#DEFINITION	Reference Metabolome for Persicaria chinensis
#IDENTTFIER	RefMeta-Persicaria chinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Persicaria chinensis
#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 Persicaria chinensis 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	1000.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06524	0.5
71.01327	0.7
71.04947	1.2
75.00896	0.5
75.08714	0.5
79.05465	1.1
79.64249	0.4
81.03419	45.8
81.03858	1.6
81.04090	1.3
83.01320	0.7
85.02850	1.9
89.03851	0.7
95.01259	0.5
97.02821	2.1
99.04459	2.4
103.94456	0.6
105.03326	1.8
107.04902	1.5
109.02878	24.3
117.03368	1.2
125.02325	0.9
127.03918	4.1
133.02843	4.6
135.04340	2.3
137.02301	0.9
143.03342	1.1
145.02800	1.9
147.04413	2.4
149.02301	1.1
151.03876	1.0
153.01843	6.2
153.02954	1.2
157.02792	0.7
161.01273	0.6
161.02330	6.1
162.03104	0.8
163.03894	12.6
165.01790	2.2
173.02327	3.5
175.03882	1.3
175.53386	0.6
175.66010	0.5
177.01768	1.3
177.05502	0.6
178.02692	0.7
179.03415	3.8
181.01280	1.3
187.03893	0.8
189.00142	0.9
189.01825	14.8
189.97542	0.4
190.02484	1.2
191.03389	14.7
193.01357	2.9
193.04904	0.6
195.02856	0.9
201.01852	4.3
203.03368	2.8
205.01282	1.7
206.02016	0.7
207.02887	13.6
208.03409	0.5
209.00797	0.8
215.03299	0.6
216.00418	0.7
217.01324	25.7
218.02116	4.9
219.02884	19.7
220.03214	0.9
221.00816	5.4
221.04373	1.5
224.03073	0.6
225.05524	0.6
229.01291	3.1
231.02928	3.2
233.04428	2.4
234.01523	1.0
235.02365	36.3
236.02939	1.3
239.01804	3.3
243.02887	0.7
245.00812	27.1
246.01335	2.3
247.02371	14.1
248.03032	0.9
249.03938	4.4
253.03383	1.4
257.00772	2.8
259.02325	1.6
261.03928	2.5
262.01175	2.6
263.01883	13.5
264.02283	0.6
271.02393	0.6
271.99509	1.2
273.00290	28.6
274.00989	4.9
275.01837	15.0
277.03409	6.0
287.01758	2.2
289.03400	3.7
291.01334	7.0
300.96378	0.7
300.99796	11.0
301.03189	0.4
302.00500	1.4
303.01349	1.1
305.02939	4.5
309.02441	0.7
315.01221	0.6
319.00809	20.9
319.04578	1.1
320.01297	0.9
325.02664	0.7
333.02444	7.0
337.01883	83.0
338.02277	3.2
351.03458	24.1
352.03717	1.1
371.04044	0.7
379.02802	0.6
427.03110	0.6
445.04025	2.1
459.05371	1.0
463.05142	2.8
477.06747	1.7
482.13403	0.5
513.78021	0.5
533.87335	0.5
553.11475	0.5
781.05066	18.1
782.05615	1.7
795.06757	6.2
813.07715	100.0
814.08069	10.9
831.07935	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	1000.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06544	0.8
71.04961	1.1
77.03898	1.2
79.01817	0.9
79.05453	1.2
81.03421	52.7
81.03861	1.8
83.01268	1.2
85.02857	2.4
89.03889	0.9
91.05452	1.1
97.02844	2.6
99.04412	1.8
105.03342	2.5
107.04882	1.8
109.02888	30.2
117.03330	2.2
119.04921	1.2
123.04430	0.7
125.02277	1.0
126.05433	0.6
127.03897	4.5
133.01974	0.5
133.02878	4.7
135.04364	2.7
137.02275	1.4
143.03369	0.9
145.02806	2.1
147.04367	2.6
151.03862	1.2
153.01836	8.9
153.02977	0.9
161.02318	6.8
162.03017	1.0
163.02715	0.9
163.03925	14.2
165.01857	3.0
173.02336	3.2
175.03851	2.2
177.01811	1.7
179.03395	4.7
181.01263	1.1
189.00153	1.1
189.01819	17.9
190.02467	1.2
191.03403	17.5
192.03665	0.8
193.01303	4.4
193.04883	0.7
195.02933	0.9
199.00316	0.5
201.01805	5.3
202.02513	0.7
203.03462	2.9
203.05043	0.6
205.01228	1.2
207.02902	17.5
209.00760	1.1
209.04424	1.0
215.03294	0.9
217.01324	28.8
218.02112	7.0
219.02887	28.6
220.03294	1.0
221.00833	6.1
221.04352	3.1
223.02226	0.8
229.01341	3.4
230.02119	0.7
231.02953	2.9
232.03653	0.7
233.04379	2.2
234.01610	1.0
235.02374	41.1
236.02724	2.3
239.01781	3.2
245.00816	28.5
246.01457	2.1
247.02373	16.4
248.02869	1.0
249.03944	4.7
257.00757	3.2
259.02286	1.2
261.03912	2.2
262.01022	2.8
263.01862	15.2
271.99417	1.4
273.00327	31.6
274.00928	4.9
275.01868	15.1
277.03433	7.2
287.01898	3.3
288.02454	1.0
289.03369	3.5
291.01382	9.5
292.01627	0.6
300.99780	11.1
302.00330	1.8
303.01392	1.5
305.02942	4.6
309.02533	0.8
315.01230	0.6
318.97235	1.3
319.00851	20.9
320.01270	1.4
333.02432	7.8
337.01895	88.2
338.02313	4.6
351.03482	27.1
352.03952	1.3
445.04144	3.0
459.05618	0.9
463.05261	2.9
477.06601	1.8
767.37378	0.7
780.06586	0.7
781.05151	22.2
782.06494	3.4
795.06714	8.5
796.07068	0.9
813.07770	100.0
814.08130	11.5
831.08899	1.1
970.11017	0.8
986.61523	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	1000.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	3.2
79.05495	43.3
79.05962	2.4
81.03461	5.9
81.07059	91.9
83.04993	6.4
83.08620	13.6
85.02907	2.8
85.06530	3.0
91.05482	52.4
93.07043	33.0
95.01362	6.7
95.04977	10.5
95.08612	28.9
97.02879	1.5
97.05922	2.2
97.06531	21.8
97.10151	3.8
98.23377	2.9
99.08082	1.9
103.05479	2.0
105.04559	1.6
105.07035	66.1
106.07388	1.5
107.04958	12.8
107.08599	18.7
109.06525	20.2
109.10152	9.9
111.08064	3.1
113.09608	1.4
115.05441	2.0
117.07023	12.0
119.08582	37.0
121.06501	5.1
121.10148	15.9
123.04407	2.0
123.08073	6.9
123.11702	4.6
125.09624	2.5
129.06978	4.1
131.08566	21.1
133.06497	2.1
133.10130	32.0
134.10541	2.0
135.08076	6.1
135.11670	7.7
137.09607	2.4
139.07539	1.5
141.06924	1.4
143.08545	3.3
145.06560	2.6
145.10130	15.9
147.08073	2.4
147.11690	21.8
149.09618	8.2
149.13257	6.7
149.28680	1.3
151.07544	1.1
151.11188	3.1
155.08527	3.3
157.10152	4.2
159.08075	1.6
159.11699	12.2
161.09619	2.2
161.13315	5.6
163.11218	5.8
165.09077	1.7
165.12776	3.4
169.10132	4.6
171.11697	3.8
173.09691	2.0
173.13307	4.6
175.11198	2.6
175.14813	1.3
177.12770	2.7
179.14282	9.7
183.11679	2.5
185.13275	1.9
187.11217	2.8
187.14806	2.0
189.12685	2.2
193.12288	1.4
219.17476	1.8
229.19507	2.0
230.93382	1.4
239.17995	2.7
247.20558	4.3
257.19040	6.3
267.16052	1.5
275.20074	80.8
276.20416	4.6
293.21063	7.3
314.50449	1.3
349.23752	64.3
350.23996	3.4
367.24802	18.9
513.36017	1.8
531.37628	1.5
543.36804	3.4
572.10773	1.2
623.43073	81.6
624.43353	7.5
641.44086	100.0
642.44342	8.6
659.45313	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	1000.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04999	6.6
73.06522	1.1
79.05492	36.2
81.03429	3.6
81.07056	58.2
83.04991	3.3
83.08605	7.8
85.02915	5.3
91.03963	2.7
91.05479	23.8
91.06015	1.8
93.07042	31.3
95.04980	6.6
95.08604	28.8
95.09165	2.0
97.02890	4.0
97.06536	3.8
97.10147	1.6
99.08063	1.6
105.04487	1.6
105.07037	17.0
107.04973	3.5
107.08588	17.7
109.06508	9.7
109.10163	9.6
111.04478	3.5
111.08063	1.9
113.09657	1.3
117.07025	7.6
119.08585	15.5
121.06522	3.1
121.10152	14.1
123.08078	4.3
123.11721	3.5
129.07025	3.4
131.08577	9.2
133.06442	1.1
133.10123	12.8
135.08107	1.8
135.11696	6.8
137.09589	1.9
143.08601	1.2
145.10136	8.3
147.08041	1.2
147.11671	9.5
149.09641	3.9
149.13229	6.3
157.06610	1.2
157.10187	2.9
159.11723	6.3
161.13229	2.3
163.05945	1.6
163.11221	3.4
163.14879	2.1
165.12790	3.2
169.10088	1.5
171.11717	1.6
173.13345	2.8
174.02277	1.1
175.11229	1.6
191.14417	1.4
191.33331	1.1
229.06285	1.3
239.03226	1.2
239.18080	1.4
247.20555	2.6
253.64503	1.2
257.19016	3.5
261.22119	3.3
265.90201	1.2
267.16055	1.4
275.20053	25.7
293.21140	3.9
307.22687	2.7
313.27380	1.4
335.25803	100.0
336.26065	3.7
349.23761	17.6
381.26382	20.6
443.24597	1.3
529.38953	3.1
535.41248	2.5
609.45129	61.1
610.45160	5.7
627.46143	12.5
641.47772	29.4
642.47821	3.0
779.83508	1.3
868.88794	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	1002.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	1.1
77.03930	1.3
79.01857	4.9
79.05502	1.8
81.03422	49.5
81.09625	0.7
83.01366	1.0
85.02913	1.8
87.04448	1.8
89.03924	2.0
91.05470	2.9
93.03395	0.7
95.04985	0.8
96.11145	1.0
97.02880	3.5
99.04441	2.1
103.05468	3.2
105.03388	1.1
107.01336	0.8
107.04947	2.4
109.02885	59.6
110.03223	1.0
115.03931	3.7
115.05417	0.9
117.03374	2.5
119.04915	3.7
119.26837	0.8
121.39414	0.6
121.86478	0.7
123.04453	1.2
125.02357	2.2
127.03912	17.9
131.04918	5.5
133.02869	3.5
135.04414	4.6
137.02348	3.3
139.03923	1.3
143.03412	3.7
143.04872	0.9
145.02869	2.3
145.06462	1.5
147.04417	13.8
151.03917	1.8
153.01830	39.5
153.02925	2.7
154.02165	1.0
157.02855	2.4
159.04419	8.5
161.02341	5.3
163.03917	18.5
165.01852	4.3
165.05481	1.2
167.03394	1.7
173.02373	3.8
173.05980	2.0
175.03905	15.9
176.04692	5.0
177.01871	3.7
177.05467	4.4
179.03360	5.7
181.01402	1.2
185.02354	1.0
187.03900	2.5
189.01836	10.7
190.02586	0.9
191.03391	26.5
192.04047	1.5
193.01332	10.6
193.04976	2.3
195.02872	1.5
201.01834	7.4
201.05591	0.8
202.02693	2.1
203.03398	57.9
204.04057	3.4
205.01283	5.8
205.04898	4.7
207.02888	12.6
209.04509	1.1
213.26839	0.8
217.01352	22.1
217.04723	3.8
218.02052	2.5
219.02908	37.1
219.06505	2.7
220.03384	3.8
221.00851	30.4
221.04358	16.6
222.01299	1.4
223.02377	4.9
229.01338	5.0
231.02893	40.7
232.03291	0.9
233.00833	9.1
233.04462	2.1
235.02390	29.9
235.05978	13.9
236.02866	1.8
237.03996	1.5
239.01889	3.1
245.00816	20.9
245.04538	1.2
246.01299	2.2
247.02391	42.0
248.02724	1.6
249.03929	14.4
250.04396	1.0
256.90723	0.8
257.00803	6.3
259.02444	6.1
261.03928	5.5
263.01898	11.7
263.05524	24.5
264.05920	1.1
265.03516	2.7
272.97318	1.4
273.00284	24.0
274.00812	2.0
275.01859	47.9
276.02130	1.4
277.03400	2.7
279.05069	1.2
289.03348	4.8
291.01331	5.2
293.03067	4.9
297.03900	0.8
300.99765	10.3
302.00357	1.0
303.01334	7.6
305.02979	1.9
307.04492	8.4
309.02448	1.2
319.00839	37.5
320.01114	1.5
321.02380	9.8
333.02335	2.0
335.00171	1.5
335.03973	17.9
337.01901	100.0
338.02145	4.7
339.03473	40.4
340.03812	1.4
341.06955	0.9
351.03650	3.7
353.05054	67.5
354.05359	2.1
396.61386	0.8
399.03412	1.1
403.02948	0.9
409.01727	0.9
427.03033	2.0
445.03989	4.6
447.05600	3.1
461.07364	1.3
463.05038	3.9
505.38217	0.9
719.04480	1.1
747.04340	2.3
765.05670	12.0
766.06305	0.8
783.06537	3.4
797.08533	5.3
815.09302	60.1
816.09497	5.3
965.92780	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	1002.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	3.9
73.02945	2.1
77.03936	1.4
79.05495	66.6
81.03422	18.7
81.07059	100.0
82.07389	1.9
83.04987	15.3
83.08617	22.9
85.02902	9.3
85.06543	4.0
91.03975	2.8
91.05484	48.5
92.05808	1.4
93.07045	56.0
95.04974	25.1
95.08610	49.7
95.14751	1.3
97.02892	5.7
97.06534	9.9
97.10175	25.7
99.04460	3.9
99.08098	3.3
100.49143	1.1
103.05479	1.2
105.03467	1.2
105.04552	2.3
105.07036	32.6
107.04961	12.5
107.07870	1.9
107.08595	35.4
109.06533	8.6
109.10158	20.4
111.04454	16.7
111.08067	9.0
113.48174	1.0
115.05481	2.7
115.70955	1.1
117.07026	17.8
119.04960	1.8
119.08582	30.9
121.06514	9.8
121.10147	22.3
123.08077	23.0
123.11716	4.7
125.05976	1.2
125.09638	20.6
127.03943	2.1
128.06239	1.7
129.07004	11.0
130.07808	1.4
130.13597	1.1
131.08560	20.3
133.06509	2.9
133.10146	15.1
135.08054	5.7
135.11713	14.9
137.09669	6.1
139.11209	2.2
141.06943	2.3
142.07791	1.2
143.08615	7.1
145.06512	1.7
145.10133	23.1
147.08069	9.4
147.11653	9.8
148.12137	1.1
149.09610	8.8
149.13284	5.3
151.07661	1.4
151.11179	2.2
153.09134	4.0
153.12737	6.3
155.08641	3.2
157.10153	7.2
159.08128	2.4
159.11702	9.7
161.09653	7.4
161.13275	4.4
163.11198	20.9
163.14807	1.5
165.09142	4.4
167.08635	1.2
169.10158	3.0
171.08038	1.3
171.10260	1.9
171.11691	4.9
173.09656	4.5
173.13306	4.3
175.11223	6.0
175.14682	1.1
177.12808	2.9
181.10098	1.6
181.12257	6.5
185.09651	1.3
185.13353	2.3
187.14803	1.7
189.11230	15.4
189.12743	1.9
191.10661	4.9
193.12296	5.8
197.13303	1.5
199.11322	1.3
223.13307	3.5
227.12807	13.6
227.17969	1.9
231.17270	1.1
237.16437	1.2
243.21144	1.2
245.13927	1.1
245.19017	4.0
249.14751	2.2
249.28709	1.3
255.17448	2.8
259.20721	2.5
261.22040	5.2
263.20285	1.9
267.15961	6.7
273.18481	26.4
275.19934	5.2
276.20593	1.3
277.21649	1.1
283.15497	2.2
291.19537	62.2
292.19983	2.6
296.27557	1.2
309.20612	10.0
317.13651	1.1
333.24237	2.2
335.25797	53.6
336.26108	1.8
347.22214	5.7
349.23761	4.5
365.23209	30.4
367.24686	1.3
383.19794	2.3
383.24298	24.4
533.39258	1.3
541.35199	4.9
559.36322	3.1
561.37079	1.4
607.43286	4.3
625.44708	35.6
626.44763	2.4
643.45728	38.9
644.46075	3.6
738.72601	1.4
791.08533	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31013	6.7
75.27826	5.4
78.67003	5.6
79.05497	51.9
81.03408	10.0
81.07050	71.8
83.04958	11.1
83.08632	8.5
91.05483	33.1
93.07038	50.9
95.04961	14.6
95.08619	26.9
97.06546	7.8
97.10168	25.3
105.07035	31.7
105.52250	7.0
107.08598	21.6
109.06494	7.4
109.10178	16.9
111.08019	6.4
117.07033	13.5
119.08560	17.5
120.02426	6.4
121.06475	7.7
121.10189	12.6
123.08037	12.3
123.29413	6.0
125.09644	16.7
128.83972	6.8
131.08568	12.2
133.10153	12.6
135.11725	8.3
145.10121	18.7
163.11169	15.0
173.35036	5.5
189.11232	16.8
227.12801	14.7
273.18494	31.4
291.19604	54.3
335.25797	100.0
347.22125	7.6
365.23331	34.9
383.24213	25.4
518.52985	6.5
625.44379	57.3
626.44995	7.9
643.45801	55.5
644.45801	8.5
731.86768	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56281	1.7
71.04986	2.7
73.02898	2.2
77.03960	1.9
79.05495	58.1
79.13810	1.8
79.73809	1.8
80.05814	2.6
81.03401	4.5
81.07059	100.0
82.07381	2.4
83.04973	9.2
83.08628	14.5
83.40479	2.2
85.02917	7.3
85.06540	3.9
86.94878	2.1
91.03973	3.2
91.05482	66.6
92.05775	2.2
93.07048	53.9
93.53722	2.0
95.04972	11.9
95.08605	44.2
97.06526	9.1
97.10168	3.3
98.23351	2.0
99.08101	3.6
100.55442	2.1
103.05468	3.0
105.07029	74.7
107.04953	10.0
107.08598	31.5
109.06538	15.2
109.10170	16.9
109.80411	1.9
111.08083	5.8
115.05444	3.7
117.07015	19.9
119.08591	47.3
120.08907	4.9
121.06488	5.2
121.10149	24.3
123.08077	6.4
123.10932	2.1
123.11674	10.0
125.09548	4.2
129.06979	10.4
131.08556	26.9
133.10133	38.0
135.08020	6.5
135.11699	15.8
137.09633	4.4
141.06960	2.2
143.08557	8.9
145.10123	25.1
147.08061	2.2
147.11688	40.5
148.12129	2.2
149.09648	8.0
149.13300	10.6
155.08531	5.3
157.10143	11.0
159.11688	22.1
161.13275	18.7
163.11179	8.0
163.14818	2.6
165.12759	3.2
167.08542	2.9
169.10075	3.9
171.11684	8.4
173.09660	2.5
173.13266	11.1
175.11162	4.5
175.14864	8.1
177.12762	3.0
183.04521	2.2
183.11768	4.8
185.13310	6.8
189.12758	2.5
197.13284	4.6
199.14803	4.4
229.79691	2.2
231.21039	4.0
239.18051	4.2
241.19537	23.2
257.19046	9.2
259.20590	52.8
273.18509	2.6
275.20062	51.9
276.20490	4.4
291.19431	2.9
293.21091	16.2
294.21555	2.8
315.23315	6.2
333.24271	86.1
334.24716	4.4
335.25748	2.1
349.23810	12.5
350.24091	3.3
351.25107	5.9
365.23483	2.7
366.56793	2.1
367.24817	55.8
368.25003	4.1
513.35956	2.4
515.38159	4.0
533.39496	6.4
543.36664	2.8
545.37518	3.8
551.41028	9.5
607.43561	25.5
608.43555	2.2
623.43097	3.1
624.42798	4.7
625.44464	54.5
626.44806	6.7
643.45288	18.4
828.78210	2.1
1002.51941	4.3
1003.51758	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	1004.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04984	0.5
71.27454	0.8
79.01871	1.8
79.05497	1.1
81.03420	42.0
82.03739	0.8
85.02927	1.7
85.72110	0.5
86.28725	0.5
89.03929	0.8
91.05502	0.6
95.01337	0.5
96.67547	0.4
97.02882	2.4
99.04483	2.0
101.02304	0.5
103.05495	0.6
107.04985	1.1
108.04506	2.0
109.02881	25.6
109.44801	0.6
110.03230	0.7
117.03416	1.4
119.01349	1.0
119.05006	0.9
123.00786	0.7
123.04459	0.7
125.02396	0.8
126.05509	0.9
127.03910	7.0
131.04962	0.5
133.02893	1.2
135.04462	1.1
137.02388	1.3
139.03915	0.7
143.03416	0.8
145.02879	1.6
147.00798	1.2
147.04405	4.9
149.02342	0.8
151.00328	1.5
151.03889	0.7
153.01830	9.8
153.02907	0.8
157.02855	1.3
159.04562	0.6
161.02330	0.6
163.03912	10.8
163.05179	0.9
165.01797	5.0
167.03423	0.6
173.02403	1.7
175.00345	1.1
175.03900	3.7
177.01820	4.3
178.02579	0.5
179.03410	2.9
181.01329	0.9
181.05081	1.4
185.02386	1.0
187.03914	1.4
189.01793	0.8
190.02559	0.5
191.03398	26.5
192.03859	1.5
193.01326	12.1
193.05089	1.6
194.01930	0.6
195.03014	0.8
195.31949	0.6
197.04572	0.7
201.01822	4.0
202.02527	0.8
203.03389	16.7
204.03795	0.6
205.01303	3.8
205.04968	0.9
207.02878	6.2
209.04388	0.6
211.02444	0.8
213.01929	1.0
215.03473	1.4
217.01387	1.4
218.02147	2.5
219.02887	34.3
220.03424	1.8
221.00822	48.2
221.04465	2.1
222.01283	2.1
223.02484	2.1
225.04010	0.7
229.01324	3.5
231.02893	13.4
232.03285	1.0
233.00809	11.5
233.04424	1.2
234.01070	0.6
235.02386	29.3
236.02748	1.6
237.04083	1.5
238.01096	6.7
239.01843	11.1
239.04128	0.6
240.02536	0.6
241.01382	0.8
245.00887	1.2
245.04546	0.7
247.02385	33.6
248.02840	2.3
249.03995	2.8
253.03430	30.0
254.03706	0.6
257.00803	7.1
258.01538	1.0
259.02405	15.0
259.05066	0.9
260.02893	1.0
261.04037	3.6
263.01996	1.0
265.03629	2.2
273.00128	0.7
274.01056	0.9
275.01855	39.4
276.02356	3.5
277.03430	23.0
278.04004	1.1
279.05008	1.2
285.00269	2.4
289.03357	4.9
291.04886	0.9
293.02930	5.5
302.97842	1.0
303.01358	22.0
304.01721	0.7
307.04498	9.6
317.03091	1.0
319.01013	0.8
321.02426	9.0
335.03970	11.1
336.04413	0.5
337.02020	2.6
338.02249	1.1
339.03470	22.0
340.04047	1.1
353.05035	17.1
354.05502	1.1
383.04132	0.6
429.04788	1.1
447.05527	2.5
461.07004	0.7
465.06610	3.7
479.08368	1.5
648.52582	0.6
767.06677	1.9
785.08319	3.2
799.09528	3.4
815.09662	0.8
816.09656	1.6
817.10809	100.0
818.11383	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44579	2.0
71.04981	1.5
79.01859	10.1
79.05491	2.1
81.03419	65.0
82.03753	2.1
83.01337	1.1
85.02901	2.3
87.23175	0.8
89.03930	1.6
91.05482	3.6
95.05010	1.0
97.02908	5.3
99.04464	4.1
103.05474	3.8
105.03423	1.0
107.01330	2.2
107.04967	3.3
108.04486	1.6
109.02883	61.6
110.03211	1.8
115.03933	1.1
115.05501	1.2
117.03421	0.8
119.01311	1.8
119.04969	4.3
121.02855	1.1
121.06535	1.2
123.00745	1.4
125.02370	5.0
127.03919	49.3
128.04234	0.9
129.03355	1.2
131.04924	6.5
133.02850	1.5
135.04407	4.0
137.02379	3.2
141.01849	1.7
143.03410	6.5
145.02834	2.7
147.00778	1.9
147.04411	21.6
149.02330	2.5
151.00310	2.1
151.03894	1.6
153.01836	80.3
153.02928	5.4
154.02171	2.0
157.02902	2.4
159.04398	8.9
161.02411	1.5
163.03902	16.7
164.59738	0.9
165.01840	11.6
165.05499	1.5
173.02391	4.6
175.00366	1.0
175.03905	25.6
176.04462	1.4
177.01884	6.2
177.05478	5.0
179.03386	7.8
181.01350	3.0
181.05014	2.6
185.02388	1.6
187.03934	3.0
189.01851	2.2
191.03404	46.6
192.00587	3.4
192.03714	1.5
193.01350	25.0
193.04953	8.0
199.04015	1.0
199.05792	1.1
201.01843	9.2
202.02544	1.8
203.03401	64.2
204.03732	2.0
205.01361	7.8
205.05002	4.9
207.02885	15.6
209.00916	2.6
209.04446	0.9
213.01814	1.2
215.03355	1.3
217.01323	4.0
218.02095	7.3
219.02893	59.8
220.03319	3.6
221.00836	100.0
221.04297	28.1
222.01230	2.9
223.02477	5.3
229.01237	6.7
231.02884	40.3
232.03322	1.9
233.00850	18.4
233.04335	5.2
235.02376	55.0
235.06099	2.5
236.02722	3.1
237.03984	1.5
238.01097	7.6
239.01860	27.0
241.01411	0.9
245.00761	2.1
245.04370	1.0
246.01442	1.5
247.02388	63.4
248.02751	2.4
249.03941	22.5
250.04385	1.2
253.00792	1.8
253.03458	27.2
254.03711	1.7
257.00842	12.8
259.02377	12.1
261.03976	7.8
263.01959	1.4
263.05475	3.5
265.03439	7.2
273.00409	1.8
273.03882	1.4
275.01871	86.7
276.02328	3.9
277.03406	14.0
279.05051	1.8
285.00259	3.3
289.03433	14.5
291.01321	1.6
291.04907	1.8
293.02884	16.0
303.01349	26.6
303.04633	1.8
304.01431	2.1
305.02673	1.5
307.04535	10.3
315.04941	1.2
317.02835	2.2
319.00836	2.2
321.02417	67.8
322.02811	2.6
335.03958	20.2
337.01843	3.2
338.02072	1.2
339.03458	72.5
340.03772	2.7
343.04660	1.5
349.22275	1.1
351.03424	1.5
352.06848	1.7
353.05048	68.3
354.05386	2.9
363.03632	1.4
373.05579	1.1
381.04984	1.1
401.04953	1.7
411.03247	1.4
419.06064	2.8
429.04416	3.5
433.07648	1.8
443.05975	2.5
447.05609	10.4
461.07028	4.6
465.06610	6.1
478.77023	0.9
479.08310	5.3
519.07593	3.0
757.08002	2.0
767.07556	1.8
785.08038	6.3
799.09723	5.2
815.08655	1.6
816.08734	2.1
817.10846	77.6
818.11096	9.3
966.32593	1.0
1004.01398	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	1004.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98243	0.1
76.49559	0.1
78.04722	0.2
81.03434	0.7
85.02908	0.1
89.03925	3.3
91.05484	10.8
92.05818	0.2
98.22673	0.1
106.04170	0.2
109.02882	2.1
117.03383	8.1
118.03737	0.2
119.04948	21.1
120.05286	0.5
127.03913	0.4
134.03616	0.5
135.04451	0.4
140.23982	0.1
140.43500	0.1
145.02856	18.6
146.03210	0.4
147.04414	100.0
148.04758	2.9
149.05983	2.6
163.03915	0.2
164.82379	0.1
177.05473	38.9
178.05809	1.0
179.03336	0.2
186.05522	0.3
229.08614	0.5
259.09616	0.5
273.07584	1.5
278.92163	0.1
303.08694	0.6
321.09625	0.4
339.10648	0.4
419.11185	0.9
449.12180	0.7
493.98242	0.1
562.71484	0.1
631.18372	0.9
784.90344	0.1
786.73419	0.1
968.99298	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	1004.318
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55583	0.4
78.15548	0.2
81.03437	0.5
89.03918	3.3
91.05480	11.9
92.05813	0.2
95.04932	0.1
106.04166	0.2
109.02878	2.1
110.60433	0.1
117.03382	7.7
119.04945	21.6
120.05312	0.5
127.03916	0.3
134.03609	0.7
135.04410	0.6
137.05894	0.1
145.02849	16.7
146.03201	0.4
147.04410	100.0
148.04773	2.4
149.05981	2.3
177.05467	34.2
178.05812	0.9
186.05565	0.3
194.36389	0.2
220.27644	0.1
229.08549	0.2
259.09589	0.7
271.91080	0.1
273.07608	1.2
285.07590	0.3
303.08600	0.6
319.45209	0.1
321.09775	0.2
333.86414	0.1
339.10574	0.2
419.11404	0.8
449.12302	0.3
631.17560	0.6
908.68024	0.2
995.06738	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	1004.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47337	0.4
78.04732	0.3
81.03423	1.3
89.03917	4.4
91.05482	10.3
92.05807	0.3
95.04982	0.2
97.02882	0.2
99.04467	0.4
103.05476	0.2
106.04150	0.3
109.02879	3.2
117.03380	10.0
119.04943	20.7
120.05279	0.5
127.03913	3.7
130.60710	0.2
134.03633	0.8
135.04402	0.6
137.05933	0.2
145.02849	24.5
146.03203	0.5
147.04410	100.0
148.04744	2.4
149.05997	2.9
158.05949	0.2
163.03905	0.2
177.05469	47.1
178.05746	1.0
179.03386	0.4
186.05519	0.5
219.29160	0.2
229.08653	0.9
255.06566	0.6
273.07584	10.4
274.07776	0.4
321.09592	0.2
339.10684	0.3
449.12149	0.5
455.07306	0.3
455.13364	3.5
497.14346	0.4
515.15027	0.3
608.13892	0.2
631.17871	0.2
709.20374	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	1005.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.5
71.05015	0.6
71.28017	0.5
73.02921	2.2
79.05495	4.0
81.03426	1.8
81.07059	6.9
81.07510	0.4
83.01355	0.4
83.04995	0.7
83.08640	0.8
83.85985	0.4
85.02908	3.1
91.03960	2.3
91.05477	4.4
92.05796	0.4
93.07043	4.2
93.07533	0.3
94.07437	0.5
95.05007	1.1
95.08615	4.7
95.09174	0.5
96.08952	0.4
97.02902	4.3
97.06579	1.1
97.10184	0.5
99.04469	0.7
101.02410	1.3
105.04546	0.4
105.07047	3.9
105.07685	0.4
107.04988	0.9
107.08603	2.6
109.02876	0.4
109.06557	1.1
109.10163	2.5
110.10533	0.4
117.07043	1.0
119.08585	2.7
121.06518	0.7
121.10165	2.1
123.08112	0.7
123.11736	0.6
125.09615	0.3
127.03980	1.3
129.07047	0.6
131.08638	1.3
133.10150	2.2
135.08044	0.4
135.11740	1.1
137.09721	0.7
143.08591	0.4
143.39426	0.4
145.05038	0.3
145.10194	1.4
147.11754	1.1
149.09660	0.7
149.13292	0.7
157.04857	0.4
159.11771	0.8
161.13284	0.5
173.11795	0.4
173.13303	0.4
177.12776	0.4
185.04260	0.9
187.14920	0.4
198.21988	0.3
201.03824	0.4
203.05440	0.5
229.14343	0.7
243.08359	2.6
259.07916	0.4
262.22668	0.5
269.17755	0.4
275.20123	2.0
303.77435	0.3
313.09103	0.5
315.19406	2.0
333.20197	0.7
335.25797	3.7
335.29016	0.3
336.26071	1.8
347.09610	2.4
349.23938	0.9
350.24014	0.5
360.57245	0.4
363.09201	1.0
365.10800	0.9
367.24963	0.5
371.17407	0.4
371.22144	0.9
389.23264	0.8
399.03961	0.4
405.13690	6.5
423.19846	0.6
465.21634	0.3
481.20407	0.7
489.36212	0.8
490.36441	0.7
529.39099	1.3
530.39636	1.3
533.27362	6.0
534.27930	0.6
551.28162	4.7
552.28473	0.4
585.25385	1.0
609.45288	0.6
610.36725	0.4
610.44897	1.5
627.46118	0.4
628.46588	1.0
647.34558	0.5
695.32617	5.2
696.33368	0.5
713.33301	5.0
714.34009	0.5
843.49158	1.6
1005.53955	100.0
1006.54205	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90504	1.2
79.01875	1.5
79.05501	1.3
81.03419	39.9
82.03757	0.8
85.02915	1.3
91.05509	1.0
97.02927	1.1
99.04488	2.4
101.41750	0.7
105.03436	1.0
107.05005	1.5
109.02888	23.7
113.02396	0.8
117.03383	0.9
119.04964	1.6
123.00786	0.7
125.02341	1.0
127.03931	5.1
133.02815	1.5
135.04483	1.4
137.02376	2.8
141.01869	0.8
145.02905	1.8
147.04428	7.5
153.01830	11.0
153.02940	1.0
157.02870	1.1
159.04485	0.6
161.02399	2.2
163.03912	12.1
163.05182	0.9
164.04395	0.9
165.01837	6.4
165.05556	1.0
173.02342	1.6
175.03941	5.3
177.01889	3.2
179.03511	3.0
181.01318	3.4
183.02899	0.7
187.03975	1.2
189.01831	5.1
191.03395	25.4
192.00635	2.1
193.01331	12.8
193.05020	2.3
195.02943	1.5
201.01746	3.6
201.25587	0.6
203.03407	17.1
205.01291	3.5
205.05086	1.2
207.02914	7.7
209.00945	1.1
209.04536	1.1
215.03540	1.1
217.01343	7.6
218.02124	1.2
219.02896	38.4
220.03271	1.6
221.00833	49.8
221.04523	3.0
222.01201	3.3
223.02670	1.4
229.01404	2.5
231.02905	9.9
232.03352	0.7
233.00856	7.3
235.02383	17.7
236.02893	1.2
237.03925	1.4
239.01875	19.3
239.04178	1.2
240.02454	1.0
245.00905	7.9
246.01482	0.7
247.02393	33.8
248.02812	1.9
249.03891	3.3
257.00821	4.0
259.02383	9.5
259.04663	0.8
260.02734	1.2
261.03937	0.6
263.01877	5.6
265.03433	8.4
273.00299	9.2
274.00891	1.0
275.01871	39.1
276.02356	2.9
277.03391	11.4
278.03790	1.6
285.00415	0.9
291.01221	3.4
293.02942	10.7
300.99884	3.9
302.00705	1.0
303.01389	10.0
303.04593	0.9
304.01758	1.4
305.02695	1.2
311.04105	2.4
319.00845	6.9
321.02399	10.3
322.02823	0.7
337.01895	39.0
338.02325	1.9
339.03464	15.5
340.03806	1.1
353.05179	1.6
355.03043	0.8
357.04504	5.9
368.51529	0.7
395.43784	0.8
429.04739	0.8
445.03995	1.3
447.05969	1.1
455.32825	0.7
463.05334	2.1
465.06799	1.4
535.00940	0.8
553.54761	0.8
765.04919	1.0
783.07172	5.8
784.06537	0.9
801.07813	23.2
802.08441	2.1
818.10742	2.6
819.08966	100.0
820.09326	10.3
1036.62634	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	1006.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03738	1.3
71.04993	3.8
71.29888	1.1
71.72066	0.8
79.01860	1.3
81.03421	71.2
82.03737	1.2
83.01343	5.8
85.02916	5.4
89.03923	1.2
91.05484	2.0
97.02879	7.7
99.04454	12.5
99.92828	0.9
101.02354	1.4
105.03397	1.2
107.04982	2.6
109.02885	20.7
111.04453	1.1
117.03374	1.4
117.69897	1.1
119.04962	1.2
123.04424	1.8
127.03917	32.3
133.02855	4.1
135.04376	2.6
137.02353	4.6
139.03899	3.2
143.03391	1.1
145.02905	1.7
147.04422	7.4
149.02336	2.0
151.03937	1.8
153.01839	12.9
153.02965	1.5
153.81374	0.8
159.04482	1.9
161.02382	4.0
163.03908	14.6
165.01830	9.8
165.05547	1.4
167.03415	6.8
173.02351	2.8
175.03859	7.2
177.01817	4.7
179.03365	9.2
181.01283	5.1
183.02899	8.4
185.02321	1.6
187.03925	1.3
189.01823	11.4
191.03395	29.9
193.01323	13.5
193.05011	2.6
195.02917	6.3
201.01793	4.7
203.03397	42.6
204.03825	1.6
205.01353	4.1
205.04979	4.2
207.02887	18.4
209.04535	1.5
211.02412	4.2
217.01318	20.4
218.01949	1.8
219.02879	60.4
220.03299	2.6
221.00827	14.7
221.04379	4.8
223.02304	7.6
229.01334	3.2
231.02876	12.8
233.00772	7.7
235.02371	46.9
236.02849	2.5
239.01849	5.6
245.00838	17.8
247.02388	76.6
248.02730	3.5
249.03903	9.6
251.01924	1.2
257.00885	3.3
259.02393	3.5
263.01892	17.1
265.03409	8.0
273.00296	18.7
274.00754	1.2
275.01874	37.8
276.02216	2.1
277.03409	3.3
291.01355	12.2
293.02917	36.0
294.03329	1.2
300.99789	8.4
302.00299	1.5
303.01364	7.2
309.02457	1.4
319.00827	21.7
321.02417	17.5
337.01889	66.0
338.02206	2.7
339.03473	80.4
340.03824	2.4
357.04498	5.5
417.04489	2.1
435.05170	1.4
445.04068	16.4
463.05063	100.0
464.05249	6.6
465.06409	2.3
481.06128	31.6
482.06509	2.2
483.07828	2.5
581.07745	4.5
737.05817	2.5
755.06305	3.3
755.20044	1.3
765.04388	1.1
783.05994	4.0
801.07928	10.5
819.08911	28.0
820.08691	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	1007.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	0.4
71.04995	0.3
73.02919	2.2
79.05493	1.9
81.03405	1.2
81.07065	2.3
83.04969	0.3
83.08609	0.6
85.02906	3.7
87.04480	0.3
91.03966	1.5
91.05470	1.4
93.07031	1.9
95.04997	0.6
95.08618	1.4
97.02895	3.9
97.10184	0.7
98.22577	0.7
99.04485	0.3
101.02398	0.9
105.07059	0.9
107.04974	0.4
107.08614	1.1
109.02886	0.4
109.10173	0.7
109.63319	0.2
111.04421	0.3
112.21905	0.2
115.03945	0.2
117.07002	0.7
119.08621	0.9
121.06540	0.5
121.10174	0.8
123.08088	0.3
125.09621	0.3
127.03937	0.9
129.07072	0.2
131.08578	0.7
133.10088	0.6
135.11713	0.4
145.10164	0.4
147.11668	0.3
163.11195	0.3
175.11162	0.3
185.04286	1.0
201.03766	0.5
203.05334	0.6
237.43921	0.3
243.08420	2.3
301.08914	0.4
313.09061	0.3
326.11398	0.2
347.09531	2.1
349.20038	0.9
363.08948	0.8
365.10632	0.6
405.13651	4.9
405.22385	0.5
451.19827	0.4
463.14270	0.5
468.51630	0.2
497.20230	0.3
501.23535	0.5
519.29248	2.8
520.29602	0.3
531.20837	0.3
533.27820	0.3
567.27594	3.0
613.24854	0.5
681.34460	4.3
682.34930	0.4
689.04663	0.3
729.32825	4.1
753.36963	0.5
845.50635	1.1
846.50421	0.3
1007.55530	100.0
1008.55750	14.7
1021.01685	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	1007.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97546	0.7
73.02936	2.0
77.07882	0.6
79.05522	1.9
79.90447	0.6
81.03413	1.2
81.07072	2.5
85.02902	4.3
91.03974	2.5
91.05474	1.3
93.07047	1.6
95.08636	1.7
97.02911	4.9
98.22548	1.4
101.02403	1.2
107.08616	1.3
109.02916	1.3
109.88649	0.5
119.08672	0.8
121.10141	1.0
127.03922	0.9
131.08601	0.8
141.36253	0.6
145.04942	0.9
154.23979	0.7
185.04236	1.1
236.56052	0.6
243.08623	1.7
250.34541	0.6
347.09329	2.8
349.20001	1.4
405.13528	5.1
416.61041	0.6
462.32111	0.8
477.16202	0.7
513.01776	0.6
519.29187	3.9
567.27887	1.8
681.34631	8.6
729.33209	2.6
845.51160	1.3
921.48547	4.5
1007.55414	100.0
1008.55573	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	1007.554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01359	0.3
71.05003	0.3
73.02924	2.2
79.05498	1.9
79.16245	0.2
81.03429	0.9
81.07070	2.9
83.04981	0.2
83.08631	0.3
85.02909	3.0
85.51123	0.2
91.03964	1.2
91.05478	2.3
93.07056	2.0
95.04984	0.5
95.08614	1.2
97.02899	3.8
97.03511	0.3
97.06578	0.3
97.10175	0.3
99.04490	0.4
101.02376	0.9
105.07037	1.9
107.04939	0.2
107.08575	0.9
107.56337	0.2
109.02914	0.7
109.06593	0.3
109.10181	0.4
115.04011	0.2
117.07032	0.4
119.08572	1.0
121.06535	0.5
121.10192	0.8
123.08167	0.2
123.11713	0.2
127.03956	0.7
129.05501	0.3
129.07018	0.3
131.08575	0.5
133.10141	0.9
135.11728	0.5
143.08607	0.4
145.05040	0.2
145.10149	0.4
147.11766	0.8
149.09723	0.2
149.13272	0.2
153.01843	0.5
157.10197	0.2
159.11772	0.4
161.13301	0.2
163.11156	0.2
171.11763	0.2
173.13327	0.3
185.04202	0.9
201.03804	0.7
203.05341	0.8
243.08398	2.0
243.10640	0.2
252.75557	0.2
259.08020	0.4
259.20593	0.2
275.20163	0.5
299.19165	0.2
301.09012	0.8
311.47275	0.2
313.09161	0.6
315.10474	0.3
319.10153	0.2
322.63864	0.2
326.40747	0.2
329.08560	0.2
333.20447	1.5
347.09482	2.6
355.13394	0.2
355.78485	0.2
363.09073	1.4
365.10767	0.6
369.15616	0.2
373.23755	0.4
389.23132	0.4
405.13712	6.2
406.14276	0.3
423.20245	0.5
431.24231	0.2
463.14197	1.0
465.21243	0.7
475.14243	0.4
477.15894	0.4
481.20554	0.3
489.15616	0.2
503.17715	0.3
531.20789	0.4
533.22205	0.3
535.28790	2.8
536.28882	0.2
547.23553	0.3
551.28204	3.7
559.23975	0.5
585.25354	1.0
599.26483	0.3
607.31659	0.2
623.29895	0.2
627.26251	0.4
643.25226	0.2
645.27795	0.2
697.34015	5.6
698.34674	0.5
707.38867	0.2
713.33594	4.4
714.34271	0.6
717.42499	0.2
785.35974	0.7
845.50287	1.2
855.42987	0.2
937.47589	0.4
1005.47894	0.2
1007.55396	100.0
1008.55682	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	1009.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03819	1.2
91.05377	2.8
94.75298	0.2
98.22655	0.2
117.03378	2.6
118.03638	0.2
119.04942	4.3
120.05213	0.2
128.24323	0.1
130.04500	0.2
135.04276	0.2
142.64377	0.1
145.02846	5.4
146.03188	0.3
147.04414	13.3
147.05490	0.4
148.04738	1.0
149.02115	1.0
149.04901	0.4
149.05884	0.7
156.14177	0.2
169.02617	6.0
170.02844	0.2
177.05476	8.1
178.05801	0.9
179.05844	0.3
186.53262	0.2
187.03664	2.8
199.03679	5.2
203.63980	0.2
217.04791	0.9
218.05522	0.2
241.04509	0.2
259.05588	0.4
271.05753	0.3
313.06827	5.1
326.09360	0.2
331.07892	1.6
333.07245	0.2
343.07828	0.9
361.08878	0.3
363.08447	1.0
405.09445	0.2
435.10474	1.0
459.10471	0.7
477.11819	1.0
489.11652	0.8
495.12714	1.2
507.12717	0.5
525.13953	0.3
555.73846	0.2
653.16217	2.8
671.17340	60.9
672.17584	4.0
672.28772	0.3
754.55579	0.2
1009.27338	100.0
1010.27570	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	1009.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07514	0.8
89.03900	0.6
91.05472	2.6
95.97923	0.4
117.03388	1.1
119.04936	4.6
138.61952	0.4
145.02849	4.1
147.04419	13.3
148.04768	0.9
149.02121	1.1
169.02623	7.2
177.05475	4.0
185.94856	0.5
187.03671	5.1
199.03658	2.5
203.64113	0.5
217.04842	1.6
222.34412	0.5
236.62202	0.5
258.58929	0.4
289.06915	0.7
313.03745	0.5
313.06729	2.4
331.08011	0.6
343.07953	3.0
489.11624	0.7
495.12762	0.8
502.18253	0.7
507.12982	1.3
525.13800	1.2
650.61279	0.5
653.16510	1.7
671.17383	56.2
672.17706	4.5
754.93079	0.5
825.01605	0.6
847.23016	0.5
1009.27350	100.0
1010.27521	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	1009.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90278	1.3
89.03935	1.0
91.05488	3.1
91.85088	0.5
97.93082	0.5
117.03420	1.7
119.04955	5.3
141.16737	0.5
145.02864	4.2
147.04416	15.3
148.04791	0.9
149.02103	0.8
154.10696	0.5
169.02588	4.7
175.03481	0.6
177.05453	5.3
187.03677	4.8
199.03687	2.9
203.64186	0.7
217.04872	1.8
259.05966	0.7
313.06891	4.4
343.07864	2.9
361.09186	0.8
405.09650	1.0
435.10742	1.2
477.11777	1.5
489.11371	0.7
495.12741	2.0
507.13098	1.1
525.13715	0.7
555.15100	1.1
653.16394	1.0
671.17346	63.9
672.17834	5.7
1009.27350	100.0
1010.27710	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72358	1.6
55.05511	3.0
56.05043	11.6
59.40964	1.8
60.04522	4.1
71.15545	3.1
74.02429	3.0
74.06095	4.8
84.08133	11.2
97.00795	3.3
101.00881	20.1
101.01898	1.7
101.02608	3.1
101.07932	2.8
102.00969	2.6
102.02225	2.5
102.05540	3.8
102.09173	5.1
107.20765	1.6
119.01926	100.0
119.11347	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	1014.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04945	1.5
77.03887	0.9
79.01813	1.4
79.05447	0.9
80.69517	0.6
81.03421	49.5
81.03858	2.2
82.03698	0.8
83.01300	0.6
85.02912	5.2
91.05416	0.8
95.01300	0.7
97.02824	2.6
98.22644	1.3
99.04383	1.9
105.03343	1.7
107.04929	1.5
109.02883	26.0
117.03308	1.7
118.05525	0.5
125.02299	0.7
127.03935	3.7
131.04857	0.9
133.02843	4.0
135.04332	1.2
137.02255	1.1
145.02812	1.2
147.04373	1.6
149.02322	0.7
151.03877	1.4
153.01831	6.7
159.04309	0.7
161.02332	6.0
162.03110	1.4
163.03922	10.4
165.01797	1.5
173.02386	2.8
175.00380	0.7
175.03838	1.6
177.01692	0.8
177.05415	1.2
178.02551	0.7
179.03394	4.1
181.01295	1.3
187.03911	1.3
189.00166	0.8
189.01822	14.3
190.02480	2.2
191.01846	0.9
191.03409	13.2
193.01259	2.2
193.04883	0.9
201.01857	3.7
203.03415	3.2
205.01289	1.2
205.04912	1.1
206.02023	1.4
207.02872	11.9
209.00783	0.7
215.03310	1.9
216.00450	0.8
217.01331	25.9
218.02078	13.7
219.02896	19.4
221.00887	4.7
221.04388	2.5
223.02338	1.0
224.03108	1.3
229.01297	3.8
231.02846	4.0
233.00970	0.7
233.04424	4.5
234.01523	1.9
235.02376	35.9
236.02715	1.9
238.01093	0.8
239.01846	4.5
243.02841	1.3
244.00159	0.8
245.00824	22.1
246.01311	2.5
247.02377	11.2
248.03024	1.5
249.03983	10.2
250.04272	0.6
253.03412	1.9
257.00809	1.7
259.02399	2.8
261.04001	6.4
262.01093	4.8
263.01877	11.6
271.02322	2.8
271.99582	0.9
273.00305	24.4
274.01068	10.1
275.01849	9.9
276.02338	0.8
277.03412	12.8
287.01956	5.0
288.02545	1.3
289.03400	9.1
290.03516	0.7
291.01331	5.5
300.99857	8.5
301.03107	1.1
302.00366	0.9
303.01312	0.7
304.02087	0.9
305.02954	9.2
309.02466	0.8
315.01297	1.7
319.00861	20.0
319.04492	1.5
320.01120	0.9
323.04010	0.6
333.02414	13.9
351.03464	100.0
352.03891	3.6
365.05762	0.7
445.04004	1.2
459.05679	2.1
477.06577	3.3
685.81921	0.6
795.06635	27.9
796.06885	2.0
809.08118	10.6
810.08398	1.2
827.09332	83.8
828.09436	8.1
845.10284	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	1014.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33435	1.0
70.37492	0.5
71.04992	1.5
73.02915	0.6
74.00645	0.6
75.90708	0.5
76.02229	45.1
76.04005	1.7
79.05498	7.8
80.05012	1.4
81.03419	45.2
81.07057	6.5
82.03757	1.3
83.04974	3.0
83.06097	0.7
83.08615	8.4
84.04506	11.9
85.02895	1.2
85.04021	1.3
86.99058	2.6
88.02226	0.9
90.20377	0.6
91.05485	12.1
93.07040	5.5
95.04362	0.8
95.04970	14.1
95.08589	2.3
97.02913	1.9
97.06535	1.3
97.10165	1.8
99.08099	0.7
100.02179	0.6
102.05612	0.9
105.07037	8.5
107.04961	3.6
107.08602	2.8
109.06520	2.5
109.10149	1.3
111.08070	4.2
115.05500	0.9
116.01677	12.9
117.07011	1.9
119.08580	6.9
121.06496	2.5
121.10147	4.2
123.04410	1.0
123.08061	1.6
125.09607	1.1
129.07033	4.7
130.05017	9.1
131.08551	4.7
133.06503	1.8
133.10147	3.0
137.09633	1.2
142.03235	6.6
142.07756	1.5
144.01151	8.3
145.06195	0.8
145.10193	0.8
147.08047	1.8
147.11717	4.1
149.09613	3.2
157.10143	7.1
162.02205	25.4
163.11182	1.0
165.12852	1.4
170.02710	1.9
171.11671	0.7
175.11201	5.6
175.79163	0.6
177.03328	3.5
179.04854	46.9
180.05324	0.6
185.03880	1.1
187.05354	2.2
189.11247	0.8
193.12250	17.4
199.05417	0.6
211.13283	1.8
215.04892	2.2
216.03114	0.7
219.13936	0.9
223.04369	0.5
233.05916	13.5
245.05872	3.0
249.14803	0.9
267.15915	63.2
268.16394	2.3
290.08060	0.9
291.06436	1.7
308.09103	100.0
309.09341	3.5
309.16980	0.8
316.35168	0.5
337.67401	0.6
349.21268	0.7
367.22925	0.7
385.23950	3.7
411.19672	0.6
441.26352	0.7
459.27435	28.6
460.27756	2.2
470.14386	0.9
477.28577	6.3
491.30008	0.7
501.28317	1.6
552.30072	0.8
567.28711	0.7
627.25922	0.7
691.32629	0.7
766.35016	1.1
784.37067	3.2
785.38776	0.6
946.41748	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	1016.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01851	0.9
79.05468	0.8
81.03421	38.0
83.48779	0.8
85.02909	4.0
91.05527	1.1
95.84818	0.8
97.02905	1.5
97.76376	0.8
98.22629	1.4
99.04454	1.5
107.04971	1.3
109.02118	1.5
109.02880	25.6
117.03381	1.4
121.06525	1.4
125.02402	1.0
127.03931	5.0
133.02884	1.8
135.04388	1.1
137.02338	1.8
143.03365	1.3
145.02840	1.3
147.00754	1.0
147.04456	3.0
151.00339	1.1
153.01820	12.1
153.02930	1.8
161.02406	2.8
163.03931	8.6
165.01820	4.0
173.02420	1.8
175.03888	2.3
177.01883	2.7
177.05505	1.1
179.03380	4.3
181.01328	1.4
189.01825	3.5
190.02512	1.2
191.03395	18.2
192.00720	1.0
192.04108	0.8
193.01337	9.9
193.04913	0.8
201.01859	6.3
203.03401	10.0
205.01393	3.6
207.02895	8.9
215.03366	1.8
217.01384	7.6
218.02112	7.8
219.02878	28.3
220.03258	0.9
221.00815	40.5
221.04268	2.0
223.02351	1.7
229.01305	2.3
231.02907	8.9
232.03789	1.0
233.00856	6.7
233.04520	3.5
235.02374	47.1
236.02872	1.3
238.01152	5.4
239.01906	13.4
243.02837	0.9
245.00824	9.4
246.01544	1.8
247.02385	22.7
248.03044	1.1
249.03970	3.5
253.03459	24.6
257.00870	6.8
259.02386	4.4
261.04001	6.2
262.01053	2.0
263.01938	6.3
265.03442	1.2
271.02603	1.5
273.00345	9.8
274.00967	4.5
275.01865	30.4
276.02554	1.7
277.03433	7.5
279.05087	1.3
285.00287	1.9
287.01904	2.5
289.03412	13.9
291.01273	4.2
291.05099	1.3
293.02881	3.1
300.99881	2.4
302.00534	1.0
303.01373	8.5
305.02924	3.8
307.04550	5.7
317.02911	2.3
319.00867	9.1
321.02316	5.2
333.02380	6.2
335.03955	13.1
351.03500	28.6
353.05020	28.9
354.05310	1.6
438.29938	0.9
445.03821	2.1
459.05850	1.4
477.06393	4.5
723.08289	1.7
765.05664	1.1
769.08246	2.1
779.07385	1.9
797.08148	10.9
811.09027	2.3
829.10919	100.0
830.11151	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	1016.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	1.0
78.11404	0.9
79.01849	1.1
79.05483	1.1
81.03420	58.7
82.03772	0.9
85.02902	1.4
85.71595	0.8
89.03941	1.4
91.05485	1.5
95.04983	0.9
97.02892	2.5
98.22682	1.5
99.04479	3.1
103.05495	1.0
105.03422	1.2
106.53838	0.7
107.01347	0.8
107.04956	1.9
109.02883	33.8
117.03403	1.1
119.01309	1.6
119.04964	1.1
127.03917	10.4
130.08514	0.8
131.04875	1.4
133.02853	3.5
135.04425	2.4
137.02348	1.8
141.01851	1.2
143.03401	1.9
147.04446	3.8
149.02385	2.0
151.00349	1.1
153.01825	11.2
153.02940	1.3
161.02324	4.2
163.03909	15.7
165.01822	6.6
173.02362	3.4
175.00334	1.3
175.03929	2.1
177.01877	3.8
177.05528	1.0
179.03494	4.2
180.00021	0.9
181.01291	1.9
187.03976	1.3
189.01849	8.6
190.02527	2.1
191.03400	26.2
192.00560	1.1
193.01318	13.2
201.01813	10.6
203.03394	11.4
205.01332	4.8
205.05086	2.2
207.02888	12.1
209.00839	1.6
217.01331	18.7
218.02087	9.1
219.02887	35.1
220.03212	1.5
221.00816	75.8
221.04393	2.6
222.01221	2.3
223.02452	2.6
224.03299	1.2
229.01343	4.6
231.02892	9.4
233.00824	13.0
233.04396	7.5
234.01353	1.5
235.02374	47.3
236.02869	1.2
237.03935	1.6
238.01056	4.7
239.01878	19.1
243.02934	1.2
245.00815	17.1
245.04564	1.0
246.01344	1.6
247.02390	31.8
248.02875	1.7
249.03966	6.4
253.03412	17.9
257.00812	9.1
259.02466	5.8
261.03937	7.9
262.01102	3.6
263.01886	9.9
265.03369	2.4
271.99576	1.4
273.00299	18.9
274.00998	1.7
275.01859	48.0
276.02438	2.4
277.03436	12.1
285.00385	4.3
287.01862	2.9
289.03448	8.2
291.01447	5.5
291.04611	1.4
293.02896	5.6
300.99823	8.4
302.00317	1.3
303.01352	14.1
305.02841	7.1
307.04550	4.6
309.02673	1.1
317.02966	2.7
319.00858	18.6
320.00891	1.2
321.02405	10.1
333.02429	13.1
335.03952	13.2
351.03476	34.7
352.03696	2.6
353.05057	46.9
354.05338	1.8
367.39365	0.9
419.05847	1.0
427.02579	0.9
433.62808	0.8
445.03909	3.8
459.05432	3.7
461.06818	2.3
477.06561	4.1
479.07831	1.5
543.53455	0.9
723.08221	1.2
737.06427	1.4
751.07648	1.9
765.05438	3.5
769.08704	2.9
779.06842	2.3
797.08289	37.8
798.08118	3.7
811.09924	14.4
812.09961	1.5
815.09882	1.2
829.10907	100.0
830.11304	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	1016.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05006	0.2
72.96104	0.1
75.02361	0.1
79.05496	0.1
81.03419	1.9
82.41189	0.1
85.02922	0.2
89.03914	1.4
91.05482	11.6
92.05807	0.2
98.23442	0.1
99.04447	0.4
103.05435	0.1
107.05019	0.1
108.20705	0.1
109.02879	2.2
117.03384	3.8
119.04944	21.6
120.05249	0.5
127.03914	2.0
134.03638	0.2
135.04352	0.3
145.02856	8.7
146.03233	0.2
147.04408	100.0
148.04741	2.3
149.05974	1.3
163.03989	0.1
169.58763	0.1
177.05469	12.7
178.05809	0.3
179.03355	0.3
180.34830	0.1
186.05547	0.2
213.07144	0.1
229.08600	0.8
229.55371	0.1
255.06575	0.1
273.07574	1.2
321.09628	0.1
363.06488	0.1
363.10764	1.5
381.11871	0.8
419.11276	1.1
420.11526	0.1
601.17035	0.4
706.69507	0.1
791.43097	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	1016.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
80.47994	0.1
81.03417	0.7
89.03913	1.0
91.05479	10.5
92.05812	0.3
95.04999	0.1
97.02876	0.1
98.16648	0.1
99.04472	0.1
109.02878	1.2
115.02544	0.1
116.93374	0.1
117.03391	2.5
117.04215	0.1
119.04944	20.6
120.05264	0.5
127.03956	0.6
134.03661	0.2
135.04442	0.2
145.02855	5.9
146.03276	0.1
147.04408	100.0
148.04745	2.9
149.06001	0.7
155.98224	0.1
170.94859	0.1
177.05469	9.1
178.05777	0.2
179.03322	0.2
229.08591	0.4
255.06476	0.2
273.07565	1.4
289.36517	0.1
315.08627	0.1
321.09744	0.2
359.62946	0.1
363.10693	0.3
381.11832	0.3
419.11252	1.3
601.16956	0.2
643.17090	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	1016.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04995	4.5
73.06561	1.2
79.05498	56.9
80.05808	1.8
81.03429	9.0
81.07059	100.0
82.07383	1.0
82.27583	1.0
82.37981	1.0
83.04980	12.5
83.08631	9.2
85.02914	5.4
85.06545	5.8
87.44392	1.0
91.05485	62.8
92.05811	1.7
93.07049	43.5
95.01360	1.1
95.04971	15.9
95.08612	27.2
97.02904	2.5
97.06535	10.2
97.10172	2.4
99.08109	2.7
103.05472	2.4
105.04558	2.3
105.07034	56.9
106.07397	2.0
107.04962	12.4
107.08597	34.6
107.45154	1.1
109.02914	1.3
109.06525	21.3
109.10157	36.8
110.10462	1.6
111.08094	4.1
113.06047	2.1
115.05472	1.6
116.68436	1.0
117.07035	11.2
119.08581	26.6
120.08931	1.3
121.06510	7.3
121.10138	12.8
123.08072	9.5
123.11711	12.5
125.09633	2.6
127.07549	1.4
128.06264	1.8
129.06992	6.4
131.08580	18.3
133.06502	5.4
133.10133	57.1
134.10504	1.5
135.08026	8.0
135.11720	6.3
137.09627	3.8
137.13271	1.2
141.07050	1.4
143.08592	6.9
145.06512	1.3
145.10139	11.8
147.08090	3.9
147.11682	13.3
149.09622	12.1
149.13254	5.7
151.11191	22.3
155.08546	1.9
157.10167	7.3
159.08093	1.9
159.11670	8.5
161.09641	7.1
161.13251	2.7
163.10014	1.0
163.11157	6.7
165.12740	2.3
169.10199	1.7
169.12267	4.5
171.11736	3.5
173.09645	2.0
173.13322	3.4
175.11195	4.1
177.09123	2.7
177.12788	3.5
179.10742	1.9
179.14313	1.4
185.13252	1.8
187.11174	1.8
187.14821	1.7
189.12704	2.0
191.10736	1.4
191.14435	1.7
193.12270	2.5
195.10190	1.5
196.14839	1.0
197.13376	1.3
215.12856	3.1
223.13252	1.6
229.19582	2.1
239.17978	1.8
245.19093	1.4
247.20557	2.3
253.14352	62.3
254.14806	2.6
255.17477	3.0
257.18985	3.2
263.20084	3.0
271.15433	4.1
273.18497	19.5
274.18756	1.4
275.20068	46.3
276.20493	2.2
291.19559	19.0
292.19962	1.4
293.21194	10.9
309.20490	2.1
329.21075	1.3
347.22205	8.7
349.23749	20.9
365.23251	29.7
366.23602	2.4
367.24811	25.2
368.25137	2.0
369.27615	1.3
370.96222	1.1
383.24396	1.4
420.31616	1.2
545.26361	1.4
545.34741	28.5
546.34839	2.4
551.04950	1.1
563.35614	7.8
613.67072	1.3
621.41913	5.1
623.42456	1.5
639.42529	24.4
640.42615	1.8
657.32654	2.0
657.43573	38.8
658.43921	4.9
1017.48322	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	1016.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54380	1.4
72.65511	1.4
77.03925	1.5
79.05500	57.0
81.02490	1.4
81.03421	10.1
81.07063	88.3
82.07368	2.0
83.05006	10.8
83.08627	21.7
83.09068	2.6
85.02910	6.2
85.06540	4.0
91.03957	3.8
91.05484	57.4
93.07053	49.2
95.04977	28.4
95.08614	32.1
96.08962	2.1
97.02885	11.7
97.06534	12.1
97.10168	16.4
99.04478	2.1
99.08102	2.7
103.05473	2.4
105.07037	51.1
107.04958	18.1
107.08598	38.9
107.09289	2.5
108.05724	1.9
109.02868	1.7
109.06519	23.8
109.10168	25.6
111.04438	3.3
111.08089	4.9
115.05476	3.4
116.59497	1.4
117.07021	17.3
119.04974	1.9
119.08588	34.8
120.08965	1.6
121.06498	11.6
121.10149	18.9
123.04455	2.5
123.08069	8.6
123.11696	7.0
124.16084	1.5
125.09634	13.1
127.07580	2.9
128.06236	3.3
129.07077	9.8
131.08578	25.6
133.06491	4.5
133.10147	31.0
135.08076	9.2
135.11673	8.6
137.06056	1.7
137.09621	7.3
143.08571	7.4
145.06531	2.7
145.10123	18.9
147.08067	7.1
147.11673	17.6
148.12053	1.9
149.09654	11.1
149.13266	9.3
151.11198	8.1
155.08635	3.3
157.10152	9.5
159.08043	3.0
159.11716	12.0
161.09659	8.2
161.13300	3.8
161.14589	1.5
163.11185	13.2
163.14873	2.7
165.09114	2.6
165.12820	4.5
169.10165	3.8
171.10159	1.5
171.11710	4.3
173.09540	1.8
173.13263	5.1
175.11212	6.2
177.12782	4.2
179.14406	2.0
183.11678	2.1
185.13266	2.3
187.11209	3.0
189.11232	5.2
189.12752	2.6
191.14104	1.8
193.12186	2.1
195.13718	3.1
205.12231	3.0
223.13278	21.8
224.13641	1.8
227.12791	4.9
229.19493	3.5
239.18059	3.8
245.19031	3.5
247.20648	2.1
249.14914	3.7
251.12862	2.1
253.14342	27.5
255.17659	1.8
257.19028	6.2
263.20215	2.0
267.15988	3.8
271.15466	1.7
273.18512	26.8
275.20078	67.2
276.20447	4.2
291.19571	100.0
292.19934	6.2
293.21109	15.6
331.22717	1.9
347.22098	9.9
349.19559	2.1
349.23734	32.2
350.23950	1.7
365.23267	71.8
366.23538	4.8
367.24832	32.1
368.24887	1.5
464.04688	1.4
476.46185	1.6
502.73071	1.5
519.32947	2.8
541.34796	2.3
545.34778	4.7
559.36169	5.8
563.36279	1.9
583.39612	2.3
621.40863	4.3
639.42566	73.3
639.53326	3.7
640.43054	14.1
657.43689	58.8
658.44525	7.7
1017.53387	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	1018.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77615	1.1
71.05003	1.0
75.47495	0.5
81.03418	6.1
85.02919	3.6
85.43958	0.5
86.22254	0.5
88.98933	0.6
93.13694	0.5
93.85932	0.6
97.02904	2.7
98.45216	0.5
99.04454	4.6
109.02885	6.7
117.05508	1.3
121.06517	2.1
127.03929	5.8
147.04413	1.5
149.53835	0.5
153.01819	1.6
163.03954	1.8
165.01845	1.2
177.01897	0.6
191.03380	6.2
193.01320	2.6
193.04994	0.6
203.03358	3.0
205.01344	0.8
219.02930	7.1
220.98657	0.9
221.00819	17.6
221.04385	1.2
222.01175	1.0
223.02347	0.9
231.02798	4.1
233.00861	4.4
235.02361	0.7
239.01935	4.1
247.02402	8.8
249.03952	1.6
257.00824	1.2
259.02402	4.1
265.03549	0.8
275.01849	18.9
276.02304	0.7
277.03427	4.6
293.02896	2.4
303.01309	7.6
321.02292	3.3
339.03461	9.0
362.61319	0.7
419.38470	0.8
455.32538	0.6
465.06567	2.8
483.07693	100.0
484.08029	5.2
501.08817	1.9
517.55377	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	1018.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	2.8
72.43796	0.6
73.02904	1.1
77.03937	1.0
79.05494	41.8
81.03416	5.8
81.07057	74.6
82.07393	1.2
83.04986	9.3
83.08617	24.5
85.02909	4.4
85.06535	2.5
91.03955	1.3
91.05479	36.3
93.03377	1.0
93.07044	33.2
94.07372	0.7
95.04969	39.8
95.08605	26.8
96.05293	1.0
97.02890	2.2
97.06544	8.1
97.10171	6.3
99.04459	2.9
99.08102	2.5
103.05469	2.0
105.04506	1.1
105.07030	34.8
107.04950	15.6
107.08593	25.3
109.06520	20.3
109.10152	11.5
110.06833	1.0
111.04433	6.9
111.08093	7.6
115.05489	1.7
116.06227	0.8
117.07026	13.8
119.08583	29.2
121.06490	7.1
121.10147	17.4
123.08078	7.0
123.11713	6.1
125.09621	6.4
127.03955	1.2
127.07567	0.9
128.06187	1.0
129.07013	4.2
131.08572	17.5
133.06493	1.5
133.10135	21.6
135.08058	6.0
135.11707	9.6
137.09641	3.9
137.13219	1.3
139.11189	1.8
141.06982	1.6
142.63896	0.8
143.08588	3.5
145.06459	2.1
145.09013	1.3
145.10126	19.0
147.08044	3.9
147.11687	20.6
149.09628	20.2
149.13260	5.6
151.11188	3.2
153.12727	0.9
155.08549	2.8
157.10139	3.8
159.08072	1.1
159.11693	11.8
161.09631	1.8
161.13242	5.3
163.11172	21.3
163.14845	2.9
165.12717	6.0
169.10167	2.1
171.11653	2.7
173.09660	2.6
173.11969	1.0
173.13231	5.3
175.11197	2.8
175.14818	1.1
176.78496	0.7
177.12759	3.3
179.14340	1.4
181.12248	2.2
183.11716	2.7
185.13181	1.1
187.11235	3.1
187.14806	1.0
189.11237	6.1
189.12727	1.3
191.10707	1.7
191.14267	1.5
193.12213	2.1
195.13785	1.1
197.13290	2.1
201.12692	1.4
205.12222	2.4
207.13828	1.5
211.13278	1.0
215.14389	1.0
215.17987	0.8
223.13303	21.3
224.13544	1.2
227.12851	1.2
229.19525	3.3
239.17897	4.1
239.20224	0.8
239.22920	0.7
247.20564	4.8
257.18976	9.5
267.15854	1.6
269.17404	1.1
275.20059	90.2
276.20499	3.8
293.21106	35.6
294.21417	2.0
311.22302	1.0
331.22620	1.6
349.23730	65.1
350.24020	4.2
367.24789	100.0
368.25156	7.8
385.25809	1.3
414.28860	0.8
567.40454	1.6
623.42999	33.4
624.43414	4.6
641.44080	68.5
642.44537	7.7
659.45117	73.9
660.45538	9.8
902.47119	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	1018.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04995	4.0
77.03959	1.6
79.05496	55.0
81.03426	8.4
81.07059	95.8
83.04986	14.5
83.08621	33.6
85.02914	7.2
85.06564	4.0
91.03943	1.8
91.05482	52.1
93.07043	47.5
94.07366	1.4
95.04971	57.3
95.08612	36.0
97.02907	5.0
97.06531	11.0
97.10159	11.1
99.04461	4.1
99.08109	2.2
103.05490	3.1
105.07036	46.0
107.04955	16.6
107.08595	40.0
107.54642	1.1
109.06530	25.7
109.10152	18.5
111.04460	11.0
111.08078	9.7
111.45150	1.1
115.05464	2.8
117.07017	16.8
119.08585	34.9
120.08815	1.3
121.06512	8.9
121.10149	24.1
122.10501	1.4
123.08071	9.1
123.11727	9.4
125.09651	7.7
129.07045	6.4
131.08580	24.9
133.06519	2.8
133.10127	26.8
133.11063	2.0
135.08066	9.6
135.11705	15.4
137.09627	7.7
139.11180	3.2
141.07001	3.6
143.08574	4.8
145.06493	2.4
145.10135	28.0
147.08058	5.3
147.11679	22.8
149.09618	31.2
149.13252	7.7
149.18587	1.6
151.11208	4.0
153.09109	2.8
153.12744	2.7
155.08591	2.9
157.10100	7.3
159.11688	17.1
161.09578	2.8
161.13231	5.8
163.11188	29.3
163.14865	3.5
165.12794	10.6
169.10146	4.0
171.11687	4.5
173.09639	3.1
173.13263	6.2
175.11215	2.7
175.14902	2.0
177.12758	5.0
179.14352	1.7
181.12262	1.7
183.11731	2.3
185.13339	2.0
187.11223	4.0
187.14848	1.4
189.11230	5.8
189.12738	2.1
191.10724	2.2
191.14354	2.5
193.12267	3.2
195.13811	1.5
197.13306	3.6
199.34695	1.1
201.12775	1.7
205.12283	4.6
211.14856	1.8
215.17938	2.1
223.13287	26.3
224.13754	1.3
229.19557	5.3
237.20723	1.4
239.17903	6.7
247.20604	5.3
257.18997	12.4
267.16098	1.4
269.17422	2.5
275.20071	100.0
276.20422	4.9
293.21115	38.9
331.22641	3.4
349.23734	68.6
350.24020	3.7
367.24802	98.3
368.25150	7.3
411.03058	1.1
449.29181	2.6
457.82266	1.6
463.30505	3.4
494.94095	1.5
543.36755	4.4
549.39282	2.0
623.32764	1.8
623.43066	37.7
624.43298	4.5
641.44128	66.5
642.44806	8.4
656.39642	1.2
659.45135	65.7
660.45557	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	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	3.3
72.29074	0.8
79.05495	45.2
81.03423	6.5
81.07057	87.5
82.07397	1.4
83.04979	9.5
83.08622	30.5
85.02919	4.4
85.06562	3.3
91.02636	0.8
91.03959	2.6
91.05481	44.7
93.07047	41.0
94.07401	1.5
95.04973	18.6
95.08607	34.5
97.02874	4.3
97.06541	13.0
97.10161	4.0
97.35983	0.9
99.04469	1.0
99.08112	3.5
103.05482	1.7
105.04480	1.6
105.07032	46.2
106.07353	1.5
107.04956	15.7
107.08590	28.6
109.06521	25.3
109.10149	14.9
110.06869	0.8
110.10484	1.1
111.04436	1.6
111.08081	7.2
113.72765	0.8
115.05471	1.6
117.07021	13.5
119.08582	38.5
121.06508	8.9
121.10135	19.4
123.08073	7.5
123.11697	7.2
125.09625	4.5
127.03902	1.4
127.07610	1.0
128.06206	1.8
129.07021	5.9
130.07808	0.8
131.08572	20.6
132.08929	1.1
133.06480	1.7
133.10129	26.9
135.08052	7.3
135.11688	12.0
137.09637	5.8
139.11168	1.9
141.07027	2.6
143.08603	4.2
145.06477	1.6
145.10121	23.1
147.08043	3.4
147.11702	22.7
149.09615	19.1
149.13284	8.1
150.10016	0.9
151.07494	1.2
151.11151	6.6
154.07767	1.0
155.08575	3.7
157.10143	4.8
159.08015	1.6
159.11693	12.6
161.09653	3.9
161.13264	5.2
163.06079	0.9
163.11185	23.6
163.12502	1.6
163.14813	2.8
164.11629	0.9
165.12755	8.0
167.14339	1.2
169.10120	4.0
171.11720	4.2
173.09660	2.7
173.13269	7.0
175.11241	4.8
175.14793	1.5
177.12762	5.1
179.10654	1.0
179.14247	1.5
183.11665	3.0
185.11714	1.0
185.13318	1.1
187.11201	2.4
187.14883	2.8
189.11244	1.4
189.12781	2.1
190.00505	0.8
191.14351	1.6
193.12245	2.0
195.13918	0.8
197.13272	2.1
201.12769	2.3
205.12358	1.9
207.13852	2.3
213.16293	1.2
215.17938	1.7
219.13760	1.8
223.13246	1.5
229.19394	4.9
233.19099	1.0
239.18047	6.4
247.20529	5.3
257.19031	11.4
267.15961	2.7
269.17819	1.0
273.18497	1.1
275.20059	100.0
276.20416	4.8
291.12833	0.8
291.19608	1.9
292.19800	1.3
293.21082	18.6
294.21609	0.9
303.73712	0.9
331.22781	1.4
349.23730	87.3
350.23953	4.7
367.24799	82.0
367.29645	1.3
368.25314	4.0
432.66162	0.9
459.31259	1.4
513.35596	1.9
543.37225	1.4
561.37646	1.0
567.40717	1.8
605.41541	1.7
623.43042	44.7
624.42950	4.3
641.44073	69.7
642.44653	5.6
659.45142	62.8
660.45374	7.1
751.90027	1.0
933.76355	1.0
1018.52423	1.3
1019.50641	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	1018.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	2.9
73.02920	1.0
77.03942	1.2
79.05494	39.0
79.23289	0.4
80.05839	0.7
81.03421	4.4
81.07056	100.0
82.07386	1.6
83.04971	5.7
83.08617	12.8
85.02896	4.3
85.06538	3.2
91.03954	1.5
91.05482	35.1
93.07045	29.8
94.07351	0.8
95.01319	1.0
95.04972	11.7
95.08607	27.0
96.08959	0.7
97.02895	2.8
97.06526	9.8
97.10162	2.5
99.04443	0.5
99.08092	3.1
103.05476	0.7
105.04527	0.9
105.07029	33.8
106.07394	0.5
107.04958	10.6
107.07858	0.6
107.08596	20.5
109.06517	29.6
109.10152	9.9
110.06863	0.6
111.04431	0.9
111.08087	4.8
113.09656	0.5
115.05397	1.0
116.06303	0.6
117.07020	9.6
119.08578	27.0
121.06507	5.5
121.10144	15.6
123.04405	0.5
123.08077	6.8
123.11698	7.4
125.09614	2.2
127.07551	0.8
128.06223	0.9
129.07013	3.9
130.07777	0.7
131.08568	14.8
133.06479	1.7
133.10127	18.4
135.08057	5.1
135.11690	6.9
137.06088	0.6
137.09604	4.8
137.13269	1.0
139.11174	0.9
141.06952	1.7
142.07808	0.8
143.08553	2.6
145.06502	1.3
145.10118	13.3
147.08040	1.9
147.11687	19.4
149.09616	9.1
149.13251	8.6
151.07588	0.4
151.11169	2.9
155.08537	1.6
157.10132	4.8
159.08090	0.9
159.11691	10.6
160.12177	0.5
161.09673	2.4
161.13234	3.7
163.11188	7.0
163.14813	2.7
165.12782	5.1
169.10127	1.9
171.11690	2.8
173.09592	0.9
173.13234	4.4
175.11180	3.9
175.14746	0.8
177.12762	3.3
179.14349	1.3
181.12285	0.5
183.11636	2.3
185.13240	1.2
187.11206	1.3
187.14807	2.0
189.12749	0.9
191.14375	1.3
193.12158	2.1
195.13777	0.8
197.13333	1.2
199.14853	0.5
201.12773	1.3
201.16394	0.7
205.12141	0.6
205.15988	0.7
207.13765	0.8
211.14917	0.5
215.14276	0.9
215.18031	1.1
217.15829	0.8
219.13918	0.6
223.13322	0.9
229.19482	3.3
233.15454	0.7
233.19020	0.6
239.18037	2.1
247.20570	3.7
257.19006	5.2
258.19223	0.5
267.15869	2.5
269.17523	1.4
273.18616	0.5
275.20065	63.9
276.20364	3.0
291.19525	1.4
292.19922	0.8
293.21109	11.8
294.21509	1.0
331.22736	0.7
349.23734	51.7
350.24057	3.3
365.23480	0.7
367.24789	56.4
368.25095	3.3
459.30707	0.6
543.36719	2.0
549.39301	0.7
557.35052	0.8
585.41266	0.7
623.43079	36.9
624.43152	5.0
641.44080	47.4
642.44415	4.6
659.45081	46.5
660.45557	4.9
1019.51556	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	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	4.4
77.03907	1.2
79.05494	50.0
81.03433	9.3
81.07059	46.2
83.04986	15.3
83.08620	40.5
83.09120	1.9
85.02910	6.1
85.06545	2.8
91.03976	1.2
91.05481	46.1
92.05844	1.6
93.07047	43.9
95.01355	1.1
95.04970	74.6
95.08604	29.6
97.02905	1.7
97.06536	10.0
97.10185	12.1
98.23412	2.8
99.04484	6.4
99.08081	2.0
103.05444	2.6
105.04504	2.1
105.07035	38.9
107.04958	22.1
107.08599	41.0
109.06515	14.3
109.10152	12.5
111.04455	14.8
111.08103	9.1
115.05473	1.9
117.07030	15.2
119.08589	30.7
121.06501	10.9
121.10143	23.5
123.08076	8.5
123.11683	2.7
125.06064	1.9
125.09652	13.3
129.07004	5.6
131.04980	1.4
131.08569	22.5
132.81705	1.1
133.06541	1.4
133.10127	21.0
134.10480	1.4
135.08052	8.4
135.11694	10.6
137.06006	1.4
137.09628	5.0
139.11195	2.7
141.07034	2.2
143.08575	5.4
145.06500	3.4
145.10127	28.2
147.08031	6.0
147.11690	13.4
149.09627	34.7
149.13295	3.2
151.11188	3.2
153.09059	2.1
153.12793	2.2
155.08546	3.3
157.10135	4.8
159.11711	14.7
161.09650	3.2
161.13243	6.1
163.11186	38.6
164.11526	1.6
165.12772	4.6
169.10143	4.6
171.10172	1.8
171.11700	3.1
173.09650	3.3
173.11896	1.8
173.13213	5.7
175.11261	3.0
177.12721	5.4
181.12209	3.0
183.11719	3.7
185.13329	2.1
187.11212	5.1
189.11218	14.9
189.12769	1.4
191.10681	3.1
191.14322	1.4
193.12238	1.9
197.13254	2.6
199.14934	1.3
201.12770	2.2
205.12279	6.2
223.13293	57.4
224.13597	2.7
227.12750	2.8
229.19511	4.0
239.17957	4.1
247.20555	3.8
257.19000	12.8
269.17505	2.8
275.20074	96.6
276.20374	5.3
279.16135	1.4
291.19498	2.8
293.21091	59.6
294.21475	3.5
311.22119	2.8
312.82349	1.1
331.22745	2.4
343.82913	1.1
344.53259	1.1
347.22211	1.2
349.23724	68.8
350.23886	6.0
367.24799	100.0
368.25241	7.0
448.84900	1.2
515.33777	1.8
543.36896	3.7
561.37323	1.6
579.65295	1.2
608.59729	1.3
623.43042	26.6
624.43390	4.1
641.44061	62.5
642.44623	8.1
659.45172	67.4
660.45740	7.9
681.96863	1.2
1019.52319	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	1018.6319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05003	7.7
71.27724	2.9
71.28176	2.8
73.02901	3.1
79.05064	5.9
79.05500	76.4
80.05803	4.6
81.03426	13.6
81.07061	87.9
83.04981	11.0
83.08606	17.6
85.02914	10.8
91.03982	5.2
91.05487	60.8
91.06023	5.9
93.07049	77.2
95.04985	17.6
95.08615	56.9
97.02898	9.7
97.06551	12.8
97.10189	5.6
105.04520	3.8
105.07032	38.6
106.07391	3.2
107.04960	6.5
107.08595	39.3
109.06552	9.9
109.10159	27.9
111.08105	5.9
115.05509	4.1
117.07008	14.9
119.08573	29.2
121.06478	7.3
121.10165	25.7
123.11749	5.9
125.09628	4.1
129.05449	4.3
129.07010	5.4
131.08580	22.3
133.10110	22.9
135.08060	5.5
135.11687	16.9
143.08598	8.2
145.05046	3.2
145.10101	19.0
147.11725	14.3
149.09624	9.7
149.13303	8.1
155.08597	3.9
157.10133	5.7
159.11728	13.5
160.09958	3.0
163.11174	6.1
171.11649	3.8
173.11798	4.7
173.13300	6.6
177.12889	3.5
183.11603	4.6
187.14780	3.4
193.12334	7.7
202.35173	3.3
220.20419	3.7
229.14375	14.1
257.19064	7.6
259.20502	3.7
261.22226	10.6
269.17471	12.8
275.20117	23.7
285.21417	3.4
289.18231	4.9
291.19720	4.1
304.24042	3.2
307.19006	3.8
317.24637	4.0
333.24371	4.3
335.25797	100.0
336.26224	7.2
349.23724	18.1
357.08267	3.1
367.73209	3.3
399.24329	4.0
413.21744	11.3
429.14059	3.3
489.35693	13.1
503.33884	3.6
504.96167	3.3
529.38879	92.1
530.39117	5.8
545.38104	3.7
553.39392	3.8
569.42072	22.7
609.44965	43.3
610.44330	4.1
623.42883	6.2
627.45569	6.6
641.47864	17.4
673.43359	17.4
748.13049	3.5
1018.60602	4.3
1019.53937	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	1018.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04998	10.5
73.02930	4.0
74.28568	3.0
79.05499	76.1
81.03426	9.6
81.07063	100.0
83.04998	10.2
83.08626	17.7
85.02896	14.0
88.32140	2.7
91.03980	8.1
91.05490	52.2
93.07054	69.6
95.04972	11.7
95.08614	61.0
97.02882	8.0
97.06545	12.7
97.10182	7.1
97.60818	2.9
105.04514	2.9
105.07035	42.0
107.04984	3.8
107.08595	45.2
109.06535	8.3
109.10159	38.3
111.04414	3.3
111.08100	7.5
115.05479	2.7
117.07022	19.3
119.08601	27.8
121.06525	4.5
121.10139	26.7
123.04443	2.6
123.08112	5.6
123.11731	7.1
125.09640	5.5
127.03882	4.1
129.06999	5.2
131.08598	23.4
133.10121	27.6
135.08067	5.7
135.11694	14.5
137.09557	3.8
143.08607	6.8
145.10138	17.7
147.11740	13.9
149.09644	10.1
149.13298	13.7
151.11253	2.8
157.10101	4.8
159.11707	16.9
161.13249	7.5
163.14760	3.7
169.10191	4.2
171.11664	2.6
173.11815	3.5
173.13297	9.1
177.12724	3.0
179.14235	3.0
195.13921	4.4
197.13248	4.1
229.14415	17.1
261.22192	8.9
267.15799	3.9
269.17526	11.7
275.20093	26.6
293.21078	4.6
335.25830	96.0
336.26117	3.9
349.23718	20.4
387.25583	4.0
413.21777	7.4
489.35706	17.5
491.93692	3.7
494.16092	2.8
523.78345	3.2
529.38971	86.7
530.39246	8.2
569.41681	6.9
571.39362	3.4
609.45050	39.7
610.45483	4.5
627.45752	5.9
637.41119	3.7
641.47192	12.5
673.42859	15.7
691.44147	5.8
1019.54358	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
77.01072	0.5
77.03935	2.3
79.01848	1.2
79.05496	1.7
81.03413	5.8
83.04967	0.9
85.02912	0.9
89.03911	4.0
91.05489	2.0
93.03405	1.9
95.04980	3.6
97.10050	0.5
99.04443	1.1
103.05475	2.5
105.03393	2.0
105.04501	0.6
107.04967	8.0
109.02885	5.5
111.00811	10.3
111.04444	8.4
115.05472	1.9
117.03375	3.3
117.06993	0.6
119.04916	1.8
121.02865	2.9
123.04433	100.0
124.04764	1.5
127.03918	95.4
128.04248	1.9
128.06232	0.9
129.07031	1.2
131.04932	3.9
133.02779	0.6
133.06519	0.7
135.04419	68.5
136.04790	1.3
137.02332	6.5
137.05957	0.8
139.03906	46.2
140.04239	1.0
141.06993	2.0
143.03430	0.9
143.04947	1.6
145.02852	1.2
145.06502	2.2
147.04416	10.6
149.02351	7.7
149.06000	2.7
151.03909	17.8
152.04301	0.8
153.01825	13.6
153.02921	0.9
153.07036	1.1
155.04874	2.4
157.06493	1.7
159.04419	5.8
161.02356	1.3
161.05969	4.8
163.03908	66.4
164.04266	1.0
165.01854	1.7
165.05498	4.0
167.03403	4.5
167.04707	0.7
169.04959	2.5
169.06505	2.9
171.04436	1.0
173.02393	0.9
173.05986	5.7
175.03920	4.6
175.07463	0.9
176.04726	0.7
177.01892	0.8
177.05473	6.6
179.03391	9.7
181.05002	1.8
181.06522	1.7
183.04419	2.6
185.05904	2.8
187.03871	9.8
187.07458	1.3
189.01820	0.7
189.05469	5.5
191.03401	12.3
191.07030	0.6
193.04988	2.8
197.05971	7.2
199.07478	0.8
201.05461	12.3
203.03398	16.7
203.07138	3.0
204.03812	0.7
205.04964	3.4
207.02882	1.3
211.03842	1.0
213.05443	3.9
214.05939	0.5
215.03430	4.2
215.06989	3.6
217.04936	3.3
219.06512	1.4
221.06093	0.6
223.02397	2.2
225.05396	2.5
227.03421	1.6
227.07072	1.5
229.04956	13.8
231.02887	1.6
231.06401	3.5
233.04465	4.6
235.02380	1.0
237.05426	1.6
239.03525	0.7
239.06998	0.7
241.04932	3.3
243.02933	0.7
243.06506	5.7
244.03659	1.2
245.04460	76.3
246.04770	3.2
247.06023	58.1
248.06403	2.0
251.05455	0.8
253.05020	2.7
255.02985	0.5
255.06477	4.1
257.04440	16.4
258.05173	1.1
259.06009	7.7
261.03745	0.7
261.07477	2.6
263.05588	2.4
265.04974	2.1
267.06506	1.7
269.04477	8.9
271.06003	32.7
272.06284	1.4
273.04684	0.8
273.07614	6.1
274.04758	3.4
275.02451	1.1
275.05493	23.5
279.06522	1.3
281.04477	3.3
283.06009	16.4
285.03864	2.2
285.07559	1.7
286.04501	0.7
287.05484	25.4
289.07050	25.3
290.07547	0.8
291.08768	1.0
293.04544	1.0
295.06033	3.5
297.03952	3.0
297.07571	1.6
299.05478	8.4
301.07050	12.0
302.07227	0.7
303.05035	1.1
303.08615	0.8
305.04446	0.8
307.05948	1.6
309.03867	2.9
311.05597	3.1
313.06989	3.9
315.08774	0.8
317.06982	1.0
319.06082	1.3
321.04074	0.8
321.07333	1.1
323.05530	3.3
325.07007	1.3
327.05304	0.7
331.08011	1.6
333.07559	2.0
337.07098	0.7
339.04913	0.7
341.06442	1.0
345.07611	1.0
347.05408	1.4
349.07153	1.3
351.05023	3.4
361.07013	1.8
363.08627	1.4
365.06607	2.5
367.08102	0.8
373.07104	1.2
375.04791	0.9
377.06461	1.6
379.08151	4.0
383.07715	2.7
389.06381	3.5
391.08154	4.9
393.05270	3.5
393.09821	2.4
395.07578	1.4
396.08295	0.6
397.09146	7.8
401.06604	1.0
403.08035	0.7
405.05942	5.3
407.07599	27.9
408.07776	1.5
409.09210	28.8
410.09592	1.7
415.07846	0.8
417.05630	0.8
419.07541	4.9
421.09210	5.8
425.08798	7.9
427.10367	4.7
431.07672	1.0
433.09048	3.6
435.11301	2.5
437.08765	7.5
439.10168	2.3
443.10046	3.6
449.08664	3.1
451.10132	4.7
517.11603	3.1
527.09814	5.5
529.11017	0.8
535.11694	0.9
539.10114	0.7
541.11243	1.8
543.13055	1.7
545.10510	3.2
557.10498	1.2
559.12030	1.1
561.10663	1.5
563.11438	2.5
571.12091	2.2
579.11353	3.3
679.14032	1.7
697.12091	4.8
723.13635	0.9
731.15649	1.2
831.15088	1.0
849.15784	2.2
851.17047	0.6
867.16675	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	1019.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	12.4
85.02916	1.7
89.03919	4.2
91.05465	2.1
91.46178	1.9
93.03458	2.8
95.04979	3.8
99.04408	2.0
103.05479	3.1
107.04948	6.1
109.02914	8.8
111.00817	5.3
111.04432	9.8
115.05432	3.1
117.03401	2.5
121.02874	3.8
123.03705	1.3
123.04434	95.4
127.03917	100.0
131.04944	4.6
135.03378	3.7
135.04422	68.9
136.04709	2.2
137.02347	4.2
139.03900	42.7
139.05537	1.8
140.04276	1.8
145.02823	1.7
147.04385	9.3
149.02347	7.0
149.05980	2.8
151.03899	24.5
153.01819	20.8
153.02919	2.6
155.04900	3.7
159.04407	6.5
161.05983	5.4
163.03917	52.2
164.04102	2.0
165.05396	2.1
167.03444	6.2
169.06537	3.2
173.05879	3.6
174.21635	1.7
175.03903	4.6
177.05475	6.0
179.03441	7.6
183.04514	2.0
185.06030	1.8
187.03851	9.3
189.05457	3.7
191.03433	10.1
193.05017	2.5
197.05983	6.6
201.05467	12.6
203.03423	14.0
205.05060	3.5
213.05551	2.2
215.03491	3.0
215.07103	3.9
219.02942	3.0
219.06621	3.0
221.00839	4.1
223.02429	1.8
229.04968	11.0
231.06520	2.8
233.04393	4.3
235.02431	4.8
239.01900	2.5
241.04912	2.5
243.06534	5.1
245.04434	15.4
247.02336	3.3
247.06029	38.7
248.06517	2.1
255.06566	2.5
257.04453	19.7
259.06033	8.3
261.07629	3.7
269.04532	8.9
271.05997	31.4
273.07547	7.6
275.02023	4.6
275.05508	10.3
281.04535	3.9
283.06119	11.3
285.07544	3.4
287.05481	24.9
289.07098	28.1
290.07611	2.2
291.08646	2.7
295.06039	2.9
297.07458	2.0
299.05389	9.4
301.06970	15.0
303.01376	2.1
309.03998	4.3
311.05545	3.9
313.07037	4.6
353.04898	4.2
391.08005	2.5
393.05338	2.4
393.09698	3.7
405.06067	5.0
407.07623	6.2
408.07761	2.2
409.09250	29.8
419.07562	3.5
421.09262	6.2
425.08524	3.3
427.10126	8.5
433.08847	3.0
435.10852	3.2
437.08926	2.2
439.10281	5.3
443.10010	2.7
451.10040	3.0
527.09662	4.2
529.11200	2.2
543.12488	3.9
545.10474	3.4
557.10846	2.0
561.10126	2.1
563.12170	4.4
565.12823	2.0
579.11139	4.6
734.20343	1.9
832.12811	10.9
849.15259	2.4
854.83539	2.1
902.99548	2.1
1039.36047	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	1019.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17279	0.7
71.73331	0.6
77.03934	1.8
79.01845	1.5
79.05486	1.9
81.03410	5.0
83.04978	2.2
85.02905	2.2
89.03922	4.1
91.05481	2.3
93.03403	2.2
93.05572	0.7
95.04969	2.8
97.02906	0.6
98.23352	2.3
99.04479	1.6
103.05463	1.5
105.03417	1.8
107.04963	6.1
109.02866	4.6
111.00809	7.8
111.04453	9.0
115.05478	2.1
117.03405	2.2
117.06995	0.9
119.04987	2.0
121.02882	1.8
123.04433	100.0
124.04778	1.6
125.02380	1.2
127.03918	73.1
128.04236	1.0
131.04915	4.2
133.02872	0.9
133.06483	0.9
135.04419	67.7
136.04776	1.4
137.02373	5.5
137.03339	1.0
137.06017	0.8
139.03905	53.8
140.04247	0.9
141.06981	1.0
143.03368	1.5
143.04935	1.3
145.02852	1.7
145.06490	1.9
147.04419	11.0
149.02344	5.6
149.05997	2.1
151.03911	23.8
153.01837	31.6
153.02933	1.8
153.06998	1.1
155.03595	0.7
155.04922	3.3
155.06062	0.8
157.06514	1.9
159.04425	5.8
161.02330	1.0
161.05971	4.1
163.03911	60.3
164.04181	1.6
165.01828	1.0
165.05545	3.5
165.06815	0.7
167.03403	5.5
169.04959	4.2
169.06499	3.5
171.04448	1.1
173.02292	0.9
173.06018	7.5
175.03894	4.7
175.07561	1.0
177.05479	6.3
179.03409	11.6
181.05046	1.2
181.06497	2.0
183.02913	0.9
183.04451	2.9
185.05933	3.5
187.03893	8.7
187.05376	0.8
187.07549	0.8
189.05444	4.6
191.03391	12.0
191.05019	1.1
193.04970	3.6
193.06465	0.7
197.06029	5.8
199.07585	1.1
200.04573	0.7
201.05487	13.3
202.05988	0.7
203.03397	16.9
203.07048	2.8
205.04922	3.3
207.02846	0.9
209.06053	1.4
211.03891	1.1
213.05417	4.5
214.05956	0.7
215.03438	4.5
215.06947	3.6
217.04922	2.2
219.06357	1.2
221.06114	1.0
223.00529	0.6
223.02406	2.9
225.05524	3.2
227.03345	1.5
227.06995	1.4
229.04962	14.4
231.02919	1.4
231.06570	2.9
233.04442	5.5
233.06433	0.8
235.02431	1.7
237.05397	2.2
239.06976	1.0
241.04941	3.7
243.02885	1.2
243.06514	6.6
245.04460	58.4
246.04787	2.4
247.06017	54.3
248.06442	2.5
249.05437	0.9
253.05003	4.5
255.06528	4.4
257.04459	19.1
258.05139	2.6
259.05994	9.2
261.07495	3.7
263.05447	0.8
265.04932	1.8
267.06528	2.2
269.04462	11.1
270.04980	1.3
271.06000	50.6
272.06366	1.9
273.04294	1.3
273.07605	6.8
274.04718	1.5
275.05481	13.2
277.05029	0.8
279.06396	1.5
281.04489	2.7
283.06006	13.6
285.03946	2.1
285.07657	2.4
286.04922	0.7
287.05460	21.3
288.06064	0.8
289.07053	30.9
290.07440	0.8
291.08679	2.5
293.04446	0.7
295.05954	6.0
297.03906	2.6
297.07648	2.0
299.05432	8.9
301.07043	16.9
303.05087	1.3
307.06107	1.4
309.03827	2.1
309.07513	0.7
311.05524	4.3
313.07050	5.6
315.05051	1.3
315.08591	1.2
317.06696	0.8
319.06039	1.4
321.03922	0.7
321.07852	0.9
323.05807	3.0
323.09033	1.2
325.07190	1.0
327.05362	0.9
329.06638	1.7
331.04535	1.6
331.08231	2.5
333.07489	1.1
337.06802	0.8
341.06421	0.9
345.07703	1.8
349.06827	1.5
351.05115	1.7
361.07147	2.8
363.08759	1.3
365.06464	1.3
367.07907	0.9
373.07126	1.0
375.04483	1.1
377.06424	1.7
379.08109	6.0
380.07919	0.7
381.09848	1.1
383.07520	2.0
389.06555	3.2
391.08118	6.7
393.05222	3.5
393.09891	2.8
395.07559	2.3
397.09232	4.1
401.06659	1.0
403.08185	1.1
405.05783	4.0
407.07602	20.5
408.07904	1.2
409.09174	33.0
410.09457	2.1
411.11154	1.3
415.08072	1.2
417.05707	1.2
419.07544	6.0
421.09109	5.0
425.08694	8.3
427.10114	6.2
431.07516	2.6
433.09235	9.3
435.10861	2.0
437.08685	7.1
439.10080	2.1
443.09686	3.8
449.08609	4.4
451.10318	6.9
455.08887	0.7
485.10339	1.0
487.46625	0.7
517.10858	1.6
527.09607	4.5
529.11108	2.0
539.09241	1.0
541.11627	3.6
545.10974	3.0
553.11151	2.8
557.10529	1.8
559.12231	2.0
561.11072	1.0
563.11511	2.1
571.12433	3.4
577.14508	1.2
579.10992	3.7
603.10913	1.0
605.13263	0.8
679.14008	1.5
697.11810	1.8
723.13202	1.9
731.16254	1.4
849.16895	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	1020.6985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	3.9
79.05501	49.8
81.07061	82.1
81.97644	2.7
82.51256	3.0
83.04984	4.7
83.08616	15.1
85.06572	3.8
91.05487	39.6
93.07042	46.4
94.57251	2.6
95.04967	11.0
95.08613	43.8
97.06533	5.2
105.07040	29.9
107.04998	2.7
107.08586	20.3
109.06531	14.6
109.10168	13.7
117.07024	8.7
119.08604	24.9
121.10146	12.9
123.08071	4.5
123.11713	3.7
129.07028	4.7
131.08586	20.3
133.10156	17.3
135.08049	4.6
135.11690	7.7
137.09596	3.9
145.10173	9.3
147.11711	14.1
149.09558	5.0
149.13252	3.9
159.11699	9.2
161.13264	9.1
163.11221	5.9
179.14375	5.3
214.94260	3.3
240.24207	3.3
247.20575	5.8
257.18927	5.4
261.22180	4.9
275.20108	43.9
276.20404	4.5
293.21069	11.6
335.21823	4.8
335.25815	100.0
336.26334	6.1
349.23749	20.8
367.24677	5.6
471.34430	5.9
489.36053	4.5
513.39740	4.3
531.40155	5.7
545.38281	12.0
563.39417	8.8
609.45026	34.1
610.45184	4.1
625.23401	3.4
627.46204	17.8
823.61041	24.9
824.60919	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	1020.6987
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78515	6.4
71.04993	3.6
77.32103	3.7
79.05494	59.4
81.07059	70.5
81.14194	3.1
83.04980	6.5
83.08617	31.3
91.05483	47.8
93.07047	63.8
95.04977	27.5
95.08616	52.2
97.06544	8.1
97.10201	5.0
99.08148	3.9
105.07036	42.6
105.89787	3.0
107.04978	20.9
107.08601	30.7
107.28450	4.1
109.06532	10.1
109.10175	22.3
111.08099	9.3
117.07011	18.6
119.08575	38.0
121.06513	6.1
121.10146	28.9
123.08087	4.3
123.11733	8.4
129.07019	6.8
131.08571	17.2
133.10173	26.7
135.08080	7.5
135.11700	16.8
137.09642	3.6
143.08611	5.3
145.10106	32.8
147.11671	16.7
149.09628	20.6
149.13277	7.2
151.11230	5.8
155.08543	3.5
159.11742	13.6
161.09523	3.9
161.13266	10.9
163.11189	23.7
163.14972	5.1
169.10155	6.1
171.11707	3.9
173.13309	6.6
179.14334	6.5
200.40298	3.5
234.26849	3.7
239.17979	8.7
247.20647	5.5
257.19034	9.3
261.22168	10.6
275.17111	5.9
275.20108	97.2
293.21133	13.7
317.42154	3.5
335.25809	100.0
335.29675	6.3
336.26019	5.7
345.07965	3.7
349.23761	77.7
350.24286	6.6
367.24945	6.6
374.17575	3.7
464.94028	3.7
531.40247	4.6
545.38208	7.0
563.39081	4.9
590.04120	3.9
609.45154	68.9
610.45770	9.8
627.46295	27.9
702.66937	4.2
823.60730	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	1021.274
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	0.2
85.26872	0.1
89.03387	0.1
89.03889	0.4
91.05483	6.9
92.05809	0.2
99.04485	0.1
102.21346	0.1
109.02848	0.1
111.94724	0.1
117.03406	0.8
119.04945	10.4
120.05264	0.3
127.03923	0.2
145.02850	1.5
147.04410	29.1
148.04759	0.9
149.02104	1.1
149.06044	0.2
169.02615	7.8
177.05466	1.2
187.03671	3.5
219.06544	0.2
239.78708	0.1
241.04745	0.2
243.06026	0.1
257.04315	0.1
259.05896	0.1
273.07666	0.2
295.05887	0.2
313.06815	8.8
314.07108	0.3
331.07925	0.7
333.07315	1.2
403.09906	0.1
405.09570	0.4
421.11285	0.3
459.10483	1.2
460.11197	0.1
470.90787	0.1
477.11594	0.5
495.12744	0.4
592.60162	0.1
623.15375	2.0
624.16223	0.2
641.16278	4.7
641.27008	0.2
642.17126	0.3
1021.27313	100.0
1022.27521	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	1021.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86398	2.2
91.05480	6.9
101.03043	1.0
108.65856	1.2
119.04958	10.2
147.04411	38.9
148.04752	1.7
169.02612	9.7
187.03778	2.9
313.06839	7.9
333.07526	2.3
459.10489	2.7
477.11444	1.4
623.15460	5.0
641.16321	26.4
642.17078	1.6
683.17352	42.3
684.17847	2.7
1021.27350	100.0
1022.27258	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	1021.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01340	0.2
71.04997	0.3
73.02919	1.6
79.05502	1.8
79.61957	0.2
81.03439	0.8
81.07053	3.2
83.04995	0.3
83.08646	0.8
85.02904	3.6
87.04539	0.3
90.77439	0.2
91.03982	1.1
91.05495	2.0
92.05281	0.3
93.07045	1.7
95.05004	0.9
95.08596	1.5
97.02899	3.1
97.10200	0.5
98.22626	0.4
99.04461	0.6
101.02396	0.8
105.07023	1.5
107.08626	0.9
109.02906	0.3
109.06528	0.6
109.10178	0.5
111.08145	0.3
117.07091	0.5
119.08617	1.2
121.06544	0.5
121.10205	0.6
122.39864	0.2
123.11738	0.3
125.09693	0.4
127.03946	0.7
131.08572	0.5
133.10175	0.9
135.08112	0.3
135.11740	0.4
145.10147	0.6
147.11751	0.8
149.09653	0.6
149.13321	0.4
159.11761	0.4
163.11200	0.4
184.07458	0.4
185.04387	0.5
200.08592	0.2
201.03729	0.5
203.05302	0.5
223.13412	0.7
230.73886	0.2
243.08434	2.0
259.08023	0.4
269.17569	0.2
275.20056	0.7
276.20560	0.3
277.21255	0.2
291.19745	0.7
301.08975	0.3
313.09113	0.4
331.18973	0.8
333.20441	0.9
347.09354	1.5
348.92236	0.2
349.23950	0.5
349.52634	0.3
350.24261	0.3
351.25168	0.3
363.09204	0.9
365.10876	0.4
387.21048	0.3
389.23099	0.7
405.13632	5.3
423.19971	0.4
425.21753	0.3
463.14932	0.3
475.14639	0.3
481.20413	0.5
549.26764	2.4
551.28229	4.3
585.25635	0.5
615.26538	0.3
644.46075	0.5
677.73608	0.3
711.31995	3.0
713.33557	6.3
714.34662	0.4
859.47833	0.9
923.45111	0.4
1003.52301	0.7
1021.53314	100.0
1022.53583	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	1023.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29366	0.7
73.02933	2.4
79.05491	2.7
81.03429	1.1
81.07079	2.6
83.05005	0.5
83.08636	1.2
85.02900	3.9
86.54276	0.6
91.03986	1.8
91.05515	2.2
93.07066	1.2
95.04987	1.0
95.08643	0.9
97.02905	2.8
99.04492	0.8
99.72579	0.5
101.02415	1.1
105.07045	1.4
105.28472	0.5
107.08632	1.6
109.10195	0.8
119.08590	0.9
119.51224	0.5
121.10247	0.8
133.10159	0.9
136.06261	2.1
145.10110	0.5
147.11636	0.8
163.11293	0.5
185.04233	0.6
203.05347	0.7
206.14017	0.5
243.08549	2.3
267.45474	0.5
333.20480	1.9
347.09787	2.0
365.10718	0.9
389.23196	1.7
405.13721	6.5
405.18848	0.6
551.28357	8.9
552.29309	0.7
713.33508	10.0
713.45941	0.6
861.50049	1.5
968.22070	0.8
1023.54968	100.0
1024.55237	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	0.5
73.02924	2.1
78.91765	0.5
79.05496	2.2
81.03440	1.5
81.07057	5.0
81.07465	0.5
83.08618	0.5
85.02910	4.0
89.74794	0.4
91.03979	2.7
91.05527	1.6
92.67256	0.4
93.07057	1.1
95.04971	0.7
95.08636	1.7
97.02888	4.1
97.06577	0.5
101.02405	1.1
105.07063	2.0
107.08613	1.0
109.02892	0.9
109.06568	0.6
109.10159	0.6
119.08645	1.2
121.10163	1.0
123.11841	0.5
127.03953	1.0
133.10168	0.7
147.11736	1.0
149.13306	0.6
159.11725	0.5
185.04251	0.7
203.05328	0.9
243.08437	3.1
303.19504	0.7
333.20447	2.7
347.09592	2.3
363.08875	0.7
389.23059	1.2
405.13739	5.9
406.13705	0.5
423.20001	0.9
425.21603	1.0
475.14395	0.6
551.28326	7.7
551.35669	0.7
585.25616	1.9
623.31250	0.6
713.33624	13.2
714.34271	1.1
861.49921	1.8
1023.54999	100.0
1024.55164	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	1024.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03438	0.9
89.03921	0.9
91.05489	9.5
92.05810	0.2
97.02935	0.3
99.04464	0.4
107.04940	0.3
107.20129	0.2
109.02884	2.3
116.75617	0.2
117.03387	2.3
119.04949	19.4
124.05198	0.2
127.03938	1.9
133.02869	0.5
135.04398	0.3
137.05968	1.1
145.02853	6.4
147.04416	100.0
148.04745	2.8
149.05989	1.1
150.06674	0.2
165.05528	0.5
175.03767	0.5
177.05475	6.3
179.07018	0.3
201.05457	1.1
213.05478	0.3
229.08662	0.5
247.08328	0.2
255.06535	0.3
273.07590	7.3
274.07938	0.3
291.08679	0.2
293.08096	0.4
305.07922	0.2
325.10641	0.8
337.10672	0.5
355.11646	1.0
373.12686	0.3
455.13385	7.0
456.13583	0.4
456.48325	0.2
510.97467	0.2
795.24982	0.3
876.89490	0.3
1024.33154	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	1025.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41058	0.6
95.66788	0.5
95.67446	0.6
98.22643	0.7
122.31455	0.6
125.19244	0.5
147.04459	1.6
175.93968	0.5
215.77686	0.5
247.70071	0.6
289.20892	0.5
527.15576	0.6
569.88263	0.7
610.97870	0.5
687.14740	23.3
688.04132	0.6
688.14966	2.6
945.72028	0.6
1025.24683	100.0
1026.24963	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05465	2.0
83.80138	1.5
90.45757	1.4
91.05482	7.9
93.07047	3.6
95.05013	2.8
95.53378	1.2
96.08882	1.4
103.05473	22.3
107.04973	5.5
115.35128	1.4
119.04953	3.6
120.08102	21.1
121.06516	18.2
129.07043	2.5
131.04897	9.7
131.08582	1.6
132.04483	1.6
133.02876	13.8
134.05986	1.6
137.05998	3.0
145.02856	3.7
146.06041	4.7
147.04414	5.4
149.05981	5.4
150.06677	1.8
156.08086	7.2
157.06494	3.3
161.05989	2.5
164.07108	3.7
165.05524	2.5
166.08640	2.9
173.06018	1.4
174.05522	8.7
174.09203	7.7
175.03911	3.2
177.05510	10.1
184.07613	11.4
185.06058	2.4
201.05450	6.6
202.04997	23.9
202.08635	93.3
203.07079	1.4
203.08980	3.0
220.06061	11.3
228.10207	1.4
230.08139	10.7
233.06027	1.9
248.09189	100.0
249.09503	3.5
309.21628	1.7
312.12360	2.5
325.10739	4.3
338.13968	3.1
385.13974	4.5
462.19141	25.0
463.19727	1.5
625.25641	1.8
1027.33203	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.6
53.03953	29.2
54.04289	0.6
55.01869	1.4
56.13437	0.4
58.06606	0.7
60.08167	1.0
60.95843	2.3
62.92989	1.0
67.05518	0.9
71.30636	0.8
75.06405	0.5
77.03942	5.2
81.03403	2.9
82.42443	0.5
95.04973	35.6
96.05332	1.1
102.04700	5.8
102.96902	0.8
103.05476	100.0
103.09532	0.9
103.13190	0.6
104.05798	4.1
104.10765	1.9
105.04522	16.9
106.04794	0.5
117.07002	0.5
120.97923	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
50.01588	1.0
51.02384	4.9
53.03951	32.2
55.01881	1.3
56.99708	1.0
60.08171	5.4
69.03418	1.6
70.44673	2.5
70.45004	0.9
77.03925	7.4
81.03417	3.7
95.04967	36.6
102.04665	5.4
103.05470	100.0
104.05109	1.6
104.05807	5.4
104.10745	10.5
105.04516	16.7
120.00053	1.2
120.25195	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.6
51.02381	4.6
53.03952	30.8
55.01869	2.2
56.88599	0.5
58.03208	0.6
58.06601	1.6
60.08167	12.7
60.95859	1.2
69.55401	2.3
72.66830	0.6
77.03523	0.9
77.03936	9.6
79.64758	0.6
81.03430	3.9
86.06094	0.8
87.04462	1.6
95.04977	37.8
96.05289	1.1
100.73907	0.7
102.04675	5.7
102.96830	1.2
103.05474	100.0
104.05809	4.5
104.10752	25.0
105.04520	15.7
106.04850	0.9
120.97955	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	1032.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02227	3.5
79.05494	0.9
81.03418	1.6
81.07064	0.6
81.51515	0.2
83.08627	0.3
84.04493	1.2
84.08136	0.6
85.06556	0.4
86.75392	0.2
91.05477	0.7
93.07031	0.8
94.06544	0.3
94.93978	0.1
95.04970	38.5
95.08607	0.8
96.05305	0.5
98.22777	0.2
105.07024	0.6
107.04924	0.2
107.08658	0.3
109.10176	0.3
112.07609	100.0
113.06005	23.6
113.07870	1.4
114.06355	0.4
116.01691	1.0
119.08605	0.5
121.10140	0.5
130.05006	0.4
130.08649	0.4
131.08574	0.3
133.10194	0.3
142.03239	0.3
144.01184	0.4
145.10107	0.2
147.11697	0.3
148.65047	0.2
149.09648	0.2
154.08655	0.2
155.07040	3.4
155.08218	0.3
162.02180	1.6
170.02742	0.3
173.08127	1.5
175.11174	0.2
177.03369	0.2
179.04871	3.5
193.12280	0.5
205.84380	0.2
207.10132	0.5
215.09204	0.4
224.12828	17.2
225.11203	0.6
225.13210	0.4
233.05911	0.8
234.01183	0.2
242.13841	0.9
245.06052	0.2
261.22079	0.3
267.12311	0.6
267.15903	1.6
284.14932	15.9
285.15298	0.5
308.09097	5.1
327.14648	0.2
335.25732	1.1
336.18054	2.8
345.15393	0.2
362.52594	0.1
387.16406	0.2
396.20154	0.5
397.18668	0.3
456.22247	0.4
508.25494	0.4
527.37323	0.5
545.37842	0.2
830.53436	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	1032.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
72.90510	0.7
73.02892	1.0
74.00668	2.0
76.02227	59.3
76.03995	5.5
79.05492	24.9
79.05850	0.4
79.05965	0.8
80.05014	2.1
81.03416	36.1
81.07058	32.0
81.97459	0.7
83.04971	3.9
83.06097	2.1
83.08617	8.9
84.04505	20.1
84.77350	0.7
85.02911	2.7
85.04026	8.8
86.00653	1.4
86.99049	4.1
88.02203	1.7
91.03922	0.9
91.05479	24.3
92.01701	3.3
93.07040	25.8
95.04974	14.0
95.06041	0.9
95.08606	19.6
97.01091	0.9
97.02889	2.9
97.06523	3.3
97.10151	2.8
99.08094	1.3
100.02156	1.0
103.05470	0.7
105.04520	1.7
105.07028	17.0
107.04948	3.9
107.08595	13.4
109.06535	4.1
109.10146	8.2
111.04440	1.0
111.08066	4.1
112.02190	0.7
112.03966	1.4
113.03474	2.6
114.03740	1.5
116.01678	16.5
117.07008	5.2
119.08570	13.7
121.06504	2.7
121.10140	10.9
123.08071	2.1
123.11734	2.6
125.09608	2.9
128.06203	1.2
129.07033	4.9
130.05003	19.6
131.04527	6.0
131.08553	9.3
133.06488	1.7
133.10130	10.2
135.08041	3.1
135.11697	5.9
137.09631	2.3
139.03236	1.2
141.04869	1.3
142.03236	11.1
142.07790	0.9
143.08572	2.1
144.01151	10.6
145.06076	4.0
145.10103	5.6
147.08034	2.0
147.11690	7.4
149.09624	4.1
149.13248	4.7
151.11150	1.5
155.08427	0.9
157.10149	5.4
159.11708	3.3
160.00647	1.9
161.09631	1.8
161.13225	1.7
162.02202	29.6
162.03542	1.7
163.02548	1.3
163.11180	1.1
163.14914	1.3
165.12770	1.2
170.02733	3.7
173.09666	0.8
173.13257	2.2
173.82576	0.9
175.11250	3.9
177.03262	16.7
177.12740	0.9
179.04846	71.4
180.05135	1.0
181.06036	1.9
185.03806	4.3
186.02139	0.9
187.05336	2.8
187.14900	2.0
189.11183	1.2
193.12221	10.0
203.14415	0.8
211.13297	1.4
215.04852	2.6
216.03525	0.8
227.12761	2.1
231.04376	2.2
233.05902	20.8
240.48622	0.7
243.21149	2.5
245.05881	3.2
249.14687	0.9
250.12636	1.8
257.19125	0.9
261.22153	7.7
267.15903	38.3
268.16281	2.0
271.17062	0.9
273.18509	1.3
275.19965	4.4
278.12015	0.8
288.06476	2.1
289.04807	1.0
289.17908	3.7
290.07895	1.5
291.06400	2.3
291.19547	2.4
301.25101	1.2
306.07513	1.3
308.09085	100.0
309.09442	4.3
317.24759	1.3
333.24301	1.3
335.25784	36.2
336.26093	1.7
349.23730	2.9
363.21609	1.7
365.23145	1.4
367.24796	3.4
381.22592	2.5
435.32535	0.9
453.33585	1.9
527.37378	15.2
528.37677	2.1
545.38385	5.6
655.41333	4.4
656.41370	2.1
673.42877	5.2
705.41138	4.9
706.42358	1.0
731.43689	1.0
759.41681	1.4
777.43256	1.6
787.90485	0.9
834.45166	2.9
852.45679	5.1
987.26013	0.9
1033.50073	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	1032.531
Annotation	Unknow
Peak:m/z	Relative Intensity
72.72952	0.9
76.02232	64.3
76.04009	2.9
79.05495	17.5
80.05023	1.6
81.03422	30.5
81.07060	17.8
83.04988	2.4
83.08620	7.6
84.04507	19.3
85.02911	1.4
85.04025	2.8
86.99075	2.9
88.02211	1.6
91.05480	15.5
93.07044	17.2
95.04974	17.8
95.08611	10.2
96.71914	1.1
97.02884	2.0
97.06520	1.9
105.07026	9.0
107.04965	2.6
107.08611	6.6
109.06548	1.6
109.10162	5.4
111.08079	3.0
112.07606	13.0
113.06020	2.9
113.16815	1.0
115.05414	1.5
116.01680	19.9
117.07055	3.3
119.08589	7.5
121.06536	1.0
121.10169	7.6
123.11732	1.8
123.35557	1.1
129.06979	4.2
130.05014	11.1
131.04521	1.4
131.08551	6.1
133.10118	4.1
135.11708	3.6
142.03244	10.5
144.01170	11.3
145.06111	1.3
145.10127	3.2
147.08107	1.7
147.11700	5.5
149.09671	2.3
149.13255	1.9
153.12837	1.0
157.10139	4.8
159.11719	1.5
161.13264	1.7
162.02214	35.4
162.03574	1.7
170.02742	3.8
175.11267	3.0
176.09140	1.1
177.03311	4.0
179.04858	67.5
185.03874	1.3
187.05463	3.3
193.12222	8.6
209.09773	1.1
215.04900	2.3
224.12776	3.3
227.12732	1.3
233.05925	19.6
243.20992	1.8
245.05994	2.6
261.22223	5.3
267.15942	31.3
268.16367	1.9
284.15018	1.5
290.08154	1.5
291.06314	2.4
308.09119	100.0
309.09360	2.3
317.24683	1.5
335.25809	24.8
336.26407	1.4
398.43869	1.2
507.89813	1.1
527.37323	12.4
528.37463	1.1
545.38416	5.9
852.45099	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	1032.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02959	1.0
73.05814	1.0
77.03950	2.0
79.05497	61.3
79.73062	1.0
81.03410	8.6
81.07060	100.0
82.07408	2.4
83.04977	10.4
83.08620	34.2
83.09119	1.8
85.02920	5.4
85.06563	4.5
91.03941	2.1
91.05482	63.7
92.05788	1.3
93.07045	50.0
95.04971	35.2
95.08611	44.0
97.02885	2.5
97.06529	12.5
97.10181	5.1
99.04456	1.7
99.08107	5.5
103.05456	2.2
105.04550	2.6
105.07030	54.1
107.04955	23.2
107.05623	2.0
107.08596	34.2
107.09285	2.1
109.06517	27.7
109.10160	17.1
111.04480	2.5
111.08074	7.5
115.05483	2.8
117.07021	15.6
117.79449	1.1
119.08587	40.6
121.06504	12.3
121.10144	24.0
123.08087	11.0
123.11697	7.2
125.06001	1.6
125.09644	5.1
127.07607	1.7
128.06236	3.2
129.07021	6.9
131.08568	25.8
133.06519	1.6
133.10135	28.2
135.08072	8.5
135.11690	13.5
137.05966	1.9
137.09628	4.9
139.11205	2.0
141.06966	2.8
143.08545	5.7
145.05116	1.3
145.06476	2.6
145.10129	25.3
147.08072	4.2
147.11690	21.3
147.12762	1.8
149.09625	21.6
149.10718	1.9
149.13243	9.1
150.09950	1.4
151.11162	5.5
155.08565	4.3
157.10155	4.8
159.11699	15.6
161.09647	3.2
161.13318	4.4
163.11188	26.1
163.14830	1.6
165.12778	8.9
169.10147	4.2
171.11734	5.1
171.29408	1.2
171.34782	1.1
173.09662	3.9
173.11826	1.5
173.13217	6.0
175.11226	4.6
175.14873	1.2
177.12769	7.2
179.14337	2.8
183.11726	4.3
184.26591	1.1
185.11743	1.5
185.13324	2.8
187.11163	2.0
187.14832	2.0
189.11227	1.8
189.12764	2.2
191.10744	1.3
191.14383	1.9
193.12242	2.7
195.13734	1.3
197.13213	2.5
200.74225	1.3
201.12878	1.5
201.16559	1.2
205.12271	3.6
207.13733	1.2
211.14867	1.7
213.16354	1.4
215.14429	1.3
219.13878	1.6
223.13301	2.3
227.12756	1.6
229.19508	4.2
233.15419	1.1
237.14911	1.5
239.17992	4.8
247.20618	5.1
255.16045	1.5
257.18988	11.8
267.15936	2.8
269.17596	3.8
273.18491	1.4
275.20071	91.4
276.20474	4.4
293.21121	14.0
307.22647	2.3
331.22717	3.7
349.23746	88.0
350.24124	5.1
367.24786	38.4
381.26352	24.5
382.26859	1.7
427.89114	1.3
459.30588	1.4
495.89133	1.3
529.34845	1.8
543.36816	7.3
549.39648	2.1
561.37604	2.2
567.40430	2.1
575.39587	7.8
605.41656	2.0
623.43079	61.9
624.43604	7.2
641.44073	49.6
642.44177	6.1
655.45630	19.1
656.46057	1.3
659.45093	5.1
673.46710	50.4
674.46686	5.3
691.47491	1.5
1033.52222	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	1032.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	1.2
76.04392	0.7
78.77260	0.7
79.05493	45.4
81.03423	4.8
81.07056	100.0
82.07389	2.0
83.04993	5.9
83.08624	13.5
85.02904	4.0
85.06544	4.4
87.04494	0.9
91.03949	2.0
91.05480	38.3
92.90825	0.6
93.07048	32.4
95.04973	13.9
95.07982	1.5
95.08604	28.9
97.02911	2.4
97.06533	11.8
97.10187	1.7
98.23316	1.5
99.04459	0.8
99.08060	3.7
103.05462	1.5
105.04501	1.3
105.07032	37.9
107.04958	10.3
107.08590	22.0
107.09293	1.4
107.29489	0.7
107.83261	0.8
108.29590	0.6
109.06518	27.6
109.10163	10.5
111.04431	4.5
111.08089	4.1
113.09653	1.6
115.05457	1.4
117.07021	11.1
118.96452	0.7
119.08582	26.4
120.08871	1.1
121.06467	5.9
121.10144	16.2
123.08072	9.9
123.11717	8.0
125.05962	1.6
125.09644	2.6
127.03930	1.0
128.06247	0.9
129.06989	4.0
131.08574	15.3
133.06482	2.1
133.10132	16.8
135.08072	6.2
135.11697	9.4
137.09644	5.3
139.11188	1.8
141.07002	1.6
143.08583	3.0
145.04941	1.0
145.06497	1.4
145.10118	14.7
147.08081	3.4
147.11690	19.6
149.09622	11.6
149.13274	8.8
151.07491	0.8
151.11136	3.8
155.08571	2.3
157.10155	3.7
159.08095	1.0
159.11685	8.8
161.09657	1.6
161.13248	3.8
163.11171	8.1
163.14821	3.1
165.12752	6.4
167.10699	0.8
169.10132	2.2
171.11702	2.9
173.09660	1.5
173.13235	4.9
175.11209	2.6
175.14929	0.8
177.12762	2.1
179.14355	1.6
183.11725	2.8
185.13364	1.1
187.11163	1.7
187.14946	1.7
189.12704	0.9
191.14339	1.2
193.12294	2.3
197.13313	1.3
201.12730	1.9
201.16376	0.7
205.12173	1.0
206.27934	0.8
207.13829	1.3
215.14230	0.8
215.17961	1.2
229.19545	3.4
239.18028	1.8
247.20514	5.9
257.19025	5.5
267.16013	2.7
269.17734	1.1
275.20071	75.5
276.20435	2.8
289.21359	0.8
293.21088	8.9
307.22601	5.1
349.23718	59.4
350.24146	3.4
365.23184	0.8
367.24774	35.8
368.24966	1.7
381.26340	34.8
382.26688	2.3
431.79617	0.8
446.77753	0.9
459.31390	1.6
543.37628	1.4
549.39038	1.3
559.36298	1.1
575.39667	1.4
623.43060	47.6
624.43475	5.0
639.04620	0.9
641.44092	38.8
642.45020	4.6
655.45679	14.8
656.45978	2.1
659.45087	7.7
673.46680	40.6
674.47168	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	1034.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04723	0.5
79.05528	0.1
81.03427	1.3
89.03915	9.6
90.04201	0.1
91.05482	13.2
92.05823	0.2
95.04984	0.1
97.02877	0.1
98.22447	0.2
99.04451	0.2
103.05453	0.2
106.04191	0.4
107.04887	0.1
109.02874	3.0
109.03578	0.2
117.03382	20.2
118.03725	0.4
119.04944	21.9
120.05234	0.6
121.06535	0.1
124.05258	0.2
127.03939	0.6
129.04501	0.1
134.03622	1.4
135.04416	1.1
135.59476	0.1
137.05920	0.1
145.02849	48.9
146.03168	1.2
147.04410	91.1
148.04735	2.4
149.05978	6.9
158.06075	0.2
162.03116	0.2
163.03914	0.3
175.58357	0.1
177.05469	100.0
178.05812	2.9
179.03333	0.2
186.05547	0.8
191.11499	0.1
195.06546	0.2
234.93956	0.1
240.91121	0.1
255.06424	0.2
259.09692	1.1
271.02542	0.2
273.07565	1.9
285.07471	0.4
303.08630	1.0
321.09512	0.5
339.10672	0.3
340.63190	0.1
449.12308	1.3
485.13904	0.2
661.19086	1.1
1039.64307	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	1034.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
77.72779	0.4
81.03427	1.3
89.03918	9.7
91.05489	11.9
103.05478	0.5
106.04179	0.9
109.02876	3.6
117.03384	19.7
118.03679	0.5
119.04951	22.9
120.05151	0.4
123.71880	0.4
127.03919	1.6
134.03647	1.7
135.04422	1.3
145.02855	46.1
146.03192	0.7
147.04413	99.7
148.04724	2.6
149.05995	6.2
167.07053	1.1
177.05475	100.0
178.05777	3.3
181.04938	0.7
186.05681	1.0
199.46283	0.4
240.39502	0.4
259.09671	1.1
273.07486	3.0
303.08578	1.7
321.09811	0.7
339.10571	0.5
385.12650	0.5
449.12073	1.4
485.14182	1.4
613.22821	0.6
661.18756	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	1034.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02916	1.3
77.03923	1.9
79.05497	78.5
81.03419	16.3
81.07061	100.0
82.07401	2.1
83.04990	24.2
83.08624	44.9
85.02904	11.2
85.06552	4.1
91.05485	62.3
92.05847	1.8
93.07050	60.8
95.01324	3.0
95.04974	82.4
95.08610	38.1
97.02929	3.8
97.06540	15.1
97.10177	29.2
99.04460	5.7
99.08110	4.5
103.05470	3.8
105.04540	2.9
105.07035	52.5
107.04966	29.8
107.08598	49.1
109.06527	19.9
109.10164	21.2
111.04455	22.2
111.08086	14.7
115.03982	1.5
115.05477	4.0
117.07018	25.5
119.04970	2.1
119.08582	40.9
121.06522	14.7
121.10151	30.3
121.11020	2.1
123.04487	1.6
123.08081	25.6
123.11707	4.3
125.06017	3.7
125.09640	29.7
128.06198	3.8
129.07025	13.9
130.07788	2.7
131.08580	31.8
132.08885	1.7
133.06508	5.7
133.10150	26.3
135.08076	12.7
135.11684	18.1
137.09657	6.3
139.07504	1.8
139.11226	4.2
141.06975	3.3
142.07784	2.2
143.08549	9.9
145.06517	4.7
145.10126	36.5
146.10603	1.2
147.08052	17.4
147.11673	15.8
149.08580	1.1
149.09625	39.3
149.13266	4.0
151.11240	4.5
153.09122	4.5
153.12732	6.3
155.08591	5.0
157.10112	9.3
159.08061	3.7
159.11716	18.4
161.09602	12.1
161.13277	5.2
163.11191	49.6
164.11536	2.5
165.09122	5.9
165.12808	6.4
169.10159	5.1
171.10280	2.3
171.11707	8.0
173.09673	5.2
173.11914	1.7
173.13295	5.6
175.11209	7.6
175.14941	1.3
177.12758	7.1
181.10391	1.8
181.12259	9.2
182.37712	1.4
183.11610	6.8
185.09656	2.7
185.13283	4.4
187.11208	5.4
189.11235	29.3
189.12756	3.2
191.10677	9.0
193.12292	3.5
195.11714	1.8
197.13193	3.2
199.11122	2.5
199.14796	2.1
201.12784	2.6
203.14323	1.8
205.12189	6.7
209.11783	2.0
211.13208	2.4
213.16333	2.1
223.13284	51.4
224.13562	2.7
227.12802	24.4
227.17963	3.9
228.13065	1.9
229.19565	3.6
237.16441	2.3
239.17979	4.3
245.19034	4.8
247.20618	3.3
249.15042	1.5
255.17476	6.0
257.19037	8.3
263.20279	3.2
267.15945	1.7
273.18500	50.3
274.18875	2.7
275.20068	79.7
276.20407	4.0
283.15454	6.8
291.19550	86.1
292.19891	4.2
293.21127	49.7
294.21481	3.0
309.20621	8.6
311.22430	1.6
329.21161	3.0
331.22659	1.7
347.22147	24.7
349.23761	43.9
350.23956	2.6
365.23260	65.8
366.23633	3.9
367.24805	71.5
368.25067	5.6
383.24344	23.2
511.33807	1.5
519.33099	4.2
529.35638	4.1
537.34174	3.2
547.37756	2.4
559.36115	3.5
565.38818	2.7
575.35254	2.4
621.41449	15.6
622.41418	2.0
639.42523	62.5
640.42700	7.6
657.43634	79.1
658.43890	10.5
675.44690	37.9
676.44843	5.0
711.43329	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	1034.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
72.16153	1.2
76.25830	1.3
79.05495	45.8
81.03414	9.8
81.07056	100.0
83.04976	9.4
83.08608	18.3
83.65084	1.6
85.02908	4.8
85.06536	2.4
91.03975	2.5
91.05482	45.5
93.07043	34.6
95.04969	16.8
95.08611	25.9
97.02909	1.9
97.06548	10.8
97.10181	13.8
98.22752	1.9
99.08104	3.5
105.07027	38.2
107.04951	14.2
107.08588	27.7
108.08908	1.6
109.06519	26.2
109.10139	12.2
111.04426	7.9
111.08109	7.5
113.06011	1.5
115.05447	2.8
117.07030	12.3
119.08588	33.8
121.06535	9.4
121.10139	15.8
123.08069	16.7
123.11712	6.1
125.09639	12.3
129.07016	6.9
131.08589	17.3
133.06497	3.1
133.10136	18.1
135.08063	8.2
135.11688	11.1
137.09634	6.0
141.07010	2.1
142.07771	2.1
143.08588	5.5
145.06458	2.9
145.10130	16.3
147.08051	8.5
147.11685	17.8
149.09633	11.8
149.13292	5.1
151.11250	2.7
153.09131	1.9
153.12762	2.0
155.08562	2.4
157.06526	1.8
157.10173	6.4
159.11673	9.1
161.09631	5.3
161.13298	2.4
163.11198	16.3
165.09050	3.0
165.12810	3.8
169.10135	2.0
171.10330	1.6
171.11664	3.4
173.09695	3.5
173.13322	4.3
175.11215	5.3
177.12669	3.6
181.12238	4.4
185.13242	1.7
187.11139	2.3
187.14760	2.3
189.11237	10.1
191.10645	3.3
193.12254	3.6
197.13321	2.5
213.16425	2.9
223.13449	3.4
227.12723	10.0
229.19408	1.7
239.18088	2.2
243.08005	1.7
245.14020	2.3
245.19109	4.0
247.20563	3.1
255.17490	2.9
257.19040	6.0
267.15906	3.6
273.18503	31.0
275.20050	55.5
276.20459	4.0
283.15543	2.9
291.19553	50.6
291.22757	3.1
292.19977	3.0
293.21106	12.6
309.20483	5.9
347.22125	12.9
349.23734	38.1
350.23856	2.3
365.23218	46.0
366.23492	3.5
367.24771	52.4
368.25082	4.2
371.29691	1.5
382.10388	1.9
383.24152	14.8
519.33228	5.3
559.36200	2.3
575.35388	2.3
583.39240	1.8
621.41339	10.9
622.41541	2.0
639.42615	46.4
640.42792	6.0
657.43652	56.5
658.43738	9.6
675.44507	33.1
676.44855	5.8
1022.03668	2.0
1035.47620	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	1034.589
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	65.9
81.03423	14.6
81.07059	100.0
82.07365	3.1
83.04987	19.1
83.08624	40.2
83.61897	1.6
85.02899	6.5
85.06544	7.1
87.70280	1.5
91.03954	2.2
91.05481	65.4
92.05807	2.7
93.07047	59.4
94.07383	1.8
95.01354	1.7
95.04974	44.0
95.08611	39.0
97.02897	3.9
97.06539	18.0
97.10182	15.5
98.22619	3.8
99.04461	2.4
99.08096	4.3
103.05451	2.4
105.04497	2.4
105.07035	56.5
107.04956	27.5
107.08597	40.4
109.06522	23.6
109.10148	23.9
111.04459	9.8
111.08086	10.7
115.05476	3.3
115.07607	2.1
117.07009	24.1
119.05001	2.0
119.07787	2.8
119.08588	41.9
121.06527	15.8
121.10160	27.9
123.08060	19.3
123.11695	6.1
125.09647	20.5
127.03914	2.3
128.06200	3.6
129.07030	9.8
130.07779	3.5
131.08582	28.5
133.06516	4.5
133.10136	37.5
135.08081	14.1
135.11684	17.0
137.09612	8.0
139.11163	2.8
141.06972	4.4
143.08597	10.6
145.06503	3.9
145.10135	30.6
147.08072	15.0
147.11671	21.3
147.91153	2.0
149.09621	28.2
149.13251	6.7
150.10008	1.7
151.11172	8.9
153.09076	2.4
153.12724	4.2
155.08609	4.1
157.10129	10.0
159.08105	1.6
159.11731	17.9
161.09636	10.1
161.13254	7.6
163.11176	36.3
165.09068	3.0
165.12766	6.8
169.10133	6.3
171.11668	8.0
173.09653	6.3
173.13246	5.5
175.11168	8.0
177.12737	6.6
181.10135	2.3
181.12219	5.2
183.11681	3.9
184.07355	4.4
185.11775	2.0
185.13187	3.6
187.11121	4.7
189.11212	10.0
189.12749	3.3
191.10669	4.7
193.12186	3.5
199.11221	1.6
205.12227	3.2
207.13745	2.0
213.16283	3.0
214.31523	1.4
215.14403	2.4
223.13271	13.5
227.12747	12.8
227.17963	4.3
229.19551	4.0
239.18005	4.0
245.19067	6.0
247.20587	3.6
253.14372	7.3
255.17424	4.6
257.18954	10.4
267.15878	3.1
269.17538	4.6
273.18503	42.4
275.20071	72.5
276.20386	5.6
283.15540	3.8
285.16885	4.2
291.19543	56.7
293.21106	20.9
309.20551	6.3
329.21152	2.8
331.22623	2.0
347.22177	25.9
349.23758	62.3
350.24133	3.8
365.23242	58.3
366.23514	2.9
367.24820	53.2
368.25150	2.9
383.24246	22.0
519.33093	3.2
529.35388	3.5
541.35126	2.1
543.36591	3.5
547.37238	3.2
557.35046	2.1
559.36267	17.1
561.37347	1.9
565.39056	2.0
575.35309	2.5
577.37543	8.1
585.01575	2.0
621.41467	14.5
639.42493	64.0
640.43353	8.8
657.43616	63.0
658.43597	7.0
675.44757	34.5
676.44641	3.9
1035.51758	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	1037.248
Annotation	Unknow
Peak:m/z	Relative Intensity
85.94895	0.6
119.04955	1.3
147.04482	2.4
148.04776	0.8
177.05592	1.5
196.65324	0.7
234.85754	0.6
260.88428	0.6
274.21158	0.6
379.93723	0.8
404.01163	0.7
409.03806	0.7
554.47607	0.7
795.85699	0.7
1037.24707	100.0
1038.24963	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	1039.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03814	1.7
91.05379	1.7
98.22610	0.2
117.03378	2.9
119.04949	2.9
127.03744	0.2
133.44641	0.2
145.02856	6.8
146.03084	0.4
147.04414	8.6
148.04642	0.5
149.02100	1.0
149.05862	0.7
160.34442	0.2
169.02615	4.1
170.67842	0.2
177.05482	8.9
178.05719	0.5
179.05887	0.2
186.05341	0.2
187.03677	1.4
199.03668	6.0
217.04739	1.3
245.78496	0.2
252.77802	0.2
259.05737	0.2
313.06689	0.5
331.07639	0.2
343.07874	4.5
353.01660	0.2
361.08871	1.4
363.08340	0.7
435.10617	0.8
489.11502	1.1
507.12839	1.0
525.13678	1.1
537.13422	0.2
683.17297	2.2
701.18408	47.8
702.18634	3.9
714.71472	0.2
1039.28418	100.0
1040.28687	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	1039.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	1.8
79.05496	1.9
81.03409	1.3
81.07056	2.1
83.01112	0.2
83.04988	0.9
83.08621	1.1
85.02903	2.9
85.06593	0.2
87.04485	0.3
91.03959	1.7
91.05474	1.7
93.07040	1.8
95.04986	1.4
95.08582	1.2
97.02899	3.6
97.03515	0.2
97.06557	0.4
97.10198	0.6
99.04495	0.7
101.02370	0.9
103.05498	0.2
105.07027	1.2
106.07464	0.2
107.04962	0.5
107.07996	0.2
107.08613	1.3
109.02914	0.5
109.06544	0.3
109.07283	0.2
109.10194	0.4
111.04430	0.8
111.08108	0.4
115.03939	0.3
117.07073	0.6
119.08597	0.7
121.06569	0.4
121.10180	0.6
123.08109	0.6
125.09661	0.8
127.03944	0.8
129.05534	0.2
131.08633	0.5
133.10170	0.5
135.11684	0.2
145.10188	0.8
147.08119	0.2
147.11766	0.5
149.09660	0.7
149.13388	0.2
157.10161	0.3
159.11778	0.3
163.11246	0.9
177.12851	0.2
181.12424	0.2
185.04248	0.9
201.03851	0.5
203.05409	0.7
211.42952	0.2
223.13472	0.4
241.06932	0.2
243.08434	2.3
259.07986	0.4
275.20264	0.7
301.09006	0.4
313.09216	0.4
315.10458	0.2
315.18167	0.2
319.19055	0.2
329.08551	0.2
333.20261	1.1
347.09537	2.3
349.19656	1.2
351.20404	0.6
363.08743	0.8
365.10455	1.0
373.11499	0.2
383.16583	0.3
389.22903	1.0
391.71329	0.2
405.13708	6.2
405.22592	0.5
406.14505	0.3
451.19571	0.4
463.14542	0.4
477.15982	0.2
497.20358	0.3
516.64160	0.2
531.20245	0.3
533.22363	0.2
545.22571	0.4
551.28290	6.2
552.28711	0.3
567.27795	3.1
613.25061	0.8
623.30341	0.3
713.33569	6.0
714.33948	0.6
715.44379	0.3
729.32996	4.7
730.33539	0.3
761.41473	0.3
785.36322	0.6
855.44208	0.2
877.49152	1.2
923.45795	0.5
969.45197	0.2
1039.54492	100.0
1040.54688	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	1039.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02927	1.8
79.05504	1.6
80.06214	0.2
81.03410	1.2
81.07056	2.7
83.04994	0.6
83.08644	0.6
85.02914	3.2
91.03963	1.9
91.05480	1.3
93.07057	1.3
95.05005	0.7
95.08629	1.0
97.02895	3.5
97.03416	0.3
97.06549	0.4
97.10205	0.9
99.04489	0.5
101.02368	1.0
103.23742	0.2
105.07063	0.9
107.04982	0.6
107.08596	1.6
107.66453	0.2
109.02903	0.6
109.06578	0.5
109.10180	0.4
111.04493	0.3
111.08107	0.3
115.03970	0.3
119.08636	0.8
120.67435	0.2
121.06563	0.5
121.10191	0.5
123.08107	0.4
123.11722	0.4
123.98708	0.2
125.09656	0.5
127.03959	0.7
129.05521	0.3
129.07002	0.3
131.08554	0.4
132.60574	0.3
133.03662	0.2
133.10165	0.4
135.11787	0.5
139.39661	0.2
145.10208	0.4
147.11768	0.6
149.09665	0.4
185.04320	0.6
201.03801	0.8
203.05431	0.7
206.91135	0.2
209.10204	0.2
241.07123	0.2
243.08372	2.2
257.06409	0.3
275.20157	0.5
291.19711	0.5
300.34805	0.2
301.09219	0.6
318.21271	0.2
319.19293	0.3
333.20273	1.5
347.09534	2.6
349.20010	1.1
363.09232	0.9
365.10721	0.8
369.15485	0.3
383.16888	0.3
389.23123	0.6
405.13730	6.8
405.22705	0.6
406.14426	0.3
423.20377	0.5
451.19879	0.7
463.14645	0.7
469.21017	0.3
475.14285	0.4
477.15854	0.3
481.20660	0.3
533.22284	0.5
545.22345	0.3
551.28387	3.0
567.27765	4.2
585.25574	0.7
613.24854	0.7
623.30426	0.3
643.25745	0.3
645.27887	0.3
673.27057	0.2
713.33551	4.5
714.33984	0.7
729.32983	6.7
730.33307	0.8
749.40039	0.3
877.49261	1.5
911.47076	0.3
923.46436	0.6
970.45874	0.3
999.06445	0.3
1039.54492	100.0
1040.54724	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	6.6
59.07380	2.0
60.08164	56.3
61.08493	0.7
69.03449	0.2
70.46259	0.2
70.46574	0.3
72.89299	0.2
81.02171	0.1
83.17318	0.1
86.09700	0.2
87.04485	0.4
88.18372	0.1
96.27222	0.1
104.10743	100.0
105.10440	0.2
105.11072	2.4
119.18880	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	104.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.7
59.75729	4.5
64.92815	14.3
65.03942	4.8
69.75157	20.2
79.05494	47.5
84.26430	4.1
90.28194	4.2
91.19969	4.0
95.04974	22.6
96.04491	4.5
96.41279	4.3
98.23232	7.8
103.05482	27.6
105.04532	12.2
105.07032	100.0
106.06564	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	1046.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
73.36787	0.6
81.03423	1.4
89.03906	2.1
91.05485	9.9
99.04434	0.6
103.05461	0.6
109.02873	3.0
117.03381	4.3
119.04941	18.9
127.03924	6.4
136.32378	0.6
145.02829	9.1
147.04407	100.0
148.04738	2.9
149.05949	1.4
169.68623	0.6
177.05469	15.5
177.07013	0.8
255.06583	1.3
273.07571	19.6
429.65945	0.6
443.30304	0.6
455.13431	8.1
589.34424	0.7
757.27704	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	1046.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
72.79206	0.1
75.02349	0.1
75.83875	0.1
77.03941	0.2
78.04715	0.5
81.03422	2.8
85.02919	0.4
87.14059	0.1
89.03915	8.3
90.04211	0.1
91.05481	13.6
92.05814	0.2
95.04941	0.1
97.02874	0.2
98.22554	0.2
99.04466	0.6
103.05474	0.2
106.04185	0.4
109.02884	3.9
117.03383	17.0
118.03728	0.2
119.04943	23.2
120.05282	0.3
121.06507	0.2
124.05162	0.2
127.03912	3.4
131.04926	0.1
134.03615	1.5
135.04434	1.0
145.02852	42.1
146.03152	1.0
147.04408	100.0
148.04745	2.3
149.05972	5.7
150.06435	0.2
158.06036	0.3
162.03174	0.2
163.03926	0.4
177.05467	93.4
178.05806	2.3
179.03389	0.5
186.05505	1.1
187.06007	0.1
195.06458	0.1
218.41394	0.1
229.08623	1.4
229.91908	0.2
255.06566	0.2
273.04630	0.1
273.07590	2.1
303.08588	0.3
363.10727	2.6
381.11737	1.8
449.12271	1.7
631.18170	1.2
632.17828	0.2
719.82367	0.1
1041.22961	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	1046.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
75.21889	0.2
76.78084	0.2
81.03432	1.1
86.68730	0.2
89.03922	7.1
89.85775	0.2
91.05485	13.9
92.05836	0.3
98.22571	0.9
106.04159	0.3
109.02876	2.4
117.03382	13.0
119.04949	24.2
120.05261	0.4
127.03943	1.4
134.03659	1.3
135.04420	0.8
145.02852	30.3
146.03188	0.7
147.04413	100.0
148.04744	2.6
149.05980	4.7
157.02686	0.2
177.05475	62.2
178.05782	1.3
179.03459	0.5
186.05536	0.8
219.06448	0.3
229.08560	0.7
235.36008	0.3
273.07526	1.5
303.08661	0.5
321.19647	0.3
339.98697	0.3
363.10883	0.5
381.11667	0.6
419.11273	0.6
449.12100	1.1
631.17682	0.6
869.77167	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	3.2
51.02382	11.3
51.67253	0.3
52.02721	0.4
53.00313	0.6
53.03948	73.3
54.04284	2.4
55.01871	4.9
60.73967	0.4
62.36354	0.3
63.04866	0.3
65.03925	0.4
68.99800	0.4
70.44839	0.3
70.96631	0.5
70.96944	0.4
77.03929	17.5
79.05496	6.7
81.03417	7.2
86.21636	0.3
95.04970	100.0
96.05302	2.8
97.05341	0.3
103.03449	0.4
103.05475	4.1
105.03388	64.7
105.04510	43.3
105.07024	12.1
106.03723	2.4
106.04855	1.5
106.06566	1.6
106.07322	0.4
108.01430	0.3
118.06539	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	3.0
51.02384	11.7
51.89265	0.5
53.03951	91.2
54.04283	2.0
55.01868	4.8
57.59728	0.5
68.99809	0.8
70.43039	1.6
77.03935	23.7
78.04257	0.5
79.05495	4.7
79.18591	0.5
81.03421	9.4
83.82811	0.6
87.94482	0.6
95.04973	100.0
96.05309	3.2
103.05487	3.9
105.03401	66.5
105.04524	46.2
105.07021	7.2
106.03727	1.5
106.04871	1.6
118.06590	0.8
120.61742	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	3.2
51.02386	10.9
53.00314	0.6
53.03949	77.3
54.04287	1.8
55.01873	4.5
58.99586	0.5
61.01152	3.7
65.03938	0.5
65.80056	0.5
68.99809	0.8
77.03932	16.9
78.04270	0.8
79.05495	17.6
81.03419	9.5
82.44083	0.5
95.04972	100.0
96.04504	0.6
96.05305	2.8
103.05473	10.3
105.03396	64.0
105.04517	44.1
105.07033	25.7
106.03695	2.2
106.04851	1.2
106.06561	19.3
106.07267	0.7
118.06535	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	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01582	0.5
50.01922	0.5
50.52813	0.5
51.02385	3.0
53.03952	15.3
55.01869	0.8
65.03938	1.2
70.42783	0.6
77.03938	3.1
79.05498	55.6
80.05829	1.4
81.03418	1.0
91.05486	4.8
95.04362	1.0
95.04976	17.4
98.22559	0.9
102.04686	0.6
103.05479	36.1
104.05805	1.6
105.04554	7.2
105.07037	100.0
106.06556	4.4
106.07369	4.3
110.31142	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01592	0.4
51.02381	2.3
53.03948	13.5
55.01868	0.7
66.15292	0.2
71.10208	0.3
77.03935	5.3
79.05495	57.4
80.05840	1.8
81.03438	1.5
89.60517	0.3
95.04971	17.0
96.05306	0.6
102.04646	0.3
103.05473	42.4
104.05788	1.7
105.04536	7.7
105.07032	100.0
106.04889	0.3
106.07372	3.7
115.37753	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
50.01604	0.8
51.02379	2.7
53.03949	13.2
54.04281	0.4
55.01877	1.1
59.03413	0.2
64.85001	0.2
65.03954	0.3
69.59144	0.9
77.03933	5.9
79.05495	56.7
80.05835	1.5
81.03409	1.7
95.04972	17.0
96.05324	0.7
102.04721	0.2
103.05471	42.0
104.05764	1.6
105.04536	8.2
105.07031	100.0
106.07366	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.9
51.02379	1.4
53.03949	8.6
54.04279	0.3
55.01874	0.7
60.20740	0.1
63.02354	0.1
65.03946	0.2
68.99804	0.1
73.32052	0.1
77.03928	5.3
79.05493	60.7
80.05824	1.9
81.03419	1.6
89.19762	0.1
95.04969	17.9
96.05312	0.6
98.22472	0.2
102.04682	0.3
103.05471	43.3
104.05772	1.9
105.04539	8.2
105.07028	100.0
106.04857	0.3
106.07352	4.4
118.06523	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.9
51.02381	2.3
53.03948	13.3
53.71493	0.2
55.01871	1.0
56.09493	0.2
65.03974	0.3
69.14507	0.9
69.14935	0.9
76.78939	0.3
77.03927	5.3
79.05492	62.2
80.05827	1.6
81.03423	1.3
95.04966	18.0
95.05865	0.4
96.05315	0.5
103.05466	44.7
104.05775	1.9
105.04526	7.8
105.07027	100.0
106.04876	0.3
106.07362	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.6
51.02382	2.1
53.03950	14.3
55.01871	0.9
66.92472	0.2
67.36015	0.3
70.45877	0.4
70.46217	0.4
77.03930	5.8
79.05495	61.2
80.05830	1.4
81.03409	1.9
81.30443	0.2
95.04971	18.9
96.05302	0.6
98.50208	0.3
99.12706	0.2
103.05472	45.3
104.05764	1.6
105.04534	7.8
105.07033	100.0
106.07375	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	1050.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06558	1.2
91.05527	0.2
95.04973	44.0
96.05267	0.6
97.02905	0.1
107.79638	0.1
113.06010	100.0
114.06347	1.5
131.06979	0.3
155.07060	1.6
173.08101	8.1
174.08464	0.2
207.10269	0.3
215.09187	0.9
225.11223	15.8
226.11609	0.4
267.12292	0.9
285.13339	21.1
286.13620	1.1
327.14301	0.3
337.16452	3.5
338.16718	0.2
345.15582	1.1
379.17496	0.1
387.16217	0.1
397.18604	2.5
398.18857	0.3
449.21426	0.2
457.20709	3.1
458.20871	0.2
509.23749	0.9
569.25555	0.6
583.27448	0.1
629.27356	0.4
681.30792	0.2
688.23895	0.1
836.39087	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	1050.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03912	1.7
79.05493	53.7
81.03434	13.0
81.07060	84.3
82.07357	2.0
83.04989	14.5
83.08624	17.5
85.02908	7.5
85.06544	2.3
91.04910	2.5
91.05482	41.3
92.05860	2.4
93.07040	39.0
95.01350	1.6
95.04971	27.0
95.08615	21.9
97.02882	2.3
97.06541	9.8
97.10175	27.6
99.04491	2.0
99.08086	4.4
103.05441	2.7
105.07033	38.4
107.04962	17.2
107.08598	25.4
109.06535	11.6
109.10157	16.5
111.04453	16.6
111.08070	9.8
115.05431	4.5
117.07014	14.2
119.04897	1.9
119.08574	28.6
121.06508	14.4
121.10148	14.0
123.08074	26.3
123.11656	2.4
125.05992	2.3
125.09620	25.0
128.06247	4.6
129.07040	10.4
130.07835	2.0
131.08554	15.2
133.06520	7.4
133.10129	14.0
135.04401	1.8
135.08044	11.1
135.11713	11.8
137.09601	6.5
139.11179	2.6
141.06912	2.1
142.07788	2.2
143.08583	10.3
145.06462	4.8
145.10146	20.4
147.08081	13.9
147.11682	9.5
149.09613	8.1
149.13248	3.8
151.11266	2.5
153.09154	5.1
153.12750	7.1
155.08595	2.1
157.10112	8.8
159.08044	4.1
159.11676	7.6
161.09662	12.0
163.11192	24.9
165.09155	5.8
165.12798	2.8
169.10173	4.0
171.10237	3.2
171.11716	5.1
173.09633	5.4
175.11197	8.3
177.12691	3.8
181.12262	10.4
185.13289	3.4
187.11195	2.7
189.11240	22.4
189.12778	2.4
191.10712	6.3
193.12253	7.2
198.75095	1.7
199.11188	3.2
201.12749	1.7
205.12291	1.6
209.11591	2.5
219.13667	1.7
223.13289	6.1
227.12733	21.0
245.19073	5.1
249.14828	2.1
255.17442	8.9
263.20172	3.0
273.18506	55.7
275.20020	3.4
283.15381	5.7
291.19553	100.0
292.20029	2.4
309.20581	13.1
329.21176	3.7
347.22211	22.0
360.88858	1.8
365.23254	76.7
366.23425	2.7
383.24277	34.8
474.08783	1.6
529.34833	2.4
531.33307	1.7
535.32666	6.1
541.58521	1.6
545.35651	3.8
557.34412	2.2
563.37170	2.3
619.39746	5.2
627.42029	3.1
637.40918	21.5
655.42065	47.6
656.41412	4.5
673.43073	29.7
674.42993	2.8
691.44086	11.8
698.03119	2.1
741.41681	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	1051.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03426	0.3
84.44147	0.2
89.03918	3.6
91.05485	7.3
100.41252	0.2
106.04138	0.2
109.02922	0.3
117.03386	5.3
119.04947	9.1
127.03909	0.2
129.47479	0.2
131.04955	0.2
134.03632	0.4
135.04469	0.5
145.02856	10.1
146.03250	0.2
147.04411	21.4
148.04807	0.6
149.02090	0.9
149.05951	1.2
169.02606	4.9
177.05473	10.0
178.05859	0.4
179.44052	0.2
186.05545	0.3
187.03674	1.9
199.03665	5.2
205.04463	0.2
217.04688	0.9
273.07629	0.2
313.06821	10.5
314.07376	0.4
331.08044	0.5
363.08435	1.8
403.09845	0.2
421.11118	0.3
435.10855	0.5
459.10849	0.6
477.11813	0.4
489.11911	0.7
495.12842	0.7
526.38525	0.2
653.16400	2.8
654.16693	0.3
671.17316	7.1
672.18298	0.6
888.22357	0.2
1051.28418	100.0
1052.28723	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
78.20037	0.3
83.75340	0.3
89.03805	1.1
91.05372	3.5
98.22655	0.4
117.03387	2.3
119.04940	4.9
145.02834	5.5
147.04407	15.1
147.05492	0.5
149.01955	1.0
149.05899	0.6
169.02596	4.9
177.05475	7.0
187.03697	3.3
199.03676	4.9
209.95847	0.3
217.04677	1.3
238.45497	0.3
241.04773	0.4
267.08917	0.3
276.33850	0.3
298.15985	0.3
313.06830	5.4
331.07709	1.2
333.07120	0.6
343.07883	2.1
363.08319	1.5
435.10352	0.8
459.10355	0.8
477.11606	0.8
489.11755	0.9
495.12555	1.2
507.12671	0.8
525.14063	0.3
570.23438	0.3
612.74365	0.3
653.16187	2.5
671.17352	66.6
672.17578	4.8
701.17847	0.8
713.18042	1.6
873.71985	0.3
983.99304	0.4
1051.28418	100.0
1052.28601	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	1052.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	81.0
79.89162	2.0
81.03419	15.7
81.07056	86.5
83.04989	21.4
83.08617	40.2
85.02895	14.5
85.06538	3.7
87.25069	2.3
91.05481	81.3
93.07042	69.5
93.46434	1.8
94.07413	2.3
95.04361	4.5
95.04971	87.2
95.08606	42.6
97.02903	7.1
97.06519	11.6
97.10179	18.7
99.04462	8.4
99.08110	3.3
103.05476	4.8
105.04507	2.7
105.07032	64.9
106.23933	2.5
107.04956	35.0
107.08600	52.8
108.08103	2.8
109.06519	15.2
109.10146	20.6
111.04450	15.8
111.08099	10.9
115.05488	3.3
117.01059	3.8
117.07011	30.3
119.08584	48.5
121.06488	18.1
121.10147	37.5
123.08066	24.5
123.11698	3.5
125.09623	21.4
128.06204	4.5
129.07025	11.9
130.07758	4.6
131.02600	2.8
131.08565	32.7
133.06488	7.8
133.10143	32.2
135.08043	14.9
135.11678	20.8
137.09601	8.3
139.11180	4.7
141.06961	2.5
142.07759	3.2
143.08598	12.5
145.10124	45.9
147.08052	20.4
147.11708	14.6
149.09624	50.5
149.13258	3.8
153.09027	3.5
153.12726	2.5
155.08539	5.2
157.06491	2.8
157.10161	10.9
159.08057	5.0
159.11726	16.1
161.09613	16.7
161.13226	6.2
163.11179	52.8
165.09178	3.5
165.12769	6.9
167.08600	3.7
169.10138	5.9
171.10323	2.3
171.11703	7.8
173.09645	7.6
173.13254	8.8
175.11214	7.5
177.12759	6.9
178.15924	5.7
181.12213	4.4
183.11667	3.0
185.13264	4.6
187.11169	6.0
187.14835	2.6
189.11206	16.2
189.12730	4.1
191.10724	4.1
193.12259	3.0
197.07315	5.2
199.11107	3.0
205.12222	7.7
207.16132	4.7
208.48633	2.0
209.13222	2.6
211.14745	2.8
219.13792	2.2
223.13293	59.5
227.12886	4.0
229.19525	4.3
229.88101	2.2
237.16458	3.8
239.17972	6.8
245.19037	3.8
247.20546	3.6
251.16222	2.5
255.17378	4.7
257.18933	12.9
262.17697	2.6
272.91528	2.4
273.18512	42.4
275.20059	88.1
276.20526	4.9
291.19528	57.4
292.19977	2.5
293.21124	63.2
294.21356	4.3
309.16144	10.9
327.17346	4.6
347.22189	22.4
349.23776	51.2
350.26996	6.8
363.92480	2.2
365.23233	4.5
367.24796	78.8
368.25247	4.9
383.19757	50.7
384.19855	4.0
401.20898	80.6
402.21338	3.9
619.51654	2.1
621.41370	13.0
638.19385	2.7
639.42493	27.6
640.42328	4.1
657.38257	20.2
675.40216	98.9
676.39807	8.1
684.51880	6.9
693.41193	100.0
694.41351	9.1
846.55408	4.3
1052.63208	33.7
1053.53589	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	1052.6884
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	1.4
79.05500	48.5
80.05824	1.4
81.03445	3.8
81.07066	96.6
83.04987	7.5
83.08626	14.9
85.02905	1.7
85.06563	4.3
91.05489	42.1
92.05817	1.4
93.07056	31.7
95.04984	12.3
95.08617	37.3
97.06538	9.0
97.10186	3.8
98.23369	2.0
99.08107	3.9
105.04508	1.1
105.07039	39.3
106.07357	1.0
107.04974	11.4
107.08604	20.3
107.09293	1.7
109.06531	26.1
109.07253	2.2
109.10179	12.3
111.08104	4.5
113.09668	1.0
115.05531	1.5
117.07041	10.0
119.08591	32.6
121.06532	6.4
121.10168	14.8
123.08073	8.4
123.11718	5.9
125.09712	2.1
129.07028	3.5
130.07808	1.2
131.08585	15.2
133.06541	1.5
133.10141	22.9
135.08081	6.0
135.11705	9.2
137.09634	5.7
137.13252	1.9
140.39914	1.0
141.07037	1.7
143.08588	4.3
145.10120	14.5
147.08067	3.3
147.11713	20.1
149.09648	9.0
149.13278	8.0
151.07635	1.4
151.11180	3.1
155.08627	1.8
157.10124	5.1
159.11694	9.1
161.09650	1.7
161.13257	8.1
163.11179	10.2
163.14859	2.3
165.09233	1.2
165.12804	6.5
169.10072	1.8
171.11708	3.5
173.09718	2.2
173.13287	5.4
175.11229	3.1
177.12749	3.2
179.14354	4.6
183.11711	2.3
185.13309	1.4
187.14885	2.8
191.14496	1.1
193.12271	2.4
197.13289	2.0
201.12857	1.3
207.13834	1.2
215.17856	2.0
217.15994	1.1
223.13257	1.3
229.19582	3.1
239.18001	2.8
247.20641	5.3
253.17914	6.6
257.19037	8.8
259.43085	1.0
267.15869	2.5
269.17575	3.2
275.20090	100.0
276.20462	5.8
293.21118	27.4
294.21652	1.1
349.23767	59.6
350.24139	3.3
367.24835	46.9
368.25064	2.8
435.32605	1.9
453.33694	3.3
471.34726	11.2
484.42007	1.2
489.35846	3.5
527.37207	4.4
543.36853	3.2
545.38452	15.3
546.38477	1.8
546.62769	1.1
563.39423	15.6
564.39935	1.5
583.29810	1.2
594.98767	1.2
620.62878	1.3
623.43097	28.9
624.43347	3.5
641.33917	1.8
641.44061	27.0
642.44409	2.3
659.45135	7.3
660.43860	1.4
819.57306	4.4
837.58722	13.1
838.58234	1.9
855.59613	24.9
856.59564	2.7
1047.85168	1.1
1055.78308	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	1052.6885
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03938	1.9
79.05497	39.4
81.03433	4.9
81.07059	65.7
83.01896	1.3
83.04987	5.3
83.08620	25.5
85.06576	1.3
91.05482	44.8
92.18045	1.5
93.07047	30.4
95.04971	22.0
95.08610	30.7
95.09171	2.6
97.06535	8.8
97.10161	3.3
99.08099	2.9
101.58541	1.2
105.07036	34.7
107.04952	14.8
107.08597	24.6
109.06509	20.2
109.10155	11.3
111.08109	6.9
115.05483	3.0
115.98512	1.4
117.07025	12.7
119.08585	31.5
121.06507	6.0
121.10155	17.9
123.06520	1.3
123.08078	6.6
123.11704	3.7
125.09634	4.2
129.07037	4.0
131.08582	16.2
131.65262	1.4
133.06509	2.9
133.10138	25.7
135.08069	5.0
135.11694	9.4
137.09618	5.4
141.07008	1.4
143.08592	3.7
143.68607	1.4
145.06479	1.3
145.10109	17.2
147.08073	3.1
147.11693	19.2
149.09621	17.5
149.13268	7.8
151.11177	3.3
155.08527	3.2
157.10136	5.0
159.11710	13.2
161.09592	2.2
161.13286	8.6
163.11195	19.7
163.14850	2.1
165.12787	6.9
169.10146	3.6
171.11702	4.3
173.09673	2.9
173.13254	6.7
175.11198	3.3
175.14861	1.7
177.12740	3.8
179.14369	4.1
183.11722	3.8
184.07384	1.6
187.11168	2.5
187.14828	2.6
191.14232	2.2
197.13255	2.9
223.13385	2.2
229.19511	3.2
239.17976	5.7
247.20576	5.3
253.18024	3.3
254.96432	1.5
257.18985	10.9
275.20065	100.0
276.20447	4.3
293.21121	16.8
294.21411	1.6
318.93823	1.4
349.23737	89.4
350.24060	5.1
367.24789	39.1
368.24954	1.9
459.30829	1.9
471.34686	4.3
513.35309	2.0
545.38153	4.5
549.39227	1.9
563.39374	6.6
567.40045	1.7
586.33032	1.4
620.04395	1.6
623.43066	46.3
624.43390	4.8
641.44049	39.6
642.44202	4.1
659.44727	5.9
837.57843	4.6
855.59875	10.8
856.59705	1.8
1053.59753	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	1055.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
81.57804	0.9
131.58583	1.0
147.04478	2.8
212.23300	0.8
218.72035	0.8
241.42569	0.9
257.03250	1.0
264.21060	0.9
717.15814	27.7
718.16687	2.0
829.50684	0.9
840.38733	1.0
1055.25793	100.0
1056.26343	15.6
1057.77393	0.9
1083.81494	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	1057.6428
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02931	1.3
73.34207	0.3
73.93036	0.3
79.05502	2.1
81.03434	0.5
81.07054	4.4
81.07443	0.3
83.08621	0.7
85.02918	1.5
91.04001	0.7
91.05473	2.0
93.07079	1.4
94.59083	0.3
95.05014	0.4
95.08608	2.5
97.02924	1.4
97.06538	0.3
99.04359	0.4
101.02404	0.6
105.07020	1.7
107.08620	0.8
109.06546	0.6
109.10178	0.7
119.08630	1.3
119.93845	0.3
121.10170	0.7
123.08121	0.5
127.03876	0.6
131.08640	0.6
135.11731	0.4
145.10167	0.7
147.11740	0.9
163.11211	0.4
188.31076	0.3
203.05360	0.4
204.20865	0.3
243.08510	1.3
275.20224	0.8
312.43533	0.3
315.19406	0.5
333.20578	0.9
335.26086	0.6
367.33838	0.3
389.23550	0.3
423.19839	0.5
457.56998	0.4
489.37302	0.4
529.34979	2.2
533.27740	1.1
551.28253	6.4
585.38116	0.6
696.51208	0.4
747.42896	6.2
843.48804	0.5
895.60052	0.4
969.57208	0.4
1057.64319	100.0
1058.64478	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	1057.6441
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02928	0.7
79.05526	1.7
81.03445	0.4
81.07066	2.5
81.41012	0.4
83.08643	1.2
85.02924	1.5
89.99579	0.4
91.03994	0.8
91.05498	1.2
93.07088	1.6
94.97838	0.3
95.04986	0.5
95.08645	1.6
97.02943	1.5
101.02422	0.6
105.07086	1.5
107.04996	0.6
109.06571	0.6
117.07011	0.4
119.08656	1.1
121.10199	0.5
127.03970	0.4
131.08615	0.6
133.10152	0.7
135.11729	0.5
147.11807	0.5
149.09750	0.6
163.11380	0.5
182.96579	0.4
243.08568	1.6
275.20313	0.8
315.19769	0.5
333.20499	1.1
423.20575	0.5
428.44193	0.4
529.35327	1.3
533.27301	2.1
551.28217	6.4
552.28912	0.5
747.42761	3.4
843.49023	1.0
868.21027	0.4
928.21851	0.5
970.41248	0.5
1057.64404	100.0
1058.64758	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
115.05417	0.3
119.04967	0.3
121.06536	0.3
137.06020	0.3
141.76396	0.2
145.02853	0.3
147.04454	0.9
167.07066	0.5
175.03680	5.9
176.04445	0.6
177.05389	0.3
181.05037	0.3
189.05371	0.2
203.03273	0.6
204.04045	0.6
205.04729	13.0
206.05211	0.6
217.04825	0.7
218.05511	5.6
219.06317	0.9
230.05585	0.3
231.06409	0.7
232.07054	6.0
232.09270	0.4
245.07967	0.3
246.29292	0.2
248.06592	0.2
249.07317	1.0
257.07874	0.4
261.07257	0.2
367.11795	0.2
415.13657	4.6
416.14679	0.3
421.12930	0.3
422.13330	0.3
425.11911	0.3
427.13928	0.6
429.15228	6.6
429.20807	0.4
430.15698	0.4
437.12195	0.6
438.12964	0.3
439.14066	0.9
440.14508	1.3
441.15311	0.4
445.14624	0.5
451.13519	0.3
452.14383	3.6
453.15240	1.1
466.16357	0.6
483.16632	0.2
539.69745	0.2
633.24060	0.3
635.21332	0.8
637.22473	0.4
649.22528	13.1
650.22656	1.0
661.22229	0.4
663.24164	1.7
665.22467	0.7
666.22797	0.5
667.22949	0.2
679.23596	7.4
679.35205	0.4
680.24579	0.6
681.25140	0.3
693.25958	0.9
862.30096	3.0
863.30865	1.1
1059.38281	100.0
1060.38647	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	1059.384
Annotation	Unknow
Peak:m/z	Relative Intensity
76.83478	0.2
91.05481	0.3
98.23438	0.7
103.05478	0.3
108.47366	0.2
113.50885	0.3
115.21422	0.3
119.04990	0.3
121.06596	0.4
147.04485	0.8
175.03674	7.2
176.04456	0.5
177.05403	0.6
203.03250	0.8
204.03966	0.4
205.04726	14.5
206.05154	0.5
217.04855	0.7
218.05504	7.3
219.06322	0.8
230.05598	0.4
231.06425	0.8
232.07062	7.0
233.08032	0.4
245.07994	0.4
249.07477	1.0
309.40970	0.3
372.54807	0.2
385.12714	0.3
399.15054	0.2
409.13174	0.3
415.13638	5.1
416.14496	0.4
422.13306	0.4
427.13947	1.0
429.15213	7.6
430.15674	0.3
437.12469	0.5
438.12936	0.7
439.13858	0.7
440.14401	1.5
441.15497	0.6
445.15002	0.7
451.13538	0.6
452.14410	4.1
453.15176	2.0
466.16397	0.7
483.16501	0.4
562.56140	0.3
635.21552	0.7
636.22400	0.4
637.22644	0.5
649.22552	13.0
650.23438	1.1
661.23090	0.7
663.24115	2.0
665.22583	0.8
679.23639	8.3
680.24451	0.4
681.25464	0.6
693.25659	0.9
862.29926	2.6
863.31256	1.3
1029.38696	0.3
1059.38306	100.0
1060.38733	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	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28075	0.2
51.02365	0.4
53.03946	3.2
54.04283	0.3
58.01994	0.2
63.92414	0.2
67.04242	0.4
69.81453	0.5
70.66693	0.2
77.03513	0.2
77.03902	0.9
78.03468	0.9
79.05492	19.2
80.05040	0.9
80.05823	1.7
81.03398	0.4
88.24962	0.2
89.03938	0.4
93.12907	0.2
95.04967	3.8
96.04494	2.9
96.05170	0.3
104.05804	1.0
105.04552	1.4
106.06557	100.0
107.06886	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	1064.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
75.55959	0.1
76.02238	0.1
78.04700	0.6
79.05505	0.1
79.25406	0.1
81.03426	0.6
81.07032	0.2
89.03915	10.2
90.04272	0.2
91.05483	0.6
93.07064	0.1
95.04983	0.1
103.05462	0.3
105.03380	0.1
105.67387	0.1
106.04177	0.4
109.02879	0.9
117.03378	20.2
118.03689	0.4
119.04923	0.2
121.06540	0.2
124.05213	0.1
127.03909	0.2
129.04477	0.1
134.03633	1.7
135.04428	1.4
137.05997	0.1
145.02843	47.7
146.03188	1.2
147.04399	0.6
149.05975	6.5
150.06346	0.2
158.06009	0.3
162.03174	0.2
163.03966	0.4
177.05466	100.0
178.05807	2.3
179.04846	0.2
186.05493	1.2
191.07007	0.1
195.06432	0.1
259.09634	0.3
285.07544	0.2
303.08606	1.4
308.09055	0.3
321.09650	0.3
339.10672	0.3
355.07944	0.3
453.88242	0.1
479.13409	0.8
480.13739	0.1
515.15253	0.1
691.20215	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	1064.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00648	0.9
76.02231	53.7
76.03991	2.6
77.03897	0.4
79.05495	16.6
80.05008	1.5
80.05856	0.4
81.03421	27.2
81.07058	28.9
82.07393	0.7
83.04552	0.4
83.04979	2.7
83.06112	1.6
83.08622	7.9
84.04503	14.7
85.02878	1.0
85.04026	2.6
85.06553	0.8
86.00657	0.6
86.99047	2.6
88.02227	1.1
91.05486	19.6
92.01700	0.6
92.85947	0.4
93.07049	12.2
94.06553	0.5
95.04975	12.6
95.08615	8.3
96.04486	0.7
97.01118	0.6
97.02889	1.6
97.06528	3.1
97.10162	1.6
99.05589	0.5
99.08117	0.9
100.02192	0.7
103.05428	0.8
105.04499	0.5
105.07034	16.5
107.04964	6.9
107.08603	7.1
108.04482	0.5
109.06525	7.6
109.10175	2.6
111.04434	0.9
111.08088	4.1
112.02203	0.7
112.03957	0.8
114.03756	1.4
115.05461	1.1
116.01683	16.4
117.03355	0.7
117.07011	4.0
119.07780	0.8
119.08586	13.1
121.06515	6.7
121.10149	6.2
123.04411	0.6
123.08089	3.7
123.11717	1.8
124.02176	0.7
125.09624	1.5
126.03700	0.5
128.06245	0.9
129.07037	5.0
130.05009	10.0
131.04558	1.8
131.08571	8.1
133.06532	2.0
133.10135	7.1
135.08067	2.1
135.11719	2.4
137.09602	1.9
140.01637	0.6
141.04819	0.8
141.06955	0.5
142.02182	0.2
142.03226	8.4
142.07793	1.5
143.08585	1.4
144.01160	9.3
145.02837	0.8
145.06184	1.7
145.10138	4.7
147.08038	1.8
147.11688	9.9
149.09650	4.9
149.13246	2.0
151.11185	0.6
153.06648	0.6
155.08528	1.0
157.10152	5.5
159.11690	2.6
161.09637	0.8
161.13239	1.1
162.02213	29.6
163.02574	0.6
163.11188	3.8
163.14857	0.5
165.12755	2.6
169.10147	1.0
170.02698	3.3
171.11754	1.1
173.09595	0.7
173.13281	1.5
175.11208	4.8
177.03293	5.2
177.05508	1.3
177.12782	1.2
179.04860	57.2
180.05153	0.7
181.06044	1.1
183.11685	0.9
185.03825	1.3
185.13240	0.8
187.05383	2.8
193.12238	9.4
194.12625	0.6
197.13297	0.6
201.12735	0.5
205.06461	0.5
211.13289	1.0
215.04846	2.3
223.13251	0.6
224.11136	0.5
229.19531	0.5
231.04367	1.4
232.07904	0.6
233.05914	17.2
239.17973	1.0
245.05965	3.5
247.20572	1.3
249.14862	0.8
257.18936	1.7
266.11969	0.8
267.15918	46.8
268.16266	1.9
269.17599	0.5
275.20078	16.8
276.20453	1.3
279.30533	0.4
288.06448	0.8
290.08109	1.9
291.06470	3.0
293.18024	0.7
293.21075	5.5
306.07465	0.8
308.09106	100.0
309.09372	3.7
315.23181	0.6
344.16669	0.9
349.23758	8.8
350.10071	0.6
350.24164	0.6
367.24805	16.1
368.25113	0.9
431.29144	0.5
449.30283	1.0
452.13211	0.8
467.25961	0.4
467.31525	2.7
470.14368	1.1
485.32434	1.0
523.33704	0.9
541.35242	14.8
542.35840	1.0
550.13336	0.5
559.36304	25.0
560.36456	1.8
610.31903	1.0
628.32709	0.9
719.38208	0.6
736.39325	0.6
737.39758	1.4
755.39832	1.0
756.38635	1.4
791.41479	0.8
809.41913	0.7
866.43408	1.2
884.45544	3.1
902.45544	0.7
1046.51074	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	1066.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99108	0.3
81.03434	1.9
89.03911	1.4
91.05486	8.0
98.22521	0.4
99.04444	0.8
103.05477	0.5
107.05002	0.3
108.05478	0.3
108.46713	0.3
109.02876	4.0
114.85244	0.3
117.03385	3.2
119.04948	17.4
120.05225	0.5
121.06516	0.3
123.04472	0.3
127.03918	6.7
133.02853	0.7
135.04431	0.4
137.05997	1.1
145.02859	6.7
147.04410	100.0
148.04752	2.9
149.05981	1.3
155.99718	0.6
161.06041	0.5
165.05603	0.4
167.07036	1.2
173.05913	0.4
174.00731	0.7
177.05476	8.2
178.05754	0.5
181.04893	0.6
201.05490	1.9
203.07140	0.4
213.05394	0.4
219.06485	0.5
229.08513	0.6
229.55794	0.4
233.05887	0.3
233.08009	0.3
234.08951	0.7
255.06506	0.8
264.67392	0.3
273.07574	20.8
274.07950	1.2
293.08157	0.7
305.07928	0.4
325.10437	0.6
327.81110	0.3
336.29660	0.3
337.10623	0.5
355.11969	1.5
363.10791	0.5
423.08527	0.9
424.09198	0.7
455.07294	0.5
455.13385	8.5
456.13419	0.5
495.03738	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	1066.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04716	0.3
79.05467	0.3
81.03416	2.1
85.02905	0.5
89.03917	1.3
91.05485	8.4
92.05903	0.2
97.02875	0.3
98.22626	0.4
99.04462	0.7
103.05482	0.2
105.03397	0.4
107.04971	0.3
109.02886	4.3
111.98914	0.2
115.44879	0.2
117.03379	2.7
119.04948	16.9
120.05270	0.4
121.06514	0.4
123.04412	0.3
127.03923	7.7
131.04915	0.3
133.02861	0.6
134.03586	0.2
137.05914	0.8
145.02858	7.3
145.06451	0.2
146.03210	0.2
147.04411	100.0
148.04726	2.9
149.05960	1.5
151.07538	0.5
155.99692	0.6
156.55589	0.2
157.06494	0.2
161.05925	0.4
163.03938	0.2
165.05438	0.5
167.07053	0.8
167.38219	0.2
173.05942	0.2
174.00766	0.8
175.03893	0.4
177.05473	9.5
178.05785	0.4
179.07027	0.6
181.04987	0.5
191.07063	0.2
201.05476	0.9
203.06987	0.4
205.08582	0.2
213.05527	0.3
219.06483	0.4
227.07094	0.2
229.08640	0.5
233.05946	0.3
234.08911	0.5
235.09355	0.2
255.06459	1.1
258.04382	0.2
265.08475	0.2
273.07584	20.4
274.08127	1.0
276.02023	0.2
277.08426	0.2
293.08054	0.5
305.08179	0.4
325.10760	0.8
337.10626	0.6
355.11783	1.6
363.10855	0.6
373.12839	0.3
398.13275	0.2
417.15439	0.2
419.11270	0.3
423.08487	0.9
424.09015	0.7
441.09778	0.2
446.42444	0.2
455.13394	9.8
456.13660	1.0
464.20657	0.2
475.39294	0.2
507.29465	0.2
541.16931	0.2
577.18677	0.4
649.76343	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01586	0.6
51.02379	1.7
53.00290	0.2
53.03947	9.7
54.04276	0.2
55.01873	3.0
55.81791	0.1
59.33221	0.1
65.03937	0.3
66.43761	0.1
67.01876	0.1
67.05506	0.3
68.01388	0.2
69.11307	1.0
77.03923	2.2
79.01846	0.7
79.05493	12.6
79.38223	0.1
80.05021	2.8
80.05785	0.3
81.03414	1.6
91.05486	1.4
93.05795	0.3
95.04970	12.0
96.04491	0.5
96.05302	0.4
105.04515	5.5
105.07024	0.3
106.04871	0.2
107.01347	0.6
107.04954	100.0
107.08601	0.5
108.04475	2.9
108.05287	3.7
108.08113	3.9
124.03887	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01607	1.0
51.02385	3.8
53.03952	25.0
54.04285	0.7
55.01875	2.8
63.95452	0.4
65.03944	12.2
67.05514	2.4
71.27559	0.4
77.03933	5.3
79.05499	31.4
80.05022	7.3
80.05830	1.2
81.03434	3.0
91.05486	78.6
92.05772	2.6
92.06284	1.7
93.05797	1.4
95.04974	27.1
96.04503	1.9
96.05294	0.9
103.05470	0.8
105.04528	11.6
105.07037	22.3
106.04181	1.0
106.06561	0.6
106.07355	1.1
107.04963	100.0
107.08597	21.1
108.04487	9.9
108.05294	4.5
108.08125	8.2
108.08923	1.7
109.06526	8.2
110.06776	0.5
119.06081	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01606	0.9
51.02384	3.1
53.03949	25.7
54.04283	0.8
55.01875	8.5
55.05500	0.3
56.03003	0.3
60.63269	0.3
65.03926	1.6
67.03680	0.3
67.05516	0.6
68.01381	0.5
68.99786	0.3
69.92128	1.0
77.03930	5.1
78.04277	0.3
79.01841	0.3
79.05495	39.9
80.05022	5.0
80.05790	1.3
81.03419	3.7
89.03920	0.4
91.05486	9.0
93.05795	1.0
95.04970	29.6
96.04523	0.6
96.05310	1.4
105.04517	13.2
105.07035	2.8
106.04843	0.5
107.04958	100.0
107.08590	2.4
108.04487	4.4
108.05293	4.1
108.08118	3.6
109.06535	1.0
116.66521	0.3
118.67773	0.3
119.06084	0.6
123.09070	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02380	1.0
53.03947	9.7
55.01859	4.1
65.03945	15.0
67.05502	4.3
68.01381	2.3
70.55533	1.5
70.55863	1.1
79.05493	22.6
80.05016	18.0
80.05754	0.9
81.03427	1.2
91.05483	100.0
92.05810	3.0
92.06278	2.6
93.05791	5.7
95.04961	3.5
96.04480	2.6
105.04520	0.9
105.07034	27.1
106.04163	1.0
106.07401	1.0
107.04961	9.4
107.06086	2.9
107.06872	1.9
107.08593	24.9
108.04482	16.4
108.08121	24.1
108.08860	1.3
109.06516	10.3
119.06058	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02369	0.3
53.03949	2.2
55.01872	1.1
55.05506	0.3
63.02397	0.3
65.03944	14.6
65.43238	0.3
66.04288	0.4
67.05498	2.4
77.03944	0.4
79.05497	14.3
79.33228	0.2
80.05025	3.4
80.05819	0.5
81.03436	0.3
88.05574	0.2
91.05485	100.0
92.05807	3.4
92.06281	2.5
93.05799	0.6
95.04976	2.2
96.04495	0.5
103.05460	0.9
105.04552	0.4
105.07034	27.2
106.04180	0.5
106.07373	1.3
107.04970	2.9
107.06107	0.4
107.08596	26.4
108.04491	3.0
108.08118	2.7
108.08928	1.2
109.06521	10.4
110.06837	0.4
111.42377	0.2
119.06070	9.1
120.06406	0.3
122.39210	0.2
124.05211	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03940	1.6
55.01881	0.9
55.05510	0.4
63.02379	0.4
65.03943	14.3
66.04284	0.5
67.05501	2.3
69.08234	3.2
70.44275	0.4
77.03921	0.6
79.05498	14.7
80.05014	1.8
80.05833	0.5
88.35183	0.4
91.05484	100.0
92.05783	3.0
92.06319	2.4
95.04961	2.0
98.23303	0.8
103.05457	0.9
105.04494	1.0
105.07037	25.8
106.04193	0.7
106.07375	1.4
107.04960	2.3
107.08597	27.8
108.04487	2.0
108.08112	1.8
108.08932	1.2
109.06527	10.6
110.06842	0.5
119.06067	8.2
124.05218	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03947	2.1
55.01874	1.1
55.05503	0.3
65.03944	14.3
67.05505	2.5
69.96684	0.6
77.03993	0.4
79.05498	12.7
80.05052	1.5
80.05833	0.4
89.53570	0.3
91.05486	100.0
92.05806	3.0
92.06281	2.5
93.05771	0.6
95.04976	1.6
96.04455	0.5
98.23310	0.5
103.05441	0.7
105.04527	0.5
105.07038	26.9
106.04195	0.5
106.07374	1.3
107.04967	2.8
107.08598	29.3
108.04492	2.6
108.08134	1.4
108.08929	1.5
109.06523	10.6
110.06844	0.6
113.44251	0.3
119.05206	0.5
119.06065	8.6
124.03941	0.4
124.05231	0.4
124.65334	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02381	0.7
53.03947	3.8
55.01876	1.4
65.03942	14.9
66.04282	0.4
67.05510	3.2
68.01388	0.5
69.80241	1.1
77.03926	0.7
79.05496	20.7
80.05025	3.7
80.05818	1.0
81.03383	0.5
91.05482	100.0
92.05775	3.4
92.06319	2.6
93.05779	0.9
93.96582	0.3
95.04977	2.7
96.03815	0.3
96.04453	0.9
103.05441	0.8
105.04533	1.3
105.07031	26.4
106.04165	0.6
106.06657	0.3
106.07378	1.2
107.04967	6.9
107.06089	0.7
107.08594	24.7
108.04488	3.2
108.08118	4.1
108.08914	1.2
109.06522	9.7
109.07251	0.6
110.06811	0.4
119.06067	8.3
124.05216	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	1075.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
97.02878	2.8
98.97591	0.8
115.11667	0.5
116.98622	0.8
137.43176	0.5
153.01909	1.1
157.04974	1.7
169.19485	0.6
189.00658	0.5
192.98138	0.8
195.58504	0.6
210.99161	0.9
275.02237	1.0
291.01871	0.8
301.00159	0.6
303.01761	2.6
310.98676	0.6
319.01251	5.5
321.02835	1.6
328.99860	0.7
331.01212	1.6
337.02338	2.4
340.99567	6.7
343.01169	0.8
347.00717	7.9
348.01398	1.3
359.00668	11.8
360.01453	0.9
361.02206	1.4
365.01886	3.5
366.02298	0.7
375.00101	0.9
376.01096	2.8
377.01801	100.0
378.02289	4.3
379.02356	0.8
382.02267	1.2
383.00626	0.8
389.01874	1.0
394.02118	2.9
395.02859	37.4
396.03119	1.8
400.03394	4.6
401.01971	2.0
403.03479	1.0
405.01233	1.0
407.02866	1.6
409.02579	1.1
413.02386	0.7
417.01166	0.9
418.04471	0.7
419.02902	4.7
427.03308	1.7
431.02731	0.7
437.03381	1.1
443.02850	2.1
445.04150	0.9
445.39417	0.6
455.02835	3.3
461.03595	1.1
473.03802	1.8
479.02676	0.8
497.04141	0.8
515.05243	0.7
557.06158	30.9
558.06158	2.4
575.07111	65.1
576.07220	4.7
598.08704	5.0
599.08191	0.8
643.03162	1.2
661.04938	0.9
859.10657	4.0
1075.15381	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	1076.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04720	0.5
81.03426	2.4
85.02916	0.5
86.07142	0.1
89.03917	10.2
90.52780	0.1
91.05482	12.3
92.05817	0.2
93.07032	0.2
95.04963	0.2
99.04459	0.7
103.05459	0.4
106.04173	0.4
109.02882	3.2
117.03381	20.1
118.03719	0.4
119.04946	20.5
120.05286	0.3
121.06522	0.4
127.03909	2.6
131.05028	0.2
134.03635	1.8
135.04428	1.1
145.02852	44.7
146.03200	1.3
147.04410	91.5
148.04742	2.5
149.05978	6.4
149.07227	0.2
150.06328	0.1
158.05978	0.4
162.03185	0.2
163.03932	0.3
167.07048	0.4
177.05469	100.0
178.05807	3.0
179.03400	0.2
181.04936	0.4
186.05544	0.8
195.92191	0.1
229.91440	0.2
257.08212	0.2
259.09656	1.3
273.07568	1.9
285.07385	0.2
303.08630	1.1
313.10587	0.1
313.77966	0.1
317.34134	0.2
363.10757	2.7
364.10855	0.2
381.11804	1.7
385.12704	0.2
438.96027	0.1
449.12280	1.6
526.33508	0.2
661.19232	1.2
662.18903	0.2
746.26550	0.4
747.28198	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	1076.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04677	0.6
81.03396	0.5
89.03919	9.8
90.69880	0.3
91.05488	14.0
91.24931	0.3
92.05833	0.4
96.34370	0.3
103.05466	0.5
106.04156	0.4
107.50546	0.3
109.02891	2.3
112.61569	0.4
117.03389	18.3
118.03735	0.4
119.04950	21.8
120.05296	0.8
127.03886	0.6
134.03630	1.4
135.04443	0.8
135.07841	0.3
145.02855	41.7
146.03191	1.3
147.04416	100.0
148.04723	3.2
149.05980	5.8
156.48917	0.3
177.05478	98.3
178.05789	2.9
184.16820	0.3
186.05550	0.8
193.59995	0.3
251.18098	0.3
259.09659	1.3
273.07639	1.8
276.94009	0.3
285.07626	0.5
303.08682	0.7
404.41846	0.3
449.12112	1.4
470.64294	0.4
661.18738	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	1081.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03797	2.1
91.05361	2.5
107.16014	0.3
117.03383	3.1
119.04932	3.8
145.02853	8.1
147.04414	9.8
148.04576	0.7
149.01955	1.0
149.05847	0.9
169.02589	4.9
177.05478	10.5
187.03748	1.7
199.02017	0.5
199.03654	7.3
215.15637	0.6
217.04753	1.9
226.12083	0.4
278.58176	0.3
289.06766	0.4
323.39825	0.3
343.07907	6.2
361.08942	1.8
362.08902	0.3
363.08206	1.4
403.10156	0.6
421.10764	0.5
435.10385	1.8
489.11435	1.4
507.12701	1.7
519.12549	0.6
525.13501	1.0
537.13464	0.5
683.17236	3.0
701.18396	88.0
702.18689	9.1
743.19153	0.9
1081.29504	100.0
1082.29834	15.9
1114.10901	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	1081.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04696	0.2
81.03385	0.2
83.84687	0.1
89.03920	3.7
91.05481	5.0
95.01071	0.1
98.47469	0.1
103.05442	0.1
106.95934	0.1
109.02912	0.2
117.03379	5.8
118.03727	0.1
119.04949	7.0
120.05296	0.2
134.03629	0.4
135.04433	0.6
145.02850	11.7
146.03156	0.2
147.04411	16.5
148.04749	0.5
149.02100	1.1
149.06004	1.5
162.03143	0.2
163.03903	0.2
165.08099	0.1
169.02623	3.7
177.05469	11.6
178.05836	0.4
186.05557	0.3
187.03654	1.9
199.03671	5.9
217.04683	1.3
225.84975	0.1
249.07635	0.3
260.97110	0.1
313.06992	0.4
327.36795	0.1
343.07895	8.7
344.08423	0.3
361.08865	0.3
363.08328	1.3
403.10025	0.2
421.11127	0.3
435.10657	0.4
489.11487	1.1
507.12909	0.6
525.14087	0.4
537.13983	0.1
683.17242	2.3
684.18384	0.2
701.18365	7.1
702.18353	0.6
1066.27637	0.3
1081.29443	100.0
1082.29822	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	109.0289
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
51.02385	1.0
53.03951	13.0
54.04284	0.7
55.01881	0.7
55.05511	0.9
56.05039	0.4
65.03951	1.5
67.04254	2.3
67.05507	5.0
68.05038	1.8
69.07088	0.3
71.30357	0.3
79.05514	1.3
80.05018	1.1
81.03422	100.0
81.07059	2.5
82.03751	3.0
82.06582	8.1
83.06109	2.2
86.99358	0.2
91.05495	0.3
92.05012	0.6
93.04545	1.1
94.04182	0.4
94.05340	0.4
94.06149	0.3
99.04488	0.3
100.02529	0.3
105.00391	0.5
107.04970	0.4
109.02887	23.4
109.04845	0.9
109.06543	1.5
109.07650	6.5
109.08424	0.5
109.10169	1.9
110.03230	0.8
110.06049	28.6
110.07125	2.3
111.04411	0.3
111.05602	0.2
112.03977	0.7
123.01437	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.01617	1.2
51.02376	5.9
51.72796	1.2
53.00298	1.7
53.03948	59.7
54.04276	2.5
55.01875	6.2
55.05503	5.3
56.05018	3.9
65.03947	8.1
66.04715	6.8
67.04238	4.8
67.05164	0.8
67.05502	22.7
68.05031	2.5
68.45312	1.3
71.21262	1.9
77.03925	6.5
79.05503	16.9
80.05032	6.3
81.03417	73.9
81.04502	2.0
81.05351	3.4
81.07053	19.6
82.03757	2.3
82.06582	20.4
83.04980	2.0
83.06113	9.2
91.05470	6.0
92.05033	2.4
93.04523	6.6
94.04186	100.0
95.04459	2.5
95.04980	26.7
96.05279	1.5
105.04498	11.8
107.04957	4.4
109.02888	18.7
109.04855	2.9
109.06520	81.2
109.07622	17.3
109.08352	2.5
109.10159	7.5
110.06045	78.0
110.07185	8.8
112.03960	1.3
118.82126	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	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02372	4.3
53.03692	1.8
53.03946	37.1
55.01857	3.9
55.05502	1.7
65.03926	3.7
66.04728	7.0
67.05500	9.2
70.91340	3.4
77.03925	4.4
79.05486	12.6
81.03415	27.7
81.07064	9.1
82.06576	6.0
83.06095	3.9
91.05469	4.6
93.04528	2.2
94.04188	100.0
95.04987	21.7
105.04538	14.1
107.04924	3.7
109.02878	6.9
109.06516	73.9
109.07678	5.8
109.10088	1.7
110.06056	28.1
110.06811	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	3.4
55.05510	12.4
64.60857	0.5
65.03941	5.5
67.04260	1.6
67.05505	100.0
67.14906	0.4
68.05851	3.3
69.07068	7.3
70.26116	0.6
70.26443	1.1
70.61129	0.4
79.05493	12.5
80.05019	0.8
80.05812	0.6
80.06278	1.2
81.03420	3.3
81.07058	35.1
82.06581	4.8
82.07381	1.4
82.57511	0.5
83.06125	0.6
86.27642	0.4
91.05463	3.9
94.04182	2.3
94.07832	1.3
94.66531	0.5
105.07034	0.9
107.04948	0.9
107.08581	4.2
109.02884	1.3
109.04785	0.6
109.06534	5.3
109.07644	3.6
109.10154	42.6
110.06042	30.8
110.06942	0.5
110.07155	0.8
110.10499	1.6
112.03968	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03948	6.3
54.04293	0.6
55.01876	1.6
55.05243	0.5
55.05512	10.3
65.03944	7.6
66.04729	0.6
67.04288	2.2
67.05508	100.0
68.05032	0.6
68.05840	3.0
69.07069	7.1
71.28708	0.4
73.71866	0.4
79.05495	25.1
80.05019	0.9
80.05841	1.0
80.06287	1.7
81.03424	6.9
81.07059	39.8
82.06586	5.4
82.07402	1.5
83.06109	0.6
91.05491	5.2
92.04997	0.6
93.04540	0.8
94.04185	3.8
94.05338	0.4
94.07841	1.3
95.04985	0.9
107.04978	1.2
107.08570	3.2
109.02894	1.3
109.06523	27.8
109.07629	4.2
109.08528	1.1
109.10156	40.7
110.06048	33.1
110.06696	1.0
110.10502	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02389	0.3
53.00298	0.2
53.03948	3.5
54.04294	0.4
55.01880	0.6
55.05238	0.5
55.05512	11.2
56.05835	0.3
65.03942	6.0
66.04251	0.3
66.04715	0.3
67.04279	2.2
67.05506	100.0
68.05047	0.3
68.05836	3.1
69.03419	0.4
69.07068	6.4
69.07421	0.5
69.27274	1.1
69.27685	0.4
75.12797	0.2
79.05495	11.6
80.05011	0.9
80.05843	0.5
80.06285	1.4
81.03420	6.0
81.07057	35.5
82.03764	0.3
82.06586	5.5
82.07354	1.8
91.05467	2.4
92.05011	0.6
94.04203	1.6
94.07829	1.7
95.03699	0.3
95.04999	0.4
105.07018	0.8
107.04967	0.4
107.08595	3.2
108.99858	0.2
109.02891	2.3
109.04840	0.7
109.06525	5.2
109.07650	4.8
109.10155	39.5
110.06042	27.5
110.10491	1.9
111.14905	0.2
112.03951	0.7
119.06041	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	1097.269
Annotation	Unknow
Peak:m/z	Relative Intensity
97.90488	0.8
119.81532	0.8
119.96906	1.0
147.04440	2.4
177.05524	1.5
437.48981	0.9
517.97754	0.9
527.40387	1.1
552.00153	1.1
650.71130	0.9
717.16608	1.1
897.01556	1.2
1097.26746	100.0
1098.27393	18.8
1106.35706	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	110.0605
Annotation	3-Hydroxy-2-Methylpyridine
Peak:m/z	Relative Intensity
53.03945	0.3
53.22693	0.2
54.38075	0.2
55.01872	0.3
55.05515	3.1
58.21439	0.1
63.68237	0.1
65.03947	2.5
67.04253	7.1
67.05502	0.5
68.04659	0.2
68.05023	1.2
68.05828	0.2
68.57504	0.1
68.96321	0.3
69.03427	0.4
69.04543	0.2
69.85644	0.3
69.86037	0.4
80.05022	2.2
81.05800	0.4
82.05313	0.5
82.06586	19.1
83.04993	1.5
83.06120	0.7
83.06922	0.7
88.85425	0.1
92.04993	1.1
93.04549	0.2
94.02940	0.4
95.03726	0.2
98.22650	0.2
110.06049	100.0
111.04453	2.8
111.05600	1.3
111.06390	3.2
111.08084	0.2
111.09206	0.3
112.03969	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	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
51.83662	0.5
54.03464	0.7
54.60118	0.5
55.05507	0.6
56.05041	25.7
66.03457	0.8
67.04245	1.1
68.98285	0.9
69.04567	1.4
69.62201	2.0
69.62600	0.8
81.04542	10.3
82.05333	6.1
82.06589	3.1
83.06107	100.0
84.06450	1.2
86.99345	1.1
87.22167	0.5
89.51612	0.5
93.04533	63.8
94.04870	1.7
98.23342	0.8
100.02495	1.3
105.00363	2.3
109.91701	0.6
110.06081	10.9
110.07169	82.8
111.05603	1.0
111.07512	1.6
118.03529	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	111.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
54.43545	1.3
55.01878	7.7
55.05514	20.5
56.05024	2.9
57.00169	1.3
65.03942	39.2
67.05505	3.0
68.02656	6.3
68.05027	6.0
68.99800	7.0
69.03429	26.4
69.04549	2.0
69.07064	5.7
69.65530	8.1
70.06594	33.8
70.94252	4.4
70.95864	4.8
78.03438	2.4
79.89774	1.3
80.16917	1.5
82.05330	9.5
82.06557	1.8
82.51329	1.4
83.04993	9.5
83.06101	12.4
83.06915	3.1
84.04490	2.5
84.08139	10.1
85.42496	1.5
88.96907	2.8
91.05471	2.6
93.03412	6.3
93.04517	2.9
93.07027	2.0
94.06570	2.6
95.04971	2.0
95.06090	19.0
96.02103	11.1
96.04490	22.8
109.05901	1.5
111.04446	100.0
111.05597	15.9
111.06396	14.7
111.08091	5.0
111.09208	4.1
112.04010	10.4
112.05028	6.7
112.07609	51.7
112.08730	29.9
121.04005	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	111.0445
Annotation	Resorcinol
Peak:m/z	Relative Intensity
53.03944	2.1
55.01874	6.6
55.05517	20.2
56.05044	2.2
65.03622	1.6
65.03948	29.9
66.87868	0.9
67.05496	1.7
68.02656	5.0
68.04619	1.2
68.05026	6.2
68.99789	4.4
69.03439	14.4
69.04549	1.5
69.07059	4.4
70.02938	1.2
70.06605	18.0
70.94250	2.7
70.95866	4.6
71.01336	1.1
78.03467	2.6
79.01875	1.2
81.03405	1.4
82.05331	10.0
83.04989	9.6
83.06115	10.3
83.06918	3.5
84.04497	3.1
84.08142	7.6
84.49606	1.0
86.90971	1.0
93.03418	5.2
93.04533	2.4
93.07063	2.4
94.02927	3.1
95.01333	1.7
95.02486	1.7
95.06097	11.2
96.02123	8.7
96.04498	12.9
99.73058	0.9
103.58912	1.2
107.95796	0.9
111.00806	1.2
111.04451	100.0
111.05602	15.9
111.06396	18.9
111.08094	4.4
111.09216	1.9
112.03991	12.4
112.04978	4.1
112.07616	31.7
112.08735	18.1
113.04329	1.2
121.03991	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	1110.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05502	11.8
80.05026	2.5
81.03422	22.2
81.07062	12.4
82.06580	1.2
83.04983	2.5
83.06104	4.2
83.08629	6.6
84.04514	8.9
85.01124	1.2
85.02923	0.9
86.00657	0.8
86.99059	1.5
87.02703	1.1
88.02225	1.5
91.05487	11.9
93.07058	7.7
94.06602	1.0
95.04975	10.2
95.08613	3.9
96.04523	1.3
97.01144	2.7
97.02910	2.5
97.06542	2.0
97.10171	4.3
98.00658	1.0
99.02719	1.1
99.05566	0.9
100.02225	1.8
101.76228	0.6
102.05574	1.3
103.05442	1.0
105.07029	8.6
106.06573	0.7
107.04969	3.9
107.06094	1.7
107.08595	5.1
108.04504	0.8
109.06519	3.5
109.07674	1.1
109.10199	3.9
110.06076	1.1
111.02671	1.3
111.04462	1.6
111.08107	2.4
112.02229	2.9
113.00607	2.5
114.03775	1.8
115.05499	1.2
116.01683	10.9
117.07001	4.0
119.08598	6.7
121.06539	2.5
121.10114	3.5
123.02725	1.0
123.08087	1.7
124.02160	3.6
125.04224	0.9
125.09641	4.0
126.03754	2.2
128.06245	1.8
129.06912	3.0
130.05000	3.8
131.02782	0.7
131.08562	3.9
133.06528	1.9
133.10106	3.9
135.02682	1.3
135.05586	0.9
135.08075	2.0
135.11717	1.4
136.02206	1.3
136.03946	1.9
137.04243	1.3
137.09698	1.3
138.03737	0.9
139.02214	1.0
139.03249	2.8
140.01689	1.8
141.04861	1.7
142.03229	4.8
143.08630	2.1
144.01152	4.5
145.06233	2.6
145.10178	2.1
147.02684	0.7
147.04550	0.9
147.08051	2.5
147.11668	3.2
149.04272	1.3
149.09671	2.2
151.05820	1.6
151.11264	0.8
153.06665	2.6
153.09137	1.8
153.12758	1.1
154.03328	0.7
155.08315	1.3
157.10126	3.6
159.02260	1.1
159.08061	1.4
159.11775	0.8
160.11316	0.9
161.09692	3.3
162.02240	9.7
162.03641	1.1
163.02216	1.3
163.04514	0.8
163.05836	1.1
163.07500	0.8
163.11227	2.3
163.70042	0.7
166.03203	0.8
169.04320	1.1
169.06854	0.9
170.02734	3.7
170.11772	1.1
171.10268	1.0
171.11604	0.7
172.11301	0.8
173.09589	1.0
175.11214	3.8
177.03450	1.3
177.07428	1.7
179.04878	9.5
181.06091	1.1
181.12222	1.3
185.03838	5.1
187.05412	4.8
189.11238	1.6
191.10716	1.3
192.08492	1.5
193.06857	1.6
193.12260	8.1
194.10049	1.3
195.08365	0.8
196.11522	0.7
199.07312	0.9
208.06104	1.1
208.11508	0.9
208.13391	0.7
211.13306	0.8
215.04982	1.4
217.06808	0.9
219.08444	1.5
222.09570	1.6
223.07918	1.3
224.11081	1.5
227.12886	1.9
231.04390	8.2
233.05936	8.3
234.14894	0.7
236.11140	0.8
238.12480	1.4
240.10643	1.2
243.04611	0.7
245.06004	0.9
250.12677	1.1
254.12236	3.0
261.18668	1.1
266.12164	2.3
267.15900	18.0
268.16165	1.1
271.17035	1.8
278.12241	1.8
283.15576	1.0
284.13092	1.1
289.18082	2.0
291.06689	1.0
297.12936	1.0
303.14236	1.7
307.18991	0.8
308.09122	6.9
311.14307	4.1
314.14270	0.7
321.15329	1.0
329.15787	1.3
346.18436	5.7
347.16852	3.0
363.22244	1.0
364.19482	1.7
374.17963	0.9
382.20578	1.4
407.24414	1.0
431.19162	1.2
439.21927	1.4
467.22208	1.4
467.34555	0.7
523.24402	1.0
541.26099	3.0
546.19824	0.8
555.33313	2.0
559.27179	2.6
573.34509	1.3
587.30035	1.0
611.29968	0.9
613.32153	0.9
613.59125	0.7
614.27631	2.1
623.30164	3.0
630.34387	3.4
631.33405	3.5
633.82526	0.7
635.29694	1.6
648.35571	3.3
652.29150	0.9
653.29999	0.8
666.36633	1.0
688.31512	1.7
706.31848	0.9
715.36377	2.3
716.34290	0.8
733.37250	16.3
734.37280	1.1
751.38348	100.0
752.26514	1.0
752.38812	11.0
769.39197	5.5
770.39026	1.3
787.38483	2.2
805.39063	2.6
823.40399	19.7
824.40991	2.0
862.41302	10.3
863.41309	1.0
880.42389	6.1
881.44177	1.0
898.43652	51.6
899.44049	7.0
913.43121	0.9
985.45575	1.7
1060.48254	5.7
1061.49109	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	1113.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03938	1.2
79.05499	7.7
80.05014	5.4
81.03419	21.1
81.07066	4.1
83.04969	1.4
83.06101	1.4
83.08627	1.8
84.04513	5.5
85.04042	1.8
91.05485	12.9
93.07045	14.0
94.06593	1.4
95.04977	8.1
95.08607	3.9
97.02918	1.0
97.06554	1.0
99.05583	1.9
103.05456	8.3
105.04509	2.2
105.07047	3.8
107.04962	14.7
107.08619	1.7
108.08162	0.9
109.06510	1.1
110.04517	1.0
111.02655	1.4
111.08080	1.4
112.02186	8.0
113.00591	3.5
117.07034	1.2
118.06522	1.2
119.08589	1.6
120.08148	1.2
121.06511	100.0
121.10196	1.3
122.06825	1.9
124.02154	1.0
129.06978	1.2
130.05006	4.2
131.04576	1.7
131.08575	3.0
132.08147	0.9
133.06506	1.1
134.42714	0.9
136.02173	1.6
138.03712	1.6
139.03264	1.8
144.09085	0.9
145.06075	5.6
145.10178	2.4
147.08041	1.5
149.97141	0.9
151.05807	1.0
152.05278	1.3
153.06654	1.9
159.02258	1.6
163.11192	1.8
164.01636	1.3
172.89212	0.9
176.14352	1.1
177.03244	5.5
181.06091	1.9
185.03816	9.5
189.11136	1.4
198.09122	7.2
199.09958	2.7
200.10710	7.4
204.08418	1.0
206.09940	1.2
222.09467	1.6
224.11058	3.0
224.87460	1.0
226.12239	1.0
231.04366	22.8
232.07921	14.9
248.11067	4.1
250.12485	1.0
265.14154	2.1
267.15927	10.1
269.17407	1.1
274.10294	1.6
276.10596	3.2
282.18604	1.3
288.06421	7.0
289.28607	0.9
292.17352	1.0
306.07468	1.1
310.18039	3.3
312.19571	5.7
314.15750	1.8
316.17279	2.4
317.97437	1.0
324.14240	3.2
342.15265	6.6
344.16800	28.9
345.17133	2.4
360.16318	3.4
368.17020	5.0
381.93274	0.9
385.19382	5.9
386.17981	1.1
396.16229	15.1
397.16620	1.2
398.17764	1.4
400.19296	1.1
413.18988	2.7
414.17181	1.6
416.19250	1.4
434.19995	2.9
451.20596	1.4
487.22202	1.1
488.21246	2.0
506.26862	1.5
514.23700	2.7
534.26440	1.8
558.28583	2.0
593.33392	6.4
594.34131	6.6
596.35449	2.5
598.31458	1.2
608.29932	2.6
626.31470	89.3
627.31659	9.4
641.34564	1.3
642.34552	2.2
652.32892	7.2
662.30963	1.4
669.35382	2.2
679.33820	5.0
680.32239	2.6
691.29913	2.1
697.35138	13.0
698.35730	1.6
735.36810	1.1
737.33679	1.3
754.36884	3.6
755.36438	1.2
763.36462	1.3
772.38336	56.1
773.38708	8.8
788.36945	1.3
808.37793	3.9
814.38092	1.9
826.39661	8.6
883.41888	5.3
901.25177	1.8
901.42584	35.4
902.42706	5.2
934.42572	3.2
1063.47742	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	1117.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05516	0.2
81.03423	0.4
86.25373	0.1
91.05484	22.7
92.05788	0.6
94.04195	0.1
94.36874	0.1
95.04974	0.3
97.02912	0.3
103.05450	0.2
105.06371	0.1
105.07011	0.6
107.04935	0.8
109.02886	1.1
111.04444	0.3
115.05437	0.2
118.04198	0.2
119.04946	33.0
119.39663	0.1
120.05292	0.7
121.02872	0.4
122.03672	0.2
126.20142	0.2
127.03922	0.7
128.06134	0.1
129.07092	0.1
131.04900	0.2
133.06490	2.1
137.05975	1.9
145.06487	0.3
147.04413	100.0
148.04744	2.8
151.03897	0.4
153.05507	0.2
157.06543	0.2
159.04422	0.2
159.08096	0.2
161.06084	0.1
168.05789	0.2
173.05991	0.1
177.05545	0.2
178.07784	0.2
185.06056	0.2
189.06975	0.3
190.06226	0.1
190.07755	0.2
191.08553	0.1
195.07925	0.1
197.06015	0.1
199.07535	0.1
201.05457	0.6
202.07753	0.3
203.08580	0.3
205.06569	0.3
206.07295	0.4
207.07948	0.2
213.05482	1.1
214.05966	0.1
217.06505	0.2
218.07275	0.2
219.08142	0.3
221.09647	0.6
223.07568	0.2
227.06947	0.2
229.08540	1.7
231.08209	0.2
233.05980	0.3
233.07954	0.2
234.06744	1.2
235.07458	0.6
246.06763	0.3
247.07579	0.3
248.08434	0.3
249.09077	1.3
250.09790	0.4
251.07085	0.8
253.08443	0.2
255.06514	0.1
259.07483	0.2
261.09125	0.2
262.06223	0.7
263.06790	0.2
265.08521	0.3
266.09286	0.6
273.07556	1.1
275.07022	0.1
276.07776	0.2
277.08594	2.1
278.09357	0.5
279.06555	0.3
279.09946	0.2
281.11749	3.4
282.12079	0.1
286.06177	0.1
287.07077	0.2
288.07813	0.2
289.05151	0.2
289.08582	0.2
290.05789	0.6
290.09262	0.2
293.08075	0.2
294.08813	1.6
301.08618	0.2
303.06635	0.3
303.10083	0.5
305.08118	1.6
306.08719	0.3
307.09741	0.3
308.10150	0.1
309.11279	3.1
310.11584	0.2
311.12735	0.2
319.09579	0.2
321.11215	0.2
322.08212	0.1
325.10745	0.5
331.09290	0.1
333.11020	0.6
335.09036	0.8
336.09653	0.2
337.10699	6.9
338.11002	0.4
343.09207	0.1
347.09012	0.2
349.10983	0.2
355.11719	0.3
361.10696	0.5
377.10074	0.2
379.11679	0.3
384.09851	0.2
389.10220	0.2
395.12579	0.2
399.11786	0.1
419.11218	0.3
423.11795	0.2
427.15482	0.5
437.14413	0.1
441.13516	0.2
455.14960	1.1
472.15018	0.4
473.15588	0.4
481.14258	0.3
483.14371	0.5
499.15933	0.2
500.14481	0.3
501.15421	0.1
539.16132	0.1
563.16931	0.2
1117.36633	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	112.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.1
56.05031	0.3
57.03428	0.2
57.05348	0.1
65.03960	0.1
67.01865	0.3
67.05516	0.5
68.01403	0.1
68.05032	1.9
69.03432	1.8
69.04549	0.7
69.07076	0.2
69.79265	0.3
69.79649	0.2
70.02960	3.3
70.06594	100.0
70.94261	0.2
71.06316	0.2
71.06926	2.5
71.07302	0.2
71.94093	0.5
78.03458	0.4
82.05340	0.1
82.06606	0.2
83.05057	0.1
83.05660	0.3
83.06088	0.2
84.04504	0.2
84.06453	0.3
84.08144	0.6
85.07674	0.7
86.90491	0.1
94.04034	0.4
95.01320	0.5
95.02453	2.5
95.05098	0.1
95.06093	5.8
96.00859	2.3
96.01456	0.2
96.04495	4.6
96.06454	0.2
97.04829	0.2
110.21364	0.1
112.03976	1.3
112.05109	6.6
112.05916	0.5
112.07618	3.1
112.08744	6.0
112.89663	0.1
113.02382	6.9
113.03506	4.3
113.05386	0.2
113.07149	0.8
113.07901	0.2
113.09074	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	1126.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01865	6.3
81.03416	1.1
97.02898	1.5
107.01294	1.1
109.02876	2.5
113.43726	0.6
123.04435	1.6
125.02348	3.9
127.03912	4.0
135.04422	0.7
139.03946	1.8
143.03398	6.4
151.03856	2.2
153.01831	100.0
153.02852	4.5
154.02161	2.4
155.03389	2.1
163.03915	2.4
173.05904	0.8
179.03381	8.8
191.03418	1.4
207.02905	1.0
217.01309	2.1
219.02777	1.6
220.92607	0.7
225.05452	0.7
229.05043	1.4
235.02406	3.0
245.00830	1.2
263.01862	1.2
271.06030	17.7
272.06339	1.1
273.00299	1.5
275.01816	0.9
287.05460	1.3
289.07043	1.4
291.01364	1.0
303.04968	1.1
319.00839	5.6
331.04724	3.8
337.01773	3.5
441.08191	1.0
445.04111	11.8
463.05057	4.6
540.33240	0.8
615.06195	1.6
633.07379	1.0
739.37451	0.7
976.86420	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	1128.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01842	1.9
79.05507	0.5
81.03422	21.5
82.67429	0.5
83.01325	1.7
83.04985	0.5
85.02892	1.5
86.58427	0.5
89.03915	0.5
91.05473	0.9
92.99742	1.4
93.03388	0.8
95.01344	3.5
97.02874	2.1
99.04439	1.0
103.05442	1.1
108.02104	0.6
109.02886	15.8
113.02358	0.7
119.01302	1.1
119.04911	0.5
121.02887	2.8
123.00801	2.4
125.02345	1.1
127.03917	3.9
129.03343	1.3
131.04887	1.0
133.02838	1.0
137.02359	2.6
137.42337	0.5
139.03882	1.0
141.01814	1.7
145.02892	0.9
147.00789	1.1
147.04355	1.4
149.02357	3.0
151.00253	1.6
153.01842	3.0
157.02821	2.3
161.02289	0.6
163.03958	2.4
165.01848	10.9
166.99760	1.8
167.03387	3.0
169.01367	0.9
173.02353	1.6
175.03893	2.4
177.01901	1.0
181.01299	0.7
182.99284	1.1
185.02342	1.7
187.03928	5.3
189.01819	1.2
191.01859	0.5
191.03384	3.0
192.73068	0.5
193.01331	33.5
193.45079	0.6
194.01704	0.8
194.75179	0.4
194.99240	0.9
195.02888	1.0
201.01843	4.9
202.99699	0.6
203.03381	5.6
205.01303	1.6
207.02902	0.6
209.00772	0.9
211.02367	2.1
213.01808	3.4
215.03415	4.2
217.01271	2.2
219.02922	6.1
221.00822	48.7
222.01128	1.2
229.01346	5.3
230.01981	0.5
231.02895	21.8
232.03336	1.0
239.01843	4.3
241.01363	3.9
243.02986	0.8
245.00874	3.3
246.99960	1.0
247.02403	11.1
248.02768	0.8
257.00806	7.9
257.03052	0.4
258.01563	0.6
259.02393	38.0
260.02884	1.7
261.03906	0.6
263.01816	1.8
267.01276	1.1
269.04401	0.7
271.02383	0.9
273.00320	2.7
273.03641	0.5
275.01874	16.5
276.02658	3.8
277.03439	100.0
278.03824	3.6
285.00262	5.3
287.01776	0.7
289.03430	1.0
291.01297	1.5
299.01791	0.7
301.03510	0.7
303.01361	81.2
304.01660	3.6
315.01373	1.0
317.03043	1.0
319.00696	0.7
321.02386	2.8
327.01468	0.8
329.02835	0.7
331.00885	0.7
341.02917	0.7
345.02481	0.6
347.03915	1.7
367.04620	0.5
387.03281	0.5
401.05365	0.7
403.03082	1.3
429.04529	2.7
431.02368	1.9
447.05450	2.0
449.03568	3.3
459.01990	4.9
467.04565	0.8
477.03012	19.7
478.03171	1.4
495.04205	1.5
513.04889	1.8
557.04950	0.8
575.06622	0.5
585.04681	1.0
602.07965	0.9
603.06396	3.4
621.07129	9.0
941.08905	31.5
942.08990	4.0
980.11328	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	1135.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	1.2
84.02764	0.1
85.02909	0.7
91.05486	23.9
92.05807	0.4
93.03426	0.2
94.04192	0.6
94.11532	0.2
95.05000	0.3
97.02885	0.4
98.23381	0.4
99.04466	0.2
103.05447	0.4
107.04967	0.8
109.02886	2.4
109.06557	0.2
111.04480	0.3
115.05440	1.3
117.07030	0.3
119.04950	33.0
120.05273	0.6
120.14203	0.2
121.02869	0.3
121.06503	0.2
122.03626	0.9
127.03935	0.6
131.04939	0.5
133.06578	0.1
135.04468	0.2
137.05984	9.7
138.06264	0.2
141.03391	0.3
143.04935	0.5
144.05713	0.4
145.06430	0.3
146.03584	0.2
147.04416	100.0
148.04742	2.3
149.05942	0.3
151.03920	4.8
151.05011	0.3
157.06454	0.2
159.04427	0.4
160.05219	1.4
161.05995	0.6
163.07541	0.3
165.05513	0.2
167.07028	0.2
171.04379	0.5
172.05159	0.2
175.07561	2.9
177.05530	0.4
181.04982	0.3
181.06479	0.3
186.03178	0.2
187.03926	0.3
187.07544	1.7
189.05475	0.4
189.06963	0.3
191.07011	0.6
194.07173	0.2
195.08066	0.4
201.05376	3.8
203.07059	0.7
205.04776	0.2
205.06511	0.7
205.08414	0.2
206.57922	0.2
211.07553	0.3
215.07021	0.4
217.06569	0.3
219.06448	1.7
221.07974	0.2
222.06804	0.4
223.07446	0.3
227.07013	0.4
229.08585	0.5
231.06473	1.6
233.05951	0.6
234.06763	0.8
237.09125	1.7
239.07103	0.2
240.07671	0.2
247.07492	0.7
248.08235	0.2
249.09258	0.5
250.06320	0.5
251.06924	0.4
251.10756	0.3
253.08682	0.3
255.06445	0.3
257.08197	0.3
261.09125	0.3
262.06229	0.6
263.06979	0.3
265.08633	2.4
266.09293	0.3
271.09677	0.7
273.07504	1.2
277.08578	1.9
278.05902	0.2
279.06897	0.3
279.10202	0.9
281.08194	0.3
282.08783	0.3
283.09750	0.3
287.06985	0.2
293.08145	0.3
294.08636	0.4
295.09647	0.2
296.10480	0.3
297.11203	2.0
299.09280	0.2
301.08502	0.2
305.07990	0.6
307.09613	0.3
309.11444	2.1
311.12747	1.2
319.09799	0.3
321.11212	0.3
322.08447	0.3
323.08981	0.5
325.10684	0.8
333.11093	0.3
337.06955	0.3
337.10730	3.5
338.10843	0.2
349.10681	0.3
353.10211	0.3
355.11777	2.8
361.10754	0.5
377.10211	0.6
379.11786	0.3
389.10132	0.2
395.11319	0.4
407.11307	0.8
419.11191	0.3
427.15671	0.3
443.15286	0.2
448.99820	0.2
455.14893	0.3
457.16464	0.2
471.14508	0.3
483.14166	0.4
499.15768	0.3
501.15350	1.9
517.17273	0.3
519.16400	0.3
600.12524	0.2
609.16925	0.3
627.18744	0.2
645.19354	0.3
1135.38867	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	1146.148
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01852	2.4
79.05461	0.7
81.03417	36.7
82.03731	0.7
83.01308	0.8
83.04959	0.6
85.02866	1.5
89.03902	0.4
91.05461	0.7
92.99722	1.2
93.03385	0.9
95.01319	3.7
97.02855	1.2
99.00780	1.5
99.04443	0.8
100.89011	0.3
101.02349	0.4
107.01274	0.4
107.04887	0.5
108.04447	0.7
109.02879	23.9
111.00779	0.8
113.02341	1.4
117.03387	0.7
119.01288	1.8
119.04881	0.8
121.02871	3.0
123.00780	2.0
125.02312	1.3
127.03177	0.4
127.03928	3.3
133.02829	0.9
135.00786	0.5
135.04381	1.0
137.02338	3.6
139.00204	0.5
139.03871	1.3
141.01797	2.1
143.03409	0.5
145.02800	0.8
147.00742	1.0
147.04407	2.6
149.02333	2.8
151.00244	2.1
151.03943	0.5
153.00687	0.5
153.01842	6.8
153.02979	0.8
154.99805	0.4
157.02841	0.8
159.04369	0.5
161.02319	0.6
163.03896	4.9
165.01826	13.6
166.99715	0.9
167.03395	3.5
169.01300	1.4
173.02400	0.9
175.00279	0.7
175.03923	2.5
177.01831	2.9
178.99738	0.5
179.03375	1.0
181.01338	1.8
182.99243	1.1
183.02783	1.0
185.02283	0.8
187.03876	1.0
189.01802	1.4
191.03397	10.5
192.03647	0.7
193.01321	36.4
193.04970	1.1
194.01660	0.8
194.99242	0.9
195.02913	1.6
197.00858	0.4
201.01846	2.7
202.99733	0.7
203.03394	8.6
205.01311	2.6
207.02844	1.2
209.00835	0.9
209.04430	0.3
210.01523	0.5
211.02328	2.4
213.01930	0.6
215.03391	0.8
217.01329	2.1
217.04800	0.3
218.02086	0.7
219.02884	17.4
220.03012	0.7
221.00807	90.1
222.01143	2.8
223.02367	1.1
229.01379	1.7
229.05037	0.5
231.02907	7.7
233.00778	5.1
233.04428	0.6
235.02390	1.1
235.63458	0.4
239.01846	15.1
241.01282	0.4
245.00842	4.5
245.04581	0.6
246.01245	0.4
247.02385	17.5
248.02638	0.7
249.03999	1.4
255.02771	0.4
257.00806	3.4
258.01553	0.4
259.02368	8.9
260.02863	0.5
261.00238	0.4
261.03790	0.9
263.01810	2.3
265.03384	1.1
267.01169	0.6
271.02377	0.7
273.00323	3.7
273.03619	0.6
274.00928	0.7
275.01862	24.0
276.02307	0.6
277.03403	6.0
283.02240	0.4
285.00363	1.8
285.03796	0.7
287.01892	0.8
291.01520	1.0
293.02881	2.7
300.99860	0.6
301.03265	0.7
303.01349	16.1
304.01666	0.5
309.03854	0.4
313.03293	0.8
315.01382	0.5
317.02991	0.8
319.00894	1.0
319.04517	0.6
321.02359	5.4
327.01395	0.5
329.03116	0.9
331.00897	0.6
337.02524	0.4
339.03488	10.9
345.02344	0.4
347.03879	1.7
365.04926	0.5
371.00592	0.4
401.05014	0.6
403.02954	1.0
429.04709	0.9
431.02499	1.2
447.05441	0.8
449.03494	6.0
459.01947	4.8
465.06570	2.1
467.04529	0.6
477.02988	18.7
478.03552	1.1
495.03958	4.0
513.05237	1.3
575.06708	0.6
585.05463	1.0
602.07172	0.5
603.06287	4.1
621.07312	2.4
923.08362	1.3
940.09436	0.4
941.09064	2.5
959.09863	100.0
960.10156	10.7
1134.73511	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	1146.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01862	3.3
79.05460	0.6
81.03418	37.9
82.03715	0.9
85.02869	2.2
91.01810	0.8
91.05439	0.6
92.99746	1.7
93.03367	1.3
95.01331	4.3
95.57106	0.7
97.02859	1.1
99.00769	0.7
99.04420	0.7
101.02351	0.7
104.97621	0.6
104.98407	0.5
107.01334	0.9
107.04928	0.7
109.02882	27.7
111.00775	1.0
111.04401	1.4
113.02346	1.6
117.03343	0.7
119.01281	1.8
120.63689	0.6
121.02879	4.5
123.00814	2.9
125.02322	1.7
127.03906	3.9
135.04340	1.1
137.02342	4.0
139.00269	0.8
139.03880	1.2
141.01805	2.6
143.03415	0.9
145.02800	1.0
147.00717	1.2
147.04391	2.5
149.02330	4.2
151.00209	2.6
153.01833	9.7
153.02972	1.2
153.72856	0.6
157.02779	1.2
161.02283	0.9
163.03900	5.3
165.01823	13.7
165.05450	0.7
166.99728	1.8
167.03395	3.3
169.01274	1.0
173.02330	1.0
175.00200	1.3
175.03911	3.0
177.01837	3.4
179.03279	0.7
181.01292	1.4
182.99295	0.7
183.02785	0.6
184.43620	0.5
187.03780	0.8
189.01849	0.7
191.03377	12.9
193.01324	49.0
194.01593	1.1
194.99300	1.0
195.02861	2.2
201.01811	2.6
202.99612	0.9
203.03369	6.3
205.01321	3.4
207.02803	0.7
209.00755	0.8
211.02339	3.0
211.52609	0.6
213.01834	0.9
215.03339	1.1
217.01306	2.5
219.02896	15.9
221.00813	100.0
222.01216	4.0
223.02367	1.5
225.53349	0.6
229.01341	2.6
230.02322	0.6
231.02895	9.1
233.00810	6.2
235.02351	1.2
239.01823	11.4
245.00874	4.0
247.02376	18.2
248.02956	0.8
249.03871	1.4
257.00815	2.7
259.02417	6.6
263.01877	2.2
265.03345	1.1
267.01389	1.1
271.02539	0.8
273.00281	2.6
274.00870	0.7
275.01849	27.9
276.02347	1.4
277.03400	4.8
283.02145	0.6
285.00366	2.2
285.03796	0.6
286.76953	0.6
287.01871	1.2
291.01334	0.9
293.02963	2.4
301.03262	1.2
303.01328	17.4
303.04626	1.0
304.01819	0.8
313.03543	0.9
317.03110	1.2
319.00876	1.4
319.04578	0.8
321.02515	4.5
327.01334	0.8
339.03476	14.9
347.03995	2.6
403.03125	1.8
429.04666	1.2
431.02533	1.9
447.05057	0.6
449.03391	4.1
459.01889	6.4
465.06787	2.5
467.04745	1.7
477.02942	17.8
477.91525	0.6
495.04111	3.3
513.05182	2.3
575.06537	0.8
585.05194	0.9
602.07788	1.3
603.05963	3.5
621.07251	2.1
683.03571	0.7
923.08350	1.3
941.09351	2.8
959.09906	96.8
960.10101	12.1
1021.98352	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	115.0391
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00315	2.7
53.03749	1.0
53.03952	10.1
55.01878	13.1
57.03438	14.7
59.04994	4.5
69.03430	43.3
69.07066	1.6
69.77689	1.8
69.78075	1.8
70.06593	22.4
71.01356	43.6
72.01717	1.2
73.02921	26.0
76.66580	0.9
85.02906	100.0
86.03234	3.9
87.00835	4.5
87.04458	2.9
93.41706	1.1
96.80455	0.9
97.02895	87.5
98.03250	4.7
115.03939	22.2
115.05444	8.0
115.09511	4.3
116.06303	1.0
116.07072	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	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.03927	2.3
55.01873	6.8
56.87492	1.4
57.03428	4.9
69.03432	100.0
70.03762	3.3
70.06591	3.5
70.53070	3.3
71.01342	7.5
73.02936	2.0
74.93823	1.2
85.02429	2.1
85.02909	28.5
97.02890	24.0
115.03959	2.6
115.05460	7.1
115.09507	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	115.0393
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.03955	4.1
55.01877	4.6
57.03440	7.8
60.04524	2.8
69.03435	100.0
69.07066	12.9
70.06597	44.8
71.01366	10.4
73.02933	3.0
73.06544	3.0
74.93849	13.5
82.35505	2.1
85.02915	61.7
88.07633	3.1
89.03899	5.1
92.94868	3.7
97.02895	90.8
97.14258	2.1
98.03293	2.7
115.03938	5.4
115.05470	59.8
115.09512	12.4
116.06306	3.3
116.07111	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	115.0757
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
50.91389	0.3
51.50694	0.4
53.00309	0.6
53.03939	0.5
55.01871	1.3
55.05277	0.5
55.05517	7.0
57.93576	0.5
59.04996	0.9
67.05523	1.8
69.03433	2.1
69.07069	100.0
70.02977	0.4
70.06592	34.4
70.07391	3.7
71.01366	0.6
71.04982	0.6
72.93797	0.9
73.06557	17.3
73.93846	0.5
74.06100	0.5
74.06894	0.5
74.93832	4.0
81.20425	0.3
85.02921	1.1
88.07644	0.9
89.03921	0.7
92.94877	1.4
97.02914	1.6
97.06534	5.5
98.95066	0.4
115.03958	1.7
115.05474	1.7
115.07582	1.9
115.08795	0.5
115.09476	2.2
115.96439	0.5
116.07107	3.4
116.07863	0.5
116.10760	0.7
116.97308	0.4
120.05094	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	1150.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03406	1.1
91.05484	13.1
109.93689	0.8
113.32042	1.0
119.04102	1.1
119.04948	22.8
137.05948	1.1
145.02838	2.2
147.04419	100.0
148.04782	2.6
177.05524	4.8
179.51660	0.8
184.30013	0.9
215.93028	0.9
229.08586	1.3
273.07401	1.1
295.10117	0.8
335.09027	1.1
337.10754	1.5
355.12109	0.9
419.10504	1.1
520.71613	0.9
600.53473	0.9
726.12415	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	1152.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	3.8
85.02918	0.8
97.02892	4.1
107.01307	1.7
107.09863	0.4
109.02894	4.2
120.92120	0.4
125.02350	2.6
127.03923	6.4
127.46590	0.5
138.95563	0.4
143.03397	5.7
145.04970	0.8
153.01833	100.0
153.02859	4.7
154.02191	2.7
171.02896	7.6
177.57147	0.7
191.03358	1.0
217.01308	1.0
219.02934	0.6
235.02348	1.3
237.03987	1.1
245.00824	0.9
261.03976	0.6
263.01724	0.6
273.00211	1.0
279.05103	1.3
297.06015	5.4
298.06219	0.5
315.07132	10.8
319.00830	2.2
321.35651	0.4
337.01871	1.8
445.03961	4.5
449.07092	1.7
463.05087	1.8
467.08243	12.0
468.08591	0.5
469.87933	0.5
485.09134	1.5
530.97076	0.5
615.06299	1.0
633.06738	1.3
807.86841	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	1152.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
81.02975	0.5
81.03415	4.8
85.02902	1.2
89.94747	0.2
97.02892	4.8
99.04478	0.6
107.01331	1.8
109.02879	5.2
115.41993	0.3
125.02350	2.7
127.03928	6.8
143.03398	5.5
145.04996	0.8
153.01828	100.0
153.02876	5.5
154.02156	2.6
163.03900	0.7
166.14139	0.3
171.02890	10.4
171.04396	0.5
172.03313	0.2
175.03964	0.4
179.03448	0.3
189.01840	0.7
191.03429	0.9
207.02954	0.8
217.01321	1.4
219.02835	1.2
221.00812	0.7
223.69315	0.2
235.02339	2.2
245.00847	0.9
247.02452	0.7
263.01917	0.9
273.00287	1.2
273.27972	0.3
275.01907	0.4
279.05002	0.3
291.01297	0.8
297.06049	7.8
298.06607	0.3
298.74588	0.2
300.99707	0.6
315.07101	16.7
316.07346	0.9
319.00873	5.1
330.46048	0.2
337.01892	2.7
445.04053	9.1
446.04282	0.4
463.05103	3.1
464.05029	0.3
481.05923	0.4
485.08795	0.6
516.15375	0.4
552.72198	0.3
615.05835	1.2
633.07153	0.8
718.60632	0.3
792.91003	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	1152.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	0.4
89.04021	0.2
91.05486	14.7
92.05846	0.3
107.05013	0.1
109.02883	1.6
119.04951	22.3
120.05298	0.4
127.03943	0.4
133.06480	0.2
137.05989	1.4
141.68758	0.2
147.04417	100.0
148.04755	2.7
151.03943	0.3
153.05515	0.2
159.03490	0.2
177.05515	0.1
179.03397	0.5
189.07051	0.4
201.05455	0.8
203.08649	0.2
206.07225	0.3
209.41667	0.2
213.05496	1.0
218.07127	0.2
219.08011	0.3
221.09674	0.3
223.07535	0.2
229.08635	0.8
231.06282	0.2
233.06038	0.2
234.06770	0.9
235.07492	0.5
245.05986	0.2
247.07617	0.2
249.09077	0.7
251.07111	0.4
255.06488	0.3
261.05542	0.2
262.06210	0.9
263.06842	0.3
265.08517	0.4
266.09253	0.3
272.59961	0.1
273.07678	1.2
277.08624	1.5
278.09467	0.2
279.06451	0.4
279.09662	0.2
281.11804	1.5
290.05777	0.9
292.07181	0.2
293.07809	0.2
294.08914	0.9
305.08072	1.3
306.08835	0.2
307.09534	0.4
309.11270	1.2
319.09540	0.2
322.08450	0.2
325.10843	0.4
335.09171	0.5
337.10736	3.5
338.11191	0.2
345.63882	0.2
355.11722	0.2
419.11371	1.2
481.14502	0.4
499.15500	0.2
601.17194	0.4
603.86591	0.2
776.68964	0.2
784.21051	0.2
801.65631	0.2
826.33551	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
56.05042	0.5
60.04511	0.2
68.05052	0.2
70.06591	100.0
70.53304	0.4
71.06918	2.8
72.08100	0.2
74.93833	0.6
80.60136	0.2
84.04494	0.3
84.41694	0.2
90.41607	0.2
98.06026	0.2
106.30399	0.2
107.94703	0.2
108.03240	0.2
116.07090	7.7
116.10735	0.3
116.28555	0.2
117.07446	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
63.02358	0.2
67.81472	0.1
68.05041	0.4
69.43590	0.5
70.06595	100.0
71.06310	0.2
71.06924	2.5
71.07303	0.2
74.93834	0.2
75.90459	0.1
77.66596	0.1
87.99329	0.1
89.03927	0.7
91.05481	0.2
98.23390	0.1
114.77869	0.1
115.05471	0.5
116.07095	7.4
117.06999	0.3
117.07533	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
62.48343	0.2
68.05034	0.3
70.06594	100.0
71.06313	0.2
71.06923	2.7
103.32662	0.2
116.07092	6.7
117.07500	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	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86123	0.1
63.82635	0.1
68.05027	0.3
70.06593	100.0
71.06300	0.2
71.06923	2.9
71.07304	0.2
104.70116	0.1
108.06776	0.1
116.07094	7.4
117.07436	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	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.49719	0.2
68.05037	0.4
70.06596	100.0
71.06322	0.3
71.06930	2.7
71.08111	0.4
90.84898	0.2
98.06025	0.5
116.07098	7.4
130.78084	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	1160.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05020	4.5
81.03419	4.8
81.07064	27.4
82.06565	2.2
83.04982	8.5
83.06113	8.8
83.08624	14.4
84.04506	14.2
85.01158	1.3
85.02909	2.1
85.04030	1.7
85.06529	1.9
86.00661	3.9
86.99052	3.6
88.02223	2.8
91.05478	25.7
91.06012	1.9
93.07047	19.3
94.02911	1.1
94.06582	2.9
95.04970	17.8
95.08609	12.7
96.04511	2.9
97.01118	3.4
97.02881	2.6
97.06541	6.3
97.10180	6.8
98.00616	1.8
99.01445	1.3
99.04462	3.2
99.05611	1.6
99.08096	1.3
100.02185	1.1
102.05542	2.4
103.05472	2.3
105.04533	1.1
105.07033	20.8
107.04963	9.2
107.06098	1.6
107.08582	15.2
108.04489	2.4
109.06522	8.2
109.07662	2.3
109.10152	6.6
110.06049	2.3
111.02666	2.3
111.04452	5.5
111.08096	5.0
112.02190	5.6
113.00618	3.5
114.03777	3.2
115.05477	2.8
116.01681	15.5
117.07018	9.4
119.08579	15.7
121.06519	4.9
121.10161	10.0
122.06126	1.0
123.02654	1.4
123.04440	2.7
123.08079	6.0
124.02164	5.7
124.52390	1.1
125.09633	7.6
126.03714	4.8
126.05501	1.4
127.02126	1.8
128.06241	2.9
129.01230	1.4
129.05635	1.6
129.06700	6.9
130.05014	8.0
130.07831	1.2
131.04848	1.1
131.08553	9.6
133.06451	1.9
133.10141	10.2
134.06041	1.6
135.02666	3.6
135.04437	1.0
135.05524	1.1
135.08070	5.1
135.11736	6.2
136.02193	2.0
136.03934	4.2
137.04153	1.7
137.09618	2.7
138.03740	2.6
138.05739	1.0
139.02263	1.3
139.03215	4.7
139.11188	1.6
140.01683	4.0
141.04845	4.4
141.06975	2.0
142.03227	14.4
142.04980	1.2
143.02826	1.4
143.08588	3.0
144.01135	6.0
145.06265	3.7
145.10126	10.9
147.07954	3.5
147.10577	1.1
147.11690	5.1
148.11145	1.2
149.04272	1.9
149.09633	10.6
149.13344	2.0
150.03726	1.5
151.05788	1.9
151.11214	1.7
152.01692	1.4
153.06612	3.5
153.12798	3.0
154.04932	1.2
155.08405	3.0
157.10147	3.4
159.08060	2.9
159.11694	5.9
160.11273	1.8
161.09589	5.0
161.13222	1.3
162.02205	15.2
163.03917	4.1
163.05844	1.6
163.11176	12.4
165.07265	1.1
165.12805	2.6
168.35439	1.1
169.10107	2.0
170.02705	4.9
170.11774	2.3
171.08066	1.3
171.10146	1.1
173.09584	3.7
173.13287	2.2
175.05772	1.7
175.11209	1.5
177.03445	2.8
177.07372	2.5
177.12691	1.6
179.04857	16.2
179.10690	1.9
181.06052	6.2
181.12317	2.2
183.11736	1.3
185.03807	11.8
186.02203	1.2
187.05389	11.0
187.11307	1.3
189.08931	1.4
189.11256	3.0
191.09047	0.9
191.10706	2.5
192.08432	2.3
193.06796	2.1
193.12280	3.7
194.10072	3.0
195.08405	2.2
196.11488	1.1
199.07195	1.5
201.07402	1.2
205.06865	1.4
205.12225	1.1
208.06100	1.7
211.07286	2.7
215.04889	3.6
217.06854	1.5
219.08388	3.2
222.09569	2.8
223.07947	1.2
223.13304	6.1
224.11049	2.3
225.09511	1.0
227.12804	2.3
231.04359	18.4
231.06450	1.7
233.05894	19.9
236.11105	3.6
238.12521	2.2
239.18045	1.6
240.10512	3.3
242.12096	1.7
245.05894	2.0
248.11000	1.1
254.12192	3.4
257.07578	1.8
257.19061	3.3
260.11020	1.4
266.12097	2.5
271.16971	2.8
275.20053	13.5
278.12180	2.2
283.15237	1.3
285.12946	1.7
288.06485	1.6
289.17908	6.1
290.08112	1.3
291.06540	1.3
291.19455	1.0
293.21173	5.0
297.12610	1.5
299.14316	1.2
303.14200	2.9
307.19153	1.4
308.09100	13.9
311.14362	5.6
318.18478	1.4
321.15259	2.4
323.14291	1.3
329.15643	3.7
345.20486	1.1
346.18323	7.7
347.16592	5.5
349.23718	11.0
361.18097	1.0
363.21750	3.0
364.19211	5.2
367.24820	11.8
374.17993	2.4
381.22650	2.8
381.41040	1.1
382.20581	2.0
392.19000	1.7
412.19092	1.3
420.22018	1.5
421.21158	1.7
431.19000	1.1
438.23026	1.4
439.22281	4.0
449.21216	1.9
456.23981	1.1
458.19736	1.7
467.22064	5.8
475.22501	1.5
481.71094	1.1
503.21927	1.5
521.23090	1.1
523.24426	1.5
533.22827	2.7
539.24005	1.0
541.25696	4.9
559.26831	5.5
578.25195	1.3
597.34808	1.0
614.27417	3.1
631.28033	1.4
637.40588	2.9
655.41577	3.5
670.30023	1.6
688.31079	2.0
695.39014	1.7
705.37592	2.7
706.31744	1.5
713.40643	4.0
717.37439	1.9
723.38721	2.2
724.59766	1.1
730.43323	3.9
731.42596	1.8
735.38605	1.7
748.44244	3.3
749.43488	2.2
758.42542	1.1
797.44037	6.2
815.44977	18.2
816.44745	3.0
833.46130	70.2
834.46423	7.5
851.47162	100.0
852.47217	8.7
869.47577	6.3
887.47882	4.9
905.32080	1.2
905.48193	17.3
906.47321	2.6
923.49335	27.0
924.48492	2.7
926.48083	1.6
944.49500	6.6
945.48755	1.3
962.50159	13.5
963.49365	1.5
980.51263	24.0
981.50055	4.2
998.52557	40.0
999.53699	5.3
1013.50220	1.4
1085.54675	1.4
1160.57263	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	1160.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05017	4.6
81.03419	4.2
81.07056	38.7
82.06576	1.2
82.07390	0.7
83.04973	3.8
83.06111	5.8
83.08631	5.4
84.04507	10.9
85.01144	1.3
85.02912	1.3
85.04038	1.3
85.06554	1.3
86.00673	2.1
86.99084	2.6
88.02237	1.4
91.05482	21.1
93.07044	13.1
94.06588	1.2
95.04972	7.6
95.08605	11.4
96.04525	1.6
97.01134	3.1
97.02888	1.2
97.06516	4.2
97.10159	4.7
98.00663	1.2
98.06084	0.8
99.02700	0.8
99.04497	1.0
99.05606	2.3
99.08054	1.2
100.02237	1.8
100.24910	0.6
102.05571	1.2
103.05496	1.2
105.03488	0.6
105.04539	0.8
105.07034	16.1
106.06599	0.9
107.04961	5.3
107.06112	1.8
107.08593	12.2
108.04510	1.9
109.02941	1.2
109.06530	8.4
109.07682	1.7
109.10151	5.3
110.06076	0.9
111.02696	2.1
111.04470	1.2
111.08124	2.4
112.02194	4.3
112.03984	0.8
113.00586	3.1
113.04244	0.9
114.03757	3.4
115.05486	2.2
116.01681	12.1
116.02464	0.9
117.07001	5.7
119.08584	12.0
120.08090	0.7
121.06551	2.8
121.10149	6.2
122.06001	0.6
123.02657	1.2
123.04493	1.0
123.08087	5.5
123.11726	3.3
124.02178	4.2
125.09609	3.7
126.03796	2.7
126.05526	0.8
127.02213	1.2
128.06277	1.4
128.83188	0.6
129.06854	3.7
130.05000	5.8
131.02847	1.0
131.04616	0.8
131.08575	8.2
131.09489	0.8
133.06508	1.4
133.10126	8.1
134.06035	1.3
134.09607	0.8
135.02687	1.9
135.05537	1.0
135.08067	4.0
135.11678	3.9
136.02200	1.4
136.03964	3.1
137.04222	0.9
137.09694	1.9
138.03783	2.5
139.02229	1.4
139.03294	2.9
139.05827	0.7
140.01706	2.8
141.04868	2.6
141.06926	0.9
142.03223	9.8
142.05017	1.0
142.07785	0.8
143.08609	2.3
144.01141	5.9
144.09271	0.7
145.06107	3.2
145.10150	4.9
146.02786	0.7
147.02667	0.7
147.08052	2.6
147.11687	7.2
149.04219	1.4
149.09628	3.3
149.13313	2.1
150.03810	1.2
151.02115	1.4
151.05821	1.5
151.11205	1.5
152.01662	0.8
153.06647	2.6
153.09195	0.7
153.12811	2.0
155.08333	2.5
157.10112	3.1
159.02284	1.1
159.08153	1.7
159.11676	3.2
160.11292	0.8
161.09637	3.4
161.13330	0.9
162.02209	13.9
162.03600	0.9
163.02199	0.9
163.05826	0.9
163.07549	0.9
163.11147	3.9
165.12788	1.7
169.06825	0.9
169.10207	1.0
170.02731	5.0
170.11838	1.0
171.07942	0.9
171.10361	0.8
171.11710	0.9
173.09651	1.6
173.11902	0.7
173.13307	1.2
175.11273	1.8
176.05312	0.9
177.03419	2.6
177.07454	1.5
177.12753	1.1
178.12343	0.6
179.04854	15.5
179.10649	1.0
181.06058	3.8
181.12364	1.4
183.11734	0.7
185.03824	8.2
185.13316	0.7
186.07790	1.0
187.05406	5.3
187.11238	0.7
188.29279	0.6
189.03479	1.7
189.11404	1.4
189.12894	0.6
191.09048	0.9
191.10675	1.0
192.08492	1.2
193.06700	1.1
193.12155	3.1
194.10057	2.7
195.08531	1.2
195.13858	0.7
196.11507	0.8
197.13408	0.7
199.05534	0.7
199.07220	1.7
203.05148	1.1
204.08551	1.3
205.06812	1.2
207.08382	0.7
208.06064	1.3
208.11613	0.7
211.07198	2.2
215.04906	3.5
217.06911	0.8
218.10077	0.7
219.08414	1.7
222.09566	2.4
224.11160	2.1
225.09451	0.7
227.05022	1.0
227.12941	2.2
229.45615	0.9
231.04349	11.0
233.05878	13.4
236.10989	1.1
238.12711	1.4
239.17937	0.7
240.10603	2.7
245.05965	2.3
247.20621	0.9
248.11188	0.8
249.09451	0.8
254.12029	3.0
257.07822	0.9
257.19183	1.0
266.12216	1.5
268.13593	0.6
271.17059	2.4
273.18628	1.6
275.15222	0.7
275.20108	11.0
278.12363	2.0
283.15356	1.1
285.13062	0.8
288.06628	1.1
288.10849	0.7
289.17911	4.8
290.08243	0.9
290.18414	0.7
291.06528	1.0
291.19470	0.7
293.21228	2.0
297.12659	1.1
301.16290	1.0
303.14273	2.2
305.15738	1.1
307.19211	1.3
308.09116	10.6
308.12149	0.9
309.09341	0.7
311.14261	4.3
321.15204	1.3
323.14154	0.9
329.15805	2.2
341.15942	0.7
345.20706	0.8
346.18253	8.1
347.16608	3.6
349.23785	4.3
363.21951	1.9
364.19250	2.9
367.24802	15.3
374.18042	2.1
381.22961	2.5
382.20578	1.2
392.18970	1.0
395.19284	1.0
412.19498	1.1
419.45737	0.8
420.22162	1.0
421.20908	2.2
431.18570	1.5
438.23218	1.3
439.22107	3.5
449.20990	1.4
456.24127	1.1
467.22150	4.0
503.22330	1.5
523.25049	1.9
533.23029	1.1
539.23859	1.0
541.25983	5.9
559.26892	6.0
614.27850	2.6
631.29181	1.9
637.40997	1.5
655.41943	2.8
669.38031	1.3
673.43304	1.4
687.38629	1.2
688.31091	2.7
706.31958	1.4
711.38824	1.1
712.42737	0.9
713.40808	2.0
717.37787	1.2
723.38641	4.3
730.43201	4.7
731.42804	1.8
735.39178	2.2
748.44128	4.8
749.43561	1.1
753.39648	2.3
766.45355	1.3
776.43634	0.8
787.28644	0.7
797.44153	2.0
815.44421	6.0
816.45813	0.8
833.46008	28.7
834.46423	5.3
851.47150	100.0
852.47546	14.1
863.45532	0.8
869.48035	5.2
870.48145	0.8
887.46936	2.7
905.48047	6.7
923.49243	23.0
924.49469	3.6
926.48016	1.5
944.50165	1.8
945.48389	1.2
962.50427	6.4
963.49683	1.3
980.51611	7.5
981.51025	2.6
998.52472	28.4
999.52814	4.9
1085.55310	1.0
1160.56567	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	1160.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05022	4.3
81.03415	3.3
81.07056	34.7
82.06593	1.4
82.07398	0.8
83.04990	3.8
83.06099	5.2
83.08622	4.8
84.04504	11.6
85.01140	1.2
85.02914	1.5
85.04047	0.8
85.06534	1.5
86.00665	1.4
86.99072	2.1
88.02238	1.6
91.05477	20.5
92.05801	0.5
93.07039	13.8
93.07608	0.8
93.35062	0.5
94.06586	1.2
94.07432	0.7
95.04969	7.0
95.08600	12.2
96.04511	1.8
97.01128	3.0
97.02919	1.3
97.06539	4.4
97.10162	4.7
98.00676	1.6
98.06081	0.8
98.22625	1.2
99.02670	0.8
99.04459	0.8
99.05599	1.7
99.08113	1.1
100.02208	1.2
102.05568	2.1
103.05511	1.3
105.04533	0.8
105.07027	13.8
106.06572	0.7
107.04961	4.7
107.06110	1.3
107.08598	9.6
107.09269	0.7
108.04519	1.4
108.08135	0.6
109.02902	1.3
109.06517	8.0
109.07681	1.5
109.10154	5.9
110.06049	1.2
111.02686	1.9
111.04475	2.1
111.08089	2.5
112.02193	3.8
112.03982	0.6
113.00586	2.4
114.03776	2.3
114.05549	0.7
115.05494	1.8
116.01672	12.8
116.03475	0.5
116.06242	0.6
117.06995	5.6
118.06547	0.9
118.94703	0.4
119.08581	10.9
120.08131	1.4
121.06508	3.5
121.10148	5.1
122.06028	0.6
123.01332	0.5
123.02701	1.5
123.04425	1.0
123.08076	5.0
123.11694	2.5
124.02174	3.5
124.11241	0.8
125.00632	0.9
125.04232	1.3
125.09621	4.8
126.01443	0.5
126.03786	2.9
126.05527	0.7
127.02149	0.6
128.06287	1.6
129.06697	3.3
130.05011	6.6
130.06490	0.7
131.02776	0.5
131.04590	0.5
131.08551	6.5
132.01193	0.7
132.08086	1.0
133.06551	1.4
133.10132	7.3
134.06042	0.7
134.09660	0.7
135.02696	1.6
135.04552	0.5
135.05530	1.0
135.08066	4.0
135.11676	3.4
136.02206	1.3
136.03978	2.1
136.07625	0.6
137.04231	1.1
137.05917	0.5
137.09645	2.1
138.03787	1.5
139.02222	0.9
139.03287	2.7
139.05811	0.8
140.00749	0.5
140.01637	2.6
141.04814	2.5
141.07069	1.0
141.97275	0.5
142.03212	7.6
142.07838	0.7
142.69583	0.5
143.02742	0.8
143.08553	3.3
144.01147	5.5
145.06088	3.3
145.10092	5.8
146.09560	0.7
147.02684	1.9
147.08014	2.1
147.11694	5.7
148.11179	1.1
149.02910	0.5
149.04247	0.7
149.05943	0.5
149.09607	2.7
149.13284	1.3
150.01337	0.6
151.02161	1.1
151.05818	1.5
151.11226	1.1
152.01645	1.2
152.05318	0.7
153.03761	0.7
153.06483	2.9
153.09213	0.8
153.12790	1.9
154.03175	0.8
155.07042	0.7
155.08205	3.1
156.06528	0.6
157.10094	2.4
159.02274	0.7
159.08060	2.7
159.11702	2.7
160.11162	0.8
161.04248	1.0
161.09613	4.0
161.13300	1.0
162.02213	13.0
162.03601	0.6
162.12762	0.7
163.02274	0.6
163.05762	0.7
163.07619	0.8
163.11160	3.9
165.07271	1.1
165.09149	0.5
165.12779	1.3
166.06902	0.8
169.06798	1.1
169.10213	1.3
170.02716	4.3
170.11734	0.6
171.07861	0.9
171.10365	0.5
171.11781	1.6
173.09673	1.5
173.13292	1.4
175.05811	1.1
175.11256	1.7
177.03459	1.5
177.07417	2.5
177.12781	1.0
178.06850	0.9
179.04854	14.1
181.06056	3.9
181.10033	0.7
181.12285	1.0
183.11740	0.6
185.03802	8.6
185.09662	0.5
185.13351	0.6
186.07664	0.6
187.05379	7.5
187.11206	0.9
189.03418	1.5
189.07526	0.6
189.09282	0.9
189.11285	2.4
191.05214	0.7
191.09000	0.8
191.10732	1.1
191.14301	0.7
192.08437	1.8
193.06972	2.3
193.12270	3.2
194.10039	2.7
195.08386	0.8
199.07265	1.9
201.12733	0.8
203.05147	0.6
204.08604	1.3
205.06798	0.9
207.08545	0.8
208.06161	1.7
208.11635	0.6
211.07329	1.5
212.11052	0.6
215.04929	3.1
216.03368	0.6
219.08464	1.7
222.09378	2.4
223.08020	1.3
224.11180	2.0
225.09497	1.4
227.05107	0.9
227.12782	2.7
229.19339	0.6
231.04350	10.4
232.04793	0.6
233.05904	12.4
236.11096	2.7
238.07098	0.7
238.12781	1.4
240.10609	1.8
243.04469	0.9
243.17537	0.7
245.05890	2.6
247.20723	0.6
248.11095	0.5
250.12714	1.2
254.12059	2.5
257.07639	0.7
257.19061	1.3
261.18536	1.2
264.10519	0.8
266.12219	1.5
268.13708	0.8
271.17068	1.8
273.18637	1.4
275.20065	8.5
276.20618	0.8
278.12137	2.3
283.15332	1.1
284.13239	0.9
288.06421	1.1
289.05042	0.6
289.17926	4.6
290.08249	0.7
291.06445	1.2
291.19629	1.4
293.21164	1.4
296.13260	0.6
297.12646	2.5
301.16385	0.8
303.14282	2.1
307.19205	0.6
308.09109	9.7
311.14233	4.6
312.19431	0.5
318.18954	0.6
319.17334	0.9
321.15302	1.9
323.14246	0.7
329.15607	2.4
345.20761	0.7
346.18307	9.2
347.16513	3.3
349.23663	3.6
351.13879	1.2
357.14993	0.9
363.21765	1.6
364.19302	4.4
365.17563	0.7
367.24796	10.2
374.17944	2.5
377.17841	1.0
381.22916	1.9
382.20547	1.7
392.19055	1.2
403.19846	0.9
420.22205	1.0
421.21237	2.2
430.20386	0.9
431.18872	1.0
439.22046	2.5
448.21674	0.5
449.21146	1.9
456.24414	1.0
467.22125	4.7
475.22641	2.0
485.23148	0.7
493.23520	0.6
503.22037	0.9
515.22382	0.9
521.23383	0.5
523.24805	1.3
533.23407	1.1
539.24561	0.6
541.25439	3.5
559.26697	3.5
607.27185	0.7
613.27838	0.9
614.27484	3.3
615.27771	0.6
631.28918	0.9
637.41705	0.9
652.28729	0.8
655.42114	2.5
670.29828	0.9
673.42883	0.8
687.39117	0.9
688.30756	2.4
695.39758	0.7
706.32135	0.7
711.38428	0.8
712.42108	0.7
713.40869	1.8
717.38062	1.0
723.38855	2.2
730.43353	4.2
731.42474	2.2
735.38617	2.1
748.44891	3.6
749.43365	0.7
753.39728	0.9
758.42688	0.6
766.45483	1.0
797.43817	1.0
815.45166	5.4
816.44708	0.9
833.46118	28.0
834.46558	3.3
851.47131	100.0
852.31024	0.8
852.47406	13.2
869.47882	5.6
870.48132	0.6
887.47443	2.0
905.48425	5.7
906.48871	1.4
923.49261	22.4
924.49762	3.4
926.48987	0.9
944.48846	3.0
962.50409	7.0
963.49817	1.4
980.51276	7.9
981.51306	2.4
998.52515	35.4
999.52466	7.0
1013.52100	0.7
1037.25037	0.6
1160.56653	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	117.0702
Annotation	INDENE
Peak:m/z	Relative Intensity
50.01595	0.4
51.02374	0.9
53.03714	0.5
53.03949	6.2
55.05500	0.4
62.88843	0.3
63.02322	0.3
65.03930	0.9
67.13202	0.3
67.50970	0.4
68.56754	0.3
70.06577	0.3
71.06922	1.1
72.08158	1.3
77.03922	1.2
81.03418	0.9
83.79926	0.4
91.05483	40.0
92.05820	1.4
95.04972	7.2
105.04513	3.3
115.05457	76.3
116.05801	3.6
116.06393	0.8
117.07019	100.0
118.06540	9.8
118.07363	6.3
118.08634	0.8
118.79382	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	117.0914
Annotation	1-Isopropoxyacetone
Peak:m/z	Relative Intensity
53.03956	7.3
55.05507	4.7
57.03444	100.0
58.03776	2.3
58.06583	1.7
59.04995	1.7
59.07376	1.8
61.70992	1.1
66.00029	1.4
69.60535	4.9
71.06940	7.8
71.08627	1.1
72.08161	7.9
75.04482	1.9
76.93384	3.1
79.05494	3.3
81.07049	2.5
89.03957	2.1
91.05482	7.0
95.04977	8.9
98.22548	1.3
98.97569	1.2
99.08096	11.7
105.04531	3.5
115.05473	7.3
117.05771	1.8
117.07023	8.5
117.09195	1.3
118.06553	15.7
118.08672	4.3
123.16094	1.1
138.84915	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	117.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	26.7
55.05512	13.6
56.96564	10.0
57.03436	100.0
58.06600	19.7
59.04982	7.9
59.07370	11.0
61.02921	10.1
62.20338	7.1
71.04996	61.8
71.08633	7.0
71.30470	10.3
72.08157	9.2
76.93374	32.5
81.07076	17.9
81.09472	6.6
89.03921	10.0
91.05500	20.3
95.04954	31.1
98.97570	9.1
99.08066	7.1
100.34453	6.3
105.04514	14.5
115.05492	19.8
116.98659	13.8
117.05766	9.0
117.06992	18.7
117.09162	8.0
118.06545	68.2
118.08652	38.4
119.74086	5.7
121.30942	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	1170.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03438	0.4
84.08145	0.2
85.02918	0.1
87.52156	0.1
89.03928	0.3
91.05482	14.8
92.05826	0.3
94.04224	0.3
95.05032	0.1
96.50356	0.1
97.02908	0.2
105.03380	0.1
109.02873	1.6
110.07167	0.3
115.05468	0.4
117.03394	0.3
119.04945	23.5
120.05267	0.7
122.03651	0.3
127.03928	0.3
129.04553	0.1
133.02887	0.1
137.05977	3.5
143.04903	0.2
144.13661	0.1
145.02835	0.8
145.36237	0.1
147.04411	100.0
148.04741	2.8
151.03905	0.6
159.04387	0.1
160.05188	0.3
161.06029	0.1
162.06726	0.1
171.04352	0.2
175.03897	0.1
175.07549	0.7
177.05521	0.9
179.03409	0.3
187.07526	0.2
201.05339	1.1
203.07036	0.2
203.74425	0.1
205.06630	0.2
211.07497	0.2
213.05548	0.2
219.06393	0.6
222.06816	0.1
228.07446	0.1
229.08600	1.0
231.06531	0.4
233.05882	0.1
234.06776	0.4
235.07501	0.2
249.09282	0.2
255.06464	0.2
256.07407	0.1
262.06094	0.2
265.08658	0.3
271.09711	0.5
273.07593	1.5
277.08658	0.6
279.06754	0.1
279.09998	0.2
293.08023	0.2
294.08789	0.2
305.08090	0.1
307.09460	0.1
309.11124	0.3
311.12823	0.2
325.10629	0.2
337.10739	0.8
354.98871	0.1
355.11752	1.1
419.11264	1.3
450.30286	0.1
499.15775	0.2
601.16974	0.8
1171.27063	0.1
1171.52063	0.1
1171.90002	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	1170.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03439	0.4
89.03913	1.1
91.05482	13.7
92.05811	0.5
97.02892	0.1
103.05428	0.1
109.02880	2.0
117.03382	2.1
119.04943	22.0
120.05262	0.7
127.03902	0.3
133.02907	0.2
134.03619	0.2
135.04373	0.2
137.05981	0.4
145.02861	4.1
146.03206	0.1
147.04410	100.0
148.04745	3.0
148.05917	0.2
149.05969	1.0
162.06712	0.1
165.05563	0.1
175.03926	0.2
177.05470	4.8
178.05763	0.2
179.03418	0.4
179.06989	0.2
185.05855	0.1
201.05484	0.7
213.05479	0.2
229.08565	0.9
231.06425	0.1
233.05988	0.2
255.06598	0.2
265.08737	0.1
273.07559	1.7
274.08182	0.1
293.08002	0.2
305.08020	0.2
321.09613	0.1
325.10870	0.4
325.14175	0.1
337.10587	0.3
355.11853	0.6
373.12881	0.2
419.11337	1.6
420.11667	0.2
455.13330	0.2
517.17047	0.1
535.17743	0.2
601.16992	0.9
602.17206	0.2
761.33868	0.1
1180.08606	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	1170.382
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	0.3
84.08168	0.2
85.02903	0.2
86.09689	0.1
89.03911	0.3
91.05482	14.9
92.05823	0.3
94.04187	0.2
97.02934	0.1
107.04948	0.1
109.02882	2.0
109.06523	0.1
110.07154	0.3
114.77885	0.1
115.05460	0.4
117.03381	0.2
119.04947	23.3
120.05273	0.7
122.03667	0.4
127.03918	0.3
131.04887	0.1
137.05977	3.5
138.06326	0.1
143.04907	0.2
145.02856	0.5
145.06429	0.1
147.04413	100.0
148.04745	3.1
149.06000	0.2
151.03896	0.4
156.07697	0.3
158.31915	0.1
160.05162	0.4
161.06046	0.1
162.93346	0.1
175.07561	0.5
177.05496	0.9
179.03386	0.3
187.07547	0.3
201.05345	0.9
204.97086	0.1
208.43796	0.1
211.07584	0.3
219.06528	0.4
229.08618	1.1
231.06503	0.6
234.06702	0.3
237.09203	0.1
240.07784	0.1
247.07549	0.1
249.09090	0.3
255.06462	0.3
261.08881	0.1
262.06320	0.1
265.08615	0.3
271.09711	0.6
273.07568	1.5
277.08505	0.7
279.06516	0.1
279.10156	0.2
293.08063	0.1
297.11261	0.1
305.07755	0.1
309.11337	0.5
311.12878	0.3
337.10681	0.8
343.11749	0.1
355.11804	1.3
419.11209	1.2
547.31757	0.1
601.16754	0.6
1156.00696	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	1171.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	2.4
86.65663	0.5
89.03903	2.3
91.05491	1.3
93.03403	1.1
95.04987	1.5
95.28276	0.4
97.02928	1.0
97.11440	0.4
99.04480	0.7
103.05467	1.4
105.03409	1.4
105.97306	0.5
107.01304	1.3
107.04964	2.7
109.02869	1.5
111.00819	3.7
111.04448	3.1
115.05470	1.9
117.03386	1.2
117.07045	0.6
119.04955	1.3
121.02847	1.1
122.66628	0.5
123.04432	36.0
125.02358	3.1
127.03918	24.9
129.07025	1.0
131.04944	2.7
131.08575	0.5
133.06416	0.4
135.04420	20.9
136.04739	0.5
137.02348	3.4
137.03314	0.9
139.03902	17.8
141.06995	2.4
143.03416	4.9
143.04846	1.0
145.02859	1.2
145.06526	1.4
147.04405	7.4
149.02348	2.7
149.05994	1.3
150.03143	1.0
151.03912	11.1
153.01836	100.0
153.02904	5.7
153.06998	1.9
154.02164	2.4
155.04910	3.0
157.06508	1.4
159.04425	2.1
161.02345	1.5
161.05977	2.5
163.03909	25.3
164.04376	0.5
165.05478	1.3
165.06981	0.9
167.03416	1.2
167.04848	0.7
169.05162	0.5
169.06468	2.9
171.04384	0.5
173.05994	5.7
175.03918	4.9
175.07545	0.6
177.01823	0.8
177.05476	3.4
179.03389	9.7
180.03751	0.6
181.05067	0.6
181.06459	2.6
183.04370	2.4
185.06015	2.9
187.03897	6.5
187.05424	0.5
187.07559	0.8
189.01770	0.7
189.05464	4.4
191.03391	2.2
191.07043	0.6
193.04950	3.0
197.06015	4.2
198.06354	0.6
199.03891	1.3
199.07597	1.0
201.05490	8.7
203.03394	7.5
203.07005	1.6
205.04929	1.1
207.02925	1.3
209.05975	2.5
211.03856	1.3
213.05470	5.1
215.03442	2.5
215.07027	2.5
217.04910	5.4
219.06502	0.7
221.06061	0.9
223.02237	0.9
225.05402	2.4
227.03395	1.4
227.07054	1.9
229.04967	10.8
231.06595	1.4
233.04382	1.1
237.05457	5.3
239.07066	1.1
241.04962	3.9
243.06467	2.8
245.04460	19.1
246.04800	0.5
247.06017	40.4
248.06378	0.9
249.05357	0.9
253.04959	3.6
255.06488	6.8
256.07098	0.6
257.04477	7.0
259.03278	0.7
259.06021	12.4
261.07587	1.4
265.04971	5.3
267.06537	1.3
269.04459	29.6
270.04901	1.4
271.06018	63.6
272.06357	2.9
273.07529	2.2
275.05585	1.9
279.06598	0.8
281.04370	2.0
283.06012	38.7
284.06564	2.3
285.07611	1.5
287.05499	23.6
288.05798	1.1
289.07071	10.1
291.05249	0.7
291.08786	0.8
293.08090	0.5
295.05978	7.7
297.04031	0.9
297.07544	1.5
299.05487	10.3
301.07074	2.5
303.05103	1.0
305.04459	0.6
305.07953	0.6
307.05997	1.6
309.04022	1.0
309.07422	0.6
311.05496	3.9
313.07050	5.6
315.05118	2.0
319.06097	0.6
321.07623	1.5
323.05466	6.4
324.05563	0.5
327.05365	0.6
329.06699	0.5
331.04404	5.4
333.07693	0.6
335.05664	0.7
339.04871	0.5
341.06760	0.8
347.05319	0.7
349.06897	0.8
351.05005	1.1
361.06952	0.8
363.08746	1.6
365.06668	1.9
373.06738	0.8
375.08817	0.6
376.05811	0.7
377.06433	1.7
379.07645	0.6
383.07837	1.1
389.06586	4.1
391.08051	5.2
393.09830	10.6
394.09860	0.9
395.07587	1.3
397.09067	1.3
401.06577	0.7
403.08151	1.0
405.05945	1.9
407.07614	13.5
408.07614	0.9
409.09183	25.4
410.09592	1.9
411.10684	1.2
415.08038	1.0
417.09668	1.4
419.07568	8.7
421.09225	4.6
422.09625	0.7
423.06763	0.9
425.08752	0.9
431.07693	0.9
433.09229	2.8
439.10934	2.8
441.08301	2.8
443.09641	1.3
447.07294	0.8
449.08279	0.6
451.10150	2.1
505.48355	0.6
517.11273	2.3
527.09766	4.8
529.10864	1.4
539.09930	0.6
541.11328	3.2
543.12555	1.3
544.50751	0.5
545.10632	2.0
553.11255	1.2
557.10956	1.7
559.12006	1.8
563.11713	5.3
571.12024	1.8
579.11237	2.3
587.11731	1.6
619.10205	1.1
661.12915	1.3
679.14178	1.8
697.13611	1.7
831.15112	0.9
1042.30420	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	1171.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	2.4
86.65663	0.5
89.03903	2.3
91.05491	1.3
93.03403	1.1
95.04987	1.5
95.28276	0.4
97.02928	1.0
97.11440	0.4
99.04480	0.7
103.05467	1.4
105.03409	1.4
105.97306	0.5
107.01304	1.3
107.04964	2.7
109.02869	1.5
111.00819	3.7
111.04448	3.1
115.05470	1.9
117.03386	1.2
117.07045	0.6
119.04955	1.3
121.02847	1.1
122.66628	0.5
123.04432	36.0
125.02358	3.1
127.03918	24.9
129.07025	1.0
131.04944	2.7
131.08575	0.5
133.06416	0.4
135.04420	20.9
136.04739	0.5
137.02348	3.4
137.03314	0.9
139.03902	17.8
141.06995	2.4
143.03416	4.9
143.04846	1.0
145.02859	1.2
145.06526	1.4
147.04405	7.4
149.02348	2.7
149.05994	1.3
150.03143	1.0
151.03912	11.1
153.01836	100.0
153.02904	5.7
153.06998	1.9
154.02164	2.4
155.04910	3.0
157.06508	1.4
159.04425	2.1
161.02345	1.5
161.05977	2.5
163.03909	25.3
164.04376	0.5
165.05478	1.3
165.06981	0.9
167.03416	1.2
167.04848	0.7
169.05162	0.5
169.06468	2.9
171.04384	0.5
173.05994	5.7
175.03918	4.9
175.07545	0.6
177.01823	0.8
177.05476	3.4
179.03389	9.7
180.03751	0.6
181.05067	0.6
181.06459	2.6
183.04370	2.4
185.06015	2.9
187.03897	6.5
187.05424	0.5
187.07559	0.8
189.01770	0.7
189.05464	4.4
191.03391	2.2
191.07043	0.6
193.04950	3.0
197.06015	4.2
198.06354	0.6
199.03891	1.3
199.07597	1.0
201.05490	8.7
203.03394	7.5
203.07005	1.6
205.04929	1.1
207.02925	1.3
209.05975	2.5
211.03856	1.3
213.05470	5.1
215.03442	2.5
215.07027	2.5
217.04910	5.4
219.06502	0.7
221.06061	0.9
223.02237	0.9
225.05402	2.4
227.03395	1.4
227.07054	1.9
229.04967	10.8
231.06595	1.4
233.04382	1.1
237.05457	5.3
239.07066	1.1
241.04962	3.9
243.06467	2.8
245.04460	19.1
246.04800	0.5
247.06017	40.4
248.06378	0.9
249.05357	0.9
253.04959	3.6
255.06488	6.8
256.07098	0.6
257.04477	7.0
259.03278	0.7
259.06021	12.4
261.07587	1.4
265.04971	5.3
267.06537	1.3
269.04459	29.6
270.04901	1.4
271.06018	63.6
272.06357	2.9
273.07529	2.2
275.05585	1.9
279.06598	0.8
281.04370	2.0
283.06012	38.7
284.06564	2.3
285.07611	1.5
287.05499	23.6
288.05798	1.1
289.07071	10.1
291.05249	0.7
291.08786	0.8
293.08090	0.5
295.05978	7.7
297.04031	0.9
297.07544	1.5
299.05487	10.3
301.07074	2.5
303.05103	1.0
305.04459	0.6
305.07953	0.6
307.05997	1.6
309.04022	1.0
309.07422	0.6
311.05496	3.9
313.07050	5.6
315.05118	2.0
319.06097	0.6
321.07623	1.5
323.05466	6.4
324.05563	0.5
327.05365	0.6
329.06699	0.5
331.04404	5.4
333.07693	0.6
335.05664	0.7
339.04871	0.5
341.06760	0.8
347.05319	0.7
349.06897	0.8
351.05005	1.1
361.06952	0.8
363.08746	1.6
365.06668	1.9
373.06738	0.8
375.08817	0.6
376.05811	0.7
377.06433	1.7
379.07645	0.6
383.07837	1.1
389.06586	4.1
391.08051	5.2
393.09830	10.6
394.09860	0.9
395.07587	1.3
397.09067	1.3
401.06577	0.7
403.08151	1.0
405.05945	1.9
407.07614	13.5
408.07614	0.9
409.09183	25.4
410.09592	1.9
411.10684	1.2
415.08038	1.0
417.09668	1.4
419.07568	8.7
421.09225	4.6
422.09625	0.7
423.06763	0.9
425.08752	0.9
431.07693	0.9
433.09229	2.8
439.10934	2.8
441.08301	2.8
443.09641	1.3
447.07294	0.8
449.08279	0.6
451.10150	2.1
505.48355	0.6
517.11273	2.3
527.09766	4.8
529.10864	1.4
539.09930	0.6
541.11328	3.2
543.12555	1.3
544.50751	0.5
545.10632	2.0
553.11255	1.2
557.10956	1.7
559.12006	1.8
563.11713	5.3
571.12024	1.8
579.11237	2.3
587.11731	1.6
619.10205	1.1
661.12915	1.3
679.14178	1.8
697.13611	1.7
831.15112	0.9
1042.30420	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	1171.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	1.5
82.44530	0.7
83.05054	0.9
89.03914	2.0
89.25332	0.9
93.03402	1.3
95.04985	2.2
97.02866	1.1
103.05476	1.3
105.03376	1.4
107.01315	1.2
107.04944	2.4
109.02891	1.7
111.00808	3.2
111.04438	4.5
115.05423	1.1
116.21980	0.7
117.03374	2.0
119.04964	1.0
121.02879	1.4
123.04434	52.5
124.04797	0.9
125.02367	2.6
127.03920	18.1
131.04953	2.3
133.06395	0.9
133.83775	0.7
135.04427	22.9
137.02303	3.3
139.03905	16.9
141.07002	1.8
143.03387	5.6
143.04985	0.8
145.06442	1.1
147.04431	5.4
149.02359	2.6
150.03174	0.8
151.03912	9.9
153.01833	100.0
153.02872	4.9
154.02184	1.7
155.04930	1.7
159.04396	2.3
161.05965	2.2
163.03918	21.5
165.05524	1.3
165.06917	1.3
169.06442	1.6
173.05988	5.7
175.03923	1.8
177.05463	2.2
179.03392	16.2
181.06519	1.7
183.04465	2.0
185.06020	2.4
187.03859	4.7
189.05432	2.3
191.03383	2.5
193.04970	0.9
193.06499	1.1
197.05963	5.1
201.05447	8.2
203.03407	5.6
203.07025	2.0
211.04048	0.9
213.05478	4.1
215.06929	1.2
217.05075	1.2
219.06578	1.4
221.06184	1.0
225.05482	3.2
229.04973	8.5
231.06543	1.8
237.05475	1.6
239.07011	1.3
240.07063	0.9
241.04982	2.6
243.06564	2.4
245.04417	8.3
247.06026	35.2
248.06351	1.2
249.05421	1.6
253.04875	3.8
255.06595	3.3
257.04434	5.5
259.06067	3.5
261.07639	2.1
265.04834	1.3
267.06537	1.6
269.04483	10.3
271.06015	77.0
272.06354	3.3
273.07657	1.2
275.05414	2.5
281.04477	1.0
283.05972	10.5
285.07596	1.9
287.05435	13.0
289.07059	10.9
291.04987	1.6
295.05997	12.6
297.07669	2.1
298.86389	0.8
299.05444	6.2
301.07123	1.7
303.05075	0.8
303.08643	1.7
311.05591	2.4
313.07047	3.2
315.05130	2.3
323.05508	2.0
331.04440	12.1
361.07019	0.8
383.07953	1.0
389.06497	1.6
391.08084	2.1
393.09665	2.3
407.07706	5.5
409.09213	8.4
410.40573	0.9
411.10608	2.8
417.09470	2.9
419.07587	4.0
421.09274	8.2
433.09039	2.9
435.10580	1.9
439.10349	1.2
441.08264	5.1
517.11340	1.0
527.08411	0.8
541.11041	2.1
543.12714	3.3
559.12115	1.0
563.12024	2.1
591.11481	1.6
911.02075	0.8
963.92749	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	1171.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	2.6
89.03909	2.8
95.04992	1.4
107.04954	2.7
109.02877	2.3
111.00801	3.0
111.04448	4.4
112.08252	1.0
115.05504	1.6
121.02843	1.0
123.04428	30.3
125.02380	2.2
127.03921	25.9
131.04886	1.7
135.04410	18.3
137.02336	3.7
139.03897	14.2
141.06998	2.4
143.03398	5.9
147.04398	4.1
149.02289	2.0
149.05956	1.7
151.03928	8.7
153.01833	100.0
153.02907	5.2
153.06952	1.2
154.02225	1.1
155.04935	1.5
157.06487	1.0
159.04424	1.8
161.06006	1.7
163.03905	17.7
163.05196	1.7
165.05524	1.5
167.03383	2.3
169.06418	1.7
173.05972	5.0
175.03960	1.9
177.05450	2.1
179.03392	20.3
183.04456	4.1
185.05981	1.0
186.84096	1.2
187.03879	5.3
189.05286	1.3
191.03383	3.9
197.06001	4.0
201.05458	7.4
203.03416	5.4
203.07008	3.3
213.05406	3.8
215.03372	1.9
219.06558	1.9
221.06117	1.2
225.05528	2.4
229.04979	10.0
233.04468	1.6
237.05418	1.1
241.04979	2.5
243.06474	2.7
245.04442	4.3
247.06027	24.9
253.04964	3.2
255.06422	1.8
257.04480	7.5
259.05917	2.7
265.05099	1.5
267.06613	1.1
269.04407	4.0
271.06012	66.2
272.06378	3.8
273.07565	2.9
275.05502	4.1
277.04831	1.5
281.04422	2.0
283.05988	8.9
287.05524	12.1
289.07001	9.0
295.06067	4.0
299.05582	4.6
301.07022	4.6
307.05844	1.1
315.04962	2.5
331.04443	15.7
377.06836	1.1
391.07932	2.0
393.09818	2.1
401.06424	4.3
403.08185	1.9
407.07816	1.4
409.09244	12.1
410.09518	2.0
421.09189	4.7
427.10114	3.3
431.07257	1.4
441.07932	2.6
527.09772	2.0
535.10480	1.0
541.10785	1.4
543.12335	1.4
545.10297	1.3
553.11353	1.2
579.11267	2.2
679.13440	1.8
728.68488	1.1
831.14307	1.1
927.51459	1.0
1120.80310	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	1171.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	1.7
85.02876	0.7
86.09724	0.5
87.77676	0.4
89.03917	2.0
91.02724	0.4
91.05494	0.9
95.04962	1.2
96.31312	0.5
97.02895	1.0
103.05473	1.1
105.03405	1.1
107.01318	1.7
107.04951	3.0
109.02859	0.7
110.07185	0.5
111.00802	3.6
111.04448	1.4
115.05464	2.6
117.03445	0.5
117.06944	0.6
118.04057	0.5
118.16603	0.4
119.04950	0.7
121.02866	0.8
123.04435	31.6
124.04774	0.6
125.02334	1.9
127.03923	20.0
129.06953	0.5
131.04964	3.0
133.06479	0.5
135.04416	20.2
137.02351	4.0
137.03328	0.7
137.06013	0.7
139.03906	13.5
141.06973	2.6
143.03400	5.4
143.04857	1.1
144.45895	0.5
145.02765	0.8
145.06517	1.6
147.04413	6.9
149.02330	2.2
149.05971	0.6
151.03915	8.0
153.01831	84.6
153.02902	4.4
154.02187	1.5
155.03383	2.0
155.04918	3.9
155.06039	0.8
157.06496	1.7
159.04417	3.2
161.02351	0.5
161.05972	3.5
163.03911	25.7
164.04291	1.0
165.01892	0.6
165.05464	1.3
165.06866	0.5
167.03404	0.7
168.05780	0.5
169.05177	0.5
169.06487	2.3
170.43266	0.4
173.05981	6.6
175.03886	4.2
175.07646	0.7
176.04614	0.5
177.05495	2.8
179.03403	18.0
181.04939	0.8
181.06427	1.1
183.04384	2.9
185.05980	2.4
187.03848	7.0
187.07536	0.9
189.01811	0.7
189.05452	3.0
191.03372	3.5
193.04984	1.5
193.97774	0.5
197.05980	5.7
199.03935	0.7
200.04591	0.5
201.05464	8.9
201.07310	0.7
202.05920	0.7
203.03407	9.8
203.07007	3.7
205.04919	1.4
211.03954	1.2
213.05450	3.1
214.06241	0.5
215.03439	3.2
215.06931	2.3
217.04955	1.9
219.06439	0.5
221.06053	0.6
223.02242	0.9
223.07466	0.8
224.04671	0.5
225.05429	4.6
226.06085	0.5
227.03520	0.6
229.04979	14.1
231.02911	0.9
231.06450	1.0
233.04440	1.6
237.05370	1.3
241.04948	2.7
243.02908	0.7
243.06491	4.4
244.03738	1.0
245.04456	45.3
246.04811	2.0
247.06018	38.8
248.06427	1.3
249.05626	0.7
253.04971	5.7
255.06396	2.2
257.04453	7.7
258.05255	1.0
259.05884	3.0
265.04990	0.9
267.06482	0.8
269.04456	4.7
270.05222	3.0
271.06000	100.0
272.06332	3.2
273.04498	0.5
273.07523	2.1
274.04663	1.6
275.05444	7.1
279.06583	0.7
281.04477	2.8
282.05115	0.6
283.05994	6.9
285.03876	1.5
285.07419	0.8
287.05417	11.5
289.06992	11.6
295.05850	3.0
297.07471	0.6
299.05301	3.2
301.07013	4.5
303.05090	0.9
307.05807	0.8
309.03714	1.0
311.05493	2.3
313.01221	0.5
313.07077	2.0
315.05185	1.7
317.07016	0.9
319.06140	0.8
321.07578	0.6
323.05539	1.7
327.05588	0.6
331.04465	12.3
333.07562	0.8
335.09186	0.8
345.07443	2.0
357.07590	0.6
359.08813	0.5
361.06989	1.4
363.08521	1.7
367.07938	0.9
373.07089	1.9
377.06348	1.1
379.08044	3.2
387.08588	1.1
389.06229	2.2
391.08038	5.2
393.09528	1.6
395.07593	1.5
396.08536	0.9
397.09219	12.3
401.06793	2.2
403.08255	1.4
405.05545	1.0
405.10059	0.7
407.07608	14.7
408.07785	0.7
409.09137	11.8
410.09418	0.6
415.08191	3.5
419.07697	3.2
421.09128	1.7
423.06961	0.6
425.08371	1.8
427.10193	1.0
431.07724	1.4
433.09256	11.3
435.10800	1.0
437.08682	3.3
439.10028	1.6
441.08145	1.4
449.08734	6.5
451.10434	4.1
517.11047	1.0
523.09534	0.6
527.09418	1.7
529.11206	1.5
541.04791	0.5
541.11426	5.2
553.10852	2.1
559.12213	3.0
561.09991	1.4
563.11853	0.9
579.10980	0.8
585.09589	0.6
679.13916	1.1
697.11279	0.6
851.17981	0.9
1001.16309	1.1
1019.28198	0.5
1147.16895	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	1176.5746
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04991	8.2
83.06129	10.7
83.08614	9.7
84.04515	19.5
85.02907	3.0
86.00642	4.0
86.99052	4.9
88.02214	4.2
89.19176	1.9
89.23499	1.8
91.05492	32.6
93.07046	22.9
95.04970	14.5
95.08614	16.9
96.04531	2.7
97.01107	6.2
97.02927	2.1
97.06561	4.4
97.10187	13.9
97.10738	2.8
97.61075	1.7
98.00668	2.8
98.22577	2.6
99.05614	2.8
102.05515	2.6
105.04546	2.3
105.07031	17.3
107.04971	10.2
107.06075	2.9
107.08613	20.3
108.04482	4.3
109.06531	12.1
109.07645	4.7
109.10176	10.9
111.02707	3.3
111.04463	4.2
111.08080	4.3
112.02197	7.3
112.03944	2.4
113.00594	2.8
114.03737	4.1
115.05446	3.8
116.01685	19.2
117.07044	11.3
119.08599	19.5
121.06535	6.2
121.10157	7.8
123.02699	3.3
123.04430	3.5
123.08102	10.7
124.02179	6.5
125.04246	2.5
125.09633	11.2
126.03726	7.6
128.06190	3.5
129.06847	8.2
130.04994	11.3
131.08603	12.6
133.06474	2.4
133.10126	7.8
135.02646	4.6
135.08072	7.7
135.11703	5.9
136.03981	6.0
137.09618	2.9
138.03725	3.0
139.02161	2.5
139.03252	4.1
139.05707	2.2
140.01691	3.4
141.04785	4.4
142.03247	16.0
143.08566	6.3
144.01175	8.7
145.06352	3.5
145.10152	10.3
147.02615	3.6
147.08101	5.9
147.11678	4.7
149.09660	4.2
151.05724	2.3
153.06607	3.2
153.09064	2.4
153.12723	5.9
155.08286	2.9
157.10173	3.7
159.02188	2.8
159.08107	3.0
159.11757	3.0
160.11237	3.1
161.09569	10.9
162.02220	16.8
163.02098	2.1
163.07535	2.5
163.11180	10.6
165.09100	2.5
169.06879	3.1
169.10167	2.5
170.02742	8.5
173.09644	5.4
175.11226	6.3
177.03354	2.9
177.07390	5.0
177.12711	3.3
179.04861	20.8
181.06126	8.5
181.12308	3.0
185.03752	12.8
187.05420	13.2
187.11234	3.6
189.11224	4.2
191.05215	2.6
191.10724	2.4
192.08292	3.0
193.06726	3.0
193.12199	4.6
194.09998	2.6
199.07143	3.5
212.11105	2.4
215.04913	3.5
219.08446	2.6
224.11031	3.7
227.12737	7.1
231.04393	22.3
233.05919	23.0
236.10947	3.4
243.17499	2.9
245.06003	3.7
248.11082	2.2
254.12097	3.0
257.07623	3.2
271.16891	3.5
273.18552	12.3
278.12125	3.4
289.18069	7.2
291.19589	12.9
303.14230	3.5
308.06119	2.1
308.09128	11.9
311.14194	6.9
321.15286	2.8
323.22031	2.3
329.15698	2.9
346.18436	12.9
347.16809	5.9
347.22107	3.2
363.21738	4.3
364.19543	5.7
365.23114	10.1
374.17960	3.6
383.24136	10.4
439.21878	3.8
456.23849	2.8
467.21976	6.8
487.83459	2.7
533.23486	2.6
541.25739	6.1
559.26483	5.1
614.26807	2.5
631.28851	2.8
688.31024	3.9
710.40588	2.5
711.38116	3.8
721.37415	3.5
746.42206	3.4
813.42572	9.0
831.44629	30.9
832.43719	3.9
849.45709	69.1
850.45117	7.1
867.46722	100.0
868.46796	15.9
880.44843	2.3
885.45996	6.3
903.46710	11.5
921.47949	15.7
922.48059	4.7
939.48602	27.7
940.48706	3.9
942.47113	2.7
960.47449	4.4
978.50116	12.0
996.51581	17.0
1014.52075	36.8
1015.50946	6.3
1185.81323	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	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03945	5.6
54.29871	0.8
58.06589	2.7
59.07375	2.1
72.08144	2.0
76.93375	5.7
77.03898	0.9
81.03401	1.1
91.05482	50.1
92.05840	1.1
94.94410	2.4
95.04977	5.7
95.40128	0.8
98.23388	1.2
102.59367	0.8
105.04514	3.0
117.05757	5.4
118.06545	100.0
118.08595	6.2
119.04919	1.3
119.06091	2.1
119.06875	5.4
119.08579	1.1
122.41534	0.7
123.30386	1.0
128.26955	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01600	2.4
51.02386	10.2
52.60558	1.5
53.03951	78.1
54.04270	3.0
54.54072	1.4
55.01880	3.2
59.58390	1.9
65.03941	5.9
68.82275	1.7
69.11190	3.0
69.11598	8.7
72.08167	3.2
77.03929	14.0
79.05499	5.3
81.03433	7.5
91.05486	100.0
93.07055	6.7
95.04974	78.9
96.05337	2.4
103.05473	12.1
104.06269	9.8
105.04523	40.1
115.05463	7.2
117.07016	36.6
118.06551	87.5
119.04941	6.0
119.06116	3.2
119.06882	3.4
119.08583	68.9
120.98338	1.5
129.35603	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	118.0655
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01591	1.8
51.02387	6.2
53.03949	63.7
54.04276	1.9
55.01860	3.0
55.05519	5.7
58.06600	10.9
59.04985	1.6
59.07383	8.4
62.06566	1.2
65.03941	14.2
69.56590	5.2
72.08155	22.7
77.03928	12.7
81.03433	6.1
91.05482	100.0
92.02474	1.2
95.04967	67.9
96.05329	1.3
105.04516	31.5
106.04902	1.1
111.24445	1.0
118.06544	82.7
118.08649	24.9
119.03602	5.1
119.04940	21.1
119.05830	1.6
119.06114	1.1
119.06882	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	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	2.1
51.02158	0.9
51.02386	11.0
53.03951	81.3
54.04266	1.9
54.37599	0.7
55.01882	4.5
57.15922	0.7
58.06594	0.8
63.17323	0.7
65.03947	1.5
68.84416	0.7
72.08141	1.0
76.93361	0.9
77.03934	15.1
79.05517	1.8
81.03417	9.0
91.05486	31.4
95.04973	93.3
96.05302	3.2
103.05473	2.2
104.06229	1.5
105.04521	41.2
106.04884	1.8
117.07028	5.8
118.06547	100.0
119.04975	1.3
119.06133	1.4
119.06881	6.2
119.08584	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.3
51.02392	1.9
53.03951	14.5
54.04300	0.4
55.01873	0.8
55.05519	1.7
58.06604	42.0
59.07386	40.8
60.07716	0.9
65.03939	1.1
69.49959	1.5
72.08161	6.3
77.03934	3.3
81.03419	1.2
88.78542	0.3
91.05484	5.1
95.04978	15.6
96.05299	0.4
99.09127	0.3
99.09882	0.3
104.57391	0.3
105.04530	7.4
106.04852	0.3
118.06563	16.9
118.08661	100.0
119.03605	0.4
119.04967	0.5
119.06893	0.8
119.09011	3.0
127.80894	0.3
130.23595	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01600	3.4
51.02384	11.6
53.03951	70.2
54.04280	1.6
55.01868	3.6
62.00277	1.3
65.03939	5.5
69.34341	5.9
76.93356	2.1
77.03921	11.7
79.05501	2.4
81.03413	5.9
91.05485	57.6
93.07071	1.1
95.04972	78.7
96.05306	2.5
98.23415	2.0
103.05463	5.6
104.06258	3.5
105.04523	38.6
106.04887	1.1
115.05476	1.9
117.07032	7.1
118.06548	100.0
119.04958	5.2
119.06112	1.9
119.06878	4.7
119.08586	26.7
135.42935	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01588	2.5
51.02386	11.0
53.03952	87.0
54.04276	2.7
55.01866	5.1
58.06588	2.4
63.35637	1.2
65.03930	3.6
67.29593	1.3
69.69798	2.3
69.70193	2.8
72.08183	1.7
76.92881	1.1
77.03922	13.3
78.04683	1.6
79.05485	6.4
81.03415	9.9
82.96083	1.1
91.05488	92.8
93.07047	5.9
95.04975	95.0
95.84890	1.1
96.05315	3.8
102.04696	1.4
103.05482	14.6
104.06253	12.5
105.04520	47.9
106.04850	2.7
112.19991	1.2
114.58469	1.4
115.05475	7.4
117.07027	42.3
118.06549	100.0
118.08686	3.9
119.06070	3.1
119.06885	6.2
119.08586	71.9
131.06110	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
50.01601	0.6
51.02380	2.2
53.03951	18.2
55.01871	1.1
55.05510	4.9
56.61766	0.5
58.06603	45.1
59.07386	39.8
60.07705	0.9
65.03947	2.7
71.22608	1.0
72.08161	25.4
73.08492	0.8
76.93369	1.2
77.03932	4.3
81.03419	1.9
91.05485	15.6
95.04976	19.2
99.89619	0.5
105.04527	9.9
118.06554	21.6
118.08660	100.0
119.03601	1.0
119.04941	3.4
119.06871	1.0
119.09031	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03949	1.1
55.05518	0.3
55.19745	0.3
58.06602	44.3
59.07384	40.8
60.07082	0.3
60.07715	1.0
60.68568	0.3
64.54485	0.3
69.78724	1.4
70.06592	0.4
71.12164	0.3
72.08154	2.4
73.17669	0.3
73.80701	0.3
91.05484	1.0
95.04955	0.8
118.08658	100.0
119.09010	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	1182.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03857	0.3
91.05483	13.9
107.04982	0.4
109.02882	1.8
117.03387	0.4
119.04945	22.2
120.05239	0.5
123.04426	0.3
145.02870	0.5
147.04411	100.0
148.04747	3.0
167.07028	1.5
177.05479	2.1
186.03264	0.3
201.05501	1.7
213.05556	0.7
218.07079	0.4
229.08694	0.7
231.06328	0.6
235.07658	0.6
258.61685	0.3
264.07721	0.3
273.07434	1.7
275.35260	0.3
277.05115	0.3
290.05548	0.3
291.06296	0.3
303.06415	0.7
305.07907	0.3
320.06668	0.7
330.25714	0.4
333.40625	0.3
335.09125	1.3
337.10785	0.6
355.11649	0.7
367.11795	2.4
385.12775	0.5
419.11136	1.3
601.17346	0.8
630.96033	0.3
632.98999	0.4
728.98651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57652	3.5
65.03944	8.2
66.92118	3.8
67.05482	6.1
69.89111	15.7
69.89458	6.7
78.93108	6.0
91.05489	73.5
93.28919	4.3
95.99714	4.3
101.00848	19.6
102.37748	3.9
103.05485	7.1
119.01926	100.0
119.06068	10.2
119.08591	11.1
120.02022	9.6
120.04437	6.6
120.05613	25.4
120.08105	11.4
121.02342	4.1
121.04099	4.4
137.02986	40.5
138.03134	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.27670	0.9
65.03617	1.7
65.03946	25.8
66.04276	0.8
67.50768	0.8
69.14702	1.2
82.26370	0.9
88.59811	0.9
91.05486	100.0
92.05821	5.2
93.21216	0.8
98.22640	2.1
119.04947	31.6
119.08525	1.4
120.05452	1.4
130.03732	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02373	0.3
53.03947	0.7
55.37254	0.3
65.03944	22.1
66.04278	0.7
69.39507	0.6
69.39928	1.1
72.58068	0.3
74.06072	0.5
75.02387	0.4
79.05505	0.6
91.05485	100.0
92.04995	0.3
92.05195	0.3
92.05809	4.8
93.07053	0.4
95.04958	0.4
103.05476	1.5
103.32126	0.3
104.06254	0.9
104.37855	0.3
105.04526	0.4
111.04430	0.3
115.05506	0.5
117.07012	2.1
119.04949	28.5
119.05972	0.9
119.08582	5.5
120.04485	0.5
120.05379	1.5
120.08102	0.9
129.04486	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02399	0.6
53.03947	1.3
54.04284	1.1
65.03945	27.2
81.68659	0.5
91.05486	100.0
92.05811	4.9
95.04977	1.6
96.05296	2.2
98.22603	1.5
103.05460	1.7
105.04525	0.7
106.04858	1.5
108.03658	0.5
111.04405	0.7
119.04950	33.7
119.06800	3.3
120.05356	1.7
120.08102	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
54.04314	0.5
54.64407	0.5
56.05037	1.5
65.03942	24.4
66.04283	1.0
66.56751	0.5
67.45166	0.5
69.72668	2.2
71.32162	0.5
74.06097	1.7
77.03934	0.9
79.05506	2.7
90.01379	0.5
91.05484	100.0
92.05006	4.6
92.05806	4.1
93.07048	7.2
95.04978	2.6
95.17159	0.6
102.05550	0.7
103.05471	41.7
104.06268	2.2
105.04539	1.1
115.05494	0.6
117.07026	5.8
118.06574	0.6
119.04951	21.9
119.06014	1.6
119.06812	0.8
119.08590	18.2
120.04506	4.1
120.05547	2.2
120.08110	40.6
120.08764	1.6
128.15401	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02386	0.9
53.03947	2.5
56.05032	1.4
57.29161	0.5
62.33406	0.5
63.71232	0.5
65.03941	21.5
65.04288	1.2
66.04285	0.9
69.71931	2.0
74.06071	1.6
77.03886	0.5
78.58639	0.5
79.05496	2.7
91.05483	100.0
92.05013	4.7
92.05821	4.5
93.07050	8.6
95.04975	1.9
102.04734	0.7
103.05471	39.5
104.06297	2.6
105.04537	1.5
115.05463	1.6
117.07041	4.9
118.06534	1.2
119.04095	1.1
119.04949	21.9
119.06039	1.7
119.08580	19.5
120.04488	2.6
120.05535	1.6
120.08109	38.6
124.07816	0.6
129.21246	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
55.51766	0.5
55.87366	0.6
56.05035	0.7
56.71942	0.7
58.67746	0.6
63.02354	0.7
65.03614	1.3
65.03941	20.9
66.04270	0.8
70.32688	1.5
74.06081	0.9
90.57684	0.6
91.05485	100.0
92.05817	4.4
95.31905	0.6
103.05474	2.7
117.07059	1.1
118.04256	0.8
119.04091	1.5
119.04949	29.3
119.05936	1.5
119.06110	1.6
119.08569	2.9
120.04483	0.8
120.05386	1.3
120.08124	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03941	2.5
56.29552	0.5
65.03944	21.5
65.04289	1.1
66.93267	0.5
70.21976	1.7
74.06071	1.8
75.45313	0.5
76.68634	0.5
79.05505	1.5
91.05483	100.0
92.05013	6.0
92.05806	4.7
93.07040	9.0
95.04966	2.0
96.05312	0.6
102.04691	0.6
103.05470	45.6
104.06284	0.6
105.04546	1.2
117.07031	2.8
117.07764	0.5
118.06557	2.1
119.04950	26.0
119.06771	0.9
119.08579	7.7
120.04483	3.6
120.05303	1.5
120.08107	47.2
128.08502	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	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03954	1.8
54.04268	0.5
56.05018	0.4
65.03944	20.8
66.04276	0.4
70.40204	0.5
74.06082	1.2
79.05484	2.3
91.05485	100.0
92.04984	0.4
92.05276	0.5
92.05823	5.1
93.07045	2.4
95.04969	1.7
96.05347	0.6
102.04701	0.4
103.05470	9.0
104.06257	3.0
105.04523	1.0
115.05511	2.0
117.07029	9.7
118.07362	0.7
119.04952	24.4
119.06838	1.5
119.08584	21.5
120.04493	0.6
120.05389	2.1
120.08103	6.0
120.08926	1.7
129.04549	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02385	0.5
53.03954	1.8
54.04268	0.5
56.05018	0.4
65.03944	20.8
66.04276	0.4
70.40204	0.5
74.06082	1.2
79.05484	2.3
91.05485	100.0
92.04984	0.4
92.05276	0.5
92.05823	5.1
93.07045	2.4
95.04969	1.7
96.05347	0.6
102.04701	0.4
103.05470	9.0
104.06257	3.0
105.04523	1.0
115.05511	2.0
117.07029	9.7
118.07362	0.7
119.04952	24.4
119.06838	1.5
119.08584	21.5
120.04493	0.6
120.05389	2.1
120.08103	6.0
120.08926	1.7
129.04549	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.34756	2.8
53.03963	4.0
59.36199	3.2
65.03965	8.0
74.06088	4.3
76.26705	3.4
79.05498	5.7
82.32745	3.8
86.88117	3.5
91.05486	100.0
91.06005	5.7
92.05028	7.1
92.05840	4.3
93.07059	6.6
95.04981	4.5
98.14896	3.3
102.09200	5.3
102.15182	3.4
103.05476	18.2
104.06283	10.8
115.05482	7.9
117.07047	33.8
119.06081	17.7
119.08582	44.0
120.04513	9.6
120.05625	21.8
120.08127	12.7
120.08936	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03935	3.6
56.05025	2.0
65.03960	6.1
66.48511	0.9
69.83852	2.8
74.06082	3.6
75.21336	0.9
78.04696	1.5
79.05494	6.9
89.39040	0.9
91.05484	100.0
92.04996	2.5
92.05809	3.9
93.07041	8.0
95.04958	4.9
98.90711	1.0
102.09183	1.8
103.05474	28.8
104.06268	9.8
104.85777	0.9
105.04520	2.3
113.08410	0.9
115.05479	8.4
117.07016	40.3
118.07365	3.0
119.06110	6.9
119.08582	55.6
120.04473	3.8
120.05616	7.9
120.08125	20.0
120.08920	3.7
129.55217	1.0
131.06027	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
53.76533	0.6
54.04295	0.7
56.05040	0.9
56.28500	0.5
58.48190	0.7
65.03944	6.0
67.05508	0.9
74.06081	3.3
78.04707	1.7
79.05495	8.2
91.05482	100.0
92.05002	2.3
92.05816	4.3
93.07049	7.8
95.04964	4.3
102.04661	1.5
102.09197	0.9
103.04786	1.4
103.05467	21.4
104.06257	13.1
105.04507	2.3
109.06460	1.0
110.05997	1.1
115.05461	6.4
117.07021	29.7
118.06549	1.0
118.07316	1.6
119.06052	5.7
119.08579	77.6
120.04473	2.4
120.05595	3.6
120.08096	13.2
120.08912	5.3
131.15935	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03952	4.2
56.05039	0.9
57.85593	0.4
65.03941	9.4
74.06071	2.0
77.03934	0.7
78.04719	1.3
79.05495	8.3
80.33149	0.5
81.03436	0.8
91.05484	100.0
92.04998	6.1
92.05819	5.2
93.07046	10.9
95.04966	4.2
96.05299	0.8
102.04668	0.8
103.05471	44.1
104.06260	11.1
105.04533	2.5
105.07081	0.6
109.06510	1.2
110.06069	0.7
115.05461	5.8
117.07021	21.7
118.06565	1.0
118.07343	1.4
119.05049	2.6
119.06051	2.2
119.06839	2.0
119.08583	79.8
120.04502	4.1
120.05602	1.9
120.08120	34.5
120.08913	5.5
131.06010	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03950	2.7
55.54470	0.4
56.05035	0.5
59.89424	0.3
65.03943	8.6
74.06081	1.5
77.03919	0.3
78.04706	1.7
79.05064	0.7
79.05498	8.0
80.05806	0.4
81.03375	0.3
91.05484	100.0
92.04991	2.3
92.05809	4.5
93.07043	4.9
95.04963	4.2
96.05334	0.5
101.42645	0.3
102.04675	0.7
102.05623	0.3
103.05473	15.8
104.06265	10.9
105.04526	1.7
105.06540	0.4
106.04813	0.5
109.06501	0.7
113.15715	0.3
115.05452	6.5
117.07021	25.2
118.06640	0.3
118.07360	1.4
119.04980	3.8
119.06156	2.9
119.08583	75.8
120.04503	1.7
120.05628	2.4
120.08099	4.3
120.08932	4.5
121.06527	0.5
122.16135	0.3
125.34211	0.3
131.06067	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01606	0.4
51.02367	0.4
53.03949	4.1
54.04279	0.8
55.05498	0.4
65.03941	7.6
67.05515	0.7
71.28911	0.4
74.06081	1.2
78.04695	1.9
79.05495	9.5
80.05863	0.5
81.03423	0.8
91.05481	100.0
92.04474	0.7
92.05007	8.7
92.05816	3.7
93.07045	7.4
95.04975	3.8
96.05289	0.7
102.04666	0.7
103.05471	20.3
104.06250	14.9
105.04518	1.7
109.06511	0.7
111.43369	0.4
115.05448	7.1
117.07020	22.6
118.07337	1.0
119.04932	1.1
119.06200	2.7
119.08578	96.7
120.04466	4.9
120.05550	0.8
120.08096	8.1
120.08928	6.6
121.06477	0.5
131.06021	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.04280	0.9
57.20236	0.5
65.03940	4.7
67.05519	0.7
70.16933	0.5
71.29357	0.6
74.06068	1.0
77.03945	1.1
78.04704	1.9
79.05490	6.5
91.05482	100.0
92.04982	0.8
92.05818	5.4
93.07045	7.6
95.04974	3.6
96.05310	0.9
101.09416	0.5
102.04649	0.7
103.05476	20.2
104.06267	14.2
105.04530	2.0
106.73166	0.5
109.06487	1.6
115.05463	8.6
117.07023	39.2
118.07347	2.2
119.04961	1.0
119.06068	1.6
119.08581	75.0
120.04483	0.6
120.05605	1.5
120.08101	7.1
120.08929	3.9
121.06455	1.1
131.06053	0.7
138.35687	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.4
53.03946	2.8
54.04276	0.3
55.86848	0.3
55.89810	0.3
56.05033	0.4
65.03951	4.2
67.05516	0.8
71.28970	0.6
74.05717	0.3
74.06083	1.4
77.03939	0.5
78.04710	0.9
79.05498	7.7
80.05827	0.4
81.03425	0.4
84.54520	0.3
91.05483	100.0
92.04988	0.7
92.05819	4.6
93.07046	4.5
95.04969	2.7
96.05296	0.6
102.04656	0.6
102.09154	0.5
103.05472	10.0
104.05626	0.5
104.06262	10.2
105.04504	1.5
105.06586	0.7
108.43187	0.3
109.06515	1.0
115.05464	5.4
117.07021	24.9
118.07349	1.4
119.06053	1.9
119.08582	52.5
120.04471	1.3
120.05602	2.4
120.08094	3.0
120.08916	3.3
121.06533	0.5
128.38780	0.3
131.05978	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01600	0.6
51.02378	0.8
53.03949	5.0
56.05035	1.0
56.96627	0.5
65.03945	8.6
68.62747	0.6
69.24181	3.8
74.06071	2.5
77.03920	1.2
78.04702	1.1
79.05497	8.4
91.05485	100.0
92.05000	5.2
92.05811	4.5
93.07042	10.5
95.04974	3.7
98.22675	1.0
102.04720	0.7
103.05473	42.2
104.05624	0.7
104.06262	11.2
105.04507	2.5
109.06513	0.9
110.06048	0.6
115.05444	4.9
117.07022	22.4
118.07346	1.7
119.04940	1.7
119.06056	2.5
119.08585	78.8
120.04508	3.0
120.05582	2.0
120.08121	36.9
120.08920	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02373	0.9
53.03957	3.9
54.04293	1.3
56.05033	0.9
59.57233	0.4
65.03944	4.2
67.05492	0.5
69.76802	1.7
71.30779	0.4
74.06085	1.5
78.04715	1.4
79.05493	8.5
91.05483	100.0
92.04990	1.0
92.05822	5.2
93.07044	6.3
95.04962	3.1
96.05296	1.5
102.04686	0.7
103.05466	20.3
104.06263	9.0
105.04485	2.2
105.07042	1.2
106.04182	0.5
106.04850	1.0
109.06505	0.7
110.06041	0.6
115.05464	5.4
117.07018	22.1
118.06599	0.8
118.07380	1.4
119.06064	2.1
119.06872	3.0
119.08583	50.3
120.04467	1.1
120.05605	1.5
120.08101	13.6
120.08929	3.5
121.06404	0.4
131.06049	0.6
134.15820	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02393	0.5
53.03962	3.1
58.93674	0.6
65.03942	4.5
67.05513	1.0
71.30024	1.0
73.04391	0.6
78.04726	2.0
79.05508	7.3
86.80592	0.7
91.05492	100.0
92.04994	0.7
92.05822	4.2
93.07038	5.2
95.04989	4.8
96.05315	0.6
102.91855	0.6
103.05482	15.1
104.06264	13.5
105.04520	1.8
105.06550	0.7
109.06525	1.3
111.38960	0.6
115.05459	8.6
117.07032	36.3
118.07370	2.6
119.06100	2.8
119.08592	78.7
120.04559	1.0
120.05602	2.4
120.08103	2.3
120.08938	4.7
121.06529	0.6
131.06027	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01584	0.5
51.02375	0.6
53.03948	4.5
54.04275	0.7
55.60144	0.5
63.77333	0.6
65.03941	4.9
69.00500	0.5
70.26239	1.1
70.26618	1.1
74.06069	1.1
77.03944	0.8
78.04710	1.8
79.05496	7.0
89.59593	0.5
91.05484	100.0
92.05004	0.6
92.05817	5.4
93.07043	7.7
94.07363	0.8
95.04978	3.4
96.05302	0.8
103.05475	17.5
104.05613	1.1
104.06258	14.8
105.04527	1.7
106.04835	0.9
109.06528	1.4
115.05455	9.1
117.07021	41.9
118.07350	2.1
119.06186	2.6
119.08584	72.8
120.04482	1.5
120.05590	2.1
120.08092	2.5
120.08912	4.9
121.06523	0.6
123.11916	0.5
131.06029	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03950	4.4
65.03939	4.5
69.05286	4.6
74.94057	0.6
76.51445	0.6
78.04717	1.9
79.05495	9.4
80.05859	0.6
91.05486	100.0
92.05815	4.4
93.07063	6.8
95.04990	4.1
102.04755	0.8
102.09196	2.0
103.05473	14.2
104.06266	14.2
105.04540	2.8
109.06454	0.8
115.05473	8.3
117.07025	36.3
118.07359	2.5
119.06086	2.7
119.08585	87.0
120.05613	2.5
120.08118	1.3
120.08932	6.3
120.10257	1.9
121.06547	0.8
131.06073	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.46410	0.3
56.05037	0.7
57.15336	0.4
63.45037	0.4
64.65519	0.3
65.03949	4.9
69.59945	1.5
74.06075	0.8
77.03918	0.5
78.04718	1.2
79.05497	6.1
79.05927	0.8
83.74012	0.4
91.05486	100.0
92.04982	0.7
92.05270	0.6
92.05810	4.7
93.07055	6.8
95.04991	3.0
102.04646	0.7
102.83389	0.4
103.05474	15.8
104.06271	12.0
105.04520	1.7
105.06564	0.6
109.06506	1.5
109.07173	0.4
115.05459	7.7
116.05784	0.5
117.07028	46.1
118.07340	3.0
119.04970	1.1
119.06068	2.6
119.08588	60.8
120.04465	1.5
120.05575	2.4
120.08104	3.3
120.08925	4.0
121.06499	0.7
129.56764	0.4
131.06059	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03945	5.2
56.05035	1.5
57.03452	1.3
64.26085	1.2
65.03944	6.9
68.99426	1.1
70.55799	1.3
71.77497	1.4
74.06073	4.4
78.04707	1.1
79.05482	7.5
91.05484	100.0
91.17313	1.2
92.04991	2.6
92.05823	4.0
93.07047	10.7
95.04970	5.5
103.05470	30.4
104.06275	8.6
105.04489	2.6
115.05444	6.5
117.07019	35.4
118.07385	2.0
119.06097	7.2
119.08585	57.1
120.04462	5.4
120.05611	8.8
120.08113	22.0
120.08908	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.05505	0.8
65.03940	5.8
69.19859	4.1
70.07457	0.5
74.06090	0.6
75.70735	0.5
78.04710	1.2
79.05494	5.9
80.07264	0.5
91.05486	100.0
92.05016	1.7
92.05819	5.7
93.07050	7.3
95.04972	4.4
102.72308	0.5
103.05474	18.4
104.06276	12.8
105.04520	1.8
105.06587	0.8
109.06525	1.1
115.05453	8.6
117.07024	42.5
118.06583	1.0
118.07336	3.7
119.04953	1.1
119.06074	3.0
119.08585	60.0
120.04508	1.0
120.05597	2.5
120.08103	8.2
120.08926	3.6
121.06492	1.0
131.06012	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.4
51.02367	0.4
53.03949	4.1
54.04279	0.8
55.05498	0.4
65.03941	7.6
67.05515	0.7
71.28911	0.4
74.06081	1.2
78.04695	1.9
79.05495	9.5
80.05863	0.5
81.03423	0.8
91.05481	100.0
92.04474	0.7
92.05007	8.7
92.05816	3.7
93.07045	7.4
95.04975	3.8
96.05289	0.7
102.04666	0.7
103.05471	20.3
104.06250	14.9
105.04518	1.7
109.06511	0.7
111.43369	0.4
115.05448	7.1
117.07020	22.6
118.07337	1.0
119.04932	1.1
119.06200	2.7
119.08578	96.7
120.04466	4.9
120.05550	0.8
120.08096	8.1
120.08928	6.6
121.06477	0.5
131.06021	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03954	3.1
65.03952	4.4
69.22105	2.2
74.06095	0.4
75.68753	0.4
77.03926	0.8
78.04713	1.5
78.31461	0.4
79.05501	6.6
79.05924	0.7
80.05870	0.5
84.70071	0.5
91.05489	100.0
92.05813	4.3
93.07048	7.1
95.04978	4.0
102.04687	0.8
103.05483	16.1
104.06274	12.9
105.04515	1.7
105.06583	0.8
109.06558	1.1
115.05460	9.1
116.05708	0.5
117.07030	47.2
118.07357	3.5
119.06070	1.1
119.08589	66.4
120.05589	0.4
120.08092	1.2
120.08924	3.7
121.06536	0.8
131.06059	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.5
53.03953	17.3
55.01864	1.6
56.05032	0.6
65.03945	3.0
69.35733	0.5
72.09602	0.4
74.06085	1.2
77.03933	3.3
78.04731	0.6
79.05493	2.8
81.03435	2.0
86.45232	0.4
91.05488	58.7
92.04993	1.4
92.05802	1.2
93.07050	40.0
95.04974	21.9
98.23358	1.5
100.43121	0.4
102.04678	1.3
103.05475	100.0
104.05807	3.0
105.03431	4.1
105.04515	10.0
105.07055	2.4
110.06082	0.6
118.06561	1.3
119.07324	1.4
120.04486	1.7
120.05644	3.5
120.08115	61.5
121.02920	0.9
121.04028	1.5
121.06516	53.2
121.08354	3.7
121.10145	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03945	7.3
54.04301	0.5
54.38697	0.5
64.14021	0.4
65.03943	1.4
69.48218	2.6
71.73509	0.4
74.06081	0.8
77.03933	2.1
79.05503	1.6
80.05020	0.8
81.03426	1.2
91.05482	20.1
92.05001	1.1
92.05812	0.9
93.05790	0.7
93.07044	21.9
93.07632	1.1
94.06548	0.7
94.07381	0.6
95.04964	8.3
102.04667	1.4
103.05470	100.0
104.05798	5.3
105.03418	0.9
105.04513	4.5
118.06537	1.6
119.07304	1.9
120.08106	92.0
121.06507	10.8
121.08436	4.7
121.10082	0.5
135.35486	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02391	1.5
53.03952	11.8
55.01874	1.3
65.03949	1.1
74.06074	0.4
77.03934	3.4
78.84703	0.3
79.05508	1.2
80.05036	0.3
81.02982	0.3
81.03432	1.5
91.05486	32.3
92.05064	0.3
92.05767	0.3
93.07050	31.7
94.06638	0.4
94.07394	0.6
94.84930	0.3
95.04974	14.5
102.04704	1.2
103.05474	100.0
104.05800	3.6
105.04520	6.8
118.06543	1.1
119.07313	0.9
120.08110	62.1
121.02905	0.6
121.06512	31.8
121.08402	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.3
57.12837	1.0
65.03940	2.5
67.94452	0.9
70.31020	3.4
77.03934	2.5
79.05468	3.1
82.77434	1.0
91.05489	21.2
92.05019	1.2
92.05820	5.0
93.07051	24.9
95.04974	10.6
98.23299	1.3
103.05473	100.0
104.05791	4.8
105.04541	5.5
118.06573	2.0
118.07357	2.4
119.07408	1.8
120.05638	2.1
120.08113	86.6
120.08830	3.6
121.06522	12.3
121.08444	4.7
134.08804	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03951	11.9
55.01868	1.1
56.05037	0.7
58.81450	0.3
60.55537	0.3
65.03941	5.8
66.04299	0.6
66.70326	0.3
67.05491	0.5
69.61519	1.5
74.06094	1.8
77.03922	1.7
79.05498	3.5
80.04993	0.6
81.03419	1.3
87.86503	0.3
91.05484	31.4
92.05003	9.6
92.05814	4.0
93.07048	31.0
94.06570	0.5
94.07403	0.4
95.04974	12.9
97.41735	0.3
98.22645	0.5
102.04677	1.5
102.05579	0.4
103.05472	100.0
104.05807	3.8
105.04523	6.2
105.07037	1.9
110.06029	0.4
118.06529	1.5
119.07304	1.1
120.04499	4.6
120.05580	1.8
120.08110	65.6
121.02877	0.9
121.04016	0.7
121.06513	29.2
121.08413	4.2
121.10161	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.6
51.48342	0.6
53.03947	23.2
54.04279	1.0
55.01868	6.4
65.03942	90.5
66.04276	2.7
68.99796	0.7
69.29732	3.0
69.30138	1.3
77.03929	5.3
78.04719	1.3
79.05498	8.5
80.02646	1.0
80.05038	1.3
81.03416	3.1
81.04541	1.7
83.01328	0.8
91.05485	71.3
92.05824	5.4
93.03404	15.8
93.07047	61.9
94.04195	0.9
94.06575	2.2
94.07376	2.7
94.34898	0.6
95.04972	33.5
96.05314	1.6
98.03683	3.6
98.23338	1.5
102.04694	2.5
103.05472	100.0
104.05790	7.4
104.16898	0.6
105.04516	16.6
105.07034	39.0
107.07333	11.9
111.04442	11.1
112.04010	1.4
119.04919	0.8
119.08612	0.6
121.02865	97.8
121.03967	22.7
121.06509	85.5
121.08414	2.8
121.10135	2.6
122.03198	5.7
122.04297	1.0
122.06104	4.4
122.06872	4.5
122.09679	12.6
122.10450	0.5
123.08076	0.8
133.07573	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03949	7.7
55.01876	2.9
55.54278	0.4
62.65404	0.5
65.03943	97.6
66.04284	3.0
68.99816	0.6
69.03454	0.5
70.25175	1.0
77.03947	1.8
78.04697	0.6
79.01871	0.6
79.05494	5.5
80.02626	0.6
81.03410	0.7
91.05484	18.7
92.05846	1.0
93.02821	0.7
93.03413	14.0
93.07044	14.3
94.03738	0.5
95.04980	8.8
98.03676	3.5
98.23306	0.5
103.05470	20.5
104.05804	1.8
105.04517	4.2
105.07030	11.6
106.06583	0.7
107.07336	13.8
108.02135	0.7
111.04446	12.4
112.03979	0.9
112.04740	0.6
121.02870	100.0
121.03975	25.3
121.06507	16.7
121.07488	0.8
121.08395	0.5
121.10129	2.5
122.03206	5.6
122.04208	0.8
122.06017	2.2
122.06849	1.3
122.09665	15.2
123.08045	0.5
133.07611	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.00311	0.6
53.03955	9.0
54.82104	0.5
55.01883	2.7
60.96513	0.4
65.03947	98.2
66.04288	2.4
67.05515	0.9
68.99799	0.9
69.60145	2.2
70.90096	0.5
71.01353	0.5
71.55652	0.5
77.03937	1.6
77.23725	0.4
79.01836	0.5
79.05503	5.5
79.05928	0.8
80.02644	0.6
80.05019	0.4
80.66471	0.5
81.03422	0.8
91.05487	20.1
92.05818	0.5
93.03413	13.7
93.07050	17.9
93.07636	1.0
94.03719	0.5
94.07381	0.5
95.04980	9.6
98.03676	2.9
102.04681	0.6
103.05477	24.0
104.05799	1.0
105.04527	4.0
105.06375	0.8
105.07036	9.4
106.06570	0.6
107.07349	8.4
111.04450	12.3
112.03994	0.7
121.02867	100.0
121.03970	23.4
121.06505	19.7
121.08482	0.4
121.10131	3.1
122.03203	5.4
122.04347	0.7
122.06061	0.9
122.06872	1.2
122.09671	9.8
123.08043	0.5
133.07599	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	Unknow
Peak:m/z	Relative Intensity
50.01584	1.0
51.02377	4.3
53.03947	29.0
54.04292	0.5
55.01871	3.3
65.03946	2.7
65.32150	0.4
66.38709	0.4
70.61760	0.4
77.03923	7.2
78.04708	0.6
79.05485	0.8
79.42435	0.4
81.03411	3.9
84.05909	0.4
91.05482	74.6
92.05817	3.3
93.07043	57.5
94.04179	1.3
94.07369	2.4
95.04971	37.0
96.05283	1.2
102.04713	2.8
103.05468	100.0
104.05801	4.8
105.04515	16.7
106.04841	0.6
109.29099	0.5
119.04916	0.5
121.06506	85.3
122.06837	5.0
131.88623	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	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.1
51.02376	3.6
51.69837	0.5
53.03949	30.9
54.04288	1.1
55.01883	3.7
65.03947	1.4
69.87418	1.2
69.87785	1.3
77.03934	7.4
78.04692	0.7
81.03419	3.0
90.78359	0.6
91.05487	78.4
92.05827	2.5
93.07049	64.4
94.04180	1.1
94.07384	2.2
95.04976	36.1
96.05307	1.0
102.04698	2.2
103.05474	100.0
104.05812	5.6
105.04520	17.5
119.04949	0.6
121.06512	83.7
122.06095	0.9
122.06838	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01593	1.0
51.02367	0.7
53.00293	0.1
53.03947	15.2
54.04284	0.8
55.01873	3.1
56.99316	0.1
58.66383	0.1
62.91154	0.1
63.02350	0.1
65.00310	0.2
65.03936	1.9
67.05499	0.2
68.99796	0.3
69.57385	0.2
69.57782	0.3
77.03930	9.0
78.04256	0.3
78.04707	0.7
79.05496	0.8
79.58090	0.1
80.24773	0.1
81.03418	3.2
91.05482	73.1
92.05816	2.3
93.07042	55.3
94.04185	0.8
94.07375	2.1
95.04966	34.7
96.05297	0.9
102.04692	2.1
103.05467	100.0
104.05798	3.7
105.04510	15.9
106.04196	0.2
106.04858	0.4
109.59357	0.1
111.04399	0.2
114.51433	0.1
119.04947	0.3
121.06503	80.3
122.06841	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	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.2
51.02383	3.3
52.82202	0.5
53.03951	28.5
54.04288	1.4
55.01881	3.7
65.03944	2.5
70.67915	1.2
77.03934	8.0
79.05495	1.0
81.03413	3.3
91.05487	70.5
92.05817	2.9
93.07049	58.6
94.04195	0.7
94.06861	0.5
94.07343	2.7
95.04973	36.0
96.05288	1.4
102.04697	2.0
103.05475	100.0
104.05811	4.4
105.04522	15.0
106.04873	0.7
112.75621	0.5
121.06512	81.3
122.06826	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	3.5
53.03948	33.3
54.04300	1.1
55.01867	3.2
55.05511	6.4
60.06167	0.8
61.06871	0.9
65.03938	4.9
67.05502	3.2
70.31896	1.9
70.32265	1.2
77.03929	6.6
77.62369	0.9
78.04713	1.4
79.05495	55.1
79.48163	0.8
80.05016	2.3
80.05830	1.6
81.03414	4.1
81.07063	3.1
91.05484	81.9
92.05801	4.4
93.07047	100.0
94.02944	1.2
94.06563	2.7
94.07365	6.4
95.04969	37.6
96.05299	1.1
102.04686	1.7
103.05470	83.2
104.05772	6.0
105.04531	15.6
105.07032	92.8
106.04855	1.3
106.06686	1.4
106.07274	2.1
106.07940	4.6
107.07349	9.7
109.22289	0.8
110.06033	0.9
111.04426	0.9
112.03999	1.1
119.08589	13.5
120.05691	1.0
120.08922	0.8
121.02888	3.2
121.04093	2.0
121.06516	62.3
121.08385	2.2
121.10139	39.9
122.06031	6.8
122.06868	4.9
122.09682	15.4
122.10496	2.7
123.08063	7.6
133.07582	8.0
138.06743	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	2.6
53.03950	21.2
54.04280	1.3
55.01867	2.1
55.05518	5.0
65.03941	4.3
67.05515	1.8
69.19282	3.8
74.00358	0.5
77.03922	4.4
78.04678	0.7
79.05498	57.4
80.05022	1.5
80.05823	2.1
80.06252	0.9
81.03419	3.2
81.04522	0.6
81.07067	2.9
91.05488	61.8
91.60307	0.5
92.05801	3.4
93.03367	0.6
93.07048	72.4
94.06582	1.3
94.07378	4.6
95.04975	27.4
96.05315	1.7
102.04701	0.8
103.05476	59.0
104.05788	5.1
105.04534	15.0
105.07037	100.0
106.04868	0.8
106.07313	3.7
106.07831	5.8
107.07356	5.5
112.04003	0.9
119.04936	0.6
119.08588	12.6
120.05724	1.0
121.02871	1.9
121.04009	1.4
121.06519	42.9
121.10146	46.3
122.06021	2.6
122.06882	2.3
122.09671	7.7
122.10494	2.5
123.08072	9.7
133.07610	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01592	1.4
51.02382	3.7
53.03949	26.9
55.01863	3.3
55.05512	5.6
63.15128	0.8
65.03938	3.0
67.05497	1.4
68.66460	0.9
71.41031	1.0
77.03934	7.1
79.05495	41.0
79.38158	0.8
80.05037	1.5
80.05817	1.4
80.88331	0.8
81.03424	2.2
81.07055	3.1
91.05487	82.2
92.05815	4.6
93.07047	100.0
94.07389	5.6
95.04971	31.4
96.05314	1.4
98.23390	3.4
102.04675	1.5
103.05470	67.3
104.05794	9.0
105.04532	14.0
105.07032	49.9
106.07887	5.1
107.07343	13.6
119.08588	5.8
121.02886	1.0
121.03941	1.1
121.06509	51.9
121.08391	4.6
121.10143	29.2
122.06019	3.2
122.06869	3.0
122.09667	14.8
122.10471	1.9
123.08071	3.0
133.07626	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01592	0.8
51.02376	3.0
53.03949	15.1
53.31279	0.4
54.04263	1.0
55.01854	1.5
55.05510	2.4
56.24379	0.4
57.14677	0.4
63.53030	0.5
65.03945	2.6
67.05489	1.7
69.32035	3.0
77.03925	3.0
79.05495	46.5
80.05016	1.6
80.05824	1.7
80.06264	0.6
81.03413	1.7
81.07043	1.3
91.05483	42.9
92.05822	2.2
93.04552	0.6
93.07044	45.1
94.06561	1.1
94.07406	2.7
95.04970	20.6
96.05290	1.0
102.04680	0.9
102.30647	0.5
103.05470	51.7
104.05070	0.7
104.05804	3.1
105.04533	10.1
105.07032	100.0
106.07294	3.2
106.07819	6.2
107.07339	3.8
107.07987	0.7
112.03997	0.7
117.07001	0.5
119.08582	14.6
119.09451	0.8
120.05729	0.7
120.08953	0.8
121.02901	1.2
121.04037	1.1
121.06512	28.0
121.10142	42.4
122.06027	3.1
122.06874	1.4
122.09667	6.3
122.10498	2.8
123.08069	8.8
133.07603	8.3
134.07990	0.8
136.49455	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01597	1.1
51.02378	3.0
53.03950	28.7
54.04280	1.1
55.01880	3.2
55.05516	4.5
63.18225	0.5
64.17471	0.5
65.03945	2.8
66.08755	0.5
67.05502	1.4
71.10462	0.8
72.70531	0.4
77.03925	5.8
78.04725	0.8
79.05495	37.0
80.05022	0.6
80.05827	1.6
80.06261	0.7
81.03417	3.6
81.07052	1.6
83.14962	0.5
91.05483	88.8
92.05819	4.3
93.07046	92.4
94.06570	0.7
94.06829	0.6
94.07385	4.7
95.04971	36.8
96.05330	1.0
99.24695	0.5
102.04704	1.9
103.05472	100.0
104.05794	6.1
105.04522	17.3
105.07034	66.2
106.04855	0.6
106.06599	0.9
106.07257	1.4
106.07929	4.5
107.07339	11.5
111.06905	0.5
112.03956	0.7
119.08583	9.2
121.02863	1.5
121.06510	69.0
121.10143	25.9
122.06031	2.5
122.06865	5.3
122.09675	12.6
122.10496	2.1
123.08079	4.8
133.07643	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01599	1.4
51.02382	3.5
53.03949	26.6
54.04276	1.4
55.01870	3.6
55.05515	4.1
65.03943	3.8
67.05518	1.2
71.29604	0.8
77.03929	6.5
78.04685	0.7
79.05495	48.7
80.05022	0.7
80.05831	1.8
81.03432	3.5
81.07075	1.8
82.03789	0.5
84.46192	0.5
91.05485	85.7
92.05815	4.5
93.07045	95.7
93.14819	0.5
94.04173	0.8
94.06556	1.0
94.07379	4.5
95.04971	41.6
96.05332	1.3
102.04687	2.1
103.05470	100.0
104.05782	5.6
105.04526	18.5
105.07032	90.5
106.04863	1.1
106.06705	1.1
106.07298	2.3
106.07942	5.2
107.07348	6.0
112.03987	0.9
114.10363	0.6
119.08585	13.5
120.05756	0.8
120.08936	0.6
121.02886	1.6
121.04086	1.1
121.06509	75.1
121.10143	39.2
122.06007	2.7
122.06854	3.8
122.09673	7.4
122.10503	2.2
123.08068	7.5
133.07619	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.2
51.02375	3.5
53.03949	25.8
54.04295	1.1
55.01876	14.4
55.05512	6.8
65.03941	68.4
65.21506	1.0
66.04272	2.4
67.05504	27.4
68.05830	1.3
71.28775	1.2
77.03938	4.7
78.04704	1.9
79.05492	65.3
80.02632	1.0
80.05020	1.2
80.05826	2.1
80.06261	0.9
81.03429	4.5
81.07037	1.2
84.20910	0.9
91.05480	89.4
91.18703	0.9
92.05798	5.8
93.03411	10.6
93.07042	100.0
94.06569	2.4
94.07349	4.3
95.04969	31.3
95.40197	0.9
96.05326	1.6
98.03655	1.8
103.05467	63.5
104.05141	1.1
104.05775	6.1
105.04517	15.3
105.07029	39.3
106.06545	2.3
106.07858	1.0
107.07337	41.1
109.06544	1.4
111.04448	7.4
119.06025	1.1
119.08560	3.0
120.05717	0.8
121.02869	68.7
121.03981	16.8
121.06506	73.2
121.08422	2.8
121.10139	22.6
122.03217	3.7
122.06011	4.3
122.06867	4.1
122.09668	42.6
122.10462	2.2
123.08060	1.7
133.07649	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01588	0.6
51.02379	2.4
53.03949	23.9
55.01871	2.0
55.05277	0.7
55.05518	8.5
65.03940	2.3
67.05506	2.1
70.11216	0.5
70.42488	1.2
74.65780	0.4
77.03932	4.1
78.04700	0.5
79.05499	48.8
80.05019	0.8
80.05826	2.3
80.06274	1.0
81.03415	2.6
81.07069	4.1
91.05487	69.9
92.05803	3.2
93.07050	100.0
94.04170	0.7
94.06565	0.7
94.06832	0.7
94.07375	5.4
95.04971	26.5
96.05292	1.2
98.73257	0.5
102.04662	1.0
103.05476	44.6
104.05112	0.6
104.05769	2.6
105.04530	13.8
105.07036	47.8
106.06743	0.5
106.07248	1.1
106.07916	4.5
107.07349	2.6
112.03989	1.1
118.06469	0.6
119.08584	9.4
120.08955	0.7
121.02869	1.1
121.04008	0.9
121.06519	29.0
121.10149	25.4
122.06020	2.0
122.06882	1.7
122.09675	6.7
122.10489	1.7
123.08077	3.3
123.08827	0.5
133.07626	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01595	1.3
51.02377	3.2
53.03949	28.4
55.01883	3.8
55.05501	1.5
58.01977	0.6
65.03945	4.1
67.05518	0.7
69.32929	3.8
72.44762	0.7
77.03926	5.0
79.05492	38.3
80.05019	1.7
80.05828	2.2
81.03438	4.0
81.03835	0.9
81.07068	1.3
91.05482	81.4
92.05790	4.2
93.07044	71.3
94.06548	1.3
94.07372	3.3
95.04968	40.2
96.05370	1.3
102.04684	1.2
103.05469	100.0
104.05153	1.0
104.05791	6.0
105.04525	17.0
105.07030	92.7
106.04855	0.9
106.06699	1.0
106.07292	2.4
106.07813	4.6
107.05042	0.7
107.07356	6.6
112.03968	1.8
119.07767	1.2
119.08588	13.4
120.05725	0.9
120.08939	1.0
121.02914	3.2
121.06506	78.1
121.10145	43.2
122.06017	4.7
122.06870	5.0
122.09686	8.2
122.10474	1.8
123.07290	0.9
123.08079	8.2
133.07626	6.2
138.06743	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	122.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02376	0.7
53.03932	1.2
54.04280	1.3
55.01869	1.7
55.05488	0.5
57.59351	0.4
64.57944	0.4
65.03941	14.3
66.04722	75.9
67.05052	2.5
67.05499	1.4
69.03110	2.8
69.03505	0.9
79.01878	0.5
79.05503	1.6
80.05009	4.1
80.05757	0.5
81.07066	4.3
91.05470	0.7
92.05804	3.1
93.03402	2.4
93.05784	1.0
93.07019	1.0
94.04186	100.0
94.06555	2.0
94.07368	2.5
95.04512	4.0
95.04976	0.9
95.06007	0.4
95.08595	1.0
96.04457	1.2
96.05297	1.0
100.02484	0.5
103.05471	0.8
104.05154	0.8
104.05798	4.3
105.07024	8.8
106.04869	0.9
106.07351	0.8
107.07336	5.8
111.05569	0.9
112.03956	1.3
122.03649	8.1
122.06004	4.2
122.06854	4.6
122.09672	9.8
123.04317	0.5
123.04647	0.7
123.05550	6.8
123.08041	1.4
123.09159	1.2
123.11700	0.9
139.05019	0.6
143.32091	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	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01584	0.5
51.02377	1.5
53.03951	9.7
54.04291	0.4
55.01871	0.8
67.05501	3.3
67.72105	0.4
68.05024	0.7
69.04549	0.5
69.28235	2.4
77.03931	2.9
78.03457	0.8
79.05497	100.0
80.05032	3.4
80.05826	4.7
80.49909	0.4
81.03410	1.2
81.07065	5.3
95.04974	12.8
95.08609	1.7
96.04503	5.0
96.05585	0.5
96.08170	0.5
100.02499	0.8
101.00893	3.8
105.03403	20.9
105.04491	5.4
105.26534	0.4
106.03719	0.7
106.07379	1.0
108.05756	1.0
108.06985	0.6
108.07686	1.6
111.05584	1.0
112.03969	6.8
119.01928	15.8
119.02795	0.8
123.04443	15.7
123.05557	6.3
123.06345	0.4
123.08098	2.6
123.09196	1.3
123.09946	2.1
123.11701	0.9
124.03963	12.0
124.04927	1.2
124.07581	1.0
137.02956	6.8
140.03433	3.0
142.03537	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	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01599	1.2
51.02380	5.9
53.03715	0.7
53.03947	7.9
55.01867	1.3
55.72580	0.4
65.03932	0.9
67.05512	8.4
69.16440	2.5
69.16846	0.9
77.03931	16.0
78.04242	0.6
79.05457	0.4
81.03431	1.0
81.07066	2.1
84.59249	0.4
95.04974	13.5
96.05286	0.5
98.22620	0.9
105.03392	14.8
105.04474	4.2
106.03694	0.7
119.01920	0.6
123.04430	100.0
123.11671	0.7
124.03948	1.4
124.04769	3.6
140.03430	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	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01599	1.3
51.02382	5.7
53.00304	0.5
53.03716	0.6
53.03949	7.3
55.01866	1.9
55.05506	2.5
55.31788	0.4
57.07067	1.9
65.03944	2.2
67.05508	15.6
68.05024	1.3
69.07058	1.0
71.28939	0.5
75.10030	0.5
77.03935	12.3
78.03465	0.5
78.04250	0.6
79.05492	7.8
80.05022	8.6
81.03406	1.7
81.07059	37.1
82.07383	1.1
82.99836	0.7
91.05480	0.5
93.07081	0.9
95.04978	12.4
95.06047	0.7
95.08603	6.1
96.04491	8.6
99.70581	0.6
100.02507	0.8
101.00886	5.2
105.03397	14.7
105.04495	5.1
105.06157	0.5
105.07035	1.0
106.02976	0.7
106.03703	0.8
108.05764	1.2
108.06886	0.7
108.07669	0.6
109.05312	0.5
111.05564	0.7
112.03965	12.4
119.01926	34.9
121.10190	0.5
123.04438	100.0
123.05524	14.2
123.08070	4.8
123.09180	2.2
123.10030	1.3
123.11712	7.8
124.03963	21.4
124.04784	4.6
124.05678	0.7
124.07591	3.0
137.02959	17.8
140.03432	5.5
142.03467	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02384	1.4
53.03947	8.4
55.01866	3.8
55.05513	26.1
57.07066	3.4
65.03939	5.4
67.05508	100.0
68.05025	2.4
68.05835	5.1
69.03423	2.8
69.07059	1.8
69.44855	5.7
77.03924	4.4
78.03440	1.5
79.05494	31.0
80.05025	14.2
80.05796	2.1
80.06265	3.3
81.03422	2.3
81.05791	1.8
81.07059	60.1
82.06584	1.1
82.07380	3.0
91.05475	4.8
93.07052	18.6
95.04979	16.8
95.06092	1.2
95.08611	90.9
96.04494	11.6
96.05165	1.4
96.08147	2.5
96.08942	5.8
98.23420	1.8
101.00871	3.9
103.05517	1.5
104.05772	1.2
105.03394	4.9
105.04514	3.2
105.07024	12.1
106.07340	2.8
107.04977	4.8
108.05746	28.0
108.07683	3.5
108.09453	1.1
109.06099	1.3
112.03976	15.8
116.06408	1.0
119.01933	19.6
121.06503	2.9
123.04443	27.2
123.05553	22.5
123.07201	1.8
123.08073	56.0
123.09079	2.5
123.10019	4.3
123.11704	10.4
124.03963	27.7
124.04783	1.9
124.07587	3.5
124.08429	3.6
137.02942	8.4
140.03407	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.00309	0.6
53.03953	2.7
55.01859	0.5
55.05515	4.3
57.07083	5.3
65.03934	1.0
67.05510	16.7
68.05859	0.6
69.07073	3.4
70.43689	1.0
78.03445	0.7
79.05500	18.9
80.05020	5.1
81.07063	100.0
82.07394	4.3
91.05495	0.7
93.07040	3.0
94.02928	0.5
94.07861	0.9
95.04440	0.5
95.04988	2.3
95.08614	16.8
96.04527	3.0
96.08942	0.7
101.00889	1.2
105.04543	0.5
105.07018	0.8
106.07388	0.8
108.05783	0.7
108.07671	1.0
108.09382	1.2
110.53113	0.5
112.03975	5.3
119.01925	4.3
121.10152	1.6
123.04446	1.6
123.05562	8.1
123.08076	4.4
123.09096	0.6
123.10048	1.2
123.11720	20.1
124.03963	9.8
124.04816	0.8
124.07562	0.8
124.12048	1.6
137.02963	1.4
140.03426	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03947	3.6
55.05506	5.1
57.07077	4.9
61.63810	0.4
65.03937	1.4
66.92033	0.4
67.05506	14.6
68.05033	0.7
69.07071	3.4
77.03927	1.1
78.03441	0.6
79.05494	15.5
80.05014	4.8
80.05794	1.0
81.03399	0.5
81.07056	100.0
82.07398	3.9
93.07063	2.5
94.07841	1.2
95.04975	7.7
95.06080	0.6
95.08607	15.1
96.04501	4.0
96.08142	0.4
96.08915	0.7
101.00861	4.0
103.02510	0.4
105.03400	1.4
105.04511	1.0
105.07025	1.1
105.46700	0.5
108.05802	0.6
108.09367	0.9
112.03959	7.1
119.01922	19.5
121.10115	1.0
123.04427	7.6
123.05550	8.5
123.06400	0.5
123.08094	2.2
123.09173	1.0
123.11710	20.6
124.03955	12.0
124.04776	0.7
124.07597	1.2
124.12024	1.4
137.02946	8.4
140.03427	3.3
142.03506	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
52.22102	0.2
53.03954	1.1
54.04289	1.5
55.01881	0.4
55.04601	0.2
56.05044	0.6
60.00657	0.2
65.03957	0.2
66.03448	0.2
66.04291	0.2
67.05508	0.4
68.05042	1.0
68.05847	0.7
69.03436	0.5
71.43061	0.2
77.03951	0.4
78.03465	2.1
78.04270	1.1
78.04720	0.6
79.01860	1.0
79.03796	0.4
79.05508	0.5
80.05018	12.9
81.05351	2.9
81.05796	0.4
81.07066	0.2
81.42767	0.2
82.05317	0.2
82.99828	1.5
83.06123	0.5
88.06391	0.2
91.05490	0.4
92.05821	2.5
93.06149	0.5
93.07052	0.4
94.02925	0.4
94.06467	0.8
94.07361	2.0
95.04979	0.8
95.07756	0.4
96.04504	10.4
96.05299	1.8
96.08086	1.2
97.02895	2.3
97.04218	0.2
97.04842	1.3
97.05608	0.2
97.07664	0.2
98.05978	0.3
100.02492	0.4
101.00883	21.3
102.00946	1.4
102.02240	0.2
104.05803	4.4
105.04493	0.3
106.02995	0.4
106.03745	1.4
106.04890	0.7
106.06478	1.7
107.01311	2.0
107.06099	0.7
109.05291	0.4
112.03965	4.8
118.03520	0.3
119.01923	100.0
120.02001	8.0
120.03219	0.2
121.02370	0.5
124.03961	54.7
124.04780	7.8
124.05825	6.8
124.07460	5.2
125.02382	1.1
125.04264	1.9
125.06142	0.3
125.07020	0.8
137.02957	40.5
138.03064	3.4
140.03438	2.1
142.03499	4.4
143.03659	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93695	0.2
58.99860	0.2
60.00645	0.2
69.51146	0.7
77.44015	0.2
82.99847	3.0
83.65515	0.2
83.99923	0.2
93.88483	0.2
98.23335	0.3
100.02482	0.6
101.00889	35.4
102.00954	2.6
118.03557	0.2
119.01928	100.0
119.20611	0.2
120.02007	7.2
121.02366	0.6
124.02465	0.5
137.02963	25.5
138.03046	2.1
142.03511	4.2
143.03648	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	124.0396
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
50.98076	0.2
51.02376	0.2
53.03950	1.0
55.01865	0.2
58.79866	0.2
62.81615	0.2
68.05042	1.3
69.03436	0.4
71.27952	0.3
78.03458	4.4
79.01839	0.3
79.05489	0.6
80.05021	23.6
81.05357	1.1
82.06583	0.2
82.99859	0.6
83.04968	0.2
88.36929	0.2
96.04498	18.2
96.05260	1.1
96.08105	0.6
97.02892	3.0
97.04836	0.9
101.00883	6.5
102.00962	0.5
106.02928	0.2
107.01329	0.4
112.03974	3.5
119.01927	29.1
120.02017	2.3
122.02422	0.3
124.03959	100.0
124.07510	1.5
125.02380	0.6
125.03454	0.3
125.04300	4.1
125.06081	0.2
125.07166	0.3
137.02962	11.2
138.03073	0.8
140.03436	2.3
142.03482	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	125.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88183	0.3
51.02381	1.0
53.03933	0.9
55.01871	0.8
55.05506	1.8
56.05047	0.8
56.96575	0.4
61.52539	0.4
65.03942	100.0
66.04275	3.6
67.05495	0.7
69.03432	1.7
69.04536	0.5
69.07082	0.6
69.12350	1.6
69.12757	1.1
70.06589	1.3
71.01368	0.8
79.01854	3.2
79.05499	2.7
80.05019	4.8
81.03410	1.4
81.07040	0.9
82.04192	0.7
83.04980	1.6
84.04493	0.8
84.08138	0.7
84.96033	1.1
87.06850	0.4
91.05521	0.4
92.02622	0.4
93.03408	18.6
94.03747	1.1
95.04959	0.7
95.69971	0.3
96.04472	0.5
96.06898	0.9
97.02888	5.6
97.06525	1.4
97.07600	0.3
98.06059	1.5
102.00990	1.4
103.00644	1.0
105.07017	0.4
107.01325	1.7
107.06101	0.8
107.08611	0.9
108.04481	13.1
110.03662	15.1
110.25629	0.4
111.04447	58.0
112.04809	2.1
113.04317	0.5
119.01930	1.3
120.02008	6.8
121.01662	5.0
121.02428	0.5
125.02375	2.4
125.04313	1.4
125.05994	10.5
125.07088	2.2
125.09637	1.9
125.10693	0.8
126.05517	13.3
126.06365	0.7
126.09113	0.8
134.05994	0.5
137.02966	0.5
138.03059	3.3
139.02654	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	125.06
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
51.02376	2.2
53.00292	1.5
53.03717	1.7
53.03952	21.8
54.70242	1.0
55.01877	13.4
55.05275	1.6
55.05515	19.7
56.05036	1.7
57.03432	3.8
65.03938	2.7
67.05510	11.2
68.05017	1.4
68.99801	2.0
69.03429	10.1
69.07071	24.3
70.06614	1.8
77.03938	2.0
79.01853	1.9
79.05499	83.9
80.05022	15.2
80.05837	3.7
81.03425	22.1
81.07067	8.7
82.04201	1.0
83.04987	100.0
84.04538	1.6
84.05323	2.0
84.08148	2.5
84.96057	1.5
91.05499	7.1
95.04969	16.1
95.08658	1.2
96.04491	1.7
96.06881	2.1
97.02909	6.2
97.06539	80.8
98.06050	2.6
98.06892	3.0
102.01023	1.2
105.04539	6.7
105.07022	3.0
107.04955	4.8
107.06084	3.7
107.08601	12.3
108.04488	60.9
108.15907	1.0
109.06538	1.1
109.07681	1.9
113.04314	2.5
115.54031	1.3
119.06048	1.3
120.01993	6.8
121.01691	3.4
125.02377	2.2
125.04293	4.4
125.06005	65.2
125.07089	6.8
125.09635	17.1
126.05524	78.0
126.06281	3.7
138.03084	2.9
139.02791	2.6
141.03772	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03943	3.0
55.01859	3.4
55.05512	35.3
57.07073	9.0
60.38109	1.2
64.10679	1.2
65.03944	1.6
67.05495	5.7
69.03435	15.4
69.07071	100.0
69.36963	6.9
70.06596	2.0
70.07405	3.1
79.05490	16.1
80.05024	9.0
81.03421	1.7
81.07058	5.9
83.04977	10.5
83.08612	15.6
84.96061	2.2
91.05489	11.9
96.06882	1.5
97.02905	1.7
97.06543	3.4
98.06068	2.1
98.23311	2.7
105.07035	4.1
107.06086	3.1
107.08607	20.9
108.04479	32.5
109.06502	2.5
110.07300	2.7
120.02016	4.3
121.01684	2.8
125.04260	2.1
125.05944	1.8
125.07110	3.7
125.09637	56.1
126.05513	29.6
126.09946	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03942	8.0
55.01866	7.9
55.05517	30.2
55.78270	2.0
63.76985	2.0
65.03945	5.0
67.05499	3.1
68.01390	2.2
69.03431	22.0
69.07072	5.1
69.30013	6.8
69.30418	3.4
70.06586	4.9
79.05499	25.9
80.05027	21.3
81.03419	5.8
81.07053	14.6
83.04986	56.0
83.08627	3.5
83.15884	2.0
84.04494	2.8
84.08156	3.2
84.96031	9.1
91.05485	21.4
95.04970	2.1
95.08591	3.0
96.06876	3.6
97.02898	4.0
97.03988	1.7
97.06540	7.4
97.10125	2.3
98.06064	4.9
101.00852	2.3
103.00625	2.9
105.07030	10.3
107.06099	5.7
107.08601	41.2
108.04485	76.2
109.06483	3.3
111.02150	2.4
113.04318	4.1
119.01943	6.2
119.06059	5.4
120.02025	36.3
121.01688	22.1
125.02415	3.5
125.03413	2.1
125.04310	7.0
125.06090	4.7
125.07113	14.1
125.09632	45.1
126.05522	100.0
126.09135	4.1
126.10003	3.7
137.02922	4.3
138.03078	21.1
139.02678	11.0
141.03696	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	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
54.30223	0.5
55.01868	1.2
55.05517	37.6
56.04787	0.9
56.05039	7.3
56.05834	0.7
57.03428	2.3
57.05822	0.5
57.07075	0.6
58.06602	1.1
59.83003	0.5
65.03935	0.7
67.05499	2.2
69.03433	7.3
69.05824	0.9
69.07038	0.6
70.02953	0.9
70.06596	8.5
71.04990	1.0
72.08144	0.6
79.05499	17.6
80.05020	6.0
80.05804	0.8
81.03407	3.4
81.07062	50.9
82.06584	0.9
82.07382	2.4
83.04950	0.7
83.07355	1.1
83.08624	12.3
84.04523	2.5
84.08153	4.4
91.05479	4.4
93.05782	6.1
94.04178	0.6
96.04508	7.5
97.05282	29.8
98.06070	19.5
98.09698	13.2
98.22564	1.5
99.06338	0.5
99.10016	1.3
108.04484	22.7
108.08123	23.2
109.02879	1.9
109.04881	1.2
109.06524	34.2
109.08464	0.8
109.10178	0.7
110.06841	1.8
111.06839	2.2
121.01656	1.2
126.05530	20.4
126.09158	100.0
127.03909	4.5
127.05857	0.6
127.09511	4.7
139.02740	0.7
142.06102	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	127.0392
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
51.02373	0.9
53.03716	0.8
53.03951	11.1
55.01877	6.6
55.05514	2.7
56.05034	0.8
57.03434	1.3
61.39058	0.5
65.03931	1.0
65.51334	0.5
67.01867	0.9
67.04247	1.1
67.05496	0.9
68.05021	0.6
69.03436	21.5
69.15662	3.3
71.01349	1.1
71.05006	4.4
79.05492	0.9
80.05021	1.0
81.03422	37.2
81.07054	1.9
82.02944	0.5
82.03755	1.2
82.06581	15.7
82.61233	0.6
83.01321	1.4
83.05006	0.6
84.04513	2.5
85.02885	1.7
85.06540	0.6
86.06078	1.0
97.02897	2.9
99.04458	5.0
100.07613	2.8
104.01981	0.5
109.02886	41.9
109.04833	2.1
110.02417	2.3
110.03187	1.1
110.06080	2.6
121.01678	1.1
126.22492	0.5
127.03922	100.0
127.05882	2.2
128.03435	2.6
128.04276	3.7
128.07089	10.1
128.10750	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	127.0392
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
51.02383	1.0
53.00332	0.5
53.03948	14.0
54.03470	0.5
54.16912	0.5
55.01879	6.2
55.05507	2.3
56.05040	1.3
65.03959	1.3
67.01841	0.5
67.04249	1.6
67.05509	0.8
67.93579	0.7
68.05044	3.7
69.03431	18.1
69.04541	0.7
69.08614	3.9
71.01351	1.2
71.05005	2.5
72.04547	0.6
79.01831	0.5
79.05501	1.0
80.05025	2.0
81.03421	85.6
81.07039	1.4
82.02950	0.7
82.03745	3.3
82.06580	18.9
83.01310	0.9
83.04985	0.8
83.06107	2.2
84.02154	0.5
84.04489	0.7
84.08143	1.6
85.02897	2.0
85.07668	6.8
86.00948	1.0
86.06068	25.3
95.01345	0.9
97.02901	2.2
99.04479	3.0
99.06358	0.5
100.07631	3.3
103.00668	0.9
104.00922	0.8
104.01978	2.1
107.01313	1.0
109.02882	100.0
109.04823	4.1
109.07639	1.0
109.10175	0.5
110.03203	5.5
110.06058	1.5
110.07191	2.4
111.05583	2.9
114.05499	0.6
119.01923	5.7
121.01657	4.8
121.09112	0.5
121.99348	0.6
122.02034	3.6
122.03035	1.0
127.03922	46.0
127.04925	1.8
127.05835	4.3
127.07284	1.7
127.08678	0.9
127.09787	1.7
128.03433	5.2
128.04280	1.7
128.07082	10.5
128.08206	9.4
137.02968	2.5
139.02684	3.0
140.03078	1.9
146.03000	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	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03951	7.0
55.01864	0.6
55.05510	7.1
55.47795	0.6
57.03448	4.2
57.07083	0.8
58.87499	0.6
59.04998	5.4
65.03940	1.1
66.04743	0.7
67.05504	2.2
68.99337	0.6
69.03427	3.9
71.01300	0.5
71.04999	21.7
72.05304	0.8
76.03267	0.6
79.05500	34.9
80.05834	1.5
81.03434	6.9
81.07062	100.0
81.46170	0.6
82.06598	3.9
82.07403	2.9
85.02902	2.1
85.06554	7.8
97.02892	1.2
98.22618	1.3
99.04466	1.3
99.08095	1.8
109.02884	5.6
109.04883	0.8
109.06526	27.2
110.06860	1.9
127.03929	6.2
127.07559	12.1
128.07082	2.3
142.16003	0.7
147.67383	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	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03714	0.7
53.03953	9.3
54.03464	0.7
54.04280	0.7
55.01874	1.8
55.05513	6.1
56.05032	0.5
57.03436	2.5
58.06608	0.6
59.05001	1.7
65.03958	2.3
66.04715	0.8
66.06347	0.4
67.04244	2.0
67.05510	2.5
67.27465	0.4
68.05045	0.8
68.75707	0.5
69.03438	4.4
69.90008	1.8
70.47804	0.4
71.04995	3.6
79.05499	38.5
80.05039	2.2
80.05843	1.0
81.03426	50.0
81.07062	100.0
82.03762	1.7
82.06586	17.3
82.07354	4.4
83.04996	2.2
84.08169	0.6
85.02921	0.8
85.06556	9.3
85.07659	0.7
86.06059	1.4
86.09718	0.9
92.76466	0.5
97.02897	3.7
98.06064	0.5
99.04449	1.9
99.08114	0.7
100.07625	2.4
107.01312	0.7
109.02888	56.7
109.04866	2.8
109.06525	34.6
110.02538	0.5
110.03210	2.5
110.06046	2.1
110.06864	2.4
112.01551	0.6
121.18857	0.5
124.60294	0.4
127.03928	27.9
127.04895	1.1
127.05904	2.5
127.07554	10.7
128.03438	1.8
128.04236	1.0
128.06250	0.7
128.07077	11.0
128.07939	0.6
128.10744	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	127.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01864	1.1
55.05273	0.4
55.05512	3.8
57.03440	3.4
57.07081	1.0
59.05013	1.6
60.51186	0.4
65.03951	1.9
66.04719	0.7
67.04253	0.6
67.05505	3.2
69.03437	3.9
69.07057	0.3
70.92925	0.5
71.01341	0.4
71.04992	3.1
72.08151	0.9
79.05498	42.0
80.05833	1.3
81.03427	12.4
81.07060	100.0
82.03757	0.4
82.06591	4.7
82.07387	4.8
83.01374	0.4
83.04985	1.7
85.02899	0.4
85.06548	12.2
95.04966	0.7
97.02893	1.2
99.04478	0.5
99.08044	0.7
100.07629	0.7
109.02124	0.5
109.02883	12.1
109.04881	1.3
109.06520	38.3
110.03239	0.7
110.06139	0.7
110.06878	2.1
127.03920	10.1
127.05877	1.1
127.07553	10.2
128.03436	0.7
128.07079	3.5
128.07933	0.5
128.14357	0.4
130.14851	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	127.112
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03944	20.0
55.01865	5.7
55.05513	25.5
57.03444	38.3
65.03963	10.3
67.04255	7.4
67.05502	52.3
68.05030	4.4
69.03434	21.4
69.07074	12.7
69.21285	29.6
71.04997	72.2
73.56720	4.4
79.05494	5.8
79.48479	5.1
80.57838	4.5
81.03426	36.3
81.07056	23.9
82.06587	76.0
83.05025	5.6
83.08646	5.9
84.04507	5.7
85.06511	4.9
85.65772	5.1
86.06108	5.9
90.42733	4.5
93.71301	4.8
96.70717	4.2
97.02895	10.2
97.18252	4.5
98.23331	6.8
99.04395	4.9
100.07623	13.8
109.02888	31.5
109.04831	8.9
109.06491	6.7
109.10184	15.1
110.06045	9.5
110.42252	4.9
127.03925	100.0
127.04903	6.2
127.05860	12.4
127.07485	12.0
127.11195	19.5
128.03459	13.8
128.06223	17.6
128.07095	49.5
128.10719	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	127.112
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03948	14.4
55.01859	6.9
55.05514	15.6
58.06587	5.2
65.03973	4.7
67.04260	8.8
67.05515	15.5
69.03446	10.6
69.07072	19.3
69.07457	31.0
69.17032	4.2
69.64188	4.1
71.04996	41.6
72.04506	3.8
79.05515	8.0
80.05004	10.0
81.03414	30.6
81.05370	4.7
81.07072	18.9
82.06583	100.0
83.04972	5.5
83.08649	3.9
85.05196	6.1
86.06057	5.5
96.63802	3.8
97.02914	11.2
98.98452	6.5
100.07630	18.8
109.02904	20.3
109.04807	26.8
109.10158	22.1
110.06074	10.0
118.23285	4.6
127.03051	8.0
127.03918	72.3
127.05882	23.7
127.07256	9.3
127.11192	13.9
128.03470	19.6
128.06216	22.2
128.07104	57.7
128.10725	5.3
128.14417	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	127.112
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03939	7.8
55.05506	7.0
57.03443	3.2
57.46116	2.0
65.03980	3.3
67.05505	66.4
68.05846	4.2
69.03437	5.4
69.07072	83.9
69.12545	15.5
70.07394	4.0
71.05005	27.9
79.05480	3.4
80.05039	4.9
81.03426	13.2
81.07070	18.7
82.06575	32.0
83.08544	2.2
89.79960	2.0
97.02889	7.7
99.04476	6.5
100.07618	3.8
109.02895	8.1
109.04818	5.7
109.10160	100.0
110.06062	3.2
110.10483	5.1
115.76374	2.3
127.03925	26.3
127.05861	6.8
127.11172	4.4
128.03467	6.7
128.06210	7.9
128.07104	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	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.8
55.01881	7.2
55.05516	18.2
57.03432	4.4
65.03959	6.0
67.04258	7.6
67.05518	11.6
69.03443	14.4
69.07056	4.4
69.10284	33.1
71.05004	66.0
80.05036	9.0
81.03424	24.5
81.07061	11.2
82.06587	100.0
83.05002	5.5
83.08629	5.2
84.08188	4.5
97.02917	9.2
100.07630	18.8
109.02885	17.4
109.04810	20.8
109.10168	15.6
110.06116	10.5
127.03928	71.1
127.05924	21.4
127.07348	7.3
127.11229	9.0
128.03464	19.0
128.06216	21.5
128.07103	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	128.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05505	1.4
55.93523	1.3
56.05038	0.4
56.75750	0.4
58.06579	0.6
58.29464	0.3
58.99886	0.5
62.48946	0.4
65.03933	0.5
67.04238	0.3
67.99894	5.2
68.53620	0.3
69.03416	0.6
69.85235	1.3
72.08128	0.4
80.05014	0.5
82.03732	0.4
82.06584	4.0
82.99832	1.0
83.04980	0.5
84.04509	0.5
84.08150	6.6
86.00928	13.8
86.06072	0.6
86.09709	0.6
87.01010	0.9
100.02494	0.9
100.07606	0.8
101.00880	15.6
102.00965	0.8
104.01970	40.8
105.00393	0.7
105.01066	0.9
105.02058	3.2
110.06028	1.1
111.04456	0.6
112.07636	0.4
112.11246	3.4
118.03526	3.4
119.01920	100.0
120.01994	8.9
121.01617	0.4
121.02383	0.4
122.02104	1.6
122.03006	31.8
122.99420	1.2
123.02098	9.9
123.03091	2.2
127.03520	0.7
128.01956	0.6
128.03426	0.4
128.04280	1.0
128.06253	0.6
128.07080	2.8
128.14333	0.4
129.13873	0.6
136.04553	2.9
137.02954	57.0
138.03065	3.3
140.03087	1.0
141.00455	0.4
141.03114	5.8
142.03516	2.2
145.04562	0.8
146.02960	6.4
146.96130	0.8
147.03107	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	128.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
55.05516	2.8
55.70027	0.5
56.05031	0.5
56.46967	0.5
57.03434	2.1
57.05817	0.7
58.06594	1.9
60.04523	7.0
60.24295	0.5
65.03944	1.1
67.04245	2.3
67.05507	1.1
69.03424	1.0
69.07069	30.8
70.07396	1.2
71.04993	5.5
71.28690	1.1
71.93672	0.5
72.04505	2.2
80.05023	2.1
82.06581	20.7
82.07074	1.1
83.04964	0.8
83.06113	1.1
83.06931	0.6
84.08154	1.4
85.02898	2.9
86.06076	1.2
86.09705	100.0
87.10031	4.0
100.07613	2.3
110.03200	0.6
110.06087	2.5
112.11228	1.5
128.03433	2.9
128.04263	1.0
128.06213	7.6
128.07098	10.1
128.10733	4.8
129.06996	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	129.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95800	0.6
53.03944	3.1
55.01878	3.4
55.05508	2.6
56.05034	2.1
57.03438	38.4
57.07083	0.9
58.03780	1.1
58.72881	0.8
59.84262	0.8
69.03426	4.5
69.07070	2.0
71.04993	100.0
71.29124	0.8
72.05325	2.8
77.67760	0.7
83.04993	2.5
83.06110	2.3
83.06899	1.2
84.03983	0.9
84.04505	28.9
84.08142	11.5
85.02907	52.4
86.03252	1.5
86.09693	0.9
87.97046	0.7
95.04953	1.0
99.04504	1.3
103.05492	4.4
111.04451	1.0
112.07605	11.3
112.11242	2.6
128.05037	0.8
128.06238	5.9
129.05493	1.3
129.07024	5.2
130.04977	2.6
130.06532	55.4
130.08629	2.2
130.15921	0.9
145.06461	0.8
148.88144	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	129.0912
Annotation	3-Isopropyl-3-butenoic acid
Peak:m/z	Relative Intensity
50.80238	0.8
52.48835	0.7
53.03947	1.2
55.01877	12.8
55.05515	70.6
56.02236	0.6
56.05853	2.1
57.07082	16.8
59.04976	0.7
65.69186	0.9
67.05513	1.4
68.09089	0.6
69.03429	5.4
69.07072	100.0
69.36591	3.2
70.07393	4.3
74.09721	11.9
82.12410	0.8
83.08622	88.1
84.04510	13.4
84.08149	7.0
84.08964	3.2
87.08109	29.9
88.08440	0.9
93.07056	0.8
100.48956	0.7
111.08081	12.4
112.07611	14.4
112.08354	1.6
128.06239	2.2
129.07019	1.4
129.09120	6.4
130.05048	1.6
130.06532	19.4
130.07463	1.2
130.08662	2.3
130.15921	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
56.04758	0.3
56.05038	6.1
57.01475	0.1
57.03444	0.4
57.05379	0.3
58.60639	0.1
60.05659	0.2
62.94944	0.2
64.91187	0.1
69.03437	1.0
70.06600	0.6
70.30730	0.1
70.31058	0.4
71.04996	0.5
82.45503	0.2
84.04509	100.0
84.08140	2.6
85.02908	6.2
85.04264	0.3
85.04829	2.6
85.08414	0.2
86.03271	0.2
87.04501	0.2
95.01302	0.8
102.05545	2.1
102.81998	0.2
112.07602	1.3
130.05011	8.6
130.08670	0.5
131.05367	0.4
137.90985	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	130.05
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
55.05505	0.3
56.05037	7.1
57.03435	1.0
57.07075	2.6
58.06588	0.3
60.04523	0.2
62.32294	0.2
65.03940	0.2
67.05505	5.2
68.05024	0.3
69.03429	20.2
69.07069	2.4
69.68542	0.7
70.03754	0.7
70.06596	0.8
71.05004	0.7
72.08147	0.3
72.93788	0.2
74.02438	0.3
82.06567	1.3
84.04505	100.0
84.08142	26.7
85.02907	2.5
85.04327	0.3
85.04823	2.4
85.06542	9.1
85.08475	0.6
86.06071	0.2
87.33852	0.2
88.34736	0.2
94.06580	0.6
95.01336	0.2
97.08920	0.2
98.22568	0.2
102.05508	0.9
103.05480	0.3
112.07603	42.2
113.07944	2.0
130.04025	0.3
130.05003	6.2
130.06505	2.3
130.08638	8.5
130.12276	16.3
131.05307	0.4
131.08966	0.2
131.12645	0.5
132.82741	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	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03949	1.9
54.88873	0.3
56.15068	0.2
56.91293	0.3
57.07074	1.9
60.04520	1.6
60.05647	1.4
60.90462	0.2
69.03427	4.1
69.07070	0.7
70.06596	2.8
71.04998	2.5
71.30509	0.3
74.09719	1.1
74.77117	0.3
77.03922	0.5
81.03403	0.3
82.06590	0.3
84.04507	3.3
84.08144	3.5
88.07628	0.3
91.05479	2.0
95.04974	1.6
102.04693	0.6
103.05476	16.7
104.05813	0.4
104.33593	0.3
105.04516	1.0
108.15826	0.2
112.07611	8.5
112.86864	0.2
113.07969	0.4
115.05490	0.3
116.06245	0.7
128.05005	1.9
129.06966	0.5
130.06534	100.0
130.12270	0.8
130.15901	1.7
130.46130	0.2
131.04991	0.7
131.06102	0.5
131.06886	5.6
131.08504	1.9
146.06058	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	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.10724	0.6
53.03949	1.0
56.05017	1.0
57.07079	32.9
58.07421	0.7
60.04520	1.5
60.05640	1.9
68.14140	0.6
69.03438	6.7
69.18709	3.0
69.19128	2.5
70.06596	3.3
71.05005	4.9
72.08143	0.9
74.09299	1.0
74.09723	19.9
82.06547	0.7
84.04510	11.7
84.08156	4.7
84.31865	0.6
91.05502	1.3
91.38496	0.7
95.04964	1.8
98.23323	1.0
99.16590	0.7
103.05472	16.7
112.07607	13.1
128.04973	0.7
130.06532	100.0
130.09727	1.7
130.15916	34.4
131.04913	1.3
131.06888	5.3
131.08566	1.2
131.16255	1.8
139.13461	0.6
146.05957	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	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
54.50971	0.1
55.05500	0.4
56.05040	4.0
60.05654	6.0
67.05512	0.6
69.57180	0.7
70.06599	10.2
71.04999	12.4
71.06921	0.2
72.05326	0.4
72.08156	0.8
74.52532	0.1
84.04527	0.4
84.08150	100.0
85.07928	0.3
85.08480	4.2
88.07640	0.6
90.91026	0.1
90.94991	0.1
98.23343	0.2
103.18362	0.1
112.07628	0.4
112.08771	0.3
117.53655	0.1
126.81918	0.1
127.29703	0.1
128.48186	0.1
130.06575	0.6
130.08658	8.9
130.09764	2.8
131.08989	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	130.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33907	0.9
56.05036	3.0
60.05654	29.6
61.94680	0.8
65.67632	0.9
67.05505	2.1
69.03436	17.7
69.07074	2.5
70.06596	100.0
70.21149	1.9
70.21490	2.0
71.04997	62.2
71.06939	2.9
72.05335	2.5
72.08153	1.7
73.52161	0.8
80.18848	0.8
82.06580	1.6
84.03989	1.4
84.04507	32.1
84.08148	37.0
85.04866	1.2
85.06553	3.4
88.07644	2.8
101.91517	0.9
110.96007	0.8
112.07613	35.9
112.08755	3.4
113.07966	1.2
130.05031	3.0
130.06520	4.3
130.08669	8.0
130.09784	13.6
130.12311	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	130.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29507	0.7
56.05040	3.9
57.07082	1.5
58.68361	0.8
60.05654	27.6
67.05513	1.9
67.55874	0.8
69.03418	4.1
69.48401	0.7
70.06597	100.0
70.07986	2.3
70.08382	1.4
71.04999	54.8
71.06929	2.7
72.05347	1.5
72.08159	3.0
84.04510	55.7
84.07634	1.0
84.08147	21.0
85.02924	1.7
85.04835	1.3
85.06556	3.4
88.07644	2.8
102.05552	1.0
112.07597	7.6
112.08746	4.5
117.33698	0.8
130.05038	5.0
130.08672	3.6
130.09779	12.1
130.12305	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	130.0977
Annotation	4-Guanidinobutanal
Peak:m/z	Relative Intensity
55.90371	1.0
56.05013	1.5
60.05650	28.6
67.05495	1.8
69.03434	10.2
69.57417	2.0
69.57815	2.5
70.06596	100.0
71.04995	60.2
71.06926	2.8
72.05318	1.4
72.08136	2.5
82.84048	0.9
84.04526	5.2
84.08148	21.4
85.06531	4.3
85.08459	1.0
88.07607	2.7
98.22456	0.9
112.07609	20.5
112.08728	4.3
113.07946	1.1
130.06567	1.2
130.08653	6.0
130.09764	14.6
130.12297	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	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
52.01638	1.3
52.56592	1.0
56.05033	1.8
57.07078	93.6
58.07409	4.2
60.60374	1.2
69.03434	3.8
69.07065	3.1
69.23344	7.0
72.08149	1.2
74.09721	50.5
75.10046	1.5
84.04506	33.5
84.08143	4.6
85.02924	1.6
86.09715	1.2
91.05476	2.2
93.01821	1.4
103.05468	5.2
112.07616	6.0
130.05054	2.1
130.06534	40.9
130.08607	1.4
130.15923	100.0
131.06906	2.8
131.08539	1.9
131.16245	8.4
133.79260	1.3
140.33849	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	131.0704
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
53.03934	2.9
57.07067	6.6
59.05003	35.0
65.03938	4.4
67.05511	40.2
69.07076	65.3
69.24889	2.1
70.07407	2.9
70.38227	2.0
70.60252	3.7
71.05000	100.0
72.08162	2.6
80.24242	2.5
84.04493	2.6
85.02904	2.9
85.04854	7.8
85.06557	8.0
86.09715	9.4
86.72034	2.3
89.06038	9.3
95.04987	18.0
103.03957	2.7
103.05473	89.0
104.05810	2.2
113.06013	33.2
113.07960	4.7
114.06336	2.7
131.07016	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
56.05032	0.6
56.47431	0.4
58.06589	0.6
58.07394	0.5
58.42744	0.4
58.97862	0.4
65.03939	1.2
68.04681	0.6
68.05034	9.3
69.07052	0.6
70.47057	0.6
70.47387	0.7
82.64419	0.4
84.04488	0.7
85.04846	2.1
86.00669	0.4
86.06068	17.5
86.09712	3.4
91.05482	100.0
91.54442	0.4
92.05823	5.7
95.04987	0.9
103.05465	9.5
104.05002	1.4
104.05729	0.5
105.07041	1.1
113.07908	0.6
113.33196	0.4
114.60667	0.4
115.05464	9.4
116.06245	31.5
117.06580	1.9
128.06238	1.6
129.07014	18.2
129.08000	0.4
130.07355	0.9
131.04939	1.4
131.08568	94.6
131.16241	0.7
132.04451	2.3
132.05635	0.5
132.06548	2.6
132.08105	0.5
132.08908	7.2
133.06491	1.5
143.06079	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	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
53.80767	0.5
58.62262	0.4
65.03957	1.0
81.65868	0.5
86.00695	0.8
91.05487	100.0
92.05817	4.8
98.22551	0.9
103.05463	3.5
105.07053	0.7
105.85690	0.6
115.05461	7.9
116.06251	25.9
117.05670	0.5
117.06576	1.5
121.14600	0.5
125.74637	0.5
128.06209	1.8
129.07011	14.7
130.07312	1.0
131.08574	78.4
132.08929	6.2
133.06523	1.1
136.61418	0.6
143.06053	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01595	0.4
51.02378	1.2
53.03951	7.0
71.18263	0.4
77.03938	3.2
78.03423	0.4
81.03427	0.9
93.94611	0.3
95.04970	7.3
96.04491	1.9
104.04993	85.6
105.03391	1.2
105.04540	3.2
105.05331	4.1
132.04453	100.0
133.03833	0.5
133.04794	6.4
145.73042	0.3
152.47160	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	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
51.02385	1.2
53.03714	0.5
53.03951	7.0
55.01870	0.4
56.76281	0.3
63.30856	0.3
66.20769	0.3
71.31755	0.3
77.03934	3.0
78.03449	0.6
81.03416	0.8
95.04972	7.3
96.04497	2.1
104.04996	87.7
105.03387	1.1
105.04525	3.6
105.05328	4.2
116.24553	0.3
130.48518	0.2
132.04457	100.0
133.04810	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	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02395	1.1
53.03954	6.2
55.01888	0.4
55.05526	0.4
56.49696	0.3
69.03445	0.4
69.78422	1.1
77.03945	2.3
78.03479	0.4
79.05496	0.8
81.03425	0.7
86.00658	1.8
86.06077	0.4
86.09757	0.5
91.05489	1.4
95.04975	7.2
96.04493	2.2
96.59259	0.3
103.05467	0.9
104.05001	83.6
105.03425	2.3
105.04541	4.3
105.05337	3.8
105.07030	4.8
114.41640	0.4
117.05777	1.3
131.08591	0.5
132.04463	100.0
132.08105	1.4
133.02963	0.3
133.04816	6.0
133.06494	1.5
133.07617	1.3
133.10143	1.6
141.96674	0.4
142.17581	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	132.0657
Annotation	Trans-4-Hydroxy-L-proline
Peak:m/z	Relative Intensity
53.03939	0.2
55.01864	0.2
58.06602	4.1
68.05029	54.0
69.05363	1.2
69.47998	0.9
73.61420	0.2
79.05496	1.2
86.06068	100.0
86.09705	1.6
87.06390	3.0
90.04671	0.4
91.05490	2.3
92.05820	2.0
95.04945	0.6
96.04510	0.3
103.05461	1.2
104.04990	1.2
104.05735	0.4
105.07030	7.0
113.06218	0.2
114.05504	1.2
115.05437	0.7
116.05784	0.3
117.06586	0.7
118.04163	0.8
124.24251	0.2
131.08571	0.3
132.04463	1.2
132.06558	14.1
132.08136	0.6
132.08902	2.0
133.06479	4.0
133.10098	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	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03952	1.3
72.93740	0.5
79.05489	1.9
86.06078	0.9
86.09694	1.6
90.04733	0.8
91.05486	2.9
93.05793	1.0
93.51759	0.5
95.04983	0.9
98.23349	1.3
103.05474	1.3
104.05013	3.2
105.04546	0.6
105.07038	11.3
115.05464	21.9
116.05804	0.8
117.05768	62.2
118.06114	3.8
130.06534	8.2
131.07355	6.7
132.04495	5.5
132.08099	100.0
133.06487	2.3
133.07561	0.7
133.08453	5.8
133.10097	0.6
143.06039	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	132.081
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.02369	1.3
53.03941	6.2
55.05520	1.5
57.03435	2.0
69.46077	6.0
74.42817	1.0
77.03921	1.9
78.96942	0.9
79.02446	0.9
79.05493	7.4
86.09705	1.9
91.05492	23.9
92.05816	2.8
93.07040	2.6
95.04980	7.2
96.04517	1.6
98.23289	1.5
103.05476	3.8
104.05004	38.8
104.05713	1.6
105.03415	2.3
105.04554	2.8
105.05368	2.4
105.07037	81.0
106.06573	1.0
107.08582	1.0
115.05464	14.6
117.05771	59.7
117.07060	3.1
118.06108	4.1
118.07807	2.1
130.06593	4.6
130.07391	1.8
131.07306	2.8
131.08627	4.5
132.04460	52.3
132.08096	100.0
133.04813	3.3
133.06483	7.2
133.07591	5.3
133.08557	5.6
133.10132	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06589	0.8
69.07071	10.2
69.08166	4.1
69.29410	0.6
74.55124	0.6
78.19466	0.6
86.09712	100.0
87.10034	3.6
93.27988	0.7
98.23413	1.1
104.05000	1.9
106.33920	0.6
114.12734	0.7
130.23456	0.7
132.04474	1.6
132.08142	0.7
132.10226	1.5
132.13890	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	132.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30174	0.6
55.05507	1.1
57.07080	1.3
58.06602	12.8
59.86132	0.6
60.05660	1.2
60.17754	0.7
67.05518	3.4
68.05038	1.2
69.07073	100.0
70.07407	3.6
78.61850	0.7
81.53858	0.7
84.04525	2.3
86.04910	0.8
86.06081	3.9
86.09711	8.9
87.08113	8.4
88.08463	1.1
89.60683	0.8
90.05576	1.7
114.12820	7.3
126.05590	0.6
132.10188	3.2
132.13850	57.5
133.14194	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	133.032
Annotation	THTC
Peak:m/z	Relative Intensity
53.03952	4.5
55.01879	1.2
55.05526	0.5
56.05026	0.4
56.98338	0.4
57.03442	6.1
58.06607	1.5
58.99295	0.9
58.99590	15.1
59.96732	4.1
61.01154	86.1
62.01105	0.6
62.01493	1.2
65.38665	0.3
68.05031	0.4
69.03437	0.9
69.05366	0.8
70.02954	0.9
70.06597	3.9
70.99598	0.9
71.01358	0.6
71.05005	0.5
71.12025	0.4
72.00365	3.8
72.08158	3.9
73.02929	0.7
74.02444	15.8
74.06102	0.5
74.99067	5.5
74.99464	0.4
75.02715	5.1
77.00632	6.7
79.05507	0.7
83.39327	0.4
85.01138	9.9
85.02913	11.2
85.04850	0.6
86.06078	0.5
86.99036	0.6
87.02698	100.0
87.04467	1.2
87.05602	2.3
87.06425	1.6
87.10040	0.8
88.03048	2.5
88.03992	4.5
88.07635	1.1
89.04248	0.8
90.09197	1.9
91.02196	2.6
91.05480	0.9
95.83007	0.4
98.06044	0.6
105.00101	6.1
105.03772	3.2
105.07031	2.8
106.06564	1.7
115.02122	0.6
116.03491	0.8
116.07084	0.5
133.03195	17.9
133.06673	0.4
133.07672	2.3
133.10126	0.9
134.06029	3.2
134.07103	0.8
134.08084	0.6
134.11774	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	133.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71555	0.9
53.03951	1.8
55.01853	0.9
55.05510	4.8
57.03447	5.2
59.61775	0.8
65.03943	1.0
69.03134	1.0
69.03437	9.3
71.27899	1.1
72.30001	0.9
75.04452	1.2
77.03929	1.5
79.05067	1.3
79.05501	14.6
85.02914	6.1
87.04482	1.6
91.05486	31.2
92.05797	1.2
93.07050	7.2
95.04971	3.7
96.37714	0.8
97.02905	1.1
103.05471	7.5
105.03380	2.0
105.04505	1.6
105.07035	100.0
106.06594	0.9
106.07359	4.4
107.08624	1.7
115.05460	9.2
116.06231	1.6
117.07018	9.0
118.04192	1.6
118.07805	7.8
131.08572	10.4
133.06499	14.4
133.07614	4.8
133.10135	78.0
134.06018	3.5
134.07010	1.5
134.09604	1.4
134.10487	5.4
146.86790	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	133.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.05510	4.7
57.03438	1.9
69.03416	4.4
69.20609	6.4
71.55614	0.9
77.03915	1.0
79.05489	15.9
85.02897	3.2
91.05485	34.1
93.07052	6.7
95.04987	2.7
97.02932	1.1
103.05494	7.0
105.07034	100.0
106.06568	2.5
106.07364	3.3
107.08551	1.5
115.05463	9.1
116.06256	1.7
117.07018	10.3
118.07827	9.2
131.08546	10.7
133.06471	7.3
133.07602	4.8
133.10132	82.0
134.05971	2.3
134.10480	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01595	1.6
50.44005	0.8
51.02378	8.3
52.56603	0.9
53.00337	0.9
53.03950	43.6
55.01860	1.6
55.05507	1.8
57.17598	0.9
59.10645	0.8
65.03945	10.6
67.05505	0.9
69.71088	3.5
77.03931	12.6
78.04781	0.9
79.05496	100.0
80.05833	3.0
81.03415	3.9
91.05486	13.1
93.03381	1.1
93.07027	3.0
95.04971	47.1
96.05330	2.7
102.04714	0.9
102.69431	0.8
103.05477	44.6
104.05745	1.3
104.06325	1.6
105.04522	20.1
105.07032	64.9
106.07355	3.5
108.21771	1.1
115.05446	3.1
116.06219	1.1
117.07005	2.9
118.07801	3.8
131.08569	3.7
133.06503	32.7
133.07526	2.2
133.10130	26.7
134.06851	1.8
134.10493	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	133.0649
Annotation	Atropaldehyde
Peak:m/z	Relative Intensity
51.02389	3.0
53.03949	27.8
55.01875	3.6
65.03922	2.1
66.04727	17.4
69.10755	12.6
77.03919	5.4
79.05495	35.9
81.03392	4.4
85.91957	1.4
89.03933	12.2
90.04710	37.2
92.02625	3.2
95.04984	21.0
101.24200	2.1
102.04698	6.2
103.05476	91.0
104.05811	4.8
105.04521	11.9
105.07030	19.4
112.41951	1.6
118.04163	100.0
119.04517	4.6
121.06470	8.3
131.06042	6.1
133.06497	62.8
133.07465	1.7
134.05963	3.0
145.86870	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03939	3.8
55.01876	4.3
64.09005	0.8
65.03931	1.2
66.04727	2.2
68.49716	0.8
71.30137	1.0
71.30550	1.0
77.03942	1.7
79.05498	19.8
87.28824	0.9
89.03926	1.2
90.04688	4.1
91.05480	8.4
92.90443	1.0
93.07012	1.1
95.04969	3.8
103.05467	14.0
104.05764	1.0
105.03433	1.0
105.04505	2.4
105.05312	2.3
105.07031	100.0
106.06578	3.7
106.07368	5.8
115.05433	4.9
118.04151	12.3
118.07853	1.3
118.28223	0.9
119.04485	1.3
131.04973	1.8
131.08586	2.0
133.02844	1.8
133.04823	3.5
133.06502	76.6
133.07576	8.0
133.10136	6.4
134.03630	1.8
134.06007	7.1
134.06920	3.8
134.08055	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	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01863	4.1
69.19991	3.7
69.20400	1.6
77.03937	1.5
79.05496	21.0
87.04475	1.5
89.03930	1.2
90.04680	3.4
91.05476	7.2
93.07061	1.6
95.04949	3.9
98.22649	1.6
103.05482	17.2
104.05017	1.4
105.03426	2.3
105.04547	2.4
105.07034	100.0
106.06561	5.5
106.07368	4.3
107.04963	2.5
115.05450	5.3
118.04165	15.8
119.04417	1.1
131.04921	1.6
131.08560	1.4
133.06500	77.0
133.10114	8.5
134.03641	2.1
134.05959	5.5
134.06868	3.8
134.09712	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	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03947	2.3
55.01862	1.5
55.05514	2.6
61.34951	0.4
65.03944	0.6
66.04713	1.3
67.05477	0.7
69.35579	1.9
69.35985	0.9
74.02437	3.4
76.62652	0.4
77.03902	0.5
79.05492	13.9
85.27711	0.6
88.03984	2.1
90.04709	1.4
91.05481	16.6
92.05822	0.8
93.07025	1.6
95.04942	2.4
96.06586	0.5
102.10341	0.5
103.05468	8.0
105.07029	100.0
106.06583	1.3
106.07361	4.4
107.04963	0.8
107.43024	0.4
115.05465	3.0
117.07022	0.9
118.04159	4.6
118.07810	0.5
131.04924	0.8
131.08580	2.7
132.05736	0.5
133.02831	0.9
133.06500	38.0
133.07559	2.9
133.10126	13.2
134.05989	1.7
134.06902	2.7
134.10497	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77395	0.3
51.02377	0.6
53.03949	2.7
53.75900	0.3
53.88245	0.4
54.15397	0.4
55.05515	3.2
65.03944	1.1
67.05511	0.7
68.33180	0.4
70.44845	1.1
77.03932	1.3
79.05494	13.0
87.44766	0.5
91.05484	28.6
92.05817	1.2
93.07048	6.5
95.04984	3.3
98.22707	0.5
103.05477	5.9
105.04523	1.3
105.07034	68.7
106.07361	3.6
107.08600	1.5
115.05462	10.1
116.06252	1.6
117.07019	12.3
118.07819	10.6
119.08110	0.7
129.07014	1.2
131.08586	7.9
132.08957	0.6
133.10133	100.0
134.10478	7.2
153.59470	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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	1.4
55.05513	3.0
55.88356	0.3
59.71796	0.3
65.03939	1.1
67.05502	0.8
70.65380	0.6
77.03922	1.1
78.04702	0.4
79.05492	11.0
80.05811	0.4
91.05482	28.2
92.05811	1.2
92.06318	0.5
93.07047	7.1
95.04993	2.2
103.05476	5.9
105.07031	71.2
106.07352	3.5
107.08594	1.8
115.05453	9.9
116.06321	2.1
116.39596	0.3
117.07021	13.0
118.07810	11.4
119.08160	0.9
129.07013	0.8
131.08568	9.0
132.08894	0.5
133.10129	100.0
134.03633	0.3
134.06015	1.2
134.09517	0.6
134.10464	7.9
141.09869	0.3
143.52353	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.06718	0.6
51.02396	1.1
51.70563	0.7
53.03383	0.5
53.03744	0.6
53.03950	5.9
55.05505	3.5
55.98746	0.6
60.05104	0.6
62.16967	0.6
64.66775	0.7
65.03928	2.0
67.05522	0.8
73.97787	0.7
77.03902	1.7
79.05493	21.2
81.03404	0.7
81.54958	0.6
83.35401	0.6
90.54738	0.6
91.05480	30.5
92.05809	2.2
92.06315	0.9
93.07043	8.2
95.04964	5.2
98.23360	1.7
103.05476	10.0
105.04556	3.1
105.07034	82.1
106.06558	2.2
106.07366	3.7
107.08560	1.9
111.56646	0.7
115.05466	8.7
116.06231	2.0
117.07017	12.6
118.07823	10.8
118.54596	0.7
119.08116	0.8
129.06941	0.6
131.08569	8.7
132.08893	0.7
133.06505	3.3
133.07614	6.9
133.10130	100.0
134.06006	4.0
134.06953	1.0
134.09627	1.0
134.10475	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	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02377	0.8
53.03949	2.7
55.05516	4.3
64.68295	0.4
65.03930	1.0
67.05499	1.5
69.90498	1.9
77.03934	1.6
78.04694	1.0
79.05496	12.1
91.05485	34.3
92.05797	1.6
93.07040	6.7
95.04968	2.3
103.05475	6.2
105.03427	1.5
105.04543	1.6
105.07034	100.0
106.06631	1.0
106.07372	5.9
107.08601	0.9
115.05455	6.7
116.06255	1.0
117.07030	8.2
118.04116	0.8
118.07836	7.8
119.08128	0.6
129.07034	0.8
131.08568	11.5
133.02858	1.1
133.06490	3.7
133.07613	4.1
133.10133	52.1
134.03651	0.6
134.06024	2.4
134.06973	0.7
134.09615	0.9
134.10493	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.24298	0.7
53.03939	2.5
55.05507	3.5
65.03925	0.9
67.05501	1.4
71.28457	1.1
77.59545	0.9
79.05492	13.6
85.52066	0.8
91.05482	48.0
92.05815	2.6
93.07030	6.1
95.04974	1.7
103.05463	7.4
105.07033	100.0
106.06701	1.1
106.07352	5.3
107.08585	1.5
115.05450	10.8
116.06266	2.1
117.07019	9.8
118.07807	11.2
129.07002	1.1
131.08583	9.3
133.06474	2.9
133.07585	3.0
133.10133	86.0
134.06039	2.0
134.07112	1.3
134.09587	1.5
134.10475	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05511	4.5
65.03942	1.7
67.05505	1.1
69.19656	4.0
74.33775	0.6
77.03957	0.7
79.05498	9.7
90.56855	0.6
91.05486	37.5
92.05830	2.1
93.07046	7.7
95.04977	2.2
98.23326	1.1
103.05460	4.6
105.07035	100.0
106.07355	7.2
107.08582	1.4
115.05468	8.7
116.06286	1.5
117.07019	8.1
118.07822	10.2
119.08109	0.7
123.93330	0.6
131.08571	12.5
132.08961	0.7
133.10136	54.9
134.06046	0.7
134.10497	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02378	0.7
53.03949	2.4
54.19559	0.4
55.01859	0.5
55.05516	5.0
65.03947	0.7
67.05503	1.4
69.03429	0.6
70.16217	1.4
77.03926	0.7
79.05492	10.5
80.05825	0.6
80.18088	0.3
91.05486	37.6
91.48959	0.4
92.05795	1.9
93.07049	8.2
94.07358	0.4
95.05002	1.9
103.05479	6.2
105.07034	100.0
106.07370	6.6
107.08582	1.8
115.05457	7.7
116.06246	1.3
117.07024	8.3
118.07819	9.6
119.08121	0.4
129.07022	0.7
131.07558	0.8
131.08565	14.9
132.08919	0.8
133.02815	0.5
133.06496	1.1
133.07582	1.2
133.10130	58.8
134.10471	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	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01598	1.1
51.02381	5.4
53.03949	38.8
54.04279	1.4
55.01877	3.3
55.05505	0.8
63.02379	0.9
64.03153	0.7
65.03936	1.1
67.05497	1.5
69.07082	0.9
77.03931	8.4
79.05497	30.8
80.05015	1.0
80.05827	1.2
81.03417	4.9
81.07060	1.1
89.03918	4.9
91.05485	18.0
92.02626	29.1
93.02959	0.5
93.05782	0.8
93.07049	7.9
94.04069	1.5
94.06584	0.6
95.04971	45.4
95.63835	0.5
96.05324	1.7
103.05490	4.1
103.14036	0.5
105.03432	7.3
105.04515	22.0
105.07027	10.1
106.07363	0.7
107.04952	6.6
107.08591	9.0
107.09285	0.7
109.01122	3.3
109.06522	0.9
115.05422	0.9
117.03371	2.3
117.07026	0.8
118.06554	1.8
119.03568	3.7
119.04929	0.8
119.06047	0.8
119.08600	1.4
120.02055	1.9
120.05737	1.8
120.09422	0.5
127.95920	0.5
133.58411	0.5
135.04420	100.0
135.08043	7.9
135.11731	2.7
136.02168	36.1
136.03232	1.0
136.04771	4.9
136.06189	31.7
136.07510	1.3
136.11203	0.9
137.04616	2.1
138.03117	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	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03953	6.8
53.04201	0.9
54.63837	0.8
62.01543	0.9
63.02381	6.4
71.31396	0.8
71.32601	1.1
77.03922	1.7
79.05497	15.0
89.03925	100.0
90.04238	3.7
91.05486	4.3
94.04059	2.1
95.04968	6.1
105.04516	2.5
107.04958	19.6
108.05277	0.9
109.01123	2.4
117.03386	31.4
118.03752	2.2
119.03553	8.0
135.04425	50.4
136.02170	28.3
136.04761	2.1
136.06194	62.2
137.04605	3.6
145.03947	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	135.0806
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
51.02374	0.8
53.03711	0.8
53.03951	8.0
55.01877	0.7
65.03958	1.0
70.32490	1.1
70.32856	0.9
77.03933	2.5
78.04726	0.6
79.05495	56.8
80.05823	2.5
81.03409	0.9
82.91490	0.5
89.03918	5.9
91.05483	8.0
91.06009	0.7
92.06276	1.8
93.07053	0.6
94.04144	0.5
95.04980	8.8
103.05473	44.4
104.05739	2.6
104.06411	0.5
105.04562	4.1
105.07034	100.0
106.07358	5.6
107.04940	2.8
107.08599	1.5
109.01144	1.3
109.06554	0.7
111.24205	0.5
115.05476	0.9
117.03381	2.6
119.03558	1.7
119.04936	1.6
120.05733	17.1
121.06020	1.0
133.64258	0.4
135.04445	2.9
135.08057	48.1
136.02168	10.1
136.06184	13.3
136.08409	2.8
137.04570	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02395	1.0
51.03494	0.7
52.45954	0.6
53.03953	5.1
55.01873	1.2
55.05513	10.0
56.05874	0.6
65.03947	4.4
67.05501	4.1
69.07066	3.4
69.09940	0.6
71.29935	0.7
77.03936	1.6
79.05499	24.6
79.05968	1.3
80.05022	1.4
80.05824	0.8
81.03427	0.7
81.07056	4.5
85.82978	0.6
91.05485	49.2
91.27261	0.6
92.02496	0.8
92.05833	2.1
92.78191	0.6
93.05805	1.8
93.07049	49.2
94.04060	1.9
94.06579	1.4
94.07324	1.2
94.07867	1.3
95.04974	8.0
95.08589	1.0
103.05500	0.7
105.04495	3.1
105.07035	23.3
106.04233	0.9
106.07288	1.1
107.04956	1.4
107.08598	100.0
108.08929	6.4
109.01106	11.3
109.06518	6.0
115.05490	0.9
117.07030	1.8
118.06577	1.0
119.03563	7.6
119.06063	5.9
119.08576	9.7
120.09405	3.4
121.08943	1.1
131.10356	0.6
133.10158	1.3
135.04474	0.9
135.05528	1.6
135.08086	2.2
135.09123	1.1
135.11694	16.6
136.02171	91.3
136.03932	2.3
136.06190	49.0
136.07553	3.1
136.11214	2.2
136.12067	1.8
137.04611	4.2
151.11844	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02398	0.8
52.79772	0.7
53.03952	5.9
55.01870	1.4
55.05511	7.4
56.24582	0.8
57.07086	1.0
65.03937	3.4
67.03017	0.7
67.04890	0.7
67.05524	3.4
69.07063	2.6
69.26178	2.6
69.26579	1.5
77.03930	0.9
78.04689	1.0
79.05497	19.4
80.05000	1.3
81.07061	3.4
91.05483	46.3
92.05824	1.8
93.05782	1.6
93.07046	37.7
94.04049	2.2
94.06587	1.2
94.07362	1.8
95.04973	7.3
95.08639	0.7
98.23373	1.5
102.54922	0.7
105.04523	2.9
105.07033	20.2
107.04978	2.6
107.08597	80.7
108.08215	1.1
108.08923	4.8
109.01106	10.5
109.06528	6.5
112.03976	0.7
112.49033	0.8
113.83590	0.8
115.05499	1.1
117.07028	1.8
118.06549	1.4
119.03532	5.7
119.06084	4.1
119.08598	9.8
120.09412	3.2
121.08870	1.0
133.10124	1.2
135.05540	1.9
135.06480	0.8
135.08031	2.3
135.09108	0.7
135.11705	14.2
136.02167	100.0
136.06183	50.5
136.07545	4.2
136.11197	2.2
137.04576	4.4
141.57674	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	6.6
53.45260	1.0
55.05511	9.0
55.59065	0.9
65.03942	5.5
67.05508	4.9
69.07070	4.5
70.14130	2.6
75.53349	0.9
77.03914	1.5
79.05495	27.5
80.05016	1.4
80.05836	1.3
81.07064	4.1
81.73425	1.0
91.05484	48.5
92.05784	1.1
93.05796	1.7
93.07048	43.8
94.04057	2.4
94.07386	2.8
95.04976	8.3
103.05478	1.8
105.04515	3.4
105.07033	22.0
106.07350	1.7
107.04964	3.9
107.08600	93.1
108.08206	1.9
108.08860	4.8
109.01103	10.7
109.06522	5.4
115.05450	3.1
117.07008	2.3
119.03555	6.8
119.06082	4.2
119.08582	8.6
120.09392	1.7
135.04466	1.8
135.05521	1.3
135.08066	7.8
135.09033	1.6
135.11696	13.7
136.02170	100.0
136.06189	58.6
136.07518	3.6
136.11153	2.3
136.12065	1.7
137.04593	5.3
150.98483	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02375	0.9
53.03763	0.7
53.03955	8.9
55.01874	1.1
55.05272	1.3
55.05515	14.5
65.03944	6.1
67.05512	4.9
69.07069	5.3
77.03918	1.5
79.05497	36.1
80.05016	1.0
80.05828	1.3
81.07066	5.8
89.03924	1.8
90.51898	0.8
91.05489	56.5
92.05810	2.6
93.07049	58.0
94.04035	2.8
94.07369	2.5
94.07873	1.5
95.04982	9.7
95.91772	1.0
105.04498	4.4
105.07039	23.7
106.07857	1.2
107.04984	4.9
107.08598	78.7
108.08912	4.2
109.01102	11.6
109.06517	6.7
115.05459	2.6
117.07004	4.0
119.03564	10.0
119.06101	4.6
119.08588	13.4
120.09422	5.2
124.05228	1.3
133.10106	1.1
135.04453	2.6
135.05486	1.9
135.06458	1.0
135.08049	5.8
135.09052	1.5
135.11705	19.3
136.02170	100.0
136.06186	59.0
136.07541	4.3
136.11154	1.6
136.12083	1.9
137.04594	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02389	0.9
53.03950	6.9
55.01871	1.6
55.05511	6.0
57.07090	0.8
58.75560	0.6
65.03944	6.7
67.05508	5.8
69.03417	0.7
69.07064	1.6
77.03941	0.9
78.04739	0.8
79.05499	40.2
80.05011	1.3
80.05829	1.8
81.07056	3.1
91.05488	86.4
92.05812	2.6
92.06302	1.5
93.07048	41.8
94.04056	2.4
94.06583	0.8
94.07375	2.1
95.04970	8.4
95.08635	0.7
103.05450	2.9
104.06277	1.5
105.04527	3.9
105.07037	35.8
106.07345	0.9
107.04951	3.3
107.08601	77.9
108.08212	1.1
108.08906	4.6
109.01105	11.2
109.06512	8.1
110.33976	0.6
115.05465	11.7
117.07037	9.9
118.07321	1.0
119.03558	6.2
119.06087	7.3
119.08583	29.0
120.05758	0.9
120.09442	7.3
133.10146	2.4
135.04466	1.3
135.05458	1.3
135.08067	31.2
135.11700	27.3
136.02171	100.0
136.06186	45.8
136.07518	2.2
136.08455	1.8
136.11147	1.4
136.12047	2.4
137.04610	3.7
137.09596	1.0
141.55428	0.7
147.09181	1.8
151.74794	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02380	1.4
53.03948	11.7
54.12905	1.1
55.01861	3.2
55.05512	8.4
63.04575	1.2
65.03928	4.9
67.05497	3.4
67.82053	1.1
69.07062	2.4
70.16927	3.6
73.72900	1.2
77.03929	2.4
79.05494	30.0
79.37920	1.4
80.05043	1.9
81.03411	2.4
81.07045	2.9
81.86115	1.3
82.55103	1.2
89.03922	5.9
91.05481	69.9
92.02627	1.6
92.05790	3.1
92.06291	2.1
93.05788	2.7
93.07040	46.0
94.04035	2.7
94.07345	1.6
95.04964	9.5
100.65979	1.3
103.05468	4.0
105.04514	4.2
105.07028	32.3
106.07332	1.9
107.04966	6.8
107.06086	1.4
107.08594	81.1
108.08925	5.9
109.01113	9.0
109.06513	8.0
115.05455	9.4
117.07054	6.2
118.06537	2.1
119.03555	11.5
119.06090	6.1
119.08577	14.7
120.09339	5.0
125.05978	1.4
135.04413	9.7
135.05533	4.6
135.08064	24.2
135.09085	1.9
135.11682	19.5
136.02161	100.0
136.06183	79.7
136.07358	2.9
136.07578	2.9
136.08430	2.1
136.12059	1.4
137.04543	5.8
139.20120	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02381	1.4
53.03952	7.4
55.01857	1.2
55.05518	9.5
58.68477	0.8
65.03944	4.6
67.05516	4.8
69.03437	1.1
69.07067	4.6
69.27374	1.4
69.27783	4.1
70.25579	0.8
77.03954	0.9
79.05498	30.4
80.05016	1.8
80.05853	1.0
81.07061	5.6
89.03915	2.1
91.05485	56.0
92.05811	1.8
93.07049	54.6
94.04077	1.7
94.06580	1.6
94.07367	2.2
95.04983	9.3
105.04518	3.1
105.07039	23.6
106.04180	0.9
106.07347	1.3
107.04954	3.9
107.08598	100.0
108.04635	0.9
108.08214	1.6
108.08904	6.7
109.01105	9.6
109.06519	8.0
109.45412	1.0
112.75063	0.9
115.05475	2.4
117.03441	1.0
117.07010	2.9
118.06580	1.3
119.03579	6.8
119.05243	1.0
119.06039	5.8
119.08578	12.9
119.85884	0.9
120.09365	2.8
133.10150	1.3
135.04408	2.9
135.05450	1.1
135.08095	6.8
135.11694	21.9
135.12691	1.5
136.02167	83.0
136.06189	50.8
136.07550	4.0
136.11186	3.1
136.12094	1.3
137.04552	4.3
142.88289	0.9
147.09100	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02362	0.7
53.03954	6.6
55.01865	1.5
55.05513	12.8
57.07077	0.8
65.03584	0.7
65.03940	3.8
67.05508	8.0
69.07071	4.4
69.62347	0.7
71.29341	0.8
77.03931	1.2
78.04689	1.0
79.05498	38.6
80.05843	1.7
81.03430	0.9
81.07061	7.4
89.03848	1.0
90.16698	0.6
91.05485	59.7
92.05814	2.5
93.07047	61.2
94.04082	0.8
94.06519	0.7
94.07382	2.4
94.07883	1.7
95.04969	7.5
103.05480	1.1
104.06293	0.6
105.04554	3.4
105.07036	23.9
106.04193	1.2
106.07347	1.9
107.04941	1.2
107.08598	100.0
108.04424	0.7
108.08929	6.0
109.01085	4.8
109.06520	8.8
115.05444	2.4
117.07018	2.9
118.61780	0.7
119.03576	3.5
119.06077	6.3
119.08579	11.4
120.09421	3.5
133.10167	1.4
135.04488	1.2
135.05522	1.1
135.08073	4.0
135.10664	1.3
135.11696	22.6
136.02167	42.1
136.06187	23.9
136.07552	1.9
136.12079	1.6
137.04594	1.2
142.96097	0.7
144.44632	0.8
148.08226	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03950	6.4
55.01897	0.7
55.05519	9.3
59.24434	0.7
65.03947	3.7
67.05501	3.3
69.07088	3.7
69.40026	4.5
79.05495	25.3
80.05828	0.8
81.07066	3.0
88.11148	0.6
91.05489	52.8
92.05827	2.9
93.07050	44.0
94.07364	2.7
94.07875	1.3
95.04961	6.9
98.22579	0.9
103.05488	1.8
105.04504	2.8
105.07039	24.1
106.07322	1.3
106.52461	0.7
107.04954	1.3
107.08601	100.0
108.08938	6.4
109.01093	1.6
109.06524	6.5
115.05493	1.7
117.07024	2.0
119.03572	0.8
119.06083	6.5
119.08583	11.1
120.09402	4.5
129.79300	0.7
133.10135	1.3
135.08057	1.3
135.10693	1.0
135.11707	17.8
136.02170	20.1
136.06186	8.4
136.07257	0.8
136.07512	0.6
136.12050	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	136.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77856	0.3
53.03953	1.8
55.01857	0.4
60.67041	0.2
65.03942	7.1
66.04288	0.3
66.04697	0.3
67.02982	0.6
67.05505	1.7
67.38942	0.3
68.05043	0.4
68.06139	0.3
69.03433	0.6
72.41692	0.2
76.42477	0.2
79.05492	1.3
80.05019	19.8
81.03419	0.9
81.05370	0.5
81.07040	1.8
89.03921	0.5
90.03448	0.6
90.04250	1.8
90.05543	0.5
91.05479	10.3
92.02496	0.8
92.04999	1.8
92.05814	0.6
93.03416	1.0
93.05774	1.1
93.07056	0.6
94.02946	0.6
94.04089	5.5
94.06557	0.9
94.07355	0.4
95.04964	1.6
95.08608	0.8
96.04525	0.4
96.05241	0.3
105.04514	0.3
107.05016	0.4
107.07342	0.5
107.08626	0.4
108.04486	12.1
108.05225	0.6
108.08142	0.9
108.08868	0.6
109.01097	8.3
109.02842	0.5
109.05109	1.2
109.06505	1.8
109.07635	0.4
109.10152	0.5
111.04455	1.9
112.05094	0.4
118.03754	0.4
118.06560	1.0
119.03553	12.8
119.04837	1.6
120.03933	0.4
121.08893	0.9
122.03657	3.7
122.07288	0.5
123.33670	0.3
126.05571	0.7
136.02187	66.5
136.03920	49.3
136.06180	100.0
136.07503	3.6
136.11139	1.9
137.02521	3.8
137.04553	9.9
137.05986	6.4
137.09610	1.4
137.10649	0.4
154.05002	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	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.9
66.24941	0.2
67.02979	0.6
71.22796	0.2
74.05133	0.2
79.05493	0.4
91.05486	12.3
92.02483	0.7
94.04062	4.6
107.04963	0.4
108.08973	0.2
109.01108	0.9
109.05124	1.3
109.06470	0.3
112.05074	0.3
119.03560	13.9
119.04874	3.5
120.03914	0.4
122.03645	0.5
136.02182	9.2
136.06192	100.0
137.02435	0.6
137.04590	7.8
137.05896	2.9
137.06622	1.9
137.08122	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
63.91300	0.2
65.03927	0.4
67.02980	0.7
71.23547	0.3
91.05477	14.8
92.02480	0.9
92.05814	0.6
94.04049	4.8
96.48654	0.2
107.04950	0.6
109.05116	1.0
109.06479	0.4
118.06524	0.4
119.03545	15.3
119.04851	3.0
120.03883	0.5
120.05251	0.3
136.06178	100.0
137.04581	7.6
137.06653	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	136.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42065	0.7
53.03960	2.9
55.01888	3.0
55.36905	0.7
58.02962	66.2
65.03961	3.0
67.02981	0.7
67.05505	6.1
69.63685	1.5
69.64087	2.5
73.11624	0.6
73.90089	0.6
76.04030	3.9
79.05495	15.4
79.62502	0.7
80.05052	0.9
80.05841	1.8
81.03408	0.9
81.07063	8.3
82.06544	0.9
91.05484	53.8
92.05815	2.9
92.06294	2.5
93.05787	3.7
93.07062	2.2
94.04119	4.9
94.06567	1.6
94.07367	1.1
95.04980	3.5
95.08610	3.8
96.50357	0.7
98.22717	1.0
104.04993	1.9
104.06258	2.9
106.07340	0.8
107.04960	1.0
107.07381	0.8
107.08612	1.2
108.08144	1.5
108.08919	2.7
109.01101	11.6
109.06512	3.1
109.10161	2.5
117.05753	5.0
118.06547	51.4
119.03557	7.5
119.07333	97.6
120.07640	5.3
121.08814	0.8
122.03644	4.9
122.07283	1.9
136.02164	100.0
136.06177	69.7
136.07562	36.4
136.08356	1.4
136.11180	3.3
137.02512	6.8
137.03497	1.5
137.04559	5.2
137.05876	7.0
137.07933	2.5
137.09613	6.0
144.95262	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	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03951	12.0
55.01872	12.3
65.03930	3.1
66.04436	0.8
66.04727	8.7
67.05166	0.7
67.05496	2.6
67.11810	0.7
68.99792	2.1
69.03425	0.9
69.04697	1.3
69.05098	4.0
71.01360	4.8
77.03927	0.7
78.13993	0.7
79.05493	5.5
81.03419	60.3
81.07056	4.0
82.03749	1.7
91.05475	7.3
94.04189	58.5
95.04982	1.8
95.08575	0.7
103.42384	0.7
107.01318	9.8
107.04932	2.0
109.02878	7.4
109.06537	1.9
109.10151	1.2
110.06020	1.7
121.06506	1.2
121.61998	0.6
122.03651	75.0
122.07267	1.6
123.03967	2.6
124.73103	0.7
125.02283	0.9
127.03925	13.2
137.02344	84.4
137.03461	63.6
137.05969	100.0
137.09537	4.5
138.01718	2.5
138.02689	3.1
138.03802	1.8
138.05406	1.4
138.06374	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	137.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
53.03933	1.6
55.01873	1.0
55.49487	0.5
65.03933	2.3
66.04726	8.8
67.05499	1.6
69.85572	0.8
69.85919	1.6
73.89665	0.5
77.03928	1.3
79.05498	5.5
80.00286	0.5
81.07066	3.3
88.51222	0.5
91.05466	4.8
94.04190	57.2
95.04498	1.8
95.04982	2.0
95.08577	0.8
96.04467	0.6
98.22713	0.6
105.03371	0.7
105.04498	0.6
107.04937	1.7
109.06516	0.9
110.06108	0.8
119.98854	0.5
120.04541	0.8
122.03652	71.7
123.04004	3.6
131.66371	0.5
135.04388	0.6
137.02579	3.7
137.05978	100.0
138.01727	1.3
138.05441	1.7
138.06357	4.3
138.09100	0.6
143.72565	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01588	0.6
51.02383	0.7
53.03952	1.6
55.01868	1.1
65.03954	2.3
66.04726	11.3
70.55567	0.7
70.55888	0.6
77.03926	1.4
79.05496	4.0
81.07074	2.1
91.05487	4.9
94.04192	62.6
95.04523	1.6
95.05031	0.7
105.03406	1.0
107.04977	2.2
109.06502	0.9
122.03654	79.6
122.09972	0.4
123.04002	3.3
129.34216	0.4
135.04416	0.6
137.05981	100.0
138.06294	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02358	0.9
53.03947	1.8
54.73258	0.9
55.01874	1.0
65.03938	2.7
65.35963	1.0
66.04726	9.3
67.05492	3.0
69.04542	0.9
69.56517	2.6
69.56934	1.1
77.03929	1.9
79.05497	6.2
81.07073	4.1
91.05486	6.8
93.03405	0.9
93.07030	2.0
94.04192	61.1
95.04487	1.5
95.08613	1.7
96.04490	2.6
98.22733	1.0
107.04958	2.9
108.06847	2.1
109.06499	1.8
109.07633	0.8
110.01408	1.0
110.06026	2.2
114.87002	0.8
114.90839	1.0
120.04460	2.8
121.06448	2.2
122.03653	80.2
123.03972	3.6
123.06834	2.0
137.02560	10.9
137.05966	100.0
137.09575	2.3
137.10712	1.9
138.01721	5.5
138.05460	5.6
138.06377	5.3
138.09135	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	14.6
66.04750	1.1
67.73105	0.8
69.66130	3.4
76.19339	1.0
77.03932	3.0
79.05496	7.3
81.03434	1.9
81.07072	3.4
88.54193	0.8
91.05501	4.0
93.07043	1.1
94.04187	72.4
95.04998	12.6
105.04523	6.2
107.04959	5.8
109.06519	100.0
110.06238	0.8
110.06849	4.7
111.04367	0.9
121.06541	1.5
137.02444	1.5
137.05917	16.5
138.05492	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	1.1
53.03948	6.8
53.60834	0.5
55.01876	5.6
65.03926	2.9
66.04721	9.8
67.05505	3.0
68.99776	1.3
69.39169	3.2
71.01358	2.3
76.60657	0.6
77.03936	0.8
78.36330	0.6
79.05492	5.7
81.03418	29.1
81.07065	3.5
82.03751	1.2
91.05485	7.5
92.05801	0.8
94.04187	59.7
95.01344	0.6
95.04503	2.1
95.04992	1.6
95.08577	1.4
96.04517	0.7
105.03351	0.7
105.04539	0.9
107.01344	3.5
107.04972	2.3
109.02898	3.9
109.06554	1.2
109.10178	1.0
110.06038	0.9
118.95807	0.6
121.06503	1.1
122.03646	79.5
122.07272	1.9
123.03978	3.5
127.03913	5.5
137.02342	41.7
137.03458	30.5
137.05971	100.0
137.09557	3.2
138.01718	2.3
138.02716	1.8
138.03835	1.4
138.05437	1.5
138.06319	6.3
138.09113	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	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03971	0.4
55.01909	0.2
58.37049	0.2
63.02415	0.2
63.03909	0.2
65.03946	7.4
65.04282	0.4
66.04292	0.3
68.33170	0.2
71.29460	0.3
79.05500	1.2
81.07062	2.0
91.05486	100.0
92.05816	5.6
93.07053	1.1
94.04170	0.6
95.04964	0.3
103.05463	0.9
107.04937	0.2
107.11220	0.2
109.06525	2.1
110.06845	0.2
119.04948	28.0
120.03866	0.7
120.05270	1.6
121.06512	6.4
122.03637	0.2
124.32381	0.2
137.05905	21.5
138.06308	1.5
153.63681	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03948	6.2
55.01869	2.2
55.05507	1.1
65.03946	5.4
66.04716	4.3
67.05505	4.9
69.03427	21.4
69.03778	1.6
69.59885	1.9
69.60289	4.0
77.03906	1.1
79.05494	42.2
80.05818	1.3
81.03412	1.0
81.07056	61.1
82.07390	2.9
91.05479	9.7
92.05825	1.0
94.04190	24.3
95.04982	1.7
95.08607	5.2
98.22636	0.9
105.04503	1.3
107.04948	2.6
109.06519	36.9
109.10175	1.3
110.06120	1.0
110.06866	2.7
119.04924	1.5
120.04501	1.4
121.06509	2.6
122.03649	21.9
122.07270	2.7
123.03985	1.4
137.02515	8.2
137.05977	100.0
137.09607	6.0
138.01765	2.1
138.05461	2.1
138.06335	5.9
138.09161	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	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02390	0.2
53.03941	0.3
55.01876	0.3
58.75075	0.2
60.30247	0.2
65.03943	8.7
66.04286	0.3
67.05510	0.4
68.46803	0.2
68.99809	0.2
70.12803	0.7
79.05489	1.1
80.37061	0.2
81.07063	1.8
91.05484	100.0
92.05000	1.5
92.05817	5.4
93.03416	0.9
93.07064	1.1
94.04190	0.5
94.06567	3.9
96.04491	0.7
98.22630	0.2
103.05456	0.6
107.04996	0.3
109.06525	2.4
110.06062	2.8
110.06791	0.2
111.04446	2.6
119.04947	29.1
119.17384	0.2
120.05273	2.4
121.06509	5.8
137.05956	22.1
138.05496	21.9
138.06332	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03937	1.4
53.34061	0.6
55.01869	1.0
55.05510	1.1
65.03928	4.4
66.04697	0.6
67.05508	7.0
69.03423	1.5
69.43744	3.4
79.05087	0.8
79.05500	12.4
81.06586	1.3
81.07059	22.2
82.07415	0.8
86.69906	0.7
91.05485	25.2
92.05813	1.6
93.07038	1.5
94.03600	1.0
94.04192	18.7
95.04983	1.3
95.08610	3.4
96.04473	1.1
96.13185	0.6
98.22676	1.3
107.04967	16.9
108.05216	0.8
109.06516	12.3
109.10171	1.4
111.04410	1.4
119.04945	0.9
119.06042	1.3
121.02872	65.1
122.03690	20.0
122.07326	0.8
123.03980	1.6
137.02473	1.7
137.05978	100.0
137.09555	3.1
138.05461	2.3
138.06392	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05517	4.0
57.51857	0.7
61.42764	0.7
65.03935	3.2
66.04723	1.4
67.05508	28.6
68.05846	1.0
69.03423	0.8
69.07079	6.5
71.29373	1.3
79.05495	9.7
79.17801	0.7
81.03414	1.4
81.06590	1.1
81.07056	13.8
81.13902	0.9
91.05483	9.1
93.07040	4.4
94.04168	5.2
94.07842	0.8
95.04974	7.4
95.08611	6.3
96.04500	1.8
107.04941	1.8
109.06516	3.0
109.10153	9.8
110.01418	1.0
110.06043	2.7
111.05554	0.8
119.08594	1.6
120.04498	1.4
121.06512	21.8
122.03680	4.4
122.07297	69.6
123.07632	2.6
137.02530	13.4
137.04539	0.9
137.04892	1.0
137.05878	7.4
137.09622	100.0
138.01747	4.7
138.05528	6.5
138.06439	1.3
138.10014	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02377	0.4
53.03950	2.6
55.01885	0.6
55.05288	0.6
55.05501	2.6
65.03954	1.5
66.04710	0.4
67.05508	28.7
68.05864	0.7
69.03432	2.7
69.07074	1.5
70.64619	0.9
77.03942	0.4
78.04743	0.8
79.05498	6.9
81.03411	0.9
81.07064	12.1
91.05484	15.3
92.05846	0.8
93.07037	4.3
94.04170	2.1
94.07834	1.9
95.04971	3.7
95.08061	0.5
95.08620	7.4
96.04521	0.7
96.08948	0.4
103.05487	2.0
104.06268	1.4
105.04525	1.5
107.04961	30.8
107.08607	1.7
108.05282	0.7
109.06513	2.2
109.10162	28.7
110.01459	0.7
110.06040	0.7
110.10484	1.9
117.07019	2.2
119.08587	17.7
120.04526	0.4
120.08961	0.9
121.06506	11.4
122.03735	1.9
122.07291	100.0
123.07616	6.0
135.08055	4.1
137.02504	4.8
137.05925	4.7
137.09618	69.9
138.01773	2.3
138.05515	3.0
138.09125	0.4
138.09985	4.1
139.07590	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03934	1.5
53.11895	0.5
55.05515	3.3
57.03443	0.5
62.76756	0.5
65.03938	1.7
67.05505	27.0
68.05830	0.8
69.03424	1.0
69.07068	5.7
70.07469	0.5
71.28899	0.6
79.05495	7.9
81.07050	9.2
82.06576	0.7
82.77357	0.4
91.05476	6.6
93.07048	3.1
94.04176	2.7
94.07832	0.7
95.04974	6.8
95.08611	5.1
103.05473	0.8
105.07048	0.5
107.04991	1.1
107.08604	1.6
109.06496	2.5
109.07622	0.7
109.10152	7.1
110.06053	1.5
110.10486	0.5
119.08538	1.6
120.04471	0.8
121.06511	18.7
122.03676	3.4
122.07289	62.2
123.07607	3.3
137.02530	6.9
137.05876	4.6
137.09615	100.0
138.01756	2.9
138.02679	0.6
138.05528	4.5
138.09048	1.1
138.09964	3.7
149.96172	0.6
153.48404	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03939	2.5
54.51118	0.9
55.05508	2.5
55.08563	0.8
57.07076	1.7
67.05508	30.2
69.03426	0.9
69.07058	1.8
70.33143	1.9
77.21312	0.7
79.05504	6.3
81.07059	13.2
91.05479	14.2
92.05826	1.1
93.07029	4.0
94.04190	3.7
94.07851	1.5
94.32455	0.9
95.04955	2.5
95.08608	11.9
103.05472	1.4
104.06242	1.4
105.04546	1.3
107.04955	26.9
107.08589	2.0
109.06535	2.3
109.10158	29.3
110.10500	3.3
117.07043	1.9
118.44472	0.8
119.08589	15.2
120.04520	1.1
121.06506	10.3
122.03643	3.0
122.07291	100.0
123.07632	5.3
135.08051	3.2
137.02487	5.1
137.05913	3.9
137.09619	73.4
138.01799	1.5
138.05533	2.2
138.09964	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03945	1.9
55.01858	0.8
55.05510	2.5
65.03931	1.9
66.04732	0.9
67.05511	27.8
67.72009	0.8
69.03423	1.8
69.07070	1.5
69.80621	3.0
79.05504	5.3
81.03399	0.7
81.07063	9.4
82.07368	0.7
91.05485	14.1
91.45607	0.9
93.07055	3.5
94.04200	7.6
95.04969	3.7
95.08615	7.7
96.04515	1.1
103.05457	2.0
103.29604	0.7
104.06256	0.8
107.04961	22.3
107.08590	1.8
109.06535	1.6
109.10162	32.9
110.06088	0.9
110.10500	1.9
111.94502	0.9
117.06998	1.7
119.07770	1.5
119.08575	15.2
121.06525	8.7
122.03671	10.0
122.07296	100.0
123.07635	5.2
126.35025	0.8
135.08057	4.1
137.02477	8.1
137.03473	1.4
137.05943	13.7
137.09625	79.6
138.01759	2.6
138.05571	4.2
138.10001	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.01363	1.0
51.57188	1.0
53.03943	3.4
55.01862	3.6
55.05517	18.8
57.03437	1.3
65.03941	5.1
66.04731	0.9
67.05509	100.0
68.05037	0.9
68.05835	3.6
68.78985	1.1
69.03426	2.7
69.07077	5.4
70.81156	2.4
79.05504	11.8
80.66870	0.9
81.03421	5.2
81.07059	28.6
81.97252	0.9
82.07409	1.7
83.04971	1.3
91.05485	11.9
93.07047	5.8
94.04194	5.1
94.06582	1.5
95.04976	13.9
95.08605	15.7
96.04556	1.7
96.05185	1.1
103.05544	1.1
105.04512	1.5
105.07015	1.2
107.04945	2.3
107.08581	6.0
109.02869	1.3
109.06522	11.5
109.10163	68.2
110.06046	2.4
110.10507	3.6
117.07055	1.9
119.08586	4.7
120.04501	2.3
121.06478	1.6
122.03659	5.1
122.07301	5.1
137.02406	12.3
137.03470	3.3
137.05864	7.1
137.09627	22.8
137.10686	1.9
138.01717	1.9
138.05533	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
52.02707	1.0
53.03954	5.2
54.53955	1.0
55.01857	1.2
55.05515	14.4
57.07082	7.3
64.46397	1.1
65.03947	5.9
66.04729	2.4
67.05509	100.0
68.05814	3.5
69.03420	2.8
69.07076	10.4
69.39552	6.2
79.05083	1.1
79.05499	19.0
80.05805	1.2
81.03376	1.8
81.07062	58.7
82.07339	1.6
83.04993	2.0
91.04971	1.4
91.05482	18.0
92.04995	1.5
92.05791	1.5
93.07052	9.2
94.04191	19.0
94.06496	1.1
95.04977	13.6
95.08611	64.9
96.04467	1.7
96.08922	1.6
102.54568	0.9
105.04529	1.2
105.07018	1.8
107.04924	2.3
107.08591	7.1
108.06854	1.5
108.08897	1.4
109.05894	1.1
109.06522	12.2
109.07641	1.5
109.10159	36.1
110.01478	1.4
110.06001	3.5
110.10471	2.1
117.06988	2.2
119.08611	5.9
120.04484	1.8
121.06462	2.1
122.02856	1.5
122.03655	24.6
122.07325	5.4
123.03973	1.5
137.02504	14.4
137.05940	38.8
137.08669	1.9
137.09627	30.4
137.10683	2.1
137.13234	7.2
138.01726	4.3
138.05475	11.0
138.06366	2.3
138.09015	1.3
138.09962	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.30652	0.7
53.03947	2.1
55.01863	1.0
55.05523	6.6
57.07086	10.6
58.07407	0.8
58.43031	0.9
58.55574	0.8
59.86910	0.9
60.50443	0.9
65.03499	0.8
65.03938	3.0
66.04713	2.7
67.05510	38.8
68.05820	1.0
69.03438	1.7
69.07071	7.2
71.29243	1.8
79.05500	11.6
79.56705	0.9
80.05840	1.0
81.03425	1.8
81.07064	71.2
82.06597	1.7
82.07394	3.1
91.05482	7.9
92.04999	1.2
93.07049	9.7
93.52448	0.9
94.04189	14.8
94.06596	1.1
95.04976	2.9
95.08615	100.0
96.04490	2.7
96.08971	4.7
107.04960	2.0
107.08620	1.0
108.06861	1.1
109.06534	3.1
109.10181	10.6
110.01497	1.6
110.06055	3.8
114.79698	1.0
114.80623	0.9
119.06107	1.2
119.08577	2.2
120.04486	5.1
121.06498	3.9
121.81970	0.8
122.03658	14.1
122.07335	5.3
123.04040	1.5
123.06831	1.8
132.91498	1.0
137.02527	19.9
137.03523	1.5
137.05888	21.6
137.09645	11.9
137.10680	2.0
137.13245	8.3
138.01779	8.0
138.05508	14.4
138.06476	1.7
138.09117	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	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.35260	1.0
52.91529	1.0
53.03940	3.8
55.05522	9.3
57.07082	9.9
58.76380	1.1
65.03954	3.7
67.05510	36.2
69.07074	9.4
69.98679	3.7
71.04181	1.3
74.02581	1.2
79.05495	15.0
80.05836	1.3
81.07063	77.2
82.07401	4.6
89.23100	1.1
91.05483	11.0
92.05073	1.2
92.05818	1.7
93.07046	8.6
94.04184	7.9
95.04980	4.3
95.08614	100.0
96.04502	2.7
96.08942	5.7
107.08574	1.4
107.94540	1.1
108.08872	1.1
109.06503	2.6
109.09385	1.8
109.10174	8.0
110.01475	2.5
110.06043	4.2
119.04984	2.2
119.05983	1.2
120.04475	1.2
121.06523	9.9
122.03679	9.0
122.07293	14.9
123.06848	1.5
137.02531	17.0
137.03571	1.8
137.05908	16.1
137.07112	1.8
137.09625	25.9
137.10684	2.0
137.11633	1.1
137.13234	7.2
138.01762	8.1
138.05518	11.1
138.06419	2.0
138.09103	2.0
138.10039	1.8
138.11076	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	137.1326
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
50.97172	0.9
51.02408	0.9
53.03941	1.6
55.05511	6.3
57.07078	17.7
59.21970	0.8
65.03952	2.3
66.16523	0.8
67.05507	33.0
68.05848	1.1
69.07066	6.8
69.75613	3.2
71.08617	0.8
75.66075	0.8
79.05498	8.8
81.07059	50.6
82.07403	3.5
91.05495	3.7
92.05016	1.3
93.07053	8.5
94.04198	3.0
95.04997	1.1
95.08609	100.0
96.08940	6.0
98.23230	1.1
101.89706	0.8
107.08591	1.8
109.06582	0.9
109.10165	11.5
110.06057	1.0
120.04520	1.2
121.06531	0.9
122.03647	4.2
122.07294	2.7
123.72799	0.8
137.02533	4.8
137.05917	6.7
137.09634	3.2
137.13268	14.2
138.01749	2.2
138.05513	3.5
138.09151	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.83438	0.8
53.03942	3.9
55.05515	7.7
57.07074	11.8
58.07388	0.9
64.82872	0.8
65.03944	3.4
67.05507	34.6
68.05815	1.4
69.03438	1.6
69.07076	6.6
69.19979	2.9
69.20390	2.8
76.68694	0.8
79.05498	16.4
80.05018	1.0
81.03422	2.7
81.07059	84.3
82.06596	1.1
82.07381	4.3
91.05479	10.7
92.05013	1.6
93.07040	9.1
94.04192	7.1
94.06583	1.6
95.04978	3.6
95.08609	100.0
96.04495	2.6
96.08929	4.2
97.25041	0.9
98.23450	0.9
101.73748	1.0
107.04964	1.8
107.08566	1.8
108.09439	1.0
109.05306	0.8
109.06512	2.7
109.07650	2.1
109.10140	9.1
110.01440	1.5
110.06046	4.7
119.04946	2.0
119.06073	1.0
119.08569	1.1
120.04488	2.4
121.06499	5.0
122.03658	8.7
122.07305	8.2
137.02521	18.3
137.03557	1.6
137.05853	14.7
137.08031	1.1
137.09622	12.6
137.10626	1.4
137.13235	8.1
138.01756	8.9
138.05528	12.0
138.06465	2.0
138.09117	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03937	3.1
55.05514	7.4
57.07082	13.6
65.03939	2.9
67.05506	31.9
69.07063	8.0
69.82330	2.3
79.05492	13.6
81.07057	83.5
82.07416	4.7
91.05482	3.1
92.05034	1.1
93.07036	8.9
94.04189	1.0
94.06577	1.2
94.07454	0.9
95.08608	100.0
96.04489	2.0
96.08939	5.8
107.08592	1.1
109.10158	10.7
110.06054	0.9
111.02590	0.9
113.03692	0.9
120.04473	2.7
121.06535	2.7
122.03631	2.5
122.07291	1.6
137.02515	8.6
137.04706	1.5
137.05980	3.7
137.09628	2.8
137.10603	1.1
137.13229	10.8
138.01718	4.6
138.05513	7.0
138.09122	1.2
150.01085	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	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03940	1.0
53.13649	0.7
55.05513	6.9
57.07080	13.2
65.03938	1.3
67.05507	31.0
69.07064	6.7
69.50418	3.9
79.05492	9.8
81.07058	67.8
82.07380	3.1
91.05473	2.0
93.07043	7.7
94.04173	1.3
94.07398	0.9
95.05022	0.7
95.08610	100.0
96.08939	4.3
104.51550	0.6
107.08601	0.9
108.09392	0.9
109.10162	9.3
115.61116	0.7
120.04508	0.9
122.03667	0.9
122.10944	0.8
137.02484	2.0
137.05988	1.3
137.13254	9.3
138.05473	1.6
138.09171	1.1
138.13640	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	137.1326
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02380	0.7
53.03945	2.9
54.11474	0.7
55.05511	6.4
57.07074	15.5
65.03944	2.2
66.04723	1.0
67.05506	32.4
68.05843	1.3
69.07076	6.9
69.64678	3.3
79.05497	9.5
81.03410	1.0
81.07059	40.3
82.07393	1.7
91.05481	11.3
92.05008	1.5
93.07053	9.1
94.04196	6.9
95.05000	4.9
95.08609	100.0
96.04498	1.1
96.08925	5.1
107.04977	0.8
107.08588	2.1
108.09430	1.3
109.06526	2.4
109.10165	11.9
110.06064	1.8
119.04999	1.5
119.08595	1.5
120.04466	3.4
121.06531	2.1
122.03666	8.3
122.07301	3.0
123.03993	1.3
137.02501	7.2
137.05914	13.1
137.09616	7.9
137.13232	11.2
138.01738	2.0
138.05496	6.6
138.06398	0.9
138.13625	0.9
153.51738	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	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93143	0.2
53.03935	1.0
55.01872	0.6
65.03619	0.3
65.03945	4.6
67.05505	1.3
67.44038	0.3
68.05032	0.5
68.99508	0.2
68.99801	2.7
69.03414	0.9
69.60999	1.2
70.06583	0.4
78.03450	1.0
79.04250	0.2
80.05021	0.3
81.04567	0.4
81.07000	0.3
82.06577	0.3
83.04961	0.5
83.06118	0.3
91.05486	2.8
91.63312	0.2
91.67059	0.2
92.05005	5.1
92.05811	6.3
93.03402	2.0
93.04559	0.3
93.05803	1.2
93.07036	2.9
93.34409	0.3
94.06570	21.1
95.01335	0.3
95.04977	0.6
95.06901	1.0
96.04495	5.1
98.98473	0.5
103.05480	1.8
110.06048	18.6
111.00755	0.5
111.04448	7.8
111.05263	0.4
111.05592	0.6
111.06369	0.6
112.03907	0.3
120.04437	0.7
120.05293	1.7
121.02906	1.3
121.03999	0.8
121.06509	16.2
122.06836	1.2
137.90959	0.3
138.01840	1.9
138.05501	100.0
139.03906	1.0
139.04929	0.5
139.05844	4.8
139.07533	0.4
139.08644	0.3
139.11218	0.4
148.71326	0.2
154.04962	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	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03947	0.6
53.47200	0.3
55.01871	0.4
65.03933	1.5
67.04240	0.3
67.05499	1.2
68.05022	1.2
68.05847	0.3
69.03437	0.8
69.07079	0.4
71.18472	0.4
78.03462	5.9
79.04232	1.7
79.05492	0.5
79.19217	0.2
80.05042	1.5
81.07052	0.4
82.06571	0.5
83.04976	0.6
91.05478	0.8
92.05016	0.9
93.03396	0.4
93.05771	0.7
93.07041	1.6
94.06571	2.1
95.04990	0.5
95.08607	0.6
96.04498	22.9
97.04830	1.0
97.06519	0.4
97.10429	0.3
98.98452	0.3
106.02920	0.4
108.03791	0.4
108.04493	5.2
109.05301	0.6
110.06046	2.4
111.03201	1.5
111.04424	1.7
111.51559	0.3
114.45065	0.3
119.73901	0.3
119.84259	0.3
120.04486	0.8
121.02881	0.4
121.06516	2.5
122.03220	0.4
123.03996	0.4
123.07632	0.3
124.03958	5.4
136.03972	0.3
138.01871	1.9
138.05508	100.0
139.03946	2.4
139.05861	5.2
139.07562	1.3
139.11186	0.7
154.05003	0.8
155.08382	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.58955	0.2
51.02373	0.2
53.03937	0.8
55.64234	0.2
62.84180	0.2
63.78620	0.2
65.03944	1.8
67.05517	1.3
70.10138	0.2
70.10472	0.6
78.03473	1.1
79.04220	0.6
91.05466	1.0
92.05009	9.4
92.05799	1.5
93.05287	0.4
93.05789	1.3
93.07053	1.1
94.06571	24.3
95.06913	0.6
96.04491	3.8
103.05466	0.8
110.06047	15.2
111.04454	0.2
111.06376	0.7
120.05314	0.5
121.06511	5.2
122.06839	0.3
136.04001	0.4
138.05502	100.0
139.04956	0.2
139.05876	3.8
154.04956	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	139.0391
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.00301	0.6
55.01871	0.7
55.05500	0.3
56.17663	0.2
56.19456	0.2
56.96566	4.4
65.03942	10.6
66.04279	0.3
67.05503	0.7
68.99794	0.5
69.03420	0.8
69.07060	0.3
70.06638	0.2
70.58979	0.5
71.95267	1.2
75.49054	0.2
79.01868	0.2
80.02616	0.2
83.04987	0.5
83.06082	0.4
93.03410	3.3
94.34422	0.2
95.04974	0.8
97.02906	0.7
98.03666	0.5
98.06033	0.2
98.97586	15.0
111.04444	3.2
112.07627	0.5
116.97272	0.5
116.98622	9.5
121.02869	100.0
121.03885	4.1
122.03201	5.5
122.04282	0.4
125.02343	0.7
134.99654	3.7
139.03911	8.2
139.05003	0.4
139.12344	0.2
140.04359	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	139.039
Annotation	2,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.00312	20.4
53.03943	0.5
54.00632	0.7
55.01861	1.0
55.05509	0.8
56.35437	0.2
56.96578	1.6
64.96993	0.2
65.03944	20.5
66.04275	0.9
67.01886	0.6
67.05505	0.8
68.99787	2.1
69.03435	0.5
69.38391	1.5
69.62140	0.2
71.01351	0.3
71.95258	0.3
83.04984	1.6
93.03419	3.8
97.02902	2.0
98.97591	5.7
111.04450	6.0
112.04781	0.3
116.98640	3.5
121.02872	16.6
122.03194	1.0
125.02346	3.2
134.99666	1.1
139.03906	100.0
140.04225	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	139.0388
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
51.02383	0.4
53.03955	1.7
55.01875	7.9
55.05511	4.1
56.96568	3.4
65.03942	11.5
67.01867	2.7
67.05513	2.3
67.38216	0.4
68.99795	9.7
69.03434	3.1
70.00119	0.4
70.06100	0.6
71.01344	1.4
71.95269	1.3
83.04984	8.6
93.03401	5.4
95.04974	2.6
97.02888	3.4
98.97584	12.4
111.04443	32.1
112.04796	1.2
116.98627	7.7
121.02873	2.1
121.04007	0.7
125.02345	0.4
134.99634	3.3
139.03902	100.0
140.04230	5.0
147.62535	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03946	5.2
55.01891	6.4
55.05523	9.5
55.61741	1.2
55.69382	1.1
56.96571	3.0
58.12976	1.3
65.03946	100.0
66.04270	2.8
67.05508	2.8
68.02633	2.2
68.99796	30.5
69.03432	5.7
69.04974	10.4
79.01855	3.0
81.03430	17.5
83.04984	18.8
93.03419	12.7
95.04984	7.2
96.02107	9.3
97.02907	1.6
98.23320	2.0
98.97594	12.8
98.98211	1.6
109.02846	1.7
111.04451	96.8
112.04792	4.3
116.98641	7.0
121.02875	4.9
121.04002	13.6
125.02335	1.7
134.99580	1.3
139.03902	7.5
139.05853	1.3
146.45515	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	139.0391
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
50.98506	0.3
51.02377	1.5
53.03951	15.5
54.04300	0.3
55.01870	1.6
55.82729	0.3
56.96574	2.9
65.03615	0.6
65.03943	7.4
65.04279	0.4
67.05509	3.7
68.99784	0.8
69.03418	0.7
70.37980	0.8
71.95266	0.8
77.03941	2.3
79.01840	0.4
81.03412	1.9
83.04998	0.4
91.05472	0.4
93.03416	1.6
93.07063	0.6
94.06570	0.5
95.04971	100.0
96.05293	5.2
98.97585	11.0
105.04520	7.8
111.04452	4.7
112.07574	0.4
116.98621	7.2
121.02871	59.5
121.03947	5.2
122.03223	3.6
122.06045	0.6
122.06819	0.4
125.02389	0.5
134.99658	2.8
139.03903	11.9
140.03386	0.4
140.07088	0.7
143.19914	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	139.0754
Annotation	4-Ethoxyphenol
Peak:m/z	Relative Intensity
53.00310	14.6
53.03943	5.7
53.41291	0.8
55.01860	3.5
55.05506	2.1
56.96581	5.6
60.08496	0.7
65.03939	25.2
66.04268	0.8
66.04722	1.3
67.01861	2.7
67.05501	4.9
67.09595	0.8
68.99794	5.0
69.03423	2.6
69.07108	1.0
70.95575	1.5
71.95235	1.9
73.43731	0.7
74.84064	0.7
77.06053	0.9
78.04716	4.2
79.05483	3.9
81.03408	6.7
83.04984	5.3
92.02627	3.1
93.03005	0.7
93.03421	8.1
93.07050	1.9
94.04185	10.6
95.04979	11.2
96.04462	1.2
96.05758	22.0
97.02910	1.3
97.04830	1.7
97.06553	1.2
98.97579	20.9
99.72306	0.9
105.04498	2.2
107.04975	1.0
108.05733	25.7
109.02883	7.2
109.06513	3.2
111.04445	16.6
116.98619	13.9
121.02875	11.2
123.04435	1.1
124.05210	47.8
125.05971	3.0
129.19682	0.9
134.99648	5.3
135.05545	1.6
139.03903	100.0
139.05807	7.9
139.07532	52.5
140.04234	5.9
140.07878	2.4
145.49995	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.00303	5.7
53.03939	5.3
53.04703	2.0
54.61460	2.0
55.01865	3.7
55.05510	19.1
55.27367	2.0
56.96569	28.7
57.03427	9.0
57.07076	12.1
59.04995	15.9
65.03942	13.5
67.05502	16.8
68.05029	2.7
69.03426	65.0
69.07063	19.5
70.06593	3.7
71.04987	3.4
71.95258	11.1
71.99378	2.1
79.05489	26.4
80.05836	2.8
80.43784	2.3
81.07056	21.8
83.04980	29.6
83.08629	2.2
84.04484	2.2
88.75050	2.0
91.05462	10.9
93.03410	3.3
93.07044	55.2
94.06598	2.5
94.07363	2.7
95.04955	8.3
95.08603	47.6
95.09169	4.5
96.08933	3.2
97.06522	46.4
98.06873	3.2
98.97585	100.0
103.05472	3.3
105.07022	19.9
109.06509	2.9
110.07281	3.4
111.04442	15.8
111.05579	2.9
111.08071	11.7
111.58546	2.3
116.98618	76.6
121.02865	5.5
121.03987	2.7
121.10141	58.0
122.06004	3.3
122.10478	7.4
123.08097	3.6
133.07576	2.4
134.99663	47.9
139.03917	30.9
139.04893	3.1
139.05833	2.7
139.07562	3.6
139.11177	70.4
140.00186	2.4
140.03365	3.0
140.04347	3.0
140.07019	4.7
140.11511	4.4
153.00708	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	139.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	5.7
53.03939	5.3
53.04703	2.0
54.61460	2.0
55.01865	3.7
55.05510	19.1
55.27367	2.0
56.96569	28.7
57.03427	9.0
57.07076	12.1
59.04995	15.9
65.03942	13.5
67.05502	16.8
68.05029	2.7
69.03426	65.0
69.07063	19.5
70.06593	3.7
71.04987	3.4
71.95258	11.1
71.99378	2.1
79.05489	26.4
80.05836	2.8
80.43784	2.3
81.07056	21.8
83.04980	29.6
83.08629	2.2
84.04484	2.2
88.75050	2.0
91.05462	10.9
93.03410	3.3
93.07044	55.2
94.06598	2.5
94.07363	2.7
95.04955	8.3
95.08603	47.6
95.09169	4.5
96.08933	3.2
97.06522	46.4
98.06873	3.2
98.97585	100.0
103.05472	3.3
105.07022	19.9
109.06509	2.9
110.07281	3.4
111.04442	15.8
111.05579	2.9
111.08071	11.7
111.58546	2.3
116.98618	76.6
121.02865	5.5
121.03987	2.7
121.10141	58.0
122.06004	3.3
122.10478	7.4
123.08097	3.6
133.07576	2.4
134.99663	47.9
139.03917	30.9
139.04893	3.1
139.05833	2.7
139.07562	3.6
139.11177	70.4
140.00186	2.4
140.03365	3.0
140.04347	3.0
140.07019	4.7
140.11511	4.4
153.00708	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60801	1.7
69.75955	5.1
69.76369	3.4
82.99844	3.4
100.02467	5.5
101.00880	39.5
118.03519	15.4
119.01924	100.0
120.02066	4.3
136.04541	10.3
137.02974	18.0
142.03488	20.8
143.03493	2.2
160.04547	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76766	1.7
66.03480	2.0
69.03437	2.2
69.29225	4.4
69.29633	7.9
71.53515	1.6
82.99856	2.6
88.54285	2.0
90.30121	1.5
100.02460	4.0
101.00889	36.9
107.51362	1.8
114.05520	4.3
118.03535	11.4
119.01925	100.0
120.02034	3.2
125.07189	2.6
136.04578	6.4
137.02957	21.0
142.03487	13.2
142.05048	4.7
142.08740	2.0
143.03429	7.9
156.72351	1.6
160.04582	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
50.38473	1.4
52.40192	1.2
53.03948	1.8
55.01866	2.8
55.05515	21.1
56.05038	1.9
56.05872	1.4
57.03440	1.3
57.07080	19.7
58.02983	1.5
58.58537	1.5
59.05006	3.1
60.04525	1.2
60.95856	3.2
62.37814	1.3
67.05509	9.0
67.75553	1.3
69.03430	9.0
69.07076	2.6
70.06596	5.0
70.90067	2.1
71.04999	100.0
72.05338	3.9
73.06561	14.2
79.05502	4.5
80.05026	1.6
81.07065	3.8
83.04982	10.3
83.08622	12.6
84.04503	3.2
84.08179	1.3
85.02905	1.7
85.06551	46.5
86.06898	2.2
91.05501	1.4
96.04530	2.0
96.12508	1.5
97.00806	1.3
97.02913	2.2
97.10168	14.9
98.06060	14.3
101.95045	6.2
102.96874	6.7
105.07062	2.7
107.08600	36.9
108.08993	1.2
119.96111	2.5
120.02010	2.4
120.28693	1.1
120.97928	4.0
121.00807	2.4
121.01681	1.3
122.53211	1.3
125.09640	27.0
126.05548	5.6
126.09966	2.0
128.06238	6.2
137.97185	1.9
138.98932	3.1
139.01765	6.4
143.03441	7.4
143.08455	1.7
143.10645	8.8
144.04799	2.3
144.06555	8.4
144.08073	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05520	22.6
56.05054	2.9
57.07085	21.4
59.05005	3.9
60.95870	2.7
65.03933	4.3
67.05496	9.0
69.03435	10.8
70.06599	7.2
71.05000	100.0
73.06561	11.7
79.05493	5.2
81.07039	4.3
83.04974	10.1
83.08626	12.5
84.04518	3.7
85.06156	3.4
85.06554	41.5
87.78375	3.0
90.82098	2.5
96.04505	4.9
97.02911	5.2
97.10195	13.6
98.06068	26.7
101.95025	10.4
102.96876	9.9
107.08600	32.7
108.04456	4.3
119.96066	3.8
120.97913	10.6
125.09637	29.3
126.05517	9.5
128.06229	10.2
137.97142	4.1
138.98959	6.7
139.01826	12.9
143.03426	12.8
143.10680	7.3
144.04778	5.2
144.06705	13.9
144.08054	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.2
55.05511	25.9
57.07082	17.4
57.44101	2.6
58.02967	3.0
59.05007	4.2
60.95855	6.3
64.70753	2.5
65.03961	3.0
67.05519	8.8
68.05038	2.6
69.03438	6.0
69.07065	3.6
69.24869	11.4
69.25274	4.1
70.06599	11.0
71.05002	100.0
72.04524	3.9
73.06559	16.3
78.99768	3.7
79.05505	6.4
80.05030	3.2
81.03429	3.5
81.07066	5.2
83.04998	8.0
83.08625	10.7
84.04512	6.8
85.06551	40.4
86.02420	3.6
91.05476	3.9
96.04527	4.3
97.00826	6.0
97.02916	2.8
97.10175	10.0
98.06063	31.4
101.95055	4.8
102.96904	14.9
103.05490	2.9
107.08605	32.8
115.05471	5.6
119.01978	2.7
119.96069	3.2
120.01983	4.3
120.97910	13.9
121.00809	5.7
123.34440	3.2
125.09647	20.5
126.05534	11.2
128.06242	34.8
129.06483	3.5
137.12746	3.1
137.97133	5.0
138.98984	10.9
139.01808	15.5
143.03442	11.6
143.05296	2.9
143.08598	8.1
143.10706	8.5
144.04599	4.6
144.05608	4.4
144.06537	14.2
144.08095	27.6
145.06508	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	143.1068
Annotation	trans-2-Hexenyl acetate
Peak:m/z	Relative Intensity
53.03941	1.7
55.01880	3.5
55.05516	60.0
56.05848	1.2
57.07067	1.7
59.05000	5.6
67.05502	1.1
68.99776	0.6
69.03066	1.0
69.03426	6.8
69.07071	5.6
69.54247	3.3
70.06595	1.2
71.05010	3.2
73.06523	0.6
74.07845	0.6
79.05470	1.3
81.07062	2.5
83.04988	1.7
83.08623	100.0
84.08949	3.7
85.06543	1.5
97.00809	0.7
97.02888	2.6
97.10178	20.2
98.06048	3.4
98.10507	1.2
101.05997	1.0
101.09677	2.5
102.96858	1.4
107.08587	3.1
120.97901	1.6
121.00823	0.9
125.02366	1.0
125.09641	2.1
126.05490	0.8
128.06221	2.0
139.01820	1.2
143.03401	1.9
143.08607	1.0
144.06557	1.4
144.08110	6.2
144.10187	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	23.0
57.07082	18.2
59.05005	4.0
60.95855	3.1
67.05511	8.2
69.03430	10.2
69.07070	4.8
69.39704	3.0
69.40112	7.5
70.06590	3.6
71.04996	100.0
72.05335	2.5
73.06562	13.9
79.05501	5.3
81.03409	2.4
81.07055	3.5
81.97166	1.6
83.05004	9.9
83.08627	11.4
84.04489	2.6
85.06546	48.5
91.05441	2.4
96.13438	1.7
97.02915	1.6
97.10168	14.3
98.06045	11.0
101.95060	2.6
102.96883	4.3
105.54507	2.0
107.08594	40.9
108.08962	2.1
109.92610	1.9
115.05479	2.1
119.01926	2.4
120.97916	4.0
125.09643	27.7
126.05513	3.5
126.10041	2.9
128.06229	17.4
133.01910	1.9
139.01816	3.7
143.03423	7.3
143.08510	2.4
143.10672	8.5
144.06612	3.8
144.08115	11.5
144.09048	2.0
152.73950	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03959	2.2
55.01875	2.2
55.05519	22.5
57.07082	20.4
57.71180	2.0
58.07430	2.3
67.05505	7.5
69.00345	2.0
69.03439	7.4
69.07069	4.6
69.28339	13.2
70.06602	3.8
71.05000	100.0
72.66827	2.0
73.06558	14.4
79.05509	4.4
81.07072	8.9
83.04986	13.8
83.08627	12.4
84.04522	3.2
85.06551	51.7
91.05481	3.6
97.00813	2.4
97.02869	3.6
97.10184	12.8
98.06050	13.9
102.96897	5.8
107.08604	44.5
107.09288	3.0
108.08949	3.4
109.02790	2.2
110.19815	2.0
120.97923	4.4
125.02379	2.6
125.09638	28.7
126.05548	2.5
128.06233	13.5
138.98994	2.1
139.01855	2.6
143.03395	5.3
143.10712	7.7
144.06578	3.6
144.08128	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05522	22.4
57.07080	20.6
59.04995	2.8
60.95860	2.2
65.03943	2.1
66.72662	1.8
67.05503	10.1
69.03425	7.7
69.07048	2.7
70.06602	4.6
71.04999	100.0
71.30551	2.9
72.05346	2.6
73.06548	8.9
79.05460	4.9
81.07058	5.3
81.88506	1.9
83.04984	10.0
83.08621	7.8
85.06548	46.3
91.05480	4.2
96.04514	2.5
97.00853	2.5
97.02877	2.6
97.10175	11.5
98.06074	14.4
101.95052	5.7
102.96879	7.1
107.08606	34.3
115.05441	2.2
120.97894	5.4
121.00825	3.0
125.02431	2.1
125.09650	25.5
128.06223	12.8
138.98999	2.5
139.01851	5.5
142.69063	2.2
143.03427	7.9
143.08565	2.8
143.10666	7.4
144.06580	5.9
144.08092	10.0
161.84309	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91676	0.9
53.03946	1.3
53.10525	0.9
55.01871	2.6
55.38577	0.9
56.05033	1.6
57.03447	1.8
58.02975	1.7
58.06610	1.4
60.95860	1.9
60.98735	2.3
61.18304	1.0
62.92996	2.0
66.86800	1.0
69.03436	5.7
70.06596	3.9
70.73905	2.0
71.04997	3.3
71.65090	0.9
72.04524	1.5
78.99786	3.4
80.05000	1.6
81.03421	2.3
84.04504	3.6
84.08167	1.1
84.99583	0.9
85.02914	9.9
96.04483	1.8
97.00828	6.5
97.02910	3.7
98.06062	11.0
98.97591	1.2
99.04446	7.1
101.00907	2.4
102.00948	9.2
102.05542	1.1
102.96869	3.8
103.00644	15.7
103.01283	1.7
103.05457	1.0
108.04477	1.1
111.65067	0.9
115.05492	1.1
116.98591	1.6
117.07056	1.0
119.01929	15.8
120.02039	59.5
120.03286	11.4
120.97926	4.2
121.00809	8.4
121.01665	100.0
121.96607	5.5
126.05541	3.8
127.03931	1.9
134.99637	1.2
137.02963	6.2
138.03085	30.8
138.04323	13.1
138.98953	4.1
139.01804	19.8
139.02734	47.6
143.03606	2.0
144.03218	16.7
144.04739	1.8
144.05656	1.4
144.06604	5.8
144.08078	9.7
144.10181	3.2
145.03645	1.2
145.05055	1.5
162.04303	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	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03947	0.4
55.01871	0.5
55.05502	0.5
56.05053	0.3
57.03431	0.7
58.02961	0.3
58.06613	0.2
61.02914	0.2
63.02352	0.2
65.03939	0.3
66.00736	0.2
67.04230	0.2
69.03436	1.5
70.06590	0.6
71.04995	0.4
71.28307	0.3
74.06075	0.3
77.03886	0.2
78.99786	0.2
79.05473	0.7
80.05003	0.2
81.03406	0.6
81.07054	2.1
83.01311	0.2
83.04991	0.3
84.04512	0.6
85.02911	3.1
85.06547	0.7
89.03921	2.8
91.05481	4.7
91.06017	0.4
95.04965	0.4
96.04468	0.3
97.00807	0.2
97.02896	1.2
98.06054	2.0
99.04448	0.6
102.05565	0.3
102.96885	0.4
103.05467	3.6
104.05003	0.4
105.07043	0.7
109.02864	0.4
109.06502	0.6
115.05458	9.8
116.04958	0.6
116.06306	0.5
117.03365	0.9
117.05804	3.2
117.07021	23.3
118.06537	2.1
118.07371	1.1
121.00764	0.3
121.96661	0.4
126.03728	0.2
126.04637	0.2
126.05508	0.6
127.03920	0.3
127.05438	1.1
128.04979	2.2
128.06181	0.9
129.05753	0.3
130.07695	0.4
134.05997	0.5
139.01845	0.7
142.06506	0.9
143.07307	20.5
144.08087	100.0
145.06557	3.9
145.08438	7.8
145.10168	0.5
146.06010	0.8
155.06047	6.2
156.06380	0.5
160.07538	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	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01871	1.9
55.05516	0.6
57.03431	1.8
61.02920	1.7
62.92983	1.5
63.02377	4.6
67.05493	1.5
69.03426	6.0
71.04990	1.8
71.28951	0.8
72.08152	2.3
79.05494	1.1
81.03414	2.3
82.06587	1.0
83.04966	0.5
85.02911	11.2
86.06046	0.9
86.09687	0.8
89.03918	100.0
90.04253	4.8
91.05484	6.6
97.02853	2.5
99.04450	3.5
100.07587	1.1
103.05500	1.2
104.04990	1.1
105.07025	8.7
109.02879	0.6
113.90810	0.5
115.05411	3.4
116.06298	0.8
117.03380	47.4
117.05721	1.1
117.07022	6.9
118.03729	2.1
118.06535	3.9
118.07337	1.1
121.82751	0.6
121.96644	2.2
123.29070	0.5
127.04011	0.7
128.04968	2.6
128.06230	1.2
128.07065	0.8
129.04517	0.6
129.07045	2.6
130.07780	4.7
130.09317	0.5
135.04408	0.6
143.08562	1.2
144.07658	0.9
145.02859	1.2
145.05283	0.5
145.06531	1.3
145.07469	0.8
145.08508	5.1
145.10104	9.7
146.06006	33.9
146.07962	1.2
146.10474	0.8
155.06017	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	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03956	10.2
54.19181	1.6
55.01879	14.1
55.05507	6.7
56.05023	2.4
57.03443	19.8
59.05000	3.5
60.05652	3.7
60.08153	1.8
61.02925	7.2
69.03436	69.8
69.07920	8.8
71.01365	4.1
71.05011	9.8
72.08150	7.6
73.02901	2.8
80.21273	1.6
81.03419	13.1
82.06544	3.0
83.01351	4.3
83.04996	3.9
84.08138	4.8
85.02911	100.0
86.03207	2.8
86.06068	15.7
86.09723	15.2
87.00815	2.2
87.04468	17.9
89.03911	2.2
91.05505	3.3
97.02901	30.1
98.09705	2.0
99.04462	24.5
99.06379	4.4
99.10040	11.5
100.07597	5.3
101.06017	2.8
103.00608	3.5
104.07145	2.0
109.02869	3.3
110.06046	1.7
117.03372	2.2
118.06551	5.4
121.01671	13.4
125.05888	1.7
127.03894	9.4
128.04956	7.0
139.02713	3.6
145.04924	2.3
145.07666	2.0
145.10632	1.7
146.06020	50.2
146.08113	4.2
146.09265	5.3
156.79961	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	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03951	0.4
54.96215	0.3
55.01886	1.0
56.04263	0.3
56.05068	0.3
57.03453	1.0
57.27864	0.3
58.06608	0.6
62.93002	0.4
63.68406	0.3
69.03423	2.0
69.07040	0.3
69.66904	1.2
71.01363	0.5
71.04991	1.6
72.08157	4.2
81.03423	1.0
84.04523	0.5
84.08172	0.6
84.99633	0.8
85.02909	4.0
86.09721	1.3
91.05505	0.9
97.02905	0.9
99.04459	4.0
100.07633	0.5
101.00901	1.6
102.00975	0.4
103.00638	15.3
103.01251	0.8
103.02503	0.5
104.00988	0.9
105.07043	0.4
112.11257	1.0
115.03914	0.4
115.05334	0.3
117.07017	0.5
118.06555	0.9
119.01933	10.7
120.02015	2.9
120.03275	0.7
121.01672	100.0
121.96635	0.8
122.01965	3.3
123.02059	0.5
126.02178	0.4
127.03927	1.1
128.04919	0.3
137.02962	5.9
138.03081	1.5
138.04330	0.5
139.02699	52.3
140.03006	1.4
144.03210	2.1
145.03574	1.8
145.05028	0.5
145.07626	0.4
146.06023	3.5
146.08102	1.2
162.04327	1.0
163.01938	0.4
163.04640	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	145.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
57.03424	1.4
67.05503	1.9
69.03429	2.2
70.61567	3.3
71.05002	1.7
79.05494	2.9
81.03446	1.4
82.06573	1.5
85.02919	3.5
89.03923	4.0
91.05488	30.2
99.04466	1.2
100.07615	1.9
103.05477	5.7
105.07036	86.9
106.07354	4.0
115.05466	16.3
116.06226	3.7
117.03391	2.0
117.07022	38.6
118.06599	2.5
118.07326	2.2
128.06216	8.8
128.07060	2.4
129.07016	14.3
130.07805	59.5
131.08096	3.5
143.08594	9.8
145.06519	3.1
145.10132	100.0
146.06032	10.6
146.08151	2.7
146.10439	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
57.03423	1.1
59.95394	0.7
62.92995	3.8
65.03938	1.4
67.05504	2.5
69.00957	7.5
72.08144	0.9
75.73626	0.6
79.05499	4.1
81.03407	0.7
85.02909	1.5
91.05486	29.3
95.04943	0.8
103.05477	7.0
105.07037	90.0
106.07374	5.4
115.05452	15.5
116.06286	5.0
117.07029	45.2
118.06548	2.1
118.07371	2.9
121.96643	4.0
128.06253	9.0
128.07100	1.3
129.07025	18.1
130.07800	52.8
131.08112	4.8
143.08566	11.4
145.10133	100.0
146.06013	7.0
146.08067	1.2
146.10489	7.4
155.06038	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
57.03426	2.1
61.02914	1.1
62.92984	2.6
67.05501	9.3
69.01695	5.6
69.02123	4.1
69.03442	6.2
71.04997	1.5
72.08131	1.2
79.05499	5.5
81.03438	1.9
85.02898	10.2
89.03916	2.8
91.05485	34.3
92.05780	2.0
97.02887	3.3
99.04446	2.6
103.05466	7.0
105.07033	72.7
106.07354	3.6
115.05464	21.7
116.06220	5.3
117.03444	1.7
117.07022	64.6
118.07338	4.0
121.96659	1.7
128.04958	1.9
128.06224	10.8
128.07045	2.0
129.07019	14.3
130.07794	54.3
131.08115	3.0
135.82690	1.3
136.61192	1.2
143.08571	8.8
145.06477	4.5
145.10124	100.0
146.05983	7.6
146.08104	1.6
146.10464	8.8
155.06010	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30362	0.9
62.92988	5.7
66.73478	0.9
67.05491	1.0
68.05022	1.1
69.03436	1.4
72.08168	1.4
79.05499	3.0
82.06570	1.7
84.25585	1.1
85.02895	2.9
86.03523	1.1
86.06055	1.6
91.05479	15.2
93.75264	1.0
98.22637	3.8
100.07594	2.4
103.05464	4.5
105.07040	91.6
106.07376	3.0
110.01363	1.2
115.05466	9.0
116.06274	2.5
117.07034	26.7
118.06556	1.9
118.07336	2.1
121.96642	7.7
128.04984	1.4
128.06223	6.6
129.07018	13.6
130.07797	50.1
131.08107	4.1
143.08565	12.1
145.06541	2.1
145.10130	100.0
146.06023	12.2
146.08118	3.7
146.10458	6.5
155.06078	1.1
157.31779	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	146.0601
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
51.02399	0.2
51.59550	0.1
53.00312	0.3
53.03952	1.2
59.71316	0.1
63.88284	0.1
65.03938	0.3
69.18107	1.0
69.18503	0.3
72.08045	0.2
72.62244	0.2
77.03919	0.5
82.59003	0.2
85.53347	0.1
91.05481	4.6
94.06573	0.3
95.04960	1.4
104.05000	4.1
105.03383	0.2
105.04497	0.4
117.05779	1.3
118.06554	3.7
119.04979	0.2
119.06867	0.2
128.04970	2.3
128.68910	0.2
146.06012	100.0
147.06371	6.0
149.77457	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	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.03928	2.4
70.62007	0.7
70.62337	0.5
72.08141	1.0
84.04507	1.1
91.05483	23.3
101.03900	0.5
111.48544	0.4
113.46443	0.5
117.05767	1.1
118.06556	3.6
119.04943	19.8
128.04967	52.5
129.04475	1.5
129.05331	2.3
135.78645	0.4
146.06009	100.0
147.04442	7.1
147.06314	5.4
161.30772	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	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
51.85788	0.5
58.25835	0.6
65.03934	0.7
70.54807	0.5
70.67491	1.3
72.08150	1.1
82.17175	0.5
84.04482	0.7
91.05482	29.2
92.05817	0.8
117.05766	6.6
118.06544	100.0
119.04955	2.0
119.06907	5.7
128.04977	1.9
140.67075	0.5
146.06017	14.1
147.04446	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	146.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67319	0.2
53.00299	0.3
53.03951	1.1
61.45538	0.1
65.03941	0.2
69.18282	1.1
77.03921	0.4
80.55546	0.2
91.05485	5.3
92.05783	0.2
94.06571	0.4
95.04957	1.2
104.05001	3.5
105.04526	0.6
105.05276	0.2
117.05762	1.2
118.06553	4.5
119.04940	0.5
119.06868	0.2
128.04964	2.4
129.05284	0.2
146.06013	100.0
147.06357	6.2
162.05768	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	146.0601
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.03940	2.6
66.50315	0.5
69.46314	0.8
69.46722	1.5
72.08148	1.1
77.03922	0.6
82.06584	0.5
87.79016	0.4
91.05486	33.6
95.05002	0.8
103.05460	1.0
105.07027	1.9
109.57031	0.4
117.05768	0.8
117.06964	0.6
118.06554	4.3
118.07336	0.6
119.04949	23.2
119.08582	2.3
126.04472	0.4
128.04971	37.0
129.04477	1.3
129.05327	2.1
142.58401	0.4
146.06013	100.0
146.79149	0.4
147.04446	7.6
147.06348	6.1
147.07626	0.4
147.08054	0.5
164.66934	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	146.0601
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
53.03948	0.8
55.05500	0.4
60.50138	0.4
65.03941	0.8
71.04993	0.6
71.29763	0.3
72.08154	1.4
75.50118	0.3
77.03932	0.5
79.05471	0.5
82.06590	0.4
84.04508	1.3
85.02893	0.5
86.06075	0.6
86.09722	0.6
91.05488	9.3
92.05810	0.4
95.04984	1.1
100.07578	0.4
103.05442	0.6
105.04512	0.4
105.07049	2.4
106.07375	0.5
112.11304	0.3
117.05765	1.0
117.07032	1.7
118.06545	4.5
119.04959	2.9
119.07801	0.4
119.08599	5.2
128.04971	51.6
129.04465	2.0
129.05313	3.0
130.04976	0.3
132.05731	0.5
146.06015	100.0
147.04411	1.0
147.06354	6.3
147.08037	1.8
147.11674	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	146.0601
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
53.00305	0.4
53.03946	1.5
55.05515	0.7
64.92793	0.3
65.03941	1.9
69.07092	0.3
72.04517	0.3
72.08142	0.8
77.03926	0.4
79.05491	0.6
81.03439	0.3
82.06564	0.3
84.04508	0.3
86.06084	0.4
89.03982	0.3
91.05482	24.1
92.05804	0.3
93.07019	0.4
94.06507	0.3
95.04461	0.3
95.04969	1.7
100.07603	0.4
103.05449	0.6
104.04995	3.7
105.04505	0.7
105.07028	5.3
106.07355	0.6
107.04973	0.4
107.08601	0.6
116.06289	0.3
117.05768	1.5
117.07021	1.6
118.06555	6.1
118.07333	0.5
119.04950	13.7
119.06827	0.5
119.08581	8.0
123.96512	0.3
128.04959	4.2
129.05377	0.2
129.07036	0.4
131.08188	0.4
132.09369	0.4
135.47487	0.2
145.10085	0.5
146.06009	100.0
146.10474	1.5
147.04446	6.0
147.06355	6.5
147.08165	1.2
147.09166	0.6
147.11679	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	146.0601
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
52.53172	0.6
53.03939	0.9
53.06431	0.6
55.05516	16.5
56.05026	2.2
57.03424	0.7
58.06602	0.7
59.05001	3.5
60.05374	0.9
60.05651	9.2
60.08156	0.7
64.01189	0.6
65.03925	1.9
68.05019	1.3
69.01485	6.3
69.03442	4.9
69.07069	1.0
71.04985	0.9
72.08155	3.3
77.03951	0.7
81.03431	1.1
82.06589	1.5
83.04993	7.4
83.06094	1.4
84.04509	5.0
84.07633	0.9
84.08147	26.5
86.06073	38.0
87.04472	41.4
88.04805	1.3
91.05482	27.2
92.05839	1.0
95.04965	1.8
100.07626	1.5
101.06023	11.9
103.05481	2.4
104.05060	0.9
104.07115	7.5
104.90819	0.8
110.06070	0.7
111.05545	3.9
117.05752	3.2
118.06550	16.9
119.04951	12.6
119.05824	1.2
128.04973	65.1
128.08165	3.1
128.10699	2.5
129.04483	2.4
129.05356	3.5
130.05002	1.3
130.08640	2.4
146.06015	100.0
146.09192	12.5
146.11737	5.4
147.04492	5.3
147.05373	1.1
147.06403	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	146.0925
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
55.05516	38.5
55.31780	0.9
55.67031	0.8
56.05031	2.8
56.05857	1.0
57.03410	0.7
58.06603	1.6
59.04722	0.8
59.05005	10.8
60.05653	26.2
60.08164	4.8
68.05033	1.4
68.22486	0.9
69.03435	11.0
69.07068	2.4
70.13029	2.1
81.53967	0.8
82.06568	1.6
83.04987	17.0
83.06093	3.1
84.04511	18.1
84.08147	30.6
85.06539	0.9
86.06072	85.1
87.04474	100.0
87.06403	3.0
88.04814	2.8
91.05470	1.0
100.07613	1.1
100.11227	1.4
101.06026	34.3
102.46388	1.1
104.07110	15.3
111.05569	10.3
128.08208	6.8
128.10727	8.2
129.06641	1.8
129.66667	0.8
130.05046	4.9
135.52280	0.7
138.79541	0.9
146.09250	34.9
146.11748	17.3
146.15405	3.1
164.58104	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	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05527	1.5
56.05044	1.3
57.03446	1.5
58.06601	1.9
64.18095	0.8
65.03940	7.6
68.05018	0.8
69.03426	0.9
69.61192	3.2
70.03742	0.8
71.04992	1.4
72.04505	0.8
72.08159	19.5
75.09248	0.8
77.03922	0.9
80.04998	1.0
81.03429	2.5
82.06587	5.7
83.04993	1.2
84.04047	1.1
84.04514	17.0
84.08138	3.4
86.06091	5.1
86.09712	34.7
87.10035	2.1
91.05487	100.0
92.05811	1.9
95.04975	1.2
98.06059	0.7
100.04803	0.9
100.07611	4.1
102.05629	0.9
103.05484	1.8
103.06136	0.8
104.04970	0.7
104.90810	1.2
105.06989	1.8
110.06049	2.6
111.04433	0.9
112.11245	3.8
117.05761	6.4
117.07053	0.8
118.06553	88.3
119.04951	57.8
119.06801	5.5
119.08597	2.3
126.94760	0.7
128.04977	42.6
128.07074	2.9
129.04478	1.4
129.05325	2.4
129.07071	1.4
129.13890	0.7
130.04980	3.6
135.42323	0.8
142.17487	0.7
146.06018	87.8
146.08102	4.7
146.91795	1.1
147.04443	20.4
147.05455	2.1
147.06421	4.5
147.08043	2.8
147.09102	1.2
158.71440	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03614	0.8
65.03944	12.2
70.08519	1.3
81.99699	0.4
91.05485	100.0
92.05816	4.1
105.08533	0.5
119.04948	89.2
120.05276	4.3
134.73012	0.4
147.04416	32.0
148.04745	1.5
169.04703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.00850	0.2
53.03938	0.4
55.05503	0.4
61.90574	0.2
65.03942	12.5
66.04305	0.3
70.90228	0.3
79.05497	0.4
83.90691	0.2
91.05483	100.0
92.05817	4.2
95.04977	0.4
103.05427	0.3
105.07035	2.6
118.04205	0.2
119.04946	84.2
119.08586	2.1
120.05278	4.0
129.04500	0.3
147.04411	24.3
147.11697	1.3
148.04759	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36969	0.7
64.92816	1.3
65.03943	11.1
69.59779	3.5
91.05485	100.0
92.05830	4.0
93.88979	0.7
96.79756	0.9
105.07069	2.4
119.04948	82.0
119.08595	4.1
120.05316	4.6
123.96484	1.1
128.52501	0.8
147.04420	24.2
147.05486	2.1
147.09192	1.2
147.11728	1.7
148.04845	1.9
148.07599	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
52.39404	0.4
56.51377	0.5
65.03941	11.9
90.31750	0.4
91.05482	100.0
92.05819	3.8
117.03091	0.4
119.04945	84.2
120.05270	3.8
147.04413	29.2
148.04701	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03617	0.8
65.03947	11.6
65.04289	0.7
66.04265	0.5
69.49783	2.1
70.12354	0.4
77.84529	0.5
84.04510	1.2
87.02351	0.4
91.05487	100.0
92.04998	0.5
92.05818	4.3
95.04972	0.5
103.05483	0.4
105.07044	0.6
111.93150	0.4
119.04949	79.6
119.08623	1.0
120.04490	0.9
120.05297	3.9
147.04425	27.9
147.05399	1.2
147.09161	0.9
148.03784	0.6
148.04805	1.7
148.07582	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03939	0.7
55.01870	0.5
55.05507	0.7
59.53596	0.3
60.18052	0.3
63.02369	0.3
64.69233	0.3
65.03944	11.7
65.04289	0.6
66.04275	0.4
67.05491	0.5
69.07072	0.4
69.37862	1.3
69.38279	0.8
79.05486	1.2
84.04495	2.1
91.05483	100.0
92.05817	3.4
93.07037	0.5
95.04978	0.4
96.60168	0.3
98.23362	0.3
100.08991	0.4
103.05473	0.7
105.04590	0.4
105.07027	7.7
106.06571	0.6
107.08586	0.9
114.71925	0.3
117.07031	1.6
118.04231	0.3
119.04944	80.5
119.08582	11.2
120.04466	0.5
120.05270	3.7
120.08898	0.4
129.04497	0.5
129.05331	2.3
130.04956	0.8
130.06529	2.2
132.09302	0.7
145.10143	0.9
147.04420	27.6
147.06247	4.6
147.08076	0.7
147.09129	0.4
147.11693	4.8
148.04762	1.2
148.07544	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.98982	0.4
65.03941	12.6
71.55178	0.4
74.27745	0.4
76.98946	0.4
84.04456	0.5
91.05480	100.0
92.05004	0.5
92.05269	0.5
92.05813	4.5
104.98642	0.5
105.07037	0.7
118.04133	0.5
119.04941	81.3
119.08576	1.2
120.05268	3.3
137.65636	0.5
147.04408	28.1
148.04796	1.1
148.07497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
57.19862	0.4
62.17110	0.4
65.03940	11.5
69.20066	2.9
84.04506	1.6
84.74168	0.5
91.05481	100.0
92.05814	5.0
98.22633	0.9
108.49326	0.4
118.06624	0.7
119.04945	84.7
120.05280	4.9
147.04414	28.0
147.06317	1.0
148.04742	1.4
152.04729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.51238	0.4
65.03942	12.7
69.16849	2.6
70.29392	0.4
77.89256	0.4
81.09129	0.5
91.05484	100.0
92.04968	0.5
92.05804	3.7
119.04945	86.9
120.05271	3.7
125.66265	0.5
147.04411	29.1
148.04831	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02374	0.5
54.23071	0.4
65.03946	13.6
66.04283	0.4
69.27904	2.2
69.28323	0.9
72.41586	0.5
79.05503	0.5
84.04510	2.6
90.86208	0.4
91.05488	100.0
91.43989	0.5
92.05829	3.0
95.04977	0.6
103.05467	0.6
105.07049	3.8
117.07046	0.8
119.04952	83.3
119.08585	4.0
120.05277	4.1
129.05116	0.4
130.05022	0.9
143.22488	0.5
147.04420	29.3
147.08046	0.9
147.09105	0.5
147.11690	1.9
148.04805	1.2
148.07564	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03936	0.3
64.56369	0.3
65.03940	12.1
69.44472	1.5
84.04488	0.3
91.05481	100.0
92.05801	3.9
93.25249	0.3
98.22684	0.5
103.61251	0.3
105.07037	2.2
117.06995	0.4
119.04942	85.5
119.08562	2.5
120.05278	3.6
121.03933	0.4
147.04407	29.2
147.11679	0.9
148.04761	1.7
148.07558	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61583	0.4
63.02405	0.4
65.03943	12.8
66.83344	0.4
77.37488	0.4
81.93393	0.4
91.05485	100.0
92.05816	3.7
98.22652	1.4
105.07061	2.2
107.43945	0.4
117.07032	0.6
119.04949	85.2
119.08640	2.2
120.05264	4.3
147.04419	27.2
147.05438	1.0
147.08046	0.7
147.09151	0.5
147.11644	1.3
148.04787	1.6
148.07518	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	147.0765
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05042	3.3
66.65437	0.3
70.72018	0.5
84.04508	100.0
84.08165	2.2
85.02905	1.5
85.04322	0.5
85.04842	2.7
101.07150	2.4
102.05552	3.3
130.05013	24.3
131.05394	0.8
147.07664	0.4
159.70720	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	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03970	0.5
60.18397	0.3
60.71530	0.3
65.03938	1.0
66.35182	0.3
70.90093	0.6
79.05505	1.7
84.04488	0.7
91.05484	38.3
92.05809	2.0
93.07053	2.3
95.04950	0.6
103.05466	3.7
104.06264	2.6
105.07037	1.2
107.04954	0.7
115.05460	1.4
117.07022	22.1
118.07358	0.9
119.08583	100.0
120.04443	0.4
120.08916	7.2
123.96458	0.4
128.06219	1.5
129.07004	7.2
130.07399	0.7
132.05739	1.9
147.05461	0.8
147.08051	14.6
147.11713	0.5
148.07481	1.0
148.08437	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	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.40382	0.3
50.86700	0.3
53.03937	0.8
55.05511	0.5
56.13998	0.3
65.03928	0.8
66.08634	0.4
70.17288	1.1
79.05505	2.3
84.04492	0.5
91.05486	34.7
92.05840	1.7
93.07034	2.4
95.04940	0.6
103.05464	4.4
104.06259	2.5
105.07036	4.2
115.05465	1.3
117.07027	20.8
118.07343	1.2
119.04937	1.4
119.08586	100.0
120.04464	0.7
120.08911	6.2
123.96469	0.6
128.06250	1.9
129.07021	7.3
130.07349	0.4
131.06137	0.5
132.05745	0.8
133.05211	0.5
145.10104	0.4
146.91786	0.6
147.04453	0.9
147.05505	0.8
147.08069	11.5
147.09172	1.0
147.11710	1.9
148.03972	0.5
148.07523	2.9
155.06004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	0.9
55.01871	1.4
57.43674	0.5
58.03612	0.5
65.03930	0.9
69.03427	0.6
70.17484	1.0
70.17820	0.8
79.05501	3.2
79.43317	0.5
91.05485	44.8
92.05814	1.9
93.07059	2.7
95.04980	0.6
101.22545	0.5
103.05470	6.1
104.06242	4.1
105.07035	1.7
107.04952	7.6
109.06567	0.8
115.05460	2.5
117.07022	24.3
118.07294	1.0
119.08582	100.0
120.08103	1.3
120.08904	7.7
121.06464	0.6
123.96477	0.7
128.06230	3.0
129.07011	9.5
130.06511	0.7
131.04935	2.2
132.05717	18.4
145.06439	0.7
147.08052	44.1
148.07365	2.8
148.08427	2.4
155.06122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.02357	0.4
53.03939	0.8
64.11452	0.3
64.92809	0.6
65.03938	0.5
68.85275	0.3
79.05496	2.6
91.05488	34.8
92.05826	1.3
93.07064	2.3
93.45988	0.4
95.04993	0.6
98.23381	0.8
103.05467	3.5
104.06266	3.0
105.04567	0.6
105.05721	0.3
105.07062	2.9
107.04964	0.8
109.06523	0.6
115.05489	1.9
117.07026	21.7
118.07353	1.1
119.08586	100.0
120.04482	1.1
120.08128	0.7
120.08926	5.6
121.06512	0.4
123.96471	1.2
126.73475	0.4
128.06230	1.6
129.07013	8.0
130.07420	0.5
131.06015	0.4
132.05705	1.1
133.05215	0.6
147.04428	0.5
147.05487	0.6
147.08061	13.7
147.09077	0.7
147.11696	1.7
148.03949	0.9
148.07474	3.1
148.08592	0.6
168.46902	0.4
168.88037	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	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03954	0.7
55.05510	0.5
60.32293	0.4
64.92813	0.4
65.03948	0.8
68.01257	0.4
69.02323	3.2
79.05500	2.2
83.72845	0.4
84.04514	1.2
91.05486	33.4
92.04993	0.5
92.05798	1.3
93.07041	2.7
103.05457	3.5
104.06258	2.8
104.48151	0.5
105.04515	0.5
105.07047	2.3
106.06556	0.4
115.05464	1.7
117.07021	22.7
118.07355	0.6
119.08586	100.0
120.08914	6.3
123.96442	1.0
128.06236	1.6
129.07002	7.4
130.07359	0.5
132.05734	1.3
133.05191	0.6
147.04439	0.7
147.05476	1.1
147.06384	1.1
147.08064	13.0
147.09183	1.2
147.11720	1.4
148.03931	0.7
148.07489	3.1
148.08617	0.7
148.78477	0.4
155.06023	0.4
169.22226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03936	1.6
53.15136	0.9
65.03932	0.9
65.34859	0.7
69.73278	2.6
76.52235	0.8
79.05498	3.5
91.05486	51.0
92.05814	3.2
93.07051	2.4
95.85146	0.8
103.05451	5.0
104.06264	4.8
105.07030	2.9
107.04956	9.4
115.05453	2.7
117.07026	23.5
117.07845	1.5
118.07369	1.9
119.08586	100.0
120.08913	6.5
128.06248	4.8
129.06995	8.7
131.04984	4.3
131.05946	1.0
132.04720	1.7
132.05719	22.3
133.06053	1.3
145.06465	1.7
147.08058	57.4
148.07379	4.0
148.08455	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	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	0.6
64.92792	1.5
65.03938	1.0
65.90263	0.4
69.11476	3.0
79.05505	1.8
84.04502	0.9
91.05485	34.8
91.46763	0.4
92.04979	0.4
92.05818	1.9
93.07059	2.1
94.20992	0.3
98.23415	0.7
100.39973	0.3
103.05475	4.0
104.06250	2.9
105.07023	0.9
114.80607	0.4
114.98577	0.4
115.05439	2.2
117.07024	21.0
118.07372	1.2
119.04943	2.2
119.08584	100.0
120.04502	0.4
120.08917	6.9
121.57984	0.4
123.96442	1.4
128.06247	1.4
129.07002	7.6
132.05705	0.8
133.05266	0.5
147.04388	1.1
147.05551	1.5
147.08055	13.6
147.09164	0.8
148.07472	2.8
148.08589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03943	0.5
54.60001	0.4
57.68472	0.4
60.20799	0.4
61.93431	0.4
64.92795	1.1
65.03918	0.8
70.67527	0.4
79.05500	1.8
91.05484	35.0
92.05007	0.7
92.05809	1.6
93.07067	2.3
95.04961	0.5
103.05473	4.1
104.06268	3.0
105.07056	1.7
115.05452	1.1
117.07022	21.1
118.07376	1.1
119.08583	100.0
120.04488	0.5
120.08924	7.0
123.96476	1.1
128.06227	1.7
129.07005	7.0
132.05731	1.5
147.05551	0.8
147.08055	13.8
147.09099	0.6
148.03923	0.4
148.07439	2.6
148.08569	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	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.08063	0.4
50.72008	0.4
53.03951	0.5
59.32745	0.4
61.67692	0.4
64.92805	0.5
65.03945	0.8
77.64206	0.4
79.05496	2.7
91.05486	33.8
92.05819	0.9
93.07063	2.5
95.05048	0.4
95.10733	0.4
103.05478	4.5
104.06261	2.8
105.07047	1.0
107.04955	0.7
109.06516	0.5
114.64966	0.3
115.05468	1.8
117.07027	22.5
118.04556	0.4
118.07338	1.0
119.08586	100.0
120.04498	0.8
120.08910	6.3
123.96466	0.6
128.06235	1.6
129.07018	6.9
132.05740	1.3
147.04504	0.4
147.05568	0.9
147.08055	14.4
147.11644	0.5
148.07550	1.6
148.08534	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	147.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40382	0.3
50.86700	0.3
53.03937	0.8
55.05511	0.5
56.13998	0.3
65.03928	0.8
66.08634	0.4
70.17288	1.1
79.05505	2.3
84.04492	0.5
91.05486	34.7
92.05840	1.7
93.07034	2.4
95.04940	0.6
103.05464	4.4
104.06259	2.5
105.07036	4.2
115.05465	1.3
117.07027	20.8
118.07343	1.2
119.04937	1.4
119.08586	100.0
120.04464	0.7
120.08911	6.2
123.96469	0.6
128.06250	1.9
129.07021	7.3
130.07349	0.4
131.06137	0.5
132.05745	0.8
133.05211	0.5
145.10104	0.4
146.91786	0.6
147.04453	0.9
147.05505	0.8
147.08069	11.5
147.09172	1.0
147.11710	1.9
148.03972	0.5
148.07523	2.9
155.06004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	D-Lysine
Peak:m/z	Relative Intensity
56.05032	2.6
67.05501	1.5
71.29957	0.6
71.62692	0.3
76.38406	0.3
81.62783	0.3
84.08146	100.0
85.06550	0.6
85.07990	0.6
85.08478	4.5
85.72220	0.4
96.07738	0.3
97.25315	0.3
112.07558	0.6
130.08649	8.6
131.09097	0.4
136.85524	0.3
147.05528	0.4
147.11288	0.5
148.07506	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.05301	1.0
55.05515	9.6
56.51461	0.9
65.03936	1.2
67.05514	2.2
69.07064	3.2
78.11589	0.9
79.05502	9.1
81.07070	2.7
91.05486	40.5
92.05816	2.1
93.07048	3.7
95.04945	1.4
102.10081	0.9
103.05486	2.7
104.06286	1.3
105.07037	87.4
106.07362	4.1
107.08604	5.8
115.05454	1.3
116.06236	2.5
117.07014	14.8
119.08588	100.0
120.04516	1.3
120.08150	1.6
120.08883	6.4
121.70096	1.4
127.59731	1.0
128.06172	1.0
129.07043	1.3
130.07750	1.9
131.08595	2.0
132.09343	7.1
133.05275	0.9
145.10110	5.9
147.08093	2.4
147.11700	53.7
148.03915	1.8
148.07530	2.3
148.12070	5.6
164.73994	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	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.38440	1.1
51.02367	1.0
53.03941	3.1
54.08044	0.9
55.01858	1.2
55.05516	10.7
65.03950	6.3
65.04237	1.2
67.05495	2.2
69.07061	3.3
71.09034	1.9
79.05491	8.2
81.07059	1.7
83.08608	1.2
84.04503	22.2
91.05479	88.7
92.05029	1.3
92.05792	4.5
93.07019	2.6
95.04929	1.2
103.05460	4.9
104.06272	1.8
104.53912	1.1
105.07030	82.8
106.07335	4.6
107.04943	2.4
107.08619	5.5
115.05384	1.6
116.06281	1.1
117.07024	13.3
119.04945	39.4
119.08579	100.0
120.04464	2.6
120.05257	2.7
120.08085	1.9
120.08916	7.9
123.96437	1.1
129.06995	1.2
130.05008	3.3
130.06525	3.6
131.08572	1.5
132.05695	2.1
132.09344	3.7
145.06497	1.0
145.10092	5.4
147.04431	14.8
147.05385	1.2
147.06413	5.7
147.08073	7.1
147.11684	45.9
148.03931	5.6
148.07553	5.7
148.12033	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03948	2.1
54.50706	0.9
55.05519	8.9
59.50888	0.8
65.03934	2.7
67.05516	10.0
69.07060	4.1
69.16531	6.6
76.44498	0.9
79.05495	12.0
81.07059	7.8
91.05486	55.0
92.04987	1.8
92.05816	2.8
93.07038	5.6
95.04961	1.8
98.23393	2.0
103.05466	4.4
104.06255	1.5
105.07036	100.0
106.07349	5.6
107.08562	2.3
115.05434	1.3
116.67324	0.9
117.07024	9.6
119.04950	2.7
119.08586	84.6
120.04465	2.2
120.08928	4.4
131.08591	1.5
132.09341	2.1
145.10176	4.9
147.04439	2.1
147.05521	3.0
147.08061	3.7
147.09157	1.4
147.11696	40.1
148.02861	0.8
148.03943	3.8
148.07558	8.6
148.12016	3.3
158.66852	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.66462	1.5
55.05516	9.2
58.07146	1.1
62.91224	1.2
65.03944	12.1
69.07085	2.1
69.64825	1.2
70.84126	1.6
73.40926	1.3
78.61178	1.3
79.05491	7.7
81.35225	1.4
84.04512	6.8
85.64538	1.1
91.05486	100.0
92.04988	2.2
92.05812	7.2
93.07047	2.9
95.04981	1.5
103.05473	5.8
104.06243	1.9
105.07033	52.2
106.07343	2.9
107.04958	1.9
107.08613	6.0
116.06232	2.3
117.07027	14.2
119.04953	64.8
119.08585	74.9
120.04451	4.1
120.05283	4.7
120.08911	3.0
123.51161	1.3
129.07011	3.0
130.04086	1.4
130.07797	1.7
131.08583	2.9
132.09378	7.3
136.45657	1.2
145.10124	5.3
147.04443	29.9
147.06360	16.7
147.08060	7.2
147.09111	2.8
147.11684	31.7
148.03931	5.6
148.07555	7.6
148.12045	2.7
155.71492	1.5
166.66714	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.24831	1.1
52.75227	1.2
53.03940	2.7
55.05512	8.5
60.89835	1.1
64.92786	1.5
65.03928	3.0
67.05493	2.8
69.07056	2.0
69.38615	1.2
71.29511	1.4
79.05504	9.4
81.07055	2.1
84.04499	4.2
86.25880	1.0
91.05483	56.9
92.04995	2.5
92.05824	1.8
93.07059	6.0
95.04935	1.5
99.13651	1.3
103.05469	5.7
105.07035	82.2
106.07374	4.3
107.08578	5.4
115.05453	2.6
116.06226	2.3
117.07020	17.9
119.04949	10.6
119.08587	100.0
120.04464	2.6
120.08150	1.5
120.08903	6.5
129.06976	1.8
131.08566	2.0
132.09364	6.0
145.10133	6.8
147.04408	6.6
147.05453	2.8
147.08070	5.1
147.09146	1.8
147.11688	48.1
148.03891	2.4
148.07579	8.3
148.08589	1.6
148.11996	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	148.0605
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
56.05042	6.7
60.17855	0.6
65.03949	4.3
70.69569	1.1
74.00661	1.0
81.24049	0.6
84.04513	100.0
84.08186	0.8
85.02907	1.5
85.04839	4.1
92.05029	1.5
92.05797	0.9
93.03403	1.0
102.05553	15.5
102.06181	1.3
105.07053	0.7
113.97147	0.7
120.04500	3.5
120.05225	0.7
121.02890	4.3
121.03964	1.7
126.01540	0.7
130.05022	6.0
133.08934	3.3
148.03934	1.9
148.11235	3.2
149.02347	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	148.0757
Annotation	Indole-3-carbinol
Peak:m/z	Relative Intensity
53.03942	0.6
55.01874	12.7
63.02339	0.3
65.03616	0.7
65.03941	11.5
66.04240	0.3
69.47211	1.5
71.75636	0.3
75.63361	0.3
77.03925	0.7
78.04687	0.5
79.05499	2.4
84.04500	1.2
89.03915	2.7
91.05476	3.5
92.05014	1.4
92.05811	3.0
93.03416	2.4
93.07038	1.8
94.06582	1.6
95.04979	0.7
98.03661	0.7
98.22667	0.5
103.05467	7.1
105.03380	0.6
105.04486	0.4
105.05749	0.4
105.07033	1.5
106.06559	17.3
107.04922	0.4
107.06891	1.0
107.08591	1.2
108.04523	0.4
111.04425	2.1
117.03398	1.1
118.06547	2.1
119.07338	0.7
120.04462	2.3
120.05287	2.7
120.08107	9.9
121.02868	13.9
121.03986	4.8
121.04817	0.6
121.06541	1.1
121.08428	0.5
121.10135	0.4
125.58426	0.4
130.06529	100.0
131.04930	0.6
131.06863	6.9
131.08456	0.6
133.05214	1.4
133.47725	0.3
134.03648	0.5
148.04823	1.0
148.06348	0.5
148.07574	21.9
149.02341	24.7
149.05972	1.2
149.07941	1.5
149.09639	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	148.0757
Annotation	Indole-3-carbinol
Peak:m/z	Relative Intensity
51.71516	0.4
53.03960	0.8
55.01600	0.6
55.01875	13.9
65.03942	20.8
67.05501	0.5
77.03948	0.4
79.05493	6.1
84.04519	1.5
89.03928	0.7
89.22462	0.5
91.05483	5.0
92.05017	1.5
92.05827	1.3
93.03411	4.2
93.07047	4.5
94.06590	1.4
95.04952	1.2
95.87570	0.4
103.05474	6.5
104.19263	0.4
105.03401	0.7
105.07021	5.3
106.06560	16.2
107.04955	2.5
107.06889	0.5
107.08582	4.4
111.04439	3.5
116.06241	0.6
118.06546	3.0
119.07340	0.9
120.04470	2.7
120.05248	0.7
120.08107	10.2
120.08925	0.7
120.28727	0.5
121.02873	22.7
121.03975	7.1
121.06476	1.2
121.08425	0.7
121.10113	1.3
130.06531	100.0
131.05008	0.7
131.06868	6.5
131.08473	3.0
133.05234	1.3
133.06306	0.5
134.39946	0.6
148.03879	1.0
148.07573	20.2
149.02348	39.5
149.07922	0.6
149.09627	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	149.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80459	0.7
53.03923	0.8
55.01875	1.5
55.05504	1.0
56.05033	4.9
57.04563	0.9
57.07069	1.0
59.05006	27.4
61.01149	2.8
65.03943	36.2
66.04259	1.3
67.05514	8.8
67.63056	0.8
69.07072	1.1
70.16651	0.7
70.16982	2.4
71.04998	37.0
81.03423	1.2
82.04073	1.4
84.04480	0.8
85.04845	1.0
85.06541	3.0
91.05506	0.9
92.02516	0.8
93.03406	7.7
93.05322	1.0
94.04070	2.5
94.06561	1.6
95.04958	4.0
98.03690	1.3
101.06033	3.8
104.05376	1.8
105.62634	0.8
106.04088	1.3
108.05591	1.1
109.05132	6.7
111.04430	2.8
113.06011	24.4
119.03561	2.2
121.02872	38.6
121.03978	11.2
121.06516	1.5
122.03217	1.9
122.06063	1.5
123.06715	1.5
131.07065	1.0
132.04419	1.1
133.03206	1.1
133.05119	7.6
135.05373	0.9
137.04657	1.0
149.02353	68.7
149.07047	1.5
150.02721	3.7
150.05566	3.3
150.07756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0808
Annotation	DL-Mevalonic acid
Peak:m/z	Relative Intensity
59.05005	73.5
65.03947	26.1
67.05505	26.9
69.07066	3.5
69.75836	5.0
69.76216	4.1
71.04993	100.0
72.05326	2.9
79.05483	8.5
85.06543	7.9
91.05471	2.4
93.03416	5.7
93.07037	6.9
95.04971	11.7
99.31816	2.3
101.06006	14.5
103.05471	18.8
107.04950	3.9
111.04443	3.1
113.06008	74.8
114.06288	3.3
121.02865	28.7
121.03960	9.2
121.06534	2.9
122.03194	2.4
131.07045	3.0
149.02338	42.9
150.02690	2.3
150.07761	21.5
161.51291	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.18431	1.1
53.03942	3.7
55.01680	1.0
55.01878	11.3
55.05511	3.2
56.59788	1.1
65.03943	60.5
65.04290	2.9
66.04266	1.4
66.47577	1.4
67.05490	3.4
69.03433	2.6
69.36710	5.7
78.46134	1.1
79.05493	24.2
80.05853	1.0
84.39655	1.2
91.05484	20.8
91.74065	1.2
93.03402	13.0
93.07049	19.4
95.04966	4.6
98.03693	2.2
103.05466	3.6
105.07036	23.3
105.37595	1.4
107.04945	13.3
107.08589	21.4
111.04449	7.4
112.28501	1.4
115.53966	1.2
121.02868	65.9
121.03986	20.6
121.06512	5.6
121.10149	4.6
122.03220	4.2
122.04281	1.3
129.06952	2.4
131.06873	6.4
131.08556	10.0
134.07291	1.8
149.02345	100.0
149.09622	26.5
150.02631	7.2
150.10121	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02380	1.4
51.40691	1.2
53.03954	9.6
55.01880	7.8
55.05502	3.9
56.79618	1.1
65.03941	62.4
66.04263	2.2
67.05499	2.6
69.03438	6.7
70.88488	1.5
70.88819	1.5
72.64610	1.3
79.05068	2.7
79.05497	34.8
81.07053	4.9
82.37560	1.3
89.44899	1.4
91.05484	86.7
92.05788	2.5
93.03405	15.0
93.07050	46.7
94.07384	1.3
95.04975	8.1
98.03672	1.4
98.23283	1.3
103.05486	11.4
105.04528	2.9
105.07038	62.9
106.07896	6.8
107.04980	4.9
107.08595	11.3
109.06532	7.1
111.04446	11.1
115.05465	10.8
116.06252	34.9
119.08570	12.9
121.02866	68.7
121.03979	22.0
121.06504	28.0
121.10149	50.6
122.03162	3.5
122.05961	1.5
122.10463	3.4
123.08076	4.8
128.06241	2.0
129.07034	6.5
131.04938	1.5
131.08575	30.6
132.08957	2.1
133.06583	2.3
133.07608	4.2
134.07294	5.3
147.08070	5.1
149.02347	100.0
149.09622	99.7
150.02676	7.0
150.10027	6.1
167.03456	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03947	2.7
55.01877	5.7
55.05521	1.8
64.15589	0.9
65.03944	60.5
66.04263	1.6
67.05503	2.0
69.04147	1.5
69.04546	6.0
73.24435	0.9
74.42845	0.9
79.05495	13.5
80.02599	1.0
81.07065	1.6
84.94466	0.8
89.03909	1.3
91.05487	14.7
93.03409	12.1
93.07054	13.7
94.02969	0.9
95.04977	2.1
98.03678	1.8
98.23383	2.1
100.11606	0.8
102.03763	1.0
103.05451	2.0
105.07034	10.2
107.04978	4.9
107.08601	13.7
108.04481	1.7
111.04462	8.0
116.06246	1.9
119.08575	1.8
121.02872	58.1
121.03986	22.1
121.06477	6.4
121.10168	2.7
122.03186	1.7
122.04384	1.5
129.06952	1.3
131.08554	7.3
134.07352	1.2
149.02351	100.0
149.09624	15.2
150.02686	6.9
150.03743	1.2
150.05432	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	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.66942	0.8
52.50704	0.9
53.03941	3.7
55.01871	2.4
55.05513	9.1
55.91052	0.9
57.07065	2.5
60.23815	0.9
60.69372	0.8
65.03945	56.0
66.04269	1.8
67.05495	4.5
69.03462	1.1
69.07075	14.5
70.52442	1.6
73.09773	0.8
79.05060	1.6
79.05496	18.7
81.07060	11.0
82.07366	1.2
91.05491	23.6
92.05807	2.0
93.03405	12.1
93.07048	46.0
94.07375	2.7
95.04975	3.6
95.08625	3.1
98.03677	2.0
103.05466	0.9
105.04530	2.2
105.07037	13.8
107.04964	1.1
107.08598	46.9
108.04472	2.1
108.08903	1.9
109.06513	2.8
111.04458	9.2
116.06213	1.2
119.06077	1.5
119.08601	2.1
121.02872	58.6
121.03981	18.4
121.05405	1.4
121.06525	2.3
121.09303	1.7
121.10148	22.8
122.03201	3.8
122.04340	1.0
122.10455	1.5
123.08064	1.1
131.08533	2.3
142.19067	0.8
149.02351	100.0
149.09673	4.3
149.13264	12.9
150.02678	5.9
150.03741	1.8
150.13625	1.4
152.95485	0.9
167.03435	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	150.0551
Annotation	3-Hydroxyindolin-2-one
Peak:m/z	Relative Intensity
51.02409	0.4
53.03939	0.7
55.05524	0.4
55.41459	0.3
58.26656	0.3
65.03928	0.8
65.52924	0.2
66.04268	0.8
67.05495	0.6
72.93779	0.8
77.03950	0.5
79.05473	0.4
80.05036	0.5
81.07052	0.9
88.21581	0.3
90.94860	0.4
91.05497	1.8
93.07055	0.4
94.06550	0.8
95.04974	0.8
95.08569	0.4
98.22568	0.8
104.05002	12.6
105.03393	0.3
105.05328	0.6
105.07059	1.8
108.04498	0.6
112.03510	0.3
117.96410	0.3
118.39706	0.3
119.04978	0.6
121.02886	0.4
122.03237	2.4
122.04053	0.4
122.06062	1.4
132.04460	100.0
133.04810	4.6
133.10124	0.4
150.02693	5.9
150.03813	0.8
150.05498	2.2
150.07748	1.4
150.09149	1.0
150.12741	0.5
151.02861	0.4
151.03943	0.6
151.07527	0.8
151.08652	0.3
151.11240	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	150.055
Annotation	3-Hydroxyindolin-2-one
Peak:m/z	Relative Intensity
51.02373	0.3
53.03952	0.7
65.03934	1.5
66.04283	1.6
67.05497	1.1
69.03423	0.3
69.14610	1.7
72.93784	0.6
77.03908	0.3
79.05497	1.0
80.05022	0.5
81.07054	1.2
88.18977	0.3
90.94823	0.6
91.05466	1.2
93.03400	0.4
93.07035	0.5
94.03712	0.4
94.06580	1.4
95.04971	1.8
95.08621	0.5
96.34710	0.3
101.86484	0.3
104.04995	11.5
105.03427	0.5
105.05318	0.4
105.07043	2.9
107.08601	0.4
109.06482	0.5
111.04447	0.3
119.04907	0.5
121.02807	0.9
121.03971	0.4
121.06514	0.5
122.03203	3.3
122.04312	1.1
122.06029	2.8
123.08099	0.6
123.11721	0.4
132.04454	100.0
133.02831	0.8
133.04807	4.8
133.06425	0.5
150.02695	9.0
150.03722	0.7
150.05495	5.0
150.06641	0.6
150.07761	1.8
150.09151	1.2
150.12773	0.4
151.02814	0.7
151.03964	0.7
151.07530	0.8
151.08676	0.5
151.11200	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	150.0775
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
55.14722	0.3
56.05040	21.9
57.04562	0.4
57.05354	0.4
58.75601	0.3
61.01152	15.3
67.05515	0.6
69.21696	2.2
71.05004	0.3
74.02432	1.4
74.06079	1.6
82.04041	0.5
84.04498	0.8
85.02898	1.0
87.02690	3.2
91.05478	0.6
94.04060	1.3
94.06554	1.4
96.53961	0.3
102.05544	3.4
104.05334	11.7
105.03706	0.5
105.07082	0.4
106.06588	0.5
108.04359	0.3
108.05598	0.6
109.05130	4.1
119.03533	1.0
121.06486	0.4
122.03252	0.5
122.06022	1.1
123.04399	0.4
123.06670	0.5
133.03198	7.6
133.05090	4.9
135.05444	0.9
137.04636	0.4
150.02702	1.3
150.07755	100.0
151.03934	0.5
151.06097	0.9
151.08167	2.6
156.01335	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.03943	0.6
54.32326	0.2
55.01876	2.1
65.03937	1.3
67.05505	9.4
68.99780	0.4
75.98238	0.3
79.05473	0.5
80.71524	0.2
81.07050	0.9
91.05494	0.6
95.04362	0.6
95.04974	12.6
98.23373	0.7
105.03432	0.3
105.04517	0.3
105.07039	0.8
107.04963	0.4
107.08607	0.3
108.02098	0.7
109.06528	0.6
109.10178	0.9
110.06065	0.4
123.04431	100.0
123.11623	0.3
124.04767	4.2
124.97691	0.3
151.03912	28.0
151.07521	1.9
151.08656	0.5
151.11189	0.7
152.04242	1.0
152.07045	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	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.75618	0.3
51.77060	0.3
53.03945	0.7
55.01868	1.8
55.05497	0.3
60.11536	0.3
65.03953	1.6
67.05507	8.6
68.99784	0.5
79.05470	0.3
81.07043	0.6
84.65798	0.3
90.12309	0.3
91.05476	1.7
95.04974	12.4
95.08571	0.7
96.05298	0.7
98.23373	0.6
105.03377	0.3
105.04505	0.3
105.07020	0.4
108.02099	0.5
109.06541	0.4
114.87456	0.3
118.56787	0.3
119.04945	0.8
123.04433	100.0
124.04771	4.6
141.05472	0.5
151.03920	26.4
151.04976	1.3
151.07535	0.8
151.11163	0.5
152.01608	0.6
152.04280	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	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03944	0.7
59.93373	0.3
65.03944	4.9
67.05495	0.3
70.54201	0.7
79.05492	1.6
80.06275	1.0
90.24440	0.3
91.05483	100.0
92.05812	2.9
93.07076	0.4
95.04971	8.8
95.08599	0.3
102.39214	0.3
103.05460	0.6
105.04530	0.4
105.07046	0.5
107.04979	0.4
108.05758	1.7
109.66836	0.3
118.04143	0.3
119.04946	47.0
120.05247	1.6
123.08089	0.8
134.06023	2.5
136.05197	10.2
137.05986	3.9
151.07544	35.2
152.05811	0.3
152.06911	0.6
152.07953	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	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03950	5.4
55.01867	3.6
55.05509	5.4
57.03435	1.7
57.07061	1.1
65.03942	4.8
66.15678	1.0
67.05508	33.9
68.05833	0.9
68.99788	3.0
69.03435	8.8
69.07043	1.0
69.53009	0.8
69.67720	4.3
74.96360	0.9
75.96297	1.0
77.03909	1.0
79.05496	27.1
81.03393	1.4
81.07059	13.8
83.04988	2.4
83.08641	1.3
90.22735	0.9
90.24490	1.0
91.05499	9.5
93.07045	11.6
95.04980	10.0
95.08612	78.4
96.05772	1.0
96.08928	3.4
97.06541	1.1
103.05473	13.2
105.07034	45.7
106.07355	1.8
107.04956	2.7
107.08602	3.6
107.20911	0.9
108.02108	1.1
108.05750	11.7
109.06538	8.2
109.10172	4.6
113.45206	0.9
115.05447	2.3
119.04943	2.1
121.06525	2.6
123.04440	10.7
123.08076	54.4
123.11666	1.2
124.08398	1.8
131.04991	1.1
133.06502	28.1
133.07541	1.4
133.10158	3.5
134.05954	1.2
134.06923	1.3
136.05193	1.5
151.02875	1.6
151.03915	6.4
151.05032	3.3
151.07552	100.0
151.11177	29.6
152.07970	4.9
152.11502	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	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03949	0.8
53.30141	0.3
57.37611	0.3
63.93071	0.4
65.03943	5.7
66.04704	0.5
67.05486	0.3
70.54170	0.9
71.73466	0.3
74.32960	0.3
79.05489	1.8
80.06281	1.4
91.05485	100.0
92.05827	2.9
93.07034	0.4
95.04967	7.8
100.08562	0.3
103.05437	1.0
105.07029	0.5
107.04985	0.4
108.05771	1.7
119.04947	48.6
120.05266	2.5
123.08070	1.1
131.11752	0.4
134.06053	1.1
136.05203	9.8
137.06039	3.5
141.32939	0.3
151.07547	32.7
152.07903	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	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03935	0.7
59.66495	0.3
65.03941	5.0
67.05513	0.6
69.33850	1.4
79.05097	0.4
79.05497	2.5
80.06274	1.5
81.23417	0.3
82.71553	0.3
87.49451	0.3
88.63445	0.3
89.43530	0.3
91.05485	100.0
92.05811	3.5
93.07075	0.5
94.06567	0.3
95.04973	9.4
95.05562	0.6
96.08099	0.3
98.22639	0.6
103.05463	0.7
105.04562	0.5
105.07059	0.8
106.06579	1.4
107.04956	4.6
108.05759	1.4
109.02900	0.5
118.04124	0.4
119.04948	49.7
120.05270	1.8
123.04429	1.1
123.08089	0.7
124.07594	1.0
134.06026	6.8
135.02925	0.4
135.04430	1.9
136.05202	10.2
137.06012	4.5
147.01451	0.5
151.07541	34.7
152.05681	1.3
152.07065	2.6
152.07971	0.9
159.36049	0.3
165.56673	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	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03952	4.1
55.01873	1.6
55.05511	6.9
57.03444	6.3
57.07071	2.8
63.72503	1.6
64.36987	1.2
65.03925	3.9
65.92195	1.3
67.05511	22.4
69.03416	6.9
69.07067	3.5
71.04987	11.2
71.28946	1.7
74.51411	1.5
74.83193	1.1
77.01911	1.2
79.05493	16.7
81.03426	2.3
81.07059	73.5
82.07380	2.4
83.04983	4.1
90.01611	1.4
91.05485	31.2
93.07045	100.0
94.07371	3.0
95.04973	38.6
95.08601	16.9
105.04505	3.4
105.07041	28.9
106.07337	1.5
107.07869	2.4
107.08599	45.7
108.08922	2.2
109.02906	1.4
109.06514	29.9
109.10174	16.3
110.06818	1.5
110.10522	1.6
119.04971	3.6
121.10181	3.5
123.04436	24.6
123.08072	35.9
123.11720	22.1
124.07561	1.9
124.08356	2.6
124.12054	1.4
131.08557	1.9
133.10146	24.1
133.44368	1.3
134.06053	2.4
151.02890	2.1
151.03911	11.6
151.05035	4.1
151.07550	9.5
151.11182	58.2
152.07066	3.9
152.11510	2.1
156.25597	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	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03946	4.7
55.01862	2.4
55.05512	100.0
56.05842	3.1
56.17900	0.9
57.07080	5.1
59.05011	2.0
59.78369	0.8
60.06686	0.8
60.83071	0.8
61.73872	1.0
65.03947	2.2
67.05503	25.8
69.03501	5.4
69.03962	4.3
69.07061	4.5
72.21634	0.8
79.05489	11.5
81.07058	38.1
82.07386	1.1
83.08576	1.3
91.05483	9.5
93.07042	7.1
95.04965	15.1
95.08614	15.9
96.08118	3.1
97.06522	13.1
98.06829	1.0
103.05449	1.0
105.07024	13.5
107.08591	9.9
108.05730	1.6
109.06518	13.9
109.09464	1.6
109.10161	23.5
110.07344	1.2
118.02978	1.1
119.04943	1.1
121.10117	1.5
123.04426	23.5
123.08064	7.9
123.11703	11.0
124.07591	2.8
125.09584	1.6
133.06467	2.2
133.10146	4.6
135.04425	1.3
136.08858	1.5
151.02872	1.2
151.03940	7.1
151.07549	10.4
151.08638	1.7
151.11188	20.5
151.14857	1.9
152.07053	3.0
168.86516	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	151.1119
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
51.14862	1.1
52.74120	1.1
53.03936	3.7
55.01863	4.7
55.05516	9.2
57.03447	8.0
57.07065	3.1
59.04987	1.3
65.03935	4.6
67.05510	30.8
69.03429	6.0
69.07060	5.3
69.36367	4.3
69.36771	2.0
70.11256	1.0
71.04975	3.3
79.05497	26.9
81.03427	1.8
81.07059	99.7
82.07396	3.3
91.05486	33.1
92.05788	1.2
93.07040	20.4
95.04967	28.2
95.08610	20.7
96.05262	1.6
98.23320	2.5
98.77583	1.2
105.07040	39.2
106.07374	1.6
107.04948	1.9
107.08599	100.0
108.02108	2.8
108.05766	1.3
108.08919	4.9
109.06525	37.2
109.09452	2.5
109.10154	28.0
110.06858	1.4
110.10529	1.8
119.04953	1.3
119.06037	5.0
121.10155	2.2
123.04436	24.8
123.08076	14.5
123.11707	26.4
124.04755	1.7
125.47573	1.2
131.08589	1.8
133.10138	31.4
134.10580	1.6
141.05415	1.3
151.02922	1.3
151.03900	21.1
151.05042	6.2
151.07559	2.8
151.11186	49.5
152.07059	2.1
152.11525	2.5
159.65479	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	151.1118
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
52.14196	2.1
55.05502	2.2
57.07071	4.0
60.47552	1.8
63.59081	1.9
64.50034	1.7
65.03945	2.2
67.05510	10.0
69.03423	2.5
69.71168	8.7
71.05001	2.0
73.45099	2.0
79.05491	5.4
80.05038	1.8
81.03429	14.7
81.07069	10.1
91.05480	4.6
93.07069	2.4
94.04189	7.5
95.04971	23.4
95.06056	2.4
95.08622	4.7
98.22699	2.4
100.98139	2.3
105.07079	4.9
106.06575	3.1
107.06067	2.0
109.06495	4.0
109.10165	4.6
110.06059	3.4
122.06879	1.9
123.04369	2.3
123.08025	2.8
124.07610	2.5
133.10156	2.5
134.06053	10.6
150.05496	6.6
151.02924	5.8
151.05055	3.1
151.06229	7.3
151.07561	3.6
151.08661	9.6
151.11195	100.0
152.03378	3.3
152.07072	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	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03945	1.0
55.01871	0.5
55.05517	2.3
57.07058	1.0
59.04990	1.1
61.94401	0.5
65.03939	1.0
66.16206	0.4
67.05507	7.1
69.03362	4.5
69.07076	2.4
73.91232	0.4
79.05504	3.8
81.03405	1.0
81.06587	1.0
81.07065	17.5
83.05003	0.6
91.05486	5.1
93.07059	5.5
94.04272	0.4
95.04980	2.5
95.08610	6.3
97.06551	1.0
105.07035	10.5
107.04998	0.7
107.08607	5.6
108.05691	0.6
109.06525	13.3
109.10167	9.2
110.06086	0.5
110.06869	0.5
110.10490	0.5
112.87580	0.5
119.06097	0.9
120.90466	0.4
121.06502	1.0
121.10150	2.7
123.08083	6.3
123.11723	3.8
123.57546	0.4
131.08620	0.7
133.10132	5.3
136.07974	0.5
136.08820	2.8
151.02721	0.5
151.11189	100.0
152.07036	0.9
152.11545	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	152.0568
Annotation	guanine
Peak:m/z	Relative Intensity
50.01562	0.9
51.02328	2.4
53.00250	0.6
53.03905	1.3
53.48814	0.4
55.01841	1.0
55.02955	0.7
56.96525	0.6
62.37187	0.4
65.03902	0.5
67.05479	0.5
69.03432	2.9
69.10516	3.8
79.01857	21.7
79.05505	4.2
81.05758	1.1
81.07024	0.5
82.04031	0.7
82.06557	0.8
85.10869	0.5
91.05437	1.5
92.05807	4.1
93.03344	0.4
94.06566	0.9
95.04928	1.0
95.06080	0.6
96.04461	0.7
96.08096	1.5
97.02361	0.5
97.02890	4.2
97.06504	0.5
100.97640	0.4
104.57045	0.5
106.06554	16.8
107.01316	21.5
107.04949	5.3
109.05136	2.3
109.06434	0.4
110.03534	12.5
110.06008	0.9
111.04405	1.0
120.05257	1.8
123.00830	0.5
123.04393	0.7
123.06801	0.9
124.03918	0.9
124.07603	5.4
124.08536	0.7
125.02347	8.6
125.05986	0.6
128.04565	5.5
134.06018	77.6
135.00822	1.1
135.03027	22.2
135.04388	1.2
135.06369	2.5
143.03409	12.3
143.91197	0.4
146.24840	0.4
147.01405	0.9
152.05705	100.0
152.07051	18.7
152.08112	2.1
152.10742	1.2
153.01854	31.6
153.02953	6.8
153.04100	34.2
154.02510	1.2
154.04428	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	152.0707
Annotation	2-Amino-3-methylbenzoate
Peak:m/z	Relative Intensity
50.01603	0.5
51.02370	1.8
53.03933	1.1
55.01880	0.7
64.84704	0.4
65.03933	0.8
69.03423	1.6
69.12273	0.6
69.12672	3.6
77.03954	0.7
79.01863	13.0
79.05500	5.6
79.57640	0.4
81.05811	1.0
81.24731	0.4
82.06552	0.6
91.05471	0.6
92.05818	1.6
94.06558	0.8
95.04981	0.8
96.04525	0.6
96.08126	1.5
97.02913	3.0
98.23389	1.1
106.06565	26.1
107.01323	10.5
107.04969	6.4
107.06864	1.0
108.08141	0.5
109.05185	0.8
110.03547	3.4
110.06016	0.7
110.76743	0.4
115.02447	0.6
120.05289	0.6
123.04441	0.9
123.06801	0.6
124.03972	0.8
124.07606	4.3
125.02370	5.0
128.04561	1.1
134.06024	100.0
135.03043	6.2
135.04419	2.1
135.06371	3.6
143.03400	6.4
150.78773	0.4
152.05690	26.8
152.07077	25.1
152.08029	0.8
152.10670	1.1
153.01839	16.1
153.02966	5.0
153.04092	8.0
153.05411	0.5
153.07433	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	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.5
51.02384	7.1
52.80634	0.7
53.03946	1.1
55.01883	1.2
55.05508	3.7
57.03443	1.0
57.84561	0.8
65.03935	2.0
67.05509	3.4
69.03425	4.1
69.04273	1.6
69.04671	4.9
69.07057	2.9
71.04982	1.2
79.01857	57.4
79.05499	4.4
80.02166	1.3
81.07053	4.7
83.04988	2.7
83.08643	0.8
87.00853	1.0
91.05484	2.3
93.07041	8.2
95.04959	3.5
95.08604	4.6
97.02905	8.4
97.06522	4.8
99.07538	0.7
107.01320	12.2
107.08588	9.4
109.06522	2.8
109.10153	4.5
111.04440	2.0
111.08098	4.0
123.00777	2.0
124.04288	0.8
125.02369	16.4
126.05531	1.9
135.08018	1.7
135.11720	3.8
137.06032	1.4
142.08511	0.8
143.03404	40.9
144.03763	1.0
145.38026	0.7
148.97363	1.1
153.01833	100.0
153.02972	27.1
153.06619	1.6
153.09103	2.1
153.10201	1.1
153.12744	5.9
154.02185	3.4
154.04984	3.0
169.84169	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	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	2.2
51.02382	6.0
53.00298	0.5
55.01870	1.2
55.05507	0.4
63.79041	0.3
65.03962	0.3
67.05488	0.3
68.96335	0.3
68.99769	0.6
69.03429	2.0
69.07066	0.6
70.34688	0.2
71.95242	0.5
77.37488	0.3
79.01855	59.0
79.05503	0.6
80.02188	1.9
81.07042	0.5
87.00819	1.1
87.64790	0.3
91.05411	0.3
93.07032	0.8
95.01331	0.6
95.08543	0.3
97.02893	9.5
97.06551	0.5
98.23456	0.6
107.01317	11.4
107.08604	0.7
111.04406	0.4
112.96633	0.3
113.96591	0.3
123.00811	2.0
125.02351	17.2
125.06004	0.5
126.02671	0.8
130.52054	0.3
131.86707	0.3
135.11699	0.5
143.03397	41.1
144.03732	1.6
145.31508	0.3
151.50650	0.3
153.01819	100.0
153.02957	27.9
153.12715	0.4
154.02151	4.2
154.03333	1.2
154.05028	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	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	2.6
51.02385	7.1
53.00295	0.9
53.03938	0.7
55.01882	3.2
55.05509	1.1
56.96563	1.0
57.03418	0.7
60.42883	0.5
63.90269	0.5
65.03941	2.0
67.05525	0.7
67.59403	0.7
68.96322	1.4
68.99764	0.8
69.03432	7.1
69.07066	0.7
69.81524	1.8
70.06589	0.7
70.94243	1.5
73.57357	0.5
79.01857	61.3
79.05502	1.8
80.02197	2.7
80.05023	1.4
81.07031	0.7
83.04977	0.7
87.00820	0.9
91.05479	16.7
93.03445	0.7
93.07005	0.6
94.06546	1.6
95.01289	0.7
95.04970	0.8
95.06106	2.4
95.08635	0.7
97.02892	13.5
97.06531	2.0
100.02471	1.3
106.89861	0.6
107.01318	53.4
107.04955	1.9
107.06216	0.8
107.06908	2.3
107.08612	1.4
108.01624	1.5
108.04514	1.4
108.05311	0.6
109.06477	1.1
110.03604	1.0
111.03214	4.7
111.04472	3.5
111.05580	0.9
114.43468	0.6
118.03515	1.1
119.04944	8.9
123.00812	1.9
125.02357	28.0
125.05975	2.2
125.07858	1.0
126.02718	0.9
126.05510	11.1
126.06374	1.1
130.96318	1.0
131.01889	2.5
135.00783	1.4
135.05473	1.1
135.06375	11.3
136.03433	0.6
136.07555	2.2
137.05975	33.9
138.03148	0.8
143.03395	36.6
144.03703	1.6
148.97362	2.6
149.02927	1.0
152.90720	1.0
153.01828	100.0
153.02966	29.0
153.05524	4.4
153.06042	4.0
153.07445	1.2
153.10159	0.8
153.12730	0.8
153.90845	0.8
154.02211	4.2
154.03384	1.2
154.05109	4.7
154.08632	1.7
154.09785	1.2
154.13416	0.7
164.28503	0.5
168.86993	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	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	2.0
51.02385	6.6
53.00302	0.9
53.03929	0.8
55.01879	3.2
55.05521	4.7
59.04997	1.0
62.51835	0.7
65.03951	1.0
67.05509	2.1
69.03429	3.0
69.07059	2.6
70.94249	0.8
70.95872	1.5
71.04985	1.3
71.29352	0.7
71.29770	0.8
71.95279	3.8
73.06553	1.7
79.01862	55.6
79.05501	3.5
80.02190	1.3
81.07066	5.3
83.04992	4.8
83.08624	1.6
84.04520	1.4
88.24512	0.7
90.21322	1.0
91.05479	2.7
92.53147	0.7
93.07039	5.0
94.69311	0.7
95.01357	0.7
95.04991	1.3
95.08600	1.7
97.02902	9.2
97.06534	2.2
107.01328	12.3
107.04989	0.8
107.08605	4.8
108.04488	1.3
109.06549	1.4
109.10160	2.1
111.04449	1.8
111.08099	3.3
121.02893	2.0
123.00819	1.9
125.02366	17.5
125.06050	1.2
126.05473	2.1
130.96373	0.9
135.08044	1.2
135.11717	2.5
136.07646	1.0
143.03406	39.0
144.03735	1.7
153.01843	100.0
153.02989	26.9
153.06699	2.4
153.09117	2.9
153.10185	0.8
153.12794	3.5
154.02179	4.1
154.03314	1.3
154.05006	2.1
154.08559	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	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.3
51.02383	6.6
51.52116	0.4
53.00322	0.7
53.03958	0.4
55.01870	1.4
55.05510	1.5
57.03432	0.4
65.03946	0.5
67.05512	1.1
68.99799	0.7
69.03426	2.4
69.07079	2.1
70.04437	0.5
70.04773	0.7
70.94283	0.5
79.01856	59.5
79.05482	2.2
80.02194	1.2
81.07058	1.0
83.04982	0.4
87.00815	1.2
88.49406	0.4
88.88536	0.4
91.05481	0.8
93.03432	0.5
93.07044	1.9
95.01329	0.8
95.04986	0.9
95.08617	0.8
97.02900	9.7
97.06545	1.2
103.19384	0.4
103.20767	0.4
107.01321	14.8
107.04961	1.1
107.08585	2.3
108.04470	0.7
108.08050	0.4
109.06535	0.4
109.10144	0.7
109.62535	0.5
111.04425	1.4
111.08081	0.9
111.59937	0.4
120.41673	0.4
121.26147	0.4
123.00816	2.1
125.02350	19.5
125.05996	0.5
125.09634	0.4
126.02694	0.7
126.05661	0.5
130.96379	0.6
135.08070	1.0
135.11742	0.5
136.07614	0.5
137.02356	0.5
138.07780	0.4
143.03403	38.9
144.03749	1.4
153.01851	100.0
153.02985	28.0
153.05466	2.1
153.09096	1.3
153.10156	0.5
154.02190	4.8
154.03377	0.9
154.04927	2.2
163.55846	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	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	2.0
51.02381	5.3
53.00325	0.5
55.01880	1.5
55.05508	1.4
58.40397	0.3
60.47324	0.3
66.51038	0.3
67.05515	1.1
67.99294	0.3
68.99795	0.6
69.03439	2.6
69.07065	1.1
69.21296	2.4
79.01858	54.4
79.05498	1.9
80.02193	1.6
81.07070	1.8
83.04987	1.3
87.00825	0.8
91.05482	1.0
93.03399	0.4
93.07056	1.3
94.81436	0.4
95.01331	0.5
95.04993	0.5
97.02896	9.6
97.06520	0.8
98.03225	0.4
98.06071	0.8
107.01325	15.5
107.04963	1.6
107.08588	1.8
108.01643	0.7
108.04493	0.4
109.06522	0.9
109.10180	0.6
110.06051	0.6
111.04444	0.9
111.08082	0.7
123.00794	1.6
125.02356	17.7
125.06026	0.5
126.02695	0.6
126.09153	0.4
128.61581	0.3
135.08049	0.4
136.07610	1.3
138.03149	0.7
139.06311	0.5
143.03403	36.0
144.03780	1.4
153.01852	100.0
153.02986	29.4
153.05463	1.6
153.12788	0.8
154.02191	4.2
154.03336	1.2
154.05014	0.5
154.08624	9.6
165.07751	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	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	2.3
51.02383	7.7
52.46135	0.4
54.71951	0.4
55.01873	1.0
68.99780	0.8
69.03432	2.1
78.30428	0.4
79.01855	60.3
80.02200	2.2
81.07056	0.4
81.33913	0.4
83.04953	0.5
87.00829	1.4
93.07092	0.6
95.04990	0.5
97.02890	9.3
97.06556	0.4
107.01314	12.6
119.66037	0.4
123.00811	1.8
125.01443	0.9
125.02356	17.6
125.05984	0.7
126.02649	0.6
143.03397	41.8
144.03743	1.7
153.01846	100.0
153.02979	31.4
153.10223	0.5
154.02190	4.0
154.03310	0.9
172.56490	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	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.0
51.02379	7.7
55.01875	1.7
55.05511	0.9
59.04327	0.6
67.05501	0.8
69.03440	2.8
69.07085	0.8
69.68289	0.6
70.06871	1.3
70.07220	1.3
70.95882	1.3
71.95271	3.6
79.01862	56.9
79.05494	1.2
80.02196	2.0
80.05032	0.7
81.07066	2.2
83.04997	0.7
86.61395	0.6
87.00838	1.8
91.05508	0.8
93.06473	0.5
93.07053	2.2
95.04997	0.7
95.08612	0.8
97.02903	11.3
97.06522	0.6
107.01324	15.2
107.08601	2.4
108.79424	0.6
109.06530	0.7
111.04459	1.3
111.08093	1.3
118.12722	0.6
123.00825	2.2
125.01450	1.1
125.02364	19.2
125.06018	0.7
126.05515	1.7
127.95108	0.7
130.96373	0.9
135.11716	1.1
143.03409	39.9
144.03766	1.9
148.97400	1.1
153.01846	100.0
153.02986	28.7
153.09119	1.3
153.10231	0.8
154.02170	4.9
154.03255	0.8
154.05040	3.3
154.08601	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	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.01612	0.4
51.02386	1.5
53.00302	0.3
53.03947	0.5
54.71291	0.2
55.01868	0.8
55.05506	0.7
55.50166	0.2
57.03432	0.2
65.03615	0.4
65.03945	5.6
67.05491	0.5
69.03439	0.8
69.07076	0.8
77.03936	0.3
79.01860	11.3
79.05499	3.7
81.07062	1.7
82.04419	0.2
83.04984	0.8
83.08630	0.3
91.05491	0.5
93.03421	1.7
93.07042	1.2
94.04193	0.4
95.04978	1.6
95.08629	0.5
97.02885	2.0
97.06526	0.8
98.03709	0.4
98.23373	0.5
107.01324	2.8
107.04958	3.5
107.08604	1.5
109.06512	0.8
109.10133	0.2
111.04443	3.0
111.08073	0.4
121.02875	100.0
122.03211	4.2
123.00779	0.5
125.02366	4.4
125.06006	0.8
135.04460	0.7
135.08066	0.6
135.11739	0.3
143.03404	7.9
150.95422	0.2
153.01840	21.0
153.02980	6.4
153.05453	3.9
153.06662	0.3
153.09129	0.9
153.12772	0.6
154.02179	1.2
154.03310	0.3
154.04991	0.9
154.08571	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	153.1274
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03944	1.2
55.01860	1.0
55.05516	12.9
57.03442	5.4
57.07059	2.7
61.79298	1.2
65.03932	1.6
67.05509	32.8
67.12572	1.2
69.03424	1.8
69.07074	49.5
69.18718	1.0
69.56184	1.0
69.58099	1.9
69.58491	2.2
70.07410	1.2
71.04994	2.7
71.95267	7.1
78.09772	1.1
79.05068	2.0
79.05499	28.6
81.07064	40.8
83.04988	5.5
83.08608	4.7
85.06561	1.7
88.96948	1.0
91.05482	4.2
93.07049	46.5
94.07345	2.1
95.08060	1.5
95.08619	20.2
97.06537	20.2
105.07034	1.9
107.07867	2.6
107.08601	50.5
108.08929	2.6
109.05218	1.1
109.10164	34.9
111.08080	5.6
125.05988	1.4
126.05486	2.0
126.06350	1.4
135.11703	100.0
136.12021	5.6
138.05145	1.1
153.01768	1.3
153.05457	2.6
153.06494	1.7
153.07535	1.4
153.12756	80.8
154.05020	4.5
154.13094	3.6
154.15965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Junionone
Peak:m/z	Relative Intensity
51.02376	6.2
53.00311	1.4
53.03949	2.1
55.01883	2.8
55.05518	23.4
57.03428	3.4
57.07072	2.2
59.05014	9.2
65.03933	2.9
67.05180	1.6
67.05515	17.0
68.96328	1.7
68.99804	1.8
69.03426	5.8
69.06728	2.5
69.07072	26.8
70.86704	1.9
70.87043	2.0
71.04996	6.5
71.95264	3.0
73.06557	2.7
78.30154	1.2
78.39598	1.6
78.54063	1.3
79.01859	65.4
79.05499	12.3
80.05044	1.2
81.03481	1.8
81.07063	28.9
82.05257	1.4
83.04986	28.6
83.08620	4.2
87.88139	1.4
91.05491	8.6
93.07046	28.1
94.07378	1.7
95.04984	8.9
95.08614	68.6
97.02899	9.2
97.06545	15.9
98.23258	1.3
101.53892	1.2
105.07021	3.1
107.01326	14.1
107.04926	1.6
107.08604	27.9
109.06533	3.1
109.10159	34.6
110.10542	2.0
111.04468	4.5
111.08089	7.5
111.11723	2.4
119.08546	1.6
121.02921	4.9
123.00842	1.6
125.02361	18.4
125.06028	3.8
125.07091	1.4
125.09598	2.3
126.05537	4.2
135.05481	1.6
135.08064	3.3
135.09077	1.8
135.11667	13.3
136.07590	2.1
138.03099	1.4
143.03400	35.7
144.03751	2.4
153.01837	100.0
153.02980	30.1
153.05490	6.5
153.06590	2.9
153.09074	4.4
153.10201	1.9
153.12752	36.6
154.02176	4.6
154.03291	1.6
154.05028	10.8
154.08617	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02381	3.4
53.03949	4.1
55.05511	17.0
59.05005	7.1
67.05505	7.8
68.67266	1.7
69.03651	15.1
69.07084	10.8
69.37118	2.1
71.04998	31.6
73.06564	22.3
79.01863	22.9
79.05497	32.6
81.07065	100.0
82.98870	2.0
91.05476	9.7
93.07057	42.0
95.04976	3.0
95.08612	8.3
97.02908	4.0
97.06538	6.9
107.01305	5.5
107.08600	33.5
109.06517	2.0
109.10172	7.1
111.08054	4.3
122.04751	2.2
125.02363	7.3
135.11700	27.0
143.03407	17.2
153.01849	37.1
153.02992	13.5
153.12727	10.3
154.02170	2.5
172.79535	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00318	3.6
53.03959	4.2
55.05512	23.7
57.03427	3.4
57.07079	10.2
59.05005	9.7
67.05161	2.9
67.05511	10.1
68.38967	2.3
69.03439	5.2
69.07073	30.6
69.37343	4.0
69.37753	8.8
71.04993	30.1
73.06558	15.9
79.01867	31.6
79.05495	26.6
81.07061	100.0
82.07383	3.0
83.05001	12.2
91.05497	8.9
93.07049	44.0
95.08607	16.6
96.13255	2.3
97.02895	6.6
97.06531	25.9
105.07046	3.3
107.01337	6.5
107.08601	51.6
108.08989	3.1
109.10175	19.7
111.08077	16.1
111.11708	2.8
112.07614	3.1
114.61311	2.7
125.02370	10.8
126.48627	2.3
135.11703	31.9
143.03380	23.3
153.01845	51.7
153.02991	15.4
153.12740	21.5
154.02222	3.3
154.04988	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	153.1275
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
50.01582	2.8
51.02385	8.5
52.21290	2.7
53.00324	4.2
53.03946	6.4
55.01883	5.9
55.05515	24.4
57.03424	5.6
57.07068	9.4
58.20348	2.8
59.05011	14.2
65.03931	6.0
67.05197	3.2
67.05499	15.7
68.96346	5.5
68.99786	10.4
69.03423	5.7
69.07070	53.2
69.78419	2.5
70.87397	4.3
70.94245	3.0
70.95872	3.6
71.04992	25.2
71.95269	14.0
73.06548	12.3
79.01861	70.1
79.05498	38.8
80.02171	4.5
80.05032	3.9
81.07058	86.5
83.05006	17.9
83.08613	8.3
85.06506	2.5
91.05466	16.4
93.07047	55.9
95.04946	4.9
95.08610	20.6
97.02896	10.2
97.06527	40.5
105.07042	3.7
107.01314	15.5
107.04971	3.9
107.08595	56.8
109.06572	3.5
109.10164	27.8
109.98937	3.1
110.03625	3.7
111.04449	6.2
111.05583	3.1
111.08094	26.4
113.58421	2.7
119.08618	4.5
125.02354	23.0
125.05949	5.0
125.09626	7.0
126.05533	10.8
130.96268	4.0
135.08084	3.4
135.11684	33.2
136.03970	3.4
136.07585	5.3
143.03409	44.6
148.97375	11.3
153.01831	100.0
153.02969	26.5
153.05472	5.7
153.06558	4.6
153.09117	10.5
153.10229	3.6
153.12741	31.7
154.02191	7.0
154.05014	25.2
154.12263	6.2
170.56148	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01604	1.1
51.02383	2.9
51.15610	1.1
52.35546	1.0
53.00308	2.5
53.03939	2.5
55.01876	1.7
55.05519	15.1
57.07075	2.6
59.05012	7.5
65.03946	2.2
67.05512	7.4
68.96341	1.2
69.03441	2.9
69.07072	14.4
70.07403	1.1
70.54742	2.1
71.05000	30.1
71.95269	1.5
72.50150	1.3
73.06563	21.5
75.04505	1.2
79.01859	17.2
79.05067	2.0
79.05501	30.1
80.05826	1.2
81.07065	100.0
82.07411	2.8
83.04987	5.9
83.08617	2.4
83.96745	1.1
85.06565	1.2
91.05503	12.5
93.07051	38.1
95.04991	3.6
95.08599	9.1
97.02900	2.6
97.06530	8.6
105.04539	1.3
105.07052	2.6
107.01315	3.8
107.08604	34.0
108.04536	1.1
108.08913	1.4
109.06538	2.4
109.10174	9.4
110.10536	1.4
111.04442	2.7
111.08118	7.0
119.08611	1.1
120.09358	1.1
121.06490	1.3
125.02374	5.4
126.05513	1.7
135.11707	18.8
141.35184	1.1
143.03400	9.5
148.97372	1.5
153.01843	26.8
153.02983	6.6
153.09105	3.9
153.12782	11.0
154.02127	2.1
154.04999	3.4
172.31729	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	154.0863
Annotation	Dopamine
Peak:m/z	Relative Intensity
65.03937	1.0
69.42214	1.6
79.05495	0.4
81.07060	1.1
91.05481	43.5
92.05812	1.6
95.04967	0.4
109.06532	2.2
109.55607	0.3
112.07622	0.8
119.04944	25.0
120.05275	1.2
136.07568	1.1
137.05977	100.0
138.06310	3.4
143.47285	0.3
154.04980	1.5
154.06064	0.4
154.08664	0.9
154.12149	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.0
66.99135	0.4
70.76147	0.5
70.76481	0.7
73.86584	0.4
79.05486	0.6
79.51054	0.4
81.07069	1.3
83.05007	0.5
91.05488	44.4
92.05804	1.9
95.06091	1.0
108.03104	0.4
109.06502	2.4
119.04952	26.8
120.05267	1.3
125.69611	0.5
131.01886	0.5
134.33170	0.5
136.07622	0.5
137.05983	100.0
138.06326	4.0
154.02139	0.6
154.08667	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05515	6.2
56.05030	1.0
57.06837	0.4
57.07080	5.7
58.06604	0.3
61.23899	0.3
65.03939	0.5
67.05506	2.7
69.03419	0.8
69.07063	0.7
69.41774	1.5
70.06586	1.3
71.04996	1.1
72.93788	1.0
79.05492	2.8
80.02177	1.1
80.05013	0.6
80.05839	0.6
81.07059	8.6
82.06573	1.1
82.07393	0.5
83.04521	0.3
83.04970	1.9
83.07342	0.6
83.08608	1.4
84.08134	0.4
85.06541	1.0
85.49246	0.3
90.94851	0.3
91.05481	1.1
93.05776	1.0
93.07050	0.8
95.04948	0.9
95.08609	1.2
96.04459	0.5
96.05319	0.4
96.08124	0.5
97.05277	2.2
98.06058	3.1
98.09673	1.7
98.98457	0.9
99.04450	0.9
100.80182	0.3
108.04469	0.4
108.08120	3.4
108.08863	0.5
109.06526	5.5
109.10162	1.7
109.69693	0.3
110.06051	4.7
110.06786	0.5
111.04430	1.2
111.06828	4.6
111.08003	0.7
113.05987	0.6
113.96412	0.8
125.08360	1.0
126.02683	0.5
126.05481	0.9
126.09155	3.6
127.07585	0.5
131.96130	0.5
131.97444	0.7
136.07558	0.6
137.05956	0.6
137.09619	0.8
138.05476	1.1
139.06274	4.9
144.03746	0.8
148.97299	0.8
149.97095	0.4
152.07051	0.9
154.02202	2.5
154.05202	2.3
154.08627	100.0
155.07085	2.5
155.08984	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03927	1.5
55.01867	2.5
55.05513	8.9
57.03432	1.7
57.07087	1.2
65.03946	12.6
67.05506	83.6
68.05824	2.0
69.03407	1.7
69.07066	5.4
69.96192	5.8
70.95871	5.8
71.05001	4.6
71.94104	2.4
72.93790	8.0
72.99770	0.6
79.05492	4.3
81.03428	1.9
81.07061	26.5
82.07397	1.1
83.04985	3.8
83.06108	1.1
85.06588	1.0
86.00654	1.7
88.96939	1.2
90.94814	1.8
91.05502	3.4
93.03417	7.2
93.07045	3.9
95.04977	9.5
95.08609	8.1
97.06533	7.2
98.22588	1.9
98.98461	1.3
99.04463	9.5
99.08051	0.9
107.08574	3.7
109.02897	0.9
109.06513	3.3
109.10159	100.0
110.07166	7.1
110.09793	0.8
110.10487	4.1
111.04443	14.6
111.98473	1.8
113.06023	6.5
113.96405	1.7
117.07049	0.7
119.08598	2.5
127.03985	0.8
127.07617	1.0
131.96153	14.1
132.95862	6.9
137.02339	3.1
137.06071	0.9
137.09618	22.7
138.09930	1.1
149.97211	13.0
150.96864	9.6
153.28162	0.7
155.02274	1.5
155.03441	1.6
155.05940	4.5
155.07176	4.8
155.08315	1.3
155.10652	4.1
156.08347	3.4
156.37845	0.7
167.98299	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	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54742	1.0
56.05025	1.1
56.29540	1.0
57.00103	1.2
58.45388	1.2
71.27650	2.0
71.28018	1.4
74.09719	21.8
82.05305	1.3
83.06104	6.1
84.48434	1.2
93.04501	5.9
95.06087	4.4
96.96391	1.1
96.96898	5.8
98.03736	1.0
100.61325	1.2
108.77861	1.2
110.07168	58.1
111.05556	1.6
112.05283	7.4
130.06313	25.4
138.09171	1.1
150.90160	1.1
156.04218	100.0
156.07718	4.4
157.04538	1.5
157.09769	1.2
165.35513	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	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
54.03461	0.2
56.05039	1.1
67.42777	0.1
68.05030	0.9
70.06580	0.4
71.07331	0.3
81.04549	1.2
82.05319	2.7
83.06102	13.1
84.06477	0.2
86.06081	0.2
88.93057	0.2
93.04527	8.5
94.04834	0.3
95.06091	7.9
96.06413	0.2
101.00848	0.2
110.07163	100.0
111.05553	0.5
111.06844	0.5
111.07496	2.2
112.08704	0.2
119.01911	0.3
156.07680	6.3
157.08017	0.2
161.97417	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	156.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.0
63.42193	0.1
64.97552	0.1
68.05025	0.9
70.06591	0.2
70.95865	0.4
71.07236	0.2
72.93787	0.3
74.02466	0.1
81.04527	1.1
82.05320	2.5
83.06103	12.7
84.06435	0.2
93.04528	8.2
95.06091	7.2
96.06438	0.1
101.00867	0.2
110.07163	100.0
111.04850	0.2
111.05542	0.7
111.06831	0.3
111.07499	2.3
111.93604	0.1
112.08694	0.2
132.05069	0.2
132.95833	0.5
133.03461	0.2
135.56660	0.1
150.06110	0.1
150.96913	0.6
156.07690	6.4
174.95390	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	157.0496
Annotation	3-Methylmuconolactone
Peak:m/z	Relative Intensity
55.01872	2.3
56.96568	1.6
57.03441	1.0
57.93566	1.6
61.02913	0.5
64.22358	0.6
66.61187	0.5
66.63815	0.5
67.01866	1.2
69.03434	100.0
69.08739	5.0
70.03769	1.6
73.02881	0.7
75.94592	1.0
80.22238	0.5
85.02911	3.1
87.04460	0.7
97.02897	43.4
98.03230	1.1
98.97588	12.6
102.09207	0.7
111.04477	0.8
115.03947	3.2
116.97264	4.7
116.98612	8.5
134.99661	3.3
142.07809	2.4
148.96164	1.0
152.96945	1.7
157.04990	13.0
157.06226	0.9
157.07617	0.8
157.10211	1.5
158.09741	1.5
158.15419	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	157.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
56.96573	6.0
57.03420	1.9
57.07082	0.9
57.93561	5.1
67.01874	1.1
68.99782	1.6
69.03433	100.0
69.07041	1.1
70.03761	1.9
71.95252	2.1
74.93153	3.2
74.93812	1.5
75.94618	1.8
83.04978	0.8
85.02908	3.7
93.95659	1.8
97.02895	42.7
98.03197	1.0
98.97585	34.9
102.09171	2.9
111.04446	1.0
112.07614	1.2
115.03930	2.6
115.05414	1.3
115.96439	1.1
116.97276	13.2
116.98618	30.7
128.06242	1.2
129.07014	7.4
130.06522	0.9
130.99683	0.9
131.99535	1.1
134.95941	0.9
134.99661	22.4
140.00197	1.2
141.06999	5.8
142.07787	41.0
143.08165	1.6
148.96196	2.6
150.96944	1.2
151.97147	1.7
152.96927	4.5
153.00713	3.2
157.05008	13.0
157.06311	1.7
157.07626	2.6
157.10129	34.7
158.01225	1.7
158.09560	5.7
158.15437	4.5
169.07568	1.1
170.97849	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	157.0495
Annotation	Opuntiol
Peak:m/z	Relative Intensity
55.01868	0.5
55.05502	1.1
56.96574	1.9
57.03424	0.3
57.93571	2.1
65.03938	1.8
67.05500	0.6
68.02627	0.3
68.99788	0.7
69.03432	2.3
69.07040	0.6
69.16219	1.9
70.06595	12.2
70.95848	0.7
71.04982	0.4
71.95261	0.6
71.95893	0.7
72.93788	0.6
73.93829	0.3
74.93824	0.8
75.89922	0.3
75.94617	0.8
79.01846	1.1
79.05484	1.5
81.03419	0.4
81.06986	0.3
83.04990	2.0
84.04493	1.1
86.06074	0.6
87.04485	0.4
91.05485	0.4
92.94860	0.4
93.03420	0.4
93.07027	1.0
93.95652	0.7
96.02089	0.4
97.02890	57.3
97.06516	1.4
98.03217	0.9
98.06048	0.9
98.23357	0.6
98.97589	9.7
102.05492	0.3
102.09184	0.3
111.04441	7.7
111.08082	0.6
112.07616	3.1
115.96408	0.5
116.07074	2.2
116.97234	8.3
116.98602	8.2
121.04011	0.7
125.02353	100.0
126.02689	2.6
130.06496	0.7
130.54343	0.2
131.99527	0.6
132.95868	0.5
133.96049	0.7
134.95874	0.8
134.99658	5.2
139.03906	5.2
139.07513	0.4
140.07056	0.5
148.96169	0.9
150.96886	1.3
151.52440	0.3
151.97005	1.4
152.96921	3.2
153.00728	0.6
157.04964	6.0
157.07553	0.7
157.08661	0.4
157.13193	0.3
158.06047	0.6
158.08243	0.3
158.09677	0.6
158.15388	0.5
170.97954	0.3
175.98535	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	158.0602
Annotation	1-Nitrosonaphthalene
Peak:m/z	Relative Intensity
56.96569	4.3
57.03437	0.5
57.06830	0.4
57.07071	2.1
57.93568	3.6
68.94422	0.3
69.37317	1.2
69.37749	0.6
70.06604	2.7
71.95271	1.2
75.94620	1.7
84.04491	0.4
85.06551	0.6
91.05487	0.5
93.95652	1.2
95.08590	0.3
98.28563	0.3
98.97590	28.4
99.97922	0.3
100.50723	0.4
102.09196	1.9
103.05473	7.4
104.05811	0.8
104.69370	0.3
112.07629	0.9
112.08717	2.2
115.05453	4.0
116.07054	0.6
116.92628	0.4
116.97250	10.8
116.98618	19.8
128.04965	0.8
130.06534	100.0
131.04944	0.7
131.06877	18.8
131.41884	0.4
131.99548	0.5
132.04512	0.5
132.08060	0.7
134.95866	0.9
134.99670	10.5
140.00241	0.4
140.07021	0.4
140.10753	0.3
146.06020	0.4
148.96169	1.0
152.96922	4.1
153.00729	1.0
156.04523	0.4
158.06023	61.3
158.08037	5.2
158.09608	10.0
158.15427	2.8
159.04463	0.4
159.06349	3.6
159.09169	1.1
159.11726	0.3
170.98021	0.5
175.98537	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	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87612	0.6
60.05649	1.2
65.29771	0.6
68.05022	1.7
69.64832	0.5
69.71239	2.3
70.06596	100.0
71.04996	4.0
71.06929	3.4
85.07680	3.3
95.06090	3.3
97.07658	0.8
98.06061	1.2
98.22598	1.0
99.01956	1.4
99.04462	1.9
112.08734	80.4
113.07137	4.4
113.09067	2.1
115.08736	2.6
116.06323	1.1
116.07099	17.0
117.07458	0.9
138.28313	0.6
141.06577	5.6
158.09258	95.1
159.07672	1.6
159.09618	2.1
175.55460	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	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81931	0.5
68.05031	1.9
69.96648	1.9
70.06595	100.0
71.04996	3.2
71.06917	3.7
71.48872	0.6
85.07666	3.0
93.83996	0.5
95.06093	4.4
97.07627	1.4
98.06091	1.7
99.01945	1.1
99.04439	1.6
106.53498	0.6
112.08732	86.5
113.07128	5.3
113.08385	0.7
113.09084	1.3
113.43371	0.6
114.46108	0.7
115.08700	2.6
116.07098	20.2
141.06609	7.0
158.09258	96.8
159.07658	2.1
159.09634	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	159.0441
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
50.01614	0.2
51.02383	0.5
53.03949	2.8
55.01876	0.5
55.05534	0.2
67.38839	0.2
67.74277	0.2
71.02256	0.5
75.92353	0.2
77.03941	1.0
81.03435	0.5
84.04517	0.3
91.05483	0.5
95.04967	3.7
97.06563	0.3
98.97603	0.6
99.89882	0.2
102.04682	1.3
103.05470	100.0
104.05798	5.1
104.70090	0.3
105.03397	3.0
105.04478	1.8
114.05502	0.6
115.05467	0.9
116.98627	0.7
117.06966	0.3
118.06567	0.3
118.96780	0.4
130.06540	0.9
131.04929	72.9
131.08589	0.9
132.04428	0.4
132.05270	3.7
132.08089	1.5
134.99666	0.5
144.05693	0.3
144.09224	0.2
147.96414	0.2
159.04414	23.6
159.08051	0.7
159.09216	1.1
159.11655	0.9
160.04773	1.5
160.07573	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	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
56.96551	0.6
59.93116	0.4
63.88435	0.4
64.56159	0.4
69.31923	2.3
69.32337	0.6
78.27926	0.4
81.04565	0.4
91.05486	1.0
93.05807	0.5
98.97595	2.8
105.07023	1.6
115.05457	18.7
116.04999	1.1
116.05778	0.5
116.98606	1.0
117.04905	0.5
117.05762	17.5
118.06598	2.9
130.06531	26.4
130.75531	0.4
131.06824	1.0
132.08087	100.0
133.08414	4.6
140.04926	1.1
142.06519	24.1
143.07211	1.8
158.08363	2.4
159.09174	79.3
160.07578	27.3
160.09497	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	159.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.96576	1.0
57.03438	42.3
57.07076	100.0
58.03791	0.8
58.07406	1.9
59.05000	1.1
59.93106	1.4
61.02919	6.0
62.45747	0.6
67.05507	2.2
72.08189	0.7
81.07066	3.0
84.04509	6.0
85.06544	45.3
86.06888	1.4
87.04470	2.5
90.05582	0.8
91.05480	4.1
95.08599	4.8
98.97575	3.8
99.08074	0.8
103.05460	1.5
103.07581	25.7
103.86005	0.6
104.07943	0.7
105.07049	2.7
114.05530	8.0
115.05457	1.6
116.06258	1.4
116.98632	3.1
117.05795	1.0
117.07006	3.3
118.06574	1.3
118.96789	2.1
119.08621	1.6
129.07010	3.4
130.07845	1.2
131.04938	2.3
131.08556	6.4
132.04475	2.1
132.08092	4.6
134.88335	0.6
134.99667	2.8
136.00060	0.8
142.06558	0.8
144.05722	1.3
144.09346	3.7
154.96457	1.1
159.04443	1.6
159.07019	0.7
159.08066	2.3
159.09171	2.4
159.10201	21.9
159.11729	11.3
159.12978	0.7
160.06215	1.3
160.07555	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	159.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.96576	1.0
57.03438	42.3
57.07076	100.0
58.03791	0.8
58.07406	1.9
59.05000	1.1
59.93106	1.4
61.02919	6.0
62.45747	0.6
67.05507	2.2
72.08189	0.7
81.07066	3.0
84.04509	6.0
85.06544	45.3
86.06888	1.4
87.04470	2.5
90.05582	0.8
91.05480	4.1
95.08599	4.8
98.97575	3.8
99.08074	0.8
103.05460	1.5
103.07581	25.7
103.86005	0.6
104.07943	0.7
105.07049	2.7
114.05530	8.0
115.05457	1.6
116.06258	1.4
116.98632	3.1
117.05795	1.0
117.07006	3.3
118.06574	1.3
118.96789	2.1
119.08621	1.6
129.07010	3.4
130.07845	1.2
131.04938	2.3
131.08556	6.4
132.04475	2.1
132.08092	4.6
134.88335	0.6
134.99667	2.8
136.00060	0.8
142.06558	0.8
144.05722	1.3
144.09346	3.7
154.96457	1.1
159.04443	1.6
159.07019	0.7
159.08066	2.3
159.09171	2.4
159.10201	21.9
159.11729	11.3
159.12978	0.7
160.06215	1.3
160.07555	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.35353	0.6
56.96556	1.8
57.93583	0.8
59.93101	2.6
67.05510	3.9
76.93363	0.7
79.05492	1.7
84.04507	5.5
85.16056	0.6
86.83688	0.8
91.05486	8.8
95.08585	1.0
98.97575	3.9
99.97923	1.0
103.05469	3.1
105.07035	26.1
106.07306	0.7
111.58997	0.7
114.05537	7.5
115.05442	3.1
116.06245	2.1
116.98659	3.9
117.07025	17.1
117.98990	1.3
118.07352	0.7
118.96801	5.4
119.08593	8.7
123.08121	1.0
128.06204	1.1
129.06140	0.9
129.07014	12.4
130.07828	7.6
131.04922	2.6
131.08575	40.6
132.08881	1.9
134.99628	3.3
135.99954	0.7
141.07033	1.0
142.07770	2.0
143.08508	1.4
144.05669	1.0
144.09351	23.8
145.09712	1.4
154.96475	1.6
157.10127	5.4
159.04459	1.4
159.08202	3.5
159.11697	100.0
160.06078	2.3
160.07455	1.1
160.12041	5.4
176.85175	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	160.0758
Annotation	2721-59-7
Peak:m/z	Relative Intensity
59.38952	0.2
70.28830	0.1
70.80061	0.1
71.33170	0.3
73.10132	0.2
83.25124	0.2
91.05491	0.3
103.05465	0.2
105.07018	0.6
114.05525	0.3
115.05459	4.7
115.06268	0.3
116.05780	0.2
117.05748	2.5
117.61172	0.2
118.06592	1.3
118.96796	0.2
119.01944	0.2
130.06528	10.7
131.07390	1.6
132.08092	21.4
133.06499	0.3
133.07565	0.2
133.08414	1.1
142.06509	1.6
143.07310	2.1
155.30403	0.2
159.06773	0.6
160.07578	100.0
161.06970	1.5
161.07939	3.3
178.05608	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99842	0.4
71.29736	0.4
72.08148	0.8
73.18151	0.3
74.34142	0.3
79.07735	0.3
82.01468	0.5
82.99841	1.1
84.08144	7.5
94.92995	0.4
98.09686	0.6
100.02498	2.5
101.00882	19.4
101.02551	0.5
102.00945	2.6
118.03535	1.3
119.01921	100.0
120.02001	9.9
120.03022	0.5
120.03189	0.4
121.00783	1.0
121.01669	2.4
121.02354	0.4
126.92435	0.3
130.08661	1.4
136.05490	0.5
137.02956	39.1
138.03078	4.4
139.01801	1.9
139.02684	0.4
142.03506	1.3
143.03627	4.4
144.03249	0.8
160.04562	0.7
161.03038	3.0
161.04686	3.6
161.09659	0.4
161.12923	0.4
162.03139	1.5
162.04359	1.3
175.34499	0.3
179.04021	5.0
179.05763	1.3
180.04391	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03948	3.3
55.01874	4.6
55.05497	0.4
65.03960	0.4
66.04726	1.8
69.58481	1.5
69.58810	0.4
77.03926	1.0
79.05495	20.1
80.05827	0.6
84.04491	0.6
86.01325	0.4
88.04002	0.4
89.03921	1.0
90.04699	4.3
91.05492	4.7
92.02624	0.8
95.04993	3.0
97.02880	0.4
98.22682	0.6
102.04675	0.6
102.24863	0.3
103.05473	26.1
104.05798	0.6
105.04524	1.4
105.07034	100.0
106.07364	4.0
107.04972	0.8
115.05453	29.0
116.05055	0.5
116.05796	1.0
118.04165	21.2
119.01919	0.5
119.08590	1.4
120.06696	0.3
120.08074	0.4
131.04924	4.3
132.05667	1.2
133.06494	44.9
133.10126	0.9
134.05948	0.8
134.06857	2.0
136.64172	0.4
143.04988	0.6
143.06032	4.5
144.06531	0.5
144.08096	1.4
146.07283	0.6
161.05978	8.7
161.07141	1.2
161.09593	2.1
161.10745	0.4
161.13266	0.5
162.05481	7.8
162.06685	0.5
166.19711	0.4
183.48741	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02362	0.6
53.03946	2.8
55.01877	4.8
58.99581	0.8
66.04722	1.6
69.03420	0.7
70.69783	0.9
74.06073	1.2
79.05497	21.8
79.80363	0.5
80.05804	0.6
81.03419	0.6
84.04512	5.8
85.02873	0.6
89.03917	1.9
90.04706	3.8
91.05495	6.2
92.02647	1.2
92.38358	0.6
95.04961	3.8
97.02876	0.9
98.06052	1.2
102.04714	1.0
103.05472	29.5
104.05770	1.4
105.04563	1.7
105.07034	100.0
106.06746	0.5
106.07363	3.5
107.04939	1.5
115.05458	31.9
116.04980	2.3
116.05769	1.6
116.07088	0.7
117.07011	0.7
118.04162	22.0
119.08575	1.4
120.04449	0.9
120.08111	10.3
124.01571	0.5
131.04918	5.1
131.06879	0.6
131.08586	0.7
132.05717	1.5
133.06499	44.6
133.08516	1.6
133.10086	2.5
134.06012	1.5
134.06836	2.0
143.04999	1.0
143.06024	5.7
143.08514	1.2
144.04448	2.0
144.06610	2.0
144.08093	2.0
146.05629	0.8
146.07207	0.8
161.06023	7.3
161.07037	4.6
161.07976	7.2
161.09639	4.9
162.05499	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02375	0.7
53.03951	3.5
55.01876	5.0
57.16623	0.5
58.16230	0.4
58.99579	0.4
63.82806	0.4
65.03950	0.5
66.04713	1.5
69.20254	0.9
69.20670	2.0
74.06068	0.7
77.03900	0.9
79.05497	21.0
80.05820	0.5
84.04504	0.5
87.84691	0.3
89.03905	0.7
90.04695	3.4
91.05485	5.1
91.89751	0.4
92.02624	1.1
92.05816	0.4
95.04984	3.3
97.02897	0.5
102.04686	1.2
102.96861	0.5
103.05472	24.8
104.05802	1.1
105.04557	1.9
105.07034	100.0
106.07367	4.5
107.04967	0.9
115.05459	30.4
116.01678	0.4
116.05774	1.1
117.07047	0.6
118.04165	21.0
119.01929	1.1
119.04512	0.5
119.08590	0.9
120.96554	0.7
128.06219	0.5
131.04924	5.6
132.05699	1.7
133.06496	48.3
133.10117	1.4
134.05969	0.6
134.06866	2.3
134.08032	0.3
143.04973	0.6
143.06038	5.3
143.08578	0.5
144.08102	0.8
145.05205	0.6
146.03636	1.1
161.04596	0.5
161.05969	10.8
161.07150	2.1
161.09532	2.5
161.10776	0.4
161.13278	0.5
162.05525	1.7
162.07693	0.5
162.09023	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02396	0.9
53.03950	3.2
55.01878	4.2
55.05518	1.4
57.03457	0.5
58.99593	1.4
60.04528	1.1
65.03938	0.6
66.04729	1.3
67.05511	0.7
69.03437	1.1
70.74906	0.9
74.06086	1.1
77.03922	0.6
78.04722	0.6
78.48850	0.4
79.05496	20.2
81.03449	0.7
84.04510	1.9
84.08170	0.9
85.02946	0.8
86.99074	0.8
88.03993	0.5
89.03933	1.4
90.04710	4.2
91.05487	12.6
92.02623	1.0
93.07051	1.9
95.04967	3.3
97.02898	1.4
98.06057	0.7
102.04663	0.9
102.05543	0.6
103.01928	0.4
103.05474	23.7
104.05788	0.9
104.40887	0.4
105.04539	1.5
105.07035	100.0
106.07358	4.3
107.04978	1.5
115.05457	24.6
116.01686	0.7
116.04995	0.9
116.05756	0.9
116.07078	0.5
117.07015	6.3
118.04171	19.4
118.07755	0.6
119.01937	0.5
119.05004	0.9
119.08598	4.0
121.06521	1.4
122.06884	0.4
126.05537	0.6
128.06233	4.6
131.04959	4.5
131.08565	2.8
132.05688	1.2
133.06499	52.9
133.10139	9.0
134.03625	3.0
134.05972	0.4
134.06897	1.9
134.10475	0.6
143.04982	0.7
143.06033	4.6
143.08548	3.4
144.06511	1.4
144.08101	0.5
145.05209	1.2
145.06406	0.9
146.03676	0.5
146.07281	3.1
161.05008	0.3
161.05989	9.0
161.07077	2.4
161.08017	3.1
161.09608	15.8
161.13275	1.1
162.03227	0.9
162.05489	8.0
162.07645	0.6
162.10072	0.4
179.81952	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	161.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.9
53.03950	3.2
55.01878	4.2
55.05518	1.4
57.03457	0.5
58.99593	1.4
60.04528	1.1
65.03938	0.6
66.04729	1.3
67.05511	0.7
69.03437	1.1
70.74906	0.9
74.06086	1.1
77.03922	0.6
78.04722	0.6
78.48850	0.4
79.05496	20.2
81.03449	0.7
84.04510	1.9
84.08170	0.9
85.02946	0.8
86.99074	0.8
88.03993	0.5
89.03933	1.4
90.04710	4.2
91.05487	12.6
92.02623	1.0
93.07051	1.9
95.04967	3.3
97.02898	1.4
98.06057	0.7
102.04663	0.9
102.05543	0.6
103.01928	0.4
103.05474	23.7
104.05788	0.9
104.40887	0.4
105.04539	1.5
105.07035	100.0
106.07358	4.3
107.04978	1.5
115.05457	24.6
116.01686	0.7
116.04995	0.9
116.05756	0.9
116.07078	0.5
117.07015	6.3
118.04171	19.4
118.07755	0.6
119.01937	0.5
119.05004	0.9
119.08598	4.0
121.06521	1.4
122.06884	0.4
126.05537	0.6
128.06233	4.6
131.04959	4.5
131.08565	2.8
132.05688	1.2
133.06499	52.9
133.10139	9.0
134.03625	3.0
134.05972	0.4
134.06897	1.9
134.10475	0.6
143.04982	0.7
143.06033	4.6
143.08548	3.4
144.06511	1.4
144.08101	0.5
145.05209	1.2
145.06406	0.9
146.03676	0.5
146.07281	3.1
161.05008	0.3
161.05989	9.0
161.07077	2.4
161.08017	3.1
161.09608	15.8
161.13275	1.1
162.03227	0.9
162.05489	8.0
162.07645	0.6
162.10072	0.4
179.81952	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	161.0921
Annotation	D-Alanyl-D-alanine
Peak:m/z	Relative Intensity
55.05514	6.9
56.05052	3.4
56.05860	2.8
56.71229	2.5
57.03439	5.9
58.06605	4.4
60.08167	47.0
61.08525	3.3
65.24555	2.3
69.03458	3.0
69.92407	5.0
69.92801	5.8
70.06596	77.3
72.81898	2.4
73.61548	3.4
74.06085	3.4
80.75869	2.3
82.21010	2.1
84.04491	14.4
84.08157	15.2
85.02908	27.1
85.06539	10.5
90.05554	38.6
94.93021	10.8
97.02892	4.4
97.08430	2.7
98.06087	4.8
101.00885	6.7
101.06004	3.5
101.45928	2.6
102.05540	3.3
102.06388	5.7
102.09180	21.6
102.71086	3.0
103.03948	53.9
112.08723	10.5
115.08711	4.5
116.07108	3.4
119.01926	21.9
137.02951	5.3
144.06566	6.0
156.97491	2.5
161.13736	10.8
162.11264	100.0
162.14903	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03722	0.5
53.06020	0.5
55.01876	0.9
60.99186	0.5
61.14862	0.4
61.92424	0.5
65.46061	0.6
69.03433	1.0
74.07265	0.5
79.05482	0.8
79.50843	0.5
91.05487	4.0
93.07048	3.4
103.05478	0.6
105.07037	40.5
106.07336	1.6
107.04969	2.6
108.58711	0.5
116.06245	0.8
117.07009	1.8
119.08611	3.1
121.06516	17.0
122.06847	1.2
128.06238	4.2
131.04958	4.1
131.08574	2.1
132.05664	1.5
133.06525	2.8
133.10135	25.0
134.10481	1.4
143.08586	3.1
145.06477	4.2
146.07278	32.0
147.07616	1.1
159.08075	1.6
161.09628	100.0
161.13234	1.5
162.09978	6.2
184.90465	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01864	0.9
55.05499	0.9
56.05040	0.3
60.04517	0.4
61.54032	0.3
63.00017	0.3
65.03941	0.3
67.05497	0.6
69.03431	1.7
69.71021	0.3
69.71333	1.2
74.06062	0.5
77.03912	0.3
79.05493	4.0
81.07037	0.3
84.04515	1.7
85.02894	0.3
88.76646	0.3
91.05485	6.7
92.05790	0.3
93.07055	2.1
95.04948	0.6
97.02878	0.6
103.05455	2.7
105.07033	27.0
106.06604	0.4
106.07359	1.6
107.04954	0.8
107.08585	0.4
115.05443	2.7
116.07130	0.3
117.07005	2.0
118.04157	0.7
119.04944	0.5
119.08585	4.9
120.08096	0.5
121.06513	3.9
127.05453	0.2
128.06226	20.2
129.06564	0.8
131.04932	2.4
131.08568	2.1
132.05690	0.8
133.06519	4.0
133.10133	12.1
134.08203	0.3
134.10474	0.5
141.06972	0.8
143.08565	21.5
144.06584	0.9
144.08923	1.2
145.06491	6.5
146.03615	0.3
146.07275	9.2
147.07625	0.9
155.06033	1.2
155.42145	0.3
159.08054	5.5
160.08363	0.5
161.06149	1.8
161.09618	100.0
162.05510	3.5
162.07787	0.3
162.09995	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01878	0.6
55.05505	0.8
62.76991	0.2
63.68800	0.2
65.03912	0.4
69.03428	1.8
69.12386	0.2
69.15111	1.7
74.06069	0.2
75.21628	0.2
79.05491	3.9
81.07041	0.4
84.04502	0.6
85.81768	0.3
91.05483	5.7
92.05797	0.3
93.07030	1.2
95.04988	0.6
97.02876	0.3
98.22465	0.3
103.05469	2.8
104.06300	0.3
104.72744	0.2
105.07034	24.7
106.07366	0.9
107.04932	0.7
107.08587	0.3
115.05442	1.9
116.07047	0.4
117.07021	1.6
118.04136	0.3
118.07798	0.6
119.04932	0.6
119.08579	3.7
121.06503	3.3
127.05419	0.3
128.06229	19.3
129.06595	0.9
131.04927	2.5
131.08586	2.0
132.05713	1.0
133.06494	3.3
133.10133	10.3
134.06879	0.3
134.10475	0.6
141.06985	1.0
142.07744	0.5
143.08568	21.0
144.06549	0.4
144.08957	1.2
145.06493	6.6
146.07281	9.1
147.07607	0.7
155.06030	1.4
159.08070	4.9
160.08539	0.4
161.09621	100.0
162.05507	1.9
162.09973	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01879	1.2
55.05521	4.0
56.05038	0.8
60.04532	0.6
65.03940	0.8
65.28425	0.5
67.05505	5.6
69.03437	2.1
69.07076	3.6
70.06591	0.5
70.52364	0.5
71.29130	0.7
72.04520	1.2
74.06088	1.4
79.05490	10.4
80.05009	0.7
81.07059	12.3
83.08631	0.6
84.04521	2.1
85.02905	1.6
86.02435	0.5
88.03988	1.0
91.05486	28.0
92.05808	0.8
93.07046	10.0
95.04992	1.4
95.08617	3.1
96.04521	0.5
97.02929	1.1
98.06043	0.9
103.05456	3.0
104.42001	0.5
105.07034	74.9
106.07330	3.5
107.04970	1.4
107.08598	2.7
109.54620	0.4
115.05449	2.8
117.07027	5.9
118.04207	0.5
118.07842	0.5
119.04967	0.6
119.08582	44.4
120.06543	0.5
120.08128	0.6
120.08846	1.0
121.06511	8.9
121.10166	1.2
121.71468	0.5
126.05599	0.7
128.06221	13.3
129.06573	0.7
131.04886	2.4
131.08591	5.0
132.05736	0.9
132.09395	1.0
133.06522	4.7
133.10133	42.1
134.05989	0.7
134.08139	1.0
134.10501	1.4
141.06966	0.7
143.08560	13.7
144.06569	1.5
145.06479	4.0
146.07271	17.4
146.10954	0.5
147.07594	1.0
155.05984	0.7
159.08044	2.2
159.11728	1.1
161.05956	2.6
161.07164	3.4
161.09621	100.0
161.13260	37.0
162.05495	5.0
162.07631	1.1
162.10040	5.9
162.13612	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01847	0.4
55.05497	1.4
60.04524	0.5
67.05499	1.6
69.03435	0.8
69.07072	0.9
69.26025	0.8
69.26435	1.7
72.45528	0.4
73.13765	0.4
74.06098	0.5
76.29880	0.4
79.05507	2.2
81.07060	4.1
85.02902	0.5
86.02385	0.5
88.03847	0.4
89.09377	0.4
91.05486	7.1
93.07047	3.9
95.04958	0.4
95.08570	0.5
98.22657	0.5
103.05459	1.3
105.07038	48.8
106.07353	2.2
106.50369	0.4
107.04984	2.0
107.08569	0.4
115.05427	1.3
116.06257	0.5
116.07075	0.6
117.07030	2.4
119.04866	0.7
119.08591	10.8
120.08891	0.7
120.97856	0.5
121.06511	18.4
122.06873	0.5
128.06224	4.3
130.90005	0.4
131.04918	3.4
131.08545	1.9
132.05695	1.2
133.06517	3.1
133.10135	27.3
134.08109	0.4
134.10498	1.1
143.08577	3.3
144.06546	0.7
145.06499	3.7
146.07275	30.3
147.07613	1.7
159.08046	1.4
161.09625	100.0
161.13252	9.5
162.05525	1.4
162.07715	0.4
162.08974	0.4
162.09993	5.4
162.13603	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01847	0.4
55.05497	1.4
60.04524	0.5
67.05499	1.6
69.03435	0.8
69.07072	0.9
69.26025	0.8
69.26435	1.7
72.45528	0.4
73.13765	0.4
74.06098	0.5
76.29880	0.4
79.05507	2.2
81.07060	4.1
85.02902	0.5
86.02385	0.5
88.03847	0.4
89.09377	0.4
91.05486	7.1
93.07047	3.9
95.04958	0.4
95.08570	0.5
98.22657	0.5
103.05459	1.3
105.07038	48.8
106.07353	2.2
106.50369	0.4
107.04984	2.0
107.08569	0.4
115.05427	1.3
116.06257	0.5
116.07075	0.6
117.07030	2.4
119.04866	0.7
119.08591	10.8
120.08891	0.7
120.97856	0.5
121.06511	18.4
122.06873	0.5
128.06224	4.3
130.90005	0.4
131.04918	3.4
131.08545	1.9
132.05695	1.2
133.06517	3.1
133.10135	27.3
134.08109	0.4
134.10498	1.1
143.08577	3.3
144.06546	0.7
145.06499	3.7
146.07275	30.3
147.07613	1.7
159.08046	1.4
161.09625	100.0
161.13252	9.5
162.05525	1.4
162.07715	0.4
162.08974	0.4
162.09993	5.4
162.13603	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02385	0.3
53.03943	0.8
55.05513	6.5
65.69468	0.2
67.05501	0.4
69.07075	3.2
71.28637	0.3
74.06065	0.4
79.05499	2.6
81.07062	1.6
84.04519	0.4
88.30634	0.2
91.05486	9.9
92.05809	0.3
93.07035	1.5
95.04951	0.3
103.05472	1.7
104.06248	0.4
105.07036	18.7
106.07352	0.7
107.08604	1.7
115.05426	0.6
117.07021	3.2
118.04172	0.8
118.07819	0.3
119.08584	100.0
120.08900	4.2
121.06528	0.4
121.10159	4.2
131.04907	0.4
131.08568	3.4
132.09361	0.4
133.06499	0.9
133.10133	22.2
134.08119	0.4
134.10475	1.1
143.08507	0.4
144.06525	0.4
145.80853	0.3
146.03627	0.4
146.07233	0.5
146.10893	1.8
147.04407	0.3
159.11708	1.6
161.05965	2.3
161.07028	0.6
161.08084	0.6
161.09631	3.3
161.13268	25.6
162.05495	1.2
162.13582	1.0
165.05103	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	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01887	0.5
55.05520	1.4
58.02965	0.5
60.04529	0.8
64.25317	0.4
65.03938	0.4
65.24358	0.5
66.98408	0.3
67.05511	1.0
69.03445	0.6
69.07078	0.8
71.09826	0.8
74.06090	0.8
77.03966	0.4
79.05480	2.3
81.07064	2.6
84.04507	0.7
85.02908	0.5
86.02457	0.6
88.04012	0.4
91.05484	7.3
93.07063	2.0
95.04967	0.5
95.08630	0.5
102.96892	0.6
103.05454	2.2
105.07040	25.1
106.06561	0.4
106.07355	0.7
114.05596	0.4
115.05455	1.1
116.07090	0.5
117.07021	2.6
119.08589	100.0
119.96717	0.5
120.08892	3.3
121.06479	0.8
121.10094	0.5
128.06218	0.7
131.08583	1.5
133.06499	1.8
133.10138	12.6
134.10492	0.8
143.08554	0.5
144.06540	1.1
145.10182	0.6
146.03627	0.7
146.07253	2.1
146.10905	0.8
159.11717	0.5
161.05984	1.8
161.07121	1.6
161.09628	6.4
161.10901	0.7
161.13268	16.9
162.05498	1.5
162.07637	0.6
162.13615	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	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.45178	1.1
54.51862	1.0
55.05524	5.2
55.05728	1.0
57.97988	1.0
67.05506	14.9
69.07070	6.9
69.15246	7.3
79.05069	1.3
79.05500	18.6
81.07063	22.9
82.07394	1.0
82.65564	0.9
83.08615	1.8
91.05484	53.3
92.05798	2.2
93.07043	18.9
95.08623	8.4
96.92152	1.0
103.05458	2.8
103.35762	1.1
105.07036	84.0
106.07341	2.3
107.08596	5.3
107.50648	1.0
117.07008	7.0
119.08583	100.0
120.08913	3.4
131.08559	3.3
133.10133	60.3
134.10472	2.6
145.10098	1.5
146.07269	1.0
159.11681	3.3
161.05896	1.1
161.09633	3.0
161.13258	88.4
162.05458	2.2
162.13583	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	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03948	0.6
55.05499	1.0
56.05027	0.3
67.05505	0.3
69.07059	1.0
72.11285	0.2
74.06061	0.6
79.05490	1.8
81.07055	1.6
82.41534	0.2
84.04501	0.3
88.03967	0.3
91.05482	7.4
93.07047	1.5
95.04935	0.4
95.78326	0.2
97.02878	0.3
98.06065	0.6
103.05467	1.2
104.06240	0.4
105.07037	16.8
106.07361	0.8
107.08595	0.3
115.05473	0.6
117.07028	2.2
119.08583	100.0
120.08906	3.1
121.10152	0.5
131.08572	1.0
133.06497	0.6
133.10138	7.8
134.08170	0.4
134.10509	0.4
143.08536	0.7
144.06561	0.5
146.07341	0.4
146.10831	0.4
159.11763	0.3
161.05946	1.1
161.07062	0.6
161.09621	2.7
161.13269	13.3
162.05518	1.0
162.07677	0.4
162.13622	0.8
165.82753	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	1.3
55.05515	6.0
55.08944	0.6
59.25372	0.5
60.04536	1.4
65.03938	0.8
67.05508	3.5
69.03406	0.8
69.07069	7.5
74.06066	0.9
79.05499	7.3
81.07066	13.0
83.08625	0.6
83.55372	0.5
84.04511	0.9
85.02937	0.6
86.02418	1.0
89.42234	0.5
91.05485	18.6
92.05795	0.7
93.07048	9.1
95.04982	0.8
95.08595	1.4
97.02927	0.6
98.06036	0.9
102.81671	0.5
103.05472	3.0
104.06283	0.9
105.07037	69.8
106.07380	2.4
107.04955	0.6
107.08582	2.9
117.07036	6.2
119.08587	100.0
120.08856	2.7
121.10170	1.3
126.05559	0.6
128.06229	0.6
131.08551	5.5
132.09351	0.9
133.06497	0.8
133.10138	35.7
134.06007	0.6
134.10495	2.0
143.08624	0.7
144.06583	1.6
144.09366	0.7
144.97575	0.5
145.10097	0.9
146.07253	1.1
146.10899	2.9
158.48546	0.5
159.11745	2.4
161.05965	1.2
161.07140	3.6
161.09631	4.2
161.13269	53.9
162.05513	1.3
162.07648	1.2
162.09064	1.0
162.13618	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03951	1.5
55.01873	0.8
55.05517	5.5
60.04522	0.9
65.03939	1.1
67.05511	17.3
67.05876	0.9
69.07072	6.3
70.01112	1.6
70.01466	1.6
74.06084	1.4
79.05498	20.5
79.05969	1.0
81.07057	25.7
82.07402	0.8
84.04491	0.8
85.02912	1.2
85.86533	0.8
91.05486	55.5
92.05806	1.3
93.07044	19.3
95.04953	1.1
95.08617	9.5
98.06042	0.6
103.05468	3.0
104.06250	1.3
105.07035	87.7
106.07379	2.5
107.08608	4.4
115.05414	1.6
117.07038	7.7
118.04158	0.9
119.08586	100.0
120.08866	3.4
120.97927	0.8
128.06201	1.4
131.08600	4.9
132.09335	1.7
133.06476	3.0
133.10136	60.1
134.10474	2.9
143.08609	1.5
144.06491	1.4
145.10088	0.9
146.07283	0.8
146.10963	1.0
159.11725	2.8
161.05962	1.7
161.07092	2.2
161.09679	6.1
161.13263	83.1
162.05499	3.2
162.07596	1.4
162.08958	1.0
162.13611	5.0
177.59470	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	162.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01871	0.4
55.05515	2.9
56.01388	0.2
56.05039	2.8
56.98747	0.1
57.03429	0.7
57.04550	0.1
58.02979	0.1
58.06602	5.9
59.06911	0.2
59.23463	0.1
60.04525	0.5
60.05654	1.1
60.08168	1.4
61.02920	0.3
68.05035	0.3
69.03436	1.1
69.36794	0.2
69.37207	0.5
70.02974	0.1
70.06595	100.0
71.04996	2.3
71.06922	1.5
72.04512	0.4
73.02925	0.2
73.20232	0.1
74.06082	14.6
75.06430	0.2
77.03898	0.1
79.05498	0.6
80.05032	0.2
81.03419	0.6
81.07063	0.1
82.06578	0.1
84.04511	3.3
84.08168	0.4
85.02914	2.4
85.06548	9.2
87.00831	0.3
88.04006	0.4
88.07632	0.5
89.89649	0.1
91.05476	0.2
92.02618	0.2
95.04974	0.6
95.06098	0.2
96.04517	0.3
97.02910	0.9
98.06053	1.5
98.09698	0.4
98.23387	0.1
99.04481	0.2
101.00886	0.2
101.02403	0.3
102.00987	0.2
102.05545	7.4
102.09181	0.6
103.00624	0.2
103.03935	1.8
105.03415	0.5
105.04530	0.2
106.06573	0.3
107.04989	0.3
109.02882	0.1
112.08736	8.2
116.07105	1.3
116.10772	0.4
117.05579	0.2
117.07035	0.1
119.01957	0.4
120.02013	1.4
120.06586	9.4
120.08102	0.4
120.96515	0.2
121.01656	1.1
121.06906	0.1
125.56473	0.1
126.05532	1.3
127.03941	0.5
130.06555	0.2
130.09770	3.3
131.04982	0.1
132.08040	0.2
133.02855	1.4
134.03622	0.1
134.06026	0.2
134.07138	0.1
134.08144	0.3
135.04413	1.8
135.05403	0.2
135.08148	0.1
138.02046	0.1
138.03108	0.7
139.02722	0.5
144.03281	0.4
144.06563	3.6
144.11316	2.7
144.13797	0.7
162.03290	0.2
162.04375	0.2
162.05550	1.2
162.07678	0.7
162.09111	0.3
162.11264	2.9
162.12459	0.4
162.14880	0.8
163.03914	6.0
176.66237	0.1
180.04398	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	162.0762
Annotation	4-Methyl-L-glutamate
Peak:m/z	Relative Intensity
51.54173	0.1
53.03941	0.4
55.01880	0.3
55.05513	2.7
56.01401	0.2
56.05040	2.2
57.03440	0.6
57.04562	0.2
58.02970	0.2
58.06604	5.0
59.05014	0.1
60.04530	0.6
60.05653	0.9
60.08173	0.9
61.02930	0.3
67.05493	0.1
67.67499	0.1
68.05029	0.4
68.29870	0.1
69.03435	1.0
69.31372	0.1
69.58878	0.3
69.59279	0.2
70.06596	100.0
71.04993	2.1
71.06291	0.1
71.06920	1.5
71.07288	0.1
72.04516	0.2
72.08147	0.2
73.02920	0.3
74.06084	11.8
75.06410	0.1
78.22472	0.1
79.05499	0.4
80.05035	0.1
81.03413	0.3
81.07033	0.1
82.06618	0.1
83.47120	0.1
84.04510	2.7
84.08152	0.4
85.02911	2.1
85.06548	9.8
85.07635	0.2
86.02435	0.2
86.06880	0.2
87.00855	0.3
88.03986	0.2
88.07645	0.6
92.02638	0.2
95.04943	0.5
95.06109	0.2
96.04517	0.2
97.02899	1.1
98.06057	1.3
98.09708	0.2
99.04474	0.2
99.08125	0.1
101.02389	0.2
102.01004	0.2
102.05548	6.0
102.09180	0.6
103.00648	0.4
103.03943	1.5
104.68070	0.1
105.03445	0.4
105.04539	0.2
105.07020	0.1
106.06575	0.3
107.05000	0.2
112.08735	8.8
113.09083	0.2
114.05562	0.2
115.03942	0.1
116.05032	0.1
116.07108	1.0
116.10745	0.3
117.05632	0.1
118.06596	0.1
119.01931	0.3
120.02007	1.9
120.03273	0.1
120.06589	7.4
120.08099	0.3
121.01667	1.3
121.02419	0.1
126.05513	1.0
126.06207	0.1
127.03919	0.4
130.05081	0.1
130.06563	0.2
130.09770	3.5
131.10063	0.1
132.08099	0.2
133.02858	1.3
134.06047	0.3
134.08186	0.2
135.04427	1.4
135.05432	0.2
137.02969	0.2
138.03059	0.8
139.01807	0.2
139.02757	0.6
144.03299	0.3
144.06560	3.4
144.11322	2.8
144.13782	0.6
145.05101	0.1
145.06844	0.1
162.04327	0.3
162.05554	1.2
162.07663	0.8
162.09114	0.2
162.11270	2.1
162.12466	0.4
162.14928	0.6
163.03915	4.2
163.07596	0.2
180.04276	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	162.0761
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
50.50330	0.3
53.03946	0.7
55.01871	0.4
56.05038	7.0
58.06635	0.3
60.04541	1.3
61.02967	0.4
65.68235	0.3
69.03452	0.4
69.37972	1.2
69.38391	0.8
72.04523	0.6
74.06078	1.9
79.05483	1.6
84.04508	100.0
85.02917	2.8
85.04852	1.5
86.02419	0.6
89.03917	1.8
91.05476	1.3
93.07042	1.3
95.04967	0.8
97.02898	0.6
98.06065	0.9
102.04855	0.9
102.05546	18.0
103.05431	1.7
105.03423	1.2
105.07034	0.8
106.06596	0.8
106.07345	0.8
107.04959	1.7
107.08592	0.6
115.05408	0.6
116.04993	1.8
116.07095	5.4
117.03390	1.2
117.05680	0.5
117.07034	0.9
119.08588	0.7
120.06624	0.5
120.08115	5.6
121.06523	0.4
121.10113	0.4
121.51839	0.3
122.71746	0.3
126.05527	0.7
126.72039	0.3
130.06508	1.2
131.04906	1.3
132.08067	1.0
133.02826	1.3
134.05988	1.5
134.06879	0.3
134.08084	0.5
135.04425	3.5
136.33707	0.3
138.78500	0.3
144.04430	1.2
144.06563	14.7
145.02835	0.7
145.05161	0.4
145.06575	0.4
162.05469	11.3
162.07600	2.4
162.09122	1.2
162.12656	0.4
163.03899	6.0
163.06026	0.4
163.07486	0.8
163.11105	1.0
163.12338	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	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.44989	0.5
53.03943	2.2
63.02377	2.0
68.98545	3.0
68.98943	1.2
72.99241	0.5
77.03933	0.9
79.05497	11.4
81.39055	0.4
89.03922	78.1
90.04255	2.5
95.04943	3.2
105.04527	1.5
106.06436	0.5
107.04962	13.0
117.03383	65.8
118.03748	2.4
127.08318	0.5
135.04420	100.0
136.04785	3.4
145.02856	40.9
145.03905	1.7
145.16116	0.5
146.03156	2.4
155.23708	0.5
163.03909	69.7
164.04257	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	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.96214	0.5
53.03952	1.5
55.54913	0.5
55.79403	0.4
57.21987	0.5
63.02383	1.8
70.67752	0.5
77.03938	1.0
79.05497	10.3
89.03922	76.0
90.04263	2.2
95.04989	2.7
105.04517	1.1
107.04955	14.3
108.05251	0.5
117.03384	65.9
118.03757	2.1
135.04420	100.0
136.04738	3.2
145.02855	41.6
145.03842	1.5
146.03207	1.3
157.70882	0.6
163.03912	71.7
164.04265	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	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01594	0.7
53.03948	3.1
63.02384	1.6
65.73272	0.6
69.48833	2.9
69.85345	0.6
77.03938	0.7
79.05067	0.9
79.05499	11.0
89.03919	79.6
90.04249	3.0
91.05480	0.9
91.72499	0.6
95.04960	2.8
103.05450	1.6
105.04521	0.7
107.04960	13.0
108.35048	0.6
115.05466	0.6
117.03381	62.6
118.03715	2.1
130.06502	1.2
131.04965	1.4
132.02065	1.1
133.02888	0.9
135.04417	100.0
136.04732	4.4
145.02850	37.2
145.03914	1.7
146.03185	1.9
163.03908	76.6
163.11064	0.9
163.12364	1.0
164.04272	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	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
52.80821	0.5
53.03950	4.9
55.01878	2.3
55.05513	1.1
55.26679	0.6
57.03439	6.8
61.02928	7.1
62.01605	0.6
63.02380	1.6
65.03948	0.7
67.05506	0.7
69.03433	16.6
71.04996	1.7
73.02921	3.3
73.13758	0.6
77.03945	1.2
77.78230	0.5
79.05496	14.3
80.05041	1.4
81.03413	5.3
81.07069	2.3
84.08120	0.8
85.02908	42.2
86.03246	0.7
87.04478	1.1
89.03922	68.0
90.04272	2.2
91.03955	0.9
91.05478	4.8
92.02661	1.3
93.07050	4.6
95.04980	6.0
97.02891	7.0
99.04440	1.8
101.02348	0.8
103.05470	57.3
104.05821	1.8
105.03400	4.0
105.04523	2.2
105.07043	1.7
106.06575	2.5
107.04960	16.2
107.08602	2.3
109.02889	3.5
109.06544	1.2
115.05436	0.8
117.03383	54.0
117.05755	1.4
117.07023	2.6
118.03732	1.3
118.06601	0.7
119.04917	1.5
119.08601	1.0
120.08109	1.4
120.97964	0.6
121.06507	12.9
121.10161	1.4
122.06039	0.7
127.03916	3.0
130.06546	5.3
131.04935	56.4
132.05280	2.2
132.08092	6.2
133.02846	5.7
134.06061	0.6
135.04420	100.0
135.08028	2.2
136.04768	3.1
136.07547	1.2
145.02855	35.3
145.03906	1.8
145.06511	0.9
145.10100	0.6
146.03223	1.7
146.05959	1.7
147.04492	0.7
163.03908	84.2
163.07526	12.2
163.11172	5.6
163.12347	3.1
164.04340	3.7
164.07057	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02386	0.5
53.03949	1.0
55.01870	0.4
55.25381	0.2
62.80107	0.2
63.02400	0.2
65.03967	0.2
66.86473	0.2
67.05515	0.3
69.03442	0.3
69.07112	0.3
71.30841	0.3
77.03935	0.7
79.05505	1.7
80.05012	0.3
81.03369	0.3
81.07048	0.9
83.08620	0.2
85.02895	0.3
89.03928	1.1
91.05485	1.5
92.02604	0.3
93.07040	1.2
95.04984	1.8
95.08617	0.4
95.18320	0.2
102.04669	0.4
103.05472	82.3
104.05798	2.6
105.03397	0.9
105.04535	0.7
105.07060	1.4
106.06561	0.7
107.04957	2.5
107.08594	1.6
115.05505	0.5
117.03363	0.8
117.05736	0.6
117.07044	0.6
119.08563	0.3
120.08092	0.4
121.06509	0.7
121.10117	0.4
130.06540	1.3
130.07616	0.3
131.04930	100.0
132.05247	4.1
132.08086	1.7
133.02824	1.4
135.04413	2.5
135.08067	0.8
135.11656	0.5
136.07516	1.0
144.60165	0.2
145.02893	0.3
145.06488	0.3
145.10121	0.8
148.05212	0.7
163.03915	6.7
163.07542	39.7
163.11180	1.4
163.12321	0.9
163.14842	0.6
164.04349	0.4
164.06824	0.4
164.08165	1.3
164.14413	0.2
177.90100	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	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01600	0.3
50.47640	0.3
51.02384	0.5
53.03941	1.1
54.02370	0.3
55.01871	0.7
55.05494	0.4
65.03938	0.5
67.05493	0.4
69.03434	0.4
70.31193	0.8
71.35056	0.3
77.03892	0.5
79.05501	4.8
81.07055	1.1
84.08157	0.4
85.02924	0.4
89.03931	2.5
91.05478	3.1
92.02643	0.3
93.07034	2.1
95.04965	2.0
95.08624	0.4
102.04675	0.5
103.05472	86.8
104.05791	3.1
105.03412	1.7
105.04517	1.1
105.07018	1.8
106.06571	1.0
107.04958	5.2
107.08598	3.7
110.46428	0.3
115.05473	1.1
117.03357	1.0
117.05759	0.6
117.07030	1.3
119.04909	0.4
119.08558	0.6
120.08096	0.7
121.06514	0.9
121.10152	0.9
122.09672	0.4
130.06557	1.5
131.04932	100.0
132.05229	3.4
132.08086	2.0
133.02863	2.0
135.04422	4.7
135.08063	3.1
135.11652	0.5
145.02859	0.9
145.10086	0.6
146.05934	0.3
148.05154	1.0
163.03915	9.3
163.07545	43.2
163.11174	1.8
163.12346	1.4
163.14851	0.9
164.08165	1.5
164.10690	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.59977	0.1
51.02372	0.3
53.03719	0.2
53.03928	0.8
60.06819	0.2
60.60101	0.2
61.07377	0.2
63.02373	0.2
69.05573	0.3
69.05977	1.3
70.92622	0.2
71.45042	0.2
77.03946	0.6
79.05504	1.0
81.03375	0.2
81.07034	0.3
84.08136	0.2
89.03909	0.5
91.05494	0.8
92.02599	0.3
93.07040	0.5
95.04970	1.1
102.04663	0.3
103.05470	85.8
104.05809	3.0
105.03410	0.5
105.04556	0.4
105.07014	0.6
106.06522	0.2
107.04945	1.6
107.08568	0.9
115.05477	0.3
117.03353	0.4
117.05756	0.2
117.07029	0.4
119.08585	0.2
120.05726	0.4
121.06518	0.5
121.10176	0.3
130.06535	0.7
131.04929	100.0
132.05252	3.8
132.08063	1.0
133.02867	0.5
135.04416	1.7
135.08031	0.7
135.11740	0.2
136.62267	0.2
145.02817	0.3
145.10107	0.3
148.05191	0.3
163.03935	3.2
163.07544	41.6
163.11208	0.7
164.08018	1.6
177.44962	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	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
55.05520	10.7
57.03442	44.5
57.94425	1.2
59.04994	2.4
63.02386	1.8
63.52831	1.2
65.03960	1.1
69.03435	3.4
69.17117	7.7
71.04980	5.4
71.08636	5.8
79.05493	22.1
81.07058	40.1
85.02900	5.0
85.06551	2.9
89.03923	72.1
90.04245	2.5
91.05499	3.3
93.07057	1.5
95.04961	3.7
97.02907	1.2
98.96991	1.2
99.08090	14.3
99.90383	1.3
103.05470	5.9
105.03425	2.1
105.04506	2.5
105.07004	2.7
107.04959	10.7
107.08559	1.3
109.06525	19.6
115.64568	1.2
117.03388	60.8
117.07015	2.1
117.09130	10.0
118.03709	2.0
118.06538	2.0
119.04942	1.5
121.06492	4.8
127.07568	14.4
130.06517	4.8
131.04941	5.5
132.08104	4.0
133.02831	5.4
135.04425	100.0
136.04732	3.9
145.01721	2.1
145.02859	34.2
145.03934	1.9
146.03188	1.8
155.09647	1.3
163.03912	85.4
163.07550	3.3
163.11150	1.4
163.12329	2.0
164.04286	3.4
164.07063	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	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03947	9.2
55.01874	1.6
55.05505	1.7
55.83803	1.0
57.03440	6.4
59.04985	1.3
61.02905	1.1
65.03952	2.0
67.05498	0.9
68.12858	1.0
68.99802	1.7
69.03420	2.5
69.24506	4.9
71.04978	3.3
71.08633	7.2
77.03918	2.6
78.95273	0.9
79.05067	1.6
79.05495	20.0
80.05016	1.1
80.05829	1.6
81.03428	1.4
81.07059	23.3
83.04962	0.9
84.08160	1.0
85.02896	2.9
85.06535	2.9
89.03920	20.0
90.04239	1.0
91.05486	9.3
92.02640	2.7
93.07039	5.8
95.04961	11.8
98.22619	1.8
99.08099	10.0
103.05472	42.3
104.05800	1.9
105.03397	9.5
105.04511	3.6
105.07024	5.2
106.06554	3.3
107.04958	18.3
107.08598	3.3
108.04517	0.9
108.05213	1.5
109.06516	20.1
115.05442	1.9
117.03381	15.6
117.05788	2.8
117.07004	5.1
117.09154	8.6
118.03621	1.1
118.06524	1.7
119.04967	5.0
119.08599	1.1
120.02048	1.1
120.08102	1.1
121.00787	1.0
121.02863	1.8
121.06508	15.4
121.10130	1.5
127.07546	7.8
130.06540	6.9
131.04935	48.2
132.05263	2.3
132.08109	7.3
133.02856	14.9
135.04424	46.9
135.08055	2.7
136.03862	1.2
136.04839	2.6
136.07538	3.2
145.02878	9.6
145.03952	1.7
145.06531	7.2
145.07559	1.5
145.10103	1.1
146.00327	0.9
146.06012	2.4
148.05165	1.0
163.03911	100.0
163.07527	22.8
163.08514	1.4
163.11172	2.7
163.12340	3.7
164.04411	4.2
164.07053	17.5
164.08292	1.4
164.10701	1.5
164.14317	1.7
165.63895	0.9
181.02826	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03944	5.5
55.01865	3.0
55.05498	4.0
57.03429	2.3
65.03929	1.5
67.05500	3.8
69.03439	7.6
69.07060	3.1
69.29148	0.8
71.04975	1.9
77.03931	1.6
77.70351	1.0
79.05492	22.1
80.05023	2.0
81.03423	1.3
81.07066	10.2
83.04959	2.2
83.08633	1.2
84.08145	1.8
85.02895	1.9
89.03915	18.4
90.04245	1.0
91.05495	18.8
92.02641	1.2
93.06473	1.8
93.07047	34.3
93.07634	2.1
94.07368	1.9
95.04967	13.5
95.08598	4.1
96.05348	1.0
103.05467	13.7
105.03415	5.1
105.04517	3.0
105.07037	21.9
106.05016	1.0
106.06565	6.6
106.07201	1.6
107.04956	10.4
107.08598	40.9
108.08164	1.0
108.08893	1.9
109.06512	3.0
115.05429	4.5
117.03383	14.5
117.05754	6.1
117.07004	11.7
118.06543	1.0
119.08585	12.1
120.08081	2.8
121.06499	11.1
121.10140	30.1
122.06039	1.7
122.10453	1.0
129.06990	1.7
130.06546	12.2
130.07776	7.3
131.04941	12.1
132.08101	14.3
133.02882	5.9
133.06488	1.9
133.10164	1.9
135.04425	34.5
135.08049	8.8
135.11690	15.0
136.04758	2.2
136.07533	1.7
143.08545	1.7
145.02847	10.2
145.06525	2.2
145.10127	31.7
146.10487	2.1
147.08022	0.9
148.08800	3.0
163.03908	44.5
163.07552	9.3
163.11174	100.0
163.12321	9.9
163.14793	5.7
164.04375	1.4
164.07050	3.3
164.11537	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02377	1.4
53.03945	6.7
54.04279	0.8
55.01875	2.0
55.05515	22.0
57.24329	0.6
61.17188	0.7
65.03944	1.1
66.76057	0.7
67.05502	2.5
69.03432	39.4
69.07074	1.5
69.35984	3.2
77.03931	1.3
79.01859	4.7
79.05495	11.1
80.05020	0.8
81.07073	3.0
82.56285	0.8
83.04990	1.5
89.03921	1.1
91.05487	20.2
92.02628	0.7
93.07052	13.6
93.41427	0.8
95.04974	7.5
95.08616	2.5
98.22678	1.1
103.05476	5.9
105.03385	2.8
105.04533	2.8
105.07030	19.4
106.06559	2.6
106.07281	0.8
107.04963	9.2
107.08598	13.5
108.05709	2.4
109.06523	7.6
115.05460	2.7
117.05758	2.0
117.07020	5.8
119.06145	0.9
119.08595	8.8
120.09357	1.2
121.06511	100.0
121.10130	5.0
122.06861	2.9
122.09663	1.6
123.08083	16.0
129.07021	2.4
130.06541	6.0
130.07773	3.3
131.04938	1.8
132.08087	6.5
133.02847	3.0
133.06496	4.2
133.07494	1.2
135.04434	4.8
135.08060	13.8
135.11696	4.5
137.09532	0.7
145.06456	0.9
145.10126	6.5
147.08002	1.1
148.08813	3.3
162.57506	0.9
163.03902	12.4
163.05173	1.2
163.07509	1.4
163.11180	61.0
163.12297	3.4
163.14830	1.4
164.07060	1.3
164.11496	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02369	1.4
53.03944	6.9
54.63573	1.2
55.01875	8.1
55.05510	5.3
57.03440	2.3
65.03934	2.0
67.05508	11.6
69.03417	4.8
69.07059	4.4
71.04985	9.8
77.03944	1.5
77.41418	1.0
79.05499	50.2
80.05016	1.2
80.05837	2.0
81.03417	1.7
81.07056	13.5
83.04961	3.6
84.08163	1.3
85.02906	2.3
89.03926	16.4
89.35513	1.1
91.05486	56.0
92.05829	1.9
93.07046	57.4
94.07330	1.3
95.04971	10.3
95.08603	3.0
97.06492	2.2
99.65327	1.0
103.05457	11.1
105.03397	5.2
105.04513	3.0
105.07033	25.5
106.06554	4.3
107.04958	16.1
107.08595	29.8
108.08250	1.3
108.08990	1.4
109.06532	3.2
113.80547	1.1
115.05451	4.8
117.03391	13.6
117.05782	5.3
117.07011	27.6
118.06535	1.2
119.04866	1.2
119.08584	47.3
120.08111	2.4
120.08918	1.8
121.06512	38.0
121.10152	21.7
129.06973	3.1
130.06561	8.7
130.07742	8.2
131.04956	7.6
132.08092	11.4
133.02850	5.6
133.06453	2.6
133.10196	2.5
135.03375	1.8
135.04417	34.7
135.08054	11.1
135.11696	22.1
136.04773	1.6
136.07584	1.3
143.08516	2.9
145.02846	8.9
145.06480	1.9
145.10121	40.7
146.06004	1.5
148.08775	1.3
163.03914	49.1
163.07549	8.4
163.11179	100.0
163.12306	7.2
164.04294	2.9
164.07022	6.8
164.11542	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	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03951	6.1
55.01867	1.5
55.05236	1.1
55.05511	21.7
55.65489	0.6
57.03430	1.0
57.07073	0.8
59.04980	1.1
65.03923	1.5
65.21555	0.6
67.05514	2.1
69.03432	36.5
69.07058	2.6
69.93045	2.5
71.04977	0.7
71.12960	0.7
73.02921	1.6
77.03951	0.9
79.01875	3.4
79.05498	12.6
81.03408	1.3
81.07047	2.9
83.04977	1.9
84.08182	0.8
85.02897	1.1
89.03948	1.2
91.05481	19.9
93.03401	1.4
93.07040	12.3
93.79325	0.7
95.04961	7.7
95.08617	3.1
95.73596	0.6
103.05470	13.3
105.03383	1.8
105.04530	1.7
105.07037	15.5
106.06571	1.7
107.04972	7.7
107.08598	15.7
108.05758	1.4
109.06512	6.1
115.05445	2.4
117.03404	0.8
117.05750	1.8
117.07013	6.8
119.06068	1.5
119.08589	7.8
120.09344	0.9
121.06506	100.0
121.10146	6.9
122.06789	1.7
122.55205	0.8
123.08073	14.0
129.06992	1.2
130.06566	5.7
130.07745	4.9
131.04942	7.7
132.08125	4.8
133.02859	1.6
133.06520	2.9
133.07544	0.9
133.10086	0.7
135.04436	5.3
135.08057	17.6
135.09090	1.0
135.11690	4.6
136.07545	0.8
143.08508	1.0
145.02795	1.1
145.10115	6.8
147.08017	0.8
148.08800	4.7
151.42041	0.7
163.03917	10.9
163.07559	4.0
163.11183	73.1
163.12282	3.2
164.07080	1.9
164.11571	3.5
165.28130	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03936	4.1
55.05514	8.4
57.07086	3.7
65.03950	1.8
67.05511	5.0
69.03440	1.3
69.07069	31.7
70.48447	0.7
77.03894	0.8
79.05068	1.4
79.05497	20.7
80.04993	0.9
81.03419	0.9
81.07056	10.1
83.08616	12.6
84.08152	1.8
89.03923	8.1
91.05479	16.5
93.07041	31.0
93.07633	1.5
94.07388	1.3
95.04974	5.5
95.08620	9.6
102.22348	0.7
103.05489	5.7
105.03397	4.5
105.04529	2.3
105.07034	20.9
106.06557	3.4
106.07278	1.1
107.04958	3.7
107.08594	100.0
108.08922	3.4
108.09515	1.1
109.06504	2.4
109.10133	2.4
117.03384	5.1
117.05752	3.3
117.07018	3.1
118.06580	0.9
119.06083	1.9
119.08575	11.5
120.08094	2.5
120.09381	1.0
121.06509	3.0
121.10143	89.2
122.09648	3.1
122.10498	4.2
123.08028	1.0
130.06509	8.6
131.04929	7.0
132.08083	9.7
133.02878	4.7
133.07596	1.9
133.10132	0.9
135.04410	15.0
135.05423	1.4
135.08078	2.7
135.11693	45.6
136.07610	0.9
136.12038	3.0
137.09570	1.0
140.97226	0.8
145.02826	3.3
145.06519	1.7
145.10112	5.3
147.09236	0.9
163.03903	23.0
163.05016	0.9
163.07455	4.3
163.08755	1.3
163.11157	10.8
163.12349	6.8
163.14821	31.0
164.04272	1.3
164.07037	3.4
164.10703	1.0
164.15288	1.2
183.30135	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	164.0707
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
51.53188	0.3
53.03948	2.1
55.01874	0.9
65.03928	0.3
66.78110	0.3
69.03428	0.4
69.13419	2.1
69.13838	0.5
73.21057	0.3
74.06026	0.3
78.95309	0.4
79.05495	0.9
81.07038	0.5
83.04997	0.3
90.04257	0.9
91.05481	10.7
92.05807	0.7
93.07047	13.9
94.07386	0.5
95.04976	2.8
96.05319	0.4
97.13406	0.3
101.00876	2.4
103.05478	9.9
104.05807	1.2
105.04540	0.9
105.07040	2.1
106.03719	0.4
107.08586	0.5
108.08187	0.4
108.08930	0.6
109.06558	0.4
118.03644	0.7
118.06589	1.9
119.01929	11.7
119.04946	9.3
119.08575	1.3
121.06512	100.0
122.06023	0.6
122.06831	3.6
122.10453	0.5
124.02416	0.5
132.05289	0.9
133.02826	0.5
135.04434	3.5
136.04788	1.5
136.07571	1.5
137.02974	4.6
137.05963	0.8
142.03514	7.1
146.06018	14.9
146.10538	0.6
147.04417	4.1
147.06360	0.3
147.08052	0.6
147.11761	0.7
160.04552	2.2
164.07068	96.4
164.11551	1.4
164.14354	0.9
165.05440	0.7
165.07457	2.9
165.12799	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26366	2.7
73.43869	0.5
82.01416	0.8
82.99837	5.2
85.37518	0.5
85.90460	0.4
101.00884	47.6
102.00945	2.1
119.01923	100.0
120.01979	5.0
124.02446	6.4
137.02959	19.1
137.04012	0.9
138.03050	1.0
142.03503	62.7
143.03616	3.5
152.94965	0.5
160.04562	13.7
161.04691	1.1
165.05099	0.9
166.09035	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	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03954	0.5
55.30535	0.3
65.03942	1.8
71.05227	0.6
79.05509	0.4
91.05483	31.2
92.05833	1.1
93.07037	0.7
95.04971	3.1
101.00884	2.0
103.05472	3.0
107.04980	0.5
109.06520	0.5
119.01949	4.7
119.04946	59.1
120.05255	2.1
120.08112	21.3
123.04440	4.4
131.04964	0.6
136.66743	0.3
137.02959	0.9
137.06006	0.3
142.03519	2.4
147.04411	100.0
148.04753	4.3
160.04562	0.8
165.05510	0.8
165.09038	0.3
166.08688	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	165.0548
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02375	0.5
53.03954	4.4
55.01871	0.5
58.73132	0.2
65.03944	1.6
67.05506	0.8
67.82161	0.2
68.99770	0.3
70.11028	0.5
70.11387	0.5
77.03930	2.0
77.41257	0.3
81.03379	0.3
81.07072	0.5
83.71385	0.2
91.05485	22.2
92.05787	0.3
93.07047	2.0
94.04198	0.5
95.04973	79.1
96.05294	2.0
101.00883	0.5
103.05470	5.2
105.04537	2.4
107.04967	0.3
109.06528	4.3
116.36127	0.2
119.01922	1.1
119.04948	56.8
120.05252	2.1
121.06498	2.3
123.04434	100.0
124.04778	3.5
137.05989	2.1
142.03474	0.9
147.04413	15.0
148.04742	0.6
165.05472	2.0
166.07233	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	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.67056	0.2
55.01867	0.5
55.05505	0.3
65.03941	2.2
67.05508	1.8
69.07036	0.3
70.38583	0.3
70.38913	0.5
71.04984	0.3
77.85274	0.2
79.01833	0.4
79.05495	1.5
80.05862	0.3
81.07052	0.9
83.04987	0.4
91.05483	33.9
92.05815	1.0
92.39486	0.2
93.07040	1.6
95.04971	3.6
95.08598	0.9
101.00873	1.6
103.05476	1.0
105.03378	0.4
105.07033	2.0
107.04977	0.3
107.08601	0.8
109.06509	0.7
109.10151	1.0
109.34095	0.3
112.40695	0.3
117.12111	0.3
118.83763	0.3
119.01944	5.1
119.04948	61.2
119.08569	3.3
120.05257	2.0
120.08104	3.6
121.06512	0.6
121.10127	0.4
123.04440	4.1
123.08075	1.5
125.47164	0.3
126.29760	0.3
133.02905	0.4
137.02960	1.7
137.05067	0.3
137.05998	1.0
137.09579	1.3
142.03503	3.0
143.03578	0.5
147.04413	100.0
147.11702	0.5
148.04742	5.2
160.04558	1.2
165.05498	1.8
165.07588	0.6
165.09126	2.0
165.12755	0.7
166.04999	1.1
166.08594	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	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03955	0.5
57.03431	0.4
65.03940	1.8
67.05511	1.1
77.03953	0.3
79.05499	0.8
81.07040	0.5
81.71247	0.4
85.21990	0.4
91.05486	31.8
92.05827	1.1
93.07021	0.7
95.04977	2.1
95.08614	0.8
101.00881	0.6
101.96828	0.3
103.05473	0.7
105.07041	1.2
109.06548	0.5
109.10133	0.6
109.67911	0.3
119.01951	2.2
119.04949	56.8
119.08589	1.5
120.05267	2.3
120.08109	2.4
123.04422	1.5
123.08076	3.0
137.05995	0.9
137.09532	0.5
142.03484	1.6
147.04413	100.0
148.04756	4.1
153.02966	0.3
160.04556	0.4
165.05487	1.1
165.09117	1.6
166.04982	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
65.03937	2.3
66.81702	0.2
67.05507	0.9
69.03412	0.2
75.53890	0.2
79.01845	0.3
79.05494	0.6
80.08427	0.2
81.07066	0.6
91.05484	34.1
92.05807	1.1
93.07060	0.7
95.04974	2.4
95.08613	0.6
98.23412	0.3
101.00896	0.5
103.05454	1.1
105.07030	1.8
107.04918	0.2
107.08584	0.2
109.06516	0.4
109.10175	0.4
117.06988	0.3
119.01981	1.9
119.04946	60.9
119.08566	3.2
120.05248	2.3
120.08121	3.2
120.08939	0.3
121.06494	0.3
121.10106	0.2
123.04425	2.7
123.08064	0.8
137.02933	0.5
137.05981	0.4
137.09599	0.4
142.03476	1.2
147.04411	100.0
148.04752	4.2
152.81172	0.2
159.80266	0.2
160.04558	0.5
165.05492	1.5
165.09109	1.3
165.12727	0.2
165.14725	0.5
166.04993	0.6
166.08577	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	165.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05509	3.1
56.18738	0.4
60.24297	0.3
65.03945	0.8
67.05508	20.3
68.05855	0.6
69.03429	0.8
69.07071	0.8
69.60040	0.8
69.60448	1.4
70.06589	0.4
77.22941	0.4
79.05499	3.7
81.03416	1.0
81.07061	9.8
82.99852	1.4
83.04985	4.6
91.05486	7.3
93.07069	2.1
94.04158	0.5
95.04971	2.1
95.08604	3.5
96.04490	0.6
100.02493	0.6
101.00883	14.8
102.00923	0.9
103.05469	1.0
105.03393	0.8
105.07027	2.2
107.04953	4.1
107.08598	1.8
109.06507	2.4
109.10162	20.3
110.10483	0.7
116.77034	0.4
117.07019	0.8
119.01926	62.9
119.08586	15.2
120.02006	4.8
120.08124	1.3
120.08905	0.7
121.06538	2.1
121.10148	0.7
122.03666	0.4
122.07295	13.6
123.08154	0.8
123.09993	0.5
124.02505	2.3
125.02581	0.4
127.11482	0.4
133.02856	1.7
135.08066	0.7
137.02969	26.0
137.05980	3.3
137.09622	49.0
138.03084	1.9
138.09975	2.1
141.44858	0.4
142.03508	38.4
142.96687	1.4
143.03645	2.9
147.04395	0.9
147.08028	1.1
147.11717	0.6
148.07526	0.4
150.06744	0.5
160.04558	14.1
161.04663	0.8
165.05466	3.0
165.09122	100.0
165.12689	2.6
166.05083	1.0
166.09648	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	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03947	0.9
55.05509	3.1
56.18738	0.4
60.24297	0.3
65.03945	0.8
67.05508	20.3
68.05855	0.6
69.03429	0.8
69.07071	0.8
69.60040	0.8
69.60448	1.4
70.06589	0.4
77.22941	0.4
79.05499	3.7
81.03416	1.0
81.07061	9.8
82.99852	1.4
83.04985	4.6
91.05486	7.3
93.07069	2.1
94.04158	0.5
95.04971	2.1
95.08604	3.5
96.04490	0.6
100.02493	0.6
101.00883	14.8
102.00923	0.9
103.05469	1.0
105.03393	0.8
105.07027	2.2
107.04953	4.1
107.08598	1.8
109.06507	2.4
109.10162	20.3
110.10483	0.7
116.77034	0.4
117.07019	0.8
119.01926	62.9
119.08586	15.2
120.02006	4.8
120.08124	1.3
120.08905	0.7
121.06538	2.1
121.10148	0.7
122.03666	0.4
122.07295	13.6
123.08154	0.8
123.09993	0.5
124.02505	2.3
125.02581	0.4
127.11482	0.4
133.02856	1.7
135.08066	0.7
137.02969	26.0
137.05980	3.3
137.09622	49.0
138.03084	1.9
138.09975	2.1
141.44858	0.4
142.03508	38.4
142.96687	1.4
143.03645	2.9
147.04395	0.9
147.08028	1.1
147.11717	0.6
148.07526	0.4
150.06744	0.5
160.04558	14.1
161.04663	0.8
165.05466	3.0
165.09122	100.0
165.12689	2.6
166.05083	1.0
166.09648	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	165.0912
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03943	2.3
55.01870	2.1
55.05244	0.5
55.05512	8.0
57.03445	0.7
59.62170	0.4
65.03936	2.2
67.05506	62.6
68.05853	1.5
69.03433	2.1
69.07063	2.5
71.04982	1.1
71.28683	0.7
79.01851	0.5
79.05495	13.7
81.03442	1.3
81.06583	0.9
81.07059	16.9
83.04991	2.2
91.05484	16.7
93.07040	7.6
95.04969	21.9
95.08605	12.3
96.05299	0.6
101.00896	2.6
103.05453	3.1
103.41849	0.4
104.06256	0.7
105.04523	0.5
105.07043	5.2
107.04978	6.4
107.08583	6.9
109.02913	1.0
109.06528	8.7
109.10158	100.0
110.10484	4.0
110.20702	0.4
111.04495	0.6
114.31853	0.4
115.05406	0.7
117.07020	3.2
119.01922	11.6
119.04939	2.9
119.05727	0.5
119.08582	17.2
120.02041	1.2
120.08113	16.5
120.08869	0.8
121.06489	0.9
121.10140	1.0
122.07309	3.1
123.04451	3.4
123.08086	2.7
127.03934	0.7
132.05708	0.8
135.08124	0.5
136.08765	0.6
137.02986	3.1
137.05981	2.2
137.09616	61.1
138.05499	0.5
138.10013	2.3
142.03511	6.0
143.03572	0.9
147.04425	3.3
147.08040	7.2
147.11702	1.8
160.04553	1.9
165.05434	0.9
165.09114	37.8
165.12746	1.7
166.04987	1.9
166.08446	0.7
166.09566	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	165.0912
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03947	2.7
53.16371	0.6
55.01873	2.2
55.05513	7.7
57.03426	1.0
65.03940	2.3
67.05508	59.6
68.05833	1.4
68.79172	0.7
69.03436	3.1
69.07068	2.3
69.31200	3.6
71.05003	1.3
78.40351	0.6
79.01858	0.5
79.05495	14.1
81.03415	1.1
81.07063	16.1
81.26775	0.6
83.04980	1.8
91.05483	14.7
93.07054	8.7
95.04976	17.9
95.08609	9.9
101.00895	2.7
103.05473	2.4
104.06267	1.0
105.07034	5.1
107.04977	6.5
107.08607	5.5
109.06531	8.3
109.10161	100.0
110.10496	3.9
117.07021	3.0
119.01926	10.9
119.04937	1.4
119.08590	16.0
120.08118	12.1
120.08926	1.2
121.06513	1.0
121.10149	1.0
122.07304	2.4
123.04456	2.2
123.08059	1.8
123.11739	0.8
129.07071	0.7
137.02972	2.7
137.06015	2.0
137.09621	56.4
138.09952	2.3
142.03508	5.7
147.04434	3.9
147.08047	5.8
147.11739	1.5
160.04604	1.7
165.09129	32.6
165.12779	2.4
166.04980	1.0
166.09557	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.01646	1.3
53.00514	1.5
53.03945	6.2
55.01874	2.5
55.05514	100.0
56.05850	3.4
57.07070	5.0
59.04992	2.0
65.03943	1.6
67.05506	17.9
69.03441	5.3
69.07078	8.8
69.71444	2.4
69.71836	3.8
71.05001	3.5
77.03922	1.5
79.05499	15.7
80.05002	2.5
81.03414	2.9
81.07059	60.6
83.04984	3.1
83.08642	2.1
85.06518	1.4
87.45161	1.7
91.05470	15.5
92.05807	1.9
93.07048	18.5
95.04983	9.1
95.08611	42.5
96.04527	1.9
98.22688	2.1
101.00894	16.5
101.47010	1.4
103.05477	3.7
105.07030	17.1
107.04963	2.1
107.08603	12.8
109.06522	30.8
109.10164	16.3
110.06108	1.5
111.08107	5.4
116.05663	1.9
117.07018	2.9
119.01923	57.9
119.04929	3.2
119.08582	17.5
120.02036	5.2
120.08106	28.0
120.08904	2.9
121.06554	1.7
121.10155	4.4
122.07308	2.1
123.04426	2.8
123.08070	17.8
123.11723	6.4
124.02477	2.3
135.08044	2.1
137.02979	17.6
137.05975	3.6
137.09583	12.8
137.13258	15.8
138.05492	2.1
142.03511	38.2
142.96648	2.0
143.03625	2.3
147.04422	2.7
147.08061	4.8
147.11679	11.9
160.04561	9.5
165.01804	2.6
165.05394	4.4
165.06866	1.5
165.09111	19.2
165.12758	35.6
166.04990	2.7
166.08548	3.2
166.13206	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03940	3.0
55.01865	2.8
55.05516	7.8
57.03442	6.3
57.07076	6.7
59.04996	4.6
63.28675	0.9
63.31065	0.9
65.03926	3.5
65.41853	1.1
67.05505	42.2
68.05817	1.1
69.03426	10.0
69.07071	11.3
69.40772	6.4
70.85815	1.0
71.04983	2.3
75.86623	1.0
79.05067	1.7
79.05494	21.1
80.05000	2.0
81.03412	3.1
81.07057	42.5
82.07389	1.1
82.99841	1.1
83.04978	3.2
83.08607	2.0
85.06535	1.7
87.04478	1.9
91.05479	36.5
92.05800	1.5
93.07045	15.4
94.07319	1.2
95.04969	64.4
95.08607	39.5
96.05312	1.9
96.08923	1.8
97.06522	1.8
98.22619	1.9
101.00874	5.8
103.05452	4.5
105.06302	1.4
105.07030	27.1
105.07750	1.4
107.04966	6.5
107.08597	49.6
108.05771	2.1
108.08902	1.9
109.06520	36.6
109.10157	7.9
110.07271	3.5
116.89648	1.1
117.07043	5.8
119.01922	14.1
119.04955	6.9
119.06152	1.2
119.08584	54.7
120.02056	1.1
120.08115	17.8
120.08900	1.8
121.06492	2.3
121.10146	12.1
123.04426	2.7
123.08072	51.9
123.11706	28.7
124.08424	1.6
128.06154	1.0
129.07040	1.9
132.05699	4.0
132.09314	1.0
133.06474	1.2
133.07663	1.2
135.08101	1.0
136.08847	1.8
137.02948	4.1
137.05988	2.5
137.09615	9.3
137.13257	8.4
138.05493	2.1
141.09117	1.3
142.03506	8.2
143.03566	1.5
147.04422	11.3
147.08035	27.7
147.11691	9.0
150.10385	1.1
160.04581	3.6
165.01909	1.2
165.09087	9.5
165.12755	100.0
166.05017	3.3
166.08540	1.6
166.13095	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	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03945	1.8
55.01871	1.8
55.05511	4.9
57.03436	2.7
57.50452	0.7
64.55595	0.6
65.03944	0.9
67.05507	21.2
69.03425	2.6
69.07072	5.1
69.81845	2.2
71.04996	0.9
79.05495	24.5
80.05832	1.1
81.03430	0.8
81.07056	44.7
82.07408	1.5
82.99818	1.6
83.04977	5.3
83.08617	1.5
83.93074	0.9
85.06543	2.7
91.05485	26.8
92.05824	0.9
93.07043	25.1
93.07632	1.2
94.07367	1.1
95.04970	7.4
95.08608	15.0
97.06528	11.2
100.02491	1.4
101.00877	26.0
102.00972	1.5
103.05486	1.6
104.40344	0.7
105.07030	36.1
106.07357	1.5
107.05000	1.4
107.08599	16.8
109.06519	13.0
109.10143	3.6
117.07053	1.0
119.01923	100.0
119.08579	30.9
120.02015	7.3
120.08128	3.4
120.08915	1.1
121.10146	33.2
122.10448	1.7
123.08075	8.8
123.11705	5.0
124.02457	3.6
137.02959	34.9
137.05957	1.8
137.09564	3.7
137.13246	1.4
138.03064	3.1
142.03500	59.5
142.96690	1.1
143.03642	5.6
145.10129	0.9
147.08025	1.1
147.11688	48.6
148.12032	2.5
160.04559	20.7
161.04674	1.6
165.05106	2.4
165.09096	2.9
165.12755	50.9
166.05026	2.4
166.08640	3.7
166.13058	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	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.34262	0.3
53.03942	0.5
55.05516	4.3
65.03909	0.3
67.05505	2.0
69.03435	0.7
69.07074	2.7
69.55627	0.3
71.05006	0.5
73.10622	0.3
79.05497	2.4
81.03435	2.1
81.07063	5.8
82.99864	0.8
83.04971	0.7
83.08626	3.3
83.93053	0.4
85.06523	0.5
91.05495	2.1
93.07037	2.3
95.04973	100.0
95.08616	2.7
96.05305	2.3
96.08904	0.3
101.00883	10.7
102.00972	0.9
103.05485	0.3
105.07029	3.3
107.08606	8.5
109.06525	18.9
109.10149	0.6
110.06812	0.5
119.01924	37.2
119.08598	4.0
120.01990	2.8
120.08117	1.1
121.10155	2.0
123.04433	5.0
123.08085	1.5
123.11738	1.7
124.02439	1.7
137.02966	13.1
137.05963	1.0
137.09624	1.4
137.13240	1.2
138.03041	0.8
138.05502	0.4
142.03505	22.4
142.96706	0.7
143.03610	1.4
147.08025	0.5
147.11697	7.4
160.04553	8.1
161.04774	0.6
165.05235	1.2
165.09065	2.2
165.12762	47.6
166.05046	0.6
166.08649	0.6
166.13104	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.07518	0.7
51.98787	0.8
53.03933	1.1
55.01871	2.0
55.05509	4.9
55.06111	1.0
57.03427	3.4
59.89527	0.9
62.47108	0.8
65.03934	1.0
66.09720	0.7
66.10123	0.8
67.05508	18.8
69.03430	4.7
69.07086	4.0
69.08578	5.5
71.04999	1.6
74.41803	0.7
79.05495	17.1
81.03445	1.2
81.07063	41.9
82.99852	1.8
83.04990	6.0
85.06553	1.1
91.05487	24.4
92.05805	1.1
93.06471	1.6
93.07050	24.5
94.04127	1.0
94.07388	1.0
95.04984	6.5
95.06075	1.1
95.08609	13.0
97.06544	4.2
98.23463	1.7
101.00883	27.9
102.00970	2.4
102.83118	1.0
103.05447	1.9
105.03358	1.1
105.07035	43.6
106.07391	1.6
107.04931	0.9
107.08600	14.7
109.06527	9.5
109.10143	4.0
117.07053	1.1
119.01926	100.0
119.04951	1.9
119.08585	29.6
119.09446	1.4
120.01995	6.6
120.08099	3.1
120.08894	1.1
121.02380	0.9
121.10149	32.3
122.07317	1.7
123.04439	3.2
123.08086	6.1
123.11727	7.6
124.02439	4.1
133.02837	3.4
137.02965	31.6
137.05959	3.4
137.09636	6.6
138.03017	2.1
142.03505	57.5
142.96710	1.8
143.03593	4.7
145.10117	1.0
147.04410	2.0
147.08047	1.4
147.11694	46.4
148.03905	1.0
148.12050	1.9
160.04555	16.8
161.04767	2.3
165.01781	1.1
165.05327	2.6
165.06677	0.8
165.07799	1.3
165.09111	6.2
165.12769	39.4
166.05037	3.0
166.08620	3.5
166.13127	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	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03954	6.0
55.05523	3.8
57.07072	2.8
59.04989	2.6
60.90775	0.8
65.03952	1.1
67.05510	13.2
69.03434	25.3
69.07072	9.6
71.04991	1.7
71.34364	1.0
79.01866	0.9
79.05485	5.7
81.03421	23.6
81.06586	1.3
81.07062	20.3
82.99828	1.1
83.04978	2.9
83.08594	1.4
91.05492	4.8
93.07037	3.2
95.04978	12.8
95.08611	20.2
97.06532	0.8
101.00215	0.7
101.00882	15.5
102.00983	1.4
103.80511	0.9
105.07034	7.9
107.08604	9.0
108.05735	1.0
109.06525	18.7
109.10150	3.1
110.07290	3.0
116.58060	0.7
116.95266	0.7
117.06988	1.3
119.01926	48.3
119.08586	10.5
120.02013	3.2
120.08080	1.4
121.10149	6.1
122.07278	1.9
123.08079	20.2
123.11717	13.1
124.02449	2.2
133.02837	1.4
135.11543	1.0
137.02959	13.4
137.05988	1.3
137.09628	6.0
137.13254	3.7
138.03041	0.9
139.24837	0.8
142.03508	33.4
143.03606	2.9
147.11693	4.0
155.19193	0.8
160.04597	8.9
161.04758	0.9
165.05223	1.2
165.09132	5.0
165.12764	100.0
166.04996	1.0
166.13107	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	166.0865
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02401	0.1
53.03927	0.2
70.56139	0.3
73.06776	0.1
77.03939	0.2
79.05502	1.4
87.91754	0.2
91.05481	1.0
93.07056	2.7
95.04980	0.3
102.00955	0.3
103.00633	0.2
103.05474	12.3
104.05807	0.6
107.04956	2.2
109.50964	0.1
111.06655	0.2
119.01956	0.2
119.07393	0.1
120.02056	0.7
120.08112	100.0
121.01669	0.4
121.07668	0.3
121.08457	4.0
131.04941	2.4
138.03081	0.2
139.36191	0.1
143.03650	0.6
144.03235	0.2
149.05995	0.5
166.05013	0.2
166.08609	1.2
166.12343	0.2
167.07022	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	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03943	0.3
55.05514	0.3
56.05053	0.1
56.96553	0.1
65.03950	0.2
67.05490	0.4
69.03429	0.2
69.07066	0.3
71.04997	0.1
74.02444	0.3
75.43089	0.1
77.03917	0.2
78.04706	0.2
79.05492	2.3
80.05008	0.3
80.05839	0.2
81.07068	0.6
83.04998	0.2
89.10635	0.1
91.05485	1.4
92.05783	0.2
93.03375	0.2
93.07050	4.0
95.04980	0.5
95.08581	0.3
96.09583	0.1
97.06522	0.1
98.22588	0.4
103.05475	11.5
104.05801	0.5
105.04572	0.1
105.07029	0.4
107.04959	2.3
107.08591	1.0
109.06538	0.2
111.04444	0.3
118.06551	0.2
119.01924	0.2
119.07361	0.1
120.02044	0.3
120.08112	100.0
121.01627	0.3
121.06543	0.9
121.08447	4.1
121.10136	1.3
123.04459	0.4
123.08083	0.2
123.11685	0.2
125.05988	0.2
125.09679	0.1
131.04941	2.3
131.08595	0.1
136.07541	0.1
138.03059	0.2
138.05513	0.3
139.11182	0.1
142.96748	0.1
143.03621	0.3
148.04826	0.2
148.07536	0.2
149.06041	0.6
149.07048	0.2
149.09628	0.5
151.03934	0.1
166.04890	0.6
166.08620	1.8
166.12250	0.9
167.03391	0.2
167.07022	1.3
167.08211	0.2
167.10587	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	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03945	0.3
53.67191	0.3
54.73267	0.2
69.24422	0.9
69.24844	0.9
78.04731	0.3
79.05502	1.7
80.04998	0.3
80.73228	0.3
81.07072	0.4
84.96046	0.4
85.94609	0.3
89.20557	0.3
91.05477	1.2
93.07052	4.1
95.04949	0.3
95.06131	0.3
95.08598	0.3
96.04478	0.4
101.00899	0.4
102.00989	1.1
103.00641	0.7
103.05470	11.9
104.05788	0.3
105.04502	0.4
105.06991	0.3
107.04963	2.5
107.08575	0.6
108.04538	0.3
109.06498	0.3
110.06039	0.5
119.01917	1.3
120.02017	4.4
120.08106	100.0
121.01675	3.2
121.06497	1.0
121.07648	0.5
121.08434	3.9
121.10126	0.6
123.04421	0.7
125.07021	0.3
131.04918	2.5
137.02943	0.5
138.03029	1.7
138.05481	0.6
138.09093	0.4
139.02698	1.3
142.03464	0.3
142.96681	0.7
143.03632	3.5
144.03247	1.5
149.02312	0.3
149.05983	0.6
149.09589	0.5
152.04686	0.3
161.04675	0.8
162.04286	0.4
166.05002	1.4
166.08601	3.1
166.15823	0.3
167.07024	1.7
167.08162	0.5
167.10670	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	167.0704
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
51.02381	0.4
53.03955	1.7
54.10999	0.2
54.48964	0.2
55.01875	0.7
55.05509	0.9
59.05002	0.2
65.03941	1.1
67.05499	0.7
67.25402	0.2
69.03438	0.4
69.07061	1.0
71.01363	0.3
71.05003	0.6
71.28833	0.3
71.76333	0.2
77.03931	0.5
78.04722	1.3
79.05494	3.3
80.05830	0.3
81.03415	0.6
81.07060	1.2
83.04985	0.7
91.05480	4.8
91.06017	0.4
92.05793	0.4
93.03413	0.3
93.07047	7.6
94.04198	1.6
94.06593	0.3
94.07425	0.2
95.04991	1.9
95.08598	1.0
96.02106	0.2
97.06530	0.4
99.04450	0.4
102.65993	0.2
103.05502	0.6
105.04514	0.8
105.07034	1.5
106.04190	0.5
107.04972	0.9
107.06126	0.2
107.08594	4.3
108.08899	0.2
109.06517	8.0
111.04450	0.5
111.08086	0.4
119.06046	0.3
119.08513	0.2
120.08076	0.3
120.22770	0.2
121.01683	0.5
121.06509	100.0
121.10131	5.6
122.06047	0.4
122.06840	4.3
123.04456	0.4
123.06783	0.4
123.08090	0.4
123.11721	0.4
124.05244	0.4
125.05980	0.3
125.06979	0.2
125.09671	0.2
126.05591	0.2
131.08577	0.5
139.02771	0.3
139.03859	0.4
139.07561	0.3
139.11197	0.3
140.07089	0.3
144.03294	0.4
149.05981	27.7
149.09601	1.7
150.05312	0.2
150.06433	1.1
151.03873	0.8
152.04697	1.5
157.04964	1.4
167.03386	2.7
167.04607	0.5
167.07028	6.2
167.08218	0.4
167.10660	0.9
168.06474	1.4
178.19531	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02380	0.8
53.03955	3.4
55.01874	2.1
55.05515	1.2
57.03444	0.7
65.03943	4.0
66.04727	1.7
67.01908	0.4
67.05510	1.8
68.99783	0.7
69.03419	1.0
69.07055	0.7
71.04980	1.3
71.30669	0.5
77.03900	0.9
78.04713	15.2
79.05496	21.2
80.05817	0.8
81.03423	1.3
81.07063	3.5
83.04971	1.6
85.02894	0.4
91.05478	4.5
93.03413	1.2
93.06486	0.5
93.07053	6.2
94.04181	1.6
94.06526	0.5
95.04974	5.7
95.08612	0.8
96.05748	1.0
97.02877	0.5
97.06532	1.3
103.00651	1.1
103.05472	0.8
105.03372	1.3
105.04513	1.3
105.07006	1.9
106.04173	6.1
107.04960	18.6
107.08597	6.3
108.04498	0.7
108.05250	0.5
109.02888	1.9
109.06532	2.1
110.03696	0.4
111.04438	2.7
111.08042	0.7
121.01682	4.1
121.02842	2.1
121.06506	6.1
121.07436	0.6
121.07597	0.4
121.10148	3.3
122.03671	2.2
122.06023	0.4
123.04432	30.2
123.08066	0.4
124.05247	8.2
125.06068	2.4
125.06921	0.4
125.09602	0.7
131.08542	0.8
134.03596	1.5
135.04420	7.6
137.02316	0.7
137.05994	1.9
138.03082	0.6
139.02745	1.3
139.03905	5.1
139.07526	1.5
139.08464	0.4
144.03261	1.8
149.02362	1.8
149.05978	2.5
149.07138	0.9
149.09616	2.4
151.03902	5.4
152.04683	6.7
157.04976	1.0
162.04289	0.8
167.03401	7.3
167.07039	100.0
168.04140	0.8
168.07523	3.9
168.10141	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	167.0705
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02374	0.4
53.03952	2.7
55.01680	0.2
55.01872	2.0
55.05512	0.6
65.03944	0.5
67.05514	1.0
68.99773	0.7
69.03442	0.9
69.07065	0.7
69.92857	0.4
71.04987	0.5
75.84640	0.2
77.03930	0.9
78.04701	1.7
79.05498	14.9
80.05824	0.4
81.03397	0.7
81.07061	3.5
82.07374	0.2
83.04976	0.8
84.79727	0.2
85.06506	0.2
91.05484	13.7
92.05795	0.3
93.07048	20.3
94.07378	0.6
95.04976	4.1
95.08595	0.7
97.06545	1.4
103.00688	0.2
103.05476	1.9
105.04531	1.7
105.07012	0.7
106.04173	0.8
107.01296	0.6
107.04965	1.9
107.08598	2.1
109.06525	1.2
111.04462	0.5
111.08062	0.4
121.01654	0.5
121.02868	0.6
121.06513	13.1
121.08419	0.6
121.10148	1.8
122.03662	0.3
122.06061	0.3
122.06829	0.7
123.04443	4.4
123.08064	1.1
124.05270	1.0
125.05968	0.4
125.09586	0.3
131.08562	0.3
135.04405	0.2
139.02734	0.3
139.07590	1.0
139.11124	0.2
140.07016	0.3
144.03232	0.3
149.05090	0.2
149.05998	4.6
149.07094	0.2
149.09586	1.1
151.03909	0.6
152.04671	0.7
158.78519	0.2
167.07045	100.0
168.07452	3.9
169.07425	0.2
185.50005	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	167.0705
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02372	0.3
51.78248	0.2
53.03948	2.8
54.04269	0.2
55.01878	2.4
55.05527	1.1
57.03437	0.4
64.24994	0.2
65.03944	1.3
67.05504	1.7
68.99779	0.6
69.03433	1.3
69.07076	1.4
69.94746	0.5
71.04997	0.5
73.90273	0.2
77.03919	0.6
78.04710	0.7
79.05496	17.4
80.05814	0.4
81.03408	0.7
81.07060	4.5
82.07373	0.2
83.04984	1.7
84.04480	0.2
84.06886	0.2
85.01146	0.5
91.05485	14.9
92.05798	0.7
93.03403	0.6
93.07047	22.8
94.06569	0.4
94.07372	0.9
95.04971	4.6
95.08614	1.0
97.02894	0.2
97.06534	1.5
98.06044	0.3
98.09701	0.4
103.05468	1.9
104.05769	0.3
105.04530	1.5
105.07024	1.3
106.04143	0.4
107.01321	0.5
107.04954	2.2
107.06050	0.2
107.07945	0.3
107.08606	3.2
109.06520	1.3
111.04456	1.0
111.08090	0.4
120.08087	0.4
121.01668	0.7
121.02876	0.5
121.06512	14.4
121.08410	2.2
121.10137	3.9
122.06044	0.3
122.06828	0.7
123.04441	2.0
123.08070	1.6
125.00550	0.4
125.02370	0.2
125.05998	0.5
125.09641	0.6
131.08583	0.4
133.06436	0.2
137.05978	0.3
139.03908	2.0
139.07594	0.9
140.07066	0.4
144.03241	0.5
149.02344	0.5
149.05972	4.6
149.07051	0.4
149.09628	1.3
150.05444	0.2
151.03952	0.4
157.05014	0.4
167.03355	1.6
167.05367	6.8
167.07036	100.0
167.16235	0.7
168.07494	4.5
168.17482	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	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02382	0.7
52.03156	0.5
53.03939	1.5
55.05492	0.4
57.24735	0.3
58.38910	0.3
63.54271	0.4
65.03939	0.8
66.04720	1.0
67.05499	1.1
67.92540	0.3
69.03423	0.5
69.07076	0.4
70.53911	0.7
77.03902	0.5
78.04709	18.2
79.05048	0.3
79.05486	5.9
81.03451	0.8
81.07040	1.1
83.04952	0.5
91.05474	1.0
93.03409	1.1
93.07040	1.1
94.02931	1.3
94.04169	0.7
94.06556	0.7
95.04974	2.7
95.08610	0.7
96.05745	1.5
97.06527	0.7
97.40616	0.3
99.04477	0.3
103.00616	0.8
104.04966	0.3
104.05794	0.3
105.03393	1.2
105.04491	0.8
105.06989	0.3
106.04172	6.7
107.04970	3.4
107.06080	0.4
107.08567	1.1
108.04483	0.6
108.31718	0.4
109.02853	2.0
109.06478	0.6
110.03701	0.4
111.04411	0.7
111.08070	0.5
120.02110	0.8
121.01679	1.6
121.02814	0.5
121.06484	1.3
121.07571	0.9
121.08404	0.4
121.10148	0.7
122.03666	1.8
122.06013	1.1
123.04424	30.8
123.08058	0.5
124.05241	7.6
125.05876	0.4
126.05553	0.4
134.03616	1.1
135.04405	1.0
137.02310	0.7
137.05975	1.2
139.07574	0.6
139.12337	0.4
140.03435	0.4
140.07057	0.4
144.03236	0.8
149.02278	1.0
149.06004	0.7
149.07098	0.7
150.05478	1.1
151.03900	6.6
152.04683	5.7
167.03413	2.4
167.07031	100.0
168.04199	1.2
168.07561	4.0
168.17477	1.7
182.08636	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03950	4.3
55.01874	2.0
55.05514	7.5
57.03431	1.3
57.07059	1.3
59.05000	2.9
65.03933	1.1
67.05508	8.6
69.03424	1.8
69.07072	21.5
69.75773	3.9
71.04990	2.0
73.06580	0.8
76.83408	0.8
77.03916	1.4
78.04713	3.0
79.05498	24.2
81.07064	21.4
83.04969	2.3
83.08630	1.6
91.05489	15.3
93.07047	95.2
94.07368	2.8
95.04970	5.0
95.08607	13.2
97.06534	5.7
97.10168	0.9
103.00596	1.2
103.05476	2.4
105.04511	1.9
105.06382	1.3
105.07033	17.7
106.04131	1.5
106.07828	1.0
107.05009	1.8
107.06051	0.9
107.08599	9.3
109.06527	8.4
110.92163	0.8
111.04449	1.7
111.08079	6.2
111.11739	2.9
119.06104	1.0
119.08576	3.4
121.01674	2.1
121.06498	3.0
121.10146	100.0
122.10492	3.8
123.04426	5.1
123.08068	4.1
123.11735	3.2
125.06001	2.3
131.08557	3.3
133.07596	2.1
136.54901	0.8
139.11203	6.0
140.03398	1.2
140.07092	1.0
144.03241	1.8
149.07123	1.1
149.09624	21.5
151.03876	1.0
152.04657	1.3
167.03387	1.9
167.07039	13.3
167.08302	1.5
167.10690	17.3
167.14343	0.8
167.99376	1.4
168.06549	2.2
174.42352	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	3.6
53.79040	0.4
55.01872	1.2
55.05272	0.6
55.05515	5.7
57.03448	2.2
57.07076	1.4
59.04996	1.5
60.09119	0.4
60.25593	0.4
65.03938	1.3
67.05510	6.5
69.03432	1.6
69.07066	3.7
70.24493	0.9
70.24810	0.5
71.05000	4.3
73.06556	1.4
75.04478	4.0
77.03909	1.1
78.04721	2.3
79.05495	17.4
80.05856	0.5
81.03420	1.0
81.07059	18.2
83.04971	3.2
83.08607	0.9
85.06518	0.6
87.04470	1.5
91.05482	16.6
93.07047	100.0
94.07373	2.9
95.04969	4.0
95.08609	15.1
97.06532	4.9
103.05468	1.6
105.04523	1.2
105.07037	15.6
106.04171	1.1
106.07869	1.0
107.04962	2.2
107.06062	0.4
107.08601	17.5
108.08917	0.6
109.06527	2.8
109.10191	2.2
111.04440	1.0
111.08086	25.9
112.08456	0.5
119.06070	0.6
119.08588	2.8
121.01680	0.9
121.02926	0.7
121.06514	1.7
121.10148	84.3
122.06036	0.5
122.10491	3.7
123.04430	3.1
123.08091	3.7
123.11694	3.1
124.05189	1.6
125.05991	2.8
125.09596	1.3
131.08578	3.8
132.25475	0.5
133.07632	1.7
135.04445	0.6
139.11189	6.3
144.03239	0.6
149.02330	1.1
149.09627	8.1
149.13300	2.6
151.03911	0.8
152.04568	0.4
162.04338	0.5
167.07033	12.0
167.08249	1.1
167.10670	9.6
167.14322	1.6
168.06610	1.5
168.11014	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	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	4.7
53.55844	0.9
55.01864	2.0
55.05511	7.1
57.03425	1.8
57.07070	1.4
59.04990	1.9
65.03937	3.6
67.05510	10.4
68.02657	1.1
69.03426	2.8
69.07070	7.2
71.05019	5.3
71.09911	2.2
73.06566	2.0
75.04493	1.9
75.08720	0.9
76.42771	1.0
77.03941	1.2
78.04713	12.4
78.35658	0.9
79.05493	24.1
81.03419	1.5
81.07064	24.7
83.04978	3.5
84.96031	1.7
91.05486	16.3
93.07050	83.9
94.07342	1.6
95.04980	7.2
95.08612	23.6
96.05750	1.3
97.02872	1.7
97.06550	5.1
103.00645	2.9
105.04507	1.9
105.07034	19.9
106.04173	3.9
107.04955	4.4
107.06052	1.3
107.08595	18.0
108.04551	1.1
109.02834	1.5
109.06514	4.2
109.10147	3.9
111.04454	4.2
111.08089	20.3
119.06085	1.5
119.08590	3.3
121.01669	17.7
121.02445	1.8
121.06548	2.3
121.10147	100.0
122.03599	1.1
122.06013	2.0
122.10482	3.8
123.04447	21.9
123.08083	3.7
123.11704	9.8
124.05230	7.9
125.01550	2.7
125.06004	4.5
125.09628	3.2
126.05505	1.9
131.08565	7.2
133.07600	2.3
139.02739	5.2
139.03714	1.4
139.11192	11.4
140.07071	1.6
141.71118	1.1
144.03223	8.1
149.02336	2.8
149.06035	1.7
149.07106	1.3
149.09630	20.6
149.13240	2.9
150.05507	1.4
151.03914	3.3
152.04727	5.1
157.04889	1.2
162.04312	3.0
167.03391	4.8
167.07054	75.6
167.08318	4.4
167.10674	19.2
167.14299	2.4
167.15601	1.4
168.06590	5.0
180.99747	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	167.1069
Annotation	(+)-Teucriumlactone
Peak:m/z	Relative Intensity
52.35306	1.2
53.03939	3.4
55.01870	4.1
55.05512	8.0
56.93283	0.9
57.03423	2.3
57.07070	1.4
59.05005	7.0
65.03928	4.3
67.05507	17.3
69.03429	4.5
69.07075	9.7
70.15887	2.7
70.16236	1.3
71.01350	1.9
71.05000	16.4
73.06567	1.3
77.03897	1.0
78.04711	5.0
79.05495	32.4
81.03416	4.8
81.07067	11.6
83.04985	17.2
85.06554	2.8
89.05994	1.5
91.05466	10.1
93.03380	1.2
93.07047	35.6
94.07401	1.9
95.04364	2.0
95.04973	39.7
95.08614	32.2
96.02076	1.0
96.08949	2.0
97.06536	23.5
97.10158	2.1
99.25246	1.1
103.00623	1.2
103.05460	1.2
105.03471	1.3
105.04498	1.9
105.07041	15.4
106.04166	1.8
107.04961	5.2
107.08601	33.1
108.08921	1.2
109.02890	3.2
109.06513	9.6
109.10180	4.2
111.04452	5.3
111.08084	3.1
115.63369	1.1
119.06068	1.5
119.08607	2.3
121.01675	7.0
121.06499	3.5
121.07616	2.0
121.10151	38.7
121.11028	2.3
123.04442	10.4
123.08072	42.9
123.11642	1.4
124.05218	69.1
125.06039	16.2
125.09641	9.1
126.05557	1.3
131.08591	8.0
139.02692	3.1
139.07594	1.9
139.11171	4.0
140.07043	1.3
144.03278	3.2
149.02330	2.0
149.07097	2.3
149.09615	12.3
149.13293	1.8
150.05493	1.9
151.03952	3.0
152.04616	1.2
153.06932	1.1
157.05005	2.7
162.04424	1.2
167.03395	7.1
167.04678	1.2
167.07040	30.3
167.08269	2.5
167.10687	100.0
168.06448	5.0
168.11023	3.9
175.20445	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	4.0
55.01860	2.5
55.05516	13.7
57.07072	1.9
59.04987	2.7
65.03936	1.3
65.04243	0.8
67.05512	7.3
69.03438	3.9
69.07070	43.0
70.06567	1.1
71.04980	1.2
78.04726	4.0
79.05074	1.6
79.05500	22.0
80.04979	0.8
80.05827	1.7
81.03419	1.2
81.07064	12.7
82.07391	0.9
83.04972	3.1
83.08613	3.7
84.96031	3.3
86.06086	0.9
90.23131	0.7
91.05482	17.5
93.07047	81.3
94.06533	1.3
94.07364	3.6
95.04988	5.1
95.08608	13.5
97.06537	7.3
97.10187	1.4
98.06048	1.6
98.06725	0.8
98.23441	1.9
98.98424	0.8
100.11256	1.5
103.00631	3.3
103.05461	2.7
104.05786	0.9
104.47809	0.7
105.04518	2.1
105.07029	21.3
106.04157	1.7
106.07846	1.0
107.04949	2.8
107.08598	7.8
108.04454	1.3
109.06498	1.9
109.10171	1.8
111.04426	0.9
111.08064	1.5
111.11726	7.3
119.06134	1.1
119.08608	4.3
120.01985	1.4
121.01670	20.7
121.06517	1.5
121.07646	2.4
121.10147	100.0
122.06052	1.2
122.10467	5.1
123.04429	6.3
123.06792	1.4
123.08082	5.9
124.05204	2.8
125.07088	1.2
125.09584	1.7
126.05525	1.1
131.08591	1.1
133.07605	3.0
139.02686	8.5
139.11179	3.2
140.07008	0.8
144.03223	11.2
149.02339	1.0
149.05977	1.0
149.07106	2.1
149.09633	15.4
150.05531	2.1
151.03842	1.3
152.04704	1.2
162.04294	4.2
167.03397	1.1
167.07011	22.4
167.08252	3.3
167.10669	28.1
167.14366	0.8
168.06502	5.7
168.11058	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	167.1068
Annotation	Piquerol B
Peak:m/z	Relative Intensity
52.78601	0.6
52.98672	0.6
53.03950	2.3
53.82719	0.5
55.01632	0.9
55.01876	11.1
55.05514	3.9
58.66140	0.5
59.92623	0.5
64.05097	0.6
65.03934	1.5
67.05511	10.8
67.12912	0.6
69.03423	1.0
69.07059	1.0
70.49885	1.1
71.05005	1.4
77.03934	0.7
78.04729	0.7
79.05498	59.7
80.05827	1.8
81.03419	1.1
81.07067	3.4
83.05003	3.1
86.05885	0.6
91.05489	26.8
92.05797	0.7
93.07049	42.2
94.07383	1.7
95.04976	6.2
95.08601	2.9
97.06535	5.4
103.05453	1.3
105.04564	0.9
105.07037	55.3
106.07378	2.2
107.04958	4.2
107.08601	100.0
108.08942	3.3
109.06522	3.8
109.10150	1.2
116.06253	2.5
119.06074	1.2
119.08604	4.8
121.06516	11.3
121.10147	28.7
122.10496	0.9
123.08092	2.5
123.11723	0.6
124.05217	0.6
125.06040	0.6
125.09596	0.8
127.18668	0.5
129.07027	2.3
131.08575	42.0
132.08929	2.6
133.06534	0.9
133.07610	0.8
134.07295	1.2
137.09619	16.6
137.10684	0.9
149.09627	83.7
150.09959	4.1
167.07117	2.6
167.10693	28.1
168.11037	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.74343	0.5
53.03941	3.2
55.01878	4.0
55.05512	80.8
56.05854	1.6
57.03440	3.2
57.07086	3.1
59.05003	8.0
65.03940	2.1
67.05508	15.0
69.03430	20.5
69.07069	8.9
71.05000	3.0
71.29054	0.6
73.06603	0.7
75.04493	0.9
79.05493	10.4
79.73261	0.5
81.03413	0.8
81.07056	16.5
83.04980	100.0
83.08619	28.5
84.05321	2.4
84.08968	0.8
85.06541	6.6
91.05488	6.7
93.03390	0.7
93.07043	23.8
94.07374	1.2
95.04965	2.2
95.08601	8.9
97.06532	4.3
97.10175	7.3
98.10563	0.6
99.08119	2.0
104.05790	0.6
105.07036	6.6
107.04979	0.7
107.07873	0.9
107.08595	16.2
109.06528	1.2
109.09444	1.1
109.10162	14.9
111.04446	1.0
111.08080	27.7
112.07596	0.6
112.08891	6.7
113.09636	2.4
119.08598	0.7
121.01640	1.2
121.06509	1.1
121.08441	1.6
121.10140	26.6
122.05991	0.6
122.10489	0.6
123.04417	1.3
123.06881	0.5
123.08072	1.5
123.11709	8.1
125.06036	0.9
125.09630	11.8
131.06865	0.8
131.08522	1.1
139.03856	2.8
139.11160	1.6
140.07169	0.5
144.55368	0.5
149.08023	0.6
149.09608	4.2
149.13272	4.3
157.04968	1.7
157.68242	0.5
164.59927	0.5
167.03362	3.4
167.04529	0.6
167.07031	3.4
167.08244	0.8
167.10666	2.8
167.14310	30.4
168.06555	2.1
168.10225	0.7
168.14635	1.4
171.77013	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01867	3.2
55.05515	33.5
55.53404	2.3
57.03434	2.5
57.07081	11.0
59.04998	2.4
65.03954	2.1
67.05511	34.3
69.03436	5.8
69.07069	73.9
70.06609	6.6
71.04993	34.8
71.24407	2.6
73.06556	16.0
75.04482	1.9
75.35450	1.8
77.27550	1.7
78.04743	3.0
79.05489	21.2
81.07059	34.9
83.04984	3.0
83.08624	9.0
84.08129	3.0
84.96042	2.9
85.06508	1.9
86.09708	33.7
87.08120	3.7
91.05470	11.6
93.07046	85.0
93.75529	1.9
94.07356	3.1
95.04978	5.3
95.08608	100.0
96.08933	4.4
97.06540	9.0
100.07619	10.8
101.19833	1.8
103.00664	9.1
105.07042	12.9
107.08595	41.9
108.04499	2.7
109.10149	18.1
111.08074	13.2
112.07603	17.5
121.01672	24.2
121.07668	5.6
121.08466	3.4
121.10156	54.8
121.11028	3.4
122.06110	3.6
123.04432	6.3
123.06792	2.3
123.08115	2.6
123.11726	10.0
124.05235	2.6
125.09689	3.2
139.02702	5.4
139.11188	3.2
144.03218	12.2
149.07085	3.4
149.09625	3.8
149.13239	21.0
150.05479	2.6
162.04289	3.6
167.03416	4.0
167.07060	20.4
167.08252	5.1
167.10698	4.2
167.14314	10.0
168.06561	6.6
168.13852	29.0
176.09521	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03948	3.4
55.05516	24.0
57.07074	4.3
59.05005	4.5
65.03938	3.9
67.05507	34.9
69.03426	5.8
69.07072	22.8
69.64492	6.7
71.04996	36.4
73.06554	19.3
78.04695	3.6
79.05495	26.4
81.07055	43.7
83.04978	5.0
83.08612	9.7
84.96040	2.5
85.06529	4.9
91.05486	16.1
93.07045	67.2
94.07379	3.1
95.05000	4.3
95.08614	100.0
96.08926	2.6
97.06548	10.4
98.98486	2.2
103.00665	4.6
103.36709	2.0
105.07021	10.5
106.04176	2.4
107.04973	2.9
107.08598	60.7
108.08853	2.1
109.06505	3.0
109.10161	28.7
111.08095	10.6
119.08620	1.8
121.01690	17.8
121.06513	2.0
121.07605	2.0
121.10150	37.8
122.06001	2.8
122.10435	4.0
123.04417	7.3
123.06779	1.8
123.08077	3.1
123.11705	9.6
124.05180	2.3
125.09618	5.2
131.08546	2.0
139.02730	4.9
144.03281	8.4
149.02377	3.1
149.09691	4.6
149.13252	25.6
150.05476	2.7
151.03976	3.4
162.04269	2.6
167.03397	3.1
167.07013	22.5
167.08200	3.2
167.10620	4.0
167.14305	11.2
168.06575	6.5
168.08003	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00295	2.2
53.03944	2.7
55.05520	21.2
57.03426	2.2
57.07069	5.8
59.04996	5.2
63.06770	1.5
65.03930	3.2
67.05510	33.3
69.03418	4.4
69.07073	20.3
69.30332	1.5
70.77618	3.2
71.05000	38.3
73.06555	18.9
79.05495	17.7
81.07063	37.2
82.07419	1.7
83.04961	1.7
83.08626	8.7
84.96014	1.9
85.06550	3.6
85.66802	1.3
87.08141	1.8
91.05470	8.1
93.07051	43.8
94.07383	1.7
95.04946	1.9
95.08613	100.0
96.08968	3.9
97.06532	6.5
103.00616	2.6
105.07004	5.8
107.08598	44.7
108.08955	1.7
109.06535	3.3
109.10165	25.5
111.08083	5.9
113.94402	1.3
121.01674	9.0
121.10146	27.5
123.04417	2.1
123.11733	7.1
125.09627	2.9
139.02747	1.8
144.03249	3.3
149.09618	2.9
149.13257	25.4
167.07051	8.8
167.10524	1.7
167.14307	11.5
168.06656	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.83152	1.7
53.03942	4.9
55.01880	2.2
55.05516	31.5
55.90653	1.5
57.03441	3.0
57.07069	6.2
59.04996	2.6
65.03938	3.1
67.05508	33.9
69.03433	4.9
69.07070	79.6
70.06600	8.5
71.04996	40.1
71.10987	1.9
71.84251	1.6
73.06565	17.0
73.22773	1.7
78.04695	3.7
79.05497	24.3
81.07057	40.1
83.04984	6.3
83.08616	9.4
84.08147	4.0
84.96049	4.8
85.06548	3.4
86.09706	26.3
87.04500	2.0
87.08095	2.1
91.05473	13.9
93.07047	70.9
93.07633	3.6
94.06572	3.6
94.07386	4.4
95.04998	3.7
95.08612	100.0
96.08945	2.1
97.06544	8.6
100.07637	11.3
103.00655	4.6
104.51748	1.8
105.07043	8.8
106.04185	2.7
107.08604	47.1
109.10164	18.9
111.08080	12.9
112.07600	22.2
121.01649	18.0
121.02358	2.2
121.07639	3.3
121.08430	3.7
121.10152	48.6
122.06015	4.7
123.04441	6.7
123.06881	2.4
123.08060	1.8
123.11712	8.8
125.07034	2.1
125.09620	4.7
135.42091	2.0
135.56995	2.0
139.02689	6.4
139.03766	2.1
139.11142	2.8
144.03290	13.2
149.02383	2.2
149.07104	4.0
149.09627	4.2
149.13274	22.1
150.05524	3.5
152.04739	2.4
162.04370	4.3
167.07036	26.2
167.08278	4.4
167.10608	2.1
167.14305	9.2
168.06531	15.4
168.13832	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	168.1748
Annotation	Cermizine C
Peak:m/z	Relative Intensity
53.03941	0.3
55.01864	0.2
55.05510	3.0
56.05035	0.6
58.06599	0.5
65.03943	20.1
67.05507	2.9
69.03419	0.3
69.07072	1.4
70.06592	0.3
70.07394	0.2
70.42895	0.3
70.43227	0.2
71.04976	0.5
79.05494	0.7
81.03413	0.5
81.07061	4.5
81.66390	0.2
83.04965	0.6
83.08611	0.4
91.05441	0.3
93.03408	12.8
93.07024	0.4
94.06516	0.2
95.04961	0.8
95.08614	4.5
97.06546	0.4
98.09693	6.7
100.11285	0.2
107.04902	0.2
109.02872	0.6
109.06557	0.3
109.10171	2.0
110.03667	3.5
111.04445	23.5
111.08098	0.6
122.06046	0.4
123.04421	0.3
123.06863	0.3
123.08051	0.3
125.05992	7.6
126.12794	0.3
129.80069	0.2
134.06039	0.3
140.07071	0.4
141.05476	0.5
150.05508	0.4
151.03909	5.3
151.05006	0.4
151.07518	0.2
151.11172	0.6
163.97736	0.3
168.03734	0.5
168.06555	1.6
168.17477	100.0
169.04982	1.7
169.09854	0.2
169.12225	0.2
169.17830	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	169.0496
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03946	0.8
55.01882	1.0
55.05511	1.7
62.18131	0.4
65.03944	100.0
66.04273	2.2
67.05514	1.6
67.51646	0.3
71.05006	0.4
71.19244	0.4
79.05499	0.8
81.03416	1.6
81.07061	2.2
83.04970	0.7
93.03410	80.6
94.03735	2.7
95.04950	2.1
97.06548	0.8
98.09692	0.6
98.87001	0.4
98.93366	0.4
103.73563	0.4
104.46134	0.4
107.04975	0.8
108.02117	1.2
109.02905	2.0
109.10125	0.5
110.03669	15.8
111.04446	92.4
112.04765	2.4
123.04409	1.3
124.05240	0.6
125.05997	34.7
126.06355	1.4
134.06015	1.2
136.01532	0.9
141.05479	1.1
151.03920	24.6
151.05028	2.6
152.04260	1.2
154.02582	0.6
164.36118	0.4
169.04973	7.4
169.17838	5.8
174.54417	0.4
176.70685	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	169.1224
Annotation	(Z)-2,4-Ochtodiene-1,6-diol
Peak:m/z	Relative Intensity
53.03936	6.5
55.01870	4.9
55.05514	100.0
56.05865	1.9
56.96569	6.8
57.07084	2.6
58.90868	1.8
59.04998	2.1
65.03941	40.9
67.05508	13.2
67.93567	2.1
68.05055	1.8
69.03429	7.6
69.07064	8.3
71.05000	33.8
79.05499	18.6
81.03422	6.7
81.07060	58.4
82.06585	2.9
82.07389	2.1
83.04981	24.8
84.04497	2.1
85.02909	4.2
85.06529	3.8
85.94598	4.5
91.05483	6.3
92.04998	4.1
93.03405	19.6
93.05764	4.1
93.07034	10.6
95.04968	15.6
95.08585	15.9
96.08153	3.1
97.02902	3.1
97.06550	12.8
99.04441	9.2
99.10018	2.5
103.95647	2.1
105.07024	6.9
107.08604	9.9
108.04487	2.4
109.02876	13.3
109.06520	14.6
109.10169	13.4
110.03664	7.6
110.06050	5.9
111.00795	6.2
111.04442	54.7
111.08083	51.3
112.08418	3.0
113.02354	4.6
117.93603	2.6
119.95147	3.0
120.53374	1.6
123.04457	9.1
123.08079	14.5
123.11697	10.2
124.07589	5.6
124.11256	2.4
125.06003	14.9
126.03152	5.1
127.03908	5.4
133.10124	2.5
134.05997	9.9
137.02370	1.7
141.05475	19.2
142.12294	3.3
151.03984	10.5
151.05020	3.4
151.07530	4.8
151.08694	5.5
151.11185	10.3
152.07066	17.2
161.04839	2.9
163.97716	6.1
169.04999	13.1
169.07516	8.5
169.09862	3.0
169.12242	7.7
169.17870	25.6
170.04506	1.8
170.05888	2.4
170.08127	13.7
170.09656	13.8
181.98679	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	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
55.01867	1.9
55.05515	2.6
57.03439	1.1
57.07082	7.5
59.05004	1.5
65.03908	0.6
67.05505	11.4
67.05844	1.0
69.03428	2.0
69.07071	5.5
69.20036	1.5
69.20444	1.5
71.05005	3.3
72.04491	0.5
78.80849	0.4
79.05492	2.3
81.03442	0.8
81.07059	12.5
83.04980	1.5
83.08625	2.7
85.02911	1.1
85.06566	3.0
85.10216	0.8
85.94592	0.6
86.06066	1.0
86.09710	100.0
91.05480	2.3
92.04998	0.6
93.05795	1.3
93.07052	3.6
95.04980	2.2
95.06138	0.5
95.08608	7.8
97.06535	1.3
99.04457	1.1
99.08066	0.6
105.07031	1.7
107.08591	2.6
108.04494	0.5
109.02859	0.7
109.06523	2.7
109.10161	33.2
110.06068	0.7
110.10504	1.8
111.04527	0.5
111.08084	35.9
112.08444	1.6
112.72140	0.5
113.06016	1.0
116.10760	0.8
121.10139	0.9
123.04397	0.6
123.08089	1.5
123.11706	7.1
124.07610	1.8
125.09657	0.7
127.11196	35.3
128.10727	17.4
128.11542	1.4
133.10150	1.3
134.06020	1.3
137.02325	2.2
139.11101	0.7
141.05569	1.0
141.07031	0.9
151.03857	0.5
151.11171	2.5
152.07083	2.0
154.07809	0.8
163.97720	0.7
169.04958	1.2
169.06474	0.5
169.07611	3.6
169.10074	1.9
169.12271	5.1
170.05984	0.5
170.08133	1.6
170.09692	3.8
170.11737	3.3
176.12715	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	169.1225
Annotation	(-)-1,2-campholide
Peak:m/z	Relative Intensity
55.01873	1.9
55.05513	4.0
57.03435	1.4
57.07078	6.7
59.05005	1.5
65.03971	0.7
67.05508	13.7
69.03435	2.2
69.07083	4.8
69.18510	1.3
69.18926	2.7
71.05000	2.6
73.09480	0.6
79.05511	2.6
81.03413	0.9
81.07065	15.5
82.07364	0.8
83.04968	1.3
83.08647	3.1
85.02934	1.3
85.06546	2.7
86.06055	1.6
86.09711	100.0
91.05482	2.0
92.05019	0.8
92.11156	0.6
93.05801	0.8
93.07045	3.6
94.07403	0.6
95.04964	2.9
95.08619	12.1
96.25024	0.7
97.06546	1.5
98.23375	1.0
99.04462	1.5
105.07043	2.0
107.08629	3.3
109.02906	1.1
109.06532	2.3
109.10164	35.5
110.06073	1.0
110.10513	1.8
111.04459	0.8
111.08089	39.4
112.08436	1.5
113.06044	1.5
116.10773	0.9
121.10134	0.8
123.08057	1.7
123.11710	9.4
124.07596	1.7
124.12022	0.9
127.11201	35.1
128.10730	20.1
128.11520	1.1
133.10109	1.3
134.06018	0.8
137.02336	2.8
141.05484	2.2
151.08655	0.8
151.11186	3.1
152.07085	2.2
164.08144	0.6
169.05025	0.9
169.07674	5.4
169.09923	1.3
169.12257	5.7
170.05905	0.9
170.08148	1.8
170.09674	4.0
170.11784	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	170.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95118	0.3
58.55996	0.3
68.83540	0.3
71.81864	0.3
72.04510	0.5
72.08157	0.4
74.57449	0.3
81.03426	1.4
89.03866	0.3
92.04984	0.3
107.01307	1.1
109.02870	1.2
110.06040	0.3
115.05456	52.2
116.04953	0.8
116.05800	1.8
124.07622	0.5
125.02379	1.1
127.03893	1.3
134.06020	0.5
139.03996	0.3
140.04953	0.8
142.06525	33.0
143.05006	0.4
143.06894	1.6
152.07072	0.5
153.01840	1.3
160.07544	0.9
170.06009	100.0
171.06508	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	170.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.2
52.90695	0.2
53.03957	0.3
55.01881	0.3
56.05053	0.4
64.33832	0.2
65.03942	0.2
68.05031	0.5
69.03438	0.3
70.06596	0.2
71.28409	0.3
79.05502	1.4
80.05016	0.5
81.03432	0.6
81.05790	0.8
82.06598	0.3
83.06128	0.5
84.04517	0.9
91.82000	0.2
94.06583	0.4
95.04939	0.2
95.06102	0.4
96.06880	3.6
96.07468	0.3
96.08134	1.9
97.07666	0.9
106.06568	1.7
107.01334	0.9
107.04936	0.3
109.02888	1.0
109.07655	2.2
110.07242	0.2
114.05552	0.5
119.01928	0.5
123.06799	0.9
124.07600	6.9
124.08601	0.4
125.02361	0.6
125.07136	0.3
126.10291	0.7
127.03922	0.6
134.06020	76.4
135.06371	2.6
137.04767	0.4
142.05026	0.3
142.08662	0.3
150.05586	0.4
152.07072	100.0
153.01836	0.7
153.05544	0.3
153.07436	3.7
170.08119	10.6
170.09351	1.0
171.08527	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	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03944	0.9
55.01870	0.9
55.05517	0.4
56.05037	0.7
56.96570	3.0
62.53392	0.3
62.96317	0.3
65.03943	0.9
68.05019	0.6
69.03421	1.1
70.06602	0.6
70.94216	0.4
71.30183	0.4
72.04527	0.6
79.01852	1.3
79.05491	1.4
80.05017	0.6
81.03421	10.4
81.04510	0.3
81.05800	0.8
81.07043	0.3
82.06597	0.7
83.04997	0.3
83.06112	1.4
83.08613	0.3
84.04514	1.6
84.79216	0.3
84.96054	0.4
92.05016	0.3
93.05801	0.6
94.06602	0.3
95.06084	1.7
96.02120	0.7
96.06877	13.8
96.08124	2.8
97.02908	0.9
97.07670	2.9
97.99174	0.3
103.14880	0.3
106.05947	0.3
106.06552	1.7
107.00725	0.2
107.01318	12.8
109.02888	15.2
109.07646	9.0
110.06037	0.4
110.07173	1.7
110.33792	0.3
111.04441	1.2
114.05549	1.1
119.01899	0.3
123.06815	0.8
124.07601	6.1
124.08707	1.8
125.02357	8.6
125.03262	0.6
125.07075	1.5
126.10297	2.9
127.03918	12.5
128.95096	0.7
134.06020	70.0
135.00781	1.3
135.06354	2.2
137.03497	0.5
137.04732	0.4
139.03917	0.8
142.05005	0.9
142.08612	0.5
143.01653	0.4
152.07072	100.0
153.01834	11.5
153.07474	4.4
170.08119	11.9
170.09355	7.1
170.11598	0.3
171.02921	3.8
171.08434	0.3
171.14882	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	170.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73003	0.2
55.01875	1.2
55.05509	0.4
57.07079	2.1
60.04541	0.2
69.53091	0.5
71.87698	0.1
72.04529	1.4
83.08628	0.3
86.06088	0.7
86.09712	100.0
86.21258	0.1
87.09515	0.1
87.10036	2.4
89.07149	0.8
89.30942	0.1
92.05038	0.2
93.05769	0.1
96.08134	0.2
102.06288	0.1
107.01321	0.2
110.06071	0.3
110.07226	0.2
116.10740	1.0
124.07572	0.3
125.62630	0.1
128.10727	18.9
129.07022	0.2
129.11063	0.4
141.27525	0.1
142.12282	0.4
152.07074	0.4
170.08112	0.6
170.09671	0.6
170.11772	2.7
171.11830	0.2
171.14963	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	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02393	1.7
53.03945	5.5
55.01868	4.3
55.05515	1.4
65.03948	1.8
69.03437	5.1
69.04264	2.9
69.04688	1.9
72.04512	2.6
72.08163	1.6
79.01852	9.4
81.03418	76.1
82.03744	1.5
83.04969	1.4
84.04499	0.7
85.04823	1.0
89.07175	1.2
96.02110	4.4
97.02892	5.9
97.08473	1.0
100.07642	1.3
107.01318	82.7
108.01653	2.6
109.02880	100.0
110.03230	2.6
111.04456	6.5
113.51637	0.7
114.05547	0.7
120.88357	0.6
125.02354	55.5
126.02696	1.3
127.03917	77.9
128.04230	1.4
135.00768	7.8
135.06371	5.1
137.03468	2.5
139.03902	5.9
143.03387	1.9
143.05243	0.6
153.01830	81.2
153.07428	8.6
154.02161	2.6
171.02881	20.5
171.08488	1.4
171.14928	1.6
172.03201	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	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02386	2.5
51.94555	0.8
53.03953	6.5
55.01870	4.9
57.66525	0.8
69.03434	5.4
69.36592	4.6
72.04514	2.1
72.08152	2.7
79.01855	11.1
81.03423	75.0
82.03792	1.6
83.74579	0.7
89.07159	1.1
96.02130	3.7
96.95264	0.8
97.02904	6.2
107.01321	83.7
108.01658	1.7
109.02884	100.0
110.03243	1.6
111.04434	0.8
125.02361	58.9
126.02637	0.8
127.03923	78.1
128.04263	1.3
128.06239	1.5
133.75200	0.9
135.00780	9.8
137.03444	4.2
139.03979	1.1
143.03398	2.5
150.86128	0.8
153.01837	80.4
154.02206	1.9
171.02905	20.2
171.05569	0.9
171.07875	1.0
187.76022	0.9
188.31586	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	171.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
51.02389	1.7
52.91912	0.6
53.03952	5.8
55.01873	3.2
55.05517	1.3
56.05030	1.5
64.10565	0.6
65.03935	2.2
67.05516	0.9
68.99799	1.0
69.03419	5.0
69.07061	3.1
70.55740	1.4
71.08633	1.9
72.04520	3.8
79.01849	8.3
79.03607	0.7
79.05495	1.0
81.03422	65.7
82.03741	2.1
84.04516	10.8
86.09702	2.3
88.11276	5.2
89.07164	3.0
91.55337	0.6
93.03420	0.7
94.67644	0.6
96.02135	4.2
97.02912	5.9
98.97575	0.7
104.03461	2.5
107.01321	78.4
107.08598	1.1
108.01667	2.5
109.02884	100.0
110.03219	2.6
111.04454	8.5
112.07558	0.7
125.02358	56.4
126.02711	1.4
127.03920	79.5
128.04259	2.7
135.00763	8.8
137.03474	2.6
139.03920	9.4
143.03409	1.6
153.01833	82.1
154.02161	2.3
156.03725	0.6
171.02904	22.0
171.04375	1.4
171.05983	0.7
171.10092	1.0
171.14952	2.5
172.09666	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	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02374	0.9
53.00294	1.2
53.03945	6.5
55.01872	6.6
55.05512	4.9
65.03944	21.6
67.05499	2.7
68.99794	7.7
69.03427	6.0
69.07069	12.5
69.71273	3.6
72.04527	7.8
75.04490	1.2
79.01868	11.4
79.05531	0.9
81.03420	68.3
82.03754	2.1
83.01376	0.9
83.04977	8.6
84.04504	0.9
84.08176	1.1
86.09715	7.0
89.07167	4.5
93.03409	7.4
96.02106	4.7
97.02911	7.5
98.97608	1.0
99.04479	0.9
104.03474	8.3
107.01322	78.1
107.08606	0.9
108.01664	1.1
109.02884	100.0
110.03204	3.6
111.04446	72.9
111.08070	1.3
112.04764	1.6
112.07588	3.7
113.02416	1.0
116.03450	2.3
121.02894	1.6
121.04002	6.7
125.02358	54.6
126.02699	1.4
127.03918	72.8
128.04251	5.5
135.00780	9.9
137.03473	2.3
139.03905	79.8
140.04291	2.2
143.03410	1.8
153.01833	77.5
154.02200	2.4
154.08664	1.7
156.03761	3.5
156.09354	1.2
171.02896	21.1
171.06613	5.9
171.10135	1.0
171.11475	0.9
171.14960	2.0
172.07658	0.8
172.09683	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	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02385	1.4
52.16907	1.2
53.03949	5.4
55.01868	4.8
55.05516	7.5
57.03429	1.6
63.72761	1.0
64.17931	1.1
67.05493	3.1
68.99819	1.2
69.03426	7.2
69.07076	3.0
71.04991	1.7
71.30653	1.3
72.04509	17.0
79.01861	9.4
79.05481	2.3
81.03420	77.9
81.07063	2.2
82.03757	1.7
83.08619	6.5
87.20107	1.1
89.07163	15.4
93.07071	1.4
96.02117	3.6
97.02891	8.7
97.06542	2.8
98.97591	1.4
107.01317	82.9
107.08593	2.6
108.01620	2.2
109.02883	100.0
109.10201	1.2
110.03220	2.7
111.04446	2.6
125.02358	60.7
126.02712	1.4
127.03922	78.7
128.04218	3.2
128.06229	2.4
129.07016	1.5
135.00778	9.2
137.03455	2.6
139.03891	3.8
141.07001	1.2
143.03366	2.0
143.08522	2.2
153.01825	78.4
153.06590	1.3
154.02182	1.1
156.09325	3.2
171.02892	24.9
171.05429	2.3
171.07870	1.3
171.09183	3.9
171.11726	3.5
171.14952	9.1
188.83325	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	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.00140	0.4
51.02372	0.5
53.03946	2.5
55.01870	3.8
55.05514	4.6
57.07076	0.6
58.96111	0.4
65.03943	27.2
65.32100	0.4
66.04272	0.6
67.05499	2.4
68.02613	0.6
68.99792	9.6
69.03431	2.9
69.07078	0.7
71.01348	0.7
71.05000	0.7
71.08665	0.4
71.84132	0.4
72.04518	7.0
73.83938	0.4
79.01854	3.1
79.05482	1.7
81.03420	19.6
81.07061	0.5
81.22073	0.4
82.03706	0.4
83.01344	0.6
83.04980	11.3
83.08627	1.2
84.04491	2.0
86.09280	0.4
88.11256	0.8
89.07153	3.8
93.03403	8.2
93.07055	0.6
96.02118	2.9
97.02888	3.1
97.06520	0.7
98.97623	0.5
99.04489	0.5
107.01318	18.2
107.04955	0.6
107.08592	1.6
109.02882	21.9
110.03086	0.6
110.03728	0.6
111.04442	93.5
111.08083	1.5
112.04778	1.8
121.02930	1.3
121.03992	8.7
125.01529	1.6
125.02353	12.7
125.05986	3.4
125.09630	1.3
126.02768	0.5
127.03917	15.6
128.04256	0.6
128.06209	0.6
135.00771	1.6
135.07980	0.5
136.05151	0.5
137.03456	0.9
139.03900	100.0
140.04213	4.2
143.03409	0.7
143.08559	1.0
153.01840	20.1
153.05490	0.9
153.09142	0.7
154.02155	0.9
154.46725	0.4
156.04214	0.8
156.09344	1.8
166.84059	0.4
171.02962	5.2
171.06592	5.2
171.11630	0.7
171.14967	2.7
172.17052	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	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02383	1.0
53.03957	2.5
55.01873	4.0
55.05515	5.6
56.05032	1.1
57.03425	0.8
65.03944	24.5
67.05498	2.7
68.02658	0.6
68.99438	0.7
68.99793	7.8
69.03435	3.6
69.07066	0.6
71.01379	0.6
71.04977	0.5
71.08636	1.8
71.28833	0.6
72.04519	8.5
79.01856	3.7
79.05507	1.3
80.48331	0.5
81.03421	24.9
81.07056	1.2
82.03763	0.6
83.01325	0.6
83.04985	10.3
83.08627	2.6
84.04504	7.4
88.11275	5.0
89.07161	5.6
91.05499	0.8
92.06381	0.5
93.03408	8.6
93.07073	1.0
95.04969	0.8
96.02109	3.1
97.02895	4.0
97.06551	0.9
98.97586	0.7
107.01319	21.9
107.05020	0.8
107.08588	2.4
108.01680	1.0
109.02885	26.5
109.10153	1.1
110.03668	1.6
110.04385	0.4
111.04446	97.7
111.08075	1.4
111.11521	0.5
112.04763	2.7
113.02347	0.5
116.98625	0.6
121.02103	0.5
121.02917	1.4
121.03996	7.0
125.01536	2.1
125.02360	16.9
125.05990	4.5
125.09624	1.8
126.02722	0.6
127.03922	21.3
128.04240	0.8
128.06250	0.9
128.14383	0.6
135.00783	1.9
136.05222	0.7
136.08665	0.6
137.03484	0.6
139.03906	100.0
140.04250	2.9
143.03357	1.1
143.08531	1.2
153.01857	25.7
153.05475	1.6
153.06638	0.6
153.09135	1.4
154.02206	0.5
156.04192	0.6
156.09346	2.7
171.02995	6.4
171.06627	6.6
171.08017	1.0
171.10173	0.6
171.11696	1.4
171.13704	0.6
171.14957	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	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03943	0.9
55.01882	2.8
55.05514	2.9
64.09207	0.4
65.03942	29.6
66.04276	1.0
67.05512	2.4
68.02612	0.4
68.99794	10.5
69.03424	1.7
79.01855	1.0
81.03422	4.7
83.01334	0.7
83.04488	0.7
83.04984	11.7
93.02822	0.7
93.03410	13.4
94.03747	0.5
94.35030	0.5
96.02111	1.6
97.02895	1.3
98.23378	0.9
109.02878	1.2
109.95635	0.4
110.03687	0.6
110.45216	0.4
111.04445	88.7
112.04778	1.7
121.02895	1.4
121.03989	9.5
127.03908	0.7
134.30763	0.5
136.92332	0.4
139.03905	100.0
140.04216	2.8
153.01872	0.4
153.18228	0.5
171.06540	5.4
174.14488	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	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02383	1.2
53.03941	3.0
55.01875	5.9
55.05511	3.8
56.05024	0.5
56.20219	0.5
65.03940	30.3
66.04269	0.7
67.05502	2.2
68.99442	0.8
68.99787	10.0
69.03430	5.2
70.06587	1.4
71.01342	0.6
71.29115	0.5
72.04517	2.8
72.08140	0.8
72.93766	0.5
79.01855	6.1
81.03416	44.1
82.03745	1.2
83.01318	0.5
83.04977	13.1
83.06066	0.6
83.08645	0.6
84.04503	6.5
84.06426	0.8
84.08138	1.8
86.06062	0.9
89.07140	1.4
93.03402	11.9
95.04957	0.5
96.02101	3.2
96.06884	2.7
97.02876	5.3
97.06615	0.9
97.07195	3.4
97.07697	0.5
98.07996	0.8
100.02496	0.5
100.07590	0.9
101.00877	1.6
107.01314	46.6
108.01645	1.8
108.95725	0.5
109.02878	56.9
109.07586	0.7
110.03223	1.7
110.07327	0.6
110.07982	4.0
111.00792	1.1
111.04439	88.9
112.04099	0.4
112.04730	2.5
114.05530	0.9
119.01908	5.4
120.01958	0.5
121.02888	1.7
121.03988	10.7
125.02353	30.7
125.07088	1.2
125.09046	1.6
126.02707	0.7
126.05510	1.1
126.09104	0.6
127.03912	45.6
127.10611	0.9
128.04271	1.8
130.05049	2.7
135.00781	5.4
137.03397	0.7
139.03897	100.0
140.04211	3.2
143.03383	1.1
145.14166	0.5
145.56697	0.5
147.01381	0.7
153.01825	47.6
153.07434	0.7
153.27592	0.5
154.02170	1.6
171.02875	13.5
171.06497	5.6
171.07721	0.8
171.09625	3.1
171.14912	1.5
172.03070	0.5
172.07256	0.6
172.09644	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	171.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64336	0.3
53.03941	0.8
55.01878	3.3
55.05515	4.0
55.51164	0.3
65.03947	31.3
66.04284	0.7
67.05509	2.2
68.02653	0.4
68.99794	9.2
69.03431	2.8
70.60707	0.7
70.94264	0.3
71.05019	0.5
72.04515	0.9
79.01862	1.4
81.03426	7.3
83.01342	0.6
83.04991	12.8
83.31637	0.3
86.06105	0.4
88.95345	0.5
89.07150	0.4
93.02814	0.7
93.03413	13.4
94.62936	0.3
96.02146	1.9
97.02908	2.0
107.01309	3.8
109.02879	4.2
111.04449	93.9
112.04775	3.1
121.02894	1.5
121.04000	10.5
122.04479	0.3
125.02385	2.3
127.03921	3.1
135.00734	0.5
139.03911	100.0
140.04225	4.0
153.01825	3.4
153.07399	0.5
156.03931	0.4
171.02921	0.8
171.06531	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	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.35741	11.8
55.05507	36.1
61.09653	11.0
67.79712	11.4
69.07056	19.3
71.04990	43.7
71.28959	19.9
72.04520	70.1
72.04855	12.3
79.05495	31.9
81.03411	20.6
81.07047	100.0
83.08632	20.3
89.07151	46.2
93.07045	55.1
103.95492	12.5
107.01305	27.2
107.08593	39.1
109.02865	40.1
121.46741	12.0
125.02330	13.5
127.03908	32.5
128.06230	21.7
135.11690	35.5
153.01808	38.7
153.12737	24.2
156.09360	14.0
171.08000	13.3
171.11646	23.2
171.14925	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	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92009	0.5
55.01892	0.7
55.05514	9.4
56.05046	0.9
57.03437	0.8
58.06607	0.6
58.52817	0.5
59.05011	1.2
60.04537	0.7
67.05504	2.1
69.07071	100.0
69.34794	2.9
70.02949	1.1
70.06599	1.4
70.07403	2.6
71.04989	0.7
72.04530	1.2
72.08163	1.8
72.93781	0.7
81.03422	1.5
81.07066	2.0
82.03760	2.4
83.04981	9.1
83.08587	0.7
84.04517	2.3
84.08148	8.0
85.02908	1.5
85.04845	1.3
85.06546	1.0
86.02420	3.2
86.09708	52.9
87.00832	7.3
87.04413	0.6
87.10049	1.2
88.11280	2.7
89.11626	0.8
91.05482	2.3
93.07048	1.2
95.04966	0.5
98.02406	3.4
98.97616	0.9
101.06033	6.3
103.64556	0.5
104.03468	70.1
105.03821	0.9
105.07016	1.1
107.01303	0.8
108.01685	2.6
108.08113	0.6
109.02921	0.9
109.06530	1.4
110.03238	3.5
111.04449	11.1
111.08089	1.0
111.95121	0.6
112.04022	0.6
112.04790	1.7
112.07613	21.6
113.06039	1.2
113.07923	0.7
115.04081	0.5
116.03456	13.7
117.07014	0.9
119.08617	1.4
121.08919	0.6
126.02680	2.1
126.05526	0.9
126.09164	0.7
127.03875	0.9
127.07553	1.4
128.04253	3.0
128.06248	1.0
128.10719	0.6
129.05482	2.8
129.07005	1.1
131.08537	3.0
131.96153	0.8
137.06006	1.3
140.04260	2.6
143.08554	3.0
144.09282	0.6
145.10126	1.8
148.97398	0.6
149.97256	0.9
154.02177	3.7
154.08633	12.7
155.07059	6.7
155.08948	0.9
158.10909	2.6
172.03250	0.8
172.09705	29.0
173.08162	8.3
173.09715	1.3
173.13254	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	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05512	22.6
57.07087	3.5
59.05000	3.5
67.05505	2.5
68.99767	0.8
69.03427	2.1
69.07069	30.1
69.12841	4.6
70.02957	19.5
70.06597	1.1
72.04531	0.6
72.93784	6.6
73.02905	0.8
75.33775	0.5
75.49873	0.6
81.07061	1.3
82.02784	0.5
83.04986	23.5
84.08144	17.4
85.06545	1.9
86.02422	1.3
86.09707	100.0
87.00828	14.9
87.04465	1.9
87.10035	2.2
89.02364	1.4
90.94820	5.6
94.06566	1.6
95.04955	0.9
98.01834	0.6
98.02428	7.7
98.97590	1.4
99.04449	1.0
101.06020	14.4
104.03465	32.6
108.01673	0.8
108.95890	1.3
110.03197	1.4
111.03834	0.3
111.04443	22.1
112.03967	53.6
112.07600	14.5
113.04308	1.6
113.05984	3.0
113.96372	0.9
115.05441	0.8
116.03459	27.0
116.98594	1.5
118.06571	0.8
126.05537	0.6
127.07547	2.6
129.05489	8.2
129.06987	0.7
130.05043	0.7
130.06596	0.8
130.08662	1.0
131.08545	0.7
134.99686	1.2
145.06563	0.8
145.07607	0.9
145.10101	1.2
149.96120	1.7
154.08669	2.5
155.07039	14.6
155.64038	0.6
167.97188	1.9
172.07545	0.8
172.09711	11.8
172.11168	1.3
172.15361	1.0
172.16992	1.3
173.06729	1.0
173.08138	19.4
173.09637	1.2
173.13289	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03934	1.2
55.05512	21.4
55.96886	0.7
59.04989	3.6
60.04513	1.2
65.03951	1.1
65.26351	0.7
67.05510	5.1
69.03424	1.3
69.07070	2.7
72.93784	2.8
79.05487	3.0
81.07050	5.0
83.04974	19.0
85.06553	1.0
86.06074	1.0
86.09681	1.5
87.04454	2.2
87.05602	1.0
89.02406	1.4
90.94831	2.2
91.05482	12.5
93.07033	1.5
95.08619	1.3
97.10161	0.8
98.98496	0.8
99.04441	0.9
101.06014	14.2
103.05471	1.0
105.07036	11.2
109.06487	1.6
111.04444	23.0
113.06001	2.5
115.05466	1.8
116.06213	3.7
117.07033	7.6
118.06504	1.0
119.08578	18.7
119.09440	0.9
127.07556	3.0
128.04936	1.1
128.06262	2.2
128.10741	1.8
129.05475	5.9
129.06990	13.8
130.07748	3.5
131.08565	66.3
131.96153	1.4
132.08905	2.6
133.10115	2.7
137.05951	1.3
141.06938	1.5
143.08562	27.7
144.09349	10.4
145.06471	1.6
145.10123	38.2
146.05997	6.5
146.10452	1.6
149.97176	1.2
150.96846	1.4
155.05028	1.3
155.07034	13.5
155.08234	1.5
156.07355	0.9
156.09323	1.4
156.13829	5.4
157.10115	2.0
158.10912	33.9
159.11194	2.0
167.97208	1.0
171.11693	2.5
173.05865	1.4
173.08151	16.4
173.13258	100.0
174.13593	3.6
174.14925	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03935	2.4
53.11195	1.0
55.01863	1.6
55.05512	48.7
56.05851	0.8
58.63210	0.8
59.05002	10.8
67.05499	2.6
69.03416	2.2
69.07050	1.3
69.72433	3.3
70.95865	1.0
71.06099	1.3
71.08612	3.1
72.93781	4.8
73.02907	0.8
75.05497	0.8
75.31041	0.7
76.02219	2.2
79.05476	2.2
81.03442	0.8
81.07069	1.1
83.04984	52.6
84.04502	1.2
84.05289	1.3
86.06045	2.3
87.04450	4.1
89.02390	3.9
90.90337	1.7
90.94817	4.5
91.05486	9.9
93.03386	0.8
99.04440	2.8
99.08100	1.5
101.06016	36.6
102.06324	1.1
103.03294	3.5
103.05444	1.0
105.06378	1.3
105.07027	17.9
108.95824	1.9
111.04445	52.2
112.04734	2.1
113.06012	5.8
113.96355	0.9
114.05563	1.2
115.05462	6.0
117.07018	11.0
118.06526	1.6
119.08583	11.3
127.07556	6.1
128.06206	2.8
129.05486	23.4
129.06982	8.7
129.99493	0.8
130.07803	10.9
131.04951	0.8
131.08569	29.1
131.97462	1.0
132.06590	0.8
132.95848	1.1
133.10120	2.6
137.05971	1.6
137.07054	0.8
143.08545	19.6
144.05678	1.0
144.09355	5.6
145.06483	8.7
145.07602	1.8
145.10126	44.9
146.05952	1.7
146.10437	2.1
149.96077	1.1
149.97151	0.9
150.96877	2.3
153.06981	3.1
154.07751	1.0
155.07019	35.4
155.08528	13.3
156.07372	1.6
156.09296	1.2
157.06496	1.5
157.10057	1.2
158.07277	45.0
158.10898	26.3
159.07608	2.7
159.11308	1.3
163.07530	0.8
167.97093	1.3
171.11691	2.3
173.05840	2.1
173.08138	48.3
173.09628	100.0
173.13252	69.5
173.14778	1.8
174.05382	1.6
174.08624	2.0
174.09955	5.3
174.13669	2.9
174.18486	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	173.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05518	29.6
55.96533	0.9
56.27824	0.9
57.07077	1.6
57.35098	1.1
58.76367	1.0
59.05004	8.4
67.05515	1.5
67.16792	1.1
69.07076	14.7
69.41659	3.4
69.42078	1.9
71.08637	100.0
72.08969	3.5
72.93788	2.9
73.02879	1.4
73.99043	1.0
76.02223	1.3
76.67107	1.1
81.07043	1.9
83.04989	26.5
84.04551	1.6
85.06531	1.5
86.06077	1.0
87.04471	1.5
89.02398	2.3
90.94830	2.1
91.05508	1.8
92.75014	1.1
95.08546	1.4
97.02888	1.1
98.23290	2.1
99.04469	2.5
99.08100	54.5
101.06023	20.9
103.03313	1.4
105.07032	1.5
111.04449	33.4
113.05997	2.5
117.07036	1.2
119.08530	2.2
126.28436	0.9
127.07529	1.7
129.05489	9.1
129.06985	1.8
129.12776	5.8
131.08571	9.1
143.08589	3.2
144.09389	1.2
145.10135	7.5
149.96056	1.0
155.07050	17.3
155.08226	2.0
156.07416	2.1
158.07338	1.8
158.10921	6.2
173.08142	25.4
173.09641	2.8
173.13271	18.3
174.08531	1.5
175.61105	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	174.0551
Annotation	Atrazine-desisopropyl
Peak:m/z	Relative Intensity
53.08070	0.2
55.05507	0.2
56.05844	0.2
60.04547	0.3
60.05648	0.6
65.20013	0.2
69.35792	0.9
70.06597	1.4
70.96702	0.1
83.04966	0.2
84.04499	0.3
85.02910	0.2
86.06087	0.2
86.09710	3.8
91.05500	0.8
97.02882	0.3
98.98466	1.5
102.06358	0.2
103.05486	0.9
105.07040	0.5
111.98478	0.2
112.04745	0.3
116.07089	0.4
117.20100	0.2
118.06536	0.7
119.08569	0.5
128.04955	4.0
128.10713	0.4
129.05598	0.3
130.06528	13.2
130.09779	0.3
131.06882	0.7
131.97435	0.2
132.04453	0.7
132.10196	0.6
132.95767	0.3
133.10103	0.4
146.06010	26.9
147.06387	0.9
150.96881	0.3
155.97389	0.2
156.04416	0.4
156.07375	0.3
160.08247	0.2
174.05505	100.0
175.05861	4.3
175.07402	0.4
175.11200	0.3
175.14798	0.3
176.99251	0.2
177.37904	0.2
184.47450	0.1
185.06816	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	174.0915
Annotation	Pyroquilon
Peak:m/z	Relative Intensity
53.03946	1.4
54.03467	0.8
55.01876	61.7
55.05505	2.5
56.02214	0.8
56.05839	2.1
60.05635	2.5
61.05307	0.5
65.03939	1.8
68.05010	0.8
69.03429	1.6
69.86584	2.1
70.06602	5.5
70.95871	0.8
72.93777	0.8
77.03938	0.8
78.22345	0.6
79.11263	0.6
81.07049	1.0
82.02929	1.7
82.06564	1.0
83.03733	1.3
83.04983	1.7
84.04540	0.8
84.05301	2.3
85.02885	0.7
86.06052	2.6
91.05486	79.1
92.05019	3.8
92.05807	2.6
95.05004	1.2
96.04507	3.1
97.02868	0.9
98.98475	11.3
98.99084	0.6
101.06014	0.9
102.06378	1.0
103.05469	8.0
104.04993	1.5
105.03382	1.7
105.07033	4.1
106.06589	4.1
108.21596	0.6
111.04427	0.8
112.04785	2.1
114.05579	1.0
115.05420	4.2
116.07080	1.6
117.05767	2.3
117.07008	3.8
118.06551	8.8
119.07339	0.8
119.08602	4.8
120.04474	21.7
120.08104	9.4
121.02898	1.3
128.04982	9.9
128.06255	4.6
128.07069	1.6
129.05505	0.9
129.07011	23.0
130.05696	0.9
130.06599	4.7
130.07394	1.3
130.09785	0.9
131.04930	1.3
131.07291	1.2
131.08572	7.1
131.97478	0.8
132.04468	16.9
132.06601	1.0
132.08089	15.1
132.08940	0.8
132.95854	1.4
133.06468	0.9
133.10138	3.5
142.07802	0.9
144.08102	1.8
145.06491	1.5
145.08754	1.1
146.02390	3.8
146.06017	49.7
146.09628	16.9
147.06371	2.2
147.11688	1.1
150.05479	1.9
150.96864	2.4
156.04448	9.2
156.08311	3.1
157.06505	7.2
157.10158	0.9
158.09567	0.9
160.05222	1.1
172.03995	0.8
174.05522	100.0
174.09152	75.7
174.12799	3.6
175.05858	4.8
175.07410	1.6
175.09479	2.4
175.11234	2.7
175.14766	3.6
190.04958	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	174.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01476	0.3
55.01903	0.3
55.05510	1.3
56.05854	1.0
57.07079	4.2
60.05651	7.3
61.02934	2.9
65.69410	0.3
68.17740	0.3
69.09460	2.4
70.06597	23.1
70.95864	0.4
71.05006	0.4
71.21030	0.3
72.08157	1.2
73.02922	0.6
76.15538	0.3
77.38248	0.3
83.04990	0.7
84.05308	0.7
86.06066	0.8
86.09709	100.0
87.04478	0.4
87.10052	2.0
88.07603	0.4
89.06031	2.9
91.05499	1.7
93.46456	0.3
98.98470	6.3
101.05998	0.5
102.06358	0.7
105.07035	0.8
111.04471	0.4
112.04762	1.3
112.08720	0.9
115.05447	1.3
116.05794	0.9
116.07088	7.7
117.06997	0.7
118.04231	0.3
118.06541	0.5
118.07398	0.4
119.04991	0.5
119.08582	1.7
128.07059	0.5
128.29150	0.3
129.06985	0.4
130.05775	0.4
130.09763	2.7
131.04803	0.3
131.08566	0.4
132.05682	0.4
132.06606	0.5
132.08080	0.8
132.21516	0.3
132.95836	0.3
133.06393	0.3
133.10126	0.9
142.07802	0.3
143.05055	0.3
144.05663	0.4
146.06938	0.6
146.11778	0.8
147.08098	0.4
150.96843	0.6
156.07394	1.0
157.04353	0.4
157.10226	0.4
158.09232	1.6
160.05225	1.8
173.06041	0.3
174.08522	1.0
174.12669	1.6
174.14905	13.1
175.07510	3.3
175.12016	4.0
175.14987	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	175.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.5
57.03432	2.1
57.07072	1.7
58.07409	0.8
61.02937	0.8
62.06090	2.6
63.06422	0.8
69.03422	3.5
71.01353	1.1
71.08627	1.5
72.08984	0.7
73.02908	0.6
85.02906	100.0
86.03214	1.1
91.05490	2.2
94.20294	0.5
97.02886	4.1
98.98472	4.5
105.07037	3.3
107.08577	0.6
115.03939	6.7
116.97335	0.7
117.06996	0.6
119.04906	0.8
119.08580	5.2
127.03923	3.7
131.08559	0.6
133.10129	3.7
140.04196	0.6
142.07747	0.7
147.11746	1.3
157.10144	0.7
157.17860	2.0
168.93257	0.7
174.18533	3.2
175.07436	1.1
175.11200	2.4
175.14839	4.3
175.18869	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	175.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.7
55.01870	3.0
55.05510	1.4
57.03424	2.5
59.05000	1.3
60.05654	1.4
61.02938	3.9
67.05512	1.7
69.03429	100.0
69.07077	2.7
69.11104	2.6
69.11530	2.7
70.03769	1.9
70.06591	3.8
71.01329	0.8
73.90383	0.8
79.05495	2.3
81.07088	3.8
85.02908	21.8
87.04458	1.6
91.05473	8.6
93.07063	2.6
95.08598	2.7
96.55737	0.7
97.02892	42.3
98.03194	1.0
98.97527	0.8
98.98466	19.6
101.10664	0.7
105.06380	1.2
105.07035	15.3
107.08585	2.0
111.04438	0.7
115.03935	6.9
115.05422	1.1
116.07121	1.0
116.97202	1.7
116.98603	1.1
116.99442	0.9
117.07027	1.9
118.06566	0.9
119.04942	1.3
119.08586	21.2
120.08912	0.8
121.06527	5.9
129.07004	1.8
131.08572	3.1
133.06514	4.1
133.10133	15.5
142.07774	3.2
145.06522	2.8
145.10112	1.4
146.07266	2.8
147.04433	1.4
147.08012	5.2
147.11690	5.5
154.55019	0.8
157.05028	1.7
157.10138	3.3
159.08037	0.8
160.05225	1.3
160.08858	6.5
175.03836	1.4
175.06232	1.1
175.07623	3.0
175.11180	34.6
175.14803	14.3
176.07057	1.2
176.14357	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	175.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33357	1.0
53.03959	1.1
55.01867	1.6
55.62169	1.1
57.03431	4.0
58.69638	1.1
59.04970	1.1
60.05647	10.6
61.02927	2.7
69.03435	100.0
70.06596	38.4
70.98064	2.1
72.08158	1.0
73.53383	1.3
85.02912	22.8
87.04469	2.1
91.05478	2.9
91.91566	1.2
95.13313	1.0
97.02894	41.6
97.03515	2.4
98.98489	2.8
105.07030	2.3
112.08721	1.7
115.03921	5.7
116.07098	9.6
117.49921	0.9
119.08627	2.1
130.09769	3.5
133.10146	1.5
157.04965	1.7
175.07436	1.1
175.11928	6.1
175.14807	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	175.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68379	0.4
53.03952	0.5
55.01874	7.8
55.05506	0.8
57.03436	2.9
58.65487	0.4
60.05647	2.5
61.02922	1.2
67.05499	0.6
69.03430	6.6
69.07066	1.0
69.29935	2.5
70.06593	7.7
71.01349	1.5
72.08167	0.5
73.02934	0.7
79.05490	1.5
81.07063	1.2
83.04962	0.7
85.02907	100.0
86.03250	1.6
87.04464	0.5
91.05489	4.3
93.07050	0.6
95.04965	0.4
95.08611	1.5
97.02896	7.0
98.98472	6.7
105.07040	5.9
107.04990	0.4
107.08631	0.7
115.03934	5.9
115.05465	1.1
116.07066	1.9
117.07003	0.6
119.08585	9.8
125.20680	0.4
127.03912	3.4
129.06990	1.9
130.09804	0.5
131.08574	2.7
133.10129	4.6
142.07822	1.2
143.04955	0.6
145.10205	0.8
147.08047	1.2
147.11694	1.8
154.53990	0.4
157.10141	1.9
158.09291	0.8
160.05226	1.2
160.12579	0.6
175.07484	3.0
175.11081	6.6
175.14803	5.7
175.18925	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	175.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27085	1.1
55.01849	2.3
55.03609	1.3
55.05499	2.5
57.03427	5.7
57.68195	1.2
60.05648	19.2
61.02920	3.0
63.99055	1.2
66.92112	1.3
67.05497	2.0
69.03432	100.0
69.07056	3.6
70.03738	1.3
70.06596	45.1
71.04982	1.4
71.06925	1.6
71.28776	1.9
72.08141	3.1
75.92825	1.3
78.04207	1.2
79.05495	3.3
81.07058	9.0
85.02426	2.1
85.02906	24.3
87.04476	2.3
90.84965	1.4
91.05480	15.2
93.07037	4.5
93.76923	1.3
95.08594	6.1
97.02288	2.4
97.02896	42.8
98.03268	1.7
98.98470	27.6
105.07038	25.7
107.08569	2.9
112.08714	1.9
114.44614	1.3
115.03928	7.2
115.05450	18.3
116.06322	2.9
116.07079	15.3
117.06996	7.7
119.04953	2.9
119.08581	33.4
129.06981	4.7
130.06509	9.5
130.09724	5.5
131.04939	2.2
131.08551	3.9
132.05724	3.6
133.06555	2.1
133.09221	2.2
133.10130	24.3
142.07730	5.4
143.04903	4.2
144.05698	6.0
147.08022	6.0
147.11653	7.8
157.05016	1.8
157.10080	7.2
158.05988	5.0
158.09265	2.5
160.05203	39.7
160.08798	1.8
175.06012	3.4
175.07538	47.9
175.08975	2.8
175.11014	21.7
175.14812	26.7
176.06972	3.0
178.28648	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01897	0.5
55.05533	1.8
60.05667	1.1
65.03975	0.8
67.05526	1.9
69.07097	1.9
70.06599	4.3
77.03934	0.8
77.61623	0.6
79.05527	2.2
81.07062	3.1
81.22453	0.6
83.05000	0.9
85.02940	0.7
91.05489	12.0
91.06011	1.0
93.07041	1.4
95.08648	1.7
95.36958	0.5
98.98471	13.8
103.05511	1.4
104.06271	1.3
105.03400	0.9
105.07038	21.3
106.07401	0.6
107.04968	0.9
107.08614	1.5
115.05461	48.7
116.06267	2.0
116.07106	1.5
116.97247	1.0
117.07024	11.1
119.04985	2.1
119.08583	17.0
120.08930	0.7
121.06525	0.7
128.06221	3.8
129.06995	7.4
130.06551	1.6
130.09767	0.7
131.04951	3.6
131.08546	3.2
131.09396	0.5
132.05710	8.3
133.06497	1.7
133.10143	10.8
142.04163	1.1
142.07771	5.3
143.04929	8.5
144.05717	12.3
145.06464	1.8
145.10161	1.0
146.07254	0.9
147.04489	1.3
147.08063	7.1
147.11688	3.3
155.06018	1.3
157.06526	1.1
157.07712	0.7
157.10132	7.3
158.06001	1.0
160.05208	79.2
161.05594	3.2
175.07550	100.0
175.11095	16.0
175.14848	10.3
176.08038	4.5
176.11496	0.7
176.14330	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05653	35.0
68.05045	0.3
70.06596	100.0
70.86777	0.8
71.05008	1.8
71.06924	2.1
72.08164	3.7
81.57898	0.3
88.07639	0.5
97.07632	0.9
112.08727	4.0
114.10288	0.4
115.08699	0.4
116.07099	26.4
117.07431	0.5
130.09770	12.2
130.25835	0.4
157.10847	1.0
158.09256	6.9
175.11916	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05650	34.7
68.04994	0.3
69.77150	1.3
70.06593	100.0
71.04999	2.6
71.06929	1.5
72.08159	4.9
84.98674	0.3
88.07615	0.7
97.07635	0.7
98.06064	0.8
112.08734	4.7
113.07119	0.5
114.10298	0.9
115.08710	1.1
116.07093	26.8
117.07397	0.6
130.09766	11.2
132.02110	1.1
141.06458	0.4
157.10857	1.6
158.09258	6.8
175.11908	18.3
175.71384	0.3
176.12204	0.6
182.87018	0.4
188.12613	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00954	0.3
55.89833	0.3
60.05651	34.4
60.68055	0.4
66.37382	0.3
68.05036	0.4
69.78651	1.4
69.79000	0.5
70.06595	100.0
71.04980	1.7
71.06917	1.7
72.08161	4.0
74.35549	0.3
80.94541	0.3
88.07619	0.6
97.07661	0.6
98.06052	0.7
100.35892	0.3
108.46734	0.3
111.39381	0.3
112.08737	4.2
114.10281	0.7
115.08725	0.7
116.07095	26.1
117.07444	0.6
118.97884	0.3
130.09769	11.8
141.06598	0.6
157.10852	1.3
158.09245	7.2
161.17294	0.3
175.11911	19.8
176.12209	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	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05655	33.6
68.05031	0.3
69.23624	1.4
69.24055	0.4
70.06598	100.0
70.60880	0.2
71.05011	1.8
71.06300	0.2
71.06924	1.7
71.22866	0.2
72.01543	0.2
72.08162	3.9
78.70068	0.2
88.07640	0.6
97.07678	0.7
98.06059	0.7
112.08736	4.3
113.07124	0.4
114.10308	0.5
115.08720	0.6
116.07102	24.9
117.07478	0.6
130.09776	12.2
141.06541	0.6
157.10872	1.0
158.09264	6.1
175.11920	16.5
176.12207	0.4
189.71745	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69521	0.3
56.04944	0.3
60.05654	33.3
70.06598	100.0
71.04993	1.5
71.06934	2.1
72.08166	4.7
74.02454	0.2
79.78770	0.3
86.21116	0.3
88.07640	0.5
90.28738	0.3
97.07658	0.9
98.06064	1.0
112.08738	4.5
113.07145	0.4
114.10282	0.7
115.08662	0.6
116.07101	23.8
117.07506	0.3
130.09778	12.2
133.09821	0.4
141.06625	0.4
156.52440	0.3
157.10869	0.9
158.09247	6.2
159.46025	0.3
175.11920	16.6
176.12181	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.18283	0.6
53.03949	1.3
55.05515	7.3
57.07086	1.7
57.41397	0.6
60.05661	0.6
65.03922	0.9
66.20600	0.6
67.05506	4.5
69.07072	18.9
70.06595	3.2
71.28140	0.7
77.44601	0.6
79.05491	5.7
81.07055	18.7
83.08622	3.1
91.05484	26.1
92.05824	0.7
93.07042	8.7
95.08610	13.2
96.08955	1.2
98.97559	0.9
98.98470	15.5
103.05477	1.2
105.03403	0.6
105.07034	47.7
106.07384	2.1
107.04919	0.6
107.08600	11.2
109.10155	1.0
115.05445	1.1
117.07022	5.4
118.06584	0.8
118.07845	0.6
119.04986	2.9
119.08585	93.0
120.08921	2.6
121.10151	3.2
129.06999	3.3
130.06548	2.2
131.08559	11.2
131.71642	0.6
132.09329	0.8
133.06546	3.0
133.10135	100.0
134.10405	4.7
134.99614	0.8
135.11639	0.6
142.07780	2.2
145.10135	9.0
146.10899	2.5
147.04422	3.1
147.08107	3.7
147.09146	1.1
147.11691	19.2
149.92052	0.6
157.10158	3.0
158.06038	1.1
160.05203	1.8
160.08740	0.9
160.12491	3.9
162.85863	0.6
173.13286	2.7
175.03885	2.3
175.05217	0.7
175.07449	4.1
175.11221	11.1
175.14828	90.0
175.98515	0.7
176.07007	3.2
176.15182	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05511	4.0
57.07073	0.7
67.05505	1.7
68.86896	0.4
69.07074	11.8
69.44053	0.4
70.10104	1.0
76.84701	0.4
79.05510	2.8
80.52164	0.4
81.07063	4.7
83.08620	2.6
91.05487	8.5
93.07029	2.7
94.76026	0.4
95.08599	3.6
98.98470	1.8
105.07037	22.0
106.07384	0.6
107.08608	4.6
115.05465	1.0
117.07022	4.0
119.08587	58.7
120.08883	2.4
121.10165	1.9
129.07010	1.1
131.08585	4.9
132.09280	0.5
133.10136	61.7
134.10385	3.1
135.07925	0.8
135.11734	0.7
141.06992	0.5
142.07761	1.1
144.09358	1.2
145.10127	13.0
146.10809	1.0
147.11690	25.1
148.12006	1.0
157.04292	0.8
157.10121	1.4
158.10811	0.5
159.11711	4.7
160.12486	8.4
161.13290	2.2
165.89268	0.5
173.13272	1.4
175.11282	2.8
175.14830	100.0
176.15207	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.24197	0.3
53.03942	0.8
53.27019	0.3
55.00119	0.3
55.01875	0.6
55.05514	5.3
57.03424	0.4
57.07075	0.5
60.05654	2.9
65.03931	0.9
67.05508	3.2
69.03432	4.4
69.07072	8.2
70.06595	8.6
70.39819	0.5
70.40149	0.4
72.08170	0.5
74.08864	0.4
74.59926	0.3
77.03920	0.5
79.05495	4.3
81.07059	17.0
82.07398	0.6
83.08613	1.8
85.02891	1.2
91.05482	14.2
92.05811	0.6
93.07050	6.2
95.04985	0.9
95.08607	13.6
97.02919	1.7
98.97593	0.5
98.97705	0.5
98.98470	8.7
103.05447	1.5
103.63223	0.4
104.06260	0.5
105.07033	30.9
106.07375	1.2
107.08600	6.5
109.06450	0.3
109.10168	0.4
111.42599	0.3
115.05449	2.6
116.07073	2.2
117.05815	0.4
117.07039	2.4
118.07803	0.6
119.04900	2.0
119.08582	54.5
120.08849	2.1
121.10137	1.4
129.07010	1.9
130.06558	2.4
130.09760	0.9
131.08574	5.8
132.09308	0.3
133.06496	1.5
133.10130	100.0
134.10435	4.5
142.07784	2.5
145.10118	5.6
146.10890	1.2
147.04401	0.6
147.08075	1.9
147.11687	10.2
148.07521	0.5
148.12047	0.4
154.70367	0.4
157.10104	3.8
158.06041	1.3
158.09283	0.5
159.11783	0.4
160.05228	2.5
160.12486	2.8
173.13228	1.2
175.05925	0.7
175.07549	4.0
175.11153	8.8
175.14821	58.9
176.06975	1.8
176.15242	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	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01873	1.8
55.05515	5.9
57.07068	0.9
59.04995	1.2
60.05646	1.2
65.03960	0.9
67.05518	4.6
69.03423	2.4
69.07079	10.5
70.06588	4.6
71.28065	1.0
78.04655	0.8
79.05505	7.0
80.05032	0.9
81.03417	0.9
81.07061	15.9
83.04993	1.2
83.08608	2.5
91.05489	27.3
92.05792	1.5
93.07063	8.7
95.04977	1.3
95.08604	9.3
98.98473	32.5
103.05463	1.5
105.07039	67.2
106.07377	2.4
107.04900	0.8
107.08614	7.0
115.05463	4.1
116.06226	0.9
116.97234	1.7
116.98612	1.4
117.07034	6.4
119.04967	6.4
119.08589	77.4
120.08141	1.1
120.08923	3.2
121.06528	2.5
121.10126	1.6
128.06200	1.2
129.07025	6.5
130.06519	1.1
131.04970	0.9
131.08575	10.9
132.05699	2.0
133.06520	7.5
133.10138	100.0
134.10472	4.2
137.18486	0.8
142.07796	11.6
145.06499	3.5
145.10127	6.7
146.07234	1.2
146.10864	0.9
147.04440	1.9
147.08070	6.4
147.11687	17.1
148.07506	1.0
148.11984	0.9
148.96167	1.0
157.10118	12.9
158.06000	1.4
160.05275	3.9
160.08820	3.4
160.12474	2.9
173.13275	1.7
175.03928	2.9
175.07478	11.8
175.08705	1.8
175.11198	37.2
175.14828	65.5
176.07057	3.4
176.11662	1.7
176.15334	1.7
184.03731	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74773	0.7
70.06597	1.3
70.10132	1.5
70.10477	0.9
71.06936	1.1
71.98575	0.7
73.57605	0.7
128.22670	0.6
132.02119	100.0
133.02457	2.5
133.71780	0.7
150.03146	1.0
176.01096	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	176.0706
Annotation	2-Methylquinoline-3,4-diol
Peak:m/z	Relative Intensity
53.03961	0.3
60.05673	0.2
63.02402	0.2
66.14117	0.2
69.64828	0.7
69.65192	0.4
70.06606	0.5
71.06940	0.3
77.03940	0.2
78.04742	0.4
79.05505	0.7
81.03416	0.3
83.05019	0.2
84.65047	0.2
89.03916	2.2
90.04697	0.3
91.05500	1.1
93.07066	0.7
95.04942	0.3
98.97569	0.2
98.98473	1.4
103.05488	0.2
104.04409	0.2
104.05003	1.5
105.03407	0.5
105.07056	0.5
106.04173	0.6
106.06584	0.5
106.07272	0.2
107.08609	0.6
116.04984	2.7
117.03396	2.7
117.05768	7.4
117.07028	0.4
119.03699	1.0
119.08603	0.4
120.04484	0.3
120.08118	0.4
120.08919	0.6
121.06477	0.4
130.06535	6.1
131.06866	0.3
131.08562	0.3
133.05234	0.9
133.10100	0.2
134.03665	0.4
134.06032	1.8
134.10478	0.3
135.08067	0.2
144.04434	1.0
145.02850	3.7
145.05231	100.0
146.05562	4.4
148.03935	0.4
148.07599	0.8
149.02370	0.4
149.05980	1.3
156.99902	0.3
158.06009	2.8
159.08075	0.2
161.04709	3.7
162.05511	7.5
163.05846	0.4
164.00058	0.3
176.07063	48.2
177.05455	1.4
177.07384	2.7
177.08946	0.4
177.12753	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	176.0707
Annotation	Indole-3-acetate
Peak:m/z	Relative Intensity
51.02385	0.3
51.93956	0.2
53.03955	0.2
58.29655	0.2
60.05650	0.8
61.05355	0.2
70.06592	1.4
71.06929	1.7
71.39129	0.1
74.02428	0.2
74.17638	0.2
76.55676	0.2
77.03889	0.2
79.05502	0.2
79.84914	0.2
84.05327	0.2
86.09711	0.6
89.03921	1.3
91.05493	0.3
93.07046	0.3
94.06602	0.2
98.97578	0.6
98.98499	0.3
103.05482	2.4
104.04995	0.8
105.07032	0.3
106.04174	0.2
106.06561	0.6
115.05468	0.6
116.97226	0.7
116.98583	0.3
117.03376	1.8
117.07449	0.5
118.06550	0.8
119.07307	0.5
120.08107	13.7
121.08443	0.7
128.04973	0.2
128.97093	0.2
130.06531	100.0
131.06873	4.9
131.10118	0.2
132.04454	18.2
133.04788	0.9
134.03644	0.3
145.02849	1.9
146.06024	0.7
148.07570	17.4
149.06004	0.7
149.07916	0.6
152.96848	0.3
158.06017	21.6
159.06348	1.3
176.07074	5.6
176.12164	0.3
177.05342	0.8
184.75557	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	176.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79419	0.1
55.01887	0.3
60.05655	0.7
60.32065	0.1
61.05362	0.3
70.06595	1.5
70.33516	0.4
71.04360	0.1
71.06934	2.1
74.02432	0.2
77.03947	0.3
78.04723	0.3
83.05023	0.2
86.09697	0.8
89.03915	1.3
91.05482	0.6
93.07059	0.6
94.06543	0.2
95.63036	0.2
98.97585	0.6
98.98485	0.5
99.03825	0.1
103.05471	1.8
104.05014	1.0
105.07053	0.3
106.04184	0.3
106.06556	0.5
115.05437	0.4
116.07095	0.4
116.97215	0.7
116.98629	0.5
117.03374	1.9
117.07423	0.6
118.06573	1.0
119.07321	0.5
120.08109	13.6
121.08448	0.6
128.04945	0.3
130.06532	100.0
131.04880	0.2
131.06879	4.1
131.08473	0.3
132.04457	19.5
133.04730	0.9
134.03609	0.4
135.04343	0.2
145.02834	2.3
146.06023	0.6
148.07578	18.1
149.02348	0.2
149.06058	0.8
149.07892	0.6
152.96918	0.3
158.06017	24.4
159.06369	1.4
175.98514	0.3
176.07063	5.7
176.12201	0.4
177.05434	0.8
177.07512	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	176.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03951	0.8
55.01860	0.1
55.05503	0.2
56.05043	0.9
63.02385	0.2
69.33452	0.9
72.04509	1.0
77.03939	0.4
78.04718	0.5
79.05498	5.9
81.07072	0.3
84.04500	0.5
89.03922	4.9
91.05485	9.9
92.05830	0.3
93.07041	0.6
95.04985	1.2
95.32610	0.2
98.97585	0.5
98.98488	0.7
103.05480	4.5
105.07037	100.0
106.04184	0.8
106.07372	3.1
107.08579	0.3
116.97213	0.2
116.98674	0.2
117.03387	8.5
117.07021	0.2
118.06554	0.4
119.08588	0.2
120.08911	0.4
121.06497	0.7
121.10130	0.4
124.13876	0.1
129.06982	0.3
131.08580	0.6
133.10158	0.4
134.03630	0.7
134.10454	0.4
135.04391	0.7
145.02856	10.8
149.02380	0.2
149.05994	2.7
158.09650	3.6
159.09915	0.2
159.11670	0.3
175.98596	0.2
176.10712	14.5
177.05478	3.2
177.11012	0.6
177.12730	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.87359	0.3
52.03212	0.4
52.46896	0.3
53.03952	0.6
63.02386	1.4
64.72823	0.3
65.03940	0.5
70.64994	0.3
78.04716	4.0
79.05491	0.9
89.03922	49.2
90.04275	1.8
91.05487	3.9
93.07042	0.8
95.04967	0.5
98.23373	1.2
98.98473	1.0
103.05470	2.0
105.03403	0.3
105.04533	0.4
105.07037	0.8
106.04173	4.3
107.04972	0.3
107.08617	0.4
116.11070	0.3
117.03383	81.7
118.03692	2.5
119.04946	0.6
121.06496	1.5
121.10094	0.4
124.05235	1.0
129.04503	0.6
134.03633	9.8
135.04433	6.2
145.02849	100.0
146.03185	3.2
147.04457	0.4
148.92509	0.3
149.05986	24.8
150.06346	1.2
158.06004	0.8
162.03102	1.5
163.03857	1.8
177.05472	24.4
177.12523	0.4
178.05844	0.9
178.12216	0.4
186.05533	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	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01879	0.7
55.05503	0.4
63.02385	1.6
65.03931	0.6
67.05512	0.6
69.07067	0.8
69.67702	0.6
69.68093	0.9
70.06577	0.4
78.04721	4.0
79.05495	1.8
81.03410	0.5
81.07062	1.2
83.08617	0.4
88.16090	0.4
89.03922	49.5
90.04249	1.4
91.05486	5.4
93.07056	2.6
95.04990	1.5
95.08589	0.5
95.56426	0.3
98.98474	3.0
103.05468	3.0
105.03418	0.6
105.04533	1.0
105.07048	2.2
106.04183	7.3
107.04958	0.5
107.08591	1.7
109.10118	0.5
116.06207	0.4
116.58714	0.4
117.03386	88.7
117.07019	1.1
118.03703	2.9
119.04902	0.8
119.08581	0.6
121.06499	2.8
121.10178	1.9
124.05209	1.2
128.30820	0.3
129.04471	0.5
131.04921	0.5
131.08568	1.9
133.10132	0.7
134.03650	10.5
135.04439	6.4
135.07999	0.4
135.11714	0.7
145.02855	100.0
146.03201	4.2
147.04381	0.5
149.02353	0.7
149.05989	29.4
149.13309	0.5
150.06284	1.1
158.06010	1.0
159.08078	0.5
159.11687	0.6
160.07628	0.4
160.74332	0.4
162.03046	1.9
163.03885	1.6
177.05473	26.0
177.08987	3.3
177.12717	2.2
177.16406	1.5
178.05862	0.8
186.05534	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	1.0
55.01893	0.4
63.02352	1.9
65.03941	0.8
65.81695	0.4
67.05518	0.4
69.07093	0.4
77.03916	0.5
78.04718	4.4
78.05127	0.7
79.05504	1.7
81.07070	1.1
83.08627	0.7
88.17768	0.4
89.03925	55.6
90.04266	1.3
91.05484	5.7
92.55586	0.4
93.07050	2.5
95.04971	1.4
95.08611	1.3
98.97568	0.5
98.98475	3.2
103.05486	3.1
105.04517	0.6
105.07052	1.5
106.04192	7.2
107.04956	0.5
107.08607	2.4
109.46154	0.4
117.03387	88.4
118.03711	2.1
119.04948	1.1
121.06506	2.9
121.10148	2.7
124.05265	0.9
127.59949	0.4
129.04472	0.7
131.04921	1.1
131.08578	1.2
134.03653	11.9
135.04446	6.3
145.02858	100.0
146.03191	3.2
149.02344	0.9
149.05991	27.0
150.06305	0.8
158.05977	1.0
159.07915	0.4
162.03218	2.2
163.03943	2.3
177.05467	26.8
177.08952	2.5
177.12723	2.4
177.16440	1.3
178.05836	1.1
186.05530	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01596	0.4
53.03941	0.5
63.02351	1.7
65.03938	0.4
65.51430	0.4
70.32935	0.7
70.33287	1.0
78.04713	4.2
79.05466	0.5
89.03918	54.0
90.04265	1.8
91.05479	3.8
92.11255	0.3
93.07037	0.6
95.04956	0.5
103.05470	1.9
105.03384	0.4
106.04170	4.0
117.03380	85.1
118.03690	2.8
119.04898	0.8
121.06484	0.9
129.04439	0.6
132.04425	0.5
134.03635	12.7
135.04434	6.6
145.02846	100.0
146.03166	2.7
149.05977	28.3
150.06319	1.0
158.05963	0.4
162.03114	3.3
163.03886	6.6
177.05472	33.0
178.05765	0.6
186.05502	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	1.4
54.36307	0.4
55.01857	0.7
56.96570	0.5
62.03373	0.4
63.02390	1.7
65.03950	0.7
69.07090	0.7
78.04708	4.9
79.05487	2.5
80.05028	0.6
81.07065	1.3
89.03921	52.5
90.04240	1.7
91.05480	8.2
91.34129	0.4
93.07037	4.1
95.04987	1.6
95.08630	0.9
98.98469	5.3
103.05467	3.0
103.06056	0.4
105.03399	0.9
105.04516	0.5
105.07042	2.2
106.04186	7.5
107.04979	0.7
107.08593	2.5
109.02917	0.5
117.03384	87.5
117.07003	2.3
118.03722	2.4
118.96754	0.8
119.04962	0.8
119.08551	1.0
121.06538	3.4
121.10150	1.7
123.75278	0.5
124.05223	1.0
129.04474	0.6
131.04976	1.3
131.08568	2.6
132.32661	0.4
133.10123	1.0
134.03638	10.6
135.04427	6.7
135.08069	0.9
135.11650	0.8
145.02852	100.0
145.06477	1.5
146.03168	3.3
147.04364	0.6
149.02348	1.5
149.05986	36.6
149.09618	0.8
150.06343	1.2
159.08035	1.2
159.11699	1.4
162.03139	2.3
162.06757	0.7
163.03889	2.1
177.05466	29.3
177.08983	5.4
177.12688	3.1
177.16362	1.3
178.05771	0.5
178.08578	0.7
179.75035	0.5
186.05492	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03952	1.0
55.01896	0.5
55.05519	2.4
55.62180	0.4
63.02395	1.7
65.03952	0.8
67.05515	1.4
69.07074	3.1
69.25248	2.1
70.17948	0.4
70.95006	0.4
77.94261	0.4
78.04716	4.0
79.05503	3.9
81.07057	3.9
83.08612	1.4
83.31601	0.4
85.38602	0.4
89.03922	49.4
90.04246	1.3
91.05488	7.1
91.06028	0.8
93.07047	7.5
95.04970	1.8
95.05538	0.4
95.08617	5.2
97.26234	0.4
98.98467	5.9
99.85044	0.4
103.05476	2.3
105.03391	0.7
105.07033	3.7
106.04185	4.1
107.04969	0.7
107.08594	7.7
108.08926	0.5
109.10155	0.9
115.05483	0.6
115.93761	0.4
117.03384	79.2
117.07035	1.3
118.03730	2.2
119.08592	1.5
121.06496	2.9
121.10148	10.3
124.05204	1.3
129.04475	0.5
131.04990	0.6
131.08542	3.2
133.10123	1.1
134.03645	8.7
135.04436	6.4
135.05434	0.8
135.08057	0.9
135.11703	2.0
145.02852	100.0
146.03195	3.2
147.04419	0.5
149.02351	1.8
149.05988	27.8
149.09613	1.6
149.13268	1.2
150.06474	0.5
158.06030	1.1
159.08014	1.2
159.11668	2.0
162.03148	1.3
163.03894	1.9
177.05469	26.2
177.08893	2.6
177.10414	0.5
177.12762	4.1
177.16386	5.6
178.05840	0.5
186.05486	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03940	0.9
55.01870	0.4
63.02386	1.4
77.03945	0.4
78.04713	3.4
79.05489	0.6
89.03918	53.2
90.04250	1.4
91.05482	4.0
93.07038	0.6
95.04953	0.8
98.22573	0.7
98.98457	0.8
103.05450	1.8
105.03410	0.8
105.04541	0.4
106.04170	4.6
117.03379	83.3
118.03696	2.8
119.04964	0.5
121.06515	1.4
124.05237	0.4
125.42323	0.3
131.04936	0.6
131.08551	0.6
132.04446	0.5
134.03644	12.1
135.04431	6.7
145.02846	100.0
146.03178	3.1
147.04465	0.4
149.05983	29.0
150.06337	1.3
151.44807	0.4
158.06015	0.6
159.04425	0.4
162.03130	2.1
163.03915	4.1
177.05470	29.9
178.05888	0.7
186.05504	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03940	0.9
54.19243	0.3
55.01868	0.6
55.05514	0.6
62.01598	0.4
63.02372	1.5
64.29250	0.3
65.03949	0.4
67.05508	0.7
69.03440	0.5
69.07076	0.8
69.13167	0.7
69.13578	1.9
77.03907	0.6
78.04719	4.3
79.05491	2.0
81.03439	0.4
81.07056	1.6
83.08600	0.4
86.00572	0.3
87.97610	0.3
89.03922	52.2
90.04258	1.1
91.05488	6.4
92.05769	0.4
93.07048	4.1
95.04980	1.3
95.08605	1.3
96.96226	0.4
98.98473	2.7
103.05458	2.0
105.03372	0.9
105.04478	0.7
105.07021	2.3
106.04178	5.2
106.07348	0.4
107.04979	0.9
107.08601	3.0
109.02861	0.6
109.06506	0.6
109.10152	0.4
115.05460	0.6
116.06227	0.6
117.03385	85.5
117.07016	3.1
118.03681	2.7
118.96696	0.3
119.04949	1.1
119.08552	1.1
121.02844	0.4
121.06518	3.1
121.10133	2.7
124.05202	1.2
129.04436	0.3
129.06973	0.4
131.04913	0.5
131.08578	2.5
133.06551	0.9
133.10100	0.9
134.03645	9.5
134.07216	0.6
135.04446	6.4
135.08058	0.8
135.11697	1.2
144.05705	0.5
145.02853	100.0
146.03197	3.1
147.04388	0.4
149.02377	0.7
149.05989	25.4
149.09587	1.5
149.13228	0.9
150.06328	0.9
158.06015	0.7
158.26457	0.3
159.04491	0.3
159.08031	0.8
159.11725	1.4
162.03104	1.2
162.06749	2.3
163.03842	1.6
164.14017	0.4
177.05481	26.3
177.09097	16.8
177.12708	3.3
177.16402	1.7
178.05890	0.6
178.09364	0.4
186.05524	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02390	0.6
53.03957	1.1
55.05518	0.6
62.01604	0.4
63.02383	1.6
63.32501	0.4
64.37852	0.4
65.03944	0.4
67.05502	0.4
69.07086	0.4
69.81248	1.5
70.31797	0.4
78.04711	4.1
79.05491	1.2
81.07062	1.1
89.03922	53.2
90.04254	1.7
91.05481	6.1
93.07055	2.2
95.04980	1.1
95.08587	0.6
96.18166	0.4
98.98467	3.8
103.05460	1.9
105.03377	0.7
105.07043	1.2
105.54945	0.4
106.04169	4.2
107.08596	1.7
110.20485	0.4
117.03384	85.1
118.03709	2.8
119.04922	0.5
121.06493	1.9
121.10155	1.9
124.05215	1.3
131.08572	1.4
132.04381	0.5
134.03636	10.3
135.04413	6.4
135.08002	0.6
135.11668	0.5
145.02853	100.0
146.03159	3.8
149.05988	26.8
150.06313	0.8
158.06003	1.2
159.04404	0.4
159.05643	0.4
159.08055	0.5
159.11717	0.9
162.03119	2.1
163.03903	3.7
172.46364	0.4
177.05475	27.1
177.08902	0.8
177.12785	1.9
177.14310	0.4
177.16414	0.7
178.05858	1.0
183.64064	0.4
186.05481	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01614	0.5
53.03946	0.9
63.02364	1.1
69.19869	1.6
69.20303	2.4
78.04715	3.9
79.05516	0.9
87.04476	1.6
89.03918	54.9
90.04238	1.0
91.05478	3.3
93.07034	1.1
95.04960	1.4
98.98486	0.8
103.05452	1.9
106.04174	4.7
106.07635	0.7
107.05000	0.7
117.03379	98.8
118.03709	2.0
119.04957	0.6
121.06512	1.5
122.69798	0.5
124.05167	0.9
129.04507	0.9
131.04927	0.6
131.06773	0.8
134.03630	10.3
135.04420	5.4
145.02846	100.0
146.03151	3.9
149.05977	27.1
150.06322	1.4
162.03119	1.4
163.03874	2.2
177.05455	19.3
177.08919	0.6
186.05534	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02379	0.5
53.03946	0.9
55.01865	0.4
61.81705	0.3
63.02375	1.8
63.02677	0.4
71.48906	0.3
78.04707	3.5
79.05491	0.8
89.03918	56.1
90.04250	1.3
91.05474	3.7
93.07067	0.8
95.04945	0.8
98.97578	1.5
98.98451	1.7
103.05457	2.1
105.03397	0.8
105.04504	0.4
105.07018	0.4
106.04186	4.0
106.04858	0.6
106.91069	0.4
116.98643	0.9
117.03378	85.9
118.03707	2.0
119.04913	1.0
121.06505	0.7
124.05202	0.6
131.08501	0.4
134.03639	10.7
134.04619	0.8
134.99669	0.5
135.04424	6.5
136.07631	0.6
145.02844	100.0
146.03191	3.4
147.04449	0.5
149.02316	1.0
149.05978	27.5
150.06339	1.1
159.08070	0.4
160.07520	0.4
162.03119	1.4
163.03888	3.6
166.54468	0.3
177.05470	28.2
178.05908	0.5
186.05556	0.9
188.62508	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03918	0.9
55.01859	0.6
55.05482	0.9
62.01595	0.3
63.02365	1.0
65.03918	0.4
67.05489	0.6
69.07033	0.6
71.28455	0.3
78.04713	2.7
79.05494	2.5
81.03413	0.5
81.07059	1.7
83.04964	0.4
83.08596	0.8
88.02217	0.4
89.03919	31.0
90.04237	1.0
91.05480	8.8
92.15010	0.3
93.07044	4.8
95.04980	1.5
95.08602	2.1
98.98463	2.0
103.05467	2.2
105.03325	0.6
105.07011	3.3
106.03548	0.4
106.04178	4.3
107.04960	1.0
107.08601	3.0
109.02886	4.6
109.06503	0.9
115.05452	3.8
116.06240	3.5
117.03381	51.5
117.07024	12.2
118.03704	2.6
118.07344	0.4
119.04956	2.2
119.08591	1.1
120.05717	0.3
120.78277	0.3
121.06522	4.9
121.10136	3.7
124.05228	0.7
129.07021	0.6
131.04955	0.7
131.08572	2.4
133.06494	3.4
133.07462	0.5
133.10136	0.9
134.03644	6.5
134.07281	4.5
135.04454	3.6
135.08060	2.4
135.11694	0.9
144.05740	2.2
145.02846	60.8
145.06525	2.0
146.03198	3.0
147.04463	0.9
147.08029	0.4
149.02386	0.7
149.05984	18.2
149.09610	2.0
149.13196	0.5
158.06061	0.8
159.08080	1.0
159.11688	1.7
161.05992	1.6
162.03134	0.9
162.06766	13.6
163.03909	1.4
163.07101	0.6
177.05525	17.1
177.09106	100.0
177.12766	3.0
177.16420	1.4
178.05963	0.6
178.09502	5.3
186.05565	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	177.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
53.83569	0.2
55.01868	0.3
56.96561	0.3
63.86323	0.2
69.07063	0.2
69.22319	0.1
70.44587	0.2
70.44903	0.3
70.47697	0.2
72.34682	0.2
78.04693	0.8
79.05488	0.7
81.07073	0.2
89.03922	3.1
91.05487	5.2
93.07076	0.9
93.07553	0.2
95.04981	0.3
95.08586	0.3
98.98460	0.8
103.05473	0.7
105.03403	0.3
105.07041	1.3
106.04192	1.3
106.07808	0.5
107.04999	0.2
107.08597	0.3
109.06533	0.3
115.05457	4.5
116.06253	3.8
117.03387	5.2
117.07022	12.5
118.07383	0.3
119.04952	1.9
119.08611	0.4
121.06520	2.7
121.10141	0.5
128.20221	0.2
129.07004	0.2
131.05006	0.2
131.08574	0.8
133.06485	3.5
133.07420	0.3
134.03651	0.9
134.07280	4.8
135.04413	0.5
135.08076	1.9
144.05693	2.2
145.02846	5.4
145.06490	2.3
146.03198	0.2
146.07236	0.2
147.04413	0.8
147.08034	0.3
149.02374	0.3
149.05989	2.8
149.09607	0.9
155.05992	0.3
159.08022	0.3
161.05966	1.6
162.06769	14.5
163.03880	0.2
163.07120	0.6
175.07541	0.5
177.05891	2.4
177.09116	100.0
178.09465	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03957	0.3
53.83569	0.2
55.01868	0.3
56.96561	0.3
63.86323	0.2
69.07063	0.2
69.22319	0.1
70.44587	0.2
70.44903	0.3
70.47697	0.2
72.34682	0.2
78.04693	0.8
79.05488	0.7
81.07073	0.2
89.03922	3.1
91.05487	5.2
93.07076	0.9
93.07553	0.2
95.04981	0.3
95.08586	0.3
98.98460	0.8
103.05473	0.7
105.03403	0.3
105.07041	1.3
106.04192	1.3
106.07808	0.5
107.04999	0.2
107.08597	0.3
109.06533	0.3
115.05457	4.5
116.06253	3.8
117.03387	5.2
117.07022	12.5
118.07383	0.3
119.04952	1.9
119.08611	0.4
121.06520	2.7
121.10141	0.5
128.20221	0.2
129.07004	0.2
131.05006	0.2
131.08574	0.8
133.06485	3.5
133.07420	0.3
134.03651	0.9
134.07280	4.8
135.04413	0.5
135.08076	1.9
144.05693	2.2
145.02846	5.4
145.06490	2.3
146.03198	0.2
146.07236	0.2
147.04413	0.8
147.08034	0.3
149.02374	0.3
149.05989	2.8
149.09607	0.9
155.05992	0.3
159.08022	0.3
161.05966	1.6
162.06769	14.5
163.03880	0.2
163.07120	0.6
175.07541	0.5
177.05891	2.4
177.09116	100.0
178.09465	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	177.0912
Annotation	Cinnamyl acetate
Peak:m/z	Relative Intensity
55.00419	0.3
56.46489	0.4
56.96574	1.6
67.05509	0.5
79.05496	0.8
81.07049	1.0
81.49875	0.4
88.02248	0.7
89.03945	1.1
91.05484	5.5
93.07047	1.3
95.08608	0.8
98.98453	4.0
103.05489	0.5
105.07032	1.2
107.08597	1.5
115.05461	10.8
115.06265	0.7
117.03367	1.4
117.07019	100.0
118.07327	3.1
119.04935	1.6
119.08585	1.7
121.06525	1.0
121.10145	1.1
131.08554	1.2
132.05716	0.6
134.07266	1.4
135.08014	1.2
145.02855	1.5
145.06482	5.3
147.04395	1.4
147.08000	2.1
149.02348	1.0
149.09618	36.1
150.09966	1.7
159.08131	0.6
159.11671	0.4
162.06789	2.8
164.13971	0.3
172.94069	0.6
172.95422	0.8
177.05388	0.5
177.06660	0.9
177.09088	17.0
177.12708	1.4
177.16412	0.6
178.06978	0.5
178.09592	0.5
178.12247	0.8
190.95271	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03938	0.4
55.01876	0.3
55.05518	0.2
56.94661	0.1
59.28306	0.1
62.16828	0.1
65.03948	0.3
67.05502	0.3
69.03429	0.3
69.07052	0.2
70.06631	0.2
77.38006	0.1
78.04709	1.0
79.05482	0.9
81.07097	0.3
88.02209	0.1
89.03352	0.2
89.03921	5.7
91.05482	6.0
92.06284	0.3
93.07053	1.5
95.04946	0.5
95.08620	0.2
98.97564	0.2
98.98467	1.6
103.04984	0.1
103.05486	1.4
105.03410	0.3
105.07030	1.5
106.04175	1.4
106.07819	0.5
107.04967	0.2
107.08616	0.7
109.06520	0.3
115.05460	4.5
115.06262	0.2
116.06258	3.8
117.02485	0.2
117.03386	9.4
117.07025	13.5
118.03685	0.3
118.07368	0.4
118.96748	0.3
119.04930	1.5
119.08585	0.5
120.05739	0.2
121.02882	0.2
121.06510	3.0
121.10127	0.7
122.09621	0.1
128.06154	0.1
129.06961	0.2
131.04961	0.4
131.08571	0.9
132.05678	0.1
133.06496	3.3
133.10100	0.2
134.03658	1.1
134.07289	4.2
134.99571	0.2
135.04445	1.1
135.08087	2.2
136.08447	0.2
144.05716	2.5
145.02850	11.8
145.06506	2.4
146.03223	0.5
146.07230	0.2
147.04401	1.0
147.08005	0.5
148.08818	0.2
149.02332	0.6
149.05989	4.4
149.09621	1.4
149.13333	0.1
149.54414	0.2
150.06355	0.2
159.04449	0.3
159.08061	0.6
159.11737	0.3
160.07559	0.2
161.05986	1.7
162.03108	0.5
162.06769	14.5
163.03882	0.3
163.07117	0.6
175.07533	0.6
177.05753	4.3
177.09111	100.0
178.04956	0.2
178.09460	4.7
186.05530	0.4
196.59007	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	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02365	1.2
51.61949	1.0
53.03946	7.2
53.71897	0.9
55.01878	5.1
55.05515	26.0
56.96567	1.1
57.03439	9.2
57.07061	3.5
58.14668	0.9
59.04998	1.1
65.03935	3.1
67.05183	1.4
67.05509	18.2
69.03436	7.9
69.07071	31.3
71.04996	7.3
77.03901	1.2
78.04724	1.5
79.05495	62.2
80.05029	0.9
81.03408	2.6
81.07063	43.1
82.07375	1.2
83.04997	5.9
83.08624	7.8
85.06551	2.9
88.02229	2.1
89.03923	24.1
91.05488	56.4
92.05823	1.8
93.07049	100.0
94.07365	2.3
95.04961	13.3
95.08610	19.3
97.06549	4.7
98.98466	10.4
103.05479	6.0
105.03323	1.0
105.04552	2.6
105.07034	50.8
106.04185	4.1
106.06605	1.0
106.07402	1.5
107.04962	14.9
107.08600	66.0
108.08923	1.7
109.06528	16.3
109.10162	2.9
115.05447	5.9
116.06219	1.6
117.03389	40.6
117.04240	2.1
117.07021	37.4
118.03683	1.8
119.08591	22.5
121.06511	31.0
121.10141	24.7
122.10490	1.3
122.98669	1.1
123.08073	3.1
129.07002	11.6
130.07806	7.5
131.08578	43.8
132.08914	2.1
133.06496	11.8
133.10141	15.3
134.03609	5.4
135.04419	3.1
135.08061	25.4
135.11697	12.6
142.07687	1.0
144.09357	14.1
145.02856	46.0
146.03185	2.5
147.08073	1.7
147.11732	2.0
148.08852	3.2
149.02316	2.2
149.05997	13.8
149.09663	4.5
149.13263	19.5
151.07556	4.2
151.08803	0.9
157.10107	2.1
159.08125	1.7
159.11702	45.6
160.11993	1.3
162.03143	1.2
167.63994	1.1
177.05458	11.9
177.12753	86.6
177.16325	3.1
178.05006	1.6
178.08684	1.3
178.12160	12.2
180.09680	1.0
186.05528	1.3
190.95378	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	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63742	0.6
51.02372	0.8
53.03934	2.5
55.01878	6.1
55.05514	4.3
55.42400	0.6
56.96565	1.0
57.03437	1.7
65.03922	1.2
67.05507	23.1
69.03437	1.5
69.06795	0.5
69.07077	6.8
71.04979	0.6
71.19629	0.9
77.03919	0.6
79.05497	28.5
80.05790	0.8
81.03419	4.7
81.07059	32.7
82.07391	0.9
83.04996	3.5
83.08640	3.8
85.06544	1.1
88.02227	1.3
89.03917	2.5
91.05486	31.4
92.05829	0.8
93.07050	47.7
95.04975	8.1
95.08608	7.8
97.06525	8.0
98.98460	3.4
103.05481	1.3
105.04506	0.9
105.07037	24.2
105.07756	1.2
107.04933	3.2
107.08603	16.2
108.08897	0.7
109.06537	4.9
109.10175	0.7
111.08092	3.0
115.05470	2.2
117.03394	5.2
117.07023	27.5
119.08583	6.4
121.06503	4.1
121.10154	10.0
123.08093	1.1
124.66116	0.6
125.62866	0.6
129.06989	1.4
131.08574	25.0
132.04404	0.6
133.06505	4.0
133.10139	29.1
134.03635	0.8
134.10440	0.9
135.04480	0.9
135.08067	11.5
135.11697	9.3
144.09363	2.4
145.02837	6.3
147.11635	0.7
149.02351	1.9
149.05989	2.0
149.09612	7.2
149.13258	14.8
157.10120	0.9
159.11702	39.7
160.12086	1.9
161.97162	0.6
165.35490	0.6
171.77200	0.7
172.85132	0.6
177.05473	1.3
177.09331	3.8
177.12753	100.0
178.04942	0.7
178.07114	0.7
178.12180	2.6
178.13142	2.8
188.95912	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03951	1.4
53.20388	0.7
55.05515	10.0
57.07082	1.9
57.32325	0.6
62.82810	0.6
66.50606	0.6
67.05510	5.4
69.07072	25.7
69.48312	1.0
69.48685	1.1
77.03958	0.5
79.05496	14.4
80.05807	0.7
81.07066	14.3
83.08622	13.1
89.03927	2.4
91.05483	10.7
91.06023	1.1
93.07048	34.2
94.07352	0.7
95.04955	0.9
95.08609	35.4
96.08916	0.7
97.10181	3.1
98.23313	1.3
98.98474	0.6
103.05492	0.9
105.04555	0.7
105.06389	0.8
105.07039	10.4
106.32912	0.6
107.08601	65.1
107.77410	0.5
107.82391	0.5
108.08926	2.0
109.06542	1.3
109.09451	1.0
109.10164	12.6
110.10467	0.6
111.89583	0.5
117.03378	3.9
117.07008	0.7
119.06086	0.9
119.08572	2.2
121.06528	1.7
121.10146	100.0
122.10458	2.8
123.08067	1.4
131.08589	1.6
133.07599	0.9
133.10149	5.8
135.11700	16.7
145.02856	4.7
149.05997	1.5
149.09671	1.1
149.13234	5.7
159.11725	1.1
172.98308	0.6
177.05505	1.0
177.09108	1.7
177.13005	2.9
177.16389	51.5
178.16736	3.6
179.06282	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	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
53.03941	1.5
55.01874	1.0
59.93089	1.2
60.93292	0.8
64.07928	0.8
65.03939	1.4
65.15507	0.7
68.99785	1.9
69.03413	1.3
70.52946	1.1
70.53267	1.0
79.05483	1.8
79.21819	0.8
80.05016	26.9
81.03390	2.1
88.02206	2.0
89.03909	3.2
90.04251	7.1
90.04741	1.2
91.05477	2.7
92.04993	1.1
93.07024	1.3
94.06529	0.9
95.04942	2.0
96.04503	0.9
104.04996	53.8
105.03366	2.1
105.05314	1.4
105.07027	7.2
108.04481	57.9
109.02869	0.8
109.04825	1.4
109.06475	1.1
110.06051	2.2
117.03367	2.6
118.03708	9.6
118.06462	1.0
118.42628	0.8
118.96754	2.9
119.04919	2.5
119.08572	2.0
120.08076	0.9
121.06445	1.2
122.06033	2.0
123.04388	2.9
123.08046	1.2
132.04456	62.8
132.08134	1.8
133.02844	5.7
133.04784	1.7
133.06467	1.2
133.10071	0.9
133.99115	1.2
134.06073	1.0
135.04359	1.1
136.03940	86.3
137.04292	1.9
137.09622	1.1
142.72449	0.8
145.02864	1.1
146.03177	13.5
147.04405	1.6
150.05327	1.8
150.06322	3.2
150.09082	1.6
151.03845	1.2
154.04919	1.0
154.96404	1.1
160.03941	64.0
161.04263	2.4
161.09567	1.2
163.06177	0.9
178.04965	100.0
178.08559	4.1
178.12233	2.5
179.03354	10.5
179.05238	3.2
179.06801	1.6
188.20113	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	178.0864
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
54.58166	0.3
55.01864	0.3
56.20959	0.3
56.48951	0.3
57.11742	0.3
57.51907	0.2
69.35004	0.6
69.35401	1.3
70.21048	0.3
70.59140	0.3
79.05495	0.8
88.02212	0.3
89.03925	0.4
90.04269	0.6
91.05495	2.2
93.36472	0.3
95.04974	0.3
104.05009	0.5
104.30795	0.3
105.07043	1.0
105.62582	0.3
106.06554	0.7
106.38526	0.3
107.05017	0.4
109.06474	0.4
115.05463	6.5
116.04951	0.8
116.05732	0.3
117.03400	0.9
117.05774	3.6
118.04275	1.8
118.06556	9.0
118.96764	0.5
119.04963	1.7
119.06924	0.4
120.08134	2.0
123.04408	1.3
130.06494	0.6
131.07298	0.3
132.04460	24.4
132.08092	42.0
133.02850	0.4
133.04774	0.8
133.06462	0.3
133.08482	1.3
133.10165	0.4
135.04391	0.4
137.06039	0.3
140.04915	1.3
142.06526	12.2
143.06934	0.6
146.03658	4.9
147.04436	1.3
150.06311	0.7
150.09146	0.5
151.03934	3.3
151.05035	0.4
160.07582	100.0
161.05951	0.4
161.07945	4.1
161.36337	0.3
163.03809	1.3
178.04936	0.6
178.06218	2.1
178.08612	7.2
179.03423	3.2
179.06937	1.3
179.08553	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	178.0864
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
53.93886	0.1
63.02382	0.1
64.13290	0.2
66.91875	0.1
70.89653	0.4
77.03951	0.1
79.05511	0.2
88.02214	0.3
88.74381	0.1
90.94324	0.1
91.05503	0.9
93.05746	0.1
93.07088	0.2
95.04981	0.3
104.04974	0.9
105.03413	0.5
105.07043	0.8
106.06534	0.7
115.05458	7.0
115.97231	0.2
116.04970	0.7
116.05692	0.2
117.05766	3.9
117.06999	0.2
118.03738	0.2
118.06551	10.1
119.04967	0.4
119.06869	0.3
120.08104	1.8
123.04424	0.3
130.06485	0.4
131.07277	0.2
132.04460	26.3
132.08092	43.6
133.04784	1.0
133.06465	0.4
133.08456	1.5
133.10060	0.2
140.04945	1.3
142.06522	13.9
143.06850	0.4
146.03204	0.3
147.04433	0.3
150.09161	0.6
151.03850	0.2
160.07581	100.0
161.07932	5.0
161.09329	0.2
170.66357	0.2
178.05043	0.5
178.08621	6.9
179.03378	0.5
179.06992	0.3
179.08871	0.3
179.10580	0.2
186.39531	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	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71085	0.9
59.93104	1.2
67.05502	2.0
69.37424	5.1
69.49973	1.0
81.07038	2.6
82.01453	3.6
82.99840	1.1
84.08152	1.4
91.05485	1.2
91.53211	1.0
91.71131	1.0
93.07052	1.4
95.04985	1.7
95.08611	1.5
100.02490	19.7
101.00887	20.5
101.01563	1.0
102.00993	1.2
105.07024	2.7
106.06598	1.4
109.06523	1.0
109.61186	1.0
110.06087	1.3
118.03542	10.9
119.01923	100.0
119.96938	1.0
120.02031	5.8
120.96510	1.2
121.06475	1.6
123.04424	2.0
124.03934	1.0
133.03476	3.5
133.10130	1.8
134.05986	2.2
137.02963	37.1
137.05949	1.4
138.03046	2.3
142.03510	1.6
151.04498	2.8
151.54715	1.0
152.07091	1.2
154.06337	1.2
156.05067	3.4
156.97493	2.2
161.02989	16.1
161.04640	1.7
161.09641	1.9
163.07581	0.9
174.06117	2.3
174.98592	2.2
179.00650	1.0
179.04062	26.0
179.06442	2.0
179.08316	1.9
179.10637	2.9
179.14264	1.4
179.97931	2.6
180.04149	0.9
180.06613	2.5
197.99167	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	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03952	2.1
55.01878	0.4
59.69660	0.2
59.89810	0.2
66.04745	0.4
69.79501	0.7
75.66559	0.2
77.03899	1.2
79.05495	4.7
81.07032	1.2
90.04683	0.3
91.05485	2.3
94.04193	15.5
95.04540	0.3
95.04993	2.2
103.05466	4.5
103.87305	0.2
104.05786	0.3
105.04522	1.0
105.07037	6.4
106.07377	0.2
107.04932	1.5
108.05748	0.8
109.06522	57.1
110.06857	1.9
117.49919	0.2
118.04156	2.3
119.04951	0.6
120.05751	0.8
121.06526	0.9
123.08057	1.4
133.06496	34.0
134.06767	1.1
135.04427	0.3
135.08037	2.5
137.05981	100.0
138.06308	3.5
147.04524	0.3
147.06726	0.2
151.03951	0.3
151.07568	1.1
161.05981	7.4
162.06300	0.4
163.92470	0.3
179.03506	0.2
179.07021	1.9
195.99232	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	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
50.23854	0.2
53.03948	2.3
55.01856	0.4
65.03925	0.3
66.04726	0.3
66.54751	0.2
70.18819	0.5
70.19191	0.5
72.07512	0.2
77.03932	0.9
77.98256	0.2
79.05495	5.4
81.07049	1.0
90.04726	0.4
91.05484	2.1
94.04189	17.3
95.03633	0.2
95.05000	2.2
103.05468	4.4
104.05820	0.3
105.04513	1.2
105.07030	6.7
107.04940	1.9
108.05727	1.0
109.06521	61.2
110.06834	1.3
115.05464	0.3
118.04195	3.0
119.04915	0.5
120.05727	0.9
121.06514	0.7
123.08084	1.7
133.06493	34.6
134.06746	1.2
135.08058	3.2
137.05978	100.0
138.06325	3.3
151.07561	1.9
161.05986	7.5
179.07008	2.5
180.08784	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	179.0703
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
51.02378	0.6
53.03947	4.9
55.01870	0.4
57.03438	16.7
58.99614	0.3
67.05499	0.6
69.44357	1.7
76.76369	0.3
77.03920	1.6
79.05494	22.7
80.05839	0.5
81.03432	0.8
82.38327	0.4
84.31862	0.2
91.05488	1.2
95.04964	6.0
105.03394	100.0
105.04549	2.9
106.03723	2.6
119.04103	0.3
119.04944	1.2
121.06516	0.4
123.04433	17.4
124.04765	0.4
128.58678	0.3
133.02856	0.4
133.06461	0.3
135.04414	0.4
137.09679	0.3
146.24005	0.3
147.04408	0.8
151.03923	6.1
151.05035	1.0
151.07469	0.3
179.03448	3.2
179.07043	11.8
180.07372	0.4
184.55296	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	179.1068
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
52.16287	1.5
53.03942	8.2
54.56601	1.4
55.01864	6.3
55.05505	10.6
57.03448	8.6
57.03666	1.7
57.07073	2.8
58.99588	1.9
59.04996	1.7
59.52833	1.3
65.03940	5.6
65.88682	1.3
67.05504	20.2
69.03433	19.8
69.07039	2.0
70.54340	2.4
71.01337	3.6
71.04990	3.6
76.02227	8.1
77.03909	1.8
79.05495	24.4
81.03423	3.6
81.07060	25.9
83.04977	5.8
85.02902	3.8
89.03900	3.5
91.05483	75.9
92.05811	2.2
93.07046	82.1
95.04979	18.1
95.08613	13.2
97.02892	2.1
97.06541	4.3
99.98153	1.4
103.05478	5.8
105.03386	4.2
105.04543	2.9
105.07032	100.0
106.07372	1.8
107.04937	6.2
107.07869	2.3
107.08599	43.1
109.06520	27.9
109.10152	22.2
111.04444	8.2
115.05442	6.1
116.01678	2.3
116.06258	1.8
117.07016	12.1
119.04942	7.9
119.06023	1.3
119.08585	30.5
120.08109	2.4
121.06509	54.5
121.10136	4.8
123.04436	20.8
123.08070	14.1
123.11712	9.5
125.05954	4.3
128.06218	11.4
131.04933	2.3
131.08588	8.0
132.05728	1.9
133.02853	11.7
133.06485	12.9
133.08470	3.6
133.10133	80.8
134.06021	1.9
134.10460	2.5
135.04402	2.6
135.08058	20.4
135.11664	2.5
137.05981	17.1
137.09612	25.4
143.06912	1.8
143.08559	13.9
146.07262	9.2
147.03285	1.9
147.04399	4.2
151.03918	5.8
151.11185	19.1
161.05994	3.1
161.08119	2.6
161.09610	46.7
179.03401	47.0
179.07140	9.0
179.10669	62.2
180.03697	2.5
180.06581	3.6
193.98409	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	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.68203	1.1
53.03947	2.4
55.01868	2.8
55.05517	5.9
57.03436	3.1
57.07056	1.6
59.04993	2.0
65.03937	2.7
65.42141	1.0
67.05508	21.3
69.03445	10.0
69.07074	6.0
71.04980	3.1
71.28043	1.5
77.03893	1.4
79.05489	17.6
79.15681	1.0
81.02981	1.7
81.03424	18.2
81.07064	34.3
83.04969	3.5
85.02940	1.5
85.10510	0.9
91.05489	36.2
92.05788	1.4
93.07054	29.8
95.04977	28.4
95.05972	1.1
95.08613	15.5
97.06540	3.7
103.05482	2.3
105.03394	3.8
105.04610	1.1
105.07036	55.4
106.06604	1.1
106.07339	1.2
107.04967	1.6
107.08604	29.9
108.43164	0.9
109.06525	57.2
109.10163	20.5
110.06853	2.1
111.08067	1.5
114.87128	1.1
115.05438	1.8
117.07011	3.1
119.04951	7.4
119.06063	2.3
119.08590	24.3
121.06506	7.9
121.10136	5.3
123.04437	10.6
123.08070	20.2
123.11716	6.3
124.63461	0.9
125.06016	1.1
125.79708	0.9
125.96381	1.2
128.06233	2.7
131.08597	1.7
133.02885	1.7
133.06516	5.0
133.10138	68.0
134.10507	2.6
135.08096	6.1
135.11729	5.8
137.06010	8.3
137.09630	22.0
137.13271	2.6
143.08563	5.5
146.07262	2.6
147.04376	3.9
149.06033	5.1
149.07024	1.4
151.03912	2.6
151.07541	3.0
151.11191	30.4
152.07042	1.1
152.11565	1.3
161.05992	2.4
161.09636	20.8
161.13248	8.2
162.03659	1.0
164.08376	7.5
179.03481	6.2
179.06906	8.8
179.10677	100.0
180.06599	4.6
180.10982	4.1
196.60553	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03945	8.3
55.01868	9.5
55.05514	29.1
57.03421	4.6
57.07066	2.0
59.04991	2.2
59.98122	1.2
62.44170	1.1
65.03921	3.9
67.05507	100.0
68.05841	1.5
69.03394	1.9
69.07069	16.0
71.04987	2.6
79.05494	64.8
80.05814	1.7
81.03421	23.4
81.07060	92.7
82.07404	2.1
83.04985	39.7
83.08624	15.3
85.06543	3.4
91.05486	47.9
92.05779	1.6
93.06474	2.4
93.07044	42.6
94.07362	1.4
94.86696	1.2
95.04977	11.1
95.08611	65.9
96.07185	1.2
96.08914	2.2
97.06528	33.5
97.10143	3.7
99.08044	2.5
105.06388	2.0
105.07038	26.3
107.08592	11.5
109.06512	6.4
109.10160	12.1
111.08081	11.0
113.09631	7.5
117.07014	2.6
119.07791	2.4
119.08582	32.9
121.10149	6.0
123.08045	5.2
133.10132	23.1
135.11708	6.4
137.09581	2.0
140.13893	1.2
159.11693	1.2
161.13260	15.3
179.06461	1.6
179.14304	56.0
180.06404	1.4
180.14653	3.6
180.32068	1.5
199.21324	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.46313	1.8
50.87595	2.1
53.03935	7.6
55.01860	8.1
55.05512	34.5
57.03427	2.4
57.07059	2.2
61.22897	1.9
65.03934	4.5
67.05505	100.0
68.05833	3.2
69.07066	19.3
70.45476	4.6
71.05003	3.7
79.05492	72.3
80.05830	3.0
81.03424	30.8
81.07058	98.4
82.07395	3.2
83.04985	41.3
83.08632	16.2
91.05479	51.9
93.07048	41.9
95.04968	16.0
95.08607	74.8
97.06535	36.3
97.10115	2.8
105.07019	27.7
107.08611	13.1
109.06522	10.8
109.10128	9.4
111.08084	9.5
113.09661	7.2
119.08582	29.6
121.10123	5.9
123.08057	4.6
124.50552	2.2
133.10133	20.9
135.11659	6.9
137.08191	3.5
137.09645	2.2
161.13286	15.7
179.06432	6.3
179.08118	2.5
179.14302	70.6
180.06517	3.6
180.08058	2.3
180.14636	4.6
194.81456	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02408	0.8
53.03949	7.2
55.01876	2.8
55.05513	12.8
57.03441	21.4
57.07075	6.5
57.59306	0.7
59.05003	3.1
61.01153	13.1
65.03941	1.7
67.05509	28.4
69.03426	5.1
69.07074	18.7
69.41716	3.6
71.04997	2.0
71.08630	5.2
76.63990	0.7
77.03934	2.2
79.05496	29.5
81.03429	1.5
81.07062	22.6
83.04986	27.6
83.08612	4.6
85.02924	1.1
85.06542	4.3
91.05476	13.7
92.05025	0.9
93.07048	13.8
95.04969	19.6
95.05559	1.3
95.08611	76.1
96.08950	2.3
97.02896	1.1
97.06535	0.8
97.10166	1.5
103.05483	1.0
104.04967	1.3
105.03397	100.0
105.04552	3.4
105.05336	2.6
105.07032	19.5
106.03722	3.9
106.07342	0.7
107.04980	1.1
107.08598	18.5
107.09290	1.2
109.06520	19.2
109.10164	37.0
110.10471	1.1
110.66960	0.8
111.08088	2.4
115.05491	1.1
117.06997	1.7
119.04985	2.5
119.06074	42.2
119.08579	19.4
120.06410	1.3
120.08105	2.8
121.06499	2.7
121.10150	18.9
123.04443	18.5
123.08073	35.1
123.11710	4.0
132.04485	1.5
133.04828	8.1
133.06445	3.5
133.07474	1.2
133.10129	14.7
134.05995	0.9
134.10455	1.4
135.04411	1.3
135.08051	2.2
135.11694	9.9
137.05978	5.5
137.09618	15.6
137.10674	0.9
137.13228	4.0
143.08543	1.1
147.04419	2.4
151.11209	2.5
151.14822	24.6
152.15169	1.8
155.09393	0.8
161.04285	4.8
161.05840	1.5
161.09613	3.3
161.13263	14.1
162.13663	1.2
179.03378	5.6
179.05244	5.0
179.07079	13.1
179.10773	4.5
179.14310	61.4
180.06621	3.1
180.10100	1.0
180.14650	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	2.1
55.01857	2.8
55.05309	0.9
55.05514	8.4
55.18132	1.0
57.03438	9.1
57.07050	1.0
67.05505	36.6
69.03429	2.3
69.07069	9.2
70.56794	1.8
71.04984	4.0
73.63221	1.0
75.58727	0.9
77.03934	1.2
79.05494	28.8
81.07059	100.0
82.07385	2.0
83.04979	7.0
83.08618	3.5
85.06544	7.1
91.05482	29.6
93.07044	42.1
94.07330	1.6
95.04951	3.0
95.08610	80.4
96.08915	2.0
97.06535	18.7
99.08092	10.5
105.07036	38.0
106.07388	1.1
107.08592	21.0
109.06533	6.7
109.10146	6.1
111.08088	7.3
117.07036	2.7
119.08581	58.7
120.08916	1.7
121.10152	18.1
123.08075	10.6
131.08556	1.6
133.10132	35.0
134.10445	1.7
135.11691	33.1
136.12038	2.0
137.09621	3.8
137.13255	2.4
141.71251	0.9
151.11159	1.3
161.13261	85.3
162.13612	5.2
179.14313	99.9
180.14661	4.6
190.66119	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.75602	0.9
53.03928	2.3
55.01876	5.7
55.05512	9.7
57.03434	8.9
57.07062	2.4
63.52559	0.8
65.03940	0.9
67.05507	45.5
69.03416	4.0
69.07067	12.9
71.04656	0.9
71.04999	6.2
71.14996	1.3
74.01202	1.0
75.91401	0.8
79.05499	32.2
81.07059	95.3
82.07381	1.4
83.04987	7.5
83.08626	4.2
85.06550	7.7
91.05482	34.6
91.90398	0.8
92.05782	1.3
93.07046	44.6
94.07371	1.8
95.04960	4.0
95.08608	76.4
96.08956	2.2
97.05908	1.9
97.06532	29.8
99.08085	8.8
103.05453	1.6
105.07032	43.1
106.07337	1.8
107.08601	20.9
109.06509	6.7
109.10157	8.1
111.08083	5.6
113.09644	1.0
117.07012	3.2
119.08582	58.0
120.08127	2.0
120.08939	2.5
121.06483	3.0
121.10163	21.5
123.08061	14.6
123.11703	2.2
133.10130	36.2
134.10497	2.1
135.11700	35.1
136.02197	1.0
136.12022	1.2
137.09637	5.8
137.13268	3.1
147.04395	1.0
149.89742	0.9
151.03870	0.9
151.11165	2.0
152.06873	0.9
161.13261	88.2
162.13565	4.3
179.03453	2.0
179.06581	2.0
179.10979	2.0
179.14310	100.0
180.06564	1.5
180.14638	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.94532	0.4
53.03944	2.1
55.01879	2.6
55.05515	8.4
57.03443	8.3
57.07071	1.7
59.05008	0.5
65.03947	1.7
67.05508	40.2
68.05821	0.8
69.03440	3.2
69.07069	10.1
69.21090	3.4
71.05004	5.1
78.22914	0.4
79.05497	30.1
80.05835	0.6
81.07060	100.0
82.07404	2.6
83.04991	7.6
83.08617	4.1
85.06543	9.0
91.05483	32.2
92.05816	0.6
93.07048	41.8
94.07380	0.8
95.04981	3.9
95.08610	75.7
96.08923	2.7
97.06536	19.3
97.10146	0.6
99.08099	10.8
103.05427	0.6
105.07033	40.6
106.07362	1.4
107.08598	18.9
108.08907	0.6
109.06517	6.2
109.10159	6.7
111.08088	7.5
113.09641	0.9
117.06993	2.1
119.08585	59.6
120.08134	0.9
120.08929	2.2
121.06522	0.7
121.10148	17.6
122.10476	0.8
123.08074	10.3
123.11701	1.1
131.08594	0.8
133.10132	37.6
134.10484	1.3
135.11697	35.2
136.12041	1.7
137.05995	0.6
137.09628	5.1
137.13245	2.7
151.11160	1.3
151.14821	1.0
161.13261	95.2
162.13599	4.8
179.03418	0.6
179.06403	0.9
179.14314	99.2
180.06543	1.1
180.14658	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	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
54.47252	3.9
55.01875	14.1
57.03441	11.3
60.04542	5.2
61.02926	7.8
63.99499	4.4
65.03924	5.1
67.05493	5.0
67.98389	3.9
68.05024	7.5
69.03431	40.8
70.06583	12.3
71.05000	5.8
72.04519	23.5
73.02915	12.7
79.05489	11.3
80.05020	5.2
81.03420	22.2
83.04996	5.2
84.04516	6.6
85.02914	100.0
89.03918	21.6
91.05480	10.7
93.03405	6.4
93.07043	13.6
95.04958	5.2
96.04516	8.4
97.02891	32.7
98.06100	10.9
99.04471	11.7
101.02440	7.2
103.05474	7.2
106.06562	15.6
107.04964	8.2
108.04435	4.3
109.02895	13.2
110.06064	5.4
111.04447	9.4
114.05544	5.3
116.07121	7.0
117.03391	19.0
121.06509	51.4
124.03956	11.4
124.07566	5.7
125.06007	5.1
125.49878	4.5
126.05476	4.6
127.03915	53.5
131.01938	4.5
134.06007	32.8
134.08138	10.5
135.04436	33.7
138.05457	5.7
139.03938	4.3
145.02858	15.9
145.04970	20.3
148.04799	8.0
149.02373	6.0
152.07080	19.2
156.97491	12.1
162.05528	14.0
162.07748	4.3
162.09151	5.8
163.03920	76.0
174.98621	11.5
179.99153	6.8
180.06555	51.0
180.08127	5.5
180.08768	6.9
180.10223	15.7
180.13863	9.9
181.02628	14.8
181.05025	17.1
198.00252	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	180.1019
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
50.43168	0.1
52.88866	0.2
60.43445	0.2
65.03938	0.4
66.34007	0.1
70.87854	0.2
70.88179	0.2
77.03900	0.2
79.05494	0.3
82.04205	0.2
85.02899	0.6
91.05495	1.0
93.07045	2.0
97.02876	0.2
98.97588	0.3
103.05466	8.4
104.05825	0.3
105.04523	0.2
110.03607	0.2
116.98615	0.3
118.06541	0.2
120.08105	100.0
121.06506	5.4
121.08433	2.6
126.65384	0.1
131.04930	1.3
135.04439	0.3
135.08115	0.2
145.02834	0.2
160.56532	0.1
163.03918	0.6
163.07553	0.6
165.00227	0.2
175.11971	0.2
180.06573	0.2
180.10179	1.4
181.04958	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	180.102
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.02375	0.3
53.03955	2.1
55.01866	0.9
56.96572	0.3
60.04526	0.4
61.52721	0.3
65.03941	5.3
67.05507	1.8
69.03418	1.1
69.19270	1.7
71.04976	0.2
77.03910	0.6
79.05489	0.9
79.34729	0.3
81.03419	0.5
82.04202	2.1
83.04977	0.3
85.02897	3.8
91.05480	7.2
91.06356	0.3
92.05806	0.4
93.03392	0.6
93.07048	12.2
94.07401	0.5
95.04972	3.3
97.02888	0.6
97.06531	1.0
98.97603	1.6
100.28665	0.3
103.05471	12.1
104.05789	0.7
105.04506	1.1
105.06988	0.4
106.06542	0.4
107.04973	0.7
108.02103	1.2
109.02857	0.3
110.03656	2.3
111.04456	0.8
116.98621	1.0
119.04961	0.4
120.08109	66.8
121.06508	100.0
122.06836	2.5
123.00777	0.6
124.03943	0.4
125.06004	0.9
131.04936	1.1
134.05998	0.4
134.99632	0.7
135.04401	0.8
135.08080	0.4
137.05986	2.0
138.03117	1.5
138.09128	3.2
142.02638	1.3
145.02861	0.3
145.49527	0.3
149.02348	1.4
152.07068	0.8
153.05479	1.0
162.05490	0.4
163.03909	1.5
163.07642	0.3
171.06522	2.0
180.03812	1.5
180.06564	1.2
180.10135	2.8
181.01393	0.6
181.04968	14.8
181.08554	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	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03931	0.9
54.57733	0.3
62.30101	0.3
63.02365	0.6
65.03932	1.3
67.01845	0.4
67.05499	0.9
69.24023	2.4
70.22817	0.4
71.19949	0.4
74.31516	0.4
79.05487	3.5
82.04209	0.5
85.02917	0.4
89.03919	17.5
91.05478	2.0
93.03397	0.6
93.07042	0.8
95.04931	0.7
95.49081	0.3
96.01196	0.3
98.97591	2.1
104.45154	0.4
105.04466	0.4
107.04960	5.5
110.03661	0.4
111.04461	0.9
116.96962	0.3
116.98612	1.2
117.03379	21.8
118.03655	0.6
119.04897	0.6
121.06503	0.7
135.04420	39.2
136.04749	1.7
136.07605	0.4
139.03923	0.6
145.02858	25.6
145.03893	0.9
146.03174	0.9
163.03906	100.0
164.04250	4.5
166.06314	0.4
170.98761	0.5
181.01437	0.4
181.03624	0.5
181.04935	2.7
181.08615	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	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03957	3.1
55.01883	2.6
57.03456	1.4
63.02392	1.0
64.56094	0.8
65.03946	25.2
67.05515	9.6
69.03437	3.0
71.95284	0.7
77.03921	0.7
79.05504	5.5
81.03398	1.2
82.04205	10.9
85.02909	15.5
89.03918	17.1
91.05501	3.2
93.03426	4.4
93.07051	2.1
95.04990	3.9
97.02907	1.5
97.06539	5.6
98.97580	7.6
101.02373	1.2
105.04542	1.6
107.04951	7.6
107.08622	0.9
108.02100	6.8
110.03664	9.4
111.03806	0.8
111.04449	4.4
116.98632	4.1
117.03384	20.3
121.06524	1.7
121.10106	0.9
123.00820	3.9
125.05986	6.0
134.06218	0.8
134.99704	1.0
135.04420	38.6
135.08023	1.5
136.04762	1.6
136.07558	0.9
137.02319	1.1
138.03131	6.3
139.03917	1.9
142.02618	7.3
145.02849	21.6
145.03984	1.4
146.03137	0.9
153.05453	2.4
163.03914	100.0
164.04263	3.6
164.07068	1.2
171.06516	8.6
178.73119	0.7
181.01425	2.9
181.04964	70.5
181.08391	1.5
182.05315	3.2
202.02893	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02382	0.7
53.03944	4.0
54.04723	0.6
55.01876	3.8
55.05508	1.0
56.96558	1.4
57.03435	1.6
60.68607	0.5
65.03942	36.6
66.04294	0.7
67.05506	15.0
68.99780	1.4
69.03439	5.8
69.07067	1.9
71.04999	1.2
71.28367	0.7
75.04482	0.5
77.03912	0.9
79.01838	0.6
79.05496	6.0
80.26933	0.5
81.03416	1.7
81.07050	2.0
82.00559	1.1
82.04200	15.1
83.04967	1.8
85.02908	19.5
89.03917	7.1
91.05492	4.6
93.03407	6.1
93.07040	5.2
94.06557	0.8
95.01295	0.5
95.04972	7.1
95.08612	1.3
97.02915	2.6
97.06544	9.0
98.97588	11.0
99.04440	1.5
101.02398	0.7
101.06041	0.5
103.05476	1.0
105.03361	0.8
105.04528	1.9
105.07043	1.4
106.03693	1.0
107.03886	0.7
107.04953	4.4
107.08575	3.8
108.02106	7.9
108.08109	0.5
109.02879	0.6
109.06525	1.4
110.03661	15.3
111.04465	6.6
114.03136	1.1
116.98623	8.5
117.03387	8.1
117.07030	0.9
119.08576	0.7
120.02061	0.6
121.02882	0.7
121.04003	0.7
121.06496	2.1
121.10150	5.0
122.06831	0.8
123.00771	4.5
123.04441	1.4
123.08084	1.2
125.02360	1.0
125.05991	7.7
129.05515	0.8
129.25453	0.5
134.99660	5.1
135.03374	0.8
135.04414	17.2
135.08060	1.6
135.11685	1.9
136.04712	1.5
136.07489	0.8
137.02342	1.6
137.05992	0.8
137.09648	0.7
138.03123	9.2
139.03894	1.6
139.07597	0.7
142.02623	11.0
145.02856	11.9
145.10130	2.2
149.05952	0.9
153.05472	2.0
153.09055	0.6
156.04156	0.6
163.03906	38.9
163.07538	1.9
163.11160	3.0
164.04257	1.6
164.07014	0.6
166.06227	1.0
166.07686	0.7
170.02101	0.8
171.06543	14.7
172.57475	0.6
181.04964	100.0
181.12100	3.1
182.00955	0.6
182.05316	4.5
182.08119	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	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03952	0.8
55.01865	0.9
55.05500	0.3
56.96561	1.0
57.48706	0.4
58.15374	0.4
63.02367	0.8
65.03957	2.0
67.05495	1.0
69.03437	0.8
70.06599	0.7
71.28448	0.4
71.28803	0.5
79.05494	6.8
81.03407	0.5
81.07042	0.6
82.04194	0.7
83.04988	0.7
85.02911	0.9
86.09666	0.5
89.03919	19.2
90.04280	0.7
91.05485	3.8
93.03413	0.9
93.07049	3.1
95.04967	1.5
95.08601	0.7
97.02827	0.4
97.06525	0.7
98.97585	6.7
105.07039	0.6
107.04958	7.2
107.08596	1.6
108.05263	0.4
111.04433	2.0
111.08060	0.4
114.46983	0.4
116.98611	4.0
117.03380	24.0
117.07034	1.0
118.03702	0.7
119.04908	0.9
119.08588	0.8
120.08095	1.0
120.66562	0.4
121.06512	1.6
121.07652	0.4
121.08447	1.8
121.10165	2.6
123.08092	0.9
125.06079	0.6
125.07099	1.1
134.99675	1.7
135.04420	43.5
135.08023	3.3
135.09029	0.6
135.11693	0.8
136.04781	2.0
136.07578	1.3
137.05991	2.6
139.03926	1.4
145.02855	26.0
145.10080	0.5
146.03185	0.9
153.05489	0.5
163.03908	100.0
163.11191	1.2
164.04231	4.4
164.07007	0.4
181.04951	3.1
181.08307	2.2
181.09949	1.9
181.12204	1.0
182.08092	0.8
192.60620	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	181.0496
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.00318	0.6
53.03954	3.4
54.04737	1.0
55.01871	2.6
55.05510	0.8
56.96562	1.4
57.03424	1.3
65.03944	34.8
66.04275	0.8
66.61826	0.5
67.01867	0.7
67.05507	11.3
68.02630	0.7
68.99801	0.9
69.03431	4.7
69.07054	1.0
70.06586	1.0
70.49030	1.0
70.49422	1.0
71.04974	0.5
72.07037	0.5
77.03931	0.8
79.05491	3.8
81.03403	2.6
81.07059	0.8
82.00556	1.1
82.04200	16.2
83.04991	1.0
85.02905	18.2
86.03212	0.6
91.05485	5.1
92.02624	1.5
93.03408	6.3
93.07050	3.0
95.01337	0.7
95.04988	4.8
95.08586	0.6
97.02905	1.9
97.06537	8.2
98.97591	10.8
101.02377	0.7
103.05466	1.7
105.04497	0.7
107.04951	1.6
107.08582	1.1
108.02096	9.3
109.02950	0.5
110.03663	13.6
111.04458	13.6
114.03131	0.7
116.98629	10.2
119.04951	1.8
120.02070	2.2
121.02883	0.5
121.03971	1.4
121.06522	3.9
121.07314	0.7
121.07593	0.5
121.10155	1.2
122.06853	1.3
123.00793	6.0
123.04412	1.0
125.02361	0.9
125.05997	7.9
127.00275	0.6
129.05566	0.7
134.99663	6.6
135.04437	1.2
135.08133	1.1
135.09111	0.6
135.11732	0.6
136.07593	1.1
137.02345	2.4
137.05939	4.0
138.03122	10.3
138.79578	0.5
139.03915	7.1
141.01852	0.8
142.02620	10.2
143.02841	0.6
149.05971	1.5
153.00670	1.5
153.05476	1.6
156.04089	0.6
163.03944	3.0
163.08768	0.5
163.11140	0.6
164.07097	0.7
166.02667	3.1
166.06242	0.7
170.02106	1.1
171.06541	12.5
172.06848	0.8
181.04961	100.0
181.12207	1.5
182.05286	4.1
182.08095	1.2
184.03665	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	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03946	0.7
63.02374	0.6
65.03933	0.6
65.53918	0.3
69.28832	0.3
69.42518	0.7
69.42921	1.3
79.05501	3.2
82.04218	0.4
89.03920	17.4
91.05475	1.0
93.03415	1.0
93.07011	0.4
95.04934	0.8
98.97549	0.9
107.04960	7.0
111.04473	1.6
113.96455	0.3
116.98616	0.4
117.03383	21.2
118.03706	1.1
119.04973	0.5
134.99597	0.4
135.04420	41.1
136.04750	2.0
137.68343	0.4
139.03931	1.0
144.11076	0.4
145.02852	24.6
146.03207	1.0
163.03906	100.0
164.04245	4.5
181.04948	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	181.0496
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
50.60519	0.6
51.02370	0.7
53.00302	1.1
53.03964	3.5
54.04712	0.6
55.01866	2.6
55.05489	0.7
56.96566	2.0
57.03433	1.1
65.03946	36.5
66.04282	0.9
67.05509	13.7
67.50875	0.6
68.99778	1.8
69.03427	5.0
69.07059	1.4
69.73259	2.7
70.06604	0.7
71.04969	0.8
77.03925	1.0
77.23444	0.6
79.01858	0.8
79.05502	3.9
81.03416	2.6
81.07050	0.6
82.00571	1.5
82.03734	1.0
82.04205	17.8
85.02908	20.1
86.03257	0.8
89.03936	0.7
91.05479	7.0
92.05830	0.7
93.03415	11.4
93.07063	3.7
94.06574	0.7
95.04990	5.7
95.08606	0.8
97.02889	1.9
97.06530	8.8
98.23415	0.8
98.97009	1.0
98.97592	11.5
99.04405	1.0
101.06007	0.8
103.05463	2.4
105.04531	1.3
107.04983	2.0
107.08582	1.9
108.02104	9.7
108.04409	0.6
109.06523	0.6
109.14941	0.6
110.03667	15.1
111.04456	25.1
112.04784	1.0
116.98626	10.7
117.03385	0.9
117.07039	0.7
119.04939	1.3
121.02939	0.8
121.03965	1.3
121.06523	4.1
121.07311	0.7
121.10130	1.3
122.06030	0.7
122.06828	1.9
123.00788	6.0
123.04420	1.4
125.02337	0.6
125.06003	8.2
126.03178	0.7
127.00259	0.9
134.99669	7.9
135.04416	2.6
135.08034	2.1
135.09109	0.7
135.11687	1.3
136.07553	2.2
137.02328	2.2
137.05966	2.5
138.03134	8.1
139.03911	26.1
142.02626	8.6
142.70157	0.5
144.07758	0.5
145.02913	0.7
145.35851	0.6
149.05995	2.8
149.08827	0.5
153.00751	1.0
153.05429	2.1
163.03931	4.0
163.07523	0.7
163.11195	1.0
164.07121	1.2
166.02605	0.9
166.98517	1.0
170.02162	1.1
171.06538	14.5
181.04962	100.0
181.12228	2.3
182.05408	4.1
182.08101	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03920	1.3
55.01854	1.6
55.05492	2.6
57.03424	1.0
57.07078	19.5
58.07408	0.7
59.04990	1.9
60.01817	0.6
62.71748	0.6
69.07056	2.9
69.55638	3.1
79.05501	7.5
81.03426	5.4
81.07059	3.6
82.48935	0.7
83.04984	42.7
91.05470	2.9
93.07045	7.1
95.04971	14.7
97.06530	18.8
98.06872	0.7
98.97579	4.7
105.07037	5.3
107.04949	1.7
107.08601	9.7
116.98605	2.9
117.07003	2.4
119.08575	3.1
121.06517	2.8
121.10147	12.4
123.08172	0.7
125.05997	55.7
126.06297	1.6
130.07759	1.9
134.99663	2.0
135.07927	0.7
135.11694	6.5
145.10115	11.5
163.11188	100.0
164.11528	4.4
166.07721	0.6
179.65132	0.8
181.09923	1.3
181.12245	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	181.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75869	0.9
53.03943	1.2
55.01884	1.2
55.05516	2.3
57.07080	19.4
59.05001	2.4
60.01307	0.7
60.86315	0.7
64.44622	0.7
67.05503	1.9
69.03424	0.9
69.07079	2.5
79.05495	6.6
81.03421	4.9
81.07061	3.3
82.86537	0.8
83.04984	46.5
91.05479	2.8
93.07061	6.1
95.04976	13.1
95.08646	0.8
97.06535	21.7
98.97601	5.8
105.07029	4.7
107.04961	1.3
107.08604	9.8
116.98636	4.0
117.07015	2.0
119.08611	3.4
121.06503	1.4
121.10147	11.6
125.05996	58.2
126.06355	2.0
130.07777	2.0
134.99672	2.2
135.08076	0.7
135.11703	5.9
138.17821	0.7
145.10132	7.7
146.10411	1.0
163.11188	100.0
164.11530	4.2
181.10086	1.6
181.10400	1.5
181.12236	30.7
182.12625	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.57482	0.6
55.01888	0.9
55.05514	2.2
57.07079	19.8
58.07431	0.8
59.05008	2.8
67.05504	1.2
69.03429	0.9
69.07085	3.2
78.86696	0.6
79.05491	6.6
81.03422	6.2
81.07053	3.9
83.04986	42.8
84.05295	0.7
85.06458	0.8
91.05479	2.6
93.07059	7.3
95.04972	12.9
97.05917	1.3
97.06535	22.8
97.07146	1.4
103.05447	0.7
105.07029	4.7
107.04973	1.8
107.08598	10.2
109.06510	0.8
117.07020	2.4
119.08575	3.0
121.06512	3.0
121.10145	10.7
125.05997	53.6
126.06327	2.0
130.07768	2.1
135.08022	0.8
135.11685	5.7
145.10112	8.5
163.11188	100.0
164.11539	3.9
180.02464	0.8
181.12239	26.3
182.12602	1.4
197.76350	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.11022	0.9
53.03951	1.8
55.01870	1.9
55.05516	6.0
56.96571	1.5
57.07079	19.0
59.04994	2.6
62.17852	1.0
67.05505	3.5
69.03446	2.3
69.07079	3.5
69.70528	1.9
71.05003	2.6
73.43994	1.3
79.05502	11.3
81.03420	4.5
81.07051	7.3
83.04984	39.4
83.08617	13.5
84.05332	1.6
85.06555	1.3
91.05486	6.8
93.07051	15.1
95.04970	13.9
95.08623	3.0
97.02914	3.8
97.06543	19.7
98.97589	10.8
99.04449	1.5
103.05476	1.6
105.07027	6.7
107.04973	3.4
107.08594	12.1
109.10122	1.0
110.06123	1.0
116.95276	0.9
116.98620	7.5
117.07029	3.0
119.08624	5.6
121.06513	5.8
121.10149	23.2
123.08096	2.8
125.05997	56.5
130.07803	2.0
134.99687	2.3
135.04417	2.4
135.08072	2.2
135.11705	5.8
136.07587	2.6
137.09631	1.1
139.07524	1.2
143.08556	1.1
145.10143	17.0
149.06038	2.1
151.11174	1.3
163.11194	100.0
164.07138	1.6
164.11546	4.2
181.08595	1.5
181.12230	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02398	1.0
53.03939	2.2
55.01881	4.3
55.05508	2.8
66.18040	0.9
67.05506	9.9
69.03455	1.2
69.07087	1.0
69.94207	0.8
70.35744	1.4
70.36044	0.9
70.92458	0.8
71.04989	1.4
79.05068	1.7
79.05496	25.9
81.07058	42.8
82.07373	0.8
83.04983	1.2
89.29662	1.1
91.05482	12.8
93.07045	48.9
94.07377	1.5
95.04977	6.8
97.06504	1.5
98.97601	10.0
103.05479	1.6
105.07031	14.6
107.04951	1.2
107.08599	18.4
109.06514	17.3
109.10176	1.3
115.05476	0.9
116.98609	4.5
117.07008	7.9
117.09711	1.0
119.08592	18.8
121.06534	4.5
121.10146	44.4
122.10427	1.7
127.07561	13.1
130.07819	5.4
133.10127	1.5
134.99680	2.0
135.08058	16.7
135.11702	25.1
136.12033	1.7
137.09608	1.9
137.51971	0.9
143.08551	2.8
145.10126	69.8
146.10509	4.3
147.07957	1.2
148.08844	1.5
151.11198	15.7
163.11186	100.0
164.11497	4.2
181.12231	39.5
182.12553	1.5
198.93387	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01862	1.7
55.05516	5.2
55.19436	1.8
55.20244	2.1
57.07074	19.4
58.41609	2.3
59.05000	3.5
67.05492	3.4
69.07075	2.6
71.61594	1.9
79.05485	8.5
80.04898	1.9
81.03420	4.7
81.07057	4.7
82.75573	1.8
83.04982	42.4
83.08620	2.5
93.07041	8.4
95.04970	13.7
95.08605	3.7
97.06528	20.1
98.97581	7.6
105.07023	6.5
107.08601	11.8
116.98651	6.0
117.07019	3.2
121.06525	2.8
121.10149	14.8
125.05999	54.0
130.27890	2.0
134.99628	3.2
135.11688	7.8
145.10124	10.0
163.11185	100.0
164.11549	5.8
165.11256	2.3
181.06131	5.3
181.10794	2.1
181.12245	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03955	0.7
53.33099	0.4
57.19278	0.4
65.85939	0.4
70.96153	0.5
91.05486	40.5
92.05836	1.0
92.15635	0.4
93.07090	0.5
95.04975	16.8
95.05560	0.9
96.05296	0.5
101.00896	0.4
103.05493	1.4
107.04958	1.6
109.06543	1.4
117.65669	0.5
118.06541	1.5
119.04950	45.8
120.05321	1.3
121.06515	1.4
123.04439	58.8
124.04788	1.4
136.07585	100.0
137.07938	2.6
147.03223	0.6
147.04417	19.0
164.05698	2.0
165.05482	27.9
166.05821	0.7
182.08139	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.10176	0.9
53.03944	3.7
55.05514	7.0
57.03420	1.4
58.02945	3.2
65.03946	6.7
67.05503	19.7
68.01405	1.1
68.05036	1.2
68.06268	0.9
69.03422	1.4
69.07068	4.7
69.79194	0.8
70.02990	1.4
72.04502	1.2
79.05495	32.7
80.05019	2.5
80.05807	1.4
81.07055	41.9
82.02945	1.3
82.06590	1.7
82.35861	0.9
83.04980	1.2
83.08610	3.5
84.08149	1.5
86.02429	3.7
89.73848	0.9
91.05482	8.5
92.04995	1.9
93.05793	6.3
94.06559	2.7
95.04979	13.6
95.08583	1.1
96.04475	3.3
96.08119	1.7
97.05242	1.5
97.06534	9.0
98.06053	3.9
98.09697	3.7
98.97568	3.0
98.98470	3.1
99.04459	1.7
99.97887	1.6
106.06515	1.9
107.07350	5.8
108.04472	3.0
108.08118	62.9
109.06520	8.4
109.08434	1.2
110.06077	4.9
112.03960	1.1
116.98606	1.7
117.98961	1.1
118.06509	3.1
120.04454	2.6
121.05252	3.8
122.06028	3.3
123.04426	7.1
124.07550	1.6
125.05997	32.0
126.05517	37.3
126.09161	19.8
127.05878	1.0
127.07604	1.1
134.05986	2.1
134.99683	1.5
136.07578	100.0
137.05998	2.6
137.07899	2.5
138.05504	3.6
140.04692	2.1
141.05475	1.7
152.07079	1.9
153.05464	2.1
153.07858	3.1
154.08624	28.7
155.07056	2.7
160.04518	1.4
164.07066	89.8
165.07414	3.7
166.98532	1.0
182.00943	2.1
182.08125	93.5
182.19032	4.2
183.06625	0.9
183.08438	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	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.41699	0.3
55.83297	0.3
56.05034	0.7
65.03963	0.5
77.03939	0.5
88.61256	0.3
91.05482	42.3
92.05812	1.4
95.04967	18.0
96.05293	0.5
98.23387	0.5
103.05473	1.5
106.33097	0.4
107.04946	2.2
109.06527	1.5
109.71899	0.4
118.06546	2.1
119.04943	45.4
120.05231	1.7
121.06490	1.0
123.04428	61.1
124.04761	1.4
136.07576	100.0
137.05984	0.9
137.07919	3.0
147.04407	19.2
148.04724	0.7
165.05475	28.6
166.05803	0.7
182.08134	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	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
50.78734	0.8
53.03940	1.1
54.16754	0.8
55.01883	1.0
55.05514	8.9
57.07069	2.6
58.02961	36.3
67.05503	20.4
69.03413	0.9
69.07070	64.8
70.06593	2.0
70.97549	2.3
72.08154	1.1
74.06068	1.9
79.05492	7.7
81.07060	19.4
82.10737	1.0
83.04957	1.9
83.08617	7.6
84.08145	8.7
85.06541	1.1
86.06053	1.6
91.05486	4.8
93.07053	8.5
95.04954	2.3
95.08631	6.6
97.06522	2.8
98.06039	2.7
98.09685	3.2
98.97575	1.4
100.07615	6.7
105.07024	13.2
107.08588	19.7
109.06535	2.5
109.10155	47.6
110.10480	1.4
112.07601	2.9
114.09174	15.4
115.90310	1.0
116.98516	1.1
121.10098	1.6
123.11715	7.3
126.09148	12.1
126.12794	2.0
133.10129	26.7
134.10483	1.1
135.11690	16.2
138.11800	1.7
138.12781	22.2
140.10733	1.0
147.11690	3.8
151.11186	9.2
153.12714	9.5
154.15883	2.0
164.14349	2.2
165.12712	2.9
182.15402	100.0
183.15738	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	183.0653
Annotation	(-)-Palasonin
Peak:m/z	Relative Intensity
53.03945	3.4
66.04728	0.6
67.05508	1.2
68.99805	0.5
77.03925	0.7
78.04711	2.7
79.05499	4.4
81.03400	1.8
81.07074	1.0
83.04999	0.5
91.05459	0.5
92.02636	2.2
93.03417	0.4
94.04183	7.2
95.04974	6.6
96.05759	12.6
98.98475	0.9
105.04532	1.5
107.04957	1.6
108.05742	22.5
109.02887	6.8
109.06536	5.7
122.03671	1.5
123.04449	1.1
124.05215	56.4
125.05960	2.0
135.05542	1.8
137.05966	1.4
138.06767	1.8
139.07542	100.0
140.07907	2.8
155.07013	0.7
165.05473	11.5
165.06805	0.9
166.05768	0.6
173.35683	0.4
183.06517	3.8
204.45886	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	183.1017
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03952	1.7
53.58551	1.1
55.01877	16.4
55.05518	7.4
57.03453	1.9
65.03915	1.3
67.05510	49.4
67.14758	1.1
69.03435	6.8
69.07069	5.6
69.36972	1.0
69.63368	5.1
70.06612	1.7
71.04998	9.4
78.02528	1.2
79.05057	2.1
79.05494	18.1
81.07058	52.7
83.04990	1.9
83.08601	2.0
84.08985	1.1
85.06564	4.8
86.09724	2.5
91.05498	4.7
93.07046	7.7
95.04975	9.0
95.08611	21.4
97.06538	9.8
98.23347	1.5
98.98448	8.9
99.04461	6.7
99.08106	4.2
100.11343	1.3
105.07047	2.6
107.08607	3.5
109.06531	5.9
109.10159	100.0
110.10494	2.7
113.06019	4.7
119.08598	5.3
121.10163	4.9
123.08066	4.0
123.11706	5.6
125.00031	1.8
125.05999	32.7
127.01609	1.8
127.07536	1.7
137.09621	31.6
138.12692	1.4
141.07013	1.2
143.07037	4.0
147.11717	2.3
153.07164	1.3
153.09158	2.0
155.08646	1.3
155.10674	3.6
160.04640	1.3
165.09119	15.5
168.09386	1.3
172.76878	1.2
183.02910	1.3
183.10190	8.5
183.11523	1.2
183.19461	3.7
184.07413	2.0
184.13406	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	183.1381
Annotation	Nordavanone
Peak:m/z	Relative Intensity
50.04130	4.5
51.13836	4.6
53.46028	4.5
55.05518	27.6
57.07065	5.9
67.05507	19.8
69.00538	8.8
69.00942	31.6
69.03435	7.4
69.07069	15.6
71.04998	74.3
73.06571	38.1
79.05505	21.2
81.07069	58.5
83.04964	7.8
85.02937	5.0
85.06546	20.6
91.05476	8.9
93.07034	32.1
95.04982	8.2
95.08616	31.2
97.06544	95.4
98.98486	34.9
99.04461	14.3
99.08101	100.0
105.07031	14.7
107.08586	17.9
109.06528	11.0
109.10155	12.5
111.08085	13.8
113.05988	4.5
119.08616	11.3
121.10185	7.9
123.04411	5.5
123.08066	12.4
123.11723	17.0
125.06063	5.2
127.07561	13.7
137.02338	12.1
137.09596	6.9
137.13289	13.7
138.09186	5.9
141.12740	5.0
147.11705	8.8
160.04533	6.0
165.01872	11.6
165.09007	5.8
165.12779	16.2
167.03346	4.8
183.02911	7.6
183.11961	4.7
183.13782	24.7
183.15784	8.0
190.39833	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	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05048	1.7
58.06610	0.5
60.08167	20.1
67.05527	0.3
69.03830	2.1
70.06610	0.4
71.07377	10.7
86.09708	100.0
87.10033	1.7
98.98467	18.0
101.95028	3.1
102.96844	0.5
104.10747	3.8
107.06047	1.4
116.99516	0.4
119.06051	0.4
119.96070	1.8
120.97897	0.6
121.07624	0.6
123.05640	0.3
124.07536	0.3
125.00007	83.3
126.00377	0.4
126.37695	0.3
137.07062	0.3
137.97101	0.9
143.01062	1.4
149.07127	1.3
160.98758	0.6
161.04626	0.5
166.02609	0.4
166.08629	0.4
167.08258	0.5
172.95647	0.3
184.07349	98.8
185.07690	1.7
185.09210	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	184.0731
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05036	1.1
58.06594	0.5
60.08168	19.2
64.23566	0.5
71.07380	11.2
71.27890	0.7
76.36340	0.6
86.09711	100.0
87.10043	1.9
98.42079	0.5
98.98473	18.4
98.99129	1.0
101.95029	1.8
104.10750	4.1
107.06099	1.1
108.90685	0.5
119.96069	1.1
125.00014	81.5
128.81697	0.5
137.97096	0.8
138.69214	0.4
138.99011	0.4
143.01077	1.3
144.79442	0.6
149.07059	0.5
157.10179	0.5
184.07356	96.3
185.07623	1.5
185.09239	0.7
188.69618	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	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05033	1.3
58.06609	0.8
59.52156	0.5
59.67161	0.4
60.08168	18.3
60.59394	0.4
68.59398	0.4
68.93627	0.4
70.54346	0.9
71.07378	11.6
71.63176	0.4
84.20277	0.4
86.09711	100.0
87.10043	1.8
98.98473	17.0
101.95049	1.9
104.10753	4.9
111.84098	0.4
119.96107	1.0
121.07708	0.5
125.00009	78.8
126.00385	0.6
137.97110	1.0
143.01027	1.0
149.07137	0.5
167.08197	0.7
184.07355	87.6
185.07634	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	184.0735
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05044	1.5
58.06570	0.8
59.07388	0.3
60.08167	19.7
66.28400	0.2
70.06587	0.2
71.07377	12.0
71.25063	0.2
71.59426	0.2
72.07720	0.2
80.97434	0.3
82.57027	0.2
84.08121	0.2
86.09709	100.0
87.10027	2.3
98.98470	19.3
104.10750	5.1
107.20889	0.1
119.01942	0.2
125.00008	82.1
126.00341	0.7
129.28970	0.2
130.83571	0.2
136.36745	0.1
143.01042	0.8
168.67192	0.2
173.11627	0.2
184.07350	90.9
185.07660	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	184.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	0.5
56.04991	0.5
57.08879	0.4
58.06537	1.7
59.07342	0.5
60.08095	16.5
60.08433	2.0
61.02851	0.6
68.04986	0.6
70.06546	1.2
71.04955	0.8
71.07378	6.8
71.29967	0.6
71.30322	0.6
72.93721	0.6
73.02886	1.1
82.06524	0.5
83.04970	0.5
85.02882	0.8
86.09711	54.9
87.10011	1.0
96.04471	0.7
97.02873	0.7
98.98476	10.0
101.00891	0.9
102.00964	0.6
103.09452	0.5
104.10753	100.0
105.11096	1.8
107.06093	0.6
110.06087	1.1
110.07187	0.8
111.05605	0.7
114.06692	0.8
114.28358	0.6
114.95947	0.7
119.01929	6.6
120.02034	0.9
121.07713	1.8
124.07652	1.0
125.00014	41.1
131.01965	0.6
131.98669	0.8
137.03049	2.3
138.05598	1.6
138.10345	1.1
142.03606	1.4
149.07239	1.4
149.99739	0.7
156.06702	1.0
157.01816	0.6
160.04724	0.7
161.03140	1.5
166.05183	1.1
166.08778	0.9
166.86958	0.5
167.03517	0.6
167.08354	1.1
172.46440	0.5
174.03438	0.6
184.07660	39.6
185.08003	0.9
185.09427	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	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74792	26.7
69.89977	100.0
87.10041	74.5
122.60923	29.3
124.99932	39.5
151.52797	28.5
185.07747	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0446
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
51.02377	1.4
53.03953	0.9
55.01868	2.9
55.05498	1.9
56.05043	0.6
61.02910	0.9
65.03944	1.5
67.05503	8.8
68.04994	0.5
69.03429	2.6
69.07064	1.3
70.06598	0.7
70.92326	0.8
71.04984	1.5
77.03922	0.6
78.98846	0.5
79.01859	7.4
79.05479	1.2
81.03413	1.3
81.07045	1.6
83.04971	2.1
84.04495	0.9
84.08117	0.8
85.02905	0.8
85.58298	0.5
86.09711	7.5
86.83057	0.5
91.05474	0.9
93.07034	1.8
95.04974	11.4
95.06083	1.8
95.08597	2.1
97.02885	4.2
97.06527	0.9
98.06049	0.7
99.08059	0.6
100.03052	0.5
101.06004	1.4
102.96838	0.6
105.03378	0.8
106.05318	0.5
107.01317	40.8
107.06078	4.9
107.08588	1.2
108.02099	1.9
109.02885	1.7
109.06526	0.7
109.10176	0.8
111.04398	0.8
111.05565	0.7
112.07604	2.1
113.05975	0.8
114.05529	0.8
117.03447	0.6
119.06067	2.0
121.07620	5.7
121.10136	1.7
122.06010	1.5
123.04436	20.2
123.05450	1.2
124.04726	0.6
125.02357	31.7
125.09631	2.0
126.03134	59.4
127.03843	2.1
128.06183	0.6
129.07016	0.8
130.06535	0.6
131.06076	1.7
135.00772	4.3
137.07071	1.7
139.11230	1.4
140.07076	3.7
141.05475	2.6
143.03401	3.2
149.07117	7.4
149.13234	1.0
153.01828	100.0
154.02185	2.9
154.48856	0.5
157.06500	1.6
158.05954	0.7
158.08121	1.1
163.01924	0.6
167.06969	0.8
167.08170	4.7
167.10628	0.9
168.06578	0.9
171.02884	17.0
181.02861	0.6
182.96925	0.6
185.04491	6.3
185.07240	0.6
185.09250	2.3
185.10684	0.7
185.15335	0.5
185.17278	1.0
186.07654	1.2
186.09166	1.1
186.18530	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	185.0445
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
50.01605	0.4
51.02381	0.5
53.03951	1.2
55.01878	1.4
55.05523	0.9
56.96572	0.5
57.07075	2.8
65.03944	1.4
67.05507	1.1
69.03414	0.4
69.07074	0.4
69.19786	1.9
69.20199	0.7
72.08146	0.4
72.43859	0.3
74.09728	0.8
78.63834	0.3
79.01850	1.5
80.02639	0.5
81.03419	21.8
82.03759	0.7
83.04990	0.8
83.06121	0.5
84.04506	3.5
85.02906	4.7
86.09692	1.3
93.03390	0.6
95.01344	0.4
95.04966	6.5
95.06005	0.3
96.02097	0.5
97.02896	2.8
102.05537	2.7
107.01317	28.5
107.06097	1.1
108.02135	2.7
109.02881	49.6
110.03226	1.0
111.04406	2.0
112.07614	0.5
121.07623	1.1
122.05984	0.4
123.04428	4.7
124.01578	0.6
124.07619	0.5
125.02341	4.1
125.07944	0.6
126.03135	100.0
127.03440	2.4
130.05005	17.3
135.00775	5.6
139.03911	6.9
141.05467	22.6
142.05800	0.6
149.07111	1.2
152.01053	0.9
153.01833	8.4
154.02307	0.5
157.05017	0.9
166.74629	0.4
167.03401	17.7
167.08168	0.7
168.03712	0.6
185.04445	4.7
186.07614	0.4
186.11259	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.15758	0.2
50.56021	0.3
51.73732	0.2
53.03950	1.7
55.01871	1.0
55.05511	0.5
64.03210	0.3
65.03943	13.8
67.05170	0.4
67.05500	3.3
68.99787	2.5
69.03429	0.5
69.07080	0.3
70.06600	0.6
71.04985	0.8
77.03936	0.6
79.01871	0.5
79.05496	2.1
79.87062	0.2
81.03409	0.7
81.07069	0.6
82.04196	2.8
83.04964	0.4
85.02916	0.4
86.09708	1.1
92.02612	1.7
93.03416	6.7
93.07037	0.6
94.04219	1.6
94.06518	0.3
95.04971	6.0
95.08622	0.4
97.06536	3.1
98.06036	0.4
100.07649	0.3
105.04520	0.9
107.01328	0.3
107.04939	0.6
107.06074	1.4
107.08620	0.5
108.02094	0.7
109.02888	1.8
110.03664	26.6
111.04458	14.2
111.08089	0.3
112.04752	0.5
112.07619	0.5
119.06078	0.4
121.02880	0.7
121.04011	0.9
121.06819	0.4
121.07622	2.2
121.10143	0.7
122.06024	1.1
123.04410	0.9
123.05479	0.3
124.05207	0.4
125.05994	100.0
126.03123	1.2
126.06320	3.2
127.03992	0.4
128.06239	0.4
129.06989	0.6
131.06039	0.7
131.08574	0.3
134.06007	0.3
135.05540	3.2
137.07138	0.7
138.05556	0.4
139.03882	0.4
139.11186	0.3
140.07065	1.4
140.10652	0.4
141.05463	0.9
141.06989	0.4
142.07796	1.1
143.08551	0.6
149.07129	1.9
150.05486	0.4
153.05466	80.5
154.05788	2.8
155.08556	0.8
157.10139	1.8
158.08090	0.3
167.08162	1.4
167.10707	0.3
168.06584	0.4
168.53201	0.3
170.05719	0.5
170.10876	3.3
185.08093	6.6
185.09343	0.5
185.13272	2.9
186.06023	0.3
186.07707	0.8
186.11258	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	186.0762
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
53.03946	10.6
55.01874	7.6
55.05512	14.2
56.05036	100.0
57.03431	2.9
57.60961	1.1
58.06599	2.2
58.43368	1.1
60.04523	12.7
60.52252	1.3
65.03936	1.5
67.05516	1.4
68.05022	2.9
69.03423	2.0
69.07070	2.3
70.06593	37.6
71.04990	2.0
71.28277	1.3
72.04507	3.6
72.93794	1.9
74.78399	1.0
79.05478	1.3
80.05023	11.1
81.03417	44.7
81.07064	1.2
82.03763	1.1
82.06587	6.9
83.04984	5.2
83.08579	1.1
84.04505	3.0
84.08123	2.0
86.06084	1.1
86.09709	1.1
88.02193	1.5
89.03889	2.0
94.06577	1.7
95.04973	1.5
96.04470	1.5
96.08134	9.8
97.02846	1.5
97.06493	1.3
98.06056	54.9
98.97574	1.3
99.04449	4.8
100.07624	2.0
103.05482	1.1
108.04457	1.4
109.02908	5.8
112.06836	1.3
112.07608	21.5
113.05992	2.1
114.05536	1.3
116.07087	17.1
117.03397	2.2
117.07421	1.1
121.00802	1.8
121.01655	3.7
122.06023	6.2
124.07597	1.2
126.05510	31.2
127.03932	15.1
128.07071	3.4
130.06516	2.6
131.97498	1.0
138.05521	4.1
139.01768	1.9
139.02716	1.7
140.04227	1.3
140.07051	15.5
140.10704	1.3
142.08612	3.4
143.47627	1.2
144.06555	65.4
145.02844	1.7
145.06915	2.0
150.05540	2.4
150.07524	1.4
155.03374	1.3
158.05962	1.9
158.08138	4.7
159.07080	1.5
163.01804	3.0
168.06602	3.9
181.02888	3.2
186.07628	25.9
186.09293	2.0
186.11273	3.5
187.03915	2.1
190.03050	1.3
208.62978	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	186.1126
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
54.87569	0.4
56.05040	1.1
57.03432	1.1
57.07076	14.9
61.37022	0.4
69.03450	0.8
70.29102	0.9
70.29467	1.0
74.09718	4.4
76.92849	0.5
80.63958	0.4
83.04996	0.6
84.04506	17.2
84.08184	0.5
85.02908	30.0
87.04490	1.2
95.01328	2.2
96.84798	0.5
102.05538	15.2
112.03982	2.9
112.07613	0.8
121.71307	0.4
122.06038	0.9
130.05006	100.0
131.05360	1.7
140.07051	0.9
158.11778	2.1
168.13921	0.5
186.11259	87.5
187.11592	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	186.9954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42959	0.7
57.49921	0.7
59.31855	0.6
70.01228	2.5
96.94493	1.0
98.22723	0.8
104.99277	100.0
130.28523	0.7
193.67867	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	187.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.00306	0.4
53.03947	3.8
54.87190	0.4
55.01876	3.7
55.05514	24.0
56.05844	0.5
57.07088	0.8
58.99590	12.6
59.96734	0.9
61.01154	14.7
65.03950	1.8
66.04724	0.7
66.40314	0.4
67.05154	0.3
67.05478	2.0
69.03426	0.6
69.05128	1.3
69.05547	2.1
69.07069	8.8
70.06598	0.4
73.01145	40.4
73.02923	1.2
79.05498	39.8
80.05859	0.8
81.03438	0.9
81.07061	100.0
82.06600	0.5
82.07393	2.4
83.04963	0.4
83.08628	0.7
85.01132	1.8
85.06574	0.4
86.09716	1.2
87.02695	4.8
88.02219	1.7
89.00634	0.6
91.05473	2.8
93.07037	1.1
95.04977	0.8
95.08604	0.6
99.02684	0.8
103.05453	0.8
105.07037	3.3
107.08597	1.6
109.10135	0.9
113.04247	2.1
115.05819	5.2
116.06223	0.5
117.07014	1.6
118.06533	1.9
119.08584	3.0
127.05741	0.7
128.06233	0.5
129.07004	2.7
130.07799	0.8
131.08571	6.2
133.10129	1.5
141.07149	0.4
143.08559	1.2
144.05719	0.5
144.08212	0.8
144.09341	4.4
145.10146	6.8
146.05997	1.9
146.91850	0.4
151.11127	0.5
157.06456	0.5
157.10092	0.5
159.06961	0.9
159.08115	1.1
159.11688	7.9
169.10043	0.8
172.05139	0.6
172.08830	3.2
172.12498	0.6
187.03902	1.2
187.07617	3.1
187.11147	17.5
187.12672	1.0
187.14803	4.2
188.06898	0.7
188.11465	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	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
58.14954	0.2
67.05515	1.2
68.50178	0.2
69.03408	0.2
69.04008	0.5
69.04408	1.8
79.05476	0.3
80.16441	0.2
81.07056	0.5
85.02887	0.2
88.02214	0.9
91.05481	2.8
93.07063	0.3
93.59283	0.2
95.05022	0.3
98.23357	0.5
101.26624	0.3
103.05483	0.3
105.07030	6.4
107.08546	0.3
115.05447	1.1
116.06238	0.7
117.07023	4.2
118.06506	0.5
119.08584	11.2
119.33445	0.2
120.08913	0.4
128.06218	1.9
129.07001	11.5
130.07843	1.5
131.08568	8.9
131.09317	0.1
132.08929	0.4
141.06979	0.6
142.07733	1.2
143.08556	2.3
144.05751	0.5
144.09338	18.8
145.06480	1.0
145.10164	2.4
146.06009	0.5
147.08020	0.5
154.07773	1.0
157.06488	1.3
157.10161	2.3
158.07269	0.7
159.06944	0.7
159.08070	1.8
159.11688	29.8
159.50005	0.3
160.12018	1.4
169.10130	2.3
171.08018	0.8
172.08832	10.3
173.09210	0.6
185.09621	0.4
186.10417	0.6
187.11179	100.0
188.07002	0.3
188.11530	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	187.1331
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
53.03958	4.9
55.05508	7.2
66.10641	4.4
67.05511	58.3
69.03433	15.7
69.07076	10.5
71.05003	62.6
71.27788	5.2
71.28206	6.6
71.89391	4.0
79.05494	14.4
81.03415	16.4
81.07059	45.5
83.04992	6.5
83.08640	4.6
85.02911	11.9
85.06544	68.3
88.02216	24.2
91.05489	37.6
93.07059	13.0
95.05019	4.9
95.08637	4.6
99.04464	4.5
100.64138	4.3
105.07034	43.1
107.08604	26.3
109.06501	6.4
109.10162	40.5
113.05988	6.0
115.05447	5.3
117.06980	8.3
118.06590	6.2
119.08607	8.1
123.11687	9.1
127.03948	5.1
129.06970	7.9
131.08568	26.3
133.10139	59.6
143.08627	8.6
144.05713	33.8
145.06497	4.7
145.10132	44.6
149.35980	4.5
151.11177	20.2
159.06966	18.5
159.08110	15.7
159.11737	14.3
169.12312	5.7
172.05223	25.3
187.06088	6.8
187.07553	100.0
187.11179	13.6
187.13097	8.2
187.14748	40.0
188.07030	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63977	0.3
54.26870	0.3
71.33141	0.5
74.82585	0.3
89.03907	0.4
91.05473	5.8
103.05478	0.4
114.45354	0.3
115.05450	6.4
117.05793	1.7
117.07020	4.3
118.06538	71.4
119.06865	2.1
119.77219	0.4
132.08086	0.7
142.06526	6.6
143.07304	12.5
144.04460	0.9
144.08083	24.8
145.06520	0.6
145.08415	1.2
146.06003	100.0
147.06371	3.1
155.06059	1.1
160.07549	1.3
170.05998	8.1
171.06377	0.5
187.30725	0.3
188.07063	18.8
189.07314	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.07089	0.5
62.06110	0.5
70.06595	0.7
71.30701	0.6
79.24637	0.3
91.05481	4.7
95.70245	0.3
103.05455	0.7
105.07018	0.5
115.05457	8.1
116.06318	0.4
117.05748	1.3
117.07039	4.2
118.06549	72.1
119.06876	2.1
119.08652	0.5
128.04997	0.4
128.07109	0.5
132.08058	0.6
142.06532	9.0
143.07324	12.4
144.04495	0.9
144.08099	25.0
145.06432	0.6
145.08414	0.8
146.06015	100.0
146.91849	0.6
147.06381	3.9
155.06094	0.9
160.07571	1.2
170.06026	18.7
171.06374	0.9
171.07957	0.4
175.22173	0.4
182.82896	0.3
188.07065	23.4
188.15189	0.6
189.05623	0.3
189.07411	1.6
189.09001	0.7
189.16451	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
67.45676	0.3
69.09108	2.1
91.05481	5.2
92.25194	0.3
99.72675	0.2
103.05488	0.6
115.05451	5.2
116.05002	0.2
117.05766	1.6
117.07013	4.8
118.06544	71.1
119.06877	2.1
121.06435	0.3
130.79399	0.3
132.08095	0.9
135.22083	0.2
142.06522	6.2
143.07314	11.7
144.04439	1.2
144.08090	22.9
144.49257	0.3
145.06473	0.9
145.08444	0.9
146.06010	100.0
147.06375	3.8
154.86440	0.3
155.06017	1.0
160.07579	1.2
170.06020	8.2
171.06371	0.3
179.24004	0.3
188.07069	19.4
189.07478	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	188.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
56.05034	0.3
57.07071	1.4
60.04517	0.3
70.65337	0.6
72.04520	0.3
79.05479	0.3
86.06076	0.9
86.09708	100.0
87.10028	2.1
91.05496	0.9
97.65371	0.3
105.07029	0.8
115.05491	0.3
116.10712	0.6
117.06983	0.4
118.06541	2.3
119.04898	0.4
119.08620	0.7
121.93935	0.3
128.06259	0.7
128.10721	34.1
129.07013	1.1
129.11050	1.3
131.08528	0.6
132.13319	0.3
133.10170	0.8
138.47990	0.3
143.07353	0.4
143.08597	0.3
144.08081	0.9
146.06026	2.8
146.07231	0.8
146.11760	15.6
147.12041	0.5
148.05258	0.4
157.06479	0.5
161.05997	1.6
161.09619	2.8
161.13266	0.3
170.06035	0.7
170.11771	15.5
171.11810	0.3
174.06830	1.0
174.10451	0.3
188.07130	1.0
188.09207	0.3
188.10919	0.4
188.12843	0.8
189.09079	3.6
189.12791	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	189.0912
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05531	0.4
60.05661	1.1
67.05512	0.8
68.73971	0.4
69.07063	0.7
69.17870	2.9
70.06599	5.7
79.05505	1.2
81.07057	1.0
83.38589	0.4
84.08170	0.6
91.05490	5.7
93.07038	0.6
95.04977	0.6
95.08632	1.0
103.05476	2.3
105.07032	5.3
107.04970	1.2
107.08607	1.2
109.10176	0.6
115.05464	2.3
116.06244	1.0
116.07063	0.7
117.07013	2.4
118.04217	0.5
118.07804	0.5
119.04953	1.8
119.08597	4.2
121.06536	1.5
127.05428	0.4
128.05272	0.8
128.06230	19.7
129.07016	49.3
130.07243	0.8
130.07747	1.4
130.08687	1.5
131.04930	7.7
131.08577	9.5
131.09503	0.7
132.08875	0.5
133.06482	1.1
133.10127	3.6
141.07018	1.0
142.07735	0.4
142.98708	0.4
143.04939	0.5
143.08569	2.7
144.05701	1.0
145.06499	5.5
145.10100	1.0
146.03651	0.9
146.07277	8.4
147.04381	0.6
147.08070	1.4
147.11778	1.8
148.05168	1.4
148.35788	0.4
155.06053	3.1
156.05746	0.7
156.09384	1.0
157.06499	23.7
158.07280	10.2
159.04425	4.6
159.08047	1.4
160.08990	0.5
161.05986	10.0
161.09624	14.7
161.13300	0.9
162.10043	0.4
171.08075	1.5
171.11714	1.5
173.05984	1.3
174.06773	68.5
175.07149	3.1
189.09114	100.0
189.16350	3.3
190.09482	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.91634	0.4
55.05517	0.7
55.49467	0.4
60.05639	0.8
67.05506	0.5
69.03442	0.4
69.07073	2.7
70.06592	2.6
71.30659	0.6
81.07055	1.3
83.08628	0.6
91.05003	0.5
91.05478	2.8
93.06999	0.5
95.08633	1.2
103.05475	1.3
105.07039	6.3
107.04916	0.4
107.08613	0.9
109.10201	0.5
115.05460	1.7
116.06288	0.6
117.07034	1.7
118.07802	0.7
119.04958	0.4
119.08583	6.6
127.05469	0.4
128.05243	0.5
128.06226	17.2
129.07013	50.9
130.07401	1.5
130.08672	0.8
131.04939	4.9
131.08577	11.4
132.08917	0.6
133.06482	0.8
133.10143	5.2
141.06985	0.5
143.08575	1.8
144.05721	1.1
145.06477	4.4
145.10098	2.2
146.03670	0.5
146.07283	5.7
146.10936	2.3
147.11674	4.0
155.06030	2.4
156.05612	0.5
157.06496	26.3
158.07285	11.0
159.04424	4.1
159.07959	0.8
161.05995	1.5
161.09625	4.6
161.13252	0.9
171.08051	0.7
171.11739	0.6
173.06013	0.9
174.06772	69.1
175.07121	2.9
189.09109	100.0
189.16374	8.0
190.09460	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.01614	1.5
50.54108	1.2
53.03939	4.4
55.01875	6.9
55.05497	5.5
60.05658	1.7
65.03920	3.8
66.46831	1.3
66.65767	1.2
67.05506	7.2
69.03423	6.9
69.07063	3.6
70.06586	5.4
70.33302	2.8
77.03928	1.4
79.05500	15.6
81.03409	4.4
81.07065	14.6
83.04971	2.8
84.04497	2.4
84.08145	2.1
91.05485	43.0
92.05814	2.1
93.07056	14.5
95.04964	11.9
95.08615	8.2
96.05739	7.3
97.06511	1.6
103.05459	5.2
104.78108	1.3
105.03387	1.4
105.07034	86.8
106.07378	3.2
107.04947	7.0
107.08603	9.0
109.02887	2.2
109.06530	6.2
109.10157	3.1
115.05454	8.8
116.98650	1.4
117.07018	17.9
118.06544	1.6
119.04928	6.6
119.08583	66.0
121.06511	20.2
121.10133	3.0
123.08069	2.1
127.05410	1.6
128.06219	40.8
128.07109	2.9
129.07018	25.4
130.07774	6.1
130.08665	2.2
131.04933	5.9
131.08562	12.0
132.05696	4.5
133.02844	2.1
133.06516	21.6
133.10132	45.8
134.10524	1.6
135.08043	2.7
141.07027	3.5
142.07816	2.4
143.08566	56.4
143.09674	3.2
144.08955	2.4
145.06503	10.7
145.10130	22.5
146.07257	20.6
147.08051	70.2
147.11697	19.3
149.02353	3.0
153.07034	1.6
155.06013	2.4
156.09328	9.0
157.06494	1.7
159.08018	3.9
159.11668	1.6
160.08823	1.8
161.05991	9.2
161.09624	89.2
161.13242	7.6
162.09964	4.9
171.08064	21.4
171.11684	16.9
174.06761	44.8
174.10367	3.9
189.05417	3.1
189.09106	100.0
189.12726	57.2
189.16338	13.5
190.09390	2.1
195.34872	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.40751	0.2
51.13891	0.2
60.05656	0.3
66.23399	0.2
68.99788	0.3
69.09059	2.2
70.06607	0.6
78.41999	0.2
91.05484	1.5
98.23476	0.4
103.05473	1.2
104.06253	0.3
105.06995	1.7
115.05468	1.6
116.06252	0.7
117.07050	0.9
118.07840	0.5
119.04977	0.3
119.08595	1.0
127.05494	0.4
128.06232	14.9
129.07014	46.7
130.07411	1.1
130.07739	1.1
131.04930	5.5
131.08572	6.7
133.06488	0.7
133.10143	1.6
141.06999	0.6
143.08540	1.9
144.05730	0.4
145.06480	3.9
145.10159	0.2
146.03642	0.4
146.07277	6.5
147.04472	0.3
147.11636	0.3
155.06030	2.3
156.05710	0.7
157.06499	22.1
158.07288	10.7
159.04420	4.2
159.07983	0.5
160.08766	0.3
161.05975	2.0
161.09631	4.5
169.07550	0.4
171.08037	0.5
173.06018	1.2
174.06772	70.9
175.07097	3.0
189.09111	100.0
190.09477	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	189.0911
Annotation	(E,E)-2,8-Decadiene-4,6-diyn-1-ol acetate
Peak:m/z	Relative Intensity
58.97056	0.5
60.05663	2.1
62.80875	0.6
65.03949	0.6
67.05515	1.2
69.03419	0.8
69.07069	1.3
70.06591	9.3
74.07215	0.7
79.05518	1.0
81.03470	0.7
81.07066	1.7
91.05473	3.4
93.07041	1.4
95.08616	2.3
96.87344	0.6
98.23306	1.2
103.05469	2.2
105.07035	7.0
107.04908	0.7
107.08617	1.6
109.02870	0.8
109.10150	1.0
115.05444	3.0
116.06256	0.8
116.07056	0.8
117.07023	1.9
119.04966	1.5
119.08570	5.9
124.05200	1.1
124.22782	0.6
127.05456	1.0
128.05237	1.3
128.06224	36.3
129.07008	100.0
130.07257	3.0
130.08586	2.8
131.04932	5.1
131.08565	6.2
133.02855	0.8
133.06493	1.0
133.10130	5.4
137.06029	0.7
143.08611	1.8
144.05728	0.9
145.06470	5.7
145.10170	1.5
146.03630	1.6
146.07294	4.9
147.04428	1.2
147.08086	1.7
147.11717	3.4
155.06059	5.7
157.06494	65.8
158.07233	6.8
159.04407	3.9
159.08037	1.1
161.05962	5.9
161.09575	3.7
161.13293	1.2
171.07948	0.8
171.11604	1.2
172.10789	0.8
173.06041	0.9
174.06761	48.1
175.07062	1.2
189.09102	77.8
189.16368	5.2
190.09505	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	189.1235
Annotation	N6-Acetyl-L-lysine
Peak:m/z	Relative Intensity
55.05511	3.7
56.05032	2.3
57.04563	3.8
58.06607	1.3
60.05664	1.9
60.08166	20.5
67.05507	3.0
68.05019	0.7
69.03442	1.3
69.07069	2.5
70.06594	46.0
71.05003	0.8
71.06918	0.9
71.28759	0.4
72.08157	29.7
73.08495	0.8
74.02431	0.6
74.07206	14.2
74.07629	0.7
82.34563	0.3
83.16250	0.3
84.04507	0.4
84.08145	89.2
84.96033	0.3
85.06541	1.1
85.08479	1.9
85.97994	0.3
86.06071	2.3
86.09707	100.0
87.10029	2.0
88.07632	0.7
91.05544	0.4
98.06055	0.3
98.97578	0.6
100.07619	0.4
101.02421	0.4
112.08727	1.5
115.08697	2.3
116.07094	14.2
116.98563	0.4
117.07285	0.2
119.03421	0.3
125.05965	0.3
126.10273	0.8
126.12780	0.5
130.08643	34.7
131.08963	0.6
133.06413	0.4
133.09732	1.3
139.00270	0.3
143.03360	0.4
143.08633	0.4
144.10240	0.7
144.11319	6.3
144.13835	4.0
158.09259	2.2
161.05974	0.4
161.09613	0.4
171.08131	0.4
172.10838	2.6
172.15192	0.4
189.08980	0.6
189.13434	11.2
189.15956	13.3
189.17769	0.7
190.04985	0.5
190.16295	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
57.07058	0.8
59.04969	0.5
65.03934	0.7
67.05505	3.5
69.03428	7.1
69.07079	3.2
69.37584	1.1
69.37988	1.9
72.08156	1.5
72.40311	0.6
79.05490	5.1
81.07065	4.7
83.04958	1.6
91.05481	9.9
92.05815	0.5
92.15770	0.5
93.07047	4.5
95.04974	3.0
95.08606	0.7
102.41115	0.6
103.05459	1.3
105.07029	25.3
106.07317	0.7
106.10498	0.5
107.08616	4.6
109.06516	1.4
115.05426	0.9
116.06260	0.7
117.07040	4.1
119.04914	2.0
119.08581	46.9
120.08924	1.7
121.06499	3.0
121.10145	2.3
127.02885	0.6
128.06233	2.1
128.54826	0.5
129.07013	3.8
131.04929	0.6
131.08569	11.0
132.05785	1.2
133.06496	4.5
133.10130	17.4
134.10457	1.1
135.08051	6.1
136.08395	0.7
141.07004	4.0
142.07794	0.8
143.08574	4.6
144.09145	0.6
145.06503	3.8
145.10138	4.9
146.07260	2.1
146.10909	1.5
147.08047	20.9
147.11691	18.4
148.08426	0.8
148.11993	1.2
149.09634	1.0
155.08591	0.6
156.09357	17.3
157.09662	0.6
159.08051	19.5
159.11690	2.3
159.35738	0.5
160.08849	7.0
161.05952	1.1
161.09634	11.5
161.13260	25.5
162.13603	0.9
171.11685	17.9
172.12080	0.9
173.07175	0.6
173.09552	1.7
174.07977	1.2
174.10403	36.3
175.10706	1.4
189.10092	2.6
189.12747	100.0
190.13095	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	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60435	2.0
55.01847	2.6
69.03437	3.9
69.07076	3.0
69.18992	6.4
69.19394	7.2
79.05477	8.5
87.83532	2.1
91.05505	12.4
91.24296	2.8
91.96105	2.3
93.07047	3.3
95.04958	3.0
97.06554	2.4
99.41953	2.0
105.07040	37.5
107.04962	57.7
107.08608	4.7
108.05298	2.9
115.05461	8.8
117.07030	7.5
119.08591	52.0
121.06466	2.6
128.06204	3.5
129.07022	8.1
130.07793	7.6
131.08542	11.7
133.06503	21.7
133.10130	6.9
141.06981	9.5
143.08589	10.8
145.06462	2.9
145.10133	40.0
146.10710	3.6
147.08057	8.3
147.11696	28.9
155.08583	4.7
156.09361	49.5
157.09665	2.9
159.08041	8.0
159.11690	9.1
160.08949	3.5
161.05977	27.8
161.09534	4.3
161.13272	5.1
162.06383	2.1
171.11700	63.9
171.13103	3.8
172.12102	2.5
174.10384	11.3
189.05470	12.8
189.12759	100.0
189.16368	3.0
190.13190	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73574	2.5
55.01885	2.8
69.03439	4.9
69.07059	4.2
69.13828	18.4
79.05489	5.8
91.05481	16.4
93.07038	3.9
95.04979	4.1
97.06521	3.3
98.23495	3.2
103.05452	5.0
105.06392	3.9
105.07035	45.1
107.04958	93.8
107.08553	4.0
107.26760	2.9
115.05469	13.8
117.07011	6.4
119.08584	51.9
121.06521	2.6
128.06270	5.6
129.06972	5.6
130.07765	9.7
131.08551	9.2
133.06500	36.0
133.10129	6.6
135.04453	4.5
141.06955	8.0
143.08554	10.9
145.10127	42.1
147.08038	9.9
147.11678	32.5
152.69481	2.8
155.08531	3.8
156.09348	59.1
159.08061	5.7
159.11661	7.6
160.08849	5.0
161.05986	44.0
161.09512	5.3
161.13153	3.4
162.06339	4.0
171.11710	69.7
172.12093	3.4
174.10388	9.4
189.05426	27.0
189.09070	3.4
189.12740	100.0
189.16339	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	189.1347
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
50.17805	0.4
56.05045	0.5
57.04565	8.0
60.05645	3.0
60.08166	7.4
64.68127	0.4
67.05507	0.8
70.06593	100.0
70.57307	1.0
71.05003	2.2
71.06928	1.4
72.08158	5.6
74.07204	27.3
84.08146	30.4
85.06573	0.4
85.08482	0.7
88.07638	1.3
91.53355	0.4
97.07621	0.7
98.06029	0.5
101.02352	0.4
112.08727	3.2
115.08691	5.0
116.07094	34.2
117.07430	0.7
126.10321	1.2
130.08646	13.7
133.09731	2.7
144.11320	16.6
144.13780	1.0
147.04181	0.4
158.09247	5.3
170.08910	0.4
171.12367	0.8
172.10831	5.4
189.13470	25.6
189.15956	3.5
190.13690	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	189.1347
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
55.01876	0.4
56.05030	1.9
57.03450	0.4
57.04565	9.0
58.06609	0.5
60.08170	20.5
61.08508	0.4
67.05517	3.2
69.88713	1.2
70.06599	96.6
71.01343	0.4
71.05003	2.1
71.06916	1.2
71.71807	0.4
71.94927	0.3
72.08164	8.1
74.02440	0.5
74.07209	30.0
78.90756	0.3
78.95635	0.8
82.06590	0.4
84.04504	1.1
84.08150	100.0
85.06548	1.0
85.08480	2.1
86.06066	0.8
86.09710	0.8
88.07631	1.2
91.54166	0.4
93.20396	0.3
94.93023	3.0
97.07693	0.5
98.06046	1.1
100.07609	1.4
101.02390	0.6
102.05580	0.4
102.09190	0.4
112.07563	0.6
112.08726	2.0
113.07105	0.4
114.10339	0.4
115.08699	6.9
116.07101	32.9
117.07467	0.5
119.01968	0.4
126.05508	0.8
126.08292	0.5
126.09149	6.9
126.10252	1.3
127.08678	0.5
129.10204	1.1
130.04997	1.9
130.08650	32.0
131.08998	0.7
132.06557	0.7
133.09741	2.7
144.11322	15.5
144.13791	2.7
154.04903	0.3
157.01346	0.6
158.09248	4.4
171.12386	0.6
172.10849	5.2
189.13445	24.3
189.15965	11.4
190.13777	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	189.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.5
57.04563	9.9
58.29105	0.5
60.05667	0.9
60.08168	7.0
67.05509	0.5
69.46641	2.0
70.06595	100.0
71.04993	2.4
71.06931	1.3
72.08160	5.8
74.07206	30.3
74.23955	0.4
78.95637	0.6
84.08145	27.8
85.02921	0.6
85.06551	0.6
85.08479	0.4
88.07637	1.7
94.93015	1.8
97.07652	0.7
98.06094	0.5
109.87122	0.4
112.08715	2.8
112.09224	0.3
115.08695	6.0
116.07096	36.3
117.07425	0.6
125.40220	0.3
126.10280	1.4
126.24884	0.4
130.04102	0.3
130.05022	1.3
130.08649	10.5
133.09769	2.5
144.11320	18.0
144.13794	0.6
158.09256	6.4
160.08441	0.4
171.12480	0.8
172.10832	5.4
183.11349	0.4
189.13472	28.1
189.15945	3.8
190.13741	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	189.1599
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
50.41159	0.1
50.43234	0.1
51.42032	0.1
51.57500	0.1
55.05508	0.2
56.05035	1.7
57.03429	0.1
57.07073	0.2
58.06602	0.2
59.07382	0.1
60.08164	23.2
61.08500	0.2
65.03933	0.1
67.05506	2.9
69.05824	0.1
69.07063	0.4
69.39075	0.2
69.39474	0.2
70.06567	0.1
74.02451	0.5
74.85887	0.1
76.45815	0.1
78.95629	0.3
84.08142	100.0
85.06543	1.3
85.07925	0.1
85.08472	1.6
86.09710	0.7
94.93024	1.5
102.09183	0.3
109.91704	0.2
112.07611	0.2
113.06002	0.1
128.14409	0.1
130.08640	35.0
131.08974	0.6
141.42200	0.1
144.13835	3.2
189.15977	14.1
190.16313	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	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03936	1.0
53.22020	1.1
55.05515	8.4
57.07065	3.1
60.05657	1.4
65.03940	1.1
67.05506	10.1
69.07072	13.7
70.06586	3.9
70.29361	1.2
70.77735	1.0
71.29983	1.2
71.93648	1.1
77.03887	1.0
77.87219	1.0
79.05502	7.6
81.03401	1.1
81.06582	1.9
81.07060	28.0
83.08612	3.8
84.08184	1.2
85.68002	1.0
91.04966	1.8
91.05481	17.7
93.07030	8.1
95.08607	35.9
105.07034	53.3
106.07347	1.5
107.08592	16.5
109.10155	11.5
115.05473	1.0
117.06995	3.4
119.08584	93.8
120.08911	3.9
121.10143	9.3
124.97647	1.1
128.06226	1.5
129.07031	2.0
131.08566	13.0
132.09048	1.0
133.10129	74.6
134.10802	1.0
143.08551	3.3
145.06468	1.2
145.10104	8.4
146.10890	6.3
147.04413	1.4
147.08055	4.1
147.11690	52.0
149.02330	2.4
154.41051	1.1
156.09383	1.2
159.11728	4.7
160.12456	2.5
161.06024	1.5
161.09645	2.5
161.13269	13.6
161.58527	1.0
171.05621	1.3
171.07988	1.2
171.11681	1.8
174.06664	2.0
174.10320	1.7
174.14011	2.5
189.06677	1.9
189.08943	5.4
189.12727	12.7
189.16389	100.0
190.04947	1.8
190.08553	2.1
190.16725	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	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96564	0.3
61.98021	0.2
69.07053	0.2
70.60742	0.3
79.05502	0.4
83.05042	0.2
84.73431	0.2
89.03920	1.5
91.05499	0.4
94.94500	0.2
98.97591	0.3
104.49336	0.2
107.04941	0.3
116.04981	3.5
116.98597	0.3
117.03323	0.2
118.06485	0.2
119.08611	0.2
131.08571	0.4
132.04436	0.5
134.06041	0.3
135.04431	0.3
135.08107	0.2
144.04402	1.1
144.08115	0.3
145.06505	0.2
146.05992	0.4
149.01282	0.3
162.05501	100.0
163.03822	0.4
163.05858	4.0
164.05901	0.3
172.03984	0.5
172.07596	0.2
172.85022	0.2
190.04988	31.2
190.08636	0.9
191.03549	0.4
191.05327	1.8
191.08205	0.3
191.14287	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99072	0.5
55.05509	0.5
56.96554	0.4
57.07076	26.9
57.75167	0.4
59.99112	6.0
62.99066	0.7
67.05487	0.4
69.88062	1.5
78.00155	42.9
79.05490	1.1
81.07076	0.7
84.08130	0.9
86.09708	10.3
88.02216	0.9
91.05481	1.1
92.01675	1.1
93.07043	1.0
105.07018	1.4
106.07388	0.4
107.08588	1.4
113.66117	0.4
116.05302	0.9
117.07047	0.5
120.05579	0.5
120.08916	0.5
121.06522	0.6
121.10123	0.6
131.08592	0.7
134.06354	50.8
135.11693	0.7
145.10117	1.3
148.07883	3.4
149.02336	1.0
155.28165	0.4
159.03331	0.4
162.05476	0.5
173.09541	0.5
176.04839	0.5
190.12605	100.0
191.08249	0.8
191.10626	1.2
191.12885	3.6
191.14371	1.4
191.18045	0.4
194.78532	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03954	2.0
55.01875	5.3
55.05508	2.6
56.91283	0.6
57.03440	1.5
65.03948	0.9
67.05503	9.2
69.03425	1.3
69.07069	1.0
69.38823	4.5
70.95897	0.6
71.04996	2.8
73.11639	0.6
77.03917	1.2
79.05491	22.1
81.03427	1.4
81.07063	3.3
83.04970	5.7
91.05480	34.0
93.07042	12.6
95.04974	6.4
95.08604	1.6
96.05773	0.8
97.06516	1.7
103.05495	3.6
103.38218	0.7
105.03419	1.4
105.07032	20.9
107.04958	12.5
107.08591	16.6
108.05727	1.0
109.06522	5.3
112.04430	0.6
115.05448	2.6
116.06213	3.3
117.07018	19.3
119.08587	17.5
121.06503	13.1
121.10146	7.3
123.08083	0.8
128.06223	1.4
129.07004	12.2
130.07793	6.9
131.08566	100.0
132.04466	0.7
132.08925	2.6
133.06467	1.5
133.10143	4.0
135.04414	4.6
135.08052	4.6
135.11699	2.2
143.08553	3.6
145.06491	10.8
145.10118	50.2
146.06047	1.8
146.10481	1.4
147.08052	17.4
147.11711	1.2
149.05980	3.7
149.09613	24.8
153.06952	1.6
155.06058	0.7
155.08574	5.7
158.07245	1.9
161.09639	1.0
163.03896	3.5
163.06239	1.4
163.07545	23.3
163.09901	1.2
163.11168	8.9
167.07060	1.6
173.09618	32.2
173.13289	1.7
191.03407	3.6
191.10661	82.9
192.06494	0.8
192.11018	2.0
200.49139	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03944	2.2
55.01857	3.5
55.05510	2.4
57.03445	1.4
58.82018	0.8
65.67934	0.9
67.05498	6.4
69.32578	4.3
71.04992	1.4
77.03907	0.8
79.05072	1.3
79.05496	19.4
81.03401	1.5
81.07035	2.3
83.04969	4.1
91.05478	34.6
93.07048	11.2
95.04975	4.9
96.05743	1.1
98.23383	1.0
103.05449	2.2
105.06385	1.7
105.07032	20.0
107.04961	10.4
107.08601	14.3
108.05736	1.2
109.06500	2.8
109.11816	0.8
115.05445	2.5
116.06225	4.3
117.07022	18.6
119.08582	17.4
121.06501	9.8
121.10137	4.8
123.08046	1.3
128.06258	2.1
129.06996	10.9
130.07794	7.6
131.08566	100.0
132.08902	3.3
133.06519	1.1
133.10185	0.9
135.04422	3.5
135.08041	3.5
135.11714	1.6
143.08559	3.0
145.06502	10.1
145.10118	52.0
146.10497	1.2
147.08051	14.0
148.88487	0.8
149.05940	2.9
149.09616	21.6
153.06993	1.1
155.08531	5.6
163.07549	22.6
163.11162	9.2
173.09616	28.2
191.10663	74.4
192.11029	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03957	1.6
55.01873	0.8
55.05507	4.1
56.96562	0.9
57.03446	1.1
57.07074	2.0
59.05003	1.1
61.12112	0.7
65.03945	0.9
67.05499	4.5
69.03427	2.3
69.07071	10.4
69.16285	3.2
69.16687	1.4
71.04996	1.6
75.53104	0.7
78.60926	0.7
79.05495	18.1
81.07060	8.1
83.04997	2.2
83.08628	4.5
85.06567	1.6
91.05480	20.7
92.05789	0.8
93.07049	16.7
95.04974	3.0
95.08600	9.1
97.06555	3.6
103.05490	1.7
105.07033	27.1
106.06559	1.8
106.07310	0.9
107.04962	1.8
107.08595	100.0
108.08936	2.5
109.06532	4.6
109.10167	3.9
111.59400	0.7
115.05481	2.4
116.06261	1.8
117.07010	6.3
118.06500	0.7
119.04935	0.9
119.06075	1.1
119.08588	26.7
119.09445	1.6
121.06500	9.7
121.10145	36.5
122.10522	1.0
123.08070	2.2
129.07018	3.5
130.07790	2.3
131.08572	36.6
132.04459	1.3
132.08910	1.3
133.10132	37.6
134.10466	1.6
135.08061	9.0
135.11697	13.6
143.08559	6.8
143.17856	0.7
144.09343	2.8
145.06490	1.1
145.10120	16.7
146.05978	5.6
147.04407	0.8
147.08041	1.2
147.11678	9.0
147.12737	0.7
149.09619	4.0
149.13269	11.5
158.10919	10.0
162.05466	3.2
163.03900	2.3
163.07680	0.9
163.11156	2.3
163.14818	12.7
171.11697	1.2
173.05978	3.2
173.07266	1.3
173.09615	1.4
173.13263	42.1
174.05504	1.6
174.13583	2.3
176.12004	0.7
191.03369	1.8
191.05457	0.7
191.06995	2.4
191.10669	3.8
191.14307	82.9
192.06583	2.6
192.14766	4.4
201.48328	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03948	1.4
55.01873	1.8
55.05516	5.3
57.03441	1.5
57.07079	1.6
59.05008	1.9
65.03945	0.7
67.05519	5.9
69.03432	10.3
69.07076	9.0
69.31922	3.8
71.05003	3.3
79.05495	24.4
81.07063	9.9
83.04976	4.8
83.08628	3.1
85.06554	3.2
87.00837	2.4
91.05482	17.8
93.07050	13.1
95.04961	4.5
95.08615	12.5
97.06535	8.1
98.22688	1.3
103.05463	1.4
105.07037	29.8
106.06563	100.0
107.04972	1.8
107.08601	27.4
108.08927	0.8
109.06515	8.4
109.10154	5.7
109.96940	0.6
111.08083	1.6
115.05521	1.3
116.06231	1.7
117.07021	5.5
118.07850	0.9
119.08589	16.5
121.06525	9.0
121.10149	19.8
123.08073	6.0
129.07011	3.9
130.07793	1.8
131.08578	40.7
132.04465	6.2
132.08925	1.8
132.92615	0.6
133.10136	66.7
134.10530	1.9
135.08060	15.6
135.11714	4.8
136.08875	1.4
143.08553	7.8
144.09396	3.2
145.06482	0.7
145.10127	21.4
146.06039	1.3
147.08061	1.3
147.11713	8.0
148.08833	1.0
149.09642	12.1
149.10738	1.3
149.13268	16.4
150.10306	1.3
156.09322	0.8
158.10907	13.9
159.11154	0.9
161.09630	1.9
163.07584	1.3
163.11227	4.3
163.14845	4.1
171.11688	1.5
173.09654	1.9
173.13272	54.3
174.13646	1.9
176.11990	2.5
191.10707	6.5
191.14314	75.4
192.06622	2.4
192.14624	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02371	1.3
53.03938	4.5
55.01865	3.7
55.05515	13.4
57.03426	1.9
57.07063	4.8
60.97414	1.0
62.79360	1.0
65.03936	7.0
66.78753	1.1
67.05505	13.9
69.03438	9.9
69.07074	10.6
69.44309	4.6
71.04993	3.8
77.03916	1.4
79.05495	33.5
81.07061	18.0
81.42077	1.1
83.04978	5.0
83.08611	2.6
85.06541	2.3
90.82674	1.0
91.05485	82.9
92.05803	1.9
93.07050	42.2
93.12170	1.0
95.04976	10.1
95.08610	9.0
97.06544	5.2
98.22688	2.3
103.05470	9.6
105.04494	1.7
105.07034	100.0
106.07339	2.3
107.04957	2.1
107.08596	66.9
108.08875	1.1
109.06519	10.8
109.10166	4.5
115.05458	9.9
116.06232	8.2
117.07035	35.6
119.06054	2.7
119.08585	67.1
120.08863	1.5
121.06510	24.1
121.10146	63.3
122.10517	2.8
123.08075	7.3
123.11704	1.9
128.06201	9.5
129.07011	36.5
130.07819	18.3
131.08574	82.2
132.09329	2.3
133.06476	2.9
133.10136	42.8
134.10826	1.2
135.04405	1.3
135.08058	21.4
135.11716	6.8
137.09676	1.6
141.73366	1.1
142.07782	2.5
143.08563	60.8
144.09351	14.9
145.10127	77.8
146.06010	3.2
146.10416	1.6
147.08046	3.9
147.11682	20.7
148.08813	1.4
149.05965	2.2
149.09637	10.0
149.12149	1.8
149.13268	24.2
153.18121	1.2
155.06024	1.5
155.08510	1.9
156.09309	2.7
157.10136	3.8
158.07278	2.8
158.10921	40.0
159.11310	1.1
161.09625	4.2
162.10461	1.1
163.07523	1.9
163.11185	17.4
163.14832	1.7
165.14615	1.3
166.06404	1.2
171.11705	2.8
173.09641	13.9
173.13258	44.7
191.07019	2.7
191.10663	26.3
191.14305	47.6
192.06529	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01871	2.3
55.05511	8.1
57.03446	1.9
57.07089	3.1
59.05004	1.2
64.02143	1.3
67.05500	9.8
69.03437	17.1
69.07069	11.5
69.70744	5.0
70.99721	1.1
71.04987	2.2
79.05499	20.1
81.07053	13.8
83.04976	12.6
83.08627	5.0
85.06533	3.1
91.05484	24.0
93.07050	22.2
95.04959	5.7
95.08611	16.0
97.06543	6.8
102.04678	1.9
103.05472	15.2
105.07036	36.6
107.04976	6.7
107.08600	40.8
109.06532	5.5
109.10171	10.7
115.05448	4.2
116.06280	1.5
117.07024	12.6
118.04168	3.5
118.06551	1.8
119.08585	25.8
121.06512	19.8
121.10151	28.9
123.08050	7.0
123.11665	1.7
129.07018	5.3
130.04205	1.5
130.07845	2.6
131.04938	8.6
131.08582	40.1
133.02861	2.6
133.06551	2.0
133.10136	59.4
135.04488	2.0
135.08083	19.1
135.11690	12.8
143.08531	7.8
144.09305	1.4
145.06456	4.6
145.10130	30.0
146.05997	14.4
147.04440	1.5
147.08046	6.1
147.11693	15.6
148.05188	7.8
148.07625	2.0
149.05998	1.9
149.09634	11.8
149.13245	13.4
155.08588	1.5
158.10896	11.7
161.05919	1.5
161.09631	3.8
162.05443	2.6
163.03859	3.1
163.07559	15.2
163.11243	7.3
163.14832	4.8
171.11687	1.9
173.05956	3.4
173.09607	11.4
173.13278	39.5
174.05341	1.3
174.13603	1.7
176.08322	2.7
191.03391	3.6
191.06909	11.2
191.08672	1.9
191.10670	35.3
191.14322	100.0
191.17963	6.1
192.06578	5.6
192.08482	2.2
192.10153	2.2
192.14664	2.2
192.17432	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.91396	0.8
55.01845	0.9
55.05504	3.6
57.07062	1.0
63.87344	0.9
67.05505	5.4
69.03085	1.2
69.03429	14.7
69.07082	6.3
69.23043	5.8
71.04976	0.9
79.05488	4.7
81.07071	6.3
83.04988	6.2
83.05994	0.8
83.08600	1.2
85.06547	2.2
91.05473	6.4
93.07046	6.5
95.04951	2.2
95.08608	19.8
97.06536	6.1
105.07034	9.0
107.04913	1.1
107.08601	16.5
109.06518	14.5
109.10178	4.3
111.08089	1.5
111.55010	0.7
113.59738	1.0
117.07037	2.3
119.08598	8.4
121.06517	5.1
121.10157	14.0
123.08094	4.8
129.07060	1.8
129.44612	0.8
130.07819	1.0
131.08575	16.0
133.10129	9.8
135.08054	19.5
135.11699	6.5
136.08446	0.9
137.09660	1.0
143.08554	4.9
144.09341	1.6
145.10136	7.6
147.11710	4.2
149.09618	15.2
149.13206	5.6
150.10385	3.0
157.10063	1.3
158.10909	8.7
161.09641	3.4
163.11182	6.4
163.14813	4.5
164.15189	0.8
171.11565	0.9
173.13268	43.3
174.13597	2.5
176.11978	4.3
191.14311	100.0
192.14696	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70139	1.1
53.03943	2.3
55.01893	2.5
55.05511	6.1
56.61834	1.3
57.07077	2.2
64.78111	1.1
65.03958	2.5
66.90701	1.2
67.05508	9.6
69.03427	15.8
69.07073	10.3
69.63953	5.1
71.04989	2.7
79.05497	16.7
81.07072	10.1
83.04984	8.9
83.08622	2.5
90.51005	1.1
91.05482	29.8
93.07050	21.3
95.04977	13.3
95.08618	18.8
97.06546	6.1
97.10155	1.2
103.05471	11.7
105.03418	1.2
105.07036	31.5
106.07323	1.6
107.04970	7.1
107.08601	49.2
109.06509	5.5
109.10165	6.5
110.05978	1.2
115.05472	4.2
116.06232	2.8
117.07030	14.0
118.04165	1.6
118.06518	1.2
119.04926	1.5
119.08584	22.6
121.06510	13.5
121.10150	30.7
122.89964	1.0
123.08105	5.7
127.42103	1.1
128.06131	1.9
129.07021	6.9
130.04152	1.7
130.07771	4.7
131.04921	8.2
131.08574	56.2
132.05670	1.7
132.08943	1.5
133.06532	2.6
133.10138	43.2
134.10512	1.1
135.08066	18.1
135.11705	11.0
143.08578	4.8
144.05666	1.7
144.09367	2.2
145.06470	3.2
145.10136	30.3
146.06036	6.2
147.06981	1.9
147.08060	12.3
147.11679	12.1
148.05141	2.2
148.07576	3.0
148.08722	2.0
149.01265	1.5
149.06020	1.8
149.09641	20.7
149.13260	13.0
155.08575	2.4
158.10912	8.5
159.04420	2.2
159.08078	2.8
161.09586	2.4
162.05516	2.4
163.07550	7.7
163.09947	1.1
163.11143	5.6
163.14842	5.7
164.07071	1.3
173.05977	2.8
173.09645	8.4
173.11896	2.3
173.13275	29.6
174.13586	2.0
176.04781	1.6
176.12003	2.0
182.49689	1.1
191.03337	2.7
191.06876	8.2
191.08536	1.8
191.10652	30.5
191.14319	100.0
191.17973	3.7
191.97009	1.1
192.06573	4.6
192.10126	1.9
192.14511	2.5
193.32712	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
53.60603	0.8
55.01875	2.4
55.05512	6.7
56.96553	1.3
57.03457	1.0
57.07063	3.2
67.05510	7.7
69.03085	1.3
69.03436	17.6
69.07071	12.4
71.04990	2.2
79.05497	9.9
81.07058	12.1
83.04987	13.8
83.08607	4.4
85.06558	2.2
91.05489	13.1
93.07045	14.0
95.04967	7.9
95.08607	11.1
97.06518	5.7
103.05488	3.2
104.35956	0.9
105.04495	1.1
105.07035	14.7
107.04945	2.9
107.08604	35.6
109.06511	6.1
109.10162	4.3
111.08080	2.5
115.05431	1.1
116.06277	1.3
117.07017	3.1
119.06080	1.1
119.08588	14.9
120.05737	1.0
121.05763	1.3
121.06538	16.1
121.10146	24.9
123.08067	4.3
123.11700	1.2
128.06226	1.0
129.07016	2.4
130.07791	1.0
131.04984	2.2
131.08574	21.7
133.06488	1.7
133.10141	16.8
135.08066	17.9
135.11687	7.8
137.09592	1.2
143.08531	5.0
144.09378	1.6
145.06526	1.9
145.10147	9.7
146.05890	1.6
147.08043	4.1
147.11707	11.6
148.05240	0.9
148.08817	4.2
149.01224	2.3
149.09630	11.5
149.13234	10.2
158.10950	7.5
161.09625	4.1
163.07550	2.3
163.11148	2.3
163.14842	5.5
173.09647	2.2
173.13274	21.9
176.04729	1.1
176.12012	2.3
177.12238	0.9
191.03410	1.2
191.06950	1.5
191.10715	6.8
191.14319	100.0
192.06590	2.9
192.08473	1.1
192.14632	4.4
193.13016	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
54.51049	0.9
55.01868	2.1
55.05512	6.1
56.81113	0.9
57.06065	1.0
57.07070	3.2
59.04998	1.3
67.05508	9.4
69.03435	14.8
69.07072	9.9
69.65260	4.0
71.04980	3.2
79.05499	18.3
80.30847	0.9
81.03413	1.2
81.07056	12.6
83.04988	9.0
83.08627	4.3
85.06554	1.7
91.05485	23.6
93.07050	23.1
95.04980	10.2
95.08616	17.1
97.06528	7.0
97.10164	0.9
98.38587	1.0
100.56220	0.9
103.05497	7.0
105.07035	28.0
106.07387	1.0
107.04942	4.8
107.08601	51.9
109.06535	8.6
109.10150	8.1
111.08067	2.0
115.05466	3.2
116.06205	2.7
117.07011	12.0
118.04167	1.0
118.06572	1.3
119.04977	1.4
119.08584	20.8
120.08167	1.1
121.06516	15.2
121.10139	32.9
121.81549	1.0
123.08107	5.9
123.11717	1.0
129.07013	6.3
130.04156	1.0
130.07806	3.5
131.04922	3.8
131.08572	47.5
132.08958	1.7
133.06505	3.2
133.10136	45.5
135.04436	2.4
135.08061	18.0
135.09082	1.0
135.11690	11.4
143.08548	5.3
144.09322	1.1
145.06474	3.2
145.10129	28.4
146.05992	5.1
146.10529	1.2
147.06973	1.5
147.08049	8.2
147.11690	12.8
148.05214	2.7
148.07542	1.8
148.08778	2.8
149.01329	1.4
149.05957	2.3
149.09625	15.5
149.13257	12.4
155.08528	1.6
158.10928	8.9
159.08069	2.3
160.05200	2.5
161.05919	1.3
161.09634	4.0
163.07585	7.7
163.11140	3.7
163.14886	5.7
169.69017	1.0
173.05983	2.7
173.09616	8.1
173.13275	28.8
174.05435	1.3
176.04671	1.7
176.11961	1.5
191.03368	2.3
191.06754	4.9
191.08470	1.8
191.10675	27.5
191.14319	100.0
191.17986	3.1
192.06590	4.2
192.08366	1.1
192.14674	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.02606	0.8
53.03941	1.6
55.01857	1.5
55.05515	6.3
56.96567	1.1
57.07070	3.3
58.72816	0.7
65.03938	1.5
67.05509	10.7
69.03431	13.2
69.07072	11.6
71.04995	1.9
73.01037	0.8
75.69292	0.8
79.05490	9.9
81.07066	12.4
81.93981	0.8
83.04979	9.3
83.08615	4.8
85.06572	0.9
91.05486	10.3
93.07050	15.7
95.04980	13.7
95.08607	18.1
97.06541	6.4
103.05507	1.1
105.07034	15.0
107.04944	4.7
107.08595	36.3
108.08894	0.8
109.06535	6.6
109.10168	6.2
111.08072	2.3
115.05448	1.5
117.07010	4.1
119.08582	10.1
121.06508	20.5
121.09303	1.8
121.10144	28.3
122.10459	1.5
123.08064	5.5
129.07022	2.0
130.07788	1.9
131.08578	15.6
133.06508	2.8
133.07564	0.7
133.10133	15.3
135.08060	17.9
135.11700	7.4
137.09599	1.3
143.08569	3.1
144.09311	1.9
145.07587	1.1
145.10138	11.6
146.06007	2.1
147.06975	0.9
147.08009	3.9
147.11700	13.3
148.07672	1.6
148.08830	7.4
149.01263	1.1
149.05867	0.8
149.09634	13.7
149.13266	11.5
158.10916	8.5
161.09554	0.9
162.10326	1.2
163.07573	0.9
163.09991	0.9
163.11113	4.1
163.14854	6.5
173.09680	1.4
173.13254	20.2
191.10732	5.2
191.14314	100.0
191.17963	2.6
192.06599	2.7
192.14648	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90730	1.3
53.03948	3.0
53.29150	1.4
55.01863	2.2
55.05508	8.1
56.96542	1.3
57.03429	2.2
57.07066	2.3
60.04575	1.3
65.03930	2.8
67.05499	10.0
69.03088	2.4
69.03431	32.8
69.07080	11.4
71.04983	1.7
78.21044	1.4
79.05495	16.8
79.43513	1.5
81.07056	16.1
83.04970	5.8
83.08604	3.8
83.25375	1.8
84.38032	1.4
85.44146	1.3
91.05481	20.6
92.15912	1.5
93.07044	16.1
95.04959	3.3
95.08604	13.9
95.66529	1.5
97.06525	2.9
98.23351	3.5
103.05470	3.2
105.07034	22.9
107.04940	6.7
107.08598	49.9
109.06519	3.7
109.10154	15.9
117.07042	3.6
119.08596	13.2
121.06494	6.2
121.10140	37.2
122.07229	1.8
123.08058	6.8
123.23486	1.4
129.06969	2.4
130.07660	1.4
131.00168	1.6
131.04948	1.9
131.08577	28.6
133.10129	85.7
134.10466	4.3
135.04539	1.6
135.08055	11.6
135.11700	12.7
137.09631	8.2
143.08537	7.9
144.09314	3.7
145.10123	20.0
146.05989	2.7
147.08052	2.0
147.11685	12.0
149.01231	1.5
149.09624	11.5
149.13260	21.4
158.10918	14.6
163.07555	1.6
163.11200	2.5
163.14775	7.5
173.09586	1.8
173.13271	59.2
176.12094	1.8
191.06870	1.8
191.08386	1.8
191.10640	6.5
191.14310	100.0
192.06593	3.7
192.10262	1.8
192.14600	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	192.0655
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
51.02386	0.2
57.05726	0.1
66.64994	0.2
69.41976	0.7
91.05467	0.5
103.05485	0.2
105.07014	0.4
118.06532	1.2
121.06532	0.4
128.04965	5.9
131.37386	0.2
132.04448	3.5
132.08914	0.7
133.06552	0.2
136.78511	0.2
144.82352	0.1
146.06007	100.0
147.06340	3.2
155.41240	0.2
160.05051	1.6
162.42221	0.2
174.05515	3.8
192.06366	0.4
192.07864	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	192.0656
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
51.02366	0.2
51.33191	0.1
53.03954	0.6
55.01881	0.2
69.25089	0.9
70.26296	0.1
72.04517	0.8
79.05502	0.2
81.03410	0.2
86.96527	0.1
91.05475	2.3
93.07050	3.5
95.04972	0.5
99.46204	0.2
100.62142	0.1
103.05459	3.0
105.04512	0.2
105.07033	0.7
107.04959	0.8
119.04951	0.2
119.08543	0.2
120.08115	0.7
121.06506	26.5
122.06846	0.6
125.02432	0.1
128.04964	9.8
129.05316	0.3
132.04411	0.3
133.06416	0.1
133.10118	0.4
138.81543	0.2
146.06007	100.0
147.04553	0.2
147.06352	3.6
147.11693	0.2
148.07593	0.2
164.07014	0.3
174.05507	1.1
174.09103	0.3
192.06551	16.9
192.10144	2.4
193.04996	3.4
193.06857	0.6
193.08510	0.2
193.12325	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	192.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
62.10295	0.2
70.46400	0.4
72.93781	0.5
77.03931	0.3
77.29036	0.3
79.05498	0.3
81.03404	0.3
87.00832	2.2
90.94830	0.6
91.05473	2.2
93.07033	0.3
94.06580	0.3
95.04962	0.3
96.04560	0.3
98.22729	0.3
104.05002	1.1
105.07040	1.1
106.06554	6.0
106.07237	0.4
106.76186	0.2
109.06498	0.3
110.25204	0.2
111.23898	0.2
117.05790	0.3
118.06546	19.9
119.04996	0.3
119.06924	0.6
120.08112	0.3
121.06511	1.1
121.89007	0.2
122.06032	0.2
127.50424	0.2
130.06490	0.6
132.04456	100.0
132.95847	1.9
133.04791	2.8
133.06519	0.7
136.07613	0.3
146.06017	4.5
146.07077	0.4
147.04433	0.3
147.06741	0.6
148.07591	1.2
149.96098	0.3
150.05524	0.9
150.96892	2.7
161.05919	0.4
162.05461	0.3
164.07071	5.4
164.08368	0.5
165.05501	0.3
165.07550	0.3
167.97061	0.2
174.05515	20.6
174.08994	0.6
174.67375	0.3
175.05852	0.7
175.07367	0.4
181.35657	0.3
191.97235	0.5
192.06555	37.9
192.10008	1.6
192.13873	0.6
193.05106	0.4
193.06883	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	192.0655
Annotation	SCHEMBL115205
Peak:m/z	Relative Intensity
55.15588	0.2
60.64257	0.2
70.32504	0.3
70.32823	0.5
79.05511	0.3
87.00829	2.8
91.05484	1.5
98.22634	0.2
102.91917	0.3
103.05459	0.3
104.04993	0.9
105.04443	0.3
105.07030	0.7
106.06557	5.2
107.04983	0.3
117.05764	0.3
118.06541	20.5
119.06896	0.5
130.06517	0.4
132.04449	100.0
132.95833	0.9
133.04793	2.6
133.06425	0.3
136.07542	0.3
146.06001	4.2
147.06720	0.4
148.07584	0.6
150.05527	0.7
150.96921	0.9
161.05923	0.5
164.07053	4.3
165.75284	0.2
174.05507	20.1
175.05827	0.5
192.06551	35.8
192.10234	0.8
193.05228	0.2
193.06868	1.3
193.08420	0.4
194.74187	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	192.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03951	1.1
53.64329	0.2
55.01878	0.3
65.03951	0.2
65.22435	0.2
66.82954	0.2
67.93066	0.2
68.09997	0.2
69.92860	0.5
72.04523	1.9
77.03932	0.4
79.05495	0.5
81.03424	0.3
81.07078	0.2
83.04993	0.4
83.33205	0.2
85.40164	0.2
85.73254	0.2
90.33521	0.2
91.05484	5.5
92.05786	0.2
93.07050	7.8
94.07397	0.3
95.04977	1.2
96.12766	0.2
98.22742	0.2
103.05476	6.1
105.04533	0.6
105.07005	1.0
107.04984	1.6
107.08592	0.2
119.04942	0.4
119.08633	0.2
119.70419	0.2
120.08118	0.7
121.06509	63.5
122.06843	1.4
128.04970	9.0
129.05321	0.4
131.08583	0.2
133.10132	0.7
146.06012	100.0
147.06372	3.0
148.07628	0.3
153.01834	0.2
160.05014	0.4
174.05486	0.9
174.09148	0.4
192.06560	16.4
192.10164	5.8
192.13904	0.3
193.05025	3.9
193.06873	0.6
193.10454	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	192.1383
Annotation	DEET
Peak:m/z	Relative Intensity
50.73805	0.2
55.01874	0.4
65.03935	1.9
67.05505	1.3
72.04520	5.8
72.08163	0.4
87.07749	0.2
91.05484	8.4
92.05808	0.2
95.04973	0.5
95.06121	0.2
95.08611	0.2
98.23480	0.3
100.07625	5.2
105.07034	0.7
109.06528	6.7
118.06525	0.3
119.04948	100.0
120.05264	2.5
133.06450	0.5
147.06882	0.2
151.30498	0.2
161.05962	0.6
171.55183	0.2
192.13837	36.3
193.08501	0.3
193.12642	0.2
193.14238	1.4
193.15726	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	193.0344
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.01870	3.2
55.05508	3.8
56.05048	1.8
56.05830	2.0
57.03445	1.7
59.04989	7.0
60.05329	3.6
61.02922	3.7
62.99067	2.0
64.69441	1.6
66.86259	1.5
67.05499	2.8
67.85547	1.6
68.05023	3.3
68.99792	50.0
69.03409	4.0
69.07052	2.3
69.24464	11.8
70.06587	5.5
73.02917	2.2
81.03391	2.1
81.07053	2.6
84.08125	2.8
85.02856	1.7
87.00857	7.9
91.05468	2.8
93.07015	2.1
95.04988	3.0
95.06097	1.4
97.02870	3.8
98.09682	11.0
99.09435	3.0
99.10020	20.5
105.03755	2.5
111.00797	28.5
111.04411	2.6
114.55116	1.9
115.00290	7.6
116.10769	2.1
117.11086	5.4
119.08572	3.2
120.08127	2.1
120.99521	2.3
121.06505	1.8
124.08658	3.2
129.01840	100.0
130.02194	3.5
133.10127	2.2
133.65535	1.7
136.07545	2.5
139.00264	49.2
147.02863	6.0
147.04454	1.9
148.07564	6.5
149.02310	1.6
149.56787	1.6
157.01341	26.8
157.14214	12.5
159.50577	1.8
166.08714	1.9
175.15250	33.3
175.64682	1.9
176.02477	1.9
177.05615	1.8
193.04968	3.9
193.09723	2.8
193.16318	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
51.80739	0.2
53.03947	0.3
55.05521	0.9
57.03442	8.1
57.07085	0.3
59.05024	0.3
61.41567	0.2
65.03947	1.0
67.05508	1.9
69.07086	0.5
77.86723	0.2
79.05499	1.1
81.03408	0.4
81.07051	1.2
81.95903	0.2
83.05000	0.2
85.06548	1.3
91.05487	100.0
92.05824	1.9
93.07035	1.4
95.04984	0.7
95.08630	1.1
99.08095	3.9
103.05480	0.4
105.07043	3.8
107.08605	1.4
109.06532	0.4
109.10160	3.0
115.05479	0.5
119.04950	0.3
119.08577	1.2
121.02837	0.2
123.08102	0.4
123.11668	0.4
133.02837	0.3
133.06497	1.7
133.10129	1.2
135.11725	1.5
137.05948	1.0
137.09647	0.9
143.06020	0.3
146.06056	0.2
147.04433	0.3
147.06369	0.2
147.08069	0.3
147.11696	0.6
149.02342	0.6
150.03149	0.3
151.03963	0.3
151.11191	0.6
161.05980	1.6
165.05437	0.2
165.16472	0.2
175.11223	0.4
175.14793	0.6
178.02603	0.9
193.05005	2.8
193.06883	0.3
193.08591	6.6
193.15868	3.1
194.05231	0.2
194.15434	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03941	1.9
55.01876	4.3
55.05505	3.0
57.03437	0.5
57.07078	0.8
58.66763	0.5
65.03956	1.4
66.04717	1.0
67.05508	5.7
69.03419	1.7
69.07080	3.3
69.34238	1.2
69.34638	2.3
71.04993	0.7
74.12734	0.5
79.05495	16.1
81.03420	12.2
81.07065	6.0
83.04974	2.0
83.08626	2.9
85.06544	0.9
89.03904	1.0
90.04702	1.3
91.05489	9.6
93.07040	3.2
95.04974	5.9
95.08622	4.1
97.06532	1.8
97.10203	0.9
97.25724	0.6
98.22630	0.7
103.05474	15.2
104.06238	1.0
105.07034	100.0
106.06624	0.6
106.07325	2.5
107.04964	2.0
107.08591	4.6
109.06521	5.7
109.10131	2.8
111.08110	0.7
115.05460	22.7
118.04173	11.5
119.04955	1.1
119.08583	5.9
120.08086	0.8
121.06513	1.3
121.10167	1.9
123.04420	0.8
123.08088	2.5
123.11720	1.2
129.07014	1.5
131.04913	3.5
131.08612	2.6
132.05716	1.5
133.06497	77.3
133.10115	9.4
134.06830	1.9
135.08002	0.9
135.11679	2.0
137.05980	1.5
137.09622	2.3
143.04977	0.8
143.06027	7.1
143.07907	0.5
147.04401	0.7
147.06422	0.8
147.08037	1.5
147.11708	5.3
148.07489	1.0
149.02341	2.0
149.03447	0.7
149.05940	0.8
149.09605	1.3
149.13295	0.7
151.03835	0.7
151.07570	0.9
151.11168	5.7
151.14847	0.5
157.10129	1.0
158.10889	0.6
160.08832	0.6
161.05986	79.2
162.06352	3.2
175.11211	2.9
175.14813	1.9
193.04962	5.0
193.06900	1.0
193.08562	8.1
193.10011	0.7
193.10663	0.6
193.12254	5.3
193.15909	12.0
194.15381	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03949	1.8
55.01884	4.3
55.05511	1.0
64.48853	0.7
67.05505	1.8
70.93290	1.0
71.04984	0.7
72.08129	1.0
77.61272	0.8
79.05496	15.0
80.53143	0.6
80.66600	0.7
81.03435	1.6
81.07066	2.0
86.29523	0.7
87.04514	0.7
90.04723	1.3
91.05483	13.5
93.07053	2.6
95.04993	3.6
95.08613	1.4
97.06535	0.8
102.04698	0.8
103.05475	18.1
105.07035	100.0
106.07380	2.2
107.04964	1.2
107.08597	2.1
109.02889	1.1
109.06533	1.7
115.05464	21.0
116.05796	1.2
118.04165	11.1
119.04973	0.7
119.08599	3.6
121.06515	4.3
122.06860	6.7
123.04452	0.9
129.06927	0.9
131.04956	3.6
131.08582	2.6
132.05719	0.9
133.06499	72.9
133.10136	21.3
134.06885	2.0
135.11746	1.0
137.05972	0.9
143.04993	1.4
143.06067	6.4
146.05971	0.9
147.04478	1.6
147.06325	1.1
147.08018	1.7
147.11713	3.0
148.07547	1.0
151.07539	1.2
161.05997	79.2
162.06284	3.5
165.01852	0.8
165.09065	1.0
167.18054	0.7
175.11194	2.6
175.14917	1.2
177.05537	0.8
181.22899	0.7
193.01387	1.4
193.04973	3.0
193.06824	1.3
193.08525	9.0
193.12241	4.2
193.13860	0.8
193.15822	1.3
194.15417	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.16445	0.4
53.03945	1.2
55.01878	4.1
63.02374	0.5
64.28526	0.3
64.61735	0.3
65.03941	0.8
66.04720	0.8
67.05473	0.5
69.88004	1.5
77.03910	0.8
79.05497	14.7
79.05963	0.7
81.03413	0.6
81.07074	0.8
88.76499	0.4
89.03919	0.4
90.04708	1.4
91.05480	6.0
92.02628	0.6
93.07040	0.6
95.04984	2.6
95.08620	0.6
102.04704	0.5
103.05474	16.8
104.06326	0.7
105.07033	100.0
106.07355	2.2
107.04967	1.1
107.08589	0.5
108.04494	0.6
108.80009	0.4
109.06516	0.5
115.05457	22.9
116.05798	0.6
118.04163	12.8
119.04961	0.4
119.08600	0.8
121.02818	0.5
121.06521	0.5
131.04927	5.2
131.08574	0.7
132.05713	1.5
133.06493	85.2
133.10112	1.9
134.06833	2.4
137.05988	1.0
143.04913	1.7
143.06049	7.6
143.07198	0.4
145.02849	0.5
146.06030	1.1
147.04433	0.6
147.06343	1.5
147.08008	0.5
147.11694	0.6
148.07547	0.4
149.05962	0.9
150.06549	0.4
151.03911	0.4
160.05205	0.5
161.05981	85.9
162.06331	3.0
163.86061	0.3
165.01788	0.5
165.05397	0.8
165.07486	0.8
175.03911	1.3
175.11093	0.4
175.14885	0.5
178.04575	0.4
178.06282	0.6
193.01268	0.6
193.03462	0.4
193.05028	2.0
193.06862	1.7
193.08542	10.7
193.10144	0.7
193.12289	1.1
193.15912	0.6
194.08092	0.4
194.15392	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.21729	0.5
53.03949	1.4
53.87430	0.5
54.04186	0.5
55.01868	3.8
55.05500	0.8
57.23531	0.6
59.43143	0.6
61.38652	0.5
67.05514	1.4
69.90312	2.0
78.04693	0.8
79.05499	11.8
79.74069	0.5
79.76441	0.6
81.03419	2.9
81.07063	2.0
81.61308	0.6
83.97847	0.7
89.03918	0.7
90.04665	0.7
91.05479	6.8
93.07067	2.2
95.04976	3.0
95.08588	0.7
99.04454	0.6
103.05473	13.9
104.06271	6.0
105.07037	94.6
106.07389	1.9
107.04955	1.6
107.08598	1.6
109.06523	1.3
109.10179	1.1
115.05460	16.2
117.03423	0.6
118.04166	8.3
119.04964	1.7
119.08598	2.2
121.06504	1.2
122.03606	0.6
123.04414	0.6
123.08096	1.2
131.04913	4.7
131.08530	0.6
132.05722	5.7
133.06496	82.1
133.10114	4.6
134.06830	2.2
135.08044	0.9
135.11800	0.6
137.06003	1.1
143.04916	2.1
143.06047	6.7
147.04402	2.1
147.08072	1.0
147.11707	2.4
149.06026	3.2
150.06757	1.1
151.08803	0.6
160.05185	3.4
161.05988	56.4
162.06442	1.9
165.05530	1.1
165.09193	0.7
175.03883	1.1
175.11229	1.1
175.14919	0.7
176.06984	0.6
178.06270	4.7
180.39270	0.6
193.04999	3.2
193.08604	100.0
194.08936	2.4
194.15396	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03952	9.6
55.01860	5.2
55.05515	14.6
57.03442	71.6
58.11346	2.5
65.03947	3.8
67.05511	38.9
68.58481	2.0
69.03441	7.5
69.07062	7.2
70.80980	2.3
71.04996	5.3
72.04526	4.8
77.03957	3.0
78.06014	2.1
79.05495	30.4
81.02986	4.7
81.03429	64.8
81.07061	29.4
83.04980	7.7
83.08611	7.4
85.06550	6.8
87.04476	2.4
91.05491	74.2
92.05829	7.9
93.07048	55.1
95.04975	39.6
95.08601	18.6
97.06542	8.9
98.06060	2.8
99.08080	4.7
100.07603	3.5
103.05462	8.1
105.04503	3.0
105.07037	85.5
107.04958	5.6
107.08574	15.7
109.02959	2.3
109.06530	18.0
109.10164	22.5
110.04894	2.6
111.08064	5.2
115.05462	4.7
115.15209	2.6
116.38414	2.4
117.07018	8.6
119.04955	46.4
119.08585	100.0
120.05286	67.3
120.06216	4.3
120.08945	3.0
121.06506	50.9
121.10136	5.1
123.04417	3.9
123.08109	3.7
123.11748	2.7
129.07005	7.8
131.08577	10.6
133.06509	16.8
133.10138	62.2
135.08063	8.9
135.11740	4.0
137.05927	3.7
137.09637	42.9
142.07799	8.6
145.06516	3.8
146.07277	7.1
147.08063	16.9
147.11697	54.8
148.12021	3.0
149.02391	4.6
149.09660	5.8
149.13264	3.7
151.07651	4.3
157.10126	13.7
160.08884	8.0
161.06038	9.9
165.12756	3.9
175.11203	54.4
175.14799	9.2
193.04970	8.2
193.06747	3.3
193.10167	5.0
193.12262	42.5
193.14194	41.1
193.15968	8.1
194.08205	6.1
194.15498	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02378	1.0
53.03959	4.3
55.01873	4.7
55.05516	11.6
57.03439	2.6
65.03943	2.4
67.05505	28.6
68.90364	0.8
69.03435	3.7
69.07068	5.7
71.04993	8.3
71.28207	1.0
71.44952	1.0
72.01382	0.9
79.05497	26.1
81.03421	63.6
81.07063	21.3
83.04977	6.2
83.08617	9.7
85.02928	1.0
85.06567	1.3
91.05484	48.9
93.07050	25.6
95.04972	31.1
95.05559	1.7
95.08601	8.4
97.02920	1.0
97.06548	2.6
97.10164	1.0
99.04488	1.1
103.05479	3.2
105.07035	63.9
106.07360	1.3
107.04961	6.0
107.08606	9.6
109.06512	5.2
109.10166	4.2
111.04483	2.5
111.08092	1.8
113.06045	1.0
115.05471	4.1
117.07029	1.9
118.04147	1.1
119.04986	1.3
119.08590	31.7
121.06510	4.3
121.10152	3.4
123.08083	2.4
123.11726	3.4
128.06258	1.5
129.07007	9.9
131.08582	16.3
133.02815	1.1
133.06522	14.2
133.10133	100.0
134.10471	2.9
135.08067	1.8
135.11731	3.4
137.06018	2.4
137.09618	1.9
137.13260	1.3
142.07808	4.4
145.10129	1.3
147.08081	6.4
147.11684	21.2
148.07532	1.2
149.09631	7.6
151.07521	1.5
151.11223	2.0
157.10114	12.5
161.05980	8.0
165.05490	0.9
165.12770	1.3
175.11194	27.6
175.14851	2.9
193.03329	1.5
193.04993	4.0
193.07100	1.4
193.08659	3.7
193.10258	1.6
193.12242	21.9
193.15913	3.9
194.08208	1.6
194.15411	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.35190	1.3
53.03937	5.0
55.01869	6.2
55.05512	41.3
57.03433	3.1
57.07079	3.7
65.03939	1.6
67.05507	25.0
69.03426	4.9
69.07075	24.1
71.04980	6.1
71.28019	1.6
79.05499	28.7
80.05040	1.6
81.03426	11.4
81.07057	60.0
83.04984	100.0
83.08617	5.3
85.06532	4.0
87.04474	2.3
91.05482	41.1
93.06481	1.9
93.07047	28.3
95.04980	13.1
95.08609	24.4
97.06539	6.1
98.06039	1.3
99.08099	1.9
103.05440	2.6
104.63007	1.4
105.03412	2.1
105.07035	53.8
106.06561	1.8
106.07404	1.6
107.04993	2.2
107.08593	23.0
109.02869	1.5
109.06510	20.8
109.10153	27.6
111.08071	7.3
111.11703	3.0
115.05491	2.8
117.06993	2.1
119.05022	1.8
119.08580	34.9
121.06519	7.0
121.10152	10.7
123.08057	14.2
123.11713	8.0
125.05994	2.8
125.09619	1.5
129.07011	1.8
131.08582	11.6
132.05815	1.5
133.02902	1.8
133.06509	10.2
133.10133	98.6
134.10455	3.2
135.08054	3.2
135.11700	20.5
137.06001	1.7
137.09621	25.1
145.10101	1.9
146.06044	3.7
147.04486	2.8
147.06360	18.4
147.08054	3.8
147.11684	24.7
148.07562	2.5
149.05957	3.0
149.09647	4.3
149.13240	2.5
151.07530	5.6
151.11150	6.5
157.10143	4.1
161.06001	7.4
165.05423	1.8
165.12854	1.9
165.42787	1.4
166.08643	1.7
175.07510	2.7
175.11198	13.3
175.14835	17.4
176.07146	1.5
177.05478	2.4
193.05005	9.3
193.06856	2.9
193.08572	5.8
193.10341	1.9
193.12248	14.1
193.14035	2.4
193.15892	28.2
194.08112	8.0
194.15396	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	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.1
53.03941	3.3
55.01873	4.4
55.05240	1.4
55.05511	27.9
57.03433	4.5
57.07064	4.2
59.05001	3.1
64.15501	1.2
65.03925	3.5
66.51866	0.9
67.05506	25.9
69.03420	3.6
69.07072	48.5
69.27206	7.5
70.44979	1.3
71.04993	11.7
79.05072	2.1
79.05496	27.4
80.05016	1.7
81.03423	5.6
81.07057	40.9
83.04990	9.2
83.08626	17.5
85.06536	6.3
87.04457	1.4
91.05482	34.5
92.05885	1.1
93.06470	2.4
93.07048	41.2
93.65891	1.1
95.04971	22.8
95.08608	43.8
97.06535	35.4
97.10149	3.8
97.62357	1.1
99.04441	6.8
99.08099	11.5
103.05461	4.4
105.03407	1.7
105.04538	1.4
105.07032	67.2
106.07388	1.6
107.05019	3.1
107.08600	45.5
108.08894	1.8
109.06522	62.2
109.10158	35.5
109.10915	1.5
110.06812	1.2
111.08101	9.9
111.11714	5.9
114.11729	1.2
115.05451	5.1
117.06994	3.0
119.04908	2.5
119.08585	53.8
120.08131	1.5
120.08921	1.3
121.06521	3.5
121.10149	19.4
123.04470	1.3
123.08070	58.3
123.11693	11.2
124.08406	1.3
125.06069	1.1
125.09632	2.3
129.06995	4.4
131.04993	1.3
131.08569	8.1
133.02853	4.0
133.06496	19.8
133.10133	99.2
134.10461	2.5
135.08054	4.0
135.11694	48.6
136.12065	1.3
137.04778	2.0
137.05971	3.3
137.09615	28.8
142.07742	3.2
145.10086	1.9
146.05899	1.3
147.04376	2.2
147.06372	3.8
147.08026	6.8
147.09085	1.2
147.11687	25.2
147.68976	1.2
148.07527	1.6
149.02350	8.3
149.03397	2.0
149.09625	3.8
149.13231	6.1
151.07532	3.7
151.11183	7.0
151.14830	1.5
152.07069	30.1
157.10188	5.8
161.05991	16.5
165.02010	1.2
165.05435	1.7
165.09143	1.6
165.12764	1.6
165.16440	1.6
166.08664	7.2
175.03860	1.5
175.07477	2.6
175.11215	11.9
175.14835	46.3
176.15260	1.4
177.05455	1.2
178.02650	2.2
193.04947	12.8
193.06564	1.4
193.06868	1.5
193.08540	11.0
193.10077	2.1
193.12236	14.6
193.15887	100.0
194.08121	9.8
194.15527	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.00305	1.2
53.03940	3.7
55.01869	2.5
55.05513	31.9
57.03425	1.5
57.07084	7.6
59.04995	2.4
59.81035	1.2
62.44529	1.2
65.03931	2.3
67.05511	37.2
69.03012	2.8
69.03420	22.7
69.06731	1.9
69.07074	24.1
71.04990	5.1
71.08649	2.4
79.05498	12.4
81.03419	8.5
81.06586	2.2
81.07061	41.2
83.04988	39.3
83.08629	20.7
85.06560	6.5
86.61703	1.3
87.08143	1.3
91.05489	20.7
93.07043	25.2
95.04963	7.4
95.08611	65.1
95.91852	1.4
95.92464	1.2
97.02909	3.5
97.06522	6.6
97.10173	4.7
98.23309	2.5
99.08091	3.8
105.07034	33.9
107.04993	1.3
107.08599	53.5
109.06525	23.7
109.10166	86.7
111.08108	11.6
115.05472	1.7
117.07014	3.4
117.30956	1.3
118.04179	1.8
119.04935	1.7
119.08591	62.5
121.06532	3.2
121.10147	37.8
122.10474	1.5
123.04421	1.4
123.08076	55.4
123.11701	13.0
125.09646	4.4
131.08600	3.6
133.02895	3.0
133.06514	8.8
133.10136	56.6
134.10553	1.4
135.08080	3.0
135.11700	68.3
136.07637	1.3
136.12044	2.3
137.06036	1.6
137.09624	40.1
137.72328	1.5
138.10411	5.9
145.10130	1.9
147.04420	3.6
147.08044	1.5
147.11694	9.2
149.13266	17.4
151.07578	2.0
151.11194	12.6
151.14851	11.1
161.05984	4.3
165.12804	3.4
165.16408	4.8
175.03911	2.0
175.11230	2.9
175.14850	48.0
176.15239	1.7
179.18954	1.3
193.04971	8.9
193.08537	2.7
193.10081	2.1
193.12273	8.2
193.15895	100.0
194.08141	2.0
194.15390	3.1
197.00821	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03952	1.4
55.01865	3.9
55.05514	17.9
57.03441	5.1
57.07085	7.3
59.04996	4.8
65.03946	2.7
65.56287	0.9
67.05508	37.0
67.37937	0.9
69.03447	2.3
69.07073	14.0
69.75986	3.1
69.76377	1.9
71.04981	2.9
71.08619	1.3
74.08669	1.0
77.13474	1.0
79.05499	17.4
81.03408	1.9
81.07069	22.9
83.04993	7.4
83.08624	5.8
85.06546	24.5
87.04478	1.3
91.05485	73.4
92.05811	1.9
93.07047	27.2
94.07384	1.1
94.91518	1.0
95.04970	6.3
95.08612	25.1
97.06538	1.6
97.10168	1.9
98.23294	1.1
99.08098	100.0
100.08431	1.2
103.05471	5.8
104.56419	1.0
105.07035	60.3
106.06609	1.2
106.07349	2.8
107.04987	2.4
107.08600	31.3
109.06518	9.8
109.10162	70.7
111.08083	2.2
115.05431	8.4
117.07001	2.4
118.04168	2.3
119.07787	2.0
119.08583	25.7
121.02859	1.4
121.06491	2.3
121.10157	9.9
123.04512	1.8
123.08084	12.4
123.11701	8.8
125.06025	1.6
129.06995	2.2
131.04901	1.4
131.08582	5.4
133.02850	1.5
133.06497	33.3
133.10138	58.5
134.06860	2.0
135.08020	2.4
135.11703	35.7
137.08627	2.1
137.09621	27.4
138.10405	2.5
143.06003	2.6
145.10165	1.2
147.08051	4.2
147.11685	13.9
149.02333	5.7
149.05957	1.4
149.09642	1.5
149.13304	3.0
151.07570	1.6
151.11179	13.3
151.14883	2.7
152.07059	2.6
157.10139	1.8
161.05989	34.6
165.09146	3.3
165.16417	3.4
166.08577	1.2
175.07562	1.6
175.11215	6.3
175.14838	14.4
182.84584	1.2
193.04933	4.5
193.08559	11.2
193.12299	8.5
193.15889	80.9
194.08197	1.6
194.15315	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	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01863	5.4
55.05516	21.7
57.03429	6.0
57.07064	5.7
59.05001	4.3
63.45190	1.3
64.18071	1.1
65.03933	2.8
67.05508	45.3
68.60852	1.2
69.03420	4.3
69.07067	10.9
71.04996	4.0
79.05499	21.2
81.03409	1.8
81.07061	26.6
83.04986	8.7
83.08617	7.0
85.06549	26.8
91.05486	75.5
92.05814	1.8
93.07052	28.2
95.04977	7.7
95.08613	27.7
97.06538	4.1
97.10146	1.8
98.23299	2.8
98.87684	1.4
99.08099	100.0
100.08426	2.5
103.05459	5.9
105.07037	68.0
106.07353	2.1
107.04965	2.2
107.08601	32.1
109.06519	10.6
109.10163	78.2
110.10474	1.8
111.08070	4.3
115.05491	8.3
117.07011	1.9
118.04156	3.9
119.08582	30.0
120.08099	1.2
121.02928	1.7
121.06512	4.2
121.10136	12.0
123.04410	1.5
123.08090	14.4
123.11732	9.6
129.07062	2.4
131.08586	7.2
133.02814	1.5
133.06503	27.5
133.10136	65.3
134.06879	1.9
134.10477	2.1
135.08081	3.0
135.11693	34.2
137.06038	1.8
137.09616	23.8
142.07892	2.0
147.08037	2.4
147.11728	15.4
148.07526	1.5
149.02339	9.3
151.07538	1.6
151.11191	11.3
151.14844	3.4
157.10143	2.9
157.52640	1.5
161.05995	27.0
163.18608	1.6
164.53664	1.5
165.09129	3.1
165.12799	1.9
165.16379	4.8
169.07127	1.6
175.07565	2.3
175.11197	6.5
175.14833	14.5
193.04970	5.7
193.06883	2.3
193.08553	11.7
193.12254	9.4
193.15895	72.4
194.16371	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	4.7
55.01864	4.3
55.05515	27.4
57.03424	4.5
57.07067	4.6
59.04993	3.9
59.17114	1.1
65.03939	2.7
67.05511	25.0
69.03432	2.2
69.07076	37.9
71.04992	10.5
71.28175	1.4
74.78099	1.1
79.05500	31.5
80.05020	1.7
81.03426	9.4
81.07065	38.7
83.04997	10.4
83.08619	13.8
85.06551	9.7
87.04465	1.2
91.04910	1.8
91.05482	36.5
93.07047	37.5
95.04982	19.9
95.08612	35.5
95.09106	0.8
95.09233	1.5
96.08142	2.7
97.02918	1.7
97.06536	35.7
97.10178	2.6
99.04477	7.1
99.08095	9.8
103.05475	7.2
104.06284	1.2
105.04536	1.3
105.07039	82.0
106.07349	2.2
107.04956	3.0
107.07867	1.9
107.08601	43.1
109.06525	59.0
109.10157	37.3
111.04443	1.8
111.08070	8.1
111.11753	8.7
115.05474	7.1
117.07031	5.1
118.04183	3.7
119.04928	1.6
119.06162	1.1
119.08586	54.2
121.06493	4.1
121.10152	18.3
123.04437	1.3
123.08068	48.1
123.11706	11.0
124.08398	1.5
125.05997	2.9
125.09675	2.8
129.07008	4.7
129.75250	1.3
131.08572	7.9
133.02852	3.9
133.06502	26.2
133.10138	100.0
134.10466	3.0
135.08070	3.2
135.11700	51.8
137.04718	3.2
137.05984	2.2
137.09624	29.7
137.13199	1.2
142.07773	1.5
143.06061	2.8
145.10130	2.6
147.04424	1.7
147.06337	2.7
147.08054	6.6
147.11696	25.4
148.07573	2.4
149.02333	12.8
149.05945	3.4
149.09615	4.4
149.13277	5.3
151.06319	2.4
151.07541	4.7
151.11176	7.2
151.14847	2.2
152.07074	37.7
157.10138	5.0
161.05986	27.6
165.05496	1.6
165.12772	2.7
166.08664	8.6
168.82872	1.3
175.07503	3.4
175.11201	13.6
175.14828	46.6
176.07092	1.6
176.15248	1.6
178.02621	2.7
193.04970	14.0
193.06821	2.8
193.08510	12.2
193.10420	1.7
193.12250	15.5
193.15897	91.1
194.08151	10.7
194.15385	2.0
194.16254	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	194.0814
Annotation	Northalifoline
Peak:m/z	Relative Intensity
55.01865	1.0
65.29193	0.8
67.05495	1.7
69.03410	1.1
69.23227	6.6
73.41129	0.9
76.93985	0.8
79.05489	2.9
80.05009	3.1
81.23697	0.8
84.08133	1.5
87.04452	1.0
91.05479	6.8
93.07026	2.5
95.04972	2.2
95.08627	1.0
97.06597	0.9
98.06027	1.6
99.77786	0.8
103.05471	9.5
105.07007	3.6
106.06559	2.2
106.07354	4.1
107.04955	2.6
108.88693	0.9
110.06039	1.3
117.03351	1.6
119.04981	5.8
120.08102	6.5
121.06509	25.6
123.04435	6.4
125.05981	1.1
128.55626	0.9
130.06508	2.4
131.04944	17.8
133.02806	2.5
133.05228	1.1
133.06435	1.3
134.05963	1.3
134.06827	3.1
135.04408	2.2
137.05988	49.0
138.06337	1.7
139.39122	1.1
145.02811	1.6
146.06029	1.2
147.04456	4.2
148.07562	8.0
149.05995	43.9
150.06342	0.9
151.03912	1.1
152.06975	1.8
153.05437	2.4
158.06053	2.2
162.06238	2.9
163.03874	0.9
165.05516	4.2
166.08652	88.9
167.08980	2.4
176.07068	6.7
177.05510	7.2
194.08113	100.0
194.11804	2.3
194.15388	15.2
195.02876	3.9
195.06570	1.7
195.08434	4.1
211.23982	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	194.0814
Annotation	Northalifoline
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	1.2
60.05811	0.7
62.69880	0.7
65.03936	1.0
67.05503	1.2
69.03449	1.1
69.54691	3.9
70.06589	1.3
73.20350	0.7
76.39613	0.7
79.05488	1.8
80.05019	2.2
81.07076	1.1
89.03942	1.0
91.05499	8.1
93.07041	4.3
95.04945	2.7
103.05481	10.9
105.07024	1.4
106.06553	2.1
106.07341	1.0
107.04955	3.0
107.08655	0.9
108.04449	1.2
109.02880	0.8
110.06029	1.4
111.04465	1.5
116.68286	0.8
117.03418	1.0
119.04958	5.1
120.08116	3.9
121.06515	30.1
122.05990	1.3
123.04437	5.8
124.07556	0.8
125.06033	0.8
130.06537	3.4
131.04935	16.7
132.04399	0.9
133.05238	0.8
134.05978	1.6
135.04341	1.4
137.05986	49.6
138.06325	1.7
145.02847	2.6
147.04456	5.0
148.07573	6.9
149.05989	40.2
151.07593	1.0
152.07089	2.1
153.05470	2.3
158.06018	1.8
162.06383	0.9
163.03835	1.3
163.06253	0.8
165.05443	1.2
166.08650	80.8
167.03325	1.0
167.08965	2.3
176.07053	6.2
177.05498	7.2
179.02161	0.8
194.08133	100.0
194.11816	3.3
194.15408	14.1
195.02893	2.5
195.06519	0.9
195.08417	3.6
200.25143	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	194.1178
Annotation	Dihydrostrobiline
Peak:m/z	Relative Intensity
51.83042	0.4
52.06503	0.5
67.05508	1.0
68.55723	0.4
71.28241	0.4
79.05494	0.9
81.07063	0.6
81.65742	0.5
82.39649	0.5
91.05489	0.7
92.31471	0.5
93.07047	1.4
98.06045	0.5
105.07051	0.6
105.63574	0.4
106.06519	1.1
107.07335	5.0
107.08533	0.5
120.08069	0.9
121.06547	2.3
121.08859	2.3
122.09694	1.7
127.68739	0.4
134.06018	29.7
134.09682	0.7
135.11705	0.7
148.07571	1.4
149.05972	1.0
150.05496	6.7
151.06293	86.2
152.06631	2.3
159.11678	0.9
164.07101	1.9
166.08644	77.6
167.08981	2.1
176.07010	0.6
178.08589	0.8
179.09428	47.6
180.09738	1.6
183.11884	0.5
194.08080	2.0
194.11777	100.0
194.15396	10.4
195.12105	3.0
195.15727	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	195.0653
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
50.01598	0.4
50.01916	0.4
52.34219	0.5
53.03947	0.9
57.17263	0.4
63.02374	0.9
65.03934	0.8
69.70215	1.6
71.07203	0.5
77.03916	0.6
78.04714	1.0
79.05486	1.6
80.78872	0.4
81.03418	0.5
89.03918	30.4
91.05502	3.2
93.03416	1.9
93.07066	1.4
95.04966	1.6
103.05466	1.6
105.03381	1.2
106.04162	2.2
107.04952	1.3
107.08627	0.7
109.06505	0.5
111.04453	1.7
117.03381	59.2
118.03736	1.7
119.04977	0.7
121.02868	0.5
121.06474	3.1
121.10169	0.7
125.06001	1.6
133.02858	1.0
133.06514	0.6
134.03651	10.3
135.04428	8.1
135.08072	0.7
136.03867	0.5
137.05988	1.3
139.03908	1.4
145.02847	90.4
146.03180	2.7
149.02377	0.7
149.05983	26.0
149.09550	0.7
150.06352	0.6
150.09099	0.8
153.05467	3.0
162.03177	2.8
163.03915	8.8
163.62064	0.4
167.03426	1.7
177.05469	100.0
178.05844	2.6
186.05513	1.0
195.02872	4.7
195.06433	1.0
195.10146	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.39396	0.4
53.03955	0.8
53.42491	0.4
57.03452	0.7
58.37303	0.4
63.02383	1.0
65.03939	0.5
77.03937	0.6
78.04710	1.4
79.05502	2.2
89.03918	30.3
90.04256	0.9
91.05487	4.2
93.03413	0.7
93.07064	2.6
95.04964	0.9
103.05476	1.4
105.07038	0.5
106.04173	2.3
107.04970	4.8
107.08615	1.6
109.06502	0.6
111.04458	1.1
117.03382	60.4
118.03730	0.9
121.06519	2.1
125.06020	1.2
131.08572	0.5
133.06511	0.9
134.03644	9.3
135.04427	5.4
135.08075	2.3
137.05954	0.8
145.02847	100.0
146.03201	2.6
149.05989	24.9
149.09631	0.9
150.09120	0.9
153.05470	1.3
162.03172	2.5
163.03908	8.6
163.07567	0.9
167.07056	1.3
177.05473	96.4
178.05804	3.0
186.05525	0.7
195.02930	0.6
195.06476	0.8
195.10162	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.13892	0.4
53.32839	0.5
55.01876	0.5
55.05511	0.6
58.74141	0.5
63.02381	0.5
67.05527	1.0
69.03410	0.8
71.05008	0.7
76.23874	0.4
78.04729	0.7
79.05493	2.7
81.03439	0.5
81.07063	0.8
89.03921	25.6
91.05484	4.0
91.47974	0.4
93.03404	1.2
93.07047	2.3
95.04967	1.4
95.08634	1.0
97.06551	0.5
98.22552	1.1
99.04452	0.7
103.05472	1.5
105.07036	0.9
106.04189	2.2
107.04957	2.5
107.08594	2.1
109.06524	0.7
109.10141	0.7
111.04441	1.2
117.03383	48.1
118.03709	1.4
119.04921	0.8
119.08623	0.7
121.06487	2.8
121.10133	1.3
125.05988	1.4
131.08592	0.7
134.03624	8.7
135.04414	8.0
135.08046	2.1
135.11662	0.6
137.09619	1.3
145.02850	78.2
146.03177	2.3
149.05986	22.1
149.09625	1.9
149.10779	0.6
151.07498	0.6
153.05525	2.6
162.03137	2.8
163.03899	9.9
167.06924	0.7
167.10817	0.6
177.05473	100.0
178.05853	3.3
186.05473	0.9
195.02885	0.7
195.06502	1.2
195.10135	2.0
195.15573	0.6
207.37596	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	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03955	0.8
54.86496	0.4
57.03430	0.4
63.02383	1.1
65.03950	1.1
70.38394	1.2
78.04711	1.0
79.05491	0.8
83.33248	0.4
85.49947	0.4
89.03919	31.6
89.84468	0.4
91.05489	3.8
93.03423	2.1
93.07027	1.0
95.04965	0.9
103.05482	1.5
105.07044	0.5
106.04198	2.2
107.04965	1.7
111.04462	1.9
117.03383	59.2
118.03742	1.7
119.04929	1.0
121.06499	1.6
125.05952	2.3
134.03647	9.5
135.04437	6.3
135.08047	1.0
137.30835	0.4
145.02847	94.7
146.03185	2.8
149.05983	23.7
150.06339	0.6
153.05493	3.5
162.03133	2.2
163.03909	9.7
177.05470	100.0
178.05820	3.2
186.05505	1.3
195.02921	0.8
195.06549	0.9
195.10139	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.01608	0.4
53.03954	1.2
55.01871	0.8
55.05523	1.2
56.25465	0.5
56.48891	0.5
57.07077	0.5
63.02377	1.1
65.03948	1.6
67.05517	2.7
69.03442	0.5
69.07075	1.1
69.32652	0.4
71.04984	0.9
71.29477	0.5
78.04726	1.6
79.05495	4.0
81.03432	1.2
81.07072	5.4
83.04996	0.6
83.08633	0.6
89.03923	29.8
90.04250	0.9
91.05485	5.2
93.03423	2.6
93.07043	5.7
95.04977	1.8
95.08624	2.7
97.06535	1.4
97.10237	0.4
99.08092	0.9
103.05470	1.8
105.03389	0.5
105.07072	1.1
106.04211	2.3
107.04980	2.0
107.08600	3.4
109.10177	1.1
111.04437	3.6
111.08070	0.9
117.03387	53.5
118.03730	1.1
119.04982	1.1
119.08613	0.5
121.02917	0.6
121.06513	2.7
121.10162	1.4
124.05251	0.7
125.06012	3.4
125.09613	0.9
131.08600	0.8
133.10188	1.1
134.03642	8.9
135.04436	8.1
135.08075	2.1
135.11694	3.3
136.04861	0.6
137.05957	1.2
139.05486	0.6
145.02853	94.5
146.03204	3.0
147.04379	0.5
149.05991	26.1
149.09685	0.8
149.13284	1.2
150.09201	0.6
153.05466	5.6
158.06096	0.6
159.11710	1.5
162.03131	2.1
163.03912	10.4
164.04195	0.5
171.86607	0.5
177.05478	100.0
177.12714	1.1
178.05847	4.8
186.05522	1.9
195.02898	2.0
195.06560	0.9
195.08186	0.5
195.11745	0.6
195.13834	1.7
195.15628	0.7
196.09671	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	195.0653
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
51.02390	0.8
53.03953	1.4
55.01884	1.5
57.03445	0.8
65.03954	1.2
67.05515	1.1
69.03438	0.7
77.03941	0.9
78.04714	1.4
79.05498	7.5
81.03405	0.6
81.07065	1.2
83.04990	0.6
83.91061	0.6
87.21326	0.5
89.03922	28.0
89.89400	0.4
90.04243	0.6
91.05480	6.9
91.59608	0.5
93.03413	2.2
93.07078	3.0
94.04195	0.5
95.04981	2.3
97.06510	0.5
98.23447	1.1
103.05470	7.4
105.03397	1.0
105.04533	1.0
105.06372	0.8
105.07033	6.3
106.04173	2.2
107.04961	39.8
107.08611	2.2
108.05289	0.8
109.06516	1.2
111.04457	2.1
115.05464	2.4
117.03384	49.3
117.07053	1.3
118.03699	1.2
119.04910	1.0
120.05748	1.1
121.06520	2.9
121.10161	1.2
122.06011	0.5
123.04402	0.9
124.05257	1.3
125.06025	3.0
129.04492	0.6
131.04909	0.9
131.08546	0.6
133.02863	1.4
133.06517	0.8
134.03654	8.6
135.04427	9.9
135.08064	11.5
135.09047	0.6
137.05959	0.8
139.03929	0.8
145.02852	87.7
145.07628	1.2
146.03177	2.9
147.04431	1.8
149.05989	25.1
149.09604	3.6
150.06345	1.0
150.09160	0.6
152.04622	0.5
153.05508	3.4
153.09048	0.6
154.06274	1.5
159.04376	0.6
162.03117	1.8
163.03914	9.9
163.07547	13.5
167.07056	12.6
177.05473	100.0
178.05867	3.3
180.07803	3.2
186.05519	1.5
195.02911	2.9
195.06500	1.6
195.08690	0.5
195.10162	12.9
195.11627	0.6
195.15625	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02384	0.4
53.00314	0.4
53.03943	0.8
55.01875	1.3
55.05519	1.0
63.02386	0.7
64.82967	0.3
65.03945	1.8
67.05518	0.9
68.99801	0.6
69.03436	0.4
73.05600	0.4
73.48803	0.4
77.03948	0.5
78.04709	1.9
79.05496	7.6
81.03416	0.6
81.07063	1.4
83.04979	0.7
88.03083	0.4
89.03921	29.0
90.04234	0.9
91.05477	7.2
91.06013	0.7
93.03419	1.1
93.07057	2.9
95.04974	2.7
95.08624	0.4
97.06487	0.7
103.05482	7.1
105.03413	1.4
105.04504	0.9
105.07035	5.7
106.04176	2.9
107.04957	47.1
107.08600	2.4
107.19601	0.4
108.05324	0.7
109.06538	1.1
109.10149	0.5
111.04440	1.7
115.05454	3.5
117.03380	56.6
117.07021	1.7
118.03724	1.4
119.04961	1.4
120.05725	2.0
121.02836	0.6
121.06502	3.1
121.10136	1.0
123.04443	0.9
124.05205	1.6
125.05994	3.0
127.81998	0.4
131.04945	1.3
131.08565	0.6
132.04407	0.3
133.02844	0.8
133.06485	0.9
134.03638	8.8
135.04439	7.7
135.08055	11.8
135.09103	0.7
137.05992	1.1
139.03934	1.2
139.07529	0.6
145.02847	93.2
146.03218	3.2
147.04413	1.6
149.05983	23.7
149.09631	3.6
150.06363	0.5
151.03946	0.9
152.04739	0.7
153.05482	2.5
153.09070	0.8
154.06268	1.9
158.06055	0.5
162.03102	1.9
162.06754	0.4
163.03911	10.5
163.07544	16.7
164.08260	0.5
165.05493	1.0
167.03461	0.5
167.07043	15.3
167.10779	0.5
177.05469	100.0
178.05843	4.4
180.07822	4.3
186.05482	0.9
195.03018	2.3
195.06541	1.7
195.10143	13.5
195.15802	0.6
196.06143	0.6
200.27113	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	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02374	0.4
53.00311	0.8
53.03950	1.6
55.01874	1.5
55.05503	0.3
57.03437	0.6
65.03940	1.1
67.05496	1.0
68.99764	0.3
70.56034	0.7
70.56371	0.5
77.03909	0.7
78.04696	1.2
79.05493	13.9
81.03423	0.6
81.07053	0.7
89.03915	0.9
91.04900	0.5
91.05475	8.9
92.06287	0.6
93.03398	0.9
93.07042	1.0
94.04159	0.3
95.04971	6.0
95.08639	0.3
96.62944	0.3
103.05469	13.1
105.03411	0.7
105.04532	0.8
105.07029	13.1
106.04188	0.8
106.07349	0.4
107.04952	100.0
107.08601	1.8
108.05247	2.3
109.06514	0.7
110.03629	0.7
111.04442	1.1
115.05456	9.3
116.06247	0.6
117.03373	1.4
117.07018	3.3
119.04951	1.2
120.05727	3.2
121.02861	1.5
121.06479	1.2
121.10148	0.4
123.04430	2.7
124.05231	3.0
125.06026	1.8
131.04922	1.1
131.08601	0.4
133.02869	1.1
133.06503	0.8
135.04390	1.0
135.08052	25.2
136.08421	0.6
137.05980	1.9
139.03937	2.4
145.02835	2.1
145.06471	0.7
145.07617	2.4
147.04417	3.4
148.05142	0.7
149.02400	0.4
149.05980	1.9
149.09587	0.4
151.03906	1.3
151.07547	0.4
152.04681	1.3
153.05452	3.2
154.06252	7.0
161.06033	0.5
163.07541	32.8
164.07974	1.2
165.05476	1.9
167.07040	38.8
168.07446	1.0
177.05498	2.5
180.07800	7.6
195.02895	2.1
195.06451	1.0
195.10161	32.9
196.10521	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	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00314	1.1
53.03947	2.0
55.01871	1.1
65.34058	0.8
69.19393	5.3
77.03916	1.2
78.04704	1.5
78.90356	0.9
79.05503	15.3
81.07072	1.3
91.05485	8.7
93.03340	1.1
95.04978	5.3
98.23362	1.6
101.09318	0.8
103.05482	11.7
105.04523	0.9
105.07043	13.1
106.04105	1.3
107.04961	100.0
107.08619	1.5
108.05288	2.4
115.05465	8.3
117.07008	2.6
119.67030	0.9
120.05727	3.7
121.06466	0.9
123.04425	2.2
124.05215	2.1
125.05985	1.4
131.04959	1.5
133.06476	1.0
135.08060	27.3
137.05991	2.4
139.03928	2.4
145.07608	2.5
147.04407	2.1
149.05920	1.0
152.04639	1.7
154.06290	7.1
163.07550	30.5
165.05521	2.4
167.07053	39.1
168.07385	0.8
180.07846	8.2
195.10181	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01882	1.8
60.65447	0.8
65.03929	1.3
69.67096	2.0
69.67487	1.8
70.03178	0.8
70.18772	0.7
78.04680	0.9
79.05495	13.8
80.88189	0.7
83.96789	0.8
89.03880	0.8
91.05490	7.9
93.03372	1.0
93.07019	1.7
95.04993	4.3
103.05482	11.6
105.04536	0.9
105.07040	12.3
105.82642	0.8
107.04961	100.0
107.08593	1.6
108.05289	2.4
115.05477	7.1
117.03339	0.9
117.07038	3.8
120.05715	2.3
121.06516	0.8
122.03693	1.1
123.04415	3.0
124.05211	2.5
125.06044	0.9
131.65695	0.8
133.02821	0.9
133.06429	0.9
135.04390	0.8
135.07083	1.6
135.08060	24.3
137.05991	1.7
139.03882	2.2
145.02776	1.1
145.06490	0.9
145.07637	2.3
147.04401	1.7
148.05095	0.8
149.06017	1.0
151.03932	1.8
151.07436	0.7
152.04742	2.0
153.05446	1.1
154.06242	7.8
163.07549	36.3
164.07927	1.4
165.05489	2.4
167.07047	37.4
177.05568	1.3
180.07799	9.4
195.10182	36.6
196.10529	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	195.1018
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
53.03940	1.2
55.01863	0.9
55.05512	3.4
59.04997	0.9
65.03940	1.2
66.80872	0.3
67.05505	5.4
69.03435	0.3
69.07057	1.0
69.13628	0.3
69.14029	2.1
71.04984	0.5
74.02309	0.3
78.04709	0.4
79.05492	9.7
81.03420	1.0
81.07057	6.7
83.01350	4.3
83.04980	7.2
83.08604	0.4
89.03897	0.4
91.05483	14.5
92.05795	0.4
93.07047	6.2
95.04976	2.4
95.08614	1.9
97.06514	0.9
98.22565	0.3
103.05464	1.3
104.06250	1.3
105.04505	0.8
105.07031	4.8
107.04957	4.1
107.08598	9.8
109.06521	1.7
109.10170	2.5
111.04424	0.8
111.08134	0.5
115.05448	2.6
117.03389	0.6
117.07026	5.7
119.06030	0.5
119.08588	3.4
121.06511	1.1
121.10125	0.9
123.08056	0.4
125.09589	0.4
131.08534	0.7
133.10109	1.2
134.07280	0.9
135.04414	0.9
135.08058	6.7
135.11716	1.7
136.08798	0.5
137.06096	0.4
137.09637	0.3
139.07538	0.3
139.11188	4.0
145.02814	0.7
147.08060	2.4
149.05931	0.4
149.09615	1.9
149.13269	0.9
149.97159	0.5
151.11137	0.3
152.08333	0.7
153.09103	0.5
159.11656	0.8
162.06818	0.3
163.03870	1.6
163.07553	6.5
167.10641	0.9
172.98904	0.4
177.05537	1.8
177.09113	12.1
177.12727	0.8
178.09502	0.6
195.10170	100.0
196.06046	0.4
196.10497	3.5
196.16983	0.3
211.34740	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	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01877	0.5
55.05511	2.8
57.07076	2.6
59.05000	0.6
67.05499	5.1
68.99793	56.6
69.03440	2.8
69.07066	3.7
71.04991	1.7
73.61352	0.4
79.05490	5.7
79.50238	0.4
80.97372	0.4
81.03436	2.6
81.07058	10.0
83.04990	5.8
83.08630	2.3
85.02917	0.6
85.06555	1.0
85.10183	19.1
89.03941	0.6
91.05486	4.3
93.07049	6.9
95.04985	1.6
95.08611	4.4
96.16381	0.4
97.06554	4.1
98.23357	0.9
105.07028	2.1
107.04949	2.2
107.08599	14.6
109.06527	4.2
109.10153	4.0
111.04440	3.1
111.08084	1.9
117.03389	0.8
117.07040	1.2
119.08587	2.1
121.06503	2.6
121.10126	2.1
123.08112	0.7
125.09636	35.2
126.09978	1.1
129.07018	0.5
131.08589	1.8
133.02876	0.5
133.10100	2.0
135.08070	4.3
135.11699	5.3
137.05997	1.7
137.09599	3.4
139.03920	0.5
145.02866	1.6
149.05980	0.6
149.09665	3.0
149.13268	2.7
153.09109	100.0
154.09439	2.5
155.07030	1.1
159.08044	0.8
159.11714	2.9
170.90852	0.4
177.05492	1.9
177.09129	1.4
177.12743	4.2
195.02861	2.6
195.10176	15.8
195.11714	0.6
195.13826	8.4
196.16902	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	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01866	2.4
55.05499	1.2
57.07075	0.9
65.03942	4.6
67.05515	3.4
67.39827	0.4
68.99792	15.3
69.03416	1.1
69.07078	2.6
69.19457	3.7
70.06561	0.6
71.04983	0.7
79.05495	8.8
81.03405	1.0
81.07056	3.5
82.14707	0.5
83.04972	1.8
83.08643	1.1
85.10175	4.3
89.03908	0.6
91.05483	6.7
93.03416	7.3
93.07036	3.8
95.04964	1.9
95.08587	2.0
95.33372	0.6
97.06519	3.3
98.06068	1.1
98.23405	1.2
102.72925	0.5
103.05474	24.3
105.07034	10.9
107.01323	0.5
107.04958	30.6
107.08591	5.0
109.02898	0.9
109.06508	1.2
109.10153	2.4
111.04440	7.0
111.08130	1.1
113.02406	0.6
115.05455	3.5
117.03402	1.5
117.07021	1.5
117.50880	0.5
120.05686	2.5
121.06516	2.8
121.10142	1.5
124.05212	2.2
125.06004	1.3
125.09621	7.5
131.04924	4.2
131.08551	1.0
133.06512	0.9
133.10170	0.9
135.04459	1.0
135.08051	18.6
135.11690	1.9
137.06039	0.8
139.03903	29.7
145.02831	1.8
145.07582	0.7
148.05179	0.6
149.05969	1.0
149.09618	1.6
153.09111	25.4
154.06250	100.0
155.06561	2.8
159.11758	1.0
163.03941	0.9
163.07542	26.3
164.07994	0.8
165.05457	0.5
165.06989	1.1
167.07059	3.9
168.13872	0.8
177.05434	2.5
177.09120	0.6
177.12732	1.1
178.87184	0.5
180.07922	1.0
180.09253	0.6
195.02911	0.8
195.08490	1.1
195.10167	9.4
195.11760	0.9
195.13826	0.6
195.15739	0.6
196.17050	0.6
210.66487	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	4.0
55.01876	4.4
55.05515	20.6
57.03442	8.5
57.07076	1.3
58.26817	1.0
65.03944	2.0
67.05507	71.5
68.05826	1.2
69.03720	8.3
69.07070	17.7
71.01381	2.4
71.04996	7.4
73.02937	1.8
79.05495	47.4
81.03423	22.7
81.07059	100.0
82.07398	1.9
83.04987	17.5
83.08624	12.0
85.02875	1.1
85.06549	4.3
89.06050	1.7
91.05489	34.1
92.05772	1.1
93.07050	62.0
94.07384	1.4
95.04982	8.1
95.08607	36.8
97.06541	14.2
97.10144	1.2
99.04449	1.3
99.08121	2.6
105.07034	11.1
107.04952	2.1
107.08598	28.2
109.06533	3.0
109.10167	3.6
111.08083	6.6
113.09666	1.2
117.07016	10.5
119.08582	2.4
121.06511	8.1
121.10143	11.2
123.08059	1.1
123.11750	2.1
131.08559	15.8
133.10138	17.5
135.08069	4.8
135.11693	26.4
144.09399	1.6
149.09636	3.1
149.13261	18.9
149.14357	1.9
149.97202	2.4
151.11215	2.7
159.11717	16.9
177.12790	13.0
195.11787	1.8
195.13843	18.0
195.15750	5.6
196.16954	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03951	4.7
55.01863	3.4
55.05515	14.2
57.03433	2.9
57.07069	2.9
65.03945	2.1
67.05509	69.3
69.03430	3.4
69.07074	19.9
69.30727	7.2
71.04991	6.1
73.02896	2.0
79.05501	42.0
81.03420	5.5
81.07063	100.0
83.04987	9.0
83.08614	8.5
85.06544	6.0
91.05482	25.3
92.08074	1.6
93.07052	65.9
95.04977	6.8
95.08613	48.2
96.08981	1.5
97.06530	21.4
97.10182	2.5
99.04460	3.8
99.08096	1.8
103.90948	1.6
105.07048	11.5
106.39148	1.3
107.04964	5.6
107.08607	26.9
109.06538	5.2
109.10171	5.0
111.08090	8.4
117.03421	2.3
117.07046	10.9
119.08557	3.9
121.06522	6.0
121.10166	11.6
122.05996	1.9
123.08076	1.9
123.11690	1.8
125.09618	2.3
131.08572	18.2
133.10129	18.8
135.04401	2.2
135.08092	7.3
135.10672	2.7
135.11694	50.2
136.12022	2.6
139.07503	1.8
145.02864	6.4
147.11723	1.5
148.97342	2.0
149.09631	4.2
149.13268	30.8
150.68549	1.4
151.11188	6.3
153.09152	2.0
159.11713	27.0
163.03963	3.0
165.06935	2.0
177.05450	7.9
177.12747	23.5
180.09363	1.7
195.03107	1.5
195.06441	2.0
195.11852	3.6
195.13834	28.9
195.15663	3.5
196.09735	4.4
196.17003	2.2
200.70668	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03950	4.3
55.01867	3.4
55.05514	19.5
57.03437	5.0
57.07076	2.2
62.75199	0.5
65.03942	2.4
67.05508	65.7
68.05835	1.3
69.03433	1.8
69.07069	17.9
71.01354	2.4
71.04993	6.0
73.02909	1.0
77.03928	0.7
79.05495	45.1
79.54279	0.5
81.03421	16.1
81.07059	100.0
82.07392	1.7
83.04992	12.3
83.08625	12.1
85.02913	1.4
85.06543	4.1
87.04468	0.8
90.63652	0.5
91.05483	43.9
93.07047	65.9
94.07367	1.1
95.04968	7.4
95.08609	37.8
96.08936	0.9
97.06531	10.9
97.10153	1.2
99.04467	0.7
99.08109	1.4
103.05470	1.0
105.04534	1.3
105.07036	14.9
107.04979	3.2
107.08598	29.6
108.03458	0.5
108.08897	0.9
109.06506	3.3
109.10144	4.2
111.08080	6.0
113.06012	1.0
115.05426	1.3
117.03403	0.6
117.07019	14.5
119.08584	3.6
121.06516	6.5
121.10143	10.5
123.08083	1.6
123.11706	2.6
125.06002	0.8
125.09617	0.9
131.07597	0.7
131.08578	14.0
133.10127	28.4
134.10445	0.6
135.08066	5.7
135.11693	36.6
136.12041	0.7
144.09341	1.5
145.02815	1.1
147.11646	0.7
148.97362	0.7
149.09602	2.1
149.13266	18.9
149.97211	1.4
151.11182	4.1
159.11700	15.8
160.12064	0.7
165.06987	0.9
177.05449	1.4
177.12744	12.0
195.02849	0.9
195.07994	0.8
195.11914	1.0
195.13818	19.4
195.15627	1.3
196.06062	0.6
196.09746	0.6
196.14149	1.1
196.17033	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02357	0.6
53.03945	4.3
55.01875	3.7
55.05513	21.6
57.03437	4.9
57.07069	2.6
65.03946	2.4
67.05507	71.6
67.28947	0.6
68.05821	0.7
69.03432	1.3
69.07071	18.8
70.38377	1.4
71.01356	2.1
71.04999	6.5
73.02943	1.3
77.03903	0.7
77.83177	0.6
79.05495	51.8
80.05838	1.4
81.03417	18.5
81.07059	100.0
82.07405	2.1
83.04985	13.2
83.08622	12.1
85.02914	1.1
85.06554	4.5
90.57834	0.7
91.05484	45.6
92.05834	0.9
93.07045	63.9
94.07363	1.1
95.04961	7.4
95.08608	34.2
97.06534	13.6
97.10152	0.6
99.08104	1.4
102.91419	0.7
103.05487	0.8
105.04533	1.1
105.07034	14.3
107.04974	1.8
107.08597	30.1
108.08922	0.9
109.06520	3.2
109.10152	4.0
111.08083	5.0
115.05437	1.2
117.07018	13.9
119.08603	3.7
119.12814	0.6
121.06506	7.7
121.10146	9.0
123.08080	1.3
123.11707	2.4
125.09609	0.7
129.07021	1.2
131.08569	14.9
131.09497	1.1
133.06633	0.8
133.10129	28.7
135.08104	3.4
135.11694	32.9
135.37181	0.7
136.12003	0.9
139.11279	0.6
149.09624	2.1
149.13255	17.2
151.11130	4.0
153.09087	1.3
159.11690	14.6
162.31262	0.6
174.34576	0.6
177.12753	10.8
195.13811	19.1
195.15645	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	4.6
55.01846	1.9
55.05502	6.8
57.07083	14.8
57.79421	1.4
61.02924	5.3
62.04256	1.5
67.05511	8.9
68.19552	1.4
68.99789	7.3
69.07070	9.4
70.31367	3.9
71.04978	1.8
79.05498	100.0
81.07056	16.7
83.04988	29.7
86.21944	1.6
91.05493	18.7
93.07050	87.9
95.04967	5.0
95.08602	9.9
97.06528	12.9
105.04501	2.1
105.07058	5.3
107.04969	13.9
107.08599	34.9
109.06496	2.8
111.08160	2.0
115.76353	1.4
117.03374	2.7
117.07013	2.7
121.06489	5.6
121.10136	6.8
125.05993	18.9
125.09606	4.2
131.08537	3.7
133.10101	8.2
135.08087	4.8
135.11697	67.5
136.12004	3.0
139.07542	8.4
141.96956	2.1
149.06009	1.8
149.13283	7.8
152.03517	1.5
153.09093	14.0
153.12752	4.7
159.11678	4.3
163.00899	3.2
163.30150	1.7
176.75566	1.9
177.05437	2.8
177.12726	7.0
178.03242	15.9
193.79425	1.5
195.02788	1.8
195.08003	1.7
195.10046	3.5
195.11803	1.9
195.13818	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03952	8.0
55.01877	4.7
55.05519	22.5
57.03446	5.2
65.03938	3.1
67.05509	77.0
69.03452	2.0
69.07071	14.2
71.04990	8.8
71.11317	2.2
72.43324	1.7
79.05500	52.9
81.03442	15.0
81.07060	100.0
83.04984	35.3
83.05460	2.6
83.08626	8.5
85.06521	3.2
89.06048	2.1
91.04916	2.1
91.05482	39.0
93.07050	82.4
95.04976	13.0
95.08050	3.6
95.08619	42.4
97.06524	17.5
98.23440	4.4
99.08134	1.9
100.02522	2.1
105.04478	2.1
105.07034	14.5
107.04955	4.8
107.08595	25.1
109.06535	8.5
109.10177	3.9
111.08095	7.0
115.05550	2.1
116.95956	1.9
117.07030	18.0
119.08601	4.2
121.06548	7.4
121.10139	11.8
123.08086	4.1
129.43039	1.7
131.08582	21.0
131.96158	2.7
133.10144	13.5
135.08055	7.4
135.11708	32.9
141.04993	1.8
149.09618	2.6
149.13252	16.3
149.97247	2.4
159.11694	18.6
172.98799	3.5
177.12759	14.3
179.08607	2.3
195.08185	2.8
195.11954	3.8
195.13844	24.0
195.15721	6.4
196.16998	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03941	2.1
55.01878	2.6
55.05515	14.7
55.84075	0.5
57.03442	0.8
57.07075	2.4
57.37288	0.5
59.04992	2.3
65.03938	0.8
67.05509	7.8
69.03440	0.7
69.07073	6.3
70.55450	0.9
70.55796	1.1
71.04984	1.8
79.05494	17.4
81.07058	60.7
82.07378	1.0
83.04570	0.6
83.04976	4.2
83.81637	0.5
85.06536	1.1
87.04500	0.6
89.03917	0.9
91.05481	9.7
93.07046	48.8
94.07398	0.6
95.04961	2.1
95.08611	24.8
96.08935	0.7
97.06537	2.4
99.04455	0.8
101.06023	6.0
105.07032	7.1
107.04957	1.4
107.08596	48.6
109.06522	2.6
109.10160	2.4
109.44709	0.6
109.69094	0.6
111.08125	0.6
115.07562	0.9
117.03384	2.2
117.07029	2.1
119.08604	4.8
121.06528	4.4
121.10144	10.8
123.11739	0.7
131.08533	3.7
133.10146	12.8
135.08073	7.9
135.11694	100.0
136.12051	2.9
139.07536	2.0
145.02852	4.0
149.05934	1.1
149.09628	3.8
149.13251	10.9
153.09137	1.4
159.11702	10.6
166.32912	0.5
177.01845	0.6
177.05502	4.5
177.12750	25.4
178.13086	1.3
195.02766	0.7
195.10220	3.0
195.11926	0.8
195.13821	14.1
195.15613	1.1
196.14224	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03945	1.6
55.01875	29.9
55.05517	7.0
57.03443	1.2
57.07068	2.0
59.04992	1.0
67.05511	14.5
68.99793	22.4
69.03446	3.6
69.07069	6.6
69.62729	3.1
70.06589	2.3
70.94267	0.7
71.04993	12.2
79.05494	16.2
81.03407	3.3
81.07060	18.9
83.04986	4.6
83.08621	2.4
85.06561	2.3
85.10185	9.2
87.04459	3.3
89.03894	1.2
91.05482	7.6
93.07051	20.4
95.04971	2.1
95.08611	6.4
97.06535	100.0
97.10177	0.8
98.06065	4.3
98.06844	1.2
105.07050	5.3
107.04940	5.0
107.08597	13.7
109.06515	11.0
109.10160	8.2
111.04436	2.1
111.08067	3.8
113.06027	0.8
115.05443	1.0
117.03396	2.6
117.07015	3.8
119.08594	1.6
121.06513	3.8
121.10144	4.4
123.08064	1.5
125.06028	1.5
125.09649	13.1
125.31323	0.7
131.08609	4.2
133.10153	3.1
135.04431	0.9
135.08054	6.0
135.11697	11.0
137.09622	1.0
139.07585	1.2
139.11160	1.2
145.02904	4.6
148.97325	0.9
149.06029	1.8
149.09621	4.4
149.13269	3.4
149.97241	1.1
150.09171	0.8
151.11232	1.1
153.09111	37.9
159.11696	4.5
163.03856	1.3
163.41418	0.7
167.07111	1.1
167.08527	0.9
168.13820	1.8
177.05496	4.8
177.06943	1.4
177.09186	1.3
177.12778	5.7
179.08607	1.0
180.09340	1.9
195.02861	1.8
195.08215	1.7
195.10188	6.8
195.11798	1.5
195.13847	9.2
195.15742	2.0
196.16975	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	196.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01162	6.7
69.47363	22.1
80.13602	5.6
81.47868	7.2
84.39211	5.7
87.87917	6.5
90.14281	6.1
97.10083	6.0
98.22698	12.6
112.18033	6.3
137.06871	7.9
138.05295	8.5
159.61279	6.3
179.09053	21.5
196.04831	100.0
196.87883	31.0
197.10150	7.8
197.85358	7.7
205.65598	6.9
208.61264	6.0
211.20805	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	196.0606
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
53.03936	0.9
65.03923	2.5
67.05511	0.9
68.99801	0.6
80.05022	20.1
81.07047	0.8
87.00837	6.8
89.02298	0.5
91.05488	2.0
92.05007	6.4
93.03399	1.4
93.07034	3.9
94.25402	0.5
95.04944	1.1
98.76961	0.5
101.85306	0.6
103.05534	3.3
103.06138	0.7
104.05010	3.7
105.07045	0.6
108.04484	68.8
109.04834	0.9
110.06046	72.9
110.36848	0.5
111.04427	1.2
111.06374	1.6
117.64770	0.5
121.06509	33.2
122.06012	0.5
122.06823	0.8
132.04468	11.8
136.03944	100.0
137.04268	2.4
146.03215	0.7
150.05434	0.8
150.96948	0.8
152.36723	0.6
154.04950	0.9
160.03947	13.8
173.98465	0.8
178.04996	72.4
179.05286	2.3
196.06038	7.3
196.09651	1.4
196.17006	0.7
197.06003	1.2
218.06454	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	196.0969
Annotation	3-methyltyrosine zwitterion
Peak:m/z	Relative Intensity
53.03944	1.7
54.53021	0.2
55.01854	0.4
64.38333	0.2
64.68636	0.2
67.05500	0.2
70.78285	0.2
70.78606	0.3
70.95867	0.4
73.14532	0.2
77.03951	0.3
79.05497	0.2
80.05029	0.3
81.03429	0.2
91.05486	6.5
93.07043	11.7
93.92700	0.2
94.06613	0.2
94.07370	0.2
95.04981	1.6
96.05309	0.2
103.05473	7.3
104.05759	0.3
105.04528	0.8
108.04462	0.2
110.06073	0.3
121.06506	100.0
122.06034	0.3
122.06842	2.8
132.95821	0.4
136.03989	0.5
136.07555	0.4
137.05959	0.2
138.09081	0.3
150.96890	0.6
151.03911	0.6
160.07518	0.2
164.07045	0.2
173.98506	0.3
178.04924	0.4
178.08649	0.4
179.07002	0.3
196.06126	0.3
196.09706	2.3
196.17053	0.4
196.91827	0.2
197.10068	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	196.097
Annotation	3-methyltyrosine zwitterion
Peak:m/z	Relative Intensity
51.02366	0.2
53.03945	1.4
55.01858	0.4
56.56118	0.1
56.96552	0.2
65.03934	0.2
70.25373	0.4
70.95868	0.2
72.32748	0.1
72.93806	0.2
76.03989	0.2
77.03928	0.4
79.05470	0.2
80.05032	0.3
81.03410	0.4
91.05486	7.1
92.05807	0.2
93.07049	11.9
94.07370	0.4
95.04975	1.9
100.55782	0.2
101.89997	0.1
102.04671	0.2
102.05564	0.2
103.05474	8.1
104.05797	0.1
105.04530	0.7
108.04478	0.3
110.06031	0.4
121.06512	100.0
122.06032	0.3
122.06844	2.5
123.16295	0.2
132.95839	0.4
136.03966	0.4
137.05962	0.3
138.09175	0.2
150.09161	0.2
150.96921	0.3
155.97423	0.2
173.98521	0.3
178.05035	0.3
178.08665	0.3
196.09709	2.0
196.16943	0.4
196.91837	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	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42205	0.3
50.74513	0.2
51.02372	0.6
53.03951	5.5
55.01869	0.8
55.05503	1.9
57.03440	3.1
57.07076	1.0
63.99177	0.3
65.11588	0.3
66.94764	0.2
67.05511	2.2
67.25661	0.3
67.81889	0.2
69.03433	0.7
69.07056	1.1
69.13704	0.3
69.85312	1.0
71.04992	0.8
77.03923	1.2
79.05492	8.3
81.03416	0.8
81.07054	2.7
81.98504	0.3
83.05003	0.4
83.08618	1.1
85.02901	0.9
86.09704	0.3
88.11079	0.2
91.05470	2.0
93.07036	2.5
94.17239	0.3
95.04974	8.3
95.08611	1.7
96.08114	0.4
97.02880	1.4
97.06522	0.7
97.10160	0.6
99.04472	0.9
105.03392	100.0
105.04543	3.1
105.07014	3.3
106.03731	2.8
107.04982	0.4
107.08604	3.9
109.02931	0.4
109.06520	1.8
109.10165	1.0
110.09674	0.4
111.04452	0.4
111.08087	3.0
111.98547	0.3
113.05988	0.4
115.05482	0.5
119.08578	1.0
120.04440	1.1
121.06532	0.6
123.04430	6.2
123.08073	0.8
123.11744	0.4
125.05993	0.9
127.03919	10.1
132.95850	0.8
133.06529	0.3
133.10132	3.9
135.11685	2.4
137.05951	1.2
137.09625	1.0
138.09131	0.4
150.96883	1.0
151.03926	1.1
151.07529	1.0
151.11211	0.8
161.09608	2.1
165.01791	0.3
165.05498	0.3
166.08629	0.5
167.03525	0.4
169.10156	0.4
173.98517	0.9
179.07045	4.5
179.10654	5.1
193.30463	0.3
197.04399	0.5
197.06038	0.6
197.08113	0.8
197.11688	3.5
197.13211	0.5
198.11177	0.3
198.18529	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01875	2.8
55.05504	1.3
57.07071	0.9
58.10546	0.3
65.03947	2.8
65.91526	0.2
67.05508	3.1
67.29711	0.3
68.99780	0.4
69.07066	1.3
70.95870	0.7
71.01346	0.3
71.04995	0.4
71.08630	0.3
72.93793	0.3
73.02920	21.0
74.75799	0.3
77.03923	0.4
79.05483	0.7
81.03440	0.4
81.07056	0.6
83.08620	1.2
86.06027	0.3
89.03909	0.3
91.03937	0.4
91.05482	3.1
92.05009	0.4
93.03416	1.0
93.07067	0.7
95.01331	0.5
95.04985	1.6
95.08580	0.7
97.06532	0.6
97.10163	0.7
98.23456	0.5
100.76637	0.3
105.03416	0.3
105.04513	0.3
107.08594	0.6
108.02092	2.1
109.02853	0.5
109.06529	0.5
110.03669	2.6
111.04456	1.8
111.98477	0.7
119.04948	2.0
120.04454	0.2
121.03994	0.3
123.04440	0.8
125.05995	14.7
126.06350	0.3
126.75088	0.3
129.99521	0.3
132.95837	1.4
133.02893	0.3
133.10152	0.4
135.11705	0.3
136.01511	0.3
137.06003	1.3
137.06950	0.3
137.09502	0.3
138.05521	1.4
141.05472	3.0
147.39714	0.3
149.05989	3.2
150.96941	1.8
151.03917	100.0
151.05011	10.1
151.07428	3.2
152.04271	3.2
152.05391	0.5
155.97429	0.8
156.06561	1.0
161.09705	0.4
165.05475	0.3
173.98512	1.5
179.07034	17.2
180.07385	0.7
182.05821	0.3
184.06068	2.5
193.71744	0.3
197.00952	0.4
197.04427	1.0
197.08308	3.7
197.11565	0.3
198.18541	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.33483	0.4
53.03950	0.8
55.01880	2.7
55.37131	0.3
56.80462	0.3
57.07061	0.4
58.48741	0.3
64.54401	0.3
65.03936	3.0
66.56451	0.3
67.05505	3.1
73.02923	17.7
73.49787	0.4
77.03926	0.5
83.08629	0.4
84.02146	0.4
91.05496	2.5
93.03413	1.6
95.01261	0.4
95.04979	1.3
98.22552	0.8
108.02097	3.1
110.03682	2.7
111.04437	2.1
117.03333	0.4
119.04957	2.1
121.04011	0.6
123.04457	0.4
125.05997	12.1
136.01534	0.6
137.05994	1.2
141.05457	3.0
149.05989	2.9
151.03922	100.0
151.05026	12.9
151.07391	2.5
152.04269	2.9
179.07036	16.7
180.07349	0.6
197.08110	4.4
198.18546	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.57320	0.4
51.02372	0.5
53.03954	5.6
53.33826	0.3
56.91978	0.3
57.03431	1.1
58.88803	0.3
59.25858	0.4
70.56915	0.5
70.57245	0.5
77.03907	1.7
79.05503	3.8
81.03399	0.7
81.07075	0.5
87.09917	0.3
91.05493	0.5
91.64871	0.4
93.07049	0.3
95.04971	6.1
105.03397	100.0
105.04541	3.6
105.07045	0.8
106.03142	0.3
106.03742	2.3
107.08604	1.5
123.04424	3.8
133.10168	1.2
135.11691	1.1
151.03923	0.5
161.09668	0.5
179.07030	2.1
179.10701	2.2
179.12086	0.3
188.35155	0.3
197.11757	1.2
198.18567	2.0
198.23061	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	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02380	0.8
52.61408	0.3
53.03727	0.3
53.03951	5.0
54.17258	0.3
55.01865	0.5
55.05513	9.3
57.03439	1.6
57.07066	0.8
61.31948	0.3
63.44358	0.3
65.03945	0.3
67.05499	1.1
69.03426	0.6
69.07057	2.1
70.95866	0.7
71.04987	1.1
71.08788	0.4
71.09172	0.4
72.93811	0.5
77.03925	1.1
79.05489	4.0
81.03413	0.8
81.07062	1.6
83.04983	7.8
83.08617	1.2
84.04512	0.4
91.05466	1.2
93.07040	1.3
95.04972	6.6
95.08614	0.5
97.06549	1.4
97.10165	0.6
105.03394	100.0
105.04544	3.0
106.03724	2.6
107.04974	0.4
107.08613	0.6
109.06526	0.9
109.10154	1.1
111.04427	0.5
111.98467	0.5
113.06005	0.8
119.08585	0.7
119.17883	0.3
123.04428	3.4
132.95847	1.1
133.10167	0.6
136.58203	0.3
137.05937	0.6
137.09599	1.9
139.03912	0.4
150.96831	1.8
151.11162	0.6
155.97433	0.9
161.09688	0.4
167.03429	0.8
173.98537	1.3
179.07050	3.0
179.10648	1.0
181.04919	2.0
182.05763	4.6
197.06242	0.3
197.08073	6.5
197.09708	0.4
197.11760	1.4
197.13362	0.5
198.18536	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	1.8
55.01873	1.3
55.05500	3.8
55.40371	0.8
57.07067	2.4
59.04998	3.8
65.03931	1.4
67.05508	6.2
69.03445	1.3
69.07066	2.9
70.42773	1.8
70.82030	0.9
70.95866	1.3
71.08594	0.9
77.58427	0.9
79.05504	7.0
81.07046	7.2
83.04989	1.1
83.08577	2.0
85.06551	1.7
89.32063	0.8
91.05483	23.6
93.07050	23.1
95.04967	8.6
95.08607	3.1
96.23765	1.0
97.06506	0.9
97.27218	0.8
98.04481	0.8
105.07040	31.9
107.08598	67.5
108.08891	0.8
109.06535	4.3
109.10167	5.0
111.08091	1.1
117.07037	0.8
119.04921	2.5
119.08589	7.9
121.06523	6.3
121.10183	1.2
123.04421	3.7
123.08040	1.3
123.11703	3.4
131.08568	2.6
132.95798	1.1
133.10136	64.2
134.10457	2.1
135.08092	1.7
135.11700	55.1
136.11995	1.8
137.05980	3.3
137.09639	4.4
143.08569	1.5
146.07259	0.9
150.96950	1.6
151.11171	7.0
161.09637	30.2
162.09988	1.8
173.98477	1.6
179.10680	100.0
180.11058	2.5
197.11742	67.4
197.35907	1.0
198.12215	1.7
198.18536	36.1
207.41267	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02371	1.3
53.03956	4.8
55.01877	1.0
55.05507	2.1
57.03424	1.6
57.07077	1.9
59.05001	1.4
65.03947	0.7
67.05500	2.5
69.03446	1.1
69.07060	1.9
69.48051	3.5
75.28329	0.6
77.03947	1.8
78.14419	0.7
79.05498	6.8
81.03433	0.7
81.07057	4.2
83.85661	0.6
85.06544	0.9
90.81043	0.7
91.05479	12.5
93.07045	15.9
95.04978	11.1
95.08613	1.5
97.10240	0.6
105.03397	100.0
105.04538	3.4
105.07036	18.6
105.07757	0.8
106.03728	1.9
107.08602	43.7
109.06538	3.2
109.10191	4.5
117.07042	0.7
119.04980	1.1
119.06091	0.9
119.08607	5.9
121.06515	3.6
121.10123	0.9
123.04457	4.7
123.08026	0.7
123.11716	2.1
128.29616	0.7
131.08571	1.6
132.95782	0.8
133.10136	45.0
134.10464	0.8
135.08109	1.6
135.11697	36.7
136.12074	1.2
137.05975	2.5
137.09613	3.0
143.08585	0.8
146.07281	1.0
149.09531	0.6
151.11134	4.3
161.09625	21.1
179.07132	2.8
179.10681	71.1
180.11026	2.8
197.11745	45.1
198.12071	0.8
198.18533	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	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.47913	0.6
53.03952	1.1
55.01878	2.1
55.05510	5.1
57.03448	0.8
57.07075	1.3
59.05011	1.1
61.02924	1.1
65.03946	1.4
67.05505	3.3
69.03428	2.0
69.07065	1.8
71.05014	1.4
71.08616	0.7
73.02939	0.6
79.05497	7.0
81.07056	7.5
83.04983	0.8
83.08611	1.9
91.05486	15.7
93.07050	13.3
95.04967	2.2
95.08611	3.4
97.06538	1.1
97.10187	0.8
98.22586	1.3
99.04454	0.9
100.07590	0.6
103.05462	0.5
105.03407	1.8
105.07034	23.5
106.07361	0.7
107.08598	100.0
108.08924	2.4
109.06519	5.4
109.10168	5.5
115.05454	1.1
117.07063	1.0
118.07803	0.8
119.04942	1.8
119.06069	1.7
119.08590	9.7
121.06516	4.1
121.10142	7.2
123.08086	1.2
123.11717	1.7
125.06010	5.6
127.03916	2.1
128.06192	1.0
131.08629	2.4
132.05681	0.8
133.06529	1.0
133.10135	58.4
134.10461	1.8
135.08012	0.9
135.11691	9.4
137.05978	11.1
137.09590	3.5
139.07553	2.0
143.08536	2.3
146.07227	1.5
149.09636	3.9
150.96870	1.6
151.07530	1.5
151.11179	10.3
155.97485	0.6
161.09621	16.1
167.10683	10.5
173.98433	0.7
179.10675	28.4
180.10962	0.6
182.06032	0.5
197.11729	43.8
198.12149	0.8
198.18530	28.0
201.30980	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	197.1174
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
50.73588	0.8
53.03931	1.1
54.28718	0.7
55.01867	1.3
55.05510	5.7
57.03425	1.5
57.07068	2.5
57.67665	0.8
59.04991	2.1
65.03936	2.1
67.05507	12.5
69.03432	5.6
69.07076	5.0
70.95850	1.2
71.04996	2.5
72.93790	1.1
73.05576	0.7
79.05116	0.9
79.05502	8.3
81.03425	13.9
81.07062	16.8
83.04962	2.1
83.08607	2.0
84.24277	0.8
91.05484	76.9
93.07049	22.4
95.04971	17.0
95.08621	8.5
97.02855	1.5
97.06532	1.6
97.10182	1.9
103.05436	0.9
105.07038	28.1
106.06555	1.6
107.08598	43.5
108.08936	1.0
109.06521	23.6
109.10155	25.0
111.08102	1.0
111.98504	1.0
117.07059	1.2
119.04922	1.3
119.07780	1.3
119.08587	13.7
121.06458	2.3
121.10142	2.4
123.04441	4.1
123.08078	4.9
123.10916	0.8
123.11681	5.1
125.05990	1.5
127.03966	1.0
131.08562	2.0
132.95834	2.3
133.06493	1.1
133.10132	53.8
134.10475	1.7
135.08038	2.5
135.11694	22.9
136.12042	1.2
137.05991	2.4
137.09619	22.0
141.07004	1.2
143.08543	2.3
146.07298	2.2
150.96880	3.1
151.03864	1.1
151.11189	31.0
155.97437	2.0
161.08278	1.3
161.09621	23.0
162.09937	1.5
167.08525	0.9
169.10196	1.1
173.98433	1.9
179.10678	100.0
180.11052	4.2
181.10152	2.0
182.10904	1.0
197.11734	35.8
197.13179	2.0
198.12764	1.5
198.18535	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.16067	0.4
53.03950	1.0
55.01868	0.9
55.05513	3.0
57.07073	1.4
57.10262	0.4
59.05000	0.7
61.02931	1.2
62.40362	0.5
65.03949	0.9
65.37100	0.4
67.05510	3.4
69.03434	1.9
69.07066	2.0
70.30290	1.5
71.05000	0.8
73.02914	1.0
79.05074	0.6
79.05501	7.0
81.07058	7.1
83.04996	1.2
83.08606	1.0
91.05490	18.6
93.07050	19.3
95.04972	2.1
95.08615	5.1
97.06534	2.1
97.10206	0.6
99.04461	0.8
105.07037	30.5
106.07355	0.8
107.08601	100.0
108.08925	2.4
109.06512	3.5
109.10178	5.3
111.08065	0.5
113.06004	1.4
117.07053	1.1
118.07819	0.8
119.04955	1.5
119.06055	1.0
119.08585	15.9
121.06483	2.3
121.09303	0.9
121.10155	16.3
122.10519	0.6
123.04397	0.7
123.08091	2.1
123.11694	3.2
125.09660	1.7
128.06229	1.1
131.08607	2.9
132.05719	0.7
132.95827	0.8
133.06488	1.4
133.10136	61.3
134.10500	2.2
135.08087	0.6
135.11703	1.1
137.05994	2.1
137.09612	3.3
139.07553	3.1
143.08551	2.5
146.07275	1.5
149.09633	10.6
150.96938	1.1
151.07608	2.5
151.11189	18.7
155.97346	0.7
161.08296	0.7
161.09625	15.9
167.10689	26.1
168.10965	0.6
173.98532	0.7
179.10684	33.8
180.11061	1.0
197.04391	0.7
197.11739	41.4
198.12057	1.4
198.18536	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05515	4.9
57.03442	0.5
57.07082	2.3
59.04990	0.9
67.05509	7.1
69.07071	4.0
70.95876	1.6
71.01353	100.0
71.04991	3.3
72.01691	1.2
72.93792	0.7
79.05506	1.4
81.07053	4.2
83.05001	1.4
83.08614	8.0
85.06574	1.5
85.10181	9.9
85.10663	0.7
91.05468	6.4
93.07045	4.5
95.04955	2.5
95.08595	3.3
96.92248	0.5
97.06538	4.6
97.10177	1.4
105.07030	1.6
107.08598	12.2
107.09296	0.9
109.06515	1.1
109.10154	25.7
110.10503	0.6
111.08083	6.6
111.98468	1.5
113.06008	1.0
113.09655	1.0
119.08603	0.8
121.06482	0.6
121.10192	1.1
123.08061	0.7
125.09628	10.5
127.11211	1.6
129.99458	0.9
132.95831	2.1
133.10146	0.9
137.09608	1.6
139.07524	4.8
141.07047	0.4
150.96921	2.9
151.11217	0.8
153.09132	1.4
153.12674	0.5
155.08578	1.8
155.10664	63.3
155.97435	1.3
156.11032	1.7
161.13318	0.5
163.47261	0.5
173.98511	2.0
179.10669	1.4
179.14409	0.5
182.10963	0.8
191.71309	0.5
197.11728	18.5
197.13214	1.3
198.18526	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	197.1538
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03946	3.3
53.65109	1.3
55.01870	3.0
55.05515	31.1
57.03443	3.5
57.07075	5.1
67.05506	36.3
69.03427	1.7
69.07069	26.1
70.36095	3.0
71.05002	14.0
72.93796	1.7
73.06525	1.3
79.05495	20.4
81.07059	81.1
83.04983	6.7
83.08614	18.0
85.06541	13.2
91.05476	24.1
93.07047	26.9
95.08613	100.0
96.00916	1.3
96.08999	1.6
97.06529	23.6
97.10144	6.8
99.08107	4.8
105.04514	1.4
105.07037	25.2
107.08587	12.2
109.06545	4.6
109.10181	6.1
111.08059	6.7
111.98444	1.4
119.08585	38.5
121.10158	9.7
123.08090	9.0
127.07558	1.6
131.08539	1.2
132.95816	3.1
133.10133	23.5
135.11705	17.1
137.09615	2.1
137.13263	17.1
150.96913	2.1
161.13271	51.5
165.24847	1.4
173.98558	2.8
179.14330	20.0
197.15410	8.9
198.18550	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
51.76039	0.8
51.77733	0.7
53.03950	2.3
55.01880	3.8
55.05513	23.9
57.03432	3.8
57.07076	5.5
59.05016	1.0
62.18746	0.7
65.03931	1.2
67.05508	29.3
69.03438	1.1
69.07072	24.2
70.81859	0.9
70.95874	2.9
71.01357	43.0
71.04996	15.7
71.08633	1.8
72.08170	1.5
72.93799	2.3
79.05495	16.9
81.07059	53.1
82.07384	1.2
83.04993	5.4
83.08624	24.0
85.06546	16.0
85.10181	4.5
87.04463	1.3
91.05483	31.0
93.07041	19.1
95.04980	2.7
95.08611	62.7
96.08940	1.6
96.42395	0.8
97.06532	31.3
97.10173	5.7
99.08097	3.7
100.07646	1.5
105.03421	1.0
105.07036	16.6
106.53328	0.8
107.08593	12.9
109.06537	2.8
109.10160	15.2
111.08091	8.5
111.98497	2.5
113.06044	1.4
113.09620	1.3
117.07009	1.5
119.08588	24.6
121.10129	6.6
123.08075	6.2
123.11744	1.4
125.09620	6.2
127.07564	1.1
129.99516	1.2
132.95851	5.5
133.10141	19.6
135.11702	12.7
137.02528	0.7
137.09637	3.5
137.13249	9.4
139.07567	2.0
141.07042	0.9
150.96901	9.1
151.11229	1.4
155.08560	2.8
155.10663	29.7
155.97472	2.6
156.09491	0.9
161.13264	34.3
162.13712	1.0
167.08572	1.5
169.10144	1.5
173.98521	5.6
174.98984	1.0
179.10735	3.4
179.14323	18.8
182.10887	1.0
197.11682	7.6
197.13318	4.3
197.15308	10.0
198.18535	100.0
201.79286	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	197.1538
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03952	2.2
55.01871	4.4
55.05514	32.8
57.03440	2.9
57.07076	3.9
63.86397	1.3
65.03960	1.7
67.05511	36.4
68.10101	1.2
69.03428	2.1
69.07072	24.3
70.31964	1.2
70.35546	4.9
70.95884	3.0
71.04997	12.0
71.36301	1.6
72.93806	2.1
73.06541	2.6
79.05491	17.2
81.07062	82.8
82.07397	2.2
83.04983	6.4
83.08620	22.3
85.06550	14.0
88.58328	1.5
91.05482	21.6
92.31492	1.3
93.07046	24.5
95.04984	2.9
95.08608	100.0
97.06542	27.5
97.10146	8.0
99.08107	6.2
105.07036	25.8
107.08595	12.1
109.06526	3.5
109.10161	6.9
111.08091	7.3
111.98502	1.6
113.06027	1.5
119.08588	33.4
120.08968	1.9
121.10141	10.9
123.08096	7.7
132.95851	4.5
133.10129	21.7
135.11700	17.5
137.09651	4.0
137.13258	17.3
142.63062	1.4
150.96892	5.0
159.56329	1.4
161.11931	2.9
161.13263	52.9
173.98444	2.4
179.10689	1.5
179.14308	20.7
197.15427	6.1
198.18538	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05503	3.1
57.07072	1.7
68.05019	1.4
69.07051	1.9
70.06593	1.3
70.17985	2.6
70.51563	1.0
71.08619	0.8
82.06575	1.4
83.06098	3.6
83.08620	1.9
84.04495	2.9
85.02880	3.6
93.04518	2.9
95.06089	9.6
96.08167	1.0
97.28381	0.9
98.22645	1.1
100.02454	1.7
100.11251	1.0
103.02387	0.9
104.37122	1.0
110.07171	100.0
124.07551	1.5
127.03964	1.0
130.04933	1.1
131.01906	1.5
134.07123	0.9
147.01344	1.0
152.07074	2.1
152.08185	16.1
156.07695	20.5
170.03056	1.5
180.07703	2.8
198.08720	4.3
198.18536	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.3
50.55984	0.3
51.02381	0.7
53.03952	4.7
55.01881	1.8
55.05510	0.5
62.41121	0.3
65.03947	3.6
67.05515	3.2
69.03445	0.3
69.07061	0.5
69.63730	1.4
74.09728	2.0
75.94630	0.4
77.03924	1.2
81.03410	0.9
81.07059	0.3
82.04213	0.4
83.04980	0.4
83.08628	0.5
92.02613	0.3
93.03400	1.2
93.07035	0.3
94.04246	0.3
95.04975	25.3
96.05281	0.5
97.02911	2.1
97.10166	0.3
98.97598	0.6
100.07631	0.6
105.04517	2.9
107.01335	0.5
109.06499	0.4
110.03682	2.1
111.04451	2.7
116.97241	2.2
116.98633	0.6
120.02133	0.5
121.02879	2.5
121.03761	0.4
121.07615	0.4
123.03547	0.6
123.04441	11.8
125.02359	16.0
126.02704	0.5
131.99577	0.5
134.95898	0.5
135.09172	0.3
137.02281	0.3
138.03140	0.4
139.03899	1.1
140.04689	100.0
141.05051	2.8
148.96095	0.3
149.02328	0.6
152.93666	0.3
152.96950	0.8
155.07033	12.8
156.07433	0.3
163.08699	0.4
166.02603	0.5
167.03430	1.4
173.08119	1.2
175.98482	1.4
181.04964	4.7
184.03696	0.4
199.06033	1.1
199.18903	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	199.0965
Annotation	3,4,5-Trimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
53.03950	6.7
55.01871	2.8
55.05510	4.6
56.05833	0.9
56.12600	0.6
57.03468	0.6
57.07065	0.9
58.06598	3.3
60.54066	0.6
65.03935	3.4
67.05517	4.1
69.03416	1.0
69.07072	5.7
70.07395	1.0
70.23756	1.2
70.24094	1.4
71.04987	1.6
72.04525	1.5
72.08157	1.7
74.09720	7.5
77.03962	0.9
79.05503	5.7
79.75701	0.7
81.03434	1.6
81.07059	7.7
83.04982	1.2
83.08632	3.3
84.04481	0.8
84.08154	1.3
84.08947	0.8
86.09708	10.3
91.05484	39.0
92.06278	1.1
93.03407	1.1
93.07047	31.1
94.07394	1.6
95.04968	14.0
95.08618	1.4
97.06521	1.3
98.10478	0.7
98.97584	3.7
100.07607	2.6
100.08276	0.6
103.05470	18.0
105.03406	0.9
105.04498	3.6
105.07003	1.3
107.04965	1.8
107.08594	1.0
109.06524	1.9
109.07648	0.8
110.03654	2.0
111.04439	7.4
111.08086	1.0
112.07619	1.4
116.97218	3.1
116.98615	2.6
119.04942	5.6
120.05736	6.2
121.02913	1.0
121.06509	41.9
121.10082	0.8
123.04409	5.6
123.08106	2.3
123.11724	2.5
124.05170	0.9
125.02356	2.6
125.05989	2.0
131.04936	2.2
131.05994	1.3
131.99562	0.8
133.02881	4.7
134.99702	1.1
135.04422	1.2
135.08066	1.5
135.09180	1.4
137.05975	4.3
138.06772	3.2
139.03889	0.8
139.07553	4.8
140.04684	20.4
143.08560	1.0
147.04395	4.3
147.11749	1.5
148.05206	4.5
149.02359	1.2
149.05981	10.5
151.03908	5.5
152.97006	0.9
153.05476	0.8
153.09111	1.1
154.08582	0.7
155.07042	3.1
157.10069	0.9
163.08676	1.9
166.06261	21.4
166.07654	1.1
167.07030	8.7
171.11743	1.0
175.98564	2.8
176.02255	0.7
181.05081	2.4
181.08592	100.0
182.08920	3.3
182.15390	1.9
198.99278	2.1
199.11023	1.8
199.18903	34.0
200.09187	1.0
200.16451	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
51.02377	0.8
53.03946	4.5
55.01863	1.6
55.05508	0.8
57.07084	0.5
64.19881	0.4
65.03931	1.9
67.05494	0.8
69.07063	0.9
69.23479	3.0
72.08153	0.9
72.26881	0.4
74.09707	1.8
77.03931	1.1
78.04718	0.5
79.05508	2.0
80.06220	0.5
81.07037	0.5
83.08628	0.6
86.09700	3.5
89.03866	0.5
91.05482	36.5
92.05772	0.9
92.06277	1.2
93.03407	1.1
93.07046	25.8
95.04965	6.4
98.97558	0.4
100.07614	0.5
103.05470	19.0
105.03393	1.1
105.04502	2.7
105.07027	0.5
106.04183	1.2
107.04956	1.6
108.05734	0.6
109.06531	0.5
110.03686	1.9
111.04460	2.0
116.97260	0.4
119.04948	6.8
120.05730	6.6
121.06508	36.7
122.06814	0.6
123.04434	3.9
123.08103	0.5
124.05213	0.5
124.29630	0.4
125.06000	2.3
131.04913	1.3
131.06044	1.3
133.02859	4.3
133.06491	0.5
134.03604	0.5
135.08047	1.2
136.05171	1.4
137.05972	4.9
138.06763	4.1
139.07500	1.0
140.04678	1.9
147.04414	3.8
148.05205	4.3
149.02350	2.4
149.05988	10.3
151.03912	5.7
153.05510	0.8
153.09050	0.4
163.03911	0.4
163.07390	0.4
166.06258	22.0
167.06885	0.6
175.98486	0.5
181.08594	100.0
182.08960	3.1
199.09543	0.9
199.11157	0.7
199.18896	8.4
200.16464	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	200.1282
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05513	0.4
56.05035	0.9
56.62369	0.3
57.03441	1.0
58.75293	0.3
66.12773	0.3
69.03434	0.7
69.07063	0.7
70.02957	0.3
70.06586	1.3
71.08628	8.2
72.08141	0.3
79.05465	0.3
81.07079	0.3
83.04967	0.3
84.04507	15.3
84.08147	0.6
85.02905	26.4
85.06511	0.3
86.03276	0.7
86.09719	1.0
86.20661	0.3
87.04471	1.1
88.11276	2.0
95.01337	2.1
96.08141	0.4
102.05541	14.8
112.03970	1.7
113.02378	0.6
127.03953	0.4
130.05000	100.0
131.05339	1.3
152.07059	0.3
154.08754	0.4
154.93568	0.3
166.69968	0.3
172.07588	0.7
172.13313	1.4
173.05911	0.5
200.12813	84.7
201.05437	0.7
201.08968	0.3
201.13132	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	200.1282
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05505	0.2
56.05027	0.6
57.03438	0.9
69.03432	0.8
69.07053	0.4
70.02972	0.2
70.85474	0.3
71.08630	7.4
72.08947	0.2
84.04501	8.9
85.02901	19.4
86.03228	0.4
86.09708	0.3
87.04484	1.2
88.11265	10.2
95.01317	1.3
97.77361	0.2
98.06066	0.6
98.97544	0.2
102.05535	8.6
105.56977	0.2
112.03992	1.1
113.02359	0.3
130.04996	48.8
131.05331	0.7
133.38646	0.2
141.04984	0.3
148.12297	0.3
172.13306	3.2
173.05977	0.2
200.12804	100.0
201.13161	3.2
209.78938	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	200.1646
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
53.03923	0.6
55.05272	0.5
55.05512	4.9
57.03435	0.8
57.07056	0.6
58.06320	0.8
58.06601	14.2
67.05238	0.4
67.05509	4.7
68.05032	0.4
69.06733	0.7
69.07071	8.1
69.34702	1.3
69.35107	1.3
70.06577	0.8
71.05006	2.1
72.08155	1.1
74.09719	0.7
79.05494	2.1
81.06586	0.9
81.07057	17.7
83.04968	1.0
83.08614	3.0
84.04482	0.7
84.08140	3.2
85.06544	2.2
86.06082	0.4
86.09695	1.7
91.05484	2.2
92.05813	1.3
93.07037	1.6
94.06559	0.5
94.07365	0.7
95.04974	1.0
95.08612	4.6
97.06526	1.1
98.06033	0.7
98.09674	1.1
98.97576	0.8
99.08080	0.7
104.05769	0.6
105.07024	2.8
106.07330	0.6
107.08585	1.0
108.08024	0.4
109.02898	0.6
109.06521	2.3
112.04729	0.6
112.07623	3.8
113.06018	0.9
116.98637	0.9
119.08588	2.8
121.06501	0.8
121.10136	2.9
122.06822	1.6
123.08062	1.5
123.11710	7.3
124.04782	0.6
126.09151	1.2
127.03922	0.5
127.07566	1.1
130.08670	1.1
130.92163	0.4
136.07607	0.7
137.13274	0.5
140.04630	0.5
140.07120	0.6
141.05016	1.4
147.11707	5.9
150.06322	0.6
154.08583	0.9
164.14381	0.5
165.12747	1.3
167.06596	1.3
182.09000	4.7
182.11682	0.9
182.15408	10.6
183.15550	0.4
200.07280	0.9
200.09175	2.0
200.16460	100.0
201.10916	0.7
201.16766	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	201.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01862	4.0
55.05505	8.0
57.03439	3.6
67.05513	43.4
69.03430	4.3
69.07069	7.0
70.06608	5.0
70.99302	2.6
70.99624	2.9
71.04985	6.3
79.05486	11.4
81.03461	3.2
81.07062	48.3
83.08632	2.9
84.04501	2.9
85.06563	2.6
86.09706	9.5
91.05488	9.6
93.07067	11.9
95.04953	4.8
95.08613	21.6
97.23045	2.2
99.04439	4.4
99.08093	3.3
105.07030	17.8
107.08598	9.3
109.06527	5.3
109.10163	100.0
111.04477	2.9
115.05457	4.9
117.07026	12.2
118.96828	4.1
119.08590	13.5
121.10148	10.2
123.05535	6.0
123.11717	10.5
125.05983	12.7
127.09515	3.0
129.07036	7.7
130.07808	7.2
131.08594	20.1
133.10129	6.9
137.09622	86.5
137.21576	2.6
141.06981	3.6
143.08546	5.8
145.10141	45.5
147.11703	3.8
155.10669	21.0
157.10155	8.9
158.07254	6.9
159.08093	3.1
159.09204	2.9
159.11697	33.7
160.07600	24.3
165.09155	18.5
165.12785	4.2
171.11816	3.1
173.05978	8.7
173.09515	4.1
173.13246	11.8
183.10211	3.1
186.10406	3.2
201.05489	8.6
201.09145	14.8
201.11099	2.7
201.12701	17.7
201.16377	34.9
202.08748	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	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.42505	0.3
53.03951	0.6
55.05515	1.1
57.03425	0.4
57.07078	0.7
57.32997	0.3
65.03942	0.8
67.05501	4.8
69.03426	1.3
69.07066	1.6
71.30206	0.3
73.80265	0.3
79.05487	3.9
81.03422	0.6
81.07056	5.5
83.04996	0.4
84.07471	0.3
86.09719	0.4
91.05480	11.0
93.07042	7.1
95.04973	1.5
95.08614	3.4
99.85934	0.4
103.05476	0.9
105.04521	0.4
105.07034	13.5
107.08585	4.1
109.06526	1.2
109.10155	1.1
115.05415	1.8
116.06206	2.0
117.07024	6.8
118.96769	2.2
119.08582	21.1
120.08950	0.4
121.06503	2.5
121.10183	2.0
123.05544	0.8
128.06212	4.2
129.07014	8.6
130.07808	3.7
131.08572	38.2
132.08905	0.7
133.10132	39.2
133.99086	0.6
134.10461	1.7
141.06963	1.9
142.07738	3.2
142.08644	0.3
143.08560	33.2
144.05685	1.0
144.09370	8.6
145.06470	3.3
145.10126	44.2
146.07256	0.9
146.10583	1.2
147.07982	0.6
153.07001	1.9
154.96449	0.6
155.05942	0.4
155.08556	3.3
156.09344	2.3
156.47604	0.3
157.06482	2.0
157.07616	0.5
157.10135	6.5
158.07338	3.2
158.10912	40.2
159.08060	9.3
159.11696	18.5
160.08820	1.3
160.12038	0.8
161.09645	1.5
167.08604	0.6
168.09329	2.7
171.08051	10.4
171.09476	0.7
171.11656	4.1
172.08835	11.8
172.12419	1.1
173.09668	12.8
173.13260	100.0
174.10037	0.5
174.13585	5.0
177.98059	1.3
183.11700	5.0
185.09618	1.5
186.10402	38.0
187.10794	1.6
201.12746	72.9
201.16370	19.3
202.13121	3.5
202.16747	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03938	1.1
55.05515	4.2
57.07077	12.7
58.06596	1.8
61.43225	0.6
62.06096	5.2
67.05513	7.3
69.07069	4.4
69.12918	1.0
69.13326	3.7
71.08638	5.2
79.05495	6.3
81.03378	0.6
81.07056	18.6
81.07529	1.2
83.08637	0.7
85.10184	2.5
91.05485	12.6
93.07047	17.1
95.08614	18.2
105.07035	28.4
106.07397	0.7
107.08598	22.8
109.06513	1.3
109.10161	6.1
113.40890	0.7
115.05495	0.7
117.07025	12.7
118.96760	4.5
119.06030	0.6
119.08580	21.0
121.06510	0.6
121.10150	11.3
123.05558	2.0
128.06204	1.5
129.07001	4.4
130.07817	6.9
131.08574	35.3
132.08955	0.9
133.10133	8.8
133.99069	0.8
136.95369	0.6
142.07722	1.2
143.08574	4.9
144.09351	5.4
145.10127	100.0
146.10910	5.9
147.11652	0.9
154.96535	1.3
157.10118	6.2
158.10901	3.8
159.11699	57.5
160.12103	2.1
171.11650	1.7
172.12430	1.1
173.13269	23.4
174.13663	0.7
177.98122	2.9
184.20609	4.9
186.14049	1.8
199.14822	1.0
201.12682	4.1
201.16389	96.5
202.16713	3.8
202.21666	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05516	3.9
57.07075	0.9
67.05511	6.4
69.07074	4.6
69.86138	1.7
79.05494	6.2
80.25171	0.6
81.07060	26.1
83.08625	1.1
91.05478	8.0
93.07054	12.0
95.04966	0.5
95.08610	17.4
98.22637	0.8
103.05506	0.7
105.07035	19.5
107.08602	18.3
107.09206	0.3
109.10160	3.8
109.12638	0.5
115.05416	1.4
116.06208	0.5
117.07027	10.4
118.96792	1.1
119.08587	21.1
121.10148	7.0
128.06209	0.9
129.07004	3.4
130.07796	5.4
131.08572	27.3
133.10143	7.2
142.07794	0.7
143.08525	3.2
144.09360	6.3
145.10129	61.2
146.10919	5.3
147.11662	2.0
154.96468	0.7
157.10168	3.8
158.10919	2.5
159.11696	77.0
160.12109	2.5
171.11710	3.0
172.12462	0.8
173.13258	18.5
177.98076	1.6
186.14101	2.4
199.14879	1.0
201.16393	100.0
202.16711	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03947	1.0
54.21980	0.8
55.05515	2.4
57.07064	2.7
59.24662	0.7
59.25192	0.8
67.05511	9.4
68.07417	0.8
69.07056	4.6
71.08638	2.4
79.05493	7.6
81.07059	18.1
83.08650	0.9
86.09710	1.7
91.05482	11.9
93.07043	18.0
93.07627	1.0
95.08607	18.6
103.05473	1.5
105.07030	30.5
107.08598	21.2
107.09171	0.4
109.10150	7.0
115.05453	1.7
116.06295	1.4
117.07030	13.7
118.96759	2.6
119.06094	1.1
119.08582	20.8
120.08096	2.4
121.10143	9.6
123.05547	0.9
128.06242	1.1
129.07007	3.8
130.07816	8.3
131.08575	40.0
132.04419	0.8
132.09134	0.9
133.10124	8.5
142.07794	1.3
143.08600	6.1
144.09358	5.9
145.10126	100.0
146.10880	5.4
147.11639	0.9
156.13823	1.5
157.10121	7.0
158.10910	4.5
159.11694	59.0
160.07564	1.5
160.12132	2.2
164.03171	0.8
170.31989	0.8
171.11699	3.0
172.12492	1.6
173.05962	1.0
173.13269	23.4
174.05638	1.1
174.13641	1.0
174.53371	0.7
177.98077	1.6
183.11684	1.3
184.13242	1.1
186.14096	2.1
199.14821	1.4
201.05409	0.9
201.12779	6.7
201.16394	98.5
202.04967	1.6
202.08669	1.6
202.16725	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.71078	0.5
53.03952	1.5
55.05519	1.7
55.85392	0.6
57.07080	2.9
58.78160	0.6
61.94268	0.6
67.05506	7.3
69.06747	0.7
69.07057	4.0
69.67795	2.0
69.68195	1.1
71.08636	2.6
79.05500	7.2
81.03429	1.2
81.07061	16.9
83.08629	1.5
91.05486	11.4
93.07049	17.3
95.04989	0.7
95.06107	0.6
95.08616	16.6
103.05476	1.1
104.49516	0.7
105.07035	28.6
106.07375	0.8
107.08602	21.3
109.06507	0.8
109.10155	5.5
111.05574	0.7
111.07410	0.6
115.05456	1.2
116.06232	1.0
117.05711	0.6
117.07018	11.9
118.96796	2.9
119.08585	21.1
120.08882	0.7
121.10152	9.5
123.05562	1.8
128.06250	0.8
129.06981	2.9
130.07800	6.6
131.08572	35.4
132.08891	0.8
133.10130	9.2
133.99104	0.8
143.08577	4.7
144.09357	5.6
145.10130	100.0
146.10944	5.2
147.11658	1.0
155.08569	0.8
157.10158	3.7
158.10944	3.7
159.11699	50.1
160.12096	2.4
171.11694	2.6
172.12473	1.2
173.09669	0.6
173.13264	21.4
174.05609	0.6
174.13753	0.8
177.09776	0.6
177.98047	1.2
183.11708	0.9
184.03464	1.0
186.14082	1.5
199.14795	1.1
201.05434	0.7
201.12645	3.1
201.16391	97.0
202.16702	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03939	1.2
54.27349	0.7
55.05511	4.5
57.07078	5.7
61.44578	0.8
67.05510	9.2
69.07073	11.8
69.85384	2.7
71.08619	1.8
79.05502	8.2
81.07061	20.7
83.08607	2.5
84.19758	0.8
91.05486	17.5
93.07042	19.4
95.04954	1.7
95.08609	18.3
105.07036	31.4
107.08595	20.2
109.10162	6.4
111.32809	0.7
115.05442	3.3
116.06227	2.0
117.07025	25.8
118.96770	2.8
119.07786	1.2
119.08584	19.6
121.10159	11.4
128.06212	2.5
129.07001	6.7
130.07793	8.6
131.08574	49.8
133.10150	12.5
142.07796	2.1
143.08571	11.9
144.09354	9.8
145.10129	95.1
146.10603	1.9
147.11658	1.6
157.10132	9.8
158.10919	10.1
159.11697	79.2
160.12132	3.1
171.11676	4.8
172.12462	3.3
173.13264	17.9
177.98093	1.6
186.14008	4.5
201.16388	100.0
201.20340	2.5
202.16737	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	202.086
Annotation	Quinoline-2-methanol acetate
Peak:m/z	Relative Intensity
51.46295	0.2
55.01873	0.5
55.05520	0.5
56.05033	2.1
58.99590	2.8
67.05527	0.3
69.07093	0.4
69.64819	1.0
79.05495	1.6
81.07066	1.3
82.06585	0.4
85.01130	5.3
85.01586	0.4
86.00648	1.8
86.09723	0.3
86.99067	1.3
87.02708	0.8
88.02239	0.3
91.05514	0.7
95.04968	0.3
95.08639	0.6
96.08131	0.4
97.08949	0.6
98.09700	2.7
98.23259	0.4
100.02190	0.3
105.00099	0.6
105.07048	1.1
109.10204	0.4
113.04240	2.1
115.05453	4.2
116.06266	0.5
117.05772	2.9
119.08573	0.6
121.10191	0.3
128.06281	0.3
129.06967	0.3
130.06540	0.9
131.01639	0.9
132.01158	1.6
132.08086	1.7
133.10190	0.4
142.06519	6.0
142.44658	0.2
143.07312	12.2
144.04437	4.9
144.07683	0.4
145.05229	10.4
147.11662	0.4
156.08420	1.1
158.09647	1.1
159.04758	0.7
159.06729	0.3
160.07576	100.0
161.07948	3.4
170.06012	9.5
174.09164	0.6
188.06876	0.3
202.08662	11.6
203.08945	0.6
203.10608	0.4
203.17899	1.2
205.06915	0.3
216.80064	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	202.0864
Annotation	2'-Aminobiphenyl-2,3-diol
Peak:m/z	Relative Intensity
51.02387	0.6
53.03943	1.1
54.03469	0.4
55.01874	29.8
56.02217	0.4
59.20220	0.2
65.03954	0.3
72.04504	0.5
77.03944	0.7
79.05506	0.3
81.03401	0.4
82.02950	2.4
84.04517	0.9
88.34253	0.2
91.05483	22.5
93.07044	1.9
95.04976	1.9
96.04504	0.4
96.96216	0.3
100.03998	2.1
102.04718	0.7
103.05470	57.4
104.05070	0.5
104.05801	1.1
105.03421	0.6
105.04551	0.7
105.07047	0.5
106.06554	0.5
115.05454	1.4
117.05798	0.7
117.07030	0.7
118.06549	7.8
119.07394	0.2
120.04524	1.5
120.08109	100.0
121.06531	2.1
121.08470	1.9
128.04971	3.3
128.06175	1.3
129.07010	10.0
130.02905	0.4
130.06555	1.4
130.07417	0.3
131.04945	0.5
131.08571	4.5
132.03445	0.5
132.04453	10.5
132.08093	3.6
132.08989	0.4
133.04854	0.5
133.06485	1.4
141.06981	0.6
142.06511	0.9
145.06546	0.5
146.02393	1.2
146.06012	18.9
146.09637	2.7
146.10605	0.3
150.05551	0.7
154.06505	0.5
155.07339	0.9
156.04552	1.4
156.08093	25.5
157.06494	10.0
157.08470	0.6
159.08063	0.7
160.07591	1.2
172.33104	0.3
174.05518	27.9
174.09140	24.9
175.05885	1.2
175.07452	0.5
175.09453	0.7
184.07585	27.5
185.06007	3.1
185.07924	0.9
202.05005	32.5
202.08627	51.9
202.33650	0.3
203.05342	1.1
203.07170	0.6
203.08939	1.8
217.67393	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	202.0862
Annotation	2'-Aminobiphenyl-2,3-diol
Peak:m/z	Relative Intensity
51.02385	0.6
53.03947	1.2
54.03480	0.7
55.01876	27.6
57.07062	1.7
59.60776	0.3
62.06089	0.8
65.03954	0.3
68.45732	0.3
71.08632	0.4
72.04515	0.6
77.03937	0.4
79.05523	0.3
82.02945	1.7
84.04520	0.7
90.05639	0.4
91.05484	24.0
92.05815	0.4
93.07024	2.2
95.04990	2.2
96.04514	0.4
100.03976	2.0
102.04700	0.5
103.05472	57.9
104.05099	0.3
104.05807	1.5
105.04560	0.8
105.07036	1.1
106.06542	0.4
115.05456	1.3
117.07045	0.6
118.06548	8.2
120.04464	1.1
120.08109	100.0
121.06490	2.0
121.08457	2.4
128.04970	3.4
128.06229	0.8
129.07007	10.0
130.06526	1.3
131.04904	0.5
131.08583	4.8
132.04459	7.9
132.08092	3.7
133.06491	1.9
141.06990	0.6
142.06546	0.8
143.04973	0.4
144.08043	0.7
145.06467	0.5
146.02339	1.1
146.06020	17.8
146.09651	2.9
147.06314	0.5
150.05545	0.7
155.07306	1.0
156.04491	1.0
156.08093	27.5
157.05190	0.5
157.06502	9.3
157.08490	0.9
159.08072	0.6
160.07587	2.5
170.06073	0.3
174.05522	22.6
174.09145	25.2
175.05910	1.0
175.07497	0.4
175.09521	0.6
184.07591	26.7
184.20535	0.4
185.06012	3.5
185.07680	0.6
202.05011	24.7
202.08633	51.4
202.21671	7.4
203.05344	1.3
203.08977	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	202.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01874	1.3
55.05514	8.4
56.05040	18.3
57.98809	0.9
58.99591	32.4
61.01135	1.0
67.05492	0.9
68.05025	1.8
69.07085	0.9
69.24503	1.3
69.24910	2.7
70.06575	0.8
72.08143	0.6
73.02927	0.8
74.00663	1.5
76.02238	7.7
79.05499	30.0
80.05030	1.1
81.07060	21.0
82.06589	8.6
85.01133	100.0
86.00656	13.8
86.01463	0.7
86.99055	16.7
87.02723	0.8
88.02214	4.0
88.03997	2.3
93.07058	0.6
94.06622	0.9
95.04947	1.6
95.08614	0.9
96.08140	2.6
97.01116	0.9
97.08920	7.3
98.09697	28.7
98.23337	1.0
100.02225	0.8
105.00098	8.4
105.07024	1.3
107.08581	0.8
110.09696	1.9
113.04235	36.7
120.01181	2.2
122.09686	2.5
130.06914	0.7
131.01630	1.6
132.01160	12.2
138.05493	2.1
139.05756	1.5
156.08418	7.2
159.04730	0.8
160.07590	0.7
174.05560	0.9
185.06308	4.9
202.08939	11.6
202.10760	0.7
203.18004	0.6
224.12787	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	202.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.92880	0.8
55.01871	2.9
55.05519	8.5
56.05038	21.5
56.67036	0.9
57.62423	0.7
58.99299	1.7
58.99592	36.0
61.01161	1.0
66.74915	0.8
67.05518	1.2
68.00050	0.8
68.05032	1.7
68.30173	0.8
69.07056	1.3
73.87939	1.0
74.00668	2.3
76.02233	6.5
79.05495	25.4
80.05022	1.3
80.05869	1.1
81.03415	2.3
81.07065	18.6
82.06585	9.8
85.01134	100.0
86.00659	21.0
86.98535	1.2
86.99058	17.6
87.02686	3.9
88.02217	3.0
88.03997	3.9
91.05479	2.4
93.07041	3.3
94.06558	1.7
95.04952	1.2
95.08600	2.5
96.08144	3.0
97.08913	8.3
98.09698	32.8
100.02184	1.0
105.00079	6.9
105.07020	4.1
107.08601	1.8
108.08157	1.0
109.08916	1.3
110.09708	2.2
113.04237	37.1
115.05487	1.6
117.05759	1.7
119.08592	3.4
120.01167	2.4
120.08099	1.8
121.10150	2.4
122.09665	2.7
129.07002	1.2
130.06586	1.4
131.01643	4.6
131.02547	1.1
132.01163	16.5
132.08075	1.6
132.08948	1.2
133.10146	2.5
142.06519	2.1
143.07274	4.1
144.04451	2.0
145.05217	3.9
145.10066	1.4
146.10493	1.2
147.11690	1.3
156.08447	10.3
159.04799	6.3
160.07591	37.7
161.07921	1.2
161.13268	0.9
170.06012	4.2
174.09169	1.2
185.06305	4.5
202.08917	19.3
202.10852	1.0
202.16829	1.5
203.14372	1.0
203.17929	2.8
213.47585	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	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19897	0.9
53.46312	0.9
56.05025	1.2
59.11639	0.8
64.52441	0.8
70.06596	14.4
71.06109	3.7
71.28209	0.9
74.06072	1.2
84.04504	1.1
88.08745	4.9
96.25253	0.8
98.79504	0.9
101.00893	1.8
112.07597	2.4
115.08642	0.9
116.07121	6.1
119.01886	1.5
139.58228	0.8
140.07072	4.4
143.01920	1.8
157.09668	1.2
158.08083	1.6
158.12898	2.9
161.02963	3.1
186.07686	1.4
203.05278	100.0
203.14999	7.3
204.05638	1.3
204.08661	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	203.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05513	0.5
55.52943	0.2
56.05041	0.3
58.06601	2.7
60.04531	0.3
67.05505	0.2
68.05032	17.9
69.07092	0.2
70.06597	0.6
72.08160	0.4
79.05489	0.4
81.07064	0.6
83.04982	0.2
84.04547	0.4
85.02884	0.3
86.06071	100.0
86.09711	0.7
87.06396	1.4
90.05533	0.3
91.05491	0.6
93.03414	0.4
96.04500	0.3
98.22626	0.7
98.32044	0.2
99.04489	0.4
101.06030	0.2
105.07022	0.4
114.05519	0.5
120.04481	0.7
121.06511	0.2
124.03934	0.2
129.07010	0.2
130.06537	1.5
133.06456	0.2
139.08701	0.5
147.04404	0.8
147.08098	0.4
148.04166	0.5
157.06442	0.3
157.07635	1.7
157.09709	1.2
157.60896	0.2
158.05977	0.3
161.05946	0.2
175.03876	0.3
175.05948	0.4
175.07452	0.2
176.03418	1.9
185.05952	0.3
185.09189	0.4
203.03366	1.1
203.05261	1.7
203.08305	1.1
203.10263	16.7
203.14282	0.6
204.06721	0.2
204.08722	0.2
204.10561	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	203.1392
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
56.05045	4.9
57.07080	24.8
58.07401	0.5
64.24476	0.6
67.27773	0.5
68.60268	0.6
69.51247	3.0
69.51597	1.0
72.08173	0.9
74.09722	84.8
83.06120	2.7
84.04508	100.0
85.02905	4.4
85.04840	1.0
102.05548	5.9
130.05011	36.6
157.13373	17.8
186.11259	68.6
187.11519	1.7
203.13943	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	203.1392
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
56.05019	0.5
56.96559	0.5
59.29950	0.3
59.43275	0.2
60.04552	0.3
68.05029	0.7
69.07053	1.0
70.06597	14.4
71.04974	0.7
71.06116	3.5
71.28468	0.4
72.08160	0.9
75.42513	0.3
76.35373	0.4
84.04504	1.1
84.08153	1.2
85.02910	0.3
86.06071	1.9
86.09711	100.0
87.10027	1.5
88.08754	4.4
90.05566	0.6
91.05489	0.4
96.04515	0.3
97.02897	0.4
98.06036	0.3
98.97625	0.4
101.00903	1.1
107.35551	0.3
108.64325	0.3
115.08680	0.6
116.07101	5.7
119.01926	1.9
120.04484	0.3
121.01711	0.3
130.06534	8.1
133.09744	0.3
134.05925	0.3
137.03009	0.5
143.01880	0.8
144.06590	0.8
147.04454	0.4
156.97440	0.6
157.07622	12.6
158.06061	0.5
158.08055	0.6
158.09314	0.6
158.11812	0.5
158.12903	2.6
161.02965	2.4
172.10852	0.6
176.03436	1.9
185.07138	0.9
203.03543	0.7
203.05302	2.4
203.08170	7.3
203.10333	0.5
203.15199	6.5
203.18015	0.5
204.08661	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03948	1.5
55.05511	10.7
57.07073	2.1
65.03927	1.2
67.05508	14.8
69.07072	26.6
71.08631	0.8
71.30473	0.9
79.05502	8.9
80.06298	0.9
81.07060	43.9
82.07381	0.9
83.08630	4.9
91.05484	18.9
93.07050	14.5
95.04965	1.3
95.08611	33.4
97.10175	1.3
103.05447	2.1
105.07035	100.0
106.07385	2.1
107.04941	0.9
107.08602	20.2
109.10160	29.7
113.13170	0.7
115.05487	0.8
117.07011	5.9
118.07812	1.4
119.08584	80.5
120.08950	2.0
121.10147	19.3
123.11715	10.7
131.08594	6.7
133.10135	50.6
134.10484	1.6
135.11699	3.3
136.12062	0.9
143.08531	0.9
145.10123	12.5
147.11690	88.6
148.12086	2.8
157.07642	1.2
159.11696	3.5
160.12462	7.5
161.13263	27.4
174.14008	1.6
175.05917	0.8
175.07527	2.3
175.14879	5.4
175.17175	0.8
186.05513	0.8
203.05235	1.8
203.06924	1.7
203.10651	1.4
203.14288	2.7
203.17960	88.9
204.18311	2.7
208.33536	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	204.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81774	1.4
53.03957	2.5
54.42434	1.3
55.01876	10.0
55.05518	33.4
57.07072	6.5
57.98806	1.3
58.99593	72.9
61.01157	9.8
65.03941	2.9
67.05522	2.3
69.03432	1.6
69.07063	5.1
70.06590	1.9
71.28072	1.5
73.01143	17.1
74.00670	4.9
76.02228	19.1
78.52597	1.6
79.05501	10.4
81.07063	63.8
82.06607	1.4
82.07384	2.2
83.08643	12.7
84.04510	4.3
85.01151	4.2
86.99063	44.8
86.99588	3.0
87.02695	3.6
88.02229	5.2
88.03994	5.7
91.05487	4.9
93.07061	5.7
95.04957	1.4
95.08617	3.9
97.02898	2.2
98.09737	1.7
99.02738	2.8
100.11265	100.0
103.05460	1.3
105.00098	17.7
105.07055	4.3
106.07391	1.9
107.08610	5.0
112.11264	1.7
115.05827	19.1
116.05337	10.0
119.08605	5.1
120.01191	2.4
120.08949	2.4
121.02885	3.1
121.06519	14.4
124.11243	2.8
126.05565	3.7
129.06610	2.4
130.06525	3.4
131.08548	2.2
133.10170	2.5
141.07347	8.1
144.06647	1.8
144.08994	2.1
145.10158	5.3
146.10463	1.7
147.11661	2.4
148.12045	3.8
149.02338	26.7
158.06052	3.6
158.09991	34.5
159.10387	1.5
159.21590	1.3
162.13657	1.7
172.04004	1.8
172.08443	1.7
187.07889	68.8
188.08255	2.0
189.08717	1.5
189.56171	1.4
204.06509	4.0
204.10538	35.7
204.13882	4.2
204.18216	4.9
204.19829	3.1
205.04814	1.9
205.12312	3.0
205.15967	3.4
206.77545	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	204.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
55.05509	1.8
56.05040	0.8
57.03446	0.4
57.07080	0.6
60.95702	0.4
60.99164	1.1
67.05515	1.5
69.07094	0.3
69.43104	1.6
71.08643	2.3
72.08155	4.8
75.42863	0.3
78.01833	0.3
79.05495	2.2
81.07062	7.1
82.06573	0.5
86.09708	31.2
87.00713	2.6
87.10042	0.4
88.00249	0.5
88.11285	1.5
88.98636	0.6
93.07052	0.3
98.09702	1.1
101.00829	0.3
103.05453	0.3
105.07043	0.7
110.00947	0.4
114.04581	0.3
115.03799	1.1
119.08563	0.4
121.02859	0.5
121.06529	0.9
123.11712	1.7
131.04950	0.4
134.00749	0.4
142.15915	100.0
143.16249	2.6
148.12093	0.3
149.02342	3.4
186.18547	6.5
204.06628	0.6
204.08524	0.5
204.13794	0.4
204.19603	12.5
205.04953	1.1
205.19984	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	205.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01859	0.6
55.05525	0.4
57.07083	2.6
58.62154	0.4
59.29219	0.3
62.81768	0.3
65.03941	1.9
67.05508	4.6
69.03436	0.5
70.61412	0.5
70.61748	0.8
71.05007	0.5
72.78905	0.4
77.03969	0.5
77.43825	0.4
79.05502	1.5
81.03429	1.0
81.07072	1.3
84.04523	0.7
85.02934	0.5
86.62015	0.4
91.05485	8.6
91.06008	0.6
92.05792	0.4
93.03413	0.5
93.07048	0.9
95.04973	2.2
96.04489	0.7
96.05792	0.4
97.02892	0.4
103.05473	14.4
103.06137	0.9
104.05809	0.5
105.07030	1.8
107.04953	0.6
107.07350	0.6
107.08599	1.3
108.08129	2.9
109.10185	1.0
110.06043	0.6
115.05462	25.3
116.06377	1.8
117.07024	88.9
118.06655	0.4
118.07350	2.5
119.08582	0.9
120.08125	0.8
121.02874	3.0
121.03983	0.5
121.06509	1.1
122.03645	0.7
122.06013	0.4
122.09678	1.2
127.05446	0.5
128.06252	0.5
131.04935	19.8
131.08563	0.8
132.05295	0.5
132.08075	0.5
133.06517	0.6
133.10136	2.1
134.06003	0.4
134.07262	0.6
135.04448	0.5
136.05214	0.5
137.05984	8.8
144.05678	1.8
145.06494	100.0
145.10155	1.3
146.05850	0.8
146.06941	2.8
147.04425	1.6
147.08109	0.5
149.02348	21.4
149.06013	1.1
149.09741	0.5
150.09146	5.2
151.11200	0.8
155.06010	3.4
159.04448	0.5
159.08054	0.8
159.11691	0.8
160.05202	1.0
161.05991	1.7
162.06787	2.7
163.07556	18.8
164.07907	0.8
172.05159	1.1
173.05991	1.7
174.06808	0.5
175.03944	0.6
175.07587	1.2
177.05568	1.3
177.09117	39.6
178.05046	0.5
178.08583	12.9
187.07449	1.7
187.88457	0.4
190.06245	4.4
205.05125	1.9
205.08588	19.3
205.13985	0.5
205.15878	1.4
206.08070	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	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07084	1.1
59.05735	0.5
61.41256	0.5
65.03906	0.7
69.11391	3.1
69.11794	1.0
74.02444	1.4
91.05483	1.9
98.23376	1.2
115.05443	3.6
115.95333	0.6
117.05776	1.6
117.06979	3.9
118.06541	48.2
119.06892	1.2
121.02868	1.3
122.87350	0.6
130.06526	4.3
132.04475	0.7
132.08089	11.4
141.65662	0.6
142.06499	5.0
143.07336	7.4
144.08095	25.1
145.08421	0.8
146.06009	100.0
147.06339	2.5
149.02336	7.9
155.06102	0.9
159.04468	0.8
159.09171	10.4
160.07591	1.6
170.06009	7.6
178.04970	3.9
183.34225	0.7
188.07065	80.0
189.07422	2.5
200.42712	0.6
205.04912	0.7
205.09753	1.1
205.15924	0.7
206.04521	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	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03941	2.6
55.01884	0.5
55.05510	1.5
56.96576	0.4
57.07075	3.0
60.26785	0.4
63.59576	0.4
65.03947	2.3
67.05508	1.8
69.03429	1.8
69.07070	1.9
71.04998	1.0
71.32644	0.6
77.03922	1.1
79.05488	3.4
80.05009	0.6
81.03424	0.9
81.07055	3.5
83.04982	0.9
85.02909	0.6
91.05482	16.4
93.03409	0.8
93.07047	51.0
94.07375	1.2
95.04976	3.6
95.08607	1.9
95.39043	0.4
97.02924	1.0
97.06507	0.9
99.04468	1.6
103.05466	1.5
105.04535	1.5
105.07034	25.3
106.07362	1.1
107.04958	1.0
107.08590	5.9
109.06514	1.4
109.10160	1.4
111.04429	0.6
115.05468	1.9
115.51345	0.5
116.06216	0.5
116.89134	0.4
117.07020	10.7
118.06548	2.7
119.08592	8.6
121.02908	3.7
121.06510	100.0
121.10102	2.9
122.06815	2.2
123.08115	0.7
123.11727	1.2
125.06015	0.6
128.06227	1.3
129.07014	4.6
130.07803	6.7
131.04941	1.1
131.08575	12.7
132.08057	0.6
133.10193	2.3
135.08116	2.1
135.11714	2.4
135.62758	0.4
143.08546	3.7
144.08142	1.1
144.09335	7.9
145.05219	1.9
145.06476	1.7
145.10126	70.0
146.06027	5.1
146.10532	1.8
147.08092	1.2
147.11807	0.6
149.02344	23.7
149.05931	3.2
149.09642	1.6
149.13300	0.8
150.02679	0.6
157.10144	1.5
159.08113	4.2
159.11696	50.0
160.12033	2.1
161.09563	0.9
161.13264	2.0
163.07538	4.1
163.11172	2.7
163.14774	0.5
169.10135	0.9
172.08780	0.9
173.04704	0.6
173.06050	0.8
177.09116	0.7
177.12766	2.6
187.11179	8.1
187.14815	1.3
188.07091	4.2
205.12244	45.7
205.15884	3.9
206.08095	2.3
206.12595	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	206.0448
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
53.03962	0.2
60.26820	0.2
60.27124	0.3
69.41479	0.5
69.41885	0.7
72.60593	0.3
86.89198	0.3
104.05000	0.8
105.07056	0.3
106.54978	0.2
120.64821	0.2
132.04451	27.7
133.04805	0.7
135.93155	0.3
160.03929	1.0
178.04988	100.0
179.05342	2.5
200.99377	0.2
206.04480	51.8
207.04787	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	206.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	0.2
71.11000	0.3
81.03424	0.3
85.06584	0.2
94.72531	0.2
95.04949	0.3
104.05006	1.2
105.07130	0.2
108.04488	0.5
112.37589	0.2
132.04449	31.2
133.02843	0.3
133.04816	0.8
136.03925	0.6
149.02386	0.2
150.02682	0.6
160.03891	2.3
160.07661	0.2
164.03438	1.7
178.04988	100.0
179.03424	0.7
179.05325	2.7
191.14297	0.3
195.36617	0.2
206.04483	48.1
207.02843	0.8
207.04823	1.3
207.10014	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	206.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.3
54.93660	0.2
59.00624	0.2
68.99794	0.3
69.35671	1.0
69.36082	0.5
70.02950	0.9
77.03924	0.3
87.00829	2.3
91.05484	2.8
93.07046	2.6
95.04971	0.3
98.23325	0.4
103.05476	15.4
104.05820	0.4
117.05826	0.2
118.06548	16.6
120.08112	100.0
121.08445	2.7
128.04956	2.0
134.03421	0.3
146.06023	12.8
147.06339	0.6
149.98639	0.2
161.06047	0.3
188.07080	8.8
189.07373	0.4
206.08131	3.3
207.06450	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	206.0813
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
51.93784	0.5
53.03946	1.2
53.67387	0.4
53.88627	0.4
54.03463	0.8
55.86992	0.5
65.03944	3.0
67.05508	24.0
68.05856	0.7
68.06257	0.6
69.03416	0.9
69.07063	1.4
70.02959	0.6
76.15372	0.5
79.05499	7.1
80.04997	0.9
81.03416	1.1
81.07049	3.1
82.02943	3.5
82.06592	0.9
84.04499	2.6
88.03996	1.1
91.05491	6.5
93.05795	1.6
93.07040	1.2
94.06573	1.8
95.04977	15.1
96.04500	5.5
96.05740	1.4
97.06538	0.7
98.23437	0.9
103.05465	4.2
105.07054	3.6
106.06566	1.4
107.07333	5.4
107.08593	0.6
108.04482	0.9
108.08124	21.4
108.08874	1.1
110.02412	0.7
110.06054	7.0
117.05774	1.4
117.07062	0.8
118.06558	4.6
119.04947	4.1
119.08572	0.9
120.08112	22.8
121.06492	1.0
122.06026	1.5
122.09669	7.5
123.04411	0.6
124.05204	0.6
124.07562	0.6
125.05997	0.5
132.04427	1.0
132.08095	1.1
133.06482	0.7
134.06004	1.7
135.06804	2.4
136.07562	0.6
143.08636	0.7
146.05954	3.5
146.06714	0.5
147.04390	2.6
147.08041	0.7
148.07555	0.9
149.02332	1.7
149.27832	0.5
150.02690	1.0
150.09154	38.6
151.03947	0.5
151.09462	1.5
161.09608	1.3
175.03918	3.1
178.08641	100.0
179.08992	4.0
188.07074	1.8
188.12999	0.5
192.04111	1.1
206.08136	60.8
207.06502	1.7
207.08463	2.2
207.10184	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	206.1025
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.03932	1.2
55.01862	1.5
55.05503	1.7
55.82009	0.8
55.93506	1.1
56.05037	18.5
57.03424	2.6
57.07076	1.1
58.06317	1.4
58.06600	25.6
59.04982	2.1
59.82533	0.7
60.04525	4.3
63.61874	0.8
67.05488	1.3
68.05035	9.6
69.03427	2.0
69.07072	3.9
70.06622	3.7
71.04990	1.1
72.04506	0.8
72.08147	0.9
74.02428	0.9
74.06067	3.6
76.07653	4.2
79.05498	2.2
80.05016	3.7
81.03437	3.7
81.07052	2.2
82.06551	2.2
83.04964	0.8
83.06894	1.7
84.04506	100.0
85.02905	16.1
85.04812	1.0
85.06535	1.2
87.04481	1.3
94.06560	1.7
94.93006	1.5
96.04479	1.0
96.08132	97.4
96.92796	2.6
97.08450	2.3
98.06039	2.0
100.03952	2.5
100.07604	1.3
102.05549	6.5
106.06542	1.4
109.02877	2.2
110.06027	3.6
113.02352	0.9
114.05513	2.9
121.06503	2.5
122.06038	4.1
124.07596	58.5
125.07924	1.1
128.07047	1.1
130.04976	1.7
132.04451	12.3
132.06604	1.1
133.23332	0.7
134.05991	2.8
140.06972	1.2
142.04968	3.0
142.08640	69.7
143.08932	2.5
146.04361	0.9
146.08101	1.7
149.02295	1.1
150.02664	2.9
151.97581	0.8
152.07034	2.9
160.04051	0.8
160.05994	3.0
160.09694	57.8
161.10054	1.1
170.08130	57.3
171.08437	2.4
177.95622	1.5
178.04991	50.6
179.05310	1.8
188.05521	1.2
188.07225	1.7
188.09169	14.4
188.10744	1.2
188.12810	1.7
206.04506	24.4
206.08237	5.4
206.10219	54.5
207.04895	1.1
207.11070	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	207.029
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02388	0.6
53.00319	0.4
53.03947	1.5
55.01871	0.8
55.05516	0.6
57.03435	0.3
65.03948	2.7
67.05500	1.7
68.99794	0.4
69.03433	0.6
69.07050	0.9
71.04968	0.3
71.29998	0.3
76.03164	0.4
77.03939	3.8
78.04737	0.3
79.05489	1.4
80.06284	0.4
81.03411	0.3
81.07064	0.9
81.08112	0.3
83.04984	0.8
89.03914	2.4
90.04711	0.5
91.05487	21.0
92.05831	0.4
93.03414	0.5
93.07063	1.8
95.04980	4.4
95.08615	1.2
101.03997	0.3
103.05464	1.2
105.03401	12.7
105.04526	0.8
105.07037	1.9
106.04240	0.4
107.04969	1.0
107.08604	1.1
108.05762	0.8
109.06541	0.5
109.10126	0.6
115.05444	0.9
117.03391	1.4
117.07021	0.3
118.04192	1.6
119.04952	20.2
119.08562	1.7
120.05315	0.6
121.02868	1.0
121.06499	1.8
121.10155	2.0
123.04443	8.5
123.08094	0.8
123.11734	0.5
129.03357	0.5
129.04492	0.3
131.04959	0.3
132.02077	1.8
133.02866	15.8
133.06477	1.1
133.10143	1.0
134.03427	0.5
135.04413	2.1
136.05225	2.9
137.02396	0.5
137.05989	0.7
137.09634	0.5
143.04987	0.5
143.08540	0.4
145.02808	0.5
145.03946	0.5
145.10129	1.8
146.03638	2.1
147.04420	15.6
147.08052	0.4
147.11751	1.4
149.02354	5.3
149.06059	0.7
149.09627	0.4
149.13335	0.6
151.03918	40.2
151.07530	2.4
151.11151	0.5
152.04271	0.8
156.09364	0.5
157.03964	1.1
160.08876	0.4
161.02348	1.9
161.05975	2.2
161.09645	0.9
161.13246	0.7
162.03162	0.4
163.03922	1.4
163.11195	5.0
164.04703	6.3
165.05449	0.4
171.11726	0.4
174.03172	1.6
175.03922	13.5
175.05450	0.7
176.04303	0.3
177.05507	0.4
179.03407	100.0
180.03738	2.9
189.05499	1.0
189.12775	0.9
189.16437	0.8
191.03355	0.7
192.04187	3.4
194.68187	0.3
207.02913	21.5
207.06514	16.0
207.09627	0.5
207.13829	2.9
207.17432	1.2
208.03296	0.9
208.06921	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	207.0653
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
50.01601	0.4
51.02388	0.8
53.03947	5.0
55.01872	0.6
55.05502	0.7
57.03437	5.6
57.03716	0.4
64.40654	0.2
67.05518	0.8
69.03423	0.6
69.07092	0.3
69.73082	0.8
71.05018	0.3
77.03904	1.3
79.05495	6.5
81.03425	0.7
81.07069	0.8
91.05489	5.9
93.07053	1.3
95.04968	5.3
95.08618	1.1
99.04469	0.4
103.05447	0.5
105.03394	100.0
105.07020	2.9
106.03733	2.1
107.04961	0.7
107.08598	1.1
109.06544	0.6
109.10154	1.1
115.05459	0.8
117.07027	0.7
118.04153	0.7
119.04945	3.7
119.08575	2.5
120.08136	0.5
121.06506	1.0
121.08447	0.6
121.10119	1.5
123.04434	4.2
123.08076	0.9
128.06241	0.9
129.07022	1.7
131.04921	0.6
131.08565	0.8
133.02872	0.5
133.06523	1.2
133.10135	1.7
135.04492	0.3
135.08096	0.3
136.05246	0.5
137.09644	1.0
143.08611	0.4
145.06523	0.6
146.03622	0.6
146.07297	0.7
147.04416	2.9
147.08035	1.5
147.11696	1.3
148.05179	0.6
149.02333	0.9
149.06013	0.3
149.09625	0.5
151.03912	0.9
151.07550	0.8
156.09326	0.3
157.06557	0.7
161.05986	10.5
161.09612	3.7
161.13232	0.9
163.03938	0.4
163.11209	0.5
164.04678	0.8
165.09140	0.6
165.12762	0.5
174.06746	0.9
175.03906	2.3
179.03406	1.9
179.07005	0.9
179.08464	0.3
183.62642	0.2
189.05426	1.4
189.09097	3.2
189.12740	0.8
189.16444	0.6
192.04153	1.1
207.02878	1.2
207.04861	0.7
207.06516	13.5
207.10147	1.4
207.13763	1.4
207.17421	0.6
208.06747	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	207.1016
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.02396	1.0
57.03440	1.8
65.03941	4.1
67.05508	2.9
69.03445	1.0
69.07059	1.3
69.25037	5.9
69.25444	1.4
71.86337	1.0
79.05479	3.9
80.06247	1.3
81.07053	3.0
84.88668	1.0
85.02917	1.1
91.05486	46.2
93.07058	3.1
95.04967	2.5
95.08624	1.5
103.05480	5.9
105.03433	1.2
105.07024	7.1
107.04967	2.1
107.08612	3.3
109.06528	2.8
109.10171	1.5
115.05449	5.8
117.07023	10.6
118.04168	4.7
119.04948	35.1
119.08591	6.7
120.05344	1.2
121.06521	2.3
121.10179	3.3
122.03613	1.1
123.04476	2.2
123.08114	2.9
128.06224	19.0
129.07013	77.7
130.07416	1.6
131.04922	7.0
131.08598	4.4
132.02074	3.7
133.02858	1.4
133.06511	2.2
133.10139	2.5
135.04436	1.6
135.08109	2.2
136.05220	3.6
137.05988	2.0
143.08546	1.2
145.06497	18.8
146.03638	4.1
146.07254	4.0
147.04419	31.1
147.08069	4.1
147.11720	5.6
149.02306	6.3
149.09650	2.9
151.03925	5.3
151.07544	3.8
155.06061	4.5
157.03969	2.5
157.06503	61.4
158.07324	7.2
159.04417	2.5
161.06013	6.5
161.09648	3.8
161.13313	2.2
162.06790	2.0
163.03870	1.1
163.07542	1.8
163.11192	3.2
164.04701	6.1
165.05591	1.3
165.12822	1.4
171.11661	1.1
174.03174	2.4
174.06775	46.0
175.03917	30.0
175.07513	4.7
177.09077	6.1
179.03410	7.7
179.06989	6.7
189.09113	100.0
189.12758	3.5
190.09454	4.0
192.04213	8.9
192.07779	1.3
207.02834	1.5
207.06523	22.7
207.10039	6.6
207.13785	5.2
207.17484	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	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02374	0.4
55.01869	1.1
55.05507	1.7
57.03439	0.3
57.07077	0.5
59.04997	0.6
65.03938	0.8
67.05508	2.4
68.99819	0.2
69.03432	1.8
69.07072	1.6
71.04991	1.0
71.28436	0.2
71.28816	0.3
77.03926	0.4
79.05493	3.4
81.03403	0.6
81.07065	2.8
83.04968	1.1
85.02913	1.4
85.06551	0.6
89.03918	0.5
91.05480	16.1
91.64067	0.3
92.05818	0.3
93.07042	4.2
95.04972	3.0
95.08618	2.7
97.06525	0.9
99.08135	0.4
103.05485	2.3
105.03366	0.5
105.04539	0.3
105.07029	11.7
107.04954	2.3
107.08591	4.3
109.06531	3.3
109.10150	1.7
111.04463	0.2
111.08060	0.3
111.84003	0.3
115.05449	1.1
116.06213	1.1
117.07013	1.3
117.26131	0.2
118.04167	3.8
118.04929	0.4
118.07832	0.3
119.04954	7.9
119.08585	7.1
120.08087	0.5
121.06509	5.1
121.08448	0.4
121.10138	5.1
123.04427	0.5
123.08070	3.9
123.11693	1.3
125.05978	0.4
128.06218	2.7
129.07004	5.8
130.07787	0.8
131.04924	5.8
131.08580	4.3
132.05685	0.7
133.02809	0.6
133.06505	2.6
133.10139	2.8
135.04393	0.4
135.08084	1.2
135.11699	0.5
135.20308	0.2
136.05170	0.5
137.05991	0.9
137.09608	0.8
137.13269	0.4
143.08583	1.4
144.05699	0.9
145.06493	1.8
145.10080	2.4
146.03633	2.4
146.07274	6.4
147.04410	4.1
147.06250	0.3
147.08067	3.3
147.11690	6.2
148.05183	4.9
149.02304	1.2
149.05913	0.6
149.09618	10.6
149.13264	0.4
151.07549	4.1
155.05986	0.3
156.09358	1.7
157.04012	0.4
157.06503	1.4
159.04454	0.6
159.08034	1.0
159.09181	0.3
159.11684	0.4
160.08829	0.6
161.05978	100.0
161.09604	22.8
161.13240	3.9
162.06335	3.1
162.10005	0.6
163.03917	0.5
163.07610	0.4
163.11171	2.3
164.04657	1.3
165.05472	0.3
165.09148	0.5
165.12755	2.2
171.11684	2.6
173.05891	0.3
174.06770	2.5
175.03886	3.2
179.03416	0.6
179.07027	1.0
179.08475	0.3
179.10625	0.3
179.14258	0.3
189.09108	25.1
189.12730	5.9
189.16426	0.8
190.09360	0.8
192.04166	1.5
207.02849	0.6
207.06480	5.2
207.08298	0.6
207.10092	3.1
207.13802	14.1
207.17490	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	207.1017
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03948	4.3
55.01868	2.3
55.05516	4.9
57.03435	1.2
65.03958	2.1
65.49754	0.8
67.05508	19.1
68.99810	0.8
69.03424	7.6
69.07081	1.8
70.81256	1.8
71.04993	3.4
77.03938	1.5
79.05500	17.1
79.05961	0.9
81.03429	1.7
81.07061	8.2
83.04985	4.4
91.05481	20.1
91.06012	1.4
93.07047	9.5
95.04977	13.5
95.08611	8.2
97.06554	3.8
99.04467	6.0
102.54666	0.8
102.94262	0.8
105.03394	20.7
105.04506	1.2
105.07034	38.3
106.51479	0.9
107.04963	9.0
107.08591	4.8
109.02879	3.2
109.06519	9.6
109.10162	48.1
110.10522	1.2
111.04449	4.0
115.05484	1.9
117.07015	7.3
119.04975	1.9
119.08588	28.5
120.08141	1.5
121.06506	6.8
121.08439	1.8
121.10158	3.3
123.04447	3.0
123.08095	2.9
125.05948	0.9
128.06227	15.8
129.07031	6.0
130.07782	1.9
131.04944	2.1
131.08562	3.6
132.05722	1.5
133.06483	5.1
133.09119	0.9
133.09282	0.5
133.10126	29.4
135.08073	3.4
137.06020	7.0
137.09619	69.8
138.10011	1.7
142.07863	1.2
143.08565	22.0
145.06508	3.5
145.10172	2.7
146.07260	8.2
147.08058	31.1
147.11726	4.8
149.09651	2.3
151.07591	1.0
151.11240	1.1
155.06071	1.1
159.08064	1.3
161.06029	5.0
161.09627	100.0
161.13251	13.0
162.09975	3.4
163.07613	1.9
163.11183	2.0
165.09123	35.0
165.12747	0.8
171.08002	4.3
171.11713	1.3
174.06790	4.1
179.10696	4.1
189.09116	14.7
189.12735	7.7
207.04752	2.4
207.06589	3.5
207.10173	22.5
207.11989	1.6
207.13800	11.3
222.32262	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	207.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01864	1.2
55.05514	2.0
57.03436	0.6
57.07069	0.6
59.05011	0.5
60.28290	0.3
65.03943	1.5
67.05507	2.8
69.03447	2.1
69.07060	1.9
71.04985	1.4
71.29551	0.4
77.03915	0.4
79.05493	3.7
81.03426	0.6
81.07063	3.6
81.56010	0.3
83.04977	1.6
83.08656	0.7
85.02905	2.7
85.06546	1.0
89.03957	0.3
91.05484	19.4
93.07047	5.2
95.04980	3.4
95.08619	3.3
96.63420	0.4
97.06522	1.1
99.04433	0.6
103.05479	1.1
105.03436	0.4
105.04494	0.4
105.07034	12.9
106.80267	0.4
107.04943	2.3
107.08607	5.4
108.05723	0.4
109.06509	4.0
109.10137	1.9
111.04466	0.6
111.08064	0.6
115.05476	1.1
116.06245	1.1
117.06993	1.4
118.04169	2.7
118.06516	0.3
118.07718	0.4
119.04952	10.4
119.08579	7.9
120.08105	0.9
121.06516	5.1
121.08434	0.6
121.10146	5.4
123.04442	0.3
123.08069	5.0
123.11726	2.3
125.06001	0.7
128.06230	3.2
129.07028	5.4
130.07806	0.9
131.04924	5.8
131.08585	3.7
132.02072	0.8
132.05730	0.6
133.02866	0.6
133.06461	3.2
133.10136	3.8
135.08058	1.1
135.11713	0.8
136.05273	0.4
137.05978	1.0
137.09615	1.0
141.06995	0.5
143.08537	1.5
144.05707	1.0
145.06476	1.6
145.10124	3.0
146.03656	2.7
146.07271	5.9
147.04413	6.6
147.08038	3.5
147.11679	7.4
148.05185	4.4
149.02325	1.6
149.06013	0.7
149.09628	9.2
149.13240	0.8
151.03918	0.4
151.07527	3.4
155.06049	0.6
156.09367	1.2
157.06458	1.3
159.04443	0.5
159.08080	0.9
159.11729	0.4
160.08867	0.7
161.05981	100.0
161.09615	23.5
161.13251	4.1
162.06349	2.4
162.10063	0.5
163.07480	0.6
163.11192	3.3
164.04669	1.2
165.05330	0.3
165.09134	0.7
165.12779	1.6
171.08130	0.5
171.11685	2.3
174.03142	0.9
174.06779	2.3
174.10428	0.8
175.03889	4.8
179.07022	1.6
179.08499	0.3
179.14349	0.6
189.05478	0.7
189.09108	25.2
189.12735	7.2
189.16400	1.0
190.09454	0.7
192.04179	2.4
207.02875	0.7
207.04773	0.3
207.06494	7.5
207.08287	0.6
207.10039	3.0
207.13812	15.2
207.17485	1.0
208.14093	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.29553	0.4
53.03945	1.0
55.01878	1.0
55.05510	3.2
57.03443	0.4
57.07075	0.9
59.05004	2.5
65.03961	0.9
66.62390	0.4
67.05505	3.4
68.64139	0.3
69.03439	3.0
69.07078	2.4
69.66499	1.1
71.04993	3.7
79.05494	5.3
81.03433	1.4
81.07056	5.0
83.04984	3.3
85.02903	3.0
85.06564	1.2
91.05484	11.3
93.07045	8.4
95.04968	2.5
95.08611	5.7
97.06538	2.8
98.23249	0.7
99.04480	1.3
99.08096	0.4
103.05462	1.1
105.03388	0.9
105.07034	17.9
106.07376	0.5
107.04964	1.7
107.08597	12.3
109.06524	7.9
109.10161	2.3
111.08108	1.0
115.05469	0.8
117.07039	1.5
118.04218	1.0
119.04949	8.2
119.08585	15.0
120.08133	0.6
120.08925	0.6
121.06516	4.5
121.08440	0.4
121.10146	11.6
122.07257	0.4
123.04454	1.0
123.07174	0.9
123.08073	16.7
123.11704	4.9
124.08442	0.6
125.05989	0.5
125.09595	0.5
128.06259	1.1
129.06982	1.3
131.04948	0.7
131.08574	4.2
132.02031	0.6
133.06502	4.9
133.10129	4.7
134.10406	0.4
135.08054	1.6
135.11644	0.7
136.05162	0.5
137.09625	4.6
137.13202	1.0
139.07561	0.6
141.07007	0.4
142.07816	0.4
143.08597	3.5
145.06456	0.4
145.10121	3.9
146.03638	0.8
146.07286	1.1
147.04408	4.8
147.08057	5.4
147.11685	12.1
148.05153	0.7
148.12035	0.4
149.02357	1.5
149.09621	100.0
150.09973	3.4
151.07542	5.1
153.09235	0.4
156.09335	4.9
159.08061	1.3
159.11714	1.3
160.08791	0.7
161.05981	8.4
161.09651	3.8
161.13255	10.5
163.03929	0.5
163.11185	2.9
164.04688	1.5
165.09129	3.5
165.12767	7.0
171.11696	10.1
172.33023	0.4
174.03171	0.5
174.10405	3.5
175.03938	4.2
179.06993	1.5
179.14301	1.1
189.05602	0.5
189.09171	3.0
189.12750	34.4
190.13040	1.4
192.04178	1.6
207.06537	5.2
207.13808	90.2
208.14101	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03951	0.6
55.05509	3.1
56.05017	0.7
57.07071	1.4
57.11486	0.4
67.05506	4.3
68.23597	0.5
69.03432	100.0
69.07077	1.8
70.03774	1.6
70.06596	0.6
71.05012	1.1
77.50323	0.5
79.05499	4.0
81.03436	0.7
81.07056	3.8
82.06588	1.2
83.04982	7.8
83.08609	1.0
84.08141	0.8
91.05479	4.4
93.07044	5.8
95.04966	1.3
95.08606	5.8
96.08142	1.1
97.06567	0.7
97.10179	0.9
99.04443	1.0
105.07040	5.9
107.04964	1.0
107.08588	4.6
109.06515	1.1
109.10170	1.4
110.09695	1.5
111.04475	1.9
117.07004	0.5
119.04937	1.3
119.08598	4.2
120.08150	0.8
121.06522	1.6
121.10153	2.6
122.09695	0.6
123.08054	3.3
124.11273	2.0
131.08580	0.8
133.06516	1.3
133.10153	2.3
134.05966	0.6
136.05251	0.5
137.09641	0.7
138.12794	0.9
139.11195	9.8
147.04413	1.5
147.11697	5.8
149.02396	1.2
149.09599	1.0
151.07547	5.8
152.73904	0.6
161.09608	1.1
161.13301	1.7
163.11159	1.2
164.04704	1.8
165.12764	0.8
174.03217	0.6
175.03989	0.6
179.07036	0.8
180.17513	3.3
189.12756	1.8
189.16428	0.8
190.04976	0.6
192.04202	0.7
207.06581	2.2
207.11746	1.1
207.13873	4.7
207.17522	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02378	0.7
53.03943	2.3
55.01868	1.0
55.05515	13.8
58.05678	0.3
59.05001	1.4
62.79728	0.4
65.03925	1.0
67.05508	1.7
69.03434	28.3
69.07047	0.8
69.65685	2.0
71.04995	0.8
77.03917	0.9
79.01846	0.9
79.05498	6.1
81.03370	0.6
81.07072	2.1
82.19502	0.4
83.04979	1.8
91.05482	11.3
92.56297	0.5
93.03413	1.3
93.07048	6.9
95.04985	2.7
95.08604	4.3
98.23309	0.5
99.04457	0.7
101.06747	0.4
103.05455	3.2
105.03370	0.6
105.04504	0.9
105.07035	11.7
107.04967	3.1
107.08591	6.0
108.05740	1.8
109.06532	5.6
109.10154	0.6
115.05441	1.5
117.07021	2.8
119.04942	3.6
119.08578	7.9
121.06509	70.1
121.10139	3.9
122.06855	1.7
123.04426	1.1
123.08074	15.0
123.11723	0.7
125.09617	0.4
128.06209	0.6
129.06998	1.0
130.07809	2.3
131.08536	0.5
133.06499	39.6
133.07474	1.3
133.10115	2.3
134.06880	0.6
135.07091	0.7
135.08063	10.1
135.11708	2.4
136.05190	0.9
137.09605	1.4
137.13266	0.5
143.08551	1.0
145.10130	3.4
146.03593	0.9
147.04402	3.4
147.08084	2.2
147.11659	3.6
148.08865	1.0
149.02347	1.2
149.09647	2.2
151.07565	3.3
156.09300	1.0
157.17503	0.5
159.08113	0.8
161.09601	0.8
161.13268	1.8
163.11186	100.0
164.04681	2.0
164.11519	4.4
165.12737	1.4
171.11700	1.0
174.03096	0.6
174.10428	1.0
175.03859	2.2
179.03432	0.9
179.07076	2.1
189.12740	7.8
190.12949	0.4
192.04156	1.3
207.02864	1.0
207.06482	4.3
207.13811	26.7
208.14127	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05512	7.4
57.07076	5.0
59.04997	1.6
62.63327	0.9
65.03938	2.0
67.05505	32.4
69.03434	6.2
69.07061	5.2
70.66283	2.0
71.04984	2.9
79.05486	5.2
81.07062	9.6
83.04980	3.6
83.08615	1.2
85.06555	8.2
91.05479	11.6
93.07045	16.7
95.04993	4.6
95.08608	100.0
97.06504	1.1
105.07037	19.1
107.04993	1.4
107.08599	21.5
109.06511	5.7
109.10162	4.0
111.08072	1.3
113.06027	3.4
116.06298	0.9
117.07011	1.0
119.08585	29.5
120.09399	2.0
121.06522	4.2
121.10142	16.9
121.66315	1.0
123.08072	65.9
123.11702	6.3
124.08396	2.0
125.09629	2.2
131.08566	6.0
133.06471	2.2
133.10133	6.5
135.08047	1.5
135.11676	3.0
137.09605	5.9
137.13234	2.5
139.07559	2.9
143.08604	1.5
145.10132	3.3
147.08067	7.9
147.11703	14.4
149.09621	58.5
150.09979	1.5
151.07487	2.7
151.14827	4.7
153.09105	1.1
156.09441	2.3
159.08127	2.3
160.08873	1.7
161.09642	3.2
161.13257	23.2
163.11162	3.4
165.09077	2.3
165.12738	11.0
171.11705	4.6
174.10417	5.5
179.14323	4.0
189.12750	29.8
207.13818	42.0
208.14166	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.73414	1.1
53.03943	4.0
55.01866	3.4
55.05271	1.1
55.05514	8.6
57.07080	6.0
59.04992	1.8
65.03940	4.7
65.96744	1.0
67.05508	42.9
67.96459	1.1
68.99791	1.1
69.00358	1.6
69.00746	10.2
69.03436	19.7
69.07076	10.4
71.04989	4.9
77.03908	1.0
79.05498	12.8
81.03416	3.6
81.07058	13.4
83.04973	6.3
83.08613	1.7
85.02899	1.5
85.06547	9.6
91.05486	36.6
92.05820	1.1
93.07050	26.1
95.04971	15.0
95.08614	100.0
96.08932	1.9
97.02872	1.2
97.06533	3.9
98.22610	1.9
103.05474	3.6
105.03379	1.8
105.06383	2.0
105.07042	28.5
107.04951	4.2
107.08605	21.3
109.06521	11.1
109.10141	8.0
110.07310	1.3
111.08095	4.1
113.06001	3.3
115.05464	5.7
117.06998	6.4
118.04179	2.3
119.04967	17.3
119.05816	1.9
119.08590	44.1
120.08096	1.5
120.09408	2.1
121.02902	1.3
121.06512	8.9
121.08421	1.4
121.10152	35.3
123.04439	16.0
123.08074	68.8
123.11717	9.8
124.08347	2.3
128.06210	6.3
129.07011	20.0
129.20319	1.0
131.04950	3.1
131.08583	7.2
132.05733	1.7
133.06519	5.9
133.10146	23.6
134.03581	1.2
135.04424	1.6
135.08070	4.1
135.11708	4.0
136.05159	1.4
137.05965	4.7
137.09633	7.5
137.13286	2.0
139.07596	2.2
143.04907	1.5
143.08577	2.4
145.06476	3.4
145.10143	4.5
146.03633	4.0
146.07216	2.2
146.10817	1.1
147.04425	15.2
147.08052	12.0
147.11685	21.9
148.12038	1.3
149.02361	4.3
149.09628	30.8
149.13190	1.3
151.03905	1.2
151.07565	4.2
151.11244	1.1
151.14812	4.3
156.09389	4.2
157.06487	13.8
158.07295	1.1
159.08002	2.2
159.11633	2.2
161.05963	5.0
161.09663	5.8
161.13254	30.9
163.03893	1.5
163.07538	1.4
163.11191	6.3
164.04655	5.6
165.05486	1.5
165.09145	2.4
165.12773	9.8
171.11714	5.5
174.03185	1.5
174.06798	9.2
174.10402	3.3
175.03935	13.3
175.07539	7.9
177.05493	1.5
179.03415	3.2
179.07043	9.3
179.14299	4.4
189.05452	2.8
189.09109	19.7
189.12747	20.4
189.16364	2.8
192.04202	4.4
202.32597	1.1
207.02972	2.3
207.06509	17.6
207.10118	12.5
207.13817	53.6
207.17422	4.1
208.09584	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03949	2.1
54.28755	0.5
55.05515	13.9
56.78237	0.4
57.24363	0.5
59.04987	1.2
62.20074	0.5
63.90701	0.6
65.03931	0.5
67.05511	0.9
67.78710	0.5
69.03432	32.4
69.07085	0.5
69.43627	1.9
69.44037	1.1
77.03927	0.7
79.01850	1.4
79.05502	4.2
81.07067	1.4
83.04984	1.5
91.05486	10.2
93.03421	1.2
93.07046	5.8
95.04969	2.1
95.08613	3.5
98.22601	1.0
103.05475	2.1
105.07036	9.0
107.04945	4.0
107.08599	5.7
108.05759	1.1
109.06526	5.9
115.05479	1.0
117.07025	3.4
119.08578	5.2
120.09325	0.8
121.06512	71.9
121.10121	3.8
122.06783	1.1
123.08077	15.2
129.07010	0.9
130.07791	2.0
131.08560	0.6
133.06499	33.4
133.07523	1.1
133.10115	1.3
134.06819	1.1
135.08058	9.1
135.11699	1.7
137.09639	0.9
144.67276	0.6
145.10130	3.3
147.08081	1.6
147.11685	1.2
148.08833	1.0
149.09637	2.5
151.07523	2.5
156.09358	0.6
159.08066	0.8
161.09653	0.6
161.13290	1.0
163.11186	100.0
164.11526	3.2
165.12756	1.4
171.11842	0.5
174.10435	1.0
182.17810	0.6
189.12758	6.9
207.13812	27.1
208.14093	1.4
214.24744	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.31654	0.6
55.01867	1.7
55.05516	3.8
55.96241	0.7
57.03444	0.8
57.07064	1.1
61.59517	0.6
65.03934	0.9
65.80624	0.6
67.05248	0.5
67.05515	6.3
69.03436	3.1
69.07067	3.7
69.80393	1.7
71.04988	2.9
73.17838	0.6
73.50833	0.6
77.03928	0.9
79.05502	6.1
81.07058	9.0
83.04977	2.8
83.08640	0.9
85.02921	1.4
85.06540	1.9
91.05486	26.8
92.05823	1.0
93.07056	7.7
95.04981	5.4
95.08621	6.3
97.06548	3.2
98.97598	1.1
103.05464	1.7
105.03392	1.2
105.04451	0.8
105.07039	32.7
106.07365	1.4
107.04945	1.6
107.08602	9.9
109.06523	6.3
109.10120	2.4
111.08109	0.7
115.05460	1.5
117.07053	5.1
118.04166	2.4
119.04960	10.2
119.08588	22.3
120.08130	0.8
120.08907	0.8
121.06518	5.4
121.08405	0.8
121.10146	6.9
123.04412	2.9
123.08086	10.4
123.11712	1.9
125.05894	0.8
128.06241	3.4
129.07014	5.5
130.07753	1.4
131.04932	1.2
131.07596	0.7
131.08582	13.3
132.02039	1.0
133.06496	3.7
133.10136	38.8
134.10472	1.4
135.08047	2.1
135.11699	5.9
136.05205	1.4
137.05998	1.0
137.09621	2.0
139.07500	1.1
139.27222	0.7
142.07843	1.1
142.70543	0.6
143.08586	8.9
145.06483	1.2
145.10127	14.6
146.03622	1.7
146.07263	1.5
147.04420	7.3
147.08096	4.7
147.11697	46.0
148.05159	1.4
148.12024	2.0
149.02327	2.3
149.05984	1.1
149.09630	30.8
149.13295	1.0
151.03914	6.8
151.07555	4.3
151.11191	1.1
156.09358	3.5
157.03958	0.8
157.06505	1.3
159.07899	1.0
159.11711	6.0
160.08772	1.0
161.05983	27.0
161.09624	9.6
161.13255	9.4
162.06378	1.2
163.11186	4.9
164.04733	3.2
165.12799	4.3
171.11702	13.5
172.12071	0.9
174.03116	0.8
174.06776	0.9
174.10358	1.2
175.03885	6.5
175.05196	0.9
176.11981	28.6
177.12740	14.1
179.03398	5.0
179.07036	3.0
179.14371	2.5
189.09137	10.0
189.12747	29.4
190.05058	0.7
190.13142	1.1
192.04179	2.3
207.02986	3.7
207.06473	8.9
207.10242	2.7
207.13814	100.0
208.14178	4.7
219.09146	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03957	0.9
55.01878	1.3
55.05516	1.3
57.03443	0.6
57.07080	1.2
65.03946	5.6
67.05515	5.5
69.03430	2.9
69.07062	2.3
69.59420	0.6
70.55149	0.5
71.04999	0.8
74.74351	0.5
76.61243	0.5
77.03912	0.9
79.05495	4.3
80.06277	0.6
81.07059	17.4
83.04981	1.0
85.02906	100.0
85.06573	0.6
86.03242	1.3
89.03924	2.1
90.04702	0.6
91.05482	54.9
92.05795	1.2
93.03386	0.6
93.07054	4.8
95.04980	2.0
95.08598	5.4
97.17537	0.6
103.05492	1.5
103.31084	0.5
104.02609	0.7
105.03407	0.6
105.07030	9.4
107.04964	2.4
107.08588	6.0
108.05734	1.0
109.06525	2.2
109.10162	16.7
111.04447	2.1
116.06159	0.5
117.03383	0.8
117.07065	1.2
118.04149	4.4
119.04949	40.1
119.08578	12.8
120.05260	0.8
120.08898	0.6
121.02884	2.1
121.06539	1.6
121.10132	10.1
123.04465	1.1
123.08111	2.6
123.11709	59.2
124.12054	1.6
125.05995	12.0
127.68775	0.6
129.03438	0.5
129.07014	1.3
130.07805	0.8
131.08562	3.3
132.02063	4.2
133.06474	1.4
133.10114	3.2
135.04411	2.6
136.05164	1.4
137.06001	1.0
137.09622	1.0
139.07520	1.2
141.05507	1.7
143.08563	3.2
145.02831	1.0
145.10121	3.7
146.03600	1.1
147.04408	28.2
147.08044	9.9
147.11684	7.5
149.02345	6.0
149.09610	14.5
151.07547	4.1
156.09361	2.0
157.03975	2.3
160.01518	0.6
161.09592	3.3
161.13284	1.0
163.03961	1.0
163.11182	1.0
164.04724	3.1
165.05479	0.5
165.09085	1.2
165.12770	2.1
169.08585	1.3
171.11667	1.9
174.03137	0.6
174.10330	1.4
175.03909	30.7
176.04251	1.2
177.01863	2.1
179.07069	2.9
189.09131	1.1
189.12732	7.1
192.04176	13.6
193.04649	0.6
207.04506	0.8
207.04855	0.4
207.06519	18.4
207.10201	3.7
207.13803	30.4
208.06828	0.6
208.14177	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.76352	1.7
51.02369	2.5
53.03941	3.6
55.01861	5.7
55.05513	17.2
57.03416	5.2
57.07077	4.0
59.04992	3.8
65.03937	10.4
67.05508	12.0
69.03416	6.3
69.07069	12.9
69.34113	7.6
71.04982	7.7
72.04513	2.0
77.03912	3.4
79.05498	16.7
80.49731	1.8
81.03414	4.9
81.07063	22.4
81.93649	1.5
83.04980	18.4
83.08620	3.2
85.02903	27.1
85.06531	3.9
89.03897	8.3
91.05483	100.0
92.05833	2.2
93.07051	22.6
95.04972	13.1
95.08611	19.4
97.06535	14.6
99.04464	11.1
101.05989	2.4
103.05431	3.7
105.03365	5.1
105.04491	1.9
105.07030	37.5
107.04942	7.2
107.08598	34.8
109.06524	56.6
109.10162	16.3
111.04479	1.9
111.08099	12.3
117.03403	1.7
117.07022	5.2
118.04154	6.9
119.04944	76.3
119.08583	42.5
120.05289	2.1
121.02855	2.2
121.06488	7.6
121.08427	1.7
121.10149	37.3
122.10468	2.4
123.04530	3.6
123.08089	20.9
123.11695	21.4
125.05989	7.3
125.09617	2.9
128.06238	3.8
129.06987	2.8
131.04948	2.0
131.08557	10.0
132.02072	5.1
133.02823	3.3
133.06497	6.1
133.10132	23.1
135.04431	33.4
135.05458	2.2
135.08052	8.9
136.05203	4.7
136.08890	1.8
137.05977	6.2
137.09613	25.5
137.13237	4.4
139.07526	3.8
143.08539	7.3
145.06523	3.0
145.10130	8.4
146.03592	3.9
146.07181	2.5
146.10883	2.0
147.04414	58.0
147.08067	22.3
147.11693	62.5
148.11984	3.2
149.02356	16.2
149.08395	2.1
149.09610	34.6
149.10738	3.6
151.07564	16.8
151.11224	4.1
156.09315	6.4
157.03978	6.9
159.08020	8.7
159.11655	1.8
160.08852	2.3
161.05927	4.2
161.09634	12.0
161.13255	26.7
163.03905	4.5
163.11176	4.6
164.04671	15.8
165.09119	4.2
165.12761	66.2
171.11705	12.2
174.03146	4.5
174.10423	26.9
175.03905	73.2
176.04234	2.0
179.03334	2.9
179.07016	13.9
179.14348	3.6
183.91441	1.6
189.05371	2.1
189.09085	2.5
189.12746	59.6
190.13112	1.9
192.04211	13.1
207.03075	3.6
207.06508	48.0
207.09827	3.5
207.13806	90.8
207.17445	3.0
208.13234	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	2.6
54.73264	0.6
55.01866	0.9
55.05246	0.6
55.05513	10.5
57.03431	0.7
57.07086	0.9
59.05000	1.2
65.03941	0.6
65.32315	0.6
67.05506	5.5
69.03425	1.8
69.07069	6.5
71.04993	11.4
76.14118	0.6
77.03889	0.7
78.04710	0.6
79.05490	6.7
81.03401	1.0
81.07059	11.7
82.71018	0.6
83.04978	2.6
83.08552	0.7
85.02925	0.7
85.06555	4.9
91.05483	21.6
92.05764	0.8
93.07047	35.2
94.07337	0.8
95.04974	4.1
95.08614	4.4
97.06529	0.9
99.04457	21.5
101.06010	1.6
105.04535	1.1
105.07033	51.7
106.07349	1.5
107.08599	17.6
109.06509	4.9
109.10158	1.3
117.07010	2.5
119.04949	1.5
119.08585	52.4
120.08913	1.5
121.06497	1.6
121.10156	3.6
123.08079	1.9
123.11744	0.8
127.07553	2.2
128.06261	1.2
129.07001	2.2
130.07857	0.6
131.08562	1.6
132.09346	0.7
133.06487	2.8
133.10135	12.8
135.08017	1.4
137.05959	0.6
143.08575	2.3
145.10117	7.7
147.04396	1.8
147.08089	3.1
147.11690	100.0
148.10960	0.6
148.12018	3.5
149.09627	1.2
151.07611	3.4
156.09331	2.2
161.05936	0.7
161.09622	1.8
161.13263	13.3
162.13574	0.6
163.11148	1.0
165.09079	1.1
165.12666	0.7
171.11685	3.9
175.03979	0.7
189.12746	10.4
189.14372	0.9
207.06560	2.0
207.11871	1.0
207.13799	16.8
207.17473	0.7
208.09602	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	208.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.00902	0.2
55.01887	0.2
55.05515	4.2
55.37838	0.2
60.75232	0.2
63.02389	0.2
65.03942	0.8
67.05511	0.4
68.83041	0.2
69.07050	0.3
70.06599	0.4
71.05012	0.3
72.08147	0.3
79.05505	0.3
81.07072	0.3
82.06579	2.6
83.08620	2.8
84.08151	0.8
86.09722	0.5
91.05479	13.2
92.05820	0.5
93.07042	0.5
95.04971	0.5
100.11259	7.7
103.05484	0.4
105.07043	0.5
106.06615	0.2
106.07351	0.4
107.04997	0.3
107.08619	0.5
108.79551	0.2
109.06528	0.5
110.06036	1.2
118.06522	0.4
119.04944	32.6
120.05292	0.5
120.08079	0.7
120.08930	0.6
121.06519	1.7
121.10133	0.3
125.07133	0.5
127.08715	0.4
128.07103	0.3
131.04924	0.4
134.05930	0.4
135.04494	0.2
137.05974	1.7
139.08691	1.5
146.06038	0.3
147.04407	100.0
148.04742	2.9
148.08421	0.4
149.05978	0.7
149.09601	0.2
151.07526	0.4
162.05504	0.4
163.07483	0.5
163.11217	0.2
166.08609	1.3
177.05458	0.6
180.10162	0.6
190.04973	0.3
190.08653	0.8
194.02097	0.3
208.06046	0.5
208.09628	1.6
208.13269	0.4
209.04366	0.5
209.13245	0.3
209.16534	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	208.0969
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
51.02364	0.5
53.03946	0.6
55.05511	0.8
67.05506	1.3
69.03429	0.7
69.07065	0.6
69.73215	1.0
69.73608	0.9
79.05505	5.1
81.07071	1.9
83.04995	1.3
87.00816	0.5
91.05496	0.8
92.57011	0.5
93.07061	1.5
95.04987	1.2
95.08582	0.7
95.31837	0.4
103.05479	6.3
105.03430	0.7
105.07037	100.0
106.07385	2.1
107.08613	1.7
109.06517	1.7
109.10171	0.5
119.04961	0.8
120.08117	1.1
120.08906	0.5
121.06509	1.5
121.10157	1.9
123.08037	0.5
130.06537	10.3
131.04948	1.4
131.08557	0.7
148.07581	78.7
149.07924	1.8
149.09618	0.7
149.13338	0.5
163.03915	0.6
163.11191	1.4
163.14787	0.6
165.12791	1.6
190.08556	2.2
190.15892	0.6
191.10640	1.0
191.14319	0.6
208.03711	1.3
208.09688	5.5
208.14037	0.8
208.16995	0.6
209.04471	0.5
209.15407	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	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03952	9.9
53.62545	1.3
55.01883	14.1
55.05502	1.5
57.03440	1.8
61.28038	1.2
65.03943	18.9
67.05508	6.4
70.06595	2.1
71.04958	1.8
75.04489	13.2
77.03910	2.0
78.04706	15.5
79.05490	10.1
81.03410	2.2
81.07056	2.6
85.02908	11.0
89.03923	7.5
89.06028	3.7
91.05484	49.5
93.03410	37.9
93.07041	20.8
95.04975	19.7
95.08612	3.1
96.05743	1.6
97.06532	14.9
99.54964	1.4
103.05476	22.2
105.03384	2.2
105.04522	4.3
105.07027	3.6
106.04180	94.1
106.88116	1.5
107.04942	5.3
107.08600	2.9
108.02079	1.3
109.02850	1.5
109.06514	4.3
109.10122	1.4
111.04451	4.2
117.03359	5.0
118.04157	2.2
119.04946	3.9
120.05694	2.0
121.06509	81.2
121.10170	1.9
122.07327	1.8
123.04445	5.1
123.08060	4.1
124.05208	2.6
125.05998	24.0
131.04926	5.4
131.05908	1.5
133.02852	2.2
133.06514	1.9
134.03644	17.4
135.04422	3.6
135.08136	1.3
137.05978	11.5
138.06757	5.5
139.07532	5.7
145.02820	7.5
147.04434	2.1
148.05200	8.9
149.05988	100.0
150.06349	3.2
151.03905	2.0
151.07532	3.4
152.08307	1.7
153.05420	7.1
153.09111	16.8
159.04436	1.5
162.03207	2.1
163.03847	1.8
163.07538	7.7
165.05495	2.7
166.06198	4.0
167.07022	2.2
177.05475	38.9
181.05159	1.4
181.08604	19.9
191.07008	6.3
191.14333	1.5
209.08093	21.4
209.15369	5.3
228.98186	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	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03947	7.8
55.01873	9.7
55.05497	3.5
57.03439	2.5
57.07069	1.5
65.03656	1.5
65.03945	13.8
67.05505	12.8
69.03409	2.4
69.07054	4.3
69.15125	2.3
69.15527	6.1
71.04987	7.4
72.34448	0.9
75.04488	12.6
77.03920	2.3
77.24263	1.1
77.38886	1.0
78.04704	13.8
79.05493	17.8
80.70631	1.0
81.03410	4.2
81.07065	11.1
81.73566	1.0
82.04190	1.9
83.04974	4.0
83.08638	1.8
85.02901	10.5
85.06530	2.6
88.03158	1.0
89.03909	7.0
89.06016	2.8
91.05482	51.8
93.02818	1.8
93.03408	36.5
93.07046	26.6
95.04969	23.2
95.08606	6.8
97.06530	17.7
98.22591	1.9
99.04469	1.5
99.08070	1.3
99.23181	1.1
102.78762	1.1
103.04877	1.7
103.05477	18.4
105.03388	1.4
105.04539	5.3
105.07026	9.5
106.04177	90.2
107.04995	9.8
107.08588	15.4
108.02094	1.2
108.05712	2.1
109.06522	7.3
109.10135	3.1
111.04428	5.8
111.08080	2.1
117.03387	4.6
117.07003	3.2
118.06537	1.0
119.04942	4.2
119.08581	4.8
121.06509	85.4
121.10158	6.9
122.03658	1.8
122.07347	1.6
123.04438	6.8
123.08074	5.9
124.05226	3.0
125.05993	26.2
125.09606	1.5
130.07838	1.2
131.04919	3.6
131.08557	10.5
133.02856	2.0
133.06442	1.0
133.10115	4.1
134.03630	12.0
135.04408	4.2
135.08064	3.7
135.11682	3.6
137.05980	11.5
138.06786	5.4
139.07536	6.9
145.02806	4.9
145.10139	7.2
147.04466	2.4
147.08049	2.5
147.11711	1.8
148.05215	9.5
149.05983	100.0
149.09604	17.4
149.13254	2.5
150.06424	2.0
151.03935	2.0
151.07521	5.1
151.11186	3.4
153.05467	6.0
153.09091	18.5
159.04373	2.6
163.03896	1.7
163.07527	7.8
163.11188	6.3
163.14828	1.8
165.05452	2.8
165.09091	4.1
165.12726	1.8
166.06238	2.0
167.07043	2.2
167.10698	4.5
173.13225	2.8
177.03983	2.1
177.05475	33.3
180.07811	2.1
181.08611	20.4
181.10153	1.9
191.07007	3.7
191.10674	14.3
191.14365	6.5
194.05859	1.6
209.04398	1.7
209.07980	15.7
209.09779	1.4
209.11627	12.0
209.13504	1.5
209.15318	10.0
209.20877	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	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03951	9.1
55.01876	12.1
55.05517	7.5
57.03433	2.4
57.39426	1.2
65.03945	13.2
67.05509	11.1
68.99811	1.2
69.03422	1.8
69.07065	3.6
71.04990	5.3
71.29489	1.8
71.46866	1.2
75.04484	13.9
77.03929	2.3
78.04721	16.0
79.05501	13.9
80.05027	1.3
81.03429	4.8
81.07072	8.9
82.04236	1.5
83.04996	9.5
83.08621	4.5
85.02908	8.8
85.06579	3.1
89.03926	10.6
89.06038	3.1
89.75453	1.2
90.04270	2.4
91.05483	55.5
91.10325	1.2
93.03407	33.7
93.07050	26.0
93.36631	1.4
94.07439	1.7
95.04966	22.4
95.08621	3.5
97.06540	17.3
97.10183	1.7
99.04464	2.1
100.07645	1.5
103.05467	21.9
105.03391	4.1
105.04530	3.9
105.07034	7.2
106.04179	95.6
107.05016	9.5
107.08591	12.7
108.05161	1.4
108.05785	1.6
109.06519	8.5
109.10187	4.6
110.03686	2.1
110.07272	1.7
111.04459	5.2
111.08112	1.9
117.03381	6.1
117.07025	3.1
118.04149	1.5
119.04928	7.6
119.08585	4.2
120.05222	1.5
121.02954	1.4
121.06508	86.2
121.10137	6.4
122.07385	1.9
123.04421	6.2
123.08088	6.4
124.05245	1.4
125.05998	27.5
125.09647	2.2
131.04936	6.0
131.08566	8.3
133.02882	2.2
133.06461	1.5
133.10162	4.2
134.03621	15.7
135.04433	20.2
135.05450	1.7
135.08081	4.6
135.11708	2.4
136.04750	24.7
136.05829	2.2
137.05983	12.0
137.09610	1.6
138.06804	3.8
139.03955	1.2
139.07553	6.9
145.02896	5.0
145.10150	3.7
147.08008	1.5
147.11697	1.5
148.05205	8.5
149.05983	100.0
149.09599	10.8
149.13290	3.6
150.06345	3.0
151.03911	2.6
151.07559	5.3
151.11172	5.3
152.08325	1.4
153.05498	7.9
153.09106	23.5
159.04509	1.3
162.03114	2.0
163.03853	2.7
163.07532	5.9
163.08784	1.3
163.11217	5.7
165.05495	3.3
166.06311	4.2
167.07066	1.5
167.10606	1.7
167.14323	3.4
167.29314	1.2
173.13272	2.5
177.05478	36.6
178.05771	1.4
181.08621	19.4
182.15414	2.1
191.06995	4.5
191.10698	5.5
191.14297	4.8
209.04526	1.7
209.08096	18.5
209.11665	5.5
209.13667	19.3
209.15445	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.03770	1.1
52.35530	1.1
53.03939	3.6
55.01868	4.0
55.05510	6.0
57.03431	3.3
57.07067	1.7
57.11801	1.4
57.49429	1.2
65.03943	2.1
67.05505	8.0
69.03432	2.1
69.06741	1.4
69.07077	19.7
70.02958	4.0
71.04998	19.7
77.03957	1.1
79.05498	46.3
81.07054	8.8
83.04996	9.3
85.06566	1.3
91.05487	27.6
93.06474	2.4
93.07051	43.3
95.04975	10.4
95.08614	2.2
97.06548	7.5
99.04430	2.2
103.05431	1.7
105.06377	2.4
105.07039	26.4
107.04965	18.3
107.08601	51.7
108.08944	1.4
109.06521	6.8
111.04446	1.8
115.05501	1.4
116.06233	2.8
116.76329	1.2
117.07032	7.7
119.08588	11.3
121.06512	35.1
121.09300	2.1
121.10146	30.4
123.08070	2.9
125.05991	8.4
125.09725	1.4
129.07002	5.4
130.07803	3.4
131.04886	1.5
131.08574	100.0
132.08849	3.1
133.06522	2.1
133.10104	1.7
135.04433	3.7
135.08052	5.1
135.11694	4.4
139.07494	2.9
139.15207	1.3
141.05489	3.2
145.10135	35.4
145.11267	2.0
147.08064	4.7
147.11705	3.0
149.06013	7.9
149.09627	73.8
150.09953	2.6
151.07500	1.5
151.11104	1.4
153.05461	13.1
163.07449	1.7
163.11189	29.6
165.09081	2.5
167.06995	8.7
167.10699	2.5
173.09621	3.3
177.05519	1.7
191.10681	29.3
195.34306	1.1
209.11742	48.9
209.15253	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03943	2.5
55.01861	4.9
55.05503	4.7
57.03429	2.5
65.03934	1.8
67.05506	18.0
69.03423	3.0
69.07059	8.9
71.04999	16.2
79.05494	43.5
81.03410	2.3
81.07047	6.4
81.59785	1.2
83.04994	12.9
85.06518	3.7
91.05478	26.0
93.07047	30.1
95.04977	11.6
95.08596	2.1
97.06548	7.6
103.05422	1.9
105.07035	23.6
107.04959	30.9
107.08595	41.0
109.06503	4.3
111.04441	7.7
117.07034	9.9
119.08575	13.2
121.06524	22.5
121.10145	26.5
123.04401	3.6
123.08074	3.3
125.06020	11.7
129.07011	8.6
130.07809	1.3
131.08568	81.2
132.08902	2.5
133.06459	2.3
135.04388	1.6
135.07974	3.0
135.11684	8.6
139.07573	1.4
141.05449	1.9
145.06459	3.8
145.10124	38.8
146.10486	1.5
147.08044	8.7
147.11723	2.1
149.05959	3.7
149.09622	100.0
150.10059	2.1
151.07539	2.7
153.05420	7.3
163.07608	6.0
163.11177	35.7
164.11520	1.5
165.09105	16.1
167.07043	4.8
167.10683	14.6
173.09589	10.8
191.10664	54.4
192.11014	2.4
209.11725	64.3
210.12117	1.9
225.04332	1.4
229.56964	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.99158	1.2
52.37032	1.2
53.03939	2.5
54.18053	1.3
55.01867	4.0
55.05510	5.7
57.03435	2.9
65.76419	1.3
67.05494	5.8
69.03423	2.5
69.07074	20.0
70.02600	1.9
70.02927	2.7
71.04992	17.8
79.05499	44.2
81.03442	1.4
81.07054	9.3
83.04965	9.5
91.05487	26.2
93.07049	41.7
95.04979	10.0
97.06554	8.7
103.05473	2.2
105.07048	24.3
107.04956	20.4
107.08597	51.4
107.69184	1.4
108.08926	1.4
109.06514	3.0
111.04428	2.6
116.06249	2.7
117.07012	5.8
118.06422	1.3
119.08606	7.1
121.06510	35.3
121.10147	25.4
123.08076	3.2
125.06001	7.0
125.09650	1.4
129.07004	3.5
130.07779	4.6
131.08575	100.0
132.08910	1.8
133.06544	1.8
135.04437	2.7
135.08057	2.1
135.11583	2.5
137.05972	1.5
139.07521	3.1
141.05482	2.1
143.08609	1.5
145.10133	38.0
147.08049	3.8
147.11662	2.7
149.05988	5.4
149.09628	75.5
153.05455	12.8
163.11201	26.6
165.09160	1.9
167.07057	5.9
167.10724	3.3
173.09639	3.6
191.10687	27.0
209.04515	1.4
209.11743	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02389	0.8
53.03937	3.1
55.01870	12.3
55.05512	13.9
57.03439	3.6
57.07081	1.8
59.04998	2.6
65.03931	5.2
67.05177	1.6
67.05507	19.9
68.99793	1.1
69.03444	4.5
69.07068	14.1
69.15757	3.4
69.16174	3.8
70.06585	1.8
71.04995	20.2
72.04513	2.2
77.03883	1.1
78.04702	1.6
79.05495	44.9
81.03418	2.4
81.07055	13.1
83.01340	20.0
83.04988	17.3
83.08619	4.2
85.02901	2.9
85.06555	7.7
91.05482	33.0
93.03418	4.1
93.07047	40.3
95.04964	18.3
95.08610	4.7
97.02873	1.6
97.06535	16.9
97.10165	1.8
98.22562	1.6
98.40844	0.9
99.04449	3.2
99.08094	14.0
101.06027	3.8
103.05459	4.5
104.29658	0.9
105.03390	1.0
105.04549	2.0
105.07031	28.2
106.04179	9.9
107.04957	29.5
107.08595	48.5
108.08930	1.2
109.02888	1.4
109.06522	8.2
109.10180	5.0
111.04427	6.3
111.08094	7.8
115.05453	1.5
116.06252	2.2
117.03362	1.1
117.07028	10.1
119.04933	0.9
119.06072	1.0
119.08582	15.8
121.06509	37.2
121.09299	1.9
121.10146	33.5
123.04443	3.8
123.08093	4.5
123.11714	2.2
125.05997	15.4
125.09620	13.6
127.07543	0.9
128.06245	1.3
129.06967	6.7
130.07774	3.8
131.04927	2.8
131.08571	82.9
132.08905	1.3
133.06458	1.3
133.10132	4.5
134.03587	2.4
135.04401	2.5
135.08060	10.2
135.11676	8.9
137.05978	2.8
137.09587	6.0
138.06781	1.2
139.07558	14.3
139.11172	6.3
141.05482	1.8
143.08601	2.3
145.02788	1.5
145.06459	2.7
145.10126	43.6
147.04396	1.2
147.08026	8.9
147.11694	3.4
148.05209	3.1
149.06013	17.0
149.09619	100.0
149.13271	2.5
150.09856	2.0
151.11151	6.8
153.05476	7.9
153.09111	7.1
155.07076	1.3
155.08545	1.4
155.10637	1.6
163.03955	1.1
163.07603	6.8
163.09810	1.8
163.11185	35.8
163.14854	3.1
164.01376	0.9
164.11560	1.2
165.09129	15.6
165.12759	1.0
166.06238	1.3
167.07054	5.1
167.10693	10.3
167.14194	1.4
173.09610	8.6
173.13281	3.1
174.05498	1.0
174.14682	0.9
177.05499	9.5
179.10712	1.1
181.04984	8.2
181.06456	1.6
181.08575	2.0
181.12141	1.1
181.15860	5.3
191.03362	2.9
191.10666	53.8
191.14296	12.8
192.11032	0.9
194.02101	1.2
194.05739	2.0
209.04401	6.1
209.08119	7.8
209.11740	69.8
209.15327	46.1
209.18407	1.2
210.12044	2.3
210.15488	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03949	6.5
53.93002	1.9
55.01873	6.5
55.05511	15.9
57.07076	3.1
59.04997	2.2
65.03954	3.1
67.05513	18.9
69.03442	10.1
69.07075	10.1
69.96246	4.5
69.96642	3.8
71.05002	16.3
79.05492	45.8
79.05916	3.7
81.03419	4.3
81.07052	23.9
83.04994	9.9
85.06548	3.5
91.05477	34.8
93.03424	4.2
93.07043	79.7
95.04967	16.4
95.08598	11.8
97.06525	9.1
99.04459	11.9
101.06022	3.6
103.05465	7.3
105.04569	2.6
105.07034	100.0
106.04176	9.5
106.07405	2.6
107.04965	16.3
107.08590	77.9
107.09290	4.0
109.06512	16.3
109.10146	2.7
111.04446	5.0
115.05424	2.5
117.07002	14.2
119.08585	40.3
121.06499	38.9
121.10147	57.7
123.08072	6.0
125.05981	6.0
125.09666	2.0
129.06979	3.5
130.07742	4.3
131.04974	3.2
131.08551	21.6
133.06523	3.1
133.10118	4.1
135.04420	16.1
135.08066	25.8
135.11696	28.6
137.05983	2.7
139.07587	2.2
145.10123	54.4
147.08080	5.2
147.11667	2.9
149.05972	24.6
149.09605	36.5
149.13263	4.5
150.05421	3.0
151.11168	5.3
153.05518	5.9
153.09074	4.2
163.07538	5.4
163.11177	99.9
164.11549	2.4
165.09071	9.6
165.12849	2.5
166.07878	2.1
167.07106	5.9
167.10667	4.0
173.09647	13.5
177.05518	9.3
181.08646	4.2
181.12277	3.9
191.07085	2.2
191.10661	47.1
191.14352	5.8
192.11008	2.9
209.04480	4.0
209.08006	4.9
209.11720	34.1
209.15221	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01867	3.4
55.05515	100.0
57.03448	3.4
57.07085	2.9
59.05000	7.7
65.03960	1.6
67.05508	10.4
69.03439	5.8
69.07060	11.2
71.05002	6.2
79.05509	12.3
81.07061	15.3
82.06566	9.3
83.04987	91.5
83.08624	61.3
84.08160	2.8
84.30756	1.7
85.06550	3.6
91.05505	7.2
93.07047	30.6
95.04977	64.9
95.08607	10.1
97.06538	9.8
97.10191	7.9
99.04503	10.3
100.11275	27.0
105.07057	8.3
107.04984	2.3
107.08596	38.1
109.06532	22.1
109.10162	24.8
110.06057	7.0
111.04431	1.8
111.08080	11.5
119.08597	3.3
121.06547	2.6
121.10149	64.6
123.11717	9.7
125.09628	9.7
131.08566	3.5
133.10164	9.5
135.08072	4.7
135.11722	3.9
139.08682	2.8
145.09976	2.1
149.05952	2.7
149.09662	3.7
149.13277	6.4
151.11189	38.0
153.09102	14.5
163.14842	12.3
167.14317	66.6
173.13327	2.0
191.03438	2.5
191.14369	7.0
209.15424	23.6
217.16693	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.9
55.01867	1.7
55.05513	25.7
57.03432	1.4
57.07077	1.8
59.04992	1.9
65.08788	1.1
67.05499	4.7
69.03419	5.2
69.07076	9.0
69.66531	2.4
69.66921	2.7
71.04992	1.2
72.88025	1.1
73.88947	1.2
79.05498	8.7
81.07047	7.2
83.04980	29.9
83.08622	16.3
85.06564	1.3
91.05499	5.7
93.06475	1.9
93.07050	32.1
95.04961	16.7
95.08596	6.6
97.06552	2.8
97.10165	4.0
98.23343	2.2
99.04447	2.9
103.81969	1.1
105.07037	7.1
106.30437	1.2
107.08601	34.4
109.06508	10.3
109.10143	8.9
111.08100	3.6
115.07520	1.4
119.08592	3.9
121.10149	100.0
122.10435	2.6
123.11723	3.6
125.09641	4.7
131.08595	1.5
133.10139	3.5
135.07999	2.4
135.11682	2.9
144.86440	1.4
149.09592	3.3
149.13274	2.1
151.11195	14.2
153.09125	5.5
163.14810	18.3
167.14319	23.4
173.13290	2.9
191.14273	7.8
209.15358	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.15631	1.3
53.03935	5.3
55.01874	9.6
55.05514	55.9
57.03442	6.7
57.07075	9.0
59.04991	5.6
62.97400	1.4
65.03934	3.0
66.04727	1.1
67.05510	30.4
68.99781	1.6
69.03436	18.4
69.07072	22.7
70.08076	3.1
70.08409	1.4
71.04994	14.0
78.04712	1.5
79.05495	45.1
81.03392	3.8
81.06588	2.8
81.07062	52.3
83.04983	77.6
83.08619	25.3
85.02874	2.0
85.06543	16.4
91.05481	32.8
93.07048	82.2
94.07340	2.4
95.04974	88.9
95.08054	1.5
95.08613	15.0
96.05293	1.5
97.06533	27.3
97.10156	4.1
99.04465	23.8
99.08065	2.5
99.22887	1.3
101.06030	1.3
103.05457	3.6
105.07039	44.8
106.04094	1.8
107.04960	10.6
107.08599	79.2
108.08920	1.9
109.06523	80.5
109.10150	23.6
110.06876	1.5
111.04459	2.9
111.08083	14.5
113.05986	5.5
113.09637	1.5
115.05434	3.1
117.07025	18.1
119.06147	1.5
119.08586	42.6
121.06512	38.1
121.10149	73.7
122.10474	1.7
123.08073	11.3
123.11721	10.5
125.05988	2.7
125.09630	17.0
129.06952	3.3
130.07774	5.9
131.08574	16.0
133.06497	1.7
133.10132	19.0
135.08057	48.1
135.11699	18.6
136.07491	1.4
136.08392	2.2
137.09550	2.8
137.13304	1.7
139.07498	3.8
143.08594	1.5
145.09016	2.6
145.10129	49.0
146.10458	2.4
147.11682	7.8
149.05971	6.0
149.09619	26.3
149.13272	12.3
151.11183	27.5
153.01917	1.4
153.05409	2.2
153.09111	37.4
155.08676	1.6
158.07338	1.3
158.10886	2.4
163.11191	100.0
163.14812	10.1
164.11517	2.6
165.12752	4.9
167.06990	1.7
167.10678	2.0
167.14314	44.1
168.14580	1.3
173.09651	11.2
173.13257	14.1
177.05545	1.6
181.12305	2.4
181.15843	1.9
191.03430	1.5
191.07004	2.0
191.08908	1.9
191.10669	37.4
191.14307	24.1
209.04520	1.8
209.08086	4.0
209.11732	28.5
209.15355	53.4
215.39868	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03945	2.2
54.28226	0.9
55.01862	3.4
55.05513	79.4
57.03428	1.4
57.07072	2.3
59.04996	3.2
63.92445	1.0
63.92863	1.0
67.05504	8.1
69.03430	8.3
69.07071	5.2
69.31897	5.5
69.32285	2.2
71.04997	2.4
71.55854	1.0
77.03909	1.0
79.05495	9.1
81.07054	11.4
83.04985	100.0
83.08622	37.2
83.09122	1.6
84.09002	1.0
85.06551	3.8
91.05484	5.6
93.07053	11.3
95.05000	5.7
95.08607	5.9
97.06537	9.1
97.10176	8.2
99.08065	2.2
105.07037	6.8
107.04972	1.3
107.08590	20.3
109.06509	11.1
109.10161	23.5
111.08098	8.8
113.09666	1.6
117.07037	1.7
119.08555	3.9
121.06525	2.4
121.10152	10.2
123.11709	10.5
125.09632	13.9
130.30199	1.0
131.08545	3.7
133.10112	6.7
135.08070	3.4
145.10143	4.0
149.07216	1.2
149.09636	2.6
149.13284	8.1
149.14279	1.5
151.11189	37.2
153.09070	1.5
163.11203	6.8
167.14320	76.7
167.72723	1.0
168.14751	2.2
173.13243	2.3
191.10657	2.2
191.14352	2.2
209.11783	3.2
209.15372	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.68077	0.5
53.03949	1.0
53.24356	0.4
55.05509	5.2
57.07077	11.4
59.04998	0.7
60.22554	0.4
65.03917	0.7
67.05505	8.1
69.03432	21.8
69.07072	4.9
69.28806	2.0
69.29208	0.9
71.04980	0.7
73.47208	0.5
79.05497	6.2
81.07059	12.5
82.07372	0.7
83.04985	14.0
83.08630	2.1
85.06078	0.7
85.06550	9.0
86.16273	0.5
91.05482	5.2
93.07047	5.8
95.04978	1.3
95.08610	8.9
97.06551	2.3
97.10181	0.7
98.23344	0.6
99.08112	1.2
105.07041	6.7
107.04976	0.7
107.08597	29.4
107.99529	0.4
108.08893	0.6
109.06516	10.0
109.10162	3.2
111.04417	0.7
111.08081	9.6
117.07011	1.1
119.06037	0.6
119.08569	4.8
121.06512	1.9
121.10143	10.9
123.08079	5.2
123.11696	6.3
125.09634	66.4
126.09962	1.3
127.07558	0.5
131.08563	6.0
133.10133	7.4
135.08051	13.1
135.11690	5.6
136.08827	0.4
137.09624	1.5
137.13252	1.5
143.08565	1.7
144.09323	0.8
145.10124	2.9
147.11661	4.7
149.09624	8.8
149.13254	9.5
149.14337	0.8
150.10393	1.6
151.11205	4.5
153.09105	13.5
158.10918	3.2
161.09673	1.1
161.13228	0.5
163.11226	3.6
163.14827	6.0
165.11366	0.9
165.12759	16.8
166.13107	0.7
173.13268	17.3
174.13565	0.7
176.11922	1.3
191.14310	99.9
192.14680	3.6
209.15372	100.0
210.15700	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	3.7
55.01869	8.9
55.05513	31.1
57.03440	2.3
57.07075	7.0
59.04992	2.5
63.43796	1.1
65.03662	0.9
65.03947	7.7
67.05506	18.0
68.05850	1.0
68.09493	1.2
68.99798	2.3
69.03432	26.6
69.07068	15.2
70.06581	1.8
71.04990	6.0
71.30470	1.5
78.04720	1.9
79.05495	14.1
79.88661	1.2
81.03429	1.2
81.07059	17.0
82.04200	2.7
83.04982	23.6
83.08622	13.2
85.02911	4.6
85.06125	1.3
85.06551	11.4
91.05481	16.1
93.03410	5.3
93.07043	26.7
95.04973	9.0
95.08614	21.0
96.08965	1.2
97.06538	9.9
97.10166	21.4
99.04444	1.3
99.08096	12.3
103.05462	4.0
105.07032	11.5
106.04185	8.7
107.04963	4.1
107.08594	45.2
108.02110	1.8
109.06517	12.9
109.10153	16.2
110.03632	2.5
111.04440	3.2
111.08087	9.2
113.06005	11.8
113.09620	1.3
117.07025	2.1
119.04951	1.6
119.08578	5.2
121.06507	19.5
121.10142	32.2
123.00771	1.2
123.08067	4.7
123.11720	6.2
125.06023	9.7
125.09633	100.0
125.13236	2.4
126.09995	2.5
127.07575	2.4
131.02983	1.0
131.04965	2.4
131.08575	8.4
133.10135	12.4
134.03671	2.9
135.04419	3.4
135.08054	13.9
135.11716	7.3
136.05219	1.7
137.05965	3.4
137.09583	5.4
139.07578	8.3
139.11153	4.4
145.10136	4.6
147.11671	4.7
148.05186	1.8
149.05984	13.3
149.09621	60.5
149.13248	15.2
150.09927	2.1
151.11183	40.4
153.05441	2.2
153.09097	23.9
154.09789	3.4
158.10895	1.7
163.03893	1.9
163.07555	2.8
163.11215	2.6
163.14812	14.7
165.12784	2.0
167.10666	1.4
167.14322	3.9
171.06500	1.9
173.13269	11.4
177.05478	7.4
179.07027	2.7
180.07855	2.0
181.04959	33.0
181.08527	2.1
182.05583	1.0
191.03383	2.5
191.07045	1.5
191.10698	2.3
191.14310	29.2
209.04514	5.1
209.08009	10.2
209.09801	1.6
209.15372	68.6
210.15660	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	4.5
55.01857	3.1
55.05511	10.1
57.03440	6.8
57.07067	4.0
57.13963	1.4
59.04993	4.4
65.03950	2.4
65.25907	1.6
67.05508	12.2
69.03434	18.4
69.07071	15.0
69.15186	5.2
69.15592	4.0
71.05002	10.2
77.61494	1.3
78.38765	1.2
79.05495	25.7
80.67551	1.3
81.03420	9.5
81.07065	22.1
83.04993	11.5
83.08624	4.8
85.02908	2.0
85.06545	4.7
85.78075	1.2
87.04482	2.2
91.05490	20.1
93.07050	25.6
95.04971	17.8
95.08611	30.2
97.06552	9.5
99.04453	6.1
99.08057	1.8
103.05482	2.8
105.07037	20.8
106.04169	3.1
107.04967	7.2
107.08599	50.9
109.06523	19.0
109.10162	11.1
111.04446	1.9
111.08070	1.6
113.06049	1.8
116.21481	1.4
117.07013	5.7
117.27692	1.4
119.08586	12.6
121.06516	13.7
121.10146	37.7
122.07291	1.6
123.08067	13.3
123.11716	15.6
125.06019	4.7
125.09641	4.0
129.06996	2.1
131.08569	23.8
133.10153	13.8
135.04434	2.2
135.08087	13.1
135.11697	6.3
137.05965	2.3
137.09630	4.2
137.13287	2.9
139.07510	1.7
145.10144	14.7
147.08064	2.8
147.11691	10.9
149.05992	6.9
149.09622	68.0
149.13284	16.3
150.09962	3.0
151.11171	21.9
153.05447	3.1
158.10989	1.9
163.11177	11.9
163.14789	7.7
165.09079	2.7
165.12767	100.0
166.13066	4.1
167.10698	8.0
173.09644	2.5
173.13263	10.7
177.05470	4.7
181.08658	2.2
191.03386	2.0
191.10690	11.0
191.12488	1.9
191.14282	20.1
209.08067	2.4
209.11786	16.1
209.15375	50.0
228.81081	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02365	2.4
53.03940	4.9
55.01876	11.7
55.05513	41.8
57.03413	5.9
57.07061	4.9
58.74083	1.6
59.04997	4.1
65.03941	7.6
66.13808	1.3
67.05503	26.3
69.03428	16.6
69.06734	2.0
69.07069	26.3
70.85072	2.6
71.01342	1.5
71.04993	22.9
71.30659	1.4
75.04481	3.5
78.04704	1.9
79.05500	26.3
81.03415	5.0
81.07062	36.3
83.01337	13.4
83.04982	54.2
83.08617	22.0
84.04479	1.6
85.02901	7.6
85.06533	8.2
89.03904	2.6
91.05485	34.1
93.03406	10.2
93.07043	42.6
94.07391	1.6
95.04970	32.0
95.08056	2.9
95.08610	41.6
97.02886	6.2
97.06540	20.4
97.07189	2.2
97.10172	5.7
99.04440	7.3
99.08105	11.1
101.05989	3.1
103.05456	6.5
105.04539	2.2
105.07032	24.2
106.04171	21.0
107.04968	11.6
107.08598	63.8
109.02890	9.0
109.06524	18.2
109.10155	28.3
111.04446	13.3
111.08080	15.1
113.09660	1.6
115.05425	2.5
117.07011	6.8
119.08598	14.7
121.06509	40.2
121.10146	48.1
123.04410	2.9
123.08066	13.0
123.11703	10.7
125.06006	10.0
125.09618	22.1
129.06973	1.8
131.04942	1.9
131.08572	23.6
133.10129	29.9
134.03653	2.8
135.04414	3.2
135.08051	27.3
135.11694	16.7
136.07541	1.7
137.05983	4.1
137.09630	6.9
139.07555	7.8
139.11143	9.5
143.08514	1.9
145.02882	2.2
145.10124	14.8
147.04407	1.8
147.08040	3.7
147.11693	11.2
148.05176	3.0
149.05975	28.6
149.07077	2.1
149.08539	2.8
149.09630	39.4
149.13249	24.2
150.05444	2.4
151.03911	2.2
151.11179	100.0
152.11496	3.2
153.05446	4.1
153.09067	14.9
158.10922	2.9
163.03868	2.3
163.07587	4.0
163.11166	12.3
163.14830	11.1
165.05537	1.9
165.09132	3.3
165.12758	8.5
167.07027	3.1
167.10649	4.4
167.14320	26.5
173.09592	3.8
173.13261	21.8
175.22508	1.7
177.05501	13.1
181.08556	4.9
181.10052	2.0
181.15857	3.1
191.03481	1.7
191.07042	2.8
191.10684	14.9
191.14307	55.0
194.05710	2.0
209.04385	3.2
209.06351	1.7
209.08101	5.4
209.09753	2.1
209.11658	30.4
209.15370	55.7
209.18904	2.7
210.07552	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	1.2
55.01869	0.6
55.05509	2.4
57.03439	0.3
57.07076	2.0
59.05000	1.4
65.03947	0.5
67.05507	4.9
69.03431	12.8
69.07071	5.1
70.03775	0.2
70.51991	0.4
71.04988	1.2
76.28936	0.2
77.03921	0.3
79.05494	3.8
81.03419	10.7
81.07059	8.4
82.07382	0.2
83.04982	3.6
83.08623	1.0
85.02906	0.2
85.06544	0.5
86.06049	0.2
91.05479	4.0
93.03392	0.2
93.07047	4.8
95.04971	7.8
95.08607	10.5
96.05289	0.2
96.08928	0.3
96.36119	0.2
97.06526	0.9
97.10172	0.2
99.08108	1.2
103.05470	0.5
105.07030	6.4
106.04166	0.4
107.04961	0.6
107.08596	10.5
108.05702	0.4
108.08926	0.2
109.06519	12.5
109.10154	2.3
110.07307	0.7
111.04462	0.4
111.08096	0.8
113.92213	0.2
115.05492	0.4
117.07005	0.9
119.06086	0.5
119.07919	0.2
119.08583	6.3
121.06493	2.1
121.10146	12.8
122.07291	0.7
122.10448	0.2
123.08073	12.1
123.11703	8.5
124.08415	0.2
124.11996	0.2
125.06026	0.2
125.09656	0.5
131.08554	1.3
132.09300	0.2
133.07642	0.4
133.10114	1.0
135.08066	2.1
135.11670	1.1
136.08801	0.3
137.09615	3.8
137.13255	2.4
141.09074	0.2
143.08534	0.3
145.06477	0.3
145.10112	1.3
147.08118	0.2
147.11691	3.9
149.05965	0.6
149.09618	10.6
149.13258	6.4
150.10008	0.4
150.13632	0.3
151.11180	5.3
153.09120	0.3
158.10841	0.4
163.07503	0.4
163.11208	0.7
163.14815	0.9
165.12753	100.0
166.13089	3.1
169.79791	0.2
173.13248	1.6
177.05423	0.2
182.15282	0.3
191.10696	0.3
191.14323	2.1
198.73671	0.2
209.15369	33.0
210.15703	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03957	2.3
55.01874	2.2
55.05511	3.8
57.07083	2.9
59.05001	1.4
67.05513	6.6
69.03432	7.7
69.07073	15.1
69.11124	8.9
69.11530	2.3
71.04983	7.2
79.05482	7.4
81.07061	14.6
81.22389	1.3
83.04974	12.1
83.08630	5.9
91.05481	7.2
93.02896	1.2
93.03435	4.7
93.07053	12.2
95.04984	4.4
95.08614	30.8
97.06540	12.3
99.08116	3.2
103.05462	2.5
105.07013	6.9
106.04183	7.1
107.04999	1.3
107.08596	35.1
107.09288	2.0
108.08932	1.7
109.06511	10.2
109.10165	14.4
111.08112	5.4
113.09665	2.3
117.07047	1.3
117.49911	1.1
119.08573	4.1
120.05789	1.3
121.06495	12.3
121.10146	26.7
123.08092	5.7
123.11700	5.7
125.06020	2.9
125.09626	9.9
131.08603	6.9
133.10146	19.3
135.08058	15.0
135.11703	7.2
137.09625	1.6
139.07497	1.5
139.11183	2.9
143.08522	1.6
145.10161	1.9
147.11700	8.2
148.08839	1.3
149.06000	8.5
149.09581	10.3
149.13249	17.6
150.10060	1.4
151.11186	100.0
152.11551	2.6
153.09122	4.2
158.10921	3.6
163.14806	11.5
165.12782	5.2
173.13274	16.2
176.86475	1.5
177.05530	4.8
181.08606	2.3
191.14314	54.4
203.88577	1.2
209.08032	2.4
209.15373	18.0
226.96338	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	2.4
55.01882	7.8
55.05515	27.8
57.03435	4.6
57.07074	3.2
59.05003	2.2
65.03917	2.6
67.05514	13.6
68.99777	1.1
69.03430	6.9
69.07074	18.6
70.60139	1.6
71.04994	12.9
73.05929	1.0
73.06573	0.9
79.05499	31.6
81.03411	1.7
81.07053	14.0
83.01344	55.0
83.04985	21.0
83.08621	8.9
85.06543	7.6
91.05482	20.1
93.06474	1.6
93.07047	28.7
95.04973	10.9
95.08614	9.3
97.02889	1.8
97.06538	29.9
97.10146	2.7
98.76865	0.8
99.04447	5.7
99.08097	29.1
101.06020	6.6
103.05466	2.0
105.03399	1.6
105.07035	17.7
106.04186	2.9
107.04958	16.6
107.08598	45.2
108.08878	1.3
109.02887	1.2
109.06523	12.2
109.10159	9.9
111.04422	5.7
111.08086	16.2
113.05978	1.4
113.82086	0.9
115.05430	1.1
116.06231	0.9
117.07048	5.6
119.08575	11.1
121.06496	15.2
121.10151	29.0
122.07270	1.5
122.10441	1.1
123.04437	1.9
123.08081	7.2
123.11722	3.5
125.05990	7.6
125.09628	27.1
126.06759	1.4
127.07555	2.6
129.07007	2.9
130.07826	2.1
131.08575	37.6
133.10141	12.8
135.08061	16.3
135.11693	9.1
137.05890	0.9
137.09616	9.4
137.13300	1.0
139.07550	35.6
139.11179	10.4
141.05426	1.2
142.38841	1.0
143.08601	1.0
145.06447	1.5
145.10132	22.3
146.10429	0.9
147.08031	2.3
147.11682	2.4
149.06013	4.4
149.09628	59.9
149.13257	6.5
150.09940	2.0
151.11186	8.9
153.05527	2.6
153.09100	17.2
154.09825	1.8
155.08607	1.0
155.10696	2.1
158.10907	1.6
163.07533	2.7
163.11188	15.8
163.14832	7.5
165.09108	9.3
165.12772	2.0
167.07097	1.1
167.10710	8.8
167.14302	2.4
171.10185	1.1
173.09622	4.1
173.13261	8.1
177.05457	1.6
181.15871	12.3
191.10674	24.8
191.14307	25.6
192.10991	1.3
203.75264	1.0
209.04497	2.5
209.11800	29.6
209.15369	100.0
210.12050	1.2
210.15735	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	4.1
55.01876	4.4
55.05499	11.0
57.07061	4.8
64.73959	2.7
65.03933	5.0
67.05511	55.3
69.07076	12.8
71.01353	2.5
71.05009	5.4
71.30048	2.3
79.05498	32.4
81.03393	3.6
81.06584	5.3
81.07058	100.0
82.07372	6.2
83.04966	6.8
83.08614	10.9
85.06532	3.3
87.24680	2.3
90.89658	2.5
91.05491	18.9
93.07055	36.2
95.04951	3.5
95.08611	81.9
96.08962	3.0
97.06524	13.1
105.07022	11.0
107.08603	30.2
109.06540	5.6
109.10162	13.6
111.04471	2.5
111.08080	6.5
117.07005	4.1
119.08603	4.3
121.10133	13.8
130.04996	2.8
131.08572	22.6
133.10126	6.7
135.08014	3.4
135.11768	2.7
145.10135	3.7
147.11679	10.4
148.51176	2.6
149.13258	15.3
163.14821	8.1
173.13283	28.1
174.13660	6.4
191.14348	12.1
192.14659	7.1
209.11696	5.9
209.15384	50.5
209.17273	6.6
210.18518	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	8.3
53.78444	1.8
54.97680	2.0
55.01880	15.0
55.05274	2.8
55.05515	39.6
57.03415	3.1
57.07084	9.0
59.04987	5.7
65.03941	5.2
67.05511	28.9
68.88749	1.7
68.99799	3.1
69.03436	24.4
69.06740	1.9
69.07081	31.5
70.64937	3.5
71.04993	22.9
78.04719	4.7
79.05064	3.6
79.05502	44.6
79.51914	1.6
81.03412	4.4
81.07057	42.9
83.04486	4.4
83.04984	83.9
83.08627	14.4
85.02898	4.1
85.06544	13.2
89.03931	4.3
91.05482	44.8
93.03396	4.2
93.06474	4.0
93.07050	73.8
94.07388	1.9
95.04984	26.6
95.08609	52.2
97.02909	2.0
97.06534	20.8
97.10162	7.5
99.04447	6.6
99.08108	14.4
103.05485	21.5
105.03368	2.9
105.04551	2.5
105.07037	30.1
106.04179	15.7
107.04395	2.2
107.04974	26.0
107.08601	100.0
108.08906	4.1
109.02871	5.9
109.06523	32.5
109.10161	32.3
110.13263	1.8
111.04447	5.8
111.08084	18.0
113.06014	9.8
115.07533	2.3
117.03379	3.8
117.07054	8.7
118.06584	2.1
119.04921	5.1
119.08576	20.3
120.05766	2.8
120.08114	3.3
121.06516	50.1
121.08414	4.4
121.10148	66.1
122.06753	2.0
123.04381	4.2
123.08064	17.6
123.11720	12.3
125.06017	14.3
125.09642	32.1
127.07610	3.9
129.07051	3.9
130.07820	2.8
131.04933	17.0
131.08571	49.0
133.10136	38.4
134.03688	10.1
135.04382	5.4
135.08060	25.4
135.10661	3.7
135.11700	74.8
137.06013	4.7
137.09622	5.7
139.07524	9.5
139.11186	3.9
141.05397	2.3
143.08578	3.3
145.02838	4.4
145.10130	25.9
147.04309	2.3
147.08037	5.4
147.11717	13.8
148.05193	6.9
148.08751	1.9
149.05986	40.6
149.09625	93.5
149.13258	32.5
150.09950	2.4
151.11192	96.6
152.11493	5.2
153.01918	2.4
153.05449	5.0
153.09106	33.5
158.10966	4.9
159.04407	5.4
163.03883	2.4
163.07497	4.7
163.11198	16.5
163.14821	17.2
165.05450	4.2
165.09094	4.8
165.12732	4.5
167.07063	6.8
167.10687	7.7
167.14310	10.7
173.09631	5.4
173.13287	24.8
177.05478	56.8
177.07019	2.9
178.05856	3.4
181.08624	4.2
191.06978	3.7
191.10689	23.7
191.14317	72.4
194.05717	2.9
209.04510	3.1
209.08061	21.5
209.11766	34.5
209.15367	68.5
209.17287	4.2
210.07559	3.6
210.15674	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	209.9566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48977	5.3
94.55873	6.5
94.93014	100.0
98.92612	5.6
112.89606	33.6
127.10513	6.1
192.93065	30.0
209.95619	69.7
210.89365	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	210.061
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27953	32.0
101.62911	10.8
109.79136	11.0
111.00855	16.5
129.01854	100.0
139.00290	29.8
147.02898	28.6
157.01337	20.2
164.07103	21.0
175.02428	24.7
205.92734	12.8
210.07639	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	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01853	0.6
55.05507	0.4
58.55959	0.2
65.03924	0.4
67.05505	0.4
68.99812	0.3
70.06596	0.4
72.04509	0.7
73.02927	1.7
77.03925	0.3
78.41779	0.2
79.05498	0.5
81.03407	0.5
81.07079	0.3
83.91124	0.2
85.02901	1.8
88.31811	0.2
91.04964	0.4
91.05482	4.6
93.07043	7.0
94.06587	0.3
95.04977	1.6
98.06140	0.2
103.05474	4.7
104.29681	0.2
105.03411	0.3
105.04488	0.4
105.07012	0.3
105.08091	0.2
107.04953	0.6
108.04585	0.2
108.05310	0.8
109.02876	0.6
110.06060	0.3
112.03933	0.4
119.04966	0.6
120.08147	0.3
121.06505	100.0
122.06042	0.5
122.06832	2.2
123.02654	0.3
123.04453	1.6
137.05945	0.4
138.09137	11.4
139.09552	0.2
140.03426	0.8
143.64922	0.2
146.06052	0.3
147.04417	1.8
149.05981	0.3
150.05501	0.4
151.03896	3.5
152.07088	0.3
162.49339	0.2
163.97693	0.4
164.07080	0.7
164.10674	0.3
165.05464	1.5
167.07050	1.3
168.06573	0.3
169.05032	0.4
175.03929	0.8
178.05879	0.3
181.08606	0.2
192.03653	0.3
192.06479	0.5
192.10208	0.9
193.04973	7.8
210.07631	1.2
210.11218	7.3
211.05991	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	210.1126
Annotation	p-Lactophenetide
Peak:m/z	Relative Intensity
50.97080	0.2
53.03941	1.0
55.01867	0.5
57.03426	0.2
62.10257	0.2
67.01830	0.3
67.05519	0.4
68.99794	0.5
70.06574	0.2
71.05003	0.2
72.04525	0.6
73.02924	1.9
79.05492	0.6
81.03421	0.9
81.07068	0.3
83.04971	0.4
85.02927	1.7
90.05587	0.4
91.05485	4.6
93.07051	7.2
94.07377	0.3
95.04948	1.3
95.47002	0.2
103.05476	5.4
105.04538	0.6
107.04978	0.9
108.05287	0.7
109.02872	0.5
109.06487	0.3
110.05973	0.3
112.04002	0.3
119.04962	0.5
121.06512	100.0
122.06051	0.5
122.06836	2.1
123.04411	1.3
127.03905	0.3
136.07599	0.5
136.11240	0.4
137.02347	0.2
137.05995	0.5
138.09146	11.0
139.09470	0.3
140.03427	0.5
147.04446	1.6
150.05452	0.2
151.03897	3.0
164.07095	0.7
164.10713	0.4
165.05492	1.3
167.07051	0.7
169.05037	0.4
175.03981	0.4
178.05826	0.5
182.05298	0.3
192.10164	1.1
193.04977	7.0
205.98947	0.4
210.07710	1.1
210.11249	6.3
210.14607	0.3
211.06012	2.2
211.11415	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	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02379	1.1
53.03950	5.3
55.01877	9.4
55.05501	1.8
56.82166	1.0
57.03429	1.2
65.03930	5.4
66.29497	1.0
67.05502	5.0
68.05025	1.3
68.99818	1.0
69.03445	1.4
69.07087	1.3
70.06572	1.8
70.67121	2.6
76.48929	1.1
77.03920	1.1
78.04706	4.6
79.05493	15.4
80.05021	3.2
81.03442	2.2
81.07080	5.1
83.08611	1.4
84.08121	1.4
85.02890	2.0
91.05482	92.9
92.05795	1.6
93.03357	1.3
93.07047	12.2
94.04194	1.3
95.04975	12.0
95.08614	1.9
97.22469	1.3
103.05467	14.6
105.03397	15.4
105.04505	2.8
105.07033	20.6
106.04186	2.1
107.04958	40.2
108.05791	2.5
109.02917	1.6
109.06519	25.6
111.04411	1.2
115.05446	3.7
118.04170	4.8
119.04947	100.0
121.06508	35.2
122.03722	1.1
122.07317	2.6
123.04414	9.9
123.08077	13.4
124.05219	4.5
125.05941	1.7
131.04932	1.7
131.98418	1.1
133.02927	1.6
133.06493	13.7
134.03630	16.0
135.04446	2.4
135.08078	1.8
136.05168	2.4
137.02272	1.6
137.05981	8.6
147.04408	16.8
149.05986	48.3
150.06630	1.3
151.03926	4.7
151.07535	44.3
152.04692	2.6
161.06012	8.0
163.97743	2.5
165.01921	1.3
165.05489	4.2
166.06277	4.6
167.07047	83.9
168.07567	1.5
179.07051	14.1
181.08601	16.3
181.10149	1.7
181.98729	1.3
183.04410	1.3
193.01292	1.2
193.05011	2.3
193.08507	1.2
193.10066	1.8
193.12256	1.2
194.02750	1.3
196.07343	4.0
203.91823	1.1
205.98795	2.2
211.02402	4.1
211.05980	1.6
211.09648	20.2
211.11415	2.3
212.09154	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	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02378	0.7
53.03955	2.4
55.01879	5.7
55.05499	0.7
57.03432	1.6
65.01258	0.5
65.03944	3.3
67.05505	1.9
69.17070	3.8
70.06597	1.0
71.83848	0.4
77.03932	0.6
78.04720	1.2
79.05502	10.1
80.04983	0.5
80.06262	0.7
80.54917	0.5
81.03455	0.5
81.07076	2.2
82.24170	0.5
83.50092	0.5
85.02922	0.6
91.05486	100.0
92.05827	2.0
92.76136	0.4
93.03425	0.7
93.07069	3.4
94.04190	1.1
95.04977	5.2
98.23486	0.6
103.05476	6.0
105.03393	7.8
105.04517	1.1
105.07037	9.3
106.04214	1.0
107.04961	21.2
108.05791	3.0
109.02805	0.5
109.06534	14.2
113.02426	0.5
115.05468	0.8
118.04189	2.8
119.04948	57.4
120.05213	0.7
121.06510	14.2
122.07317	1.4
123.04436	3.8
123.08067	6.0
124.05209	1.0
125.06013	1.0
125.09666	0.5
133.06494	7.6
133.07436	0.8
134.03633	8.4
135.04443	1.0
135.08090	1.5
136.05193	1.5
137.05992	5.2
138.05536	1.0
140.04697	1.4
146.03622	1.6
147.03375	0.3
147.04413	10.0
149.05989	17.0
150.06604	0.7
151.02155	0.8
151.03922	1.4
151.07550	25.2
152.04738	0.7
152.07906	0.5
153.05470	9.9
153.99870	0.5
161.05965	3.7
165.05518	0.9
165.09111	0.7
166.06313	1.5
167.07050	19.0
168.07820	7.0
178.06235	2.5
179.01680	1.6
179.05612	0.6
179.07065	7.6
181.08591	4.0
193.08598	2.5
196.07314	2.0
211.04283	0.8
211.09631	8.6
211.11421	0.9
211.14502	0.6
228.21021	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	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05518	0.6
57.03439	3.6
57.07058	0.4
59.04984	0.3
65.03938	0.6
67.05502	1.4
68.99931	0.2
69.03439	0.5
69.07060	0.4
69.57109	0.5
69.57488	0.7
71.05019	0.5
73.02916	0.4
73.56365	0.2
75.04493	0.9
77.14895	0.3
79.05494	1.5
81.03400	0.6
81.07076	1.4
83.01350	0.4
83.04987	0.4
88.25367	0.3
89.50887	0.3
91.05485	100.0
92.05824	1.7
93.07056	1.2
95.04988	1.3
95.08605	1.0
96.33588	0.3
97.06532	0.4
98.23300	0.5
105.07045	1.0
107.08592	0.6
109.06523	1.3
109.10156	1.1
111.04447	0.3
111.08096	0.4
119.05011	0.4
119.06110	0.3
119.08596	1.0
121.06530	0.6
121.10162	0.3
123.04417	0.5
123.08069	0.7
123.11690	0.4
133.10121	0.7
137.06004	2.1
137.09601	0.4
139.07547	1.0
151.07532	0.4
151.11214	0.8
165.09163	0.8
167.07008	0.7
179.46538	0.2
181.49336	0.2
193.08614	3.6
193.10210	0.4
193.12253	0.4
211.07840	0.4
211.09584	1.8
211.13095	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	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02365	0.9
53.03950	4.0
55.01876	10.7
55.05518	1.0
56.25622	0.5
57.03433	1.8
62.57926	0.6
64.70167	0.6
65.03937	5.4
67.05504	3.2
68.80151	0.6
69.03423	1.6
69.07078	0.9
69.50620	1.7
69.51025	1.5
71.04976	1.1
77.03912	1.1
78.04713	1.9
79.05498	14.8
79.05968	0.7
80.05019	1.7
80.06267	0.8
81.03423	1.6
81.07066	4.1
83.04981	0.9
84.04503	0.7
85.02917	1.7
91.05486	99.0
92.05810	2.5
93.03416	0.6
93.07056	5.3
94.04191	1.8
95.04979	8.1
95.08598	1.3
97.02917	0.6
97.06556	0.9
99.04422	0.7
103.05475	10.0
105.03392	14.2
105.04514	2.1
105.07034	16.8
106.04171	1.8
106.07426	0.8
107.04959	38.2
107.08585	1.4
108.05772	3.3
109.06524	24.7
109.10157	0.7
110.03683	0.8
111.04410	0.8
113.05981	0.7
114.61984	0.6
115.05448	2.3
118.04168	4.4
119.04949	100.0
120.05209	1.4
121.06513	27.1
122.03677	0.9
122.07314	1.2
123.04432	6.9
123.08074	11.4
124.05205	2.5
125.02369	0.6
125.05941	1.5
125.09641	0.9
131.04926	2.1
131.05934	0.8
133.02831	1.0
133.06499	13.2
134.03642	14.7
135.04451	3.0
135.08072	1.5
136.05206	3.0
137.01488	0.6
137.05988	7.9
138.00136	0.6
138.05495	2.0
140.04686	1.8
143.04865	0.5
147.04427	15.0
147.11641	0.8
147.84830	0.5
148.05099	0.8
149.05991	32.5
150.06535	1.1
151.03934	2.5
151.07547	46.8
152.04700	1.8
152.07906	1.1
153.05475	21.7
159.52231	0.7
161.05978	8.4
165.05492	2.1
166.05013	0.6
166.06261	2.0
167.07048	33.7
168.07834	13.6
179.07051	14.7
180.07706	1.3
181.08618	6.2
193.05013	0.7
193.08595	1.8
193.12367	0.6
194.02702	1.2
196.07327	4.9
205.98741	1.0
211.06056	0.7
211.07991	0.7
211.09654	15.9
211.11346	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	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03948	1.1
55.01880	1.0
55.05512	2.1
56.05854	0.8
57.03440	100.0
67.05505	1.5
69.07088	0.8
69.76197	1.7
69.76591	1.4
71.05005	0.8
79.05505	1.7
81.03405	1.5
81.07067	1.7
83.04953	1.2
83.08652	0.8
85.06567	1.2
91.05503	3.0
93.07063	1.5
94.54279	0.6
95.04991	2.7
95.08625	1.3
97.06502	0.8
98.23364	0.8
103.05498	1.7
105.07050	3.9
109.06547	1.4
109.10195	0.7
111.04462	1.1
116.17202	0.7
118.04211	1.0
119.08617	1.7
121.06623	0.7
122.61702	0.7
123.04478	2.3
128.07123	0.7
133.06535	3.1
133.10222	0.7
137.02393	1.7
137.05989	2.2
137.09682	0.8
140.04657	1.7
147.04443	1.0
150.06801	1.7
151.03949	1.6
151.11292	0.7
155.07085	2.7
165.01913	1.9
165.09207	2.1
167.07053	4.3
175.11137	0.8
179.07126	2.4
181.50244	0.7
183.02997	2.3
183.15834	2.0
193.08629	5.4
193.10187	0.8
211.02489	2.6
211.07715	1.4
211.09573	8.5
211.13174	0.9
211.15079	1.2
211.17047	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	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.61275	0.7
53.03934	0.7
53.88294	0.6
55.01863	2.6
55.05509	1.5
57.03437	5.1
65.03939	2.2
67.05503	4.4
68.99792	1.4
69.03422	1.2
69.07065	0.8
71.04980	0.8
71.30502	1.0
78.04697	0.8
79.05489	9.1
81.03409	2.6
81.07056	3.8
83.04958	1.6
83.08640	0.7
85.06535	0.9
90.04638	0.8
91.05488	12.2
93.07047	2.1
94.04198	0.8
95.04958	7.2
95.08627	3.2
103.05480	6.7
105.03381	1.0
105.04504	0.9
105.07036	21.8
106.04179	0.6
107.04960	4.6
107.08562	1.8
108.05735	2.5
109.02865	1.1
109.06515	2.3
109.10152	1.0
110.03667	1.4
111.04399	0.8
115.05415	1.2
118.04169	6.7
119.04935	8.9
119.08534	1.0
120.05703	1.3
121.02888	1.2
121.06496	2.6
122.07300	1.6
123.04430	51.6
123.08054	5.8
124.05255	1.3
125.06067	0.7
131.04933	1.0
133.06493	15.5
134.07262	1.1
135.04425	3.2
135.08037	1.9
136.05147	1.0
137.05986	5.2
146.03627	1.7
147.04425	6.4
147.11665	0.9
148.05124	0.8
149.05978	4.1
150.06767	9.8
151.03917	4.7
151.07549	28.9
155.08516	1.6
157.10118	0.8
161.06032	1.3
161.07094	3.0
163.04004	0.8
165.09122	6.8
167.07076	8.0
167.08441	1.3
168.09312	1.5
169.10114	0.6
175.14847	1.0
178.06285	0.7
179.07036	100.0
180.07408	3.2
181.08653	0.8
181.10118	1.3
183.11749	1.6
193.08595	21.5
193.10095	1.8
193.11954	0.8
211.07721	1.1
211.09601	12.5
211.11070	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.85137	1.0
53.03945	5.0
55.01868	5.4
55.05513	39.7
55.43192	1.0
57.03439	6.6
57.07080	1.2
59.04996	1.8
65.03951	2.3
67.05509	29.7
69.03432	9.5
69.07079	11.7
71.04992	5.2
71.28139	1.3
79.05496	31.4
79.64096	1.0
81.03422	100.0
81.07059	39.0
83.04987	50.6
83.08624	34.8
83.09124	2.0
85.02901	2.7
85.06556	2.6
91.05489	31.4
93.07059	14.3
95.04972	31.0
95.05560	1.9
95.08610	12.7
97.02899	4.0
97.06519	4.1
97.10177	7.7
99.08070	1.8
105.07041	24.4
107.04979	7.3
107.08633	8.1
109.06515	6.5
109.10166	2.5
111.04436	3.5
111.08099	10.2
115.05479	2.8
117.07063	1.3
119.04885	1.3
119.08591	17.6
121.06543	2.5
121.10155	9.0
123.08096	3.3
125.09600	1.6
128.06270	1.1
129.07013	11.7
131.08569	11.7
133.06509	3.7
133.10120	10.4
135.11757	1.3
137.09662	2.8
142.07790	4.3
145.10173	1.7
147.08072	5.2
147.11702	12.7
148.12088	1.0
149.09653	6.3
149.10796	0.9
155.08548	1.7
157.10147	17.6
165.12764	2.2
169.10172	2.4
175.11185	16.1
176.11475	1.4
181.10106	1.3
193.12250	35.3
194.12711	1.1
196.12537	1.9
201.30400	1.1
211.11154	2.5
211.13287	15.4
211.14929	5.3
212.09041	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	211.1331
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.02397	1.1
53.03948	4.4
55.01866	5.9
55.05518	43.6
57.03444	6.8
63.51120	0.9
65.03943	1.1
67.05512	29.5
68.80677	1.0
69.03432	10.3
69.07076	10.3
70.42942	3.0
71.04999	4.4
71.73170	1.0
73.02903	1.1
76.00053	1.0
78.36929	1.0
79.05500	35.5
80.05833	1.0
81.03425	100.0
81.07063	36.4
83.04990	49.2
83.08626	32.9
84.05305	1.4
85.06554	3.9
91.05487	35.1
92.05816	1.1
93.07050	17.7
95.04980	36.1
95.08614	14.4
97.02908	3.5
97.06551	6.0
97.10187	9.3
99.04507	1.4
99.08092	1.5
102.94450	1.0
105.04499	1.5
105.07041	23.4
106.07381	1.3
107.04968	7.7
107.08601	7.4
109.06520	5.8
109.10164	2.6
111.04470	1.9
111.08081	12.9
111.92973	1.0
115.05424	1.3
117.06994	1.2
119.08593	21.9
121.06549	2.6
121.10136	8.2
123.08079	2.9
125.09653	2.5
129.07008	12.8
129.07784	1.3
130.70352	1.1
131.08594	12.9
133.06551	3.3
133.10147	10.4
135.08130	1.0
137.09685	3.5
142.07809	4.1
145.10143	2.1
147.08078	4.2
147.11696	14.2
149.09601	7.7
157.10120	16.2
163.11322	1.2
165.12805	2.3
169.10147	1.3
175.11171	17.4
182.10709	1.2
193.12248	33.1
194.12764	1.2
196.12514	1.7
202.59232	1.1
211.11354	1.7
211.13200	12.0
211.14845	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05511	7.0
57.03437	2.6
57.07071	1.5
59.04991	1.1
64.58979	0.8
67.05493	7.5
69.03425	2.5
69.07071	13.8
71.04995	52.8
75.30820	1.0
79.05502	5.6
80.05011	1.3
81.03427	8.0
81.07056	12.2
83.04984	3.3
83.08617	4.3
85.06567	4.2
91.05484	5.6
93.07034	10.9
95.04953	3.0
95.08607	24.5
97.06530	6.8
97.10163	1.0
99.04456	100.0
100.04855	1.0
105.07034	5.2
107.08593	15.0
107.09286	1.2
109.06497	1.4
109.10152	12.9
111.08092	2.0
113.05984	1.1
113.09645	15.1
115.07572	6.1
117.86594	0.8
119.08589	8.0
121.10152	5.4
123.04464	2.4
123.08120	2.5
123.11694	5.7
125.09582	4.6
133.10112	7.4
135.11691	35.8
136.12045	0.9
137.09651	1.5
139.11166	3.1
141.09113	2.4
141.12749	5.1
147.11621	2.1
149.13318	2.0
151.11217	1.3
151.14827	7.1
153.06989	1.1
153.12724	2.4
155.08556	3.4
167.08528	1.4
169.10143	5.7
169.15921	1.8
175.14853	6.2
181.10178	2.1
183.11794	2.1
193.12238	2.0
193.15894	5.0
196.12473	2.1
211.11411	1.5
211.13257	1.3
211.14864	8.1
211.16957	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05512	15.0
57.07074	4.8
59.04996	2.3
67.05508	33.2
69.03423	11.4
69.07074	19.7
70.60656	2.3
71.04988	4.8
77.20878	1.5
79.05493	5.9
80.05006	1.5
81.03423	5.4
81.07063	37.3
83.04987	14.2
83.08620	8.4
85.06555	6.0
87.08081	1.6
90.44079	1.3
91.05477	8.3
93.07059	14.7
95.04967	4.6
95.08612	42.2
97.06532	2.5
97.10167	3.4
97.44988	1.4
99.08097	5.3
105.07027	9.5
105.89928	1.6
107.07875	2.0
107.08592	29.9
109.06525	13.9
109.10160	100.0
110.10519	2.5
111.08120	5.1
113.09650	2.5
119.08586	23.5
121.10145	11.3
123.08080	15.4
123.10971	2.0
123.11727	10.4
125.09634	1.7
133.10132	19.9
135.11694	69.1
136.11990	1.9
137.09613	17.6
139.11238	3.1
147.11676	2.8
149.13278	4.5
151.11183	11.1
151.14859	9.5
153.12782	2.9
165.16360	2.3
175.14833	19.7
193.12192	1.8
193.15950	14.4
211.03925	2.6
211.14946	2.5
232.33214	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.01864	2.6
55.05523	7.6
57.03418	3.8
57.07070	1.5
59.04984	1.8
59.07933	1.1
65.03925	2.5
67.05502	12.0
69.03413	3.7
69.07065	12.2
71.04995	46.1
79.05489	18.8
80.05015	2.0
81.03409	3.1
81.07060	23.3
83.04966	6.7
83.08615	4.7
85.06526	10.1
87.08104	4.8
91.05479	14.8
93.07040	19.5
95.04955	6.4
95.08611	21.9
97.06502	4.2
98.23351	4.0
99.04481	3.5
99.08096	8.3
103.05458	2.1
103.16774	1.2
105.07035	45.1
107.08598	100.0
109.06505	5.7
109.10166	20.1
111.08076	4.4
113.09698	1.5
117.07040	1.2
119.06062	2.3
119.08586	15.7
121.06447	1.5
121.10144	6.9
123.04395	2.2
123.08073	5.3
123.11705	6.6
125.09632	11.4
127.07503	1.8
131.08524	1.5
133.06436	2.3
133.10126	12.7
135.11699	37.0
136.12025	1.4
137.06006	1.7
137.09602	6.8
139.07481	2.4
141.12781	2.2
142.50792	1.3
147.11694	4.8
149.13243	3.3
151.03880	1.3
151.07530	2.9
151.09712	1.2
151.11159	4.0
153.12733	9.7
155.10681	3.3
165.12732	2.7
165.16170	1.4
167.07057	4.3
167.08492	1.5
169.10219	2.2
175.14844	26.0
176.15123	1.4
176.52437	1.2
179.07056	3.1
183.11671	1.8
193.08568	1.8
193.15883	16.0
194.08054	2.2
211.09552	7.6
211.11363	2.3
211.14793	4.0
211.16902	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	7.6
55.01872	7.5
55.05515	37.9
56.96572	6.5
57.03432	11.1
57.07084	9.5
59.05000	14.4
61.95457	3.5
67.05499	31.1
69.03421	11.7
69.07068	41.5
71.04993	80.0
71.29083	6.4
79.05482	24.3
80.05021	9.5
81.03414	39.4
81.07062	72.2
83.04977	21.5
83.08625	33.1
85.06562	10.4
91.05481	23.3
93.07048	56.4
95.04974	19.6
95.08601	71.4
97.06530	34.2
97.10182	10.8
98.06023	6.3
99.04403	8.3
99.08080	22.3
105.07031	33.8
105.39957	3.6
107.08600	46.8
109.06539	13.6
109.10160	31.3
111.08076	13.0
113.09656	3.7
115.07592	18.4
119.08582	50.0
121.10155	16.6
123.08074	12.6
123.11704	67.7
125.09642	11.6
127.07568	4.3
129.07034	6.2
133.10138	47.5
135.11690	100.0
137.09653	10.3
137.13281	7.6
141.12727	7.6
147.08009	4.4
147.11713	16.0
149.13248	7.4
151.11229	7.4
153.12743	21.8
155.08521	6.7
155.10648	4.6
157.10149	5.9
165.12752	7.4
169.10124	11.3
175.11235	9.2
175.14828	51.5
181.10196	5.3
193.12234	18.0
193.15919	16.2
196.12434	5.8
211.07439	9.0
211.11111	7.9
211.13165	10.5
211.14845	13.6
211.16959	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.13743	2.8
53.03960	6.7
55.01871	9.1
55.05518	31.4
56.96568	28.3
57.03441	11.3
57.07074	10.1
59.05000	21.0
65.03939	8.3
67.05513	36.4
67.75153	3.2
68.05054	4.1
69.03426	17.3
69.07072	38.5
69.49210	2.9
70.06605	3.9
70.98132	20.5
71.05000	73.9
71.31259	4.1
79.05493	39.6
80.05025	8.6
81.03429	28.7
81.07061	68.9
83.04986	28.2
83.08624	31.6
85.06552	17.9
88.99169	9.0
91.05487	49.4
93.07049	64.8
94.06573	6.5
95.04996	23.4
95.08617	70.8
97.06525	38.0
97.10178	6.4
99.04454	21.4
99.08100	14.1
105.07047	35.3
107.04950	5.5
107.08610	62.4
109.06534	13.5
109.07667	4.1
109.10165	45.3
111.04474	8.9
111.08073	15.7
113.09652	4.1
115.07588	15.4
119.04955	8.6
119.06079	4.3
119.08579	48.8
120.08067	2.9
121.06513	4.0
121.10169	26.6
123.04469	9.9
123.08082	20.8
123.11715	74.3
125.09653	11.9
127.07579	7.1
129.06995	7.6
131.08583	5.6
133.06522	5.4
133.10129	57.6
135.11699	100.0
135.12698	6.6
137.04742	5.3
137.05971	5.9
137.09656	16.2
137.13287	6.2
139.03932	8.7
141.05522	3.3
141.09113	3.4
141.12747	11.6
147.08086	5.2
147.11723	12.9
149.05988	4.0
149.13283	12.4
151.03896	4.0
151.06372	3.8
151.07555	8.6
151.11208	7.2
151.83939	3.1
152.07082	80.2
153.05496	9.5
153.07156	3.9
153.12746	29.2
154.67703	3.1
155.08580	5.1
155.10672	4.5
157.10146	3.6
165.09114	6.2
165.12817	4.7
166.08673	19.5
167.07100	9.7
168.09412	4.0
169.10152	5.8
175.11246	7.8
175.14836	68.9
179.07088	9.9
181.10097	6.3
193.08546	4.8
193.10179	4.5
193.12265	13.5
193.15958	17.0
194.08157	54.5
196.08957	7.5
200.18236	3.1
205.98845	3.2
211.07613	4.5
211.09386	3.9
211.11150	14.3
211.13239	9.1
211.14912	10.9
211.16960	53.3
212.09135	6.2
212.12032	4.1
212.14291	4.2
212.16396	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	212.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	0.5
55.05491	0.3
63.52816	0.4
67.04250	0.5
68.05032	4.8
69.97214	1.3
70.06590	3.1
80.05006	0.8
81.04536	2.0
82.06576	0.8
83.06103	3.2
95.06091	5.7
96.06876	27.5
97.07681	2.8
107.06071	2.1
109.07643	100.0
110.03291	0.3
110.07317	0.4
110.08003	1.5
112.03958	0.8
116.07066	0.6
119.42837	0.3
119.67197	0.4
124.08714	19.5
125.07142	2.0
126.10271	7.8
135.05498	3.0
148.08678	0.8
149.46745	0.3
150.10257	1.5
151.08627	0.5
152.07080	0.4
153.06593	14.9
166.08565	0.3
166.09773	8.2
168.11337	9.6
170.09253	14.0
194.07910	0.4
194.09322	4.5
212.10315	55.2
212.85118	0.4
213.10562	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	212.103
Annotation	N-Acetyl-1-methyl-L-histidine
Peak:m/z	Relative Intensity
54.02917	0.2
55.41460	0.2
56.05042	0.2
64.21872	0.2
67.04240	0.7
68.05026	5.0
69.49309	1.2
72.80524	0.2
80.05014	0.4
81.04519	1.8
82.06152	0.3
82.06580	1.3
83.06106	2.8
88.06046	0.2
94.93024	0.3
95.06099	5.0
96.06876	27.8
97.07676	2.5
98.22711	0.3
107.06081	2.2
109.07643	100.0
110.07983	1.2
112.03967	0.5
113.43976	0.2
116.19736	0.2
123.09222	0.3
124.08721	8.4
125.07118	2.0
126.09361	0.5
126.10282	7.6
130.94617	0.3
135.05521	2.1
139.08595	0.2
150.10275	1.7
151.08656	0.3
151.87671	0.3
153.06592	15.6
154.07115	0.4
164.64973	0.2
166.09784	5.1
168.09888	0.4
168.11337	8.3
170.09256	11.7
194.09248	4.6
212.10301	50.6
212.85202	1.2
213.10591	1.2
232.08157	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	212.1645
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
50.71445	0.6
55.01874	0.4
55.05508	3.0
56.05028	0.5
60.40735	0.3
65.13870	0.3
67.05505	2.7
68.05025	2.0
69.07065	1.1
70.06592	4.4
71.04992	0.4
79.05509	1.7
80.05022	3.2
80.05835	0.3
80.95769	0.3
81.05814	0.4
81.07056	2.3
82.06571	1.4
83.07355	3.0
83.08621	1.3
84.08142	4.8
86.06081	0.5
91.05498	1.6
92.05002	0.9
93.07040	2.1
94.06578	0.5
95.04995	0.4
95.08624	1.5
96.08130	16.4
97.06577	0.4
98.06084	0.7
98.22553	0.5
99.34428	0.3
100.07672	0.4
100.62988	0.3
103.05455	0.6
105.07035	1.0
106.06554	0.8
107.04948	2.1
107.08609	1.5
108.08148	0.7
109.06553	0.4
109.07642	1.2
109.08904	1.6
109.10159	0.9
110.06064	2.0
110.06732	0.4
110.09669	1.6
111.08082	0.4
112.07681	0.3
117.06995	0.6
119.08594	0.5
120.04474	5.9
120.08146	0.6
121.10129	0.8
123.04436	0.3
123.08080	0.4
124.08660	0.4
124.11211	0.7
131.08565	0.7
133.10149	0.4
134.05980	0.5
135.08066	0.9
138.09180	0.4
138.12733	0.4
148.07607	0.4
148.11198	0.6
149.09628	0.6
150.12764	0.5
152.07097	0.7
153.01823	0.7
153.06544	0.4
163.07568	0.9
166.08588	0.7
166.15921	4.8
167.05832	0.4
167.07088	3.4
176.14355	1.6
177.09171	1.4
194.08098	0.8
194.15408	78.7
195.10126	0.7
195.15735	2.1
212.09184	1.4
212.16454	100.0
213.11174	1.0
213.16779	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	213.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43598	2.5
63.92403	2.5
65.80629	2.0
66.03079	1.9
70.22221	7.0
70.47231	2.6
70.99697	2.0
84.08120	2.1
109.53230	2.2
110.07121	3.3
121.02545	2.4
152.42644	2.2
163.18669	2.2
175.07080	2.4
186.20914	2.2
196.04877	23.0
212.84219	100.0
213.07454	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0749
Annotation	GEIR-1
Peak:m/z	Relative Intensity
51.31833	13.8
57.02132	13.8
70.66108	27.0
85.07534	15.9
147.81934	14.4
158.78441	15.1
196.04803	100.0
212.85176	58.8
213.07497	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
50.56833	0.5
53.03944	1.3
54.43551	0.5
55.01869	2.9
55.05494	1.5
57.07048	0.6
59.70208	0.5
65.03925	3.8
67.05496	1.0
70.06591	1.3
70.99132	0.5
71.01357	0.7
71.30639	0.6
73.02921	23.4
74.06442	0.5
78.04726	0.7
79.05501	3.5
81.03423	1.5
83.04971	2.1
85.06533	0.7
88.07629	1.1
91.05482	1.2
93.03391	1.1
93.07047	1.5
95.04964	2.3
96.02094	0.7
106.04170	0.7
107.04952	15.7
107.08535	0.7
109.02904	5.3
109.03603	1.0
110.03642	0.7
111.04431	1.7
112.13145	0.6
121.02865	1.5
121.06504	0.7
123.04437	3.7
125.02358	3.7
125.05987	1.5
126.03110	3.0
133.02852	0.8
135.04434	6.4
135.09138	0.7
137.05997	0.8
139.03947	1.0
140.04684	17.6
141.05464	21.5
142.07808	0.6
145.03909	0.8
148.97386	0.9
151.03915	3.2
151.04919	0.6
152.04660	0.8
153.01862	3.5
153.05502	1.6
153.68596	0.5
154.04895	0.5
155.07027	10.6
157.04970	11.4
157.10129	1.2
163.03882	10.7
165.05490	3.8
167.03397	100.0
167.04427	4.1
167.07037	21.6
168.03745	1.7
173.08041	0.9
181.04990	2.1
185.04459	0.8
185.07213	1.3
186.05464	0.6
195.06564	23.2
211.83879	0.6
213.05502	1.9
213.07558	8.4
213.12535	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	213.0758
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
51.02383	0.8
51.55402	0.5
53.03953	2.5
53.12867	0.5
55.01870	1.7
56.17170	0.6
61.02930	6.9
65.03945	6.7
67.05502	2.2
69.34029	2.5
70.06605	0.6
71.91879	0.5
72.02178	0.5
77.03915	1.0
78.04696	2.6
79.01852	0.8
79.05497	23.5
80.04977	0.6
81.07068	0.7
89.03925	0.9
89.80589	0.5
91.05482	7.1
93.03411	6.8
93.07041	1.2
94.04209	0.8
95.04433	0.8
95.04980	5.7
95.42050	0.5
96.05772	0.5
97.06532	0.5
98.22619	1.1
103.05476	7.7
105.03400	1.4
105.04521	1.5
105.07039	5.5
106.04173	1.7
107.04959	79.9
107.08607	1.3
108.02122	2.6
108.05286	1.3
109.02897	0.9
109.06546	1.1
110.03667	20.3
110.74203	0.5
111.04458	8.1
114.09204	1.5
115.05505	3.8
117.03381	1.6
117.07034	1.3
119.04928	0.9
120.05764	1.5
121.06518	10.3
122.03649	4.6
123.04437	6.0
124.05233	4.0
125.05998	50.0
131.04932	2.1
133.02855	10.8
134.03632	1.9
135.04424	21.8
135.08052	12.4
137.05983	5.0
139.03914	1.4
140.04713	0.7
141.05460	2.4
143.03387	0.7
143.06972	0.6
145.07623	1.4
147.04436	1.1
149.02365	0.6
149.05980	17.2
150.03110	7.3
150.06401	0.7
151.03923	75.9
151.05029	9.5
152.04601	2.4
153.00673	1.2
153.01842	13.0
153.02933	0.9
153.05457	12.2
154.06248	2.5
162.03177	1.2
163.03928	6.8
163.07542	21.8
164.08073	0.6
165.05486	31.1
167.03424	2.7
167.07045	100.0
168.07399	2.1
177.05472	15.0
180.07849	2.4
181.04964	1.4
185.07184	1.3
195.06546	9.4
195.10164	12.2
213.07750	3.4
213.11250	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.6
61.12019	0.6
65.07884	0.6
70.06591	3.2
77.03973	0.6
78.04709	3.1
79.05501	12.0
81.07051	0.9
91.05475	4.7
91.58589	0.6
92.06304	0.6
93.07069	0.9
95.04955	2.9
98.23354	1.6
103.05462	7.7
104.67773	0.5
105.03333	0.8
105.07030	6.8
106.04175	2.4
107.04961	56.9
107.08592	2.3
108.05310	1.0
109.06538	0.9
111.04424	0.7
115.05464	4.4
117.07023	2.2
119.04945	0.9
120.05704	2.4
121.06528	0.9
121.10111	0.8
122.03607	1.1
123.04421	5.1
124.05215	3.4
125.05993	0.8
131.04921	2.4
135.07086	1.3
135.08066	15.9
137.05978	1.5
145.07600	1.6
147.04376	1.4
149.05978	1.1
149.09581	1.8
151.03922	2.3
152.04730	1.7
153.01698	0.7
154.06267	1.9
163.07561	24.1
164.07950	0.9
167.07045	100.0
168.07411	2.9
177.09143	2.3
180.07797	2.6
182.81763	0.6
195.10202	13.6
195.15797	1.7
213.11115	3.9
213.16753	1.9
232.71201	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	213.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
53.60789	0.4
55.01867	1.3
57.03452	0.6
58.41028	0.3
65.03961	0.8
65.78093	0.4
67.05512	1.2
69.03426	1.0
69.07062	0.5
69.89710	1.4
70.06603	2.3
72.08160	2.3
78.04716	2.8
79.05063	0.8
79.05497	9.9
81.03428	0.6
81.07056	1.4
83.04980	0.6
86.09715	4.8
88.07640	0.7
91.05478	5.9
93.03384	0.5
93.07041	1.4
95.04964	3.0
97.06520	0.4
102.35780	0.3
103.05473	10.6
105.03397	0.7
105.04528	0.9
105.07031	6.8
105.07687	0.7
106.04167	1.7
107.04959	64.0
107.08593	2.5
108.05291	1.0
109.02901	0.7
109.06503	1.1
110.03655	0.9
111.04424	0.9
111.08105	0.6
115.05453	4.3
116.07068	0.5
117.07018	1.5
119.04937	1.0
119.08578	0.8
120.05731	2.2
121.06515	1.2
121.10161	0.7
122.03674	0.9
123.04437	7.1
124.05235	4.0
125.05996	1.7
127.03869	0.5
131.04936	2.2
131.08568	0.6
133.02876	0.5
133.06491	1.2
134.03642	1.0
135.04445	0.8
135.08061	15.9
136.08452	0.6
137.05974	2.0
139.03908	0.8
140.04749	0.6
145.06534	0.6
145.07556	2.1
147.04402	1.6
149.05978	1.1
149.09627	1.4
149.60622	0.4
151.03908	2.7
152.04698	2.9
153.01843	1.1
153.05331	0.6
154.06281	2.1
155.07047	0.4
163.07550	25.5
164.08054	0.5
165.05531	1.1
167.07045	100.0
168.07407	2.6
177.09120	1.0
180.07838	4.0
181.08614	0.8
185.07147	1.0
195.10173	13.8
195.15779	0.7
213.11073	2.5
213.12923	0.9
213.16669	0.7
214.10864	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03931	6.7
55.01855	3.3
55.05514	23.7
57.03437	23.1
57.07058	5.2
59.02311	3.3
60.86769	3.4
67.05508	89.3
69.07069	24.9
70.06586	11.0
71.01357	8.4
71.04997	9.1
71.29355	3.2
79.05492	68.3
81.03419	9.4
81.07063	38.4
83.04984	22.3
83.08629	7.6
85.06540	10.7
86.19353	3.4
88.07636	13.3
88.36725	3.5
91.05473	25.9
93.07047	81.2
93.44956	3.7
95.04969	6.1
95.08603	6.4
97.06529	18.8
97.10175	6.9
99.08077	5.7
105.04523	4.3
105.07069	8.1
107.04934	3.6
107.08590	49.2
109.10159	11.0
117.06953	6.7
119.07825	3.7
119.08606	14.2
121.06480	5.0
121.10124	19.1
129.07022	4.7
133.10104	6.1
135.09212	3.9
135.11693	100.0
137.09628	4.0
143.08560	4.2
145.10104	29.8
157.10161	4.5
163.11186	13.7
171.11725	7.8
181.12256	14.4
185.07176	3.5
195.11328	5.6
213.12308	10.3
213.16490	15.6
214.21646	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03943	2.5
55.01873	15.7
55.05513	85.1
57.03442	1.6
57.07059	1.5
59.05016	2.9
61.01163	1.2
67.05508	29.7
69.03436	10.4
69.06804	1.4
69.07077	16.1
69.39738	6.7
69.40157	2.2
70.06582	3.1
71.04996	72.9
79.05496	24.2
81.03412	3.1
81.07058	37.1
83.04978	5.6
83.08618	45.0
83.56728	1.3
85.06549	7.8
87.04468	9.9
91.05469	7.1
93.07051	20.4
95.04945	1.8
95.08615	14.0
97.06537	100.0
97.10175	65.8
98.06851	2.3
101.06045	2.0
101.09640	1.9
105.07037	4.8
106.05068	1.3
106.99774	1.2
107.08584	25.1
109.06541	2.6
109.10165	15.3
111.08077	5.7
117.07005	5.8
119.08534	2.1
121.06479	3.2
121.10139	4.0
125.08743	2.4
125.09636	43.2
127.03854	1.4
131.08559	5.0
133.10112	3.8
135.08060	5.4
135.11700	6.0
149.09608	1.7
149.13251	3.8
153.09108	3.1
159.11714	6.4
168.08069	3.0
177.12729	7.7
189.11252	7.6
195.13818	45.0
213.14853	99.7
214.15193	2.7
219.00865	1.3
224.49786	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03942	4.7
55.01871	4.4
55.05515	28.7
57.03424	7.1
58.22686	2.3
63.62952	2.5
63.82544	2.1
64.99512	2.2
65.03935	3.2
67.05508	78.6
69.03446	3.5
69.07074	24.6
69.45435	11.4
70.06598	8.5
71.04986	5.6
77.96332	2.2
79.05143	2.0
79.05496	51.5
81.03397	3.0
81.07060	100.0
83.05000	11.0
83.08618	20.7
85.06551	7.6
88.07626	7.6
88.55389	2.1
91.05479	27.8
92.04991	2.7
93.06469	4.7
93.07044	67.9
95.04952	6.1
95.08611	27.2
97.06551	16.4
99.08085	4.8
102.56251	2.1
105.07044	8.8
107.08602	35.4
109.10104	4.7
111.08074	8.2
115.05495	2.6
117.07021	17.7
119.08566	8.8
121.06502	7.4
121.10126	14.4
123.08076	2.3
123.11728	4.7
129.06998	7.6
131.08589	14.9
133.10153	23.3
135.08119	2.4
135.11691	19.7
142.07794	3.7
143.08562	7.9
145.10172	10.6
147.11688	3.0
149.13249	31.9
151.11172	2.5
157.10124	9.6
159.11688	14.6
171.11714	10.2
177.12726	7.2
185.13217	4.1
195.13803	7.4
213.05229	6.2
213.08813	2.8
213.12709	13.3
213.16373	18.2
214.08446	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	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03947	2.8
55.01875	19.0
55.05515	86.4
57.03417	3.2
57.07076	4.0
59.05001	3.3
61.64644	1.8
62.72293	1.6
67.05506	38.2
69.03436	8.9
69.07075	28.3
71.04998	84.7
71.28242	2.9
72.64848	1.7
74.63466	1.5
79.05502	25.2
81.03413	2.1
81.07061	47.5
83.04983	10.3
83.08155	3.5
83.08624	57.0
85.06547	8.5
85.10194	3.7
87.04469	9.9
91.05478	10.7
93.07047	31.0
95.05003	2.3
95.08623	27.5
97.06535	94.3
97.10175	66.3
99.08098	2.2
105.06990	7.2
107.08594	27.7
109.06506	4.4
109.10167	18.2
110.15537	1.8
110.53490	1.8
111.04426	1.8
111.08068	5.7
113.06048	2.4
113.09654	3.2
117.06985	7.0
119.08585	3.4
121.06518	4.8
121.10135	4.4
123.08054	1.6
123.11645	2.0
125.09647	39.3
126.10000	1.9
127.03970	2.1
128.06189	2.1
129.07039	2.4
131.08559	7.0
133.10094	6.4
135.08009	5.4
135.11679	18.0
142.07794	2.5
143.08524	5.8
145.10155	1.8
147.11584	2.7
149.09566	2.2
149.13235	12.4
153.09050	3.7
153.12740	6.1
157.10098	8.3
159.11618	10.7
171.08047	2.9
171.11659	3.6
172.08910	2.1
177.12729	9.6
185.09645	3.3
189.11230	8.5
195.11862	3.3
195.13823	46.6
198.09027	8.5
213.12769	10.2
213.14810	100.0
213.16446	4.8
213.67033	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.45512	1.4
51.93994	1.2
53.03934	4.1
55.01861	3.7
55.05512	24.1
56.70699	1.2
57.03440	7.8
57.07066	5.7
65.03938	2.6
67.05508	67.9
69.03405	1.3
69.07069	33.5
69.44978	7.3
71.04990	5.4
79.05497	42.8
81.03413	2.0
81.07057	100.0
82.07388	2.1
83.04987	7.9
83.08628	20.2
85.06549	3.8
88.07636	2.7
91.05488	23.7
93.07046	61.5
95.04972	4.4
95.08606	25.3
97.06538	14.2
97.10183	4.7
98.23385	3.0
99.08099	2.0
105.07014	8.4
107.08594	29.4
109.06510	2.1
109.10155	3.9
111.08096	7.8
113.06021	1.9
117.07037	8.9
119.08626	1.7
121.06525	2.9
121.10142	13.5
123.11707	3.9
129.06955	1.7
131.08565	11.8
133.10135	16.1
135.11673	14.4
143.08528	2.0
147.11673	1.5
149.13258	33.2
150.13548	1.9
157.10168	3.6
159.11685	16.4
177.12709	7.3
195.13831	6.1
203.28072	1.4
213.12891	2.5
213.16438	4.8
214.10645	1.6
225.30273	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03962	1.3
53.98023	1.0
55.01872	3.8
55.05513	11.3
55.81702	0.9
56.75445	0.8
57.07071	3.0
59.46680	1.0
60.42105	0.9
65.99802	0.9
67.05514	6.6
69.03425	2.7
69.07066	19.9
70.02741	0.8
70.06581	5.1
71.04991	5.8
79.05495	8.0
81.07061	21.6
82.07370	0.9
83.08615	10.2
85.06539	6.0
91.05467	4.5
93.07048	17.9
95.04990	1.8
95.08611	40.5
96.05304	0.9
96.08909	0.9
97.06578	1.7
97.10173	9.6
97.75184	0.9
99.08097	39.0
105.07063	6.0
107.08599	42.1
107.23998	1.0
107.62363	0.8
108.08956	1.1
109.10161	8.2
111.08087	19.3
111.08855	0.9
113.09650	2.6
113.51055	0.8
119.08601	2.6
121.10146	68.2
122.10522	1.5
123.11719	2.9
125.09631	7.1
125.13247	0.9
131.08646	1.1
135.11705	15.5
137.13252	10.3
139.11192	1.2
142.07770	1.9
143.08530	4.3
149.13278	5.4
155.08559	1.3
156.09315	2.1
157.10155	3.5
171.11748	3.1
177.16396	100.0
178.00658	1.0
178.16751	4.2
185.09607	1.0
185.13394	1.4
195.17450	15.6
213.12825	4.4
213.16429	6.9
213.18546	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.1
55.05508	1.3
59.04999	1.2
61.66294	0.4
63.71948	0.4
67.05506	1.0
69.07071	36.9
69.20881	1.4
69.21297	2.1
70.07407	0.8
72.04520	10.5
73.06554	3.1
74.09700	0.6
81.07046	0.9
81.09628	0.5
82.02936	1.8
84.04501	1.7
86.09711	4.6
91.05473	0.7
95.08620	1.2
97.06544	1.5
98.06099	0.9
100.03982	100.0
101.04323	1.2
105.07028	0.6
106.72075	0.4
112.03954	1.8
115.07562	4.9
117.07070	0.5
119.08601	0.4
126.05509	1.7
126.09152	1.2
130.12268	0.5
145.10172	1.0
150.96889	0.8
152.61295	0.5
153.33911	0.4
159.11705	0.7
160.56033	0.5
168.10208	24.3
169.10542	0.7
173.09590	0.7
197.13226	0.5
214.10805	4.3
214.21658	1.1
214.25221	0.6
215.07053	0.8
215.10764	0.7
215.14307	1.5
215.18086	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	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65067	1.0
53.03939	2.3
55.05514	51.1
56.05855	1.1
57.03422	3.1
57.07061	1.6
58.71162	0.9
67.05506	32.2
69.07071	48.0
69.74280	4.1
70.06593	18.2
71.05005	6.0
71.06929	9.9
73.06557	3.0
79.05496	12.5
81.07060	75.3
82.07374	1.1
83.04980	5.0
83.08620	43.3
84.08949	1.2
85.06557	6.1
87.04435	1.3
87.18185	1.0
91.05484	15.9
93.07050	18.6
93.88540	0.9
95.04976	1.5
95.08611	100.0
96.08939	1.9
97.06517	13.7
97.09539	1.5
97.10166	16.2
98.23387	1.1
99.08080	2.8
101.06001	3.2
105.06379	1.5
105.07040	18.4
107.08582	8.3
107.11105	1.0
108.47788	1.0
109.06524	3.8
109.10168	9.5
111.08094	4.5
115.07577	3.9
116.07053	1.5
117.07463	1.5
119.07784	1.9
119.08589	29.9
121.10136	7.9
123.08073	8.8
127.07517	1.6
133.10143	18.6
135.11703	13.8
137.09613	5.7
137.13255	19.2
138.13596	1.1
141.09109	2.5
149.13315	1.1
149.26962	1.1
159.18553	1.1
161.13266	42.3
162.13568	1.2
179.14337	10.2
196.17010	15.8
212.69930	1.1
214.10664	2.1
214.12598	4.1
214.18027	55.2
214.52679	1.1
215.10609	1.2
215.14331	2.0
215.18246	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	215.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	3.6
59.50801	2.7
69.93842	9.4
70.06213	3.5
70.06595	66.2
72.04519	5.2
72.08158	77.3
84.04503	12.9
97.66465	2.8
98.23242	4.8
100.03986	5.8
102.76292	2.9
103.14899	2.8
116.06322	6.0
116.07098	74.2
122.57982	2.6
128.07100	3.6
129.78740	2.7
130.05026	7.7
131.98544	3.1
137.07141	8.4
155.87263	2.8
156.06612	3.5
173.09203	6.5
179.08028	3.5
193.68445	3.2
198.07899	2.7
203.43651	2.7
215.01637	100.0
215.10416	3.2
215.13913	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45299	0.4
69.16278	2.4
70.06595	67.3
72.04517	4.4
72.08145	2.2
76.24691	0.4
84.04546	0.3
98.06146	0.5
100.03977	6.4
116.07095	100.0
117.07426	1.2
127.08697	1.2
156.06548	1.1
173.09235	9.2
197.09196	0.7
215.10529	0.4
215.13924	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	215.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45299	0.4
69.16278	2.4
70.06595	67.3
72.04517	4.4
72.08145	2.2
76.24691	0.4
84.04546	0.3
98.06146	0.5
100.03977	6.4
116.07095	100.0
117.07426	1.2
127.08697	1.2
156.06548	1.1
173.09235	9.2
197.09196	0.7
215.10529	0.4
215.13924	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	215.1643
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05513	29.8
57.03445	5.2
57.07089	4.3
63.08694	2.3
67.05506	36.6
69.07066	25.0
69.42241	15.0
71.04996	10.7
79.05486	22.1
81.07061	82.4
83.05001	4.6
83.08617	20.4
85.06560	15.3
86.35007	2.6
91.05472	25.3
93.07040	28.1
95.04941	2.7
95.08609	100.0
97.06526	26.5
97.10155	13.1
99.08105	9.9
103.42752	2.8
105.07046	29.9
107.08603	13.1
109.10114	5.9
111.08109	4.6
117.06939	3.6
119.08588	51.5
121.10165	10.3
123.08095	7.9
131.08560	5.0
133.10130	31.8
135.11688	18.3
137.07127	3.6
137.13258	13.7
140.67529	2.7
143.08563	3.4
145.10158	8.9
159.11682	4.1
161.13272	64.6
179.14273	20.2
187.11246	5.9
197.15356	5.6
215.10611	7.4
215.14340	13.2
215.17953	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	216.1595
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
53.20599	0.3
55.01876	0.9
55.05513	3.0
57.07076	1.5
62.68754	0.3
66.77305	0.3
69.03428	1.8
70.31256	0.9
73.02927	0.8
73.77202	0.3
83.04976	3.7
83.08625	0.4
85.02906	7.4
85.06554	0.4
86.06078	0.9
86.09707	100.0
87.10045	1.4
89.06020	1.1
97.02885	4.1
98.23302	0.4
99.04430	0.4
101.06004	1.6
105.06994	0.4
105.44896	0.3
109.46163	0.3
111.04439	5.5
113.06026	0.6
115.03923	0.4
116.10713	1.1
119.08596	0.5
127.07562	0.6
128.10716	49.0
129.05481	1.0
129.11052	0.9
131.08539	0.4
133.10080	0.3
138.57465	0.3
142.12268	0.6
142.45811	0.3
145.10120	0.4
155.07025	6.6
157.04950	0.5
157.10136	0.4
170.11765	42.7
171.12027	1.3
173.06682	0.5
173.08090	3.6
174.14896	6.7
199.09715	0.4
200.08456	0.4
216.15948	1.3
216.17979	0.3
217.10692	3.1
217.15910	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	217.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01869	0.7
55.05515	8.9
57.03439	1.0
57.07065	0.7
61.79733	0.6
67.05520	1.2
69.03431	24.1
69.14467	5.4
69.15385	0.6
73.02940	1.0
81.90480	0.5
83.04978	10.6
85.02908	100.0
85.06551	1.1
86.03236	1.3
87.04491	1.5
89.02391	1.3
89.06058	1.3
97.02895	47.5
99.04455	0.6
101.06037	3.7
107.08623	0.9
111.04450	14.7
113.06035	1.9
115.03930	8.0
119.08560	0.8
121.06526	0.8
127.03932	3.8
127.07547	1.6
129.05511	1.7
129.06950	0.7
133.10139	1.2
135.08069	2.1
144.10587	0.7
147.08026	1.1
155.07034	21.0
157.04964	3.5
161.09621	8.4
173.08115	11.1
173.52773	0.7
175.11197	2.0
192.37646	0.7
199.09622	0.9
205.64651	0.6
215.89584	0.7
217.10744	10.5
217.15846	4.7
218.21262	1.0
236.56943	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	217.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46574	0.6
53.03944	1.0
55.01874	1.9
55.05511	31.9
57.03432	1.7
59.04995	2.8
59.95443	0.7
61.02913	0.9
65.03944	0.9
67.05501	3.8
69.03429	31.3
69.05161	5.7
69.07072	1.7
71.01347	0.8
73.02917	2.9
74.86864	0.6
79.05493	1.2
79.20198	0.6
81.07070	1.5
83.04984	49.0
83.08606	2.6
83.88430	0.6
85.02905	100.0
85.06548	3.3
86.03215	1.2
86.09700	10.9
87.04478	5.7
87.10038	6.7
89.02396	5.0
89.06035	7.4
91.05482	1.8
93.03384	0.9
93.07066	1.7
95.08595	1.6
97.02893	54.3
99.04461	3.0
101.06019	19.0
102.73795	0.6
102.74562	0.7
105.07016	3.1
107.08588	1.9
109.06532	1.1
111.04443	61.8
111.08057	1.4
112.04803	0.9
113.06006	8.1
115.03913	8.4
117.07008	1.1
119.08576	3.0
121.06455	1.4
122.86334	0.7
127.01714	0.7
127.03954	4.5
127.07549	8.9
128.10722	3.9
129.05489	12.4
129.06984	0.8
129.11061	5.2
131.08563	1.7
133.10115	2.4
135.08028	1.0
135.11670	1.0
137.05885	1.7
142.07751	1.5
143.08556	2.1
145.10115	2.6
146.14569	0.8
147.08011	0.8
147.11723	1.3
149.09688	0.9
155.07031	85.2
156.07356	1.0
157.04982	4.0
157.10165	3.9
159.11699	3.0
161.09636	2.0
161.13266	1.1
170.11758	1.9
171.12096	5.8
172.65045	0.7
173.08099	45.6
175.15211	2.3
184.59784	0.8
189.16321	0.9
199.09698	5.2
199.14799	2.7
217.08585	1.7
217.10696	36.1
217.12317	1.4
217.15810	6.0
217.19374	1.9
218.21201	0.9
233.84128	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	217.1548
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.05509	3.1
56.05032	5.4
57.60625	0.7
70.45576	0.8
70.45899	1.3
71.08234	1.6
71.08632	30.9
80.12098	0.6
83.04979	4.6
83.06103	3.2
84.04505	100.0
85.02901	7.8
88.11270	86.2
89.02396	0.9
89.06029	1.5
89.11597	2.0
93.00500	0.6
93.59298	0.7
97.78104	0.6
97.82132	0.6
98.93764	0.7
101.06018	2.4
102.05537	6.2
111.04444	8.3
112.04025	0.9
113.06001	1.1
114.14570	0.8
129.05524	0.8
130.05005	41.2
144.08090	1.8
155.07048	9.1
156.77809	0.8
171.14929	15.4
171.16298	1.4
172.04382	0.7
172.15393	1.2
173.08054	4.5
199.14453	1.0
200.12817	71.4
201.13142	1.5
211.51389	0.7
214.47597	0.8
217.04977	1.1
217.10722	4.3
217.15479	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
53.03959	0.8
55.05511	3.8
55.84315	0.5
57.03430	1.7
67.05502	1.3
69.03428	24.5
69.07066	0.9
69.93097	0.5
70.87912	0.7
71.08630	1.0
73.02916	1.4
81.07048	0.8
83.04972	6.8
85.02902	100.0
86.03233	1.9
87.04452	0.9
89.06001	0.6
91.05471	1.6
93.07050	0.5
95.08579	0.5
97.02892	47.2
98.03222	1.2
101.06023	2.4
105.07043	4.4
107.08605	0.9
109.10129	1.3
111.04446	7.4
112.04781	0.5
113.06000	0.9
115.03926	8.6
119.08617	1.0
121.06501	6.5
121.10175	0.5
127.03901	4.5
127.07543	1.2
129.05426	0.6
133.06506	0.9
133.10117	2.7
135.08054	8.7
135.09006	1.0
143.08556	0.6
146.07254	3.9
147.08072	3.3
148.31635	0.5
149.09604	0.6
155.05756	0.5
155.07016	9.8
157.04970	4.3
157.10181	0.6
159.07988	0.9
160.08794	0.8
161.09615	41.7
162.10001	1.1
173.08109	4.2
175.11186	10.6
199.09587	1.0
217.10747	5.3
217.15868	20.4
218.16231	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	218.0813
Annotation	3-Methylindolepyruvate
Peak:m/z	Relative Intensity
51.02383	0.4
54.03454	0.6
55.01869	15.6
56.05839	0.3
65.03944	3.0
71.28478	0.4
72.04513	10.1
79.05492	0.8
82.02944	3.0
83.04984	0.5
84.04512	0.5
84.05318	0.4
91.05480	59.1
92.05804	1.3
93.07041	0.4
96.04482	0.5
96.36176	0.3
97.06541	1.0
100.03978	41.3
101.04310	0.6
103.05472	1.3
105.07018	1.7
107.04953	13.8
108.05286	0.3
109.06541	0.3
111.04447	0.5
112.04768	0.7
115.05448	0.8
117.07027	2.1
118.06534	0.8
119.04941	100.0
120.04528	0.4
120.05265	2.4
120.08096	0.5
121.06506	1.3
122.09648	0.4
130.06519	0.6
131.04900	1.6
132.94328	0.3
133.05238	0.3
133.06482	0.9
134.06020	5.2
135.06776	1.1
136.07576	41.4
137.05992	0.8
137.07913	0.9
143.07309	0.4
144.04454	1.5
144.08061	1.2
145.06471	7.3
146.05981	1.2
147.04414	0.6
147.08044	2.6
148.07594	2.4
149.05963	0.8
154.06517	2.0
155.06050	0.8
155.07220	0.9
156.07356	1.1
157.05267	0.6
157.06465	0.7
158.05971	3.0
159.04427	0.8
161.06003	0.6
162.05487	6.7
162.09077	1.6
171.06717	0.5
172.07574	30.1
173.05991	8.4
173.07825	0.8
174.08481	0.4
176.07085	0.4
190.08636	10.6
200.07062	58.4
201.05457	2.1
201.07396	1.8
213.17108	0.3
218.08121	44.1
219.08395	1.3
219.17377	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	218.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76183	1.6
55.05504	5.4
56.05035	2.2
56.05837	2.8
58.57108	1.6
58.81626	1.3
67.05511	2.2
69.03419	1.9
69.07070	10.0
69.34931	4.7
69.35336	2.8
70.02945	3.6
74.02448	7.8
83.04977	5.6
84.05304	5.6
84.08149	2.9
86.09711	100.0
87.00848	9.3
91.05486	3.9
92.05801	1.9
93.07066	3.6
95.04990	3.0
98.02451	2.7
98.09707	1.8
98.23325	3.3
102.06361	2.6
103.05489	2.4
104.03477	26.7
105.07045	2.4
111.04465	5.5
112.03969	26.7
112.04776	9.7
112.07595	4.1
116.03455	35.6
119.08587	2.2
121.06506	14.4
127.07562	1.6
130.08621	6.1
132.10207	3.2
134.09811	1.8
135.21075	1.5
154.08629	8.1
155.07040	4.1
156.07358	18.7
162.09192	2.7
168.46042	1.5
172.09688	99.9
173.08124	2.8
174.08395	8.9
178.58177	1.6
200.10083	1.9
218.08115	27.8
218.11081	10.1
218.15463	5.2
218.21132	3.0
219.02914	1.9
219.17442	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	218.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.3
56.05838	2.7
65.86736	1.6
67.05469	1.7
67.91913	1.7
69.03414	3.2
69.07072	10.2
69.64860	1.6
70.02953	3.3
70.83995	2.9
74.02429	5.7
79.88488	1.6
83.04988	5.4
84.05297	5.0
84.08142	2.1
86.09708	96.2
87.00835	9.4
87.10030	2.3
91.05475	2.8
93.07060	2.0
98.02407	3.5
98.09678	3.9
102.06372	2.1
104.03468	26.0
111.04434	5.4
112.03965	23.7
112.04774	7.3
112.07593	6.8
116.03458	36.1
120.06200	2.1
121.06511	14.3
123.21312	1.6
125.02229	1.4
128.39699	1.6
130.08612	2.9
130.93567	1.4
132.10223	3.1
153.90938	1.7
154.08627	11.2
155.07030	2.6
156.07338	11.9
172.09692	100.0
173.10097	3.4
174.08455	4.9
178.31477	1.6
190.68375	1.6
203.14331	2.5
208.19986	1.7
216.83910	1.5
218.08163	10.3
218.11034	7.6
218.15378	1.9
219.17401	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71562	100.0
69.71924	50.6
79.26555	28.6
98.90927	32.9
128.25552	30.2
191.06229	33.4
219.02580	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.01883	1.1
57.03422	2.3
64.96443	1.3
66.45800	0.9
67.05495	1.9
69.05588	8.9
69.07002	1.1
69.35078	1.2
71.04982	2.1
72.17397	1.0
74.45403	1.2
74.78593	0.9
79.05486	2.1
81.07041	4.2
83.04971	1.4
88.03970	2.1
91.05480	20.2
93.07024	2.7
95.04954	1.3
95.08614	2.7
103.05448	3.8
105.07040	8.0
107.04951	2.2
107.08578	2.6
109.10195	1.8
115.05447	15.1
116.06237	5.0
116.26167	1.0
117.05771	1.8
117.07027	8.4
118.06562	1.3
119.08578	4.9
120.08050	1.9
121.06533	1.5
121.10142	2.3
128.06215	12.0
129.07007	54.1
130.06512	2.4
130.07823	2.6
131.04929	9.8
131.08566	46.5
132.08073	15.0
132.08939	1.1
133.10150	8.7
133.11009	1.6
135.08046	3.1
137.06007	5.3
141.06987	41.0
142.06496	3.1
142.07733	1.2
143.04941	1.5
143.07294	5.2
143.08441	2.3
144.04442	3.3
144.05688	10.7
145.05225	4.1
145.06468	13.3
145.10149	3.6
146.07286	5.7
147.04387	1.6
147.11710	1.8
148.05078	1.8
151.07504	1.5
155.06018	1.5
155.08556	1.2
156.05798	1.7
157.06494	26.3
158.07272	28.0
159.04419	5.0
159.08049	34.9
159.09212	7.0
159.11658	6.9
160.05223	8.4
160.07573	74.8
161.08009	2.6
161.09598	4.5
161.13196	2.2
163.03891	1.8
163.07530	3.2
169.06465	19.0
169.07692	1.5
170.06088	7.7
170.07170	8.0
172.05165	1.5
173.05959	8.7
173.09593	1.8
174.06769	89.4
175.07503	12.1
175.14865	1.5
183.08083	2.1
185.06052	1.7
186.06754	21.2
187.07344	3.2
188.08348	4.0
189.09105	100.0
190.09442	3.3
191.03419	1.6
191.07013	1.5
191.10629	7.0
201.05472	2.0
201.09103	44.4
201.16443	1.9
202.08632	35.4
203.14301	4.7
205.15790	1.2
213.94710	1.0
219.02939	2.2
219.06557	3.9
219.10158	91.2
219.13745	4.2
219.17407	22.3
220.10294	1.3
220.17891	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03420	1.7
65.75646	1.3
69.05647	9.4
84.67331	1.4
91.05482	11.3
91.61411	1.2
98.23383	2.6
103.05447	3.3
105.07024	3.1
115.05449	11.4
116.06242	3.7
117.07021	3.0
128.06229	9.2
129.07008	41.5
130.07777	2.6
131.04936	8.1
131.08568	34.6
133.10109	2.9
137.05989	2.0
141.06995	36.1
141.08102	2.3
143.08620	2.2
144.05714	5.5
145.06483	10.5
145.10150	1.2
146.07243	3.8
147.04303	1.3
157.06485	23.2
158.07283	21.6
159.04437	4.0
159.08047	28.1
159.11813	1.4
160.05214	6.1
160.07545	1.8
161.05948	1.6
161.09613	4.5
163.07559	1.7
168.05736	1.6
169.06474	16.3
169.07761	1.7
170.07301	8.5
171.04547	1.6
173.06013	4.4
174.06779	78.1
175.07510	14.9
186.06755	18.8
187.07416	1.4
188.08316	2.9
189.09108	100.0
190.09477	2.3
191.10649	5.3
201.09119	42.6
202.09174	1.6
219.10173	88.7
219.17441	4.3
220.10545	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.25417	0.8
55.05511	1.7
57.03436	1.4
58.40430	0.9
64.35900	0.8
67.05496	2.3
69.07069	1.2
69.32436	5.6
79.05482	2.9
81.07052	3.3
91.05489	13.7
93.07032	2.3
93.18169	1.0
95.08583	2.7
103.05459	4.3
105.07034	35.6
107.08586	3.9
109.10152	1.4
115.05462	13.0
116.06232	4.3
117.06997	3.5
119.08562	4.0
121.06496	1.4
121.10113	2.2
123.94968	0.9
128.06236	12.2
129.07013	47.3
130.07806	2.8
131.04930	9.3
131.08577	40.9
133.06493	1.3
133.10143	8.1
135.08069	1.5
135.11633	1.9
137.05975	3.6
141.06996	35.1
142.07425	1.6
143.04922	2.5
143.08609	2.8
144.05693	7.3
145.06467	9.8
145.10124	3.1
146.07283	5.3
147.11655	1.4
155.06001	1.4
156.05737	0.9
157.06493	20.9
157.07710	1.4
158.07297	24.5
159.04416	4.6
159.08058	26.5
159.11728	2.8
160.05215	7.2
161.06021	1.8
161.09570	4.5
161.13245	2.2
163.07571	2.0
163.11211	1.2
168.05658	1.8
169.06470	15.9
169.07742	1.4
170.07301	6.9
171.04390	1.2
173.06024	4.6
173.13284	2.3
174.06772	82.0
175.07510	11.6
176.08197	1.5
176.14355	20.9
186.06770	20.2
187.07486	2.1
188.08232	4.5
189.09117	100.0
190.09523	2.2
191.07062	1.2
191.10634	6.9
201.09114	41.6
201.16364	4.1
203.14287	6.0
219.10176	94.1
219.17430	23.8
220.10634	1.8
220.17059	1.6
233.72281	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	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81644	1.3
57.03410	1.5
69.54366	6.4
70.70444	1.4
75.02378	1.3
89.22559	1.2
91.05486	11.9
95.04993	1.3
103.05460	3.4
104.74712	1.3
109.07346	1.4
115.05447	10.3
116.06236	5.1
117.06988	2.7
119.08590	1.4
128.06238	11.4
129.07014	43.5
130.07829	3.0
131.04918	6.8
131.07570	2.4
131.08569	41.2
132.05782	1.8
133.10098	1.3
137.06038	2.7
140.05879	1.3
141.06985	40.3
143.04901	2.1
143.08516	2.0
144.05702	7.3
145.06543	9.0
146.07259	5.6
148.05182	2.2
151.07635	1.6
157.06493	25.4
158.07280	24.2
159.04413	3.0
159.08047	27.3
160.05267	6.1
161.09641	4.0
163.07547	2.6
168.05681	1.5
169.06462	17.6
169.07547	1.2
170.07281	10.1
173.05974	4.2
173.09639	1.5
174.06770	85.9
175.07547	12.6
186.06763	17.5
187.07512	2.3
188.08257	3.4
189.09108	100.0
190.09509	2.7
191.06882	1.7
191.10617	6.5
201.09106	40.5
219.10172	98.9
219.17404	3.5
220.10503	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.81648	0.9
57.03415	1.3
67.05521	1.0
68.42077	0.9
70.89680	2.3
72.04018	0.9
74.03463	1.0
80.85758	1.0
91.05489	10.1
93.83000	1.1
97.51501	1.0
101.58726	1.1
103.05481	3.0
105.07063	2.0
111.13899	0.9
115.05453	10.8
116.06237	2.4
117.07008	3.5
119.04934	1.2
121.10149	1.5
128.06236	10.8
129.07007	50.9
130.07773	3.5
131.04932	9.6
131.08571	38.9
132.08897	1.2
133.10143	3.2
137.05991	4.5
141.06990	39.2
142.07646	1.1
143.04913	1.7
143.08583	2.1
144.05731	7.3
145.06490	8.6
146.07280	5.6
148.05153	1.7
155.06010	1.9
157.06500	20.9
158.07275	26.2
159.04404	3.5
159.08064	27.9
160.05231	5.1
161.05971	1.7
161.09625	3.4
163.07550	2.3
168.05687	1.4
169.06456	14.1
169.07565	1.3
170.07268	6.5
171.07994	1.7
173.05940	4.7
174.06767	83.5
175.07533	12.5
176.08347	1.4
177.05563	1.2
185.05945	1.1
186.06757	19.9
187.07448	2.0
188.08290	3.9
189.09109	100.0
190.09415	2.3
191.07034	2.3
191.10703	8.3
201.09106	40.7
219.10164	97.4
219.17430	3.5
220.10463	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.98464	1.2
57.03418	2.1
58.12389	1.3
62.57419	1.1
64.55907	1.2
67.05491	2.5
69.06989	1.0
70.80296	1.2
70.80618	2.0
77.48690	1.2
79.05477	1.8
81.07069	1.6
91.05482	14.1
93.07044	2.0
103.05460	3.3
105.07023	3.6
107.04913	1.4
107.08591	1.8
109.06525	1.5
115.05472	12.3
116.06222	3.3
117.07022	3.6
119.08570	1.9
120.08060	1.4
121.06499	2.4
128.06235	12.1
129.07010	44.1
130.07780	3.1
131.04944	9.3
131.07573	2.2
131.08566	41.7
132.08885	1.4
133.10114	4.8
136.12769	1.3
137.05956	5.3
141.06985	36.5
143.04938	2.0
143.08534	2.9
144.05736	6.5
145.06511	8.9
145.10144	2.0
146.07292	6.5
147.07996	1.6
148.05168	1.7
149.54388	1.3
154.05624	1.2
155.08505	1.5
157.06491	23.5
158.07280	23.5
159.04408	3.8
159.08058	32.7
159.11736	2.3
160.05257	5.7
161.09595	4.9
163.03888	2.6
163.07597	2.7
168.05678	1.5
169.06458	16.2
169.07652	2.0
170.07234	7.9
171.08092	1.6
173.05959	4.9
173.09660	2.5
174.06770	80.5
175.07491	10.8
186.06754	17.2
187.07468	2.0
188.08313	4.2
189.09111	100.0
190.09457	3.8
191.03464	2.6
191.10680	8.8
201.09106	42.4
203.14268	9.0
205.15909	1.4
219.10162	94.9
219.13570	2.3
219.17433	24.4
220.10437	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	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03941	4.5
55.01870	1.7
55.05519	10.5
57.07076	12.0
62.60348	1.5
64.54053	1.3
65.03931	5.1
67.05508	45.1
69.07076	8.2
79.05495	58.2
79.92895	1.2
81.07060	55.0
83.04990	11.7
83.08616	1.7
91.05486	45.9
93.03380	8.3
93.07042	16.1
95.04964	6.0
95.08611	20.7
97.06538	20.0
103.05447	3.8
105.04508	1.4
105.07035	38.4
107.04952	11.3
107.08601	19.5
107.48740	1.5
109.06493	4.0
109.10159	53.5
111.04453	23.4
113.04831	1.5
115.05455	4.4
116.06291	3.5
117.07029	19.6
119.07781	2.7
119.08588	37.2
121.06523	5.7
121.10153	21.2
125.05994	100.0
128.06154	1.7
129.07051	9.3
130.07732	3.9
131.04961	2.5
131.08569	89.5
132.08881	3.3
133.06514	1.9
133.10133	44.5
135.04422	6.0
135.08006	3.0
137.06033	2.7
138.61412	1.5
139.07556	1.4
141.06989	3.0
142.07771	3.0
143.08565	11.1
144.09320	4.1
145.06464	10.0
145.10120	42.6
146.10457	1.9
147.11705	4.9
149.05986	11.0
149.09601	1.8
149.13144	1.3
149.45135	1.5
151.07562	1.7
155.08569	5.6
157.10123	6.0
158.10921	17.9
159.08067	25.1
159.11716	15.0
161.09676	1.7
161.13313	1.9
163.07542	16.6
165.68233	1.8
168.09349	7.4
172.08789	1.9
172.94305	3.0
173.09625	4.6
173.13263	96.5
174.13638	5.2
175.14832	4.7
176.08289	1.7
177.09117	39.9
183.11739	15.6
186.10451	2.4
190.95357	2.8
191.10689	1.8
191.14415	2.0
201.12752	98.9
202.13087	4.2
203.14359	10.5
205.15916	1.7
219.13824	82.9
219.17345	30.2
219.20866	1.5
220.14153	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	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03944	2.1
55.05517	7.2
57.07067	2.9
58.07409	1.5
58.20800	1.4
67.05499	7.9
69.07059	6.3
70.06578	3.8
70.52743	3.0
71.04994	16.6
71.06947	1.2
71.08629	1.2
74.56249	1.0
75.69370	0.9
79.05502	12.3
81.07063	35.0
83.04987	4.9
83.08633	2.3
83.17017	1.1
85.06539	1.5
86.54992	1.0
88.07637	5.3
89.07951	1.1
90.57590	1.0
91.05486	23.4
93.07052	21.9
95.04980	2.8
95.08604	10.1
97.06533	6.1
97.10165	1.7
102.09161	1.2
105.07037	71.0
106.07397	1.2
106.08675	2.0
107.08591	17.7
109.06544	2.3
109.10150	7.0
111.08089	1.1
116.06198	1.3
117.07037	6.2
119.08595	16.8
121.06511	3.5
121.10145	13.1
123.11712	2.5
125.09644	23.4
126.09953	1.4
129.07060	1.2
130.07780	1.8
131.08582	13.4
133.10136	100.0
134.10484	3.0
135.08073	1.8
135.11667	3.6
137.09598	1.7
139.11211	1.8
145.10146	12.7
147.11678	12.6
149.09656	1.6
149.13191	1.8
158.10976	1.9
159.11699	17.6
161.13275	10.3
163.11185	3.0
173.13269	4.3
174.06847	1.0
175.14792	2.9
177.12746	1.5
177.16376	2.2
192.91432	1.1
201.16402	16.1
201.20438	2.4
203.14320	1.8
205.15807	1.2
219.10124	1.6
219.17479	35.7
219.21500	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03949	1.6
55.05518	7.9
57.07080	3.5
58.07416	1.1
59.05003	1.1
66.48203	1.0
67.05512	9.2
69.07063	5.4
70.06589	3.3
70.52156	2.1
71.05003	12.6
71.06915	1.3
71.08637	1.1
73.06573	1.5
79.05499	9.6
81.06583	2.0
81.07060	32.7
83.04977	3.6
83.08616	2.1
85.06563	1.7
85.47502	0.8
88.07615	4.5
89.07970	2.6
89.74117	1.0
91.05488	21.2
93.07057	20.3
95.04956	2.6
95.08620	13.3
97.06540	5.2
97.10150	2.0
99.08102	1.2
105.07041	64.7
106.07375	1.3
106.08649	2.3
107.08578	15.4
109.06519	2.1
109.10161	7.7
111.08073	2.0
113.09621	1.1
115.05447	1.9
117.07014	5.4
118.07826	1.0
119.08595	13.3
121.06527	4.5
121.10146	11.3
123.08064	1.9
123.11726	2.5
125.09636	22.2
127.11186	1.0
128.77287	1.1
129.06956	1.4
130.07834	2.6
131.08569	11.1
133.10138	100.0
134.10489	1.7
135.08051	1.5
135.11693	4.2
137.09631	1.0
139.11197	2.6
144.09338	1.3
145.10127	16.9
147.11700	12.9
149.09639	1.2
149.13316	2.7
151.03900	9.7
151.11147	1.0
157.10112	1.8
159.11700	16.5
161.13264	10.7
163.11215	2.1
173.13301	5.4
175.14844	1.8
177.12787	1.7
186.14088	1.1
188.51210	0.9
201.16397	14.1
201.20450	2.4
203.14291	1.5
219.10115	3.6
219.13977	1.3
219.17451	34.0
219.21503	44.1
220.17952	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	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03948	0.9
55.05516	5.1
56.96566	0.3
67.05488	0.3
69.07080	0.3
69.55279	1.1
69.92207	0.2
77.03940	0.2
79.05494	4.9
81.07049	1.0
83.04985	39.5
84.05339	0.5
91.05481	3.3
93.07049	24.5
94.07381	0.5
95.04987	0.7
95.08624	0.3
97.73537	0.2
99.08090	0.6
103.05489	0.3
105.04520	0.3
105.07035	4.5
106.07805	0.5
107.08613	0.6
109.10122	0.3
110.21482	0.2
111.08106	0.6
119.08569	3.4
121.10148	100.0
122.10474	2.4
123.08062	1.0
133.07635	0.5
133.10178	0.4
145.10104	0.6
154.93193	0.3
159.11691	0.3
161.13242	0.5
163.11125	0.3
172.94301	0.3
190.95338	0.4
201.16360	0.4
203.14290	1.2
205.15793	0.5
219.14049	0.3
219.17458	6.5
220.09846	0.4
220.17830	0.3
225.30252	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	220.0604
Annotation	Xanthurenic acid 8-methyl ether
Peak:m/z	Relative Intensity
55.01877	14.1
57.07072	0.8
67.05518	0.4
70.03748	0.4
70.44057	1.1
77.10882	0.4
77.43232	0.4
79.05493	0.4
81.07073	0.8
85.47976	0.5
85.74231	0.4
90.05541	0.7
91.05483	1.4
93.07056	1.0
95.04976	0.7
95.08604	0.7
103.05503	0.8
105.07030	1.2
106.07346	0.6
118.06554	1.1
119.08557	0.6
120.04468	4.3
121.06509	3.6
128.04993	1.1
130.02887	1.3
130.06572	0.6
132.04466	17.7
133.04846	0.4
134.10481	0.5
135.11650	0.5
145.10104	0.8
146.02370	3.4
146.06024	8.5
148.07570	0.5
150.05490	2.5
156.04477	2.6
160.12067	0.6
174.05519	64.4
175.05919	2.3
177.12732	0.6
183.69244	0.4
184.03920	1.0
201.06076	0.4
202.05006	100.0
203.05365	3.2
203.14401	0.6
204.14616	0.6
205.15907	8.2
220.06088	5.5
220.09679	1.4
220.11639	0.7
220.17871	5.5
220.20424	0.9
221.15315	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	220.0605
Annotation	Xanthurenic acid 8-methyl ether
Peak:m/z	Relative Intensity
54.98963	0.2
55.01873	14.4
57.07058	0.2
67.14440	0.2
69.46084	0.9
73.02911	0.3
74.18290	0.2
90.05553	0.3
91.05491	0.2
92.05002	0.6
93.07088	0.2
95.04985	0.3
101.02383	0.6
103.05461	1.1
104.04966	0.7
105.03374	0.3
105.07056	0.2
118.06524	0.4
120.04478	4.5
120.07241	0.3
120.08104	5.4
121.02854	0.3
121.06491	0.4
128.04956	1.2
130.02908	1.2
130.06505	0.7
132.04456	17.8
133.04793	0.2
138.19888	0.2
146.02370	2.6
146.06010	8.6
147.06393	0.3
150.05507	1.6
156.04433	3.2
161.13206	0.2
166.92667	0.2
174.05508	66.1
175.05875	2.0
184.03935	1.0
190.05009	0.4
202.04994	100.0
203.05344	3.0
205.15839	0.8
220.06050	6.4
220.17751	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	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05509	1.3
57.07075	5.5
58.85123	0.6
59.04997	4.1
67.05505	6.2
69.07070	4.4
69.16895	3.4
69.33960	0.6
70.02957	6.9
72.04520	15.6
72.08147	0.6
73.02921	3.1
74.02435	1.8
81.07039	0.9
83.04973	2.0
85.06551	10.7
86.09697	1.5
87.04424	0.8
87.08109	1.8
90.05557	100.0
91.05910	0.9
95.04970	7.9
96.08128	2.0
98.02421	17.5
98.03063	0.9
98.06052	0.7
100.03979	2.7
103.07584	8.9
113.05996	2.8
116.03460	13.9
121.06522	1.0
124.07597	18.1
130.04353	0.7
130.06529	0.8
131.07076	1.5
132.04395	0.7
139.81418	0.6
142.08635	8.5
156.10295	1.0
158.05997	0.8
158.11751	3.3
160.09660	3.0
166.08612	2.7
174.11137	3.1
175.08664	2.3
184.09703	21.8
193.01328	1.1
202.10742	29.1
204.14807	0.6
205.15797	2.9
220.10040	1.0
220.11794	27.2
220.17726	1.7
221.00824	1.4
221.12289	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	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11010	0.7
57.07074	5.3
57.75703	0.7
59.04998	5.4
61.10846	0.7
67.05512	7.7
67.25477	0.7
69.07069	4.8
69.08251	4.2
70.02956	8.8
72.04522	17.5
73.02931	4.0
74.02448	1.8
83.04984	1.7
85.06552	10.0
86.09705	1.0
87.08131	2.5
90.05562	100.0
95.04969	8.6
96.08143	2.1
98.02427	15.7
100.04005	2.8
103.07593	7.8
112.07632	1.2
113.06010	3.2
116.03466	14.6
121.06604	0.9
124.07607	19.2
126.83788	0.7
131.07082	1.1
142.08649	8.2
156.10207	1.0
158.06102	1.1
160.09692	2.2
166.08620	1.3
174.11317	2.7
175.08765	0.8
184.09705	18.5
192.02921	1.7
202.10759	29.4
203.11143	0.8
205.15883	2.5
220.11819	23.5
220.17867	1.3
221.00847	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	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01871	1.6
55.05514	1.4
56.01408	0.8
56.88077	0.5
57.07071	6.2
59.04999	5.6
59.93311	0.6
60.14608	0.5
67.05510	7.0
69.07065	6.2
69.81000	2.8
70.02959	9.7
72.04518	18.1
73.02920	3.7
74.02438	1.5
81.07076	1.1
83.04990	0.8
85.06548	10.2
86.09706	1.5
87.08118	0.8
90.05556	100.0
91.05933	0.6
95.04984	7.2
96.08128	2.1
98.01823	1.2
98.02419	19.2
100.03962	2.1
103.07577	8.2
103.88210	0.6
112.07608	0.7
113.05997	3.8
116.03458	13.4
124.06694	0.9
124.07599	18.5
127.70654	0.5
131.07033	0.7
142.08621	10.2
156.10207	1.2
160.09715	2.2
166.08656	2.2
174.11288	1.5
175.08746	0.6
184.09692	20.9
202.10741	26.5
205.15829	1.4
220.11807	20.9
220.17792	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	221.0445
Annotation	Buntansin
Peak:m/z	Relative Intensity
52.08059	0.4
53.03939	1.0
54.57285	0.4
55.01876	4.5
55.05490	0.8
56.05076	0.4
63.02981	0.4
65.03941	4.3
65.83972	0.5
67.05495	1.4
69.07055	0.8
69.08177	2.9
71.04982	1.0
77.03920	1.6
79.01827	0.6
79.05485	2.1
81.07063	4.0
84.22466	0.4
91.05482	32.2
91.92421	0.5
92.05797	0.7
92.97779	0.4
93.07051	2.7
93.47192	0.4
95.01330	0.5
95.04973	2.1
95.08598	1.8
98.22622	0.7
103.05473	14.2
105.03400	1.5
105.04500	0.6
105.07023	2.3
107.04958	0.5
107.08587	3.2
109.06513	1.3
109.10140	1.7
115.05493	0.6
119.04946	28.2
119.07770	0.7
119.08593	2.5
120.05276	1.2
121.06524	0.7
121.10135	1.0
123.04379	0.7
123.11691	0.5
125.02362	0.4
129.03355	3.3
129.04384	0.7
129.80667	0.4
131.04930	9.9
133.02861	1.8
133.10126	2.1
134.10443	0.9
135.10757	0.6
135.11685	3.3
137.05984	1.8
145.06512	1.1
146.03633	0.6
147.04411	47.8
147.11717	1.1
148.04749	1.1
151.03917	1.7
151.11151	0.6
153.01826	8.3
157.02870	2.7
159.03183	0.8
159.04422	10.7
161.02336	0.5
161.13292	1.0
165.05484	11.3
173.05981	1.0
175.03915	29.9
175.06480	2.1
175.14864	0.9
176.04404	0.9
177.05470	3.3
179.03416	3.4
182.36311	0.4
193.04973	24.3
194.05333	1.2
201.05420	0.6
203.03398	38.0
203.06039	3.4
203.14340	0.7
203.17883	0.9
204.03719	1.5
206.16245	0.5
220.21777	0.4
221.04457	100.0
221.15372	1.5
221.19025	1.8
221.21852	0.9
222.04810	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	221.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16648	0.6
55.01880	0.6
56.05036	1.8
60.04533	0.5
61.01150	1.3
63.07853	0.5
69.29550	2.2
69.29962	1.1
70.25970	0.5
70.29447	0.6
72.08165	0.6
74.02460	1.0
74.06080	0.6
81.03448	0.5
82.02941	2.2
84.04489	0.7
84.08173	1.1
90.55629	0.5
91.05484	0.7
92.07100	0.6
94.06578	4.0
95.01331	0.7
98.23302	1.1
103.05469	1.6
104.05315	1.9
109.02954	0.6
115.05486	0.9
118.06602	0.6
119.04931	0.6
120.08112	1.3
121.06519	3.2
123.05606	0.6
127.08735	0.6
130.06538	72.2
131.06938	1.6
132.04462	41.7
133.04791	0.8
134.06050	0.7
136.07581	0.9
140.20341	0.5
144.12856	0.6
146.06042	0.7
147.04501	0.7
147.09174	0.6
148.07564	3.2
150.05836	1.7
157.05667	0.7
157.07625	26.5
158.06026	82.0
159.06355	2.2
162.79964	0.5
173.74715	0.6
175.08684	100.0
176.03453	1.7
176.07101	2.3
176.09026	2.5
185.93672	0.5
186.05516	2.3
193.01352	1.2
203.08157	3.7
204.03026	0.8
204.06563	4.8
206.16222	1.2
212.02573	0.6
221.00826	1.9
221.04587	0.8
221.09238	19.9
222.09663	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	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
57.07049	0.6
70.71833	0.7
73.04776	0.6
81.07066	0.6
82.02950	2.1
90.05564	2.4
90.89975	0.4
91.05885	0.9
93.60062	0.4
94.06561	4.0
98.38150	0.4
104.04972	0.7
105.07008	0.4
107.08511	0.4
109.10107	0.4
115.05436	1.1
119.02582	0.4
120.08072	0.7
121.06477	1.0
125.07928	0.6
130.06532	53.0
131.06848	1.4
132.04453	37.4
133.04782	0.7
147.04376	0.5
148.07602	1.2
156.06783	0.6
157.07613	20.8
158.06013	74.6
159.06371	1.6
161.05997	0.7
175.08673	100.0
176.07063	2.5
176.09077	2.2
185.10095	0.5
186.05522	1.7
203.08206	0.7
203.11122	1.0
204.06555	3.9
206.16237	2.9
221.00958	0.7
221.04562	0.7
221.09233	21.1
221.12065	1.3
221.18446	0.9
222.09628	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
74.02459	0.7
82.02947	1.9
84.87885	0.6
91.05482	0.7
94.06567	4.6
97.15894	0.6
103.05447	0.6
104.05000	0.6
106.92503	0.5
115.05509	0.9
120.08110	1.2
121.06488	0.8
130.06535	68.2
131.06891	1.9
132.04459	44.6
133.04787	1.0
140.04941	0.7
148.07573	2.9
148.51637	0.6
157.06308	1.1
157.07622	29.9
158.06018	84.9
159.06400	1.3
175.08678	100.0
176.07091	3.5
176.08995	2.3
186.05515	2.5
203.08173	7.8
204.06560	4.1
206.16228	0.8
221.00826	0.7
221.09227	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	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03959	0.5
54.76403	0.4
63.17880	0.4
68.57591	0.5
82.02927	2.0
91.05431	0.7
94.06550	4.6
103.05446	0.7
104.02133	0.5
104.04958	0.6
106.77674	0.5
115.05429	0.8
120.08094	0.9
121.06515	1.3
121.10161	0.4
130.06526	54.3
131.06839	1.5
132.04451	40.4
133.04770	0.9
136.07573	1.8
147.09171	1.1
147.93095	0.5
148.07552	1.4
157.07610	24.5
158.06013	75.7
159.06357	1.7
165.01851	0.6
175.08669	100.0
176.07065	2.0
176.09001	3.1
186.05542	2.4
193.01306	1.5
203.08145	1.6
204.06555	3.8
206.16145	1.6
221.00880	2.9
221.09224	21.4
221.18593	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	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31730	0.2
69.54648	0.2
81.22861	0.2
86.95041	0.2
91.05482	1.0
93.07101	0.3
105.07019	0.4
111.71452	0.2
115.05474	1.3
116.06223	0.6
117.07023	5.1
119.04941	0.3
119.08588	0.2
120.65578	0.2
121.06504	0.3
128.06279	1.0
131.91179	0.2
133.06493	0.8
134.07262	1.3
135.08070	0.7
140.46675	0.2
143.08553	1.0
144.05719	0.6
145.06528	0.9
147.04376	0.2
147.08073	0.3
149.09628	0.3
160.05286	0.3
161.05956	0.5
162.06760	4.7
163.55940	0.2
170.74504	0.2
171.07961	0.8
175.07555	2.7
177.09114	100.0
178.09436	3.0
197.71611	0.2
203.10732	0.5
211.21039	0.2
221.05992	0.3
221.09802	0.3
221.11887	0.4
225.52635	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	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
67.05508	0.2
68.85805	0.2
69.07063	0.3
69.54606	0.8
71.04996	0.3
79.05490	0.4
81.07062	0.8
82.66212	0.1
83.08617	0.2
91.05464	1.0
93.07040	0.6
95.08591	0.5
98.22662	0.2
103.05485	0.2
105.07033	1.0
107.08591	0.7
109.06541	0.2
109.10155	0.3
115.05466	1.3
116.06245	0.8
117.07024	4.6
119.04937	0.5
119.08593	0.8
121.06516	0.5
121.10149	0.4
126.11887	0.1
128.06238	1.0
131.04945	0.2
133.06551	0.8
133.10126	0.3
134.07318	1.2
135.08092	0.8
135.11711	0.5
137.05965	0.2
143.08539	1.0
144.05699	0.6
145.06526	0.9
147.04407	0.4
147.08063	0.6
147.11743	0.3
149.09586	0.3
160.05243	0.3
161.05957	0.5
161.09564	0.1
161.13304	0.4
162.06773	5.9
163.07188	0.2
171.08040	0.8
175.07535	2.2
175.08920	0.2
175.14923	0.3
177.09114	100.0
178.07883	0.2
178.09471	3.4
193.05017	0.2
203.10664	0.4
203.14240	0.2
203.17969	0.3
206.16232	0.4
221.04352	0.2
221.11685	0.6
221.15359	0.5
221.18887	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03946	4.5
55.01865	3.6
55.05510	17.0
55.32805	1.7
56.96563	4.2
57.03434	3.3
57.07071	5.6
59.83260	1.6
63.74584	1.7
65.03946	1.6
67.05507	26.2
69.03427	9.2
69.07075	23.6
70.05222	3.2
70.05573	4.0
71.04987	8.1
77.03915	1.6
78.36324	1.7
79.05501	30.6
79.61792	1.5
81.03455	2.0
81.07059	57.3
83.04988	15.5
83.08634	8.6
83.09058	1.6
85.02914	2.3
85.06563	5.8
88.36711	1.5
91.05474	48.2
91.06006	2.6
93.06470	3.7
93.07048	52.6
95.04967	6.2
95.08608	44.1
96.16119	1.9
97.06538	3.1
97.10171	2.7
103.05519	2.4
105.07038	80.0
107.04993	1.8
107.08600	50.8
107.09294	3.6
108.08178	2.6
109.06512	12.1
109.10162	29.0
111.08097	5.0
113.25875	1.7
115.05499	2.9
117.07014	10.8
119.08586	100.0
120.08897	3.3
121.06509	7.0
121.10149	34.0
123.08085	10.1
123.11720	12.5
125.09640	3.9
129.07005	5.6
131.08568	9.3
133.06520	4.1
133.10135	65.8
135.08070	5.1
135.11697	24.3
135.38374	2.0
137.05966	2.9
137.09605	7.9
137.13181	2.4
142.07770	2.9
143.08586	10.7
145.10130	6.2
146.07114	1.7
147.04460	2.1
147.08054	21.0
147.10600	3.2
147.11687	29.3
147.12764	2.6
149.09642	3.9
149.13287	11.6
151.07538	2.6
151.11191	22.1
157.10153	4.8
159.08061	2.2
159.11679	9.2
161.09641	18.6
161.13272	82.1
162.13623	3.0
163.11205	4.0
163.14833	7.0
165.09132	34.0
165.12801	5.7
170.10922	2.9
173.09541	1.9
173.13313	3.7
175.11214	13.9
175.14847	19.7
177.12762	3.2
177.16429	2.9
179.10666	2.3
185.13261	15.1
186.79042	1.7
190.13477	1.8
191.14314	8.0
193.15913	2.6
194.08179	2.4
203.10721	4.7
203.14334	19.5
203.17978	34.9
204.18285	2.1
206.16248	4.9
221.04449	2.4
221.11870	3.6
221.15408	63.3
221.18959	30.4
222.11258	2.2
222.15688	2.7
239.09569	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.64559	2.2
53.03947	2.9
55.05510	14.9
57.07060	6.7
57.12874	2.2
59.04994	2.6
60.71116	2.1
67.05510	17.2
68.99185	6.7
68.99612	13.7
69.03421	15.6
69.07064	18.7
71.04985	3.6
73.76192	1.9
79.05498	19.2
81.03421	2.6
81.07060	30.8
83.04987	25.0
83.08617	6.0
84.14330	2.2
85.06512	5.4
91.05455	23.7
93.07048	21.6
95.04951	9.8
95.08623	27.1
97.06535	6.5
103.05457	2.7
105.07034	48.1
107.04954	4.9
107.08598	32.3
109.06541	14.6
109.10157	21.5
111.08051	5.4
117.06989	4.4
119.08586	73.5
121.06509	12.6
121.10169	27.2
123.04450	3.7
123.08080	8.7
123.11706	7.6
125.09597	3.0
131.08569	9.2
133.06502	4.7
133.10133	71.6
135.08029	7.6
135.11697	11.9
137.09621	13.8
142.07759	3.1
143.08553	5.3
145.10124	10.2
147.08051	18.5
147.11696	17.1
149.09601	9.1
149.13272	2.7
151.11192	40.2
157.10107	4.4
158.05959	2.7
159.11681	6.0
161.05914	4.1
161.09651	16.8
161.13264	52.2
163.11183	6.4
165.09128	64.3
170.10890	6.6
173.09639	3.0
173.13258	7.9
175.11189	14.6
175.14798	20.9
176.15128	2.3
177.12814	2.9
185.13264	8.9
190.13515	5.7
191.14294	14.4
193.08580	2.5
203.14355	15.0
203.17946	10.1
206.16219	7.0
221.09445	2.5
221.15363	100.0
221.18781	13.8
221.20865	3.3
222.15706	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	221.1901
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
51.25878	1.3
53.03941	1.9
55.05521	8.8
57.07084	1.8
67.05516	6.9
69.07075	8.3
71.04602	2.3
71.04994	40.7
71.52641	1.2
79.05484	14.0
81.07062	75.1
84.33636	1.5
91.05450	9.9
91.82418	1.6
93.07046	44.3
95.04918	1.9
95.08611	25.2
96.97083	1.4
97.06509	2.6
97.10189	2.3
99.08122	3.3
105.07038	36.2
107.08604	46.0
109.10163	24.2
113.09636	3.6
117.07018	2.3
117.41455	1.6
118.09053	1.4
119.08585	63.7
121.06478	1.5
121.10139	6.6
123.11727	12.4
127.11221	8.4
130.06493	2.2
133.10127	20.9
135.11702	79.3
145.10056	1.6
147.11693	22.8
149.13271	16.8
158.06100	2.0
161.05971	2.7
161.13272	9.9
163.14839	3.0
165.12877	1.4
175.08777	1.5
175.14864	4.6
176.07042	2.9
177.16364	1.8
203.17955	44.3
204.18259	2.2
206.16164	2.1
221.19012	100.0
222.19383	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	221.1901
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
53.03939	2.2
55.01865	4.7
55.05510	6.7
57.07069	3.3
63.83050	1.7
65.22601	1.8
67.05497	10.8
67.10561	2.0
69.07058	11.5
71.01437	2.5
71.04996	44.5
73.04740	1.7
75.57399	1.6
79.05489	18.9
79.85408	1.8
81.03407	1.9
81.07059	81.1
83.04984	2.4
83.08604	3.2
91.05485	20.8
92.38808	1.9
93.07046	42.4
94.07392	2.0
95.04967	3.2
95.08608	32.7
95.09181	3.6
96.45454	1.8
97.06538	5.9
97.10236	1.6
99.08085	6.5
103.05436	2.7
105.06384	3.3
105.07033	44.3
107.07867	3.1
107.08598	55.8
109.06525	1.9
109.10156	26.4
113.09634	2.6
115.05413	2.6
117.07011	2.2
119.04937	1.9
119.08585	68.0
120.08976	3.8
121.06523	7.4
121.10131	13.8
123.08055	2.1
123.11710	13.1
125.09662	3.0
127.11218	8.5
131.08563	3.3
133.06523	2.7
133.10127	20.2
135.08109	3.0
135.11699	83.5
137.05991	2.1
145.10094	2.3
147.08061	5.9
147.11697	31.3
149.02332	7.3
149.13269	13.0
151.07495	2.1
159.11646	2.3
161.09615	3.4
161.13268	11.0
163.14841	3.2
165.09044	2.0
175.07434	2.7
175.08798	2.9
175.11232	2.1
175.14821	7.9
177.16443	3.3
179.10635	2.0
193.01413	1.8
203.14447	1.9
203.17953	51.4
206.16173	3.7
221.00822	6.3
221.04364	4.0
221.07881	1.9
221.11765	4.4
221.15388	6.7
221.19006	100.0
222.11243	2.8
222.19402	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00297	0.6
53.03942	2.5
55.01870	1.9
55.05513	13.8
56.05857	0.6
57.03442	1.0
57.07069	3.8
59.04992	1.4
63.02393	0.6
65.03940	1.8
67.05510	9.7
69.03436	1.2
69.07072	9.0
69.43409	3.4
71.04996	13.4
79.05493	16.9
80.05843	0.9
81.03439	1.5
81.07060	54.8
82.07369	1.2
83.04981	1.8
83.08640	5.9
85.06546	2.0
91.04055	0.6
91.05475	21.5
91.06008	1.2
93.07049	36.1
94.07368	1.4
95.04976	2.9
95.08612	27.0
95.36759	0.8
96.08969	0.7
97.06540	1.5
97.10148	1.5
98.78367	0.7
99.08093	2.8
103.05480	1.4
105.04485	0.8
105.07040	24.6
106.07353	6.6
107.08600	62.1
108.08920	1.7
109.06524	3.3
109.10168	17.7
109.10912	0.9
111.08080	2.7
111.11739	1.1
113.09616	0.8
117.07011	2.6
119.08585	27.5
120.99570	1.0
121.02880	1.7
121.06512	3.9
121.10146	9.9
122.06821	0.8
123.08112	3.6
123.11713	14.7
125.09620	3.1
127.11179	2.8
129.07053	1.5
131.08598	2.2
133.09375	0.5
133.10133	20.0
135.08113	1.6
135.11700	100.0
136.12024	3.3
137.06036	1.2
137.09610	5.3
137.13261	4.2
139.11189	1.1
141.06984	0.7
143.08604	0.8
145.06445	1.0
145.10153	3.7
147.04390	1.1
147.08058	1.7
147.10489	0.7
147.10695	0.3
147.11687	19.4
149.02353	22.1
149.09648	0.8
149.13289	5.4
149.98309	0.6
151.07579	1.2
151.11192	4.9
157.10106	0.9
159.11694	1.8
160.12500	0.8
161.06003	1.3
161.09637	0.8
161.13271	10.4
162.13759	0.9
163.11246	1.2
163.14839	4.4
165.01883	1.8
165.12697	3.1
175.07524	1.5
175.11211	1.8
175.14844	3.0
176.07341	0.8
176.14252	1.7
177.14706	7.0
177.16431	2.0
179.14357	1.2
190.06149	0.8
193.01361	2.5
203.07028	0.8
203.10736	1.1
203.14253	1.4
203.17966	23.9
204.18263	1.3
206.16248	2.6
221.00900	5.2
221.04518	1.3
221.08047	8.7
221.11682	1.6
221.15410	4.4
221.19026	38.0
222.19389	1.9
239.09506	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.77554	1.0
50.80516	0.9
53.03952	2.3
55.01863	2.4
55.05516	12.8
57.07066	3.3
67.05511	9.3
69.03410	1.5
69.07079	8.7
71.04996	15.1
79.05493	17.5
81.03427	2.1
81.07064	47.2
83.05025	1.6
83.08623	4.0
85.06525	1.8
87.08153	1.0
91.05483	14.5
92.05803	1.2
93.07049	39.5
95.04961	2.4
95.08618	22.4
97.06517	1.8
97.10175	1.1
99.08104	3.4
103.05486	1.3
105.07039	21.7
106.07356	5.4
107.08604	62.8
108.08925	1.3
109.06554	2.1
109.10164	18.7
111.08090	3.4
113.09641	1.7
117.07034	1.0
119.07784	1.9
119.08588	24.1
121.02848	1.8
121.06493	2.4
121.10150	12.0
123.08074	3.2
123.11731	12.5
125.09682	2.0
127.11169	2.6
131.08543	1.8
133.10141	22.6
135.11705	100.0
136.12044	3.7
137.09631	4.6
137.13263	3.6
145.10162	2.1
147.11688	18.3
149.02333	9.9
149.13275	3.9
151.11215	4.0
155.27670	0.9
159.11719	1.2
161.09601	1.3
161.13258	9.9
163.14845	5.1
165.12712	2.1
175.14825	3.5
177.14665	5.1
177.16261	2.1
193.01360	2.2
203.14529	1.1
203.17975	26.9
206.16261	1.4
221.00807	5.6
221.08124	4.0
221.15393	3.0
221.19026	34.4
222.19308	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03937	2.3
55.05517	13.2
57.03436	1.9
57.07065	4.6
67.05508	10.5
69.03424	2.8
69.07072	10.9
71.05000	20.6
79.05492	20.1
81.03439	2.3
81.07062	60.9
83.04969	2.3
83.08617	5.0
87.12687	1.7
91.05473	15.9
93.07047	37.4
93.34716	1.4
95.04968	3.8
95.08611	30.3
97.06541	4.5
97.10126	2.7
99.08087	3.0
103.05431	1.8
105.07030	29.6
106.07386	4.0
107.08598	63.7
109.06565	3.8
109.10165	22.3
111.08073	2.7
115.05439	1.8
117.07011	6.5
119.08599	40.8
121.06487	5.5
121.10130	11.6
123.08039	3.6
123.11718	19.9
125.09634	3.2
127.11182	6.3
128.06287	2.6
131.04979	1.8
133.10139	24.1
135.08067	3.0
135.11702	100.0
136.12036	4.5
137.09631	4.6
143.08611	3.0
145.10101	3.3
147.04425	2.9
147.08026	2.4
147.11699	24.0
149.02374	3.5
149.13258	9.4
151.11192	3.8
152.80164	1.6
160.12489	2.2
160.34012	1.6
161.09639	2.1
161.13248	13.6
162.06772	5.0
163.14857	5.4
165.05373	2.8
165.12827	2.2
175.07518	3.3
175.11211	1.9
175.14815	4.0
177.05505	2.2
177.09125	65.1
177.14709	2.1
177.16379	2.9
178.09477	3.4
188.08374	2.2
203.10773	2.1
203.14543	1.5
203.17963	32.8
206.16232	5.3
221.00868	3.8
221.04437	5.0
221.11713	2.2
221.15355	3.8
221.17348	5.2
221.19070	48.7
222.18828	1.8
224.83952	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03940	3.0
55.05513	17.6
56.96578	2.0
57.03436	1.5
57.07071	4.8
67.05517	12.6
67.28025	1.6
68.04848	1.7
69.07073	14.2
69.91904	4.3
71.05002	18.4
72.64864	1.8
79.05502	20.6
81.07065	61.0
82.25169	1.6
83.04974	6.2
83.08607	5.7
85.06560	2.5
90.35880	1.6
91.05441	14.6
92.78600	1.4
93.06470	2.9
93.07047	39.9
93.07628	2.2
95.04974	3.6
95.08049	2.8
95.08611	33.8
97.06554	2.2
97.10171	3.3
99.08098	3.9
105.06374	2.9
105.07038	33.3
107.08601	64.6
109.06540	4.2
109.10165	26.2
111.08105	3.8
119.08582	42.4
121.06516	4.3
121.10144	15.3
123.08061	4.3
123.11710	21.2
127.11172	4.3
131.08589	2.2
133.07574	1.5
133.10130	23.1
135.11697	100.0
136.12032	1.8
137.09624	5.2
137.13255	5.3
139.11246	1.9
145.10109	3.7
147.11693	21.8
149.13258	10.0
151.11165	5.0
161.13246	16.4
162.05336	1.8
163.14845	8.3
165.12744	3.8
175.14763	4.2
177.16396	2.4
179.14252	2.0
182.71809	1.7
203.03493	1.8
203.17966	36.8
204.18390	1.9
206.16260	5.2
221.04382	3.2
221.09450	2.6
221.15717	7.6
221.19023	57.3
222.19383	2.4
237.99881	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03952	2.7
53.81911	1.3
54.77437	1.6
55.05515	13.0
57.07068	6.3
57.92130	1.6
59.47084	1.5
67.05497	7.3
69.07077	10.9
71.04999	15.8
79.05493	15.3
81.07057	32.8
83.04988	2.0
83.08611	6.9
91.05473	13.9
93.07041	33.6
95.04960	2.0
95.08616	23.0
98.23435	3.8
99.08102	3.9
105.07028	18.5
107.07866	3.2
107.08599	65.7
108.08918	1.8
109.06526	3.6
109.10162	17.6
111.11738	2.5
119.08578	21.5
120.05824	1.7
121.10139	6.8
123.08084	4.0
123.11706	15.1
125.09704	2.7
127.11198	2.7
131.08615	2.1
133.10127	20.8
135.11696	100.0
136.12036	2.5
137.09598	4.1
137.13222	3.0
139.11235	2.7
145.10081	2.3
147.11685	13.9
149.13260	5.7
151.11188	4.6
161.13275	13.4
163.14789	6.5
165.12732	2.7
203.17961	26.1
221.19014	32.3
222.19241	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	221.1901
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
53.03944	1.6
55.05507	13.3
57.07074	3.6
67.05509	10.0
69.07073	14.4
70.42531	4.3
71.04996	23.2
79.05489	18.9
79.82713	1.6
81.07062	64.5
83.04925	1.8
83.08621	7.4
85.06528	2.3
91.05481	10.9
93.07044	40.8
95.08611	35.4
97.06512	4.1
97.10181	3.1
99.08080	1.9
105.07031	27.5
107.08600	69.1
108.01459	1.4
108.08932	3.3
109.06517	1.7
109.10156	25.6
111.08103	1.7
111.11697	2.2
113.09627	2.3
117.06977	1.9
119.08579	39.7
121.10143	10.1
123.08076	3.3
123.11712	15.2
125.09602	3.2
127.11231	7.4
133.10132	23.7
135.11700	100.0
136.12018	2.5
137.09604	4.6
137.13205	3.7
145.10109	3.0
147.11681	24.7
149.13275	11.6
151.11195	4.1
161.13310	11.2
163.14828	6.4
165.05426	2.2
165.12715	3.0
175.14818	2.8
177.12663	1.5
177.16371	3.8
203.17973	41.8
221.15492	3.9
221.19011	67.9
222.19400	1.8
222.22368	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00325	1.0
53.03939	2.0
55.05516	11.3
55.18956	0.8
57.03446	0.9
57.07065	4.1
58.52908	1.0
58.58817	0.9
59.04995	1.4
63.68147	0.8
67.05508	7.2
69.07065	11.2
69.35814	1.8
69.36222	2.9
71.04999	18.2
71.08630	1.0
79.00272	0.9
79.05495	16.4
81.07057	54.3
83.04971	3.0
83.08619	6.8
85.06551	1.7
91.05473	10.4
93.07043	35.7
95.04967	2.4
95.08610	31.5
97.06505	1.8
97.10168	3.6
99.08099	3.9
105.07028	22.9
107.08598	61.6
108.08928	1.6
109.06503	2.6
109.10162	19.5
111.08092	2.7
111.11724	1.3
113.09635	0.8
117.07052	1.5
119.08588	32.6
121.10140	10.1
123.08060	2.9
123.11709	18.6
125.09608	1.5
126.13653	0.9
127.11183	3.8
131.08557	1.5
133.10135	22.9
135.11696	100.0
136.12022	2.8
137.09651	4.4
137.13237	4.0
145.10062	2.2
147.11684	19.4
147.12770	1.6
149.13275	8.5
151.11169	4.6
161.13281	11.3
163.14851	5.4
165.12775	2.5
175.07602	1.2
175.14833	2.5
177.16371	1.8
203.17957	31.7
204.18341	1.4
221.04411	1.9
221.19008	43.9
222.19402	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.43345	0.8
52.84705	0.8
53.03947	1.5
55.05511	9.9
57.07061	4.1
58.98652	0.8
59.04988	1.6
65.03941	1.0
67.05505	9.1
69.03407	1.1
69.07071	9.4
70.14071	2.7
71.04991	16.7
71.08646	0.8
73.06557	1.0
79.05491	13.8
81.07056	40.3
83.04973	3.0
83.08614	6.4
84.50546	0.7
85.06541	1.7
87.08102	1.2
91.05475	10.3
93.07042	32.5
93.07632	1.7
95.04967	1.2
95.08606	28.4
97.06521	2.5
97.10163	3.7
98.22672	1.2
99.08083	3.4
105.07034	16.3
107.08592	56.6
108.08907	1.5
109.06518	2.7
109.10152	17.4
110.10479	1.0
111.08055	3.0
119.04952	0.8
119.08582	30.5
121.10135	9.0
123.08105	1.7
123.11698	15.0
125.09601	1.2
127.11200	3.4
131.08574	1.0
133.10126	21.5
133.11064	1.6
135.11693	100.0
136.12010	3.0
137.09601	3.6
137.13283	3.9
139.11176	1.7
145.10120	2.3
147.04413	1.1
147.11684	17.1
149.13268	6.3
151.11174	5.1
153.12694	0.9
159.11707	0.9
160.12363	1.0
161.13255	9.8
163.05452	0.8
163.14777	5.6
165.12764	1.9
175.14864	1.5
177.16368	2.4
203.17958	33.5
204.18309	1.4
207.07579	1.0
221.04388	1.5
221.19005	46.0
222.19319	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.20460	1.1
51.43735	1.0
53.03951	2.6
55.01862	1.3
55.05517	8.9
57.07077	4.4
59.04995	1.2
67.05508	9.2
67.96954	0.8
69.03429	1.0
69.07077	9.1
69.70750	0.9
71.04998	18.2
73.06537	1.2
77.03915	1.2
78.86603	1.1
79.05499	13.3
81.07061	45.6
83.08613	4.7
85.06543	2.1
90.66035	1.1
91.05460	9.5
93.07048	35.9
95.04981	1.6
95.08610	27.5
97.06528	2.1
97.10152	1.7
98.23430	3.0
99.08106	4.1
105.07033	24.3
107.04923	1.2
107.08601	57.9
109.06531	3.2
109.10166	18.9
111.08111	2.6
115.05444	2.0
119.08590	32.5
121.06512	1.3
121.10136	9.5
123.08070	4.0
123.11723	16.0
125.09662	1.6
127.11215	3.1
131.08565	1.8
133.06525	5.3
133.07411	1.2
133.10133	22.3
133.11078	1.9
135.11699	100.0
136.12093	3.1
137.09624	5.1
137.13260	3.9
145.10118	2.1
146.03604	1.2
147.11688	20.7
149.13264	5.6
151.03918	1.5
151.11203	5.2
160.05182	1.4
161.05971	5.8
161.09644	2.2
161.13278	13.7
163.14816	6.5
165.06992	2.8
165.12794	3.6
175.07523	1.9
175.14822	3.7
177.05421	1.2
177.16449	1.4
179.14311	1.2
185.13327	1.0
188.24164	1.1
193.08617	5.3
203.17969	33.0
206.16266	2.3
212.55602	0.9
221.06067	2.4
221.07877	2.6
221.09738	2.3
221.15804	6.3
221.19031	46.6
222.19417	2.2
229.54935	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	221.19
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
53.03934	1.9
55.05508	11.6
56.18225	2.3
56.98464	2.1
57.07053	3.1
59.72968	2.0
62.93756	2.2
67.05502	8.6
69.07065	15.1
69.95624	6.5
71.04606	2.3
71.04990	43.7
79.05490	18.0
79.39717	2.2
81.06591	4.1
81.07056	80.8
83.08624	5.8
88.04688	2.3
91.05466	15.5
93.07041	48.4
95.04905	2.4
95.08601	31.4
97.06522	5.0
97.10160	3.6
99.08067	4.8
105.07032	43.7
107.08593	68.2
109.10152	27.2
111.08068	3.3
113.09641	1.9
119.08582	68.3
121.10125	11.9
123.11716	16.4
127.11176	8.1
133.10143	19.3
134.10617	2.1
135.11693	99.8
147.11688	30.2
149.13277	18.5
151.11214	3.3
161.13290	11.8
163.14796	3.9
169.38536	2.0
175.14851	4.4
177.16386	3.7
203.17943	52.1
221.15477	6.1
221.18997	100.0
222.19400	3.0
237.53613	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	221.1902
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
51.98607	1.4
53.03941	2.2
53.61479	1.6
55.05523	8.1
57.07063	3.8
67.05505	9.8
69.07072	10.1
69.53994	5.5
70.89804	1.7
71.04998	23.8
75.89964	1.5
79.05508	15.4
81.06584	3.0
81.07064	54.1
83.08612	3.6
83.12172	1.5
85.06560	1.9
91.05479	9.0
93.07054	33.1
95.08615	26.2
97.06559	1.9
97.10187	3.1
98.23338	2.2
99.08073	4.2
105.07041	23.6
107.08605	52.7
108.08913	2.2
109.06539	1.9
109.10168	16.0
119.07796	1.3
119.08584	33.0
121.10159	6.1
123.08012	1.7
123.11717	12.2
127.11211	5.3
133.10127	19.6
135.11705	100.0
136.12033	1.8
137.09660	2.0
137.13231	2.8
145.10103	2.0
147.11691	20.7
149.13248	10.1
151.11214	3.4
161.12086	1.4
161.13235	8.8
163.14806	4.1
165.12749	2.8
175.14880	2.0
177.09135	1.8
177.16415	2.0
186.70323	1.5
203.17969	34.8
221.19031	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	15.0
55.71834	12.6
56.05033	16.1
57.03435	12.4
59.18770	13.1
68.25837	12.8
69.03423	22.6
71.27434	17.0
72.04509	55.1
74.06065	31.5
84.04498	21.8
84.08186	13.3
84.88554	12.9
85.02911	30.9
86.09702	19.4
91.05402	14.7
92.07101	22.4
93.22716	14.5
95.01318	38.6
97.02893	90.6
108.86932	14.8
113.02374	79.1
121.06490	82.3
123.00794	78.2
125.02402	30.9
128.03456	27.4
140.07121	13.7
141.01825	53.7
141.92590	13.3
143.03386	89.3
144.06604	25.0
144.73810	14.7
158.04501	41.5
158.08142	23.7
169.01353	100.0
176.09238	23.1
176.10727	17.3
187.02382	41.2
204.05043	33.1
204.08676	72.3
204.88335	14.8
222.02763	17.6
222.07828	23.8
222.11327	17.6
225.04233	34.1
238.36064	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	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01869	0.3
67.82935	0.3
88.51515	0.3
89.48336	0.2
90.06301	0.3
95.74326	0.2
98.76319	0.3
103.05466	0.8
104.04987	0.3
106.06581	0.3
118.06531	0.7
119.04789	0.3
120.08109	12.2
120.94624	0.3
125.93136	0.3
128.52487	0.3
130.06531	100.0
131.06868	2.2
132.04453	18.0
133.04854	0.4
144.92024	0.3
146.06013	0.9
148.07576	29.1
149.07967	0.6
150.08766	0.3
158.06017	31.3
159.06357	0.9
176.07071	79.3
177.07478	1.6
204.06575	1.7
222.07625	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	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.05510	8.3
58.99575	0.6
69.03435	0.4
69.13456	2.6
70.06593	0.5
79.05499	0.4
79.49486	0.3
81.07065	1.1
83.04965	0.4
83.08620	10.7
86.99066	0.6
88.74268	0.4
91.05476	1.9
93.07055	2.0
95.04986	0.8
96.19431	0.4
98.22591	0.7
101.09653	1.3
102.05593	0.4
103.05458	2.5
104.05014	0.6
105.00076	0.6
105.07019	1.0
106.06580	0.7
108.33041	0.4
118.06554	0.7
120.08109	12.9
121.06508	18.7
122.06823	0.5
130.06528	100.0
131.06857	2.5
132.04451	18.9
133.04843	0.4
136.06194	1.7
137.06009	0.6
146.05992	0.8
148.03873	0.6
148.06386	1.0
148.07568	27.3
149.02306	0.7
149.07909	1.0
150.09128	0.6
158.06015	31.1
159.06369	1.0
162.05585	0.4
166.02165	0.6
176.07069	83.5
176.33105	0.3
177.07401	1.9
177.18330	0.4
194.01653	0.5
194.04539	1.7
200.58585	0.3
204.06552	0.6
204.10313	0.4
205.08876	1.0
221.78233	0.4
222.01151	1.6
222.04007	1.7
222.07640	5.5
222.11269	2.5
222.13437	1.5
223.02196	0.4
223.13394	0.5
225.04324	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	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49622	0.3
68.27666	0.3
69.17435	2.1
89.26725	0.3
93.07050	0.4
103.05469	0.5
106.06577	0.5
109.04707	0.4
118.06577	0.8
120.07236	0.6
120.08108	13.0
121.06494	0.6
123.93292	0.4
126.60632	0.3
130.06531	100.0
131.06876	2.9
132.04457	18.5
133.04741	0.5
146.06012	0.7
148.07570	28.4
149.07916	0.5
158.06017	31.3
159.06371	2.0
176.07072	84.1
177.07428	2.1
204.06587	2.0
222.07648	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	222.1853
Annotation	Sarmentine
Peak:m/z	Relative Intensity
53.03955	1.3
55.01873	1.5
55.05517	14.0
56.05035	3.6
57.03429	4.8
57.07086	1.6
65.03915	1.2
67.05518	6.5
68.05023	4.9
69.03429	1.5
69.07058	4.1
70.06584	3.8
71.08636	36.0
79.05505	19.8
80.05019	4.4
81.06585	2.5
81.07063	46.4
82.06584	7.2
83.04990	2.7
83.08611	2.8
84.04485	2.1
84.08150	3.1
84.44450	1.3
86.09702	1.9
88.11253	2.5
91.05499	4.8
93.07048	7.8
94.06552	3.4
95.04984	16.8
95.07291	1.4
95.08611	6.0
96.04501	6.8
96.08131	4.8
98.09695	4.8
98.22623	2.7
103.36568	1.2
105.06999	3.8
107.04974	1.4
107.08605	6.5
108.08123	2.6
109.06548	6.6
109.08931	2.3
109.10163	2.7
110.06035	5.2
110.09698	6.7
113.04745	1.0
114.12850	1.3
117.07059	2.5
118.06565	1.7
119.07289	1.4
119.08593	3.7
121.06461	1.8
122.09683	4.9
123.08091	2.2
124.07574	8.4
124.11237	5.2
125.09616	1.1
131.08607	2.0
134.09648	18.6
135.08023	3.3
136.11165	2.0
137.09575	2.0
138.12788	9.8
140.10709	8.8
142.12282	11.8
150.09151	3.7
150.12798	5.0
152.10716	26.7
154.12212	1.3
163.11171	2.1
164.14279	1.8
166.12276	24.9
166.13571	2.2
166.15929	14.6
167.12776	1.6
168.17496	2.9
180.13852	20.4
182.58630	1.2
192.17513	1.2
194.19057	6.3
204.17476	31.5
207.11501	1.4
208.12331	2.5
220.16942	4.3
222.18533	100.0
223.11168	1.5
223.13138	1.4
223.18799	3.2
232.33720	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	222.2217
Annotation	Halichonadin F
Peak:m/z	Relative Intensity
53.03940	0.3
55.05241	0.3
55.05513	6.3
56.05036	1.0
57.07084	0.4
58.06600	1.0
58.93274	0.2
67.05508	6.1
68.04993	0.2
69.07072	4.7
70.06596	1.5
70.07390	0.3
70.85670	0.3
72.08162	0.5
79.05492	2.5
81.07059	4.2
82.06583	4.9
82.07355	0.3
83.08609	0.8
84.08155	1.4
86.09737	0.2
91.05470	0.4
93.07047	2.4
94.06597	0.2
95.04974	0.2
95.07355	0.3
95.08614	3.4
96.08137	1.9
96.08737	0.3
96.08942	0.2
98.09098	0.3
98.09700	3.7
105.07030	0.3
106.07350	0.2
107.08593	1.6
108.08111	0.2
108.08854	0.3
109.10172	2.0
110.09698	1.3
110.10410	0.3
111.10480	1.8
112.11271	1.1
112.11987	0.3
121.06503	0.5
121.10127	1.0
122.09676	0.2
122.10482	0.3
123.11713	0.2
124.11233	11.8
135.11668	0.5
138.12779	1.0
149.02440	0.3
149.13251	0.7
150.12730	0.2
152.14339	0.3
162.13588	0.2
163.14842	0.3
164.14375	0.2
168.17424	0.4
173.74164	0.2
176.10704	0.2
176.77820	0.2
179.98819	0.2
180.17502	0.4
194.19063	0.4
222.22174	100.0
223.22540	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	222.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.31519	0.3
55.05511	5.7
56.05025	1.3
56.71676	0.4
57.07071	0.4
58.06609	2.0
66.33274	0.4
66.70841	0.3
67.05505	4.6
69.07071	4.7
70.06578	1.5
71.28970	0.3
71.29398	0.5
72.08138	0.8
73.29796	0.3
76.92554	0.4
79.05493	3.7
81.07058	7.7
82.06577	6.1
82.07391	0.4
83.08595	1.0
84.08127	1.7
91.05477	1.0
93.07043	3.9
95.08600	4.9
96.08144	2.4
96.08768	0.3
98.09692	3.7
105.07003	0.5
107.08597	2.7
108.08125	0.5
109.10124	2.3
110.09673	1.2
111.10460	1.6
112.11250	1.2
121.06507	2.1
121.10143	1.4
123.11671	0.6
124.11231	11.0
130.35696	0.3
135.11662	0.7
138.12805	0.8
147.12775	0.3
160.65024	0.3
163.14859	0.6
166.15826	0.6
166.94930	0.3
176.15184	0.5
194.19054	0.4
204.18257	0.5
222.11316	0.9
222.22163	100.0
223.22455	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	223.0966
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.02410	0.6
52.77943	0.4
53.15069	0.4
55.01881	0.6
57.03433	1.1
58.20638	0.4
59.05000	0.6
62.09701	0.5
65.03926	1.0
69.70263	1.7
71.04969	0.6
79.05500	1.1
81.03427	0.7
81.07046	0.7
82.85023	0.5
89.06054	0.9
91.05470	4.8
93.07056	0.8
94.04181	0.5
95.04969	0.5
99.04470	0.9
102.04640	0.5
103.05473	28.4
104.10020	0.4
105.07069	1.0
107.04972	1.7
107.08553	0.6
115.05457	14.3
115.06265	0.8
116.06291	0.7
117.07024	70.7
118.07354	1.6
119.08567	0.6
121.06513	1.4
122.03680	1.9
127.31509	0.5
131.04935	64.1
132.05244	1.5
136.05176	0.8
137.05984	21.4
144.05682	1.4
145.06490	100.0
146.06903	2.1
147.04407	1.4
149.02379	1.9
149.06004	1.3
151.03914	0.9
155.06024	2.7
159.08066	0.5
159.11568	0.4
160.05252	0.9
161.05959	2.5
162.06781	2.7
163.07547	63.8
164.07956	1.0
172.05241	1.0
173.05965	1.3
175.07510	0.5
177.09117	65.2
177.74696	0.4
178.09492	1.4
187.07532	0.8
190.06270	2.8
195.06480	0.5
205.08606	57.3
206.08972	1.5
223.06003	1.8
223.09615	5.6
225.04294	1.3
227.02054	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	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03977	2.0
55.01880	3.6
55.05516	14.8
57.03450	2.6
67.05495	9.2
67.86766	1.8
69.03425	9.9
69.07067	5.0
70.31350	2.8
70.31686	4.8
71.04993	9.2
79.05496	13.9
81.07060	12.8
83.04981	11.5
83.08624	63.2
85.02915	6.4
86.00518	1.9
91.05489	14.9
93.07035	17.8
95.04996	4.1
95.08611	16.5
97.02907	27.2
97.06519	2.9
99.04457	7.6
105.07040	19.6
107.04951	3.9
107.08598	100.0
109.06519	6.8
109.10142	7.9
111.08050	3.3
116.52284	2.3
117.07017	5.0
119.08585	36.5
121.06503	8.8
121.10149	40.0
123.08080	14.3
125.05994	6.1
125.08736	4.3
125.09636	66.6
126.09958	2.7
131.04961	2.0
131.08607	4.8
133.10132	3.8
135.08073	6.0
135.11716	15.6
137.09628	31.4
139.07538	7.2
139.11154	4.4
145.10114	21.6
147.08069	19.8
149.02351	5.8
149.05972	2.3
149.09593	5.4
149.10756	1.9
153.12726	8.1
159.11708	23.3
161.09558	3.3
163.03885	2.6
163.07578	2.4
163.11191	71.2
165.09113	16.2
166.15756	2.2
167.07072	2.4
172.08858	3.3
177.12767	10.1
181.12254	46.1
187.11159	9.0
205.12247	29.5
205.15833	4.7
206.12379	2.4
223.07652	3.8
223.11143	1.7
223.13283	37.1
223.16783	4.5
233.97731	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	223.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52842	6.2
56.93678	5.3
71.28550	5.4
74.06084	7.0
74.25476	5.8
86.09709	36.4
89.28002	5.5
94.93017	18.4
104.10738	5.9
135.59319	5.1
164.94347	15.8
205.96178	11.7
206.10251	8.0
207.80521	6.3
223.97292	60.3
223.99403	11.9
224.01666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0553
Annotation	7,8-Dihydro-7,8-dihydroxykynurenate
Peak:m/z	Relative Intensity
53.03953	0.3
56.70737	0.2
57.32877	0.2
58.13863	0.2
59.60697	0.2
59.67999	0.2
70.20325	0.7
85.74821	0.3
91.05464	0.8
93.07030	1.1
95.04951	0.4
103.05490	1.4
104.05008	2.2
105.07036	0.3
108.04473	2.4
120.08115	0.6
121.06502	12.3
121.08409	0.6
122.06809	0.2
132.04449	20.2
133.04776	0.3
136.03940	5.1
136.07558	0.3
137.04256	0.3
146.05957	0.4
150.05478	0.8
160.03938	17.6
160.11197	0.8
161.04292	0.3
163.03893	0.3
164.03421	20.5
164.07074	3.8
165.03786	0.5
167.08992	0.2
178.04987	100.0
178.12257	1.0
179.05333	3.0
206.04509	4.9
206.08086	0.5
224.05554	1.1
224.08972	1.1
226.04262	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	224.0554
Annotation	7,8-Dihydro-7,8-dihydroxykynurenate
Peak:m/z	Relative Intensity
55.05507	0.5
69.03439	0.2
69.07037	0.2
69.19449	1.3
70.02940	0.3
71.04981	0.2
74.66659	0.2
77.03928	0.2
80.05055	0.2
81.03409	0.3
81.07051	0.3
83.08611	0.7
91.05489	0.3
93.07062	0.4
94.06528	0.2
94.40517	0.2
95.04976	0.2
98.16319	0.2
104.04996	2.5
105.07026	0.2
108.04479	2.9
109.06525	0.2
119.04923	0.2
119.08572	0.3
121.06506	0.5
132.04451	21.1
133.04803	0.4
136.03937	4.8
136.07549	0.3
137.05910	0.2
150.05502	0.8
160.03938	16.6
161.04301	0.4
164.03426	20.7
165.03773	0.6
178.04990	100.0
179.05344	3.0
206.04489	5.5
206.08105	0.3
207.04683	0.2
207.10205	0.3
224.05498	1.4
224.09100	0.5
224.23586	0.2
226.04222	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	224.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	22.8
68.86967	18.3
70.00338	61.1
78.34543	20.3
80.82352	18.7
84.04523	22.8
86.06063	34.2
101.02411	31.9
111.47510	17.4
115.03936	36.3
129.01846	100.0
157.01329	45.2
161.04506	38.3
164.07060	26.4
189.03944	42.1
199.64372	17.7
206.08185	25.5
224.07166	23.8
224.09201	74.9
226.04393	40.8
238.38823	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01867	0.4
62.51142	0.2
69.43721	1.5
74.47341	0.2
77.03936	0.3
79.05480	0.4
79.25356	0.2
86.06047	0.6
91.04901	0.3
91.05481	7.1
93.07045	10.5
95.04971	1.7
98.22548	0.3
103.05470	6.8
105.04513	0.7
112.46291	0.3
119.04936	1.9
121.06505	100.0
122.06118	0.3
122.06850	2.4
130.06505	0.7
132.07196	0.4
136.07561	0.4
137.05991	0.5
138.09157	0.4
146.05943	1.5
147.04414	1.1
148.07507	0.3
149.02356	0.3
150.02795	0.3
151.03949	0.4
164.07063	30.6
165.07420	0.8
173.60529	0.3
175.03922	1.1
176.07013	0.4
178.05074	0.2
179.07117	0.4
180.04128	0.3
188.07086	0.2
188.11383	0.3
192.04156	0.4
193.04967	0.4
195.72780	0.3
206.08083	1.7
206.11861	0.4
207.06458	1.6
224.09155	4.5
224.12836	0.5
225.04277	0.3
225.06561	0.4
226.04285	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	224.0917
Annotation	Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
55.05495	0.6
57.03412	0.6
60.12335	0.5
61.29693	0.6
63.18514	0.5
67.05505	0.7
71.28366	0.7
79.05483	0.6
81.03434	0.9
81.07074	0.7
83.04983	0.6
91.05481	17.0
94.06577	1.3
95.04964	3.2
103.05453	0.8
105.07027	3.0
107.04943	1.4
109.06525	1.1
110.06096	1.0
118.06532	0.9
119.04945	17.4
120.05276	0.6
121.06509	2.3
123.04433	12.2
126.22272	0.5
134.09705	0.6
136.07578	100.0
136.29021	0.5
137.05998	0.8
137.07948	2.4
147.04414	4.1
150.05643	0.7
150.09102	0.9
162.05501	0.9
163.03963	0.9
164.07080	1.5
165.05473	18.7
166.05785	0.6
178.08627	17.1
179.09081	0.7
182.08144	15.1
188.07016	0.6
206.08115	1.2
224.09219	4.1
226.04424	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	224.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15339	0.2
53.03937	1.3
55.01880	0.4
60.04514	0.4
63.69164	0.2
65.06136	0.2
69.03440	0.3
70.02942	0.4
70.54697	0.3
70.55047	0.6
71.04994	0.6
77.03946	0.4
79.05498	0.4
81.07040	0.4
91.05483	5.4
92.32854	0.3
93.07044	10.4
93.07633	0.5
95.04971	2.4
103.05460	6.3
104.05802	0.3
105.04529	0.9
105.07013	0.8
119.04945	1.1
119.08598	1.0
121.06504	100.0
122.06818	2.2
123.04448	0.4
123.08083	0.3
128.06219	0.3
129.06984	0.4
131.44147	0.3
133.10159	0.6
135.04437	0.6
136.07571	0.4
137.05989	1.1
137.09558	0.3
138.46803	0.3
143.08572	0.3
146.05975	1.4
147.04376	0.4
147.08037	1.0
151.07549	0.8
161.09612	0.6
163.11148	0.3
164.07066	35.0
165.05476	0.2
165.07423	0.9
165.09103	1.1
173.80725	0.2
178.03189	0.3
178.04945	0.8
178.08531	0.4
179.10619	0.4
189.09178	0.3
206.08112	2.1
207.10176	1.9
224.05759	0.3
224.09161	4.2
225.11177	1.1
238.28371	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	224.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16591	0.2
53.03951	2.0
55.01872	0.6
60.23849	0.2
70.57079	0.4
77.03938	0.4
81.03417	0.2
83.08640	0.2
84.04510	0.3
86.38897	0.2
91.05486	7.6
92.05822	0.2
93.07049	13.3
94.07351	0.3
95.04974	2.2
100.11271	0.5
103.05476	9.5
105.04518	0.9
119.04948	0.4
121.06512	100.0
122.06824	2.3
132.52048	0.2
135.04408	0.2
136.78242	0.2
146.06015	0.5
147.04405	0.2
164.07086	3.4
165.07336	0.2
206.86234	0.2
211.72580	0.2
224.06749	0.2
224.09224	0.9
225.07497	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	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03934	1.2
55.05546	0.8
58.06592	3.5
68.05011	1.0
69.75576	0.9
71.28555	1.0
79.05496	5.8
82.06577	0.9
86.95586	0.7
91.05488	10.3
93.07048	1.7
95.05006	1.4
102.14094	0.8
103.05483	13.9
105.07041	37.7
107.04976	5.1
109.02778	0.8
114.38139	0.8
115.05476	1.0
117.03412	0.8
117.06992	1.1
118.06561	13.5
119.04985	1.1
119.07339	1.0
120.08118	22.1
121.06518	7.9
122.06044	1.6
128.06229	6.1
130.06511	3.0
131.04947	3.2
131.07326	3.3
131.08479	0.8
132.08113	2.2
135.04436	1.7
136.07585	2.5
143.08553	3.2
149.06020	1.2
152.07103	1.8
160.11229	100.0
161.11562	3.4
163.03889	7.0
164.07072	3.1
165.10707	0.8
175.03975	3.3
178.12280	87.6
178.77464	0.8
179.12674	2.2
195.06703	0.9
206.11763	12.7
207.06474	1.4
224.05887	1.1
224.06927	0.9
224.09323	7.1
224.12830	25.9
224.14937	1.6
225.04393	1.3
226.04381	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	224.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37436	0.6
53.51039	0.6
55.05515	14.3
55.85160	0.7
58.06606	14.7
65.03933	0.9
67.05510	18.1
69.07070	10.6
71.30125	1.0
79.05492	2.0
81.07061	18.8
83.08624	4.2
93.07064	0.7
95.08613	17.7
97.10166	2.0
98.09708	1.0
109.10156	6.5
120.69601	0.6
123.11722	2.8
137.13263	1.6
154.15903	1.0
167.07028	1.4
179.47954	0.6
180.04185	1.4
183.76395	0.6
195.89418	0.6
224.09067	1.1
224.23743	100.0
225.24051	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	224.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05514	16.4
55.50723	0.3
57.07065	0.9
58.06603	13.8
65.03931	0.4
67.05508	15.8
69.06691	0.5
69.07071	10.8
72.08143	1.1
79.05492	0.9
81.07062	16.4
83.08628	5.2
93.07031	0.7
95.04977	0.4
95.08611	15.0
97.10177	1.4
98.09669	0.5
98.51596	0.3
109.10159	5.9
123.11715	1.8
129.47231	0.3
137.13277	0.8
159.75633	0.4
224.09233	0.8
224.23737	100.0
225.24104	3.6
243.80843	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	225.0758
Annotation	Sepedonin
Peak:m/z	Relative Intensity
50.01583	0.8
50.35702	0.7
51.02377	1.2
51.78478	0.6
53.03940	1.5
55.01869	2.0
55.05517	1.6
65.03949	4.2
67.05495	2.3
68.99754	0.7
69.45645	1.2
69.46038	3.7
71.04976	2.0
77.03922	1.1
79.05488	3.4
81.07059	4.4
83.04976	0.9
89.03945	1.9
90.04710	0.7
91.05486	67.3
91.62170	0.8
92.05807	0.9
93.07048	2.6
94.04201	0.7
95.04974	9.5
95.08584	1.1
97.06557	1.2
97.78322	0.8
98.09704	1.6
98.23393	1.5
99.04449	2.6
103.05484	6.6
105.03386	3.3
105.04485	1.0
105.07030	1.7
107.04951	4.7
107.08610	1.6
108.05782	1.4
109.06532	2.6
109.10130	1.3
115.05463	1.0
117.03380	0.8
118.04173	7.1
119.04952	66.0
119.08573	0.9
121.02847	2.4
121.06509	4.3
121.10111	1.4
122.03604	1.1
123.04455	7.8
129.03348	1.2
130.06502	3.8
131.04890	1.9
131.06889	1.1
132.02122	4.6
132.04462	0.8
133.02838	2.5
133.06555	0.7
133.10219	0.7
134.03633	1.6
135.04390	2.6
135.08115	0.7
136.05244	1.6
137.05972	3.7
140.04716	1.0
145.02838	1.3
145.51044	0.8
146.03618	1.9
147.04417	49.2
149.02342	10.1
149.05998	2.3
149.09538	0.8
150.03043	1.2
151.03857	1.9
151.07573	1.1
153.05504	1.9
154.06523	1.3
155.07054	2.1
157.03992	5.8
157.07619	1.9
158.06078	0.8
161.02324	1.0
162.05557	1.4
163.03874	4.3
164.04701	6.2
164.07022	1.2
165.01862	1.7
165.05449	1.6
167.07040	1.1
167.10660	0.8
169.06424	1.1
169.07622	6.0
170.06042	2.1
174.03104	1.8
175.03917	81.3
176.04276	2.3
177.01866	2.8
179.07071	5.8
179.10576	1.0
180.04208	5.8
182.05797	1.3
183.06606	4.6
192.04196	27.2
193.04980	11.1
195.06551	1.2
197.07234	10.9
198.14862	1.9
207.06528	100.0
208.06628	2.8
210.05055	0.9
225.06577	8.6
225.10980	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.86454	0.9
53.03940	1.4
54.60487	0.8
55.01872	1.2
64.01430	1.0
65.03935	5.5
67.05507	1.7
69.03425	1.1
69.64854	4.8
71.04993	1.7
77.03912	1.7
79.05495	2.4
81.07066	4.6
83.04995	0.9
85.02914	11.8
89.03923	2.7
90.43107	0.9
91.05488	59.7
93.07033	2.5
95.04978	6.5
95.08631	1.3
97.02904	1.0
97.06539	1.2
100.06419	1.0
103.05455	5.5
104.02621	1.1
105.03384	1.9
105.07054	2.0
107.04955	4.2
107.08587	1.0
109.06519	1.6
111.04464	1.3
111.54450	1.0
117.03395	1.3
118.04163	7.6
119.04954	62.1
119.08591	2.2
120.05321	0.9
121.02891	1.9
121.06511	2.1
123.04421	5.1
123.11707	7.7
125.05973	1.1
129.03374	1.1
131.04968	2.9
132.02109	4.7
132.05722	2.5
133.02930	2.4
135.04399	3.5
136.05177	2.1
137.05940	2.5
140.04662	1.5
145.02821	1.5
146.03606	2.3
147.04419	51.9
147.08076	1.0
148.05014	1.0
149.02383	8.4
149.05977	2.3
150.01318	2.4
151.03925	1.5
153.05479	3.2
155.07039	1.4
157.03944	5.3
161.09683	1.1
163.03893	3.0
164.04680	8.8
165.01918	1.1
165.03716	5.3
165.05479	2.8
167.07030	2.8
174.03210	1.6
175.03918	91.7
176.04268	2.2
177.01833	3.1
178.00888	2.0
179.07010	6.1
180.04208	3.6
181.08582	1.1
182.02031	1.1
183.06525	3.0
192.04189	26.4
192.07938	1.7
193.03162	4.0
193.04933	6.2
197.04401	2.1
207.06538	100.0
208.06889	2.0
210.05243	1.5
225.05785	1.5
225.07651	5.2
225.10947	5.2
225.14827	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	225.1122
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03942	5.5
55.01869	6.7
55.05510	21.4
65.55179	2.2
67.05513	20.4
69.03432	8.9
69.07068	9.2
70.55597	5.0
71.04997	8.8
79.05495	21.6
81.07059	18.8
83.04980	25.2
84.04513	4.0
91.05489	21.6
93.07063	9.8
95.04971	15.0
95.08611	9.3
97.06530	8.6
99.04475	14.1
100.11272	13.9
103.05495	2.3
105.07036	27.1
107.04976	21.6
107.08569	6.4
109.06515	12.3
109.10158	44.7
111.04442	22.4
111.08106	3.5
117.07018	4.5
119.08582	23.5
121.06523	9.9
121.09310	2.2
121.10146	5.8
123.04408	2.9
123.08067	2.8
124.56342	2.0
125.05990	5.7
125.09594	2.8
127.07555	2.0
128.06242	11.6
128.17029	2.1
129.07021	4.2
131.08611	3.0
131.21216	2.1
133.06479	3.5
133.10170	25.0
136.02994	2.1
137.05971	4.6
137.09618	57.9
143.08572	17.6
145.10144	3.1
146.07280	8.4
147.08073	26.4
149.09744	2.4
154.12277	6.6
160.72452	2.3
161.09618	100.0
162.10013	2.9
163.11272	3.1
165.09134	51.5
166.09549	2.7
171.08118	2.5
179.10695	15.2
182.84854	2.1
189.09125	12.8
197.11894	2.3
204.06306	2.2
207.10233	16.4
225.11221	18.0
225.15846	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.73484	1.7
55.05517	8.4
57.03427	4.3
57.07060	2.8
59.04992	9.1
65.03938	1.7
67.05506	21.9
69.03417	3.6
69.07067	4.3
70.81267	4.0
71.04987	4.3
79.05518	4.2
81.07050	7.6
83.04979	4.9
84.04483	1.8
85.06533	7.1
91.05469	6.0
93.07031	7.2
95.04968	4.8
95.08607	100.0
97.06550	3.2
97.10178	2.6
97.98698	1.5
101.06016	3.9
105.07043	7.6
105.66251	1.5
107.04948	3.6
107.08592	8.3
109.06513	5.0
109.10162	2.6
113.06023	8.9
115.02241	1.7
119.04961	4.7
119.08575	16.5
121.06551	2.5
121.10139	6.5
123.08076	33.6
123.11726	3.4
123.64301	1.6
125.05987	2.1
133.10156	3.4
135.11696	11.4
136.62961	1.7
137.05949	3.0
137.09624	3.0
140.10670	2.8
141.09061	5.4
147.04382	2.3
147.08080	4.0
147.11740	2.3
148.51360	1.6
149.09627	10.7
151.07516	2.0
151.14842	3.5
161.09596	4.6
161.13243	5.9
163.11140	2.4
165.09103	6.3
165.12753	2.9
175.03854	5.0
179.14319	5.3
189.12775	3.1
198.14822	1.9
207.06502	6.9
207.10260	3.8
207.13802	11.1
225.04095	2.0
225.11140	2.9
225.14865	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	225.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05517	7.7
56.38353	1.2
57.03415	1.4
57.07069	2.0
59.04994	3.0
67.05495	7.0
69.07085	2.5
69.32375	7.2
71.04997	40.7
79.05492	5.3
81.03426	2.9
81.07055	15.0
83.04970	3.9
83.08625	8.1
85.02908	50.0
85.06513	1.2
87.04487	1.8
91.05503	5.2
93.07053	7.1
95.04979	2.6
95.08599	13.8
97.06537	5.4
97.10141	1.2
99.04458	100.0
105.07030	8.5
107.08598	54.3
109.06521	21.7
109.10140	2.7
111.08099	2.2
113.09642	4.8
119.08570	2.8
121.10141	30.6
123.08074	42.0
123.08943	2.4
123.11705	30.0
123.12564	1.9
125.05961	1.5
125.09639	17.1
131.08577	3.4
133.10162	2.4
133.19402	1.2
137.09599	1.6
139.11166	12.4
141.12721	2.3
147.11705	6.2
149.09627	25.5
151.07637	1.5
163.11166	1.9
165.07024	1.4
165.12764	9.9
167.10683	32.6
169.10159	2.2
183.13800	30.6
189.12784	4.1
197.13364	1.5
207.13823	2.1
225.04091	1.3
225.12724	2.3
225.14774	13.9
225.18410	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03956	0.7
55.01862	1.4
55.05515	6.2
55.16360	0.5
57.03444	0.9
57.07066	1.0
59.05001	1.0
61.02943	0.7
67.05522	3.5
69.03429	2.1
69.07066	1.6
69.18491	3.8
71.04998	43.1
73.89839	0.5
74.78717	0.6
76.40791	0.6
79.05508	4.4
81.03419	1.4
81.07056	7.6
83.04987	3.6
83.08618	5.6
85.02917	4.1
85.06552	1.7
91.05503	5.4
93.07056	4.5
95.04975	2.5
95.08605	7.8
97.02863	0.6
97.06535	2.4
98.09736	0.6
99.04461	100.0
99.08092	0.8
100.04801	1.3
103.05481	0.8
105.07037	6.6
107.04955	1.8
107.08598	33.4
109.06526	22.9
109.10159	2.5
113.09648	4.1
117.07014	1.4
119.04974	1.0
119.08574	4.7
121.06520	2.1
121.10149	14.0
123.04414	1.9
123.08078	16.3
123.10815	0.8
123.11707	13.8
123.12567	1.0
124.08469	0.7
125.05996	1.4
125.09647	7.2
127.03907	0.7
129.06985	0.9
131.08575	2.0
133.10138	1.5
135.08060	1.1
137.06015	1.6
137.09621	2.1
137.13303	1.4
139.11209	2.6
141.12770	1.8
143.08524	1.2
145.10173	0.9
147.04439	0.7
147.08066	2.5
147.11687	5.8
149.09627	16.1
151.07553	2.3
161.09625	2.2
161.13319	1.6
163.11229	1.0
165.05516	0.9
165.09152	2.9
165.12773	7.7
167.06999	0.6
167.10695	24.6
171.11696	1.0
175.03992	0.8
179.07031	1.2
179.10719	0.8
179.14357	2.0
179.15976	0.5
181.08617	1.8
183.06470	0.8
183.13818	28.1
184.14157	0.9
189.09029	1.1
189.12782	2.2
193.04968	0.7
207.06529	1.0
207.10214	3.2
207.13792	5.2
225.07509	0.8
225.11189	1.8
225.14838	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	225.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01869	1.5
55.05508	2.6
57.07068	1.9
65.03951	3.7
67.05521	6.2
69.03435	2.2
70.16484	3.1
77.03947	1.5
78.80666	1.0
79.05499	7.0
81.07066	18.0
83.04992	1.6
85.02910	100.0
89.03917	1.7
91.05488	62.8
93.07040	5.2
95.04984	3.6
95.08643	3.7
97.06535	1.5
98.22635	1.7
103.05467	2.8
105.03374	1.7
105.07023	10.4
107.04967	2.5
107.08601	7.9
108.05663	1.2
109.06512	2.3
109.10144	7.5
111.04457	1.0
117.07039	1.8
117.09680	0.9
118.04194	6.2
119.04951	56.3
119.08593	15.8
120.05275	1.5
121.02935	2.0
121.06493	1.6
121.10164	10.0
123.04424	2.7
123.08139	1.6
123.11713	66.4
125.06021	5.5
125.09643	2.4
128.06224	2.0
129.03384	1.1
129.06979	3.0
131.08580	2.0
132.02110	3.9
133.02863	2.3
133.06473	1.5
133.10152	7.0
135.04413	1.7
135.11685	1.9
136.05159	2.5
137.06023	1.6
137.09616	1.6
141.05464	1.6
143.08574	4.8
145.02849	1.3
145.10110	3.7
146.03625	2.3
146.48207	1.1
147.04419	48.9
147.08067	12.1
147.11688	2.2
148.04787	1.3
149.02361	8.1
149.09631	8.4
150.19490	1.1
151.07587	2.2
154.73520	1.2
157.03983	5.6
161.05992	2.2
161.09668	4.5
163.03923	1.3
163.11122	2.4
164.04704	7.0
165.05490	1.8
165.09061	2.1
167.10699	1.4
169.08633	1.1
174.03180	1.0
175.03911	68.7
176.04298	2.2
177.01877	2.7
179.07053	4.3
179.10722	3.3
181.12234	1.4
186.32520	1.2
189.09103	4.8
189.12750	3.5
192.04184	26.1
193.04848	1.7
195.10249	3.2
207.06540	77.5
207.10033	14.2
207.13786	12.0
208.06958	2.1
225.07703	1.7
225.11234	8.3
225.14828	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	225.1485
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
55.01871	1.7
55.05518	3.4
57.03445	1.6
57.07064	2.2
59.05013	3.6
59.11568	2.1
67.05524	10.0
69.03434	50.6
69.07069	5.5
71.05006	7.1
71.29532	1.6
71.29926	1.5
79.05499	6.4
81.03441	1.7
81.07066	12.6
83.04989	9.9
83.08617	2.2
85.02926	4.5
85.06540	2.5
87.04475	34.7
89.55563	1.6
90.13808	1.4
91.05480	5.3
93.07040	10.1
95.04974	2.8
95.08624	17.6
97.06545	6.4
99.04461	6.0
105.07044	7.9
107.08617	8.7
109.06535	4.4
109.10166	18.4
111.04454	1.5
111.08048	1.8
119.08576	5.3
121.06512	3.0
121.10159	31.3
123.04446	1.5
123.07323	1.8
123.08073	7.5
123.11689	2.9
125.09628	3.0
127.07706	1.9
133.10167	2.4
137.09642	5.9
137.13348	1.6
139.11186	100.0
141.07085	1.6
145.10158	1.8
147.08052	2.6
147.11778	2.6
149.09604	10.5
151.07579	4.6
152.52829	1.4
161.09654	4.2
161.13309	1.6
163.11243	2.8
163.47166	1.3
165.09151	5.0
165.12784	2.8
167.10681	3.6
169.08606	3.4
175.10977	1.4
188.53905	1.3
189.12770	4.2
207.10138	1.8
207.13872	5.8
214.13943	1.5
225.12906	2.0
225.14917	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	225.1487
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03957	1.3
55.01886	1.0
55.05513	2.9
57.03443	2.5
57.07078	4.6
57.52616	0.6
59.05013	1.8
63.00053	0.9
64.99758	0.6
65.32842	0.5
67.05512	5.0
69.03390	5.4
69.07076	4.4
69.13050	0.4
71.05006	1.9
71.90233	0.5
77.03959	0.8
79.05497	6.8
81.03424	4.3
81.07057	8.5
83.04988	24.7
83.08634	1.0
85.02914	10.4
85.06557	2.3
87.16714	0.5
91.05491	4.0
93.06489	0.7
93.07052	8.3
95.04994	4.5
95.08612	11.2
95.09162	0.8
97.02910	0.7
97.06534	15.7
98.22619	0.9
98.88680	0.5
98.98461	1.0
99.04447	0.9
105.07043	9.8
107.04972	1.7
107.08602	10.1
107.09287	0.7
108.05734	0.7
109.05899	0.5
109.06524	3.2
109.10155	1.5
111.08106	1.7
117.07021	1.9
119.08588	7.1
121.06517	2.7
121.10157	11.0
123.04421	0.6
123.08082	17.7
123.11688	3.4
125.06004	52.0
126.06398	0.8
127.07610	0.6
129.07040	0.5
130.07826	1.4
131.08604	0.8
133.06494	0.6
133.10158	2.0
135.08076	1.1
135.11719	4.3
137.09662	0.9
137.13268	0.8
139.07530	4.1
141.09053	0.7
143.08626	0.8
145.10139	7.2
147.08099	0.8
147.11713	7.9
148.08868	0.6
149.09639	2.2
151.07552	22.9
151.11079	0.8
161.13287	2.8
163.11192	100.0
164.11555	2.3
165.05511	0.7
165.12776	4.2
166.05019	1.4
167.10654	0.8
169.08681	1.3
171.11687	0.7
171.91908	0.5
179.14279	0.9
180.06560	0.5
181.12228	10.6
186.17291	0.5
189.12692	2.9
194.04556	0.7
198.24391	0.5
207.06564	0.6
207.13828	8.6
225.14853	24.4
226.15092	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03955	2.1
55.01854	4.2
55.05503	8.6
57.07063	5.6
59.04998	1.7
67.05508	24.3
69.03427	22.8
69.07068	17.3
69.32184	9.8
70.84290	1.7
71.04996	8.3
79.05492	12.2
81.03422	2.6
81.06593	2.0
81.07059	35.8
83.04980	14.8
83.08623	2.6
84.90681	1.7
85.02891	1.7
85.06538	10.9
86.09690	1.8
91.05488	11.7
93.07050	10.0
95.04955	5.1
95.08611	38.6
97.06541	8.0
99.04452	3.7
99.08096	1.9
104.39387	1.6
105.07040	12.2
107.04974	1.8
107.08588	14.2
108.05650	1.9
109.02833	1.9
109.06541	17.5
109.10164	13.8
111.04475	1.6
111.08074	9.1
113.05982	2.7
113.83717	1.8
119.08589	16.6
121.06474	2.9
121.10148	36.0
121.63844	1.7
123.04344	2.0
123.08067	60.0
123.11703	18.0
125.05958	2.0
125.09623	6.2
127.07579	4.3
133.06506	7.7
133.10121	14.0
135.08076	3.5
135.11699	14.9
136.08836	4.7
137.05957	7.4
137.09596	7.0
137.13242	6.3
139.11247	3.6
141.09108	5.1
147.08020	2.3
147.11673	10.8
147.30904	1.5
149.09622	11.1
151.07544	27.7
151.11183	96.0
152.11497	2.9
156.09357	2.9
159.08038	3.1
161.09647	2.5
161.13237	21.5
163.11171	24.4
165.09076	1.6
165.12759	42.0
171.11703	2.6
174.10402	6.2
179.14272	19.9
181.12222	2.9
189.12743	25.4
190.13205	1.8
207.13800	42.7
225.14851	100.0
225.18419	4.9
226.15199	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	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03966	2.7
55.01873	2.6
55.05513	11.1
57.03448	14.0
57.07072	3.6
59.04990	1.6
67.05513	14.3
69.03441	7.5
69.07077	21.0
70.43414	3.3
71.01395	1.3
71.04994	25.3
76.11370	1.2
79.05501	13.0
81.03416	1.6
81.07061	46.2
83.04987	17.3
83.08617	5.9
85.02911	100.0
85.06537	9.5
86.60162	1.3
91.05481	9.6
93.07042	23.8
95.04980	5.3
95.08613	36.7
97.02962	2.0
97.06533	25.1
98.22741	1.2
99.04463	47.1
99.05115	2.8
99.08075	5.8
105.07041	30.4
107.08600	32.7
107.09295	2.2
109.06524	16.9
109.10184	5.6
111.08089	18.5
113.09653	2.1
117.07047	2.5
119.04955	1.7
119.08581	25.8
120.17148	1.3
121.06517	1.8
121.10151	23.5
123.08072	30.7
123.11708	21.9
123.12572	1.9
125.05979	2.2
125.09664	4.0
127.07565	6.2
131.08582	2.0
133.10149	4.2
135.08125	2.6
135.11711	2.5
137.09636	3.1
137.13293	4.2
139.07552	7.1
139.11182	6.6
141.09135	2.5
141.12773	2.1
143.08669	1.5
145.10147	3.3
147.11694	43.4
148.12044	1.5
149.09645	7.6
151.07588	2.1
151.11212	3.1
155.10699	3.5
161.09642	1.6
161.13272	10.8
163.11227	4.1
165.09158	3.6
165.11374	1.6
165.12764	30.9
167.10648	7.9
170.14224	1.2
171.11723	2.2
179.14311	8.4
181.12175	1.7
183.13802	8.8
189.12712	6.2
207.06560	1.7
207.13831	22.7
208.14224	1.4
225.04402	1.4
225.09114	2.0
225.12692	2.7
225.14804	21.6
226.08824	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	225.1487
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
50.72946	1.6
53.03942	4.2
55.01871	4.9
55.05516	37.2
57.03433	5.4
57.07070	1.8
67.05508	33.2
68.16020	1.4
69.03441	7.4
69.07072	11.5
71.04981	5.9
71.29919	2.9
79.05501	25.4
81.03422	100.0
81.07061	36.8
83.04987	32.5
83.08146	2.4
83.08620	31.9
85.02933	2.2
85.06562	4.4
91.05488	29.6
93.07043	14.6
95.04973	39.2
95.08603	15.7
97.02865	3.6
97.06522	5.0
97.10160	7.4
99.04483	1.9
105.07040	22.5
107.04948	6.9
107.08624	9.0
109.06549	8.8
109.10134	2.5
111.04421	3.1
111.08078	15.1
113.05988	1.5
119.08581	15.6
121.06519	2.8
121.10170	10.1
123.08110	2.5
129.06993	11.8
131.08583	13.5
133.06497	3.8
133.10130	13.4
137.09624	3.4
142.07779	3.1
147.08031	4.4
147.11691	12.6
149.09636	9.1
157.10172	15.8
161.13245	2.7
161.83900	1.7
175.11188	15.6
193.12257	45.2
193.14020	2.2
202.51474	1.6
208.09669	1.9
225.09224	1.7
225.14763	4.1
225.20338	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	226.253
Annotation	(2R-trans)-2-Butyl-5-heptyl-pyrrolidine
Peak:m/z	Relative Intensity
55.00153	0.6
55.05518	17.0
57.07088	3.9
58.06604	13.8
59.21400	0.6
67.05497	1.1
68.43568	0.7
69.07073	22.4
71.08624	2.1
72.08142	1.2
81.07064	0.7
82.36547	0.7
83.08627	12.7
85.10178	0.7
91.05476	1.1
97.10181	7.6
100.11258	1.9
107.08595	0.7
111.11723	1.3
148.21690	0.7
156.17494	4.0
167.07042	1.1
209.35587	0.8
226.15236	5.0
226.25314	100.0
227.25693	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.8
55.01877	10.4
55.05511	13.6
58.61709	4.4
60.39169	4.5
65.03941	5.2
67.05500	9.0
69.07068	6.1
71.05003	5.3
71.30192	5.0
71.30721	4.5
73.02917	9.6
77.92920	4.8
79.05500	8.1
81.07061	10.0
83.08633	6.7
90.92435	4.6
91.05488	9.4
93.07045	9.3
95.04946	6.3
96.00610	33.3
96.36263	4.4
97.02910	5.4
100.11250	19.4
105.13221	4.6
111.05582	4.9
121.06485	18.6
123.04426	15.8
131.04875	5.7
137.06000	9.3
138.06311	12.3
140.04689	21.5
149.05966	11.2
149.09628	7.7
155.07028	16.2
167.07054	86.9
171.11693	5.0
177.05499	22.8
181.04965	33.8
182.05832	32.6
195.06607	6.7
209.08063	10.1
210.05246	27.2
210.07365	5.2
227.07953	100.0
227.10201	10.9
227.17746	8.1
227.19902	6.2
228.23091	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	227.0916
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
53.03941	1.6
55.01875	5.0
56.66565	0.6
65.03942	6.6
67.05503	2.7
69.03432	1.1
69.15379	5.0
73.02920	39.4
82.04207	4.0
85.02913	4.2
91.05500	1.4
93.03392	1.2
93.07029	0.7
95.04977	6.3
97.02868	1.0
97.06549	2.1
100.11259	0.9
103.05474	0.6
107.04945	0.8
108.02100	1.7
110.03672	5.2
111.04436	0.8
121.06518	1.7
123.04435	10.4
125.02373	2.9
125.05999	3.0
138.03102	2.3
140.04691	50.8
141.05054	0.9
142.02625	2.9
147.04417	0.7
148.31148	0.6
149.06062	0.6
153.05446	4.7
155.07033	62.7
156.07353	1.2
166.06342	0.7
167.07076	1.4
171.06522	4.5
173.08151	4.4
179.07068	3.0
181.04965	100.0
181.98602	0.6
182.05321	2.1
209.08093	18.0
209.10092	0.9
227.09158	15.1
239.79872	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.00311	0.9
53.03947	1.7
55.01872	7.1
55.05513	2.1
57.03442	10.7
60.31764	0.8
65.03942	7.5
67.05505	4.4
69.03433	1.4
71.04977	1.7
71.29716	1.0
73.02509	2.0
73.02920	36.4
78.04726	0.9
79.05493	2.6
79.80841	0.8
81.07056	1.4
82.04200	1.9
83.04971	1.0
83.08645	1.3
85.02908	3.9
85.06559	2.3
91.03957	1.0
91.05486	3.9
93.03423	3.2
93.07068	2.7
95.04973	7.3
95.08636	1.8
97.06545	2.9
99.04483	1.2
100.11258	7.2
103.05473	2.0
105.07047	1.9
105.11247	0.9
107.04984	2.3
107.08610	1.7
108.02103	1.3
109.10175	1.3
110.03658	4.2
111.04463	1.6
121.06495	4.3
121.10164	2.1
123.04451	9.8
123.08068	0.8
125.02370	3.1
125.06019	3.3
137.05997	1.9
138.03145	2.0
139.03856	1.1
140.04688	52.5
142.02637	3.6
148.05208	1.0
149.06023	3.3
153.01826	1.5
153.05450	2.7
155.07037	51.0
156.07379	1.7
163.11234	1.0
166.06252	1.1
167.07048	13.3
167.08382	1.2
167.10677	0.8
171.06535	4.7
173.08081	4.5
177.05531	2.9
179.03418	1.6
179.07065	2.8
181.04962	100.0
181.08557	3.6
182.05377	2.3
194.05775	5.4
195.06602	1.3
209.08069	21.1
209.16728	1.3
227.07109	0.7
227.09100	19.9
227.17795	1.5
228.04025	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	227.0914
Annotation	Dunnisinin
Peak:m/z	Relative Intensity
55.01874	1.2
55.05501	2.9
57.03444	100.0
58.03784	1.3
67.05489	1.4
69.07057	1.0
71.04979	1.5
73.02907	1.6
75.34830	1.1
79.05503	2.4
81.07052	1.0
81.26752	0.9
82.06516	1.2
83.08614	1.2
83.55715	1.0
85.06548	1.4
91.05475	4.4
93.07038	2.5
95.04977	1.1
95.08614	1.6
99.04456	2.7
100.11275	8.7
103.05485	2.7
105.03333	1.1
106.04198	1.3
107.04928	1.5
107.08593	1.4
109.61917	0.9
115.27860	1.0
121.06499	5.0
123.04452	2.2
124.05170	1.4
125.02381	1.2
131.04964	2.5
134.03668	1.4
135.04379	1.1
136.10023	1.1
137.06001	3.2
139.03922	6.9
140.04677	1.9
149.04865	1.1
149.06012	4.6
151.03896	3.2
153.01834	3.8
153.05446	1.4
155.07068	1.9
156.04208	3.3
159.04393	2.0
167.07056	34.6
171.06543	16.7
172.07629	1.9
177.05510	9.9
179.03400	21.1
181.04950	4.0
183.02884	3.3
194.05765	59.7
195.06314	2.0
209.08087	12.3
209.16507	1.5
227.09148	81.8
227.17651	2.1
228.06584	1.4
228.09610	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03936	2.2
53.76351	0.7
55.01871	5.6
55.05505	1.4
57.03441	0.9
62.75628	0.5
65.03937	7.7
67.05506	4.4
68.05029	0.9
69.03418	2.2
69.07058	1.4
71.04997	1.2
71.28542	0.9
73.02920	35.2
77.03902	0.6
79.05492	2.7
81.03399	1.3
81.07058	2.0
82.04195	2.8
82.06552	0.6
83.04978	1.6
83.08648	0.6
85.02901	5.0
85.06524	1.4
86.09705	4.6
87.04449	0.7
91.05492	3.7
93.03400	2.7
93.07057	3.0
95.04977	8.2
95.08598	0.8
97.02884	1.2
97.06529	3.3
99.11565	0.6
100.11254	0.9
101.06015	0.6
103.05455	1.5
104.03766	0.6
105.07030	1.6
107.04964	4.5
107.08580	1.6
108.02084	1.7
109.06534	1.5
110.03667	4.3
111.04429	2.5
119.08640	0.7
121.06518	4.1
121.10146	1.3
123.04424	9.3
123.08022	0.7
125.02344	3.1
125.05984	2.5
125.09573	0.8
131.04875	0.8
131.08556	1.1
135.08055	0.7
137.05952	1.5
138.03119	2.2
139.07596	0.7
140.04684	50.0
141.05086	1.4
142.02618	3.5
145.10188	1.0
149.05956	2.3
149.09627	1.5
153.05452	2.5
155.07034	55.3
156.07376	1.0
163.11177	0.7
165.05467	0.7
166.06421	0.7
167.07024	7.7
169.34090	0.6
171.06566	4.9
173.08116	4.2
177.05528	2.1
179.07054	2.7
181.04961	100.0
182.05299	2.8
183.06470	0.7
191.10638	1.4
205.92114	0.6
209.08084	21.1
209.11330	1.0
209.37073	0.7
210.08353	0.7
227.06918	0.6
227.09119	12.7
227.12454	1.1
228.10234	1.3
228.12303	1.4
249.71368	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03944	1.7
55.01876	5.1
56.11288	0.8
65.03654	0.9
65.03947	8.1
67.05496	2.2
69.03406	1.0
69.15202	4.5
69.15625	2.4
73.02919	38.1
78.10549	0.8
82.04203	2.0
85.02893	4.2
91.05463	2.3
93.03401	1.6
95.04982	5.1
97.06538	2.4
100.11227	0.9
108.02117	1.1
110.03659	4.7
121.06556	1.7
123.04448	7.7
125.02328	3.8
125.05971	2.3
126.65892	0.8
138.03120	2.3
140.04688	53.2
142.02621	2.9
149.06061	0.8
153.05403	4.3
155.07030	52.9
156.07219	0.8
166.06241	1.4
167.07079	2.4
171.06541	3.2
173.08083	2.2
179.07056	3.0
181.04955	100.0
181.08513	3.1
182.05237	2.3
209.08095	19.8
227.09142	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03941	1.5
54.74341	0.5
55.01875	6.3
55.05508	1.8
57.03435	0.7
57.07066	1.8
62.46687	0.5
65.03944	6.2
67.05505	10.0
69.03432	1.3
69.07065	3.3
70.33308	1.5
71.04982	5.0
73.02921	37.3
76.66531	0.6
77.03958	0.6
79.05499	8.9
80.72343	0.5
81.03384	0.6
81.07049	2.6
82.04198	3.1
83.04983	2.6
85.02916	4.6
85.06546	26.3
86.09700	0.7
91.05482	6.7
93.03394	2.1
93.07050	7.5
95.04970	6.7
95.08586	0.5
97.02909	1.0
97.06533	4.0
99.04460	0.9
99.08111	1.2
100.11273	2.5
103.05441	1.2
105.07033	5.9
107.04957	4.0
107.08597	7.5
108.02051	1.1
109.06551	2.4
110.03660	4.5
111.04430	3.9
117.07009	1.5
119.04950	0.5
119.08579	4.8
121.06522	5.7
121.10140	5.2
123.00789	0.5
123.04441	9.0
123.08063	0.8
125.02342	2.5
125.06007	4.5
129.07011	1.8
131.08571	17.5
135.11699	1.6
137.05913	0.5
137.09630	2.2
138.03130	1.7
139.03928	0.7
139.07527	0.6
140.04686	52.9
141.05025	1.2
141.14946	0.5
142.02629	3.1
145.10129	6.9
147.08060	1.6
149.06001	1.2
149.09621	19.7
153.05464	4.1
155.07031	59.6
156.07405	1.4
163.07518	0.6
163.11179	6.4
165.09146	2.1
167.07054	1.9
167.10655	9.2
171.06523	4.7
173.08099	2.8
173.09653	2.2
179.07057	3.1
179.10716	0.8
181.04961	100.0
182.05350	2.1
182.08815	0.5
191.10675	12.8
209.08101	17.7
209.11713	12.3
227.09183	12.8
227.12703	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	227.1279
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.30359	0.9
53.03932	1.3
54.15632	0.9
55.01874	33.4
55.05512	6.3
57.03445	2.5
57.07071	4.9
59.86173	1.0
65.03952	0.9
65.73246	0.8
67.05509	14.4
67.88836	0.9
69.03432	4.2
69.07072	19.6
70.06606	2.0
71.04662	1.1
71.04995	6.4
71.29478	0.9
79.05495	13.9
81.03440	1.0
81.07059	12.3
83.04984	2.3
83.08622	1.0
85.06553	23.2
86.09737	1.8
91.05486	7.9
93.07047	19.7
95.04959	5.5
95.08611	26.5
97.06537	19.7
97.41374	0.9
98.93652	0.9
99.04442	5.6
100.11286	3.3
103.05434	1.0
105.07037	16.7
107.04971	2.7
107.08601	41.2
109.06530	10.3
109.10167	1.9
111.04471	1.7
111.08073	2.0
113.06004	6.7
117.07047	1.8
119.08569	5.5
121.06516	7.9
121.10144	15.7
123.08070	16.3
125.06024	1.4
129.07008	1.2
131.08571	6.0
133.06558	1.4
135.08089	3.0
135.11703	6.1
139.07587	1.1
139.11203	2.7
141.05489	1.2
142.04984	1.0
143.08641	1.2
145.10132	10.4
147.11722	1.8
149.05966	1.2
149.09633	8.0
149.13251	1.3
151.07549	14.0
157.08717	1.2
163.11191	26.3
165.09160	1.4
167.07054	2.3
167.10667	10.9
169.08609	100.0
170.09030	3.0
171.08086	1.3
173.09659	3.8
181.12228	10.8
185.09624	1.1
185.11691	1.4
191.10680	10.7
193.52235	0.9
199.14856	1.1
209.11752	9.5
227.10484	2.5
227.12561	8.9
228.12468	1.1
228.23297	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.60769	1.0
53.03942	1.8
55.01875	1.3
55.05512	5.0
57.03442	1.1
57.07059	2.9
58.46711	0.9
59.04987	2.4
65.03915	1.0
67.05503	5.1
69.03426	2.4
69.07060	2.4
70.18901	3.0
72.95454	1.1
74.33407	1.0
75.04495	1.6
79.05494	18.7
81.03435	1.0
81.07059	20.5
85.06546	2.1
91.05485	13.2
93.07049	54.1
95.04955	3.3
95.08611	6.4
97.06517	4.2
100.11256	1.9
100.58978	0.9
103.05480	1.5
105.07031	17.1
107.04948	1.7
107.08601	17.3
109.06497	1.2
110.17953	1.1
111.04429	2.9
111.08070	5.1
113.05960	1.2
116.40399	1.0
118.19669	1.0
119.08583	2.9
121.06525	1.9
121.10146	100.0
122.10508	1.4
123.08059	3.9
123.11718	8.8
123.19707	1.0
125.05991	4.6
129.07104	1.0
131.08591	8.2
133.07652	1.4
139.11180	13.1
141.79738	1.3
145.10123	2.1
149.09621	12.5
167.10651	5.2
171.11842	1.3
172.78261	1.1
190.55373	1.0
191.10747	1.5
192.40697	1.0
209.11873	1.1
227.19971	1.3
228.23259	1.3
246.55377	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01875	3.4
55.05504	2.4
57.03439	2.5
57.07067	7.5
57.65375	1.7
62.24417	1.1
62.30852	1.2
65.03942	2.7
67.05505	31.8
68.96281	1.1
69.07067	4.6
71.05000	16.4
79.05494	31.7
81.03449	1.3
81.07066	5.9
82.14796	1.2
83.04979	12.0
85.06544	100.0
86.09708	1.3
88.87583	1.1
91.05480	20.1
91.06007	1.5
93.07041	24.3
95.04974	6.3
97.06539	4.6
98.23366	3.0
99.08091	3.5
105.07021	20.7
107.04948	12.1
107.08603	34.0
109.06511	6.9
111.04445	12.8
115.05478	1.3
116.06261	1.4
117.07020	7.6
118.51155	1.3
119.08581	18.9
121.06505	14.7
121.10147	22.3
123.04407	2.2
123.08090	1.9
125.06006	7.5
129.07007	6.7
130.07790	1.9
131.08566	74.7
132.08893	1.7
133.10156	2.2
135.08119	2.1
135.11702	5.3
137.09595	8.5
143.08591	1.8
145.06360	1.7
145.10123	28.0
147.08018	7.1
149.06015	1.9
149.09621	77.6
153.05490	4.7
155.07092	1.9
155.08583	2.1
162.88832	1.3
163.07536	3.8
163.11194	24.7
165.09122	11.4
167.07031	2.0
167.10675	31.2
167.12059	2.1
173.09628	9.3
179.10660	2.6
191.10669	54.3
197.11659	2.0
209.11734	47.3
227.12752	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03948	2.1
55.01875	34.2
55.05508	5.6
57.03440	3.6
57.07076	7.8
66.57990	1.2
67.05511	18.1
69.03428	3.9
69.07076	20.8
69.68375	5.5
71.04990	7.8
79.05492	11.9
81.07063	12.2
83.04990	3.1
85.06549	27.2
91.05476	5.1
93.07043	20.6
95.04971	5.0
95.08607	27.7
97.06535	22.3
99.04461	6.4
100.11270	4.9
105.07032	16.0
107.04922	1.7
107.08601	39.3
109.06522	11.7
109.10160	2.7
111.08135	2.1
113.06039	8.5
117.06999	3.0
117.76450	1.5
119.08585	4.9
121.06536	8.6
121.10154	15.1
123.08080	17.7
123.34106	1.6
125.06001	2.3
131.08589	3.9
133.06526	1.9
135.08055	2.1
135.11671	7.8
139.11201	1.9
145.10130	13.0
149.09576	8.5
151.07550	16.6
157.10233	2.0
163.11188	34.3
163.12495	2.3
167.10664	7.2
169.08609	100.0
170.08995	2.5
173.09625	3.7
181.12248	12.3
191.10660	18.2
209.11722	14.0
227.10614	3.0
227.12807	8.7
227.17914	2.5
228.10268	2.6
228.12308	1.6
244.51866	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	227.1279
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01870	15.8
55.05517	43.2
67.05518	47.2
69.07066	18.1
71.04977	17.8
71.08635	7.4
71.29753	6.6
79.05482	43.9
81.03431	8.7
81.07060	54.5
83.08618	15.6
85.02872	7.1
85.06548	25.0
91.05466	17.1
93.07033	53.3
95.04973	17.6
95.08619	45.4
97.06536	8.1
99.04476	11.9
100.11259	35.4
105.07043	26.6
107.04953	23.5
107.08585	61.2
109.06510	7.3
109.10140	10.2
115.05500	7.1
117.07004	12.0
119.08566	22.5
121.06522	22.8
121.10130	31.9
125.07259	7.4
125.09674	9.6
129.07066	7.7
129.85013	8.5
131.08583	20.6
133.10072	8.1
135.07994	8.8
135.11705	63.4
143.08533	10.6
145.10152	44.3
149.09621	13.4
163.11176	100.0
167.07018	11.1
167.10695	11.2
171.11760	9.5
181.12233	28.6
191.08151	9.1
191.10669	17.7
209.11746	20.8
227.04076	8.0
227.10710	12.3
227.12747	83.5
227.14455	7.4
227.17870	14.5
228.10229	12.5
228.12392	13.1
228.23299	9.4
245.74522	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03941	1.4
54.00068	1.4
54.24634	1.3
55.01873	2.0
55.05519	3.3
56.16453	1.3
57.03424	1.8
57.07068	5.0
64.29932	1.3
67.05509	24.9
67.70300	1.3
69.07054	5.7
71.04992	16.2
79.05496	26.2
81.07047	6.6
83.04971	8.5
85.06546	100.0
91.04973	1.8
91.05487	20.3
93.07045	21.9
95.04950	5.2
95.08611	1.9
95.54029	1.3
97.06546	3.7
97.08904	1.4
99.08073	4.2
100.26362	1.3
103.05489	1.7
105.07045	18.7
107.04955	10.3
107.08595	26.8
109.06525	5.1
111.04440	14.6
117.07027	7.0
119.08580	14.9
121.06509	15.4
121.10146	22.2
123.04420	3.1
123.08080	2.9
125.05967	6.7
129.07024	4.5
129.60336	1.4
130.07759	1.6
131.08572	63.5
132.08824	1.8
135.08093	1.6
135.11700	5.5
137.09598	5.3
143.07036	1.9
145.06468	2.5
145.10127	27.5
147.08084	4.5
149.09625	61.0
150.10110	1.4
153.05486	5.5
163.07585	2.9
163.11186	25.6
165.09114	10.4
167.10692	27.8
173.09618	8.1
179.10550	2.4
188.74071	1.7
191.10674	54.8
192.11002	2.1
209.11740	42.1
227.12769	17.0
229.32184	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	227.1279
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
53.03949	2.3
55.01867	4.3
55.05514	17.9
57.03442	2.6
59.05011	3.2
67.05499	8.2
68.99789	8.9
69.03427	4.6
69.07055	5.7
71.05002	5.8
71.28010	1.7
71.28410	1.9
71.87988	1.8
79.05484	10.9
81.07061	20.9
83.04972	5.9
83.08626	45.2
85.06547	7.2
85.10186	5.9
91.05489	34.4
93.07053	15.8
95.04977	35.1
95.08581	1.8
97.10175	2.6
99.04468	3.2
100.11259	8.4
101.02383	9.2
105.07047	5.4
107.04976	4.1
107.08603	60.9
109.06525	36.2
109.10170	15.8
111.04468	6.9
111.08084	100.0
119.03405	5.2
119.08613	3.3
121.06487	3.2
121.10143	3.2
125.09647	20.2
127.07578	4.3
131.08583	6.5
135.08078	15.8
137.06015	9.1
145.10094	2.9
146.70419	2.0
149.09630	15.4
151.07535	7.3
153.09105	66.3
153.10323	4.1
155.07036	8.2
160.75522	1.9
163.11104	2.4
167.10721	8.1
169.08614	72.6
171.11642	2.5
177.09070	2.7
185.11726	21.9
191.10602	4.0
195.10179	55.1
201.65869	2.0
209.11801	4.4
227.07169	2.3
227.10553	4.4
227.12605	3.9
227.17775	2.9
228.10330	3.2
248.66026	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.14936	0.9
51.68886	0.8
53.03936	1.8
54.29212	0.8
55.01854	1.7
55.05515	6.7
57.03439	5.6
57.07059	4.4
59.05003	6.8
65.03920	1.7
65.67493	0.9
67.05505	11.7
69.03413	3.0
69.07066	14.2
70.06569	1.2
71.04993	25.6
71.18909	0.9
72.14426	0.8
73.02918	5.7
73.06551	1.9
75.04443	1.2
75.80673	1.0
79.05487	10.1
81.03384	1.4
81.07062	16.2
83.04980	5.5
83.08617	3.7
85.06077	1.4
85.06547	19.9
86.09706	8.3
91.05476	10.4
91.97367	1.1
93.07047	26.7
93.07624	1.6
94.07391	1.3
95.04970	100.0
95.08612	14.2
96.05303	2.3
96.36832	1.2
97.03985	1.3
97.06538	22.3
97.10168	3.4
99.04447	13.8
99.08096	35.9
99.08751	1.8
100.11269	2.7
101.06005	1.1
105.07024	15.0
107.04953	2.8
107.08595	25.7
109.06522	18.6
109.10155	11.0
111.04442	1.4
111.08074	6.7
113.05999	2.2
113.09644	2.5
115.07570	11.5
117.07028	1.5
119.08588	8.8
121.06514	2.9
121.10146	25.2
123.04461	2.1
123.08038	3.9
123.11714	6.4
125.06018	1.8
125.09624	9.7
127.07564	17.2
129.06998	1.5
131.08574	14.3
133.10124	39.5
135.08064	5.9
135.11705	6.6
137.09615	4.3
139.07518	1.6
139.11172	15.7
140.04642	8.0
143.10667	3.0
145.10103	5.4
147.08081	1.1
147.11667	8.5
149.09602	11.2
149.13271	13.6
151.11182	6.5
153.00540	1.0
153.05510	1.2
153.09103	30.0
155.07002	9.5
157.12276	1.1
158.10867	2.2
163.11142	2.7
163.14815	6.0
165.09137	1.5
165.12769	2.5
167.07047	1.2
167.10651	5.7
171.10159	15.7
173.13260	14.7
181.04964	14.6
191.10678	8.3
191.14291	13.3
209.07985	2.8
209.11789	6.4
209.15349	12.5
227.08533	10.5
227.12735	2.7
227.16405	45.3
228.16904	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03956	1.5
55.01878	2.2
55.05505	5.8
57.03434	2.3
57.07068	3.4
58.22584	1.0
59.04999	4.8
59.31552	1.0
64.17059	1.1
65.03938	1.7
67.05507	10.9
69.03427	3.0
69.07066	11.3
69.27239	4.4
71.05001	19.1
73.06574	1.8
79.05499	6.3
81.07047	12.3
83.04997	3.1
83.08623	2.6
84.04523	1.2
85.06532	8.7
86.09704	14.1
91.05485	8.3
93.07040	16.6
95.04971	100.0
95.08612	14.3
96.05331	1.4
97.06528	25.6
97.10169	2.4
97.88917	1.3
99.04456	16.0
99.08097	19.0
100.11258	12.0
103.14195	1.1
105.07027	6.9
107.08588	14.9
109.06525	17.1
109.10148	8.1
111.08080	5.4
113.05992	2.0
113.09631	2.3
115.07571	27.8
117.07021	1.1
119.07887	1.1
119.08566	6.0
121.06549	1.6
121.10136	14.2
123.08069	2.1
123.11720	3.5
125.02390	2.4
125.09630	5.7
127.07565	9.6
131.08569	6.9
132.56931	1.2
133.10129	29.3
135.08064	4.9
135.11699	5.1
137.09686	1.1
139.11194	8.3
143.08531	1.1
145.10164	3.2
147.11703	5.7
149.09673	6.6
149.13234	5.7
151.11192	4.9
153.09106	24.1
155.07010	1.7
163.11230	1.6
163.14828	3.1
167.10690	3.2
171.10178	8.1
173.13260	12.7
191.14258	10.0
209.11671	1.8
209.15276	11.2
227.14211	1.9
227.16327	23.6
228.10291	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05514	6.2
57.03429	3.5
57.07075	4.8
57.28885	1.0
59.05001	5.0
59.22687	1.0
65.03934	2.2
66.55946	1.1
67.05508	7.4
69.03426	4.2
69.07075	9.8
70.90761	1.3
70.91090	1.6
71.04996	29.9
73.02921	2.2
73.06560	1.6
76.01241	1.1
79.05494	8.4
81.07053	18.7
83.04982	3.7
83.08611	4.8
85.06544	15.0
86.09706	7.5
91.05480	9.2
93.07048	28.1
95.04974	100.0
95.08604	16.2
96.05309	1.9
97.04052	1.6
97.06532	22.1
97.10166	3.2
99.04452	11.8
99.08101	37.9
100.11270	2.9
105.07030	12.5
107.04965	1.4
107.08598	26.9
109.06526	18.2
109.10175	11.9
111.08085	6.2
113.06013	1.8
113.09616	3.8
115.07549	9.3
119.08578	10.0
121.10152	24.5
123.08094	1.7
123.11707	9.1
125.05945	1.8
125.09637	11.7
127.07555	17.6
129.06985	1.2
131.08554	10.9
133.10135	42.7
135.08041	4.6
135.11702	6.5
137.09592	4.6
139.11165	15.5
140.04669	6.5
143.10649	3.2
145.10114	3.7
147.11644	7.2
149.09639	6.6
149.13260	11.1
151.11188	5.6
153.09123	26.7
155.07005	4.1
158.10965	2.0
163.14813	6.4
165.12808	2.0
167.10635	1.9
171.10173	16.2
173.13261	16.3
181.04979	9.6
191.10638	4.6
191.14299	11.2
206.07350	1.2
209.07957	1.3
209.11745	3.3
209.15359	14.9
227.08531	10.5
227.12967	2.0
227.16422	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03948	2.9
55.01868	6.5
55.05515	38.7
57.03427	12.2
57.07080	6.5
58.02958	2.5
59.05004	3.2
61.55423	2.0
62.23404	2.2
65.03944	2.4
67.05516	31.1
69.03432	7.6
69.07072	34.8
69.18608	2.4
70.06607	2.6
71.04996	78.9
71.05374	4.7
71.28284	2.4
71.28625	3.0
73.02911	2.3
73.06553	3.2
75.04469	4.3
77.91473	2.2
79.05502	27.3
80.59077	2.2
81.03432	5.5
81.07058	40.1
83.04982	23.1
83.08624	17.6
84.08138	2.2
85.06549	61.4
87.04456	5.3
91.05487	21.0
93.07055	45.6
95.04972	75.7
95.08609	34.1
97.02849	2.4
97.06537	36.1
97.10180	18.9
99.04459	100.0
99.08083	12.5
100.11258	33.4
105.07042	27.0
107.04968	7.2
107.08598	47.6
109.06559	17.4
109.10160	23.1
111.04462	10.5
111.08112	12.6
111.11729	5.0
113.09673	6.2
114.09202	2.2
115.07557	6.1
117.07053	6.6
119.08575	16.7
121.06530	10.3
121.10142	46.8
123.04427	4.1
123.08079	16.0
123.11696	14.5
125.06048	4.7
125.09648	16.2
127.07547	3.1
129.07030	3.0
131.08580	34.9
133.10155	31.2
135.08080	9.2
135.11688	13.3
137.09621	14.5
137.13258	3.0
139.07585	2.8
139.11182	21.7
142.07806	4.0
145.10127	18.2
147.08067	3.8
147.11705	11.4
148.08557	2.3
149.09615	35.4
149.13277	14.1
151.11182	11.0
153.09087	16.3
153.12747	7.5
155.07048	3.1
157.10146	5.4
163.11234	12.9
163.14812	6.6
165.09160	3.7
165.12856	3.1
167.07047	7.7
167.08429	3.5
167.10699	16.9
169.08591	4.5
169.12283	7.5
171.10207	5.7
173.13254	15.0
181.05006	4.3
183.13741	12.0
185.13235	2.7
191.10695	22.8
191.12387	2.5
191.12932	2.1
191.14325	16.7
195.08087	3.5
199.14847	2.7
209.11763	29.8
209.15289	39.3
219.81194	2.4
227.10796	12.1
227.12717	9.1
227.16277	62.7
228.10274	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.27639	3.2
52.45696	3.1
55.01864	11.0
55.05510	40.6
57.03435	7.0
57.07065	6.5
67.05505	42.5
69.03428	3.8
69.07070	51.4
70.44846	5.7
71.04997	84.2
73.06570	4.1
79.05502	35.9
81.07057	57.3
83.04978	13.3
83.08617	17.0
85.06549	33.3
87.04498	5.9
91.05495	15.5
93.07051	52.2
95.05000	6.4
95.08601	35.5
97.06533	66.3
97.10181	28.5
99.04436	3.9
100.11266	25.6
105.07028	16.7
107.04984	5.3
107.08611	27.5
109.06528	4.8
109.10159	11.0
111.04416	5.9
111.08117	4.1
111.11725	7.8
117.07085	4.5
119.08583	13.6
121.06514	16.5
121.10159	52.7
122.10512	3.5
123.08055	4.4
123.11674	4.9
125.09635	7.2
129.07008	7.6
131.08554	40.1
133.10184	4.6
135.11731	5.5
139.11154	26.4
143.08614	4.0
145.10129	13.3
147.11760	5.4
149.09625	22.4
149.13284	5.4
157.10117	5.3
163.11176	7.8
163.14832	4.4
167.07082	6.2
167.10690	10.9
171.11606	4.5
173.13298	9.3
185.09427	4.2
191.10609	17.6
191.14352	6.9
192.88339	4.0
203.12868	7.5
209.11693	15.3
209.15288	74.0
227.10602	7.7
227.12724	12.8
227.14459	6.1
227.16331	100.0
228.10237	7.2
228.23192	7.6
245.11354	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03970	2.2
55.01880	4.4
55.05511	20.1
56.05052	4.5
57.03446	12.3
57.07071	4.3
57.17935	2.1
65.03953	2.9
67.05507	78.6
67.41079	2.0
69.07069	22.8
69.56218	11.8
71.04993	10.7
79.05496	41.3
81.07060	100.0
83.04984	10.8
83.08622	16.2
85.06554	7.3
91.05491	21.2
93.07044	66.4
95.04981	5.9
95.08614	26.5
97.06513	14.0
97.10174	3.9
99.08102	5.6
105.07051	7.7
107.08597	32.0
109.10184	4.7
111.08096	10.2
117.07033	14.8
121.06521	3.1
121.10158	18.6
131.08589	13.6
133.10127	13.2
135.11667	15.5
136.70953	1.9
147.11769	2.3
149.13268	46.7
159.11696	24.0
177.12776	10.5
193.72789	2.2
195.13860	10.9
195.15553	3.1
227.10365	3.7
227.12666	3.0
227.18047	4.2
228.23260	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.1
57.07079	3.1
59.05001	3.6
65.16710	1.7
67.05513	5.0
69.07075	15.9
70.04678	1.7
70.06587	2.3
71.04991	3.7
71.28564	2.8
79.05492	12.4
81.07064	34.8
82.06555	2.3
82.37055	1.9
83.04985	2.9
84.04519	2.5
85.06557	4.2
85.24906	1.7
86.09715	28.8
87.04468	12.7
91.05492	6.4
93.07050	34.2
95.05014	2.7
95.08601	12.1
97.06548	4.1
99.08091	2.2
100.11241	11.5
105.07018	14.6
107.08606	8.1
109.06546	5.1
111.11699	4.3
116.26627	2.0
117.54971	2.0
119.08591	4.7
121.06575	2.2
121.10151	68.4
123.08069	4.3
123.11710	61.8
123.12564	4.1
131.08559	3.3
133.10155	2.3
139.11203	5.3
145.10170	3.0
147.11722	7.9
149.09612	33.7
149.10709	2.7
151.11195	31.5
163.11189	2.3
165.12798	6.1
167.10690	100.0
168.10968	2.1
171.04408	1.9
173.09732	2.6
177.38702	2.2
191.14349	2.1
199.15105	2.6
209.11716	3.2
227.10583	2.9
227.12646	2.7
227.17702	2.8
228.12427	2.9
246.04570	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03957	2.7
55.01874	3.7
55.05511	17.5
57.03438	6.0
57.07070	7.2
59.05006	4.6
65.03938	3.3
65.04342	1.4
65.41087	1.7
65.80116	1.6
67.05506	25.4
69.03443	8.6
69.07070	20.1
69.85031	3.7
69.85424	5.0
71.04997	47.2
73.02903	2.0
79.05499	24.9
81.03419	3.8
81.07059	27.3
83.04977	11.4
83.08640	11.3
85.02921	2.1
85.06547	50.5
86.09708	11.0
87.04482	3.2
90.93982	1.9
91.05486	19.2
93.07049	35.2
95.04975	100.0
95.08612	21.7
96.05273	2.2
96.93123	1.7
97.02914	2.0
97.06528	21.6
97.10162	5.3
98.23289	2.5
99.03841	3.0
99.04466	56.3
99.08087	24.6
100.11259	18.2
105.07034	20.9
107.04979	8.3
107.08603	42.1
109.06511	20.7
109.10181	12.7
111.04457	8.0
111.08080	11.6
113.06006	6.3
113.09639	5.0
115.03947	4.8
115.07571	5.4
117.07018	5.6
119.08602	14.9
121.06516	13.2
121.10152	33.9
123.08098	9.6
123.11707	11.7
125.06010	4.7
125.09631	17.4
127.07552	9.4
128.06314	2.2
129.06993	4.4
131.08563	32.7
133.10130	31.9
135.08044	6.6
135.11732	10.4
137.09648	4.6
139.11197	11.5
140.04692	2.6
143.08546	4.2
143.10664	5.6
145.10126	14.1
147.08020	2.5
147.11691	7.4
149.05977	2.5
149.09625	31.2
149.10719	3.0
149.13271	9.2
151.07567	1.9
151.11197	8.3
153.01947	2.7
153.09097	30.0
155.07062	4.7
155.08514	2.4
155.32077	1.7
163.07561	2.1
163.11182	14.3
163.14844	5.4
165.09061	2.3
165.12738	5.0
166.07747	1.9
167.07042	8.9
167.10663	12.6
169.08597	2.5
171.10196	15.4
171.11636	3.2
173.09651	4.1
173.13240	12.4
177.05464	3.3
181.05083	4.0
181.10088	3.1
183.13795	4.7
191.10687	25.3
191.14336	13.0
194.20108	1.9
199.11121	3.8
200.10802	2.1
209.11732	30.0
209.15244	17.7
227.10594	5.9
227.12662	10.7
227.16273	39.1
228.10213	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	229.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91404	0.5
57.07083	0.5
57.98899	0.4
61.26212	0.4
67.05495	0.5
69.07056	0.4
71.08636	0.4
71.27444	0.4
77.40269	0.3
78.82030	0.4
81.03405	0.6
84.08153	3.3
91.05492	0.5
97.02814	0.4
98.97603	0.6
101.00880	2.4
103.00625	0.5
116.98690	0.5
119.01923	8.0
120.02063	0.4
121.01699	3.3
121.06501	0.4
134.99861	2.0
137.02951	2.4
139.02696	1.2
140.98787	2.0
147.04811	0.4
153.00943	1.1
153.85716	0.4
158.99883	6.0
159.99985	0.5
162.99425	0.6
175.04575	0.5
177.00961	72.2
178.01035	5.4
179.00758	0.6
179.02609	0.5
180.00705	0.4
181.00439	5.0
183.10004	0.5
185.01508	1.1
187.02711	1.4
187.04524	0.6
193.09740	0.4
195.02013	1.5
200.02519	0.6
201.00887	0.7
203.02527	32.3
204.02609	2.6
205.00468	1.5
205.03722	1.1
205.05571	0.4
205.98781	1.1
206.00572	0.5
210.97620	0.5
210.99481	1.4
212.07683	0.6
217.03871	0.6
218.13774	0.4
219.02013	12.5
220.02168	0.8
223.01541	4.8
228.23180	1.5
229.00430	8.5
229.05765	0.7
229.10339	0.9
229.15765	0.9
229.23657	0.6
230.00714	0.5
230.08681	0.7
247.01512	100.0
248.01688	7.8
249.02080	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	229.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76960	0.4
55.01873	7.2
55.05510	1.4
56.05040	10.6
57.03437	0.6
66.33945	0.4
67.05505	2.5
68.05038	0.7
69.03436	1.4
69.07066	0.7
69.42133	2.6
70.06596	26.1
71.05001	3.9
72.04523	4.9
73.02927	5.0
79.05498	0.8
81.03416	0.7
81.07067	2.1
82.06588	0.5
83.04994	0.6
83.06120	2.0
83.08602	0.7
84.04510	100.0
85.02911	4.4
85.04857	1.2
85.06544	1.4
86.06078	0.9
91.05493	1.4
91.13331	0.5
93.07063	1.3
95.04954	0.5
95.08605	0.6
96.04506	2.1
97.02926	0.8
97.06542	1.2
98.22683	0.9
99.04435	0.6
100.03985	49.7
101.02389	20.2
101.04288	0.7
101.07150	4.9
102.05540	1.6
105.07050	1.4
107.08612	0.6
109.02866	0.8
109.06557	1.1
109.10153	0.7
110.06065	2.7
114.05531	1.1
117.27889	0.5
118.05022	49.7
119.05335	0.6
122.06049	0.6
129.06596	7.3
130.05005	8.7
131.08585	0.6
132.06570	3.6
133.10135	1.9
138.05513	52.7
139.05864	0.8
141.07002	0.5
142.05037	0.9
142.27734	0.4
145.06473	0.7
147.11700	0.8
151.08635	0.5
157.09998	0.4
159.08057	0.6
166.05011	11.3
169.12241	1.1
175.11238	0.6
180.80560	0.5
183.07660	1.9
184.06039	3.6
193.12332	1.0
201.08820	1.2
211.07187	2.2
211.13268	1.1
229.04903	0.9
229.12025	4.9
229.15915	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	229.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.8
56.28252	0.6
67.05502	1.6
70.36874	1.1
70.37210	0.6
82.06570	0.6
84.08149	100.0
85.08484	0.9
94.06572	0.7
95.04991	1.2
96.03017	0.9
101.00892	2.2
111.09212	2.2
112.07606	1.2
114.04044	2.9
119.01933	3.6
119.02670	0.6
130.03503	0.9
132.05070	1.0
137.02971	0.9
141.08731	2.0
142.07138	0.7
144.08722	0.7
156.01466	0.8
156.05017	0.5
159.09764	1.9
161.11261	0.6
166.07175	0.7
169.08284	0.8
170.06615	1.6
174.02524	1.6
174.06064	0.6
177.01012	0.5
183.09802	2.5
184.04626	1.0
184.08205	7.7
186.06085	0.9
187.09270	3.7
193.08154	0.8
194.06680	1.0
202.09290	2.9
205.10374	3.8
210.61853	0.5
211.09299	12.2
212.07684	19.2
213.07965	0.8
229.10345	36.8
230.08728	29.4
231.08856	1.2
247.01704	0.5
248.09807	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	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
67.05505	0.6
70.06598	1.0
78.04704	2.7
79.05487	1.5
86.09723	2.6
91.05483	1.7
93.07062	1.3
95.04967	0.8
103.05461	1.3
105.04491	0.4
105.07059	0.6
106.04202	2.3
107.04939	0.9
115.33151	0.4
116.07095	2.1
119.11971	0.4
121.06546	1.9
122.03655	0.7
123.04442	7.4
124.05243	2.9
133.06487	0.8
134.03656	0.9
137.05992	0.8
145.96739	0.4
149.05956	2.0
151.03944	2.3
152.04659	2.0
161.06038	0.5
167.07050	100.0
168.07347	2.3
181.08563	2.0
193.08565	1.3
205.98889	0.6
229.15596	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	229.1183
Annotation	H-Pro-Hyp-OH
Peak:m/z	Relative Intensity
55.01873	1.2
56.05038	1.8
56.96564	0.4
64.78355	0.2
67.05502	1.0
68.05028	1.7
69.03425	0.5
69.07079	0.4
70.06596	100.0
71.04994	1.0
71.06934	0.7
71.28535	0.2
72.04514	1.0
72.08178	0.2
73.02931	1.0
79.05495	0.4
81.07073	0.6
82.06576	0.2
83.04963	0.2
83.06099	0.3
83.08572	0.2
84.04508	18.2
85.02911	0.8
85.06539	0.5
86.06068	5.7
91.05486	0.8
93.07045	0.4
95.04974	0.2
97.06552	0.2
98.97593	0.8
100.03982	9.1
101.02383	3.9
101.07125	0.7
102.05580	0.3
105.07056	0.4
107.08585	0.4
109.06571	0.3
109.10184	0.3
110.06049	0.3
114.05543	0.3
116.07092	0.8
116.98628	0.8
118.05023	9.5
119.08617	0.3
121.10187	0.2
129.05550	0.3
129.06635	0.9
130.04994	1.4
131.08549	0.2
132.06570	13.8
133.10135	0.8
134.99693	0.5
138.05505	9.1
147.11693	0.4
151.11194	0.4
155.06993	0.3
166.05013	2.7
169.12228	0.6
170.56071	0.2
173.09566	0.2
175.11200	0.3
183.07693	0.5
184.06059	0.7
193.26331	0.2
211.07228	0.3
229.11842	16.9
229.15570	0.8
229.23463	0.2
230.10089	0.2
230.12180	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	229.1224
Annotation	Leucasone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01851	0.6
55.05519	4.5
57.03443	3.4
57.07064	0.8
57.86261	0.4
59.04980	1.5
65.03934	1.1
67.05508	23.4
68.05801	1.2
69.07065	3.4
70.73582	0.9
71.05006	2.5
79.05135	0.5
79.05496	5.7
81.03413	0.9
81.07058	10.3
82.07381	1.0
83.04977	0.8
83.08610	2.1
84.08921	0.7
85.02903	0.7
85.06548	0.7
91.05485	16.8
93.07050	12.0
95.04967	4.3
95.08610	4.9
96.08925	1.4
103.05476	0.9
105.03419	0.5
105.04507	0.8
105.07027	8.4
107.04964	5.0
107.08593	1.8
109.06526	2.6
109.10160	19.0
110.10485	1.2
115.05457	5.9
116.06222	0.9
117.06203	0.9
117.07022	14.2
119.04948	6.8
119.05845	0.9
119.06068	0.8
119.08586	11.2
121.06509	7.8
122.08463	0.5
128.06215	4.7
129.06999	6.7
130.07840	0.6
131.08569	8.3
131.33307	0.5
133.06458	0.8
133.10146	1.2
135.04407	1.3
135.08047	0.6
137.09630	1.0
141.07002	4.0
142.07780	6.1
143.08575	9.5
144.05733	0.6
144.09329	1.0
145.06488	23.0
145.10146	4.2
147.04399	4.8
147.08057	5.8
147.09167	0.9
147.11740	0.7
149.05966	3.8
152.06210	0.7
153.07004	5.9
155.05991	0.9
155.08559	10.5
155.10529	0.9
156.09332	1.1
157.06419	0.5
157.10144	4.3
158.07298	1.1
158.10895	1.5
159.08055	7.4
159.11684	2.8
161.05972	2.0
166.07758	0.8
167.08540	3.3
168.09354	11.4
169.10115	1.7
170.10968	1.3
171.08070	1.9
171.11682	1.1
172.08804	1.9
173.05991	100.0
173.09602	3.0
173.11751	4.1
173.13272	5.5
174.06358	2.8
176.15129	1.8
181.06454	1.1
181.10095	1.2
183.11690	11.4
185.09644	0.6
185.13191	2.1
186.10425	2.0
187.07574	4.4
187.11156	1.5
193.09996	1.6
194.16229	0.7
196.08812	2.6
201.12744	10.3
211.11140	7.2
212.06570	2.8
229.12256	37.5
229.14291	4.0
229.19463	1.2
229.23584	1.4
230.12456	0.9
247.13210	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	229.1226
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03943	4.7
55.01865	0.9
55.05504	1.7
57.03427	0.6
65.03941	0.8
66.20902	0.5
67.05514	2.8
69.03429	24.5
70.06609	0.6
70.56685	1.1
79.05495	2.5
81.03414	0.5
81.07048	1.9
83.04980	2.6
91.05486	6.9
93.03407	1.0
93.07043	7.5
95.04974	2.6
105.04498	0.8
105.07030	7.4
107.04909	1.0
107.08559	0.9
109.02878	15.8
109.06507	1.4
109.10166	1.6
115.05473	1.6
116.06259	0.6
117.07010	4.0
119.04938	0.4
119.08585	9.3
121.06512	9.4
121.10159	1.3
122.07312	0.5
128.06201	2.9
129.07002	6.3
130.07774	1.7
131.08568	14.0
133.10136	10.4
135.04375	0.5
135.08076	1.6
141.06972	2.0
142.07784	3.5
143.08557	14.1
144.05698	0.7
144.09373	5.8
145.06479	4.9
145.10123	10.2
146.07307	0.6
147.08018	1.0
151.08690	0.4
153.06982	3.3
154.07736	0.6
155.08551	7.0
156.09320	1.5
157.06458	1.3
157.10100	4.2
158.07346	2.2
158.10921	16.1
159.08052	9.5
159.11705	10.5
160.08716	0.5
161.06064	0.5
161.09647	2.0
167.08588	1.4
168.09348	5.7
168.10645	0.6
169.10115	2.2
170.10933	8.0
171.08064	7.2
171.11676	1.3
172.08829	11.0
173.05927	2.0
173.09630	43.3
173.13254	43.5
174.10046	0.8
174.13551	0.9
175.07538	1.8
178.07820	0.8
181.06561	2.3
183.11694	10.1
184.12091	0.4
185.09642	2.8
185.13249	2.5
186.10402	24.6
187.07748	2.4
187.11183	71.4
188.08395	0.7
188.11533	1.5
189.09077	0.8
193.10123	1.2
195.08000	0.9
196.08801	7.1
199.07507	2.4
201.12744	58.9
202.13065	1.4
211.11186	14.2
214.09892	4.6
229.12238	100.0
230.12595	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09764	2.0
55.05506	8.4
57.03448	15.8
59.05011	5.5
60.41368	2.2
67.05511	100.0
69.04932	15.0
69.07072	2.5
71.04998	3.1
79.05502	4.0
81.07054	15.1
83.08626	7.1
85.06533	3.1
91.05476	8.5
93.07084	4.0
95.08598	7.9
96.42635	2.1
98.27387	2.3
107.08672	2.1
109.10167	87.5
119.08600	7.9
137.09669	2.1
155.10683	5.4
173.11746	27.9
229.14369	22.8
229.19543	5.9
229.23509	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.82953	0.7
55.05513	7.8
56.72314	0.7
57.03438	17.5
57.07081	1.5
59.05006	5.4
65.03947	1.7
67.05508	100.0
68.05854	1.0
69.07083	2.0
71.05000	3.7
71.28441	1.1
79.05499	2.1
80.16120	0.6
81.07059	12.0
83.08629	6.1
85.06538	2.4
91.05485	6.3
93.07054	3.8
95.08632	6.2
107.08604	1.7
109.10160	90.8
110.10491	1.5
111.08080	3.2
117.07008	0.9
119.08573	6.4
131.08585	1.3
137.09633	4.1
143.69507	0.7
155.10605	4.9
155.80905	0.8
168.11996	0.8
173.11740	25.7
221.07614	0.7
229.12100	1.1
229.14328	24.2
229.19389	1.6
229.23482	2.9
230.14714	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	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03918	2.9
55.01865	11.8
55.05503	11.5
57.03432	12.9
62.14504	2.7
65.03936	3.3
67.05510	72.1
69.07076	15.1
69.09827	2.6
70.06594	3.2
71.04991	8.1
79.05489	12.2
81.07056	73.9
83.04985	7.7
83.08612	7.7
85.02913	3.7
85.06541	8.0
91.05487	36.3
93.07037	19.5
95.04971	9.0
95.08604	17.8
97.06519	16.6
98.22545	5.2
99.08077	3.7
101.30841	2.9
105.07034	41.6
107.04971	4.5
107.08613	11.7
109.06515	8.7
109.10157	41.1
113.06004	3.3
117.06978	4.6
119.08588	41.2
121.06477	8.1
121.10148	23.2
123.08055	4.8
123.11706	26.3
129.07027	9.4
129.33484	3.2
131.08577	13.1
133.10117	11.5
141.06897	3.1
142.07698	6.5
143.08557	5.3
145.10115	10.5
147.11687	100.0
149.09634	5.6
155.08585	3.7
157.10106	32.3
159.08035	4.2
159.11748	6.1
165.12756	45.6
169.10085	4.5
173.09610	4.9
173.11714	10.0
173.13235	6.6
175.11186	20.1
183.11688	4.1
187.14783	3.3
193.12244	6.0
201.10977	5.4
201.16447	5.5
202.08635	2.8
211.07535	4.9
222.26492	2.9
229.05934	2.8
229.10410	6.4
229.12225	8.6
229.14186	82.1
229.23531	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	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
54.49609	4.0
55.01864	8.9
55.05508	11.8
57.03435	7.4
59.78690	4.3
67.05505	56.3
69.07063	15.6
69.17024	28.1
79.05508	19.9
81.05203	4.5
81.07054	73.4
83.04961	9.9
83.08594	12.3
83.64199	4.1
85.06553	4.6
91.05492	37.3
93.07053	21.2
95.04969	8.7
95.08604	12.0
97.06540	11.9
103.05511	4.8
105.07028	45.6
107.08585	10.5
109.06566	7.2
109.10172	30.4
113.05974	6.2
117.07036	5.0
118.21007	4.1
119.08588	27.6
121.10142	20.3
123.11732	25.6
129.07008	13.3
131.08569	10.3
133.10178	8.1
145.10086	5.9
147.11685	100.0
157.10164	26.1
165.12759	40.0
173.09592	6.0
173.11806	9.0
175.11229	23.3
193.12335	7.8
211.13245	4.7
229.14275	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74607	0.2
55.01880	0.7
57.76041	0.2
58.06604	6.5
59.07384	1.6
60.08168	8.2
61.08474	0.3
62.76872	0.2
68.05019	1.3
69.61670	1.1
70.06596	39.0
71.06929	0.4
72.08176	0.8
75.57465	0.2
86.06087	1.5
92.07635	0.2
96.08145	1.2
98.06068	0.9
114.05535	4.4
114.09175	2.0
116.07136	1.8
118.03480	0.2
118.97916	0.3
124.07610	3.2
126.09158	0.6
131.01923	0.3
142.08641	33.6
143.08931	0.5
160.34793	0.3
170.08148	1.6
182.57680	0.3
227.74060	0.3
229.15477	100.0
230.15802	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	229.1547
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01880	0.4
56.96552	0.3
58.06602	5.3
59.07385	1.1
60.08167	6.8
68.05032	0.8
70.06595	37.3
70.65181	0.3
70.93011	0.2
71.06924	0.3
72.08168	1.0
74.29692	0.2
84.04498	0.4
96.08137	2.0
98.06081	0.7
98.22654	0.2
114.05531	3.7
114.09166	2.0
116.07104	0.9
124.07598	3.0
126.09159	0.7
142.08640	30.1
143.08997	0.4
170.08136	1.1
229.15471	100.0
230.15796	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	230.0814
Annotation	Bruceolline H
Peak:m/z	Relative Intensity
50.77253	0.2
51.02390	0.3
53.03945	0.8
55.01875	8.9
58.48878	0.2
69.00861	1.3
69.01271	0.7
72.04527	0.5
77.03944	0.5
82.02957	0.8
84.04521	0.5
86.06055	0.3
91.05487	6.0
93.07039	0.5
95.04964	0.6
98.23305	0.4
100.03981	0.9
102.04687	0.3
103.05473	50.5
104.05814	1.0
105.07028	0.4
115.05476	0.3
118.06583	1.2
120.08112	23.7
121.06505	1.4
121.08440	0.5
128.04959	0.4
128.06238	0.4
129.07027	2.8
130.06538	4.1
131.04936	37.6
131.08598	1.3
132.05312	0.9
132.08131	1.2
132.26924	0.3
133.06509	0.4
141.07030	0.5
142.06587	0.3
143.04915	0.3
144.08098	0.3
145.06584	0.3
146.06004	3.8
146.09657	1.3
148.07573	3.5
156.08101	13.5
157.06482	3.8
160.07587	3.4
170.06065	0.6
174.09157	10.0
184.07594	19.0
185.05969	1.3
185.07819	0.5
202.08641	100.0
203.08954	3.1
212.07074	1.6
229.23602	0.3
230.08139	31.5
231.08534	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	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05513	1.0
67.05505	1.3
68.05021	0.7
69.07069	98.1
70.02953	4.5
70.06573	0.7
70.07407	1.1
70.92568	0.7
72.08154	0.9
74.02442	25.4
76.16611	0.4
77.84548	0.4
86.06062	2.0
87.06436	0.8
88.03992	45.2
89.04322	0.5
90.59258	0.5
97.06528	6.5
114.09177	1.7
115.07545	0.7
116.03455	21.5
116.07119	1.0
121.06512	0.8
124.07616	1.0
130.06531	0.9
134.04488	100.0
135.04819	0.8
140.10735	1.1
142.72125	0.5
143.07321	0.5
146.06009	1.0
158.09668	3.2
166.08649	10.7
168.08090	1.2
184.09709	6.9
186.14774	0.6
188.07054	0.9
208.94971	0.5
212.09171	8.0
212.12674	0.9
214.08649	0.5
216.60867	0.6
230.10234	46.4
231.10648	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27478	19.6
58.06607	18.4
67.01382	17.4
70.06599	90.6
70.76244	29.6
85.80128	16.6
86.06075	38.0
89.73989	17.8
94.38374	17.4
94.62318	15.5
94.87518	18.1
123.76653	22.9
179.60776	19.8
208.11003	16.1
230.15842	100.0
231.16042	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37862	16.2
55.18984	20.0
55.88156	16.1
56.69685	16.1
70.06590	51.3
70.40243	29.0
70.40564	22.8
82.68921	16.3
86.06083	49.0
103.09222	16.3
132.06606	27.5
137.33423	16.1
143.06367	17.0
143.09016	30.7
165.96445	17.3
174.82405	16.3
230.15779	100.0
231.16014	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0653
Annotation	Coniochaeton A
Peak:m/z	Relative Intensity
55.01877	0.9
65.03921	0.5
67.05510	0.6
68.99795	40.4
69.03423	0.9
69.10168	2.9
79.05470	0.7
81.03431	1.3
81.07050	1.2
83.01314	0.4
91.05488	6.1
93.07051	1.0
94.04195	0.4
95.04999	1.0
95.08615	0.5
103.05463	1.7
103.14181	0.4
105.07050	2.4
107.04971	6.8
107.05688	0.4
107.08588	0.7
109.02877	2.7
109.06606	0.4
110.03662	1.4
111.00813	3.2
115.05471	5.6
117.07016	3.5
119.04958	14.5
119.08598	1.6
121.02872	1.6
121.06516	12.1
124.30145	0.4
127.05435	0.6
128.06224	5.4
129.07008	8.0
131.04932	1.7
131.08540	1.2
133.06538	1.8
133.10146	1.5
135.08101	2.5
139.05438	4.4
141.06998	1.6
142.07774	1.3
143.08627	2.0
144.05716	0.5
145.06487	8.5
145.10164	2.5
147.04416	91.7
147.08127	1.8
148.04764	2.0
155.06075	3.1
155.08580	0.7
156.09348	0.7
157.06499	38.2
157.10106	4.1
158.06833	1.5
159.11771	0.6
160.05231	0.7
161.05995	4.3
163.07567	0.4
167.04973	3.5
168.05690	0.7
169.06442	1.0
170.10867	0.6
171.04378	14.5
171.05513	1.5
171.11717	0.7
175.07516	2.2
185.05986	16.9
185.13313	2.5
186.06450	0.7
189.05498	2.9
195.04153	2.0
195.11717	0.6
203.07045	23.0
203.14365	0.5
204.07266	0.5
213.05476	10.7
213.12787	1.4
231.06538	100.0
231.13889	3.0
231.17476	1.4
232.06851	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	231.0652
Annotation	AC1NQXYN
Peak:m/z	Relative Intensity
51.01880	0.3
51.02372	0.4
55.01870	1.2
56.05038	0.4
57.07061	0.4
59.64531	0.3
65.03936	0.6
68.99792	43.5
71.08637	0.3
71.30713	0.3
74.06078	1.0
79.05495	0.6
81.03422	1.4
83.01340	0.6
85.02894	0.4
87.00834	0.3
88.07630	3.0
91.05482	7.1
93.07047	0.9
94.04124	0.4
95.04943	0.9
103.05454	1.7
105.07030	0.8
107.04951	7.2
109.02893	1.9
110.03638	1.1
111.00813	2.8
115.05454	5.8
117.07018	3.2
117.16506	0.3
119.04942	17.2
119.08565	0.9
120.05228	0.3
121.02853	2.0
121.06505	10.8
125.81471	0.3
127.05464	0.7
128.06229	7.0
128.07172	0.2
129.07011	7.5
130.07353	0.3
131.04889	1.9
131.08577	0.6
132.05614	0.5
133.06503	2.1
133.10123	1.2
135.08066	3.1
137.05867	0.4
139.05423	4.7
141.06981	1.9
142.07834	0.5
143.04944	1.4
143.08571	0.7
144.05705	0.6
145.06500	8.4
145.10107	0.5
147.04408	99.3
147.07990	2.2
148.04713	1.9
155.06035	4.3
157.06490	42.3
158.06827	0.7
160.05183	1.2
161.05971	3.9
167.04916	3.6
168.05681	1.0
169.06396	0.5
171.04367	16.5
171.05597	2.2
175.07544	3.2
179.06096	0.4
184.05217	0.7
185.05975	18.6
186.18541	2.0
189.05499	3.0
195.04156	2.4
195.05910	0.5
203.07033	26.6
204.07336	0.5
213.05466	11.8
231.06522	100.0
231.13695	1.5
232.06906	2.4
232.19049	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	231.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.3
58.97182	0.1
67.05491	0.1
68.05026	1.9
69.98035	0.1
70.06594	100.0
71.06303	0.2
71.06927	1.1
71.22823	0.2
72.08153	0.5
83.18998	0.1
84.04502	0.3
86.06069	6.9
88.11263	0.3
89.35575	0.1
91.05511	0.2
105.07062	0.2
119.08591	0.2
135.08075	0.2
157.10161	0.1
175.07556	0.2
185.12930	0.4
189.12805	0.2
213.08774	0.2
213.12685	0.1
214.14391	0.1
231.06319	0.3
231.09775	9.4
231.13240	1.8
232.09993	0.2
237.87949	0.1
254.78674	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	231.0977
Annotation	Pro Asp
Peak:m/z	Relative Intensity
64.23680	0.1
68.05032	0.4
68.99805	0.2
69.03421	0.2
69.48094	0.6
70.06593	100.0
71.06915	0.7
72.08168	0.3
86.06075	0.1
86.09769	0.1
88.04008	0.2
93.07028	0.3
105.07040	0.2
110.15231	0.1
115.05415	0.1
117.07005	0.2
133.10150	0.2
141.05516	0.1
143.08559	0.1
145.06476	0.3
145.10172	0.2
147.04358	0.2
157.06471	0.2
170.10898	0.2
171.11620	0.2
173.09596	0.2
175.07584	0.3
213.08681	0.2
213.12650	0.2
231.09760	10.8
231.13741	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	231.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
55.05511	4.0
57.07073	1.3
59.05024	1.2
64.87032	1.0
65.26792	1.0
66.05551	1.0
67.05516	10.8
68.89806	1.1
68.99780	1.3
69.03435	9.4
69.07079	3.7
70.06614	2.3
70.44956	1.4
70.45294	1.7
71.01025	1.1
71.01357	5.5
71.05000	3.7
73.02930	2.9
79.05504	4.0
81.07059	10.7
83.04978	5.3
83.08627	3.3
85.06568	2.0
85.16551	1.1
87.04445	1.1
91.05486	7.4
93.07059	9.1
95.04977	61.8
95.08611	6.1
97.02905	4.8
99.04492	1.8
105.07041	9.2
107.08620	5.4
109.06538	2.8
109.10172	4.5
111.04477	2.1
111.08085	4.0
113.06020	53.1
115.05488	2.7
117.07050	3.1
119.04951	1.2
119.08597	3.9
121.06530	2.1
121.10157	4.1
123.04448	3.4
123.08092	1.4
123.11713	3.3
128.06230	3.8
129.07056	1.8
130.07886	1.3
131.08594	4.3
133.10126	8.5
135.08061	2.3
137.06065	2.0
141.05473	100.0
142.07768	1.9
143.08565	16.6
145.06528	4.9
145.10106	5.4
147.04449	1.8
147.08110	1.4
151.11180	26.1
157.10063	1.6
159.08121	1.6
161.09637	21.1
161.13310	3.7
171.11731	2.4
173.13205	1.1
179.10672	13.8
185.13280	3.3
195.11635	1.4
196.17136	1.8
197.11763	2.2
213.12779	4.5
214.18021	12.4
231.03001	3.0
231.14023	6.0
231.17462	2.2
232.19124	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	231.1379
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03942	6.8
55.05492	5.6
57.07057	2.0
57.66983	1.2
63.31418	1.3
66.01637	1.1
67.05493	3.4
69.03436	6.8
69.07060	3.0
70.06590	18.8
71.04993	1.2
79.05491	12.6
81.07041	6.6
83.04983	8.7
83.08629	1.6
84.04498	4.4
91.05482	17.1
93.07050	12.1
95.04977	3.4
95.08598	4.2
102.12778	2.4
103.05444	1.6
105.07021	16.9
107.08585	7.4
109.02876	26.5
109.06504	1.8
111.04427	4.9
115.05439	3.0
116.06226	2.2
117.07007	8.1
119.04977	2.2
119.08596	15.7
121.06487	2.2
121.10116	1.8
125.05995	1.7
127.18565	1.3
128.06207	13.3
129.07034	9.1
130.05009	2.8
130.07785	5.7
131.08545	9.3
133.06410	1.4
133.10123	9.6
135.08128	1.3
137.05951	4.3
141.06996	5.9
142.07791	11.7
143.08566	24.6
144.09311	4.1
145.06453	2.9
145.10144	25.1
147.08005	4.0
149.09587	3.1
153.06973	1.5
155.08527	11.1
156.09344	14.9
157.06496	2.6
157.10115	23.2
158.10875	4.0
159.08038	1.8
159.11754	8.1
161.09569	4.5
165.06975	3.3
169.09984	2.0
170.10918	25.8
171.08055	4.2
171.11681	15.1
172.12439	3.6
175.07552	100.0
176.07921	1.8
180.09315	2.2
183.08041	3.5
185.13274	30.1
186.13905	3.3
187.14848	5.8
189.09088	16.1
195.11725	2.8
198.10410	5.4
203.10774	2.4
203.14284	2.5
213.12738	18.5
214.14438	2.6
231.10103	2.6
231.13795	54.9
232.14101	2.7
252.63020	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	231.138
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03951	6.6
55.05504	5.6
61.64264	1.3
65.03918	2.4
67.05500	3.8
69.03430	7.0
69.07063	2.3
69.34962	1.4
70.06595	24.5
71.28771	1.4
72.08143	4.8
72.51160	1.3
79.05493	9.7
81.07047	6.3
83.04993	9.0
83.08645	1.4
86.09708	4.6
87.04457	1.6
91.05483	15.8
93.07063	12.6
95.04966	3.1
95.08584	4.1
102.12802	2.2
103.05489	3.1
105.04537	1.3
105.07035	17.3
107.04929	2.1
107.08626	7.1
109.02875	22.4
109.06479	1.7
111.04430	3.7
115.05444	2.2
116.06168	1.4
117.06989	9.3
119.04895	1.6
119.08574	12.2
121.06490	3.3
121.10163	2.4
125.05988	1.7
128.06229	13.0
129.07024	12.7
130.04942	1.4
130.07765	4.5
131.08559	8.9
133.10156	9.5
137.05978	7.5
141.06967	4.1
142.07787	12.8
143.08559	23.1
144.09286	2.7
145.10123	31.2
147.08031	5.8
149.09610	3.3
151.07483	2.2
154.07623	1.4
155.08568	13.7
156.09332	15.1
157.06485	2.1
157.10143	21.1
158.10803	2.7
159.08060	2.6
159.11674	9.3
161.06033	1.9
161.09599	4.4
161.13210	1.6
165.06966	2.8
169.10181	1.7
170.10904	28.3
171.08038	4.3
171.11708	14.6
172.12419	2.9
175.07550	100.0
176.07938	2.9
180.09308	2.3
183.08044	3.7
185.07124	3.1
185.09709	2.4
185.11757	2.4
185.13269	29.9
186.13931	3.8
187.14809	6.2
189.09126	17.0
189.12750	2.0
195.11710	4.0
198.10452	4.1
203.14391	2.8
207.14948	1.5
213.09242	1.3
213.12714	15.5
231.03073	2.5
231.10204	2.3
231.13795	58.7
232.14119	2.9
236.44310	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	231.1382
Annotation	Phymaspermone
Peak:m/z	Relative Intensity
53.03950	1.7
55.05515	62.6
56.05832	0.5
66.76245	0.4
69.03339	1.6
69.03754	2.7
69.85558	0.4
83.04986	100.0
84.05342	1.0
91.05499	1.0
93.10536	0.4
95.21558	0.6
105.07043	1.1
119.08600	0.6
121.06506	9.9
133.10173	0.5
147.08058	0.8
149.09637	9.3
150.77193	0.5
161.09554	0.5
189.09148	0.8
231.07867	0.7
231.10091	1.0
231.13881	2.2
232.46753	0.5
239.75313	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
55.05515	12.4
56.05037	0.4
56.79378	0.2
57.05817	1.2
69.65186	0.7
70.06577	0.2
72.08160	100.0
73.08488	0.7
77.93605	0.2
84.04498	0.3
86.06082	0.4
86.09711	5.1
98.22486	0.3
132.10210	3.4
168.29349	0.2
181.87140	0.2
185.16589	0.7
195.12561	0.2
207.84872	0.2
231.03015	0.4
231.17027	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	231.1744
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
51.02384	0.7
53.03947	9.0
53.22658	0.6
55.01869	3.7
55.05516	2.1
57.03446	3.7
57.07083	1.3
61.02929	2.2
61.67992	0.6
65.03939	0.8
65.07523	0.6
67.03445	0.6
67.05504	5.9
68.99800	3.0
69.03432	84.9
69.07074	4.2
70.03772	0.9
71.01366	0.7
71.04993	12.9
73.02936	1.4
74.59367	0.5
77.03932	0.7
79.05493	5.5
80.03812	0.5
81.03420	51.4
81.07056	6.9
81.70097	0.7
82.03770	0.9
83.01361	2.1
83.04991	1.4
85.02908	43.1
85.06535	0.9
87.00304	1.0
87.00835	18.7
91.05489	12.2
93.07042	8.2
95.04977	2.6
95.08611	4.5
97.02893	23.9
97.06546	1.7
99.04459	12.7
99.08106	0.9
101.02389	1.0
103.05450	3.0
105.01860	2.9
105.07033	30.8
106.07395	0.9
107.04961	1.3
107.08589	6.6
109.02881	19.5
109.06545	1.6
109.10154	2.7
111.00806	0.7
112.07603	2.5
115.03959	0.9
115.05444	3.2
117.07017	12.4
119.08576	9.0
121.06506	12.9
121.10156	2.6
123.08071	1.5
123.11691	0.9
127.03918	24.2
128.06223	4.6
129.07019	7.0
130.07809	10.1
131.08603	6.7
133.06493	1.5
133.10132	9.5
135.08086	0.9
135.11720	1.4
137.09619	1.2
141.06915	1.4
142.07811	3.3
143.08568	16.0
144.09349	1.1
145.04962	3.4
145.06487	1.9
145.10126	100.0
146.10474	1.5
147.08049	2.2
147.11708	4.0
149.09685	0.8
151.11195	0.8
155.08586	1.5
156.09344	2.6
157.10135	15.3
158.10782	0.7
159.11707	10.5
161.09608	2.5
161.13213	4.9
163.11218	1.0
165.06956	0.8
167.08586	1.1
170.10927	1.5
171.08009	1.5
171.11710	8.4
173.09637	2.1
173.13242	3.9
175.07518	1.5
175.11185	2.6
175.14888	0.8
185.09596	0.9
185.13257	4.5
187.14786	1.9
188.12039	0.9
189.09097	1.4
189.12749	2.0
189.16370	1.9
191.58444	0.7
195.11702	1.1
203.03342	0.8
203.14339	1.5
203.18007	1.1
213.03961	1.3
213.09154	2.0
213.12724	2.4
213.16385	9.1
231.04880	4.7
231.10194	1.6
231.13913	10.1
231.17435	26.6
232.13335	1.8
236.26006	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	231.1745
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
53.03963	1.4
55.01882	1.2
55.05520	2.5
57.03440	0.5
57.07069	0.8
60.21885	0.6
65.03920	1.0
67.05514	8.4
69.03431	3.5
69.07087	3.2
70.23254	0.6
70.47823	1.3
71.05000	6.1
79.05492	6.0
81.03426	1.3
81.07069	5.4
83.04984	1.0
83.08624	1.2
85.02908	1.9
85.06591	0.6
87.00851	0.6
91.05486	12.3
93.07055	8.0
95.04984	1.9
95.08604	3.7
97.02914	0.8
97.06543	1.2
97.10191	1.0
99.08111	0.9
103.05453	1.2
105.07040	22.6
107.08606	4.2
109.02908	1.0
109.06533	2.6
109.10150	2.4
109.62694	0.5
115.05483	1.9
116.06255	1.0
117.07028	17.0
117.96796	0.5
119.04971	1.6
119.08590	7.6
121.06495	2.2
121.10145	2.7
123.08076	1.9
123.11716	1.0
125.09634	0.8
127.03979	0.8
128.06245	2.6
129.07002	6.4
130.07794	10.8
130.08737	0.8
131.08597	5.6
133.06490	1.0
133.10135	6.0
135.08069	1.7
135.11696	1.0
137.09680	1.4
141.07030	0.7
142.07816	4.6
143.08574	13.0
144.09277	0.9
145.10132	100.0
146.10493	1.4
147.08031	3.2
147.11707	4.8
149.09607	1.7
155.08556	0.8
156.09335	1.4
157.10144	12.9
159.11699	5.9
161.09689	1.6
161.13220	1.6
163.11220	2.1
170.10893	1.1
171.08087	0.8
171.11699	7.3
173.09627	0.9
173.13286	3.6
175.01559	1.9
175.07579	6.3
175.11171	2.0
175.14806	0.8
176.14333	0.6
185.13306	2.0
187.14842	1.1
189.12738	2.0
189.16347	0.7
203.14333	1.4
203.17941	1.3
213.12900	3.0
213.16400	9.1
231.10155	1.3
231.12184	0.8
231.13976	7.0
231.17445	26.9
231.25096	1.3
232.20549	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	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
51.70499	0.2
57.03443	1.4
58.06602	0.4
60.08167	8.1
61.52457	0.2
70.57201	0.5
70.59092	0.2
71.04993	1.9
84.08146	0.3
85.02907	100.0
86.03233	0.8
89.06052	0.4
103.20460	0.2
119.27628	0.2
121.06608	0.2
129.07875	0.2
144.10196	1.8
173.08107	8.2
232.15422	18.1
233.15784	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	232.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.4
57.03434	1.3
65.54794	0.7
67.05508	12.8
68.39619	0.8
69.03418	1.8
69.07076	19.8
70.06580	2.0
71.05002	4.3
73.06545	0.9
76.02212	0.8
76.47848	0.8
79.05492	5.7
81.06592	1.8
81.07060	34.7
83.04986	2.0
83.08627	13.1
84.08134	2.0
85.02883	1.1
85.06535	4.4
86.09686	1.1
91.05494	7.4
93.07051	8.8
95.04979	2.2
95.08612	39.0
96.05296	1.8
97.06541	5.9
97.10187	4.2
99.08061	1.7
103.05453	1.2
105.07037	10.0
106.07416	1.0
107.08599	3.9
109.06519	2.9
109.10155	5.8
111.08076	2.2
111.68440	0.8
113.05988	1.9
114.06378	0.8
115.07582	1.4
117.06981	1.7
119.04967	1.3
119.08595	13.5
121.06537	1.8
121.10144	4.2
123.08096	4.7
127.07478	0.8
131.08580	1.4
133.06435	1.4
133.10155	9.1
134.05949	0.8
135.11705	4.0
137.09593	2.5
137.13280	7.0
141.05455	1.8
142.05801	3.1
144.08925	1.1
145.06438	1.3
145.10069	1.2
149.13206	1.2
151.11177	1.2
152.11552	1.5
159.11739	1.0
161.09599	0.7
161.13249	20.3
162.13582	0.8
175.11102	1.4
178.15910	1.1
179.14323	9.9
180.96321	0.8
196.16980	15.8
197.15393	4.6
197.17041	0.8
200.06371	0.8
204.13861	2.3
214.18025	100.0
215.18372	3.4
217.04530	0.8
217.14209	0.8
232.09729	0.9
232.13429	3.6
232.17082	2.0
232.19067	34.0
233.15372	1.9
233.19449	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	232.2061
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
50.31926	0.3
55.05500	0.3
57.07076	4.7
58.02111	0.2
60.14726	0.2
67.05495	0.6
69.07062	0.2
69.11784	0.2
70.06589	0.3
71.56424	0.2
74.24541	0.2
79.05479	0.4
81.07045	0.4
88.07610	0.3
91.05470	0.7
93.07030	0.7
95.08575	0.3
105.07018	1.5
107.08597	0.5
117.07020	0.3
118.06542	12.9
119.07399	0.3
119.08564	1.0
121.06477	0.6
121.10140	0.4
123.08051	0.2
131.08537	0.6
132.08092	3.8
133.08879	2.4
134.09656	0.7
145.10147	0.6
146.09622	3.8
146.10709	0.2
147.10527	0.4
147.11708	0.8
148.11143	0.2
149.09648	0.2
149.13159	0.2
157.10153	0.4
158.10413	0.2
159.11655	0.4
160.11143	0.5
162.12724	0.5
171.11641	0.2
173.13229	0.3
174.12785	0.5
175.08186	0.4
175.11169	1.4
176.14346	74.6
177.14679	2.1
187.14824	0.4
188.14357	0.6
189.15140	0.3
191.14200	0.3
202.15953	0.3
214.21786	0.2
232.20602	100.0
233.04393	0.3
233.09258	0.2
233.15327	1.0
233.19026	0.4
233.20969	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	232.2062
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
50.31924	0.3
55.30326	0.2
57.03427	0.2
57.07082	4.5
67.05527	0.2
70.83384	0.3
79.05482	0.4
81.07055	0.5
91.05488	0.6
93.07033	0.8
103.05478	0.4
105.07041	0.9
106.06601	0.2
107.08607	0.4
111.49146	0.2
112.07578	0.5
117.07011	0.2
118.06548	12.9
119.07358	0.3
119.08591	0.6
120.08121	0.2
121.06515	4.5
128.85396	0.2
129.29906	0.2
131.08508	0.2
132.08084	2.5
133.08870	1.4
133.10104	0.2
134.06013	1.2
134.09650	0.6
145.10150	0.4
146.05927	0.5
146.09644	3.5
147.08041	0.4
147.10411	0.3
160.11214	0.3
161.11922	0.3
162.12865	0.3
173.13260	0.3
174.12827	0.6
176.14355	73.7
177.14738	1.6
187.14919	0.2
188.10707	0.7
202.15839	0.3
214.08519	0.2
232.20613	100.0
233.15340	0.4
233.20963	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05051	10.5
69.07066	12.1
70.06606	14.0
70.84731	19.1
72.08159	55.0
76.02248	19.2
84.04490	20.0
86.09703	100.0
93.04528	11.6
118.58608	11.3
146.02264	10.3
188.57059	10.6
233.06351	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.02392	0.6
53.03933	0.9
55.01866	1.0
55.05511	1.0
57.03425	0.8
67.05505	1.4
69.07065	1.2
69.59785	1.9
71.04983	1.2
79.05492	6.1
81.07043	2.7
82.66223	0.6
83.05016	0.6
84.46841	0.6
87.73145	0.6
91.05486	6.5
93.07043	2.5
94.32522	0.5
95.04952	1.8
95.08610	1.8
103.05458	3.8
105.07021	9.0
107.04984	3.8
107.08588	1.1
108.55734	0.6
109.06510	0.6
115.05455	13.6
116.06219	2.6
117.07023	19.1
118.07393	0.6
119.08565	4.1
121.06490	1.5
121.10108	0.9
123.04417	0.8
123.08076	1.3
127.05456	0.8
128.06215	11.7
129.07008	15.7
130.07799	11.7
131.04008	0.9
131.04924	10.7
131.08580	4.4
132.05739	6.6
133.10126	2.1
135.04379	0.8
135.08119	0.9
135.11708	0.7
136.06206	0.7
137.05995	1.7
139.03934	0.8
141.06987	31.0
142.07794	3.3
143.04958	2.8
143.08560	20.7
144.04549	0.7
144.05701	13.7
144.09383	4.5
145.06490	39.3
145.10121	20.5
147.04482	1.5
147.08047	2.7
151.03922	0.8
153.05470	2.0
153.07033	3.1
154.06224	1.2
154.07805	1.5
155.04927	1.1
155.06015	6.2
155.08553	10.1
157.06493	6.6
158.07271	45.4
159.04413	2.4
159.08055	4.2
159.11694	1.5
160.05199	3.2
161.05977	2.4
161.09663	0.7
162.03227	1.1
163.03912	1.4
163.07643	0.8
163.11296	0.6
165.06998	1.0
167.07037	2.3
168.05663	1.7
169.06456	13.8
169.07634	1.6
170.07231	2.7
171.04379	1.6
171.08044	6.0
172.05203	5.4
172.08849	8.6
173.06004	8.7
173.09625	51.2
173.13304	2.1
174.06758	3.5
174.09973	1.0
175.03902	0.7
175.07538	2.7
175.11159	0.9
176.04691	1.3
177.05464	9.9
177.09174	1.0
183.04465	1.0
183.08031	2.2
183.09282	1.8
185.05934	1.7
186.06754	6.5
187.03891	1.6
187.07536	5.9
187.11232	0.8
187.14828	2.5
189.05472	1.9
189.09123	5.4
190.06247	1.9
191.07008	4.0
191.10707	0.7
192.07803	12.0
200.08359	3.3
201.09113	67.3
202.09641	3.2
203.07028	8.3
204.07753	1.6
205.04933	1.6
205.08565	8.6
215.03453	0.6
215.07062	2.6
215.14294	1.8
218.09406	7.3
233.04419	1.8
233.08334	5.9
233.11728	100.0
233.15097	7.3
234.08806	0.7
234.11893	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
53.68904	0.8
55.05516	2.4
56.05036	4.4
58.06606	1.3
58.99581	2.8
68.05025	3.6
69.07072	47.1
69.75587	3.6
70.02953	2.1
70.06607	1.3
70.84352	0.8
71.78102	0.9
72.07753	1.4
72.08159	21.1
74.06068	2.6
76.02233	8.7
83.06105	1.5
84.04511	100.0
84.08142	2.0
85.02912	5.9
85.04875	0.7
86.06081	14.6
86.09711	67.0
88.04007	7.6
92.63673	0.9
96.04500	1.9
98.02431	1.3
98.06014	0.8
98.22684	1.4
99.09186	1.3
101.07141	4.9
102.05540	4.5
104.07147	1.3
104.10748	20.5
110.02417	2.2
113.07127	1.6
114.05543	2.6
118.08662	6.3
120.06581	3.3
123.07996	1.1
127.08685	3.7
130.05013	95.3
131.04926	1.1
141.04813	1.3
142.04997	9.3
142.08607	1.7
144.06570	2.7
147.07640	9.0
152.07112	5.2
152.10707	1.7
159.04381	1.5
162.07655	1.9
167.38086	0.9
169.08618	10.1
169.09868	1.2
169.13365	6.4
170.02707	1.6
170.08139	1.5
170.11755	3.6
173.09207	1.7
187.05330	1.4
187.10872	7.4
198.07616	2.7
198.11273	20.2
205.05038	1.7
215.13928	53.8
216.12312	8.5
216.14224	1.5
226.10519	0.9
233.06184	1.6
233.11290	3.3
233.14957	22.2
239.65427	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	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
52.78054	1.7
53.03959	4.0
55.05525	9.0
56.05028	5.2
57.07076	5.0
58.06594	2.2
59.04998	3.6
59.90953	1.8
65.03938	4.5
67.05515	19.5
69.03441	4.3
69.07067	11.5
71.04990	10.5
71.29207	3.2
74.06081	4.3
79.05499	19.6
81.07061	42.7
82.64729	1.9
83.08670	1.9
85.02950	1.8
85.06548	4.3
88.07648	11.1
91.05482	46.9
92.06282	3.1
93.07046	45.1
95.04981	7.3
95.08610	44.3
97.06537	3.9
103.05476	5.5
105.07038	83.6
107.04992	5.1
107.08598	28.8
109.06509	10.4
109.10168	10.3
111.08081	3.3
112.89596	1.6
113.05993	3.2
113.09650	1.8
115.05423	2.4
116.06267	4.1
117.07029	22.6
118.08620	2.0
119.04924	4.2
119.08589	100.0
121.06528	12.7
121.10161	17.8
121.11475	1.9
122.08156	3.3
123.08051	8.6
125.06022	2.6
125.09638	4.1
129.06996	8.3
130.07813	6.7
131.08577	57.3
131.09508	3.8
133.06482	3.3
133.10132	42.8
134.10962	16.2
135.04430	2.4
135.08032	8.9
135.11693	6.7
137.05980	2.3
137.09543	2.5
139.07520	4.0
142.07753	2.8
143.08586	7.8
144.09341	2.7
145.06529	5.0
145.10130	63.0
147.08046	12.7
147.11678	14.9
149.09604	6.3
151.07513	2.5
155.08569	3.7
156.09373	2.4
157.10162	6.5
158.07289	2.3
158.10922	3.1
159.08141	13.1
159.11691	35.2
161.09656	3.2
163.07529	4.2
163.11226	4.2
169.10162	5.0
171.11690	7.5
172.09019	2.0
172.12372	2.3
173.09654	13.7
173.13268	43.7
175.11165	10.0
177.09138	13.1
177.12744	2.2
186.18520	16.5
187.11220	8.3
187.14838	47.7
189.12764	2.8
189.16444	3.0
191.10750	4.8
191.14297	3.5
197.13242	6.0
204.92714	2.0
205.15868	5.4
215.10840	4.1
215.14308	32.1
215.17722	2.1
233.07977	2.1
233.11685	7.7
233.15378	96.8
233.19064	5.3
234.15878	2.4
234.20653	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03960	0.8
55.05507	1.5
57.07066	2.3
67.05508	6.0
69.03432	4.7
69.07067	2.5
71.05000	1.0
71.28781	1.0
79.05490	4.9
81.07063	5.8
83.04984	1.4
83.08646	0.9
85.06554	1.7
86.09698	1.7
91.05486	8.3
93.07061	6.0
94.72375	0.7
95.04978	5.9
95.08624	3.7
95.55663	0.7
97.06537	0.7
103.05436	1.9
105.07024	9.6
106.07812	0.8
107.04962	2.7
107.08614	6.9
109.06508	3.9
109.10177	1.6
111.30360	0.7
115.05437	0.9
116.06264	0.7
117.07008	2.8
119.08579	12.4
120.08115	2.1
121.06516	9.7
121.10170	5.8
123.04414	3.1
123.08069	2.6
129.07013	2.6
130.07756	1.4
131.04938	5.3
131.08571	16.4
133.06482	0.9
133.10139	4.6
135.08055	5.2
135.11700	0.7
137.09628	2.2
137.97008	0.6
141.06967	1.0
142.07790	1.5
143.08566	4.0
144.09331	0.8
145.06499	1.9
145.10126	14.6
147.08072	2.1
147.11697	3.0
149.05913	0.9
149.09622	9.4
155.08569	1.9
156.09323	2.1
157.10117	6.7
158.07274	1.2
158.10861	1.6
159.04414	6.0
159.08069	10.2
159.11662	5.9
161.13298	1.6
163.03889	2.1
163.07549	0.7
163.11151	0.8
167.08575	3.5
168.09288	0.9
169.10092	3.7
171.11685	4.6
172.12453	2.6
173.09608	6.9
173.13284	9.8
174.10327	0.7
175.11211	3.2
177.05467	3.2
177.09123	2.8
182.10913	9.0
185.09608	1.0
187.03905	3.5
187.11203	2.3
187.14793	7.5
189.12753	2.3
191.14288	1.9
197.13271	17.5
200.11963	3.4
205.04984	6.8
215.03366	2.0
215.14323	32.5
216.14644	1.9
233.04439	6.4
233.15364	100.0
234.15753	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	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	1.8
55.05511	3.5
55.85461	0.9
57.07068	2.0
59.04993	1.4
64.38341	1.0
65.03925	1.1
67.05512	8.0
69.03416	3.5
69.07068	7.1
71.04998	15.2
71.28793	1.8
71.81689	1.1
79.05503	10.0
81.03416	4.1
81.07072	10.2
83.04963	1.9
85.02870	1.7
85.06542	2.3
86.09695	2.8
91.05484	35.2
93.07045	16.4
93.68586	1.0
95.04983	2.5
95.08603	17.9
97.06533	6.3
99.04436	1.6
103.05466	2.9
104.06280	1.3
105.07035	40.4
107.04960	2.5
107.08594	10.7
109.06532	4.9
109.10134	2.0
111.08096	1.1
113.09642	4.8
115.05428	2.4
116.06274	1.3
117.07027	14.9
119.04944	1.9
119.08585	100.0
120.08072	2.0
121.06505	10.1
121.10136	6.9
123.08067	3.2
125.05967	1.7
125.09602	1.7
128.06238	1.4
129.06999	5.9
130.07790	3.0
131.04865	2.0
131.08574	42.2
133.06490	2.5
133.10123	11.8
134.10924	1.3
134.17458	1.1
135.08066	8.7
135.11700	1.8
137.05992	6.1
137.09615	4.7
139.07516	2.7
143.08562	5.3
144.09337	2.3
145.06474	4.3
145.10127	38.5
146.05984	2.4
147.08054	20.7
147.11696	2.8
149.09602	6.1
151.07568	2.9
155.08566	1.2
156.09369	1.4
157.10138	2.9
158.07285	2.3
159.04320	1.4
159.08125	5.2
159.11685	11.1
161.09608	3.4
161.13251	1.4
163.03839	1.0
163.07553	4.2
163.11211	6.3
167.08562	1.1
169.10159	3.4
171.11702	1.9
172.08844	2.4
173.09628	13.2
173.13261	9.8
175.07530	1.9
175.11234	1.8
177.05484	1.1
177.09132	4.5
187.11186	10.1
187.14828	15.0
191.10667	2.0
191.14354	1.5
192.62241	1.0
197.13304	2.2
205.04892	2.2
205.15884	5.7
215.10764	5.5
215.14307	12.2
233.04393	1.7
233.11882	6.5
233.15370	41.9
233.18915	1.6
234.15599	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	233.1538
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03942	2.0
55.05505	3.1
56.05034	2.1
57.07074	1.7
60.15048	0.7
65.03948	0.7
67.05506	4.3
69.03432	1.3
69.07071	3.4
70.88182	1.3
71.04991	1.7
71.08626	1.2
71.56051	0.8
74.06075	1.1
76.12878	0.8
79.05502	8.4
81.07063	16.3
83.08630	0.8
85.06556	0.9
87.86574	0.7
88.07639	6.7
91.05486	17.1
92.06258	2.1
93.07051	21.9
95.04973	2.4
95.08614	15.1
97.06525	1.3
99.04461	2.0
99.06076	0.6
99.12571	0.7
103.05455	1.2
104.07063	0.8
105.07043	23.1
106.07809	2.1
107.04924	0.8
107.08601	12.7
109.06539	1.0
109.10146	2.4
111.08098	2.7
115.05434	0.7
117.07022	6.1
119.08588	100.0
120.08908	2.2
121.06506	3.1
121.10155	18.1
122.08160	0.9
122.10400	0.7
123.08052	1.3
123.11792	0.7
125.09648	0.7
129.07048	1.0
131.04933	1.2
131.08586	10.8
133.10141	20.4
134.10930	31.3
135.08063	3.8
135.11690	1.7
137.09596	1.4
139.07547	0.9
143.08562	1.3
144.09352	1.1
145.06503	1.4
145.10136	12.0
145.39539	0.6
147.08043	1.4
147.11749	3.7
149.09651	1.4
149.13368	0.7
157.10158	1.8
159.08142	3.3
159.11717	17.3
161.09628	1.8
161.13316	2.2
163.11223	0.8
169.10150	1.0
171.11772	1.0
173.09634	4.9
173.13271	3.2
175.11200	1.6
177.09102	4.1
177.12805	0.8
186.18555	10.8
187.11179	2.0
187.14827	14.1
191.10785	1.1
197.13228	2.6
205.05008	1.7
205.15868	1.3
215.14288	6.5
215.17796	1.2
233.04326	1.1
233.07918	0.7
233.11778	1.5
233.15392	34.3
233.19089	2.8
234.15718	1.5
234.20651	17.2
243.60802	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	233.1538
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.64607	0.7
53.03951	3.3
55.01877	0.8
55.05516	3.9
57.07076	0.4
59.04094	0.4
65.03962	0.4
66.44978	0.3
67.05499	1.2
69.03442	4.6
69.07085	1.0
71.04984	1.1
77.03926	0.7
79.05499	53.9
80.05831	0.7
80.06284	0.5
81.07073	2.8
83.04971	1.4
83.08624	6.2
91.05456	3.0
93.07047	5.1
95.04979	4.0
95.06305	0.4
95.08611	1.6
97.06542	0.9
99.08104	0.4
103.05492	0.6
105.04510	1.4
105.07037	7.0
107.04961	60.5
107.08595	9.7
108.05306	0.9
109.06548	1.2
109.10152	1.1
111.04412	0.7
111.08086	5.7
117.07011	0.6
119.08593	6.0
121.06496	2.2
121.10155	5.7
122.91918	0.4
123.08075	1.4
123.11719	0.9
125.09636	3.2
129.06967	0.7
131.08575	5.1
133.10136	6.5
135.08049	1.5
137.09660	0.6
142.07759	0.6
143.08617	0.5
145.06442	0.5
145.10107	3.5
147.08099	0.5
147.11697	10.1
148.12108	0.4
149.09628	7.0
149.13268	3.9
150.10390	0.8
153.09114	0.5
155.08595	0.3
156.09384	0.5
157.10115	2.9
158.10910	1.7
159.08118	0.4
159.11670	1.0
160.08835	1.4
163.11226	0.8
163.62233	0.4
167.08577	0.5
173.09624	0.9
173.13257	5.3
174.20357	0.4
175.11206	10.0
175.14757	0.8
182.11005	0.8
187.14816	0.8
190.13658	0.4
191.14322	73.9
192.14705	1.9
197.13260	1.6
215.08310	0.4
215.14360	1.6
215.17868	0.5
233.15375	100.0
234.15688	3.0
234.69371	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	233.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	1.8
55.05511	3.5
55.85461	0.9
57.07068	2.0
59.04993	1.4
64.38341	1.0
65.03925	1.1
67.05512	8.0
69.03416	3.5
69.07068	7.1
71.04998	15.2
71.28793	1.8
71.81689	1.1
79.05503	10.0
81.03416	4.1
81.07072	10.2
83.04963	1.9
85.02870	1.7
85.06542	2.3
86.09695	2.8
91.05484	35.2
93.07045	16.4
93.68586	1.0
95.04983	2.5
95.08603	17.9
97.06533	6.3
99.04436	1.6
103.05466	2.9
104.06280	1.3
105.07035	40.4
107.04960	2.5
107.08594	10.7
109.06532	4.9
109.10134	2.0
111.08096	1.1
113.09642	4.8
115.05428	2.4
116.06274	1.3
117.07027	14.9
119.04944	1.9
119.08585	100.0
120.08072	2.0
121.06505	10.1
121.10136	6.9
123.08067	3.2
125.05967	1.7
125.09602	1.7
128.06238	1.4
129.06999	5.9
130.07790	3.0
131.04865	2.0
131.08574	42.2
133.06490	2.5
133.10123	11.8
134.10924	1.3
134.17458	1.1
135.08066	8.7
135.11700	1.8
137.05992	6.1
137.09615	4.7
139.07516	2.7
143.08562	5.3
144.09337	2.3
145.06474	4.3
145.10127	38.5
146.05984	2.4
147.08054	20.7
147.11696	2.8
149.09602	6.1
151.07568	2.9
155.08566	1.2
156.09369	1.4
157.10138	2.9
158.07285	2.3
159.04320	1.4
159.08125	5.2
159.11685	11.1
161.09608	3.4
161.13251	1.4
163.03839	1.0
163.07553	4.2
163.11211	6.3
167.08562	1.1
169.10159	3.4
171.11702	1.9
172.08844	2.4
173.09628	13.2
173.13261	9.8
175.07530	1.9
175.11234	1.8
177.05484	1.1
177.09132	4.5
187.11186	10.1
187.14828	15.0
191.10667	2.0
191.14354	1.5
192.62241	1.0
197.13304	2.2
205.04892	2.2
205.15884	5.7
215.10764	5.5
215.14307	12.2
233.04393	1.7
233.11882	6.5
233.15370	41.9
233.18915	1.6
234.15599	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	234.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05513	12.6
56.04318	0.7
57.07077	18.6
70.62254	1.7
79.05483	0.9
79.98155	0.8
81.07073	1.3
84.08148	0.9
85.01124	1.6
86.00648	1.0
87.08109	100.0
88.08447	1.2
91.05470	0.9
93.07043	0.6
95.05018	0.7
95.08611	0.7
102.03766	1.0
105.07033	1.2
115.05489	0.8
120.08118	4.3
121.06516	0.7
131.01633	1.8
132.01161	2.7
133.10013	0.9
136.06195	3.4
146.05994	1.3
146.10472	0.9
148.04276	8.6
159.04692	1.6
161.06009	0.9
170.06047	2.8
198.05498	5.8
202.08994	5.5
206.08374	0.8
216.06677	3.4
234.11620	5.5
234.13443	0.9
235.13033	0.7
235.16966	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05546	1.7
57.03460	1.5
57.07106	0.9
58.06630	0.5
67.05528	0.6
69.07068	6.5
69.24113	0.8
69.24513	1.8
72.08165	2.0
79.05502	2.0
81.07065	5.0
81.07463	0.5
86.09739	1.8
89.59092	0.4
91.05511	1.6
93.07070	1.6
94.04087	1.2
95.04978	0.7
95.08592	0.5
97.06539	2.8
98.23429	0.4
103.05476	3.9
105.07056	1.2
107.08625	0.7
109.29692	0.4
115.05474	1.8
117.07037	0.8
118.06533	2.3
119.03526	2.7
119.04251	0.4
120.08107	28.3
121.06510	6.5
121.08421	0.8
123.04436	2.1
128.04964	1.0
128.06238	0.6
129.07024	3.0
130.04202	0.4
130.06508	0.8
131.04915	1.8
133.06479	0.7
136.06189	100.0
137.04572	1.4
137.06624	0.4
138.09198	0.9
141.18774	0.4
143.04922	1.8
143.08577	0.8
144.08041	1.2
145.06514	0.8
146.06018	5.5
147.04422	1.8
148.05168	1.2
148.07594	0.7
149.05995	3.7
149.09679	0.4
157.06483	2.3
158.76559	0.4
160.05197	0.8
160.07545	0.7
161.05986	19.4
162.06737	1.0
164.07083	2.5
166.08624	0.5
171.08025	0.8
171.11702	1.2
175.06020	0.5
175.07549	9.8
188.07027	3.7
189.09023	2.5
190.10867	1.8
199.11131	1.5
206.08153	5.2
216.06601	0.6
216.18341	0.4
217.12248	15.4
234.13385	57.6
235.13629	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	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79147	0.2
55.05513	1.6
56.05037	0.8
57.03442	2.4
57.07056	0.3
67.05504	0.3
69.42883	0.4
69.43272	0.9
70.06608	0.3
79.05500	1.5
81.07052	5.1
83.04998	0.3
85.01099	0.3
86.09692	0.5
88.04014	0.5
91.05488	2.9
93.07055	0.5
94.04055	1.3
95.04972	0.5
99.08067	0.3
103.05488	0.7
104.10727	0.6
105.07055	0.4
117.07011	0.3
119.03539	2.9
120.08112	3.3
121.06514	0.7
121.08414	0.5
121.95882	0.3
123.04444	0.3
127.13557	0.3
129.07024	0.6
136.06189	100.0
137.04626	2.6
137.06577	0.7
146.06013	0.5
147.04424	0.5
148.06256	0.5
148.07507	0.3
158.06032	0.3
188.06993	0.5
190.10861	1.4
206.08188	0.6
207.02925	0.5
216.06563	0.6
234.13490	62.2
235.02339	1.2
235.13654	1.6
235.16937	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	234.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05579	2.3
57.03510	1.6
57.07129	0.5
58.06650	0.9
61.83998	0.4
69.07077	3.9
72.08210	1.1
78.71727	0.4
79.05553	1.4
80.91515	0.3
81.07062	5.0
91.05487	2.0
93.05260	0.3
93.07097	0.7
94.04115	1.1
96.90027	0.4
98.23389	0.9
99.08171	0.5
103.05513	1.3
105.07076	1.3
109.05166	0.5
115.05442	2.1
117.07050	1.0
119.03547	3.1
119.04916	0.4
119.08634	0.4
120.08114	0.8
121.06517	2.5
123.04432	3.3
128.06247	1.4
129.07005	6.3
130.04172	1.0
131.04955	2.9
133.06517	1.0
136.06194	100.0
137.04581	1.6
137.05978	1.5
142.07726	0.7
143.04919	2.4
143.08556	1.7
145.06448	0.8
146.06009	1.0
147.04431	4.0
147.08040	0.5
148.05150	1.7
149.05989	7.8
151.07527	0.6
157.06464	3.4
160.05145	1.4
161.05988	15.7
162.06787	2.9
163.07495	0.8
164.07077	20.8
170.07312	0.5
171.07965	1.2
171.11664	2.4
173.05954	0.6
174.06726	0.5
175.07559	17.3
176.08157	0.5
184.08749	1.1
188.08209	1.2
189.08998	0.9
189.79860	0.5
190.10805	1.4
199.11182	1.9
217.12254	16.5
218.12273	0.5
226.49800	0.4
229.36235	0.4
234.13260	49.3
235.13556	1.5
243.56075	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	234.9173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74767	1.1
63.21614	1.1
68.49245	1.3
69.05733	10.6
136.94034	100.0
176.34618	1.4
238.69093	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	235.0577
Annotation	Benzo[b]naphtho[2,1-d]thiophene
Peak:m/z	Relative Intensity
57.07077	48.6
59.09691	2.3
70.06584	9.6
72.08141	3.3
81.75938	2.7
89.10779	3.6
91.05484	5.1
109.10234	2.9
110.07153	12.0
115.05431	3.6
117.07060	2.6
119.04926	3.0
119.08544	3.0
133.06560	3.1
147.04413	14.9
147.07964	2.9
179.10672	24.0
189.05240	5.3
189.06657	8.0
220.92365	2.4
223.81932	2.3
228.81128	2.8
235.05772	50.0
235.11771	10.7
235.16930	100.0
236.17447	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	235.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.5
57.07082	0.8
69.98888	1.3
70.06597	25.9
81.04543	2.7
82.05324	13.5
83.06115	5.1
93.04539	2.9
95.06105	1.7
98.06035	0.7
104.33134	0.4
110.07170	72.8
110.54579	0.3
111.07497	1.5
113.07159	0.5
121.04008	2.1
121.07581	0.7
122.07089	0.5
123.04481	0.5
123.05505	0.9
123.95283	0.4
125.07101	1.0
137.07100	1.3
138.06644	2.7
142.14049	0.4
148.05093	0.6
149.07140	2.2
154.07373	0.8
162.10275	11.2
166.06125	4.7
190.09758	1.4
191.91304	0.4
203.23557	0.4
207.12451	5.4
217.10966	3.8
218.09215	0.8
235.05856	1.9
235.11908	100.0
236.12193	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	235.1329
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
51.76665	1.2
55.05504	1.6
57.07072	3.5
67.05508	6.9
68.58576	1.3
68.65807	1.3
69.07077	2.5
70.12423	3.1
71.04994	6.2
72.94510	1.3
73.23812	1.5
79.05508	7.5
81.07078	7.4
91.05481	21.1
93.07048	17.0
95.08602	3.5
105.07029	3.8
106.48946	1.3
107.08591	5.9
109.10168	2.2
115.05335	1.2
117.07037	8.2
117.94702	1.3
119.08579	70.8
120.08923	1.8
121.10138	5.5
121.64825	1.5
123.08090	1.4
129.06985	5.7
131.08517	1.2
132.05702	2.8
133.10144	3.0
135.11665	2.1
147.08047	100.0
147.11705	2.6
149.13261	1.6
159.11716	1.6
175.14813	2.2
179.10672	2.4
217.15742	2.0
235.05927	2.2
235.11028	2.9
235.16904	12.6
235.20461	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	235.1328
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02386	1.2
53.03939	5.1
53.35237	1.1
55.01869	8.0
55.05515	14.2
57.03453	1.7
57.07073	4.9
59.04992	3.3
65.03941	3.1
66.04720	1.1
67.05507	17.5
69.03427	5.5
69.07069	10.0
70.72292	2.2
71.04994	12.5
71.08643	1.3
77.03912	1.9
79.05493	68.3
80.05840	1.5
81.03406	1.9
81.07058	93.2
82.07392	1.8
82.89555	1.3
83.04980	17.2
83.08628	2.0
85.06543	2.8
91.04902	2.0
91.05480	45.1
93.07044	61.3
95.04966	27.6
95.08606	18.4
97.06526	30.2
99.04445	5.5
99.08101	2.2
101.05976	2.3
103.05472	3.3
104.07101	1.4
105.04535	2.4
105.07028	66.8
107.04961	11.7
107.08592	39.5
109.06518	46.6
109.10166	6.6
110.06715	1.2
111.04475	1.8
111.08060	3.1
113.06010	3.7
115.05466	3.8
117.07017	9.4
119.04932	3.7
119.08576	44.1
121.06506	97.1
121.10143	9.4
122.07335	2.0
123.04428	9.4
123.08054	11.0
125.05992	8.5
127.07560	24.3
128.06213	7.3
129.05498	1.6
129.06989	18.2
130.07826	2.7
131.08559	17.2
133.06500	13.1
133.10127	26.2
135.04460	5.8
135.08052	36.8
135.11700	3.7
136.08838	2.9
137.05962	14.3
137.09634	4.6
139.07520	5.2
141.05452	2.3
141.06996	3.7
141.09148	1.6
142.07779	18.8
143.08559	39.4
144.05743	1.4
144.08922	1.1
145.06485	4.2
145.10118	17.8
146.07269	1.7
147.08052	16.9
147.11684	38.3
148.11909	1.3
149.05998	2.9
149.09612	3.4
149.13266	1.6
151.07573	2.9
151.11238	2.0
153.06979	1.5
155.08534	6.1
156.09308	14.7
157.06516	2.4
157.10126	49.5
159.08057	4.2
159.11676	6.4
160.08865	3.3
161.05942	4.3
161.09650	10.7
161.13257	19.2
162.10411	2.4
163.07559	2.8
165.06984	1.4
165.12740	4.0
166.07751	3.7
167.07059	2.0
171.08049	2.6
171.11691	41.2
173.09612	8.5
173.13251	4.2
174.10359	1.7
175.07539	4.2
175.11189	54.2
175.12706	2.8
175.14763	2.9
177.12807	2.2
179.07034	2.1
179.10681	4.2
181.10110	8.5
184.08835	3.8
187.11156	1.4
189.09151	2.0
189.11017	2.5
189.12744	51.1
189.16428	3.3
190.13123	2.0
191.14355	1.8
193.12338	1.3
199.11179	50.9
207.13791	1.9
217.12241	100.0
217.15849	6.8
218.12352	2.5
235.05940	2.1
235.09496	5.0
235.13289	91.6
235.16844	22.4
235.20526	2.0
236.13612	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	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03938	5.4
55.01862	8.1
55.05519	12.5
57.03445	2.3
57.07077	7.3
57.86872	2.8
59.59818	2.4
64.25633	2.0
65.03934	2.9
67.05506	18.4
67.82160	2.1
69.03419	8.0
69.07072	11.4
71.04990	9.5
79.05494	57.5
81.03385	3.4
81.07059	85.3
83.04978	16.3
85.06538	5.6
88.11293	4.8
91.05477	39.5
93.07043	50.1
95.04961	21.9
95.08642	15.4
97.06535	28.6
99.04453	7.4
99.33511	2.2
103.05443	3.5
104.07108	2.6
105.07037	63.9
107.04957	14.6
107.08588	33.3
109.06522	51.9
109.10189	5.8
111.08068	3.2
113.06008	5.6
115.05462	3.9
116.06300	2.1
117.07043	6.2
119.08578	31.8
120.08100	25.6
121.06512	100.0
121.10146	9.4
123.04441	8.8
123.08051	7.9
125.05986	7.1
127.07566	18.6
128.06212	5.4
129.06999	13.3
130.07718	4.0
130.69476	2.3
131.04976	2.3
131.08553	18.6
132.05719	2.6
133.06467	14.4
133.10127	23.4
135.04413	6.2
135.08049	25.4
135.11740	3.2
137.05974	12.2
137.09599	5.8
139.07513	4.5
141.06981	4.6
142.07797	15.3
143.08575	29.2
145.06554	4.7
145.10126	14.4
147.08087	14.3
147.11708	31.3
149.09593	3.9
155.08557	4.9
156.09424	11.6
156.10561	2.3
157.06551	3.8
157.10123	40.8
159.08047	3.6
159.11707	4.5
160.08823	3.8
161.06007	4.2
161.09613	7.2
161.13266	11.8
163.07584	2.8
165.12773	2.9
166.07881	5.7
167.07040	3.3
171.08089	3.3
171.11688	35.9
173.09644	4.2
175.07552	6.3
175.11192	51.7
175.14873	4.6
177.12695	2.4
179.10669	4.4
181.10059	9.1
184.08850	2.9
189.05408	3.2
189.12755	41.2
189.16389	4.1
191.14070	2.5
199.11160	44.7
199.14835	3.5
217.12253	82.2
217.15681	5.2
218.12584	3.6
234.39941	2.7
235.05994	6.5
235.09648	4.7
235.13295	55.4
235.16815	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	235.1329
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03947	4.6
55.01876	6.1
55.05515	6.6
57.07064	1.2
57.49471	1.0
59.04990	1.5
65.03937	2.6
67.05507	14.6
69.03418	3.9
69.07072	6.7
70.44227	2.8
71.04994	8.1
79.05493	57.8
81.07061	72.8
83.04994	13.3
85.06532	3.9
91.05485	28.7
93.07047	45.4
93.07543	0.8
95.04972	16.3
95.08624	7.2
97.06535	26.6
99.04471	6.3
101.02375	1.0
101.06031	2.1
103.05481	2.5
105.04514	2.0
105.07032	50.5
107.04965	10.0
107.08593	22.1
109.06522	46.4
109.10184	1.6
111.04446	2.4
111.08071	1.5
113.05992	3.0
115.05466	3.2
117.07021	8.2
119.04945	1.8
119.06190	1.1
119.08580	24.7
121.06508	100.0
121.10132	3.4
122.07278	2.0
123.04420	7.9
123.08044	4.7
125.05983	5.7
127.07554	21.6
128.06216	6.3
129.05518	1.6
129.07007	13.7
130.07751	1.6
131.08563	12.9
133.06500	10.8
133.10127	17.7
135.04428	5.8
135.08057	28.2
135.11716	1.4
137.05974	11.7
139.07520	5.0
141.05458	1.1
141.07001	3.9
142.07777	16.0
143.08574	29.5
145.06477	3.4
145.10141	12.7
146.07259	1.0
147.08041	12.7
147.11693	24.3
149.05992	2.4
150.11227	0.9
153.09135	1.1
155.08542	4.8
156.09341	12.6
157.06496	3.3
157.10132	40.1
157.11441	2.2
158.07257	1.4
158.10535	1.0
159.08047	4.1
159.11697	3.5
160.08835	2.3
161.06027	1.7
161.09660	6.0
161.13281	15.1
162.10310	1.6
163.07454	1.3
165.07024	3.0
166.07770	5.8
167.07001	1.3
169.06595	0.9
171.08044	2.3
171.11699	29.8
173.09602	4.9
173.13284	1.3
175.07619	2.1
175.11194	48.3
176.11536	1.6
177.87810	1.0
179.10666	1.1
181.10156	7.1
184.08820	3.8
189.12759	40.7
189.16422	2.7
190.13115	1.3
191.07047	0.9
193.12245	1.5
199.11186	48.9
200.11478	1.5
217.12247	82.3
217.15739	3.0
218.12550	3.4
235.13283	61.6
235.16756	7.4
236.13638	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	235.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
57.07076	9.3
67.05511	6.4
69.07077	5.0
69.24496	2.3
71.05013	7.0
71.29461	3.6
73.43195	2.2
73.96886	2.4
78.87146	2.2
79.05492	2.8
81.07053	7.7
84.83690	2.3
91.05493	16.3
93.07047	7.8
95.08606	11.2
97.06511	2.7
103.67598	2.6
105.07004	7.8
107.08603	7.2
109.06508	2.9
109.10187	6.3
117.07048	11.5
119.08593	91.9
121.06485	3.0
121.10152	6.4
128.06236	2.9
129.07053	4.9
131.08488	2.8
133.10165	7.3
135.08067	3.2
135.11716	2.6
147.08058	100.0
147.11678	5.7
149.09650	2.5
152.82677	2.4
161.13255	4.6
165.09077	2.3
166.29118	2.6
175.11174	2.9
179.10698	6.5
189.05486	2.5
189.12764	4.3
189.16440	7.9
217.15947	4.7
235.06123	3.1
235.13272	3.9
235.16904	25.7
235.20500	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	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.28584	2.0
55.01876	2.9
55.05510	13.9
55.29510	1.9
56.05032	5.4
57.07085	10.6
58.06606	2.0
59.05007	5.2
65.03935	4.1
67.05505	27.0
69.03427	5.5
69.07082	20.0
70.64771	3.8
70.65082	2.8
71.05003	38.5
74.06071	3.9
79.05500	15.6
81.07058	41.4
83.04990	6.3
83.08617	5.9
86.55706	2.1
88.07619	11.1
89.06033	6.3
89.07960	3.2
91.05482	22.5
93.07050	37.4
95.04956	13.6
95.08611	33.0
97.06556	4.2
97.10153	2.6
99.08121	3.9
105.07035	57.1
107.08604	71.0
109.06525	9.0
109.10168	46.0
109.10912	3.1
111.08090	21.2
117.06986	3.5
119.08586	50.1
120.08909	3.6
121.06533	7.2
121.10140	30.6
122.10452	2.7
123.08066	7.1
123.11696	5.3
125.05991	4.3
125.09660	32.1
127.07581	2.9
127.11212	8.3
131.08565	19.5
133.10129	41.2
135.08090	5.7
135.11723	25.2
137.09662	5.6
139.07510	2.1
142.07762	4.4
143.08569	7.9
145.10115	22.6
147.08032	9.2
147.11694	77.0
149.05888	2.2
149.09615	8.4
149.13287	4.5
151.07530	2.6
151.11229	3.2
157.10176	10.4
159.11726	8.8
161.09641	10.9
161.13246	9.1
163.11243	5.2
165.09140	4.3
165.12785	11.5
173.13289	5.4
175.11234	10.7
175.14832	18.3
177.12743	4.2
179.10721	8.2
187.18863	26.2
189.16402	49.7
193.15872	7.0
199.14848	9.6
204.65497	2.1
207.17496	3.2
217.12399	2.8
217.15872	42.4
217.19870	2.4
235.06041	3.0
235.16966	100.0
235.20851	52.6
236.17258	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	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.83443	1.9
55.05515	14.4
56.05027	3.1
57.07091	10.2
59.05000	2.8
60.21462	2.0
63.36306	2.3
65.03949	2.8
67.05507	18.8
69.03422	4.0
69.07070	13.8
69.15021	19.0
71.04992	37.3
71.50381	2.2
71.83721	2.0
73.06562	3.7
74.06085	2.6
75.35718	2.0
78.72041	2.0
79.05499	16.1
81.07060	30.4
83.04985	5.9
83.08631	4.9
85.06517	3.5
88.07606	5.8
89.06036	10.6
89.07983	3.2
91.05476	27.3
93.07048	36.8
95.04955	14.9
95.08043	3.5
95.08608	30.8
97.06518	4.8
97.10172	3.0
99.08100	3.3
103.05499	2.7
104.07095	2.4
105.07037	63.7
107.08598	94.4
109.06506	11.1
109.10153	49.2
111.08077	24.6
113.15816	2.0
115.05450	7.7
117.06996	4.9
119.08582	53.2
119.09448	2.6
121.06494	6.0
121.10137	25.3
123.08054	4.6
123.11703	3.7
125.09637	39.9
127.07549	2.3
131.08577	16.7
133.06496	7.7
133.10136	36.8
135.08070	2.7
135.11691	26.2
137.09631	5.8
139.03821	2.3
143.04939	2.7
143.08621	4.0
145.10123	31.2
147.04416	6.3
147.08034	8.9
147.11690	88.4
148.12032	2.6
149.09621	9.4
149.13269	5.0
151.07497	3.1
153.01883	4.9
153.12749	4.2
157.10136	8.3
159.11653	9.4
161.06020	13.2
161.09622	11.6
161.13280	6.8
163.11220	6.4
165.09125	4.8
165.12721	12.8
171.04388	5.2
171.11746	3.0
173.13271	7.4
175.03902	5.7
175.11192	12.2
175.14886	19.0
179.07022	8.3
179.10677	5.5
187.18896	9.7
189.05438	16.7
189.16370	47.0
190.05858	2.4
191.07056	2.2
191.14305	2.3
193.04945	15.3
193.15953	6.8
199.03955	2.4
199.14796	9.3
207.06532	9.6
217.04959	21.2
217.15871	39.4
235.05975	20.6
235.16940	100.0
235.20728	18.5
236.17177	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	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.16245	1.1
53.03916	1.8
55.01862	3.7
55.05503	13.7
57.07069	7.6
58.32957	1.3
59.04988	4.1
65.03935	1.9
67.05508	25.2
69.03421	5.3
69.07073	14.2
71.04600	1.9
71.04993	31.0
73.06533	1.3
79.05492	14.9
81.07057	34.5
83.04984	7.1
83.08633	6.8
85.06561	3.3
87.08092	1.5
89.06042	9.2
91.05479	19.8
93.07044	29.4
95.04984	13.9
95.08610	28.9
97.06516	4.2
97.10150	3.1
99.04438	4.8
105.07031	54.4
107.04925	2.3
107.08597	83.4
108.08903	2.5
109.06522	12.2
109.10156	40.3
111.07355	2.1
111.08087	23.3
113.06004	1.4
115.05454	1.3
117.06997	3.2
119.06096	1.5
119.08582	46.0
121.06490	5.5
121.10136	25.9
123.04434	2.9
123.08032	7.2
123.11694	3.1
125.06091	1.3
125.09633	37.3
127.07576	2.9
127.11191	2.4
129.06964	1.8
130.07802	2.0
131.08569	18.9
133.06435	1.5
133.10135	34.0
135.08051	5.0
135.11696	25.6
137.06020	2.2
137.09616	5.2
142.07748	3.3
143.08536	4.7
145.10123	21.8
147.08034	9.3
147.11687	88.8
148.12018	2.1
149.09628	9.3
149.13275	5.2
151.07484	1.8
153.12721	2.0
157.10115	9.0
159.11696	13.8
161.09628	9.2
161.13284	6.7
163.11139	7.1
163.14964	1.6
165.09149	3.2
165.12755	14.8
171.11794	1.8
173.13266	7.8
175.11212	9.7
175.14833	14.6
177.12830	2.5
179.10683	7.4
189.12773	4.7
189.16380	50.8
191.14256	1.7
191.17976	1.5
193.12347	2.3
193.15910	6.6
199.14761	9.2
207.17610	1.5
217.15874	44.9
218.16223	1.5
235.06021	3.0
235.16934	100.0
236.17276	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	235.1692
Annotation	Cyclodehydroisolubimin
Peak:m/z	Relative Intensity
50.93912	0.6
53.03936	1.1
55.01874	1.2
55.05518	3.2
57.07063	1.0
59.04997	1.2
66.88106	0.7
67.05508	3.3
69.03424	2.4
69.07072	15.2
70.59288	1.3
71.04993	1.2
79.05495	6.8
81.07062	13.3
83.04970	0.8
88.02692	0.6
91.05474	3.4
93.07034	4.6
95.04423	0.7
95.04940	3.2
95.08609	11.1
97.06566	0.8
103.05463	1.5
105.07039	8.0
107.04951	0.9
107.08593	3.1
109.06527	8.6
109.10177	2.2
111.08112	0.8
111.11732	1.4
117.06992	1.0
117.16127	0.7
119.08576	3.4
121.06513	1.7
121.10143	2.0
123.04409	2.2
123.08075	8.9
127.07600	0.7
131.08511	1.6
133.06505	3.4
133.10117	3.9
137.05980	100.0
138.06317	2.0
143.08562	0.7
145.10118	1.3
147.08037	0.9
147.11676	2.6
149.09627	1.6
151.07549	75.3
152.07887	1.7
159.11707	1.4
161.09630	1.4
161.13269	1.0
163.11180	0.8
165.09120	5.9
171.11559	0.7
174.35667	0.6
175.11177	0.9
175.14859	0.8
179.10764	1.2
181.89893	0.7
189.16396	1.4
199.14862	1.0
217.15898	2.0
235.09137	0.6
235.16933	7.7
238.50874	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	235.1694
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
52.45293	1.4
53.03949	2.0
55.01868	2.4
55.05515	11.4
56.05036	2.6
57.05359	1.7
57.07079	10.9
58.06589	2.1
58.07412	2.3
65.03941	2.5
67.05508	18.0
68.21317	1.4
69.03419	3.3
69.07070	17.7
71.04991	5.5
71.08617	2.3
71.28185	1.6
74.06089	2.5
79.05506	14.8
79.30186	1.3
79.30718	1.4
81.03416	1.5
81.07063	29.3
83.04976	6.4
83.08632	7.5
85.06551	1.7
88.07645	8.5
89.07951	3.0
91.05492	21.3
93.07051	26.6
95.04952	4.8
95.08613	26.8
97.06511	3.9
99.08111	1.6
103.05465	2.1
105.07032	41.0
107.04956	3.6
107.08598	29.2
109.02866	1.7
109.06540	6.0
109.10156	17.9
111.04449	3.1
111.08088	3.8
115.05435	2.1
117.07031	4.1
119.08585	31.6
121.06489	10.2
121.10149	16.7
122.08164	1.5
123.04482	3.3
123.08119	5.0
123.11706	5.6
125.09628	4.9
129.07010	4.1
130.07758	1.4
131.04945	1.6
131.08597	7.8
133.02808	1.5
133.06523	3.4
133.10136	43.7
135.08087	4.2
135.11696	11.2
137.05984	3.3
137.09642	6.2
139.07587	1.7
143.08583	5.2
145.06514	1.4
145.10149	6.8
147.04395	2.0
147.08052	12.7
147.11700	21.9
149.09619	13.0
149.13266	10.0
151.07553	6.2
151.11205	2.4
153.09091	1.8
157.10172	6.9
159.11687	6.5
161.06001	1.9
161.09630	13.0
161.13310	15.0
163.11221	3.0
165.09123	3.7
169.79167	1.6
171.11742	1.7
173.13260	3.5
175.03973	1.9
175.11200	6.5
175.14844	9.0
177.12798	2.8
179.06993	1.6
179.10739	15.7
186.18524	3.2
187.18886	16.6
189.12794	2.7
189.16408	21.0
190.90598	1.4
191.07011	3.0
193.12299	2.0
199.14859	5.6
205.04988	2.4
206.05817	2.8
217.04767	2.0
217.15923	17.5
217.19487	2.3
235.06044	4.6
235.09636	11.2
235.16963	100.0
235.20836	40.7
236.05971	1.5
236.09413	2.0
236.17249	3.9
247.40694	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	235.1694
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
50.90799	3.6
51.02388	4.1
55.01884	5.2
55.05520	15.2
56.05026	4.8
57.07077	32.2
58.06612	4.9
59.05026	4.4
67.05510	24.3
69.03462	7.9
69.07079	17.5
69.25487	34.8
71.05000	43.9
73.29782	4.0
79.05509	17.9
81.07067	39.5
83.04994	14.1
83.08656	6.2
86.06047	4.9
88.07635	13.2
89.07997	5.4
91.05487	33.1
93.07053	35.1
95.04991	10.7
95.08617	35.6
98.22594	8.4
98.27814	4.3
105.07024	53.0
105.07550	4.5
107.08604	37.6
109.06535	10.8
109.10173	20.2
115.05502	9.3
117.07024	9.6
119.08575	50.8
121.06514	17.2
121.10145	20.9
123.04456	6.7
123.08128	7.5
123.11763	5.7
127.11189	42.3
128.13879	4.6
129.07100	5.0
131.08566	15.5
133.06476	4.9
133.10109	39.2
135.08072	14.5
135.11728	14.4
137.09616	6.2
143.08516	9.1
145.06470	8.9
145.10162	8.1
146.07301	10.4
147.08035	22.3
147.11681	32.4
149.09660	9.5
151.11099	5.3
156.61736	4.3
157.10202	10.9
159.11754	13.5
160.05290	8.4
161.06026	6.6
161.09630	51.6
161.13234	27.1
165.12793	5.3
171.11690	7.3
175.07620	14.6
175.11198	15.3
175.14897	13.8
177.12823	6.2
179.10721	14.2
187.18915	26.4
189.05537	5.8
189.12802	8.9
189.16444	21.8
199.14938	11.5
203.07053	6.1
206.82036	5.1
207.10092	5.9
217.08386	5.9
217.15794	30.1
235.07715	10.6
235.09554	11.2
235.13315	16.7
235.16960	100.0
235.20807	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
51.30325	2.7
55.05518	6.6
57.07081	8.5
65.01202	2.7
67.05505	12.6
69.07067	8.4
70.88668	2.9
70.88994	2.6
71.04998	76.8
76.27921	2.5
79.05513	9.5
81.07057	21.8
83.04955	3.2
91.05453	13.5
93.07053	15.3
95.04992	3.9
95.08600	17.3
97.06603	2.8
105.07039	27.1
107.08598	17.1
109.06503	7.3
109.10152	15.0
111.08105	3.6
117.07051	3.0
119.08593	16.2
121.06500	30.1
121.10153	7.1
123.08086	3.4
123.11740	3.5
125.09589	3.9
127.11195	78.2
128.11536	3.2
131.08540	4.1
133.10156	22.3
135.08055	26.0
135.11716	5.3
136.08269	3.1
137.09666	3.0
143.08583	4.8
144.09227	2.7
145.10147	5.5
146.07254	8.6
147.08041	9.1
147.11729	10.4
149.09660	8.2
151.07529	4.0
157.10114	5.1
161.09630	100.0
161.13278	6.6
175.11250	10.3
175.14894	8.9
175.20844	3.2
179.10777	6.5
187.18956	4.1
189.16402	6.0
191.07092	3.8
199.14870	8.2
201.22624	2.7
217.15816	26.0
235.06073	3.9
235.13301	4.2
235.16998	30.6
235.20891	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	235.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01877	2.5
55.05280	1.2
55.05515	20.1
57.03428	3.4
57.06842	1.4
57.07083	16.2
59.53899	0.9
63.01087	1.2
65.03940	3.3
67.05508	76.7
69.03432	1.2
69.07070	21.5
69.90455	1.6
69.90798	3.0
71.04986	5.2
71.08629	6.2
77.03918	1.3
79.05495	41.9
81.07063	100.0
82.07391	1.1
83.04974	8.3
83.08625	9.3
85.06545	8.9
85.10179	4.1
90.43430	1.2
91.04901	1.2
91.05485	39.4
93.07052	54.4
94.07390	1.0
95.04987	5.3
95.08612	90.3
96.08920	1.4
97.06528	12.2
97.10156	5.3
99.08090	9.7
105.07034	36.4
107.04935	1.3
107.07879	1.3
107.08603	35.2
109.06520	6.5
109.10162	41.5
111.08069	6.6
113.09649	6.6
115.05463	1.5
117.07018	2.4
119.08585	31.1
121.06501	4.1
121.10144	47.0
123.08037	5.7
123.11720	16.1
125.09627	3.7
127.11210	1.5
129.06932	1.6
131.08551	4.1
133.10136	38.5
135.08064	2.4
135.11696	37.2
137.09621	7.8
137.13269	10.2
139.11169	2.2
142.07742	1.5
143.08575	2.1
145.10094	3.0
147.08034	3.0
147.11693	27.2
149.09612	3.4
149.13266	10.2
151.11163	3.9
151.14818	4.0
153.12755	2.3
157.10156	2.4
159.11720	1.8
161.09616	1.5
161.13269	21.6
163.14813	4.3
165.12766	2.5
171.11685	2.1
172.18692	1.1
175.11284	2.0
175.14867	11.6
177.16380	3.2
179.10683	2.1
179.14301	2.4
189.12732	3.4
189.16414	6.8
191.14320	1.5
191.17929	7.3
199.14845	1.2
217.12271	1.9
217.16069	2.6
217.19530	61.5
218.19856	2.9
235.06010	3.0
235.11151	1.7
235.13266	2.8
235.17004	17.9
235.20564	86.2
236.09012	1.8
236.20818	3.0
249.22208	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	235.2058
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03938	3.2
55.01877	2.5
55.05280	1.2
55.05515	20.1
57.03428	3.4
57.06842	1.4
57.07083	16.2
59.53899	0.9
63.01087	1.2
65.03940	3.3
67.05508	76.7
69.03432	1.2
69.07070	21.5
69.90455	1.6
69.90798	3.0
71.04986	5.2
71.08629	6.2
77.03918	1.3
79.05495	41.9
81.07063	100.0
82.07391	1.1
83.04974	8.3
83.08625	9.3
85.06545	8.9
85.10179	4.1
90.43430	1.2
91.04901	1.2
91.05485	39.4
93.07052	54.4
94.07390	1.0
95.04987	5.3
95.08612	90.3
96.08920	1.4
97.06528	12.2
97.10156	5.3
99.08090	9.7
105.07034	36.4
107.04935	1.3
107.07879	1.3
107.08603	35.2
109.06520	6.5
109.10162	41.5
111.08069	6.6
113.09649	6.6
115.05463	1.5
117.07018	2.4
119.08585	31.1
121.06501	4.1
121.10144	47.0
123.08037	5.7
123.11720	16.1
125.09627	3.7
127.11210	1.5
129.06932	1.6
131.08551	4.1
133.10136	38.5
135.08064	2.4
135.11696	37.2
137.09621	7.8
137.13269	10.2
139.11169	2.2
142.07742	1.5
143.08575	2.1
145.10094	3.0
147.08034	3.0
147.11693	27.2
149.09612	3.4
149.13266	10.2
151.11163	3.9
151.14818	4.0
153.12755	2.3
157.10156	2.4
159.11720	1.8
161.09616	1.5
161.13269	21.6
163.14813	4.3
165.12766	2.5
171.11685	2.1
172.18692	1.1
175.11284	2.0
175.14867	11.6
177.16380	3.2
179.10683	2.1
179.14301	2.4
189.12732	3.4
189.16414	6.8
191.14320	1.5
191.17929	7.3
199.14845	1.2
217.12271	1.9
217.16069	2.6
217.19530	61.5
218.19856	2.9
235.06010	3.0
235.11151	1.7
235.13266	2.8
235.17004	17.9
235.20564	86.2
236.09012	1.8
236.20818	3.0
249.22208	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	236.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01329	0.3
53.03953	0.9
62.94750	0.3
63.73196	0.3
72.08161	7.1
72.08550	0.6
77.03896	0.4
79.05502	0.4
81.07056	0.5
84.65278	0.2
91.05495	5.3
92.05811	0.3
93.07050	10.2
95.04988	1.4
98.23396	0.5
99.04469	0.2
100.03162	0.2
103.05476	6.0
105.04561	0.6
116.02838	0.3
116.10750	1.8
121.06512	100.0
122.06087	0.4
122.06837	2.1
185.40428	0.2
191.03339	0.3
192.13841	41.7
193.14177	1.0
211.97211	0.3
229.57574	0.3
236.16476	5.5
236.76292	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	237.0394
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
52.44872	0.3
53.03947	0.8
55.01871	1.1
63.02375	0.3
63.96489	0.3
65.03944	1.0
67.05503	0.9
68.69579	0.2
68.99799	0.8
69.03416	0.5
69.07053	0.4
69.33463	1.4
71.04994	0.6
77.03934	0.6
77.44544	0.3
79.05495	7.6
81.03422	0.3
81.07063	0.8
89.03915	2.6
90.69875	0.2
91.04963	0.5
91.05483	5.1
93.03401	1.0
93.07026	1.1
94.29154	0.3
95.04978	1.5
97.06527	0.4
101.02376	0.4
103.05466	0.4
105.04500	0.7
105.07027	1.2
107.04957	13.6
107.08566	0.6
109.10184	0.5
111.04458	1.1
115.05445	0.7
116.06213	0.4
117.03379	4.7
117.07022	0.6
119.04948	3.4
119.08568	0.5
120.04488	2.0
121.02908	0.5
121.06524	0.6
121.10136	0.3
123.04483	0.3
123.11708	0.3
125.02336	0.3
129.06992	1.3
131.04919	0.5
131.08595	1.7
133.10153	0.8
134.03607	0.3
135.04422	8.4
137.02336	0.5
139.03893	5.5
141.06975	0.7
144.05724	2.2
145.02840	3.3
145.06480	0.6
147.04419	3.4
147.08025	0.5
149.02325	1.0
149.09584	0.4
149.13206	0.3
151.11133	1.9
153.01828	0.6
153.05460	1.2
157.78604	0.3
158.07205	0.3
159.08055	2.9
159.11638	0.5
162.03152	0.4
163.03908	60.5
164.04219	1.7
165.01819	0.5
165.05467	0.6
167.03423	1.9
173.02357	1.0
175.03885	0.8
175.07529	0.8
177.09065	0.3
179.03409	0.4
181.01320	1.0
181.04944	1.0
187.07584	2.3
191.03394	100.0
192.03760	2.5
192.07903	0.3
195.02934	0.4
207.10139	1.2
208.03647	1.3
209.04460	21.9
210.04729	0.4
219.02890	21.7
219.10155	3.9
219.17374	0.4
220.03250	0.5
237.03931	35.0
237.14827	0.4
237.18674	0.5
238.04269	0.9
252.30315	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	237.0393
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
51.56706	0.3
53.03941	1.7
55.01871	0.9
55.05502	0.7
65.03938	0.8
67.05482	0.6
68.99788	0.5
69.37817	1.1
69.38247	1.4
71.05000	0.8
77.03975	0.5
79.05499	8.4
81.07047	0.7
83.04990	0.7
89.03904	3.4
91.05488	5.6
93.03397	0.5
93.07066	1.1
95.04958	1.6
95.08582	0.5
98.23331	0.6
103.05456	2.0
105.04533	0.4
105.07019	0.8
107.04959	14.0
107.08598	0.9
109.10164	1.5
111.04459	1.7
115.05433	0.5
117.03384	5.5
117.06989	0.4
118.06554	0.4
119.04961	4.3
119.08595	0.6
121.02882	1.1
121.06544	1.0
121.10136	0.4
123.11693	0.4
131.04927	3.6
131.08560	0.4
133.02798	0.7
133.06468	0.6
133.10146	0.8
134.03557	0.6
135.04428	7.1
135.11656	0.4
137.02391	0.4
137.05984	0.8
139.03911	4.7
145.02838	5.3
145.10123	0.6
146.06012	0.8
147.04420	2.4
148.05148	1.3
149.02361	2.0
149.05992	1.2
151.11160	0.6
153.01865	0.5
153.05392	0.7
159.11717	0.5
163.03908	56.1
163.07545	1.3
164.04259	1.3
165.01871	0.7
165.05501	0.9
167.03404	1.5
173.02371	1.2
175.03955	0.6
177.01851	0.5
177.05457	1.6
181.01350	0.8
181.04974	1.6
186.89487	0.4
191.03397	100.0
192.03687	2.1
192.06636	0.6
205.04921	0.7
208.03661	1.3
209.04460	22.7
210.04721	0.6
219.02895	21.3
219.10075	0.6
219.13843	0.4
220.03284	0.4
237.03937	34.3
237.14926	1.0
237.18600	0.6
238.04268	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	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.09315	0.2
73.96654	0.2
74.02448	6.1
79.05482	0.3
81.07052	0.2
84.04482	0.2
91.05476	0.6
94.06583	0.4
107.04993	0.2
114.05515	0.2
118.06530	2.0
120.08111	0.3
128.04955	4.6
130.06526	0.9
132.04414	1.1
146.06009	100.0
147.04468	0.2
147.06357	2.7
148.03955	1.5
158.05995	0.5
163.03909	0.6
164.07098	0.3
173.07045	0.5
174.05502	0.7
175.08655	0.3
191.03383	1.3
191.08202	1.4
192.06586	0.8
219.07640	1.7
219.14151	0.3
237.03992	0.5
237.08740	3.4
237.12447	0.5
237.14769	0.2
238.06885	0.3
251.39285	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	237.1122
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
53.31913	1.8
53.78450	2.0
55.05516	3.4
57.03458	2.3
57.07088	3.4
65.03915	2.0
67.05515	3.9
69.03432	2.3
69.07081	4.3
70.45728	5.0
71.04990	5.5
79.05499	7.4
81.07070	14.1
83.04996	5.0
83.08617	3.2
84.04530	1.7
85.06561	3.6
91.05490	23.8
93.07045	13.2
95.04987	11.6
95.08611	9.9
97.06550	3.4
99.08105	2.1
103.05506	4.5
105.07041	15.7
107.04963	5.5
107.08607	12.1
109.06519	5.8
109.10173	7.0
111.08126	2.3
115.05453	22.6
116.06255	11.9
117.07015	9.9
119.08604	9.6
121.06527	3.4
121.10159	8.0
121.79427	2.0
123.08086	3.3
123.11703	3.8
127.07534	2.2
127.11275	2.9
128.06245	7.3
129.07014	27.7
131.04941	6.4
131.08571	41.6
133.06480	2.6
133.10120	19.7
135.04456	2.7
135.08049	3.1
135.11649	5.2
141.07013	20.6
143.04912	3.8
144.05714	38.0
145.06471	8.3
145.10150	4.6
146.06013	2.8
147.08047	7.2
147.11736	4.0
149.09624	6.7
149.13322	4.9
151.11209	14.4
155.06030	3.5
157.06459	9.4
158.07283	5.3
159.08058	59.4
159.11694	3.9
160.05234	2.4
161.06036	3.9
161.13319	2.9
163.03937	7.1
163.11238	3.4
169.07632	10.5
172.05199	5.5
174.06807	6.2
175.07573	13.6
177.05511	4.8
177.09163	4.4
177.12827	3.4
187.07549	53.9
188.07979	2.2
189.05544	2.3
189.09161	8.1
191.03450	11.8
191.07034	4.6
191.18092	2.1
192.07890	8.2
201.09100	3.2
201.16443	2.3
204.07837	3.8
205.08647	5.0
207.10149	20.6
209.04504	2.9
219.10165	100.0
219.17482	9.2
220.10515	2.2
237.02065	4.4
237.11177	22.6
237.14865	4.6
237.18536	12.5
258.27362	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	237.1121
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
53.03954	1.4
55.05524	1.8
57.35714	1.0
64.25549	1.0
65.44076	0.9
67.05503	2.9
69.03421	1.3
69.07075	1.7
69.17321	4.8
69.17723	2.9
71.05020	1.1
79.05499	3.0
81.07047	2.2
87.65218	1.0
91.05482	29.5
91.06014	2.0
93.07085	1.5
95.04956	1.1
95.08614	1.9
103.05470	5.0
105.07030	6.4
107.04951	7.0
107.08572	2.1
109.10142	1.4
115.05452	26.4
116.06253	15.9
117.07029	14.7
119.04965	1.1
119.08576	6.1
121.10141	1.5
128.06226	10.5
129.07013	38.1
130.07791	2.7
131.04927	7.2
131.08574	49.6
132.05725	1.6
132.08923	1.2
133.06502	4.6
133.10173	1.8
135.08064	1.5
137.06079	1.4
141.06996	23.7
142.65184	1.0
143.05019	6.7
144.05708	57.8
145.06523	11.6
147.08032	9.6
149.09669	2.7
151.11151	3.3
153.05432	2.0
155.04895	3.1
155.06070	3.3
157.06494	9.5
157.07695	1.7
158.07326	5.6
159.08061	75.7
160.05212	3.8
160.08434	2.0
161.05971	5.1
163.03908	4.7
167.07108	1.9
169.06500	1.8
169.07654	12.2
172.05186	7.5
173.05968	2.3
174.06830	1.4
175.07567	22.4
175.08983	2.0
176.17209	1.2
177.05495	4.3
177.09113	5.9
186.06781	2.0
186.10321	1.1
187.07545	72.2
188.07959	2.0
189.05443	1.7
189.08990	1.3
191.03430	7.2
191.06987	7.5
191.10606	1.1
192.07813	11.1
193.08633	4.5
204.07855	5.3
205.08609	9.4
206.09262	1.9
207.10181	26.5
219.10170	100.0
219.17445	1.8
220.10568	3.6
225.11266	1.4
237.03937	2.7
237.11212	23.3
237.14874	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	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
65.54279	2.8
66.09054	3.2
67.05508	7.5
67.67776	2.7
69.03412	3.6
69.07071	7.1
71.05006	8.1
79.05500	10.1
81.07073	13.0
83.04991	4.2
89.03917	4.2
91.05463	17.6
91.72712	3.4
93.07060	15.3
95.04977	7.5
95.08614	13.7
95.60823	3.5
97.06568	5.5
105.07019	17.2
107.04971	15.6
107.08604	19.8
109.06597	3.9
109.10181	5.0
115.05458	11.3
116.06281	6.6
117.03394	6.2
117.07038	8.9
119.04941	3.5
119.08582	7.6
121.10165	10.1
123.11740	5.7
127.07621	3.6
127.11233	3.7
128.06195	3.2
129.07001	26.5
131.04918	5.1
131.08591	28.1
133.10143	15.5
135.04356	3.3
135.11697	3.9
139.03882	7.9
141.07027	17.7
144.05745	8.5
145.06528	5.2
147.04558	4.1
149.13272	6.0
151.11194	28.7
155.04922	3.3
157.06511	8.8
158.07237	6.3
159.08072	32.9
159.11795	4.5
161.13345	4.6
163.03915	46.3
163.07536	4.0
163.11121	3.8
169.06491	4.8
173.13321	3.7
174.06779	26.3
175.07536	11.9
177.12790	4.8
181.04970	3.5
186.06955	3.6
187.07512	18.3
189.09077	42.2
189.10638	4.1
191.03407	88.3
191.07065	9.6
191.10756	4.0
192.07961	5.6
201.09174	9.4
201.16426	3.9
207.10161	8.1
209.04483	18.0
219.02899	21.5
219.10172	100.0
219.17416	9.1
237.03928	35.0
237.14896	8.2
237.18477	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	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03934	1.9
55.01870	1.8
55.05516	45.3
57.03429	1.1
59.04998	1.8
64.47801	1.1
64.48711	1.0
65.03912	1.6
67.05508	19.2
67.55389	1.0
67.66875	1.0
69.03436	5.8
69.06738	1.4
69.07074	19.8
70.03362	1.0
71.04981	4.9
71.28836	1.1
76.91112	1.2
79.05488	8.7
81.07059	17.6
83.04986	61.9
83.08620	57.0
83.09125	2.4
85.02879	2.0
85.06546	2.7
85.10192	2.4
91.05470	6.5
93.07044	25.6
94.52991	1.2
95.04971	11.9
95.08060	1.8
95.08621	26.8
97.02914	2.4
97.06534	9.9
97.10170	2.9
99.08055	1.5
105.07028	13.3
107.08597	40.7
108.04473	1.7
108.08935	1.6
109.06517	14.9
109.10156	46.6
110.10452	1.5
111.03706	1.6
111.04450	29.8
111.08096	10.9
113.06004	4.3
113.09657	10.6
117.07000	3.1
119.08578	14.5
121.06511	39.1
121.10149	25.5
123.08089	6.5
123.11713	9.5
125.05997	6.0
125.09618	13.4
127.07541	10.4
131.08566	5.1
133.10141	18.6
135.08060	15.5
135.11691	7.6
136.08846	54.7
137.09630	36.2
137.10687	1.6
139.07533	11.2
139.11105	1.3
143.08540	2.0
144.09349	2.1
145.10046	1.5
146.06058	1.7
146.07262	1.7
147.06747	1.5
147.11707	2.3
149.09612	5.0
149.13252	34.6
151.11186	3.6
151.14778	2.6
153.09120	15.8
155.10643	3.3
155.60202	1.1
159.08044	2.7
159.11697	22.8
161.09619	24.3
161.13197	1.9
163.11211	1.5
167.14336	7.4
173.13225	4.8
175.11188	1.6
177.09148	1.5
177.12755	33.8
177.16333	1.3
178.16148	1.2
179.10677	100.0
180.11020	2.7
184.23834	1.2
191.14316	3.7
192.06561	4.7
195.13814	70.7
196.14148	1.8
197.39363	1.2
201.12775	3.2
207.90506	1.4
219.13724	9.5
219.17337	2.7
237.14841	100.0
237.18607	4.7
238.15198	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03937	4.7
55.01893	6.1
55.05519	84.8
56.96566	12.1
57.03426	5.2
57.07082	8.6
58.73646	4.0
59.04992	7.1
61.46069	3.9
67.05508	25.8
68.29325	3.4
69.03432	10.0
69.07073	26.2
69.47757	12.5
69.48156	6.1
71.05003	56.4
79.05492	34.5
81.07067	78.8
83.04989	100.0
83.08612	7.2
85.06542	4.3
86.20055	3.6
91.05489	19.3
93.07060	46.7
95.04455	3.6
95.04973	21.4
95.08037	5.8
95.08601	35.9
97.06538	22.1
97.10194	5.0
98.09695	4.9
99.08094	14.2
105.07040	66.2
107.08602	47.6
109.06510	20.0
109.10171	44.8
109.46062	3.4
111.08092	15.9
117.07018	11.5
119.08582	27.2
121.06512	11.1
121.10154	54.1
123.08057	17.0
123.11713	25.4
125.09634	10.7
127.07582	4.7
127.11205	21.4
131.08560	20.9
133.10143	88.8
135.04417	3.7
135.08073	17.1
135.11707	15.8
137.09625	8.3
139.07521	4.2
139.11197	32.6
143.10672	4.6
144.09373	3.8
145.10132	27.9
147.11716	15.8
149.09563	8.0
149.13293	17.5
151.11192	73.2
153.12793	11.3
155.10606	3.6
159.11713	33.5
161.13335	8.5
163.03929	6.2
163.11218	9.5
167.14400	3.6
173.13249	10.1
175.11156	4.1
176.14362	17.7
177.09177	5.1
177.12764	13.6
191.03436	10.4
191.14368	6.6
192.06604	13.8
195.02864	4.4
201.12769	5.4
201.16397	23.2
209.04526	5.3
219.13976	17.3
219.17430	35.5
237.03889	4.9
237.11247	9.0
237.14880	26.0
237.18506	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
50.26122	2.7
53.03948	6.1
55.01881	9.6
55.05519	84.9
57.03442	6.2
57.07083	6.2
59.04996	6.6
65.03944	3.2
67.05518	27.7
69.03432	15.8
69.07071	25.7
70.84536	3.8
71.04999	53.9
72.03904	2.9
79.05500	34.4
81.07059	74.4
83.04990	100.0
83.08638	7.4
84.90164	2.5
85.02912	3.3
85.06554	6.7
91.05499	30.7
93.03475	2.9
93.07050	55.2
95.04979	19.9
95.08607	46.5
97.06541	25.9
97.10216	3.0
99.08133	15.7
103.05460	4.2
105.07034	80.5
107.04962	14.9
107.08606	59.3
107.09296	5.0
109.06528	26.2
109.10154	40.3
111.04485	2.9
111.08099	14.1
113.09647	2.6
115.05457	2.9
117.07031	11.3
119.08601	28.7
120.08125	10.2
121.06535	16.2
121.07269	2.8
121.10165	54.0
122.06866	4.4
123.08095	23.2
123.11719	27.7
125.09653	9.1
127.07565	8.3
127.11214	28.8
130.07761	3.2
131.08580	27.6
133.06552	3.8
133.10146	83.9
135.08090	19.5
135.11705	22.5
137.09650	10.0
139.11201	31.1
143.10728	6.1
145.10138	27.3
146.06035	3.5
147.11699	25.1
149.02400	3.3
149.09624	9.7
149.13293	19.3
151.11188	80.5
153.12790	9.0
155.10654	6.3
159.08034	4.3
159.11729	41.2
161.09724	3.8
161.13280	12.7
163.03934	8.9
163.11206	15.6
163.14896	3.2
165.12698	3.7
167.10388	3.4
167.14458	3.7
173.09676	3.6
173.13297	11.7
175.11206	6.0
176.14340	30.5
177.12730	15.4
177.16423	3.4
180.69565	3.1
181.08595	3.8
189.09155	5.2
191.03401	17.6
191.07095	9.0
191.14343	12.2
191.17996	4.0
192.06580	7.6
193.12300	7.0
194.33995	2.7
201.12756	11.8
201.16415	18.7
209.04395	4.4
219.02951	5.9
219.10181	7.5
219.13864	22.6
219.17429	35.8
237.03889	6.0
237.07500	6.8
237.11026	5.9
237.14897	30.4
237.18524	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	237.185
Annotation	(E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal
Peak:m/z	Relative Intensity
50.62606	2.6
53.03947	3.7
55.01879	3.8
55.05518	10.5
57.03445	4.0
57.07082	4.1
59.05005	7.5
63.03561	2.2
65.03932	2.5
67.05515	22.3
69.03436	31.0
69.07079	17.5
71.04998	37.1
73.06572	2.9
79.05499	21.4
81.07064	100.0
83.05021	4.0
83.08621	4.9
85.06557	6.9
86.41734	1.9
91.05489	11.6
93.07057	34.1
95.04964	10.4
95.08624	29.1
96.12450	2.2
97.06538	10.5
97.10178	3.8
99.07492	2.8
99.08110	42.5
105.07036	27.7
107.08605	31.1
108.04498	2.2
109.06531	25.0
109.10160	35.5
111.08112	5.0
114.05520	2.4
117.07054	3.0
119.08556	13.6
121.06535	4.3
121.10154	15.9
123.08091	8.5
123.11710	18.3
125.09651	8.1
127.07565	23.2
127.11211	42.0
131.08568	5.7
133.10135	46.3
135.11758	13.1
137.09671	2.2
139.11188	5.8
143.10680	8.3
145.10121	20.7
147.11682	9.7
149.09660	2.4
149.13290	6.6
149.72423	2.2
151.11191	64.1
153.12752	2.8
155.10693	17.2
159.11708	10.8
161.13269	6.9
163.11176	5.0
165.12776	3.9
169.12294	4.6
175.14742	2.2
177.12845	3.3
177.16428	6.2
179.14333	2.7
191.08580	2.3
191.17915	3.4
192.06618	5.0
194.07361	2.9
201.16425	7.3
207.06572	3.2
219.17480	15.4
237.09148	3.9
237.18509	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	237.185
Annotation	[1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Peak:m/z	Relative Intensity
52.05610	2.2
53.03948	5.5
55.01877	6.9
55.05521	10.7
57.03442	4.8
57.07071	6.3
59.05016	6.2
59.84124	2.3
65.03951	3.4
67.05511	21.0
69.03433	17.1
69.07076	10.7
69.98682	2.6
70.96053	4.7
71.01363	3.0
71.05006	34.6
76.91305	2.6
79.05500	32.9
81.03401	3.2
81.07066	100.0
83.05000	7.8
83.08643	5.2
85.06557	6.2
89.03918	3.8
91.05489	17.6
93.07041	24.5
95.04985	9.9
95.08606	22.3
97.06551	9.3
97.10167	2.6
99.08105	53.3
105.07032	28.3
107.04938	13.3
107.08620	26.6
109.06534	21.7
109.10169	30.9
111.04484	3.3
111.08086	3.5
117.03381	4.7
117.07043	3.8
119.04977	6.9
119.08597	13.6
121.10160	15.2
123.08102	8.3
123.11729	15.1
125.09657	7.1
127.07560	28.9
127.11217	31.8
131.08664	6.2
133.10144	46.5
135.04448	10.3
135.11710	11.3
139.03918	11.7
139.11218	6.2
143.10693	5.7
145.02876	6.7
145.10162	14.4
147.04408	12.3
147.11719	11.2
149.09641	3.2
149.13234	12.7
151.11203	57.9
153.01805	3.4
155.10709	11.3
159.11716	8.0
161.13252	7.1
163.03915	76.8
163.11220	4.5
164.04211	3.0
165.05475	4.6
165.12672	2.9
167.03465	2.5
169.12331	3.0
175.03989	3.7
177.16318	3.0
181.05020	6.2
191.03415	76.3
192.03870	2.9
192.06631	4.0
201.16412	5.1
208.03900	2.2
209.04457	24.8
219.02913	33.6
219.17470	15.7
237.03929	41.0
237.07581	3.8
237.14850	5.9
237.18544	19.1
237.20837	3.5
239.58325	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.34626	2.4
53.03960	2.9
55.01868	6.2
55.05503	11.7
57.03442	6.1
57.07080	4.1
59.04990	6.2
67.05518	20.0
69.03433	19.7
69.07076	14.3
69.50769	9.5
69.51173	5.9
71.04996	36.2
75.52436	2.8
77.24836	2.6
79.05499	23.9
81.03384	2.6
81.07063	100.0
83.04985	5.5
83.08638	5.3
85.06538	6.9
89.18292	2.4
91.05495	13.0
93.07047	27.9
95.04965	11.8
95.08620	19.1
97.06526	8.8
97.10156	4.7
98.09686	7.5
99.08097	46.4
101.63408	2.4
105.07023	29.2
105.67364	2.8
107.08617	28.7
109.06526	21.6
109.10166	31.7
117.07030	3.9
118.35892	2.7
119.08582	15.0
120.08068	4.7
121.06486	2.6
121.10183	13.8
123.08057	8.2
123.11700	11.6
125.09613	4.9
127.07567	24.9
127.11217	36.3
131.08563	7.2
133.10144	46.1
135.08104	3.1
135.11688	9.2
139.11156	5.1
143.10693	6.4
145.10127	16.5
147.11716	12.3
149.13266	8.0
151.11189	63.2
155.10686	12.2
156.13820	15.5
159.11668	10.7
161.13271	10.1
163.03943	4.4
165.12758	5.9
169.12257	4.9
191.09697	2.8
191.17905	4.2
192.06577	4.4
201.16429	11.6
204.47452	2.4
219.17526	13.6
237.14059	4.6
237.18541	16.6
238.12117	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.59103	2.8
55.05515	51.9
57.03430	3.2
57.07071	6.3
59.04995	6.0
60.61416	3.1
65.03944	4.4
67.05508	26.5
69.03437	26.7
69.06734	2.6
69.07069	19.0
69.39326	14.6
71.04998	61.3
77.84560	2.7
79.05503	24.0
81.07061	87.2
83.04979	66.3
83.08624	8.5
85.06570	3.6
91.05492	24.0
93.06481	3.9
93.07046	37.7
95.04977	15.6
95.08611	34.5
97.06545	19.2
97.10168	5.1
99.08098	24.0
105.06314	4.3
105.07017	44.9
107.04956	6.4
107.08597	42.7
109.06525	22.4
109.10162	41.8
111.08078	11.1
114.05488	3.7
115.05483	3.7
116.50421	3.0
117.06990	4.4
119.08590	18.8
121.06503	3.1
121.10152	42.6
123.08079	8.5
123.11737	25.6
125.09621	8.3
127.07552	8.5
127.11211	45.4
129.07018	6.5
131.04916	5.6
131.08568	12.3
133.10135	74.7
135.08043	6.6
135.11703	12.2
137.05934	3.3
137.09618	6.5
137.13319	3.6
139.03970	3.7
139.11191	27.2
139.32117	2.9
141.06996	4.7
141.82031	3.0
143.10698	9.2
145.06569	4.2
145.10138	26.6
146.06039	3.6
147.11682	17.5
149.02345	32.2
149.09651	4.9
149.13260	12.6
151.11185	100.0
153.12753	7.2
155.10712	8.8
159.08070	6.4
159.11685	21.9
161.13254	7.1
163.03928	7.3
163.07603	4.4
163.11203	7.5
163.14848	4.4
165.12712	3.1
167.14290	3.6
168.39661	3.0
169.12311	3.8
174.06773	3.9
175.07724	3.0
175.14841	5.1
177.12787	8.3
177.16432	6.3
181.01273	3.7
189.09140	10.6
191.03360	11.7
191.07059	5.8
191.17964	6.9
192.06577	3.7
193.04982	22.3
195.02943	4.3
201.16422	17.3
209.04413	3.5
217.18581	3.5
219.10164	23.7
219.17451	33.2
237.03938	6.5
237.07404	29.4
237.12601	3.5
237.13237	4.5
237.15744	56.9
237.18510	45.5
238.08351	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	238.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05057	0.4
70.06592	1.4
71.27368	0.3
81.04542	3.7
82.05333	0.7
82.99446	0.3
82.99872	0.6
83.06107	4.8
84.04523	0.3
84.08147	2.5
86.00944	0.8
93.04503	1.7
96.03041	0.4
97.07653	3.5
101.00870	1.0
104.01978	1.4
110.07169	45.9
111.07524	0.5
112.02522	0.3
113.51772	0.3
114.04043	1.6
119.01930	2.7
121.02469	0.8
122.03039	0.9
122.34967	0.3
123.04043	1.8
127.03530	2.0
129.10237	1.0
132.04144	0.6
132.05075	0.5
134.05656	0.4
135.04048	0.8
137.01971	12.0
137.02910	0.9
138.06625	1.8
139.03537	1.1
141.05098	9.5
142.05112	0.6
145.04616	1.0
149.04401	0.4
150.05135	28.6
151.03545	2.4
151.05278	1.5
152.06696	5.6
153.05104	5.0
155.03023	18.2
155.06590	0.8
156.03059	0.8
156.05066	0.4
157.04553	1.8
159.06146	4.7
164.03040	4.1
167.05421	0.5
168.06197	27.4
169.04604	5.0
169.06369	1.1
170.07761	8.2
171.05095	0.3
171.06204	3.1
171.10924	0.4
172.09311	0.3
173.04106	0.5
173.07729	2.6
177.00923	0.6
178.04622	6.3
179.06781	0.4
180.02518	0.5
180.06429	0.3
182.04114	20.2
183.04359	0.9
187.05725	0.3
189.11942	0.7
191.01686	0.3
191.07706	0.5
192.06181	17.1
193.04602	5.5
193.06290	0.9
194.07768	3.7
195.06171	4.0
196.05682	23.9
197.04243	0.3
197.05901	1.1
197.07669	8.4
198.06073	0.6
200.05183	8.5
210.07259	7.1
211.05666	5.7
211.07574	0.6
212.08838	0.9
213.07239	0.6
214.06721	9.8
215.08665	9.0
219.07263	0.4
220.05687	21.7
221.04099	1.1
221.05902	0.9
228.08253	0.4
232.99977	0.8
233.10959	0.8
238.06729	100.0
239.05042	0.7
239.07039	4.0
239.09145	0.7
256.07742	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	238.1073
Annotation	Cotarnine
Peak:m/z	Relative Intensity
52.01406	0.3
53.03941	0.5
54.67072	0.3
55.01860	1.1
56.05029	1.2
58.11330	0.3
65.03941	0.4
67.04244	0.5
68.05045	0.6
69.07050	0.5
70.06593	6.2
70.83596	0.7
79.05496	0.9
80.05019	0.6
82.06579	8.3
83.06859	0.7
83.07362	13.9
84.08136	3.5
85.02914	0.7
91.05468	0.9
96.08132	0.8
103.05450	0.6
105.07034	3.6
106.06567	0.7
106.07336	0.3
107.04948	1.0
108.08128	0.7
115.05450	5.1
117.07041	0.7
118.06544	0.6
119.04937	0.8
120.08098	0.5
121.06480	0.4
122.06055	0.5
123.04452	0.6
124.07611	2.3
127.03930	0.7
132.08076	1.2
133.06488	4.2
134.06006	0.5
136.07568	0.5
137.02353	0.6
137.05969	0.6
139.03870	1.1
142.06555	0.4
143.04916	3.1
145.06473	0.3
146.05949	0.5
147.04395	2.3
147.08054	1.2
148.07555	0.4
149.05913	0.5
149.08437	0.5
150.05426	0.4
150.09166	0.4
151.03928	0.6
153.05428	2.3
155.03366	1.6
159.04364	0.6
159.06798	0.8
160.05219	0.7
160.07579	3.4
161.05981	8.2
163.03899	1.1
164.07089	0.4
164.10657	0.4
165.01859	1.4
165.05453	0.4
165.09143	0.4
167.03352	0.5
169.02666	0.4
169.04956	5.6
171.04433	0.4
174.09151	2.2
175.07568	1.0
177.05476	2.4
177.07822	0.8
178.02621	1.1
178.04971	0.6
178.08604	0.8
179.03305	0.7
179.07024	0.4
180.04227	2.0
184.08725	0.3
185.04472	0.4
188.07072	5.4
189.05472	6.1
189.07739	0.9
190.05559	0.3
192.06558	1.3
192.10143	3.7
193.04976	5.3
193.08595	4.5
195.06503	1.0
202.08646	2.6
203.07031	1.8
205.07378	0.9
206.05894	0.5
206.08109	1.7
209.08080	1.8
210.07785	0.4
220.09673	5.0
221.08110	4.7
221.10101	0.6
223.08383	5.5
224.08575	0.3
238.10735	100.0
239.08923	0.6
239.11105	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	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33669	0.3
63.02380	0.3
70.25228	0.7
70.25587	0.6
78.04746	0.4
81.68023	0.3
89.03920	6.2
91.05480	0.7
95.04977	0.3
95.88445	0.3
106.04161	0.5
107.04924	0.5
108.04497	0.4
109.02866	0.5
110.06131	0.3
110.75475	0.3
114.05533	0.7
117.03381	27.4
120.08102	1.0
121.06511	0.6
134.03685	1.7
135.04433	1.5
142.05101	0.8
145.02849	59.2
146.03189	1.3
149.05974	8.3
161.06027	0.4
162.03133	0.4
163.03867	0.9
164.04301	1.1
164.06967	0.4
174.09079	0.4
177.05472	100.0
178.05847	2.0
178.08588	0.4
179.13974	0.3
186.05544	0.5
192.03703	2.5
192.06558	0.6
202.08684	0.3
204.06377	0.4
210.04836	0.6
220.03183	0.8
220.09723	0.4
238.04251	1.0
238.06929	0.6
238.10742	2.3
238.14706	0.3
239.08882	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	238.1591
Annotation	N-Methyl-(R,S)-tetrahydrobenzylisoquinoline
Peak:m/z	Relative Intensity
52.47553	0.3
53.03939	0.9
55.05497	1.0
56.65954	0.3
57.07085	0.3
59.05006	0.7
59.90789	0.3
67.05493	0.9
69.07059	1.0
71.05012	0.6
71.28594	0.2
72.48882	0.3
77.03909	0.3
79.05495	7.4
80.05818	0.4
81.03415	0.5
81.07064	2.4
82.07368	0.5
83.04983	0.7
83.08628	0.7
84.04501	0.8
87.14941	0.4
91.05486	0.7
93.07037	0.9
95.04971	1.4
95.08620	1.7
97.06537	0.5
99.08096	0.4
103.05486	4.8
105.07036	100.0
106.07353	2.3
107.08571	1.3
107.41299	0.4
108.08928	0.4
109.06584	0.3
109.10146	1.5
110.10503	0.5
111.08041	0.4
114.05522	0.9
118.06584	0.7
119.08589	0.8
121.10149	1.0
121.24321	0.3
123.08126	0.4
123.11725	0.5
133.10135	0.8
134.09657	2.0
134.10547	0.5
135.11659	0.8
136.12039	0.4
137.13254	1.3
139.11203	0.6
142.04987	1.0
147.11638	0.4
149.13298	0.4
151.11133	0.6
152.11507	0.8
162.13667	0.4
163.14821	0.7
164.07047	0.4
176.14310	0.5
179.10603	0.3
192.06575	0.4
193.06866	0.5
196.54787	0.3
203.17903	1.0
220.09671	0.6
220.17787	0.3
221.19106	0.8
238.10785	1.2
238.15921	52.5
239.08873	2.9
239.16254	1.9
239.20030	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	238.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.05519	0.7
57.03427	0.5
58.81754	0.3
59.04975	0.4
63.94683	0.3
69.07085	0.3
69.11509	2.1
72.08139	0.6
77.03947	0.4
79.05499	2.9
81.07047	3.0
93.07019	0.4
96.77859	0.3
98.23383	0.6
103.05476	1.5
105.07037	90.4
106.07388	1.6
117.07005	0.7
120.08113	0.6
127.23324	0.3
152.76141	0.4
165.01793	0.5
176.14354	100.0
177.14703	2.6
220.15015	0.6
220.16968	6.0
238.15912	0.6
238.18018	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	239.1642
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
55.01873	0.3
55.05517	0.7
55.53999	0.2
56.74753	0.2
57.07079	1.6
59.05002	100.0
60.05341	0.8
67.05506	1.5
69.07066	0.8
70.10137	0.4
70.10474	0.6
79.05507	1.1
80.57175	0.2
81.03428	0.5
81.07072	1.4
81.07481	0.3
83.04975	0.6
83.08614	0.6
85.06539	0.7
89.06034	0.3
91.05480	0.8
93.07018	1.2
95.04986	0.6
95.08609	2.8
97.06561	0.3
99.04446	0.6
99.08087	0.4
102.66111	0.3
105.07027	2.3
109.06532	0.6
109.10145	0.5
111.08083	0.7
119.08578	0.9
121.06514	0.5
121.10164	0.4
122.07284	0.4
123.08070	12.0
125.09653	0.3
130.27145	0.3
131.08598	0.4
133.10143	0.8
137.09537	0.4
143.08551	0.5
145.10115	0.7
147.11690	0.5
149.09692	0.7
151.07545	14.8
153.09109	1.1
155.08572	0.3
161.09482	0.4
161.13260	0.7
163.11159	1.2
169.10060	0.5
171.11679	0.5
181.12187	1.2
183.10159	0.8
183.11681	0.5
189.12743	2.1
197.13199	0.7
207.13826	4.4
221.15303	1.8
239.08907	5.2
239.16341	13.0
257.14328	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03967	3.2
55.05512	28.7
57.03445	3.9
57.07085	25.6
59.05003	23.2
60.90642	2.8
67.05515	20.3
69.03454	3.7
69.07082	29.2
69.34054	18.3
71.04992	7.5
71.08634	5.5
79.05489	8.5
81.07058	80.2
83.08624	26.8
85.06559	12.1
91.05489	8.7
93.07057	24.7
95.04977	4.5
95.08613	100.0
97.06544	10.7
97.10180	15.6
99.08114	7.1
105.07037	14.9
107.08598	42.1
109.06483	6.3
109.10152	50.5
111.08096	9.4
111.11723	5.5
115.07557	6.0
119.08571	24.9
121.10141	35.0
123.08097	9.1
123.11704	34.0
125.09647	10.9
127.11265	3.6
133.10127	27.0
135.11690	32.4
137.09630	4.5
137.13260	77.6
139.11194	15.2
143.10754	3.8
145.10095	3.2
147.11696	27.9
149.13271	11.2
151.11237	12.7
153.12756	11.4
157.95341	3.7
161.13290	11.7
163.14821	26.6
165.12752	5.6
169.10138	3.0
177.16403	8.1
193.19592	8.0
203.17972	49.6
221.19025	53.7
239.08830	59.4
239.17940	5.1
239.20105	24.2
240.08971	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05279	6.1
55.05506	34.5
57.03428	6.0
57.07077	20.8
59.05003	27.5
67.05520	28.1
69.03436	8.7
69.07078	46.4
70.89026	9.9
71.05000	7.8
79.05502	20.0
81.07063	100.0
83.08617	28.0
85.06542	12.0
91.05481	9.3
93.07050	20.4
95.08615	97.0
97.06552	11.7
97.10175	21.1
99.08091	6.3
105.07037	65.5
107.08593	49.3
109.06531	5.3
109.10156	50.9
111.08092	11.3
111.11724	9.1
115.07603	5.8
119.08587	27.2
121.10144	41.1
123.08108	9.2
123.11713	33.0
125.09659	11.3
126.62805	5.4
126.76223	5.2
133.10120	30.5
135.11700	35.7
137.13264	98.8
139.11195	21.8
141.66454	5.0
143.10681	10.8
143.42706	5.4
147.11688	20.0
149.13268	15.4
151.11218	14.9
153.12749	10.6
161.13289	14.5
163.14876	35.1
165.12715	6.1
175.14786	5.6
177.16382	9.4
203.17964	52.0
221.19011	52.3
239.08914	37.8
239.20053	31.7
240.19421	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05517	33.4
57.03441	3.9
57.07074	25.3
59.05006	44.2
62.45145	3.3
67.05508	30.4
69.03436	5.9
69.07076	45.6
71.01295	2.9
71.02331	2.7
71.05009	16.1
71.08643	3.3
71.52609	3.7
73.59320	2.7
79.05077	2.8
79.05484	14.5
81.03439	4.2
81.07062	89.8
83.04981	6.4
83.08624	23.2
85.06550	12.6
89.06031	4.3
91.05511	12.6
92.21480	2.9
93.07045	41.0
95.04978	4.9
95.08607	100.0
97.06544	14.0
97.10168	13.9
99.04462	13.0
99.08122	4.0
105.07037	33.3
106.07358	7.8
107.08613	49.4
109.02823	3.5
109.06528	7.3
109.10159	45.1
111.08080	13.1
111.11731	9.7
113.06006	3.4
114.89436	3.2
117.07049	3.1
119.08590	26.3
120.15054	3.3
121.10149	40.0
123.08083	12.6
123.11713	34.0
125.05910	4.5
125.09648	10.7
131.08470	3.8
131.90591	3.2
133.06444	4.1
133.10146	28.4
135.11702	38.0
137.09645	5.2
137.13260	65.3
139.11189	13.5
143.10713	4.9
145.10106	5.0
147.08012	3.7
147.11682	27.4
149.13307	12.5
151.11194	6.0
151.14824	5.4
161.13293	15.9
163.14835	24.0
165.12772	8.8
175.14882	9.2
177.16409	13.8
179.14323	6.2
183.11729	5.8
203.17952	42.2
203.19664	4.1
211.07596	3.9
221.15489	8.0
221.19037	47.1
239.08818	79.6
239.14209	5.0
239.16144	16.7
239.20012	31.5
240.09062	3.9
240.12340	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.43441	2.4
53.03967	2.0
53.10420	1.9
55.05515	28.5
57.07075	16.5
59.05006	35.8
66.97589	1.9
67.05510	19.2
69.06736	3.3
69.07075	40.1
69.38192	4.6
69.38596	9.9
71.04985	5.0
71.08610	2.8
77.05755	2.8
79.05502	12.6
81.07061	77.8
81.32510	2.4
83.08614	16.9
85.06555	7.5
91.05486	8.5
93.07058	24.7
95.08615	91.0
97.06541	11.5
97.10188	18.6
99.08103	2.8
105.07035	12.7
107.08602	39.5
109.06507	4.9
109.10159	50.0
111.08092	8.6
111.11745	12.6
113.09650	4.1
115.07553	4.6
119.08588	24.0
121.10152	35.0
123.08085	6.2
123.11715	34.1
125.09654	12.3
133.10133	25.8
135.11696	25.0
137.09700	3.4
137.13268	100.0
139.11191	21.2
143.10658	8.7
147.11687	26.1
147.80516	2.2
149.13272	14.4
151.11192	10.9
151.14830	4.1
153.12704	2.4
157.12274	3.2
161.13274	14.4
163.14836	28.2
165.12830	6.6
175.14824	6.4
177.16418	6.6
179.17894	2.3
181.15808	2.8
193.19565	3.4
202.44453	2.2
203.17952	51.0
204.18369	2.2
206.57295	2.0
220.69702	2.5
221.19020	55.8
239.08884	5.6
239.20056	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.55720	3.0
54.63901	2.7
55.05515	34.0
57.07075	17.0
59.05009	33.4
67.05510	21.5
69.07072	45.6
69.15936	21.7
70.07530	3.0
71.05008	6.4
71.08643	7.3
79.05504	16.3
80.92190	3.1
81.07066	78.6
83.04990	3.6
83.08630	20.4
85.06563	8.5
86.26276	3.2
91.05481	8.7
93.07053	31.4
95.08611	100.0
97.06554	10.5
97.09645	3.6
97.10146	18.7
99.08099	8.4
105.07059	18.2
107.08600	39.6
109.06538	4.9
109.10168	44.3
111.08103	10.1
111.11745	10.7
112.91653	3.5
115.07618	7.3
119.08582	26.6
121.10149	31.8
123.08080	5.7
123.11703	37.5
123.39452	3.4
125.09663	9.7
133.10136	31.9
135.11714	31.2
137.09686	3.5
137.13269	98.3
139.11206	26.2
143.10693	10.8
147.11674	26.1
149.13300	18.5
151.11203	9.4
157.12190	3.4
161.13309	15.7
163.14833	32.7
165.12785	7.8
177.16499	8.7
193.19580	6.9
203.17982	62.0
221.19016	61.5
225.55292	3.3
239.08911	66.4
239.17950	6.5
239.20049	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13090	0.4
65.03954	1.0
68.71163	0.5
70.53662	1.2
79.65911	0.4
81.03460	0.5
81.07052	0.5
91.05485	32.7
92.05802	0.7
96.98991	0.4
103.05451	0.5
104.03490	1.0
109.06514	1.8
119.04952	20.0
123.72974	0.4
131.04932	0.5
135.04466	0.9
137.05981	100.0
138.06322	1.7
146.97920	0.4
151.03906	0.4
152.07025	0.8
154.08658	0.6
162.05489	2.1
163.03915	1.0
177.05504	0.5
180.06561	54.5
181.06892	0.7
205.04988	8.9
218.29727	0.4
222.07657	5.7
240.08688	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1382
Annotation	Diphenamid
Peak:m/z	Relative Intensity
51.02363	0.3
53.03943	0.7
55.05512	0.2
67.05494	0.3
71.29373	0.2
77.03945	0.5
79.05498	6.2
81.07043	0.2
91.05482	3.2
95.04964	0.9
103.05471	4.1
105.07034	100.0
106.07368	1.7
107.08572	0.2
111.65283	0.2
118.06551	1.1
119.05003	0.2
120.08126	0.3
130.06523	2.2
144.08101	0.4
148.07590	0.5
149.08133	0.2
197.40979	0.2
222.12791	3.0
222.22122	0.9
223.13280	0.2
240.13840	19.7
241.04987	0.5
241.14185	0.6
251.22592	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	240.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58072	0.2
55.05514	1.6
57.07079	17.8
58.06606	3.1
67.05508	2.8
67.48009	0.2
69.07058	0.7
71.08636	8.8
80.05022	0.3
81.07062	3.0
83.08631	2.3
85.06564	0.2
85.10188	5.4
93.07073	0.2
95.08611	8.3
97.10179	1.0
98.22649	0.4
98.97591	0.3
99.11746	0.3
109.09450	0.4
109.10160	4.9
116.98621	0.3
123.11729	1.0
165.16388	0.3
183.17458	5.9
191.92194	0.2
208.57188	0.2
240.09103	0.6
240.23225	100.0
241.23567	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	241.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
55.05517	17.3
56.05021	1.7
57.07067	1.2
58.06608	2.8
65.03945	1.6
67.05510	18.4
69.07068	4.6
70.06578	2.4
71.04601	2.7
71.04996	55.3
71.23363	2.3
79.05477	1.6
81.03439	3.0
81.07062	1.6
83.04985	100.0
83.06081	13.8
84.04507	2.5
84.08147	3.1
84.13770	1.2
85.02905	1.6
85.06535	2.7
91.05474	3.4
93.07057	2.2
95.04967	14.7
95.08624	1.7
98.97614	2.4
99.04461	10.6
101.06024	8.4
105.07043	2.6
109.06521	2.9
111.04446	28.8
111.06433	2.2
113.06010	62.7
117.07001	1.5
121.06499	3.4
123.04430	4.0
123.08126	2.2
124.03976	6.9
124.81859	1.2
125.04322	8.3
125.05955	1.2
127.03879	1.4
129.05482	7.7
132.11855	1.3
135.08081	2.1
137.05989	2.5
139.07582	2.1
153.05458	1.6
163.50423	1.5
165.05516	5.5
165.09149	4.4
177.09172	3.5
181.08620	2.9
183.06584	2.8
195.10159	2.4
196.09599	1.3
223.09630	1.6
235.53409	1.4
241.05292	2.2
241.11917	4.0
241.15405	10.1
242.10246	1.7
242.15059	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	241.1435
Annotation	Cucumegastigmane I
Peak:m/z	Relative Intensity
55.01856	3.7
55.05512	3.6
57.07080	7.0
64.57744	1.3
65.03938	2.1
65.17695	1.4
65.83573	1.3
67.05505	20.6
69.03431	2.4
69.07064	4.1
69.48145	8.9
71.05000	19.2
79.05070	3.0
79.05499	37.6
80.05820	2.1
81.03407	2.8
81.07048	7.6
83.04962	1.9
85.06550	100.0
91.05481	49.7
93.07050	24.9
95.04977	5.5
95.08577	2.2
97.06538	2.1
99.08107	2.5
105.07043	29.7
106.07371	9.6
107.04951	12.2
107.08604	21.6
109.06514	2.0
109.10214	1.7
111.04442	6.0
117.07014	7.9
119.08585	13.3
121.06524	10.4
121.10160	23.0
129.06978	6.0
130.07790	1.5
131.08569	54.6
133.10091	2.2
134.84760	1.4
135.04440	2.0
135.07994	2.9
135.11699	7.7
135.93472	1.5
137.09648	7.6
139.07608	7.0
145.06465	1.8
145.09010	2.8
145.10132	50.7
147.08083	4.7
149.09631	56.8
150.09059	1.8
155.08549	1.9
163.07533	2.5
163.11191	23.0
165.09160	3.3
167.07082	2.0
167.10696	14.7
173.09645	6.0
181.08684	2.0
181.10127	1.8
191.10678	33.8
192.10928	1.9
205.10582	1.6
205.12166	8.3
209.11702	5.4
213.05409	1.7
223.13306	39.9
224.13681	1.7
241.04980	3.6
241.14334	15.8
242.15343	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	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00006	1.7
53.03945	2.0
55.01856	2.6
55.05511	6.7
55.61640	1.6
56.96559	2.2
57.03439	2.7
57.07072	8.0
65.03936	3.0
66.40012	1.8
67.05509	21.7
69.03436	5.3
69.07070	6.9
71.04997	20.2
71.29446	2.2
73.93899	1.9
79.05502	31.5
81.03436	2.3
81.07063	6.6
83.04984	7.2
85.06549	100.0
91.05485	78.2
93.07053	22.7
95.04967	4.1
95.08610	4.9
97.02885	3.5
97.06570	2.4
98.97601	4.8
105.07029	19.4
105.57801	1.7
107.04970	13.2
107.08601	23.5
109.06544	3.4
111.04443	3.5
116.98651	3.1
117.07008	10.6
119.08598	14.5
121.02842	1.9
121.06511	9.8
121.10152	21.4
125.05962	2.0
129.06966	5.5
131.08572	60.7
133.10106	2.1
134.99515	2.3
135.08026	2.4
135.11716	6.7
137.09665	5.6
139.07562	7.9
143.08611	2.8
145.10132	50.6
147.08061	5.6
149.09630	53.3
150.09116	2.7
163.11205	30.8
165.09117	3.0
167.07104	2.5
167.10612	14.8
171.11751	4.5
173.09598	6.9
181.10118	3.7
185.13266	5.0
191.10675	37.9
205.12325	10.9
209.11726	7.2
223.13304	46.9
223.15349	3.4
241.09435	2.0
241.14172	14.5
241.19612	23.5
242.10262	2.6
242.15399	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	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.96578	0.2
58.06604	19.8
61.77339	0.2
64.69382	0.2
70.06209	0.2
70.06595	3.3
70.21223	0.4
71.04993	0.2
72.08148	0.9
80.05029	0.2
81.03410	0.8
84.08147	10.7
85.06541	0.3
96.04488	0.2
97.07640	0.5
98.06043	0.3
98.09695	1.7
98.97591	0.7
100.11256	0.6
114.05547	0.3
116.07119	0.4
116.98577	0.5
126.05501	0.3
126.09143	0.4
128.10724	4.2
133.97253	0.2
134.99643	0.2
144.10222	1.1
150.09149	0.2
168.10130	0.9
175.07445	0.5
196.09702	5.6
196.29207	0.2
198.35234	0.2
199.07430	1.5
213.15953	0.7
217.08508	1.4
218.06096	0.2
241.15471	100.0
242.15840	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	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29448	0.2
58.06605	20.0
69.86604	0.2
70.06602	3.1
70.90214	0.3
72.08150	0.3
73.95084	0.2
74.99426	0.2
81.03399	0.6
84.08147	10.9
85.06569	0.3
98.09701	1.6
100.11256	0.5
104.10737	1.4
114.05556	0.6
116.07153	0.3
126.05520	0.4
126.09227	0.2
128.10727	4.6
144.10170	1.2
152.10684	0.3
168.10240	0.7
187.15462	0.2
196.09721	5.9
213.16020	0.2
217.69888	0.2
235.08031	0.2
241.15474	100.0
242.15836	2.7
246.56934	0.2
247.89247	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	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39990	1.4
53.78456	1.5
55.01872	1.8
57.03429	2.9
58.06602	16.5
58.84783	1.3
59.06933	5.9
70.00008	6.1
70.06594	2.7
71.01346	1.5
72.08171	1.9
80.05005	3.5
84.08155	7.1
85.06570	1.4
85.08485	3.5
87.04486	2.4
98.22658	1.4
101.02389	4.2
103.03973	1.9
110.06039	2.4
113.59157	1.4
115.03931	6.3
117.99683	1.4
128.10741	1.9
129.01836	4.9
129.11043	1.7
143.03418	4.1
157.01328	7.8
161.04509	3.0
168.10272	1.3
177.31909	1.6
189.03954	19.0
196.09717	2.8
197.10057	3.6
218.06252	3.2
242.10350	4.5
242.15817	100.0
243.15886	2.1
255.78273	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	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.19777	0.6
58.19926	0.6
58.68845	0.8
59.20100	0.6
60.78748	0.7
69.07050	0.6
69.18324	3.3
69.18732	1.2
70.06591	1.5
71.28785	0.6
72.08172	0.8
81.03439	0.9
81.07052	1.2
82.28073	0.6
84.04491	0.9
86.09700	1.7
88.45206	0.6
98.97565	1.6
110.73590	0.7
112.03727	7.1
116.98634	1.3
123.04488	0.9
134.59567	0.6
134.99635	0.8
137.06017	0.6
139.03967	0.6
153.00627	0.7
153.05246	6.3
171.06355	1.0
214.08397	0.7
215.85954	0.7
219.55998	0.6
220.10379	0.8
224.08952	8.7
226.96341	1.3
242.10007	100.0
243.10419	1.9
243.18188	0.7
244.97516	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	242.1175
Annotation	(R)-N-Nicotinoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
50.01604	0.3
51.02367	0.6
53.03715	0.4
53.03949	5.3
55.01873	0.3
55.17990	0.3
67.05516	0.4
69.03439	0.3
70.34702	0.3
77.03925	1.2
79.05492	0.5
81.03423	0.7
81.07067	0.7
91.05479	7.8
93.07043	11.2
95.04976	5.5
98.21080	0.3
98.22545	0.5
103.05473	8.0
105.03391	100.0
105.04544	2.7
106.03731	1.6
121.06503	74.2
122.06020	1.9
122.06855	1.2
136.07423	0.4
224.09271	0.4
242.07944	0.6
242.11804	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	242.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05518	10.4
56.05046	3.2
57.03424	0.5
57.07085	2.1
58.06606	3.4
58.98641	0.3
61.25173	0.3
67.05511	7.1
68.67855	0.3
69.03421	0.4
69.07074	11.1
69.61421	1.7
70.06597	6.6
71.04959	1.1
71.08599	0.9
72.08159	2.0
74.06077	4.1
79.05466	1.0
81.03417	0.9
81.07063	10.0
82.58234	0.3
83.08623	5.5
84.07699	0.4
84.08143	5.0
85.10157	0.6
85.15285	0.3
85.26495	0.3
91.05459	0.9
92.04974	0.4
95.04986	0.4
95.08608	9.0
97.10175	3.2
98.09702	5.8
100.11253	3.5
105.03410	2.4
105.06989	0.4
106.03721	0.3
109.10152	5.8
111.11702	0.6
118.07348	0.3
123.11667	0.5
123.79864	0.3
125.52617	0.4
128.14354	0.5
130.15912	0.7
137.13217	0.4
138.05469	0.4
142.15919	9.3
147.02809	0.3
156.17444	1.1
184.20552	1.0
186.22145	2.9
196.20609	3.7
222.22281	0.4
224.23741	48.8
225.23973	1.6
226.65028	0.4
242.10306	1.0
242.24797	100.0
242.28392	20.3
243.25157	2.6
243.28893	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	242.967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48337	2.3
69.26073	2.3
71.19477	2.9
75.21886	2.3
94.93024	25.1
104.10768	4.4
110.07151	2.5
110.89948	2.2
164.93591	6.3
176.93526	100.0
182.94649	2.2
224.95667	11.5
242.96689	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74367	0.1
56.96578	0.2
62.07840	0.1
69.68690	0.4
80.97486	0.1
82.24564	0.1
82.99815	0.5
98.23318	0.2
98.97583	1.9
101.00885	6.6
102.00973	0.2
116.98646	1.2
119.01922	12.2
120.02036	0.4
122.97811	0.1
134.99829	0.9
137.02957	2.2
140.98811	1.1
142.03560	0.2
153.00952	0.2
157.01949	0.2
158.99886	4.0
159.99986	0.3
165.99699	0.3
174.06253	0.1
175.03008	0.5
177.00952	25.3
178.01062	1.7
182.99786	0.6
193.04091	0.4
195.01997	0.4
199.03058	0.2
200.02638	0.2
201.00932	2.8
201.02753	0.2
202.01059	0.2
217.04097	3.6
218.04160	0.2
219.02005	28.0
220.02109	2.2
221.01657	0.2
225.00873	2.1
234.00740	0.5
237.98862	0.2
242.03609	0.4
243.01981	9.1
244.02184	0.5
251.23187	0.1
261.03055	100.0
262.03189	6.5
263.03528	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	243.0653
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01872	0.8
61.63392	0.2
65.03941	3.0
67.53384	0.2
68.99793	5.3
69.34361	1.8
91.05479	1.2
93.03409	0.3
94.04195	0.3
95.04971	0.3
103.05476	0.4
106.39633	0.3
107.04954	7.0
111.04433	0.7
115.05477	1.0
117.07024	1.0
119.04943	1.0
119.08613	0.2
121.02875	19.4
126.12774	0.5
128.06265	0.3
129.06987	0.5
131.04932	1.9
131.08560	1.4
137.06021	0.3
141.06990	7.1
142.07446	0.3
144.05653	1.2
145.06508	2.1
147.04399	4.1
147.08072	2.7
149.02345	100.0
150.02667	1.4
155.05997	0.7
156.04161	0.4
157.06505	0.4
159.08075	1.6
167.03403	1.6
168.05676	0.5
169.06480	9.1
170.06912	0.6
173.05951	1.9
175.03932	0.3
182.05724	0.7
185.05966	0.9
186.06725	0.3
187.07550	2.2
193.04974	2.0
197.05998	10.7
197.07953	0.8
198.06421	0.7
200.04695	0.7
201.05370	0.3
213.05490	0.4
214.06310	0.4
215.07034	97.9
216.07410	3.2
225.07576	1.0
243.06531	50.9
244.06935	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.89221	0.7
53.03947	4.8
53.11312	0.9
55.01870	2.7
61.02930	11.2
65.03941	8.9
66.04710	1.1
67.05495	4.0
69.03429	2.0
69.71904	3.1
71.40086	0.9
72.08153	0.8
77.03919	0.9
77.78560	0.7
79.05493	5.7
81.03414	1.1
81.07059	4.7
82.04186	2.2
85.02905	4.9
91.05482	15.5
93.03418	2.3
93.07066	0.9
94.04199	2.1
95.01335	2.9
95.04968	13.2
97.02897	1.4
97.06522	3.1
98.23335	1.0
105.03387	4.5
105.04536	1.2
107.04948	7.6
108.02129	1.7
109.02901	1.1
109.06527	11.7
110.03653	3.4
111.04433	2.9
115.05448	1.1
119.04954	6.3
121.06500	1.5
122.03649	1.7
123.04438	15.9
125.02345	8.5
125.05979	2.5
133.02872	11.5
135.04385	4.9
137.05981	20.3
138.03116	1.9
140.04684	100.0
141.05168	1.6
142.02605	4.0
145.06461	2.7
146.03610	1.4
147.04466	7.0
148.01566	1.2
152.04654	3.0
153.05440	3.8
154.06143	1.2
155.07031	75.4
160.37166	0.8
163.03952	3.8
164.04695	1.4
165.01746	1.1
165.05476	18.8
167.07010	1.4
169.04979	1.5
169.06329	0.9
171.06532	2.9
173.05981	1.4
173.08093	6.7
175.05096	1.1
179.07042	8.3
180.04172	14.3
181.04959	67.8
182.05325	1.4
183.06554	3.5
184.03632	1.7
192.04221	1.1
193.04974	24.0
195.06537	10.8
197.06020	4.3
197.08112	8.8
207.06546	22.7
207.08507	1.2
215.07047	1.1
225.07562	14.1
240.36218	0.8
243.06514	1.8
243.08618	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.54016	1.0
53.03941	4.0
55.01871	2.1
56.90694	1.3
57.75006	1.2
61.02930	9.3
65.03937	8.8
67.05502	4.3
69.03403	1.5
69.20394	8.0
79.05493	5.8
81.03407	1.3
81.07053	4.4
82.04197	3.8
85.02898	4.5
86.09772	1.3
91.05483	17.5
93.03386	2.3
94.04173	3.4
95.04967	12.6
97.06531	2.7
98.97585	1.5
105.03380	4.8
105.04509	1.5
107.04961	7.1
108.02104	1.6
109.02899	1.5
109.06524	13.7
110.03648	5.3
111.04471	3.1
119.04941	5.1
121.06518	1.4
122.03635	3.0
123.04435	16.5
125.02358	9.7
125.05974	2.3
130.06505	1.1
133.02859	10.6
135.04405	4.4
137.05983	17.9
138.03143	3.5
140.04689	100.0
141.05472	3.2
142.02614	3.2
146.03639	1.3
147.04428	6.6
149.02295	1.1
152.04692	2.6
153.01926	1.2
153.05470	3.8
154.06349	1.3
155.07039	83.1
156.07356	2.0
158.05984	1.4
163.03940	2.4
165.01961	1.4
165.05482	17.3
167.07051	1.3
169.05057	6.1
169.06340	1.4
171.06561	4.0
173.08168	7.9
179.07021	11.4
180.04219	12.9
181.04971	66.8
182.05325	2.1
183.06480	3.3
192.04100	1.1
193.04974	25.2
195.06523	11.8
197.08217	9.6
207.06528	26.0
215.03441	1.2
225.07616	18.9
229.08472	1.6
243.02974	2.1
243.06461	3.1
243.08627	8.7
261.03284	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	243.0865
Annotation	Tetillapyrone
Peak:m/z	Relative Intensity
53.03936	0.8
54.59879	0.5
55.01869	6.3
61.53243	0.7
63.98958	0.5
65.03939	1.3
67.01866	1.6
67.05504	1.1
68.99776	0.6
71.29276	0.6
73.02921	23.8
79.01823	0.7
79.05469	1.0
80.02643	0.9
81.03421	2.7
81.07042	0.6
84.08192	0.6
85.06544	0.6
90.03419	0.5
91.05488	1.3
93.08742	0.6
95.04971	2.8
105.03360	1.0
105.07066	0.7
107.04950	2.5
108.02096	2.4
109.02879	1.5
111.04436	2.7
121.02866	0.7
122.03708	0.7
123.04448	3.0
126.03139	1.6
127.01543	0.5
133.02856	2.8
135.04420	0.6
137.05978	2.0
139.03899	16.1
141.01842	7.9
141.05460	2.3
141.06831	0.8
149.02356	2.1
151.03918	0.6
154.02547	3.2
155.03210	0.8
156.04178	51.3
157.04500	0.8
164.01056	1.8
164.04730	0.8
165.05534	1.5
167.03387	1.4
169.04958	3.1
169.06352	1.1
171.06529	60.4
172.06961	0.9
175.03891	0.7
182.02113	25.5
182.05693	5.4
183.06499	0.7
189.07629	2.7
193.04967	2.3
195.06557	3.9
197.04460	100.0
197.08124	7.6
198.04807	2.3
200.03159	8.6
213.07552	0.9
215.07069	1.5
225.05418	1.4
225.07576	19.5
226.07808	0.6
243.06389	1.7
243.08580	13.1
243.11110	0.9
243.12056	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	243.1229
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
55.01865	4.8
55.05514	11.5
57.88985	4.6
63.13225	5.0
67.05503	13.1
69.03442	6.6
70.06594	27.4
71.28580	7.1
79.05496	29.4
81.07060	16.1
84.04507	12.8
86.09682	12.2
88.11269	7.1
91.05463	11.9
95.04936	5.1
97.06507	7.8
99.04469	11.7
105.07005	14.0
107.04966	20.6
109.06511	5.1
109.10155	37.6
111.04433	8.2
119.08570	19.0
121.06548	6.1
125.05981	5.5
128.06245	7.0
129.07054	5.7
133.10150	18.8
137.09641	55.0
143.08543	8.5
147.08069	23.4
149.02374	9.6
161.09622	100.0
165.09114	61.6
189.09084	8.4
207.10175	15.5
215.03377	6.0
215.07037	8.3
243.02867	7.6
243.06439	6.8
243.11896	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	243.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67895	0.4
53.03935	0.6
55.05512	5.1
57.07067	2.2
63.80440	0.5
65.03938	0.9
67.05507	19.6
69.07069	5.2
71.07318	0.5
71.08605	0.8
71.28626	0.6
79.05491	11.7
81.07056	17.7
83.08609	3.1
91.05479	20.1
93.06475	0.9
93.07043	14.2
95.08604	15.5
97.10148	1.0
105.07028	18.3
107.08603	8.0
109.10156	10.7
115.05476	1.2
117.07016	11.8
119.08580	17.5
120.08927	0.7
121.10147	13.7
123.11723	3.3
123.78696	0.5
129.07011	1.2
130.07796	1.0
131.08569	24.8
133.10130	16.6
135.11699	9.0
143.08585	0.9
144.09343	0.6
145.10118	21.7
147.11687	15.5
149.13234	4.4
157.10176	1.3
159.11703	15.5
161.13252	22.5
162.13643	1.0
163.14804	1.3
171.11707	1.1
173.13261	21.9
174.13763	0.6
175.14848	4.6
185.13260	0.8
187.14807	12.7
190.63742	0.5
201.16389	5.6
215.17935	3.0
243.21078	100.0
243.28819	1.7
244.21436	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	245.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99065	0.5
53.00298	1.5
55.01857	0.5
55.05503	0.6
56.72315	0.5
57.03445	0.5
59.01373	0.9
61.06565	10.5
67.01862	1.6
68.02648	0.5
68.99788	4.7
69.03426	1.3
69.07066	1.0
70.47855	1.2
71.05005	0.6
75.04484	19.0
81.47762	0.5
82.00567	0.6
82.13017	0.5
83.01339	0.9
83.04985	0.8
85.02894	1.2
86.09706	3.3
91.05482	0.9
99.04456	16.3
104.96244	0.6
105.05506	100.0
107.96658	0.5
111.00788	4.6
113.05982	0.8
115.03939	10.7
115.05447	1.6
121.06496	0.6
124.93347	0.5
127.03912	1.9
129.05487	1.6
130.06488	0.6
131.04872	0.5
136.50810	0.5
138.30942	0.7
140.01010	0.9
141.05492	1.4
142.03230	1.3
143.03398	9.4
143.04947	1.2
147.04356	1.2
155.03357	1.2
155.04965	0.7
157.04973	31.6
161.05968	0.7
171.02916	15.5
171.04391	2.7
175.03911	1.4
185.04454	2.8
186.05251	8.8
188.27583	0.6
189.05692	0.9
189.07605	4.2
199.04012	3.0
203.03432	1.0
213.03944	6.6
217.05098	2.2
217.07076	49.8
218.07545	1.4
245.04469	46.0
245.06653	13.2
245.13686	4.7
246.04785	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	245.0809
Annotation	4-methoxy-6-[(2R,3S)-3-phenyloxiran-2-yl]-2H-pyran-2-one
Peak:m/z	Relative Intensity
53.03952	3.7
56.18098	0.9
62.84641	0.9
65.03944	3.2
67.05505	0.9
69.62236	4.2
72.89857	0.8
79.05456	0.9
81.03415	7.3
81.07070	1.1
83.04982	0.9
91.05482	100.0
92.05852	2.3
93.07077	1.0
95.14046	0.9
103.35773	0.9
105.04532	0.8
105.07042	1.4
107.04942	0.9
107.08627	1.2
108.13783	0.7
119.08601	1.0
121.06538	2.0
131.08609	1.7
131.61659	0.8
145.10158	1.0
149.02374	6.2
157.10173	1.0
167.03406	8.5
171.04427	0.8
187.03961	1.3
226.79903	0.8
227.06973	5.9
228.10332	0.8
245.04491	3.8
245.08086	11.5
245.11780	1.3
245.15450	2.5
245.19231	1.1
245.22835	2.4
246.18484	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	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.05511	2.5
56.96550	1.0
57.03442	5.1
58.99677	0.7
65.03944	12.9
67.05520	1.6
68.05018	0.9
68.99785	5.6
69.03430	2.1
69.20259	4.7
70.06591	1.6
74.02449	0.8
75.04460	1.0
79.05499	2.4
80.04995	1.4
81.03429	1.4
81.05790	1.8
81.07049	1.9
83.04990	6.8
84.04495	4.9
85.02957	1.0
91.05504	1.5
93.03413	4.1
93.07024	1.5
94.06545	0.9
95.01348	1.3
95.04978	2.0
96.02093	0.9
96.08138	4.4
97.02919	1.2
98.97587	1.5
100.07609	0.8
102.05560	1.1
107.04940	1.0
109.02916	1.2
110.03648	0.8
111.04444	49.5
114.05589	1.8
114.06737	0.7
119.01969	1.1
121.02896	1.4
121.03996	4.1
121.06509	6.1
123.04423	1.3
124.07600	26.9
125.07131	0.9
127.03866	1.6
128.03436	2.1
130.05002	3.4
130.06491	0.9
137.06058	0.8
138.09105	0.8
139.03903	100.0
139.62903	0.7
140.04262	1.5
141.01826	5.7
142.03270	0.9
142.04994	1.4
151.03934	0.7
154.02608	1.6
155.03423	3.5
156.04123	29.5
156.10411	0.7
157.04608	1.0
165.05489	1.5
169.04962	6.3
170.05756	13.1
171.06526	42.1
172.06856	1.1
174.04047	3.8
174.59644	0.8
177.05421	1.4
181.09702	5.1
183.06595	2.8
184.09711	4.7
190.28706	0.7
195.06551	2.6
199.03914	1.3
199.09001	2.3
200.10780	1.4
201.12338	4.7
202.10840	1.4
209.08075	2.2
213.07545	1.2
227.03426	0.9
228.10239	1.2
245.04478	7.6
245.10141	16.0
252.47333	0.7
258.96371	0.9
263.02835	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	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05514	13.3
56.05838	0.4
57.03428	1.2
59.05005	0.6
61.02925	1.2
69.03436	3.5
69.60241	0.6
69.60630	1.0
71.04996	0.6
73.34028	0.3
78.14981	0.3
79.05490	0.5
80.43673	0.3
81.03418	4.0
83.04983	100.0
84.05304	1.1
85.02905	3.2
86.09700	0.8
97.02895	3.7
98.22726	0.6
99.04406	0.4
101.06025	4.5
107.08562	0.5
109.02884	1.6
121.06544	0.4
125.09627	0.6
127.03951	1.0
145.05016	0.4
175.14940	0.3
189.11179	0.4
200.51846	0.3
227.09120	1.5
245.04581	0.7
245.10210	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	245.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	3.6
58.23298	0.2
61.44833	0.2
68.05032	20.8
69.05384	0.3
86.06071	100.0
86.09702	1.9
87.06419	0.8
98.42714	0.2
104.41176	0.2
105.58882	0.2
114.05534	0.8
117.61584	0.2
125.69426	0.2
132.06569	28.5
133.06851	0.3
148.47461	0.2
245.11336	39.7
246.11592	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	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07929	5.0
55.01866	13.3
55.05511	24.3
57.07062	5.9
58.75277	6.0
67.05509	18.5
67.62144	5.6
68.05038	12.7
69.03443	8.7
69.07063	16.8
70.43546	12.8
70.43874	6.2
71.04974	11.1
72.08160	63.7
79.05506	25.6
81.03426	8.3
81.07054	22.9
83.04994	28.7
85.06584	25.1
85.16402	5.2
86.06073	100.0
86.09705	74.6
86.10180	7.7
91.05489	17.2
93.07047	49.4
95.04983	8.1
95.08606	14.2
97.06531	17.1
99.04462	20.7
105.07042	38.5
107.08598	58.5
109.06541	13.3
111.08079	7.6
113.06007	10.7
117.06996	6.0
119.08584	20.3
121.06531	26.9
121.10152	48.4
123.08037	6.8
131.08545	8.6
132.10229	14.3
135.08078	9.5
135.11693	18.2
142.03189	5.6
143.08539	6.6
145.10110	34.4
146.11803	16.2
149.09586	17.7
157.10017	5.4
163.11191	86.9
167.10681	45.5
169.08614	48.7
173.09621	9.6
181.12306	33.2
181.13638	6.7
182.44287	5.3
185.11740	13.9
191.10651	45.0
209.11627	29.7
227.10800	8.2
227.12808	15.6
245.04468	32.8
245.11720	9.1
245.15079	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	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07929	5.0
55.01866	13.3
55.05511	24.3
57.07062	5.9
58.75277	6.0
67.05509	18.5
67.62144	5.6
68.05038	12.7
69.03443	8.7
69.07063	16.8
70.43546	12.8
70.43874	6.2
71.04974	11.1
72.08160	63.7
79.05506	25.6
81.03426	8.3
81.07054	22.9
83.04994	28.7
85.06584	25.1
85.16402	5.2
86.06073	100.0
86.09705	74.6
86.10180	7.7
91.05489	17.2
93.07047	49.4
95.04983	8.1
95.08606	14.2
97.06531	17.1
99.04462	20.7
105.07042	38.5
107.08598	58.5
109.06541	13.3
111.08079	7.6
113.06007	10.7
117.06996	6.0
119.08584	20.3
121.06531	26.9
121.10152	48.4
123.08037	6.8
131.08545	8.6
132.10229	14.3
135.08078	9.5
135.11693	18.2
142.03189	5.6
143.08539	6.6
145.10110	34.4
146.11803	16.2
149.09586	17.7
157.10017	5.4
163.11191	86.9
167.10681	45.5
169.08614	48.7
173.09621	9.6
181.12306	33.2
181.13638	6.7
182.44287	5.3
185.11740	13.9
191.10651	45.0
209.11627	29.7
227.10800	8.2
227.12808	15.6
245.04468	32.8
245.11720	9.1
245.15079	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	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18423	0.2
55.05514	0.3
58.06606	0.3
63.80408	0.3
68.05029	1.0
69.03441	0.3
69.07069	0.9
70.06591	0.7
70.86927	0.3
77.03947	0.3
80.62397	0.2
83.04984	0.5
84.04503	0.3
84.08129	0.4
86.06084	4.6
86.09709	100.0
87.10035	1.2
103.28328	0.2
107.84386	0.3
109.02971	0.3
121.06494	0.6
130.06523	0.8
132.06587	1.0
132.10205	4.1
142.03227	0.4
155.12471	0.3
158.06062	1.5
161.02357	0.6
199.03931	0.7
199.08745	1.3
199.18065	2.6
217.01366	0.5
227.08488	0.5
245.00764	0.6
245.04459	4.6
245.09171	0.3
245.11481	1.0
245.14966	0.3
245.18608	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	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57714	0.3
56.05005	0.4
58.06596	0.3
67.05496	0.4
69.07069	11.4
69.69853	0.9
70.06595	0.6
84.04474	0.3
86.06083	0.4
86.09706	100.0
87.10061	0.8
93.07067	0.3
95.08622	1.7
104.90159	0.3
112.61086	0.3
112.69052	0.3
113.09645	0.5
121.06540	0.6
123.08074	0.3
124.86092	0.3
132.10190	1.8
135.86148	0.3
142.03264	0.5
149.21812	0.3
151.01605	0.2
155.04906	0.4
161.06030	0.4
171.04494	0.6
183.04388	0.5
199.03877	0.9
199.18108	0.5
217.01494	0.3
227.03458	0.5
233.19150	0.3
245.00862	0.3
245.04439	2.6
245.13539	1.2
245.18604	2.4
246.05080	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	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
50.55067	0.3
59.50964	0.4
68.05048	0.4
69.07069	0.9
69.72049	1.6
75.60336	0.3
86.06093	1.1
86.09709	100.0
87.10040	1.1
97.10141	0.4
105.30379	0.4
132.10202	3.5
152.58319	0.4
199.18112	1.1
215.65714	0.3
245.04480	0.8
245.11394	0.7
245.18610	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	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03920	0.6
55.01870	0.7
55.05517	6.4
56.05028	0.5
65.11992	0.6
68.99793	1.1
69.07066	2.4
70.06590	0.9
71.04971	0.7
71.29892	0.8
72.08158	57.0
74.00323	0.6
74.64877	0.7
79.05494	1.1
81.07053	0.8
85.06564	0.7
86.06084	0.6
86.09708	100.0
91.05498	1.2
93.07043	2.0
95.08622	1.2
96.01107	0.6
97.02913	0.7
97.06512	0.6
99.30208	0.6
105.07070	1.0
107.08609	0.9
121.06538	2.1
121.10178	0.8
128.27487	0.6
131.08566	1.8
132.10210	34.0
142.03227	0.8
143.08577	1.3
145.10176	1.5
146.11765	11.3
147.04341	0.9
159.09189	1.0
161.06062	0.9
171.04492	1.6
185.07167	0.7
185.16495	4.4
189.05440	0.9
199.03934	1.0
217.05032	2.4
228.10085	1.3
245.00702	1.0
245.04433	14.1
245.08295	1.1
245.11719	1.5
245.16032	0.8
245.18588	4.5
246.13509	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	246.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01873	7.9
55.05506	2.6
55.72191	0.4
55.93525	1.2
56.05030	3.5
57.03418	1.4
57.05803	0.5
58.06589	1.3
60.05640	1.6
67.05510	0.8
67.45147	0.5
68.05044	2.3
69.03432	1.1
69.07054	0.9
70.02956	5.1
70.06590	8.2
71.01361	0.9
71.04985	0.6
71.93007	0.9
72.04517	6.3
72.08157	18.0
72.93781	1.2
73.02917	20.1
74.02438	15.4
80.05013	1.1
81.03378	0.6
82.02946	6.9
82.06577	0.9
83.04958	0.8
83.06107	0.6
84.04507	11.7
84.08147	14.1
85.02905	10.9
86.06056	2.9
86.09705	9.3
87.05591	0.5
88.04001	2.7
90.94821	0.9
91.05463	0.5
93.03394	0.4
94.84177	0.5
95.00758	0.7
95.01328	8.5
96.04488	2.3
97.02887	1.1
98.02416	2.5
98.06023	1.3
98.98465	14.9
99.00802	0.6
99.04489	0.5
100.03982	8.6
100.07607	3.5
101.00877	0.5
101.02377	0.7
101.07099	0.8
102.04939	0.7
102.05550	9.8
103.02435	0.8
103.03951	0.5
106.02892	0.6
108.04480	1.6
110.02395	2.7
110.06071	2.6
110.06682	0.5
111.04472	1.2
112.03962	3.4
112.08730	1.1
113.02377	3.6
114.01871	0.7
114.05543	1.3
114.06666	1.0
116.03471	0.7
116.07080	1.3
117.10236	2.0
118.05009	1.2
118.08651	1.5
119.01926	1.2
121.03557	0.8
121.06487	2.4
122.02367	0.6
124.03926	1.3
126.01955	0.5
126.05550	1.1
126.09172	0.8
127.03913	1.0
128.03439	45.2
129.03770	1.0
129.10240	3.2
130.05008	7.0
130.08664	3.2
131.01923	0.6
131.03419	2.4
133.06105	2.9
134.04495	0.5
136.03935	1.4
138.05518	4.5
139.03899	1.5
140.03444	2.0
140.04433	0.5
144.02921	2.9
145.03471	2.0
146.04500	3.0
147.01389	1.1
147.07657	7.0
147.11275	3.2
149.96179	0.5
154.04990	1.1
156.02881	1.1
156.06534	1.1
156.10162	1.0
158.04530	0.9
158.09189	0.8
164.03416	2.5
167.03319	0.6
170.04512	1.9
173.01900	2.8
174.03981	100.0
175.04308	1.8
175.11925	2.4
182.04480	1.9
182.08105	0.8
183.11324	0.8
186.04086	0.7
187.10799	0.5
200.05525	3.5
200.10670	0.6
210.04007	1.3
217.02103	0.6
228.05080	5.7
228.10336	0.7
228.12273	1.0
229.11630	1.1
229.15282	0.6
246.06145	4.4
246.11238	0.9
246.13412	3.9
246.15601	5.4
246.18246	6.2
247.04219	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	246.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70008	0.2
54.42476	0.2
57.07081	1.6
58.06583	0.2
63.85587	0.2
69.34743	1.0
70.06596	2.0
71.08637	0.9
74.52236	0.2
76.19389	0.2
83.75425	0.2
85.10208	0.3
88.07638	2.5
93.25964	0.2
97.06577	0.2
101.63821	0.2
102.09190	0.8
106.08667	1.5
118.06546	9.9
119.07353	0.5
121.06548	0.3
132.08078	1.8
132.24692	0.2
133.08902	1.1
134.09656	0.5
146.09651	1.9
165.19772	0.2
176.14355	48.5
177.14761	0.9
188.14328	1.6
189.15186	0.2
202.15958	0.4
216.17506	0.7
228.23247	1.0
246.22162	100.0
246.24326	13.7
247.22505	3.7
247.24841	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	247.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91676	0.5
53.07236	0.6
57.07201	0.6
63.94592	0.7
68.96937	0.5
69.30206	3.4
74.66526	0.6
84.08257	1.2
89.42927	0.6
98.97729	0.6
101.00958	1.1
103.00787	4.3
104.99415	3.9
116.98767	1.3
119.02071	4.7
120.02139	0.9
121.01679	14.2
133.01801	0.6
134.99945	1.2
137.03082	1.4
138.99446	0.6
139.02692	3.6
145.01764	0.8
158.99889	3.5
162.99544	2.3
163.02692	3.9
168.96129	0.5
175.02818	0.8
175.04572	0.5
177.00958	40.4
178.01169	2.4
179.00703	4.6
179.02550	0.6
180.00957	1.6
181.00430	22.6
187.02759	0.7
200.04268	0.5
203.02524	20.7
204.02705	1.5
205.00560	2.1
210.99388	1.8
219.02032	9.7
219.03926	0.5
220.02103	0.7
221.01857	1.7
221.03616	2.7
222.02028	1.4
223.01511	24.0
224.01823	1.5
229.00421	9.2
230.00673	0.5
246.03319	0.6
247.01508	100.0
248.01620	7.1
249.02090	0.6
263.02878	2.9
265.02679	98.4
266.03073	1.8
267.02902	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	247.1288
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
50.37256	0.7
55.90048	0.8
56.05031	3.0
61.01153	1.7
64.73617	0.7
69.07070	10.4
70.02956	10.7
70.06590	3.0
72.08135	1.4
73.02910	2.1
73.06548	0.9
74.02426	1.9
75.61514	0.7
79.05494	1.9
81.03424	0.9
84.08153	1.6
85.02895	2.1
85.04041	3.8
86.06081	1.9
86.09708	100.0
87.09976	0.9
88.03993	53.3
89.38778	0.7
91.05482	1.0
94.68970	0.8
95.01421	0.8
96.04520	1.1
96.08113	1.4
97.02866	1.1
98.02438	4.2
98.23404	1.3
98.98457	5.7
100.03973	2.2
102.19137	0.9
104.05344	3.6
107.04961	1.7
109.02921	1.3
110.02397	11.8
113.10769	11.5
116.07097	7.1
124.03951	2.4
127.03951	1.0
132.10208	49.0
133.10536	1.0
135.04465	1.1
138.09131	2.5
141.10220	21.4
155.11832	2.9
156.10219	3.5
163.03928	4.1
166.08669	14.3
169.09698	1.7
173.02191	1.5
177.01826	1.1
183.11295	7.5
184.09683	2.9
187.10783	11.3
191.03426	4.1
201.12346	34.9
212.09164	14.7
219.02934	3.9
229.05023	1.0
229.11737	4.0
247.02361	6.7
247.06026	3.3
247.13042	7.8
247.18660	0.9
251.56673	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	247.133
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03947	3.9
55.05515	4.0
59.65285	2.0
63.60762	2.2
65.03944	5.7
67.05495	2.9
68.99818	13.5
69.03428	19.4
69.33206	14.1
72.71241	1.8
79.05493	8.2
81.07055	7.6
83.04990	19.9
84.52755	2.4
91.05480	15.1
93.03418	4.4
93.07034	13.3
95.04991	4.8
95.08615	2.3
97.02913	5.5
103.05493	2.9
105.07032	12.6
107.04959	3.4
107.08604	12.6
109.02876	10.1
109.06508	11.3
109.10223	3.2
111.04434	5.7
115.05457	6.5
117.07023	14.1
117.83260	2.1
119.08587	13.1
121.02876	4.4
121.06474	14.4
121.10137	5.0
123.08072	4.0
128.06215	3.2
129.07005	7.6
131.04915	3.0
131.08583	19.8
132.05739	3.0
133.10114	8.6
135.04430	4.1
135.08064	28.1
137.05975	6.0
141.06935	3.1
142.07837	3.0
142.41800	2.0
143.07567	2.4
143.08557	10.1
144.09314	7.5
145.02884	2.5
145.06465	15.0
145.10115	10.6
147.08034	5.3
149.09645	23.8
150.10423	3.3
151.11134	3.3
153.07033	3.5
155.04890	6.6
155.08580	7.1
157.06511	2.8
157.10144	4.6
158.07315	3.7
158.10901	11.4
159.08067	9.4
159.11700	23.7
160.08789	5.5
161.09622	3.7
163.03918	21.3
163.07559	19.5
163.11201	2.7
165.09117	3.3
168.09328	5.5
170.10884	6.0
171.08052	7.0
171.11745	2.5
172.08830	21.3
173.05972	5.9
173.09650	27.0
173.13268	28.3
174.13611	1.9
181.06500	3.0
183.04445	6.4
183.11699	8.0
186.10414	19.9
187.03813	2.1
187.07611	3.3
187.11191	100.0
188.11487	2.9
189.09181	2.8
190.19174	2.0
191.07039	43.6
196.08844	7.0
199.07549	3.1
201.05495	7.1
201.12753	49.5
205.12198	5.7
211.11116	9.9
219.06575	2.9
219.13770	5.2
229.04953	3.3
229.12241	58.0
230.12598	3.1
247.06059	37.0
247.13310	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03943	2.8
55.05515	78.1
57.07087	2.5
62.97332	1.0
65.82098	1.1
66.05091	1.3
70.06596	3.7
70.46655	2.4
83.04986	100.0
84.05331	1.4
88.07615	4.3
89.08025	1.3
89.08656	0.9
89.83434	1.1
91.05495	4.1
95.08579	1.3
97.69162	1.2
102.09171	1.5
106.08684	3.7
106.65842	1.0
117.07037	2.5
119.08581	16.6
120.08958	1.3
131.08574	1.4
145.10129	1.4
147.08055	28.3
178.08990	1.2
187.14867	2.4
228.23274	1.2
229.23433	1.5
246.24292	18.3
247.13435	1.6
247.24643	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
51.02393	0.9
53.03960	2.4
55.01866	3.2
55.05511	3.9
57.21735	0.9
65.03947	3.0
66.00256	1.0
67.05505	5.3
68.39495	1.0
69.03430	28.1
69.07051	1.9
69.13146	2.5
69.13545	5.4
79.05495	9.8
81.07071	7.2
83.04987	10.7
91.05486	25.0
93.07059	9.5
94.14508	1.1
95.04958	4.2
95.08613	2.9
95.09860	1.1
95.58531	1.0
97.02917	1.4
103.05467	2.4
105.07032	15.6
107.04942	4.6
107.08583	5.8
109.02886	4.3
109.06548	6.6
111.04447	1.0
115.05436	6.5
116.06230	2.1
117.07036	17.5
119.04919	1.4
119.07764	1.8
119.08586	17.5
121.02889	1.7
121.06512	10.8
121.10139	3.7
128.06203	8.1
129.07014	9.1
130.07788	1.6
131.04958	2.6
131.08575	16.3
132.05693	12.2
133.06490	3.0
133.10118	5.3
135.08040	9.9
137.09633	1.4
141.06990	5.8
142.07799	3.9
143.08556	13.5
144.05684	1.8
144.09344	7.4
145.06479	11.6
145.10110	11.5
146.07234	2.3
147.08073	6.6
149.05974	1.4
149.09636	3.0
153.06969	5.3
155.08563	8.1
156.09370	2.3
157.06525	2.0
157.10115	5.2
158.07271	4.4
158.10909	9.6
159.08067	13.0
159.11699	17.5
160.08823	2.1
161.09642	4.7
163.03877	1.3
163.07581	3.6
167.08517	2.6
168.09348	7.9
169.10144	3.7
170.10909	2.6
171.08075	14.0
172.08832	14.7
172.12549	1.2
173.06053	2.1
173.09625	16.2
173.13269	14.2
175.07564	1.9
178.07788	1.5
181.06412	5.2
183.11681	11.8
185.09613	4.2
186.10408	61.8
187.07565	6.1
187.11177	35.7
188.08406	1.5
189.09076	4.9
191.07028	100.0
193.10194	2.5
195.07986	1.5
196.08838	11.3
199.07539	3.5
201.12750	99.9
202.13120	2.9
205.08607	1.7
211.11154	18.3
214.09920	7.4
229.12238	40.6
229.15761	1.6
247.02452	2.0
247.06010	2.9
247.13281	18.6
247.16937	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	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.02359	1.7
53.03934	3.4
55.05505	5.4
57.07082	2.8
64.45031	1.5
65.03937	5.0
67.05489	6.6
69.03432	22.2
69.07079	1.9
71.05338	2.2
71.52466	1.4
79.05489	9.3
80.20643	1.6
81.07067	10.0
82.78986	1.4
83.04985	21.2
87.85401	1.4
91.05491	17.8
93.03402	4.7
93.07043	15.4
95.04951	5.9
95.08596	5.1
97.02882	6.9
97.06576	2.0
103.05442	2.0
105.07035	21.7
107.04955	3.5
107.08608	20.3
109.02886	6.6
109.06532	9.5
109.10158	3.1
111.04420	6.9
115.05448	4.7
117.07008	13.0
119.08575	19.0
121.02858	3.3
121.06498	17.9
121.10141	6.6
122.06805	2.0
123.08087	2.3
128.06215	2.7
129.07018	8.3
130.07800	2.0
131.08572	17.4
132.05730	3.9
133.10129	14.3
135.08061	27.3
135.11739	1.8
137.05969	2.9
137.09583	2.9
139.03876	1.8
141.06979	2.8
142.07819	2.2
143.08568	11.9
144.09334	7.2
145.06483	15.2
145.10158	17.6
147.08066	4.2
147.11737	2.3
149.05989	2.2
149.09627	21.4
150.10381	2.9
151.11160	3.6
153.06992	2.7
155.08548	5.0
157.10092	3.5
158.07260	3.3
158.10951	11.5
159.08060	12.0
159.11710	27.7
160.08829	4.5
161.09639	3.7
161.13306	2.1
163.03931	3.7
163.07559	18.1
163.11125	2.9
165.09164	3.0
168.09314	5.5
169.10091	2.6
170.11028	3.7
171.08015	6.8
171.11644	2.5
172.08867	20.6
173.05968	3.1
173.09630	34.1
173.13272	30.9
183.11707	10.9
185.09492	2.0
185.13229	3.8
186.10420	22.6
187.11182	87.1
188.11504	2.9
189.09052	2.6
191.07048	43.0
191.10703	2.1
196.08833	7.2
201.09084	1.8
201.12747	49.8
201.16295	1.9
205.12198	5.4
211.11220	12.8
212.54677	1.5
214.09908	4.8
219.02774	2.0
219.13768	4.9
229.10008	2.5
229.12265	64.2
247.02420	5.9
247.13286	100.0
247.16832	7.3
248.13705	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	247.133
Annotation	4alpha-Hydroxy-1alpha,5alphaH-guaia-2,10(14),11(13)-trien-12,6alpha-olide
Peak:m/z	Relative Intensity
53.03949	2.9
55.05503	4.7
57.04064	1.1
57.07070	2.2
58.79659	1.0
60.13632	1.0
60.46931	0.9
65.03946	1.6
67.05519	6.0
69.03442	1.8
69.07069	9.7
70.06596	3.0
71.04992	1.9
71.08589	1.3
79.05495	12.0
81.07063	25.3
83.04981	11.5
88.01974	1.0
88.07637	3.5
91.05484	27.4
93.07041	25.0
95.04955	4.7
95.08622	7.7
97.06546	1.5
98.22533	2.1
103.05440	2.5
103.23952	1.3
105.04507	1.1
105.07032	15.4
106.08635	1.2
107.04967	3.4
107.08594	6.7
109.06532	12.0
109.10158	2.5
111.08035	1.8
115.05429	6.2
117.07014	17.3
118.06561	6.0
119.04944	8.9
119.06884	3.6
119.08582	32.5
121.06519	12.8
121.10098	1.9
122.06843	1.8
123.08123	1.6
125.05986	3.3
128.06201	5.1
129.06998	5.1
131.08577	15.8
133.06508	2.4
133.10109	3.3
135.04422	2.6
135.08022	3.0
135.11664	1.3
137.05986	9.3
137.09641	1.9
139.07532	1.1
141.06979	3.4
142.07787	5.2
143.08588	8.9
145.06485	24.8
145.10158	8.7
147.04398	8.8
147.08105	5.7
147.11646	3.7
149.05998	13.5
153.06990	7.6
155.08566	12.3
157.10121	3.6
158.10884	3.0
159.08073	12.6
159.11659	7.3
161.05914	1.8
161.09657	2.7
163.07585	3.1
167.08644	2.8
168.09372	14.1
169.10028	2.1
171.07970	1.9
172.08786	2.9
173.05994	100.0
173.09608	5.0
173.13232	12.0
174.06384	1.7
176.14339	18.6
177.14705	23.8
178.16010	1.6
183.11711	14.4
185.13304	2.2
186.10397	2.9
187.07539	4.7
187.11191	4.6
191.07086	2.4
193.10149	1.4
196.08922	1.4
201.12755	35.9
201.16470	2.1
202.13115	1.2
211.11220	4.9
219.13858	4.0
229.09995	2.5
229.12257	51.4
229.15907	2.7
230.12843	1.2
246.22128	8.9
246.24196	6.7
247.11073	1.1
247.13297	22.5
247.16992	6.1
247.22485	70.0
247.24667	11.2
248.23488	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	247.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05513	75.5
57.07066	4.5
61.03193	2.6
67.05519	3.5
69.18615	12.4
79.05480	3.4
83.04986	100.0
91.05488	7.6
98.50565	2.2
98.51274	3.2
104.99300	5.2
119.08572	15.9
147.08038	24.4
150.66690	2.4
160.46182	2.6
163.11122	2.6
246.24352	5.4
247.16788	4.3
247.24609	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	247.1332
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03942	3.0
55.01869	3.1
55.05510	4.5
57.67707	1.1
61.33636	0.9
65.03955	1.7
67.05508	5.0
69.03435	2.1
69.07078	6.9
69.23336	7.0
69.27357	1.0
71.04980	2.3
79.05498	16.0
81.03432	1.9
81.07056	22.4
82.02934	1.0
83.04986	16.5
85.06522	1.3
91.05484	27.4
91.94061	1.1
93.07048	23.2
95.04964	5.5
95.08616	7.6
97.06544	1.8
100.11256	1.5
103.05482	9.6
105.04494	1.4
105.07032	13.9
107.04963	4.3
107.08585	3.9
109.06527	14.6
109.10151	2.5
111.08075	1.6
115.05461	6.6
116.06266	1.6
117.07018	17.4
119.04945	10.7
119.08582	31.5
120.08099	4.8
120.08854	1.1
121.06496	15.1
121.10165	2.8
123.04411	1.4
123.08066	1.1
125.06010	3.5
128.06195	5.7
129.07021	7.5
131.04924	2.8
131.08577	19.3
133.06500	2.8
133.10162	3.4
135.04454	3.6
135.08063	2.4
137.05994	9.4
137.09633	1.1
141.06967	6.1
142.07793	6.7
143.08580	7.6
144.05730	1.4
144.09346	1.8
145.06487	24.2
145.07623	2.0
145.10127	7.8
147.04459	8.6
147.08089	5.6
147.11739	1.3
149.05981	15.8
149.07065	1.2
149.09616	1.5
149.13188	1.1
153.06989	5.6
155.08577	13.0
156.08061	1.7
156.09309	1.0
157.06456	1.7
157.10120	2.9
157.69597	1.2
158.07245	1.9
158.10919	2.5
159.08072	12.5
159.11734	7.1
161.06027	3.1
163.04034	1.0
163.07605	2.9
167.08530	1.8
168.09355	15.2
169.10172	1.1
170.10880	1.0
171.08086	1.8
172.08823	3.5
173.05991	100.0
173.09520	6.4
173.13289	12.5
174.06343	2.4
174.09149	1.5
175.03947	1.0
175.07484	1.1
177.09122	1.8
183.11688	14.2
184.07626	2.1
185.13300	1.4
186.10381	2.1
187.07578	5.1
187.11208	3.9
187.14842	1.3
191.07056	3.2
196.08945	1.4
201.12743	36.4
202.08643	12.4
205.08731	1.6
211.11127	5.3
219.13789	5.5
229.12251	53.3
230.12582	1.4
247.06021	1.4
247.11333	0.8
247.13316	21.7
247.17056	2.8
247.24272	1.5
259.78375	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	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03931	2.0
55.05518	67.8
69.73059	7.4
70.41179	1.4
73.45187	1.6
79.05481	1.7
80.05016	2.3
83.04988	100.0
87.93234	1.5
90.94913	1.4
91.05484	5.1
104.99290	4.4
105.07049	1.6
107.04991	1.7
117.07014	2.1
117.44609	1.4
119.08582	15.8
129.07007	1.7
132.05721	2.4
147.08063	39.5
152.63924	1.5
215.42281	1.6
237.89384	1.6
242.71255	1.5
247.16830	1.9
247.24562	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	247.1332
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
50.66580	2.5
53.03949	6.4
53.49671	2.4
53.78733	3.2
54.48533	3.0
55.05513	77.9
71.30561	3.9
74.50235	2.8
77.74701	3.2
80.16982	2.4
83.04984	100.0
84.05357	2.9
91.05488	11.4
96.15227	2.5
104.99285	10.0
119.08587	20.3
121.06541	3.4
132.05812	2.9
147.08055	42.1
177.68666	2.5
190.36819	3.0
190.74054	2.6
234.47627	3.2
247.13147	7.9
247.16705	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.02391	0.7
53.03947	2.3
55.01868	1.3
55.05513	7.6
57.03436	1.9
57.07071	1.8
59.05011	0.9
65.03921	1.2
67.05507	14.1
68.19812	0.7
69.03429	1.6
69.07068	4.9
71.04986	1.8
71.08627	1.3
74.09742	0.7
75.04457	0.9
75.26963	0.6
77.03904	0.8
79.05496	19.1
79.60765	0.8
81.03399	0.9
81.07058	17.3
83.04978	2.2
83.08614	1.9
85.06537	1.4
91.05482	30.7
92.06270	1.7
93.07047	32.9
93.81161	0.9
95.04968	5.7
95.08610	20.4
97.06529	2.8
98.22525	1.5
99.04453	2.3
103.05456	2.9
105.04537	1.0
105.07033	60.5
106.07867	3.7
107.04960	1.7
107.08596	40.0
109.06507	3.4
109.10136	5.3
111.08082	3.4
111.27583	0.7
113.06017	2.0
115.05462	3.3
116.06252	1.7
117.06203	1.6
117.07020	23.5
119.08582	28.1
120.09339	2.5
121.06493	5.1
121.10146	12.5
122.06812	1.2
123.08064	3.1
123.11707	1.2
125.06051	1.0
125.09606	1.3
128.06204	4.0
129.07005	5.7
130.07796	11.8
131.08574	26.9
133.10133	74.2
134.10454	1.4
135.08067	3.3
135.11694	20.0
139.07524	1.2
141.07014	1.4
142.07799	2.3
143.08560	10.1
144.09343	2.0
145.10127	100.0
146.10532	2.6
147.08055	3.2
147.11690	40.4
148.12479	19.5
149.09627	2.5
149.13309	3.7
151.07547	1.0
153.09145	1.6
155.08533	4.8
156.09232	0.8
157.10146	5.0
158.07272	1.3
158.10930	1.6
159.08070	3.2
159.11700	13.8
161.09639	1.5
161.13283	2.3
163.03900	1.4
163.07596	1.3
163.11159	1.5
163.14842	1.2
165.09061	0.9
167.10754	0.8
168.09349	2.5
169.10124	2.9
171.08084	1.0
171.11693	3.3
172.08899	0.8
173.09627	66.4
173.13255	39.5
174.10042	1.7
174.13722	1.5
177.09131	2.4
183.11719	5.0
185.13260	1.4
187.11142	4.7
187.14799	2.7
189.09055	0.9
189.12805	1.3
191.10719	4.3
191.14359	1.0
199.14841	0.9
201.12743	12.8
201.16377	17.2
202.16727	1.2
205.08554	3.5
211.14784	3.4
219.11919	0.7
219.13837	3.1
229.12276	2.7
229.15858	8.3
247.02522	1.8
247.05818	0.9
247.13315	44.3
247.16946	32.6
247.20732	1.5
247.24266	3.1
248.13617	1.8
248.17192	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	247.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22941	0.3
58.06594	2.9
59.07380	2.2
60.05646	2.0
65.54824	0.4
70.00378	1.2
70.06594	10.9
71.04983	2.5
73.26181	0.4
84.08183	0.3
88.07617	0.5
94.46729	0.4
96.09411	0.4
104.10734	1.7
112.00748	0.4
112.08731	5.0
118.08656	100.0
119.09033	0.6
130.09766	25.4
202.89047	0.5
247.04243	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	248.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03946	0.6
54.03472	0.2
55.01874	10.4
63.02389	0.2
69.33106	1.0
72.04534	0.4
77.03944	0.4
79.05497	7.6
82.02955	1.0
84.04508	0.4
91.05485	10.7
91.91946	0.2
92.05824	0.2
93.07056	1.1
95.04978	0.6
100.03992	1.9
101.02406	0.2
102.04707	0.2
103.05473	49.1
104.05793	0.9
105.03417	0.2
105.04509	0.4
105.07031	0.5
107.04958	11.3
109.02914	0.3
110.03230	0.2
115.05460	0.5
117.07037	0.2
117.40000	0.1
118.06535	2.3
120.08109	51.5
121.06517	1.6
121.08405	0.8
125.25189	0.2
128.05000	0.5
128.06230	0.3
129.07005	4.4
130.06509	0.3
131.04932	14.0
131.08574	2.4
132.05321	0.2
132.08098	1.6
133.06485	0.6
141.06995	0.3
142.06502	0.3
143.04984	0.2
144.08113	0.2
145.06522	0.3
146.06013	7.1
146.09674	1.4
148.07602	0.3
149.05997	2.9
150.06456	0.2
155.07254	0.2
156.08095	14.1
157.06496	4.8
157.08479	0.4
159.08086	0.3
160.07559	0.7
174.09151	14.2
175.07527	0.3
175.09477	0.5
184.07590	18.2
185.05991	1.9
185.07861	0.4
202.08636	100.0
203.08965	2.8
212.07118	0.2
230.08119	6.0
231.08545	0.2
248.09204	3.8
263.14471	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	248.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.4
67.05499	0.5
69.03426	1.3
71.04982	0.5
72.04523	0.8
77.03925	0.7
78.38032	0.4
78.47863	0.4
79.05496	6.6
81.07045	0.9
82.02911	1.2
84.04502	0.5
85.14021	0.4
91.05483	10.0
91.98100	0.4
92.87601	0.4
93.07027	1.3
95.04961	0.9
95.08621	0.5
100.03993	2.3
103.05470	42.8
104.05775	1.1
105.07024	1.9
107.04287	0.7
107.04958	10.0
107.08543	0.5
118.06557	2.7
119.04866	0.6
119.08533	0.8
120.08106	44.4
121.06514	2.5
121.08464	0.6
123.04467	0.6
123.08099	0.6
129.07004	4.0
131.04935	13.2
131.05911	0.7
131.08597	2.3
132.08055	1.4
133.06494	1.2
134.05939	0.5
134.09625	2.1
138.05495	0.7
145.10049	0.7
146.06029	4.8
146.09619	1.2
147.04381	1.5
148.07576	0.6
149.06006	3.0
152.07048	0.5
156.08093	12.2
157.06473	5.2
160.07538	0.7
161.09601	0.6
174.09140	11.6
175.03961	1.1
179.03400	2.0
184.07581	17.3
185.05923	2.1
202.08629	100.0
203.03377	1.3
203.08946	2.6
203.10736	0.5
207.02914	1.2
220.13333	0.8
221.04489	0.7
230.08145	5.8
238.73933	0.5
248.09230	4.3
248.12866	7.5
248.16478	3.5
248.20076	0.9
249.04005	5.4
249.11053	0.5
249.14943	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	248.0918
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03950	0.2
55.03326	0.1
62.23058	0.1
67.05505	1.1
69.15813	1.0
75.73312	0.1
84.04499	0.2
84.08131	0.3
88.63826	0.1
94.06565	2.5
98.97553	0.3
106.06537	0.7
119.04960	0.2
121.06508	0.4
121.17509	0.2
122.06024	1.9
129.07001	0.2
130.04979	0.2
136.06203	0.2
137.05978	0.6
144.06602	0.2
147.04376	0.2
150.05505	8.1
151.05896	0.4
156.08058	1.2
164.04335	0.2
168.06560	0.6
172.07722	0.2
174.09167	0.4
176.07030	0.3
184.07584	1.4
185.06102	0.3
192.03729	0.2
194.97389	0.6
202.08630	23.3
203.09401	11.2
203.11406	0.2
204.09853	0.5
212.98361	0.3
217.99078	0.3
220.03252	0.4
220.09705	0.5
230.08202	0.2
235.08371	0.5
248.03348	2.8
248.09169	100.0
249.03833	0.3
249.09535	2.8
249.12009	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	248.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12338	0.2
53.03939	0.5
55.05513	4.6
56.05040	1.3
58.06594	0.9
65.03934	0.3
67.05510	6.5
67.51798	0.2
68.05034	0.4
69.07075	2.4
69.68555	0.7
70.06590	1.1
71.13903	0.3
72.08148	0.6
79.05498	5.2
80.05012	0.4
81.07060	6.0
82.06139	0.3
82.06578	8.0
83.08607	0.5
84.08153	1.4
91.05482	2.5
93.07044	4.2
94.06576	0.3
95.04998	0.3
95.07370	0.4
95.08613	5.8
96.08138	2.7
96.08739	0.4
97.08894	0.3
98.09702	3.2
104.99237	0.3
105.07027	1.4
106.52877	0.2
107.08595	2.0
108.08125	1.9
109.08918	0.4
109.10165	1.2
110.09669	1.4
111.10464	2.8
112.11251	1.7
119.08575	1.1
120.08045	0.3
121.10178	1.7
122.09660	0.9
123.10434	0.6
124.11234	14.4
133.10112	0.8
134.09630	0.3
135.11714	0.8
136.11195	1.5
137.12001	0.8
138.12784	1.4
147.11702	0.6
148.11229	0.5
149.13216	0.3
150.12788	2.2
152.14328	0.7
161.13264	0.5
162.12807	0.3
164.14378	0.9
165.15115	0.4
166.15959	0.3
175.14751	0.3
176.14348	0.3
177.16438	0.3
178.15900	0.7
190.15758	0.3
192.17474	0.4
206.19022	0.3
211.33221	0.3
244.43579	0.3
248.23741	100.0
249.03979	0.7
249.24136	3.5
264.21191	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	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55357	1.7
69.55762	2.4
74.06079	0.9
74.71471	0.7
76.63110	0.8
84.04492	1.3
85.80118	0.7
94.93018	100.0
97.02932	0.8
104.10751	3.2
105.11115	1.3
150.91962	3.3
206.88615	19.7
234.01431	0.8
248.89680	16.5
249.03711	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	249.1098
Annotation	Thr Glu
Peak:m/z	Relative Intensity
55.05517	0.4
67.05494	0.9
69.03422	0.9
69.07036	0.5
69.62932	1.6
71.04975	0.4
79.05476	0.6
81.07048	1.3
83.04956	0.5
91.05494	2.1
93.07037	1.3
95.05001	0.7
95.05608	0.4
95.08605	0.6
98.23223	0.5
99.08131	0.3
105.07039	1.8
107.04944	0.5
107.08618	1.8
109.06477	0.8
117.07021	1.0
119.04963	1.1
119.08598	1.6
121.06500	0.8
121.10146	0.9
123.04409	0.7
123.08091	0.6
128.06195	0.5
129.07024	0.5
131.04921	0.6
131.08604	0.8
133.02855	0.5
133.10139	0.9
135.08022	1.1
139.05856	0.3
143.08534	1.0
145.06535	0.4
145.10118	1.8
147.04391	2.5
147.08041	0.4
147.11717	0.4
149.05963	1.5
149.09637	0.4
151.03940	0.5
151.11165	0.5
153.57870	0.4
157.10156	0.5
159.08081	0.8
161.09621	1.8
161.13252	0.8
163.07550	0.7
163.11166	1.3
171.08144	0.6
171.11528	0.4
175.04007	0.7
175.11205	0.5
179.03445	2.3
185.13252	0.5
189.09081	0.5
189.12703	0.3
203.03401	1.5
203.14296	0.6
207.02881	2.4
219.10097	0.4
221.04498	1.1
231.10150	0.6
231.13847	1.1
231.17439	0.6
249.04016	7.7
249.10994	100.0
250.11290	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	249.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05876	1.3
55.01876	1.4
55.05527	2.0
67.05508	4.2
69.03426	1.9
69.07074	2.8
70.30076	2.8
70.30418	2.1
71.63683	1.1
78.32262	1.3
79.05498	6.0
81.03413	5.7
81.07048	6.7
91.05476	4.4
93.07041	6.0
95.04968	4.0
95.08601	5.0
97.06517	1.7
103.05486	2.0
104.05824	1.5
105.03391	4.7
105.07022	5.7
107.04958	2.1
107.08601	4.8
109.02865	2.7
109.06529	3.7
109.10171	3.1
115.05444	1.3
119.04942	3.7
119.08565	5.2
120.08148	1.5
121.06505	2.3
121.10176	2.9
123.04463	3.4
128.06226	1.6
129.07042	1.6
131.08582	1.7
133.02831	2.7
133.06514	2.1
133.10121	4.2
135.08041	2.3
135.11697	3.0
136.06133	1.2
137.05962	3.3
145.10161	2.3
147.04396	8.2
147.08054	2.2
147.11673	2.4
159.08067	1.5
159.11717	1.4
161.05943	1.6
161.09639	3.9
161.13039	1.3
163.07530	1.6
165.05554	1.5
175.03976	3.1
179.03387	9.5
189.12828	2.4
203.03447	5.7
203.08984	6.8
203.18109	2.0
207.02924	7.6
207.13863	1.6
218.70482	1.2
221.04518	3.1
231.13913	2.2
249.03947	31.8
249.11011	100.0
249.14661	6.2
249.18481	4.6
250.11342	2.7
250.25331	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.43531	0.4
53.03927	0.5
55.01867	0.5
55.05488	0.5
67.05488	1.1
67.52167	0.4
69.03431	1.5
69.09299	3.6
71.04992	0.5
79.05478	0.8
81.07047	0.9
91.05486	8.0
93.07041	1.4
95.04948	1.3
95.08637	0.6
97.02878	0.9
103.05483	1.4
105.07047	5.3
107.04927	1.7
107.08550	1.2
109.06554	0.6
115.05459	5.1
116.06242	2.9
117.07018	4.1
118.07767	0.5
119.04942	2.1
119.08623	2.2
121.06509	1.1
121.10105	0.8
123.04443	1.1
123.08075	0.6
128.06229	9.6
129.07008	19.1
130.07738	0.7
131.04947	2.2
131.08571	16.8
132.05717	1.2
133.06512	3.0
133.10141	2.6
135.08096	0.6
141.06987	10.0
142.07811	3.4
143.04906	0.7
143.08546	4.1
144.05705	7.7
145.06506	5.6
145.10074	1.0
146.07285	3.2
147.04417	3.8
147.08066	0.9
151.03880	0.7
152.06166	1.2
153.06996	1.5
155.04906	0.6
155.06064	1.4
156.05688	1.9
157.02904	0.4
157.06490	9.4
158.07274	2.7
159.04364	0.6
159.08057	28.3
160.05212	1.0
160.08681	0.8
161.05981	4.1
161.09634	8.5
163.07539	1.1
165.05392	0.6
167.06970	1.1
169.06523	1.0
169.07639	3.2
170.07268	8.1
171.04378	1.0
171.08026	5.8
172.05203	3.0
173.06007	3.7
174.06802	2.5
175.03949	1.6
175.07524	3.0
177.05537	0.5
178.06290	0.9
179.03362	2.6
184.05241	0.5
185.05975	1.4
186.06844	0.5
187.07556	19.8
188.08270	1.7
189.05490	2.8
189.09113	9.2
189.12813	0.6
190.06192	0.9
191.07057	2.0
193.08588	0.6
198.06763	1.5
199.07545	3.0
201.05470	2.1
203.03409	2.6
203.07057	6.2
203.14355	0.8
204.07837	12.4
205.08565	2.4
206.09274	1.0
207.02859	2.8
216.07811	4.0
217.08615	1.3
218.09373	0.7
219.10161	1.3
221.04515	1.1
221.08107	1.3
221.11746	4.2
231.10202	6.2
231.13831	1.2
234.08830	0.8
247.36325	0.5
249.04062	9.1
249.11226	100.0
249.14815	2.8
250.11584	3.8
250.14156	1.0
259.38422	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.17950	0.4
53.03932	1.1
55.01869	1.6
55.05507	1.3
57.03428	0.5
57.07067	0.4
58.69500	0.4
58.84885	0.4
64.64535	0.4
65.03932	0.8
67.05518	3.3
69.03430	3.5
69.07053	1.7
70.46848	0.4
71.04990	1.2
71.17910	0.5
79.05500	3.6
81.03419	2.1
81.07064	3.7
83.04965	1.2
83.08626	0.8
85.02882	0.5
85.06544	1.0
86.04835	0.5
91.05482	13.0
93.07050	4.3
95.04964	3.5
95.08606	2.7
97.02901	1.8
97.06514	1.4
99.04462	0.6
103.05490	3.3
105.03406	2.9
105.07038	9.0
107.04962	3.2
107.08605	4.4
109.02890	1.4
109.06520	1.8
109.10141	2.3
111.04445	0.8
111.08057	1.1
113.06017	1.0
114.85825	0.4
115.05460	6.8
116.06265	3.8
117.07024	5.7
119.04940	3.7
119.08588	5.5
121.06501	5.0
121.10120	2.2
123.04426	3.2
123.08086	1.4
123.11749	0.5
125.05985	0.8
125.09624	1.3
127.07582	0.6
128.06218	11.0
128.07117	0.9
129.03432	0.5
129.07013	23.6
130.07808	1.4
131.04961	2.6
131.08566	22.6
131.13164	0.5
132.05728	1.4
133.02837	1.6
133.06480	4.6
133.10147	4.8
135.04456	0.7
135.08078	2.1
135.11723	0.7
137.05975	1.0
137.09605	1.2
139.05435	0.9
141.06978	9.4
142.07800	4.9
143.04955	0.9
143.08553	6.2
144.05707	10.2
145.06505	6.3
145.10132	4.3
146.07277	3.3
147.04428	10.1
147.08028	2.0
147.11653	1.4
149.09645	1.6
151.03923	1.2
151.07518	0.7
151.11139	0.6
152.06213	1.1
153.07008	1.6
155.06033	2.1
156.05673	2.4
156.09325	0.9
157.02914	0.7
157.06496	11.3
157.10112	2.1
158.07315	2.6
159.04431	1.3
159.08057	29.2
159.11681	1.6
160.05185	1.2
160.08633	0.7
161.05983	5.0
161.09627	8.7
161.13208	1.3
163.07565	2.0
163.11182	1.3
165.05461	1.5
167.04953	0.7
167.07062	1.4
169.06467	1.1
169.07707	3.9
170.07269	8.0
171.04340	1.4
171.08061	6.3
171.11674	1.1
172.05205	3.9
173.05992	5.1
173.09627	1.1
173.13210	0.8
174.06792	2.6
175.03937	4.5
175.07564	3.9
175.11177	1.1
175.14819	0.8
178.06255	1.1
179.03412	10.5
179.10625	0.6
185.06007	1.0
185.13260	1.7
186.06703	1.1
187.07539	19.7
187.11096	1.1
188.08273	1.6
189.05408	3.0
189.09105	10.0
189.12740	1.3
190.06200	1.3
190.09738	0.6
191.07030	1.7
191.10638	1.5
191.14333	0.6
192.07791	0.6
193.04933	0.9
193.08649	1.0
198.06757	2.3
199.07509	2.6
201.05493	2.0
203.03384	7.9
203.07022	7.3
203.14326	1.8
204.07820	12.7
204.09749	0.7
205.08582	2.1
206.09399	1.4
207.02904	7.0
207.10191	0.5
213.12753	1.9
216.07832	4.2
217.08600	1.4
218.09349	0.9
219.06477	0.6
219.10149	1.5
219.13794	0.8
221.04448	4.0
221.08163	0.8
221.11777	2.9
221.15373	0.6
231.02846	1.4
231.10159	6.2
231.13699	5.3
231.17413	1.2
234.08995	0.9
249.03969	28.7
249.11221	100.0
249.14825	7.7
249.18474	2.7
250.04260	0.9
250.11598	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
63.76200	0.6
64.84634	0.7
67.05499	1.2
69.03422	1.5
70.63491	0.5
79.05476	0.9
91.05482	9.0
93.07064	0.9
103.05469	2.2
105.07014	4.6
107.04935	1.8
107.08555	0.7
115.05435	6.2
116.06245	4.2
117.07008	2.8
118.07835	0.6
119.04919	0.8
119.08581	1.6
121.06501	0.9
123.04457	0.5
128.06227	11.5
129.07008	24.6
130.07779	0.5
131.04919	2.6
131.08571	19.9
132.05728	1.7
132.08896	0.6
133.06517	3.0
133.10086	2.2
133.37061	0.6
141.06995	10.7
142.07773	5.4
143.04897	1.0
143.08607	3.3
144.04674	0.9
144.05711	10.1
145.06499	5.3
146.07286	3.8
147.04395	2.4
147.08044	0.9
152.06122	1.2
153.07004	2.2
155.06042	1.6
156.05698	2.5
157.06500	12.1
158.07280	2.9
159.04477	0.8
159.08057	29.4
160.05161	1.0
160.08511	0.9
161.05975	4.9
161.09622	8.4
167.07033	1.2
169.06425	1.8
169.07642	4.2
170.07269	9.6
171.04390	2.2
171.08061	7.3
172.05215	3.4
173.05988	5.0
174.06779	3.0
175.07584	3.0
177.05566	0.8
178.06165	1.0
179.03397	0.9
184.05139	0.9
185.05927	1.7
186.06766	1.0
187.07547	20.6
188.08287	1.3
189.05461	2.9
189.09120	8.7
190.06232	1.3
191.06984	1.1
193.08641	1.3
193.64542	0.6
198.06761	2.1
199.07526	2.7
201.05472	1.4
203.03455	0.9
203.07040	7.0
204.07814	12.1
205.08572	1.8
206.09439	1.2
216.07816	3.7
217.08633	1.0
218.09377	1.7
219.10165	2.2
221.08121	0.9
221.11771	3.1
228.98888	0.9
231.10121	6.4
234.08878	1.3
249.04004	2.4
249.11226	100.0
250.11554	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03953	0.5
53.32683	0.4
53.69291	0.5
55.01863	0.5
57.03424	0.8
67.05479	1.1
69.03422	2.8
69.07056	0.5
70.44138	0.8
79.05478	0.7
79.20004	0.4
81.03414	0.7
81.07050	0.6
85.02900	1.4
91.05482	7.5
93.07004	1.4
94.20805	0.4
95.04961	0.6
97.02893	1.5
99.04497	0.8
103.05470	1.4
105.03381	1.4
105.07018	4.0
107.04945	2.1
107.08581	1.0
109.02863	0.8
109.06525	0.4
115.04048	0.4
115.05439	4.9
116.06244	3.7
117.07025	4.0
118.04171	0.4
118.10453	0.5
119.04945	1.1
119.08560	3.8
121.06514	1.6
121.10113	0.7
123.04400	0.8
123.52860	0.4
127.03903	1.5
128.06236	9.2
129.07014	20.4
129.98607	0.4
130.04143	0.5
130.07762	1.4
131.04915	2.8
131.08577	15.3
132.05742	1.0
133.06471	3.3
133.10130	1.5
135.08073	0.6
135.11667	0.5
139.05389	0.5
141.06985	9.7
142.07808	4.8
143.04942	0.7
143.08549	4.2
144.05708	8.4
145.06493	5.3
145.10165	0.7
146.07312	3.1
147.04379	3.2
147.08026	0.9
147.11673	1.2
148.11975	0.5
152.06213	0.9
153.07004	2.0
155.06044	1.4
156.05696	2.0
157.06479	9.2
157.10141	2.0
158.07265	3.0
159.04478	1.1
159.08064	26.2
160.05214	1.3
160.08307	0.5
161.06012	3.5
161.09608	7.4
167.04950	0.5
167.07074	0.9
169.06450	1.5
169.07681	2.8
170.07271	8.0
171.04390	1.3
171.08040	5.1
172.05199	2.5
173.05995	4.1
174.06770	2.8
175.03870	1.0
175.07568	3.1
175.11124	0.5
177.05496	0.6
178.06180	0.6
179.03403	1.7
181.08772	0.5
185.05995	0.8
185.13240	0.5
186.06740	0.6
187.07539	19.1
188.08247	1.4
189.05486	3.7
189.09123	9.0
190.06189	1.3
191.06953	1.0
198.06828	1.5
199.07602	3.0
201.05457	1.1
203.03394	1.3
203.07025	5.7
203.14334	1.1
204.07817	10.9
205.08650	2.2
206.09549	0.8
207.02873	1.0
212.98676	0.5
213.12677	0.6
216.07835	4.3
217.08543	1.3
218.09343	1.4
219.10112	1.7
221.08150	0.8
221.11729	3.2
231.10179	5.7
231.13760	1.5
234.08986	0.7
249.04138	6.2
249.11226	100.0
250.11604	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.90852	0.5
55.01876	1.1
55.05507	1.2
57.03429	0.9
57.90855	0.4
67.05497	2.7
69.03410	2.0
69.07105	0.6
69.29045	1.0
69.29453	2.1
77.96209	0.5
79.05493	1.6
81.07083	2.7
91.04906	0.8
91.05479	10.0
93.06503	0.5
93.07023	2.3
95.04970	1.2
95.08592	2.1
97.02897	1.4
103.05469	1.8
105.03420	0.9
105.07045	5.6
107.04956	2.2
107.08593	2.1
109.06504	1.1
109.10146	1.4
115.05457	6.5
116.06282	3.6
117.07024	4.2
118.07798	0.6
119.04926	3.3
119.08601	3.1
121.06512	1.6
121.10116	1.5
123.04440	3.5
123.08076	0.5
126.08264	0.5
128.06227	11.9
129.07010	24.0
130.07724	1.1
131.04930	2.7
131.08577	20.7
132.05731	1.3
133.02834	1.8
133.06516	3.8
133.10138	2.4
135.08023	1.5
135.11682	0.9
137.05981	0.9
137.09639	0.5
139.39833	0.5
141.06989	12.3
142.07796	4.9
143.04933	1.2
143.08562	4.9
144.05719	9.2
145.06512	5.6
145.10112	1.9
146.07291	3.8
147.04425	8.2
147.08008	1.3
147.11674	1.5
149.09618	0.8
151.03964	1.2
152.06194	1.7
153.05548	0.5
153.06966	2.1
155.06026	2.1
156.05733	2.8
157.06506	10.6
157.07730	0.4
157.10129	2.3
158.07260	2.4
159.04419	0.9
159.08066	30.0
160.05179	1.8
160.08397	0.8
161.05998	4.2
161.09627	9.2
163.03987	0.6
163.07532	0.6
163.11179	0.6
165.05432	0.9
167.06972	1.0
169.06438	1.8
169.07635	4.0
170.07249	9.3
171.04454	1.8
171.08058	7.2
172.05171	3.6
173.05957	4.9
174.06749	3.0
175.03935	3.3
175.07535	3.4
175.11182	1.0
177.05554	0.8
178.06264	1.4
179.03401	7.7
184.05124	0.6
185.05978	0.8
185.13301	0.7
186.06754	1.1
187.07568	20.2
188.08237	1.4
189.05508	3.2
189.09102	10.3
189.12733	0.7
190.06235	1.7
191.07033	1.3
192.07701	0.6
193.05013	0.7
193.08516	1.2
198.06746	1.9
199.07518	3.2
201.05487	1.6
203.03424	5.6
203.07013	7.8
203.14386	0.7
204.07832	13.4
205.08557	1.3
206.09334	1.6
207.02921	6.7
215.07042	0.6
216.07867	3.5
217.08662	1.0
218.09407	1.5
219.10167	2.2
221.04384	2.6
221.08090	1.1
221.11711	3.8
231.10153	6.8
231.13829	2.0
231.17445	0.6
234.08882	1.1
249.03998	20.1
249.11230	100.0
250.04364	1.0
250.11652	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	249.1488
Annotation	Tessaric acid
Peak:m/z	Relative Intensity
50.62166	0.4
53.03952	1.1
55.01867	0.7
55.05515	3.0
55.17511	0.4
57.07060	1.1
59.04994	1.7
65.03940	0.8
67.05509	5.1
69.03430	4.2
69.07084	2.8
71.04992	0.7
79.05496	6.6
81.03424	0.8
81.07061	11.4
83.04536	0.7
83.04990	6.1
83.08628	2.7
87.34261	0.4
90.95171	0.4
91.05482	7.2
93.03397	0.7
93.07053	4.9
93.29901	0.4
95.04959	2.0
95.08617	4.0
97.06525	1.6
105.03391	0.7
105.07032	10.2
107.04977	1.2
107.08602	5.0
109.02911	0.6
109.06525	7.6
109.10159	3.1
111.04416	0.7
111.08085	1.5
115.05455	0.9
116.06295	0.4
117.07023	2.3
117.07742	0.4
119.04932	0.6
119.08585	11.7
121.06527	2.5
121.10149	2.2
122.07353	0.6
123.04414	0.7
123.08067	5.1
123.11730	3.1
125.05991	0.8
125.09684	0.9
128.06233	1.5
128.41725	0.5
129.06999	2.3
131.08575	4.2
133.06514	1.1
133.10127	9.1
135.08060	6.3
135.11682	1.0
136.08800	0.8
137.05951	0.6
137.09616	1.0
138.10385	0.9
139.11179	1.3
142.07780	1.0
143.08549	6.6
145.06480	1.2
145.10126	3.7
146.07277	0.4
147.08043	9.2
147.11693	1.7
149.09654	2.7
151.11186	89.6
152.11487	2.0
157.10103	2.2
159.08112	1.2
159.11714	1.0
161.09622	10.0
161.13272	2.9
162.09967	0.6
163.07556	2.8
163.11183	0.6
165.05449	0.6
170.10895	1.1
171.08055	1.0
171.11729	1.0
175.07524	0.9
175.11171	0.9
175.14833	11.5
185.13255	3.3
188.08263	0.6
189.09140	2.8
189.12733	1.4
193.08646	0.7
203.14322	26.5
204.14633	1.0
205.12280	0.5
207.10173	1.8
213.12747	0.7
231.13786	10.3
249.14873	100.0
250.15179	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	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03938	3.8
55.05498	6.8
55.17808	1.7
57.56087	1.7
59.04997	2.8
65.03949	3.3
67.05501	12.6
69.03417	7.8
69.07053	6.3
69.68033	3.1
69.68435	5.6
71.05009	11.2
79.05494	16.7
81.03413	9.3
81.07064	26.5
83.04982	2.6
83.08582	2.3
85.06545	4.5
91.05478	25.1
93.07047	21.6
95.04995	9.3
95.08589	11.3
97.06515	3.9
98.22619	2.5
99.04448	2.5
99.08089	5.4
103.05444	6.3
104.35239	1.8
105.03388	7.3
105.07032	37.0
107.04954	3.5
107.08614	19.7
109.02908	3.7
109.06528	9.4
109.10174	8.3
111.08060	3.3
113.06032	2.5
115.05450	4.5
117.06989	8.8
117.86086	1.7
119.04959	12.2
119.08578	22.7
121.06512	9.2
121.10159	14.5
123.04455	10.2
123.08056	7.9
123.11710	2.8
125.09612	4.2
126.81763	1.7
127.11163	3.7
128.06232	4.5
129.07018	9.8
130.07811	4.3
131.04926	3.8
131.08528	12.8
133.02834	7.7
133.06480	3.4
133.10152	12.8
135.08018	5.3
135.11647	5.2
137.06055	3.2
137.09599	5.2
139.11185	3.7
141.07008	3.3
141.09106	1.7
142.07800	4.4
143.08580	13.6
144.05663	2.0
145.06505	3.2
145.09009	3.6
145.10117	53.8
147.04408	30.3
147.08063	6.6
147.11679	6.5
149.09612	4.4
149.13367	1.8
151.03867	5.4
151.11171	3.8
153.01752	1.9
157.02866	2.8
157.06476	2.3
157.10167	11.5
159.08031	8.2
159.11658	10.2
161.09610	10.0
161.13268	13.9
163.11194	15.2
165.05473	6.9
170.07260	2.2
170.10838	1.9
171.07999	5.0
171.11723	6.2
173.09671	3.3
173.13293	4.2
175.03888	13.6
175.07545	4.3
175.11176	7.3
179.03384	29.5
179.10757	2.1
179.14212	3.8
185.13210	5.1
187.07503	3.7
187.11044	2.7
189.05365	2.1
189.09131	5.0
189.12793	3.6
191.10698	4.6
191.14442	2.4
193.04974	3.1
193.08638	2.6
195.11728	2.1
199.07487	1.7
202.73199	1.9
203.03397	24.8
203.06944	2.8
203.14293	5.5
204.07819	2.2
207.02882	26.6
211.35725	2.2
213.12769	6.3
213.16338	8.7
221.04480	16.0
231.02818	1.8
231.13873	10.3
231.17404	16.0
249.03941	100.0
249.11171	22.4
249.14769	14.9
249.18491	25.4
250.04259	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	249.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87499	1.2
53.03946	10.7
55.01871	13.6
55.05508	6.1
57.03440	16.3
57.07067	1.9
59.04996	1.5
61.02913	5.6
65.03949	2.0
67.05507	15.3
68.99783	6.2
69.03431	74.8
69.07066	6.7
69.52164	5.6
71.01331	1.8
71.05000	17.7
72.92726	1.2
73.02924	8.7
75.83130	1.2
79.05493	13.4
81.03419	37.5
81.05392	1.5
81.07063	20.6
82.03791	1.9
83.04984	3.3
83.08623	3.6
84.14044	1.2
85.02908	100.0
85.06527	7.4
86.03221	1.3
87.00834	42.6
87.04470	3.7
91.05479	21.6
93.07047	23.7
95.04976	15.4
95.08604	13.8
97.02895	44.6
97.06512	4.4
98.22643	1.4
99.04457	28.6
99.08099	3.2
101.02394	2.7
101.11813	1.2
103.03957	1.3
103.05493	7.1
104.05760	1.6
105.01879	21.8
105.07039	31.4
107.04971	2.3
107.08596	21.5
108.04531	2.0
109.02882	33.2
109.04829	3.0
109.06538	8.0
109.10149	10.7
110.74789	1.2
111.08067	5.4
113.06012	26.5
115.03946	3.4
115.05412	2.9
117.01847	2.0
117.07027	10.0
119.04953	8.1
119.08586	22.8
120.08122	6.6
121.06512	27.4
121.08435	7.2
121.10121	12.4
123.04434	10.7
123.08068	6.4
123.11702	3.2
123.74898	1.3
125.05980	2.2
125.09617	3.6
127.03918	50.6
127.05858	2.1
127.07561	2.2
127.11231	1.9
128.04263	1.3
128.06229	3.4
129.01860	1.6
129.07019	6.5
130.07788	5.5
131.04932	3.2
131.08566	7.9
133.02872	6.1
133.06462	2.6
133.10144	12.8
135.04414	2.2
135.08049	7.5
135.11679	6.3
137.05951	3.3
137.09622	4.3
138.09166	4.5
139.11220	1.9
141.07004	2.6
142.07767	3.5
143.08560	10.1
143.10559	1.6
145.04990	7.1
145.06528	1.9
145.10130	50.7
146.07283	1.8
147.04416	22.8
147.08069	3.8
147.11699	7.9
149.05949	1.6
149.09587	3.5
151.03903	3.1
151.07574	7.0
151.11174	3.5
156.09383	2.5
157.10101	10.6
159.02911	5.9
159.08055	3.8
159.11668	9.0
161.09619	10.3
161.13289	11.2
163.07553	6.1
163.11208	13.2
165.05524	3.7
171.08086	2.2
171.11716	5.2
173.13225	2.6
175.03903	9.9
175.07553	3.6
175.11197	5.1
175.14836	2.3
179.03401	23.3
179.14297	5.1
185.09676	1.8
185.13290	3.0
189.09129	5.1
189.12769	5.3
191.10669	3.5
191.14308	1.3
193.05005	3.4
203.03415	20.3
203.10672	2.9
203.14342	5.6
203.18092	1.3
205.15953	1.6
207.02928	18.4
207.04845	2.3
207.13763	1.6
213.03886	1.3
213.12830	2.9
213.16414	9.0
217.08623	1.9
221.04457	11.8
221.09952	2.4
221.15323	4.1
231.02879	1.6
231.04956	3.9
231.10301	2.1
231.13875	9.5
231.17426	15.4
232.13377	3.2
249.03958	77.0
249.11182	10.4
249.14841	25.8
249.18506	22.3
250.04268	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	249.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01860	4.3
55.05505	18.4
57.07070	4.2
67.05499	25.9
69.03423	18.7
69.07072	18.6
71.04991	22.1
71.30691	3.7
71.54603	2.7
79.05490	29.2
81.07061	55.9
83.04961	8.7
83.08636	7.9
85.06554	8.1
91.05495	35.7
93.07048	60.6
95.04982	9.4
95.08619	43.0
97.06555	10.6
97.10159	6.6
99.08089	8.0
105.07040	72.5
107.04956	8.6
107.08600	36.3
109.02881	4.6
109.06558	17.6
109.10153	12.3
111.08118	4.5
115.05415	4.7
116.06229	4.8
117.07051	20.1
119.04960	6.1
119.08585	54.8
121.06499	27.8
121.10146	26.3
123.08077	14.9
123.11699	9.7
125.09618	13.5
127.07512	5.1
128.06209	13.1
129.06989	17.7
130.07753	6.8
131.04958	4.4
131.08583	25.5
133.06482	14.3
133.10126	27.0
135.08051	18.4
135.11687	11.0
137.05980	4.0
137.09602	9.1
141.07027	5.2
142.07736	6.0
143.08549	23.7
145.02840	3.6
145.06512	3.3
145.10129	100.0
147.04420	6.3
147.08072	13.0
147.11681	24.4
149.05998	11.9
149.09624	4.2
151.07561	14.0
151.11227	16.8
153.09076	3.1
155.08595	3.2
156.09367	4.7
157.06487	8.6
157.10132	17.7
159.08052	6.9
159.11714	20.2
161.06015	5.9
161.09621	27.6
161.13254	23.9
161.68842	3.2
163.07536	10.9
163.11151	29.2
165.06947	5.2
165.12827	4.8
171.08031	5.3
171.11716	8.3
173.09674	4.3
173.13272	6.2
175.07530	16.7
175.11150	7.2
175.14868	9.6
177.05492	3.9
179.07060	5.1
179.14285	4.8
185.13264	16.6
187.07510	5.4
189.05368	5.3
189.09079	8.5
189.12721	11.4
189.16371	4.4
193.06529	3.6
203.14328	28.1
203.17982	4.6
204.07727	4.4
213.12836	7.4
213.16393	14.0
221.06049	11.2
221.15410	10.2
231.10257	3.9
231.13849	59.5
231.17375	25.1
231.80536	3.7
249.05402	11.9
249.09160	4.7
249.11253	30.6
249.14853	73.0
249.18509	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03950	4.5
55.01860	4.3
55.05505	18.4
57.07070	4.2
67.05499	25.9
69.03423	18.7
69.07072	18.6
71.04991	22.1
71.30691	3.7
71.54603	2.7
79.05490	29.2
81.07061	55.9
83.04961	8.7
83.08636	7.9
85.06554	8.1
91.05495	35.7
93.07048	60.6
95.04982	9.4
95.08619	43.0
97.06555	10.6
97.10159	6.6
99.08089	8.0
105.07040	72.5
107.04956	8.6
107.08600	36.3
109.02881	4.6
109.06558	17.6
109.10153	12.3
111.08118	4.5
115.05415	4.7
116.06229	4.8
117.07051	20.1
119.04960	6.1
119.08585	54.8
121.06499	27.8
121.10146	26.3
123.08077	14.9
123.11699	9.7
125.09618	13.5
127.07512	5.1
128.06209	13.1
129.06989	17.7
130.07753	6.8
131.04958	4.4
131.08583	25.5
133.06482	14.3
133.10126	27.0
135.08051	18.4
135.11687	11.0
137.05980	4.0
137.09602	9.1
141.07027	5.2
142.07736	6.0
143.08549	23.7
145.02840	3.6
145.06512	3.3
145.10129	100.0
147.04420	6.3
147.08072	13.0
147.11681	24.4
149.05998	11.9
149.09624	4.2
151.07561	14.0
151.11227	16.8
153.09076	3.1
155.08595	3.2
156.09367	4.7
157.06487	8.6
157.10132	17.7
159.08052	6.9
159.11714	20.2
161.06015	5.9
161.09621	27.6
161.13254	23.9
161.68842	3.2
163.07536	10.9
163.11151	29.2
165.06947	5.2
165.12827	4.8
171.08031	5.3
171.11716	8.3
173.09674	4.3
173.13272	6.2
175.07530	16.7
175.11150	7.2
175.14868	9.6
177.05492	3.9
179.07060	5.1
179.14285	4.8
185.13264	16.6
187.07510	5.4
189.05368	5.3
189.09079	8.5
189.12721	11.4
189.16371	4.4
193.06529	3.6
203.14328	28.1
203.17982	4.6
204.07727	4.4
213.12836	7.4
213.16393	14.0
221.06049	11.2
221.15410	10.2
231.10257	3.9
231.13849	59.5
231.17375	25.1
231.80536	3.7
249.05402	11.9
249.09160	4.7
249.11253	30.6
249.14853	73.0
249.18509	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03951	21.9
55.01880	7.8
55.05512	33.2
57.03429	2.4
57.07067	6.6
59.04998	1.7
64.03062	1.5
64.26268	1.1
65.03951	1.2
67.05508	55.8
67.82839	1.3
67.90472	1.2
68.96888	1.2
69.03403	2.9
69.07070	40.1
69.48822	6.5
71.04983	2.3
71.08633	2.3
74.61213	1.2
79.05490	25.3
81.03419	78.5
81.07056	56.3
83.04984	17.6
83.08605	10.2
85.06534	2.6
85.10171	5.2
89.26836	1.5
90.33638	1.2
91.05477	18.3
93.07041	21.0
95.04969	41.7
95.08611	24.7
95.39500	1.1
97.06519	4.8
97.09638	1.4
97.10170	9.8
98.22686	2.3
99.08071	2.1
100.07710	1.2
105.07041	18.1
107.08597	14.9
109.06541	13.3
109.10143	15.4
111.08076	1.9
113.09664	2.0
119.08601	9.5
121.10123	11.0
123.08060	3.4
123.11729	8.6
125.09636	4.2
131.75887	1.6
133.10136	14.8
135.11745	6.3
137.09686	1.4
137.13277	4.5
147.11687	6.4
149.13268	4.6
151.11183	38.3
153.12746	2.1
161.13269	4.2
163.14801	2.1
165.12790	11.0
165.16263	1.5
165.51283	1.2
175.14871	2.9
177.16457	2.7
179.14319	5.9
191.17946	3.5
193.15871	2.2
231.21068	8.3
249.07336	1.5
249.12402	1.6
249.22147	100.0
250.22426	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	250.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.6
53.03938	3.0
55.01865	3.8
61.37690	2.2
64.49989	2.1
71.04998	7.7
81.03426	17.0
87.04455	3.8
98.98470	100.0
99.04455	24.1
109.02888	47.7
113.06002	28.4
115.03909	13.9
116.99580	2.5
127.03938	21.8
136.42973	2.3
137.02351	58.6
141.05467	33.5
145.04880	3.1
150.66191	2.6
151.03914	6.4
155.03409	23.0
169.05035	18.3
173.04453	4.2
187.04343	3.7
187.06030	76.7
187.07654	5.0
201.03920	7.2
215.05515	64.7
219.05031	3.1
232.15446	10.0
250.09235	6.1
255.69597	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	250.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03439	16.2
57.07065	0.6
59.36421	0.5
61.98041	0.5
65.03947	0.7
67.05506	8.0
69.03431	1.1
71.04979	1.7
79.05472	0.8
81.07046	1.1
85.02879	0.6
85.06546	21.5
86.06889	0.6
88.01193	0.5
91.05497	2.8
93.07042	4.5
95.04977	18.3
95.08607	1.0
97.02884	0.9
97.06540	0.4
98.98470	25.3
103.05435	2.3
105.07053	1.6
107.08604	0.5
113.06011	100.0
114.06348	1.4
116.99550	0.8
119.08593	1.1
121.06512	72.0
121.10155	1.8
122.06859	1.2
129.44441	0.4
137.06049	0.7
138.09138	23.1
145.10112	0.9
162.09874	0.5
163.11099	0.5
173.81044	0.6
174.99242	1.0
180.03726	0.6
195.72437	0.5
204.03726	0.7
207.06677	0.6
222.04865	0.6
233.15445	0.5
250.04402	2.1
250.11536	0.7
250.14462	9.0
250.18407	0.4
251.10640	0.4
251.16663	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	250.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40928	0.8
53.03959	1.0
55.05519	8.2
58.06619	4.2
64.23036	0.8
65.03931	1.4
67.05509	16.1
69.07060	3.2
69.30563	4.3
70.06600	1.4
79.05502	5.3
81.07066	7.9
82.06587	2.1
83.08613	1.8
84.08133	1.7
88.45280	0.7
90.24841	0.7
91.05492	1.3
93.07078	4.3
95.08614	6.7
95.36401	1.0
96.08152	1.7
98.09701	3.7
98.98476	85.4
106.86232	0.8
107.08586	2.9
109.10155	4.2
111.10489	1.0
116.99506	2.3
121.10155	1.6
124.11230	5.0
163.14845	1.2
174.99194	1.8
208.24704	0.8
250.25328	100.0
251.25710	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	250.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58896	0.2
55.05512	5.4
56.05037	0.7
57.07066	0.6
58.06587	0.7
65.72332	0.2
66.49760	0.2
67.05509	4.8
69.07065	3.0
70.06596	1.5
70.33920	0.4
70.34267	0.5
72.08144	0.3
79.05497	3.2
81.07062	5.0
82.06586	4.8
83.08615	1.0
84.08138	1.2
91.05486	0.5
93.07050	1.6
95.08607	3.7
96.08124	2.1
97.10171	0.5
98.09705	3.0
98.98470	11.8
100.11206	0.3
107.08596	1.5
107.92723	0.2
108.08089	0.5
109.10156	1.2
110.09688	1.3
111.10461	1.3
112.11231	0.8
116.99507	0.4
121.10133	1.1
124.11234	10.6
135.11707	0.3
138.12764	0.9
152.14348	0.4
163.14824	0.3
194.19124	0.3
250.25304	100.0
251.10512	0.3
251.25650	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	251.0308
Annotation	Diazodiphenoquinone
Peak:m/z	Relative Intensity
54.56052	2.1
56.52644	1.9
61.54957	1.9
62.19677	2.2
66.29176	1.9
67.02264	1.9
69.67612	2.2
70.19503	7.0
72.08160	12.7
84.08149	6.7
85.31126	2.0
87.64600	2.2
94.92995	2.9
95.62438	2.0
98.22656	2.5
98.98468	93.4
116.99452	3.1
118.94115	4.2
152.01526	2.1
161.03081	2.7
174.99277	3.5
178.99799	3.9
181.35916	2.2
190.99849	10.8
209.00874	16.3
251.03081	100.0
251.08633	5.0
251.16130	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	251.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
56.05035	1.4
56.60440	0.2
62.65936	0.2
65.82998	0.2
69.81767	0.7
71.05004	0.3
79.05491	2.8
84.04508	31.0
85.02911	0.3
85.04806	0.2
88.89487	0.2
91.05473	0.4
93.88621	0.3
95.04948	0.6
98.98470	27.6
102.05544	0.5
103.05466	2.1
105.07034	100.0
106.07362	1.9
107.04970	0.6
116.99503	0.7
119.08552	0.3
121.06487	0.2
122.09673	32.4
123.10045	0.6
130.05005	4.0
131.04907	0.3
136.06189	1.8
137.09767	0.3
145.10152	0.3
146.05960	0.2
163.11385	0.2
168.93889	0.2
174.99257	0.9
177.05475	0.6
187.07584	0.3
192.06630	0.2
205.13376	5.0
233.08054	0.2
234.11258	22.1
235.11687	0.6
251.13962	7.4
251.16426	0.4
252.14548	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	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03944	0.7
55.01870	0.9
55.05503	1.5
57.03425	0.7
59.05001	4.7
67.05507	2.0
69.03426	0.9
69.07066	2.3
69.79741	0.4
71.04993	4.0
79.05488	2.3
81.03419	0.7
81.07066	4.4
83.04969	1.4
83.08632	0.5
85.06580	0.7
91.05489	6.9
93.07058	5.1
95.04945	1.3
95.08617	7.6
97.06570	1.1
98.98469	100.0
99.04467	0.7
99.08110	0.7
105.07034	8.0
107.04968	1.6
107.08598	3.0
109.06551	1.0
109.10159	1.8
111.04443	1.3
111.08078	0.8
113.09641	2.0
115.05401	0.7
116.06224	0.5
116.99537	2.9
117.07037	1.8
117.09180	0.5
119.08583	13.6
120.08112	2.5
121.06519	1.6
121.10129	3.3
121.92889	0.6
123.04432	0.6
123.08078	1.4
123.11746	0.7
125.09614	0.7
129.07013	0.9
131.08559	9.3
133.10144	2.6
135.08058	1.8
135.11705	1.8
137.05992	0.9
137.09547	1.2
139.07454	0.6
143.08543	0.6
144.09358	0.8
145.06479	0.7
145.10133	6.9
146.06004	0.9
147.08046	2.8
147.11699	1.0
149.09592	1.4
150.09293	0.5
150.38602	0.5
157.10191	0.7
159.08069	0.9
159.11711	1.7
161.13281	0.6
163.07498	0.9
163.11200	1.9
164.04771	0.5
167.10703	0.9
173.09653	1.2
174.99203	3.0
177.09189	0.6
179.93987	0.5
187.11189	2.2
187.14836	4.6
189.16333	0.5
191.10692	1.1
191.14302	0.8
193.08661	0.5
194.82355	0.5
205.12216	1.0
205.15880	6.7
207.06468	0.8
215.10716	1.1
215.14365	2.2
233.11752	1.2
233.15349	10.6
251.05208	1.1
251.10632	0.6
251.12694	1.1
251.13443	0.8
251.16417	14.3
252.16338	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	251.1642
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03964	0.9
55.01886	1.1
55.05513	8.7
57.07046	1.0
59.05000	1.5
59.68065	0.9
64.34971	0.7
67.05506	3.4
69.03423	3.4
69.07071	10.7
69.14689	6.3
71.05005	1.3
72.64997	0.8
79.05499	7.0
81.07054	7.0
82.03649	0.9
83.04982	10.1
83.08632	1.0
84.04511	1.5
91.05492	6.5
93.07047	23.8
95.04973	2.8
95.08614	7.2
97.06537	2.0
98.98469	100.0
103.05467	0.9
105.07035	9.4
107.04951	1.5
107.08594	6.3
109.06495	4.0
109.10162	3.2
111.04446	10.7
111.11733	2.9
116.99477	1.5
117.07021	1.3
119.04954	1.0
119.08576	5.9
120.08109	3.3
121.06500	2.7
121.10151	38.3
123.08073	3.1
123.11746	1.0
125.09623	2.3
129.07069	1.2
131.04953	1.5
131.08589	2.9
133.06564	0.9
133.07736	0.8
133.10139	1.7
135.08078	2.3
135.11694	1.6
137.05977	1.2
137.09637	2.6
139.11200	2.8
145.10110	4.3
146.06073	1.0
147.04483	0.9
147.08061	1.3
149.09634	17.0
149.13481	0.9
151.07576	1.0
159.04454	0.9
159.08022	1.2
163.11124	1.8
165.09102	1.4
167.10683	92.2
168.11043	1.4
173.09755	1.2
173.13268	1.3
174.99249	2.5
175.11256	1.4
177.05370	1.0
177.09061	1.3
187.11176	1.2
187.14842	2.3
189.12830	1.0
191.10652	1.7
191.14302	1.6
192.04485	0.9
205.04942	2.6
205.12276	0.9
215.08347	1.3
215.14391	1.3
215.65160	0.8
233.04445	1.4
233.15440	3.0
251.05467	2.8
251.10304	1.5
251.12675	2.0
251.16429	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	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.07265	0.4
55.05513	0.9
57.07075	0.7
59.04994	1.2
62.05616	0.4
63.14196	0.5
67.05510	3.3
69.03432	3.5
69.07069	1.4
71.04997	2.5
71.29736	0.5
77.01588	0.6
77.76402	0.5
79.05498	2.4
81.03429	0.6
81.07075	3.6
83.04995	1.2
83.08617	0.5
85.06543	1.2
87.04483	1.0
91.05494	2.7
93.07053	3.9
95.04967	1.8
95.08622	2.8
97.06532	1.1
98.98474	100.0
99.08094	0.6
103.05450	0.7
105.07044	6.5
107.04967	0.7
107.08608	4.4
109.06516	1.0
109.10159	3.9
111.04452	3.0
113.06010	2.7
115.03919	1.1
116.99545	3.0
117.00251	0.6
117.07008	1.4
119.04948	0.5
119.08595	6.1
121.06513	1.8
121.10150	17.8
123.08088	1.5
123.11716	1.8
125.05987	1.1
125.09620	1.1
129.06984	0.4
129.81918	0.4
131.04924	0.9
131.08574	1.4
133.10138	2.4
135.08034	1.4
135.11708	1.7
136.07639	0.5
137.02235	0.5
137.09645	3.1
137.13271	1.2
139.11186	0.5
145.02820	0.9
145.10162	3.0
147.04419	0.8
147.08069	1.5
147.11740	1.5
149.05971	0.6
149.09605	1.3
149.13287	0.5
153.12791	0.7
159.04437	0.9
159.11679	0.6
161.05989	0.6
161.09673	0.9
163.07617	0.6
163.11212	2.3
165.09097	3.2
167.07111	0.5
167.10683	0.5
173.09621	0.6
173.13258	2.6
174.99229	2.9
175.04039	0.5
175.11211	0.5
177.05453	1.2
177.09178	0.8
181.12312	1.8
187.14836	1.6
191.14383	1.4
205.05035	1.7
205.15952	2.7
212.91734	0.5
215.14374	1.6
223.16998	2.6
233.04375	0.7
233.08081	0.5
233.15388	4.2
251.05414	1.7
251.10637	1.1
251.12688	1.2
251.16423	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	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
50.93665	0.8
51.06242	0.9
55.05504	2.9
59.04991	2.1
67.05506	7.1
69.03437	7.6
69.07080	4.8
69.15630	3.9
69.16043	2.0
69.26789	0.9
71.04997	9.4
72.51049	1.0
79.05497	5.4
81.07069	10.5
83.04970	2.6
85.02911	1.4
85.06561	1.5
91.05483	7.8
93.07046	10.4
95.04963	5.3
95.08596	6.8
97.06524	3.4
97.10156	1.0
98.98469	100.0
99.04449	1.2
103.05470	1.1
105.07027	11.5
107.04955	1.4
107.08621	12.2
109.06515	3.0
109.10167	10.9
111.04446	11.2
113.06017	1.3
113.84732	0.8
115.03895	1.9
115.05479	1.2
116.99506	2.9
117.07017	2.7
119.08577	16.6
120.08100	6.0
121.06517	3.2
121.10154	11.6
123.08044	3.1
123.11755	4.5
125.06001	2.6
125.09624	5.7
131.04961	1.0
131.08522	4.8
132.04425	0.9
133.10170	5.0
135.08041	2.8
135.11708	6.0
136.06219	2.5
137.09615	15.4
137.13220	1.6
139.07568	1.2
139.11194	1.5
143.08594	2.0
145.10121	7.9
147.08087	4.6
147.11710	3.3
149.09624	2.2
149.13229	1.1
151.11150	1.1
153.12709	1.7
157.10027	1.1
159.11650	1.1
163.03856	0.8
163.11154	7.3
165.09140	10.7
170.05977	1.3
171.32083	0.9
173.09630	1.7
173.13272	3.6
174.05563	0.8
174.99205	4.1
175.11171	1.2
181.12257	3.4
187.14838	3.6
191.14282	2.6
195.05206	0.9
198.05539	2.9
205.15959	6.4
206.08046	2.1
215.14326	3.5
216.06573	2.8
223.07553	2.3
223.16966	8.2
233.11758	1.8
233.15381	8.6
234.07620	2.0
251.07146	1.5
251.12323	1.7
251.16425	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	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
50.13239	0.4
52.08098	0.4
53.03962	0.8
53.64621	0.5
55.01876	0.8
55.05511	1.1
55.52839	0.6
57.07090	0.6
59.05001	0.5
59.79594	0.5
64.64611	0.5
66.11828	0.5
67.05510	1.9
69.03430	1.7
69.07079	1.3
71.05000	8.8
71.29890	0.7
77.44077	0.5
79.05492	2.9
80.30087	0.4
81.07061	3.6
83.04971	0.8
83.08639	0.5
85.06564	0.9
87.04478	2.1
87.31438	0.5
90.29230	0.4
91.05481	4.8
93.07053	3.8
95.04990	1.2
95.08607	3.5
98.98471	100.0
99.04436	0.8
103.05491	0.8
105.07037	10.9
107.04995	1.2
107.08609	2.1
109.06528	0.9
109.10172	2.8
110.13362	0.5
110.35210	0.5
111.08117	0.9
113.06012	7.6
115.03930	2.5
116.99506	3.0
117.07022	1.5
119.08575	5.1
121.06535	1.0
121.10148	42.2
122.10483	1.0
123.08041	2.2
125.09607	0.8
127.11195	14.9
131.08569	2.4
133.07613	0.8
133.10136	1.9
135.08063	1.9
135.11650	0.7
137.09660	1.0
137.13284	1.8
139.07555	1.0
140.01132	0.6
145.06514	0.6
145.10147	2.7
147.08060	15.2
147.09218	1.0
147.11707	1.1
149.05968	1.9
149.09653	1.1
157.10187	0.5
159.11713	1.4
161.09624	1.7
163.11180	1.4
165.09084	1.0
171.11731	1.1
173.09630	1.2
173.13289	2.1
174.99231	3.0
177.05544	1.0
177.09074	1.0
177.12671	0.6
177.16437	0.5
187.14828	1.4
191.10716	1.2
195.06544	1.0
205.15907	1.4
213.07574	3.2
215.14392	1.5
233.15346	6.6
240.39163	0.5
251.12651	3.7
251.16345	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	251.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64345	1.2
53.03928	1.3
53.81770	1.0
55.47985	1.2
61.77219	1.1
69.03427	1.5
69.07056	1.2
70.61451	1.4
70.61780	1.8
71.04997	48.0
74.00658	1.3
79.05489	6.1
81.07047	5.8
86.09711	6.2
91.05500	2.4
93.07023	2.5
95.04967	1.1
95.08601	1.5
98.98471	100.0
103.05479	1.5
104.03483	3.9
105.07019	2.8
106.06552	3.3
107.04971	10.6
107.08634	1.5
109.10175	3.4
116.99505	1.5
119.03527	2.2
119.08614	2.7
120.08111	1.4
121.06484	8.0
121.10125	1.6
123.08118	2.6
127.11200	99.8
131.04929	3.4
131.08557	2.0
133.10063	1.6
135.08057	1.9
136.06190	75.6
137.04703	1.4
137.05972	6.6
138.09134	2.3
145.06488	1.4
145.10107	3.2
149.09668	2.6
151.07544	2.7
163.07590	1.4
163.11183	2.1
173.09575	1.7
174.99191	2.0
177.09117	5.4
192.06543	3.2
215.14363	1.9
233.15369	3.0
234.13477	10.3
251.12611	2.6
251.16476	3.9
252.14546	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91399	0.5
57.07074	0.3
69.78830	0.7
69.79163	0.4
74.27448	0.3
95.08588	0.3
98.22549	0.3
98.98471	17.2
99.85612	0.3
101.00880	1.3
114.92626	0.3
116.98777	0.4
116.99517	0.6
119.01919	4.8
134.99915	1.7
137.02925	1.4
139.54668	0.3
140.98732	1.4
153.00977	0.7
158.99911	5.3
161.01468	0.6
174.99100	0.3
177.00958	60.8
178.01089	3.8
179.01346	0.5
180.42857	0.3
185.01480	1.1
195.02007	0.7
200.02605	0.5
201.00972	0.8
203.02519	25.5
204.02580	1.7
205.00418	1.1
210.99326	1.6
219.02016	11.0
220.02133	0.9
226.04079	0.7
229.00433	8.6
230.00568	0.3
247.01508	100.0
248.01657	5.7
249.02156	0.4
252.08714	1.1
252.12370	0.5
270.03021	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	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
55.18175	0.6
65.03946	1.3
67.05510	0.8
67.33205	0.6
69.11271	4.6
70.02959	1.6
74.02442	28.1
79.05505	1.8
81.07063	3.0
84.76797	0.6
88.03586	0.9
88.03994	50.4
91.05482	100.0
92.05829	1.5
94.04070	1.7
97.24582	0.5
98.98469	39.7
105.03355	0.6
105.07037	0.9
107.05014	0.9
116.03462	15.4
116.99527	1.3
117.07014	1.7
118.06554	0.9
119.03532	2.1
120.08134	2.8
121.06469	0.9
123.04383	0.7
127.03907	0.9
134.04491	57.3
136.06189	88.4
137.04587	1.6
137.05870	1.2
145.06430	2.8
146.05966	1.7
161.05968	1.3
163.07492	2.0
164.07045	3.9
175.07489	0.6
177.05367	0.8
180.10172	2.3
181.08536	1.9
188.07007	0.8
192.06514	0.8
206.08116	3.0
207.63847	0.6
217.12213	0.6
234.07651	3.9
234.11360	1.1
234.13451	14.0
241.15248	0.6
252.08586	2.1
252.14445	44.6
253.14841	0.9
255.84700	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	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40007	0.5
59.87858	0.5
70.02945	0.7
71.20161	0.8
82.01166	0.5
87.00812	2.5
91.05463	1.3
93.07043	2.7
98.98470	2.2
103.05470	8.0
118.06548	9.6
120.08109	100.0
121.08460	1.5
128.04997	1.4
136.06207	1.1
146.06017	18.1
156.19124	0.5
164.07109	0.6
166.08682	1.8
188.07063	18.6
192.06575	1.4
206.08133	54.4
207.08490	1.0
234.07597	1.4
252.14439	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	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.30128	0.8
59.74203	0.9
62.49126	0.8
65.28889	0.9
70.06608	3.2
74.00642	0.9
76.12382	0.9
79.05499	34.2
81.07065	2.6
84.04502	2.0
86.02428	2.5
86.09695	1.5
87.00835	2.3
88.04006	1.2
91.05507	2.9
95.05005	1.4
98.22620	1.7
98.98468	18.4
103.05479	8.2
104.03471	56.0
105.07040	5.7
106.05843	1.6
106.06570	32.7
106.07361	5.7
107.04959	100.0
108.05287	1.0
109.36861	0.9
111.35152	0.9
118.99897	2.6
120.01131	1.3
120.08154	1.1
121.06509	1.2
122.09667	1.1
123.10040	2.0
124.07616	1.0
126.16303	0.9
131.04927	26.6
132.04449	2.9
136.06190	40.5
137.04575	1.9
149.05998	9.2
153.99902	1.2
192.06548	28.7
228.77684	0.9
234.07675	2.1
234.11449	1.4
234.13551	5.3
235.11638	1.1
252.08926	1.1
252.12128	1.6
252.14578	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	0.7
87.00845	2.4
91.05471	1.4
93.07040	1.6
98.23473	1.0
98.98468	4.3
103.05476	8.6
107.04963	0.6
118.06545	9.9
119.38599	0.5
120.08112	100.0
121.08439	1.6
127.11122	0.6
128.04974	2.0
131.04909	0.7
133.22713	0.4
133.91435	0.4
136.06200	2.1
146.06020	19.6
164.07036	0.5
166.08632	1.1
188.07086	17.1
189.07423	0.9
192.06557	1.1
206.08136	47.6
207.08417	1.0
252.08780	1.0
252.14633	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	252.1092
Annotation	Deoxyadenosine
Peak:m/z	Relative Intensity
50.92311	0.2
57.03431	0.4
69.03423	0.8
70.94740	0.4
71.04991	1.3
73.02922	1.9
81.03408	0.6
90.51011	0.2
94.04065	0.3
98.98479	1.4
99.04445	2.4
117.05486	4.8
117.06284	0.3
119.03539	1.4
136.06189	100.0
137.04601	0.3
137.06604	1.2
237.72665	0.2
252.10930	3.1
252.13429	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	252.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
57.03442	0.4
62.66964	0.2
70.78214	0.4
74.02444	0.5
77.52159	0.2
79.05499	1.0
81.07058	3.1
88.03992	0.7
91.05482	1.8
94.04086	1.1
97.06541	0.4
98.98466	3.6
100.99946	0.2
103.05502	0.4
105.07035	0.3
116.03492	0.2
118.06562	0.3
119.03547	2.4
120.08108	1.9
121.06518	0.6
123.36459	0.2
127.76533	0.2
131.04929	0.3
134.04488	1.1
136.06189	100.0
137.04605	1.2
137.06506	0.9
139.10400	0.2
146.06032	0.7
163.34645	0.2
164.07022	0.4
175.03897	0.3
179.10715	0.2
181.08621	1.0
188.07057	0.4
206.08101	1.1
206.09853	0.2
210.07515	0.2
224.06905	0.2
234.13493	15.6
235.09642	0.5
235.13861	0.3
252.09131	1.4
252.14555	46.5
253.10872	0.3
253.14893	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	252.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.05276	1.5
55.05510	17.5
56.05021	4.1
57.07071	1.0
58.06608	6.3
67.05503	16.8
69.07072	12.2
70.06591	1.4
79.05471	3.5
81.07059	32.4
83.08632	6.0
86.06059	3.9
95.08598	18.4
97.10142	2.5
98.09692	66.9
98.97858	1.7
98.98465	24.9
100.84788	1.0
102.57693	1.1
109.10152	7.3
123.11653	1.7
124.11166	1.1
126.09152	100.0
127.09459	1.0
131.61436	1.1
137.13237	2.4
142.69449	1.2
145.80496	1.0
151.31429	1.0
154.15932	1.5
158.64995	1.0
182.15414	3.6
224.23718	6.9
246.42526	1.1
252.08578	1.6
252.12447	2.6
252.23212	87.2
252.26833	9.6
253.23570	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	252.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05505	1.7
56.05018	0.6
57.06832	0.7
57.07083	5.9
57.15885	0.8
57.76144	0.5
67.05499	1.4
68.05001	0.6
69.03424	0.7
69.07067	1.0
69.18733	1.7
69.19137	1.6
70.06628	0.5
70.93650	0.5
71.04977	0.7
72.08134	1.2
79.05479	1.6
80.05017	2.0
80.41537	0.5
81.03423	0.6
81.07067	2.7
82.06612	0.5
86.26165	0.6
91.05464	1.0
93.07014	1.9
95.04979	0.8
95.08616	2.9
96.08930	0.6
98.06072	0.9
98.09697	0.5
98.98475	45.0
99.08072	0.8
100.11244	0.9
105.07042	2.7
107.08615	1.1
108.08099	0.8
109.10191	0.9
110.09672	2.0
116.99489	1.5
119.08519	0.5
120.08086	1.9
121.10133	0.6
122.09653	1.3
123.10477	0.8
123.11661	0.7
123.89928	0.5
124.11196	1.7
133.10136	1.1
135.11734	0.9
136.06190	1.3
136.11232	6.3
137.13223	0.9
147.11685	0.6
150.05646	0.6
150.12784	2.6
151.13539	1.6
152.14346	8.9
154.12277	6.7
154.15884	2.1
164.14346	1.9
166.15916	1.5
171.14841	0.6
178.15924	3.9
179.16730	1.5
180.17471	0.5
206.08133	1.0
206.18976	1.0
208.20618	100.0
209.20972	2.6
210.22116	0.9
222.45734	0.5
252.12477	1.1
252.16452	1.5
252.23244	76.2
253.14149	1.0
253.23601	2.1
257.36002	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	252.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05512	10.9
57.07071	1.3
58.06318	0.5
58.06602	10.5
67.05508	15.0
69.07072	11.7
69.07645	0.4
71.28616	0.4
72.08135	0.5
79.05484	1.4
81.06590	0.8
81.07064	14.9
83.08628	4.4
93.07042	1.2
95.08614	14.4
97.10179	2.2
98.09702	0.6
98.98471	13.7
109.10145	4.9
110.10598	0.4
123.11733	1.1
152.78821	0.4
171.73412	0.4
174.99318	0.4
182.19070	0.8
222.28951	0.4
252.08716	0.4
252.26874	100.0
253.27237	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	252.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.4
55.73521	0.3
57.07069	0.8
58.06316	0.6
58.06602	11.1
61.72896	0.4
62.04298	0.3
67.05507	13.0
69.07070	15.5
69.60170	0.9
69.60581	0.9
70.46130	0.3
72.08144	0.9
72.41725	0.4
76.01823	0.5
79.05486	1.0
81.07062	14.2
83.08618	4.3
95.08611	14.1
97.10164	1.8
98.09713	1.0
100.10011	0.4
109.10157	5.3
116.21825	0.3
123.11692	1.3
137.13184	0.4
182.19073	0.5
252.26874	100.0
253.27249	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	253.0707
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
53.03935	0.5
55.01869	2.3
55.05495	0.4
57.03438	1.9
57.07082	0.7
67.05494	1.2
68.02616	0.3
68.99799	0.5
69.03433	0.7
69.05951	2.4
69.07069	0.8
70.69100	0.4
71.04984	0.4
76.22919	0.3
79.05496	2.3
81.03435	0.5
81.07055	1.7
83.04959	0.5
89.03899	0.7
91.05473	4.1
93.07057	1.5
94.28735	0.3
95.04945	1.2
95.08602	0.8
97.02872	0.5
97.06531	3.7
98.98465	46.7
100.98882	0.4
103.05459	1.5
105.03416	0.7
105.06373	0.6
105.07029	5.5
106.07380	2.0
107.04917	1.1
107.08545	0.7
109.02884	0.4
109.04015	0.4
109.06512	0.6
109.10155	0.4
110.07156	0.5
111.04472	0.6
112.01617	0.4
113.02448	0.4
115.05447	6.5
116.99485	1.1
117.07031	0.8
119.04969	2.6
119.08590	1.3
119.90098	0.4
121.06500	1.9
122.02708	0.5
122.06833	0.6
123.04430	1.9
123.08025	0.9
125.06013	0.7
125.75573	0.4
127.03941	3.2
129.06990	0.6
131.04926	1.3
132.04430	0.5
133.02847	3.2
133.06512	3.7
133.10179	0.4
135.04417	0.7
135.08031	1.1
136.07666	0.4
137.05995	1.2
137.09579	0.6
139.03888	1.4
139.07507	0.7
143.04909	3.9
145.06499	0.7
147.04402	6.7
147.08081	1.0
149.05934	0.8
149.09589	0.5
151.03891	1.1
151.07526	0.9
153.01796	0.6
155.03365	1.3
156.04066	0.3
161.05998	6.5
163.03860	0.6
163.07545	3.0
165.05461	4.3
165.09149	0.5
166.08725	0.4
171.04413	11.6
173.06062	0.4
174.99333	0.4
175.03874	4.0
175.07538	1.2
175.14883	0.4
176.98911	1.0
179.03395	27.3
179.06987	1.5
179.10634	1.2
180.03687	0.5
181.08604	6.2
183.02811	0.5
189.05460	26.4
190.05757	0.8
191.03371	0.4
191.07024	4.5
193.01305	0.5
193.04987	2.1
195.61021	0.3
197.11667	0.7
199.03909	10.1
200.04375	0.7
203.07034	0.6
207.06448	2.0
207.10168	1.5
209.08076	1.7
209.13730	0.6
217.04961	100.0
218.05289	3.3
225.11032	0.5
235.06018	25.7
235.09389	2.0
236.06462	0.9
238.01077	0.5
253.03340	1.2
253.07074	17.0
253.10721	3.4
253.17900	0.4
254.07497	0.6
254.09975	0.4
258.91745	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	253.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65335	0.6
53.15113	0.5
55.05511	1.7
56.96568	88.6
57.07076	1.0
67.05512	2.5
69.03442	0.7
69.07072	2.1
71.06954	1.3
71.95266	17.3
72.96055	5.9
74.97609	0.9
76.70441	0.6
79.05503	1.9
81.07050	3.9
83.04986	0.7
84.96048	3.0
85.06525	0.7
91.05474	5.0
92.98671	0.9
93.07047	3.8
95.04958	1.1
95.08626	2.2
97.06554	0.9
97.10131	0.6
97.96845	1.4
97.99203	0.8
98.98470	59.9
99.04435	0.8
104.40308	0.5
105.00179	2.1
105.07027	3.1
107.08604	2.0
109.06531	2.2
109.10156	1.1
110.64841	0.6
110.97562	3.3
115.00651	0.6
116.99513	2.0
118.06565	2.3
119.01746	1.7
119.08588	1.9
121.06522	2.3
121.10148	1.3
123.01163	2.9
123.11698	1.0
127.00690	1.2
127.07521	0.9
128.98625	4.6
133.06622	0.6
133.10158	1.5
135.08052	2.4
136.07596	3.2
137.02754	6.0
137.05965	1.0
139.07587	1.3
141.02216	1.8
143.08661	0.7
145.01808	0.7
146.99678	3.0
147.11705	2.0
149.09647	0.8
151.04294	2.2
155.03792	3.4
157.01750	0.6
157.10106	1.4
159.03276	1.2
161.01279	0.7
161.13322	0.8
163.17444	0.6
165.05881	0.6
165.12781	1.8
167.03844	0.7
169.01674	0.9
169.05363	2.5
171.11716	1.5
174.99196	1.2
175.08662	0.7
175.11143	1.4
177.05905	0.9
179.07474	1.9
183.06918	0.8
185.04872	0.7
187.06453	0.6
189.12669	1.4
193.08893	0.8
193.12248	1.6
195.06970	1.7
197.08533	2.1
199.06380	0.9
199.11288	0.6
207.13800	1.0
217.12234	4.0
223.10052	5.8
225.11697	0.6
229.07533	1.4
235.10028	7.2
235.13297	4.0
241.11121	64.9
242.11507	1.3
253.11128	88.4
254.11545	1.7
259.12186	70.2
260.12540	1.2
264.12692	3.1
271.12173	100.0
272.12561	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	253.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55721	0.5
55.01853	0.7
55.05502	1.8
57.07069	0.6
67.05513	1.5
69.03409	0.9
69.07069	1.2
69.65185	2.3
69.65537	0.6
71.04977	1.3
75.27343	0.5
77.78498	0.5
79.05500	2.1
81.03472	0.5
81.07048	2.6
83.04986	1.5
85.06554	1.2
91.05484	1.8
93.07030	1.9
95.04984	1.0
95.08595	1.6
97.06525	0.9
97.34759	0.6
98.98473	50.8
103.05392	0.6
104.84942	0.5
105.07020	2.9
107.08591	2.3
109.06499	1.1
109.10172	0.8
115.05447	0.6
116.99517	1.5
117.07069	0.8
117.18449	0.5
119.08589	1.7
121.06470	1.1
121.10152	1.2
123.04478	0.8
123.08088	0.7
125.02377	0.9
125.09626	1.8
127.03922	0.8
129.06955	0.6
131.08546	1.1
133.06429	1.2
133.10095	1.2
135.11606	0.6
137.09631	1.1
139.03978	0.6
143.10703	2.3
147.04428	0.7
147.07999	0.8
147.11707	1.2
149.13226	0.7
151.03902	0.9
151.07495	0.6
155.03366	0.8
157.10043	0.6
168.00508	0.8
169.05028	1.1
174.99265	0.6
175.07513	0.9
182.54774	0.5
183.02898	3.8
193.08598	2.0
196.67323	0.5
197.11778	0.8
199.67052	0.5
207.11853	0.8
208.20628	0.6
209.20953	1.3
217.12201	0.8
217.15935	0.7
235.13213	1.3
235.16968	2.0
253.14125	100.0
253.23318	1.2
254.14543	1.9
271.13840	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	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
55.01867	4.0
55.05495	4.4
67.05507	14.1
69.03423	5.3
69.07056	9.3
70.06596	45.0
70.19128	5.2
71.04984	9.6
79.05497	20.0
81.07059	49.5
83.04971	7.5
83.08618	2.7
85.02901	2.1
85.06544	3.2
86.09705	4.7
87.16849	1.6
91.05466	15.3
93.07040	37.2
95.04955	12.1
95.08604	17.0
97.06533	18.0
98.98470	100.0
99.04420	8.4
99.08080	3.9
105.04513	2.8
105.07028	24.2
107.04958	7.2
107.08598	17.0
109.06515	31.0
109.10145	7.9
111.04484	2.6
111.08067	4.9
113.05997	4.5
114.05521	3.3
116.07127	8.5
117.05481	1.7
119.08574	17.5
121.06506	92.8
121.10136	5.6
123.04392	3.7
123.08059	6.8
123.11667	2.8
125.06021	4.0
125.09618	3.5
127.07539	12.8
127.11183	3.8
128.10683	2.8
129.07030	4.9
131.08562	5.6
133.06506	3.5
133.10136	10.4
133.21423	1.9
135.04437	3.1
135.08066	22.2
137.05975	4.1
139.07542	14.3
141.05461	2.6
142.07761	5.8
143.08600	8.6
145.10110	6.4
147.08067	4.0
147.11682	26.8
149.09624	2.9
151.03912	5.9
151.11142	3.1
156.09377	2.3
157.08813	2.5
157.10101	13.9
161.09610	2.7
161.13274	13.4
165.06975	3.2
165.12730	5.0
166.07727	3.1
171.11679	15.0
175.11212	17.0
181.08612	2.1
181.10112	5.0
184.08804	2.5
189.12740	20.6
193.12227	19.9
199.11139	25.2
207.13805	12.7
212.12758	4.7
217.12241	77.4
218.12650	1.9
235.13287	38.9
253.14279	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
55.01876	3.7
55.05518	7.2
56.89851	2.7
67.05499	8.6
69.03419	3.9
69.07060	7.6
69.22911	16.4
69.23313	4.8
71.04993	9.7
77.40204	2.3
79.05502	18.2
81.07056	41.9
83.04992	6.5
85.06539	5.1
91.05496	13.9
93.07046	42.3
95.04971	8.8
95.08597	15.3
97.06544	15.3
98.98470	100.0
99.04477	8.1
102.85843	2.2
105.07041	25.7
106.31727	2.5
107.04988	3.8
107.08597	25.9
109.06515	19.8
109.10146	4.6
109.58011	2.3
111.08102	3.0
113.06028	4.1
119.04891	2.6
119.08577	14.9
121.06513	74.9
121.10134	5.5
123.08030	5.2
125.05997	6.2
127.07599	14.2
129.07028	4.1
131.08578	4.8
133.06508	5.0
133.10141	12.2
135.04402	2.9
135.08061	15.1
135.11780	2.7
137.05960	4.0
139.07565	18.5
141.05481	3.1
142.07848	5.9
143.08534	7.5
145.10083	4.5
147.11699	26.7
155.08586	2.9
156.09283	4.2
157.10101	16.0
161.13289	8.8
165.12767	7.4
166.07848	3.9
171.11694	16.9
175.11226	16.8
181.10149	4.1
189.12733	18.3
191.54955	2.3
193.12265	12.5
199.11177	24.8
207.13736	11.9
216.62515	3.0
217.12238	63.1
235.13286	54.8
253.14384	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	253.1436
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03945	4.7
55.01875	4.1
55.05510	10.1
57.03434	2.1
57.07079	2.2
66.40421	1.9
67.05507	13.9
69.02361	2.2
69.03407	3.2
69.04055	15.3
69.07080	9.4
71.04993	8.4
79.05498	30.3
81.07058	41.6
83.04974	8.3
83.08630	4.8
85.06548	3.5
91.05482	19.9
93.06473	4.1
93.07049	59.7
95.04953	7.4
95.08607	12.8
97.06538	15.6
98.98476	100.0
99.04461	11.6
101.06011	2.2
105.07039	29.5
107.04976	5.5
107.08600	25.4
109.06524	25.5
109.10164	5.3
111.08103	3.1
113.06022	3.8
115.05444	2.1
116.99483	3.4
117.07011	3.7
119.08583	20.3
121.06521	67.2
121.10149	4.5
123.04449	2.3
123.08054	4.3
123.11712	3.7
125.06006	3.7
127.07555	10.2
129.07016	7.1
131.08565	6.1
133.06477	4.4
133.10149	14.8
135.04456	3.9
135.08063	15.7
137.05992	3.6
137.09651	2.1
139.07564	16.7
141.05453	3.8
141.06998	2.6
142.07814	4.4
143.07065	2.0
143.08559	10.6
145.06427	2.9
145.10129	7.7
147.08035	4.7
147.11699	32.7
151.07558	2.8
156.09335	3.7
157.10123	17.2
161.09671	3.0
161.13281	7.3
165.12741	11.3
166.07776	3.2
168.59996	1.8
169.04994	3.5
171.11702	15.3
175.07576	2.4
175.11177	19.4
181.10098	2.8
183.02905	7.8
189.12714	22.7
193.08592	2.5
193.12204	12.0
197.09566	1.8
197.11693	2.4
199.11208	22.3
207.13811	13.1
217.12247	69.3
235.13315	52.8
235.32968	1.9
253.14172	65.9
253.18091	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	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03951	3.9
54.45416	1.3
55.01866	6.1
55.05511	10.4
62.96039	1.4
64.13633	1.2
65.03923	1.9
66.25919	1.3
66.70931	1.3
67.05511	15.1
69.03438	5.6
69.07073	7.7
71.04998	10.2
71.28864	2.2
72.16678	1.3
72.45224	1.5
79.05495	31.8
81.03398	2.2
81.07057	61.2
83.04995	7.9
83.08621	4.0
85.06550	8.2
88.11414	1.5
91.05483	22.0
93.06471	2.6
93.07050	41.8
95.04972	12.7
95.08606	19.4
97.02882	1.3
97.06538	20.9
98.98470	88.3
99.04468	6.6
100.11248	6.9
104.95196	1.7
105.04562	1.4
105.07030	32.2
107.04951	7.5
107.08603	26.5
109.06519	33.0
109.10162	9.9
111.04424	2.5
111.08079	3.9
112.41777	1.3
113.06010	3.6
116.99513	1.6
117.07026	3.7
119.04948	1.4
119.08591	19.2
121.06509	100.0
121.10143	8.3
123.04412	3.6
123.08089	6.3
123.11710	4.0
125.06048	3.4
125.09711	2.0
127.07564	14.3
128.06241	3.4
129.07001	6.8
131.08585	6.4
133.06499	4.9
133.10136	16.7
133.11086	2.1
135.04420	6.2
135.08060	18.6
135.11703	2.9
137.05975	3.7
137.09625	3.7
139.07552	12.3
141.05450	1.7
142.07776	5.1
143.08563	9.9
145.10104	8.2
146.65169	1.4
147.08090	3.9
147.11684	28.6
149.09630	2.5
151.07552	2.3
155.08493	2.1
156.09297	3.3
157.10124	16.7
159.08020	2.2
159.11617	2.0
161.09613	3.6
161.13274	15.2
163.14777	1.4
165.06985	1.4
165.12778	5.8
166.07755	4.6
168.13860	2.7
171.08037	2.6
171.11707	15.1
173.09633	2.6
175.07449	1.8
175.11198	19.3
179.10535	1.5
181.08684	1.7
181.10175	6.5
184.08859	3.0
185.16530	3.3
189.12740	19.7
193.12245	23.2
195.10078	1.7
199.11205	35.1
199.14738	1.4
207.13794	11.7
217.12248	90.6
218.12646	1.3
235.13289	40.6
235.17015	3.9
240.00246	1.4
253.14317	19.3
253.17886	3.2
265.66003	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	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03946	1.0
53.37043	1.0
55.01879	2.5
55.05513	4.1
57.07084	2.2
62.51077	0.9
63.29324	1.1
67.05507	8.9
69.03433	1.8
69.07072	4.5
71.05000	4.2
71.29593	1.4
79.05502	7.4
81.03443	1.4
81.07066	18.3
83.04987	3.2
83.08627	1.9
85.06538	1.4
87.08127	0.9
91.05487	8.2
93.07059	11.3
95.04977	4.7
95.08616	6.7
97.06496	5.5
98.98473	100.0
99.04469	2.0
105.07043	11.2
107.08607	8.2
109.06537	7.2
109.10165	5.4
111.08070	1.9
113.06042	2.5
116.99485	2.2
117.06997	1.3
119.08575	7.9
121.06527	10.4
121.10167	3.4
123.04425	1.8
123.08072	4.9
123.11729	2.7
125.06045	1.5
127.07552	4.1
129.06961	1.9
131.08554	1.3
133.06496	2.0
133.07538	1.4
133.10138	6.7
135.08064	16.9
137.05971	2.2
139.07565	7.7
140.01152	1.1
141.05467	2.7
142.07779	1.1
143.07011	1.2
143.08542	2.3
145.10173	2.0
147.08081	2.5
147.11685	12.9
149.09695	1.4
151.11243	2.4
156.09306	1.0
157.08713	1.2
157.10156	3.6
161.09647	1.5
161.13286	3.1
163.07571	1.2
165.12766	8.5
171.11710	4.1
174.99205	2.0
175.08748	1.2
175.11198	11.8
184.08791	1.1
189.12770	8.4
193.08586	1.5
193.12268	21.4
195.10127	1.2
199.11168	4.8
207.13853	3.3
217.12259	22.2
235.13316	11.1
235.16946	1.3
253.11928	2.6
253.14383	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	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03933	2.1
55.01868	1.3
55.05518	7.5
55.55465	0.9
57.03423	1.2
57.07067	2.3
59.05000	1.0
65.03947	1.1
67.05506	22.5
67.05843	2.0
69.03430	30.1
69.07066	9.5
71.02941	0.8
71.04989	16.0
73.06583	0.9
78.04646	0.9
79.05496	14.6
79.82500	1.1
81.03423	2.3
81.07056	24.8
83.04984	4.9
83.08625	2.2
85.02857	0.9
85.06551	9.5
91.05474	12.3
93.07046	38.2
95.04969	17.0
95.08611	15.5
97.06544	6.6
98.98469	100.0
99.08073	5.6
103.05505	1.5
105.07027	31.8
105.76988	1.0
105.90891	1.2
107.04984	2.1
107.08592	19.9
109.06535	5.2
109.10150	16.5
111.08085	8.0
113.06014	1.5
116.99469	2.3
117.07044	2.2
119.04972	1.3
119.08580	14.9
119.55579	0.9
121.06508	13.5
121.07345	1.3
121.10143	51.8
122.10484	1.5
123.08088	5.6
123.11701	3.8
125.09617	8.2
127.03845	0.9
127.07540	2.3
127.11246	1.3
129.07066	1.4
131.08569	10.7
133.10121	17.6
134.09671	3.0
135.08049	8.7
135.11674	5.2
137.09622	3.8
139.11208	3.0
143.08568	1.8
143.10648	2.6
145.10094	5.8
147.08067	2.0
147.11674	15.3
149.09601	6.3
149.13281	3.0
151.11179	3.6
157.10101	3.3
159.11726	3.8
161.09612	4.9
161.13330	1.7
163.11208	1.3
163.14824	1.0
165.09096	1.4
165.12738	7.0
167.10724	1.2
171.11699	1.4
173.13214	1.6
174.99400	1.2
175.11200	3.2
175.14835	4.3
176.99001	1.6
177.12779	11.7
179.10742	1.3
181.08575	1.2
187.14780	2.2
189.12720	1.5
189.16379	9.7
193.15913	1.6
197.11804	2.1
199.14857	3.6
205.12018	1.1
205.15913	6.4
207.10149	1.3
207.17485	3.1
217.15852	9.9
235.13301	2.2
235.16945	20.3
253.14104	13.2
253.17973	29.9
254.15317	3.0
254.18210	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	253.1798
Annotation	Elongatol A
Peak:m/z	Relative Intensity
52.58607	0.7
53.03943	1.5
53.43342	0.8
55.05497	2.0
57.12965	0.7
58.97408	0.9
67.05500	14.7
69.01236	0.9
69.03427	30.6
69.07050	2.7
69.33423	0.8
70.96029	0.7
71.04994	1.2
71.30283	0.9
75.04474	0.8
79.05492	6.0
81.03431	0.9
81.07056	17.8
83.04971	3.2
83.08607	0.9
85.06544	8.0
87.71677	0.8
91.05468	5.0
93.06480	1.3
93.07039	19.8
95.04977	1.7
95.08595	6.5
97.06533	3.8
98.98465	100.0
99.04460	1.1
100.98853	1.4
105.07035	14.1
107.08596	10.3
109.02866	3.3
109.06496	2.9
109.10149	4.2
111.08067	5.2
114.09143	0.8
116.99469	3.0
119.04897	1.7
119.08571	6.0
121.06490	3.1
121.10142	17.7
123.08048	3.0
123.11668	1.6
125.09592	4.0
131.08548	1.6
133.06456	1.1
133.10123	10.1
135.08084	3.7
135.11696	1.7
139.11174	1.7
142.07689	1.2
145.10075	1.3
147.11703	4.3
149.13258	1.0
151.11099	2.3
157.10081	1.9
159.11664	3.8
161.09563	2.8
163.14651	0.9
165.07072	0.8
169.07840	0.8
171.11708	1.5
174.99188	2.2
175.11188	1.3
175.14810	1.5
176.98953	1.5
177.12723	12.8
179.10654	0.9
180.02876	1.3
189.16322	1.7
197.05946	1.7
197.11731	1.7
199.14760	1.9
205.15901	8.0
217.15834	5.9
225.05307	3.7
235.16927	15.2
253.04936	9.5
253.08604	3.1
253.15309	1.4
253.17958	27.4
273.85474	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	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03944	1.2
55.01868	1.9
55.05512	4.4
57.03452	1.0
57.07073	2.2
67.05508	12.3
69.03426	1.8
69.07071	7.4
70.97558	1.7
71.04999	10.2
79.05494	5.3
81.07067	13.3
83.04981	1.9
83.08614	1.7
85.06555	2.8
86.60470	1.0
91.05492	5.4
93.07055	10.0
95.04975	8.8
95.08612	8.2
97.02869	1.6
97.06561	3.2
98.98470	100.0
99.04494	1.7
99.08073	1.6
101.05471	1.0
105.07057	8.0
107.08598	11.3
109.06501	2.7
109.10157	15.4
111.08100	2.1
113.06035	1.4
115.05474	1.2
116.99511	2.0
119.08585	7.8
120.08179	1.1
121.06516	2.5
121.10157	7.2
123.11698	1.9
125.09661	4.7
127.11269	1.2
131.08583	2.5
133.10153	7.4
135.08032	6.8
135.11716	4.6
137.09625	2.5
139.07555	1.4
143.08623	1.2
145.10117	3.6
147.11713	8.7
149.09648	1.9
149.13263	1.7
151.11237	1.5
153.12738	3.3
157.10161	2.2
159.11661	2.1
161.09662	1.3
161.13368	1.3
163.11093	1.1
165.12761	1.6
166.02451	1.1
175.07545	1.1
175.11253	3.3
175.14799	2.2
179.10770	1.2
189.12669	1.2
189.16446	4.0
191.17978	1.8
193.12289	2.5
193.15901	2.3
197.11687	1.5
216.08464	1.1
217.12248	1.9
217.15901	3.9
235.13326	4.1
235.16975	5.8
235.20615	1.2
253.12032	1.8
253.14264	10.5
253.18106	3.0
253.21536	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	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
52.10131	0.7
52.80518	0.6
53.03955	0.7
55.05503	2.2
57.03440	0.7
57.07061	1.6
58.52105	0.7
59.04983	0.7
65.03933	0.8
67.05509	8.6
68.08834	0.6
69.03428	1.7
69.07066	4.6
69.29771	2.1
69.30175	2.2
71.05002	7.4
75.57456	0.6
79.05495	4.1
81.03416	0.9
81.07067	8.1
82.07384	0.9
83.04984	1.6
83.08611	2.8
85.02949	0.7
85.06538	1.7
91.05483	3.5
93.07047	6.3
95.04979	5.0
95.08614	7.6
97.06522	2.4
97.10177	1.1
98.98470	100.0
99.04472	1.1
99.08134	0.7
100.98905	0.9
101.22446	0.7
103.80567	0.6
105.07021	6.3
107.08588	8.0
109.06516	1.7
109.10159	11.1
111.04437	1.0
111.08061	1.3
116.99518	2.7
119.08577	6.1
121.06502	1.3
121.10144	6.4
123.08083	0.9
123.11722	2.4
125.05931	0.9
125.09634	3.8
127.11156	0.9
131.08528	1.2
133.10144	4.1
135.08022	1.2
135.11693	5.2
145.10104	3.1
147.08031	1.4
147.11696	5.6
149.09671	1.8
149.13281	1.8
153.12756	1.8
154.37624	0.8
157.10158	1.0
159.11670	1.4
161.09633	0.8
161.13252	1.2
165.12741	1.2
174.99242	1.7
175.11209	1.3
175.14848	1.5
176.99054	1.1
179.10765	0.9
186.98003	0.7
189.12743	0.9
189.16426	2.5
193.12238	0.8
193.15926	1.6
195.70821	0.7
197.11690	1.1
199.15024	0.8
207.17435	0.9
211.14839	0.8
217.15863	3.2
217.19487	0.8
233.76559	0.6
235.16948	3.4
253.14214	1.7
253.17766	1.4
253.21750	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	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
50.09842	1.0
55.05509	2.0
57.07091	1.5
67.05511	7.8
69.03417	1.4
69.07068	4.1
71.04996	16.7
73.06553	1.1
79.05477	3.2
80.05019	1.0
81.03410	1.5
81.07071	8.6
83.04959	1.3
83.08615	1.7
85.06535	2.1
91.05479	4.3
93.07036	5.6
95.04968	8.7
95.08615	6.6
98.98470	100.0
99.04455	28.3
105.07050	6.6
107.08596	8.8
109.06515	2.3
109.10153	11.1
113.05984	1.5
116.99502	2.9
119.08604	8.7
121.10136	7.4
123.08089	1.1
123.11740	1.7
124.25146	1.2
125.09618	3.9
131.08588	2.0
133.10138	3.2
135.08096	1.3
135.11700	2.9
137.09587	2.3
139.11230	1.1
143.08524	1.4
145.10141	3.1
147.11653	5.4
149.13293	1.0
153.12706	2.3
157.10136	1.3
159.11699	4.5
167.10681	1.0
172.60944	1.0
174.99371	1.0
175.11118	1.3
175.14809	3.0
176.99065	1.2
177.12727	1.8
189.16383	3.5
193.16100	1.1
199.14787	1.1
207.17488	1.2
213.28094	1.1
217.15892	3.5
235.17004	6.5
253.17812	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	253.2164
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03947	2.7
55.01883	3.6
55.05515	63.7
57.03442	4.5
57.07080	12.2
62.20877	1.4
65.03948	2.2
67.05509	67.7
69.03433	2.7
69.07072	80.3
70.17271	3.2
71.05000	7.9
71.08652	2.8
79.05493	33.8
81.03434	1.6
81.07063	97.3
83.04991	5.4
83.08624	50.2
85.06551	11.1
85.10181	2.0
89.42577	1.6
91.05487	22.9
93.07049	39.4
95.04958	2.5
95.08611	73.4
96.08972	1.5
97.06528	10.9
97.10179	34.8
98.23309	1.8
98.98473	100.0
99.04530	1.5
99.08092	8.8
105.07040	23.7
107.08594	29.0
109.06512	2.3
109.10163	34.4
111.08079	9.8
111.11723	11.2
113.09644	2.4
116.99506	2.0
117.07051	1.9
119.08598	18.9
121.10149	42.0
123.08087	4.6
123.11721	13.4
125.09635	6.2
125.13315	2.7
129.09111	1.6
133.10129	23.6
135.08078	5.0
135.11699	37.1
135.12698	3.0
137.06009	1.4
137.09683	7.2
137.13239	8.9
139.11182	5.8
141.09120	1.9
147.11697	16.9
149.13252	7.4
151.11174	6.8
151.14842	5.4
153.12752	3.9
161.13277	13.0
165.12718	8.2
175.14838	6.4
176.98880	2.0
179.14371	4.7
183.57478	1.4
189.16408	3.6
191.18103	1.5
193.12244	2.1
193.15915	1.9
193.19511	7.8
195.10329	1.7
217.12323	4.7
217.19533	33.5
218.19589	1.6
235.13336	4.2
235.20558	21.1
253.14282	2.7
253.21623	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	253.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62806	0.9
55.01884	1.7
55.05511	24.9
57.03422	1.9
57.07072	6.3
57.07307	1.0
58.37225	0.8
61.76035	1.1
63.03452	0.8
67.05508	29.1
69.03424	1.5
69.07072	37.9
71.04993	2.8
71.08633	1.9
71.30118	1.4
76.49242	0.8
79.05489	13.2
79.05910	1.1
81.03423	1.0
81.07057	39.3
83.04984	2.3
83.08620	23.7
85.06540	4.4
91.05485	10.6
93.07044	18.4
95.04974	2.1
95.08612	30.8
97.06538	7.1
97.10173	16.9
98.98467	100.0
99.04441	1.8
99.08086	5.5
100.98889	1.4
105.07041	15.1
107.08600	11.2
109.06528	2.6
109.10155	14.6
110.20721	1.0
111.08077	4.3
111.11739	6.7
113.09666	1.3
115.05489	1.0
116.99518	2.0
119.08580	12.1
121.06537	1.8
121.10149	17.0
123.08099	1.8
123.11700	6.7
125.09634	1.5
125.13311	1.5
127.07574	1.0
131.88277	1.1
133.10136	10.4
135.11697	13.8
137.09618	3.3
137.13271	3.8
139.11163	4.8
147.11671	8.5
149.13293	3.6
151.11205	4.4
151.14737	1.3
153.12761	2.6
155.10504	1.0
161.13264	8.2
165.12781	3.8
171.11833	0.9
175.14847	4.2
176.98932	2.6
179.14310	2.3
188.07092	1.0
189.16339	1.7
191.18126	1.1
193.19559	2.7
197.11719	1.2
217.12282	1.2
217.19514	13.3
218.08128	1.0
235.13249	1.7
235.16847	1.5
235.20558	8.7
253.08548	1.3
253.12010	1.9
253.14369	1.7
253.17227	2.3
253.21625	8.5
254.10017	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	253.2163
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
50.80679	0.9
53.03952	3.0
55.01855	1.4
55.05513	32.5
56.41002	0.9
57.03447	2.4
57.07083	8.6
59.05020	0.9
63.26506	1.0
67.05507	37.9
69.03432	1.4
69.07070	45.2
69.15199	5.9
71.04996	6.5
71.08630	1.0
79.05494	19.2
81.07059	52.6
83.04988	4.0
83.08619	31.8
85.06547	7.4
91.05490	13.2
93.07049	25.9
95.04980	3.3
95.08607	41.1
97.02920	0.9
97.06541	9.2
97.10177	19.6
97.10778	1.6
98.98470	100.0
99.04475	1.7
99.08085	6.4
100.98922	1.3
105.07040	17.7
107.08598	15.0
109.06503	4.5
109.10159	16.9
109.10896	1.0
111.04475	1.5
111.08093	5.0
111.11732	8.3
111.39494	0.8
113.05968	1.2
113.09702	1.2
116.99532	2.3
117.07021	1.3
119.08595	13.2
121.06509	7.0
121.10145	22.8
123.08065	2.6
123.11707	8.4
125.09607	4.2
125.13303	2.0
127.07607	2.5
129.06993	1.0
133.10138	13.6
135.08035	3.2
135.11691	18.7
137.09628	4.9
137.13251	4.3
139.07600	1.1
139.11197	3.5
141.05496	1.0
143.08620	2.3
145.10172	1.6
147.11700	12.7
149.13281	3.1
151.11214	3.9
151.14842	2.5
153.12752	2.7
157.10143	2.2
161.13248	11.1
165.12718	4.2
166.62654	0.9
171.11732	2.9
174.99243	1.8
175.11220	2.0
175.14801	4.9
176.98888	1.0
179.07077	2.1
179.14322	2.9
189.12758	3.9
189.16420	1.2
191.17928	1.4
193.12274	2.5
193.19533	3.3
197.11757	1.4
199.11197	2.4
207.13829	2.2
217.12285	6.7
217.19511	15.9
218.19937	1.1
235.13297	8.0
235.16930	1.3
235.20555	11.9
253.11894	1.4
253.14259	2.0
253.17001	3.4
253.21654	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05504	3.8
61.02927	11.0
69.07077	4.0
70.06579	4.2
71.01366	8.8
71.08148	4.4
75.04498	18.3
79.05476	3.7
80.86257	2.8
81.03426	4.8
81.07066	2.9
87.04478	5.0
88.29997	2.7
97.02915	2.8
98.98469	63.2
100.98915	3.7
103.03948	18.8
106.06572	3.5
110.06049	3.4
110.07166	13.0
116.08214	2.9
121.84969	2.7
131.03409	6.8
153.01886	6.2
159.02905	68.3
163.12251	4.2
176.07230	3.6
187.02277	3.5
195.11380	11.1
208.14540	6.5
219.05009	100.0
254.10249	9.1
254.14818	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	254.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
56.46003	0.3
59.69114	0.4
65.03942	1.3
69.11494	2.4
70.71819	0.4
72.08170	1.9
72.51939	0.4
79.05495	1.9
81.03427	1.1
81.07043	0.8
85.02869	0.4
91.05482	44.1
92.05813	0.7
93.07065	2.6
95.04966	6.5
97.06538	0.5
98.98462	2.5
103.05451	1.7
105.04540	0.5
105.07043	0.8
107.04951	0.7
108.05750	0.5
109.02862	1.5
109.06540	0.5
119.04945	32.2
120.05293	0.6
121.06509	30.2
123.08045	0.5
134.06026	0.7
136.05174	4.6
137.05974	14.2
149.05989	1.1
151.07542	100.0
152.07935	1.9
153.01869	1.9
159.88657	0.4
162.05551	0.6
165.05434	1.0
168.10226	0.8
176.07050	2.0
177.05516	0.7
179.05804	0.8
180.06555	5.5
181.08580	0.6
182.08971	1.6
192.13829	17.6
194.08127	43.2
195.08435	1.2
201.41737	0.4
205.04958	0.8
219.06528	7.0
220.06737	0.4
222.07637	0.6
236.09164	4.7
236.16483	1.8
254.10204	6.9
254.17484	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	254.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.7
56.05050	1.0
56.96545	0.8
57.03440	2.0
68.05025	1.1
70.06584	2.0
71.29194	0.6
74.09699	0.7
79.05489	4.1
81.04540	1.7
81.07055	15.2
81.07528	1.0
82.05316	3.0
83.06103	19.3
93.04524	11.1
94.06509	0.7
95.06087	24.4
98.98459	3.3
107.06090	1.5
110.07161	90.0
111.05550	2.7
111.07487	1.1
112.08743	2.3
116.07050	0.9
121.07640	1.2
123.00777	0.6
124.03954	0.8
132.42776	0.6
137.07861	1.0
138.06593	1.0
146.09628	0.8
147.11218	0.6
151.12317	0.6
156.07668	4.3
163.12302	43.9
164.12756	0.6
166.02907	1.3
166.06152	0.7
166.13409	1.3
167.03458	1.6
180.12587	2.2
181.13390	2.0
190.13380	16.3
193.13362	5.7
195.11508	0.5
196.06046	2.1
208.14444	60.5
209.12846	3.0
209.14658	1.3
210.16002	1.9
212.03357	0.6
219.11339	0.7
236.13991	1.0
254.14987	100.0
255.15175	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	254.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05509	3.4
56.05023	1.2
57.03424	1.3
68.05021	1.8
70.02957	1.3
70.06589	4.0
70.07266	0.6
70.75723	1.2
79.01848	0.6
79.05483	4.5
81.04549	2.0
81.07054	15.4
82.05327	3.2
83.06102	21.9
83.11784	0.6
93.04532	11.7
95.06085	27.5
98.98475	4.6
99.28197	0.6
104.05819	0.7
107.06109	1.7
109.07725	0.7
110.07162	100.0
111.05531	3.2
111.07467	0.7
112.08729	2.6
114.05579	0.7
116.07085	2.5
119.06083	0.8
120.08109	4.6
121.07616	2.6
121.08438	8.3
144.24527	0.6
151.12315	0.8
153.01846	1.7
156.07680	5.3
163.12302	46.2
166.13466	0.8
168.06628	0.8
171.07741	0.7
180.12581	1.1
181.13338	2.1
185.09224	1.1
190.13374	18.2
191.13580	0.6
193.13371	5.5
195.11356	0.7
196.06076	4.0
206.55811	0.6
208.14444	64.8
209.12837	2.7
209.14645	1.5
210.16005	1.4
210.30177	0.6
212.01097	1.6
213.00467	0.8
219.11320	1.1
230.02197	0.8
236.13873	1.1
249.02321	1.7
254.14987	96.8
255.15320	2.3
272.04218	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	254.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
63.70159	0.3
65.03941	0.4
66.65879	0.3
69.17451	1.4
69.17852	0.6
70.77136	0.3
79.05511	0.5
79.18132	0.4
81.03403	0.3
81.07071	0.3
88.10257	0.4
89.36151	0.3
91.05486	10.8
93.07051	16.8
95.04980	2.7
98.23306	0.7
98.98476	2.4
103.05472	11.5
105.04508	1.2
107.08624	0.4
117.07003	0.4
118.06544	1.4
119.07355	1.6
121.06511	100.0
121.60867	0.3
122.06860	1.1
127.66132	0.3
133.10077	0.4
134.09660	50.1
135.09959	1.2
159.11784	0.4
178.15962	0.4
192.13858	0.4
204.88322	0.3
254.15416	43.2
255.15712	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	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05514	0.3
57.03432	0.3
70.68394	0.2
70.84598	0.5
72.07755	0.5
72.08157	7.3
73.81246	0.3
76.24683	0.2
77.03928	0.4
79.05486	0.7
81.07063	1.8
91.05482	3.5
93.07052	8.0
95.04962	0.8
98.98489	0.6
103.05486	4.0
105.04530	0.3
112.91047	0.2
116.10724	0.8
121.06512	100.0
122.06856	1.8
133.06464	0.3
192.13837	54.2
193.14149	1.2
227.12883	0.3
236.16479	5.4
254.17528	13.6
255.18159	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	254.2842
Annotation	(-)-Solenopsin A
Peak:m/z	Relative Intensity
52.30952	0.2
53.00294	0.3
53.03935	0.5
55.05513	15.1
57.07076	4.5
58.06601	11.5
67.05497	0.5
69.07071	16.5
71.08627	2.2
72.08149	0.8
78.00920	0.3
79.05458	0.3
83.08620	9.1
84.08940	0.3
85.10161	1.3
91.05493	1.3
97.10171	6.4
97.67133	0.3
98.98478	1.5
111.11723	1.6
184.20618	2.7
198.22256	0.4
229.14500	0.3
254.10260	0.4
254.28426	100.0
255.28783	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	255.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
55.01873	0.4
55.05502	0.2
57.03439	6.4
68.99811	0.3
69.03435	0.4
69.07057	0.3
69.37340	0.3
69.37748	0.8
71.05009	0.2
79.01852	5.6
79.05515	0.3
81.03423	3.0
81.03865	0.3
81.07036	0.2
85.02909	12.7
87.00838	0.2
91.05492	0.7
92.05821	0.3
93.07074	0.2
95.04980	0.3
97.02885	1.0
97.69508	0.2
98.98475	3.7
100.98907	0.2
103.05476	0.2
107.01323	4.5
109.02884	5.8
119.04977	0.4
120.05233	0.3
121.06534	1.2
122.06865	0.4
123.00778	0.2
123.04463	0.3
125.02361	5.1
127.03920	7.9
135.00729	0.2
137.03482	0.2
139.03908	0.4
143.02272	0.4
143.03398	7.1
147.04491	0.2
149.09547	0.2
151.04002	0.3
151.07573	0.7
152.07916	1.2
153.01834	100.0
153.02901	6.0
154.02148	1.4
167.03430	0.4
171.02899	5.9
171.04379	0.3
181.06554	0.3
187.99448	0.2
192.13803	0.3
193.14151	0.3
195.02919	1.5
195.08498	0.7
220.06902	0.2
237.03897	0.6
240.26393	0.2
255.04967	20.2
256.05359	0.4
273.02701	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77500	11.4
59.65870	13.2
62.45057	12.0
69.45580	55.8
69.78647	11.8
85.06813	11.6
94.93025	92.9
98.23338	15.9
98.98483	100.0
100.63940	13.6
119.01980	11.1
121.25605	10.6
130.82466	13.6
143.01991	17.2
161.02919	26.8
165.73219	13.6
178.99852	28.1
196.85605	15.9
197.00850	24.6
212.85141	17.5
254.86234	59.3
255.06168	29.9
257.28122	12.3
259.55765	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	255.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
58.93584	0.7
65.06304	0.7
67.05520	1.3
69.07069	2.1
69.72298	0.8
71.05009	1.0
79.05501	1.3
81.07044	2.6
83.04974	1.0
85.06550	0.9
91.05478	1.1
93.07050	2.8
95.08611	1.7
98.98470	11.9
100.11267	1.3
105.07043	2.6
107.08595	1.3
109.06531	1.2
109.10146	1.5
110.62844	0.7
111.04448	0.9
114.98734	0.9
119.08666	0.9
121.06472	1.4
121.10173	1.2
131.08549	0.7
133.10138	0.8
134.09654	0.7
135.08028	1.5
145.10117	1.5
153.01886	2.2
195.13805	1.0
199.15215	0.8
246.77737	0.9
255.15688	100.0
256.16132	1.7
273.15509	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97594	1.4
51.34262	1.4
53.03949	2.6
54.42830	1.5
55.01882	3.8
55.05514	25.1
57.03440	46.8
57.07069	6.7
59.40699	1.5
65.03950	2.5
67.05508	84.6
68.99709	8.0
69.00147	5.9
69.03419	2.6
69.07069	28.9
69.07642	1.6
71.01358	8.3
71.04990	10.0
77.00764	1.3
77.03861	1.8
79.05495	69.3
81.03405	8.8
81.07054	38.7
83.04984	19.3
83.08640	11.0
85.06542	6.1
91.05483	32.4
92.87396	1.5
93.07045	76.7
94.07365	2.3
95.04946	7.4
95.08603	13.4
97.06535	22.0
97.10165	19.9
98.98470	29.4
99.04458	2.9
99.08091	3.7
105.07034	10.9
107.08598	51.6
107.68700	1.5
109.06470	3.3
109.10152	16.4
111.08100	3.7
116.99457	1.6
117.07030	7.7
119.08585	10.9
121.06463	3.4
121.10147	14.7
125.09633	4.3
131.08559	1.7
133.10127	5.9
135.08080	4.4
135.11697	100.0
136.12062	1.9
143.08527	2.3
145.10147	19.1
147.11781	1.9
153.12799	4.3
157.10133	3.7
159.11774	2.1
163.11174	15.9
171.11688	1.8
174.71919	1.5
181.12231	17.1
197.13329	2.5
199.15010	1.9
219.17529	1.8
237.16458	1.6
237.18452	8.2
255.10370	1.8
255.13167	2.3
255.15691	40.1
255.21205	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	256.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99739	0.2
56.05033	0.2
56.63769	0.3
58.33459	0.2
58.50689	0.2
60.08164	0.5
65.15192	0.2
70.06586	0.6
70.49101	0.7
74.50404	0.2
79.01855	0.9
80.05033	0.3
82.06607	0.4
84.04532	0.2
84.08147	0.7
85.84256	0.2
86.09718	0.3
91.05450	0.2
95.06039	0.3
97.02859	0.3
101.00930	0.2
107.45003	0.2
108.04480	1.1
110.07191	1.5
111.07507	0.4
119.55139	0.2
121.06522	0.5
124.03969	0.4
125.02361	0.9
125.07146	0.6
143.03398	2.3
153.01826	57.0
154.02199	1.0
155.71652	0.2
197.04448	100.0
198.04781	2.2
212.12816	0.2
215.08835	0.2
239.10416	0.3
240.08676	0.6
243.93469	0.3
256.11789	15.8
256.26166	0.3
257.11356	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	256.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
60.08162	0.4
65.46886	0.2
69.23299	0.7
69.23695	1.0
79.01869	0.9
86.09773	0.4
91.05462	0.3
97.02928	0.3
110.07156	0.6
111.07513	0.3
114.05510	0.4
121.06513	1.5
124.03996	1.3
125.02341	1.2
136.07628	0.3
143.03398	2.6
147.24600	0.3
148.22447	0.3
148.23619	0.3
153.01826	58.4
153.02827	2.8
154.02156	0.8
196.07208	0.4
197.04448	100.0
198.04776	2.6
207.88559	0.3
256.09625	0.5
256.11761	12.7
256.26590	0.3
257.12106	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	256.1696
Annotation	Diphenhydramine
Peak:m/z	Relative Intensity
50.70707	0.2
51.02379	0.2
53.03944	0.9
53.24903	0.2
55.01883	0.2
55.05509	2.1
57.03430	0.6
57.07077	0.5
59.42795	0.2
63.77404	0.2
65.03946	0.3
67.05496	0.6
68.05029	0.3
69.07063	0.4
69.24120	0.2
73.67575	0.2
77.03938	0.5
79.05493	9.6
80.05809	0.2
81.03434	0.4
81.07058	8.2
83.04988	0.2
83.08620	0.2
91.05482	2.8
93.07044	0.8
94.06538	0.5
95.04980	1.3
96.04477	0.3
102.93869	0.2
103.05472	4.9
105.07030	100.0
106.07365	1.8
107.05001	0.2
107.08588	1.1
108.08114	1.9
109.06522	0.7
109.08882	0.5
109.10181	0.2
110.06037	0.3
114.06738	0.2
117.07023	0.8
120.08109	0.8
122.09697	0.4
125.09669	0.4
127.73100	0.2
129.07054	0.3
132.08061	0.4
134.09615	1.5
135.08032	1.0
136.07626	0.2
136.11171	0.4
145.10086	0.3
146.09668	0.3
148.11232	0.3
150.09099	0.3
152.10683	1.1
153.38957	0.2
158.09573	0.4
160.11192	0.5
164.10703	0.5
172.11224	0.7
174.09169	0.4
176.10709	2.7
184.11275	1.0
198.12906	0.3
200.10666	2.3
200.14343	3.5
202.15955	1.0
214.12283	3.3
226.15961	0.3
228.17546	1.1
238.15918	6.3
254.15448	0.4
256.16956	23.8
256.26260	1.2
256.30035	0.4
257.17276	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	256.3
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
57.07077	6.1
58.06589	1.6
60.08168	22.8
61.08489	0.2
66.33185	0.2
70.57166	0.4
71.08629	2.2
74.25312	0.2
85.10185	0.8
98.97600	0.5
104.66168	0.2
116.98592	0.2
147.80713	0.2
151.50250	0.2
256.29996	100.0
257.30298	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	257.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02181	1.4
53.03953	5.6
54.41254	1.4
54.64008	1.5
55.01879	13.0
55.05515	15.9
57.03436	6.1
61.02933	64.0
65.03931	3.3
67.05508	19.0
68.99801	2.4
69.03438	7.2
69.07080	7.2
71.01374	1.8
71.05000	3.3
73.02913	8.6
77.24067	1.4
79.05499	25.1
81.03434	6.8
81.07064	49.5
81.07536	3.5
83.01365	5.1
83.04998	6.4
83.08643	3.2
85.02921	5.0
86.09746	1.5
91.03964	32.5
91.05480	20.0
93.03405	2.3
93.07046	26.1
95.01334	4.1
95.04972	13.3
95.08623	9.3
97.02900	2.6
97.06537	4.8
103.05469	2.1
105.07063	7.9
107.04967	4.4
107.08607	9.7
109.02892	3.8
109.06514	9.8
109.10171	2.2
111.04454	5.6
111.08086	100.0
113.02402	2.6
115.05504	2.1
117.07005	1.6
119.03423	3.1
119.08596	6.1
121.06500	8.8
121.10186	4.2
123.04452	6.0
123.08081	14.7
123.11750	1.8
125.05993	1.7
125.09625	7.9
127.07626	1.8
129.07031	2.3
131.04976	2.1
131.08566	3.8
135.04369	3.2
135.08072	2.0
137.05974	16.9
137.09581	2.5
139.03925	5.2
139.07562	11.2
145.06551	2.5
147.08086	5.6
149.09625	4.2
151.07535	8.4
153.09158	2.1
155.07030	6.2
159.08116	1.8
161.13385	2.2
163.07610	1.7
165.05544	2.9
165.09125	11.6
167.07018	9.7
167.10693	3.5
169.08682	3.5
173.05969	2.1
177.09146	4.4
179.07091	2.2
189.68829	1.5
193.08667	1.9
195.06496	2.3
195.10162	22.8
201.05458	3.5
211.09660	43.6
213.07611	3.0
213.11201	2.8
229.04951	7.7
229.10753	6.1
229.43468	1.8
239.09145	18.6
239.16393	1.7
240.45093	1.4
245.34064	1.5
257.04471	20.4
257.10202	4.2
257.17419	2.2
265.09744	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	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89118	2.1
60.05648	9.5
70.06596	52.0
70.65785	4.5
70.66113	2.6
83.00977	5.7
84.08135	6.7
97.07645	14.9
101.00869	3.3
101.02011	4.6
106.20772	2.5
108.64639	2.4
110.07171	10.9
112.03602	8.3
118.04682	3.0
119.01928	5.6
127.11739	2.6
130.04651	2.4
130.87390	2.3
142.08266	5.7
152.06697	4.6
154.08325	5.1
155.06674	5.3
156.05124	4.1
156.07816	3.2
169.09373	16.1
170.06622	6.3
171.10904	21.8
172.09326	8.9
173.07687	15.8
178.99677	2.4
187.10400	9.5
189.11981	21.4
190.12146	2.9
197.07693	92.2
198.01021	2.9
198.06111	7.4
198.07872	5.4
215.08606	100.0
216.07156	7.0
216.08887	3.9
233.10963	15.7
238.10284	2.9
239.09886	51.8
257.10928	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49648	1.9
55.17269	2.1
57.10592	1.8
60.05645	8.4
69.74271	7.9
70.06600	54.2
83.00960	6.1
83.06107	2.2
84.08148	4.0
93.31880	2.0
97.07668	14.5
98.13400	1.9
101.01997	6.3
105.60677	2.3
110.07153	9.6
112.03591	6.4
118.04645	4.6
119.01912	6.1
140.06770	2.9
142.08357	3.6
142.53384	2.0
144.04961	2.9
152.06664	2.3
154.08257	2.4
155.06625	6.5
156.05125	3.7
156.07841	2.6
157.10870	2.8
160.09296	2.8
168.06248	3.3
169.09375	13.5
170.06641	5.5
171.06085	2.4
171.10951	22.4
172.09314	6.3
173.07727	15.7
178.99860	3.2
179.99939	5.0
187.10463	11.6
188.07628	2.4
189.11958	19.1
192.93398	2.2
195.96664	2.3
197.07686	100.0
198.06110	7.5
198.07751	3.5
215.08632	96.8
216.08688	5.1
233.11008	12.8
238.10385	3.2
239.09843	45.6
257.10886	30.5
258.11075	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	257.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47762	0.6
56.96549	0.8
60.05653	5.1
62.51506	0.8
69.08772	6.6
70.06598	57.5
72.08160	0.8
82.99863	0.9
83.00980	6.5
86.23305	0.7
95.14732	0.8
97.07659	14.7
98.06041	0.8
101.00889	2.0
101.02017	4.9
104.10754	0.9
111.92870	0.7
112.03629	8.6
112.08693	1.8
114.05093	0.8
116.05573	1.3
118.04649	3.5
119.01928	3.8
126.04012	0.8
127.37239	0.8
127.38379	0.7
128.05650	1.1
130.03583	1.0
130.04625	4.3
132.06187	1.9
137.05623	0.9
138.04073	1.0
140.06712	1.9
142.08298	5.4
144.05066	1.9
152.05536	1.3
152.06697	3.7
153.01793	1.2
153.05078	1.2
154.02081	1.5
154.08269	2.9
155.06670	7.6
156.05016	1.6
157.10861	1.9
158.07755	1.3
160.05661	1.2
160.09319	4.1
162.06128	0.9
168.06197	2.2
169.09346	13.7
170.06633	7.3
170.07855	1.5
171.06116	1.9
171.10915	20.7
172.09325	6.1
172.10896	1.6
173.07726	14.1
179.06662	3.3
180.05043	2.1
180.06444	1.1
186.07353	1.0
187.05641	1.4
187.10400	8.2
188.07735	1.4
189.11978	18.4
197.07703	100.0
198.04701	2.7
198.06256	6.3
198.07826	3.2
215.08597	94.6
216.07129	4.0
216.08911	4.5
221.08842	1.1
233.01364	1.0
233.10960	12.3
236.36310	0.8
238.10287	1.4
239.09903	44.5
240.10114	2.4
257.10968	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36497	1.0
60.05651	5.9
61.99383	1.1
70.06599	61.8
71.37027	1.7
72.08156	1.2
83.00965	5.8
84.04506	2.5
84.08154	8.7
86.57414	1.2
97.07666	14.2
98.04535	1.8
98.06009	1.2
98.97620	2.5
101.00876	1.8
101.02004	4.9
104.10728	3.3
105.93711	1.2
106.94996	1.4
112.03608	7.3
112.08740	2.4
113.02009	1.2
116.05595	1.9
118.04657	4.7
119.01953	2.2
126.03889	1.3
128.05592	2.5
129.10275	5.7
130.03551	1.2
130.04666	4.2
132.06177	1.4
140.06659	2.4
142.00458	1.2
142.08278	6.7
152.06735	4.2
154.08244	2.8
155.06673	8.0
156.05103	2.1
157.10883	3.4
158.07826	1.7
160.09358	4.6
162.06073	1.7
164.51509	1.1
168.06262	3.3
169.09384	16.6
170.06607	7.9
170.07780	2.1
171.06146	2.8
171.10919	24.7
172.09331	6.4
172.10796	1.7
173.07739	13.7
178.12077	1.2
179.06664	3.1
180.05078	2.3
180.57832	1.1
186.07445	1.6
187.05722	2.2
187.10446	9.0
189.11990	25.0
197.07695	100.0
198.04608	2.0
198.06123	6.4
198.07727	4.2
205.32744	1.5
215.08568	95.1
216.07137	4.1
216.08690	4.6
233.10966	17.3
238.10338	1.6
239.09911	50.4
257.10962	35.3
258.11105	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	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05501	0.7
56.96555	1.2
65.03640	0.8
65.03938	5.9
67.05481	2.4
69.07052	0.9
79.05501	1.1
81.07066	1.2
82.02927	1.2
91.05476	2.3
92.05008	6.1
93.05771	0.6
93.07032	0.7
94.06561	2.6
95.04966	1.3
95.08614	1.2
98.97588	6.8
103.05497	0.7
105.07040	1.4
106.06568	0.6
106.72385	0.6
108.08052	0.6
109.10145	0.8
110.06019	1.2
115.05508	0.8
116.98595	5.7
117.07050	0.9
119.08559	1.0
120.04498	3.7
122.06029	3.7
128.06256	0.9
129.07054	1.4
130.06473	1.1
131.07269	1.3
132.08080	1.7
134.99666	2.3
135.06789	1.0
136.07574	1.3
142.06519	0.7
142.07758	1.2
143.07356	1.0
144.08070	2.4
145.06535	0.8
145.08878	1.4
145.10103	1.3
146.05983	1.0
146.09683	0.8
152.10091	0.6
154.06494	2.1
155.07344	1.0
156.08081	2.0
157.07591	0.9
157.10136	1.4
158.05988	0.9
158.08382	0.9
158.09634	1.2
159.09229	1.5
159.11650	1.0
160.07587	2.7
160.11270	0.8
167.08568	1.2
168.08163	3.2
169.08931	4.5
169.10155	1.2
170.06093	0.8
170.09639	1.1
171.09164	1.9
171.10442	1.4
172.07599	2.3
172.09959	4.0
173.10762	1.1
174.09158	1.7
176.10646	0.9
182.05983	1.2
183.09221	1.4
184.07655	3.0
184.11221	8.5
185.07066	1.6
185.10701	5.6
186.09128	1.0
186.09692	0.7
186.11482	12.5
187.08662	5.3
188.10741	0.7
194.09691	1.0
196.07622	1.7
196.09833	1.0
197.08371	5.9
198.09106	1.4
199.08559	5.5
200.09407	10.6
200.10889	1.0
200.13069	0.9
201.10297	4.1
201.12001	1.3
201.13867	15.8
202.12245	0.6
211.08691	2.8
211.12242	0.9
212.10709	12.1
213.06612	7.8
213.10173	8.1
214.07335	1.6
214.10721	7.2
227.08115	6.5
228.08925	12.2
229.09833	20.4
229.13345	60.5
230.11769	1.3
230.13774	1.8
239.11815	1.1
240.10173	2.9
241.09735	9.5
242.10484	12.0
243.10706	0.6
257.12857	100.0
257.18842	2.8
258.13132	3.3
258.24374	0.7
274.97595	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01859	1.6
56.32164	0.7
56.96569	1.7
57.03445	5.6
69.13484	1.6
69.13896	3.5
71.82659	0.7
75.04461	2.4
79.05482	4.6
86.06088	0.6
89.80585	0.8
91.05482	2.6
94.04195	0.9
95.04967	0.8
98.22551	1.1
98.97593	8.6
103.05460	3.3
103.34274	0.7
105.07034	35.9
107.04967	3.5
109.06532	1.5
109.40382	0.8
115.05449	1.8
116.98620	6.2
117.07034	1.3
121.06535	1.0
122.03658	5.2
124.05166	1.2
131.04982	1.0
133.06496	47.1
134.06813	1.7
134.99644	2.7
137.05981	100.0
138.00714	0.6
138.06328	2.1
163.07526	3.9
165.09116	21.8
175.07506	3.2
177.09082	1.2
181.08591	2.0
183.10127	4.1
203.03545	1.0
203.10674	1.1
203.41531	0.7
209.11682	0.9
221.11771	2.5
229.04955	2.1
239.12585	0.8
257.04431	2.9
274.97574	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	257.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
66.52906	1.3
66.60067	1.3
70.06593	64.9
70.56905	3.3
71.98884	1.3
72.08157	33.6
79.35594	1.2
86.09705	2.2
93.07072	1.5
104.10738	2.6
114.09161	14.4
116.07094	100.0
117.07392	1.4
124.03914	1.3
142.08670	4.6
257.04370	2.2
257.11887	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05515	5.9
57.07063	3.3
64.85540	0.7
67.05505	6.3
69.07079	5.1
70.06607	1.5
71.05002	4.4
71.08646	1.8
72.08162	3.7
77.03930	0.9
77.13383	0.8
79.05487	6.1
81.07060	6.0
83.04976	3.1
83.08604	2.9
85.06550	5.1
85.10168	1.0
88.07641	1.4
90.09206	3.7
91.05492	7.8
93.07041	10.3
95.04961	2.4
95.08609	9.5
97.06529	1.2
98.22569	1.8
98.97595	2.0
99.08110	1.4
105.07027	19.1
107.08588	11.1
109.06519	6.0
109.10167	6.7
111.08076	1.1
112.67620	0.8
115.05467	0.7
116.98598	1.4
117.07042	5.3
119.08584	16.7
121.06539	1.3
121.10147	34.3
121.11021	1.9
122.17490	0.8
123.08090	3.7
123.11709	1.6
128.06233	2.1
129.07037	5.6
129.07843	1.2
130.07811	2.1
131.08572	11.7
133.07558	1.1
133.10135	9.2
135.08052	7.8
135.11691	2.3
137.09631	5.5
141.06996	2.3
142.07776	7.6
143.08566	18.1
144.09338	3.9
145.09010	1.3
145.10121	17.1
147.11713	4.8
149.09610	3.4
151.11168	2.0
153.06944	2.2
153.43950	0.9
154.07838	1.1
155.08519	5.3
156.09323	6.0
157.10136	25.4
158.10921	5.8
159.08049	2.4
159.11705	28.7
161.09599	2.6
161.13300	1.2
163.11211	4.6
167.08484	1.2
168.09357	3.1
169.10138	8.0
170.10931	1.8
171.11682	14.3
172.08885	1.4
172.12376	1.0
173.09636	3.5
173.13268	28.1
174.13986	3.2
175.11214	3.7
175.14838	3.1
177.12747	1.5
181.10112	1.9
182.10915	1.6
183.11699	12.6
184.12495	3.1
185.13234	3.1
187.11195	7.4
187.14809	4.5
188.11945	1.2
189.12726	2.3
195.11711	1.9
196.12512	1.8
197.13263	10.1
198.14052	1.3
199.14816	30.7
200.15324	1.3
201.12762	10.1
207.86664	0.8
209.13286	1.2
210.13893	1.0
211.14822	1.9
213.12878	0.9
213.16385	12.0
214.17130	3.4
215.14294	3.0
215.17953	8.3
224.15602	1.2
227.14400	0.9
227.83574	0.8
229.19577	1.2
239.17961	14.0
242.16586	1.1
257.19003	100.0
257.26593	10.9
258.19336	3.6
258.27936	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	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
52.64222	0.9
55.05519	5.9
57.07074	3.3
67.05519	7.7
69.03428	1.2
69.07083	6.0
69.60638	3.8
71.05007	4.9
72.08150	6.4
79.05499	5.3
81.07066	7.2
83.04971	2.9
83.08621	3.2
85.06557	5.0
90.09186	3.6
91.05484	7.7
93.07050	9.0
95.04959	4.5
95.08612	13.2
97.06523	1.6
98.97602	4.4
99.08064	1.4
105.07027	15.6
107.08607	13.4
109.06532	6.4
109.10168	9.4
111.08073	1.9
115.05476	1.7
116.98631	5.0
117.07003	6.1
119.08596	17.6
121.10157	20.6
123.08059	2.6
123.11671	1.7
128.06212	2.3
129.07002	6.1
130.07787	1.2
130.93359	1.0
131.08575	19.6
133.10129	12.7
134.71606	1.2
135.08055	4.4
135.11705	4.0
137.09631	4.2
141.06995	2.5
142.07800	8.2
143.08575	15.9
144.09369	4.0
145.10126	26.4
147.08064	1.6
147.11685	4.0
149.09587	1.9
151.11153	1.9
153.06902	1.1
154.07756	1.3
154.48747	1.0
155.08571	5.9
156.09381	5.2
157.10123	27.9
158.10919	5.7
159.08084	2.4
159.11699	33.0
160.12366	1.4
161.09654	3.6
161.13309	2.3
163.11169	3.7
167.08578	1.6
168.09375	3.1
169.10155	11.4
170.10936	2.2
171.11713	16.8
172.08890	1.4
173.09628	4.3
173.13268	34.9
174.14052	5.8
175.11215	4.3
175.14847	3.5
177.12779	1.5
181.10063	1.8
182.10945	2.9
183.11685	15.3
184.12466	4.8
185.13274	5.2
187.11192	8.8
187.14806	4.5
189.12804	2.8
195.11703	2.1
196.12421	1.2
197.13284	9.7
198.13872	2.4
199.14830	25.9
200.15352	1.3
201.12779	8.6
209.13264	2.4
210.14095	2.3
211.14774	1.6
213.16397	11.8
214.17125	4.3
215.14377	4.2
215.17952	11.6
224.15594	2.3
239.18004	17.0
240.09543	1.1
257.19009	100.0
257.26440	4.7
258.19330	3.8
258.27927	22.2
274.97620	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.17446	1.4
53.03940	1.5
55.05501	5.7
57.07065	3.2
67.05510	10.2
69.07076	5.7
71.04993	3.5
72.08147	4.4
79.05486	5.9
81.07064	9.2
83.04984	2.0
83.08618	2.8
85.06538	4.9
90.09207	3.3
91.05473	10.8
93.07037	8.4
95.04984	3.7
95.08616	15.2
97.06559	2.8
98.97588	10.4
105.07041	12.5
107.08614	11.0
109.06540	3.2
109.10162	6.2
111.08077	1.7
116.98661	10.5
117.07025	11.7
119.08583	15.2
121.10139	16.5
128.06190	3.8
129.07013	7.8
131.08575	23.3
133.06584	1.6
133.10126	10.4
134.99664	5.3
135.08070	6.4
135.11699	3.2
137.09605	4.8
141.07002	2.8
142.07744	5.3
143.08575	13.5
144.09302	4.8
145.10136	28.5
147.08066	1.9
147.11668	6.6
149.09633	2.5
155.08559	7.1
156.09300	3.5
157.10136	21.0
158.10898	3.7
159.08075	3.9
159.11690	23.2
161.09641	3.9
161.13283	2.9
163.11183	2.4
167.08591	2.1
168.09293	2.7
169.10129	11.5
170.10843	2.6
171.11668	12.1
173.09599	3.5
173.13263	25.1
174.14041	2.9
175.11197	4.4
177.12665	2.1
182.10976	2.0
182.53532	1.7
183.11684	14.2
184.12531	2.9
185.13257	4.8
187.11226	8.1
187.14832	3.1
189.12743	1.9
197.13235	14.1
198.13884	2.2
199.14836	18.4
201.12753	7.3
213.16420	9.4
214.17184	2.0
215.14360	4.2
215.17914	8.1
239.17963	16.1
240.09605	3.0
242.10660	2.1
257.13174	3.0
257.19016	100.0
257.26678	8.7
258.19339	4.1
258.27905	22.3
274.97412	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03963	0.6
55.01859	1.6
55.05517	3.1
56.96547	0.9
57.03425	0.9
57.07062	1.4
59.04997	4.1
60.08184	0.4
67.05508	6.8
69.03445	0.9
69.06734	0.5
69.07069	6.0
70.64968	0.9
71.04990	1.1
79.05498	7.0
81.06598	0.7
81.07060	13.4
83.04988	4.4
83.08629	2.0
85.06555	2.4
91.05482	7.7
93.07046	12.7
94.04170	0.4
95.04967	7.2
95.08611	13.8
97.06539	9.9
97.10164	0.8
97.36373	0.4
98.97590	5.9
99.08112	0.5
103.05436	0.8
105.04573	0.5
105.07038	16.8
106.07380	0.6
107.04929	1.2
107.08596	11.5
109.06522	8.6
109.10156	5.9
111.08073	1.6
116.98622	4.1
117.07021	5.0
119.08582	17.2
119.09869	0.7
121.06516	3.0
121.10142	6.8
123.08077	1.7
123.11730	2.1
128.06232	1.7
129.07011	4.4
130.07768	1.3
131.08572	12.9
133.06488	0.9
133.10129	12.1
134.99644	2.4
135.08022	3.1
135.11694	3.2
137.09641	0.7
141.06992	3.2
142.07805	3.3
143.08562	10.1
144.09296	1.7
145.06477	0.8
145.10127	19.2
147.08014	1.8
147.11694	9.8
149.09599	2.5
149.13254	4.8
151.11172	0.6
153.01842	0.7
153.07005	1.1
154.07732	0.9
155.08551	7.9
156.09377	2.1
157.10133	14.7
158.10945	2.5
159.08151	2.2
159.11691	22.2
160.12344	0.9
161.09653	3.0
161.13260	25.0
162.13695	0.7
163.11186	2.8
163.14835	1.8
167.08580	1.5
168.09354	3.1
169.10129	9.3
170.10901	1.1
171.11696	8.6
172.12383	0.6
173.09683	3.9
173.13263	29.6
174.13899	1.4
175.11186	4.2
175.14828	2.3
181.10115	1.9
182.10928	2.6
183.11693	19.0
184.12437	2.5
185.13222	4.7
186.10378	0.6
187.11197	3.1
187.14832	3.2
189.12752	1.2
195.11707	1.6
196.12448	1.6
197.13258	14.2
198.13963	1.7
199.14813	10.1
200.15477	0.5
201.12738	7.4
201.16385	1.9
202.13315	0.5
209.13255	2.3
210.13997	0.9
211.14822	9.8
213.16367	7.0
214.17087	1.4
215.14423	2.6
215.17931	6.8
224.15675	3.1
227.14125	0.5
229.15897	5.6
229.19450	4.4
232.96487	0.5
239.17946	63.4
240.18277	2.9
242.16600	0.6
256.96405	0.6
257.08084	1.3
257.19000	100.0
258.19360	3.7
274.97452	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	258.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.5
57.03455	0.2
58.06599	0.8
60.08166	9.7
69.71023	0.2
70.69463	0.3
70.69785	0.3
71.07381	2.4
86.09710	18.8
87.10040	0.4
98.98470	3.6
104.10748	100.0
105.11085	1.0
114.86666	0.2
125.00009	24.4
143.01154	0.3
181.02589	0.4
184.05721	0.5
184.07352	10.4
258.11041	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	258.1103
Annotation	sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct 
Peak:m/z	Relative Intensity
56.05037	0.3
57.03444	0.3
58.06568	0.9
59.07375	0.2
60.08164	8.9
64.60212	0.1
67.17220	0.1
69.90413	0.1
69.90750	0.4
71.07375	2.3
78.29154	0.1
84.08138	0.1
86.09706	17.9
87.10052	0.1
98.23305	0.1
98.98467	3.3
104.10744	100.0
105.11046	1.0
114.89301	0.2
125.00004	22.1
126.23725	0.1
143.01044	0.1
181.02600	0.3
181.96292	0.1
184.07347	10.0
185.07620	0.2
199.03650	0.3
199.16803	0.1
240.09869	0.2
258.11032	16.8
259.11526	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	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48489	0.4
54.52943	0.4
56.96564	10.8
70.80676	0.8
71.95268	3.2
72.99698	0.4
98.97585	100.0
99.97940	0.4
101.00911	0.9
116.98621	60.4
119.01933	3.2
134.99661	26.5
136.23756	0.4
137.02954	0.8
137.30382	0.4
140.00247	1.0
153.00708	2.7
158.01239	0.6
160.99644	0.5
161.28407	0.4
177.00983	1.5
178.01100	0.6
179.00705	2.4
192.94908	0.7
201.01028	0.5
205.02274	2.7
210.95847	2.1
216.98853	0.5
219.02016	5.6
220.02101	1.6
221.01906	0.6
234.95995	0.9
234.99738	0.5
236.98613	5.9
240.98627	3.3
243.02112	0.4
252.96890	2.2
253.61815	0.4
258.99756	47.4
260.00000	2.4
260.04797	0.8
261.03052	1.6
267.95782	0.6
277.00803	59.6
277.03998	2.1
277.98163	0.4
278.00952	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	259.0601
Annotation	Alternariol
Peak:m/z	Relative Intensity
53.03962	0.3
55.01871	1.6
55.05488	0.2
56.05034	1.2
57.30239	0.2
58.99586	0.3
63.02405	0.2
63.93965	0.2
65.03939	3.5
66.43442	0.2
68.05031	0.3
68.99787	4.2
70.06592	0.9
72.85073	0.2
76.00689	0.2
76.02206	0.2
79.05497	0.4
81.03406	0.4
81.07058	0.4
84.08150	0.3
85.01109	0.4
86.00671	0.3
86.09695	0.4
87.02666	0.3
88.02183	0.2
88.77969	0.2
91.05489	0.6
91.37414	0.2
93.03408	0.3
94.06562	0.2
95.01334	0.2
96.08166	0.2
97.01097	0.2
97.02863	0.3
98.09702	1.7
98.23450	0.3
102.05537	0.3
103.05444	0.2
105.03298	0.2
105.07030	0.9
107.04961	1.3
107.08627	0.3
108.08141	0.2
109.02892	0.4
110.03656	0.2
110.09689	0.5
110.15002	0.2
111.04439	0.8
111.19570	0.2
112.03951	0.2
113.04234	0.8
115.05437	1.1
116.01674	0.7
117.07008	0.8
119.08570	0.3
121.02868	21.1
122.03222	0.2
122.09702	0.2
123.04430	5.2
126.98713	0.2
128.06233	1.4
128.07057	0.3
129.07011	3.3
131.04831	0.3
132.05701	0.2
133.06470	0.9
135.04431	0.4
136.89743	0.2
137.02316	1.5
139.05435	1.8
141.06975	0.4
143.02689	0.2
143.04913	0.5
145.06485	1.0
147.04413	2.0
147.08051	0.7
149.02344	100.0
150.02673	2.4
155.06013	0.5
156.08400	1.1
156.10208	1.1
157.06496	9.8
160.05225	0.6
161.06017	1.6
163.03928	1.6
163.07552	0.6
167.03426	1.3
167.04903	1.1
171.04439	0.8
174.06593	0.2
175.03841	0.3
175.07562	2.7
176.08075	0.2
184.05206	0.6
185.05983	17.0
186.06371	0.6
189.05486	0.9
195.05544	0.8
203.07021	1.3
213.05463	18.4
214.05841	0.6
216.06786	0.2
231.06525	76.6
232.06837	2.8
241.04900	1.1
242.05627	0.3
259.06021	57.8
259.10950	2.1
260.06372	2.3
283.19925	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	259.0601
Annotation	Alternariol
Peak:m/z	Relative Intensity
55.01869	1.5
55.05500	0.2
56.05040	1.5
58.99575	0.5
65.03941	3.4
68.05017	0.2
68.99788	3.2
69.00141	0.3
69.03435	0.3
69.07075	0.4
70.02955	0.2
70.06591	1.1
79.05496	0.5
80.05014	0.2
81.03428	0.6
81.07049	0.5
84.04502	0.5
84.08162	0.3
85.01125	0.5
86.00641	0.6
86.06069	0.3
86.09705	0.4
86.24316	0.2
91.05490	0.4
93.07038	0.2
93.92711	0.2
94.06543	0.2
95.04984	0.2
96.08127	0.2
97.02867	0.3
98.09691	2.4
102.05520	0.4
105.07013	0.7
107.04969	0.9
107.08671	0.2
108.08088	0.2
109.02886	0.5
110.09671	0.5
111.04464	0.6
112.03959	0.3
113.04253	0.9
114.03783	0.2
114.09191	0.2
115.05447	1.1
116.01688	0.7
117.07020	0.6
119.04964	0.2
119.08548	0.2
121.02868	20.1
122.03220	0.3
123.04434	5.2
128.06230	1.2
129.05554	0.2
129.07004	3.0
130.04956	0.2
131.04893	0.2
133.06483	0.8
135.04425	0.5
135.08119	0.2
137.02342	1.3
139.05432	2.2
141.06999	0.5
143.04886	0.5
144.01198	0.2
145.02858	0.3
145.06503	1.2
147.04395	1.9
147.08005	0.6
149.02341	100.0
150.02675	2.1
156.08427	1.5
156.10211	2.0
157.06488	9.2
158.06740	0.2
160.05249	0.9
161.05994	1.3
162.02202	0.2
163.03912	1.3
163.07579	0.6
164.40340	0.2
167.03412	1.3
167.04932	1.0
168.05737	0.3
168.31351	0.2
171.04425	0.6
175.03947	0.3
175.07529	2.8
184.05159	0.5
185.05972	15.6
186.06436	0.5
189.05383	1.0
195.05647	0.9
203.07024	1.7
212.04707	0.2
213.05461	17.1
214.05840	0.8
214.14415	0.2
216.06967	0.3
231.06520	78.7
232.06859	2.9
239.00406	0.2
241.04897	1.8
242.05571	0.2
259.06015	58.7
259.11023	2.4
260.06360	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	259.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53809	0.2
54.51707	0.2
55.01874	0.5
55.05510	0.3
57.41540	0.3
58.94785	0.2
65.03941	0.5
66.62525	0.3
68.99805	0.5
69.03423	0.5
69.07043	0.3
69.65520	0.7
69.65923	0.8
81.03416	0.5
87.00856	1.5
91.05484	0.6
97.02875	0.6
98.97600	0.5
103.18410	0.3
105.03347	0.4
105.07010	0.4
110.95570	0.2
115.05459	0.3
116.98634	0.6
118.06561	2.3
118.84628	0.2
121.02877	1.6
121.06522	0.3
123.04468	0.6
128.04971	2.3
128.06224	0.4
129.06995	0.4
130.06509	0.8
132.04430	0.3
134.99670	0.3
139.05379	0.4
145.07613	3.1
146.06032	4.1
147.08032	0.3
149.02354	8.9
151.32497	0.3
155.06055	1.1
156.04449	37.8
157.04800	1.0
157.06480	0.9
161.06038	0.8
163.03970	0.3
170.06006	0.6
171.05585	0.5
172.03966	0.3
172.06219	0.3
173.07120	100.0
174.05589	1.5
174.07455	1.8
175.07536	1.0
185.06023	2.2
189.05353	0.4
199.05072	3.7
203.07001	0.5
205.95547	0.3
213.05400	2.2
215.08238	0.7
216.04172	0.3
229.04860	0.4
231.06538	6.3
241.06091	0.8
258.99835	0.4
259.06763	4.4
259.09772	0.7
259.13232	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	259.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
57.03444	19.3
59.05005	3.4
60.93175	2.9
69.03434	96.3
69.41653	11.2
69.42061	5.3
73.02946	4.0
79.05518	4.5
81.03426	17.0
81.62428	2.6
84.85722	2.8
85.02914	45.1
85.14504	3.2
87.04474	35.4
87.04980	4.0
88.36785	2.8
91.05507	5.5
95.04984	5.0
97.02900	100.0
98.22659	4.1
99.04475	12.1
109.02914	4.0
111.04485	4.5
115.03944	35.2
123.04455	9.6
127.03932	9.7
133.04947	27.3
135.04503	3.4
143.03386	3.4
151.03951	4.8
156.04416	3.1
159.11325	2.6
169.04956	7.1
173.07158	10.7
241.09599	4.6
259.02335	5.6
259.08139	9.4
270.27695	3.1
274.87943	3.6
283.95581	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
53.67624	1.8
55.01880	7.8
55.05506	6.7
56.05037	39.6
57.03437	19.6
58.99587	17.6
59.04980	3.7
60.04509	1.7
61.01149	2.2
61.13141	1.4
67.05490	4.3
68.05025	6.5
69.03431	84.0
69.05788	1.8
69.17084	11.3
70.02938	6.9
70.06586	2.5
70.99567	4.0
71.01347	2.3
71.04989	2.0
73.01115	3.3
73.02906	2.7
74.00653	1.6
74.02438	3.4
76.02231	2.2
76.03988	3.7
79.05486	13.7
80.05003	6.5
81.03412	15.6
81.05788	1.9
81.07049	7.4
82.06564	2.2
83.04974	4.2
83.08588	1.8
84.04503	9.4
84.08154	2.0
85.01135	21.4
85.02905	37.2
85.06508	1.8
86.00648	11.4
86.99059	8.3
87.02703	9.8
87.04463	34.4
88.02214	5.3
91.05470	4.9
93.07051	5.4
94.06546	6.8
95.04958	2.9
96.08127	5.3
97.01100	5.1
97.02895	78.4
97.08950	1.5
98.09694	62.6
99.04467	8.8
100.11261	1.6
102.05551	17.7
103.05434	2.0
105.07027	3.9
107.04974	2.4
108.08109	5.2
109.02832	3.5
109.10117	2.1
110.09684	12.7
110.10335	2.3
111.04435	3.8
112.03971	10.6
113.04233	30.0
114.03741	2.3
115.03934	36.5
115.05734	1.7
116.01691	28.4
122.09673	7.0
123.04407	4.3
123.66525	1.7
125.02340	2.5
127.03909	7.9
130.05003	7.6
130.06898	7.3
130.08629	6.6
133.04979	18.7
135.04375	2.0
139.03934	1.8
143.02625	2.8
144.01155	6.4
145.04996	3.4
145.06026	3.7
149.02426	1.7
151.03850	3.7
156.08412	45.1
156.10194	55.0
162.02176	10.3
169.04999	4.0
175.03767	1.9
185.02263	1.7
188.03671	2.2
189.03288	3.5
193.68692	1.7
213.01740	3.7
213.06596	3.5
213.10551	2.9
216.06914	19.1
231.02837	8.9
238.61839	1.8
241.01289	3.4
241.07135	2.7
242.08528	3.8
259.02405	18.8
259.08057	9.0
259.11096	100.0
261.73227	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	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01875	6.5
55.05511	3.6
57.03442	15.7
57.45234	2.9
65.03941	4.4
67.05497	2.9
69.03429	100.0
71.05009	3.4
71.29835	3.0
73.99372	2.7
79.05501	5.8
81.03413	20.4
84.08150	3.6
85.02912	32.3
86.09734	4.6
87.04456	24.0
91.05505	4.4
95.05020	4.3
97.02895	82.8
97.06551	7.1
99.04459	14.9
109.02887	3.1
111.04436	5.1
115.03934	23.8
123.04458	5.5
127.03928	10.2
133.04999	16.1
135.04384	4.0
139.03920	3.4
145.04951	4.8
145.10156	3.7
151.04012	4.0
153.01787	4.5
163.03908	3.5
169.04999	5.3
173.02261	3.3
194.37801	3.1
230.05367	3.8
242.73276	3.1
259.05939	30.0
259.08249	11.9
275.48303	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	259.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
57.03444	19.3
59.05005	3.4
60.93175	2.9
69.03434	96.3
69.41653	11.2
69.42061	5.3
73.02946	4.0
79.05518	4.5
81.03426	17.0
81.62428	2.6
84.85722	2.8
85.02914	45.1
85.14504	3.2
87.04474	35.4
87.04980	4.0
88.36785	2.8
91.05507	5.5
95.04984	5.0
97.02900	100.0
98.22659	4.1
99.04475	12.1
109.02914	4.0
111.04485	4.5
115.03944	35.2
123.04455	9.6
127.03932	9.7
133.04947	27.3
135.04503	3.4
143.03386	3.4
151.03951	4.8
156.04416	3.1
159.11325	2.6
169.04956	7.1
173.07158	10.7
241.09599	4.6
259.02335	5.6
259.08139	9.4
270.27695	3.1
274.87943	3.6
283.95581	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
55.01877	2.5
55.05520	4.2
57.03439	11.6
61.02927	2.0
67.05515	4.6
68.61614	1.4
69.03434	100.0
69.07088	2.2
70.14649	4.5
71.05001	5.3
73.02931	4.0
79.05505	6.5
81.03424	16.6
81.07069	5.7
83.05000	3.5
85.01140	3.3
85.02903	24.5
87.04470	11.8
91.05480	2.2
93.07069	5.1
95.04974	3.7
95.08618	3.4
97.02898	94.6
97.06579	4.4
98.97581	2.4
99.04467	11.9
105.07040	5.6
107.04986	2.1
107.08581	3.7
109.02884	6.3
109.10153	2.8
111.04469	4.6
113.02367	2.0
113.04243	2.7
115.03938	15.3
117.07018	3.2
119.08604	5.5
121.06521	2.4
121.10162	2.1
123.04459	4.9
125.02395	1.6
127.03922	12.6
127.07820	1.5
128.06296	1.6
130.05022	2.3
131.08571	3.2
133.05009	6.7
133.10208	2.9
134.99884	1.6
142.07809	1.5
143.03421	1.6
143.08591	4.2
145.04971	4.9
145.10112	3.9
147.04327	2.1
149.06023	1.8
150.86774	1.6
151.03888	1.5
156.08372	3.3
157.10164	5.2
159.11774	3.0
161.09654	1.6
163.03917	2.3
165.05499	2.6
169.05031	4.2
171.11714	6.5
173.02385	2.5
173.13310	2.6
177.05528	1.6
185.13264	4.1
193.04944	1.7
199.14867	2.8
211.06056	2.5
215.06999	1.6
223.06006	1.5
225.57033	1.8
241.07080	3.5
241.19560	5.3
259.08139	5.5
259.10773	2.0
259.13391	2.9
259.17032	2.9
259.20636	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	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	4.2
55.05510	6.1
56.05037	45.7
57.98798	0.9
58.99300	1.0
58.99589	16.4
60.04533	1.6
61.01147	2.5
67.05528	0.8
68.05029	7.3
69.03437	0.8
69.05840	0.7
69.07058	0.8
69.21202	3.8
70.02954	8.0
70.06597	1.4
70.99590	4.8
73.01137	3.0
74.00670	2.3
74.02441	2.6
76.02219	2.3
76.04011	6.1
79.05495	12.4
80.05021	6.6
81.05799	3.0
81.07053	7.6
82.06568	3.7
83.08614	1.6
84.04502	6.8
84.08132	2.6
85.01132	23.1
86.00659	14.2
86.99055	7.4
87.02690	7.8
88.02228	5.6
88.03993	1.8
91.05475	1.6
93.05804	1.4
93.07065	2.2
94.06571	5.9
95.04949	0.7
95.07360	1.6
95.08599	2.0
96.08144	8.6
97.01117	6.0
97.08884	0.7
98.09693	78.2
99.05584	1.5
100.02190	1.6
100.11217	1.5
102.03735	1.1
102.05547	14.3
102.06239	0.7
105.07034	2.3
107.07343	1.0
108.08116	5.9
109.08894	2.5
110.09686	16.6
111.02650	0.9
112.03980	8.8
113.04233	31.8
114.03761	2.8
114.05518	2.1
114.31229	0.8
115.05791	1.3
116.01678	28.1
116.03414	1.1
122.09671	8.0
123.10460	2.0
129.03477	0.7
130.05017	8.2
130.06874	7.9
130.08640	5.5
132.01221	0.9
139.05733	2.2
142.80544	0.7
143.02776	3.5
144.01167	5.1
145.06076	4.8
156.08426	54.5
156.10204	65.7
157.10579	1.0
162.02202	8.0
171.02112	0.9
177.03133	0.9
184.07973	1.0
185.02327	0.8
188.03804	2.6
189.03300	4.2
189.97482	0.7
193.58957	0.7
203.03447	1.0
213.10602	1.4
216.06912	15.3
231.02937	2.6
241.01314	1.1
242.08501	3.7
259.02405	4.3
259.11127	100.0
260.11447	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	259.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
55.05515	18.8
57.07074	1.0
59.04998	2.3
65.03941	2.3
66.07451	1.2
67.05511	18.4
69.03427	1.4
69.07064	5.5
70.06591	10.0
71.04996	37.7
72.08164	2.5
74.02451	11.9
74.06082	5.1
75.81941	1.0
83.04983	100.0
83.06060	5.7
84.04500	21.8
84.05316	1.7
84.08148	4.6
85.02916	2.5
85.06534	5.9
86.09703	7.3
91.13472	1.1
93.07060	1.4
95.04976	18.3
99.04456	2.6
101.06020	11.5
104.10752	2.1
105.07104	1.1
105.11076	2.1
111.04448	58.4
113.06006	58.5
114.06335	1.7
116.07093	14.0
119.04890	1.1
123.04481	1.4
129.05481	14.0
130.05009	5.3
130.08629	8.8
131.07048	5.8
132.10236	3.2
141.05621	1.2
144.06578	2.7
153.05405	1.9
171.06549	1.8
196.09595	2.2
197.12895	2.5
199.09714	1.5
216.94310	1.3
227.39244	1.1
231.02951	2.1
231.06464	1.9
242.15039	5.1
243.13469	2.3
259.02496	5.8
259.13013	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	259.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70606	0.5
53.03954	0.8
53.24200	0.6
55.05512	1.1
55.77825	0.7
60.19331	0.5
67.05506	1.5
69.03416	1.0
69.07076	0.8
69.84320	0.6
70.06578	0.6
70.29332	0.5
71.04992	0.9
79.05476	1.7
79.05977	0.5
81.03427	1.0
81.07076	0.9
83.04988	0.9
83.66689	0.6
88.07600	0.6
91.05486	2.7
93.07046	2.0
94.43848	0.6
95.04974	1.4
95.08623	0.7
98.23451	1.3
99.04460	1.3
105.07021	2.1
106.08689	1.1
107.04999	0.9
107.08636	1.0
117.06993	0.9
119.04906	0.6
119.08585	2.0
121.06527	3.4
121.10105	0.7
128.06224	0.7
131.08566	2.0
135.08072	1.4
137.07561	0.5
140.18214	0.6
142.07828	0.8
143.08585	1.2
145.06442	1.1
145.10139	1.4
147.04399	0.9
147.08076	3.7
147.11751	0.8
149.09628	1.1
157.10143	0.9
159.08031	1.3
159.11716	0.6
161.09610	1.0
163.07588	2.1
171.11678	1.2
173.09679	1.4
177.09085	0.7
185.09657	0.8
199.11165	1.3
201.09102	0.8
213.12778	1.5
224.90358	0.6
229.11774	2.7
231.02863	0.7
241.12315	1.7
251.90039	0.6
258.73260	0.6
259.12854	100.0
259.20413	1.8
260.13260	3.5
260.25821	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	259.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
55.93546	0.8
56.05024	2.5
57.03429	1.6
59.97029	0.6
67.05473	0.9
68.99789	0.7
69.03437	0.7
69.22082	2.3
69.22485	1.0
70.06593	55.4
71.04984	0.8
72.08141	1.9
74.06082	34.0
83.04980	1.7
83.06099	0.9
84.04508	4.1
84.08141	3.9
85.06558	0.6
86.09705	3.4
91.05467	1.3
95.04980	0.7
97.02869	0.9
97.06491	0.7
98.06057	1.2
98.23405	1.3
98.97580	0.9
101.05989	0.7
104.10748	1.7
105.11072	2.0
111.04440	1.0
113.06015	3.0
116.07093	100.0
116.36347	0.6
121.02863	0.7
125.00000	0.8
128.08676	0.7
128.32896	0.6
129.10286	1.2
130.04979	1.5
134.73305	0.6
142.03252	1.0
143.11845	1.7
144.06590	5.3
147.04358	0.6
149.02336	3.7
157.02863	1.6
175.03912	1.1
184.07346	0.6
185.02345	0.8
185.06023	0.9
203.03436	1.5
205.08641	0.7
213.01826	1.0
213.05396	1.1
224.09297	0.6
231.02931	4.7
231.06477	3.2
241.01385	0.6
242.15051	1.2
242.18651	0.6
259.02356	6.5
259.05954	3.0
260.17056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1671
Annotation	O-1821
Peak:m/z	Relative Intensity
57.07070	1.4
65.33505	0.4
71.08628	0.4
72.08167	2.4
73.08476	0.6
80.69739	0.4
90.09197	2.0
91.05505	0.6
95.98710	0.4
105.07044	0.8
117.07027	0.5
119.08594	0.9
131.08615	0.5
133.10085	0.4
159.11745	0.7
161.13222	0.5
173.13268	0.7
174.23683	0.4
203.10539	0.5
241.19498	0.8
258.27914	3.0
259.16718	100.0
259.28284	10.8
260.17032	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	259.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07071	1.3
70.06599	4.7
71.29825	0.4
71.30154	0.4
73.12867	0.3
84.08150	0.4
85.02964	0.4
86.09711	100.0
87.10049	1.0
97.06537	0.4
101.00811	0.4
130.20987	0.3
146.11768	30.6
147.04434	0.6
147.12146	0.5
149.02350	0.9
162.07704	0.5
199.18060	2.3
213.05527	0.5
231.06433	0.5
259.06137	0.7
259.13098	0.8
259.20206	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.84758	1.3
55.05516	6.7
57.07079	1.7
65.28500	1.4
67.05509	5.8
68.97318	2.2
68.97715	9.0
69.07075	26.4
69.33796	1.1
71.04998	18.1
73.96065	1.3
79.05493	5.1
81.07065	12.5
83.04990	3.9
83.08627	6.5
85.06542	19.1
91.05482	6.6
93.07056	12.8
95.04975	2.7
95.08611	15.1
97.06530	3.0
98.23464	2.9
105.07043	20.4
107.08603	16.0
109.06521	6.5
109.10171	10.8
111.08086	5.3
115.05588	1.3
117.07033	4.7
119.08589	37.7
120.09374	1.8
121.10162	10.9
123.08067	2.8
123.11721	20.2
128.06248	1.7
129.07013	2.1
130.07822	3.1
131.08586	13.5
132.09349	2.4
133.10143	27.5
135.08061	8.5
135.11684	6.5
137.09648	3.0
142.07802	2.2
143.08562	5.3
144.09377	1.7
145.10143	24.1
147.07996	2.2
147.11705	16.6
149.09616	2.6
149.13272	1.8
156.09358	2.9
157.10153	9.8
159.11705	27.2
160.12527	2.0
161.09639	2.5
161.13269	23.4
170.10933	2.0
171.11714	14.4
173.13269	8.3
175.11244	3.0
175.14839	71.4
176.15414	4.5
177.12700	1.8
177.16364	2.7
185.13297	15.0
187.14890	2.8
189.12711	5.8
189.16403	4.7
190.13512	2.3
191.14279	2.2
192.60579	1.5
199.14792	3.2
201.16412	24.0
203.14375	8.5
213.16289	1.8
215.17996	4.7
217.19598	3.1
241.19568	14.9
259.20596	100.0
260.21008	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	259.2058
Annotation	Traseolide
Peak:m/z	Relative Intensity
55.05502	7.9
57.07080	10.2
58.78595	5.0
60.56007	5.3
61.82647	6.2
63.18518	4.7
67.05485	13.9
68.99797	8.2
69.07066	33.1
71.04991	24.6
79.05489	6.5
81.07050	16.2
83.08589	7.1
85.06541	14.3
86.94305	5.6
91.05462	16.7
93.07050	17.6
95.08599	18.7
97.06519	8.4
105.07026	31.7
107.08600	22.8
109.10175	8.2
111.08061	8.1
119.08595	41.6
121.10148	11.2
123.11730	18.5
129.01866	27.0
129.06958	8.5
130.53484	5.1
131.08582	14.8
133.10135	30.3
135.08037	11.5
143.08589	8.1
144.09274	5.8
145.10161	34.6
147.11664	23.3
157.10085	9.1
159.11722	23.0
161.13245	27.3
171.11676	16.3
173.13220	7.7
175.14819	65.3
177.12733	6.9
185.13274	11.3
189.12636	6.3
189.16389	8.3
201.16403	14.2
203.14514	8.0
211.18771	5.5
215.18013	5.9
241.19557	15.8
259.20557	100.0
275.07526	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.01211	0.9
53.03949	2.0
55.01875	3.3
55.05515	14.4
57.07078	6.9
67.05511	22.9
69.07074	10.6
71.05001	1.3
71.08628	3.3
79.05498	20.4
81.03438	1.8
81.07066	21.0
83.08611	5.1
85.06549	2.0
91.05486	36.4
93.07048	22.5
95.04986	2.4
95.08614	18.0
97.06533	4.6
97.10179	2.3
99.08070	1.4
103.05456	1.8
105.07038	49.6
107.04961	3.1
107.08611	10.1
109.06536	1.7
109.10182	6.2
111.08106	1.5
115.05437	1.1
117.07035	14.9
119.08587	28.4
121.06513	3.6
121.10167	7.4
123.08091	2.2
128.06223	3.8
129.07022	16.2
131.08578	19.2
133.06512	4.6
133.10133	16.9
135.08067	3.8
135.11703	5.0
137.09637	1.3
142.07814	2.2
143.08569	19.6
145.10126	12.6
147.04427	2.4
147.08066	8.0
147.11693	20.0
149.09637	3.0
149.13232	3.9
157.10127	18.7
159.11696	9.2
161.09637	3.4
161.13274	18.6
163.11136	2.3
163.14868	1.1
171.11699	18.2
173.13280	11.0
175.11200	4.7
175.14833	9.3
177.12798	3.0
185.13272	14.7
187.14836	2.7
189.12749	12.7
189.16431	1.9
199.14833	8.2
201.16568	1.5
203.14363	3.1
213.16444	2.1
215.18051	3.4
231.21074	7.4
241.19518	27.1
245.46004	1.1
257.80563	1.1
259.20596	100.0
260.20901	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	260.1605
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05516	6.6
56.05040	8.5
57.05821	1.0
57.50249	0.9
67.05510	1.2
69.07069	2.4
70.06607	2.1
71.28996	1.3
72.08158	52.1
74.02445	1.3
81.03416	1.8
83.05002	3.0
83.06106	55.3
84.04507	100.0
84.08144	33.6
84.08624	2.1
85.04829	2.0
86.06083	1.3
86.09708	87.8
88.04015	0.9
95.04984	1.0
96.04491	1.1
98.97617	1.1
98.98471	1.1
101.07157	9.7
101.10786	1.3
112.04755	1.2
113.05986	1.6
116.07108	3.5
120.08104	1.1
129.06595	4.3
129.10240	7.8
130.05026	1.6
130.06541	3.6
130.08647	6.7
131.04935	1.5
132.10205	29.4
141.06606	1.6
143.11790	7.9
144.06558	37.4
144.10216	3.8
147.11269	7.3
157.13345	7.2
158.06001	6.3
159.04420	1.7
161.09216	31.9
161.12848	3.8
171.01147	1.8
171.11336	2.9
171.29524	1.0
172.10745	1.7
172.80833	1.1
174.07426	1.2
185.12885	1.5
192.61275	1.0
196.14485	8.9
197.12849	32.8
198.11307	1.2
217.66360	1.0
225.12334	3.5
233.04407	1.7
242.14993	61.8
243.13379	29.4
243.15608	1.5
243.17151	2.1
260.16373	6.3
260.19528	7.7
261.03818	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	261.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95376	0.8
58.06858	0.8
70.06599	1.2
71.05340	1.2
73.41293	0.7
84.08147	13.0
90.35587	0.8
98.94195	0.7
98.97579	1.4
98.98487	1.4
101.00904	4.2
106.94547	0.8
110.51604	0.8
119.01925	5.7
129.10242	3.2
130.08598	1.5
137.02902	1.1
147.11247	0.9
158.99879	1.7
159.15704	0.9
177.00957	11.3
201.00946	3.5
217.04155	2.1
218.99973	1.5
219.02019	18.9
220.02240	1.5
225.00948	2.4
243.01978	9.3
261.03067	100.0
261.15594	2.0
262.03195	6.8
279.00290	0.9
284.04752	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	261.0757
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
53.03934	1.5
55.01870	9.8
56.05029	1.8
67.01862	1.7
67.05507	1.4
68.99786	5.2
71.29161	0.8
79.05512	1.7
81.03420	2.6
83.04990	0.8
86.09699	0.9
91.05489	7.2
93.07016	1.3
95.04975	2.7
97.02872	0.8
98.09679	1.7
102.04685	0.9
102.96747	0.8
103.05476	12.4
105.03381	1.4
105.07022	2.0
107.04971	6.9
109.02897	1.3
113.05965	1.0
115.03864	0.9
115.05469	20.5
116.06255	10.0
117.03428	1.0
117.07025	16.5
118.04193	1.3
119.04926	3.8
121.02870	0.8
121.06481	1.9
123.04430	13.2
127.03911	1.6
127.05460	1.8
128.06229	2.7
129.07027	1.2
130.04132	1.7
130.06535	24.7
131.04933	27.8
131.08566	0.7
132.02956	0.7
132.04489	4.1
132.05681	1.9
133.06497	2.2
134.07266	0.7
135.04437	2.8
137.02339	1.3
139.03923	1.7
141.06987	1.5
142.04196	1.1
143.04916	3.3
144.05714	9.2
145.02831	1.7
145.06493	21.9
145.07625	1.6
146.03668	2.5
146.05992	3.2
147.04413	12.3
149.02341	2.4
149.05983	3.0
151.03917	17.3
153.01848	1.8
155.04906	3.9
155.06059	4.9
155.08580	0.8
156.10216	1.9
157.06529	1.0
157.07619	6.1
158.03851	1.5
158.06023	31.1
158.07979	1.7
159.04434	24.6
159.08043	1.4
161.05959	1.7
162.06810	1.8
163.03893	9.1
164.04738	1.3
165.01926	1.1
171.04390	7.6
171.05638	0.9
172.05206	17.6
173.02354	5.6
173.05966	16.2
173.07211	1.5
175.03911	14.3
175.07425	1.1
175.08765	1.7
176.04669	1.3
177.05476	12.0
177.09085	0.8
181.05051	0.9
183.04443	2.5
186.03116	1.6
187.03908	15.6
187.07584	1.3
188.04619	2.1
189.05489	4.7
190.06258	12.5
191.03467	5.3
191.06917	1.1
192.04039	0.8
193.04802	1.1
199.03888	4.0
200.02939	1.4
200.04692	15.9
201.05408	16.5
203.03398	20.2
203.06950	1.2
204.03929	0.9
205.04968	14.9
205.08516	5.6
206.05824	1.7
207.06551	2.0
209.04446	1.5
215.03430	16.5
215.06964	1.9
217.04945	6.8
218.03552	1.0
218.05739	20.0
219.02945	2.4
219.06413	1.6
228.04271	3.6
229.04944	4.5
231.03003	1.2
232.03668	1.0
233.04507	22.5
233.08078	51.7
234.04895	1.0
234.08446	1.7
243.02902	13.1
243.06671	1.3
243.11314	1.0
246.05241	7.4
261.03992	26.3
261.07593	100.0
262.04346	1.4
262.07928	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	261.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
52.67517	0.2
70.83513	0.2
77.03934	0.3
80.74262	0.2
82.02942	0.5
85.09721	0.2
87.00826	1.1
94.06590	1.0
95.04975	0.2
95.84083	0.2
100.46172	0.2
103.05473	1.8
104.04999	0.6
110.02402	0.2
115.05463	2.2
116.03467	0.3
118.06569	0.2
123.04372	0.3
128.04964	0.9
130.06531	100.0
131.04927	0.5
131.06857	1.8
132.04453	16.7
133.04755	0.3
145.07663	0.2
146.06012	8.0
156.04431	0.5
156.06795	0.4
157.07620	27.9
158.06013	86.5
159.04417	0.5
159.06383	2.0
169.07651	0.2
170.06067	0.3
172.07600	0.4
173.07120	6.3
174.05511	0.2
175.08673	9.5
176.07185	0.4
176.09032	0.2
197.07104	2.8
198.05525	0.4
199.08678	0.3
200.07095	0.5
201.06577	4.7
202.05128	0.3
202.06921	0.2
202.65276	0.2
205.04997	0.4
215.08157	0.3
216.06680	0.2
217.05011	0.2
224.90781	0.2
225.06555	0.7
233.04449	0.4
243.03140	0.2
243.07674	2.9
261.03943	0.5
261.08832	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	261.1447
Annotation	Ile Glu
Peak:m/z	Relative Intensity
56.05036	1.7
56.96555	0.4
58.06590	0.4
61.01161	0.4
68.05061	0.4
69.03443	0.3
69.07075	2.8
69.99926	1.0
70.06588	0.4
72.08155	1.3
73.08489	0.4
79.88441	0.3
84.04510	9.9
84.08142	3.9
85.04843	0.5
85.08482	0.9
85.58280	0.3
86.06087	2.3
86.09711	100.0
87.10039	2.5
89.31216	0.4
98.97593	0.4
102.05547	3.4
104.05337	0.6
108.20730	0.3
114.05525	0.9
119.48812	0.3
127.15182	0.3
128.07089	1.1
129.10313	0.6
130.05011	6.3
130.08672	0.5
130.10590	0.3
131.05298	0.4
131.72353	0.3
133.03186	0.4
147.07643	1.0
147.11365	0.4
148.06061	17.4
148.07985	0.8
150.05832	1.0
154.98701	0.3
167.08180	1.0
186.36507	0.3
194.58717	0.3
198.11348	0.4
213.08755	0.7
215.13934	0.7
219.03171	0.3
243.13499	0.4
261.03787	0.8
261.14447	6.7
261.98523	0.3
262.35040	0.4
269.91818	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	261.1446
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
55.01877	0.8
56.05046	2.9
56.96567	0.8
68.99795	1.0
69.07068	2.0
69.74818	2.3
79.05508	0.9
81.03429	0.6
81.07059	0.6
84.04509	64.7
85.02887	1.2
86.06074	2.4
86.09710	100.0
87.10034	1.2
89.87562	0.5
91.05476	1.0
96.04482	0.6
98.97584	2.0
102.05540	1.3
103.05486	3.5
105.07026	0.8
107.04984	0.9
112.07630	0.7
114.05547	2.4
115.05466	2.2
116.98598	1.2
121.06547	0.9
123.04417	1.9
130.05072	9.1
130.06532	44.1
131.02553	0.5
131.04939	8.5
131.06903	1.6
132.04463	7.0
132.10210	50.5
133.10533	0.9
135.44934	0.5
139.03952	0.6
142.05003	4.8
145.06531	0.8
146.05989	3.4
149.05981	0.7
151.03888	3.6
152.10706	1.8
156.06732	0.6
157.07611	12.2
158.06017	36.0
159.04428	9.3
159.06395	1.4
163.03902	3.3
169.08678	2.7
170.11661	1.0
171.04442	1.9
173.05881	0.9
173.07147	2.3
175.08691	3.8
177.05507	2.9
187.03905	5.8
189.05461	0.8
191.03419	1.3
197.07089	1.3
198.11261	13.9
199.03911	1.0
201.06635	2.1
203.03435	0.7
205.04985	6.0
215.03416	9.4
217.04927	1.5
218.05612	0.7
233.04457	8.0
233.08131	0.9
243.02902	6.6
243.07680	0.7
243.13478	0.8
244.11813	10.1
261.03970	25.0
261.07587	2.3
261.14450	9.1
262.04367	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	261.1488
Annotation	Heterogorgiolide
Peak:m/z	Relative Intensity
53.03929	1.7
55.01869	6.6
55.05507	4.3
57.03410	1.7
57.21812	1.5
64.65970	1.3
67.05502	5.7
69.03428	7.7
69.07070	2.4
69.08595	9.9
71.01345	1.9
71.04999	24.1
79.05487	6.2
81.03422	15.7
81.07064	5.7
82.83173	1.6
83.04980	2.4
85.02900	6.4
86.09727	3.8
90.54599	1.5
91.05491	16.5
93.07060	6.8
95.01349	3.2
95.04975	4.0
97.02882	9.5
98.97536	1.5
103.05442	2.4
105.07029	26.2
107.04953	4.0
107.08593	9.7
109.06508	3.1
109.10159	2.9
114.19260	1.5
115.05457	4.2
116.06203	2.2
117.07038	15.0
119.04942	1.7
119.08582	11.8
120.08077	1.8
120.33378	1.6
121.06494	4.4
121.10165	5.4
123.04401	3.3
123.08098	2.4
123.11687	1.9
128.06238	7.9
129.07010	14.2
130.07782	9.0
131.04936	2.2
131.08578	17.2
133.06491	6.4
133.10150	9.3
135.11710	2.2
141.06963	2.5
142.07793	1.9
143.08575	12.5
144.09320	2.9
145.06482	6.0
145.10115	30.2
147.08066	9.9
147.11685	5.3
149.09625	3.3
151.07593	1.4
153.07111	1.4
155.08568	9.7
156.09334	2.9
157.06535	4.3
157.10107	6.9
158.07246	8.7
159.08063	6.5
159.11670	11.8
161.09633	5.5
163.07507	2.8
163.11200	2.8
167.08551	3.5
168.09410	1.7
169.10091	1.9
171.08090	11.2
171.11679	5.6
172.08876	2.7
173.09634	67.6
173.13284	4.4
174.10066	2.2
175.07558	13.1
175.11140	3.7
177.05531	3.2
177.09122	2.7
177.12692	3.8
181.10072	2.0
182.10960	2.3
183.08037	3.8
183.11691	6.1
187.07504	1.8
187.11211	11.6
189.09087	7.1
189.12752	3.6
191.10689	10.4
197.09702	1.8
197.13261	5.0
199.11288	3.1
201.09180	2.6
201.12720	9.2
203.58258	1.7
207.11719	2.0
215.14316	6.9
219.13887	3.0
225.12781	4.8
231.13864	2.7
240.40189	1.8
243.13791	19.0
261.04062	2.1
261.07550	2.7
261.14874	100.0
262.15143	5.5
270.99905	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	261.1487
Annotation	Sericenin
Peak:m/z	Relative Intensity
53.03946	2.4
55.05495	2.6
56.05030	3.2
57.07066	3.8
58.06606	1.6
65.03937	2.4
65.15052	1.5
67.05495	4.3
69.03155	1.2
69.03443	13.6
69.07047	1.9
69.28949	4.1
69.29369	6.0
74.06070	2.2
79.05494	7.9
79.74432	1.4
81.07059	7.3
83.04973	5.4
85.10188	1.7
88.07642	11.7
91.05482	9.6
93.03420	4.0
93.07035	10.2
95.04977	3.7
95.08599	3.1
103.05468	3.6
105.07059	11.0
107.08595	3.7
109.02911	9.9
109.06517	4.1
117.07019	5.6
118.08627	3.5
119.08582	14.0
121.02898	1.9
121.06523	14.7
121.10155	5.4
122.08121	2.4
125.05978	4.5
128.06238	2.3
129.06999	6.5
130.06606	1.6
130.07780	2.6
131.04941	1.9
131.08578	14.6
133.10123	7.9
135.08076	4.8
142.07791	1.7
143.08546	9.1
144.09377	6.6
145.06496	6.3
145.10123	11.0
146.07231	2.7
147.08080	2.4
149.09589	13.8
155.08566	4.7
157.10107	3.0
158.07314	2.9
158.10907	10.8
159.08092	10.8
159.11705	22.0
162.06798	3.8
168.09296	2.3
170.10912	3.4
171.08054	8.4
172.08878	13.5
173.09648	29.1
173.13272	26.5
175.07599	2.7
181.06436	2.1
183.11697	8.4
185.09668	2.5
185.13278	2.2
186.10416	30.8
187.07658	3.6
187.11192	100.0
188.11536	2.8
190.06294	8.8
196.08824	4.1
199.07532	1.8
201.12766	49.4
205.08611	59.3
206.08879	2.0
211.11281	9.4
214.09886	4.6
214.21675	15.7
229.12241	67.8
230.12653	2.9
261.12436	2.7
261.14911	29.0
261.18008	2.1
261.22165	2.8
262.23779	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03944	2.1
55.01846	1.3
55.05274	1.6
55.05515	19.6
57.07069	1.3
59.04991	4.3
59.06106	1.6
65.03941	1.2
67.05502	8.3
69.07072	10.0
70.44865	2.2
71.04967	2.8
79.05497	8.8
81.07054	27.8
83.04971	4.1
83.08631	1.1
85.06545	5.3
88.07629	1.9
89.07160	2.7
91.05486	15.1
93.07046	20.3
95.04964	1.9
95.08604	15.2
97.06551	1.6
99.04452	7.4
101.06004	8.8
105.07033	69.7
106.07329	1.8
107.08592	28.2
109.06505	1.1
109.10159	8.3
117.07011	6.3
119.08582	68.9
120.08913	1.2
121.06521	1.3
121.10204	25.2
123.08080	1.6
123.11702	2.4
127.07595	1.8
130.07770	1.3
131.08569	11.9
133.10123	19.2
135.08070	2.4
135.11693	2.1
140.47083	1.2
143.08586	4.2
145.10124	40.0
145.11275	2.4
146.10666	0.9
147.11687	59.9
148.12083	1.7
149.09602	3.6
153.09024	2.2
155.08493	1.4
157.10141	7.0
159.11682	19.7
160.12532	4.9
161.13263	15.1
163.11136	1.1
165.09151	1.5
167.10695	3.8
169.10136	8.4
171.11714	2.0
173.09515	1.3
173.13284	7.8
175.11217	1.9
183.11665	4.7
185.13182	1.8
185.20047	1.4
187.11157	2.3
187.14807	1.6
197.13260	2.8
199.14835	3.8
201.12691	3.4
201.16389	17.6
205.12227	5.2
210.13954	1.3
215.14267	2.1
215.17937	2.9
217.22667	1.2
219.13719	1.6
225.16402	11.4
229.80894	1.1
243.17453	12.9
260.40475	1.0
261.18494	100.0
261.25244	10.2
262.18796	4.9
263.46860	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	261.2214
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
53.03934	3.9
55.05494	14.2
57.07069	3.3
67.05508	40.1
69.07059	14.3
79.05064	4.7
79.05498	55.5
81.07057	48.7
83.08615	6.3
85.06551	4.5
86.70815	2.2
86.95880	2.5
91.05482	33.8
93.07050	76.6
95.04980	5.3
95.08607	36.5
97.06538	4.9
98.97620	2.6
99.08054	3.2
104.07494	2.5
105.07021	24.0
107.08595	48.7
109.06538	2.9
109.10151	14.1
111.08089	4.3
113.09753	2.7
117.07019	8.4
119.08604	18.7
121.10141	39.8
123.11726	3.8
131.08572	11.9
133.10132	10.9
135.11702	32.1
145.10162	15.3
147.11678	11.0
149.13252	22.6
159.11713	8.6
161.13358	12.5
163.14812	14.8
173.13280	9.3
175.14873	4.2
187.14851	6.2
243.21098	28.1
261.12814	3.2
261.22147	100.0
262.22583	4.8
275.00003	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	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.05511	12.8
56.06499	1.8
57.07071	3.8
67.05511	38.7
67.93674	1.9
69.07069	16.0
70.86984	3.3
71.04975	2.2
71.08646	2.2
79.05495	50.2
81.07062	42.9
83.08617	5.4
85.06523	3.3
91.05485	29.6
93.06477	3.8
93.07052	69.5
94.15465	2.1
95.04952	3.3
95.08620	33.9
95.71356	2.2
97.06478	3.6
97.10195	2.5
99.08079	2.3
105.07035	17.0
107.07872	2.5
107.08603	51.1
109.06519	2.6
109.10149	15.2
110.76316	2.1
117.07043	5.4
119.08588	13.4
120.08103	2.8
121.10155	38.4
123.11697	4.6
130.06557	2.0
131.08612	11.9
133.10146	12.2
135.11681	31.2
145.10141	10.6
147.11714	9.6
149.13281	27.1
158.06058	2.2
159.11693	10.4
161.13208	10.0
163.14851	15.7
173.13277	9.2
175.14732	3.9
177.16380	4.8
187.14828	5.6
201.16447	3.5
215.17996	3.0
223.55540	2.1
243.21089	26.3
261.22137	100.0
262.22397	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02381	0.7
53.03944	2.9
55.05515	11.4
57.03422	1.1
57.07071	2.8
62.89894	0.6
64.45069	0.6
65.03938	1.9
67.05506	38.1
68.03107	0.6
69.07068	11.2
71.04989	2.7
71.08624	1.0
77.03924	0.9
79.05495	58.5
81.07059	43.9
81.07452	0.7
83.08614	6.9
85.06545	3.0
91.05483	26.6
93.07047	70.5
93.73605	0.8
94.35870	0.7
95.05017	3.5
95.08611	32.0
97.06533	3.2
97.10175	2.0
99.08091	2.8
105.07033	17.7
107.08598	46.8
108.08873	0.7
109.06518	2.5
109.10159	12.9
111.08093	2.2
113.09644	0.6
117.07001	6.4
119.08591	14.7
121.10144	39.3
122.10459	0.8
123.08067	2.1
123.11729	3.9
125.09628	0.8
129.07092	0.6
131.08569	14.4
133.10129	12.1
135.08075	0.7
135.11700	34.3
137.09653	1.6
137.13249	1.6
141.27654	0.7
145.10127	13.7
147.11688	10.5
149.13266	23.0
150.13614	0.7
151.11143	1.2
151.14853	0.8
159.11676	7.9
161.13257	9.5
161.31360	0.6
163.14813	15.0
165.12747	2.0
173.13280	9.1
175.14796	3.3
177.16379	2.7
179.14273	1.1
187.14848	5.9
189.16345	0.8
193.15924	0.8
201.16408	2.0
205.15891	0.7
205.29857	0.7
215.17885	1.6
219.17439	1.1
232.51181	0.7
233.22679	1.1
243.21082	26.6
244.21490	1.0
261.22144	100.0
262.22528	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02368	1.1
53.03941	3.2
55.01865	1.4
55.05274	1.0
55.05513	12.5
57.03429	1.7
57.07076	4.4
59.14572	0.6
64.53366	0.6
65.03934	2.6
67.05509	43.6
69.07072	12.2
70.58821	0.6
71.04987	2.3
71.08625	1.0
76.17799	0.8
77.03926	1.1
79.05496	61.2
80.05830	0.9
81.07061	48.1
82.07404	1.2
83.04985	1.1
83.08623	7.7
85.06549	3.6
89.99850	0.6
91.04900	1.1
91.05485	28.6
93.07049	79.3
94.07375	0.7
95.04959	4.5
95.08611	34.0
97.06537	3.2
97.10170	3.0
99.08098	2.8
103.05492	1.0
105.04500	1.8
105.07031	17.9
107.08598	48.6
108.08934	0.7
109.06523	1.6
109.10154	14.5
111.08089	3.0
113.09655	0.9
115.05488	0.6
116.06197	0.7
116.57046	0.7
117.07020	7.5
119.06052	0.8
119.08581	18.9
121.10146	41.0
123.08083	1.7
123.11699	4.4
131.08575	14.5
132.09180	0.8
133.09224	1.0
133.10146	12.4
135.08119	1.0
135.11697	34.7
137.09616	1.8
137.13271	1.7
139.11179	1.0
145.10126	13.9
147.11710	9.9
149.09639	1.0
149.13263	27.4
151.11253	1.0
159.11699	9.7
161.13268	11.9
163.14832	14.7
165.12753	1.9
173.13274	8.9
175.14804	3.0
177.16385	5.1
179.14313	2.0
187.14815	7.5
189.16341	1.4
191.14314	0.7
201.16434	3.2
203.17920	0.9
205.15894	1.2
215.17978	1.9
219.17415	1.3
233.22772	0.9
243.21095	27.9
248.91632	0.7
261.22144	100.0
262.22443	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	262.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03949	0.7
54.53764	0.3
55.01609	0.5
55.01872	7.5
55.02127	0.6
56.05035	1.2
57.07072	0.5
58.06608	0.7
58.65872	0.3
63.86015	0.3
70.17259	0.7
70.17627	0.5
74.06074	0.9
75.71106	0.3
77.03931	0.5
82.02967	0.7
84.04512	0.4
88.07645	3.8
91.05486	11.7
93.07049	0.7
95.04994	0.6
100.03976	1.0
103.05476	30.8
104.05794	0.4
105.07015	0.9
112.81170	0.3
115.03996	0.3
115.05449	0.4
118.06583	1.4
118.08646	0.9
120.08111	38.3
121.06512	51.2
121.08400	1.2
122.06844	0.7
122.08154	0.8
129.06998	3.0
130.06491	0.3
131.04936	12.9
131.08582	1.8
132.08093	1.4
133.06509	0.4
135.08058	4.7
146.06023	5.5
146.09630	1.3
150.32823	0.3
156.08102	12.6
157.06494	4.3
160.07611	0.4
163.07547	6.2
171.83812	0.3
174.09157	11.2
184.07594	14.8
185.05978	1.4
185.07803	0.4
202.08640	100.0
203.09021	3.2
214.21645	4.8
230.08130	10.7
234.11292	0.4
244.09703	0.8
244.22803	0.5
262.10764	4.5
262.23782	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	262.144
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
53.03942	1.5
55.05527	0.9
63.41760	0.6
65.03950	1.7
67.05502	3.0
68.55205	0.6
69.07071	1.5
70.06590	1.5
79.05495	2.2
80.32178	0.7
81.07071	3.0
82.04204	1.9
88.07626	1.9
91.05484	8.5
93.03405	7.9
93.07049	12.9
95.04962	2.3
95.08622	2.5
97.06545	9.7
102.09212	0.7
103.05473	10.3
104.99287	1.9
105.07053	1.7
107.04986	0.8
107.08602	1.2
109.10155	1.1
110.06053	5.4
114.09145	1.3
119.04959	0.7
119.08601	0.6
121.06511	100.0
122.06852	1.8
123.11716	1.3
125.05997	35.7
142.08620	5.7
160.20352	0.6
200.20082	3.7
228.77843	0.7
230.11771	15.5
234.14859	1.7
262.14407	26.1
262.18506	1.0
262.21652	1.8
262.23944	4.5
263.23810	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09838	6.9
60.01356	6.5
70.06591	8.2
70.19609	15.1
70.19936	8.1
84.04529	12.5
101.00903	28.6
113.00891	7.3
117.56078	7.0
118.08658	10.1
119.01936	42.1
131.01952	18.2
143.01933	54.7
155.01962	22.7
161.02983	100.0
173.03006	26.5
186.25899	7.0
191.04082	20.2
195.35310	7.3
203.04042	17.5
221.05191	8.0
263.01807	17.7
263.05984	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85629	21.7
57.08093	21.6
66.06787	25.0
70.76281	22.2
70.76597	37.9
101.00893	32.9
118.08654	67.2
122.34956	22.0
143.01938	35.4
149.07133	23.8
161.03006	82.5
173.03053	35.6
206.07504	24.8
263.01602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75278	21.7
69.68459	78.2
99.09583	25.1
118.08687	58.4
119.01985	20.8
131.01903	28.0
143.01926	49.3
148.29376	22.0
161.02950	100.0
256.95703	23.2
263.01669	59.5
263.05420	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01876	19.3
57.03432	1.6
61.80277	0.4
63.05859	0.4
67.00481	0.4
68.99797	1.1
70.49801	1.1
79.05499	5.1
83.01353	1.8
91.05466	3.7
95.04978	1.8
103.05484	2.5
105.02818	0.3
105.03394	18.4
105.07034	36.4
106.07368	0.9
107.04957	82.5
108.05290	1.8
114.05533	1.1
115.05450	13.5
117.06996	1.0
119.04925	2.6
121.02860	7.5
121.06485	1.0
123.04427	1.0
131.04962	1.4
133.01813	0.8
133.02859	25.0
133.06496	66.0
134.03601	1.7
134.06828	1.5
135.04422	11.6
143.04906	2.1
143.05946	0.6
145.06468	1.6
147.04427	4.3
155.06041	1.0
160.05229	1.1
161.02351	12.1
161.05983	71.6
162.06314	1.9
171.04407	21.4
171.05608	5.9
173.05943	0.9
175.03748	0.5
179.01974	0.8
179.03421	8.1
189.05470	100.0
190.05809	3.1
199.03912	28.4
200.04279	0.6
217.04964	38.6
218.05292	1.1
235.02216	0.4
235.06042	2.2
263.01840	0.5
263.05518	1.4
263.10965	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	263.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
51.26846	0.3
53.03938	0.5
55.01877	17.6
55.05514	0.4
55.54126	0.4
55.81830	0.3
57.03440	1.7
68.99797	0.6
70.55856	0.6
70.56192	0.6
72.08173	0.4
79.05505	4.6
83.01338	2.3
83.01720	0.3
91.05483	3.9
93.07051	0.5
95.04963	1.9
101.06053	0.3
103.05478	3.3
105.03397	19.2
105.07037	36.2
106.03818	0.4
106.07355	0.7
107.04959	80.1
108.05305	1.7
109.06531	0.4
115.05457	11.9
117.07010	1.2
119.04944	3.0
121.02877	7.5
121.06509	1.4
122.03326	0.3
123.04447	0.9
131.04912	1.4
133.02861	26.3
133.06496	62.6
134.03551	1.0
134.06815	1.0
135.04420	9.9
135.05394	0.7
143.04926	1.7
144.05647	0.4
145.02820	0.3
145.06505	1.6
147.04410	4.3
151.04059	0.3
155.06082	0.8
160.05185	0.7
161.02357	12.9
161.05984	71.6
162.02620	0.4
162.06302	1.3
171.04405	23.4
171.05609	5.2
172.04727	0.7
173.05928	0.7
175.03870	0.5
179.03424	6.8
189.05473	100.0
190.05820	2.7
199.03911	30.4
200.04274	0.8
203.03389	0.4
217.04968	39.9
218.05278	1.1
235.06015	1.8
245.11734	0.4
263.01749	0.4
263.05429	1.3
263.12805	0.5
263.16208	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	263.0552
Annotation	2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
51.02363	0.6
53.03944	0.8
55.01875	17.3
57.03443	1.6
63.04292	0.6
68.99812	1.0
70.85285	1.1
73.08184	0.6
77.03928	1.0
79.03983	0.6
79.05497	3.7
83.01336	2.3
85.02911	0.9
86.11347	0.6
91.05487	4.5
95.04971	2.5
103.05467	4.0
103.06053	0.6
104.72802	0.8
105.03398	36.2
105.07037	36.3
106.07372	1.1
107.04959	80.3
108.05305	1.0
115.05459	11.5
117.07021	1.0
119.04937	1.9
121.02877	6.6
121.06500	1.5
123.04410	1.0
124.90679	0.6
131.04918	1.7
132.05655	1.0
133.02864	26.0
133.06496	66.1
134.03633	0.9
134.06825	1.6
135.04428	9.4
135.08046	0.9
142.85092	0.6
143.04932	2.0
145.06476	2.8
147.04428	5.9
155.06009	0.9
160.05260	1.0
161.02365	13.4
161.05984	73.3
162.06328	1.9
165.01134	0.7
171.04404	23.7
171.05606	6.0
173.06023	1.0
179.03419	7.9
189.05472	100.0
190.05811	2.1
199.03909	29.9
200.04347	1.1
217.04970	39.7
218.05229	1.1
235.05972	2.3
245.04573	0.7
263.05484	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	263.1278
Annotation	Picridin
Peak:m/z	Relative Intensity
53.03947	1.8
55.01871	2.9
55.05508	2.8
61.72586	1.6
65.03920	1.9
67.05499	7.5
69.03436	10.0
69.07041	1.9
69.26559	4.2
69.26981	4.6
70.06579	5.0
71.04984	2.4
79.05501	8.9
81.07061	10.7
83.04977	3.8
85.02922	3.3
91.05482	16.3
93.07045	10.8
95.04974	5.8
95.08617	4.4
97.02885	4.3
97.06522	14.9
98.22659	3.5
99.04478	1.4
103.05436	1.8
105.07035	16.6
107.04934	3.5
107.08590	14.9
109.02902	6.8
109.06501	8.1
109.10165	2.0
111.04443	9.8
111.08047	2.1
113.02372	4.5
115.05469	6.9
116.06226	1.9
117.07045	8.7
117.75324	1.4
119.04934	3.6
119.08578	12.6
121.06506	8.7
121.10115	2.1
123.04461	7.7
123.08070	5.3
124.90423	1.6
128.06236	5.8
129.07010	13.1
131.08578	15.9
133.06488	5.4
133.10100	5.5
135.08060	100.0
136.08377	2.1
137.05994	5.7
137.09578	2.0
139.03929	1.6
139.07512	1.7
141.06973	5.4
142.07784	9.1
143.08577	9.2
144.05717	6.3
144.09387	3.9
145.06479	8.1
145.10124	5.3
146.07166	1.9
147.04427	3.3
147.08055	9.2
147.11723	2.0
149.05981	3.0
149.09657	3.5
151.07553	1.6
153.07016	2.3
154.07840	1.4
155.06021	2.5
155.08559	2.0
156.09335	12.2
157.06458	6.1
157.10138	11.0
158.07214	4.0
159.08058	14.2
159.11664	10.5
160.08751	2.0
161.06003	6.5
161.09537	9.4
163.07549	3.5
165.09137	2.6
166.07782	3.1
169.06508	2.9
171.07986	2.9
171.11710	9.6
172.08827	5.5
173.05975	4.1
173.09648	12.2
174.06787	2.2
175.07535	5.6
175.11180	9.0
177.09135	2.0
181.10085	3.6
183.11761	1.5
184.08859	5.4
185.06032	4.8
185.09567	5.4
187.07567	5.4
187.11188	29.4
188.08292	3.0
189.05489	2.4
189.09137	3.2
189.12741	4.2
191.07106	3.0
197.09573	1.9
199.07616	4.3
199.11194	16.9
202.06184	2.0
202.09944	3.1
203.07092	3.1
203.10686	33.3
203.14293	1.6
204.07829	6.8
209.09735	1.8
212.08315	5.0
215.10703	18.5
217.01398	1.9
217.08600	6.3
217.12238	19.2
227.10658	16.4
233.11739	17.5
235.05844	2.0
245.08034	2.5
245.11732	55.0
246.11890	2.3
263.01788	3.0
263.09412	10.4
263.12811	16.1
263.16479	1.8
263.23706	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	263.128
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03938	4.3
54.56398	1.9
55.01874	3.0
55.05514	2.7
59.37066	1.7
65.03935	2.5
67.05494	6.8
69.03433	12.6
69.09751	13.6
70.06589	7.2
79.05491	15.5
81.07075	11.6
83.05000	4.6
85.02905	3.7
86.09743	1.8
87.94788	1.7
91.05480	17.5
93.07053	9.5
95.04980	7.3
95.08609	8.0
97.02904	12.2
97.06533	17.4
98.23355	3.3
99.04449	3.0
105.07027	15.4
107.08593	12.2
109.02879	5.7
109.06489	4.7
109.10154	2.5
111.04453	8.2
113.02360	6.3
115.05476	4.5
117.07030	7.8
119.04942	5.7
119.08614	12.8
119.39935	2.1
121.06526	9.9
121.10162	2.9
123.04451	8.6
123.08041	4.9
125.02362	21.5
128.06201	3.4
129.06996	6.6
131.08580	10.9
133.06502	5.0
133.10162	6.6
135.08061	100.0
137.05981	3.4
137.09534	1.9
139.07590	2.0
141.06996	4.6
142.07811	4.3
143.08548	9.0
144.09315	2.0
145.06482	4.3
145.10124	5.2
147.04410	7.4
147.08069	8.6
147.11659	2.7
149.05963	2.8
149.09641	4.0
155.08644	2.7
156.09369	8.8
157.06509	2.7
157.10121	7.7
159.08078	11.2
159.09201	1.9
159.11708	11.8
160.08806	3.7
161.05980	5.7
161.09659	7.2
163.07582	2.9
165.09171	3.5
166.07776	2.5
171.08109	4.4
171.11697	9.8
172.08859	7.0
173.09657	8.4
175.07571	4.3
175.11176	3.9
181.10159	3.8
184.08873	6.6
185.09587	5.3
187.07530	3.4
187.11200	27.8
188.08290	4.0
189.05580	3.1
189.09131	4.1
189.12762	5.2
197.09685	2.3
199.11182	24.7
203.08798	3.2
203.10672	30.9
209.09625	2.8
212.08369	2.9
215.10690	17.5
217.12238	22.6
221.41293	1.9
227.10692	15.7
233.11757	14.0
245.11720	49.5
246.11642	2.2
263.05353	2.9
263.08813	2.2
263.10376	2.5
263.12842	25.8
263.16495	4.9
264.13123	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1644
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
55.01873	8.6
55.05518	45.6
57.07057	4.3
67.05514	6.6
69.03443	4.0
69.07055	5.3
71.05014	4.4
79.05496	15.9
81.07071	38.6
83.04993	6.6
83.08147	7.2
83.08621	100.0
83.76461	3.7
91.05491	19.4
93.07043	21.0
94.04131	5.6
95.04974	11.2
95.08604	13.1
97.06542	13.7
104.99276	45.8
105.07058	9.5
107.04962	8.9
107.08591	41.6
109.06522	90.2
111.08088	18.4
119.06065	3.5
119.08582	9.9
121.06533	10.6
121.10149	10.2
123.08064	9.3
125.09629	12.9
127.07497	4.0
129.07022	4.1
131.08601	6.0
133.10118	6.0
135.11717	5.3
136.94907	4.8
137.05992	27.5
139.11203	23.9
143.08531	4.5
145.10112	7.8
147.08104	5.6
149.09618	7.3
153.09113	13.5
159.11688	12.7
161.03012	5.4
161.09616	6.5
161.13336	4.3
181.12251	12.0
185.13367	3.9
187.11157	9.6
203.14377	8.2
205.12270	15.2
221.15349	20.9
245.15347	4.9
263.16397	11.5
264.23145	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.27690	1.4
53.03940	2.5
55.05515	14.7
57.03421	2.3
57.07083	11.3
67.05510	83.2
68.84042	1.2
69.07063	16.9
71.04964	1.6
71.08633	8.7
71.31026	2.2
79.05499	24.9
81.07061	100.0
83.04958	1.5
83.08629	13.4
85.06547	3.2
85.10177	5.5
91.05486	17.2
91.67060	1.2
93.07044	23.4
93.17192	1.3
95.04958	2.0
95.08614	90.6
97.06560	7.7
97.10188	8.0
99.08094	5.8
104.99283	9.3
105.07038	10.4
107.08592	14.8
109.06509	2.1
109.10158	45.1
110.10465	1.5
111.08091	5.5
113.09647	2.6
119.01861	1.5
119.08589	11.5
121.10152	18.0
123.08095	2.3
123.11711	21.0
125.09637	1.4
133.10146	13.4
135.11708	10.5
137.09634	3.1
137.13275	8.6
141.12778	1.6
147.11684	12.1
149.13284	9.7
151.11130	1.5
151.14828	7.9
161.13249	11.0
163.14879	8.4
164.92096	1.6
165.12756	2.0
165.16406	7.5
175.14862	7.0
177.16428	2.0
179.17862	1.5
189.16386	4.5
217.19403	1.6
245.22636	27.8
263.23712	68.5
264.23886	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03950	1.4
53.14087	0.6
55.05515	15.2
57.03442	1.3
57.07077	10.9
57.45044	0.6
60.08163	1.8
65.03947	2.4
67.05510	85.0
68.05831	1.2
69.03436	0.9
69.07076	15.9
69.57229	3.6
71.05009	1.8
71.08639	5.3
77.99413	0.6
78.96740	0.6
79.05499	20.7
79.05963	1.0
81.03457	0.6
81.07063	100.0
82.07408	1.2
83.04988	2.2
83.08627	13.3
85.06548	4.3
85.10178	2.8
91.05482	16.5
93.07046	23.1
94.46003	0.6
95.04968	1.2
95.08614	85.7
96.08952	1.7
97.06545	6.7
97.10184	6.7
99.08103	5.7
104.99303	4.4
105.07037	12.8
107.04977	2.4
107.08601	14.2
109.06535	1.6
109.10160	41.6
111.08093	4.2
111.11731	1.5
113.09659	3.3
117.07068	0.9
119.08592	12.1
121.06512	1.0
121.10146	14.8
123.08108	3.1
123.11717	16.5
125.09658	1.2
127.11203	2.9
133.10135	12.2
135.11696	7.9
137.09641	2.9
137.13268	6.9
139.11266	0.7
141.12759	1.7
143.08589	0.9
147.08032	0.7
147.11691	10.0
149.13280	8.4
151.11230	1.5
151.14833	7.4
155.14310	0.6
161.13298	8.3
163.14841	8.1
164.05025	0.7
165.12895	0.6
165.16403	6.7
167.14325	0.7
171.79172	0.7
175.14828	6.8
177.16402	2.1
179.17955	3.1
189.16360	3.5
193.15959	1.0
197.35738	0.6
203.18018	1.2
207.17429	1.0
208.13348	2.2
217.19562	1.1
219.21172	0.8
221.13133	0.9
233.13216	0.9
233.71973	0.8
245.09892	0.7
245.22647	27.0
246.22937	1.8
263.23715	70.0
263.50504	0.7
264.24084	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	2.9
55.01868	2.6
55.05516	20.3
57.03433	1.5
57.07074	15.0
67.05507	89.4
69.03391	2.2
69.07071	22.3
71.05004	2.0
71.08617	8.1
79.05494	28.0
81.03419	4.5
81.07056	89.0
82.07388	1.5
83.04969	1.9
83.08624	14.1
85.06528	4.8
85.10176	2.9
86.23565	1.5
91.05479	27.8
93.07044	28.1
95.04966	5.6
95.08609	85.5
97.06538	16.1
97.10178	7.1
99.08047	3.5
100.06853	1.5
103.84717	1.6
104.99261	5.2
105.07039	12.2
107.08585	13.2
109.06506	2.9
109.10156	33.3
111.08079	8.2
111.11698	2.5
113.09631	2.4
117.06948	2.0
119.08581	18.4
121.10123	16.1
123.08070	8.3
123.11712	13.8
127.11192	2.2
133.10115	17.1
135.11714	9.0
137.09616	7.0
137.13271	8.8
141.12756	3.3
147.11713	10.1
149.13249	7.9
151.11172	4.3
151.14783	9.1
161.03038	2.2
161.13310	8.4
163.14824	5.8
165.16423	4.2
175.14835	5.5
179.18036	1.7
189.16425	4.0
189.68282	1.8
197.48923	1.5
217.19708	1.7
222.33896	2.0
223.72920	1.8
229.64342	1.7
245.22643	20.6
253.44633	1.6
263.23703	100.0
264.24002	3.5
279.93631	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	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.77835	0.5
55.05519	0.8
56.96567	100.0
61.21851	0.5
68.05046	0.9
70.06596	1.0
71.28876	0.6
71.95273	2.0
72.08158	1.1
72.96054	4.0
74.97627	1.0
75.35102	0.5
80.87566	0.5
81.04546	1.5
81.07078	0.8
83.97643	4.3
84.04512	5.5
84.08136	0.8
85.02915	0.6
91.05486	0.7
93.07044	0.8
93.61433	0.5
97.99196	0.7
98.38912	0.5
98.97586	13.3
98.98193	0.9
101.98705	0.7
102.05548	0.9
110.09691	1.7
113.93011	0.5
114.05567	2.5
115.08701	0.7
116.98633	7.2
120.08150	0.8
121.06512	2.5
122.07160	11.2
130.04988	2.8
134.99663	3.5
138.09145	1.4
142.04964	2.8
144.04807	2.3
144.96846	1.2
149.02779	0.7
156.10268	1.9
162.03027	0.8
162.04202	0.8
163.04504	1.0
165.02289	1.4
166.05367	1.0
167.03822	0.8
169.01859	0.6
176.03838	13.4
176.05342	0.7
177.02151	0.7
178.05402	8.5
179.00214	0.8
181.01755	1.9
183.03323	6.1
184.09724	1.7
185.04677	0.7
185.10110	0.6
190.01875	1.5
192.03401	2.3
194.04907	7.6
196.06412	6.8
196.07976	0.5
197.01295	1.8
198.70033	0.5
201.04335	6.1
201.12366	2.2
202.10774	10.6
202.12648	1.7
204.03285	6.5
208.02831	6.7
210.04471	1.9
215.02359	0.7
219.03232	1.2
222.04381	66.0
223.01460	1.1
223.04779	2.8
226.03809	4.9
240.05441	59.2
241.05890	1.8
245.06050	2.1
263.07239	0.6
264.05444	13.4
264.12442	1.7
265.03430	0.8
265.05991	0.7
265.08664	0.6
282.06650	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	264.0869
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
51.02383	0.3
53.03948	0.5
54.03479	0.2
55.01873	7.0
56.27050	0.2
65.03934	1.0
67.05472	0.2
69.58324	0.4
69.58712	0.3
69.90720	0.2
72.04517	6.3
75.03352	0.2
77.03918	0.3
79.05507	0.4
82.02941	2.0
84.04513	0.4
91.05482	23.6
93.07045	0.7
95.04971	16.8
96.05292	0.3
98.22687	0.3
100.03983	27.9
103.05465	1.8
105.04523	0.3
107.04956	17.5
109.06508	0.9
117.07013	0.7
119.04945	65.0
120.05269	1.2
121.06500	1.3
123.04432	42.2
124.04750	0.5
130.06555	0.2
131.04985	0.5
133.06482	0.3
134.06018	1.9
135.06812	0.4
136.07579	20.2
137.05977	1.0
137.08017	0.2
137.09293	0.2
144.04509	0.5
144.08095	0.6
145.06499	3.2
146.05980	0.4
147.04411	14.2
147.08055	0.9
148.04794	0.3
148.07539	1.1
149.06023	0.4
149.49266	0.2
154.06534	0.9
155.06056	0.4
155.07225	0.3
157.05255	0.3
158.06026	1.0
159.04369	0.4
162.05487	2.4
162.09103	0.4
165.05484	16.5
172.07578	13.6
173.05988	3.5
173.07617	0.3
176.07091	0.3
190.08638	4.8
200.07071	34.6
201.05482	0.8
201.07430	0.9
218.08125	100.0
219.08475	2.4
228.06500	0.8
246.07608	4.7
251.11282	0.2
264.08667	4.7
264.12915	0.2
271.26978	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	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07509	0.3
60.94153	0.4
63.02386	0.7
63.40716	0.4
66.63417	0.4
67.05494	0.9
68.69972	0.4
69.07054	0.8
71.08622	2.2
79.05502	0.5
81.07051	1.1
85.06516	0.4
86.09693	0.6
88.11214	0.6
89.03924	6.4
91.05481	1.9
93.07050	0.9
95.08607	1.2
98.22651	1.4
103.05399	0.6
105.07036	0.8
107.04963	0.7
117.03382	24.2
118.03682	0.5
119.04912	1.1
119.08740	0.4
121.06526	3.0
122.07147	1.1
134.03610	2.0
135.04431	2.1
136.05203	3.3
137.05972	0.6
145.02849	67.5
146.03195	1.7
149.05992	7.1
151.07547	2.2
162.03088	1.6
163.03922	2.8
169.08427	0.4
170.08501	0.4
177.05472	100.0
178.05876	2.7
186.05441	1.2
203.14343	1.1
219.17441	5.3
264.15955	62.8
265.13907	0.6
265.16348	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	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	3.6
53.23496	4.5
55.05514	24.4
57.07088	4.1
64.10471	3.5
67.05505	11.6
68.05830	4.2
78.08092	4.1
81.07060	15.3
82.33898	3.7
83.04991	30.2
91.05470	6.3
93.07047	6.8
95.08606	13.1
96.08955	5.5
101.27242	4.1
119.08572	53.5
121.06517	14.4
147.08066	100.0
204.12875	3.9
226.44969	4.2
249.98955	4.2
264.24103	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	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52828	0.4
63.02399	0.3
66.48879	0.3
67.05502	0.3
69.07059	0.5
71.08627	1.7
73.65555	0.3
86.09693	0.4
88.11250	0.5
89.03915	6.6
89.04423	0.6
91.05477	2.0
93.07059	0.5
95.04893	0.3
95.08575	0.3
98.23401	0.5
103.05469	0.5
105.07001	0.6
113.66935	0.4
117.03380	26.4
118.03693	0.3
119.04960	1.8
121.06532	1.5
134.03621	1.7
135.04446	1.9
136.05185	3.5
137.05984	0.7
145.02846	63.3
146.03188	1.5
147.04413	0.6
149.05977	8.1
149.07088	0.6
151.07556	3.1
162.03146	1.3
163.03915	2.8
177.05470	100.0
178.05923	2.1
186.05507	0.7
192.06554	0.4
236.32538	0.3
244.29784	0.3
264.15955	62.0
264.24078	1.1
265.16153	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	264.2322
Annotation	Victoxinine
Peak:m/z	Relative Intensity
50.72976	0.3
55.01877	3.6
55.05508	1.0
57.07072	0.8
67.05508	1.2
69.07076	1.9
71.08637	1.7
72.04540	0.3
78.60841	0.3
79.05497	1.9
81.03430	0.3
81.07073	2.0
83.08578	0.3
83.51093	0.3
84.49870	0.3
86.09710	0.4
91.05484	1.1
93.07046	6.8
94.06564	0.4
95.08600	2.1
96.08136	0.5
97.06532	3.5
98.09699	0.8
98.23363	0.6
105.07049	0.7
107.08586	4.2
109.06534	0.4
109.10180	1.5
110.09700	0.5
112.11245	1.1
118.06560	0.5
119.08611	0.4
121.06541	0.7
121.10143	1.1
124.07572	0.5
134.09622	0.8
135.11679	1.6
138.09137	0.4
139.63640	0.3
146.09662	0.4
147.10405	0.4
149.13281	1.6
150.09111	1.9
150.12675	0.4
151.09950	0.6
152.10680	0.9
152.14346	0.9
164.10736	0.4
165.12746	0.3
166.12415	0.5
168.17490	3.8
176.14337	2.1
177.12801	0.6
178.15907	0.4
190.16028	0.5
192.13875	0.5
194.15405	14.2
195.15834	0.7
195.20662	0.3
206.19116	0.4
208.17000	0.9
220.16953	2.7
221.17700	0.4
222.18561	0.7
222.22168	0.7
228.89276	0.3
246.22215	2.6
255.94995	0.4
264.23233	100.0
265.23572	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	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03939	3.7
55.01869	2.9
55.05513	12.4
65.03947	6.9
67.05508	21.3
69.03431	27.8
69.07066	4.1
69.12299	10.0
69.12721	10.8
71.04996	5.3
72.08148	9.3
77.03960	3.3
79.05508	18.5
81.07057	11.4
83.04985	7.1
89.03896	4.0
89.10792	8.2
91.05488	37.5
93.03387	4.4
93.07052	32.9
93.64529	2.3
95.04967	35.8
95.08601	17.9
97.06533	7.6
98.22673	5.4
99.04446	6.3
100.24240	2.4
105.07040	50.4
107.04963	4.1
107.08603	15.9
109.02881	3.1
109.06522	16.2
109.10153	7.9
111.04456	24.6
111.08080	9.2
113.05997	14.7
115.05383	5.1
117.03399	20.7
117.07006	14.2
119.04904	2.6
119.08582	70.1
121.02872	12.6
121.06516	31.7
121.10159	9.3
122.07149	3.6
123.08084	17.4
124.91081	2.3
128.06232	5.9
129.06982	13.5
130.07822	3.7
131.08580	35.0
133.06477	6.6
133.10114	14.7
135.08061	63.5
137.05928	3.5
137.09616	11.0
139.03917	6.5
139.07494	4.6
141.06970	5.5
142.07782	8.1
143.08566	9.7
144.05716	3.1
144.09303	6.5
145.02853	61.9
145.06494	14.0
145.10127	24.3
146.07224	4.7
147.08076	33.3
147.11726	15.3
149.05989	7.5
149.09575	7.6
151.07552	3.2
153.06975	4.6
153.09123	4.3
155.08568	6.4
156.09358	4.6
157.06572	4.3
157.10168	16.4
158.07263	14.4
158.10954	3.3
159.08076	32.1
159.11702	29.8
160.08812	2.5
161.05963	3.8
161.09621	32.6
161.13266	4.4
163.07553	4.2
165.09123	22.5
168.09306	4.7
169.10085	4.2
171.08092	6.2
171.11668	8.2
172.08836	17.8
173.09691	11.8
173.13264	12.3
174.06793	4.1
175.07565	56.3
175.11172	30.0
177.05479	100.0
183.11685	8.8
185.09633	7.3
186.10416	3.6
187.11214	33.7
189.09079	5.7
189.12703	12.2
193.08615	18.0
193.10168	5.0
196.08864	8.9
199.11211	10.7
201.12738	26.1
203.10690	31.9
205.12206	5.9
207.10219	2.7
211.11250	17.6
217.12115	16.3
219.13760	8.2
229.12299	18.1
235.13438	4.9
247.10988	4.2
247.13348	34.8
248.13004	7.6
265.14325	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	alpha-Santalene-12,15-dioic acid
Peak:m/z	Relative Intensity
55.05517	67.5
63.68533	32.4
66.89430	33.5
69.99542	37.5
71.29991	41.1
71.30363	42.3
79.05484	47.6
81.07056	85.7
93.07030	77.7
95.08619	70.3
96.06826	40.0
100.60889	35.5
109.10172	48.0
119.08545	52.7
122.07130	100.0
129.05325	38.1
131.08733	44.2
145.10135	40.0
162.19070	38.0
173.06017	50.5
201.12643	41.4
265.08493	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
55.05511	12.9
57.07083	9.2
59.04991	6.7
64.20179	4.7
67.05508	20.5
68.99788	5.5
69.03471	53.9
79.05500	15.6
81.07054	13.7
83.04981	62.6
83.08614	6.6
85.06557	5.4
91.05478	23.0
91.65228	4.1
93.07034	25.5
95.04970	14.0
95.08615	15.6
97.06530	6.8
102.09132	3.9
105.07034	21.7
107.08588	42.5
109.02911	7.5
109.06531	18.1
109.10158	10.8
111.04451	49.8
111.08058	10.4
113.06003	20.8
117.07013	14.3
119.08586	20.2
121.06501	30.4
121.10143	11.8
122.06025	16.1
122.07157	35.5
123.08122	21.2
125.05957	5.6
125.09666	8.5
131.08603	12.8
135.08058	82.0
135.11719	6.6
137.09651	6.5
141.09708	4.5
143.08525	5.9
144.04735	8.6
144.09441	5.6
145.06517	16.5
145.10132	10.7
147.08060	10.5
149.06075	4.9
149.09642	17.3
153.09109	19.9
159.08134	5.3
159.11650	22.7
161.06075	4.9
161.09642	10.9
163.07570	59.3
163.11201	15.6
165.09128	16.8
172.08861	4.5
173.09642	11.2
173.13255	16.5
183.11688	5.0
186.10475	9.6
187.11145	33.7
191.07011	25.4
201.12735	34.7
205.12248	18.0
209.08171	5.1
211.11185	8.0
219.13829	24.8
229.12299	40.4
247.13306	100.0
265.10263	8.9
265.14343	34.0
265.24612	6.6
266.24945	10.5
271.45935	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	265.1436
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01868	2.7
55.05505	6.1
57.07084	8.3
59.04998	5.4
65.03934	5.3
67.05518	8.2
68.99782	3.9
69.03428	11.0
69.07085	3.1
69.09234	10.4
71.05000	2.1
79.05505	13.9
79.72136	1.5
81.03429	9.6
81.07049	10.6
83.04987	13.2
83.08634	2.3
85.02903	2.9
91.05485	23.2
93.03403	5.4
93.07048	19.7
95.04964	10.4
95.08623	6.1
97.02916	1.9
97.06547	9.6
99.04476	2.0
99.08115	2.3
105.07037	17.2
107.04967	3.2
107.08597	29.3
109.02884	4.5
109.06524	28.0
109.10140	5.3
111.04441	6.4
111.08093	9.0
113.02378	1.9
115.05444	3.9
117.07026	19.2
119.04984	2.7
119.08594	30.5
120.08104	2.7
121.02895	13.3
121.06504	26.3
121.10130	11.4
122.07130	4.4
123.04434	3.9
123.08083	6.9
125.09619	9.8
127.03920	2.2
128.06198	2.3
129.06995	5.5
131.08597	10.2
133.06532	1.8
133.10132	7.0
135.04367	2.1
135.07088	3.4
135.08064	50.8
135.09085	2.9
135.11716	8.4
137.05905	2.6
137.09573	1.9
139.03922	5.4
139.07549	3.9
141.07007	1.7
143.08575	5.1
144.04768	1.8
144.09338	2.7
145.06491	11.2
145.10124	7.9
147.08067	7.4
147.11719	2.6
149.05991	7.3
149.09596	4.8
149.13269	2.1
151.07567	14.2
153.09090	11.4
155.08537	2.3
157.10103	2.7
158.10872	5.1
159.08076	4.4
159.11725	16.5
161.09616	4.6
161.13243	1.6
163.07553	41.1
163.11200	7.3
165.09125	2.0
170.10901	2.0
171.08025	2.4
172.08846	4.7
173.05977	2.2
173.09717	3.1
173.13278	20.5
175.11224	2.9
177.12724	9.8
181.08615	23.2
183.11815	4.1
185.13210	2.9
186.10422	5.8
187.11198	17.8
189.09038	1.6
191.07045	6.8
201.12778	14.0
205.06592	1.7
205.08745	1.7
205.12222	21.1
207.10080	1.8
209.08104	38.2
211.11238	2.7
219.13747	10.3
229.12260	10.5
247.13303	10.8
248.80843	1.6
256.02417	1.8
265.07043	3.7
265.14377	100.0
266.14688	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	265.1435
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
52.55507	0.9
53.03941	2.0
55.01870	2.2
55.05503	3.8
57.03431	1.1
57.07069	1.1
65.03933	2.0
67.05506	8.6
69.03438	5.5
69.07050	1.9
71.04983	2.9
71.30503	1.1
72.57216	1.0
79.05491	11.5
81.03408	3.7
81.07064	9.1
83.04967	4.5
85.02893	1.7
91.05472	15.8
93.03427	1.1
93.07043	13.0
94.04041	1.5
95.04965	22.4
95.08607	7.2
97.02887	1.3
97.06525	2.3
103.05481	2.6
105.03394	4.8
105.07033	33.9
107.03864	1.0
107.04943	1.3
107.08588	9.1
109.02873	3.0
109.06519	7.7
109.10159	2.1
111.04446	51.1
113.06042	1.3
115.05453	3.7
116.06239	1.4
117.07011	8.0
118.79341	1.0
119.03534	1.3
119.04948	1.0
119.08576	27.4
119.94634	1.0
121.02861	4.4
121.06493	10.8
121.10117	5.6
122.07115	3.5
123.04489	1.2
123.08071	2.5
128.06209	3.3
129.07001	7.2
130.07753	4.5
131.04967	1.2
131.08569	21.2
132.26138	1.0
133.06488	18.4
133.10110	6.4
135.04376	0.9
135.08025	5.1
135.11670	3.4
136.06186	85.0
137.04568	1.3
137.09634	2.0
141.06999	4.2
142.07776	3.9
143.08614	6.9
144.05656	1.3
144.09337	4.4
145.02843	1.9
145.06505	9.1
145.10120	19.3
146.07341	2.1
147.08044	35.4
147.11685	2.3
149.06050	2.3
149.09615	4.0
151.03841	1.2
151.07539	2.2
153.06935	2.3
154.07773	1.5
155.08542	3.0
155.10667	7.5
157.06497	3.1
157.10153	6.5
158.07256	11.1
158.10797	1.1
159.08052	24.9
159.11696	21.3
161.09630	5.8
161.13251	1.1
163.07545	4.3
165.09143	1.9
168.09398	1.9
169.10129	1.9
169.38492	0.9
171.08000	6.0
172.08855	8.3
173.09613	5.1
173.13280	7.0
175.07549	34.1
175.11230	2.1
176.07884	1.9
177.05469	4.3
177.09114	1.0
177.12805	1.5
181.06465	1.8
183.11684	4.4
185.09608	1.0
185.13309	2.9
187.11189	16.4
189.09108	10.5
191.07057	3.0
191.10616	1.8
193.08607	49.5
193.09921	1.9
194.08971	1.6
196.08823	4.9
196.76271	1.1
199.11108	1.8
201.12756	9.3
205.12299	3.1
207.10193	1.8
209.06136	1.0
211.11209	9.2
217.12230	1.9
219.13776	3.2
229.12276	9.5
234.13448	12.7
247.13289	13.0
265.03336	1.3
265.14352	100.0
266.16238	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	Enokipodin C
Peak:m/z	Relative Intensity
50.76815	0.5
53.03893	1.3
55.01824	0.7
55.05444	1.6
62.25238	0.5
65.03890	0.7
67.05428	3.8
68.94040	0.5
69.03355	3.6
69.07007	1.0
70.89427	0.8
70.89774	0.8
71.04926	0.7
79.05489	7.8
81.03340	1.7
81.07056	12.1
83.04914	1.3
83.08560	0.6
85.06491	0.6
91.05476	7.5
93.07045	7.0
95.04954	2.8
95.08593	5.9
97.06465	0.9
103.05394	0.6
105.03336	1.3
105.07036	7.6
107.04896	1.4
107.08598	3.7
108.79976	0.6
109.06525	5.7
109.10062	1.4
111.04402	0.9
111.07997	0.7
115.05342	0.8
117.07047	2.8
117.76627	0.5
119.04840	0.7
119.08579	3.8
120.08045	0.7
121.02778	2.2
121.06512	13.1
121.10139	3.7
122.07147	1.2
123.08067	7.8
125.05988	3.4
125.09560	0.7
127.07474	0.6
128.06178	1.3
129.06929	2.3
131.08565	8.8
133.10043	2.3
135.04387	1.5
135.08005	2.5
137.05984	1.1
137.09592	2.8
139.07530	4.4
143.08488	2.2
144.09328	0.7
145.06383	1.4
145.10121	3.3
147.08012	1.0
147.11681	0.7
149.09618	59.9
150.09923	1.7
155.08540	1.3
157.10089	1.2
159.08061	3.5
159.11705	4.7
161.09593	1.4
163.07468	1.3
163.11124	0.8
168.09293	1.4
169.09975	0.7
173.05936	0.8
173.09552	1.7
173.13287	6.8
177.09103	2.5
183.11700	2.8
185.09541	1.2
187.11089	2.1
201.10995	1.0
201.12752	13.7
205.06577	0.7
205.08582	1.6
205.12199	0.6
211.11139	0.9
219.13766	2.0
223.00250	0.6
229.12308	6.0
237.09004	0.7
247.13300	100.0
248.13701	3.0
265.08582	2.1
265.14359	33.2
266.14648	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	265.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05512	12.4
56.05033	1.0
57.05811	1.1
71.29353	0.3
72.08155	100.0
73.08497	1.1
79.05502	0.5
81.04536	0.3
89.03927	0.3
89.10797	0.4
91.05495	0.4
103.05473	0.9
106.04910	0.5
111.04425	0.3
117.03403	1.2
120.08104	17.6
122.07175	1.6
131.04959	0.4
134.05977	0.2
136.06169	2.2
144.04755	0.4
145.02831	4.1
147.04457	0.7
149.05978	0.9
163.03929	0.4
166.08644	11.0
177.05464	6.0
191.03467	0.3
219.14992	0.6
248.12903	0.6
265.03467	0.4
265.06738	0.2
265.10474	0.8
265.15445	3.7
266.16190	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	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
52.94860	0.6
55.05517	1.2
56.69775	0.6
67.05512	0.8
69.03450	0.6
69.07043	0.8
70.06570	0.6
72.08160	19.5
81.03435	0.8
81.04543	0.9
86.23389	0.6
89.03925	5.1
89.10796	12.9
91.05479	1.9
93.07065	0.8
95.05019	0.7
95.08624	0.9
97.02906	1.6
98.05984	0.6
105.07018	1.6
109.10155	0.7
115.08710	1.6
117.03382	24.3
119.04903	0.8
121.06503	1.4
122.07175	5.7
128.97232	0.7
131.04915	0.9
131.08574	0.7
131.55908	0.7
134.03639	1.8
135.04385	1.0
144.04765	1.4
145.02853	63.3
146.03183	2.1
147.04439	0.8
149.05980	9.7
159.08057	1.4
160.22807	0.7
163.03894	1.5
175.03955	0.6
175.07603	0.8
177.05475	100.0
178.05827	3.0
179.54555	0.6
181.04936	0.7
191.03484	0.8
217.08621	0.9
219.08534	0.7
248.12856	4.7
265.06903	3.7
265.15485	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	265.1549
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03942	0.5
55.05518	11.9
55.21037	0.2
56.05039	0.6
57.05828	1.3
69.67504	0.6
70.82095	0.2
72.08161	100.0
73.08499	1.0
74.45752	0.2
81.04537	0.3
98.22574	0.3
103.05492	0.7
107.04995	0.3
119.04987	0.3
120.08111	14.9
121.08478	0.4
122.07162	1.3
131.04968	0.5
136.06250	0.9
144.04825	0.3
145.02898	0.7
147.04469	0.6
149.06009	0.4
150.07730	0.2
166.08653	10.1
167.09036	0.3
177.05482	1.7
201.03250	0.2
219.15067	0.4
265.15482	2.3
266.16052	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	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
51.01083	1.1
52.14712	1.3
53.03937	2.6
55.01866	1.2
55.05513	57.0
56.68560	1.0
57.03424	4.5
57.07078	25.3
65.03944	1.4
67.05505	55.9
69.07068	85.9
69.83290	5.3
71.04984	5.4
71.08633	13.2
79.05495	28.3
81.07059	68.5
81.07473	1.1
83.04983	3.4
83.08617	63.0
85.06534	5.2
85.10168	6.5
91.05468	4.5
91.39834	1.0
93.07042	39.4
95.04946	2.7
95.08607	68.7
96.08957	1.2
97.06539	16.0
97.09541	2.0
97.10169	40.7
99.08108	2.7
105.07030	2.5
107.08598	23.1
109.10154	31.4
111.08073	14.5
111.11718	13.4
113.09674	1.4
119.08593	1.3
121.10146	58.6
122.07141	1.4
123.11716	10.3
125.09599	3.2
125.13260	2.8
133.55206	1.2
135.11696	43.0
136.12057	1.3
137.13246	2.5
139.11186	3.2
149.12151	1.8
149.13268	20.4
151.14809	5.1
153.12733	1.9
163.14825	8.2
165.16418	4.0
169.15898	2.0
175.20624	1.2
177.16333	2.4
182.60902	1.0
191.17992	2.4
206.46416	1.4
247.24217	37.5
265.25262	100.0
266.25583	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	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
53.08956	0.3
55.05491	0.4
57.03431	1.5
60.04525	0.5
61.08916	0.3
62.98697	0.3
65.90310	0.3
67.05505	0.4
69.03423	1.5
69.07082	0.5
69.93152	0.4
70.11042	1.0
79.05489	0.8
80.05014	0.5
81.03411	1.3
81.07047	0.8
83.05016	0.4
84.65279	0.3
85.02912	2.2
87.00827	0.9
91.05509	0.7
93.07075	1.8
95.05009	0.4
97.02891	1.2
98.06059	0.5
101.02368	2.4
103.05476	7.0
105.01897	0.7
105.07053	0.7
107.04953	0.6
108.04484	2.7
109.02895	1.0
115.05492	0.4
117.07075	0.4
117.21503	0.3
118.06548	3.0
119.03429	0.6
119.08572	0.4
120.08110	100.0
121.06521	1.0
121.08436	1.7
126.05534	1.7
127.03899	1.6
128.04997	0.6
131.04935	0.9
133.10178	0.3
136.59764	0.3
138.72310	0.3
145.05028	0.6
146.04924	0.7
146.06020	7.9
146.07214	0.4
151.86107	0.3
153.01874	0.3
163.07454	0.4
164.07051	3.2
166.08644	2.1
188.07016	3.0
192.06635	0.5
202.08670	1.2
206.08237	0.6
220.09697	33.2
221.10028	1.2
223.06612	0.4
234.14857	0.7
248.13559	0.8
249.14851	0.4
266.14905	0.7
266.17563	2.4
266.20377	0.4
267.15750	1.0
274.08099	0.4
279.61667	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	266.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
62.10988	0.4
65.03941	0.5
67.05502	2.8
68.67110	0.4
70.06591	0.6
71.05002	0.8
75.87637	0.4
79.05485	0.6
80.04987	0.4
81.03438	0.5
94.06569	7.4
95.05019	0.5
105.03371	0.4
105.07024	1.0
106.06561	1.7
110.06036	2.1
121.06540	0.8
122.06035	9.0
123.06816	14.3
134.06015	3.0
136.07547	0.6
137.08345	0.4
138.05507	36.7
140.07068	1.0
150.05508	30.8
151.06303	18.3
151.07542	1.0
152.07042	2.3
160.07616	1.5
162.09039	0.6
163.04025	1.2
164.07068	0.6
166.86551	0.4
168.06567	100.0
169.07336	5.5
174.09087	0.5
176.07137	0.5
177.07819	0.7
178.06216	0.5
181.05254	0.6
186.09193	0.5
193.01056	0.4
202.12231	1.4
203.14285	0.5
218.27495	0.4
220.13304	4.5
230.11813	1.8
248.12852	7.2
248.15215	0.3
266.13879	42.1
267.14221	1.2
267.84894	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	266.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.48987	0.3
57.03446	0.4
59.04996	0.8
61.02921	1.5
69.03429	0.5
71.05005	1.8
79.05492	0.8
81.07062	3.2
84.04502	0.6
85.02913	0.6
90.26794	0.2
91.05479	0.9
94.04031	1.4
97.02901	1.4
103.21842	0.3
106.06576	0.5
113.09628	0.3
119.03539	2.2
120.08109	0.6
127.11749	0.2
130.04991	0.7
134.06029	1.6
136.06184	100.0
137.04602	1.9
137.06516	1.2
150.07726	0.4
165.12451	0.3
234.13489	17.6
235.13718	0.7
237.99258	0.3
266.10336	1.8
266.16125	40.5
267.16391	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	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.05517	0.5
57.03433	0.4
57.97584	0.2
59.04999	0.9
61.02932	1.2
67.05479	0.3
69.03434	0.5
71.04994	3.5
71.28176	0.3
72.08160	1.6
73.02920	0.5
73.08486	0.6
79.05495	1.1
81.07062	4.0
85.02917	0.4
88.28608	0.2
91.05496	0.8
93.07035	0.9
94.04055	0.3
95.04977	0.3
97.02885	0.5
99.08112	0.4
103.05484	0.4
105.03392	0.2
105.07013	0.5
113.09641	1.4
116.18537	0.2
119.03540	1.7
119.04906	0.2
120.08096	0.4
121.06520	5.9
122.06033	0.3
130.06592	1.0
130.07393	0.2
132.04446	0.5
132.08067	0.5
134.05046	0.2
134.06036	1.0
136.06190	100.0
137.04597	1.5
137.06708	0.9
142.06522	0.2
146.03201	0.3
146.06029	0.7
146.44016	0.2
147.04378	1.0
150.05568	1.3
150.07758	3.8
158.06003	0.7
160.07658	0.4
162.05600	0.4
162.07773	0.2
163.03900	1.1
166.06528	0.2
168.06551	1.0
176.07045	0.3
178.05849	0.2
184.07594	0.8
188.07094	1.4
200.07155	0.3
212.07097	0.9
220.13440	0.3
230.08029	0.4
234.13501	1.4
248.09181	0.4
248.12779	0.4
248.15121	2.1
249.15050	0.2
266.10226	1.3
266.13770	4.1
266.16159	18.7
267.16483	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	266.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05513	12.1
56.05025	1.3
57.03434	1.0
57.07072	1.3
58.06610	0.7
67.05507	13.6
68.05032	0.9
69.07072	12.0
70.01467	1.5
70.06579	0.9
72.06694	0.4
73.34856	0.4
74.06082	0.7
79.05499	4.0
80.05021	0.5
81.03419	2.2
81.07059	14.2
82.06583	1.1
83.05003	0.7
83.08626	3.6
84.08144	2.2
85.06505	0.4
91.05466	1.7
93.07050	3.7
94.06564	0.6
95.04948	1.2
95.08607	9.7
96.08115	1.2
97.06509	1.4
97.08922	0.5
97.10172	1.1
98.06044	1.1
98.09689	0.7
99.08083	0.6
100.07637	2.1
105.07017	0.9
107.08598	2.9
108.08096	1.6
109.10157	3.7
110.09674	1.2
111.08094	0.5
112.07545	0.5
114.09156	1.9
119.08588	0.9
121.10143	1.5
122.09666	0.9
123.11711	1.1
124.11230	1.1
124.68832	0.5
128.10750	0.8
135.11624	0.6
136.11163	0.8
140.10715	1.8
142.96680	0.5
152.14359	0.9
154.12260	0.5
215.81662	0.4
220.20694	0.7
248.23711	0.9
266.24796	100.0
267.16040	0.5
267.25174	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	266.2478
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
53.03950	0.6
55.05515	12.6
56.05031	1.3
57.03438	0.8
57.07071	1.4
58.06602	0.6
65.03930	0.9
67.05141	0.4
67.05508	12.3
68.05032	1.0
69.07072	13.5
69.11130	2.7
70.06583	1.0
70.07405	0.4
71.07365	0.4
73.19370	0.4
74.06060	0.4
78.72503	0.3
79.05494	3.5
80.05008	0.5
81.06587	0.7
81.07059	11.9
82.06573	1.0
83.08617	3.0
84.08139	1.7
90.45099	0.3
91.05464	0.8
93.05769	0.5
93.07050	3.3
94.06586	0.5
95.08050	0.7
95.08613	9.2
96.08142	1.4
97.06550	0.9
97.10137	1.2
98.06042	0.9
98.09715	0.4
99.08087	0.5
100.07606	1.4
101.29093	0.3
105.07034	0.7
107.08596	1.3
108.08117	2.0
109.06536	0.3
109.10158	3.8
110.09666	1.1
112.07586	0.6
114.09203	2.4
119.08623	0.6
121.10179	0.6
122.09654	1.2
123.11718	1.0
124.11234	0.8
128.10696	0.7
131.61470	0.4
135.11673	0.4
140.10677	1.8
152.14339	0.5
162.13237	0.3
164.14500	0.4
168.13777	0.8
178.91238	0.4
182.15450	0.7
226.22359	0.4
227.95836	0.4
248.23848	0.5
266.24792	100.0
267.25171	4.6
280.04266	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	266.248
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
53.85003	0.2
55.05503	1.0
56.05028	0.5
56.10154	0.2
58.06596	0.3
60.68524	0.5
67.05499	0.9
69.07054	0.4
70.06599	0.5
71.08630	2.6
79.05480	0.8
80.05022	0.6
81.03409	1.0
81.07059	1.9
82.06553	0.9
84.08128	0.7
86.09695	0.6
89.93119	0.2
91.05494	0.4
93.07035	1.1
94.06587	0.5
95.08611	1.8
96.08121	0.5
98.09676	0.7
100.11208	0.3
105.07041	0.4
107.04925	0.2
107.08600	0.6
108.08118	0.7
109.08896	0.5
109.10172	0.3
110.09663	0.9
112.07616	0.8
112.11285	0.4
119.08591	0.3
121.10172	0.3
122.09685	1.2
123.10436	0.9
123.11678	0.9
124.11214	1.0
135.11711	0.5
136.11206	1.2
137.11992	1.2
137.13258	0.9
138.12752	0.3
150.12781	6.3
151.13609	0.4
152.14345	3.4
164.14359	1.3
165.15138	0.8
166.15924	11.7
168.13870	2.7
168.17526	1.7
178.15921	3.5
179.16652	0.5
180.17528	0.9
192.17482	6.9
193.18260	1.8
194.19165	1.1
210.18565	0.5
220.20554	1.5
222.22174	100.0
223.22508	3.1
224.23643	0.5
266.24796	85.3
267.15857	0.4
267.25165	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	266.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.36702	1.0
55.01868	1.9
55.05280	1.0
55.05516	12.8
57.03445	8.9
57.07071	2.6
67.05510	47.6
67.73815	1.0
68.05834	1.2
69.03446	2.2
69.07078	9.6
69.75368	1.9
69.75764	1.8
70.51899	0.8
71.04990	4.9
71.08636	12.3
79.05499	40.2
80.05809	1.0
81.03423	26.0
81.07061	37.0
83.04991	4.1
83.08614	6.7
85.06552	2.2
86.09705	2.7
88.11275	43.5
91.05482	19.2
93.07050	23.2
95.04975	12.2
95.08614	70.1
96.08940	1.4
97.06525	1.0
98.09676	1.6
105.06378	1.7
105.07041	21.8
107.04988	0.9
107.08599	38.8
109.06529	4.3
109.10166	36.6
109.11310	1.3
110.10524	1.4
111.08126	2.2
112.11256	7.9
117.07035	2.2
119.08578	21.1
121.10144	5.5
123.08111	7.1
123.11699	1.9
125.09505	0.8
129.07024	3.7
131.08542	3.2
133.10139	8.7
135.11700	5.1
137.09628	6.0
137.13170	0.9
146.03214	1.0
147.11710	2.8
147.58626	0.8
148.44701	0.9
149.09700	1.2
149.13264	16.5
151.14833	13.5
157.10126	2.4
161.13261	10.7
168.17496	24.8
175.11111	1.9
179.05995	1.6
179.14333	9.5
181.94174	1.0
184.70276	0.9
193.12251	3.7
196.17003	3.6
266.24802	100.0
267.15860	8.9
267.25159	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	266.248
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
52.85469	0.2
53.03961	0.4
55.05276	0.3
55.05516	3.0
56.05024	0.8
57.03451	1.0
57.06800	0.2
57.07079	4.9
58.06594	0.5
65.03960	0.2
67.05508	3.1
69.03415	0.2
69.07071	1.4
70.06599	1.5
70.92434	0.3
71.04987	0.4
71.08658	0.2
72.08144	0.2
79.05499	2.0
81.03420	3.1
81.07055	3.2
82.06562	0.9
83.04962	0.3
83.08604	0.8
84.08150	0.8
85.06540	2.9
90.32333	0.2
91.05482	1.2
93.07053	2.4
95.04964	0.9
95.08616	2.9
96.08136	0.6
97.02879	0.2
97.06614	0.2
97.10151	0.2
98.09680	1.4
99.08092	0.2
105.03387	0.5
105.07026	1.1
107.08591	1.5
108.08143	0.3
109.06513	0.2
109.10132	0.9
111.04436	0.3
111.08086	0.3
111.10464	0.3
112.11256	0.5
113.09673	0.3
117.05460	0.2
119.08603	0.9
120.08102	0.3
121.06495	0.2
121.10158	0.4
122.09686	0.2
124.11227	1.8
129.07030	0.3
131.08606	0.3
133.10120	0.5
134.09618	0.2
145.10117	0.2
147.11649	0.4
149.09645	0.2
149.13304	0.4
150.12794	0.3
152.14352	5.9
153.12753	0.4
155.24178	0.2
157.10103	0.3
173.19868	0.2
175.11240	0.4
175.14854	0.2
178.15958	0.4
193.12238	0.4
194.19038	0.3
212.20064	0.6
224.20116	0.8
248.23741	3.5
266.24789	100.0
267.15833	1.4
267.25150	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	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.4
51.02387	0.9
52.62130	0.3
53.03947	6.7
53.88293	0.3
55.01855	0.5
55.05510	0.7
57.03438	2.2
61.02925	0.5
67.05494	1.1
69.03429	6.1
69.07057	0.4
69.34014	1.3
69.34428	0.5
70.27567	0.3
71.04984	0.6
73.02911	0.3
77.03929	1.1
79.05495	7.8
80.68362	0.3
81.03416	9.6
81.07048	1.9
83.04998	0.7
83.08624	0.9
85.02904	9.7
85.80487	0.3
86.03170	0.3
91.05485	1.3
93.07053	1.0
95.04965	6.2
95.08608	1.0
97.02901	2.5
97.06549	0.3
99.04450	1.0
105.03391	100.0
105.04539	2.7
105.07013	1.0
106.03695	1.7
107.04919	0.3
107.08562	0.3
109.02871	2.8
109.06551	0.4
109.68548	0.3
119.08568	1.1
123.04427	7.7
123.11684	0.3
124.03932	0.4
127.03902	2.6
129.06976	0.4
131.08563	0.3
133.06483	0.4
136.06226	0.5
137.05969	0.4
145.04965	0.5
147.11717	0.6
168.95544	0.3
175.11205	0.9
193.12262	0.9
193.43858	0.4
249.07585	1.0
267.08777	0.5
267.15842	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	267.0865
Annotation	Diaportinol
Peak:m/z	Relative Intensity
53.03939	2.3
55.01870	5.1
56.05040	1.6
57.03427	0.7
65.03943	1.3
67.05524	1.0
69.03424	0.8
70.06582	1.2
71.30586	1.0
79.05490	2.9
81.03419	22.9
81.07067	0.7
83.01321	0.7
84.04508	21.2
85.02920	1.1
88.04005	0.8
91.05491	6.4
93.03404	0.7
93.07058	6.1
95.04958	3.1
95.08611	0.9
97.02912	0.8
98.98511	0.8
99.29277	0.6
103.05482	7.9
105.03402	1.3
105.07033	7.3
107.04953	7.1
114.45131	0.7
115.05445	3.0
118.04144	1.9
119.04934	1.6
120.04501	1.5
121.02879	1.9
121.06506	100.0
122.06881	2.0
123.04378	1.1
128.10019	0.7
130.05016	13.8
131.04939	4.5
132.05730	1.4
133.06485	6.3
134.04510	0.7
135.04410	1.9
136.06187	23.5
138.03168	0.7
138.09138	13.7
140.04695	0.8
143.04930	0.8
146.03627	5.3
147.04420	6.6
149.05968	3.4
150.05527	1.1
151.01926	0.7
153.05470	1.6
157.02757	0.8
159.04420	3.2
160.05229	2.2
161.05974	7.4
162.03123	2.7
163.03896	5.2
167.07047	0.8
170.05685	1.8
174.03114	2.2
175.03891	1.8
177.05489	9.0
178.06183	0.9
179.03421	1.2
181.04974	1.0
181.96661	0.7
183.06554	2.1
187.03900	1.3
188.04712	3.7
189.05405	5.8
191.03445	2.7
192.04211	4.6
193.04904	1.7
193.08670	1.1
194.05728	1.1
195.06540	3.8
204.04178	0.9
205.04980	7.9
205.08607	0.9
206.05737	4.0
207.06535	19.8
208.07007	0.7
209.08150	1.7
216.04131	2.2
217.04961	2.6
219.02927	0.7
220.07266	5.6
221.04512	1.1
221.08041	6.2
221.12851	4.7
222.05287	2.4
222.55827	0.7
234.05272	3.3
235.05984	5.3
236.06503	0.9
237.07545	3.5
249.07585	25.0
250.08139	1.1
250.10701	13.5
262.03168	1.5
267.08643	3.6
267.13373	6.4
270.46912	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	267.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02385	0.6
52.63461	0.3
53.02060	0.2
53.03949	7.0
55.01868	1.2
55.05502	1.0
55.28114	0.3
57.03433	3.2
61.02922	0.5
64.81927	0.3
67.05505	2.1
69.03434	10.5
69.03819	0.6
69.07054	0.8
69.24729	1.0
69.25136	0.9
71.04980	1.4
73.02909	0.7
77.03922	1.5
79.05493	6.7
80.85104	0.3
81.03422	37.7
81.07064	2.2
83.04993	1.0
83.08624	1.9
85.02427	0.6
85.02911	8.1
87.04480	0.5
91.05473	2.5
93.07033	1.7
95.04971	8.7
95.08611	1.3
97.02902	3.9
97.06539	0.4
99.04454	2.6
105.03395	100.0
105.04543	3.2
105.07018	2.1
106.03707	2.3
107.04951	0.6
107.08601	1.1
109.02882	12.1
109.06502	0.7
109.10130	0.5
111.04442	0.4
111.08078	0.8
117.07002	0.3
119.08610	1.9
121.06487	0.3
121.10130	1.1
123.04448	5.7
123.08047	0.4
125.09677	0.4
126.67575	0.4
127.03930	4.8
129.07019	0.9
130.06541	0.6
131.08578	1.2
133.10136	0.8
135.08098	0.3
135.11697	0.3
136.06303	0.4
137.09639	0.5
145.04982	0.5
145.10150	0.7
147.08026	0.4
147.11700	1.2
148.72835	0.3
149.09645	0.7
156.08015	0.3
157.10159	0.9
167.07256	1.2
168.08099	3.7
173.42126	0.3
175.11156	0.9
180.08092	5.5
193.08870	1.2
193.12277	1.5
194.09642	1.0
208.11244	2.2
211.13322	0.4
212.06926	0.4
214.28531	0.3
222.12816	1.5
248.94626	0.3
249.07576	11.5
249.14745	0.4
250.07983	0.6
251.83549	0.3
267.08713	0.4
267.11996	0.6
267.15933	5.7
267.19022	0.4
268.13339	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	267.1205
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
53.03933	1.0
55.01876	0.9
55.05506	1.9
55.68551	0.4
57.03436	4.2
67.05505	4.3
69.03423	1.1
69.07063	1.6
70.85801	0.9
71.04987	0.8
72.10484	0.4
79.05493	4.6
81.03421	22.3
81.07066	4.8
83.04987	1.6
83.08623	4.0
85.06517	0.7
87.04462	0.6
91.05489	6.0
93.07059	3.7
95.04982	5.4
95.08617	2.5
97.02885	0.7
97.06561	0.7
99.04491	0.7
105.03402	3.9
105.07045	3.9
107.04967	1.1
107.08603	1.6
109.06526	1.3
109.10166	1.9
111.08067	1.6
117.07011	0.4
119.08578	3.4
119.46692	0.4
120.08106	0.6
121.06467	0.9
121.10164	1.4
123.08092	1.0
123.11709	0.7
124.03975	0.7
129.07024	2.5
131.08597	2.1
133.10132	1.9
136.06186	1.2
137.09653	0.6
142.07764	1.0
145.10109	0.7
147.08047	0.9
147.11650	2.6
149.09637	1.2
153.01810	0.6
157.10164	1.7
161.09596	0.5
163.11189	0.5
165.12648	0.7
171.11766	0.6
175.11241	1.9
176.30504	0.4
193.12247	3.6
205.12033	1.2
207.09982	0.7
211.13353	0.9
227.35338	0.4
231.13823	0.5
249.11026	0.6
249.14850	0.9
267.12039	100.0
267.15829	8.4
268.12408	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	267.1228
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.93242	6.4
55.82254	5.8
70.79111	6.5
72.88593	6.7
74.41924	6.0
75.58505	7.0
98.22559	12.0
119.47174	5.8
128.06238	8.1
129.07033	12.8
131.08549	14.3
142.07834	6.9
144.05685	12.3
157.06522	10.5
159.08064	28.0
170.07272	9.5
187.07536	20.7
204.07910	12.2
225.51396	7.2
229.09912	6.9
249.11183	100.0
250.11630	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	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04871	3.4
53.99862	3.2
55.05508	5.5
67.05495	7.5
68.74875	4.0
69.07095	5.6
69.17021	33.1
69.17352	7.7
71.78880	3.8
81.03423	8.1
81.07056	9.4
83.08568	3.5
91.05482	18.2
93.07063	8.8
95.04982	5.0
95.08623	7.3
97.02894	6.0
105.07043	13.0
107.04973	7.5
107.08597	9.7
109.06522	4.7
117.07022	9.0
119.04951	15.2
119.08601	12.8
121.10162	5.1
123.11681	3.8
124.03971	6.6
128.06212	9.0
129.06999	11.0
131.08577	22.8
133.02893	5.7
133.06523	4.9
133.10129	12.0
135.04370	5.3
136.06229	4.9
137.02361	6.6
137.09628	4.4
139.03981	5.4
141.06885	4.6
144.05722	6.6
145.06522	5.2
145.10110	4.2
147.04425	25.0
147.11516	4.5
151.03922	12.7
151.07472	4.1
153.01826	34.0
157.06537	5.8
159.08054	28.7
161.06042	6.0
161.09637	12.0
163.03903	14.8
165.01857	7.0
165.05533	8.4
171.08008	6.4
172.05205	4.3
173.05930	6.0
175.03891	20.7
179.03380	47.1
183.02882	10.1
187.07571	12.9
189.09123	13.8
189.12863	4.8
191.03412	26.5
193.04977	14.2
195.02948	17.1
203.14319	5.8
204.07811	8.5
207.02939	43.2
209.04500	22.2
221.04420	9.9
221.11797	5.1
231.03018	5.0
231.10040	5.8
231.13889	9.3
249.03964	12.3
249.11229	100.0
249.14885	12.1
267.04858	37.6
267.15857	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	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.4
55.47097	4.3
67.05504	14.7
69.03426	16.7
69.07066	8.3
70.96130	4.6
79.05483	14.3
81.03423	13.5
81.07069	16.0
83.04963	7.6
83.08608	6.8
87.04462	8.5
91.05481	23.8
93.07051	13.1
95.04984	12.7
95.08603	14.1
97.06565	6.2
98.98483	5.3
99.04447	8.7
105.03394	14.3
105.07027	21.6
107.04984	6.9
107.08607	18.5
109.10143	17.9
115.03931	6.8
116.22505	5.3
117.06985	8.6
119.08584	43.6
121.06534	9.9
121.10128	27.0
123.11745	8.5
124.03959	28.7
128.06264	6.4
129.06990	13.0
131.08566	15.3
133.06503	6.6
133.10147	19.6
135.08104	5.8
135.11668	12.5
136.06161	11.0
137.09636	17.7
143.08522	7.0
144.05817	4.4
145.06427	7.1
145.10098	5.8
147.08105	7.6
147.11684	9.5
149.09656	8.2
151.07544	7.6
153.01852	5.9
157.06525	7.3
157.10089	5.4
159.08093	16.6
161.09656	10.5
161.13298	7.3
167.07056	8.0
171.11708	5.2
173.13194	4.7
175.11180	6.1
185.13298	9.3
187.07585	17.1
189.09126	8.8
189.12799	8.6
197.04454	14.3
203.14220	10.7
204.07852	5.7
215.01054	4.7
219.10178	8.4
221.15430	7.0
231.10152	6.0
231.13756	29.0
249.07440	5.6
249.11229	100.0
249.14851	34.4
250.11635	7.4
267.12180	6.8
267.15881	34.8
268.08051	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	267.1338
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
51.30554	0.4
53.03926	0.5
55.50238	0.3
56.05033	3.9
57.03432	0.5
68.17344	0.3
70.38061	1.0
74.05667	0.7
74.06078	13.4
84.04503	24.3
85.02893	0.7
90.83167	0.4
91.05463	2.6
93.07043	5.3
94.91367	0.4
95.04958	0.6
102.05531	0.8
103.05460	3.2
105.04548	0.3
106.67509	0.4
120.04446	0.6
120.08100	8.7
121.06499	100.0
122.06802	2.1
130.04016	0.7
130.04997	14.2
136.06195	3.4
138.09129	14.0
166.08632	6.0
215.89177	0.4
221.12828	6.0
249.12309	0.6
250.10751	13.7
251.11281	0.4
267.10733	0.6
267.13409	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03954	4.0
53.83458	0.6
55.01878	2.4
55.05512	7.5
57.03441	22.4
67.05510	12.4
69.01033	4.7
69.01442	2.1
69.03426	1.5
69.07070	2.0
71.04987	1.4
79.05502	13.1
81.03419	100.0
81.07057	11.9
82.03758	1.0
83.04966	4.4
83.08626	15.0
86.27352	0.7
91.05483	16.9
93.07055	8.0
95.04974	20.4
95.08606	4.1
97.02887	2.2
97.06561	1.5
97.10185	1.6
98.23364	1.7
105.07032	12.9
107.04955	6.1
107.08604	4.0
109.06531	3.2
109.10167	1.0
111.04478	1.2
111.08072	6.7
115.05455	1.5
117.07018	1.9
119.08585	11.8
121.06487	1.9
121.10151	4.6
123.08083	2.2
129.07005	7.3
131.08572	5.9
133.06491	2.9
133.10158	3.8
135.08012	0.9
137.09666	0.8
142.07779	1.9
145.10101	1.3
147.08066	2.0
147.11694	7.0
149.09636	3.5
157.10117	7.0
165.12778	1.4
175.11157	8.1
178.48750	0.7
193.12253	17.3
211.13255	1.7
238.27016	0.6
249.14925	1.2
267.15909	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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03951	4.0
54.55365	3.2
55.05507	5.8
57.03436	17.3
57.86047	3.7
61.31186	3.2
66.62534	3.1
67.05518	11.4
71.04976	3.5
71.31329	6.2
77.79356	3.9
79.05484	9.5
81.03418	100.0
81.07056	10.9
83.08625	13.0
85.84489	3.4
91.05472	14.4
93.07055	6.5
95.04964	22.0
95.08605	4.4
98.98449	6.2
105.07013	12.1
107.04973	6.6
111.08133	5.0
117.57890	3.2
119.08596	10.2
121.10117	6.8
129.06987	8.0
131.08575	8.1
133.10161	4.3
136.06166	6.1
147.11658	10.2
157.10114	9.2
170.90512	4.0
175.11163	6.6
193.12302	13.2
195.37074	4.0
205.37274	3.9
267.15860	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03946	8.0
55.05509	6.9
57.03441	15.5
67.05511	8.3
69.03426	3.5
69.87700	11.7
69.88116	5.5
70.34971	3.2
71.05006	3.4
79.05505	10.6
81.03423	100.0
81.07070	8.5
83.04990	4.5
83.08619	13.0
89.15282	3.1
91.05507	13.7
93.07056	7.9
95.04978	18.0
95.08591	4.5
98.98432	4.4
105.07037	11.3
107.04986	5.4
111.08091	4.2
115.88630	3.4
119.08602	10.0
121.10152	6.0
125.88659	3.9
131.08640	7.7
147.11745	4.8
149.09586	4.1
154.06746	3.9
157.10130	7.5
172.11555	4.5
175.11148	4.7
193.12276	15.6
210.85056	3.6
243.39801	3.5
267.15854	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03945	4.6
55.01878	2.3
55.05519	6.6
57.03442	20.7
65.03908	0.7
67.05501	12.1
69.03437	2.3
69.07055	3.7
71.04992	1.6
79.05499	11.7
81.03422	100.0
81.07056	12.5
82.03751	1.8
83.04983	5.4
83.08623	13.7
91.05486	14.0
93.07047	8.2
95.04977	22.8
95.08600	3.7
97.02911	2.3
97.06541	0.9
97.10179	1.6
98.98466	1.5
103.05436	1.3
105.07040	12.9
107.04957	6.2
107.08607	2.3
109.06529	3.2
109.10156	0.9
111.04430	1.9
111.08089	6.2
115.05528	0.9
117.06987	1.1
119.04964	0.9
119.08592	10.9
121.06509	2.4
121.10129	5.2
123.08043	1.7
123.11746	0.9
125.09602	0.9
129.06995	7.5
131.08569	6.5
133.06505	3.4
133.10127	5.2
136.06165	2.3
137.09590	1.3
142.07809	1.6
145.10114	1.1
146.59186	0.7
147.08064	2.6
147.11688	6.9
149.09592	3.5
157.10135	7.9
161.13432	0.8
165.12762	2.1
175.11200	7.3
193.12239	16.7
211.13319	3.1
229.04395	0.8
245.82159	0.7
249.14821	1.2
267.15915	38.6
268.16296	1.8
282.26880	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.02393	0.7
53.03943	4.5
55.01863	1.1
55.05507	7.1
57.03435	19.3
57.07061	0.6
60.66917	0.5
67.05505	9.8
69.01340	3.9
69.01745	1.4
69.03423	1.9
69.07067	1.9
71.01338	0.7
71.05007	1.1
76.10777	0.5
79.05491	11.5
81.03416	100.0
81.07054	11.4
82.03712	0.7
83.04984	5.3
83.08140	1.2
83.08615	13.5
91.05478	17.4
93.07038	7.4
95.04964	18.8
95.08598	3.5
97.02879	1.6
97.06519	0.6
97.10172	1.3
98.22577	1.4
99.08105	0.8
104.29986	0.5
105.07024	12.7
107.04943	5.6
107.08598	3.0
109.06514	3.1
109.10137	1.5
111.04439	0.7
111.08077	4.8
115.05453	1.2
117.07046	0.9
119.08580	10.0
121.06508	2.1
121.10149	4.2
123.08102	1.2
129.06999	8.5
130.43192	0.5
131.08566	6.2
133.06476	2.4
133.10127	3.7
136.06192	1.6
137.09647	1.0
142.07774	2.0
145.10112	1.0
147.08018	2.2
147.11665	5.6
149.09566	3.3
157.10129	8.2
159.47919	0.5
165.12747	1.7
175.11194	8.8
193.12234	15.8
194.12358	0.7
194.66165	0.5
211.13286	2.1
211.32539	0.7
234.71687	0.7
249.14943	1.0
267.15891	34.6
268.16263	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	267.1591
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.58999	0.5
53.03944	3.7
55.01876	2.3
55.05515	6.4
57.03439	20.2
65.03941	0.8
67.05508	11.7
68.26658	0.4
69.03427	2.2
69.07079	2.5
71.04990	1.8
73.15421	0.5
79.05092	0.4
79.05492	13.1
81.03419	100.0
81.07057	12.1
82.03757	0.9
82.07409	0.6
83.04982	5.4
83.08621	12.7
85.06544	0.9
91.05484	15.7
93.07052	7.3
95.04969	20.1
95.08629	4.6
97.02892	1.9
97.06528	1.2
97.10178	1.6
98.22559	1.0
103.05492	0.6
105.07036	13.3
107.04949	4.1
107.08588	3.8
109.06526	3.5
109.10146	1.3
111.04455	1.1
111.08076	6.2
113.06055	0.7
114.53341	0.4
115.05430	0.7
117.07056	1.3
119.04919	0.7
119.08578	11.6
121.06492	2.5
121.10155	4.1
123.08067	1.6
123.11719	0.7
129.07013	6.9
131.08572	7.4
133.06502	2.1
133.10129	4.3
136.54395	0.5
137.09615	1.3
140.45335	0.6
142.07788	1.8
145.10139	1.5
147.08084	2.9
147.11690	6.4
149.09621	4.0
157.10132	8.0
159.46739	0.5
163.11147	1.1
165.12746	1.7
175.11168	9.1
193.12256	19.0
211.13301	2.5
249.14783	1.0
267.15903	38.4
268.16357	1.5
273.43027	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	267.1591
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.02377	0.5
53.03949	4.2
55.01867	2.2
55.05513	7.4
57.03437	20.7
57.07080	1.0
59.53280	0.5
65.03932	1.0
65.69957	0.5
67.05143	0.7
67.05508	14.5
69.03430	2.6
69.07061	4.3
71.04986	1.3
79.05493	15.3
81.03420	100.0
81.07057	14.7
82.03741	1.3
83.04981	5.6
83.08149	0.9
83.08621	13.2
85.02892	1.0
85.06557	1.0
91.05485	19.3
93.07044	9.5
95.04362	1.1
95.04973	22.5
95.08607	6.6
97.02896	2.0
97.06538	1.5
97.10166	1.7
103.05446	0.8
105.07034	14.9
107.04972	5.4
107.08594	3.4
109.06532	3.7
109.10160	1.8
111.04443	1.9
111.08082	6.8
115.05473	1.7
117.07001	1.3
119.04934	0.7
119.08587	13.6
121.06499	2.0
121.10141	5.7
121.80710	0.6
123.04431	0.5
123.08080	1.5
123.11697	1.3
125.09599	0.8
125.27575	0.6
125.50658	0.6
129.07013	8.5
131.08560	8.0
133.06479	2.3
133.10144	4.8
135.11700	0.9
136.06187	1.9
137.05986	0.6
137.09622	1.7
142.07791	2.3
145.10115	1.1
147.08058	2.2
147.11676	9.7
149.09627	3.9
157.10138	8.8
163.11160	0.9
165.12750	2.4
175.11174	9.2
183.11749	0.6
192.18745	0.5
193.10567	1.1
193.12253	17.3
194.12570	0.7
211.13289	1.9
249.14873	1.3
267.15912	38.1
268.16260	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03954	3.2
55.01880	2.3
55.05505	5.8
57.03442	21.1
67.05512	12.0
69.07066	4.2
71.30802	3.7
79.05490	12.0
81.03423	100.0
81.07067	9.8
83.04983	4.4
83.08617	14.6
91.05486	18.4
93.07060	10.0
95.04973	24.2
95.08604	5.6
97.02871	2.5
97.10185	3.0
98.98479	4.0
103.48342	1.9
105.07054	15.7
107.04966	5.7
107.08579	2.5
109.06533	3.0
111.08102	4.9
119.08607	9.6
121.10150	6.0
129.07021	7.6
131.08575	5.7
133.06488	3.2
133.10141	5.2
136.06187	6.9
137.09659	1.9
137.57483	1.9
147.08000	2.0
147.11685	7.3
149.09648	3.6
157.10121	6.8
175.11229	6.1
193.12242	18.8
267.15894	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03937	3.9
55.01867	1.5
55.05510	5.0
57.03163	1.3
57.03439	20.3
60.91970	0.9
67.05510	10.5
69.03412	2.4
69.07065	2.9
71.04982	2.2
76.19634	0.8
79.05492	12.0
81.03420	100.0
81.07053	11.5
82.03753	1.1
83.04975	5.7
83.08618	13.5
91.05483	17.0
93.07034	7.7
95.04968	20.0
95.08619	6.7
96.05319	1.0
97.02882	2.3
97.10184	2.0
98.98489	1.3
100.48372	1.0
105.07032	11.0
107.04953	5.1
107.08594	3.4
109.06506	2.4
109.10163	1.6
111.08054	5.2
115.05436	1.0
119.08583	9.7
121.10138	2.6
123.08010	1.5
129.07011	6.3
131.08571	6.7
133.06477	2.5
133.10123	3.1
136.06165	2.6
137.09598	1.1
142.07761	1.4
145.10135	1.0
147.08028	2.7
147.11690	6.0
149.09607	3.6
152.63774	0.9
157.10146	6.6
165.12758	0.9
175.11215	6.3
193.12236	17.3
211.13161	1.8
237.15016	1.0
240.25478	1.1
249.14771	1.5
259.70746	0.9
267.15900	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03951	3.8
55.01871	2.3
55.05512	7.7
57.03445	19.8
57.07059	0.6
65.03958	0.9
67.05511	16.8
69.03435	2.7
69.07069	4.4
70.29109	0.7
70.29421	0.9
71.01342	0.5
71.04990	2.9
73.28227	0.5
75.29258	0.5
75.57749	0.6
79.05496	16.4
81.03422	100.0
81.07061	18.9
82.03759	1.1
83.04987	5.9
83.08627	13.6
85.02905	0.8
85.06535	1.8
91.05486	21.2
93.07047	10.4
95.04973	23.6
95.08614	8.2
97.02907	1.7
97.06544	2.7
97.10181	1.6
99.04448	0.7
99.08076	1.1
105.07034	17.1
107.04966	5.0
107.08595	5.8
109.06506	4.2
109.10168	3.2
111.04439	1.9
111.08080	6.1
113.06017	0.7
115.05441	1.3
117.07026	2.0
119.08588	14.6
120.56419	0.6
121.06498	2.9
121.10151	5.7
123.08080	2.1
123.11706	2.0
125.09645	0.9
128.06218	1.1
129.07001	8.4
131.08580	7.5
133.06528	2.9
133.10130	6.6
135.11714	1.0
136.06203	3.1
137.09648	1.7
142.07745	2.6
143.08527	0.9
145.10141	1.6
147.08037	3.1
147.11705	8.7
147.12793	1.1
149.09624	4.5
152.14345	2.0
153.14688	2.6
155.08577	0.6
157.10150	10.2
159.11702	1.1
163.11212	1.0
165.12726	3.0
171.11742	0.9
173.13222	0.6
175.11206	8.4
185.13310	0.9
189.12787	0.7
193.12242	18.7
194.12624	0.8
197.13203	0.6
205.12270	0.6
211.13213	1.8
211.14909	1.3
213.12820	0.5
222.22246	0.6
223.13385	0.7
223.22539	7.1
231.13788	0.7
249.14897	2.5
249.18553	0.7
250.25307	8.6
267.15915	42.7
267.20914	2.1
267.25101	11.5
268.16635	2.7
268.26340	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	267.1592
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
51.63651	1.0
55.01883	5.3
55.05512	3.4
57.03440	4.3
57.07094	1.3
65.03950	1.5
66.47716	1.1
67.05507	9.8
67.60593	1.0
69.03433	5.1
69.07071	4.7
69.99031	1.0
71.01368	2.7
71.04984	2.7
71.30497	1.0
73.30756	1.1
79.05506	9.4
81.03416	10.8
81.07056	10.2
83.04985	2.2
83.08625	2.9
85.06530	1.2
87.04482	10.2
91.05487	14.4
93.07052	19.4
95.04977	7.6
95.08611	19.3
97.06542	4.4
98.98452	1.3
99.04499	2.4
99.08099	1.3
102.26368	1.1
105.07022	11.8
107.04983	1.2
107.08604	54.0
109.06513	6.5
109.10154	11.5
111.04368	1.9
111.08093	1.9
113.06028	8.9
115.03942	13.5
117.07012	2.7
119.08589	100.0
120.08921	1.7
121.06512	12.6
121.10151	3.9
123.08077	3.0
123.11724	2.8
125.05997	5.9
129.06990	2.0
131.08563	4.7
133.06529	1.6
133.10141	66.6
134.10512	1.4
135.08070	3.7
135.11707	15.2
136.06197	3.1
137.09607	12.2
140.59952	1.1
141.05499	3.7
142.07799	1.6
143.08582	2.8
145.10126	4.0
147.08072	3.3
147.11667	4.5
149.09647	3.0
151.07632	1.0
156.09346	3.9
157.10124	5.8
159.11726	6.8
161.09636	5.0
161.13283	3.5
167.07068	5.1
170.10965	2.7
171.11705	14.8
174.39986	1.0
175.11261	2.0
175.14729	1.9
177.12764	1.8
185.13257	7.6
187.11255	3.9
189.12744	11.9
193.12265	2.1
203.14383	8.3
207.07983	2.0
207.13889	2.0
213.12704	2.7
219.13832	1.2
221.15388	3.3
231.13821	38.0
232.14020	2.3
249.14867	22.7
249.18674	1.4
250.25337	1.5
267.10095	4.1
267.15933	31.6
268.16296	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	267.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91033	0.3
53.03928	0.5
56.05031	0.5
56.96573	0.6
59.05013	2.4
59.93505	0.3
60.55442	0.3
65.69371	0.3
67.05476	0.4
68.72459	0.3
69.03439	0.4
69.48044	1.4
74.06088	1.7
76.74059	0.3
81.07050	0.4
84.04496	0.4
84.08131	0.4
85.02888	0.6
87.04468	2.7
91.05465	1.6
93.07027	2.2
94.06618	0.4
102.05540	1.2
103.05473	6.3
105.05505	0.9
111.01215	0.3
111.46510	0.3
120.06634	3.7
120.08107	100.0
121.06505	7.0
121.08442	1.9
122.06055	0.7
130.04990	0.8
134.09653	1.4
136.06198	6.9
150.05508	7.0
163.04051	0.4
176.10742	0.4
178.65021	0.4
187.67963	0.4
216.41687	0.4
218.09625	0.3
220.01961	0.3
222.13289	0.3
226.45551	0.3
244.99687	1.1
249.12379	1.7
262.03311	0.4
263.00800	1.2
267.05151	0.4
267.13409	2.2
268.11368	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.78745	0.1
54.40915	0.1
55.01880	0.4
56.73881	0.1
57.03442	0.7
69.03430	0.3
69.57524	0.3
69.57938	0.5
71.01353	0.3
71.12721	0.1
73.02916	0.4
75.04530	0.1
80.85159	0.2
85.02895	0.4
94.04072	0.3
107.50399	0.2
111.73634	0.1
115.03939	0.3
119.03551	1.0
136.06189	100.0
137.04605	0.6
137.06618	1.4
258.19934	0.1
268.10413	5.7
269.10837	0.1
281.03207	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	268.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.61472	0.4
57.03423	1.2
65.33013	0.4
70.67741	0.4
71.28988	0.4
85.02908	15.4
91.05489	3.1
93.07048	5.9
95.04950	0.8
97.26804	0.4
97.49256	0.4
103.05474	3.7
105.04572	0.6
105.07014	0.6
121.06507	100.0
122.06856	1.6
131.03427	0.6
132.04416	0.4
135.69493	0.4
136.06183	3.5
138.09140	17.3
204.10156	3.3
206.11818	0.5
222.11256	24.9
223.11557	0.5
268.05981	0.6
268.11813	7.5
268.16312	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	268.1334
Annotation	Assoanine
Peak:m/z	Relative Intensity
53.03941	0.5
55.05509	1.9
55.66146	0.4
57.07069	2.1
63.80587	0.4
65.03925	0.7
67.05502	1.4
69.07086	0.6
69.45218	2.3
79.05497	5.2
81.03425	1.3
81.07060	8.3
83.04989	0.6
91.05481	2.8
92.43548	0.5
93.07057	0.8
95.04956	0.8
95.08610	1.2
98.23392	0.6
103.05453	0.6
105.03418	1.1
105.07033	5.8
106.03711	0.6
107.08604	1.1
109.06536	1.5
115.05494	0.8
115.31720	0.4
117.05776	1.5
117.65032	0.5
118.06571	0.8
118.24044	0.5
119.04873	0.5
120.97777	0.4
124.03970	0.6
127.91472	0.6
127.97952	0.4
129.06998	2.0
130.06531	20.6
131.07364	0.7
133.06514	0.7
136.06183	2.2
139.85832	0.6
142.06503	0.6
143.07315	2.0
144.08055	2.6
152.06241	0.6
153.06955	0.8
154.06520	6.6
155.07297	2.5
156.08078	2.9
158.06021	1.9
165.06992	1.3
166.06517	0.6
166.07803	1.5
167.07312	21.7
167.08534	1.5
168.08096	73.0
169.08589	2.8
170.06004	1.0
170.09586	0.6
171.06828	0.9
179.07314	1.1
179.11929	0.4
180.08089	100.0
181.08766	6.5
181.10300	0.6
182.06018	0.8
182.09659	5.9
183.10439	0.8
184.07590	1.4
188.07004	0.6
189.07846	0.8
192.08044	4.4
193.08881	25.3
194.06029	4.0
194.09663	24.0
195.10416	3.4
196.07501	0.5
196.11177	1.0
198.09210	1.0
198.12828	1.3
200.07040	2.2
206.09659	3.8
207.06921	0.8
207.10440	6.0
208.07657	2.8
208.11217	48.9
209.11835	3.4
212.07100	3.2
213.07881	7.5
214.08525	0.6
217.08833	0.8
220.07608	1.6
221.08359	2.0
222.12787	33.0
223.13249	1.9
224.14316	3.3
226.08641	4.1
226.12282	1.3
232.11147	1.0
234.09094	0.7
235.09915	0.9
238.08662	1.0
239.09399	1.6
240.14037	0.5
245.13065	0.5
250.12265	8.4
253.17763	0.6
268.13336	45.5
269.13724	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	268.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02082	0.3
54.76564	0.3
55.05516	3.8
57.03433	1.6
57.06800	0.4
57.07076	6.6
58.06604	8.9
62.56148	0.3
65.03927	0.5
67.05508	9.4
69.07066	3.5
71.04977	0.6
71.08636	2.0
72.08141	1.4
79.05492	2.6
81.03409	0.8
81.06586	0.7
81.07060	13.8
82.03745	0.4
82.41702	0.4
83.08621	2.2
84.08187	0.3
85.06547	5.0
85.10177	4.9
88.91531	0.3
91.05482	0.9
93.07048	3.1
95.04933	0.6
95.08603	7.5
97.10171	0.7
98.09703	0.4
99.08089	1.6
105.07027	0.5
107.08597	2.5
109.10185	2.1
113.09644	5.3
121.10119	2.2
123.11715	2.0
124.11217	0.6
127.11189	0.4
135.11702	1.3
136.06171	3.3
141.12753	0.6
149.13263	1.1
163.14822	0.5
233.22498	0.4
250.25331	3.4
268.26352	100.0
269.26730	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	268.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93236	0.3
52.48557	0.3
53.03912	0.3
55.05516	4.2
57.03429	1.1
57.07077	13.6
58.03752	0.4
58.06604	9.0
65.03918	0.3
67.05511	6.7
68.05836	0.3
69.07070	4.4
70.58322	0.6
71.04986	1.0
71.08640	0.5
72.08149	0.7
79.05498	3.1
81.03429	3.3
81.06591	0.5
81.07063	7.5
82.03740	1.3
83.04953	0.5
83.08620	2.3
85.06548	11.1
91.05483	2.3
92.05821	0.7
93.07041	3.8
94.07357	0.5
95.04963	0.9
95.08614	9.9
96.05325	0.8
97.06542	0.4
97.10166	1.0
98.09717	0.7
99.08109	0.3
105.07034	3.9
107.08601	2.4
109.10159	4.9
113.09666	2.1
119.04951	2.1
119.08585	0.7
120.08910	0.5
121.06516	0.5
121.10157	2.1
123.11685	1.1
127.11179	0.7
131.08603	0.5
133.10139	0.5
134.10443	0.4
135.11665	1.0
136.06187	2.9
147.04411	6.4
148.11966	0.4
149.13237	1.3
151.14832	0.7
158.10547	0.4
163.14873	0.7
176.11555	0.5
177.16446	0.5
194.12532	0.6
198.18565	0.4
233.22701	0.4
237.57001	0.3
238.04736	0.3
241.29855	0.3
250.25311	8.0
268.13281	1.8
268.16608	2.1
268.22488	51.5
268.26349	100.0
269.17822	0.6
269.22787	3.0
269.26666	4.7
277.07352	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	268.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.8
57.03427	1.3
57.07075	6.3
58.06601	8.8
64.81537	0.4
67.05503	6.5
69.07069	2.9
71.04998	0.7
71.08630	7.9
79.05482	1.8
79.41235	0.3
81.03419	0.6
81.06590	0.5
81.07057	9.6
82.03783	0.4
83.08607	2.0
85.06552	3.6
91.05457	0.5
93.07058	3.4
95.07988	0.6
95.08607	10.2
97.10177	0.9
98.22554	0.7
99.08092	5.4
103.66749	0.3
105.07036	0.6
107.08647	1.7
109.10136	2.1
111.91614	0.4
113.09647	0.8
120.08096	1.4
121.06470	0.5
121.10127	2.0
123.11691	0.7
125.02078	0.3
127.11194	0.9
135.11674	1.4
136.06143	2.1
137.13232	0.6
149.13258	1.4
163.14830	0.4
180.17332	0.4
250.25410	2.5
261.11465	0.3
268.26346	100.0
269.26746	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	268.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98139	0.4
53.03954	0.8
55.05516	7.2
56.05031	1.9
57.03428	0.7
57.07074	1.4
58.06590	1.4
67.05508	15.9
69.07072	13.5
69.86073	2.0
70.06595	5.2
71.04987	1.1
72.08147	0.9
74.06081	4.6
79.05492	5.0
81.03418	1.2
81.07059	15.1
82.06570	0.9
83.08624	3.0
84.08145	5.0
88.52245	0.4
91.05480	1.2
93.07049	4.3
95.08617	11.7
96.08129	2.0
97.10190	0.7
98.09695	6.3
104.92794	0.4
105.06374	0.7
105.07037	7.7
106.07324	0.6
107.08595	2.6
109.10157	4.0
110.09682	1.2
121.10139	1.8
123.11713	0.9
124.11258	0.8
135.11671	1.4
136.06172	3.4
138.12776	1.2
149.13278	1.7
152.14342	1.1
159.11749	0.6
166.15906	0.7
177.16356	0.6
222.22078	1.3
240.13771	2.3
250.25307	38.5
251.25749	1.7
268.26355	100.0
269.26761	4.9
286.98053	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	268.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05514	12.9
56.05041	2.8
57.03433	2.4
57.07077	4.6
58.06594	0.8
65.41970	0.6
65.62796	0.5
68.05022	1.2
69.03451	0.6
69.07066	11.4
70.06584	1.6
71.08638	1.2
74.06094	0.8
75.20493	0.7
79.05491	2.8
81.03437	3.8
81.07057	3.8
82.03761	1.5
82.06590	1.2
83.04951	0.8
83.08633	5.7
84.08150	1.0
85.06544	1.0
86.06069	7.6
91.05477	1.3
92.05847	0.9
93.07040	2.2
95.04974	1.1
95.08615	2.8
96.05318	0.7
96.08121	1.4
97.06517	2.8
97.10180	2.2
100.07644	1.0
102.05551	0.9
107.86651	0.7
109.10145	1.7
110.09691	1.2
111.08083	0.9
114.05556	4.7
114.09172	1.6
121.10186	0.8
124.11264	0.7
128.10699	0.6
130.07402	0.6
136.05157	0.7
136.06186	11.7
194.12569	1.0
228.90421	0.8
250.25453	0.9
268.16351	2.0
268.26358	100.0
269.17389	0.7
269.26654	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	268.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05512	6.8
56.05036	0.4
57.03426	1.1
57.07069	0.7
58.06316	0.5
58.06600	10.3
65.03944	0.6
67.05505	18.7
69.03413	0.3
69.07069	5.7
69.75139	1.4
70.06589	0.4
71.04993	0.9
72.08154	0.7
79.05496	6.8
81.03416	1.3
81.07058	14.8
82.06596	0.4
82.07370	0.6
83.08617	2.6
84.08149	0.8
85.06531	0.5
85.73027	0.3
86.09708	0.5
91.05486	2.8
93.07042	8.0
93.79602	0.4
95.04971	1.0
95.08607	12.2
97.06526	0.8
97.10186	1.0
98.09682	2.1
105.07020	1.1
107.08598	4.8
109.10159	5.4
109.10840	0.6
111.08051	0.5
119.08556	0.6
121.10141	4.0
123.11716	1.5
131.08566	0.7
133.10141	0.8
135.11711	2.1
136.06166	3.9
143.08615	0.4
145.10172	0.3
147.11638	0.4
149.02258	0.3
149.13281	1.3
159.11691	0.9
163.14822	0.6
177.12758	0.4
180.17372	0.4
194.19072	1.0
216.27106	0.4
250.25296	8.4
268.26352	100.0
269.07974	0.3
269.17465	1.4
269.26682	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	268.9461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05030	4.3
52.59305	4.5
54.11034	5.6
63.15412	4.6
64.76685	4.4
71.20295	7.1
94.93008	16.9
111.83083	4.6
134.96127	46.0
136.06216	7.8
156.70700	5.0
162.95554	8.0
164.93506	63.7
178.95071	20.7
188.93594	10.0
250.93628	13.1
266.09891	5.8
268.94620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34055	0.2
70.40233	0.3
70.70196	0.6
78.90951	0.2
87.35706	0.3
88.82492	0.3
97.44549	0.3
104.99273	100.0
105.99599	0.5
117.44009	0.3
151.99925	0.3
186.99542	15.8
269.14539	0.3
273.37384	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	269.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14764	0.2
53.03948	0.5
55.01877	0.5
55.05519	0.4
60.06285	0.2
67.05499	0.8
68.99812	0.2
69.07084	0.6
71.01362	0.4
71.30252	0.2
71.30636	0.3
79.05499	0.8
81.03422	2.1
81.07065	1.5
83.08573	0.3
85.06572	0.3
87.04505	0.3
91.05474	0.5
91.34347	0.2
93.07057	0.9
94.11024	0.3
95.04993	0.3
95.08614	1.2
96.99450	0.2
105.07032	0.5
107.01343	0.4
107.08591	0.5
109.02880	0.7
109.10192	0.4
113.06017	0.7
117.07029	0.4
118.64369	0.2
121.10141	2.6
127.03950	0.9
137.02353	100.0
138.02661	1.8
139.11195	0.7
149.13232	0.3
159.11737	0.5
226.06265	0.3
251.16519	0.5
269.06754	1.0
269.17542	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31797	1.2
53.03933	4.2
55.01889	2.5
55.05513	23.7
57.03435	33.3
57.07060	4.6
65.03928	3.1
66.50535	1.1
67.05506	81.1
68.05823	1.4
69.06695	1.6
69.07068	28.4
71.01312	1.4
71.04987	7.5
71.08607	1.9
79.05495	47.5
81.03403	1.9
81.07057	100.0
83.04982	10.6
83.08617	20.4
85.06531	7.2
91.05486	25.6
93.07040	66.5
94.07321	1.2
95.04954	6.5
95.08604	24.9
97.06525	15.5
97.10183	1.6
99.08076	5.1
105.07031	10.7
107.08594	38.8
109.06535	2.5
109.10132	3.6
111.08075	8.2
113.05945	2.7
115.05448	1.4
117.07017	8.8
119.08548	2.8
121.10140	22.4
123.11649	3.2
131.08548	12.2
133.10136	10.8
135.08046	2.8
135.11699	12.9
139.11195	2.5
147.11649	2.5
149.13257	41.7
151.11192	2.1
159.11678	20.3
159.85622	1.1
166.02484	1.3
167.14314	1.3
177.12746	7.6
195.13815	13.7
269.14728	2.1
269.17422	40.9
270.17755	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.70023	1.1
53.03947	3.3
55.01868	3.1
55.05514	21.7
57.03440	37.4
57.07084	10.3
58.06606	5.9
58.07407	1.2
65.03942	2.0
67.05508	82.3
68.05825	1.8
69.07072	34.9
69.67461	5.5
71.04991	7.9
71.08626	3.0
73.02924	1.8
76.52964	1.4
79.05497	47.7
81.03453	3.1
81.07059	100.0
82.07351	1.7
83.04998	10.4
83.08623	16.2
85.06556	10.3
91.05486	22.5
93.07047	75.6
95.04971	7.9
95.08613	31.9
96.08939	2.6
97.06532	15.7
97.10165	3.7
98.09682	1.8
99.08087	5.0
105.07044	10.8
107.08596	36.9
109.06512	2.7
109.10143	5.3
111.08090	9.5
113.09675	1.5
116.70048	1.4
117.07008	10.8
119.08537	2.7
121.10142	25.1
121.11012	1.4
122.10485	1.6
123.11696	2.8
131.08594	8.0
133.10136	9.3
135.08078	1.3
135.11699	10.8
136.12079	1.3
139.11195	2.8
147.11662	2.2
149.13263	49.0
151.11110	2.2
159.11697	20.1
162.38275	1.3
177.12784	8.2
185.88652	1.2
195.13811	13.8
199.29811	1.4
217.89766	1.4
251.25673	1.7
258.13589	1.3
268.26373	10.7
269.11237	1.5
269.17484	45.5
269.22324	2.7
269.26709	67.3
270.17920	1.3
270.27753	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	4.1
55.05515	18.6
57.03439	38.1
57.07076	27.0
65.03936	4.0
66.11808	2.7
67.05510	88.3
69.06491	2.5
69.07129	51.5
71.04993	7.5
71.08637	24.3
73.73248	2.3
79.05489	41.0
79.08926	2.4
81.03408	3.1
81.07059	100.0
83.04985	9.8
83.08624	18.8
85.06551	7.0
88.94405	2.5
91.05467	18.5
93.07048	79.1
95.04978	4.5
95.08624	24.8
97.06527	12.3
99.08096	5.4
105.07056	8.9
107.04990	2.9
107.08604	43.3
109.06522	2.8
109.10133	4.7
111.08082	7.6
117.07015	7.6
121.10155	23.6
123.11717	3.7
130.66534	2.7
131.08557	9.5
133.10136	8.9
135.11702	11.3
149.12154	4.6
149.13264	53.7
158.15402	15.5
159.11705	20.6
165.64122	2.6
177.12762	9.8
195.13832	11.6
234.81851	3.1
251.12529	2.6
251.16608	2.6
269.17435	36.0
270.17767	3.6
270.27908	73.7
270.30850	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	269.1748
Annotation	Uvidin B
Peak:m/z	Relative Intensity
55.05505	1.4
57.07057	1.4
67.05508	4.2
69.03425	2.7
69.05238	0.9
69.05631	5.3
69.07069	1.1
71.04977	1.4
72.18648	0.7
79.05488	2.5
80.86886	0.5
81.07052	5.3
83.04975	1.1
83.08620	0.8
84.72667	0.6
85.06540	1.8
87.04465	7.3
91.05479	1.6
93.07041	3.8
95.04985	2.9
95.08601	5.7
97.06530	1.0
101.58274	0.7
103.05444	1.0
105.07031	11.9
107.08575	1.5
109.10144	4.1
111.08072	1.2
113.06007	32.1
115.03935	9.8
119.08600	4.0
121.06486	2.3
121.10144	100.0
122.10483	2.4
123.08067	2.1
125.05962	0.8
127.36627	0.6
131.07047	1.6
131.08595	1.1
133.07625	1.2
133.10094	0.8
135.64241	0.6
137.09625	1.1
137.13257	11.3
139.07552	0.9
139.11176	7.6
145.10139	1.9
163.11197	1.1
165.09116	1.4
167.07001	2.0
170.41634	0.6
171.11703	1.4
173.11742	1.7
173.13297	3.5
191.10785	0.8
191.14288	0.6
205.15930	1.2
223.16931	1.4
228.28525	0.7
233.15337	6.5
251.16418	17.3
252.16751	0.8
269.04538	1.3
269.08282	0.8
269.17374	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.91330	0.9
53.03937	3.7
55.01862	3.2
55.05513	21.2
56.28296	1.0
57.03440	33.5
57.07058	3.1
59.05012	0.9
65.03939	2.0
67.05509	71.8
68.05852	1.1
69.03411	1.1
69.07071	26.0
71.04986	7.7
71.08624	1.4
71.29092	1.2
73.02890	1.1
77.01456	0.9
79.05495	44.5
81.03406	2.6
81.07059	100.0
82.07391	1.6
82.20878	0.9
83.04575	1.0
83.04996	10.3
83.08624	19.4
84.38689	0.8
85.06544	5.1
85.11428	0.8
91.05486	24.7
93.07047	65.0
95.04958	5.5
95.08611	26.9
97.06525	15.8
97.10184	2.3
99.08081	2.8
105.07030	11.1
107.08595	35.7
109.06496	2.9
109.10150	5.7
111.08085	8.5
113.05909	1.0
117.07020	9.1
119.08553	3.2
121.06474	1.8
121.10149	18.9
121.80327	0.8
122.64644	0.9
123.08011	1.2
123.11713	4.1
125.09624	1.5
127.00570	1.0
127.07615	1.0
129.07001	1.4
131.08585	9.7
133.09247	1.0
133.10143	13.3
134.10326	1.1
135.08070	2.3
135.11694	11.0
139.11136	2.1
143.08563	0.9
145.10046	1.0
147.11661	2.3
149.09578	1.0
149.13266	40.4
151.11162	1.8
157.10091	1.7
159.10410	1.2
159.11702	15.8
167.14273	1.8
177.12779	8.2
195.13821	16.7
203.56865	1.0
254.10661	1.0
269.17441	44.2
269.22333	1.9
269.26608	3.1
270.17993	1.5
270.24207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01861	2.3
55.05516	25.5
56.60762	1.8
57.03440	29.1
57.07078	5.0
58.06600	1.9
65.03949	2.6
67.05508	71.8
69.04673	6.9
69.05096	6.3
69.07067	28.5
70.06591	2.4
71.04997	6.6
78.67336	1.5
79.05066	3.0
79.05499	40.6
81.07060	100.0
83.04999	9.3
83.08620	20.9
85.06555	6.1
89.00741	2.0
91.05493	22.0
93.07050	67.2
94.07356	2.1
95.04968	5.1
95.08601	23.1
97.06524	16.0
97.10175	2.2
98.09679	4.7
98.23377	3.2
99.08107	2.9
105.07045	8.2
107.08595	32.4
109.06552	2.4
109.10165	6.3
109.92364	1.9
111.08094	5.8
115.05495	2.0
117.07024	14.0
119.08570	3.4
121.10143	19.4
123.11714	4.0
131.08588	8.5
133.10123	13.7
135.08070	2.1
135.11707	10.5
149.09618	5.0
149.13271	31.3
159.11705	18.3
167.14272	2.0
177.12747	7.6
195.13843	8.6
251.25565	3.4
252.26848	18.4
268.26462	2.5
269.11395	3.0
269.17453	44.0
269.22473	2.3
269.26590	9.7
270.18015	2.8
270.27921	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.80145	1.3
52.23900	1.3
53.03939	4.5
55.01871	4.6
55.05512	23.2
57.03441	36.6
57.07074	4.6
65.03939	2.2
67.05506	83.2
69.03432	2.8
69.07069	32.2
71.04990	10.0
79.05495	46.9
81.03425	3.2
81.07061	100.0
83.04982	12.6
83.08619	22.9
85.06542	7.2
87.04484	2.1
91.05476	27.3
93.07049	75.8
94.07355	1.9
95.04967	7.8
95.08613	29.2
97.06532	20.2
97.10205	2.1
99.08102	5.1
105.04531	2.0
105.07034	11.5
107.08598	46.9
109.06530	4.2
109.10182	5.8
111.08076	11.1
113.06037	1.8
113.09644	1.6
117.07005	11.0
119.08607	4.2
121.06535	2.4
121.10149	30.2
123.08048	1.7
123.11704	4.5
130.56740	1.4
131.08588	13.6
133.10104	12.5
135.08061	2.3
135.11700	12.1
139.11139	3.3
143.21555	1.3
145.10049	2.3
147.11737	2.0
149.13261	55.8
149.14462	2.8
151.05455	1.4
151.11220	1.6
152.03889	1.6
157.10077	2.1
159.11679	24.6
171.57190	1.3
177.12691	10.2
186.39102	1.6
195.13814	13.3
213.08047	1.5
241.13461	1.4
269.10632	2.1
269.13223	2.2
269.17477	46.5
269.22366	3.5
270.17615	1.8
287.11526	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	4.4
55.01870	3.5
55.05513	23.2
57.03157	1.8
57.03442	33.5
57.07063	3.4
63.81427	1.2
65.03911	1.7
67.05509	71.4
69.03438	1.4
69.07076	30.0
71.01346	1.9
71.04994	8.1
71.08620	1.6
79.05498	46.3
81.03427	1.6
81.07062	100.0
83.04991	10.8
83.08623	20.6
85.06536	5.6
91.05483	23.1
93.07050	73.8
95.04975	4.3
95.08613	22.6
97.06539	15.1
97.10172	3.3
99.08112	3.6
105.04537	1.2
105.07053	10.5
107.08599	38.8
109.06510	4.5
109.10149	4.2
111.08094	9.7
113.06013	1.2
117.07044	9.8
119.08563	2.5
121.06522	1.6
121.10152	24.8
121.11003	1.6
123.08149	1.4
123.11713	3.7
127.07533	1.2
131.08594	10.4
133.10158	7.5
135.08057	3.7
135.11723	12.4
139.11156	2.1
145.10095	1.8
147.11703	2.2
149.13266	54.6
151.11148	1.4
159.11708	19.6
159.40121	1.2
167.14299	2.3
177.12766	10.0
195.13802	11.4
208.08968	1.2
269.17480	43.3
269.26642	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	5.2
53.44791	1.3
55.01867	4.2
55.05512	21.9
56.05854	1.4
57.03160	1.8
57.03439	34.9
57.07059	3.7
58.06592	2.1
58.31356	1.1
62.04171	1.3
65.03927	2.8
67.05508	77.2
68.05840	1.9
69.07068	32.3
69.15979	6.8
69.16390	2.1
71.01353	1.2
71.04984	5.1
79.05496	48.5
81.03424	2.0
81.07059	100.0
82.07394	2.8
83.04985	10.3
83.08621	17.3
85.06535	6.2
91.05484	26.3
93.07046	73.8
95.04977	8.4
95.08612	26.3
97.06532	13.6
99.04443	1.5
99.08083	3.4
105.04505	1.9
105.07018	10.4
107.04960	45.6
107.08601	34.9
109.06498	4.0
109.10172	5.3
110.07156	4.4
111.08078	9.2
113.05961	1.6
115.05432	2.3
117.07014	8.2
119.08564	3.7
121.06520	2.5
121.10143	22.1
123.08079	1.4
123.11707	2.6
127.07578	1.3
130.06534	3.6
131.08565	11.3
133.10156	10.3
135.08064	3.6
135.11707	8.1
142.06488	2.1
145.06488	1.2
147.11716	2.1
149.13261	46.0
157.10104	1.5
159.11703	20.5
170.06001	2.5
177.12737	7.4
195.09085	1.7
195.13785	10.3
241.09750	7.0
250.25294	8.3
251.25632	30.8
269.09140	2.0
269.11618	1.6
269.17484	41.0
269.22427	1.7
269.26642	5.1
270.27899	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01861	2.3
55.05516	25.5
56.60762	1.8
57.03440	29.1
57.07078	5.0
58.06600	1.9
65.03949	2.6
67.05508	71.8
69.04673	6.9
69.05096	6.3
69.07067	28.5
70.06591	2.4
71.04997	6.6
78.67336	1.5
79.05066	3.0
79.05499	40.6
81.07060	100.0
83.04999	9.3
83.08620	20.9
85.06555	6.1
89.00741	2.0
91.05493	22.0
93.07050	67.2
94.07356	2.1
95.04968	5.1
95.08601	23.1
97.06524	16.0
97.10175	2.2
98.09679	4.7
98.23377	3.2
99.08107	2.9
105.07045	8.2
107.08595	32.4
109.06552	2.4
109.10165	6.3
109.92364	1.9
111.08094	5.8
115.05495	2.0
117.07024	14.0
119.08570	3.4
121.10143	19.4
123.11714	4.0
131.08588	8.5
133.10123	13.7
135.08070	2.1
135.11707	10.5
149.09618	5.0
149.13271	31.3
159.11705	18.3
167.14272	2.0
177.12747	7.6
195.13843	8.6
251.25565	3.4
252.26848	18.4
268.26462	2.5
269.11395	3.0
269.17453	44.0
269.22473	2.3
269.26590	9.7
270.18015	2.8
270.27921	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Uvidin B
Peak:m/z	Relative Intensity
55.05501	1.2
55.16983	0.5
57.07069	1.8
67.05501	1.7
69.03424	2.0
69.07069	1.1
69.30004	2.2
69.30414	0.9
71.05003	0.7
77.96169	0.6
79.05506	3.1
81.07036	4.8
83.04984	1.0
85.06541	2.0
87.04478	5.2
91.05485	1.6
93.07041	4.3
95.04974	2.1
95.08604	4.1
97.06520	0.6
101.06010	0.7
103.05458	1.1
105.07035	12.9
106.07830	0.7
107.04955	0.6
107.08583	1.8
109.06509	1.7
109.10152	1.0
113.06005	19.7
115.03941	6.3
119.08585	3.6
121.10143	100.0
122.10479	2.0
123.08074	2.9
123.63167	0.5
125.06014	1.0
131.07063	0.9
131.08575	1.2
133.07610	2.3
133.10135	1.3
137.02316	0.7
137.06029	0.5
137.13240	4.4
139.07544	1.5
139.11208	1.3
145.10135	1.4
147.11702	1.3
149.05972	2.3
149.09517	0.6
149.13271	0.6
153.05434	0.6
154.46646	0.6
159.11720	0.6
163.11125	0.9
165.09122	0.7
169.08626	1.0
171.11674	1.6
173.13272	3.4
175.87086	0.6
177.09178	0.6
181.08650	0.7
187.14871	0.9
188.50450	0.5
191.10680	0.9
191.14464	0.8
195.06487	1.8
205.15852	1.0
213.07553	5.0
215.14297	0.9
223.17024	0.6
233.15422	7.5
239.99596	0.6
251.12749	2.5
251.16414	12.7
269.04483	1.1
269.08087	1.0
269.11642	1.0
269.17380	4.2
291.61047	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	269.175
Annotation	Uvidin B
Peak:m/z	Relative Intensity
53.03949	0.7
55.01872	1.4
55.05494	1.7
57.07076	1.1
63.05100	0.5
65.59968	0.6
65.69313	0.5
67.05507	3.2
69.03424	1.9
69.07056	2.1
70.05372	2.2
71.04993	2.0
79.05495	4.1
80.27335	0.6
81.03426	0.8
81.07053	5.7
83.08585	0.8
85.06535	2.1
87.04471	8.0
91.05471	3.4
92.05827	0.8
93.07051	5.6
95.04971	2.4
95.08610	7.0
97.06525	1.6
103.05472	1.0
105.07027	11.4
107.08589	1.9
109.02862	0.6
109.10176	1.7
113.06007	31.0
113.90939	0.6
115.03933	9.7
117.07049	1.0
119.08588	3.7
121.02900	0.8
121.06509	1.9
121.10144	100.0
122.10479	2.5
123.08075	2.3
125.02338	0.7
131.07028	1.9
131.08589	1.2
133.07573	0.9
133.10156	2.1
134.72165	0.5
135.08073	1.4
137.09564	0.9
137.13271	10.1
139.07513	1.1
139.11171	8.6
145.10109	1.8
147.11732	0.7
149.06021	0.8
149.13301	0.9
150.06735	1.3
159.11758	1.4
163.07549	2.6
165.09157	0.7
167.07071	2.1
171.11691	1.2
173.13269	4.1
181.08643	1.2
187.14786	1.4
205.12248	3.9
211.13155	0.6
223.13292	0.7
226.06213	0.6
233.11771	5.6
233.15358	3.9
243.74347	0.6
251.12836	0.7
251.13515	0.9
251.16420	16.0
269.04422	1.1
269.08060	1.3
269.17444	4.8
269.22296	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	270.1489
Annotation	Coccuvine
Peak:m/z	Relative Intensity
53.03939	0.5
55.01851	0.6
55.05519	1.8
57.07080	3.2
67.05486	1.1
68.99785	0.5
69.07060	0.6
69.25504	2.4
79.05503	2.0
81.07058	3.2
85.06536	0.5
91.05494	1.8
93.07050	2.9
97.06508	0.5
98.23419	0.6
105.07030	1.4
106.06512	0.4
107.08589	1.5
109.06512	0.4
117.05769	1.0
118.06534	1.0
121.06459	0.4
129.06996	2.1
130.06534	15.6
131.07298	1.2
141.07013	0.9
143.07306	1.5
144.08075	5.8
150.05510	0.5
154.06516	10.3
155.07330	4.7
155.08559	0.6
156.08076	5.1
157.08888	0.5
158.06058	2.8
158.09656	1.1
165.07013	0.7
167.07314	15.7
168.08090	100.0
169.08740	4.6
170.06085	0.7
170.09700	2.2
172.07585	1.3
180.08069	4.8
181.08868	11.7
182.06068	1.4
182.09654	17.4
183.06795	0.8
183.10208	1.1
184.07542	0.5
184.11266	0.7
192.08076	0.9
194.09673	1.6
195.10403	2.4
196.07605	4.2
196.11215	2.2
197.08350	0.5
197.11958	0.6
200.07021	2.1
200.14297	0.7
202.08673	0.5
203.74178	0.4
208.07553	0.7
208.11211	0.9
209.08351	0.5
210.09383	5.5
210.12781	36.7
211.13222	1.5
213.07823	1.7
214.08609	2.7
223.88380	0.4
224.14345	31.0
225.14711	1.2
226.08549	0.7
226.15938	2.5
227.09386	0.8
228.10268	1.9
228.13751	2.1
229.04906	0.5
234.12572	0.4
252.13815	4.5
270.14890	55.9
271.06009	3.4
271.15210	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	270.279
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
50.76311	0.3
55.05243	0.5
55.05512	9.8
56.05038	2.8
56.05861	0.3
57.03438	0.5
57.07080	3.4
58.06598	2.3
67.05510	9.9
69.06693	0.4
69.06771	0.2
69.07072	10.2
70.06598	6.3
70.34435	0.9
71.05006	1.2
71.08642	1.3
72.08150	2.0
74.06085	4.5
79.05497	1.3
81.07061	10.4
82.07399	0.9
83.08623	7.4
84.08143	4.3
88.07636	0.8
91.05462	0.4
93.07043	0.9
95.08613	8.2
97.10169	3.5
98.09693	6.6
107.08561	0.5
109.10159	4.4
111.11778	0.5
123.11729	1.1
150.13667	0.4
153.74171	0.4
155.64017	0.3
156.17439	0.6
170.19124	0.4
171.20602	0.3
171.50967	0.3
184.20557	0.8
224.23714	3.0
231.20239	0.3
252.26877	46.1
253.27267	1.4
270.27914	100.0
271.05872	2.1
271.28262	3.8
276.87177	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	271.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98224	5.1
57.07074	8.1
64.30817	4.9
68.99792	8.8
70.67892	8.1
70.68212	8.8
75.02427	5.2
81.07059	6.6
91.01758	6.4
110.07177	13.4
116.98643	7.8
145.06502	6.3
151.04008	6.3
151.72591	5.5
153.01868	11.0
165.40756	7.3
171.99399	5.7
173.06030	5.5
176.51173	7.0
189.62688	7.1
189.64342	6.1
197.06026	6.8
229.04979	11.0
243.01706	6.0
243.06548	6.6
268.59372	5.5
271.02194	27.0
271.06033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
53.47274	0.2
55.01870	0.8
65.03963	0.3
67.05499	0.3
68.99792	18.1
69.03435	0.3
69.53540	0.8
72.06686	0.2
74.90608	0.2
79.05484	0.8
79.61469	0.2
82.09988	0.2
91.05475	1.2
93.07042	0.5
95.04939	0.6
97.02941	0.3
103.05475	0.6
105.03421	0.3
105.07025	0.8
107.04975	0.5
107.08589	0.3
109.02903	0.3
109.06555	0.6
111.00797	2.3
111.04427	0.5
113.02354	0.6
115.05447	1.3
117.07004	0.7
119.08578	0.7
123.00811	0.6
123.04427	0.6
123.08158	0.3
125.09544	0.3
127.05408	0.3
128.06209	0.4
129.07018	2.3
131.04916	1.7
131.08559	0.5
133.02888	0.3
133.06506	0.6
135.08096	0.4
137.01347	0.3
137.02341	1.1
137.05995	0.4
139.05431	0.5
139.07530	0.3
141.03380	0.3
141.06990	4.3
143.05013	0.3
145.06505	1.4
147.04424	0.6
147.08060	0.9
149.05946	0.6
149.09657	0.4
151.03833	0.4
151.07542	0.4
153.06934	0.4
155.04916	3.7
155.06018	0.2
155.81821	0.2
157.06497	3.7
157.07707	0.4
159.04390	2.2
159.08051	0.4
160.05193	0.4
161.05991	0.6
165.09157	0.4
167.04877	0.3
168.00156	0.2
168.05733	0.4
169.06474	3.8
169.07759	0.3
170.07054	0.2
172.05191	0.3
173.05980	16.6
174.06364	0.6
175.07498	1.8
175.08780	0.4
177.05455	1.4
179.04803	0.4
179.10670	0.3
181.06474	0.9
183.04417	3.8
185.05994	2.9
187.03900	4.2
187.07552	0.5
191.07045	0.3
193.08606	0.7
195.06509	0.8
197.05986	8.5
198.06398	0.5
200.04536	0.2
201.05467	14.9
202.06143	0.7
203.07028	7.1
204.07350	0.4
207.04466	0.3
207.10257	0.3
209.08148	0.2
209.11716	0.4
211.03931	1.0
214.94109	0.3
215.07060	2.1
225.05440	9.6
226.06120	1.3
227.06870	0.3
229.04958	18.6
230.05284	0.5
235.09656	0.7
243.06551	3.3
253.04950	6.4
253.10684	0.3
254.05621	0.8
271.06003	100.0
272.06329	4.0
272.09192	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	271.0601
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
55.01875	0.7
67.01886	0.4
67.03887	0.3
68.99792	17.7
69.33001	0.7
69.33401	1.1
72.11176	0.3
79.05476	0.5
91.05487	0.5
95.01335	0.3
103.05475	0.7
105.03313	0.3
105.07034	0.7
109.06500	0.4
111.00806	1.7
115.05444	1.4
119.08582	0.5
127.05406	0.5
128.06209	0.7
129.07008	2.1
131.04906	1.9
131.08527	0.4
135.04385	0.3
135.08073	0.4
137.02321	1.4
139.05421	0.6
141.06999	4.8
145.06465	1.9
147.04477	0.3
147.08080	0.4
152.06233	0.4
155.04929	4.7
155.06084	0.4
157.06483	3.6
159.04453	2.0
160.05228	0.4
161.06003	0.8
166.99179	0.3
167.04820	0.4
168.05711	0.5
169.06494	4.2
172.05116	0.3
173.05994	15.6
174.06389	0.4
174.81949	0.3
175.07545	0.9
177.05521	0.4
179.04898	0.7
181.06470	0.9
183.04411	3.6
185.06012	2.5
187.03880	4.4
187.05385	0.3
187.07561	0.7
193.08455	0.3
195.06474	0.5
197.05983	8.8
198.06425	0.6
200.04634	0.5
201.05470	11.6
202.06061	1.1
203.07031	6.4
207.04469	0.6
211.03922	1.2
215.07053	1.7
225.05461	8.2
226.06134	1.0
229.04965	15.0
230.05362	0.6
235.09659	0.5
243.06526	2.5
253.04979	5.5
253.10501	0.5
254.05560	0.8
271.06012	100.0
272.06363	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	271.0601
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
55.01878	0.7
59.15076	0.4
67.01865	0.4
68.64288	0.3
68.99798	16.8
69.00180	0.8
69.14627	2.1
70.06591	0.4
81.03380	0.5
81.07049	0.6
83.94324	0.3
86.09754	0.5
88.63878	0.3
91.05500	0.7
93.07038	0.4
94.36461	0.3
98.23325	0.5
103.05475	0.5
105.07018	0.5
111.00814	2.4
115.05465	1.3
116.07123	0.8
117.07014	0.7
127.05361	0.7
128.06232	0.6
129.07007	2.0
131.04927	1.1
137.02338	1.0
139.05424	0.7
139.46979	0.3
141.06996	3.8
145.06514	1.1
147.08124	0.4
153.07071	0.4
155.04915	4.5
155.06044	0.7
157.06490	3.5
159.04446	2.0
160.05203	0.5
169.06532	3.7
173.05995	15.2
173.07513	0.7
174.06279	0.4
175.07545	1.3
179.04967	0.5
181.06447	0.7
183.04408	4.1
184.04970	0.3
185.05983	3.2
187.03860	4.0
187.05165	0.4
187.07590	0.8
197.04265	0.7
197.06004	8.8
197.07802	0.4
201.05489	11.6
202.06224	0.5
203.07040	6.3
211.03889	1.0
215.07043	2.0
225.05476	8.9
226.06224	0.9
226.77551	0.4
229.04970	16.0
242.05861	0.4
243.06541	3.5
253.04974	6.5
254.05751	0.6
271.06021	100.0
272.06345	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	271.0601
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01873	1.2
62.22343	0.5
65.03944	2.9
66.29086	0.5
67.01854	0.7
68.99791	10.0
69.03424	0.8
91.05474	9.6
92.79801	0.5
95.01347	0.7
98.22559	0.9
103.05453	1.2
107.04954	5.9
111.00800	1.5
111.04457	0.7
115.05440	2.6
117.07056	1.2
119.04956	5.2
121.01994	0.8
121.02863	15.4
128.06148	0.6
129.06992	1.3
131.04947	3.3
131.08563	1.2
133.02861	1.0
137.97652	0.6
141.06995	8.3
144.05775	0.6
145.02864	2.0
145.06477	2.3
147.04422	3.5
147.08046	3.1
149.02345	84.4
150.02686	2.5
152.06262	1.4
153.01831	18.0
153.06999	2.3
155.04912	1.8
155.06021	0.8
157.06487	2.6
159.04431	3.6
159.08055	1.8
165.01814	1.1
167.03419	1.4
168.05774	0.7
169.06503	10.1
169.07777	0.5
169.62503	0.5
171.04401	0.6
173.05972	6.8
175.07443	0.5
181.06540	2.8
183.04437	1.5
185.06013	1.6
187.03949	2.3
187.07533	3.4
190.98036	0.5
197.05988	15.7
197.07864	0.8
198.06422	1.3
199.07622	1.4
200.04677	1.0
201.05458	4.6
203.07043	1.5
211.03937	0.6
213.05464	1.1
215.07034	100.0
216.07391	4.0
225.05475	4.0
226.14331	0.9
227.07123	1.2
229.04973	4.9
243.06528	67.6
244.06857	2.5
253.05025	5.3
271.06006	79.7
272.06339	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	271.0602
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01870	1.5
55.05513	0.9
56.09248	0.4
65.03938	4.6
67.01878	1.0
68.99792	16.1
69.03428	0.8
71.01817	0.7
79.05505	0.9
81.03413	1.0
81.07059	1.1
91.05485	12.2
95.01313	0.7
103.05460	1.1
105.03485	0.5
107.04966	7.4
111.00809	1.7
111.04417	0.8
115.05462	2.1
117.07052	1.4
118.97363	0.5
119.04945	5.3
119.08577	0.9
121.02876	17.0
128.06232	1.6
129.06996	2.3
131.04938	3.5
131.08565	1.5
133.02844	1.1
141.06979	11.0
144.05722	1.4
145.02838	2.7
145.06480	3.6
147.04405	3.7
147.08040	2.6
149.02347	94.0
150.02739	1.5
152.06206	1.9
153.01834	21.4
153.06992	1.9
155.04932	3.6
155.05994	0.7
157.06514	3.6
159.04433	4.8
159.08080	1.7
165.01804	1.7
167.03424	0.8
168.05644	0.8
169.06493	13.2
171.04463	0.6
172.05193	0.6
173.05986	8.5
175.07492	1.1
181.06474	3.1
181.42310	0.5
183.04419	3.3
184.05231	0.8
185.06003	2.7
187.03889	4.7
187.05360	0.6
187.06099	0.6
187.07501	3.8
191.03487	0.6
197.05986	19.3
198.06647	0.6
199.07552	1.6
200.04697	0.8
201.05466	6.6
203.07048	3.2
207.04385	0.6
211.24838	0.4
213.05428	1.1
215.07039	100.0
216.07352	3.3
225.05450	5.8
226.06305	1.0
227.06911	1.1
229.04970	9.2
229.06973	0.8
240.07861	0.6
240.63899	0.5
243.06540	79.5
244.06894	3.6
253.04959	6.3
268.02289	0.6
271.06009	95.4
272.06213	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	271.0601
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
53.03952	0.2
55.01865	0.7
60.83651	0.2
68.99794	16.4
69.03423	0.3
69.53858	0.9
81.03465	0.2
83.05018	0.3
91.05493	0.6
95.04979	0.2
98.22612	0.2
103.05457	0.5
105.03400	0.4
105.07047	0.4
107.03668	0.2
109.02894	0.2
109.10140	0.3
111.00812	1.8
115.05460	1.5
116.19193	0.2
117.07037	0.4
119.04960	0.2
121.06512	0.4
121.10139	0.2
123.04429	0.3
127.05518	0.3
128.06216	0.7
129.07039	1.9
131.04948	1.4
131.08611	0.5
133.02806	0.3
133.06488	0.2
137.02350	1.1
139.05431	0.7
141.06992	4.3
145.06491	1.4
147.04382	0.6
147.08093	0.5
149.02357	0.5
150.03128	0.5
152.06210	0.5
153.07030	1.1
155.04927	4.4
155.06100	0.3
155.08546	0.3
157.06502	3.1
159.04405	1.9
159.07968	0.4
160.05222	0.5
161.06007	0.6
163.03926	0.5
165.07004	0.7
167.14284	0.3
168.05746	0.4
169.06502	4.5
172.05162	0.2
173.05992	16.0
174.06355	0.5
175.07545	0.9
179.04929	0.6
181.06445	0.6
183.04417	3.8
183.07996	0.8
184.05217	0.2
185.06010	2.6
186.06375	0.2
187.03896	4.0
187.07568	1.1
197.05981	9.9
198.06389	0.4
200.04637	0.5
201.05478	12.9
202.06087	0.9
203.07040	6.0
207.04453	0.4
211.03915	1.0
211.07516	0.3
213.05504	0.3
215.07083	2.3
224.04614	0.4
225.05470	8.4
226.06139	1.0
229.04973	16.3
230.05316	0.7
242.05789	0.3
243.06523	3.6
243.10396	0.3
247.12306	0.2
253.04993	6.5
254.05527	0.6
271.06015	100.0
272.06354	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	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01872	3.3
57.02299	0.4
57.03440	3.3
65.03944	2.4
65.69558	0.4
66.66374	0.4
67.05510	1.8
68.99793	5.3
70.06598	5.1
71.04980	1.0
71.30630	0.8
72.08170	0.7
73.02921	30.6
73.10135	0.4
75.04477	3.0
79.05514	0.6
81.07056	0.6
84.04513	0.5
85.02924	0.5
91.03974	0.7
91.05481	2.6
93.03409	2.3
93.07018	0.7
95.04983	2.2
95.06979	0.4
97.06544	0.5
103.05474	1.3
105.07094	0.7
107.04978	1.4
107.08569	0.7
108.02107	1.7
109.02892	0.8
109.10171	0.4
110.03651	5.1
111.04461	4.8
112.08746	1.0
114.10311	0.6
117.07059	0.5
119.04985	2.5
120.45676	0.5
121.02865	0.5
121.06510	0.9
121.10226	0.5
122.03696	0.7
123.04453	1.8
125.05995	38.5
126.06384	0.7
129.07040	0.8
130.06541	0.9
131.04941	1.0
135.08107	0.6
137.06004	2.1
139.20329	0.5
140.10710	0.6
141.05530	2.0
141.06993	1.5
143.07018	0.5
145.06467	0.5
147.04460	0.9
147.06517	3.7
149.05971	3.4
151.03917	100.0
151.05003	8.5
151.07471	5.5
152.04312	2.6
155.04916	1.1
155.08586	0.4
157.06465	0.9
157.07651	0.8
158.06038	0.6
159.04456	1.1
163.07520	3.2
165.07002	0.8
169.06500	1.6
173.05966	4.1
175.07509	0.6
177.05458	1.0
178.78554	0.4
179.07039	20.2
180.07350	0.5
181.08661	0.7
183.04430	2.1
185.06004	1.1
187.03900	3.5
187.07582	0.8
193.08473	0.5
195.06487	1.0
196.64490	0.5
197.06035	4.4
197.08119	18.6
199.07706	0.5
199.09639	1.1
201.05498	4.4
203.06990	2.8
208.63216	0.4
209.13599	0.7
211.07341	0.4
214.83772	0.5
215.07062	2.6
220.12845	0.4
223.09717	0.5
225.05428	2.7
225.07571	3.5
226.06056	0.6
229.04941	4.6
243.06485	4.1
253.04964	2.4
253.10779	3.2
271.06024	30.5
271.11783	16.2
272.06229	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	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01872	4.9
57.03450	3.3
65.03941	3.0
67.01856	0.7
67.05517	2.4
68.99791	12.0
69.00127	0.8
70.06606	1.3
71.01372	1.0
73.02921	31.9
75.04491	3.2
79.05494	2.3
81.03433	0.7
84.65310	0.6
91.03963	1.1
91.05487	4.7
93.03424	2.5
93.07071	1.4
95.01300	0.8
95.04983	2.5
95.08613	0.8
99.00834	0.6
100.22085	0.6
101.48161	0.5
103.05482	2.2
105.07035	2.3
107.04975	2.2
107.08620	1.3
108.02120	1.1
109.02946	0.8
109.06526	1.5
110.03664	5.8
111.00824	1.2
111.04449	4.9
114.99280	0.6
115.05461	2.0
119.04966	2.3
119.08594	1.4
121.02880	1.2
121.06530	1.6
123.00836	0.7
123.04449	1.4
125.05997	38.3
125.09643	0.8
128.06250	0.8
128.10789	0.9
129.07018	1.7
130.06531	14.1
131.04932	2.9
132.04478	5.7
133.06534	1.2
135.08051	1.3
137.05940	2.9
139.05482	0.6
141.05437	1.9
141.07019	3.8
145.06500	1.6
147.04395	0.9
147.06473	3.0
147.08029	1.8
149.02362	1.5
149.06012	4.7
149.09627	1.2
150.03146	0.8
151.03918	100.0
151.05009	8.9
151.07503	5.8
152.04265	2.3
152.06128	0.9
153.01851	2.5
153.06989	1.2
155.04947	2.7
156.46152	0.7
157.06491	2.3
157.07623	15.2
157.08849	1.2
158.06006	8.6
159.04462	1.9
161.06018	1.0
163.07539	3.4
165.06949	0.8
169.06441	3.7
169.07741	6.7
170.05956	0.7
173.05989	8.6
175.07507	1.1
175.08736	8.7
177.05486	1.9
179.07059	21.5
179.10487	0.9
181.06471	0.9
181.08591	1.5
183.04385	3.3
185.05934	3.0
187.03941	7.0
187.07495	1.5
193.08646	1.2
195.06491	1.9
196.05228	0.7
197.05934	4.2
197.08386	16.4
198.14496	0.6
199.09622	1.0
200.04727	0.7
201.05450	7.6
203.06749	1.3
203.08182	3.4
207.10280	1.2
209.08157	0.6
209.11804	0.8
211.03978	1.4
211.07599	1.2
215.06897	3.0
225.05435	2.9
225.07008	4.0
225.09564	0.6
229.04982	10.6
230.05180	0.6
235.09644	1.0
243.06650	5.4
253.05019	6.1
253.10815	3.4
266.16412	0.6
267.36502	0.7
271.05997	63.8
271.11783	18.3
272.06393	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	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01878	3.4
55.05510	4.4
57.07094	2.5
65.03950	2.4
67.05505	7.0
68.99786	17.5
69.03430	2.4
69.07073	4.8
69.87881	1.8
70.33667	6.7
71.05012	3.2
79.05502	11.9
81.07063	20.2
83.04995	4.3
85.02921	2.5
85.06561	4.3
91.05501	9.7
93.07047	36.7
95.04988	4.9
95.08629	9.3
97.06541	11.6
99.04478	6.4
105.07027	25.1
107.04951	3.3
107.08600	13.6
109.06512	12.8
109.10225	3.4
111.00833	2.1
111.08070	2.7
113.06115	2.0
113.66434	1.8
117.07027	5.6
119.08569	10.1
121.06518	31.5
121.10147	4.4
123.08092	2.7
123.11716	4.0
125.05982	2.4
127.07568	5.5
129.07030	5.1
131.05019	2.8
131.08571	2.5
133.10152	5.0
135.08072	6.6
139.07574	5.8
141.06967	4.6
142.07767	2.6
143.08641	2.6
145.06497	6.2
147.04477	3.0
147.08096	2.5
147.11694	26.8
155.04941	4.1
155.08536	2.5
157.06490	6.2
157.08745	2.5
157.10121	10.5
161.13315	4.0
165.12770	10.0
166.07693	2.0
169.06534	3.2
171.11749	6.9
173.05980	13.0
175.11234	13.1
183.04465	4.6
185.06015	5.2
187.03903	4.5
189.05478	3.2
189.12782	11.5
193.12282	11.3
197.06010	9.0
199.11154	11.2
201.05479	11.2
203.07065	6.2
207.13869	5.0
211.13254	2.6
212.77884	2.2
215.06889	2.9
217.12251	33.1
225.05481	7.6
228.07816	7.1
229.05035	14.5
229.08568	15.5
235.13327	21.8
243.06570	2.7
253.04904	5.0
253.14357	7.0
271.06064	100.0
271.09668	29.7
272.06299	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	271.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07583	8.0
55.05523	17.5
66.91911	7.5
67.05501	20.1
68.99772	7.8
69.01053	56.4
69.07040	9.4
69.08281	7.5
79.05512	7.9
81.07061	23.2
83.08637	8.9
91.05501	20.1
93.07055	33.9
95.08632	13.0
105.07046	15.8
107.08604	10.5
119.08537	10.1
121.06509	33.1
123.93752	8.9
147.11694	17.7
157.08575	8.9
164.02856	7.5
165.12767	13.0
173.09520	9.1
181.10034	7.7
199.11284	9.6
209.91335	7.5
217.12279	34.9
235.13286	28.3
253.14417	8.9
271.05966	100.0
287.20270	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	271.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76870	1.4
68.99792	1.9
69.07082	1.4
70.06590	60.2
70.59313	2.7
85.22471	1.3
86.09711	31.4
116.07092	100.0
128.10709	21.7
147.12379	1.5
156.10251	3.0
172.95900	1.3
201.05424	1.8
203.07060	1.7
210.56340	1.3
229.05032	1.8
271.05963	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	271.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92132	1.5
56.62393	1.5
60.02452	1.5
69.15428	10.9
69.15814	3.3
69.88163	1.5
70.06207	2.9
70.06594	57.6
71.45654	1.3
86.09710	32.4
116.07095	100.0
128.10733	13.4
132.48206	2.0
156.10263	1.8
178.57120	1.8
271.06091	6.3
281.95071	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	271.1694
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.05510	3.6
57.03434	4.4
64.48243	2.5
67.05503	11.9
69.07073	4.1
71.04984	12.3
79.05500	15.1
81.07058	22.0
85.02890	4.1
85.06535	5.9
91.05478	25.9
93.07040	37.3
95.04979	10.7
95.08611	20.1
97.06533	2.6
98.22568	6.1
99.47547	2.7
105.07034	28.7
107.08603	29.7
109.06517	62.5
109.10201	4.0
111.08105	4.1
115.05437	3.1
117.07025	11.3
119.08583	21.4
121.06488	5.3
121.10141	6.0
123.08077	10.2
128.06226	10.4
129.07022	11.7
130.07802	4.8
131.08588	18.3
133.10165	5.9
135.08055	43.5
137.09624	13.8
141.06972	7.7
142.07770	11.2
143.08591	38.2
145.10141	31.3
147.08054	8.3
147.11653	4.3
149.09627	20.2
153.07013	6.5
154.07744	4.4
154.44359	2.6
155.08556	30.2
156.09363	21.0
157.10136	18.1
159.08025	12.0
159.11726	12.7
161.09634	7.7
165.07016	24.0
166.07643	3.3
167.08560	7.3
168.09322	6.5
169.10123	32.5
170.10919	5.9
171.08087	4.7
171.11694	58.0
172.12080	3.3
173.09627	7.3
179.08511	7.2
180.09308	24.7
181.10133	13.1
182.10706	4.2
183.07993	4.8
183.11700	13.8
185.09644	3.9
185.13264	14.7
187.11200	12.1
191.10638	3.2
193.10127	3.5
194.10861	6.6
195.11700	89.9
196.12497	18.7
197.09618	5.4
198.10432	10.9
201.12726	12.2
209.13246	10.6
210.14023	5.6
211.11293	7.7
211.14784	40.3
213.12756	100.0
214.13106	3.7
220.12479	6.2
227.14351	3.3
229.15933	26.4
233.28354	3.0
235.14755	6.3
253.15913	38.6
271.05942	21.3
271.16949	83.0
271.20117	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1691
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
53.04437	4.0
54.75681	3.6
57.03465	4.8
62.37194	3.4
67.05503	10.1
69.07057	4.3
71.05005	19.8
74.77802	4.1
78.54447	3.8
79.05507	21.3
81.07046	22.1
83.04972	4.3
84.99448	3.8
85.06545	9.8
91.05478	30.3
93.07031	40.2
95.04957	11.3
95.08614	21.8
105.07042	39.7
107.08602	41.2
109.06516	71.0
109.10196	6.4
115.05451	5.1
117.07014	10.8
119.08587	16.6
121.06513	3.9
121.81639	3.9
123.08042	10.2
127.07557	4.8
128.06206	9.4
129.07002	15.1
131.08568	25.8
133.10138	12.1
135.08069	43.6
137.09622	6.9
141.07004	13.0
142.07806	15.2
143.08542	49.4
145.10167	33.2
147.08023	13.7
149.09674	21.1
151.11179	6.8
153.06967	9.6
155.08546	30.9
156.09338	22.2
157.10078	20.0
159.08054	7.4
159.11716	13.3
161.09692	4.7
165.06982	35.4
167.08571	13.3
167.42668	3.6
168.09346	14.7
169.10088	34.7
170.10884	17.2
171.11691	70.3
173.09669	8.9
179.08572	8.4
180.09319	26.2
181.10109	18.5
183.07974	5.2
183.11678	14.9
185.13260	17.2
187.11183	12.3
195.11699	89.7
196.12421	22.0
198.10411	10.7
201.12747	11.4
209.13274	13.1
210.14027	12.2
211.11163	6.7
211.14798	50.0
213.12723	100.0
214.13275	4.9
229.15871	21.5
235.14819	8.9
238.13652	4.2
247.27122	4.0
253.15889	35.1
271.06021	22.4
271.16949	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
55.05516	33.8
57.07066	7.8
67.05509	25.6
68.99797	17.3
69.03398	3.4
69.03770	18.9
69.07072	41.1
71.04977	4.2
73.98829	2.0
79.05499	13.3
80.28462	2.3
81.07062	35.7
83.04987	2.4
83.08626	30.6
85.06548	4.3
85.10173	2.6
91.05487	11.5
93.07047	17.2
93.28653	2.2
95.08617	39.8
95.09194	1.7
96.53886	2.2
97.06525	8.0
97.10191	24.9
97.44365	2.0
99.04415	2.2
105.07059	13.0
107.04906	2.3
107.08566	13.1
109.10154	15.0
109.76803	2.3
111.00818	2.6
111.11716	7.8
115.58478	2.7
119.04945	3.6
119.08582	12.0
121.10161	17.2
123.08025	2.5
123.11707	6.7
125.09695	2.9
125.13251	3.2
128.06200	2.3
129.07016	3.8
133.10143	11.8
135.11696	12.1
137.09622	5.0
137.13275	4.7
139.11140	4.8
143.08510	3.2
147.11667	8.2
149.13249	5.3
151.11113	3.6
153.01784	3.8
155.04948	2.9
155.08499	3.6
157.06554	4.8
159.04520	3.0
159.08110	2.4
159.11691	3.6
161.09654	2.8
161.13254	6.5
165.12700	3.7
169.06354	2.3
173.06036	15.8
174.28212	2.3
175.14810	5.4
179.14325	4.2
183.04449	3.5
183.11745	2.6
185.05884	5.3
187.03877	3.8
187.90158	2.3
197.06017	6.9
201.05473	12.0
203.07057	8.0
211.11203	2.2
217.19553	13.6
225.05507	6.2
229.04926	13.3
235.20532	8.8
243.06578	3.6
253.04910	6.2
253.21657	6.1
254.09625	24.1
255.10370	14.1
269.10690	15.9
270.11499	12.4
271.06003	100.0
271.09521	4.3
271.12302	56.0
271.16873	4.2
271.23956	3.3
271.28152	3.8
272.06232	7.1
272.12692	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	272.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
57.03445	0.9
60.09246	0.3
61.02920	0.9
65.03943	6.4
67.05527	0.4
69.03425	2.6
69.94257	0.2
70.06598	1.5
70.18684	0.9
71.04975	0.3
73.02921	0.8
80.05021	1.1
81.03403	0.4
85.02904	7.1
87.04480	0.6
92.05004	68.8
93.05328	0.7
93.05802	6.4
94.06573	10.3
97.02884	1.4
98.06050	0.3
99.04488	0.4
101.02391	0.4
102.51711	0.2
103.03967	0.8
109.02875	0.5
110.06042	100.0
110.76393	0.3
111.05680	0.5
111.06384	1.5
116.07062	0.3
127.03943	1.7
145.04976	0.5
152.07043	2.6
156.07729	0.3
176.07059	0.5
182.08307	0.3
212.09196	0.5
226.08482	0.3
254.10220	3.3
271.94751	0.4
272.11279	25.3
273.11566	1.0
285.57202	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	272.1128
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
56.92665	0.3
57.03428	1.0
60.88791	0.4
61.02924	1.0
65.03940	6.8
67.05511	0.6
69.03448	2.1
69.33626	1.6
70.06601	2.4
71.04984	0.4
72.08152	1.4
73.02909	1.1
80.05009	0.9
81.03417	0.7
81.07041	0.9
83.06107	1.4
84.04486	0.7
84.08163	0.4
85.02905	7.2
86.06045	0.4
87.04441	0.5
90.96754	0.3
92.05003	66.1
93.04552	0.7
93.05311	0.7
93.05798	6.1
94.06565	11.2
95.06060	1.9
95.06960	0.4
97.02906	1.5
103.03939	0.7
108.04483	0.4
109.02907	1.1
110.06041	100.0
110.07130	10.1
111.06376	1.4
112.08728	0.6
116.07033	0.4
122.45351	0.3
126.12796	1.4
127.03925	1.6
130.04964	0.4
145.04922	0.5
151.03915	0.5
152.07036	2.8
156.07767	1.5
163.12326	0.7
169.04962	0.6
175.12070	0.5
176.07059	0.4
185.04672	0.4
187.84810	0.3
208.14456	1.3
212.09160	0.8
222.71884	0.3
226.15517	1.7
254.10255	3.0
254.14812	1.7
272.11292	28.6
272.15808	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	272.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84057	0.6
55.05517	1.9
56.05033	1.1
62.69897	0.8
62.75448	0.6
65.03938	1.3
69.03430	1.0
69.10620	1.8
69.11037	3.1
70.02963	3.8
70.06597	65.7
71.04976	0.7
71.06940	1.3
72.08158	1.9
79.05508	1.7
81.03423	0.9
81.04528	1.1
81.07059	7.6
82.05338	2.0
83.06100	7.0
84.04501	0.9
84.08147	1.3
85.02897	1.2
86.09708	2.4
87.05599	33.9
91.36591	0.6
92.05015	12.1
93.04529	4.9
93.05811	1.1
94.06588	2.0
95.06099	10.8
97.02972	0.6
98.02419	1.4
98.22530	1.3
98.97566	0.7
110.02415	1.2
110.06044	18.4
110.07170	73.5
111.05577	1.1
111.07523	0.7
112.03989	1.0
112.08743	3.3
114.10326	0.7
115.05054	8.7
116.07098	100.0
117.07433	0.8
125.07104	1.5
126.12778	2.3
129.05669	1.1
129.06613	7.2
130.04953	0.7
139.05042	0.6
139.08618	0.7
150.05534	1.2
151.03943	1.3
153.01833	4.6
154.02147	1.2
156.07703	7.7
157.06076	8.0
163.12337	4.6
168.06578	1.2
169.04956	2.1
171.07574	0.7
173.09212	5.1
185.04474	1.0
185.09177	3.5
186.88766	0.7
190.13373	3.0
196.06068	8.8
208.14487	8.9
210.16042	1.0
211.14523	0.9
212.01019	2.9
213.00688	0.8
226.15501	15.4
227.10292	1.5
228.04105	0.7
254.01964	1.3
254.10376	0.9
254.15024	11.5
255.09865	3.1
272.03162	1.4
272.11652	7.8
272.16040	59.7
273.16400	1.7
290.04211	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	272.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15148	6.8
67.05512	11.8
69.07075	9.3
69.35622	5.8
70.06602	7.7
71.29764	6.7
73.03044	6.1
79.05503	13.1
79.69922	6.0
81.03419	7.2
81.07075	17.9
91.05494	24.2
93.07034	13.7
95.04984	15.5
95.08608	19.2
96.35532	7.6
98.09688	7.0
105.07029	16.0
107.08590	10.4
110.06044	11.2
117.07027	6.6
119.08604	10.6
121.06547	8.6
121.10148	8.0
123.04430	29.4
125.03665	6.0
131.08568	7.9
133.10158	24.5
145.10164	15.8
147.08084	20.8
159.11768	10.4
167.14304	8.1
219.17468	6.8
220.31984	6.5
222.93600	6.6
230.03600	5.6
233.14041	6.2
257.27328	6.5
272.06375	28.9
272.11227	15.4
273.10931	100.0
273.18497	20.4
274.04413	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	273.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08559	2.6
53.11300	2.4
55.01867	3.0
55.05505	2.6
56.85354	2.7
68.99804	4.1
69.37393	19.2
79.01849	4.4
79.05485	5.5
81.03414	4.6
81.07037	3.3
85.02913	5.3
86.36169	3.1
91.05490	4.7
93.07052	2.9
95.04967	4.4
95.08615	3.8
97.06512	3.1
103.03944	5.8
105.07024	4.0
115.05472	8.5
119.04974	4.9
121.06509	10.6
123.04443	42.8
131.04929	3.3
135.04442	5.3
139.03885	9.8
143.03398	8.1
143.04951	5.0
145.06493	4.0
147.04427	9.9
149.05972	4.3
151.03951	3.7
152.06190	3.2
153.01834	100.0
153.02931	7.5
153.05486	5.3
153.06993	6.3
161.06050	4.0
163.03976	14.5
167.03421	21.8
171.04431	12.1
181.06531	6.7
181.08594	4.3
184.07324	6.3
189.05472	11.3
195.02928	25.6
197.05930	3.5
199.03883	14.9
203.07011	3.3
213.09184	4.7
217.04961	4.2
217.24980	3.2
227.03488	6.8
237.03769	3.3
241.08572	5.1
245.04446	12.1
255.04910	6.7
273.03897	35.0
273.07382	25.3
273.10220	4.1
274.06958	3.4
274.14496	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	273.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08559	2.6
53.11300	2.4
55.01867	3.0
55.05505	2.6
56.85354	2.7
68.99804	4.1
69.37393	19.2
79.01849	4.4
79.05485	5.5
81.03414	4.6
81.07037	3.3
85.02913	5.3
86.36169	3.1
91.05490	4.7
93.07052	2.9
95.04967	4.4
95.08615	3.8
97.06512	3.1
103.03944	5.8
105.07024	4.0
115.05472	8.5
119.04974	4.9
121.06509	10.6
123.04443	42.8
131.04929	3.3
135.04442	5.3
139.03885	9.8
143.03398	8.1
143.04951	5.0
145.06493	4.0
147.04427	9.9
149.05972	4.3
151.03951	3.7
152.06190	3.2
153.01834	100.0
153.02931	7.5
153.05486	5.3
153.06993	6.3
161.06050	4.0
163.03976	14.5
167.03421	21.8
171.04431	12.1
181.06531	6.7
181.08594	4.3
184.07324	6.3
189.05472	11.3
195.02928	25.6
197.05930	3.5
199.03883	14.9
203.07011	3.3
213.09184	4.7
217.04961	4.2
217.24980	3.2
227.03488	6.8
237.03769	3.3
241.08572	5.1
245.04446	12.1
255.04910	6.7
273.03897	35.0
273.07382	25.3
273.10220	4.1
274.06958	3.4
274.14496	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	273.0757
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
53.03955	0.7
59.85375	0.5
60.02662	0.5
63.13895	0.4
67.05498	0.9
68.99792	2.5
69.61069	2.9
77.03914	1.3
79.05472	0.6
79.43066	0.5
82.30982	0.5
83.04972	1.0
86.80254	0.5
91.05478	1.1
95.04969	2.8
105.03403	2.5
107.04963	1.9
111.00809	2.4
111.04447	1.6
121.06473	1.2
123.04435	100.0
124.04768	1.7
135.04437	5.8
137.06044	0.7
139.03903	2.9
147.04413	7.1
149.05995	1.7
151.03879	1.7
151.07584	1.3
152.06183	1.0
153.06940	3.1
157.06592	0.6
160.78737	0.6
161.05975	0.7
163.03920	5.9
163.07581	2.0
171.08076	0.7
181.06448	4.8
189.05458	3.2
195.08084	0.7
203.07086	0.6
209.05949	0.7
213.09071	3.2
227.07063	0.9
241.08630	2.3
255.06631	1.7
258.25470	0.6
264.31378	0.6
273.04062	2.0
273.07590	13.1
273.10806	1.2
274.07822	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	273.0756
Annotation	p-Coumaroyltriacetic acid lactone
Peak:m/z	Relative Intensity
51.02395	0.2
51.23816	0.2
53.03945	0.6
57.71605	0.2
59.31515	0.2
60.28955	0.2
65.03957	0.7
67.01872	2.5
67.05523	0.3
69.03439	0.2
70.06594	0.3
71.04984	0.4
77.52376	0.2
79.05499	0.3
81.03428	2.5
81.07059	0.3
83.08646	0.2
91.05487	10.3
95.05008	0.2
97.02896	1.6
98.23386	0.3
99.04464	0.7
105.07042	0.2
107.04953	0.2
108.53358	0.2
109.02885	6.3
111.04465	0.3
117.07001	0.2
119.04951	28.3
120.05274	0.4
121.06540	0.6
123.04424	0.5
127.03926	5.9
129.07056	0.3
131.04953	0.3
132.10143	0.2
134.03645	0.3
135.04416	0.3
147.04419	100.0
148.04759	2.4
149.06020	1.1
151.07542	0.3
152.06219	0.7
153.06993	1.7
157.06511	0.4
170.07228	0.2
171.08035	0.2
180.05695	0.2
181.06520	2.1
185.05986	0.7
191.03336	0.3
198.06789	0.4
199.07564	0.4
209.05989	0.3
213.05496	0.9
213.09093	1.3
227.07018	0.6
231.06653	0.3
241.08603	1.1
242.73712	0.2
249.70345	0.2
255.06502	1.6
255.09016	0.2
255.10077	0.2
272.25790	0.4
273.07605	4.8
273.10971	0.8
273.18533	0.6
273.22879	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	273.0758
Annotation	p-Coumaroyltriacetic acid lactone
Peak:m/z	Relative Intensity
55.01903	0.2
55.05519	0.3
65.03659	0.1
65.03918	0.8
67.01866	3.6
67.05510	0.3
69.07055	0.4
70.06602	0.2
70.20449	0.2
71.05004	0.4
79.05505	0.3
81.03419	0.3
81.07066	0.2
85.02925	0.4
88.07648	0.2
91.05486	11.8
93.07067	0.2
95.05045	0.2
97.02901	1.1
98.23428	0.5
99.04479	0.8
106.08698	0.6
107.08606	0.3
109.02870	0.3
109.10157	0.2
115.65968	0.2
117.06987	0.3
119.04948	27.1
119.08601	0.3
120.05245	0.5
123.04456	1.1
127.03922	7.9
129.10532	0.2
145.06529	0.2
147.04414	100.0
148.04729	2.1
149.05989	0.5
152.06198	0.3
153.06958	0.9
154.87947	0.2
157.06519	0.3
159.11635	0.2
165.06937	0.2
169.06514	0.2
171.08105	0.2
171.11665	0.2
175.49149	0.2
181.06516	0.9
185.06015	0.7
189.81226	0.2
198.06773	0.2
199.07552	0.4
203.47476	0.2
209.05956	0.2
213.05486	0.6
213.09088	0.6
227.06912	0.5
229.12163	0.2
229.14096	0.2
231.06535	0.2
241.08574	0.7
245.08063	0.2
255.06494	1.3
269.22726	0.2
272.25720	0.3
273.07648	4.1
273.10779	0.5
273.18631	0.3
273.22028	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	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04664	0.5
51.02382	0.4
63.97784	0.3
66.01160	0.3
67.01867	2.9
68.99789	2.2
69.03440	1.7
69.07056	0.4
69.27861	1.9
69.28255	0.7
81.07021	0.4
83.01353	0.7
91.05487	8.3
95.04958	2.2
97.02871	1.3
107.04956	2.0
111.00788	0.5
119.04953	17.5
121.02848	0.5
121.05238	0.3
121.06485	0.5
123.04438	10.2
125.02322	0.3
135.37784	0.3
139.03844	0.7
145.06435	0.4
147.04410	44.6
148.04752	1.1
151.03896	0.7
153.01830	100.0
154.02162	1.8
164.28688	0.3
171.02908	1.9
179.03447	0.9
189.05478	1.0
203.07155	0.5
207.06621	0.6
227.07124	0.5
231.06552	0.6
255.06557	0.8
255.10153	0.5
273.07581	61.4
274.07941	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	273.0756
Annotation	4,2',3',4'-Tetrahydroxychalcone
Peak:m/z	Relative Intensity
53.03937	1.0
55.01856	0.7
55.05500	0.9
65.03935	1.0
67.01873	0.9
67.05497	1.1
68.99783	3.4
69.01266	4.9
69.03406	1.1
69.07083	0.7
79.05487	0.8
81.07063	1.5
83.08591	0.7
83.69079	0.6
91.05488	13.2
93.07034	0.6
95.04958	1.8
95.08594	0.6
97.02910	0.7
104.36221	0.7
105.07030	1.8
107.04967	2.1
109.06550	0.7
111.00807	1.2
111.04431	0.7
111.08108	0.9
115.05430	0.9
115.44527	0.6
117.07013	1.6
119.04945	30.7
121.02892	0.8
121.06498	1.4
123.04431	25.7
129.01845	0.7
129.07010	1.4
131.08566	2.1
133.06464	0.6
135.04390	1.5
139.03925	1.1
145.06444	1.8
145.10155	0.9
147.04411	100.0
148.04774	2.4
148.39319	0.7
148.49614	0.6
151.03900	0.9
152.27853	0.6
152.85210	0.6
153.01828	35.4
157.06468	1.1
159.08083	0.6
160.05159	0.9
161.06041	1.2
163.03879	1.9
171.02899	4.0
171.04330	1.1
171.08000	0.9
173.06010	1.9
175.07590	5.5
181.06485	0.6
185.05991	1.2
187.07645	0.9
188.08279	1.0
189.05353	2.9
195.11823	0.9
199.07515	0.9
203.07082	6.3
204.07957	1.1
213.09033	0.8
229.08606	9.0
241.12248	2.0
242.12968	1.8
255.10193	1.5
273.04053	2.8
273.07550	35.9
273.11185	14.6
273.14859	3.2
273.18448	1.8
274.07977	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	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04675	0.4
51.37844	0.3
55.01864	0.5
55.05510	0.5
57.03436	0.4
65.03945	0.9
65.35906	0.3
67.01869	2.9
67.05527	1.6
68.99797	2.4
69.03417	1.9
69.07056	0.4
70.02859	0.3
70.03199	0.9
74.10621	0.3
79.05486	0.8
81.03408	0.3
81.07063	0.9
83.01393	0.4
91.05482	10.0
93.07043	0.8
95.04971	4.6
95.08617	0.8
97.02899	1.3
98.23304	0.3
105.07034	0.8
107.04955	2.3
107.08559	0.7
109.10152	0.4
111.00809	1.2
111.04475	0.6
117.06997	1.0
119.04948	18.4
119.08583	1.1
121.02807	0.4
121.06524	1.0
123.04436	10.0
129.01939	0.3
129.07007	0.6
131.08560	0.9
133.10098	0.5
135.04413	0.6
139.03935	0.3
140.75792	0.3
145.10149	0.8
147.04413	44.1
147.08052	5.1
148.04739	0.4
151.03918	1.0
153.01831	100.0
154.02150	1.6
157.10075	0.9
159.08043	0.4
161.05992	0.7
163.04019	0.5
163.07565	0.7
169.10185	0.4
171.02945	2.6
171.04271	0.5
171.11757	0.4
179.03415	0.8
189.05453	1.0
197.13382	0.4
199.11247	0.4
213.16423	0.4
215.14346	0.5
219.12489	0.3
231.06546	0.5
255.06561	0.6
255.17471	0.8
259.53610	0.3
273.07578	62.6
273.18515	2.2
274.07919	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	273.1124
Annotation	Eulophiol
Peak:m/z	Relative Intensity
51.02404	1.2
53.03948	2.3
55.01889	2.2
55.05522	1.5
64.89795	1.0
67.05507	3.8
67.07314	1.0
68.99798	4.0
69.03427	2.1
71.30016	1.9
77.03935	2.6
79.05495	2.1
81.03411	1.2
81.07066	3.9
85.02912	1.3
87.00837	1.0
91.05482	11.8
93.07050	1.7
95.04991	5.3
95.08593	2.0
97.99493	1.0
103.05459	3.2
105.03432	3.0
105.07038	2.0
107.04958	5.5
108.05744	1.2
109.06535	1.3
111.00825	4.0
111.04422	2.6
111.08048	1.3
114.02708	1.0
115.05479	2.9
117.03439	1.1
117.07003	1.4
119.04982	5.2
121.06512	24.4
123.04435	100.0
124.04716	1.4
129.06992	1.3
131.04950	4.5
133.02873	2.3
133.10161	1.7
134.03636	5.4
135.04413	11.8
136.05231	2.1
137.02361	1.2
137.05965	10.2
139.03912	4.3
141.07065	2.4
142.07816	2.2
145.06555	2.3
145.10150	1.2
147.04390	7.2
148.05199	3.4
149.05984	45.8
150.06673	1.7
151.03889	3.1
151.07559	27.9
152.06206	20.2
153.01894	1.1
153.07001	74.8
154.07434	1.5
155.04906	1.4
155.08527	1.6
161.05946	1.9
163.03902	6.9
163.07526	3.6
165.07016	2.9
167.08611	6.4
169.06506	7.5
169.07793	1.4
170.07262	10.7
171.04401	1.8
171.08083	1.2
174.06825	1.3
175.07573	3.2
177.05539	1.8
177.07013	2.7
177.09158	1.7
179.07071	1.8
180.05719	4.8
181.06490	87.1
182.07256	5.6
185.09665	3.2
189.05510	4.4
195.08093	11.4
197.05977	6.8
198.06776	11.8
199.07434	3.6
203.07091	1.9
209.05994	18.1
210.06781	2.1
211.07651	1.2
213.09116	54.6
214.09465	2.1
217.05003	1.8
223.07555	4.7
226.06259	3.9
227.03456	1.2
227.10677	2.6
229.05020	1.3
230.05948	1.3
241.08600	55.9
242.09264	5.7
245.04491	2.6
245.11668	2.4
255.06523	1.1
255.10115	1.8
258.08990	1.3
273.03970	20.4
273.07602	22.1
273.11249	32.3
273.18802	1.4
274.04694	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	275.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	2.1
59.67053	0.6
65.73907	0.5
69.07077	1.1
70.06577	1.0
71.29234	0.7
79.05484	0.9
81.05960	0.5
84.04506	40.1
84.08143	0.6
85.02888	0.6
86.09706	100.0
87.10040	1.2
97.41354	0.5
102.05546	12.1
107.04971	1.2
116.07106	4.3
117.03329	0.6
135.04407	0.6
144.06560	40.1
145.06975	0.7
146.06059	0.7
149.02260	0.6
153.01807	1.3
162.07617	76.4
163.03879	2.5
163.07971	1.6
167.68323	0.5
173.02365	0.6
188.07086	2.5
191.03381	6.7
201.01779	0.8
203.03358	0.9
204.99400	0.6
205.01411	0.7
205.09702	1.0
215.13908	1.6
219.02928	4.3
243.13470	1.0
247.02454	4.2
257.15134	0.6
275.01849	7.8
275.04947	0.9
275.16031	7.8
276.02188	1.2
276.16428	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03944	1.4
55.01862	3.9
55.05516	13.0
57.03428	2.5
57.07074	1.4
61.07714	0.9
62.13769	0.9
65.03942	1.6
67.05182	1.4
67.05508	18.9
69.03416	2.0
69.07069	13.0
70.06575	0.9
71.04991	2.9
77.44855	0.9
77.77851	0.8
78.10809	1.0
79.05495	19.4
81.03417	1.0
81.07061	20.8
83.04973	3.2
83.08624	4.1
85.06531	1.9
91.05480	24.7
93.06477	1.3
93.07047	22.2
95.04938	5.6
95.08611	12.3
97.06526	4.2
97.10177	1.2
103.05499	1.4
104.53729	1.2
105.07036	36.1
107.04966	6.9
107.08596	15.5
108.77352	1.1
109.06501	6.6
109.10160	5.9
111.08079	16.4
117.07016	7.3
119.08584	24.9
121.06506	6.4
121.10127	8.2
122.07307	2.1
123.08060	11.5
123.11720	2.3
125.09607	1.8
129.07011	2.9
131.08580	11.5
133.06493	2.2
133.10143	21.1
135.08063	15.7
135.11710	4.4
137.09645	4.0
143.08601	1.6
145.10114	11.7
147.08060	3.0
147.11700	11.5
149.09631	9.2
149.13196	1.8
151.11162	2.1
155.08517	1.4
157.10130	2.2
159.11688	7.6
161.09647	3.0
161.13306	3.7
163.11217	5.9
163.14685	1.0
165.12787	3.6
169.10110	2.3
171.11681	3.1
173.09570	1.5
173.13322	4.5
175.11166	2.0
176.11998	3.3
177.12679	2.4
181.12267	8.2
183.11751	2.7
191.14311	57.0
192.14745	1.3
197.13231	2.1
199.14812	1.9
204.68552	0.9
211.14876	1.2
213.16365	1.4
215.17931	1.5
217.15889	1.2
219.13742	1.0
229.19719	2.0
233.19116	1.4
239.17967	4.1
257.18936	8.0
275.20081	100.0
275.27707	7.5
276.20486	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.37183	1.0
53.03946	3.9
55.01884	6.7
55.05513	15.6
57.03443	2.8
57.07071	4.5
65.03953	1.9
67.05505	31.7
69.03426	3.0
69.07072	10.4
69.52343	5.1
70.06596	3.0
71.04980	2.3
79.05497	33.4
81.03415	2.7
81.07060	69.3
82.06591	1.1
83.04989	5.6
83.08633	6.7
88.07652	5.3
89.07958	2.1
91.05489	39.8
93.07049	31.2
95.04984	8.4
95.08608	21.2
97.06550	5.8
97.10175	2.5
98.97591	1.1
99.08101	1.3
102.09188	1.4
103.05524	1.7
105.04493	1.7
105.07034	43.5
106.08673	2.7
107.04961	15.7
107.08588	19.5
109.06532	25.1
109.10178	9.2
110.06804	1.5
111.08080	3.1
117.07024	8.7
119.08585	32.9
120.08981	1.2
121.06505	9.7
121.10155	12.7
123.08070	7.5
123.11709	3.1
124.11249	1.4
125.09689	1.2
129.07045	4.2
130.07791	1.3
131.08582	15.0
133.06482	3.0
133.10135	33.8
135.08043	7.4
135.11667	6.4
137.09637	3.9
143.08597	2.8
145.06487	1.1
145.10121	14.1
147.08083	3.0
147.11697	19.5
149.09622	9.1
149.13258	5.1
151.11203	4.3
155.08546	3.2
157.10144	3.3
159.08087	1.9
159.11678	11.0
161.09613	2.8
161.13266	5.4
163.11169	6.5
163.14879	1.7
165.12793	3.1
169.10112	1.5
171.11697	3.2
173.09692	1.4
173.13272	4.7
175.11162	3.5
175.14792	1.4
177.12732	3.4
183.11688	3.0
185.13258	1.3
187.11206	3.6
187.14897	1.9
189.12813	1.8
191.14256	1.7
193.12279	4.5
197.13275	1.7
199.14864	1.5
201.12770	2.2
213.16341	1.6
215.14291	1.5
215.17995	2.0
217.15855	1.5
219.17494	1.2
229.19606	3.6
233.15388	1.3
239.17970	5.9
247.20561	7.6
257.18997	12.1
257.26978	1.5
274.27448	1.7
275.20081	100.0
275.27753	40.8
275.30807	1.8
276.20572	5.2
276.26810	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.79135	1.3
53.03943	2.2
55.01868	2.7
55.05317	1.3
55.05519	13.5
57.03429	2.6
57.07075	6.7
58.07427	1.4
64.21555	1.3
67.05506	20.0
69.07074	12.4
70.06601	6.6
71.04990	5.0
71.06933	2.9
71.08634	2.0
79.05496	22.5
81.07062	27.2
83.04981	5.2
83.08617	5.6
84.88387	1.3
85.06538	3.1
88.07648	9.6
89.07986	2.1
90.20518	1.2
91.05486	40.2
93.07053	23.3
95.04954	3.9
95.08605	14.4
97.06527	2.0
97.10195	1.9
98.23452	2.5
102.09174	2.0
103.05482	2.3
105.07033	55.8
106.08676	4.7
107.04945	6.7
107.08579	17.0
109.06517	9.2
109.10172	8.2
111.08085	4.3
117.07021	12.0
117.94576	1.4
119.08588	35.4
121.06512	4.7
121.10146	13.5
123.08083	5.4
123.11732	2.4
125.09595	2.1
129.07027	5.1
131.08577	21.5
133.10135	40.3
135.08067	9.7
135.11694	4.4
137.09621	4.5
142.07805	2.3
143.08560	5.8
145.10127	16.6
147.11688	17.6
149.09633	6.4
149.13345	1.6
151.11145	2.0
155.08589	2.2
157.10123	9.7
158.10965	1.5
159.08064	2.0
159.11690	18.4
161.09705	2.5
161.13240	7.0
163.11206	4.0
165.12775	1.6
169.10156	2.2
171.11668	5.1
173.13284	16.5
175.11211	5.6
175.14796	3.6
177.12772	4.4
183.11699	4.3
185.13310	2.7
187.11151	1.5
187.14807	2.6
191.14297	4.5
197.13336	4.0
199.14842	3.6
201.12724	4.1
213.16275	1.7
215.18010	1.7
217.15747	1.8
229.19519	2.2
233.15459	1.8
239.18040	6.9
247.20615	3.6
257.19012	13.8
257.26691	3.9
274.27457	6.8
275.20084	100.0
275.27759	70.5
276.20303	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03955	4.0
55.01875	7.6
55.05512	15.4
57.03442	1.2
57.07060	1.8
60.04077	0.9
67.05508	21.8
69.07073	11.8
70.06565	1.1
71.04978	1.6
71.30322	1.2
74.47954	0.7
79.05495	21.1
81.03425	2.3
81.07059	40.8
83.04987	3.5
83.08620	4.8
85.06528	1.3
88.07651	1.2
91.05483	52.1
93.07043	19.0
95.04965	3.7
95.08611	15.8
97.06538	8.3
97.10143	2.0
97.80186	0.9
99.73369	0.9
103.05459	2.3
105.07033	100.0
106.07350	1.4
107.04952	5.0
107.08598	9.0
109.06501	2.3
109.10174	4.1
115.05453	1.1
117.07036	10.5
118.07825	0.8
119.08579	40.3
120.08937	0.9
121.06506	2.8
121.10136	3.7
123.08028	1.2
123.11705	1.2
125.09605	1.6
129.07001	1.1
131.08566	20.9
133.10130	56.0
134.10530	1.0
135.08067	2.0
135.11693	3.5
143.08524	2.0
145.10124	14.5
147.07993	1.0
147.11696	18.7
149.09619	3.4
149.13310	1.5
151.11186	1.2
155.08525	1.8
157.10121	2.7
158.80112	0.8
159.11707	8.1
161.09697	1.2
161.13275	2.5
163.11238	1.4
165.09155	2.0
169.10132	1.6
171.11728	2.7
173.13271	2.9
179.14346	1.5
183.11705	2.3
185.13231	1.3
187.11163	1.1
196.42203	0.9
197.13225	1.5
226.64948	0.9
229.19498	1.5
239.18024	2.2
247.17036	1.5
247.20567	2.5
257.18988	5.5
275.20065	78.2
275.27783	10.5
276.20444	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.14218	0.6
50.31985	0.8
53.03950	1.9
55.01875	1.6
55.05516	12.9
57.07072	0.7
59.05009	0.8
65.03938	1.6
67.05510	23.4
69.03413	0.9
69.07073	9.9
69.77235	2.4
70.92848	0.6
71.04997	2.3
79.05499	24.1
81.07062	20.5
83.04996	1.4
83.08643	4.7
91.05486	100.0
92.05820	1.7
93.07046	16.2
95.04965	2.0
95.08618	11.8
97.06524	2.7
97.10163	3.1
98.97606	1.0
103.05478	2.1
105.07037	56.3
106.07345	0.9
106.82422	0.8
106.99538	0.7
107.08592	7.6
109.06504	0.8
109.10172	3.0
111.08104	0.8
117.07021	9.7
119.08588	58.8
120.08889	0.9
121.06506	1.2
121.10155	10.0
123.08108	1.2
125.09641	0.9
129.07016	3.0
131.07562	1.2
131.08575	28.5
133.10136	47.7
134.10449	0.9
135.08086	0.9
135.11697	3.7
137.09583	1.5
139.11183	1.0
141.07036	1.1
143.08575	1.8
145.10127	10.6
147.08011	0.9
147.11690	17.8
149.09592	1.5
155.08560	1.4
157.10143	8.0
159.11687	6.1
161.09601	0.8
161.13286	6.9
163.11226	1.0
169.10130	2.5
171.11722	6.1
173.13274	2.7
175.11168	1.4
177.12796	1.0
183.11751	2.1
193.12263	1.9
197.13235	1.9
211.14853	1.9
219.13835	0.9
229.15794	1.0
229.19453	1.0
239.17990	4.2
257.19040	8.9
275.20068	87.7
276.20401	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03944	4.1
55.01863	5.5
55.05513	13.1
57.03438	2.9
58.56646	1.2
65.03936	1.6
67.05505	22.8
69.07080	11.1
71.04999	4.4
71.28465	2.0
79.05495	27.0
81.03437	1.8
81.07064	45.3
83.04996	4.3
83.08609	5.8
91.05485	31.0
91.06016	2.4
93.07050	24.8
95.04977	8.8
95.08604	16.4
97.06541	4.7
99.10043	1.5
105.04559	1.9
105.07037	44.5
107.04963	14.6
107.08594	18.7
109.06526	18.8
109.10166	7.1
117.07055	9.3
119.08584	30.9
121.06528	7.8
121.10175	8.6
123.08060	6.4
123.11713	1.7
125.09654	2.4
129.06999	2.0
131.08563	16.5
133.06490	3.0
133.10141	30.1
135.08052	6.8
135.11684	6.3
137.09647	2.9
141.06978	2.0
143.08539	3.4
145.10127	13.1
147.07967	2.2
147.11696	17.5
149.09610	9.8
149.13300	2.5
151.11234	2.2
157.10109	4.5
159.11745	7.5
161.09662	1.8
161.13312	3.9
163.11172	4.5
165.12846	2.0
169.10036	2.7
171.11725	2.0
173.13271	5.2
175.11238	3.2
177.12691	3.6
183.01967	1.4
186.14125	1.3
187.14873	2.0
189.12715	1.3
197.13237	2.3
201.12869	1.8
229.19501	2.5
239.17880	3.2
247.20625	5.7
257.19000	8.9
257.21533	1.4
258.19003	1.6
275.20074	100.0
275.27826	4.6
276.20428	5.7
297.54382	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03945	2.2
55.01869	3.4
55.05518	12.6
57.03442	2.0
65.03943	1.4
67.05507	21.4
69.03423	1.1
69.07071	11.1
71.04991	1.9
79.05494	22.2
81.03429	1.0
81.06584	1.4
81.07063	23.4
83.04980	3.1
83.08616	6.5
85.06547	1.8
91.05483	38.8
93.07047	20.9
95.04967	4.3
95.08054	1.3
95.08608	15.5
97.06534	3.7
97.10172	2.1
99.59169	0.9
103.05492	1.7
105.04503	1.0
105.07035	56.9
107.04980	4.9
107.08604	19.3
109.06525	5.0
109.10150	7.1
111.08091	2.2
115.05471	1.8
116.98650	0.9
117.07014	10.4
119.05003	1.0
119.08587	31.3
121.06518	5.4
121.10146	10.1
123.08065	3.5
123.11713	1.5
125.09623	2.3
129.07010	2.6
130.07779	1.0
131.08574	15.4
133.06526	1.0
133.10136	30.8
133.96999	0.7
135.08060	4.3
135.11662	5.2
137.09630	3.5
141.06950	1.1
143.08549	2.7
145.10124	14.2
147.04402	1.5
147.08093	1.9
147.11700	20.7
149.09636	8.8
149.13243	1.2
151.11200	2.9
155.08554	1.7
157.10179	2.6
159.08055	0.9
159.11691	9.4
161.09605	1.5
161.13257	5.8
163.11212	6.4
165.09065	1.1
165.12715	1.6
169.10184	2.1
171.11690	2.7
173.13310	5.9
175.11240	2.5
175.14815	1.6
177.12764	3.5
183.11693	2.6
187.11168	2.1
187.14830	1.5
187.51669	0.8
191.14352	1.6
197.13258	2.4
199.14870	1.2
201.12878	1.0
208.94815	0.9
213.16599	0.9
215.14333	1.3
215.17967	1.3
229.19397	3.7
233.15417	1.0
233.19078	1.0
239.17902	5.7
247.20540	3.8
257.16293	1.4
257.18988	11.7
275.20078	100.0
276.20370	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	5.4
55.05508	18.8
56.76413	5.0
57.07087	6.3
59.16207	5.1
60.84967	5.1
67.05517	29.0
69.07063	8.0
79.05496	39.0
81.07054	29.5
83.84559	6.0
91.05481	23.9
93.07041	18.7
95.08608	17.4
97.06512	6.2
105.07056	45.8
107.04967	19.6
107.08581	24.8
109.06532	7.2
109.10168	13.2
117.07067	11.0
119.08556	26.4
121.10184	9.9
123.08089	5.8
125.09634	5.1
131.08582	15.9
133.10159	30.8
135.08080	9.0
145.10144	19.4
147.11705	21.5
149.09656	37.1
149.10654	7.7
159.11676	8.1
161.13245	5.0
229.19530	6.5
239.17943	4.9
239.82318	5.0
250.74681	5.6
257.19019	13.9
275.20105	100.0
275.27716	40.4
291.27014	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03951	4.8
55.01873	6.0
55.05511	14.2
57.03446	4.5
57.07074	1.2
58.05965	0.7
59.78501	0.8
65.03944	2.5
67.05502	28.3
69.03386	2.5
69.03664	4.5
69.07066	10.8
71.04987	4.3
71.08615	0.9
79.05492	44.3
80.05837	0.8
81.03420	3.9
81.07054	100.0
82.07383	0.7
83.04987	3.6
83.08619	4.8
85.06552	1.5
91.05479	47.8
93.07041	24.1
95.04961	6.4
95.08605	16.0
97.06525	6.5
97.10152	1.5
99.08075	1.6
102.94159	0.7
103.05480	1.2
104.06231	0.9
105.04514	1.4
105.07027	50.5
106.07340	0.9
107.04959	6.0
107.08593	14.7
109.06517	40.3
109.10144	5.6
111.08086	1.7
115.05430	1.3
117.07014	10.3
119.08575	30.2
121.06476	3.9
121.10153	10.7
123.04422	0.9
123.08055	5.3
123.11707	3.3
125.09632	1.5
128.06219	1.2
129.06985	2.4
130.07829	1.1
131.08574	16.5
133.10130	26.8
134.10498	0.8
135.08061	5.2
135.11693	5.7
137.09634	2.6
143.08553	1.8
145.06456	0.9
145.10120	10.9
147.08049	2.1
147.11679	16.2
149.09639	5.3
149.13284	6.2
151.11157	2.7
157.10167	3.8
159.11702	9.4
161.09621	1.3
161.13309	3.9
163.11113	3.6
163.14833	3.0
165.12680	1.7
169.10144	0.9
171.11694	1.6
173.09590	1.2
173.13255	5.2
175.11252	2.0
175.14838	1.6
177.12781	2.0
183.11705	1.9
185.13332	0.9
187.11162	1.5
187.14720	0.9
189.12784	1.2
193.12285	4.8
197.13216	0.9
201.12857	1.0
201.16405	1.0
203.14307	1.3
219.17545	4.1
229.19556	3.2
233.15341	1.2
239.17897	2.6
247.20502	3.9
257.18988	4.7
258.19482	0.8
275.20047	74.5
275.27737	3.0
276.20453	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	2.3
55.01863	3.1
55.05274	1.1
55.05517	15.4
57.03429	1.7
57.07069	0.9
59.04991	0.8
62.69024	0.7
65.03946	1.4
67.05509	21.2
68.74553	0.6
69.03426	1.1
69.07076	9.1
69.19265	4.9
71.04990	2.4
75.89813	0.6
77.03928	0.8
79.05495	21.7
81.03425	0.8
81.07063	24.4
83.04982	2.9
83.08618	6.8
85.02866	0.8
91.05486	35.3
93.07048	22.9
94.07416	0.8
95.04944	3.7
95.08607	14.2
97.06528	5.1
97.10160	2.4
98.22683	1.3
103.05470	1.6
105.07038	46.9
106.07324	0.9
107.04959	5.3
107.08591	15.0
109.06528	5.1
109.10168	7.8
111.08092	2.4
115.05392	0.7
117.07027	12.4
119.08586	34.6
121.06512	5.4
121.10145	10.4
123.08084	3.4
123.11716	1.1
125.09660	1.2
129.07033	2.3
130.07841	0.9
131.08572	13.0
133.06500	1.5
133.10133	30.7
135.08069	5.8
135.11697	3.9
137.09644	3.3
139.11203	0.9
141.06995	1.2
142.07809	0.8
143.08553	2.2
145.10127	14.4
146.10919	0.8
147.08018	1.8
147.11696	17.2
148.08829	0.9
149.09625	13.4
149.13268	1.7
151.11212	3.4
155.08652	1.0
157.10139	3.0
159.11696	8.9
161.09561	1.4
161.13257	4.1
162.15770	0.6
163.11171	6.4
165.12776	2.5
169.10133	2.7
171.11703	3.0
173.09697	0.8
173.13240	5.1
175.11189	1.7
177.12767	1.9
179.14410	1.1
183.11707	2.5
185.13205	0.9
187.11218	2.2
187.14871	1.2
189.12801	1.3
191.14345	1.4
193.12306	0.7
197.13245	2.4
199.14836	0.8
206.81781	0.8
211.14850	1.2
213.16412	1.0
215.14313	1.0
215.17982	0.9
225.23827	0.7
229.19540	3.7
233.15356	1.5
239.17973	7.1
247.20616	2.9
257.19019	13.0
275.20084	100.0
275.27875	4.6
276.20377	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.28771	0.6
52.73956	0.6
53.03967	1.1
55.01864	2.9
55.05519	9.6
57.03440	1.2
57.07063	1.0
65.03919	1.1
67.05508	16.7
69.03419	1.8
69.07076	7.5
69.17128	1.1
69.17509	4.4
71.05016	3.0
79.05500	20.1
81.03435	0.9
81.06585	1.1
81.07062	19.7
83.04984	2.3
83.08634	4.0
85.06560	1.6
90.17999	0.7
91.05486	29.3
93.07049	17.2
95.04958	4.1
95.08608	12.8
95.09174	1.1
97.06506	3.3
97.10173	1.7
98.97585	1.0
99.04458	3.2
99.08096	1.1
103.05469	1.4
105.04557	0.7
105.07034	41.5
107.05016	3.5
107.08596	16.3
109.06532	4.5
109.10169	5.5
111.08073	2.3
115.05482	0.7
117.07024	7.6
117.20377	0.7
119.08586	24.1
121.06541	3.3
121.10135	7.9
123.08068	2.7
123.11722	2.1
125.09652	0.8
128.06194	0.8
129.07048	1.9
131.08571	12.2
133.06490	1.3
133.10141	27.1
134.10503	0.7
135.08055	5.5
135.11729	4.2
137.09648	3.3
139.11211	1.0
141.07014	0.7
142.07793	0.8
143.08553	3.2
145.10146	11.3
147.08067	2.0
147.11703	14.7
149.09622	6.6
149.13278	2.0
151.11183	2.1
153.09177	0.9
155.08595	1.3
155.10657	2.6
157.10149	2.0
159.08078	0.7
159.11719	8.9
161.09639	3.6
161.13287	4.7
163.11189	3.2
163.14911	0.7
165.09146	0.7
165.12683	0.8
169.10173	1.7
171.11722	2.7
173.13278	5.4
175.11208	1.9
175.14836	1.1
177.12799	1.8
179.10699	0.9
183.11684	2.5
187.11224	1.5
187.14778	1.1
189.12801	1.0
191.14371	0.8
193.12276	1.1
197.13300	1.8
199.14873	1.6
201.12817	1.0
215.14348	1.0
215.17897	1.0
217.15948	1.9
229.15965	0.8
229.19556	2.7
233.11714	0.8
233.15387	0.9
233.18990	1.1
239.17863	4.4
247.20596	2.0
257.18991	7.4
269.68784	0.7
275.16522	3.6
275.20074	100.0
276.20432	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	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
51.17992	0.8
53.03942	2.2
53.76645	0.7
55.01874	1.7
55.05516	12.3
57.07076	2.3
65.03931	2.2
67.05511	24.5
68.05042	0.7
69.07066	9.9
70.23558	1.5
71.04984	2.2
71.08659	1.2
79.05501	24.5
79.32585	0.8
81.03415	1.0
81.07063	22.4
83.04971	2.0
83.08617	6.9
84.99578	0.8
85.06549	1.0
88.07616	1.0
91.05486	100.0
92.05824	1.0
93.07044	18.9
95.04944	2.3
95.08611	13.0
97.06537	2.1
97.10162	3.4
98.97569	1.3
103.05481	3.4
105.04574	1.1
105.07036	55.0
106.07391	0.9
106.08677	1.6
107.04937	1.1
107.08584	10.1
109.06548	1.0
109.10172	5.4
110.58105	0.8
115.05470	1.5
116.01697	1.1
116.05325	0.9
117.07027	11.5
119.08588	60.0
121.06488	1.7
121.10140	9.8
123.11700	1.7
129.06998	3.4
131.07590	1.0
131.08575	28.8
133.10136	48.9
133.90886	1.0
134.10445	1.2
135.08028	2.2
135.11688	3.5
137.09613	1.1
139.11154	1.3
143.08565	2.7
145.10123	12.9
147.10611	1.4
147.11694	15.5
149.09616	2.9
155.08537	1.3
157.10107	7.4
158.10002	2.1
159.11694	5.9
161.09592	1.7
161.13277	7.0
163.11159	2.3
163.14850	0.9
163.59219	0.8
169.10117	2.8
171.11719	6.0
172.13327	1.6
173.13260	2.7
175.11145	1.4
177.05472	1.1
178.06317	1.2
183.11722	2.1
189.12828	1.0
191.07130	1.3
193.12218	2.0
194.24301	0.8
197.13414	1.1
201.12643	0.9
204.16525	0.9
211.14931	1.9
215.10648	1.2
229.19574	1.3
233.11710	3.4
233.15355	1.0
239.18007	3.6
257.19016	8.3
275.20065	81.0
275.27762	9.2
276.20462	4.2
276.26935	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03957	4.6
55.01880	4.8
55.05520	14.0
56.96506	0.9
57.03434	3.7
57.07079	2.3
67.05509	25.6
69.03419	1.9
69.07074	10.9
71.04988	2.7
71.08616	1.1
77.03938	1.1
79.05499	32.5
81.03416	4.4
81.07063	64.4
83.04982	4.4
83.08622	5.9
85.06537	2.0
85.70644	1.0
91.05487	37.2
93.07046	25.6
95.04962	8.3
95.08610	16.0
97.06530	5.9
97.10190	1.2
98.23469	2.0
103.05490	1.8
105.04559	1.1
105.07040	46.3
105.52252	1.0
106.07395	0.9
107.04980	10.8
107.08602	15.8
109.06525	21.3
109.10160	6.4
111.08071	2.6
115.05447	1.7
117.07014	12.0
119.08588	29.0
121.06498	7.1
121.10174	10.1
123.08056	5.0
123.11714	3.1
123.13260	0.9
125.09646	1.6
129.06982	3.7
131.08582	15.5
133.06497	1.7
133.10141	29.1
134.14363	0.9
135.08090	5.5
135.11662	4.9
137.09634	4.1
143.08580	3.4
145.06482	1.7
145.10130	14.9
147.08031	2.3
147.11685	18.2
149.09624	6.9
149.13271	3.4
151.11182	4.0
155.08534	1.5
157.10109	2.7
159.11720	8.3
161.09625	2.7
161.13293	4.5
162.20615	1.0
163.11185	6.3
163.14827	1.1
165.09059	1.5
165.12762	2.4
171.11691	3.5
173.13307	5.0
175.11263	3.0
175.14806	1.7
177.12794	3.1
183.11819	1.1
187.11269	1.4
187.14925	2.0
191.14340	3.7
193.12230	1.4
197.13335	2.2
201.12767	2.2
205.12367	1.1
215.18050	1.1
219.13844	1.3
229.19435	2.5
239.17953	2.3
247.20613	3.6
257.19055	9.4
275.20096	100.0
275.27780	8.0
276.20499	4.7
288.62131	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	276.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90710	0.3
53.03932	0.6
55.05517	5.5
56.05006	1.3
56.67271	0.3
57.07082	1.9
58.06599	2.0
58.07394	0.7
60.60248	0.3
67.05510	9.1
68.05007	0.3
68.09721	0.3
69.27055	1.4
69.27459	0.6
70.06602	3.8
71.06889	1.1
71.08607	1.1
72.08940	0.4
79.05494	3.9
80.04973	0.3
81.07063	6.3
82.06583	5.0
82.07321	0.3
83.08574	0.9
84.08136	1.4
85.53268	0.2
88.07637	2.4
89.07969	1.8
90.08046	0.3
91.05496	2.3
93.07046	4.3
95.04915	0.4
95.07322	0.4
95.08609	4.6
96.08147	2.2
96.08648	0.4
96.08952	0.3
98.09696	2.9
98.97550	0.6
99.08060	0.5
102.09131	0.6
103.09480	0.4
105.04509	0.3
105.06984	1.1
106.07300	0.5
106.08622	1.0
107.04892	0.9
107.08504	1.8
108.08070	0.7
108.08978	0.8
109.10164	2.0
110.09619	1.0
110.10352	0.3
111.08002	0.3
111.10475	1.8
112.11204	0.7
116.98552	0.4
119.08521	0.9
121.10080	1.2
122.09605	0.5
123.10401	0.3
124.11236	11.7
126.12671	0.3
129.06897	0.4
131.67361	0.2
133.10060	0.8
135.11685	0.7
136.11156	0.6
138.12706	1.0
145.10103	0.3
152.14265	0.4
161.13254	0.4
164.14330	0.5
206.18951	0.4
207.24469	0.3
232.41685	0.3
258.26950	1.5
276.26797	100.0
277.21313	0.9
277.27118	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2686
Annotation	Alkaloid 275A
Peak:m/z	Relative Intensity
53.03943	0.4
53.66339	0.3
55.05276	0.4
55.05513	4.6
56.05030	1.1
58.06590	0.8
65.03944	0.3
67.05182	0.5
67.05508	6.8
70.06588	1.3
79.05496	3.3
79.85177	0.3
80.05035	0.3
81.05821	0.3
81.07059	5.7
82.06579	5.1
83.08617	1.2
84.08137	0.9
91.05476	0.8
93.07043	2.5
95.07345	0.4
95.08041	0.5
95.08607	4.3
96.08142	1.7
97.10152	0.3
98.09688	3.5
104.05015	0.3
107.08602	1.3
109.10158	1.2
110.09659	0.6
111.10489	1.8
112.11229	1.1
119.08508	0.3
121.10130	1.3
122.09649	0.3
124.11236	13.2
135.11719	0.6
138.12743	0.8
147.11658	0.3
150.12762	0.9
164.14616	0.3
192.17473	0.4
194.18942	0.3
222.22232	0.4
234.22162	0.4
276.26852	100.0
277.27240	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	277.0344
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
51.24207	0.2
56.72195	0.2
61.03352	0.2
63.11562	0.2
66.94901	0.3
71.22604	0.3
73.46730	0.2
77.50098	0.2
86.09708	0.3
89.03938	0.2
90.56747	0.3
91.05473	1.7
91.78886	0.2
101.03928	0.3
103.05466	2.2
105.03401	0.2
119.04931	1.3
129.03366	1.6
131.04921	2.1
133.02919	0.3
139.92224	0.2
141.03363	0.4
145.02878	0.3
147.04417	3.2
157.02859	4.3
159.04430	0.7
169.02824	0.2
172.12749	0.2
173.02332	0.6
175.03918	5.1
185.02325	4.8
187.03908	8.3
189.01851	0.3
203.03389	7.9
204.03688	0.2
213.01836	8.5
214.02277	0.4
215.03384	6.3
216.03870	0.3
230.02170	0.7
230.08281	0.2
231.02896	34.5
232.03136	1.1
241.01329	6.8
255.19627	0.2
259.02386	45.9
260.02783	1.7
277.03436	100.0
278.03775	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	277.0343
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
50.09862	0.1
50.76873	0.2
53.03935	0.2
55.01860	0.4
55.05503	0.3
56.05025	0.5
57.03449	1.2
58.99583	1.3
65.03938	0.2
67.05495	0.4
68.99820	0.2
69.03429	4.4
73.02895	0.4
74.02443	0.3
76.02232	1.6
76.04000	0.2
79.05492	0.7
81.03405	1.0
81.07071	1.8
84.04503	0.3
85.01131	0.3
85.02910	1.0
86.00618	0.4
86.99037	0.6
87.02688	0.6
88.02214	0.2
89.03915	0.2
91.05474	2.3
94.06560	0.2
95.04977	0.4
95.08588	0.2
95.71666	0.2
97.02888	0.7
98.09704	1.2
98.23376	0.4
99.04479	1.0
99.08094	0.3
101.03916	0.2
102.05530	0.7
103.05468	3.4
104.03469	1.6
105.03381	0.4
107.04929	0.2
110.09657	0.3
112.03942	0.5
113.04183	0.7
115.03909	0.6
116.01687	2.4
118.06494	0.3
119.04949	1.7
120.04505	0.8
122.09575	0.2
124.47550	0.2
127.03883	0.2
128.04950	0.4
129.03400	1.6
129.04332	0.3
130.05029	0.4
130.06822	0.4
131.04950	2.1
132.04439	0.7
133.04956	0.3
144.01132	0.8
145.02837	0.3
146.06012	17.7
147.04437	3.1
147.06256	0.3
156.08412	0.9
156.10239	1.2
157.02852	4.4
157.06761	0.3
159.04437	0.7
161.02345	0.3
162.02213	2.0
163.03848	0.2
173.02330	0.5
174.05513	8.7
175.03918	5.1
175.05544	0.2
179.03403	0.2
179.04866	0.5
185.01070	0.1
185.02333	4.8
187.03905	9.8
188.04126	0.3
189.01852	0.2
191.08165	0.3
198.05559	0.2
200.01045	0.2
203.03403	9.0
204.03824	0.2
213.01836	7.8
213.06467	0.3
214.02156	0.4
215.03391	6.4
216.04053	0.2
216.04991	0.2
216.06848	1.2
228.00555	0.2
230.02126	0.6
231.02893	35.1
232.03221	1.2
241.01326	6.8
242.08371	0.3
249.04001	0.2
259.02393	46.7
259.11121	6.3
260.02780	1.9
277.03433	100.0
278.03787	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	277.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84225	0.3
53.05316	0.3
58.77994	0.3
69.03406	0.6
69.43047	1.7
70.26432	0.3
79.05502	0.4
82.00883	0.3
91.05482	1.2
95.04982	0.3
103.04797	0.6
103.05479	8.4
104.03479	2.3
105.03391	0.3
113.03900	0.5
117.34724	0.3
118.06538	0.3
119.04936	2.0
120.04470	1.1
128.04907	0.5
129.03377	1.0
131.04944	5.0
132.04465	1.1
141.03346	0.6
146.06013	21.4
147.04419	3.1
147.06311	0.4
157.02875	2.9
159.04419	1.9
161.02379	0.4
163.03911	0.4
169.02789	0.5
174.05518	10.2
175.03925	4.4
185.02354	2.8
187.03911	31.4
188.04256	1.0
198.09616	0.3
202.02562	0.9
203.03391	7.7
204.03766	0.3
213.01848	4.6
213.06615	0.3
215.03397	25.2
216.03886	1.1
230.02124	2.2
231.02895	24.8
232.03246	0.7
241.01320	4.0
259.02396	34.4
260.02805	1.5
277.03433	100.0
278.03809	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	277.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82957	7.4
70.20493	19.8
81.67749	7.5
113.17971	7.5
165.29605	8.6
190.44678	8.7
231.02942	19.5
259.02460	34.1
277.03436	100.0
277.06915	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
64.50100	0.5
66.94933	0.6
67.05504	0.8
69.07063	3.2
69.11346	0.6
69.11743	3.8
71.04982	1.8
75.02380	0.5
80.37188	0.5
83.04971	1.9
84.04506	3.9
84.08156	2.6
85.02892	2.2
88.11263	0.8
89.06030	0.5
91.05470	2.2
101.03896	0.6
102.09178	0.6
103.05463	2.4
110.09671	0.8
111.04469	0.8
113.06027	2.5
114.05524	1.8
119.04938	1.9
120.08045	0.8
129.03343	1.8
129.05463	0.8
130.05000	5.5
130.08620	0.7
131.04936	1.9
131.07030	5.0
133.02814	0.5
138.09125	0.8
141.03287	0.6
142.04997	2.7
144.10251	0.9
146.06018	0.8
147.04395	3.7
157.01598	0.6
157.02832	4.8
158.03233	0.8
159.04407	1.1
162.11852	0.6
173.02403	0.6
175.03899	5.4
184.09656	4.4
185.02380	4.1
187.03918	8.0
201.12352	7.8
203.03400	8.7
204.03711	0.7
213.01849	8.2
214.02193	0.7
215.03401	6.0
227.13861	1.1
231.02888	34.6
232.03217	1.3
241.01315	6.6
259.02383	48.1
260.02786	1.9
277.03436	100.0
278.03741	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	277.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	0.6
55.05515	8.7
57.07075	15.5
65.03931	1.0
65.05179	0.5
67.05489	1.2
69.07043	1.4
69.10645	1.2
69.11046	2.4
79.05473	1.6
81.07043	1.4
83.08587	0.5
87.62814	0.5
88.91431	0.5
91.05483	1.9
93.07034	1.8
95.08592	1.4
97.06555	0.7
105.07007	0.7
107.08583	1.5
109.10156	1.2
119.08601	1.6
121.02859	5.1
121.03931	0.7
121.06499	0.7
121.10165	1.3
129.07001	1.5
131.08568	1.6
133.06310	0.6
133.10109	0.7
135.11688	0.6
147.11644	0.6
149.02344	100.0
150.02672	2.0
151.07495	0.6
161.05988	2.1
165.01054	0.4
167.03423	1.5
173.13252	0.7
175.07562	7.8
176.07867	0.6
203.07025	7.6
231.02951	0.7
277.03546	1.4
277.14151	30.9
277.17734	2.5
277.21561	1.1
277.27286	1.3
278.14444	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	277.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20356	0.6
53.03939	0.8
55.01865	2.5
55.05522	4.3
57.07071	1.0
59.05008	0.6
61.51047	0.7
61.51393	0.5
64.76091	0.5
65.03915	0.8
66.35744	0.5
67.05509	11.5
68.48369	0.5
68.99800	6.1
69.03444	1.3
69.07070	4.2
70.84636	1.0
71.04990	2.0
71.08614	0.9
79.05499	9.3
81.03423	0.8
81.07067	18.6
83.04993	7.3
83.08623	2.0
87.00848	0.8
91.05492	11.1
93.07055	39.5
94.07404	0.7
95.04967	5.0
95.08620	5.7
97.02973	0.6
97.06544	1.7
99.04462	2.1
99.08067	0.8
105.06390	1.1
105.07046	17.0
105.94316	0.5
106.07355	0.7
107.04956	0.9
107.08597	9.5
109.06530	22.7
109.10181	6.8
111.00811	12.1
111.04412	0.7
111.08124	1.3
117.07048	0.7
119.04963	0.9
119.08588	3.6
121.06533	1.6
121.10123	2.7
123.04449	2.1
123.08057	2.4
123.11718	1.8
125.98222	0.6
127.03930	33.7
129.07059	0.8
131.08630	3.0
133.06488	1.0
133.10141	61.8
134.10457	1.8
135.08061	1.7
135.11699	2.1
137.05984	2.7
139.03917	1.4
143.08591	0.7
145.10135	2.1
147.04306	0.6
147.08044	2.0
147.11726	4.5
149.02368	2.1
149.05960	1.5
149.09641	1.2
149.13289	3.3
151.03938	0.8
151.11195	100.0
152.11533	3.1
153.09079	0.8
157.10124	1.1
157.45012	0.6
159.11665	0.7
161.05966	1.6
161.13322	1.0
163.11201	1.4
163.14963	0.6
165.05432	1.2
165.12788	1.6
167.07097	1.4
171.11699	1.5
175.07570	1.7
175.11243	2.0
179.07054	1.7
185.13232	0.9
187.11192	0.8
187.59720	0.5
189.12766	2.5
193.12306	3.5
207.13782	1.3
209.08092	1.6
217.12280	4.3
231.02922	1.1
231.13583	1.1
233.11755	0.8
235.13272	6.3
241.12215	1.0
259.02237	0.8
259.13397	3.7
259.20584	1.4
277.03458	2.1
277.14362	8.0
277.17816	4.1
277.21552	5.1
297.05481	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	277.1438
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
53.03939	2.0
55.01867	4.0
55.05510	5.8
57.03431	1.1
57.07079	1.5
65.03928	1.2
67.05505	12.3
68.99796	6.4
69.03416	1.3
69.07076	5.1
71.04984	3.0
71.06725	1.1
71.08644	1.0
79.05505	10.4
81.07060	22.3
83.04980	7.6
83.08614	2.4
85.02911	0.9
85.06507	0.8
87.00817	1.2
91.05488	14.4
93.07046	43.5
95.04966	4.9
95.08604	7.0
97.06537	2.6
99.04470	2.2
99.08114	1.1
103.05492	0.9
105.07037	19.0
106.91866	0.7
107.04973	1.3
107.08604	10.8
109.06519	24.4
109.10165	7.6
111.00810	11.9
111.04439	0.8
111.08042	1.5
117.06997	1.2
117.20231	0.7
119.04996	0.8
119.08577	4.5
121.06527	2.0
121.10136	6.0
123.04432	1.4
123.08067	2.4
123.11712	1.7
125.09644	1.0
127.03922	31.9
129.06998	1.9
131.08565	3.5
133.06525	1.5
133.10135	63.8
134.10487	1.8
135.08067	2.3
135.11659	4.6
137.05966	2.5
137.09642	1.0
138.50119	0.9
139.03893	1.3
143.08563	0.7
145.06497	0.8
145.10129	1.3
147.11700	5.4
149.02335	3.3
149.05972	1.2
149.09657	1.3
149.13300	3.5
151.03880	1.2
151.11186	100.0
152.11551	3.9
152.29259	0.8
159.03831	0.8
161.06001	1.9
161.09529	1.2
161.13307	1.8
163.11179	1.7
165.12724	0.9
167.07068	1.1
175.07561	1.0
175.11223	3.4
175.14810	0.8
179.07101	1.1
179.14291	0.9
187.11351	0.9
189.12767	2.1
191.06961	0.9
193.12270	3.6
207.13835	1.6
209.08044	1.7
217.12213	4.4
231.02921	0.9
231.13876	1.7
233.11690	0.9
235.13249	6.0
241.12253	1.0
241.19421	1.1
259.02448	1.2
259.13266	3.9
259.20560	2.0
277.03439	4.5
277.14355	7.7
277.17789	5.5
277.21555	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	277.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70388	0.6
55.01861	0.8
55.05501	1.8
67.05497	2.2
69.03424	4.9
69.04565	1.5
69.04971	3.8
69.07043	1.2
71.04987	0.7
79.05504	3.5
81.03420	0.8
81.07067	3.7
83.04985	0.7
84.22191	0.7
85.02885	0.8
88.07622	2.5
91.05481	2.1
93.07049	5.1
95.08613	2.1
95.98442	0.6
97.02888	0.8
97.06523	0.7
98.23369	1.3
99.04465	0.6
100.60892	0.5
105.07021	2.5
107.08591	3.6
109.06591	0.7
109.10155	1.4
111.08116	0.6
114.44518	0.6
117.05483	1.0
117.07027	0.6
119.08586	2.5
121.10153	3.4
122.10526	0.7
131.08585	1.1
133.04927	0.8
133.10152	1.4
133.48007	0.6
135.11697	2.5
143.08521	1.0
145.10100	0.8
146.83908	0.6
147.08095	0.6
149.02379	0.6
149.05971	0.7
149.13232	0.7
157.10153	0.7
159.11740	0.7
161.13312	0.7
171.11685	0.6
186.18515	2.3
207.13666	0.8
230.21262	1.0
259.02499	0.6
259.16794	0.8
259.20651	0.6
277.17764	100.0
277.21283	4.4
278.18173	4.1
278.23294	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	277.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
61.23087	0.9
67.05519	1.5
67.91379	0.9
69.07076	1.8
70.08727	3.1
79.05477	1.2
81.07066	2.3
89.14870	0.8
91.05470	1.0
93.07059	1.9
95.04961	0.9
95.08624	1.1
96.79021	1.0
98.09249	1.1
105.07100	1.4
107.08572	1.3
109.10161	1.3
117.20254	0.9
121.10084	1.4
135.08047	1.2
135.11732	1.6
151.07587	0.9
154.68936	0.9
161.03311	0.9
165.03682	1.3
189.06898	1.1
193.82324	0.9
206.07307	1.2
207.13583	1.7
234.06787	2.9
249.09117	1.6
262.06055	1.1
277.03555	1.3
277.08737	8.3
277.17758	100.0
278.09335	1.7
278.18109	4.0
278.88388	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	277.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01872	10.2
55.05511	4.1
57.07080	2.6
58.07414	1.1
63.23083	0.5
65.03936	0.5
67.05508	10.1
69.03410	0.6
69.07073	4.4
70.06602	3.6
70.93077	1.0
71.06915	1.8
71.08625	1.1
72.07241	0.6
72.08939	0.6
79.05494	11.7
81.07060	39.2
82.07372	0.5
83.04962	1.3
83.08621	1.8
88.07618	2.4
89.07968	1.8
91.05479	4.7
93.06482	0.7
93.07043	9.8
95.04976	1.2
95.08612	7.9
97.06530	1.4
101.09635	0.6
102.09164	0.7
105.07053	3.0
106.08683	1.1
107.08550	6.2
108.09112	1.4
109.06510	13.7
109.10159	3.1
111.04447	11.4
111.08075	1.3
117.07037	0.7
119.08581	5.6
121.06570	0.7
121.10143	9.8
123.08075	1.5
123.11715	1.9
125.05993	3.8
129.06953	0.6
131.08546	2.0
133.10135	3.9
135.08076	1.5
135.11696	8.3
137.05980	100.0
137.09583	1.2
137.13257	1.7
138.06334	1.1
143.08563	1.2
145.10167	1.3
146.07310	0.6
147.08083	2.0
147.11699	4.8
149.02339	0.6
149.09621	2.8
149.13268	3.1
151.07515	2.7
151.11186	1.1
157.10179	1.7
159.11745	1.0
161.09653	5.2
161.13272	1.7
163.11192	2.9
163.14853	1.1
165.09149	2.0
165.12720	0.6
167.10666	0.9
171.11705	0.9
173.13298	0.6
175.11157	3.4
175.14838	0.9
179.10699	1.2
181.12306	0.7
189.12730	0.8
193.08711	0.5
193.12245	0.9
203.17921	4.2
210.49379	0.5
213.16385	1.6
221.19025	1.6
231.17491	6.6
241.15849	0.8
249.18472	3.0
258.27109	0.5
259.20706	0.7
259.27313	1.4
276.28064	8.1
277.18027	5.4
277.21646	8.6
277.28320	26.6
295.18924	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	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03939	3.6
55.01883	3.6
55.05514	20.8
57.03438	2.0
57.07078	3.1
58.33176	0.6
65.03939	2.1
67.05508	42.7
69.03420	0.8
69.06690	0.6
69.07069	18.2
71.05003	1.9
71.08633	23.0
73.06572	0.7
77.03915	0.8
79.05496	69.3
80.05825	1.3
81.03417	5.3
81.07060	54.0
83.04987	5.8
83.08621	9.3
85.02879	0.7
85.06538	3.0
91.05482	31.9
93.07046	100.0
94.07378	1.6
95.04980	11.0
95.08609	36.5
96.08961	0.7
97.06521	5.7
97.10184	3.1
99.08098	15.6
100.61920	0.6
103.05504	1.1
105.04516	2.4
105.07030	19.2
107.04991	3.4
107.08598	55.8
108.08934	0.8
109.06519	4.3
109.10153	10.7
111.08102	2.7
117.07027	3.6
119.06069	1.2
119.08580	13.1
121.06487	1.2
121.10150	42.9
122.10499	1.0
123.08099	1.6
123.11694	2.8
125.09665	0.8
129.07025	2.5
129.48108	0.8
131.08575	4.4
133.10133	10.2
135.08066	0.9
135.11700	56.1
136.12048	0.9
137.09596	3.1
139.11211	2.6
141.09108	2.4
143.08568	2.3
145.10136	4.1
147.08101	1.3
147.11673	5.9
149.13266	14.7
151.11172	9.8
153.12749	0.9
157.10141	2.8
159.11691	2.8
161.09622	1.2
161.13274	8.3
163.11215	4.1
163.14792	3.6
165.12759	2.5
167.10677	2.9
169.12228	0.6
171.11697	2.8
173.13274	1.9
175.11171	1.6
175.14905	1.5
177.12776	3.0
177.16440	0.7
179.14313	25.4
180.14691	0.8
181.12238	2.0
185.13269	2.3
189.12732	2.3
191.14233	0.9
195.13838	1.4
199.14879	1.1
203.14375	0.7
207.13823	1.7
213.16368	1.3
217.19514	1.0
217.45630	0.6
221.15352	3.5
231.21094	0.9
235.16908	3.3
241.19530	1.8
259.13568	0.8
259.20639	5.2
277.21637	78.1
278.21909	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	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.85986	1.1
53.03943	5.9
55.01859	1.6
55.05514	19.5
57.07073	4.2
58.07415	1.5
65.03945	1.3
67.05503	34.1
67.23579	1.4
67.52377	1.1
67.59001	1.1
69.07066	15.4
70.06585	3.2
71.04992	2.5
71.06928	2.5
71.08641	2.3
77.03908	1.1
79.05495	76.4
80.05817	1.8
81.06588	2.1
81.07059	38.3
83.05001	1.9
83.08644	7.2
85.06512	2.0
88.07645	3.3
88.08173	1.0
90.38266	1.3
91.05482	26.8
93.07043	100.0
95.04992	6.7
95.08604	23.3
97.10163	4.4
99.08101	2.0
103.09546	1.2
105.04514	2.2
105.07034	17.2
107.08585	47.4
107.66577	1.1
108.08973	1.3
109.06508	1.9
109.10155	11.0
117.07047	3.2
119.08578	8.9
121.10143	47.0
122.10483	1.5
123.08100	2.2
123.11733	3.4
129.06993	1.3
133.10129	10.8
135.11696	46.1
136.12027	1.2
143.08530	2.0
145.10109	2.0
147.11685	5.9
148.60748	1.2
149.09662	1.9
149.13264	18.0
157.10161	2.0
159.11694	4.1
161.13281	5.2
163.11217	3.0
163.14793	6.1
171.11739	1.4
173.13318	1.9
175.14835	1.5
181.12248	1.3
185.13206	1.4
195.13823	2.1
199.14783	1.5
207.13850	2.3
213.16423	1.9
221.15416	2.9
235.16991	4.2
241.19635	2.4
242.28546	1.1
259.20563	4.8
259.27237	2.7
277.21643	67.8
277.28271	43.1
278.22003	2.3
297.65686	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	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03941	4.1
54.31717	1.5
55.05511	13.6
57.07072	5.3
58.07407	2.6
59.38245	1.4
65.03929	2.5
67.05505	57.7
69.07063	10.3
69.60137	3.2
69.60540	5.5
70.06586	3.5
71.04999	3.9
71.06918	2.6
71.08627	4.4
79.05492	62.5
81.03409	2.5
81.07061	43.0
83.08626	8.4
85.06532	3.8
88.07625	2.6
89.07972	2.5
91.05488	22.1
93.07049	72.5
94.07394	2.3
95.04981	6.3
95.08608	24.6
97.06544	3.9
97.10159	3.8
99.08063	2.7
105.07024	12.5
107.08591	35.2
107.09287	2.2
108.09117	1.5
109.06511	3.2
109.10149	10.3
111.08083	3.5
117.07043	4.7
119.08568	12.3
121.10146	81.2
123.08088	2.8
123.11723	3.1
125.09654	1.9
129.06975	1.9
131.08575	5.2
133.10144	8.7
135.08073	2.0
135.11691	51.9
136.12029	1.5
137.09610	3.2
140.07036	1.7
143.08598	2.0
145.10115	4.5
147.11678	5.8
149.02304	1.7
149.09686	1.5
149.13264	10.1
151.11195	2.3
157.10144	1.9
159.11768	2.3
161.13261	3.9
163.11197	2.8
163.14812	3.4
165.12743	1.8
171.11725	2.1
175.14754	1.5
177.12704	2.5
181.12196	3.5
185.13324	2.1
189.12593	2.0
195.13850	3.5
221.15451	1.5
235.16924	3.3
241.19635	2.3
259.02448	1.9
259.20599	6.5
259.27438	2.2
270.41135	1.7
277.03491	2.6
277.21640	100.0
277.28305	55.4
278.21936	4.4
298.51663	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	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.93725	1.4
53.03957	7.1
53.05651	1.1
55.01858	2.2
55.05279	1.9
55.05516	23.4
57.07070	3.1
58.06601	8.3
59.37582	1.1
59.49477	1.4
65.03930	1.9
67.05506	44.7
69.07072	18.9
69.29702	5.5
71.04993	2.5
71.08623	2.2
77.03925	2.2
79.05495	81.0
80.64240	1.2
81.03407	1.4
81.07063	47.5
83.04966	1.8
83.08621	9.7
85.06538	2.5
91.05482	30.6
93.07049	100.0
94.07338	2.0
95.04967	5.1
95.08612	33.4
97.06533	3.9
97.10163	5.4
98.23326	2.3
105.04487	2.8
105.07024	17.4
107.08599	49.0
109.06525	2.5
109.10165	17.7
117.07006	3.3
119.08593	11.1
121.10152	53.5
121.11031	2.8
123.08035	1.8
123.11709	4.2
129.07010	4.2
131.08574	5.4
133.10147	11.9
135.08086	2.4
135.11702	51.6
136.12006	1.9
137.09599	2.2
143.08563	2.9
145.10127	3.5
147.11703	8.4
149.09601	2.1
149.13260	28.3
151.11169	2.3
157.10110	2.2
159.11699	3.8
161.13272	6.1
163.11215	3.4
163.14813	6.4
167.10716	1.4
171.11716	3.0
173.13315	2.7
175.14816	1.8
177.12627	1.4
177.16434	1.7
179.14400	1.4
185.13286	2.2
189.12721	1.3
193.12271	1.3
195.13864	3.0
199.14778	1.9
207.13835	2.8
209.15469	1.9
213.16385	1.5
221.15436	3.2
235.16965	3.6
241.19649	2.5
241.50783	1.3
259.20596	4.5
273.19531	1.3
277.21646	73.8
278.21906	4.1
278.28442	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03940	4.9
55.01878	6.0
55.05517	28.4
55.95837	2.2
56.78002	2.0
57.07061	7.4
59.93423	2.2
65.03930	3.1
67.05180	3.6
67.05512	44.3
69.03423	2.8
69.07072	27.1
70.92309	2.8
71.06944	3.1
79.05499	58.4
80.07830	2.1
81.03405	3.1
81.07060	54.5
83.04992	7.9
83.08607	16.3
85.06510	2.9
91.05489	37.3
93.07047	100.0
95.04958	8.5
95.08604	38.9
97.06538	7.8
97.10154	3.5
102.93951	2.4
105.07027	25.3
107.07891	2.8
107.08598	47.3
108.09092	2.1
109.06521	7.8
109.10152	21.5
111.08041	3.1
117.07047	4.2
119.08588	18.7
121.10148	43.3
121.10994	2.6
123.08076	4.9
123.11710	4.3
131.08604	4.4
131.41034	2.2
133.10135	17.9
135.08043	5.2
135.11697	46.4
137.05890	2.8
137.09671	4.4
143.08611	3.6
145.10168	7.2
147.11684	14.8
149.02391	4.2
149.09563	2.8
149.13268	19.2
151.11217	3.1
157.10114	2.7
159.11728	4.5
161.13304	7.0
163.11240	4.2
163.14833	6.3
164.92058	6.1
165.12859	2.8
171.11703	5.0
173.13205	3.1
175.11182	6.8
175.14807	6.4
185.13216	5.8
189.12709	4.0
189.16345	2.5
193.08640	5.5
199.14833	2.7
203.14305	12.6
207.13904	3.1
209.15421	2.4
217.12306	4.1
217.19618	4.7
221.15465	3.7
222.91171	3.9
231.21101	6.7
235.13344	5.1
241.19565	4.2
259.20581	17.9
277.21655	96.1
277.28268	29.1
278.21964	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	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02380	0.7
53.03949	4.1
55.01633	0.9
55.01875	11.6
55.05515	21.9
57.03440	2.8
57.07071	3.7
59.05003	0.7
61.07926	0.6
65.03931	1.6
67.05506	48.8
68.05842	0.8
69.03435	0.7
69.07071	15.7
70.59326	1.2
71.05002	4.4
71.08635	18.1
77.03903	0.8
78.20382	0.5
79.05495	58.2
80.05807	0.8
81.03424	5.4
81.07059	49.2
82.07384	0.8
83.04980	6.4
83.08612	12.6
85.06531	3.7
85.10192	1.3
86.57104	0.7
91.04906	1.2
91.05482	31.4
93.07046	75.5
94.07359	0.7
95.04974	11.0
95.08610	30.9
97.06542	8.7
97.10177	4.7
99.08099	14.0
102.98134	0.6
103.05473	0.9
105.04528	1.2
105.07033	23.3
106.15715	0.6
107.04953	5.1
107.08600	37.0
108.05708	0.8
108.08936	1.0
108.48178	0.6
109.06524	6.7
109.09445	1.2
109.10158	15.4
111.08084	10.0
111.34074	0.8
111.88264	0.7
113.09673	1.2
115.05450	0.6
117.07026	5.5
119.08581	16.1
121.06515	3.4
121.10145	21.5
123.08066	5.4
123.11705	5.1
125.09624	2.7
128.06287	0.7
129.07011	3.7
131.08571	5.8
133.06490	0.9
133.09091	0.7
133.10130	15.9
135.08061	2.5
135.11694	25.1
136.12106	0.9
137.09602	3.2
137.13269	2.3
139.07495	0.8
139.11186	1.4
141.12741	2.3
143.08560	4.4
145.10124	9.2
146.08620	0.6
147.08043	2.1
147.11691	13.7
149.02295	0.7
149.09618	3.6
149.13261	16.4
151.11174	10.0
153.09129	0.8
153.12743	2.0
157.10136	2.7
159.11720	3.1
161.09602	2.6
161.11911	1.1
161.13258	11.7
163.11188	14.8
163.14815	7.4
164.11540	0.6
165.12752	6.2
167.10678	1.1
169.12239	1.5
171.11681	4.6
173.13268	3.0
175.11211	2.0
175.14851	4.4
177.12738	2.6
179.10638	0.7
179.14273	4.4
181.12257	1.6
185.13199	4.5
187.14752	0.8
189.12762	2.3
193.12231	1.1
193.15869	1.0
195.13806	1.7
199.14867	2.0
203.14268	1.3
207.13805	2.3
209.15579	0.6
216.73990	0.6
217.16031	0.8
217.19518	2.5
218.72905	0.6
221.15448	4.5
231.17363	0.9
231.21060	3.3
235.17014	3.2
241.19504	6.9
246.78104	0.6
249.22160	2.5
259.20593	11.9
277.21634	100.0
278.22095	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	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03946	2.3
55.01862	1.2
55.05515	9.4
57.03430	1.8
57.07072	1.8
65.03941	2.2
67.05510	61.0
69.03428	1.5
69.07065	9.2
71.04995	2.8
71.28947	1.0
79.05499	51.9
81.07059	43.7
83.04969	2.7
83.08618	5.6
85.06537	2.6
86.09715	1.1
86.54228	0.9
91.05479	14.1
93.07050	77.2
94.07378	1.0
95.04978	3.1
95.08616	26.2
97.06532	3.8
97.10180	2.5
98.97631	1.0
105.07044	10.0
106.07419	1.4
107.04975	1.2
107.07854	1.5
107.08601	30.5
109.06501	2.6
109.10151	7.1
111.08067	2.1
114.15746	1.0
117.07066	2.1
119.08578	7.0
121.06499	2.0
121.10149	93.0
122.06880	1.2
122.10464	2.2
123.08071	2.3
123.11730	2.3
131.08562	2.9
133.10123	6.9
135.08067	4.0
135.11700	71.5
136.12038	1.5
137.09634	3.0
138.31509	1.1
143.08559	1.4
145.10089	3.4
147.11714	3.1
149.09653	1.2
149.13268	11.0
151.11250	1.1
159.11705	5.5
161.09607	1.2
161.13235	2.2
163.11162	2.8
163.14886	2.4
165.03690	1.8
165.12746	2.5
171.11714	1.4
173.13290	3.1
175.14828	2.2
177.12715	4.5
181.12267	3.3
185.13251	2.3
195.13835	3.9
235.16972	1.6
241.19434	2.4
248.48824	1.0
259.20523	6.2
277.03540	1.4
277.21634	100.0
278.21841	4.0
288.52863	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	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03937	1.5
55.01863	1.7
55.05517	8.9
56.96551	1.1
57.07071	2.3
60.99620	1.0
65.03945	1.7
67.05508	53.6
68.05843	1.0
69.07071	9.4
71.04977	1.9
71.08615	1.3
72.28423	1.2
79.05498	52.5
79.69656	1.2
81.03394	1.3
81.07061	35.3
83.04976	3.0
83.08630	5.2
91.05486	13.0
93.07047	64.7
94.07388	1.3
95.04967	4.6
95.08607	19.0
97.06530	2.5
97.10155	1.3
99.08091	2.1
105.04518	1.7
105.07040	8.8
107.08598	26.3
109.06512	1.3
109.10150	6.9
111.08124	2.0
117.06998	1.4
119.08578	5.3
121.06535	1.6
121.10146	95.9
122.10490	2.2
123.11729	1.4
131.08611	5.2
133.10144	7.0
135.11699	50.9
145.10138	3.8
147.11659	3.8
149.09657	1.8
149.13272	9.3
151.11191	1.4
153.09108	1.7
159.11691	3.5
161.13225	2.6
163.11191	3.3
163.14806	1.5
165.12762	1.3
177.12749	3.3
181.12250	1.7
195.13849	3.0
209.15654	1.0
235.16940	1.4
241.19464	1.8
259.02380	1.5
259.20520	5.1
277.03421	2.8
277.21640	100.0
278.21985	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	278.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01874	4.8
57.07072	0.3
57.93161	0.3
60.59966	0.3
66.04729	0.3
68.74261	0.3
69.05045	0.3
75.91302	0.3
77.03918	0.4
79.05490	3.1
81.03426	0.4
81.07061	0.7
82.02953	0.4
88.07642	0.5
90.04702	0.3
91.05489	2.9
92.34674	0.3
93.07050	0.6
94.04187	3.9
95.04974	1.3
100.03967	0.4
103.05469	4.0
105.03387	4.5
105.04535	0.9
105.07027	7.0
107.04958	0.9
108.05746	0.4
109.06522	24.6
110.06845	0.4
115.05450	0.5
118.04169	4.7
118.06552	3.5
119.04965	0.3
121.06511	39.3
122.06871	0.8
123.08035	0.8
129.07025	0.4
131.06018	0.3
131.08495	0.4
133.06493	72.6
134.06844	1.0
135.04497	0.3
135.06958	0.6
135.08064	2.0
137.05981	60.9
138.06332	1.5
143.07306	1.3
144.05719	1.4
145.06497	0.7
147.08026	0.7
148.07547	1.3
149.02335	1.2
149.08307	0.8
150.09145	17.7
151.07533	1.3
151.09459	0.5
155.07263	0.7
158.05936	0.5
159.08063	3.9
160.07622	0.4
161.05986	8.1
161.09659	0.5
162.06348	0.3
162.09137	1.3
167.60649	0.3
170.06010	0.4
171.06744	1.2
171.08075	0.5
172.07559	1.8
173.05991	0.7
175.07593	0.4
176.07108	2.9
176.10681	1.0
179.07037	23.1
180.07440	0.5
186.09149	8.8
187.07541	5.1
190.08717	0.3
199.06291	1.7
200.07027	0.4
204.10213	4.5
214.08632	26.6
215.07027	1.5
215.08870	0.5
215.22020	0.6
232.09685	100.0
233.10004	3.2
242.08101	1.6
260.09180	5.9
277.25668	0.5
278.07782	0.4
278.10434	3.7
278.23291	0.4
278.26050	0.4
280.40234	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	278.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01633	0.5
55.01875	5.7
56.05030	0.7
57.07079	0.5
58.06576	0.7
65.03954	1.3
67.05499	0.7
70.90096	0.6
72.04519	4.4
74.06076	0.6
79.05484	1.1
81.07061	2.1
81.89282	0.4
82.02946	1.4
84.04453	0.5
86.06070	0.5
88.07639	3.6
91.05485	21.6
92.05783	0.4
93.07021	0.4
94.04203	0.4
100.03985	21.1
103.05487	0.9
104.07111	0.6
107.04960	10.3
109.06525	1.1
110.67052	0.4
117.07053	0.4
119.04947	58.1
120.05295	1.0
121.02843	1.0
121.06494	0.8
122.03620	1.0
131.04898	0.5
132.10214	1.1
133.06485	0.4
134.06009	1.5
135.04474	0.4
135.06761	0.5
136.07582	16.7
137.05981	83.5
138.06335	1.6
144.08110	0.4
145.06490	3.0
147.04413	12.0
147.08046	0.9
148.07555	1.0
149.02324	1.2
151.07538	2.3
154.06487	0.7
158.05997	0.9
162.05479	2.5
162.09195	0.8
166.10822	0.6
172.07584	11.9
173.06007	3.4
176.07159	0.4
179.05431	0.7
179.05855	0.4
179.07031	18.3
186.18571	4.7
190.08665	3.9
200.07076	30.7
201.05463	1.2
201.07295	0.6
218.08131	100.0
219.08424	2.8
228.06589	1.4
230.21080	1.6
246.07635	7.9
259.82159	0.4
278.10309	3.6
278.18576	0.6
278.23303	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	278.2843
Annotation	PERHEXILINE
Peak:m/z	Relative Intensity
52.38037	0.2
53.03943	0.4
55.05516	9.0
55.38670	0.2
56.05035	0.4
56.05847	0.2
57.07086	0.3
58.06605	11.1
61.19934	0.2
65.03945	0.6
67.05509	19.5
69.07072	5.9
72.08147	0.8
79.05505	2.9
81.07063	18.9
83.08620	2.9
84.08139	0.5
84.19466	0.2
91.05482	0.4
93.07045	2.2
95.08613	16.9
96.08951	0.2
97.10167	1.0
98.09708	0.9
105.07092	0.2
107.08595	0.9
109.10162	5.3
110.70703	0.2
121.10151	0.6
123.11710	1.3
126.12840	0.3
135.11668	0.4
149.02380	0.6
208.20622	0.8
278.28436	100.0
279.09256	0.3
279.28775	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	278.2843
Annotation	PERHEXILINE
Peak:m/z	Relative Intensity
53.03946	0.7
55.05516	10.5
56.05035	0.6
57.07083	0.7
58.06604	12.3
65.03924	0.9
66.01073	0.3
67.05510	21.9
68.98945	2.7
69.07072	6.7
69.07447	0.2
70.06590	0.4
72.08147	0.8
73.47691	0.3
79.05500	4.2
81.07061	19.0
82.07386	0.3
83.08633	3.5
84.08141	0.5
86.45171	0.3
91.05483	0.5
93.07043	2.9
95.08615	16.7
97.10162	1.1
98.09697	0.7
107.08601	1.0
109.10168	5.1
121.06540	0.5
121.10163	0.9
123.11721	1.2
126.12793	0.4
127.01010	0.3
128.05742	0.3
135.11661	0.4
149.02348	3.3
208.20723	0.5
219.05844	0.3
278.28436	100.0
279.09479	0.8
279.28784	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	279.05
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
55.01892	2.4
55.05511	8.1
57.04270	2.2
57.07081	6.7
58.99591	5.1
59.05030	2.3
69.03442	9.6
69.54192	9.3
70.06596	4.7
76.02239	4.1
79.01848	3.8
81.03419	9.9
81.07057	2.1
83.08626	4.4
86.00655	6.0
86.99062	3.7
91.05511	2.0
93.34389	2.2
97.02909	6.9
103.05471	6.1
109.02869	14.7
109.14606	2.1
112.03529	1.8
112.76340	2.4
115.05436	4.6
116.01682	10.8
117.03408	6.9
119.04959	2.4
121.02879	3.3
121.06509	2.0
125.02372	9.4
127.03925	5.9
130.06534	51.7
131.04924	21.4
132.01193	8.0
132.04443	12.3
135.04373	2.2
137.02386	2.8
139.03984	2.2
143.03404	7.7
144.01207	4.9
145.02852	16.1
147.04453	5.4
148.07597	5.1
149.02344	56.9
149.05972	3.5
153.01836	100.0
153.02907	6.4
158.06038	12.2
159.04411	30.4
162.02213	16.7
162.03508	3.2
163.03932	11.3
165.01909	5.7
171.04512	4.8
175.03906	2.2
177.05466	47.8
179.03439	3.2
181.01332	28.8
183.02875	5.0
187.03911	12.4
189.05594	2.9
190.03140	4.5
191.03369	5.8
197.00854	3.3
205.04994	27.9
207.03043	9.8
209.00887	3.0
211.02380	4.9
215.03419	16.7
216.51329	2.1
217.04977	14.8
231.02843	3.1
233.04465	36.2
235.02383	10.4
243.02940	9.0
249.03993	3.7
261.03967	26.3
261.06921	10.4
261.11118	2.9
262.11166	3.6
279.05115	46.5
279.08115	8.3
279.13254	3.8
279.16791	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	279.0934
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.56562	0.2
53.03949	1.2
57.07074	0.2
58.54195	0.2
60.36773	0.2
61.58790	0.3
70.46841	0.4
76.84582	0.2
77.03957	0.6
95.00500	1.2
95.04978	1.0
96.43377	0.2
98.23396	0.2
105.03344	0.2
105.04517	0.6
115.90780	0.2
123.00013	0.5
128.06242	0.9
129.07024	0.9
130.02757	0.2
133.02036	0.3
141.00989	1.3
149.02364	2.2
154.07764	0.8
171.03601	2.1
173.05165	9.5
183.03568	1.3
199.03009	0.2
199.25621	0.2
201.04642	28.0
202.05011	1.0
219.05698	58.5
220.06007	2.1
235.42914	0.2
242.07405	0.4
243.19734	0.3
278.08093	0.2
279.09326	100.0
280.09686	5.4
287.24826	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	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64569	0.3
57.05822	0.5
57.07070	0.5
58.06598	0.5
67.37460	0.2
68.05028	0.4
68.95411	0.2
69.07070	13.5
69.57614	0.6
69.58011	0.6
84.42165	0.2
86.06081	1.7
86.09709	100.0
87.10037	1.4
87.93142	0.3
103.05489	0.5
110.97694	0.2
120.08111	12.6
124.88870	0.3
129.86166	0.2
131.05020	0.3
147.04362	0.3
149.02357	4.1
149.06052	0.4
153.01874	0.6
154.51064	0.2
166.08647	5.7
167.47173	0.3
180.98183	0.2
192.46112	0.3
220.06056	1.0
233.16498	0.3
262.68646	0.3
279.04916	0.4
279.14032	0.4
279.17093	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	279.1704
Annotation	Leu Phe
Peak:m/z	Relative Intensity
53.90658	0.4
57.07075	1.6
69.03455	0.4
69.07064	1.1
69.45329	2.3
82.74571	0.4
86.09713	100.0
87.10042	1.9
91.05466	0.6
93.07089	0.8
103.05476	2.4
109.44861	0.4
117.34691	0.4
120.08115	39.8
121.02856	0.6
131.05022	0.5
132.10223	0.6
138.89543	0.5
149.02351	8.2
153.01865	1.0
166.08650	9.3
188.47804	0.5
233.16577	0.7
279.17087	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	279.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	6.0
60.20128	0.6
65.03933	0.8
67.05484	1.2
71.29939	0.7
80.12299	0.7
81.03397	0.7
81.07047	2.3
83.04980	0.8
91.05472	1.9
93.07023	1.5
95.08611	1.6
97.06539	0.7
98.97595	0.8
105.07001	0.9
107.08595	1.0
109.10107	1.6
116.98664	1.7
118.50436	0.7
121.02872	2.8
121.10166	0.9
133.06503	1.2
135.11644	0.8
149.02356	45.6
150.02689	1.6
161.06061	1.0
164.45500	0.7
167.03354	1.2
181.05058	0.9
191.08598	0.8
219.05736	0.9
219.08070	1.2
221.06082	0.7
221.08113	2.0
236.08656	0.8
247.07729	1.0
251.10738	1.1
264.07843	1.0
279.06378	1.9
279.08960	5.1
279.19312	100.0
280.06815	0.8
280.19711	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	279.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
56.26937	0.5
57.07084	2.9
65.03959	0.8
67.05505	0.8
69.11189	0.4
70.50096	1.0
81.07054	1.2
83.08638	0.5
87.81686	0.5
95.08621	1.0
105.07014	0.8
108.54937	0.6
109.10210	0.6
111.04439	0.6
115.04444	0.5
121.02888	1.2
131.04889	0.6
133.06532	0.5
134.09505	0.5
135.11685	0.6
142.25012	0.5
142.27092	0.5
143.52469	0.5
149.02353	22.4
151.03920	15.4
151.05032	1.3
153.01845	1.1
161.06026	1.0
167.03450	0.7
177.06935	0.6
181.04912	0.9
190.07809	1.5
191.08533	2.2
195.08052	0.7
205.06439	1.5
218.07274	1.0
219.05959	0.8
219.08008	3.5
220.08870	0.7
221.05917	1.0
223.07535	1.1
234.11026	0.5
236.04738	0.9
236.08310	1.6
247.07533	1.2
248.08205	0.6
249.94519	0.6
251.07030	1.8
251.10741	5.8
264.07782	1.5
279.06433	4.4
279.10031	7.5
279.19312	100.0
280.07108	0.6
280.19623	4.6
291.81348	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	280.0816
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
57.24369	0.6
65.03937	1.1
91.05486	11.6
98.22626	2.0
119.04948	28.7
124.04006	0.9
136.06129	0.9
142.17987	0.7
147.04416	100.0
148.04779	2.2
149.02382	0.8
182.64049	0.6
228.01192	0.6
234.53664	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	280.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68684	0.4
62.34909	0.4
65.03933	0.7
67.05480	0.4
69.36784	1.7
81.07050	0.9
89.88998	0.3
91.05483	11.4
106.10969	0.4
107.09807	0.4
111.40189	0.4
114.33007	0.4
119.04947	28.1
120.05295	0.5
142.09480	0.4
147.04414	100.0
148.04788	2.1
149.02344	1.1
150.02669	1.1
173.09982	1.0
183.30383	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	280.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03954	1.0
67.71159	0.1
73.18459	0.2
77.03934	0.4
79.05495	8.3
80.05838	0.3
95.04979	1.3
103.05476	5.2
105.07036	100.0
106.07350	1.6
118.06545	1.4
132.08072	0.3
133.08865	0.3
146.09663	0.4
151.38091	0.2
176.14362	5.7
177.14700	0.2
236.14331	0.4
237.15202	0.2
240.10947	0.2
280.20605	85.1
281.20935	4.6
290.81976	0.2
294.59793	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	280.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05513	16.5
56.05042	6.9
57.07081	2.3
58.06605	3.4
65.03954	0.6
65.87677	0.4
67.05510	15.9
68.05029	0.5
69.07074	11.9
71.08627	0.6
72.04516	6.0
79.05508	2.8
81.07058	27.1
82.07401	0.6
83.08627	6.4
84.08141	0.6
86.06066	4.4
93.07018	1.0
95.08611	14.6
97.10179	4.3
98.06073	1.0
98.09698	68.7
99.10009	0.8
109.10157	6.9
111.11726	0.8
114.09167	0.4
123.11718	1.8
126.09158	100.0
127.09486	1.7
128.10730	0.7
136.95842	0.4
137.13278	0.5
146.52351	0.5
149.02333	0.9
150.02667	0.9
154.12321	1.1
161.88724	0.5
165.16402	0.6
182.19023	1.2
210.18521	2.8
228.72539	0.5
230.32329	0.5
252.26855	7.2
280.09598	1.2
280.26352	91.3
281.26675	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	280.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.8
56.05043	7.4
56.05307	2.8
57.07067	4.0
57.09811	2.6
58.06614	3.4
67.05508	18.6
69.07066	12.8
79.05500	4.0
81.07067	35.5
83.08632	7.5
86.06077	5.7
89.52973	3.3
93.07034	3.7
95.08611	19.4
97.10149	3.8
98.09696	75.3
109.10159	10.3
116.45060	2.9
126.09159	100.0
149.02376	4.3
150.02617	3.9
153.52654	2.6
201.65303	4.1
210.18477	3.6
252.26883	10.0
280.09598	11.4
280.26346	88.6
288.50119	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	280.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.74736	0.3
55.05513	18.6
56.99117	0.3
57.03436	1.1
57.07074	1.6
58.06315	0.6
58.06601	11.4
67.05509	6.7
69.07070	16.4
71.08619	0.4
72.08139	0.9
79.05497	3.9
80.64256	0.3
81.07057	6.5
81.35320	0.3
83.04967	1.2
83.08616	9.7
91.05461	2.5
93.07037	3.1
95.04984	0.9
95.08606	6.4
97.10175	4.2
98.09751	0.4
98.22549	0.6
105.07025	1.4
107.08585	0.8
109.10153	2.5
111.11726	0.5
112.86967	0.3
117.07035	0.3
119.08555	1.0
123.08091	0.3
129.07016	1.0
133.10115	0.5
137.13309	0.3
143.08589	0.4
145.10112	0.7
147.11685	1.3
147.35532	0.4
149.02321	0.7
150.02649	0.7
171.11691	1.2
207.13739	0.6
210.22182	1.4
212.35683	0.4
242.46939	0.4
263.23624	0.3
280.29984	100.0
281.17511	0.9
281.30316	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	281.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02380	0.8
55.01866	0.5
55.05510	0.9
56.97191	0.2
65.03930	0.4
65.87669	0.2
67.05505	1.4
69.03425	0.8
70.17222	0.5
79.01850	7.2
79.05484	0.7
81.03428	0.2
81.07050	0.6
83.04980	3.0
85.02897	0.5
87.00821	0.3
91.05479	0.8
93.07035	0.7
95.08597	0.4
97.02904	1.5
105.03368	0.2
105.07043	0.5
107.01318	1.8
107.04964	0.2
107.08598	0.3
111.04443	4.4
112.04736	0.2
115.05416	0.3
117.07019	0.2
119.08546	0.2
123.00735	0.3
125.02346	3.6
129.05473	0.6
133.02847	0.4
139.03862	0.5
143.03398	8.2
144.03705	0.2
145.06500	0.5
147.04401	0.4
147.11679	0.2
147.79219	0.2
151.03917	0.5
153.01828	100.0
153.02896	6.3
154.02158	2.0
161.05963	0.5
163.03896	0.8
167.03401	0.2
171.11682	0.3
173.06000	0.5
175.03938	0.2
179.03380	1.3
181.01300	0.6
189.05522	0.3
191.03450	0.7
195.02881	0.7
201.05414	1.1
207.02895	2.4
209.04413	0.4
217.05003	0.5
219.02870	0.2
219.06578	0.8
221.04475	0.6
223.02374	1.9
235.05965	0.3
237.04013	0.8
263.05579	0.2
277.96753	0.2
281.03793	0.2
281.06598	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	281.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.3
51.02371	0.6
53.00321	0.2
55.01864	0.3
55.05503	0.5
65.03944	0.4
67.05513	0.6
68.99786	0.1
69.03436	0.5
69.21638	0.8
72.34299	0.1
79.01856	7.0
83.04983	3.0
85.02902	0.4
87.00829	0.2
91.05486	0.2
93.03423	0.2
97.02908	1.5
105.03403	0.1
105.07002	0.2
107.01320	1.6
111.04452	5.1
112.04754	0.1
115.05488	0.2
119.04967	0.2
120.01862	0.1
123.00801	0.3
123.04424	0.2
125.02353	3.8
129.05457	0.6
130.55417	0.1
133.02852	0.5
133.06482	0.2
139.03926	0.5
143.03404	8.5
144.03720	0.2
145.06444	0.5
147.04414	0.3
151.03911	0.3
153.01837	100.0
153.02910	7.0
154.02173	2.4
154.03401	0.2
161.05988	0.4
163.03867	0.6
165.05447	0.2
167.03378	0.3
171.04335	0.1
173.05984	0.6
175.04012	0.2
177.01810	0.2
179.03406	1.4
179.06978	0.2
181.01334	0.8
183.60263	0.1
189.05479	0.4
191.03421	0.8
195.02855	0.7
201.05490	1.0
207.02905	1.7
209.04465	0.3
217.04971	0.4
219.03046	0.3
219.06573	0.7
221.04460	0.4
223.02391	2.3
235.05952	0.2
237.04030	0.5
245.04604	0.2
251.09244	0.2
263.05444	0.1
281.06549	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03954	9.6
55.01883	7.6
55.05516	33.8
55.34751	1.6
57.03438	30.4
57.07067	2.4
65.03933	5.3
67.05508	85.6
69.03393	2.0
69.07070	19.6
71.04987	4.4
73.06576	3.2
79.05497	100.0
81.03417	12.7
81.07060	70.9
83.04981	32.8
83.08640	10.8
85.06551	3.0
85.94386	1.6
91.05484	73.6
93.07050	72.3
93.07533	0.9
94.74315	1.6
95.04974	26.8
95.08611	41.6
96.08964	1.7
97.06535	6.1
97.10165	6.3
103.05469	2.0
105.04542	3.1
105.07037	52.7
107.04967	8.8
107.08603	25.7
109.06528	9.2
109.10165	9.9
111.08119	1.9
113.54945	1.5
115.05428	2.7
117.07028	11.6
118.01226	2.2
119.08585	31.5
121.06503	4.8
121.10149	6.5
123.08085	9.2
128.06195	2.0
129.07014	20.4
131.08551	3.5
133.06512	3.1
133.10158	14.3
135.08063	1.7
135.11710	3.3
141.09088	1.7
143.08557	11.4
145.10123	12.6
147.08054	4.0
147.11694	40.7
148.50452	1.5
161.09619	5.2
161.13268	16.2
163.11127	2.9
171.11713	27.4
189.12769	12.9
207.13799	14.4
281.17368	38.5
281.30167	2.3
283.03137	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03942	12.2
53.65486	2.9
55.01877	6.3
55.05520	33.7
56.39465	3.6
57.03439	31.7
60.72287	3.0
65.03936	5.8
67.05511	85.5
69.03458	3.6
69.07068	18.1
71.05012	6.2
79.05499	100.0
81.03418	18.0
81.07067	73.3
81.11208	3.2
83.04995	34.0
83.08624	9.6
85.06563	3.7
90.52025	4.1
91.05493	70.1
93.07053	72.1
94.07439	4.5
95.04972	27.5
95.08624	36.6
97.06567	8.7
97.10213	6.1
98.23462	6.4
105.07040	59.2
107.04958	9.5
107.08619	22.4
109.06549	11.2
109.10169	10.5
117.07053	11.4
119.08607	32.4
121.10162	8.4
123.08064	11.0
128.06203	4.8
129.06996	22.7
133.10162	17.6
143.08591	7.9
145.10159	12.3
147.11707	31.1
161.13266	12.1
171.11737	30.8
185.13420	3.5
189.12753	12.5
207.13815	13.6
281.17581	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.4
55.01868	5.6
55.05515	34.1
57.03442	27.5
57.07066	1.7
65.03952	4.2
67.05508	81.8
69.03448	3.2
69.07075	17.4
71.04990	2.5
71.30486	1.9
73.06533	2.0
76.57110	1.3
77.03922	1.6
78.60931	1.2
79.05495	100.0
80.05824	1.7
81.03421	18.8
81.07059	63.3
83.04986	36.6
83.08615	10.4
85.02881	1.7
85.06548	3.1
91.05483	68.7
92.05849	1.7
93.07049	66.6
94.07382	1.7
95.04968	27.3
95.08610	41.4
97.06538	4.9
97.10178	5.8
98.97537	1.9
99.08102	1.9
101.06009	1.7
103.05501	1.9
105.07035	54.7
107.04967	8.5
107.08601	21.9
109.06515	9.7
109.10163	7.9
109.20797	1.2
111.08075	2.5
115.05442	1.7
116.98641	1.9
117.07018	12.2
119.08583	29.2
121.06485	4.2
121.10107	6.3
123.08077	10.5
127.07612	2.4
128.06250	2.8
129.07014	18.9
131.08580	3.5
133.06519	2.2
133.10121	13.4
135.11751	3.1
143.08595	9.5
145.10141	10.8
147.08063	4.2
147.11697	37.9
153.01868	1.6
154.12267	1.7
159.11653	1.7
161.09621	4.9
161.13263	15.5
171.11710	30.5
172.12122	1.5
189.12720	9.7
207.13802	11.8
221.06068	1.5
237.07658	1.7
238.06490	1.6
253.11359	4.4
266.05820	1.6
281.08051	8.0
281.11414	6.5
281.17422	34.1
281.22491	2.9
282.08908	3.1
299.06094	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	9.4
55.01865	4.6
55.05515	35.5
57.03439	30.5
57.07056	1.5
64.32619	0.9
65.03937	4.9
67.05508	83.6
68.05827	1.9
69.03427	3.2
69.06736	1.3
69.07072	15.1
69.13493	7.1
71.04980	2.2
73.06550	3.0
77.03897	1.7
79.05495	100.0
81.03416	13.5
81.07059	66.0
81.52737	1.0
83.04987	33.8
83.08638	9.3
85.06551	2.5
91.05482	67.8
93.07046	67.7
95.04971	29.2
95.08607	41.2
97.02908	1.2
97.06530	7.2
97.10199	5.2
103.05476	2.1
105.04514	3.1
105.07030	53.5
107.04968	9.6
107.08595	25.2
109.06519	7.5
109.10151	7.1
111.08086	1.2
117.07002	9.6
119.08578	28.2
121.06525	3.0
121.10126	5.1
123.08085	8.0
127.07561	1.2
128.06206	3.1
129.07018	20.2
131.08565	4.3
133.06496	2.2
133.10133	16.4
135.08023	1.2
135.11688	3.5
137.09590	1.4
143.08562	10.2
145.10118	10.5
147.08046	3.0
147.10475	1.8
147.11681	33.9
153.01787	3.1
161.09641	5.7
161.13281	17.0
163.11220	1.5
171.11702	26.6
179.14345	1.7
189.12732	11.7
207.13824	9.5
229.72816	1.1
263.07074	1.1
281.17474	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16310	0.3
53.03952	0.7
55.05526	0.4
57.94287	0.2
69.36890	1.6
69.79008	0.3
70.02941	1.1
70.06602	1.9
74.02446	13.3
78.04719	0.7
81.03419	0.6
85.02900	0.3
88.03994	23.9
89.04356	0.2
91.05470	2.0
95.04980	1.0
97.02912	0.4
99.00835	0.3
105.04516	0.4
105.07040	0.6
116.03457	7.9
120.08121	1.2
121.02894	4.5
121.06507	100.0
122.06830	2.4
131.08537	0.3
132.08083	0.4
134.04491	40.0
135.04854	0.6
139.03882	0.6
150.09146	0.5
174.12750	2.1
176.07059	0.5
183.14928	0.3
220.13339	3.2
236.09111	0.9
264.08630	1.5
282.09665	0.6
283.11694	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	282.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41499	0.7
57.74308	0.8
58.66129	0.7
62.08143	0.9
70.02944	1.1
71.28577	0.8
74.43024	0.8
79.05481	1.4
87.00349	0.9
87.00838	3.7
91.05466	4.5
91.25340	0.8
92.04498	0.9
93.07043	1.4
93.34566	1.0
105.07011	1.9
109.02848	0.9
109.06546	2.3
117.05745	1.7
118.06539	19.2
119.07323	1.7
121.06499	20.8
123.08058	2.7
133.05280	3.1
133.06497	7.3
134.05959	1.0
135.06796	5.2
137.06007	5.1
137.46461	0.8
140.54585	0.8
148.07567	26.7
149.08380	2.3
150.09143	100.0
151.09506	2.8
158.05992	4.8
174.57712	0.8
175.32961	0.8
176.07066	34.5
179.07024	3.0
181.54178	0.9
190.08601	1.2
218.06001	1.4
218.08124	26.8
219.08510	1.0
222.07648	1.6
236.09172	79.9
237.09528	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	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	30.6
67.05509	23.8
68.87099	11.9
69.07079	24.7
81.07060	33.0
83.04963	15.1
83.08607	16.7
85.02898	29.2
85.06561	13.6
93.07061	18.4
95.08622	31.9
97.02901	11.6
98.23471	23.0
98.97603	33.3
116.98627	18.6
126.98840	12.4
128.45009	14.0
134.99672	22.6
145.05104	16.7
277.00690	24.4
282.13367	37.8
282.24954	22.2
282.27859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2791
Annotation	Dodemorph
Peak:m/z	Relative Intensity
50.40991	1.1
55.05510	10.9
55.63675	1.1
56.22307	1.2
57.07064	4.5
58.06595	4.2
69.07066	16.1
69.90657	3.0
69.91050	2.0
71.08633	2.7
72.04518	46.7
81.07047	1.7
83.08623	10.7
86.06048	3.1
93.07021	1.4
95.08604	1.8
97.10168	5.0
98.23334	2.0
107.66000	1.3
114.09163	4.6
120.12050	1.2
126.85947	1.1
128.10724	3.5
134.09665	3.6
207.35298	1.6
218.65291	1.2
219.50023	1.2
265.92322	1.2
282.22183	3.5
282.27921	100.0
283.28244	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	282.3155
Annotation	Bgugaine
Peak:m/z	Relative Intensity
53.03943	0.3
55.05512	16.1
56.05841	0.4
57.03428	0.5
57.07076	4.9
58.06601	12.2
58.21601	0.3
58.69411	0.3
67.05503	1.2
69.07069	17.0
69.15884	2.0
70.07378	0.3
71.08636	2.7
72.04516	0.4
72.08144	0.7
79.05486	0.4
81.07053	0.8
83.08618	9.7
85.10179	1.6
91.05493	0.4
93.07050	0.4
95.08599	1.2
97.10173	5.9
107.08579	0.4
111.11713	1.2
128.25197	0.3
185.36459	0.3
208.20633	0.9
212.23769	1.8
264.23279	0.8
282.24606	1.9
282.31543	100.0
283.31897	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	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01865	0.9
55.05498	0.4
57.03430	1.1
61.02924	0.6
65.03941	2.9
67.05498	1.0
68.99799	0.5
69.03432	6.3
69.03819	0.3
69.07069	0.6
69.16585	0.2
70.75071	0.7
71.01355	0.5
71.05002	1.3
73.02918	0.6
79.05482	1.0
81.03418	16.1
81.07064	0.7
82.03770	0.2
83.04984	0.6
83.08614	0.3
83.22860	0.2
84.04488	0.3
85.02907	5.4
91.05471	0.5
93.07043	0.9
95.04974	4.3
95.08607	0.8
97.02897	2.9
97.06557	0.3
99.04469	1.7
105.07035	0.6
107.04987	0.5
107.08612	0.5
109.02885	7.0
109.06538	0.4
109.10189	0.3
111.04430	2.0
117.07008	0.4
119.08552	0.4
121.02869	100.0
121.10145	0.5
122.03220	1.4
122.06056	0.2
127.03911	2.1
129.63747	0.2
131.08614	0.6
133.10165	0.5
135.11665	0.6
139.03902	5.5
145.10178	0.5
149.09657	0.3
153.01859	0.6
163.11205	0.5
164.67952	0.3
175.11305	0.3
176.74500	0.3
196.08563	0.2
202.63826	0.2
209.11794	0.7
209.46385	0.3
223.05879	0.3
238.41644	0.2
255.06502	0.3
265.07074	10.1
266.07608	0.3
283.05783	0.5
283.08432	0.4
283.15244	0.8
284.33014	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	283.1289
Annotation	Thr-Tyr
Peak:m/z	Relative Intensity
55.05497	0.4
56.05027	1.2
56.96559	0.6
60.48080	0.3
65.03954	0.6
67.05502	1.2
75.06931	0.3
78.57751	0.4
79.05489	0.4
80.12177	0.3
81.07036	0.8
84.04507	24.4
85.02913	1.4
85.04921	0.4
85.75838	0.4
91.05482	13.7
95.08571	0.3
97.02875	0.4
102.05587	0.8
109.06502	0.8
109.10168	1.0
112.72077	0.4
116.98600	0.5
119.04949	10.0
121.02895	0.8
121.06538	0.4
130.05008	16.4
137.05980	100.0
138.06317	2.4
153.01826	1.3
154.08630	17.8
155.08961	0.3
156.02814	0.4
169.04964	1.1
193.04971	2.1
219.06720	0.4
220.09711	3.5
237.12358	3.6
247.06178	0.4
261.03079	1.0
265.11377	0.4
266.10245	16.1
283.05923	0.7
283.12903	9.9
283.22430	0.3
284.13135	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	283.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
55.05502	2.5
57.03436	2.1
67.05511	6.2
69.07069	2.7
71.04996	1.2
71.29750	1.1
77.21564	0.7
79.05497	4.4
81.07058	6.0
83.04980	1.8
83.08628	1.4
91.05480	3.4
93.07042	6.3
95.04964	1.6
95.08611	6.8
97.02894	1.2
97.06527	1.7
97.10172	1.0
105.07060	3.3
107.04961	1.8
107.08585	4.1
109.10146	2.4
111.04444	1.6
117.07034	1.9
119.08575	2.5
121.02874	1.9
121.06461	1.7
121.10152	3.4
123.08051	0.9
123.11721	0.9
123.69302	0.7
129.06969	0.7
131.08589	1.3
133.10196	1.8
135.11678	6.3
143.08536	1.2
145.10136	3.3
155.08586	1.0
159.11699	1.8
163.11227	6.2
169.10161	1.5
171.11641	1.2
173.09563	1.0
181.12230	1.9
185.13264	0.9
197.13257	1.5
209.11630	1.2
211.66212	0.9
227.12761	7.2
233.11482	4.2
242.31093	0.7
263.43750	1.0
265.14264	1.6
268.07242	1.2
283.15176	100.0
283.20474	4.7
284.15491	3.2
284.22092	1.3
303.34393	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.15215	0.8
55.01872	4.4
55.05516	11.8
57.03442	10.5
57.07080	2.2
65.03934	1.0
67.05509	19.0
69.03439	2.1
69.07070	10.4
71.04984	3.4
71.28028	1.0
73.31335	1.0
79.05496	31.0
80.05858	0.9
81.03416	2.3
81.07059	22.4
83.04963	5.0
83.08627	9.9
85.06526	1.1
89.06039	0.9
91.05487	10.1
93.07050	37.0
94.90127	0.8
95.04971	9.0
95.08612	41.7
97.02892	3.6
97.06518	3.7
97.10152	1.2
99.04465	2.7
105.07040	11.2
107.04945	10.4
107.08599	29.6
109.06534	1.7
109.10165	5.7
111.04433	2.6
115.00262	1.0
117.07024	10.0
118.61217	0.9
119.08573	9.9
121.06502	6.8
121.10155	14.9
125.05972	2.7
129.07097	1.7
130.07773	2.4
131.08601	1.4
133.10133	3.2
135.08046	2.8
135.11699	51.3
137.09683	1.0
139.07570	1.7
142.19431	0.9
143.08565	1.3
145.10133	30.2
153.12798	1.6
155.08574	1.4
157.10123	2.4
159.11725	0.9
163.11188	64.0
164.11523	1.8
173.09679	1.9
181.12241	15.3
185.13277	2.0
195.11679	1.1
209.11699	2.9
227.12782	100.0
228.13145	3.0
265.19556	1.0
283.15387	23.0
283.20261	7.1
284.15881	1.2
284.33090	1.8
285.78571	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	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.83001	0.3
59.47758	0.3
60.05643	0.9
62.10736	0.4
70.06589	2.0
70.73270	0.4
70.73609	0.4
73.41041	0.3
83.67909	0.3
85.02892	0.6
91.05484	0.6
95.74770	0.3
109.05138	0.8
110.03536	2.2
110.07156	0.6
114.12786	0.6
119.01934	0.9
119.04957	0.5
121.06495	1.0
128.04579	1.6
135.02141	0.5
135.03049	4.8
137.05957	2.1
152.05681	100.0
152.18294	0.3
153.01971	0.5
153.04094	8.5
153.06064	1.2
164.07286	0.4
173.07750	0.6
175.11890	0.9
176.07681	0.4
177.00987	1.0
219.02054	1.3
224.11276	0.5
224.60834	0.3
233.11607	2.1
233.61832	1.1
243.01994	0.7
261.03064	7.8
262.03177	1.0
266.02365	0.4
284.14975	1.5
284.29407	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	284.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03947	0.8
55.01875	0.3
57.03437	0.4
61.02925	0.6
61.56202	0.1
65.03910	0.1
67.05499	0.4
69.03430	1.7
69.10362	0.1
71.05008	0.2
73.02904	0.2
77.03918	0.2
81.03418	1.1
85.02905	3.2
87.04470	0.2
89.73917	0.1
91.03981	0.3
93.05777	0.6
94.06570	23.9
95.04971	0.8
95.06906	0.4
97.02901	1.1
99.04469	0.3
105.04498	0.3
106.06545	0.2
109.02876	0.2
120.89233	0.1
122.06032	100.0
123.06355	2.0
124.07561	0.6
126.21197	0.1
127.03944	0.6
134.06032	1.0
135.87126	0.1
136.07539	0.1
138.48027	0.1
145.04988	0.3
146.06009	0.4
150.05557	0.4
153.03363	0.1
157.49800	0.1
162.05504	0.4
164.07059	0.4
176.07085	0.3
187.03902	0.2
201.05527	0.2
229.04977	0.4
243.02794	0.1
257.04453	0.3
284.11325	1.5
285.03967	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	284.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01880	0.2
55.05510	0.2
57.03432	0.3
67.05513	1.3
69.07071	0.3
69.44207	0.2
71.04987	0.2
73.58682	0.1
77.03918	0.2
79.05497	0.5
81.03419	1.9
81.07051	0.6
83.08633	0.5
85.02899	0.8
91.05486	1.1
93.05759	0.3
93.07033	0.3
94.06564	3.2
95.04969	1.9
95.08599	0.2
97.59808	0.2
103.05486	0.3
105.04475	0.3
105.07035	0.5
107.04930	0.3
111.08074	0.3
115.05475	0.3
116.84919	0.2
118.06548	0.7
119.07321	0.5
119.08600	0.4
121.10114	0.2
122.06030	100.0
123.06374	2.3
123.11701	0.2
131.08516	0.3
133.10075	0.2
135.06857	0.4
146.51266	0.2
147.11650	0.3
149.09659	0.3
153.01828	0.3
157.10150	0.3
175.11201	0.4
181.10139	0.2
193.12265	1.0
201.05585	0.2
205.08907	0.2
211.13364	0.7
218.09612	0.7
220.11221	1.0
229.04895	0.8
229.42633	0.2
229.45503	0.2
238.12241	2.7
257.04453	0.5
284.11099	1.7
284.33041	0.9
285.03955	2.2
285.17175	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	284.1282
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
51.02383	0.4
53.03954	1.3
55.01871	0.3
65.03946	0.6
67.05499	0.1
72.15353	0.1
74.11258	0.1
76.42905	0.1
77.03912	0.3
79.01861	0.2
81.03408	0.4
81.07048	0.2
91.05486	14.0
92.05814	0.3
93.07050	9.6
95.04977	1.9
97.70506	0.1
101.39229	0.2
102.04681	0.2
103.05473	7.8
103.14666	0.1
104.05802	0.2
105.04501	0.8
105.07056	0.3
119.04950	22.5
120.05289	0.5
121.06511	47.3
122.06848	0.9
138.09187	0.3
147.04414	100.0
148.04741	2.3
153.01843	2.2
153.02969	0.3
163.03928	0.6
164.07068	1.8
190.08725	0.3
193.12329	0.2
195.44646	0.1
211.11188	0.1
284.12833	15.6
284.21707	0.3
285.04099	0.7
285.07001	0.2
285.13257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1282
Annotation	(+)-Graciline
Peak:m/z	Relative Intensity
50.48466	0.3
52.91969	0.2
53.03943	0.6
55.11977	0.2
62.06060	0.2
63.02385	0.3
69.16238	0.9
69.16661	0.9
77.03939	0.3
79.05495	5.9
81.07076	0.3
81.16148	0.2
89.03918	5.2
91.05478	0.8
92.99669	0.2
95.04951	1.3
98.22585	0.5
98.97586	0.3
103.05470	3.7
105.07030	49.4
106.07375	0.9
107.04959	2.4
108.46294	0.2
117.03386	9.2
119.04957	0.6
121.06514	0.8
122.09666	3.7
135.04416	17.5
137.06000	0.5
145.02846	13.7
146.03131	0.3
147.04387	1.1
163.03902	100.0
164.04228	2.4
165.06981	0.6
221.05919	0.4
225.09085	0.6
253.08612	0.9
269.07684	0.3
279.00293	0.3
284.12820	35.0
285.10559	0.3
285.13696	1.3
305.91086	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	284.1283
Annotation	(+)-Graciline
Peak:m/z	Relative Intensity
50.29600	0.2
53.03939	0.6
55.05498	0.3
61.97764	0.2
63.02363	0.3
67.05499	0.5
69.07066	0.4
71.29848	0.3
71.83468	0.3
77.03951	0.3
79.05068	0.4
79.05499	6.0
80.59470	0.3
81.03423	0.4
81.07051	0.6
83.08613	0.3
85.02911	0.6
85.06538	0.3
89.03921	6.4
89.04478	0.4
91.05470	0.9
93.07082	0.4
95.04964	1.1
95.08606	0.6
103.05467	3.5
105.07034	46.2
106.07358	1.1
107.04974	2.2
107.08589	0.3
117.03384	10.4
121.10166	0.3
122.09671	3.8
123.95815	0.2
135.04422	19.1
136.04767	0.6
137.06027	0.6
145.02855	14.6
146.03241	0.3
148.07454	0.4
163.03909	100.0
164.04221	2.7
180.06398	0.3
199.71503	0.3
284.12827	28.2
284.29431	0.6
285.13077	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	284.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.03949	1.2
55.01872	0.6
56.96548	0.2
65.03944	0.7
66.69495	0.2
67.05506	0.4
69.03436	0.2
69.07045	0.2
71.28047	0.3
76.81389	0.2
77.03918	0.3
79.05492	0.4
81.03434	0.3
81.07082	0.2
85.02872	0.3
89.36926	0.2
91.05487	14.3
93.07050	9.5
95.04967	1.9
98.97564	0.4
103.05469	7.6
105.04521	1.0
105.07033	0.8
116.98615	0.7
119.04949	21.2
120.05250	0.4
121.06511	44.3
122.06851	1.0
123.04436	1.0
134.99638	0.4
138.09091	0.2
141.74629	0.2
145.10155	0.2
147.04414	100.0
148.04752	2.4
153.01823	1.0
164.07086	1.5
218.92793	0.2
237.87590	0.2
259.68567	0.2
284.12811	13.7
285.13098	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	284.3312
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
51.28893	0.2
55.05498	0.3
57.07079	6.0
58.06599	2.0
59.07387	0.3
60.08165	25.0
65.18795	0.2
65.31696	0.2
69.07062	0.4
70.34803	0.2
70.35137	0.7
79.05531	0.2
79.86863	0.2
81.07044	0.3
85.10172	1.1
93.07035	0.3
95.04961	0.2
95.08601	0.4
95.56373	0.2
99.20021	0.3
135.41743	0.3
175.19974	0.3
176.57991	0.2
230.28072	0.2
235.51300	0.2
263.63464	0.2
284.33105	100.0
285.33435	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	285.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.1
51.02385	0.3
55.01865	0.2
57.03441	0.3
69.03433	0.3
79.01855	3.2
79.05524	0.1
80.51344	0.1
87.00858	0.2
92.81736	0.1
93.96142	0.1
97.02901	0.9
107.01321	0.8
125.02354	1.9
143.03407	5.2
153.01836	100.0
153.02812	4.5
154.02171	2.2
154.03407	0.1
195.02919	0.3
237.03990	0.4
248.82994	0.1
253.08586	0.1
263.18726	0.1
268.31467	0.1
285.03876	0.3
285.06302	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	285.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.5
55.05505	8.8
55.54173	7.8
57.07076	8.2
60.02393	8.5
60.08161	22.0
61.02901	9.1
69.03436	24.4
69.85963	28.2
71.04995	8.1
73.02926	8.7
79.05482	56.7
81.03433	27.5
81.07044	17.2
84.04507	17.1
85.02893	100.0
91.05485	20.2
93.07049	12.0
95.04951	11.1
96.30613	8.2
97.02900	26.2
100.11260	9.4
105.07021	19.0
109.02893	12.6
109.06481	12.4
109.10170	8.2
111.04438	16.2
119.08597	10.9
123.04449	43.7
127.03931	20.2
133.06459	10.0
137.05974	10.8
142.04993	14.3
145.04965	17.6
147.04396	16.2
153.05479	20.0
156.08441	21.9
157.10194	9.4
161.05928	10.6
168.06601	12.3
168.07870	15.2
196.07341	16.0
203.07083	7.5
210.11263	28.0
257.00677	13.0
284.33112	64.5
285.00494	11.6
285.33420	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03943	3.3
54.65634	0.6
55.01860	4.3
55.05501	2.1
56.81320	0.6
57.03439	9.4
57.07047	0.9
59.05011	0.7
60.08168	3.1
61.02933	8.9
67.01868	1.2
67.05509	3.4
68.99788	4.2
69.03432	18.0
69.07092	0.8
70.06583	0.8
71.04992	3.5
71.29884	1.0
73.02914	4.4
75.69388	0.7
79.05500	5.1
81.03415	16.4
81.07066	5.5
83.04968	1.3
83.08622	2.7
85.02905	100.0
85.06532	0.7
86.03234	1.1
86.09718	1.1
87.04467	2.1
91.03952	5.6
91.05476	5.5
93.07053	3.5
95.03922	0.7
95.04973	3.3
95.08609	2.8
97.02894	21.8
99.04441	3.8
100.07653	0.7
103.03958	0.9
103.05489	1.2
105.07033	12.4
107.04953	1.6
107.08588	1.8
109.02892	7.2
109.06512	1.4
109.10173	1.0
111.04493	1.1
111.08105	1.9
115.03960	1.0
115.05468	2.0
117.07009	4.8
119.08586	8.9
120.21825	0.6
121.02880	1.9
121.06497	1.0
121.10201	1.1
123.07992	0.9
123.11740	0.8
127.03925	18.6
128.06227	2.2
129.07016	5.3
131.04924	1.7
131.08563	2.9
133.06488	2.3
133.10165	1.3
137.02342	0.8
137.05989	0.8
137.09656	0.6
141.01833	1.0
141.06973	1.1
143.08563	2.9
145.04958	19.9
145.06465	2.7
146.53091	0.7
147.08017	3.4
147.11731	2.3
147.13458	0.8
149.09644	1.0
150.05510	2.4
151.03894	1.0
153.01747	0.9
153.06938	0.8
155.03757	1.0
155.04907	4.4
155.06006	1.0
155.08539	1.7
157.06509	1.1
157.10114	2.0
159.04449	0.9
159.08061	0.9
161.05962	1.3
163.06021	2.1
165.01843	12.1
167.08563	1.8
171.08052	1.6
173.05981	2.9
173.09735	0.7
175.11153	1.6
177.01808	1.4
179.03387	1.4
183.02895	10.7
183.04439	3.2
185.09589	1.2
187.03912	2.5
189.09019	0.8
191.03395	0.7
193.12250	4.6
195.08231	0.7
201.05490	9.3
201.08981	0.8
211.03914	1.5
211.13289	2.1
213.09088	1.4
229.04958	23.1
230.05353	1.0
239.03391	3.0
240.39055	0.7
257.04465	15.4
258.04941	1.0
267.15775	0.8
270.08826	0.8
284.33124	11.3
285.03946	66.0
285.07175	2.9
285.10873	2.1
285.16916	2.8
285.33371	5.4
286.04428	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	285.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.1
57.03434	6.9
62.27155	2.2
63.68662	2.4
69.25354	16.4
79.05493	7.7
81.03432	3.9
83.08643	2.2
85.02909	3.7
85.48992	2.9
87.55399	2.5
89.59959	2.4
91.05476	19.4
93.07069	2.7
95.04972	3.3
98.22627	4.5
100.11259	4.4
103.05522	3.9
105.03375	3.1
105.07034	20.0
106.04208	4.2
107.04971	9.7
107.08572	3.3
109.06525	7.0
109.51356	2.4
114.05570	2.9
115.05486	2.6
118.23923	2.4
119.04948	23.3
121.06519	11.7
123.04454	5.6
124.03960	3.7
133.06514	18.5
134.03651	4.6
135.04425	10.9
136.05226	6.0
137.06000	4.0
137.13338	2.4
140.04701	7.3
147.04410	7.4
149.06006	21.6
151.07562	15.6
153.05469	100.0
153.09093	3.6
158.63858	2.2
161.05997	40.3
165.05498	4.3
167.07072	18.1
168.06400	4.6
168.07829	77.0
169.08182	3.3
177.05559	4.0
178.98083	2.4
179.07030	10.8
181.08629	4.2
193.08611	29.4
193.12300	2.5
196.07323	76.4
209.08083	4.0
211.09668	53.5
219.34694	2.4
285.11087	3.0
285.24088	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	285.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01904	3.2
55.05524	2.7
55.18921	1.9
56.05034	3.2
57.03433	5.9
57.07070	2.8
60.08171	4.9
67.05523	4.3
69.03429	3.2
69.64999	1.7
70.06600	4.3
71.08627	3.8
71.28880	2.0
79.05502	8.4
81.03442	5.7
81.07069	4.6
84.04504	29.3
85.02926	8.2
88.11268	19.8
91.05487	28.6
93.07065	7.0
94.06580	4.0
95.05008	6.7
95.08636	2.0
97.06535	1.9
98.06063	52.9
103.05464	5.6
105.03429	2.3
105.07034	21.4
106.06601	2.6
107.04941	11.6
107.08592	3.8
109.06536	7.5
111.04490	3.0
115.05455	3.8
117.07006	2.1
118.04152	3.3
119.04948	22.7
119.08617	4.0
121.06490	13.4
122.06042	4.8
123.08035	4.3
125.06016	2.9
127.03858	2.3
130.05019	3.7
130.89351	2.0
133.06500	16.4
134.03691	4.5
135.04425	10.9
135.08107	2.2
136.05219	4.9
137.05969	3.3
140.04686	10.7
145.10176	2.4
147.04416	5.8
149.05989	15.6
150.05505	64.6
151.07562	18.4
152.03477	4.1
153.01839	4.0
153.05470	100.0
153.13937	2.6
154.12274	32.3
161.05981	30.1
167.07057	19.1
168.06395	4.9
168.07822	82.2
171.14975	5.7
175.11044	2.2
177.05449	2.6
179.07072	9.7
181.08630	6.0
191.83942	1.9
193.08630	31.3
196.07321	72.6
197.12842	2.2
199.14476	6.7
209.08183	7.1
211.09653	45.8
239.11920	3.0
241.16388	8.5
256.85022	2.3
257.00833	6.4
267.11255	3.9
284.33173	18.1
285.00412	6.3
285.03821	2.6
285.12485	8.4
285.18887	5.0
285.33511	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	285.1598
Annotation	Tropisetron
Peak:m/z	Relative Intensity
50.20145	1.4
55.01870	2.6
55.05505	4.1
57.03431	2.0
57.07072	2.9
62.62349	1.3
64.37328	1.1
67.05495	5.6
69.03432	2.1
69.07067	3.7
69.66883	4.4
72.65020	1.3
74.02447	1.6
79.01861	3.8
79.05501	8.4
79.56213	1.3
81.03420	13.2
81.07056	18.4
83.04977	2.6
83.08610	4.5
85.02920	3.4
91.05489	6.6
93.07034	5.6
95.04958	5.8
95.08613	6.1
95.69979	1.3
100.11238	1.5
100.53432	1.4
103.05477	1.3
105.07038	11.7
107.04953	1.9
107.08556	3.8
109.06481	2.4
109.10149	3.6
111.08070	1.9
117.05728	2.6
117.07058	1.9
118.06551	5.6
119.06038	1.2
119.08615	8.0
119.09339	1.3
121.06504	1.8
121.10136	2.0
123.08018	1.6
125.02356	2.4
129.06992	4.6
130.06526	24.9
131.08554	3.5
132.08080	3.4
133.10114	3.8
137.05948	2.2
143.03395	5.3
143.07341	2.7
143.08542	1.3
144.08083	19.2
145.10138	3.1
146.06007	12.6
147.08092	1.5
147.11674	3.8
153.01831	100.0
153.02823	3.8
154.02159	4.5
154.06505	5.8
155.07271	1.7
156.08093	5.5
157.10135	3.4
158.06053	1.5
159.11732	1.9
167.07321	16.5
168.08089	67.6
169.08798	3.0
170.09665	3.1
171.11746	2.0
173.13261	2.8
175.11189	3.2
180.08087	67.7
181.08701	6.3
182.05994	1.5
182.09615	6.7
188.07045	10.9
192.08150	1.4
193.08859	12.0
193.12242	7.8
194.05966	3.5
194.09683	14.3
195.10385	2.1
196.11197	2.4
198.09183	4.1
198.12814	1.9
199.14882	2.7
202.08676	1.5
206.09682	2.3
207.10426	4.5
208.07518	1.9
208.11218	36.7
209.11816	2.3
211.13283	3.0
212.07138	2.7
212.14366	7.1
213.07831	8.6
222.12791	25.9
224.14290	2.8
226.08704	4.6
229.04816	1.6
236.70213	1.4
243.11325	9.8
250.12312	6.0
253.08629	2.1
257.12793	2.0
267.21042	1.4
268.13321	98.9
269.13715	4.5
285.03928	3.9
285.12180	6.9
285.16000	4.0
285.22028	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
55.01871	4.6
55.05276	2.7
55.05516	36.9
57.03441	58.3
57.07078	2.7
59.04984	2.7
59.62145	2.1
67.05508	52.9
67.54629	1.9
69.03432	6.6
69.07085	13.3
70.10681	1.8
70.11153	2.0
70.91784	3.0
71.05003	15.1
74.20374	1.8
79.05499	49.3
79.50042	1.6
81.03423	100.0
81.07063	63.6
83.04986	22.6
83.08624	39.4
84.08934	1.8
85.02909	97.3
85.06543	7.8
85.97389	1.8
91.05480	52.5
91.06017	3.7
93.07044	37.7
95.04979	44.9
95.08607	23.9
97.02906	5.8
97.06516	11.7
97.10165	4.0
100.11256	13.7
105.07037	45.3
107.04965	10.2
107.08611	18.1
109.06538	11.6
109.10164	7.8
111.04445	3.7
111.08089	22.6
112.11249	2.6
113.05992	8.7
115.05437	2.5
117.07059	4.3
119.08593	43.7
121.06498	4.4
121.10165	23.2
123.08092	4.8
123.11724	6.8
129.07002	15.6
131.08580	21.2
133.06496	5.8
133.10130	22.7
135.11798	1.9
137.09666	2.9
142.07858	2.4
145.10168	5.2
147.08107	4.9
147.11705	29.2
149.08675	2.0
149.09610	10.9
155.08635	2.0
157.10146	24.0
159.11720	5.6
165.12852	9.2
165.14650	1.8
168.17526	5.1
169.17836	8.7
173.09734	2.5
175.11198	24.8
184.17018	3.1
192.55345	2.4
193.12248	96.5
194.12592	3.0
201.19650	7.3
211.13297	67.3
211.15149	4.3
212.13722	3.6
229.14293	2.3
257.77478	2.2
269.61868	2.1
285.07632	2.3
285.12076	2.6
285.16916	58.2
285.22144	11.4
285.25049	2.3
286.17432	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01877	4.9
55.05513	28.6
57.03439	54.5
59.04988	1.8
65.03933	1.9
67.05506	38.4
69.03445	7.1
69.07075	9.9
71.04995	11.4
75.78002	0.9
79.05496	36.2
81.03419	100.0
81.07059	50.3
83.04983	19.2
83.08623	36.1
83.09121	2.0
84.08930	1.0
85.02908	89.9
85.06537	3.2
89.31805	1.1
91.05482	44.7
92.37682	1.1
93.07049	27.2
95.04972	43.6
95.08609	19.6
97.02896	4.2
97.06529	8.7
97.10164	5.1
99.08118	2.0
105.07036	34.6
107.04958	7.7
107.08598	13.9
109.06509	8.5
109.10182	6.8
111.04432	3.3
111.07353	2.0
111.08084	22.1
113.06021	6.2
115.05421	1.3
117.07040	1.6
117.44823	1.0
119.08585	29.6
121.06509	2.6
121.10144	17.1
123.08080	3.9
123.11707	4.1
125.06030	1.6
125.09628	1.2
127.07586	2.2
129.07018	14.1
131.08575	15.4
133.06487	4.7
133.10129	13.9
134.51407	1.0
135.11644	1.6
136.43843	1.0
137.09666	1.6
137.13184	1.2
142.07773	3.7
145.10110	3.1
147.08049	4.6
147.11685	26.5
149.09605	9.8
153.01782	1.3
157.10123	21.5
163.11179	1.9
165.12782	5.7
168.17424	1.5
169.10182	1.1
169.17830	2.0
175.11194	28.4
193.12244	98.1
193.70731	1.0
194.12590	3.2
211.13295	81.2
212.13576	3.7
285.16946	51.7
285.22055	4.4
286.17258	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08247	5.8
54.23223	5.4
55.05521	36.8
57.03434	44.2
57.07074	10.8
57.97794	6.0
60.08165	11.0
67.05498	49.0
69.03394	6.9
69.07062	16.3
71.04994	10.3
71.08640	6.8
79.05500	29.5
81.03426	86.9
81.07063	67.6
81.78713	6.0
83.04993	19.9
83.08618	37.2
83.42750	6.9
85.02908	88.3
91.05492	54.1
93.07058	43.7
95.04961	41.7
95.08607	23.5
97.06554	6.3
98.23390	9.4
104.82314	7.1
105.07018	36.2
107.04947	7.8
107.08584	17.8
109.06515	8.3
109.10185	9.0
109.41068	6.5
111.08035	11.6
113.06018	8.7
119.08578	32.4
121.10147	26.4
123.11696	9.2
129.07043	22.1
131.08566	19.2
133.10167	16.3
147.11678	25.3
152.02074	5.5
157.10106	31.3
164.92097	14.9
175.11166	28.5
188.25459	7.2
193.12256	100.0
211.13303	61.2
228.79776	7.3
282.68723	5.5
284.33167	39.5
285.16815	43.7
285.22049	13.5
285.33383	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01858	4.5
55.05512	28.2
57.03439	57.0
57.07067	2.4
59.04980	1.6
60.08154	3.5
64.61189	1.1
65.03925	2.0
67.05506	46.5
67.19510	1.2
67.50117	1.3
69.03420	5.8
69.07061	11.4
71.04989	9.8
74.08378	1.2
75.27817	1.2
79.05080	2.2
79.05496	35.6
81.03419	96.1
81.07058	50.3
83.04985	16.8
83.08620	40.2
84.08941	1.4
85.02905	96.0
85.06521	3.9
87.04464	2.8
91.05484	48.1
93.07044	32.0
95.04971	41.0
95.08609	20.4
97.02886	4.5
97.06523	9.4
97.10148	5.3
99.04453	1.5
99.08077	2.1
105.07033	41.3
107.04925	6.1
107.08596	14.7
107.57246	1.4
109.06506	9.4
109.10184	6.3
111.04433	5.2
111.08076	22.2
113.06005	9.8
115.05415	2.2
116.06181	1.1
117.07009	3.0
119.08589	30.2
121.06485	1.9
121.09431	1.5
121.10150	16.7
122.10434	1.8
123.08038	4.9
123.11692	4.3
125.09658	1.9
129.06998	16.0
131.08575	18.1
133.06462	3.8
133.10130	16.4
137.09607	2.3
142.07718	3.0
145.10086	3.2
147.08038	5.4
147.10611	2.3
147.11688	29.2
149.09619	9.8
151.11124	1.4
157.10123	25.7
165.12750	7.0
175.11183	27.7
185.09613	1.2
193.12242	100.0
194.12526	4.0
199.30750	1.2
211.13293	69.2
212.13565	2.7
283.64999	1.2
284.33075	4.6
285.16910	54.1
285.22055	4.0
285.33356	5.3
286.17245	3.6
291.00299	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01874	7.5
55.05519	31.9
56.24215	1.8
57.03442	47.3
59.05014	3.4
62.70293	1.9
63.00002	2.0
65.03966	2.7
67.05511	44.2
69.03427	7.2
69.07069	8.8
71.04999	13.4
77.44756	2.0
79.05497	45.5
81.03424	100.0
81.07063	50.3
83.04991	25.3
83.08624	30.4
85.02914	86.2
85.06566	2.7
91.05484	50.4
93.07052	34.3
95.04974	46.7
95.08611	22.0
97.02906	4.9
97.06528	10.6
97.10193	2.9
100.11258	3.6
103.05513	2.3
105.07041	46.6
107.04962	9.6
107.08604	15.3
109.06527	11.5
109.10188	10.7
111.04453	5.2
111.08099	16.7
113.06017	7.5
115.05450	3.9
117.07075	3.7
119.08589	31.8
121.06524	3.8
121.10141	18.3
123.08095	11.2
123.11739	4.0
125.05953	2.2
125.09656	4.5
128.06151	2.3
129.06996	15.1
131.08589	16.5
133.06477	4.9
133.10143	20.5
137.06000	4.8
137.09602	4.0
142.07790	3.6
145.10115	2.8
146.03670	3.8
147.08084	3.5
147.11676	20.1
149.09598	9.9
152.06210	2.2
153.01831	10.6
153.06987	3.7
154.07854	2.8
157.10129	19.4
161.06010	13.4
161.09641	2.4
165.06978	20.5
165.12790	7.0
167.08582	2.8
175.11214	29.5
178.07626	2.0
181.06500	5.7
182.07277	9.0
191.03383	2.6
192.05580	3.8
193.06535	12.2
193.12251	76.1
193.14030	3.7
194.12531	2.5
197.05775	3.0
197.09669	2.8
199.07536	2.8
209.06108	3.3
210.06807	14.3
211.11290	2.8
211.13300	44.9
211.15205	3.5
221.06006	21.1
224.08366	3.6
225.09081	29.8
227.07047	7.0
229.05054	2.7
231.13832	2.2
237.05692	3.0
238.06334	5.7
239.06966	2.6
242.09479	2.3
249.15047	4.7
252.07831	3.3
253.08633	29.4
255.06566	5.3
257.04413	4.0
267.10068	11.4
267.15927	6.7
270.08823	8.2
278.74500	2.1
285.03998	7.7
285.07498	8.1
285.11212	63.4
285.16904	51.5
285.24203	3.7
286.11395	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
52.50356	1.2
53.03950	4.4
55.01873	4.1
55.05515	12.4
57.03442	16.5
67.05511	17.7
69.03441	5.5
69.07072	4.7
69.81950	4.8
71.04996	4.7
79.01846	3.2
79.05498	18.0
81.03421	100.0
81.07062	22.3
82.03762	2.1
83.04994	9.6
83.08621	21.3
85.02911	20.2
85.06572	2.5
91.05486	29.4
93.07046	13.5
95.04974	29.7
95.08613	10.6
96.04390	1.4
97.02913	5.3
97.06532	3.0
100.11302	2.7
103.05455	1.7
105.07043	18.4
107.04967	7.6
107.08607	4.2
109.06518	9.4
109.10168	2.6
111.04450	2.0
111.08088	12.0
113.06009	1.7
115.05448	2.5
117.07047	2.5
119.08580	16.6
121.06544	2.7
121.10144	8.2
123.04436	3.0
123.08096	2.6
123.11729	1.8
125.02312	2.2
128.06219	1.7
129.07005	8.9
130.06517	1.7
131.08559	8.2
133.06493	2.9
133.10135	6.6
135.07994	1.8
136.87277	1.4
137.05885	1.3
137.09583	2.9
138.86559	1.6
142.07771	1.9
143.03407	4.0
147.08099	2.0
147.11696	11.8
149.09644	3.0
153.01837	88.0
153.05472	3.5
153.07072	1.3
154.02187	1.7
155.04968	2.9
157.10159	11.4
158.05994	3.2
161.06007	6.1
165.07039	6.6
165.12749	2.3
175.11200	13.9
179.08618	1.8
181.06519	2.7
182.07309	2.4
183.04520	1.5
185.07169	4.0
193.06525	5.0
193.12253	43.4
194.12592	1.9
197.13161	1.3
201.05505	4.7
209.06007	2.1
210.06801	3.8
211.13278	16.6
213.05501	1.7
221.05997	5.4
224.08273	1.4
225.09055	6.9
227.07181	1.4
229.04996	9.6
238.06181	1.9
239.08177	3.0
242.05928	1.9
243.11267	1.8
252.08037	1.7
253.08601	9.8
257.04550	7.8
257.09116	2.2
267.10291	4.2
267.15869	9.6
269.04529	3.0
270.05435	2.2
270.08633	1.8
285.03976	33.8
285.07596	12.1
285.11282	18.9
285.16785	12.0
286.04324	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.1
57.03436	18.7
67.05508	40.4
69.07059	22.7
69.13683	46.5
79.05489	33.0
81.03410	34.1
81.07066	68.3
83.04984	13.0
83.08628	23.1
85.02905	25.0
85.06534	7.4
91.05483	60.1
92.05804	8.6
93.07057	100.0
95.04972	24.9
95.08608	25.9
96.36493	7.3
97.06533	17.0
99.04442	13.0
99.08117	9.3
105.07044	57.6
107.08586	43.4
109.06524	23.4
109.10146	26.2
111.08052	25.6
114.85243	7.0
117.07034	8.2
119.08600	44.5
121.06496	55.1
121.10136	17.7
123.08077	15.4
123.11707	17.0
125.05996	12.8
127.07537	16.0
129.07019	13.9
131.08586	21.6
133.06548	8.3
133.10124	23.2
135.08032	18.0
139.07617	11.2
142.07780	9.2
143.08611	11.2
143.73761	7.3
145.10132	20.6
147.08046	8.6
147.11696	82.5
157.08673	11.7
157.10147	27.6
161.13252	8.2
161.38689	7.0
165.12704	35.5
171.11684	18.4
175.11134	36.9
183.13928	7.3
189.12656	34.7
193.12230	53.4
199.11206	28.1
207.13924	11.9
210.06917	8.4
211.13290	22.3
217.12250	97.8
218.12511	7.7
229.14276	9.4
235.13318	42.1
249.15013	9.4
253.14404	19.7
267.15979	13.3
285.11456	9.6
285.16949	26.0
285.22101	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.4
55.05508	26.7
57.03442	7.0
57.21142	5.0
63.10025	4.7
63.69525	4.3
67.05513	23.9
68.82885	3.9
69.03445	9.8
69.07081	25.7
79.05501	23.7
81.03419	12.3
81.07059	53.7
83.04988	14.0
83.08636	32.5
83.71025	4.4
85.06558	4.4
91.05482	33.3
93.07040	92.0
95.04960	26.7
95.08620	32.3
97.06528	31.7
98.23450	8.9
98.94756	3.9
99.04454	5.8
105.07034	56.2
107.08597	46.5
109.06505	25.9
109.10166	23.1
111.08100	35.2
112.50240	4.0
117.07045	6.0
119.08594	51.5
121.06502	21.2
121.10152	16.0
123.04414	10.9
123.08056	20.3
123.11731	7.7
125.06001	9.6
125.09631	45.7
127.07606	9.0
129.07027	5.1
131.08582	12.9
133.10138	31.3
135.08069	17.4
135.11624	8.0
136.96158	4.1
137.06044	4.8
139.07542	30.2
141.05453	6.3
142.67603	4.0
145.10109	8.0
147.08051	4.5
147.11688	100.0
149.13309	15.5
151.11168	5.5
155.08626	4.6
157.08604	47.8
157.10091	18.1
159.11658	4.6
161.13283	11.4
163.07655	5.5
165.12770	65.6
171.11670	11.3
173.13274	7.3
175.11211	59.7
189.12779	30.5
191.14355	10.6
193.12247	82.9
207.13896	21.3
211.13313	10.9
217.12209	47.0
225.14783	21.1
235.13332	43.3
253.14394	21.5
267.15762	12.7
285.16837	14.3
285.22028	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05516	25.5
57.07071	6.0
67.05506	33.0
69.07072	62.9
69.32100	17.0
71.04997	7.6
79.05506	16.1
81.07066	54.9
83.04944	5.0
83.08641	10.3
86.13030	4.6
91.05478	26.6
93.07045	35.9
95.04984	14.9
95.08611	48.4
97.06522	19.4
98.23373	7.3
105.07033	74.3
107.08604	47.2
109.06507	20.3
109.10166	36.7
111.08093	10.1
117.07029	12.8
119.08585	100.0
121.06510	14.7
121.10178	45.0
123.08103	7.3
123.11723	38.2
128.06241	7.1
129.06996	8.0
131.08606	16.2
133.10138	60.4
135.08061	17.6
135.11703	17.7
137.09650	8.0
143.08578	11.8
145.10115	34.7
146.07292	11.4
147.08182	4.8
147.11719	23.1
148.08917	4.1
149.13237	8.6
155.08604	9.2
157.10191	13.1
159.08031	6.0
159.11710	18.6
161.09636	81.9
161.13289	5.5
169.10072	4.9
171.11758	6.8
173.13268	12.0
175.11304	5.7
175.14833	79.4
177.16451	15.2
182.10855	5.2
183.11707	9.9
185.13327	12.2
187.14844	5.2
189.12677	5.7
189.16284	7.7
193.15906	16.7
197.13342	14.8
201.12813	4.3
211.14867	18.1
215.17921	5.2
267.21097	24.9
282.38681	4.1
285.22131	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	68.9
57.03439	4.6
57.07082	19.6
67.05509	62.7
68.79253	3.4
69.06688	5.3
69.07066	92.1
70.20735	9.8
71.04992	9.3
71.08641	9.0
79.05500	31.9
81.03425	5.2
81.07056	100.0
83.04986	5.9
83.08618	56.2
85.02898	5.3
85.06519	6.2
87.04472	4.3
91.05486	22.7
93.07042	41.6
95.04969	4.9
95.08611	89.7
97.06540	14.7
97.10177	49.6
99.08097	7.4
105.07022	22.2
107.04234	4.5
107.04971	6.4
107.08598	28.9
109.06514	3.6
109.10158	34.2
111.08102	7.9
111.11706	22.7
119.08593	21.5
121.05733	3.3
121.10154	36.9
123.08039	5.3
123.11723	14.9
124.68880	3.6
125.13270	5.9
131.08577	6.5
133.10126	21.7
135.11678	34.7
137.09521	4.0
137.13260	6.5
139.11159	12.6
147.11700	16.9
149.13309	7.5
150.56538	3.9
151.11102	4.0
151.14796	11.0
153.12708	11.4
159.11665	4.5
161.13242	16.3
165.12840	6.8
175.14807	7.9
175.24762	4.2
179.14336	6.1
184.13417	4.2
189.16428	6.0
193.15833	4.3
217.19519	49.6
227.09702	3.5
235.20561	36.5
251.64268	3.6
253.21709	8.6
264.10849	4.5
285.21988	8.6
286.27670	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0923
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03933	0.4
63.00048	0.5
68.99805	1.1
69.03426	1.2
70.06588	1.2
71.30720	0.6
72.08156	0.4
74.17328	0.3
75.04485	0.4
76.87459	0.4
78.03461	2.0
79.05504	0.6
79.95300	0.4
80.05014	3.3
81.03427	2.2
85.02905	3.5
91.05467	0.4
96.04491	2.3
97.02905	1.0
98.98475	0.4
99.04454	0.6
104.13271	0.4
106.02924	12.1
106.03623	0.7
107.04962	0.7
108.98765	0.4
109.02888	2.4
109.40102	0.4
110.03699	0.6
111.04392	0.5
121.02821	0.4
124.03960	100.0
125.04295	1.7
125.05988	1.0
127.03907	1.1
135.04454	0.5
137.02420	0.4
149.02382	1.5
151.03917	1.2
153.01848	0.6
157.06537	0.5
163.03998	0.4
165.05499	0.6
171.04454	0.5
173.09225	0.6
175.03928	0.4
177.05440	0.6
185.05989	0.5
190.95363	0.6
199.04051	0.6
203.03336	1.0
205.30064	0.4
213.05518	1.3
231.06519	1.4
232.96457	0.7
241.05000	0.7
245.04457	0.7
250.07072	4.2
259.06006	1.3
263.03003	0.5
268.08112	2.5
269.04449	0.8
286.09222	35.6
286.17700	0.9
287.05502	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
61.02928	1.4
65.53880	0.6
66.00771	0.6
68.99797	1.3
69.03430	2.4
70.06592	1.3
71.33054	0.9
73.02901	1.9
79.05495	1.0
81.03432	0.8
85.02912	4.1
86.09710	0.9
86.93391	0.6
87.04449	0.7
91.05489	3.3
97.02899	1.1
99.04485	0.9
106.06561	100.0
107.06879	1.8
107.36922	0.7
108.08120	0.8
115.03905	1.3
118.06544	20.6
118.07343	1.4
119.05299	0.6
120.08095	2.2
124.07608	3.1
130.06551	4.9
132.08139	2.1
134.06027	2.1
144.08113	0.8
146.06033	1.1
148.07561	2.7
149.02299	1.1
150.65985	0.7
160.07686	1.6
173.09218	1.0
186.09126	0.8
199.03941	1.1
213.05434	1.2
232.09555	0.8
245.04530	0.7
250.10869	1.2
250.88718	0.7
268.11856	1.8
287.05487	11.9
288.07361	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	286.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34959	0.7
55.01884	1.2
57.03432	1.5
61.02928	2.2
69.03426	2.7
70.37931	1.4
73.02906	2.1
76.58649	0.8
81.03427	1.2
85.02924	3.7
91.05474	4.6
97.02921	1.0
106.06558	100.0
107.06903	2.4
117.05747	1.4
118.06545	22.0
118.07344	1.6
120.08121	2.1
124.07587	1.8
130.06526	3.4
132.08089	1.9
134.05978	1.2
146.06020	1.6
148.07597	3.4
160.07578	1.5
204.10367	0.7
250.10832	1.3
254.22017	0.8
268.11777	1.5
279.66592	0.7
287.05496	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	286.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27109	0.6
53.03931	0.9
53.38499	0.6
56.05021	1.5
60.04522	6.5
61.02905	0.7
63.21033	0.6
65.18726	0.7
68.04937	0.6
68.99793	4.0
69.00132	0.7
69.03424	1.6
70.06593	68.9
71.06908	1.2
71.29720	0.9
72.08144	1.4
78.03445	1.7
80.05011	2.8
81.03397	1.4
81.07074	1.0
83.06102	3.0
84.04505	66.8
84.08160	0.9
85.02888	2.8
86.09699	2.2
91.05441	0.7
95.04960	2.3
95.06090	1.3
96.04481	3.3
97.02874	1.5
100.03983	0.8
101.07148	2.7
106.02907	7.4
109.02858	0.7
110.07158	4.1
111.00799	1.8
112.07600	0.9
116.07092	51.3
120.08100	1.2
121.02858	0.9
121.06506	0.7
122.02763	1.7
123.04436	10.6
124.03954	100.0
125.04292	2.0
126.05520	1.7
127.03939	1.1
129.06599	1.9
130.04967	1.6
137.02313	0.9
141.10225	1.0
143.08147	10.7
145.06520	1.0
147.04405	0.9
153.01822	1.8
163.12311	1.5
165.05443	4.0
169.09715	0.8
170.09308	1.0
171.04440	2.1
171.07655	16.1
171.09081	1.3
173.07140	1.7
173.09250	1.4
175.03937	1.2
183.11299	0.9
183.14949	1.3
185.05984	1.4
187.10782	8.7
189.05405	1.0
197.09196	0.8
199.03918	2.9
201.05438	1.0
203.03372	1.5
208.14485	1.0
213.05426	2.6
215.13983	2.4
217.05013	1.6
219.06570	1.1
231.06505	0.9
240.03018	1.1
241.04936	1.4
245.04494	3.5
250.07143	2.0
254.14987	1.2
268.16699	0.9
269.04431	1.9
286.04288	1.0
286.09229	25.2
286.12439	1.1
286.17606	5.2
287.05496	27.9
287.10660	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38174	0.5
55.05523	1.7
56.05041	0.7
59.04996	2.1
61.02931	5.1
68.05026	0.6
68.99799	1.2
69.05039	0.8
69.05443	2.8
70.06602	5.6
71.05002	5.2
72.08139	0.6
79.05492	2.2
81.04551	1.0
81.07061	11.4
82.05323	1.7
83.06105	11.2
84.04512	1.9
87.08114	1.2
93.04531	7.1
95.06094	16.4
95.06695	0.9
98.23414	1.0
107.06068	1.5
109.07605	0.6
110.07172	100.0
111.00847	0.7
111.05589	1.8
111.07519	1.8
112.07613	3.4
112.08737	2.9
113.09710	0.7
116.07069	1.0
119.06050	1.0
120.06837	0.5
121.07635	1.9
124.03950	2.7
124.07645	0.7
140.07077	1.7
146.09654	0.6
156.07701	12.3
163.12312	51.9
164.12657	1.7
166.06148	2.2
171.04506	1.1
171.11221	0.6
173.06047	0.5
190.13402	8.0
193.13383	1.2
199.03940	1.3
203.03406	0.8
208.14461	11.8
208.16376	0.8
212.15190	1.1
213.05424	0.8
217.05069	0.6
219.11343	1.9
236.13901	7.5
240.17085	8.6
241.15503	0.8
242.18611	0.8
245.04430	0.9
254.14993	20.5
255.15341	0.8
263.00955	0.7
269.04422	0.6
286.17618	65.1
287.05487	7.3
287.17941	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	286.9567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29650	5.1
69.29719	30.8
78.91886	5.3
85.66764	5.5
94.93039	27.0
102.59962	4.9
122.75723	5.2
149.97276	4.5
150.91995	5.1
162.95496	5.8
204.87091	10.3
250.93568	16.9
268.94617	100.0
286.95663	74.5
306.05243	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	287.0551
Annotation	Kaempferol
Peak:m/z	Relative Intensity
51.02392	0.1
53.03944	0.3
53.19897	0.1
55.01862	0.2
55.05507	0.1
55.96521	0.1
56.15216	0.1
57.95529	0.1
61.84281	0.1
61.86539	0.1
65.03931	0.4
66.75372	0.1
67.01868	0.4
67.05513	0.2
68.99790	2.6
69.03422	0.3
69.07078	0.1
70.54884	0.1
70.65368	0.1
71.01353	0.2
78.01077	0.1
79.05503	0.8
81.03410	0.3
81.07049	0.3
83.92997	0.1
89.72383	0.1
91.05486	0.3
93.03400	0.1
93.07094	0.1
95.01306	0.1
95.04977	0.5
95.08596	0.2
97.02907	0.2
103.05473	0.3
105.03387	1.1
105.04482	0.1
105.07027	0.3
107.04958	1.4
109.02883	0.9
111.00808	1.5
111.04456	0.4
115.05444	0.4
117.06999	0.2
119.04937	0.2
119.08552	0.1
121.02872	7.6
121.03919	0.4
121.06509	0.3
121.10149	0.1
122.03187	0.1
122.06805	0.1
127.03906	0.4
128.06212	0.1
129.07002	0.4
131.04932	0.1
131.08604	0.1
133.02847	1.1
133.10167	0.1
135.04402	0.4
135.08037	0.1
136.07568	0.4
137.02344	2.7
137.05995	0.1
139.05409	0.1
141.06961	0.4
143.04944	0.1
145.02872	0.1
145.06485	0.6
145.10112	0.2
146.45103	0.1
147.04399	1.6
148.04759	0.1
149.02350	0.2
151.03946	0.2
153.01828	11.7
154.02176	0.3
155.06046	0.1
157.06505	1.5
159.11639	0.1
161.02394	0.2
161.05954	0.5
163.03900	0.1
163.07683	0.1
164.07098	0.2
165.01845	3.9
166.02489	0.1
167.08621	0.2
169.06506	0.1
171.02954	0.1
171.04413	0.7
173.06000	0.1
175.03868	0.2
175.07619	0.2
179.03346	0.1
183.02895	1.9
183.04465	0.2
184.05139	0.1
185.05972	1.2
189.05499	0.4
191.03467	0.1
193.01291	0.1
194.02142	0.1
195.04289	0.1
195.08047	0.1
197.05978	0.4
199.03941	0.2
201.05527	0.1
203.03378	0.2
203.07051	0.3
212.04691	0.1
213.05469	3.9
214.05878	0.1
216.04208	0.2
227.10582	0.2
229.04982	0.5
231.06538	1.2
241.04947	1.9
242.05634	0.2
243.06354	0.2
258.05237	2.4
259.05997	1.0
263.05103	0.1
269.04379	0.4
287.05490	100.0
288.05826	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	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
53.54471	0.2
55.05506	0.2
57.03432	0.1
65.03925	0.4
67.01850	0.3
67.05504	0.6
68.99794	2.4
69.03440	0.3
70.06609	0.1
79.05493	1.0
81.03420	0.5
81.07045	0.5
82.03769	0.1
91.05496	0.9
93.03400	0.1
93.07045	0.6
94.04160	0.1
94.06554	0.2
95.04975	0.5
95.08582	0.2
97.02841	0.2
97.06507	0.3
103.05466	0.3
105.03403	1.2
105.04504	0.2
105.07018	0.4
107.04953	1.5
109.02868	0.9
109.10155	0.4
111.00805	1.7
111.04443	0.4
115.05435	0.2
117.07005	0.3
119.04960	0.3
119.08605	0.4
121.02872	6.9
122.03232	0.2
122.06028	0.4
124.07609	0.3
127.03854	0.3
128.06212	0.2
129.06995	0.5
131.08560	0.2
133.02846	0.8
133.10170	0.2
135.04416	0.3
136.07582	7.6
137.02332	2.2
141.06990	0.3
145.06502	0.5
147.04411	1.4
151.03835	0.2
152.07076	0.5
153.01834	11.8
154.02219	0.3
157.06499	1.4
161.02321	0.2
161.05986	0.5
164.07072	5.2
165.00504	0.2
165.01849	3.8
167.04738	0.2
169.06435	0.2
171.03099	0.2
171.04427	0.8
173.11775	0.3
175.03867	0.3
175.07547	0.2
181.15457	0.1
183.02899	1.7
184.05328	0.2
185.05972	1.0
189.05452	0.4
197.06018	0.3
199.03978	0.3
203.03432	0.2
203.07091	0.3
212.04863	0.1
213.03598	0.3
213.05481	3.0
214.05807	0.2
216.04164	0.2
217.05038	0.2
229.04951	0.5
231.06520	1.2
241.04889	1.8
243.06537	0.2
244.17018	0.1
258.05267	2.2
259.06061	1.0
260.18497	0.1
265.79520	0.1
269.04416	0.4
287.05496	100.0
288.05817	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	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.73043	0.1
53.03947	0.3
55.01881	0.2
63.50355	0.1
65.03941	0.5
67.01863	0.3
68.33434	0.1
68.99450	0.2
68.99795	2.7
69.03410	0.2
70.23118	0.1
71.01347	0.2
79.05494	0.7
81.03410	0.3
91.05486	0.1
95.04964	0.4
98.22590	0.2
103.05448	0.3
103.38503	0.1
105.03399	1.0
105.04484	0.2
107.04964	1.4
109.02881	0.7
111.00810	1.4
111.04403	0.3
113.64801	0.1
115.05434	0.3
117.07008	0.2
119.04900	0.2
121.02874	7.2
121.03928	0.5
128.06250	0.3
129.06999	0.3
131.04997	0.1
133.02850	1.3
135.04419	0.5
137.02351	2.2
139.05449	0.2
141.06987	0.3
144.95367	0.1
145.06503	0.5
147.04427	1.3
151.03871	0.1
153.01834	11.3
154.02155	0.2
157.06485	1.4
161.05948	0.4
165.01834	3.9
169.06494	0.2
171.03026	0.2
171.04359	0.6
175.07550	0.2
183.02898	1.7
184.05164	0.1
185.05974	1.1
188.92758	0.1
189.05508	0.3
194.02103	0.2
197.05949	0.3
199.03946	0.2
203.03564	0.1
203.07068	0.4
212.04694	0.1
213.05486	3.3
216.04219	0.3
223.04086	0.1
229.04973	0.4
231.06516	1.5
241.04977	1.7
242.05731	0.2
243.06438	0.2
258.05246	2.2
259.06046	0.8
269.04514	0.5
287.05499	100.0
288.05835	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	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10266	0.2
50.25694	0.2
53.03939	0.3
65.03939	0.5
67.01859	0.4
68.99790	2.5
69.03444	0.3
70.06598	0.3
70.33119	0.4
79.05495	0.7
81.03400	0.3
95.04974	0.3
98.23358	0.2
103.05475	0.4
105.03409	1.1
107.04938	1.6
109.02906	0.9
111.00800	1.8
111.04445	0.4
115.05466	0.4
119.04919	0.2
121.02868	7.9
121.03857	0.4
121.06530	0.2
127.03939	0.3
128.06210	0.2
129.07066	0.4
131.04991	0.2
133.02856	0.6
135.04448	0.3
137.02351	2.7
141.06998	0.4
143.04961	0.2
145.06461	0.4
147.04413	1.5
153.01830	12.9
154.02138	0.4
155.06061	0.2
157.06473	1.9
161.05984	0.4
165.01840	4.2
169.06471	0.2
171.04361	0.9
173.06015	0.2
175.03906	0.2
175.07626	0.2
183.02892	2.0
185.05994	1.4
189.05444	0.4
194.02115	0.2
195.08118	0.2
197.05992	0.4
199.03903	0.2
203.03479	0.3
203.07034	0.3
213.05467	3.9
214.05936	0.2
216.04211	0.2
217.04984	0.2
227.10617	0.2
229.05034	0.5
231.06503	1.3
241.04913	1.8
242.05684	0.2
243.06465	0.2
245.04518	0.2
255.10205	0.2
258.05228	3.1
259.05942	0.9
263.05475	0.1
269.04434	0.4
287.05487	100.0
288.05811	4.8
288.09018	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	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88919	0.1
54.36422	0.2
58.19673	0.1
60.97656	0.2
65.03945	0.4
67.01865	0.4
68.99789	2.6
69.03445	0.2
70.55135	0.3
72.64114	0.2
75.60570	0.2
79.05496	0.7
81.03420	0.3
83.72114	0.2
91.05495	0.2
95.04974	0.3
97.02927	0.2
103.05480	0.2
105.03374	0.8
107.04932	1.2
109.02884	0.9
111.00802	1.5
111.04448	0.3
117.07036	0.2
119.04993	0.2
121.02877	6.9
121.03861	0.4
129.07002	0.5
133.02869	0.9
135.04460	0.3
137.02338	2.4
141.06941	0.2
145.06473	0.5
147.04407	1.4
153.01836	11.0
157.06494	1.5
161.05940	0.4
165.01842	3.7
171.04422	0.6
183.02884	1.4
185.05951	0.8
189.05499	0.4
197.05908	0.4
203.06981	0.3
213.05466	3.6
216.04318	0.2
229.04977	0.5
231.06540	1.1
237.49318	0.2
241.04936	1.5
242.05586	0.2
243.06476	0.3
258.05228	2.5
259.06052	0.9
269.04453	0.3
287.05499	100.0
288.05844	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	287.0551
Annotation	Kaempferol
Peak:m/z	Relative Intensity
51.01269	0.1
53.03940	0.3
55.01867	0.3
65.03941	0.4
66.47894	0.1
67.01874	0.5
67.35564	0.1
68.99445	0.2
68.99794	2.3
69.03414	0.2
71.01371	0.1
79.05494	0.6
81.03416	0.4
83.01388	0.1
91.05496	0.2
93.03416	0.1
95.01315	0.1
95.04969	0.3
97.02895	0.1
103.05482	0.2
105.03387	0.9
105.07022	0.1
107.04958	1.2
109.02885	0.8
111.00810	1.7
111.04430	0.3
115.05455	0.2
117.06995	0.2
119.04932	0.2
121.02870	7.6
121.03901	0.3
127.03910	0.3
128.06227	0.2
129.01738	0.1
129.07028	0.3
133.02863	1.0
135.04437	0.5
137.02336	2.3
138.23296	0.1
139.05432	0.1
141.06961	0.2
143.04907	0.1
144.05806	0.1
145.06502	0.7
145.21402	0.1
147.04414	1.6
147.08044	0.1
148.04797	0.1
151.04047	0.1
153.01831	11.1
154.02203	0.2
155.06036	0.1
157.06487	1.4
160.05116	0.1
161.02386	0.1
161.05960	0.5
163.03888	0.1
165.01839	4.0
166.02507	0.1
169.06447	0.1
171.02931	0.2
171.04393	0.8
173.06107	0.1
175.03915	0.3
179.03520	0.1
183.02902	2.2
183.04472	0.2
185.05977	1.2
189.05478	0.3
195.04410	0.1
197.06000	0.3
199.03931	0.2
203.03410	0.1
203.07127	0.2
212.04556	0.1
213.05461	3.6
214.05930	0.2
216.04225	0.1
217.04970	0.2
227.03200	0.1
229.04962	0.5
231.06514	1.5
241.04944	1.5
242.05551	0.2
243.06483	0.3
245.04433	0.2
257.04755	0.1
258.05255	2.5
259.06012	1.2
265.80356	0.1
269.04312	0.4
270.05032	0.1
270.48297	0.1
276.32867	0.1
287.05490	100.0
288.05814	3.9
288.08502	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	287.0549
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03956	0.3
56.35550	0.2
59.36535	0.2
65.03941	0.6
66.69292	0.2
67.01860	0.3
68.99456	0.2
68.99792	3.1
79.05484	0.9
81.03419	0.4
81.78685	0.2
95.04979	0.2
97.64816	0.3
105.03394	1.1
107.04966	1.4
107.76242	0.2
109.02867	0.9
111.00809	2.2
111.04438	0.4
115.05465	0.2
117.07010	0.3
121.02869	7.4
121.03883	0.4
127.03886	0.3
128.06264	0.3
128.94185	0.3
129.06981	0.6
133.02831	1.0
135.04401	0.3
135.24011	0.2
136.97261	0.3
137.02338	2.5
145.06447	0.7
147.04390	1.5
150.02095	0.3
153.01833	12.1
154.02213	0.2
157.06494	1.8
165.01837	3.9
171.04391	0.9
183.02908	1.7
185.05946	1.4
189.05574	0.3
197.06010	0.3
201.05467	0.3
203.07065	0.4
204.85269	0.2
213.05437	3.7
229.04916	0.3
231.06531	1.1
241.04913	1.6
245.04434	0.2
258.05234	2.5
259.06058	1.2
269.04349	0.4
287.05490	100.0
288.05850	4.8
296.82629	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	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
55.01854	0.2
55.32155	0.2
57.25958	0.1
63.13390	0.2
65.03940	0.4
67.01882	0.3
68.99783	2.2
69.91078	0.5
79.05479	0.6
81.03419	0.3
91.05453	0.2
95.04921	0.3
97.02899	0.2
98.22635	0.1
105.03390	1.0
107.04934	0.9
109.02876	1.0
111.00785	1.3
111.04462	0.2
112.11172	0.2
115.05508	0.3
118.06535	0.2
121.02869	7.2
121.03855	0.4
127.03910	0.3
128.06218	0.3
129.07007	0.6
130.06516	0.8
133.02866	0.9
135.04436	0.4
137.02333	2.2
141.06937	0.3
144.08109	1.0
145.06509	0.5
146.05988	0.4
147.04390	1.3
153.01825	11.4
157.06476	2.0
161.05954	0.5
165.01825	3.6
167.07301	0.2
168.08076	2.2
169.06471	0.3
170.09613	0.1
171.04424	0.6
181.08878	0.2
182.09712	0.4
183.02910	1.5
183.06628	0.2
185.05974	1.0
188.07042	0.5
189.05498	0.2
197.06041	0.3
199.03961	0.2
201.05527	0.2
203.03447	0.3
203.07013	0.3
210.12845	0.6
213.05450	3.0
214.15935	0.6
217.04935	0.2
224.14363	0.5
229.05055	0.4
231.06555	1.5
241.04984	1.6
258.05270	2.3
259.05899	0.7
269.04431	0.4
270.14822	2.2
287.05478	100.0
288.05811	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	287.0551
Annotation	Norartocarpetin
Peak:m/z	Relative Intensity
53.80957	0.2
55.01873	1.0
58.71843	0.2
66.42862	0.2
68.99793	30.6
69.25667	1.3
77.03949	0.3
81.03410	0.3
91.05476	0.7
97.02908	0.2
103.05473	0.7
105.03410	0.5
105.07046	0.6
109.02899	0.5
111.00807	8.9
111.04436	0.3
115.05470	2.1
117.07028	1.4
119.04953	0.5
121.02883	0.8
123.04447	0.3
124.03959	0.3
125.02357	0.4
127.03893	0.4
128.06213	0.8
129.07016	1.9
131.04915	1.3
133.02878	0.8
137.02347	1.1
139.05440	1.0
141.06979	0.7
143.04939	1.2
144.05693	0.4
145.06508	4.4
147.04419	3.8
149.02348	3.2
149.06000	0.3
150.03072	0.4
153.01834	0.9
155.04918	1.1
155.06044	0.5
157.02797	0.4
157.06499	4.2
159.04456	1.1
161.02267	0.3
161.06004	1.5
163.03905	0.8
167.04939	0.7
169.06506	0.6
171.04417	20.7
172.04767	0.6
173.05956	8.2
173.07086	0.7
174.06354	0.4
175.03915	6.3
175.07602	0.3
177.01823	0.7
177.05470	3.0
179.03378	0.4
183.04486	0.4
185.05983	5.8
187.03860	0.6
189.05463	4.3
191.07086	0.6
193.04973	0.7
194.73659	0.2
195.04321	1.2
197.06001	1.6
199.03908	30.9
200.04231	1.3
201.05470	10.8
201.07355	0.5
202.05972	0.4
203.03395	8.6
203.07027	0.8
213.05470	16.5
214.05801	0.7
217.04971	14.0
218.05710	1.5
219.06525	10.7
220.06828	0.4
223.03941	1.7
224.04590	0.2
225.05467	0.7
227.03401	7.4
228.03883	0.3
229.04887	0.4
231.02850	0.2
231.06503	2.9
241.04958	12.6
242.05540	1.0
245.04463	24.6
246.04820	1.2
258.05112	0.4
259.06015	3.6
269.04446	9.3
270.04965	0.7
287.05496	100.0
288.05823	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	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01862	0.3
56.79001	0.1
65.03935	0.2
65.80978	0.1
66.74655	0.1
67.01873	0.7
67.05495	0.3
68.99448	0.2
68.99791	2.6
69.03429	0.3
69.07057	0.2
69.85685	0.5
69.86031	0.2
71.05012	0.4
72.47997	0.1
79.05516	0.7
79.05915	0.2
81.03410	0.4
81.07076	0.2
85.02941	0.2
89.03914	0.2
91.05489	0.2
91.83248	0.1
93.07023	0.3
93.59823	0.1
95.04980	0.5
95.08617	0.2
95.12272	0.1
97.02846	0.2
103.05419	0.3
105.03398	0.8
105.07034	0.4
107.04939	1.1
107.08601	0.3
109.02889	0.7
109.10158	0.2
111.00813	1.3
111.04432	0.4
115.05447	0.2
117.03365	0.3
117.07032	0.3
119.04910	0.2
119.08542	0.3
121.02873	5.0
121.03860	0.3
127.03910	0.2
128.06154	0.2
129.06998	0.5
130.06555	0.2
133.02838	0.7
135.04388	1.0
137.02348	1.9
137.09593	0.4
144.08063	0.3
145.06511	0.7
145.10062	0.2
147.04401	1.0
153.01834	10.4
154.02217	0.2
157.06497	1.4
161.02367	0.4
161.05983	0.3
165.01839	2.5
168.05821	0.2
168.08142	0.8
169.06458	0.2
171.03018	0.2
171.04424	0.9
173.05920	0.2
175.03940	0.3
177.01755	0.1
179.03426	0.2
182.09610	0.2
183.02888	1.1
184.05130	0.2
185.05957	0.9
189.05542	0.3
197.06145	0.2
199.03912	0.5
201.05496	0.2
201.12721	0.2
203.03404	0.3
203.07135	0.2
210.12762	0.4
212.14948	0.2
213.05438	2.9
214.15915	0.3
217.04945	0.3
219.06633	0.2
224.14265	0.3
229.04980	0.4
231.06482	1.2
241.04955	1.6
242.05605	0.2
243.06462	0.2
245.04509	0.4
258.05225	1.8
259.06021	1.1
269.04498	0.7
270.14859	1.1
287.05493	100.0
288.05823	4.5
293.24280	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.1
55.05510	0.1
63.76525	0.1
65.03951	0.1
67.01869	1.9
68.99788	1.5
69.03432	0.1
72.93865	0.0
74.77901	0.1
79.05498	0.3
79.05893	0.1
81.03381	0.1
81.07057	0.1
83.01345	0.1
89.03903	0.9
91.01859	0.1
91.05485	0.1
93.07026	0.1
95.04954	0.1
95.08607	0.1
97.02903	0.1
98.23447	0.1
103.05470	0.1
105.03393	0.1
105.07023	0.2
107.04964	0.4
109.02889	0.1
111.00828	0.3
111.04430	0.2
115.05386	0.1
117.03383	0.8
117.06989	0.1
121.02888	0.1
121.06529	0.1
122.72157	0.1
125.02362	0.2
127.03937	0.1
129.01819	0.4
129.07028	0.1
131.04861	0.1
135.04417	4.7
135.08032	0.2
136.04648	0.1
137.02342	1.4
137.03389	0.1
137.05986	0.2
139.05443	0.2
141.06900	0.1
143.01268	0.1
145.06543	0.1
145.10094	0.1
147.04396	0.2
149.05952	0.2
151.07533	0.1
152.06255	0.1
153.01828	12.2
154.02113	0.3
157.06494	0.2
161.02332	1.3
161.06007	0.1
163.07579	0.2
165.07019	0.1
165.09064	0.1
167.04907	0.1
167.08549	0.4
171.02913	1.1
171.04398	0.2
177.05547	0.1
178.04448	0.1
179.03392	0.6
185.05913	0.4
189.05527	0.1
194.07230	0.1
195.04411	0.1
195.08090	0.6
197.06024	0.1
199.03920	0.2
201.05380	0.1
203.03438	0.2
203.90163	0.1
209.09573	0.1
211.07408	0.1
213.05415	0.6
216.04173	0.1
219.06578	0.1
223.07532	0.2
227.03377	0.1
227.10608	0.6
228.13821	0.2
231.06531	0.1
241.04933	1.4
242.05367	0.1
244.03717	0.1
245.04454	0.2
255.10312	0.4
258.05243	0.1
259.06021	0.2
263.05508	0.2
269.04428	0.9
270.05176	0.1
286.04642	0.1
287.05487	100.0
288.05826	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	287.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90541	0.3
53.01041	0.3
55.01883	1.0
64.61792	0.3
64.94213	0.3
67.05504	0.6
69.07070	0.5
70.48455	0.7
70.48769	0.5
71.50179	0.3
78.73289	0.3
79.05489	0.6
80.10387	0.3
81.07052	1.0
82.50690	0.3
91.05462	2.6
93.07050	0.5
95.08614	1.3
100.03989	0.5
103.05479	1.1
105.07036	1.2
107.08598	0.5
115.05444	6.0
117.05738	1.1
117.07006	3.4
118.06544	47.2
119.06889	0.4
119.08594	0.9
128.04982	0.4
130.06529	100.0
131.06876	2.3
131.08504	0.5
132.08086	4.7
133.10094	0.7
142.06516	10.6
143.04868	0.4
143.07312	5.3
143.08411	0.7
144.04459	0.9
144.08093	20.9
145.06482	0.5
145.08418	0.7
145.10156	0.5
146.06007	86.1
147.06371	1.9
147.11688	0.7
149.13185	0.3
153.01880	0.7
155.06070	0.9
157.07617	0.5
157.10185	0.7
158.04492	0.4
158.05956	0.8
159.09178	16.8
159.11702	0.6
160.07590	3.1
160.09541	0.6
168.08124	1.6
170.06009	20.5
171.06320	0.6
171.09212	0.5
181.07605	2.5
188.07065	96.5
189.07419	2.6
195.09171	3.8
196.07629	0.8
213.10254	2.7
223.08673	8.8
241.09724	25.0
241.19540	0.9
242.10028	1.0
243.20975	0.5
251.08235	0.7
259.10764	1.1
269.09198	5.0
269.22440	0.5
287.05457	6.3
287.10229	9.1
287.13321	0.6
287.16687	0.4
287.20013	1.3
287.23636	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	287.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71432	0.7
54.87003	0.8
57.39500	0.7
68.99794	3.5
69.07069	0.7
79.05487	1.8
81.07071	1.6
95.08619	1.7
97.72147	0.7
105.03405	1.5
105.07021	1.7
107.04946	1.6
107.08512	0.7
109.02854	0.7
111.00795	1.7
121.02868	6.2
131.08562	0.7
133.02885	1.2
135.04491	0.8
137.02335	2.7
145.10138	0.9
147.04401	1.0
153.01840	10.2
154.01997	0.8
157.06497	1.4
165.01892	3.3
171.04362	1.2
183.02919	1.5
185.05905	0.9
202.05661	0.6
213.05481	4.0
213.07182	0.7
231.06630	1.3
241.04959	1.7
245.04298	1.0
258.05298	2.4
259.06000	1.0
269.04422	0.9
287.05515	100.0
287.12531	94.5
287.23621	1.3
288.05893	5.8
288.12839	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	287.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84426	0.6
65.03921	0.7
68.05035	5.2
68.99792	7.4
69.07076	1.2
70.06581	1.6
70.79196	1.1
70.79540	1.0
72.08146	1.8
76.04958	0.6
81.07085	0.8
85.02927	0.7
86.06070	21.0
86.09216	1.2
86.09706	15.1
91.05505	3.2
98.06066	1.5
98.23314	0.8
99.08102	0.8
111.00811	2.6
114.05547	0.8
115.05431	0.8
116.07088	1.0
119.04888	0.7
121.02866	1.1
123.04433	0.7
128.10725	8.0
129.06961	0.6
130.06514	1.4
132.06569	45.3
133.06728	0.8
137.02357	3.7
144.08072	5.5
145.06517	1.3
147.04430	1.5
147.80051	0.7
149.02354	2.1
150.03172	0.7
153.01830	1.2
156.10182	1.3
157.06470	1.7
157.13388	0.7
163.03949	0.8
164.86212	0.6
171.04391	5.2
173.05963	1.1
175.03914	2.7
180.07979	0.7
185.05983	2.9
189.05426	1.3
199.03876	7.1
201.05486	3.0
203.03410	2.3
213.05453	5.9
217.04971	2.9
219.06491	2.5
227.03302	1.2
231.06471	1.3
234.63579	0.7
241.04968	4.8
245.04544	5.2
259.06012	1.6
269.04453	2.6
287.05490	100.0
288.05838	6.5
288.20255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
50.22000	2.0
50.43732	2.3
51.41844	2.1
55.03279	2.6
55.05511	6.1
57.07092	4.4
67.05520	12.2
69.07075	30.6
71.04994	3.2
79.05486	6.3
81.06636	2.3
81.07067	15.4
83.08631	3.0
91.05482	11.2
93.07054	6.8
95.08615	17.2
97.06506	3.9
98.10997	2.6
99.04467	2.8
104.39506	2.9
105.07034	20.4
107.08614	15.0
109.10162	17.8
111.04450	5.9
111.08089	6.2
113.06013	13.1
117.07018	5.2
119.08591	27.7
121.10146	8.7
123.11715	12.4
131.08614	11.1
133.10129	24.7
135.11685	5.4
137.09682	3.1
143.08635	5.7
145.10130	19.9
147.08011	2.8
147.11676	15.1
149.13333	3.5
156.09364	3.6
157.10147	8.0
159.11751	17.0
161.09624	4.8
161.13275	19.0
169.10106	2.6
171.11705	11.7
173.09734	4.2
173.13307	7.8
175.11278	2.8
175.14821	19.3
177.06793	3.0
183.11734	3.3
185.13263	4.0
187.11244	3.5
187.14830	4.3
188.15588	6.0
189.16418	7.9
191.10677	4.0
199.11194	3.1
201.16360	18.5
205.12245	7.1
213.12849	5.0
217.12277	3.4
227.18001	6.8
229.72566	3.0
231.13828	11.0
241.19469	3.4
245.19196	3.3
269.19077	11.4
287.05493	5.8
287.20114	100.0
288.20413	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	288.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90627	2.3
54.28418	2.3
55.05509	3.0
61.02931	2.8
65.03929	2.7
68.99791	8.1
69.03425	2.6
70.00156	2.5
70.06595	12.3
70.33405	6.7
72.08158	31.4
78.79310	2.2
81.03432	3.1
81.07040	2.1
85.02908	21.7
86.02457	2.3
86.09713	31.4
91.05482	100.0
92.05763	3.1
93.03434	3.0
93.07020	2.6
97.02898	17.5
98.23354	2.4
107.04976	3.4
111.04460	7.7
111.28242	2.0
123.04406	15.2
123.23077	2.6
127.03915	16.4
129.10236	18.6
130.06479	3.5
132.10149	4.7
135.04411	41.1
137.02293	3.4
139.03891	28.7
144.08049	3.9
145.04967	8.4
151.03934	7.0
153.01743	3.4
157.09706	6.7
157.13353	10.5
159.04453	2.7
161.56468	2.4
163.03911	9.8
168.08171	3.6
170.09647	10.6
175.11874	5.7
177.05515	2.4
180.08156	3.1
185.12888	3.4
186.06386	2.3
190.05815	3.1
198.09157	2.5
199.00604	2.4
200.04266	8.0
202.05750	3.5
205.04843	3.0
214.05811	6.1
215.11671	3.6
218.05247	2.9
225.10315	3.0
232.63197	2.1
242.05284	4.0
243.06560	3.4
246.04875	4.8
271.06168	5.6
271.10800	2.8
288.05835	83.8
288.20145	11.2
289.06854	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	289.0708
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02368	1.3
53.03945	1.6
55.01867	2.8
65.03935	3.4
67.05510	5.3
68.99786	6.1
70.89648	1.4
77.03938	2.2
79.05494	2.2
83.01351	1.2
83.04980	1.3
89.03903	3.6
91.05479	1.4
92.83929	0.8
93.03411	2.5
94.06559	1.7
95.04968	8.5
103.05460	2.1
104.05003	0.8
105.03397	2.9
105.04466	1.1
105.07011	1.0
107.04948	2.0
108.62225	0.8
108.85355	0.7
111.00832	2.1
111.04429	4.3
115.05453	2.1
117.03366	3.6
119.04942	0.9
121.02863	0.9
121.06501	1.7
123.04432	100.0
124.04787	2.9
127.03938	4.6
130.06532	70.5
131.04898	5.6
131.06883	2.5
132.04446	18.2
132.05380	1.2
133.06476	1.5
135.04422	13.1
139.03905	55.3
140.04185	0.9
141.06992	1.4
145.02826	5.2
146.06036	2.7
149.05988	3.4
151.03897	10.6
154.06497	1.3
155.04909	1.1
157.07619	44.7
158.06018	72.7
159.04442	8.0
159.06349	2.7
161.05963	2.0
163.03903	27.9
169.06390	1.5
169.07619	2.0
171.79396	0.8
173.05894	1.2
173.07158	2.8
175.08679	29.8
176.08969	1.1
177.05453	3.4
183.04427	1.2
185.05957	2.1
187.03825	5.3
197.05531	1.1
197.07297	7.6
199.08670	17.4
200.09045	0.8
201.06673	2.4
203.08379	1.4
205.04965	5.5
215.07007	1.2
217.09760	1.0
221.09305	1.5
225.06662	2.5
229.04926	2.2
243.07933	5.9
245.04442	1.1
245.09296	5.6
253.04863	1.7
259.17276	0.8
261.08817	3.9
271.06842	2.8
289.06964	16.8
289.10715	1.1
290.07553	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	Tragopogonic acid
Peak:m/z	Relative Intensity
53.62092	0.9
55.01877	2.3
56.05904	0.9
65.03941	2.7
67.01859	1.7
68.99812	5.2
70.06593	1.6
70.81755	2.2
79.46413	1.0
91.01807	1.2
91.05487	5.1
93.03413	2.8
95.04993	1.5
107.04948	21.1
111.04453	3.0
116.07094	2.6
119.04964	3.3
121.02850	8.5
123.04421	7.7
124.33445	1.0
127.03907	6.2
131.04903	1.6
135.04431	13.7
139.03900	16.1
141.07004	5.0
145.02882	2.6
145.06541	1.2
147.04390	3.2
147.08122	1.5
148.04732	1.5
149.02342	66.9
150.02692	1.4
151.03946	3.5
153.01831	16.8
159.04427	2.4
163.03906	2.9
167.03412	1.2
169.06479	6.5
171.02823	1.6
176.63087	1.2
181.06465	1.2
185.05968	1.2
187.07590	1.6
197.05881	7.1
205.05049	1.6
213.05534	1.4
215.07031	72.3
216.07394	3.7
225.05469	1.5
243.06526	100.0
244.06923	4.9
248.45787	1.3
253.04852	2.9
259.06015	1.7
261.07681	1.9
271.06009	32.6
272.06485	1.9
289.06970	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	289.0706
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.00303	2.0
65.03928	3.3
67.05516	1.3
68.99782	3.6
70.37222	1.1
70.37530	1.1
89.03917	1.6
91.05474	1.6
93.03428	3.5
93.07124	0.7
95.04944	1.3
107.04977	4.2
111.00788	2.0
111.04423	5.1
112.29788	0.6
117.03387	1.7
121.02866	3.2
123.03548	1.5
123.04430	26.3
127.03917	17.5
131.04929	2.2
135.04417	31.6
137.02319	0.8
139.03899	100.0
140.04222	2.9
141.06976	1.6
147.04391	1.2
148.04761	1.5
149.02324	11.9
149.05959	2.5
151.03899	14.8
153.01820	2.3
159.04428	2.7
163.03905	19.4
164.04442	0.7
169.06465	2.0
177.05466	1.6
179.03439	4.3
179.07002	1.6
187.03908	1.5
187.07491	0.8
197.05977	2.7
201.05493	1.2
205.04944	9.9
215.07002	11.2
216.07330	0.7
221.10739	0.7
225.05487	0.9
231.06728	1.4
243.06529	15.0
244.06795	1.5
247.05930	1.0
253.04991	0.9
259.06070	2.0
261.07596	2.1
271.05981	10.0
289.07059	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Robtein
Peak:m/z	Relative Intensity
51.02385	0.7
55.01871	2.0
61.76955	0.4
65.03933	1.8
66.69083	0.5
67.05504	2.6
68.99793	2.9
69.78649	1.6
69.98023	0.4
77.03943	1.5
79.05492	1.0
81.09019	0.5
82.02934	1.5
83.01299	0.5
83.04971	0.7
85.02923	0.4
87.00823	1.4
89.03925	2.5
91.05478	0.6
93.03407	1.3
93.49343	0.5
94.06567	2.2
95.04960	4.5
98.23399	0.5
103.05455	1.3
104.04978	0.5
105.03397	1.3
107.04959	1.3
111.00799	1.4
111.04460	2.3
115.05447	1.8
117.03391	2.2
119.04911	0.6
121.02856	0.5
121.06519	0.9
123.04429	58.6
124.04711	1.1
127.03931	1.5
130.06528	92.1
131.04968	2.6
131.06848	2.7
132.04451	26.6
133.04802	0.7
133.06483	0.5
135.04413	7.3
139.03902	30.6
140.04213	1.0
141.06935	0.7
145.02864	2.4
145.06456	0.5
146.06020	3.3
149.02333	0.8
149.05957	1.9
151.03897	6.0
154.06548	1.2
155.04947	0.5
157.07613	53.6
158.06015	100.0
159.04416	4.4
159.06369	4.0
161.05981	0.6
163.03905	15.7
164.04253	0.5
169.07671	2.7
169.08801	0.5
171.09229	0.6
172.07536	0.5
173.05847	0.7
173.07166	2.9
175.08675	43.2
176.07129	0.5
176.09023	1.8
177.05484	2.0
179.03401	0.8
181.07661	1.1
184.06291	1.6
185.05930	0.8
187.03886	3.7
197.07207	9.5
199.03761	0.7
199.08673	21.0
200.09035	0.8
201.06688	5.4
203.08267	3.0
205.04922	4.1
217.09724	0.9
221.09235	1.8
225.06654	4.8
229.05006	0.5
233.07039	0.5
243.07756	9.2
245.04463	1.7
245.09271	7.1
247.07185	1.1
253.04909	0.7
261.06448	0.6
261.08771	5.6
271.07263	3.5
289.06985	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.00307	0.7
53.03938	0.7
55.01869	0.9
55.05512	0.9
58.10052	0.6
65.03937	6.4
67.05495	2.7
68.99787	3.6
69.03437	0.8
71.04987	2.1
71.28915	0.9
77.03922	0.7
79.05495	3.8
81.03403	1.7
81.07052	1.4
83.05005	1.4
86.09662	0.8
89.03924	2.8
91.05466	1.5
92.62587	0.6
93.03410	8.8
93.07072	2.9
95.04980	3.9
95.08589	1.5
97.02877	0.9
99.04411	0.7
103.05454	0.7
105.03370	1.0
105.07005	2.1
107.04287	0.9
107.04958	11.5
107.08607	1.7
109.02846	1.1
111.00821	1.3
111.04443	24.7
115.05487	0.7
115.94346	0.5
117.03390	3.9
119.08611	0.6
121.02845	3.2
121.06516	1.7
121.10165	2.4
123.04429	49.8
124.04752	0.8
127.03917	14.1
129.06998	0.8
131.04959	3.9
131.08565	1.0
133.06520	0.7
134.85226	0.6
135.04414	100.0
136.04726	1.4
137.02377	3.4
137.03349	1.0
139.03899	56.3
139.11172	1.0
140.04262	1.2
141.06992	1.4
145.02803	0.9
145.10072	0.9
147.04372	0.8
149.02344	10.4
149.05945	2.5
149.09677	1.3
151.03903	20.8
152.04759	0.6
153.01801	4.4
157.06578	0.8
159.04428	2.5
161.05948	1.2
163.03900	20.0
163.05196	1.3
163.11139	0.8
167.03471	0.9
167.10718	1.4
169.06471	1.4
177.05466	2.1
179.03412	2.5
185.06030	1.1
187.03922	2.5
189.03003	1.1
197.06001	1.7
200.81229	0.7
201.05338	0.7
205.05014	3.0
213.05505	2.6
215.07152	4.0
225.05478	0.9
229.04973	1.1
231.06485	3.8
233.07256	0.7
241.05086	1.5
243.06494	4.6
245.08098	2.8
247.05875	0.7
259.06012	6.0
261.07608	7.3
271.06000	6.9
289.06842	14.8
289.10663	3.2
289.13864	0.6
289.20773	1.1
312.50000	0.8
314.13925	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	289.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01871	4.3
55.05518	10.1
56.05039	1.9
57.03436	3.7
57.07069	8.1
65.03925	2.5
67.05505	27.0
68.99796	2.6
69.03436	4.0
69.07068	15.6
70.46401	1.6
71.04999	45.8
71.29062	2.2
73.91663	1.6
74.09727	16.3
79.05497	51.5
81.03424	1.9
81.07062	22.5
83.04994	10.2
84.04509	39.4
85.06554	10.7
87.00832	8.1
87.04475	7.6
88.64063	1.5
91.05466	9.6
93.07050	73.6
95.04978	4.0
95.08612	26.9
97.06542	12.8
101.06030	2.8
103.05444	2.8
105.01855	2.1
105.07037	6.6
107.04961	4.1
107.08602	10.0
107.09222	1.6
109.06495	2.1
109.10159	2.7
111.04470	4.8
111.08061	3.8
115.03943	3.9
119.08592	2.8
121.06516	21.4
121.10151	100.0
123.04429	8.5
123.08071	2.8
125.05991	4.5
127.03909	3.7
127.78571	1.5
130.05017	13.9
130.06523	11.6
131.08569	8.8
132.04483	4.9
135.04410	5.8
135.05452	1.5
139.03925	6.2
139.11194	53.9
139.12152	2.0
140.10710	52.6
146.06041	3.8
149.09637	23.2
152.03459	5.3
153.01875	2.9
157.07616	10.8
157.12247	47.3
157.13400	4.7
158.06018	13.1
161.05927	1.7
167.10686	22.9
174.11243	1.5
175.08635	7.8
185.11662	9.6
185.13104	1.9
186.11275	1.9
187.04022	1.9
198.03946	4.0
199.08647	3.3
199.13257	3.1
203.08101	3.2
203.12639	2.8
218.02129	4.7
243.13646	8.5
245.09346	2.3
261.03995	3.2
271.12976	4.4
289.03381	6.0
289.06100	7.6
289.14041	2.9
290.17667	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	289.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67615	3.2
53.03947	6.3
55.01877	5.0
55.05507	14.2
56.26078	3.5
57.03431	5.6
57.07073	3.8
66.57717	3.6
67.05512	26.3
69.03432	7.9
69.07069	16.7
69.23102	18.7
71.05001	50.6
73.95109	3.2
79.05072	4.3
79.05502	68.1
81.03422	3.7
81.07063	35.0
83.04982	13.0
85.06547	14.3
87.00882	3.3
87.04483	10.4
91.05492	20.9
93.07053	89.3
95.04990	6.4
95.08607	26.9
97.06545	14.7
105.07020	12.9
105.87508	2.8
107.04991	7.0
107.08623	23.2
109.10165	4.6
111.04444	5.0
111.08064	6.1
115.03947	4.9
116.73098	3.2
119.08574	8.5
121.06551	16.1
121.10153	100.0
121.11038	6.6
123.08088	6.4
123.11752	4.2
123.94588	4.4
124.25546	2.8
125.06033	5.7
125.09634	4.5
131.08574	18.7
133.10103	3.8
135.04419	6.8
137.09555	3.4
139.03906	11.1
139.11180	32.2
143.08485	3.8
149.09631	32.8
153.01865	11.5
157.12263	31.2
161.09792	3.6
163.03905	5.2
167.10696	33.8
185.11768	6.9
218.02097	6.3
261.03995	5.0
271.40097	3.6
289.03366	10.4
289.06482	13.9
289.18039	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	289.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	4.0
57.06798	0.6
57.07078	11.5
58.07391	0.4
65.03934	0.6
69.52237	1.7
70.02934	0.6
74.09721	26.8
75.10056	0.5
75.21523	0.4
79.05452	0.4
83.06097	2.4
84.04506	73.0
85.02934	0.7
85.04829	0.7
87.00841	1.2
89.64810	0.4
91.05494	0.5
93.03403	0.9
93.07040	0.9
95.04996	0.4
102.05557	0.7
102.61648	0.4
107.04881	0.5
111.04469	0.6
123.04443	3.6
124.03948	1.3
127.03889	3.8
130.05008	24.9
131.05331	0.8
135.04407	4.5
137.02327	0.6
139.03902	4.6
139.12299	2.3
140.10701	100.0
141.11082	3.0
142.04982	1.0
146.06010	2.9
151.03944	0.9
152.03426	7.6
157.12097	0.5
157.13374	9.4
163.03954	2.5
170.04474	1.0
174.05490	0.5
177.05470	0.4
183.11263	1.8
185.12900	4.0
186.11278	3.9
186.12796	0.6
198.04015	5.5
199.14465	1.1
203.13968	2.7
205.05035	0.5
225.12381	2.0
229.11794	1.2
243.13408	18.4
244.13681	0.8
246.19594	0.7
253.11874	1.6
271.05933	1.0
271.12875	5.0
289.06055	14.3
289.13892	6.5
301.39810	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	289.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30635	0.4
55.05518	0.7
56.05036	3.2
57.07076	9.7
59.04410	0.5
67.05505	2.2
69.03418	0.7
69.07063	1.2
71.05000	3.4
71.28661	0.5
74.09721	26.3
79.05486	3.7
81.07067	3.0
83.06107	1.6
84.04506	69.0
84.08171	0.8
85.04851	0.8
85.06548	1.2
87.00851	1.7
91.05477	0.6
93.07043	5.7
95.04953	0.6
95.08628	2.4
97.06493	0.8
98.06046	0.5
101.06049	0.5
105.03416	0.5
105.07063	0.5
107.08561	0.7
110.18945	0.5
111.04450	0.6
121.06522	1.4
121.10152	7.8
123.04417	1.4
124.03931	1.4
130.05008	24.0
130.06445	2.5
131.08563	0.5
132.04451	0.9
135.04521	0.9
139.03860	1.3
139.11188	5.9
139.12323	2.1
140.10703	100.0
141.11031	2.2
142.05011	1.4
144.13870	0.5
146.06018	0.6
149.09628	1.8
152.03430	6.3
157.07632	1.7
157.12216	3.2
157.13380	9.7
158.06046	2.0
158.11736	0.6
161.02234	0.5
167.10687	2.2
170.04529	1.3
175.08649	0.8
183.11299	2.3
185.11610	0.4
185.12927	4.1
186.11259	3.5
190.20435	0.5
198.03999	5.7
199.14542	1.1
203.08214	0.6
203.13979	3.5
205.01224	0.6
214.96280	0.5
216.04874	0.7
218.02104	1.4
225.12331	2.2
229.11916	0.8
233.00722	1.0
243.13416	16.8
253.11790	1.5
261.00299	5.1
262.00681	0.6
271.12875	5.6
289.03229	1.1
289.06128	1.9
289.13998	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	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.6
55.01887	3.6
55.05519	6.5
57.39260	2.4
65.03945	10.6
67.05501	11.1
68.99781	2.8
69.03423	3.5
69.07065	9.1
71.02146	3.0
71.05004	6.1
72.53442	2.6
79.05486	15.4
81.07061	28.7
83.04980	9.2
85.06544	4.3
86.09676	3.3
86.30936	2.7
89.03929	7.6
91.05478	11.8
93.03419	11.2
93.07048	32.8
95.04980	12.2
95.08604	15.3
97.06528	18.4
99.04446	5.2
105.07028	24.4
107.04963	8.4
107.08576	14.8
109.06515	15.0
111.04459	20.1
111.08112	8.1
117.03399	9.5
119.08595	12.1
121.06506	51.3
121.07352	4.1
121.10175	4.2
123.04420	74.8
123.08046	3.3
123.11740	3.5
125.05997	7.4
127.03927	18.0
127.07555	10.5
129.06955	2.4
131.04929	3.3
133.06509	5.3
133.10196	7.9
135.04414	100.0
135.08063	8.6
135.11703	2.8
136.04849	2.9
137.02397	4.0
137.05948	6.0
139.03900	57.5
139.04883	4.6
139.07507	13.3
143.08586	3.5
145.02885	4.1
147.08046	5.9
147.11699	32.6
149.02332	6.1
151.03929	20.7
152.45302	2.7
153.01797	6.6
157.08655	9.0
157.10156	10.4
161.06032	3.6
161.13275	7.3
163.03917	51.5
165.12772	10.7
169.12262	3.3
171.11688	7.9
175.11150	17.4
177.05470	2.9
179.03467	3.3
182.59987	2.6
187.04010	3.9
189.12672	13.4
193.12317	21.4
197.06084	4.5
199.11240	16.0
205.05049	6.4
207.13782	5.8
211.13300	14.5
215.07083	3.4
217.12216	49.2
229.14362	3.6
231.06624	3.7
235.13277	40.9
244.52980	2.9
253.14363	16.8
259.06039	3.6
261.07529	6.0
271.06131	6.6
289.06992	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03942	4.6
55.05510	34.2
57.07067	5.9
59.04720	3.6
59.05005	59.3
62.37252	1.6
67.05504	13.0
69.07067	10.0
69.08767	9.7
69.09174	3.1
71.04973	1.8
73.06570	3.1
79.05480	7.9
81.07069	12.2
83.04967	2.8
83.08646	3.6
85.06548	100.0
88.37885	1.8
91.05481	17.3
93.07058	24.2
95.04980	3.1
95.08607	30.7
97.06527	1.8
99.08084	20.3
105.07029	16.3
107.08596	11.8
109.10162	4.5
111.08067	7.1
117.07043	7.4
119.08601	17.2
121.10130	5.2
125.09621	24.1
128.06189	1.9
128.25610	1.8
129.07037	5.1
130.07797	2.7
131.08575	21.7
133.10147	17.7
135.08058	2.8
135.11780	2.7
139.11147	4.4
141.06932	3.3
142.07779	13.9
143.08568	12.7
144.09349	5.2
145.10121	14.8
147.11691	8.4
149.09634	4.2
151.11151	2.0
153.07043	2.0
155.08575	8.5
156.09334	7.1
157.10135	38.5
158.10948	10.5
159.08115	2.0
159.11694	21.3
161.09659	2.8
161.13287	3.0
163.11288	2.3
167.08633	3.1
168.09378	6.1
169.10121	10.6
170.10878	3.2
171.11705	13.2
173.13283	43.6
177.12787	6.0
181.10159	3.1
182.10925	4.7
183.11693	32.6
184.12318	2.6
187.14903	2.1
189.12769	5.3
191.14214	3.3
194.10945	2.9
195.11795	2.9
197.13213	15.4
198.14124	2.4
199.14862	9.8
201.12778	11.7
205.15912	3.8
209.13226	8.0
210.13991	3.3
213.16374	4.5
215.14304	5.0
217.15932	4.5
224.15674	4.9
229.15842	1.8
230.16536	3.4
231.17444	2.3
233.15404	4.4
239.17937	17.1
241.15819	2.3
256.18286	2.4
257.18991	13.4
259.16977	7.8
271.17670	2.1
271.20496	12.0
274.19330	4.4
289.21640	99.6
290.22009	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	289.2162
Annotation	Pipataline
Peak:m/z	Relative Intensity
50.24259	0.6
53.03938	1.4
53.88903	0.6
54.47552	0.6
55.01882	1.5
55.05513	15.3
57.07077	1.0
57.67886	0.9
58.94557	0.7
59.05001	1.1
65.03940	0.9
67.05506	17.3
69.03442	0.7
69.07073	13.6
69.70950	0.6
69.71265	3.2
71.04985	0.8
73.06544	2.0
79.05492	17.9
81.07061	22.1
83.04978	4.1
83.08630	5.7
85.06542	3.7
87.08107	1.0
89.38702	0.6
91.05482	40.7
92.05813	1.2
93.07047	15.3
94.07363	0.8
95.04955	2.5
95.08611	14.6
97.06520	1.1
97.10161	1.5
99.08103	1.1
103.05466	1.4
105.07034	66.1
106.07365	2.0
107.08594	10.2
109.06534	1.4
109.10159	5.6
111.08093	0.9
115.05450	1.1
117.07015	11.9
118.07770	0.7
119.08582	48.2
121.06500	0.8
121.10162	6.0
123.08067	1.2
123.11722	1.1
128.06320	0.6
129.07011	3.6
131.08566	20.7
132.09326	1.8
133.10135	43.4
135.08054	1.9
135.11688	2.2
141.07013	2.0
142.07823	1.0
143.08617	3.4
144.09328	0.9
145.10124	17.4
146.10742	0.7
147.07999	0.9
147.11685	28.4
149.09592	1.7
149.13277	1.6
155.08565	2.5
157.10124	4.2
159.08069	0.7
159.11691	16.6
160.12042	0.9
161.09625	1.5
161.13266	11.2
163.11148	1.2
165.12758	0.8
169.10141	2.9
171.11690	3.9
173.09651	1.0
173.13252	12.3
175.14790	2.0
183.11664	4.8
184.12151	0.9
185.13246	1.1
187.11209	2.3
187.14807	1.9
188.13416	0.7
189.12675	1.2
193.12219	0.9
197.13255	3.8
201.12775	1.9
211.14745	1.2
213.16452	2.0
215.14317	1.6
215.17821	3.6
229.15858	1.6
229.19473	2.1
239.17955	5.1
257.19034	13.8
289.21613	100.0
290.08093	5.8
290.21973	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	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03939	4.0
55.05514	33.3
57.07082	5.1
59.05004	69.0
67.05506	12.2
69.05041	17.9
69.07079	14.5
73.06563	4.0
79.05493	12.6
81.07062	11.8
83.04966	3.9
83.08620	5.3
85.06549	100.0
85.78278	2.2
91.05492	24.1
93.07051	29.0
95.04974	3.8
95.08606	33.2
99.08107	22.0
103.05428	2.2
104.13662	2.2
105.07035	18.0
107.08580	15.7
109.06538	2.9
109.10176	7.7
111.08074	6.3
115.05467	3.4
117.07014	9.8
118.32419	2.6
119.08588	23.0
120.39713	2.0
121.06525	2.9
121.10149	9.7
123.96945	2.4
124.09468	2.3
124.92796	2.1
125.09633	26.1
129.07019	6.0
130.07761	3.0
131.08572	25.8
133.10138	19.3
135.08058	4.3
137.09605	4.2
141.07018	4.0
142.07800	12.7
143.08536	16.1
144.09341	3.3
145.10106	19.6
147.11667	9.8
149.09637	3.9
151.11197	3.1
153.07028	4.7
155.08589	6.6
156.09380	9.4
157.10136	32.2
158.10910	8.7
159.08070	2.4
159.11720	21.4
165.12798	3.4
167.08545	2.8
168.09369	7.9
169.10146	11.5
171.11725	18.7
173.13274	40.8
175.11090	3.2
177.12810	6.0
181.10117	3.5
182.10939	6.6
183.11705	36.8
184.12384	6.3
185.13242	3.3
187.11201	2.9
187.14825	3.5
189.12860	3.5
191.14343	4.9
195.11784	4.9
196.12555	2.5
197.13290	16.3
198.14149	2.7
199.14827	11.4
201.12735	8.6
205.32625	2.6
209.13243	10.6
210.14017	3.6
211.14923	5.3
213.16408	6.8
215.14359	5.1
217.15898	6.8
224.15608	6.1
229.15912	2.5
233.15408	3.2
233.77861	2.4
239.17955	21.8
251.10692	2.4
257.19073	14.6
259.16910	6.6
271.20529	12.6
289.18655	4.1
289.21664	95.8
290.22119	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	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03944	4.3
55.05516	29.8
57.07071	2.4
59.05004	69.7
67.05499	13.8
68.33553	2.2
68.49026	2.7
69.07059	9.3
71.04998	2.4
79.05496	8.8
81.07056	12.0
83.05000	3.7
83.08613	2.5
85.06543	100.0
87.75363	2.6
91.05483	18.2
93.07052	33.3
95.04962	4.1
95.08607	23.1
99.08095	20.1
105.07018	18.6
107.08630	15.9
108.09655	2.3
109.06549	3.0
109.10180	5.4
111.08073	7.9
115.05497	3.9
116.75963	2.3
117.07017	7.9
119.08578	20.0
121.10153	8.0
123.08120	3.9
123.11697	3.2
125.09627	16.8
129.06995	8.0
130.07841	2.9
131.08578	21.6
133.10118	19.1
135.08075	2.2
139.11183	4.2
141.06975	3.6
142.07750	12.1
143.08560	14.7
144.09363	4.5
145.10129	18.4
147.11679	6.6
149.09584	3.5
155.08548	6.5
156.09328	7.1
157.10124	34.5
158.10896	10.1
159.11729	18.4
161.09535	3.0
168.09326	8.1
169.10121	11.9
170.10822	2.7
171.11621	13.5
173.09760	3.6
173.13266	44.2
175.11247	2.6
175.14955	2.3
177.12717	4.5
182.10944	5.1
183.11697	40.5
184.12343	4.9
185.13319	3.4
187.11157	3.1
189.12767	7.3
191.14268	5.3
192.69981	2.4
194.10962	2.8
195.11778	4.2
197.13225	17.7
198.13959	4.2
199.14748	11.9
201.12758	14.0
205.15758	2.6
209.13240	7.6
211.14798	3.4
213.16487	5.1
215.14354	6.3
217.15884	6.6
224.15633	7.6
230.16623	3.8
231.17407	2.7
233.15385	5.5
239.17961	23.2
257.18964	13.2
259.16931	5.8
262.45160	2.5
271.20587	12.9
274.19241	3.3
289.18161	6.2
289.21619	99.9
290.21915	5.5
307.02451	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03939	5.2
55.02404	1.6
55.05274	2.6
55.05517	30.2
57.07072	5.5
59.05005	66.0
67.05506	13.9
69.07077	10.9
71.04967	1.9
73.06548	4.0
79.05509	9.1
81.07081	13.0
83.04981	2.4
83.08602	2.4
85.06547	100.0
91.05478	18.2
93.07050	21.4
95.04980	3.8
95.08614	25.5
97.06540	2.9
99.08110	22.0
105.07044	15.8
107.08600	12.2
109.06564	2.5
109.10146	5.2
111.08068	6.0
115.05453	1.8
117.07030	7.3
119.08584	18.3
121.06529	2.2
121.10150	6.7
125.09634	23.7
129.06999	5.8
131.08566	20.0
133.10144	16.3
135.08063	3.9
135.11676	2.6
137.09666	2.3
139.11192	5.2
142.07774	12.2
143.08537	11.3
144.09348	4.5
145.10114	17.0
147.11710	6.8
151.11188	3.0
154.07939	2.1
155.08569	7.1
156.09340	6.0
157.10130	32.2
158.10925	8.5
159.08076	3.5
159.11697	20.6
161.09619	4.4
167.08572	2.5
168.09344	7.7
169.10078	11.4
171.11679	14.5
172.12350	2.5
173.09694	2.6
173.13268	44.3
174.53358	1.7
175.11267	2.0
177.12752	6.4
181.10077	3.6
182.10890	4.0
183.11710	31.5
184.12492	4.4
185.13272	4.0
187.11143	2.9
187.14864	2.9
189.12756	5.3
191.14285	5.1
194.93103	2.2
196.12393	2.3
197.13214	18.3
198.14069	4.1
199.14859	13.4
201.12700	12.7
205.15950	2.3
209.13277	5.8
209.89563	1.7
210.14012	3.4
211.14853	4.2
213.16418	4.9
215.14354	5.6
217.15833	6.2
224.15591	6.2
229.15742	2.2
231.17424	4.2
233.15460	4.4
239.17978	19.5
257.19006	14.3
259.16901	4.9
266.98642	1.8
271.20529	7.9
274.19394	3.7
289.21616	95.3
290.21994	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	289.2161
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
50.90318	0.6
53.03942	2.5
55.01856	1.7
55.05513	30.6
57.03427	1.7
57.07070	3.7
59.04995	1.2
65.03928	1.3
67.05505	14.9
69.03430	4.3
69.07072	13.6
71.04991	3.4
71.06888	0.7
71.08621	1.4
71.27914	0.6
73.06548	1.8
73.45889	0.6
79.05496	25.6
81.07059	24.2
83.04970	2.0
83.08620	5.1
85.06552	4.6
88.07652	0.9
89.90839	0.6
91.05481	21.5
93.07046	29.5
94.07354	1.2
95.04974	4.5
95.08608	18.7
97.06531	2.8
97.10178	5.0
99.08096	1.3
103.05478	1.2
105.07032	42.4
107.04923	1.1
107.08595	30.2
108.08929	0.7
109.06515	10.3
109.10167	6.0
111.08094	1.8
115.05454	0.9
117.07027	7.6
119.08588	34.2
120.08887	0.8
121.06505	30.7
121.10139	10.4
122.07315	0.8
123.08070	4.1
123.11710	1.8
123.24828	0.7
125.09631	1.0
128.06239	0.9
129.07025	2.4
130.07793	0.6
131.08571	15.9
133.10130	15.5
135.08061	17.9
135.09091	0.9
135.11687	5.4
137.09596	1.3
137.13159	0.7
141.06993	1.0
143.08580	3.8
143.34106	0.6
144.09357	0.7
145.06464	0.9
145.10143	13.1
147.08064	2.6
147.11696	10.2
149.09604	3.9
149.13266	4.6
151.11165	1.1
155.08571	2.2
157.10132	2.9
159.08063	1.0
159.11702	9.3
161.09618	2.9
161.13258	11.0
163.11191	13.6
163.14850	2.6
165.12784	4.3
169.10123	1.2
171.11658	1.8
173.09598	1.9
173.13281	5.3
175.11208	2.0
175.14876	5.7
177.12750	25.2
177.16295	1.2
178.13101	1.3
179.14326	1.1
183.11758	3.7
185.13295	1.6
187.11096	1.0
187.14809	5.2
189.12756	4.0
189.16393	2.7
191.14314	5.6
197.13251	3.1
199.14758	0.7
201.12758	2.6
201.16333	1.0
203.14287	1.6
205.15857	2.6
211.14766	1.4
215.14369	2.1
219.13907	1.1
219.17432	0.9
229.15929	1.3
229.19504	0.8
233.15413	2.5
233.22649	1.7
243.21011	4.6
247.16957	2.3
253.19576	2.4
261.22137	27.1
262.22421	1.9
271.17438	1.1
271.20502	8.1
289.21622	100.0
290.21927	5.0
290.27045	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	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.36634	1.1
53.03936	2.0
53.08508	1.1
55.01874	1.6
55.05272	1.8
55.05515	23.8
55.52124	1.2
57.07069	6.7
59.15729	1.3
65.03944	2.4
67.05511	38.4
69.03410	2.5
69.07075	48.7
71.04987	3.4
71.08634	1.4
74.71582	1.3
76.29388	1.3
77.03931	1.8
79.05501	29.7
81.07062	100.0
82.07416	1.8
83.08618	14.6
85.06543	3.2
91.05483	16.8
93.07051	62.6
94.07343	1.7
95.04962	4.6
95.08614	67.0
96.08984	1.5
97.06520	4.5
97.10170	8.9
98.22623	3.0
99.08092	3.0
105.04517	1.5
105.06302	1.6
105.07034	33.0
107.08601	63.4
108.08926	1.3
109.06524	4.5
109.10164	47.0
111.08072	4.3
111.11736	7.7
116.93962	1.2
117.07019	2.9
118.06551	1.3
119.08588	22.5
121.06483	2.5
121.10147	48.9
122.10536	2.2
123.08102	2.0
123.11715	31.6
125.09660	2.7
127.11237	1.4
129.06992	1.8
131.08566	6.3
133.10147	15.0
135.11700	31.1
136.12019	1.7
137.09624	1.7
137.13235	6.5
139.11180	6.0
144.09384	1.2
145.10112	11.3
147.06361	1.7
147.07982	1.3
147.11716	15.7
149.09621	2.0
149.13260	58.4
150.13503	2.6
151.11192	2.6
157.10194	1.4
159.11687	9.8
161.09518	1.4
161.13278	14.2
162.13548	1.3
162.19679	1.2
163.11174	1.4
163.14844	15.9
165.12776	2.8
173.13269	7.5
175.14844	9.6
177.09108	1.2
177.16406	5.6
179.14334	2.6
187.14856	6.1
189.16356	8.4
191.17889	2.7
193.15927	2.2
201.16403	3.2
203.17903	4.9
215.17964	6.7
217.19492	1.6
219.17451	2.1
233.18883	2.0
241.54141	1.4
243.21005	1.7
245.22670	8.2
253.15811	1.6
271.24225	13.2
289.14487	8.3
289.18005	5.7
289.21860	2.4
289.25241	67.3
290.25546	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	290.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88943	2.8
56.96566	22.2
79.01864	3.1
79.05520	3.5
86.06715	3.6
91.05496	10.3
93.07051	13.3
97.99191	4.5
102.32159	2.9
103.05482	6.2
104.32249	3.0
105.81546	2.9
116.00288	2.8
121.06512	100.0
127.03917	4.1
134.01254	3.9
138.09152	18.0
153.01848	50.9
153.02971	5.3
196.18448	3.0
220.06462	10.3
222.04369	5.9
240.05450	5.0
246.04567	6.3
264.05539	4.8
290.10190	8.6
290.17694	5.1
290.57837	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	290.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
53.03945	0.9
53.24868	0.2
65.58258	0.2
67.05522	0.3
77.03943	0.4
79.01842	1.0
91.05481	3.2
93.07051	5.6
95.04971	0.7
101.92421	0.2
103.05481	3.6
105.04532	0.3
121.06511	100.0
122.06834	2.0
123.04443	1.4
125.02354	0.9
130.06540	1.8
131.06868	2.7
132.01158	0.3
132.04449	0.2
133.04771	0.4
139.03912	1.8
143.03374	1.8
147.04419	0.7
153.01836	18.6
153.02913	1.1
154.02174	0.4
157.07637	1.1
158.06004	1.4
158.07948	1.3
159.06354	2.9
163.03906	0.2
165.05443	0.3
169.32239	0.2
175.08716	0.4
176.09013	1.1
184.93571	0.2
198.07465	0.6
199.08737	0.3
200.08983	0.6
200.10704	0.4
201.07152	0.2
203.03340	0.4
207.03003	0.3
218.11746	0.9
231.02769	0.3
235.02310	0.3
246.09537	0.3
260.87939	0.2
262.09103	0.3
273.07568	0.9
290.10373	0.7
290.17596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02380	0.4
53.03942	0.4
53.30616	0.2
55.01661	0.2
55.01873	1.6
55.05495	0.2
55.87187	0.2
56.96555	0.4
57.42013	0.2
65.03933	0.9
67.05513	1.3
68.99786	2.1
69.03412	0.5
69.14805	0.8
69.15213	0.6
71.01352	0.2
77.03924	0.5
81.03418	0.3
83.04984	1.4
85.02907	0.7
91.05482	2.3
93.03387	1.1
95.04970	3.0
97.02891	0.4
105.03374	0.8
105.07022	0.7
107.04971	0.6
111.00790	0.5
111.04453	3.4
115.05449	1.4
116.42423	0.2
119.04092	0.3
119.04945	6.7
123.04430	69.5
124.04781	1.3
127.03922	1.7
131.04901	0.5
131.56889	0.2
133.06502	1.3
135.04419	0.9
137.02361	1.0
137.05957	0.9
139.03902	100.0
140.04259	1.8
143.04933	2.7
145.02831	0.5
147.04411	22.8
148.04747	0.5
149.05995	0.4
151.03932	2.5
151.07520	0.7
153.01810	0.3
153.05473	0.6
157.06424	0.2
159.04408	0.5
161.05980	8.1
161.62086	0.2
162.06345	0.3
163.03912	5.2
163.07549	0.2
165.05479	14.6
166.05844	0.5
169.04964	1.7
171.04373	0.4
177.05571	1.1
179.07022	2.8
181.04916	0.9
189.05463	2.0
197.16431	0.2
199.07675	0.3
203.06989	0.4
205.08661	0.7
207.06525	6.6
208.06818	0.3
231.06502	1.1
244.99670	0.4
249.07610	1.6
263.00726	0.4
273.07581	1.7
291.08621	8.2
291.11902	0.4
292.08994	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	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02374	0.4
55.01868	2.2
55.05526	0.4
60.04520	1.3
60.63987	0.4
64.62517	0.3
65.03944	1.3
67.05505	1.9
68.99800	2.1
69.03436	0.8
69.19544	2.4
72.08122	0.4
79.01862	0.3
79.05492	0.5
81.03441	0.5
81.07069	0.4
83.04984	1.9
84.08120	0.4
85.02906	0.4
86.09701	0.8
90.70531	0.3
91.04990	0.4
91.05477	2.6
93.03410	1.6
95.04974	2.9
97.02898	0.8
98.22571	0.4
100.96098	0.3
105.03389	1.3
105.07043	1.1
107.04963	1.1
111.04436	5.1
115.05463	2.1
117.07032	0.4
118.06519	0.4
119.04951	8.0
121.02849	0.8
123.04427	71.2
124.04771	1.0
127.03906	1.9
129.07068	0.3
130.06497	0.4
131.04904	0.7
132.08109	0.6
133.02893	0.5
133.06529	1.6
135.04413	1.0
135.08081	0.4
137.02344	1.4
137.06021	0.8
139.03899	100.0
140.04236	2.0
143.04906	2.9
143.08624	0.4
144.08101	0.6
145.06389	0.4
146.06029	2.3
147.04404	24.7
148.04718	0.8
151.03909	2.9
151.07506	0.7
153.00751	0.5
153.01814	2.8
153.05470	0.8
157.06438	0.3
159.04366	0.4
161.05972	7.6
163.03920	2.7
163.07603	0.7
165.04108	0.8
165.05482	13.7
167.08391	0.4
169.04991	1.7
173.12976	0.4
174.13246	0.6
177.05476	1.2
179.03432	0.6
179.07034	3.3
181.04991	0.9
188.07016	2.6
189.01897	0.6
189.05450	1.9
199.07512	0.4
205.09698	1.3
207.02953	0.7
207.06525	7.0
217.01241	0.4
219.02852	0.5
235.02342	1.7
245.04276	0.6
249.07600	1.3
273.00235	0.4
273.07532	1.1
273.10980	0.5
274.92935	0.3
291.01266	1.0
291.05377	0.6
291.08633	4.2
291.12158	0.5
292.12808	0.5
292.20178	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	291.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01868	1.9
65.03942	1.1
67.05529	1.5
68.99798	2.0
69.02985	2.2
69.03405	0.8
77.03883	0.3
83.04979	1.4
85.02906	0.5
91.05474	2.3
93.03403	1.2
95.04976	3.2
97.02898	0.9
105.03389	1.0
105.07059	0.5
107.05008	0.4
108.03969	0.3
111.00809	0.4
111.04456	3.1
115.05460	1.7
119.04962	6.6
121.02905	0.7
123.04440	71.0
124.04795	1.2
127.03947	1.9
128.04248	0.3
129.04469	0.4
131.04944	0.3
133.06497	1.1
135.04427	1.2
136.04681	0.5
137.02328	1.1
137.05942	0.9
139.03909	100.0
140.04268	2.3
143.04921	3.1
147.04419	23.9
148.04778	0.5
149.06012	0.4
151.03905	2.7
151.07552	0.5
152.08669	0.3
153.01848	0.9
153.05463	0.7
159.04445	0.4
161.05991	8.5
163.03935	3.0
165.04120	0.6
165.05495	13.0
169.04988	1.8
177.05481	1.2
179.07018	3.3
181.04907	0.8
185.05991	0.3
186.06451	0.3
189.05466	1.9
205.08559	0.5
207.06532	7.2
231.06418	0.6
249.07576	1.4
250.90973	0.3
273.07507	1.2
291.05450	0.4
291.08661	5.1
291.13269	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	291.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
55.01876	1.7
65.03947	1.1
67.05503	1.4
68.99782	1.8
69.03387	0.4
71.32717	0.5
77.03945	0.4
83.04990	1.8
85.02911	0.4
91.05478	1.5
93.03402	1.1
95.04972	2.9
97.02872	0.6
105.03377	0.4
105.07037	0.7
107.04965	0.4
111.00809	0.4
111.04438	3.0
115.05439	1.1
117.25573	0.3
119.04948	5.8
121.02950	0.3
121.06507	0.4
122.06849	0.7
123.04431	67.3
124.04804	1.5
127.03938	1.2
133.06497	0.9
135.04442	0.6
137.02328	0.8
137.05983	0.9
139.03903	100.0
140.04248	1.9
143.04932	2.6
147.04411	22.8
148.04755	0.5
149.06029	0.7
151.03957	2.4
153.01894	0.4
153.05432	0.4
161.05986	7.9
163.03909	1.8
163.07509	0.5
165.05478	14.5
169.04955	1.2
177.05472	1.1
179.07019	2.8
181.04961	0.8
189.05426	1.8
196.12209	0.4
205.08649	0.4
207.06531	6.5
249.07593	1.2
273.07556	1.3
291.08633	4.9
292.08759	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02389	0.4
53.03941	0.6
55.01868	1.9
65.03946	0.9
67.05511	1.5
68.99809	1.7
69.07092	0.3
79.01869	1.0
81.03422	0.4
83.04985	1.2
91.05489	1.8
93.03422	1.4
95.04967	2.6
97.02921	1.0
105.03380	0.6
105.07040	0.4
107.04940	0.7
109.02895	0.5
111.04436	2.7
115.05456	1.1
119.04951	6.3
120.08145	0.4
121.06503	0.8
122.06863	0.6
123.04433	65.9
124.04777	1.2
125.02340	0.4
127.03929	1.5
130.06546	0.6
133.06497	0.9
135.04419	0.5
137.02383	1.0
137.06015	0.8
139.03906	100.0
140.04243	2.8
143.03404	0.6
143.04932	2.0
147.04410	23.2
149.06018	0.4
151.03934	2.4
153.01825	6.3
153.02962	0.7
153.05481	0.8
158.06061	0.4
159.04405	0.6
159.06441	0.5
161.02367	0.4
161.05977	7.4
161.07219	0.6
163.03922	2.5
165.05495	15.5
166.05847	0.4
169.05032	0.6
177.05502	1.2
179.07033	2.9
181.04950	1.2
188.07129	0.4
189.05496	2.4
207.02991	0.6
207.06526	6.9
219.02910	0.6
235.02272	0.6
249.07680	1.3
273.00330	0.4
273.07526	1.3
291.01355	1.1
291.05280	0.7
291.08551	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03939	0.6
54.37493	0.4
55.01863	1.6
62.29633	0.5
63.70031	0.5
65.03934	1.0
67.05492	1.3
68.81536	0.6
68.99781	2.4
69.75422	2.0
83.04991	0.9
85.90661	0.5
91.05479	1.9
93.03419	0.8
95.04974	2.8
95.45188	0.6
105.03388	0.8
105.07037	0.7
107.04943	0.8
109.26115	0.5
111.04456	3.4
115.05454	1.1
116.95289	0.6
119.04945	7.0
123.04435	67.1
123.98006	0.5
124.04758	1.6
127.03883	1.2
133.06503	1.1
137.02344	1.0
137.05994	0.9
139.03906	100.0
140.04248	3.3
143.04945	2.4
147.04422	20.9
148.04741	0.8
151.03894	2.9
154.62709	0.5
159.04439	0.5
161.05980	7.6
163.03915	1.3
165.05476	15.3
169.04999	1.5
177.05463	1.3
179.07077	2.9
181.04991	0.7
189.05449	1.4
207.06560	5.9
207.76091	0.5
234.15048	0.6
246.30165	0.5
249.07597	1.8
273.07526	1.3
276.08316	0.5
291.08670	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	291.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74675	1.7
55.05511	7.5
57.03432	1.8
59.18678	1.7
62.85303	1.6
65.03928	2.0
67.05509	49.2
68.99792	2.4
69.03393	2.2
69.05158	11.6
69.05573	3.8
69.07082	5.9
71.05000	6.4
79.05495	8.6
81.03420	5.1
81.07062	100.0
83.04981	1.9
83.08643	4.5
85.06547	5.7
87.00838	17.4
91.05496	7.7
91.40107	2.1
93.07057	7.2
95.04992	3.9
95.08627	7.6
105.01881	3.9
105.07052	10.6
107.08595	5.9
109.06548	6.2
109.10189	8.1
119.04908	2.4
119.08596	8.7
121.06564	2.2
121.10179	2.2
123.11713	62.3
133.10118	17.4
135.38498	1.9
141.12744	21.9
147.04449	2.4
151.11191	31.8
151.12335	3.0
159.13855	2.9
169.12285	3.7
185.84830	1.9
187.13336	7.3
291.15784	6.3
291.19434	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	1.1
55.01686	0.2
55.01878	2.6
55.05514	8.5
57.07077	2.4
59.04992	0.6
60.04492	0.3
62.96388	0.3
63.45591	0.3
65.03929	0.6
67.05503	5.7
69.03416	1.1
69.07075	3.7
70.45750	0.7
71.04992	0.7
71.08630	1.2
79.05492	7.7
79.46195	0.2
81.03420	1.1
81.07060	8.0
83.04967	1.2
83.08626	4.1
84.72858	0.3
85.06540	0.6
88.11269	5.1
91.05481	7.6
93.06470	0.5
93.07040	8.0
94.04181	0.4
95.04971	3.0
95.08617	3.4
97.06541	0.7
97.10164	3.2
101.06030	0.2
103.05486	0.6
105.04514	0.3
105.07029	8.1
107.04956	8.0
107.08582	4.1
107.24586	0.3
108.05714	0.4
109.06492	0.9
109.10150	1.3
111.08059	0.3
113.65274	0.2
115.05444	0.6
116.06232	0.4
117.07016	3.1
119.04919	1.5
119.08582	5.7
120.05701	0.8
121.06508	1.9
121.10136	2.4
123.08088	1.4
125.09628	1.5
128.06245	0.5
128.07111	0.3
129.07027	1.9
130.07803	1.0
130.12257	0.5
131.08578	3.6
133.06483	4.0
133.10138	1.7
134.07300	1.3
135.08015	1.2
135.11691	1.2
137.09668	0.5
137.13179	0.3
142.07712	0.3
143.08571	1.6
145.06512	0.6
145.10139	2.1
147.08034	3.5
147.11667	1.0
149.09581	1.3
149.13269	0.7
153.09134	0.3
157.10158	1.0
159.11565	0.6
161.09593	1.5
161.13226	1.0
162.10419	1.1
163.11201	1.6
163.14795	0.5
165.09117	0.4
167.31735	0.3
171.11661	0.6
175.11197	1.2
175.14746	0.4
185.13274	0.5
187.11023	0.3
189.12714	0.4
203.14214	0.3
217.19518	0.6
223.13339	0.9
231.17570	0.3
231.48793	0.3
236.16446	7.6
245.19095	0.4
249.14839	2.9
261.14841	0.4
262.15668	0.5
273.18436	2.9
291.19540	100.0
292.19843	5.1
292.22800	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	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03946	1.2
53.81695	0.6
55.01867	2.4
55.05517	10.6
57.03441	1.1
57.07081	0.7
59.04981	0.9
67.05499	6.2
68.60748	0.6
69.03416	1.0
69.07072	4.9
71.05025	0.9
71.29202	0.6
79.05496	10.8
81.03408	1.1
81.07061	9.1
83.04988	1.3
83.08624	5.1
88.07608	1.4
91.05484	10.0
93.07043	7.3
94.04220	0.8
95.04964	4.8
95.08624	4.1
96.00378	0.7
97.06514	0.8
97.10177	3.7
105.03464	0.8
105.07027	9.3
107.04957	5.1
107.08622	4.3
109.06516	1.0
109.10167	1.7
112.27401	0.6
117.07028	3.6
119.04918	2.6
119.08571	7.4
121.06504	2.7
121.10184	3.0
125.09605	2.2
129.07018	1.9
130.07829	0.8
131.08580	4.3
133.06514	5.1
133.10143	1.5
134.07253	1.0
135.08055	2.8
135.11708	1.0
143.08549	1.8
145.10124	2.5
147.08069	4.6
149.09581	1.6
157.10103	1.4
159.11633	0.8
161.09581	1.2
162.10365	1.1
163.11191	2.0
165.09138	0.9
171.11685	0.9
175.11116	1.0
178.32573	0.6
214.25893	0.9
223.13338	1.2
249.14862	3.2
263.16431	1.1
273.18576	4.1
291.19550	100.0
291.95581	0.6
292.19894	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.40842	5.2
53.03949	5.8
55.01870	12.8
55.05508	25.0
57.07067	6.4
62.98268	11.1
65.03949	5.4
65.25201	4.5
67.05506	41.7
69.07069	18.1
69.09112	35.5
79.05495	34.4
81.03416	16.6
81.07061	65.3
83.08621	13.4
85.06575	11.8
89.70145	4.2
91.05483	100.0
93.07047	42.8
95.04971	22.8
95.08607	46.0
105.07037	31.8
107.04966	19.5
107.08598	23.0
109.06512	14.0
109.10169	21.3
117.07021	14.6
119.08578	27.3
121.06528	20.3
121.10139	12.0
123.08082	14.4
129.07002	7.4
131.08597	18.9
133.06520	13.8
133.10144	22.3
135.08049	18.8
135.11737	8.4
140.81366	5.0
145.10088	24.0
147.08098	9.6
147.11746	5.1
149.09645	23.1
151.11195	5.6
157.08849	4.7
157.10136	13.1
159.08060	6.4
161.09589	11.5
171.11736	5.6
175.05632	7.0
175.11188	10.0
177.09125	4.9
181.10144	4.8
182.10872	5.3
182.45491	5.0
215.08830	6.2
227.17856	5.5
245.19019	10.0
255.17520	7.9
273.18607	37.3
291.19577	78.8
291.27036	10.7
292.16953	18.4
292.19968	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03955	1.1
55.01878	1.4
55.05521	4.5
57.03423	0.6
57.07082	3.3
59.04998	2.4
65.03956	0.4
67.05508	5.7
69.03415	1.1
69.07068	1.7
70.06595	0.8
71.05002	2.0
79.05494	5.5
81.07064	7.6
83.04977	2.4
83.08633	3.0
85.06541	2.2
88.07637	1.7
91.05487	4.9
93.07055	9.4
93.72092	0.5
95.04987	3.9
95.08618	12.3
96.08926	0.6
97.06553	2.5
98.22593	1.5
102.09186	1.4
105.06387	0.8
105.07040	10.4
107.04961	3.1
107.08605	5.2
108.05788	1.3
109.06535	6.2
109.10174	5.5
111.04420	0.7
111.08086	20.6
113.09658	0.8
117.07018	2.1
119.08592	8.0
121.06492	2.9
121.10149	5.2
122.07283	1.1
123.08080	40.0
123.11742	1.3
124.08348	1.0
128.06223	1.0
129.07056	0.9
130.07823	1.0
131.08606	4.7
133.06503	4.1
133.10143	6.9
135.08061	5.0
135.11732	2.6
137.09608	2.6
139.07578	0.7
141.05499	0.7
142.07788	1.1
143.08563	2.1
144.09334	0.6
145.10139	8.8
147.08025	2.5
147.11705	5.3
149.09647	5.6
151.07555	100.0
152.07877	2.0
155.08609	0.8
155.10736	0.6
156.09363	1.7
157.10181	3.7
158.10854	0.8
159.08054	2.2
159.11668	3.1
161.09605	3.4
161.13274	1.5
163.11171	2.5
165.09122	0.9
171.11716	3.2
173.09631	1.0
173.13260	3.6
174.10393	1.9
175.11191	3.7
177.09135	1.6
177.12766	1.4
179.10672	3.7
181.12325	0.7
187.11148	1.5
187.14812	0.9
189.12773	25.8
190.13167	1.2
191.10699	1.3
191.14240	2.9
192.11470	5.9
193.11964	0.5
197.11758	9.8
197.13332	2.0
199.11145	0.6
203.14317	1.2
205.12447	0.6
207.13820	56.9
208.14174	2.7
213.16258	1.0
215.14365	2.4
217.12234	1.5
228.23233	0.8
229.23549	3.2
231.17447	1.0
233.15373	7.7
255.17513	1.7
273.18564	4.2
291.19553	27.0
291.27194	9.6
292.19913	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03949	0.6
54.14040	0.6
55.01876	1.3
55.05523	4.0
55.83802	0.5
57.03429	0.8
57.07084	2.9
59.04992	2.2
63.22891	0.5
67.02258	0.5
67.05239	0.5
67.05513	5.4
69.03420	1.3
69.07071	2.1
69.72391	2.1
70.06593	1.2
71.04995	2.8
79.05493	5.2
81.07060	7.3
83.04975	1.7
83.08635	3.7
85.06546	2.4
88.07640	1.3
91.05477	5.1
93.07054	7.6
94.91597	0.6
95.04991	3.6
95.08613	13.3
97.06500	2.7
98.23241	0.9
102.09167	1.0
105.07037	9.3
106.07378	0.5
107.04967	4.6
107.08613	5.7
108.05785	0.6
109.06523	5.6
109.10177	4.3
111.04440	0.7
111.08089	25.4
113.09622	0.6
117.07004	1.7
119.08596	7.7
121.06514	1.8
121.10157	5.2
122.07273	2.3
123.08076	39.2
123.11698	0.8
124.08365	0.5
125.06020	0.6
125.09604	0.7
128.06226	0.7
129.07007	1.3
130.07814	0.7
131.08598	5.0
133.06532	3.5
133.10130	6.7
135.08061	4.2
135.11694	3.6
137.09579	2.9
139.07585	0.7
141.05492	1.0
141.06972	0.6
142.07797	1.2
143.08578	2.2
145.10130	9.9
146.07231	0.5
146.10507	0.5
147.08073	2.9
147.11717	4.2
147.88742	0.5
149.09663	5.6
149.13338	0.6
151.07550	100.0
152.07887	2.5
155.10658	0.9
156.09355	1.5
157.10109	4.0
158.10872	0.8
159.08086	1.9
159.11697	2.3
161.09616	3.4
161.13284	1.6
163.11200	3.4
165.09140	1.0
169.12352	0.5
171.11670	2.9
173.09663	1.8
173.13287	3.2
174.10397	2.1
175.11185	3.4
177.09145	2.2
177.12744	1.0
179.10638	5.1
181.10188	0.8
181.12254	1.5
182.10886	0.6
185.13271	0.8
187.11183	2.1
187.14818	0.7
189.11029	1.3
189.12755	26.3
190.13153	0.9
191.10670	1.2
191.14352	3.6
192.11464	4.9
197.11726	17.2
197.13237	1.4
199.11244	0.6
199.66866	0.6
201.84314	0.6
203.14359	1.8
207.13817	67.2
208.14122	2.8
211.14871	0.9
213.12755	0.6
213.16354	1.7
215.14349	2.4
217.12270	3.6
229.23540	3.4
231.17471	2.1
233.15416	10.7
235.13321	2.0
246.74825	0.5
249.18471	0.8
255.17520	2.0
268.62253	0.7
273.18536	6.5
291.19550	42.0
291.27109	7.6
292.19952	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.45701	1.4
55.01880	3.6
55.05517	14.7
55.49502	1.5
57.07075	4.4
59.04991	2.1
67.05503	5.8
69.03419	2.7
69.07059	4.3
71.04993	6.8
79.05495	15.0
81.07066	14.8
83.04975	2.3
83.08625	12.9
85.06544	3.0
85.39727	1.7
91.05475	8.6
93.07059	20.9
95.04958	7.4
95.08608	19.8
97.06520	4.5
98.22575	4.7
105.07023	12.7
107.04959	17.8
107.08595	13.6
109.06528	11.0
109.10162	5.4
111.08083	43.5
113.09627	2.3
117.07038	3.1
119.08586	13.5
121.06506	3.2
121.10148	7.9
123.08075	37.3
125.09638	2.0
131.08566	6.0
133.06462	3.6
133.10132	9.2
135.08058	3.5
135.11693	3.0
137.09558	3.6
142.07787	2.7
143.08546	1.9
145.10101	8.2
147.08017	4.0
147.11714	8.0
149.09619	6.0
149.13258	3.8
151.07547	100.0
152.07864	3.8
157.10121	5.8
159.08006	3.1
161.09622	3.5
163.11244	2.8
165.09167	1.9
171.11716	3.4
173.13292	7.3
175.11197	7.9
177.09152	2.4
179.10722	4.4
180.60637	1.6
187.14742	2.1
189.12761	25.2
191.14278	13.5
192.11514	4.1
197.11682	13.9
197.13231	2.2
207.11850	2.8
207.13814	56.7
207.16884	2.6
208.14279	2.8
211.13304	2.1
215.14398	4.5
217.12247	4.0
224.43678	1.6
229.23592	2.6
229.83191	2.2
231.17397	2.2
233.15366	32.9
245.52982	1.6
249.18436	2.4
252.84555	1.7
255.17458	2.7
269.50742	1.8
273.18405	10.4
291.10175	2.6
291.19534	57.9
291.27206	4.5
292.19934	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.76427	1.1
50.82866	1.3
53.03936	4.9
55.01876	15.0
55.05514	18.7
56.05013	1.8
57.03439	6.0
57.07079	9.0
58.76665	1.1
65.03945	3.0
67.05507	37.1
69.03419	5.4
69.07070	13.2
71.04987	5.5
74.06069	1.4
78.47836	1.2
78.59482	1.3
79.05494	55.1
81.03407	5.8
81.07058	100.0
83.04983	7.1
83.08640	7.6
85.06573	1.3
88.07641	3.2
91.05483	31.3
92.30676	1.4
93.07048	29.1
95.04973	32.7
95.08603	12.8
97.06533	2.9
97.10178	6.4
103.05484	2.3
105.04549	1.3
105.07037	23.2
105.07713	0.9
107.04280	2.2
107.04961	29.2
107.08597	16.3
109.06521	81.3
109.10162	7.2
111.08064	3.7
115.05466	4.1
116.06239	2.4
117.07027	19.1
119.04922	2.9
119.08576	26.8
121.06512	14.0
121.10117	8.8
123.08076	5.7
125.09624	6.2
128.06194	2.0
129.06981	8.2
130.07744	2.1
131.08568	14.4
133.06505	6.7
133.10103	7.2
135.07072	2.6
135.08054	26.9
135.11681	4.1
137.09549	1.5
143.08554	9.3
145.06458	1.5
145.10126	16.7
147.08060	13.2
147.11697	3.6
149.09622	11.5
149.13229	1.9
157.10107	5.5
159.08018	2.2
159.11682	4.8
161.09651	11.0
163.11185	7.9
165.09113	1.7
169.10080	2.2
171.11687	3.4
173.09576	2.2
175.11215	3.1
180.10204	26.4
185.13310	2.5
189.11229	1.6
189.12733	1.7
195.11632	2.0
203.14412	1.8
217.15897	5.0
223.13155	1.9
231.13869	1.4
236.16469	15.6
237.16330	2.3
243.25241	4.8
245.18977	2.3
249.14851	5.3
255.17453	4.4
273.18469	29.5
274.19006	1.6
291.19553	59.2
291.26956	9.5
292.19962	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03944	3.1
55.01871	2.8
55.05282	2.5
55.05510	16.0
57.07080	6.2
59.05004	4.6
60.06809	2.2
67.05511	17.4
69.03410	4.4
69.07067	12.6
79.05493	25.7
81.07059	33.8
83.04977	6.9
83.08605	7.1
83.62258	1.8
91.05479	15.6
93.07050	24.4
95.04971	9.4
95.08609	22.9
97.10175	5.2
98.22638	9.0
105.07045	19.1
107.04947	4.6
107.08582	14.6
109.06513	9.0
109.10155	9.2
111.08084	47.0
117.06315	2.3
117.07001	13.3
119.04930	2.7
119.08568	22.4
119.67222	2.2
121.06517	11.0
121.10154	10.2
123.08069	31.7
123.11716	3.3
125.09639	5.4
128.06270	2.9
131.08572	8.1
133.06451	3.1
133.10123	8.0
135.08058	10.9
135.11720	6.3
143.08569	5.4
145.10127	10.2
147.08040	9.5
147.11681	6.7
149.09627	7.1
149.13264	10.0
151.07542	100.0
152.07738	2.3
157.10078	4.7
159.11722	2.2
161.09534	3.2
161.13292	2.8
163.11136	4.4
166.21278	2.1
168.42645	2.4
171.11618	3.2
173.13255	2.5
175.11180	2.9
177.09122	3.6
179.10645	2.7
189.12717	22.2
192.11389	2.3
197.11697	14.4
207.13806	56.4
208.14256	2.4
227.17992	2.7
229.60384	2.6
249.14888	3.8
272.96384	2.7
273.18497	17.9
273.25912	2.1
287.22702	2.6
291.10236	2.8
291.16290	4.6
291.19537	65.3
291.26709	11.4
292.19846	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.93955	1.1
53.03940	4.2
55.05275	1.5
55.05517	18.5
57.07076	2.5
59.04990	1.7
60.00327	1.1
67.05506	37.9
69.07071	16.5
73.06576	2.0
75.99266	1.2
77.03925	1.3
79.05497	69.4
81.06586	2.6
81.07061	52.3
83.04998	1.5
83.08629	8.7
85.06533	3.8
85.23738	1.2
91.05486	27.9
91.06018	2.6
93.07047	100.0
94.07381	1.6
95.04972	6.4
95.08611	33.5
97.06530	1.9
97.10170	4.1
98.23456	2.1
105.04517	2.5
105.07039	18.3
107.08598	59.7
108.08900	1.9
109.06522	3.5
109.10153	15.8
111.08096	1.6
117.07032	3.0
119.08566	15.1
121.06508	2.3
121.10147	47.1
122.10466	1.3
123.11704	3.7
125.09666	1.4
129.07039	1.6
131.08553	5.1
133.10150	15.9
135.08018	2.5
135.11700	55.9
137.09644	1.7
139.11201	1.5
143.08597	2.9
145.10123	5.5
147.11696	12.0
148.97636	1.2
149.09642	2.2
149.13275	31.5
157.10158	2.1
159.11678	4.3
161.13295	9.2
163.11211	1.4
163.14844	12.3
165.12819	1.8
171.11684	3.5
173.13274	3.4
175.11191	1.7
175.14833	5.7
177.12767	2.5
181.73468	1.3
185.13260	3.5
189.12714	2.0
199.14786	2.4
203.14363	1.9
213.16400	2.4
215.18007	1.4
217.19510	2.3
231.21019	1.8
235.16904	3.3
238.86148	1.3
241.19519	4.8
249.18478	2.5
259.20538	10.1
287.02008	1.3
291.20090	2.6
291.23157	61.1
292.23361	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	292.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26625	5.6
55.01856	4.7
55.05509	10.7
61.02934	28.4
63.65969	4.8
67.05515	7.6
69.12543	5.1
70.64572	7.6
73.51501	4.3
76.39661	4.7
81.07067	12.7
82.10430	4.8
89.03970	5.2
91.03951	17.3
91.05487	11.9
93.07045	18.5
105.07043	6.5
109.06538	13.8
111.08081	100.0
117.03385	23.6
119.04958	5.4
121.06528	16.0
123.04391	6.3
123.08092	9.5
137.06018	11.8
145.02873	52.8
146.03139	5.4
147.04382	20.4
149.06059	7.4
151.07608	8.4
161.16522	5.0
163.03886	5.3
165.09093	7.9
169.78833	5.7
174.04051	5.1
177.05469	77.6
191.03362	16.8
204.10315	5.6
211.09673	61.9
219.02927	13.4
229.10699	38.0
236.02696	5.1
239.09137	17.3
257.10208	98.1
259.94437	5.2
275.01941	9.3
292.11847	33.9
292.19928	12.2
293.11792	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	292.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65722	0.2
53.88246	0.3
56.37959	0.3
58.06596	3.2
59.07383	2.7
60.05370	0.4
60.05653	5.9
70.06596	12.3
70.91940	0.4
70.92279	0.4
71.37462	0.3
72.08167	0.5
81.70417	0.3
112.08733	0.7
114.89424	0.4
116.07100	4.8
118.08659	100.0
119.09007	1.5
130.09767	2.0
157.10840	0.4
158.09271	1.6
175.11913	25.8
265.61676	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	292.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08386	0.2
56.81443	0.2
58.06587	2.5
59.07382	2.3
60.05651	6.0
60.42370	0.3
70.06595	12.4
71.30069	0.4
72.08165	0.9
80.20665	0.2
89.08971	0.2
108.01555	0.3
112.08730	0.9
116.07089	5.2
116.07832	0.4
118.08657	100.0
119.09034	1.4
130.09773	2.1
143.01888	0.4
155.01886	0.4
157.10796	0.4
158.09258	1.8
161.02913	0.3
173.02924	0.6
175.11913	28.1
176.12283	0.5
185.03078	0.3
188.91568	0.4
197.29025	0.3
292.19724	0.4
293.06396	0.5
302.23816	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	292.2636
Annotation	17beta-Amino-5alpha-androstan-11beta-ol
Peak:m/z	Relative Intensity
53.03940	1.1
55.01857	0.7
55.05515	12.7
56.05034	1.0
57.03439	0.6
57.07060	1.5
65.03937	1.0
65.46034	0.4
65.75260	0.4
66.89597	0.4
67.05505	23.1
67.80406	0.4
69.07066	7.1
69.34382	2.3
70.06594	1.1
71.04976	0.6
71.07368	0.5
75.50044	0.4
79.05067	0.7
79.05497	9.4
80.05015	0.4
81.03426	1.1
81.05802	0.5
81.07058	21.0
82.06576	1.5
83.04974	1.2
83.08620	2.4
84.08149	2.7
85.06559	0.5
91.05477	4.6
93.07045	8.4
94.06580	0.9
95.04971	2.0
95.08607	15.5
96.08122	2.1
97.06528	1.5
97.08904	0.6
97.10167	0.6
98.06042	1.9
98.09715	0.5
99.08061	0.7
100.07613	1.9
105.07037	2.1
107.04963	0.7
107.08587	4.1
108.08141	2.1
109.06519	0.6
109.10149	5.2
110.09669	1.8
110.10396	0.4
111.04486	0.7
112.07611	0.6
114.09210	2.7
117.07006	0.5
119.08579	1.2
121.10116	1.8
122.09674	1.0
123.08038	0.5
123.11671	0.8
124.11264	1.5
126.09146	0.8
131.08522	0.7
133.10132	1.2
135.11714	0.9
137.09641	1.6
140.10683	2.6
145.10130	0.8
148.57005	0.4
149.13214	0.9
150.12753	0.7
150.85829	0.4
152.14342	1.3
154.12250	0.9
163.11159	0.6
164.14372	0.5
182.15388	0.7
182.59724	0.5
237.11263	0.8
247.07629	0.5
258.12189	0.5
275.20093	2.0
292.26343	100.0
293.21365	2.3
293.26694	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	292.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01879	0.7
55.05514	10.0
56.05032	1.3
57.03413	0.7
57.07071	1.1
58.06559	0.3
59.76744	0.4
60.40242	0.4
65.03938	1.2
67.05506	22.0
68.05039	0.8
69.07067	7.4
70.06573	0.8
71.07369	0.6
72.04504	0.5
79.05500	7.7
80.04990	0.4
81.07059	17.6
82.06577	1.2
82.07417	0.5
83.08611	2.4
84.08156	1.8
85.06513	0.6
85.10190	0.4
89.06029	1.2
91.05494	2.5
93.07046	6.6
94.06567	0.9
95.04953	1.1
95.08610	14.5
96.08136	1.9
96.08953	0.4
97.06535	1.7
97.10152	0.5
98.06042	1.1
99.08054	0.4
100.07618	1.6
105.07009	1.3
107.08585	3.5
108.08115	1.7
108.08830	0.4
109.06511	0.6
109.10164	3.9
110.09663	1.2
112.07635	0.7
114.09191	2.6
119.08549	0.8
121.10170	1.9
122.09641	0.7
123.10477	0.4
123.11716	0.6
124.11227	1.1
128.10748	0.4
135.11713	0.6
136.11195	0.6
140.10722	1.8
147.11674	0.4
149.13260	0.5
152.14381	0.8
154.12262	0.5
185.70381	0.4
202.22456	0.4
237.11247	0.6
274.25357	0.6
292.26346	100.0
293.21054	1.1
293.26718	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	293.0291
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
51.28276	0.4
52.29477	0.4
53.00287	0.9
63.00002	0.6
79.05494	3.3
89.03915	0.8
91.05460	0.8
92.49439	0.5
93.03390	0.7
94.08011	0.5
95.04951	0.5
99.00820	0.7
107.04956	3.2
110.19260	0.5
110.72803	0.5
117.03373	2.9
119.04940	2.0
121.02814	0.6
133.02817	0.5
135.04424	4.1
145.02843	2.1
147.04434	5.4
150.32397	0.6
151.03883	1.7
163.03905	30.0
164.04216	1.2
173.02335	1.6
175.03902	1.2
177.01833	17.3
179.03400	1.8
181.05055	0.6
191.03395	52.6
192.03757	1.9
193.04956	0.8
201.01808	2.3
203.03365	1.3
205.01326	14.4
207.02856	5.7
209.04446	0.6
219.02881	100.0
220.03284	3.8
221.04431	0.7
229.01358	0.9
237.03900	1.8
247.02376	29.8
248.02762	1.4
249.03932	2.1
265.03467	4.2
275.01871	5.6
293.02914	63.9
294.03226	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	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10398	3.7
52.97812	2.9
59.07366	3.7
60.51519	2.9
60.59927	3.0
70.06596	9.1
70.38628	5.3
70.38975	5.4
81.92458	3.2
84.77052	2.8
86.55120	3.5
101.00935	4.0
118.08656	50.4
118.09424	5.1
119.01930	5.3
119.08995	8.4
131.01875	6.6
143.01939	8.1
155.01897	17.4
161.02960	11.4
161.99588	4.9
173.03001	26.6
175.11899	11.7
176.12340	3.4
185.02898	3.5
188.38147	3.3
200.84222	3.1
203.04126	5.0
221.05029	8.1
239.06219	5.8
293.06308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45393	0.4
52.05083	0.3
53.56472	0.4
56.05030	2.4
56.41880	0.4
61.01132	1.5
61.01431	0.4
65.03937	1.2
69.22529	2.0
69.22939	0.4
75.27891	0.3
83.06100	6.7
84.04503	8.4
84.08189	0.5
86.09679	0.4
88.03986	0.8
91.05480	13.5
92.09133	0.4
101.07139	2.4
102.05531	0.6
104.05345	2.3
105.03221	0.4
107.04924	0.6
119.04945	33.4
120.05285	0.7
120.08080	1.2
129.06598	16.8
130.05005	5.8
133.22638	0.4
144.06577	1.3
147.04408	100.0
147.07596	8.7
148.04762	3.9
161.07080	4.2
162.07626	2.5
163.03917	1.8
166.08623	0.6
173.02390	0.4
175.44434	0.3
177.01807	0.7
177.10265	0.4
178.18692	0.4
180.06927	1.3
188.07149	0.6
189.07483	1.0
191.03404	4.6
201.01866	0.5
203.03413	1.2
205.01360	0.5
206.10181	0.8
219.02853	3.6
229.15492	0.4
247.02339	2.3
275.01892	2.6
293.02905	1.7
293.11841	0.5
293.15167	0.5
293.20685	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	293.1357
Annotation	TETRAHYDROTRIMETHYLHISPIDIN
Peak:m/z	Relative Intensity
53.03944	1.2
55.01857	0.4
55.05504	1.6
67.05502	0.7
69.01868	3.4
69.03439	2.2
69.07066	0.9
70.06602	1.0
71.04959	0.5
79.05495	1.7
81.03418	7.8
81.07054	1.3
82.46214	0.5
91.05480	1.3
93.07044	4.1
95.04966	1.1
95.08611	0.8
97.02882	0.6
101.06026	1.1
105.07022	0.8
107.08594	0.9
109.02895	2.4
109.06530	0.6
109.10137	0.5
119.08585	1.4
121.10143	3.4
127.03890	0.4
128.52008	0.4
129.07063	0.4
131.08543	0.6
133.10167	0.6
145.74892	0.4
149.02345	4.8
149.09598	1.3
158.10921	0.4
172.93147	0.5
175.07579	0.9
203.07124	0.6
231.13522	2.0
232.92337	0.5
233.11520	0.5
256.18945	0.4
275.12595	1.7
275.20340	0.5
293.13599	100.0
294.13980	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	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03939	1.5
53.84286	0.3
55.01860	0.4
55.05511	23.8
65.03935	1.5
67.05525	0.6
69.03410	0.5
69.12435	2.7
73.06179	0.6
73.06559	9.4
79.05466	0.4
81.03410	1.1
81.07048	1.1
86.09739	0.4
91.05476	2.9
93.03418	0.9
93.07037	1.4
95.08627	0.4
105.07017	0.7
107.08606	0.5
109.02876	0.8
109.06532	0.3
109.10133	0.8
117.07050	0.5
117.97547	0.4
119.08570	0.5
121.02859	6.2
121.03982	1.2
121.10139	0.8
123.08075	0.3
129.06999	2.7
131.08583	3.3
143.04933	1.5
147.08101	0.7
149.02341	100.0
150.02679	2.1
157.06494	0.8
159.11673	0.4
161.05991	4.7
161.07253	0.6
167.03409	1.6
175.07550	19.8
176.07883	0.9
185.05994	0.8
203.07030	25.2
204.07397	0.6
221.08075	0.5
275.12726	2.6
293.13815	3.3
293.17233	8.0
293.22064	1.7
294.17404	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	293.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78061	0.3
54.78711	0.3
55.05505	0.4
57.07061	0.3
67.05496	0.6
69.07059	0.3
70.17164	0.7
75.12389	0.3
75.19052	0.3
78.49963	0.3
79.05470	0.3
81.07047	1.4
85.06514	0.3
91.05495	0.4
93.07050	0.8
95.08599	0.8
97.06519	0.3
97.44362	0.3
98.97598	0.4
105.07047	1.1
107.08596	0.7
109.10177	0.5
113.09631	0.4
116.98624	0.4
117.07021	0.3
121.10149	0.6
123.08055	0.4
133.10143	0.4
135.08040	0.4
135.11708	0.3
147.11708	0.5
175.11282	0.4
199.52043	0.3
219.13712	0.6
237.14919	0.6
275.16098	0.7
275.19992	0.8
293.17230	100.0
294.17593	5.6
311.04636	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	293.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03400	0.4
55.05509	0.4
57.77159	0.4
64.43014	0.3
67.05483	0.5
79.05496	0.8
79.30122	0.4
81.03410	1.6
81.07042	1.0
91.05504	0.6
93.07064	1.1
95.04954	0.6
95.08602	0.9
105.07014	0.9
119.08634	0.6
119.41825	0.4
123.07917	0.5
131.08543	0.5
141.25937	0.5
151.37607	0.4
152.74130	0.4
222.06703	0.7
223.13026	3.1
247.02155	0.5
250.06175	0.6
265.08353	0.5
275.16418	0.5
278.05728	0.9
293.08240	1.7
293.17230	100.0
294.17514	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	293.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96586	0.6
51.53580	0.6
53.03945	1.3
55.05513	1.7
61.08379	0.6
66.34167	0.6
67.05510	2.0
69.03436	2.5
69.07066	1.3
70.37376	1.9
79.05479	2.1
81.03416	7.9
81.07063	2.0
83.04984	1.0
85.02882	0.7
86.09708	96.8
87.10039	1.0
91.05495	2.5
93.07053	4.5
95.04970	1.5
95.08606	1.4
97.02911	0.6
103.05477	2.6
105.07047	2.0
105.33587	0.6
107.08579	1.5
109.02891	2.8
109.10165	0.7
119.08578	1.7
120.08108	100.0
121.06522	5.6
121.08432	2.7
121.10109	2.9
121.13572	0.7
123.08060	0.6
131.04901	3.6
131.08572	0.9
135.08072	0.9
145.10194	0.9
147.11630	0.8
149.02364	2.2
149.09604	1.1
163.07565	2.8
180.10194	73.1
181.10583	1.5
181.37883	0.7
191.74794	0.7
229.26793	0.8
233.16466	2.4
253.55489	0.7
285.98889	0.7
293.13730	6.7
293.17407	10.4
293.21136	1.3
309.79056	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.86322	1.4
53.03938	6.0
55.01876	61.4
55.05513	51.4
55.21655	1.4
57.03426	5.4
57.07067	4.6
59.04996	2.3
65.03945	3.7
67.05508	65.6
69.03425	6.8
69.07070	37.4
69.91260	1.5
71.04995	7.0
71.65564	1.4
79.05497	62.8
81.03432	7.9
81.07058	69.3
82.07356	2.4
83.04980	23.6
83.08622	33.3
85.02895	1.9
85.06535	5.3
87.21178	1.4
91.05479	37.1
93.07048	40.0
94.04180	1.5
95.04971	25.8
95.08607	46.3
97.06533	42.3
97.09542	2.8
97.10165	35.0
99.08099	1.5
105.07033	38.0
107.04961	11.3
107.08595	72.9
108.08914	1.7
109.06521	18.2
109.10167	19.7
111.04359	1.7
111.08073	9.6
113.05984	2.3
115.94323	1.5
117.07030	11.5
119.06014	1.9
119.08582	21.5
121.06503	9.1
121.10149	20.3
123.04448	3.0
123.08086	9.3
123.11713	7.3
125.06009	3.5
125.09635	38.1
127.07550	2.4
129.07008	2.5
131.08554	11.7
133.10132	16.3
135.08055	8.6
135.11699	11.7
137.09607	5.2
137.13249	3.4
139.07500	1.6
139.11223	2.2
141.07057	2.2
143.08583	2.5
143.10703	3.2
145.10120	15.3
147.08087	2.6
147.11682	13.3
149.09612	15.9
149.13266	3.9
151.11208	3.9
153.09152	3.5
153.12726	4.5
155.08611	1.9
157.10172	2.9
159.11665	9.9
161.09666	3.6
161.13223	5.8
163.11200	19.0
165.12619	2.0
167.10736	2.0
169.10132	2.9
171.10179	2.6
171.11653	2.7
173.13287	5.7
175.11227	2.9
175.14728	1.6
177.12811	5.2
179.10635	2.6
181.12279	3.8
183.11711	2.2
187.11172	2.1
187.14792	1.7
189.11249	20.4
189.12814	2.8
205.12215	3.3
219.13792	2.2
219.17397	2.6
223.13304	15.6
229.19580	3.6
233.15297	1.7
237.14803	3.5
239.18011	3.2
247.20674	2.5
248.18787	1.5
251.16466	16.3
257.19012	7.0
275.20074	66.3
276.20425	2.6
293.21112	100.0
293.26462	5.1
294.21396	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.96571	0.9
53.03952	3.3
55.01880	8.0
55.05515	28.2
57.03435	6.8
57.07074	4.7
57.16451	1.1
65.03938	3.0
67.05508	44.4
69.03429	2.5
69.07070	29.4
69.55357	1.9
69.55762	3.5
71.01354	1.7
71.04994	6.1
79.05495	33.1
81.03430	8.3
81.07060	51.2
83.01340	2.3
83.04988	13.8
83.08625	13.5
85.02911	2.5
85.06539	6.2
91.05488	26.6
93.07050	41.2
93.24265	1.1
93.81758	1.0
95.04971	35.3
95.08609	42.6
96.08932	1.3
97.06534	10.7
97.10169	6.0
99.08051	1.3
105.04498	1.2
105.07039	22.3
107.04955	3.8
107.08594	25.5
109.06534	10.1
109.10162	15.5
111.04457	5.0
111.08080	9.2
111.11702	1.6
117.07011	6.6
119.08588	15.6
121.06515	10.6
121.10169	8.8
123.08095	6.1
123.11734	2.5
125.06004	3.6
125.09619	4.1
131.08589	9.3
133.10138	17.8
135.08061	9.4
135.11708	18.2
137.09605	9.2
139.07550	3.6
143.08542	1.8
145.10117	9.1
147.11664	9.2
149.09631	9.1
149.13234	2.7
151.11192	6.8
153.12735	4.9
157.10127	2.7
159.11693	4.7
161.12077	1.1
161.13322	3.1
163.11189	4.6
165.12770	3.0
171.11699	2.8
173.13203	5.2
175.11197	1.0
175.14902	1.3
177.12764	1.7
179.10623	1.1
181.04933	1.7
181.12239	1.6
183.11722	1.3
187.14859	1.9
189.11215	1.8
191.14461	1.2
209.11758	2.3
209.15306	1.6
212.88496	1.0
217.14243	2.4
219.17563	1.3
223.13263	2.7
225.80086	1.0
229.19611	2.0
237.11226	5.6
239.18002	1.3
247.20551	7.2
251.16446	5.5
257.19049	3.2
265.21704	10.4
275.20081	39.1
276.20404	1.3
277.21674	2.5
293.21118	100.0
294.21393	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	4.4
53.32554	1.2
55.01876	9.3
55.05516	22.8
56.96562	5.2
57.03445	3.5
57.07085	2.0
65.03948	2.6
65.96861	1.3
67.05512	41.0
69.03416	1.8
69.07073	21.9
71.04989	3.7
71.29334	2.1
75.07918	1.2
79.05107	0.9
79.05495	47.1
81.03433	9.6
81.07063	100.0
82.07411	2.0
83.05009	6.3
83.08624	18.5
85.06550	2.7
91.05497	31.3
93.07049	32.2
95.04981	16.4
95.08612	28.1
97.06544	10.3
97.10178	4.2
99.08101	2.4
103.05557	1.6
105.07035	34.7
107.04963	11.2
107.08599	20.6
109.06521	34.6
109.10183	12.4
111.08095	4.5
114.60648	1.2
117.07027	8.6
119.08596	22.7
119.14857	1.5
121.06512	4.8
121.10163	15.6
123.04461	1.3
123.08076	12.5
123.11720	5.8
125.09644	4.2
128.79163	1.1
129.07040	4.2
131.08583	13.6
133.06494	2.0
133.10135	20.0
135.08089	6.0
135.11722	9.7
137.09648	6.6
139.11159	1.9
143.08621	3.5
145.06528	1.7
145.10138	14.0
147.08069	1.7
147.11708	17.4
149.09625	14.9
149.13307	5.2
151.11189	7.3
155.08633	3.3
157.10164	5.4
159.08096	1.3
159.11720	8.2
161.13283	3.8
163.11195	12.2
163.14821	1.8
165.09105	1.9
165.12779	5.5
169.10193	2.3
171.11659	3.1
173.09740	3.4
173.13304	5.1
175.11234	3.8
175.14862	1.8
177.12775	3.2
179.14267	1.4
183.11671	1.8
184.62175	1.5
187.14830	2.8
191.14359	2.1
193.12263	3.3
197.13351	2.2
201.12715	1.9
207.13916	1.5
209.15164	1.5
215.17989	1.8
219.13893	1.5
223.13171	1.8
229.19582	4.7
239.17986	4.6
241.11124	4.7
247.20609	6.5
253.11131	7.4
257.18964	10.5
259.12225	5.7
271.12201	12.2
275.20084	74.5
276.20459	3.2
293.17331	19.1
293.21152	37.8
293.27838	3.0
294.21545	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.03089	3.7
55.01870	6.7
55.05515	43.1
57.07037	4.1
61.92463	4.0
63.46553	3.7
67.05502	20.3
69.07061	18.5
79.05500	51.3
80.33556	4.3
81.03427	7.4
81.07062	30.4
83.04985	5.1
83.08622	19.7
85.06538	5.1
91.05492	42.3
93.07038	26.2
94.07592	5.0
95.04951	7.6
95.08608	18.9
97.06525	9.2
97.10198	20.5
105.07053	31.4
107.04949	11.9
107.08600	100.0
109.06501	7.2
109.10155	8.1
117.07021	10.0
119.08558	23.2
121.06536	7.9
121.10136	13.6
125.09653	18.2
131.08563	9.5
133.10132	17.1
135.08125	5.9
145.10147	14.5
147.11708	15.6
149.09624	20.8
155.08450	4.7
157.10150	4.4
159.11754	5.1
161.13202	6.5
161.46417	4.3
163.11278	6.3
165.09081	4.4
173.81404	4.0
187.11159	4.7
189.00394	4.0
189.11220	18.2
196.49289	4.1
238.88800	9.4
257.19003	7.8
275.20111	81.9
293.21152	18.7
293.27646	11.8
298.40503	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.80449	1.0
51.02390	1.1
51.88416	1.1
53.03926	3.5
55.01870	10.9
55.05514	39.9
57.03433	3.2
57.07063	5.2
59.56975	1.2
65.03937	1.8
67.05507	34.8
69.03428	4.1
69.07071	20.1
69.82424	4.5
71.04981	5.4
71.08602	2.1
79.05497	35.4
81.03428	11.9
81.07066	35.7
83.04973	8.2
83.08622	20.0
85.02897	2.4
85.06534	3.2
91.05482	26.4
93.07047	28.1
95.04973	100.0
95.08611	24.7
95.62860	1.2
97.06544	6.7
97.10162	8.8
105.07037	19.9
107.04955	11.2
107.08597	27.2
107.84840	1.2
109.06507	8.3
109.10170	13.2
111.04437	2.7
111.08067	11.5
117.07032	7.8
119.08593	18.1
121.06509	5.9
121.10141	14.2
123.08087	7.5
123.11694	4.0
125.09662	10.1
129.07031	1.8
131.08571	9.2
133.10136	11.6
133.34145	1.4
135.08023	5.2
135.11696	7.1
137.05991	27.4
137.09622	13.4
139.11165	4.1
141.09116	1.5
143.08588	2.2
145.10147	12.8
145.53212	1.3
147.08046	3.2
147.11681	6.9
149.08513	2.0
149.09639	18.0
149.13284	2.1
151.11195	7.1
153.05467	1.6
155.08586	1.8
155.10661	2.7
157.10179	1.3
159.08095	1.4
159.11703	8.2
161.09590	2.4
161.13278	2.8
163.11183	17.4
165.12746	4.8
167.98073	1.2
171.11639	1.7
173.11749	2.1
173.13255	3.7
175.11150	1.9
177.12766	3.5
179.10660	1.9
179.14514	1.3
181.12218	1.4
181.45164	1.5
187.11201	4.1
189.11223	4.5
191.10649	3.1
205.12254	4.1
209.11781	6.0
223.13290	25.0
229.19424	2.2
237.11192	11.0
237.14778	2.5
239.17960	1.3
247.20587	3.1
257.18985	5.4
275.20050	39.4
275.23026	2.8
293.21057	61.2
294.21494	1.9
294.27798	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	5.7
55.01871	12.5
55.05513	34.8
57.07066	19.6
67.05500	50.7
69.07069	34.8
71.04987	7.8
71.29919	5.4
79.05502	49.0
80.94849	7.4
81.03413	9.6
81.07058	100.0
83.04965	8.8
83.08615	14.5
91.05492	37.3
93.07036	38.3
94.49166	5.4
95.04976	38.4
95.08624	36.4
95.98340	6.0
97.06538	12.5
97.10144	6.2
105.07043	41.9
107.08572	24.2
108.31348	5.8
109.06533	27.1
109.10179	23.9
111.08106	9.2
116.23058	5.1
117.07056	6.6
119.08577	33.5
121.06478	8.5
121.10144	16.8
122.03691	5.4
123.04363	5.7
123.08069	22.3
123.11689	6.3
129.07005	6.6
131.08571	10.3
133.10150	27.0
135.08057	12.2
135.11725	9.1
137.05988	93.8
137.09598	13.7
139.11133	4.9
140.28355	5.0
143.19073	5.7
145.06499	5.4
145.10175	10.2
147.11700	21.3
148.47070	5.0
149.09644	27.6
151.11256	5.7
159.11691	6.4
163.11163	12.5
173.13286	7.1
178.06314	5.2
181.05017	6.9
191.10675	10.5
209.11789	21.2
237.11201	32.9
238.88879	25.7
247.20509	7.5
257.19095	8.6
258.19196	5.2
275.16644	12.4
275.20114	49.4
293.21140	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	7.9
55.01877	10.0
55.05509	34.7
57.07090	15.5
60.79423	7.2
67.05510	44.3
69.07072	41.7
69.53329	34.0
71.04987	6.7
79.05523	48.3
80.94869	7.2
81.03429	8.4
81.07064	100.0
83.05003	11.5
83.08629	14.9
91.05513	42.6
93.07036	34.9
95.04971	31.9
95.08615	36.6
97.06551	9.5
98.22705	14.4
101.20492	6.5
105.07066	46.8
107.04987	11.5
107.08606	24.1
107.55078	6.0
109.06544	21.4
109.10175	20.8
111.04440	8.7
117.07026	8.2
119.08571	30.7
119.89887	5.8
121.10189	13.2
123.08080	15.2
125.09758	6.5
131.08578	14.8
133.10165	29.9
135.08067	11.8
135.11696	11.1
137.09695	9.5
137.86691	7.0
145.10194	12.8
147.11710	13.7
148.48271	6.5
149.09619	9.7
151.11240	12.3
157.10231	6.9
159.11696	9.6
163.11118	6.5
173.13414	8.9
175.11246	6.5
181.04898	6.3
191.10674	11.2
197.07356	8.3
209.11777	21.2
233.11662	9.9
237.11212	44.2
238.88803	34.1
275.20108	57.7
293.20993	55.8
293.52582	7.5
303.76923	6.6
305.24475	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	6.7
55.01879	10.9
55.05514	28.0
57.03436	2.0
57.07086	2.8
67.05504	48.1
69.03421	2.4
69.07069	26.3
69.87259	8.4
71.05003	3.6
75.43462	1.9
79.05495	51.8
81.03432	9.9
81.07060	64.9
82.25238	1.8
83.04989	7.3
83.08621	15.4
91.05482	35.8
93.07052	43.5
94.65830	2.0
95.04987	15.8
95.08605	30.6
97.06517	13.2
97.10195	11.2
97.10731	2.3
105.07038	30.5
107.04957	11.5
107.08593	39.7
109.06537	18.5
109.10147	16.9
111.08115	4.3
117.06982	10.0
119.08573	27.0
121.06501	5.2
121.10147	18.0
123.08086	10.2
123.11721	6.3
125.09653	11.1
129.07051	3.2
131.08585	17.9
133.10129	25.5
135.08041	6.5
135.11696	10.0
137.09630	6.1
143.08485	3.7
145.10132	12.3
147.11685	14.7
149.09601	19.4
149.13278	4.4
151.11194	14.6
155.08557	2.9
157.10217	2.7
159.08163	2.8
159.11740	12.1
161.09589	2.6
161.13237	6.5
163.11203	8.7
165.09084	10.3
165.12727	2.8
171.11697	2.5
173.09581	2.5
173.13237	7.3
175.11160	4.1
177.12769	4.7
187.11198	4.9
189.11197	4.5
191.14346	2.6
197.13257	2.8
223.13321	3.1
229.19533	6.3
233.19106	2.4
239.17783	3.7
247.20587	10.4
257.18982	14.3
270.82953	2.0
275.20065	100.0
276.20438	3.4
288.73444	2.4
293.17313	12.5
293.21149	34.7
294.21262	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.50029	1.2
51.02393	1.2
53.03952	6.4
55.01870	8.0
55.05512	19.0
57.03426	3.9
57.07066	2.9
62.40276	1.1
65.03942	2.9
67.05505	39.5
69.07067	18.3
69.21476	1.4
69.51652	6.6
71.04993	5.1
71.08632	1.6
71.90607	1.6
77.03902	1.6
79.05492	42.9
81.03418	12.0
81.07056	100.0
83.04964	5.9
83.08627	17.4
85.06517	3.2
86.91270	1.3
91.05479	21.8
93.07046	24.4
95.04976	20.0
95.08604	26.8
97.06532	8.3
97.10169	3.4
98.23371	1.4
99.08092	2.3
105.07030	23.2
105.47441	1.2
107.04945	10.6
107.08588	16.3
109.06516	45.9
109.10162	10.4
111.08067	6.9
113.09624	1.6
117.07001	7.6
119.08579	19.9
121.06512	5.5
121.10168	10.9
123.08065	12.6
123.11701	5.0
125.09589	2.5
129.06967	1.3
131.08577	11.8
133.10133	17.4
135.08072	5.3
135.11639	6.5
137.09637	4.7
143.08539	2.0
145.06464	1.7
145.10126	10.9
147.11684	17.7
149.09633	13.3
149.13246	5.7
151.11162	5.7
155.08588	2.0
157.10132	3.4
159.11671	6.5
161.09526	2.4
161.13287	5.0
163.11163	9.7
163.14871	1.7
165.12732	5.2
173.09602	3.8
173.13289	2.8
175.11142	2.6
177.12825	2.9
179.14273	2.2
183.11658	2.3
187.14841	1.7
189.12691	1.5
191.10652	1.8
193.12262	3.5
197.13139	1.9
201.12753	2.6
201.16379	1.4
207.13840	2.6
209.11595	2.3
219.17407	4.0
223.13231	2.4
229.19524	3.6
237.11203	2.3
238.88800	2.2
239.17928	3.6
247.20613	4.7
257.19025	8.7
275.20062	53.2
276.20300	2.5
293.21094	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03959	24.4
55.01867	40.1
55.05507	33.7
57.07071	13.2
67.05511	68.0
69.07062	58.8
69.35243	6.5
79.05493	51.7
81.03418	69.9
81.07060	100.0
83.04991	15.6
83.08618	19.9
85.06534	5.0
91.05491	63.2
93.07051	50.6
95.01327	11.0
95.04974	35.9
95.08617	48.6
97.06552	49.9
99.08057	6.6
105.07034	79.6
107.04969	37.9
107.08606	29.0
109.06508	12.2
109.10155	14.5
111.08048	8.2
111.44069	5.4
117.07021	6.6
119.08579	42.1
121.06561	6.4
121.10171	14.8
123.04488	6.3
123.08099	16.8
125.09653	4.9
131.08568	26.2
133.10123	50.8
135.07977	11.6
135.11720	16.6
137.09694	5.2
139.07506	8.0
141.07004	6.9
145.06535	8.9
145.10146	18.2
147.11711	18.1
149.09637	13.9
149.13312	6.5
151.11244	6.5
159.11713	17.6
161.13229	5.8
163.11211	10.4
173.13329	6.3
177.12766	12.3
179.14348	19.2
181.05045	9.1
209.11736	14.8
237.11237	27.7
257.18976	8.2
266.18872	6.3
275.20074	94.4
293.21143	64.3
293.38962	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	5.6
55.01866	9.4
55.05513	53.7
57.07079	6.0
59.05004	3.2
67.05507	37.3
69.03427	5.2
69.07061	10.9
69.53381	5.1
69.53780	9.3
71.05002	4.0
73.69424	2.3
78.54686	2.5
79.05495	80.6
81.07050	32.4
83.04990	10.0
83.08620	21.7
87.63802	2.5
91.05477	26.1
93.07052	33.7
95.04967	13.1
95.08603	11.5
97.06548	6.2
97.10178	30.9
105.07034	31.3
107.04950	45.6
107.08598	63.9
109.06560	3.8
109.10157	18.4
111.04413	5.6
111.08107	4.5
116.41044	2.9
117.07047	10.1
119.08591	18.3
121.06564	3.2
121.10110	16.2
123.08072	2.4
123.11749	5.4
125.09636	27.6
131.08594	12.4
133.10143	15.1
135.08086	8.8
135.11636	4.2
137.09625	3.7
145.10136	7.6
147.11639	13.3
149.09615	95.2
151.11234	3.1
153.05482	4.7
153.09088	6.3
155.08435	2.4
157.48102	2.6
159.11751	4.0
161.13255	5.4
163.11206	4.5
171.10176	4.4
171.11702	2.9
173.11720	3.7
173.13232	3.5
181.04948	3.2
189.11259	29.9
191.10645	4.8
197.13313	2.8
209.11783	9.4
215.17744	2.5
229.19568	6.7
233.15306	2.8
237.11209	12.9
238.88777	4.1
257.18994	22.2
275.20065	100.0
276.20523	4.1
293.21082	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.84738	0.8
52.14096	0.8
53.03942	2.4
55.01878	3.8
55.05515	13.0
57.03436	2.0
57.07081	2.8
57.07552	0.9
65.03939	0.9
67.05512	25.3
69.03426	1.5
69.07069	18.0
70.56937	1.5
71.05005	2.4
79.05496	16.6
81.03435	1.6
81.07059	30.1
81.07529	1.9
81.75101	0.8
83.04986	7.3
83.08638	4.2
85.06585	1.4
91.05486	15.8
92.05793	1.1
93.07046	22.6
95.04971	9.1
95.08607	19.0
96.08990	0.8
97.06551	3.9
97.10185	2.3
105.07029	23.4
107.04960	7.1
107.08591	14.8
109.06523	9.0
109.10165	8.3
111.08115	1.9
117.07054	5.1
119.08577	12.8
121.06521	8.7
121.10144	6.3
123.08069	4.6
123.11720	3.7
125.09666	1.3
129.07037	1.1
131.08568	12.5
133.06512	2.6
133.10132	14.8
134.10484	1.0
135.08057	5.0
135.11708	3.8
137.05865	0.8
137.09639	2.9
143.08545	2.2
145.10133	11.4
147.08102	1.7
147.11679	9.4
149.09650	5.5
149.13246	4.1
151.11188	8.1
155.08600	2.0
157.10127	1.5
159.08044	1.9
159.11740	5.5
161.09645	2.8
161.13284	3.5
163.11203	3.0
165.12732	1.3
169.10172	0.9
171.11734	2.5
173.09657	2.6
173.13316	3.5
175.11198	2.0
175.14890	1.6
177.12840	2.3
179.10748	0.9
183.11761	1.3
187.11186	2.1
191.10852	0.9
191.14351	3.2
197.13184	1.2
201.12749	2.7
207.13913	3.0
215.14423	1.2
219.13802	4.7
229.19609	2.5
231.17451	1.1
233.11783	1.5
237.11208	1.3
239.17990	3.0
247.20723	2.8
257.19034	14.8
265.21686	1.5
275.20068	100.0
276.20447	3.6
292.92459	0.9
293.21085	24.8
294.21494	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	5.3
55.01877	13.1
55.05515	66.6
56.81762	2.4
57.03437	4.5
57.07074	4.4
59.05011	3.1
67.05509	45.9
69.03416	4.8
69.07076	15.1
71.05000	4.7
71.27178	2.7
79.05494	54.0
81.03419	8.4
81.07060	38.9
83.04977	8.2
83.08625	31.4
91.05482	30.3
93.07057	34.9
95.04973	79.2
95.08606	20.8
97.06548	7.1
97.10168	25.0
105.07037	24.1
107.04974	15.7
107.08590	40.3
109.06522	8.2
109.10172	15.8
111.04433	7.9
111.08083	3.8
117.06992	9.7
119.08598	22.1
121.06517	7.7
121.10132	15.3
123.08044	6.0
125.09637	20.6
131.08583	16.6
133.10146	19.1
135.08029	8.6
135.11713	7.6
137.09654	5.7
145.10136	21.6
147.08047	4.4
147.11679	12.8
149.02362	5.3
149.09630	73.4
150.10002	3.8
152.97939	2.4
159.11696	9.1
163.11201	24.7
165.12711	3.5
173.13240	3.5
175.11247	2.6
175.73718	2.5
177.12808	3.1
181.04855	3.8
183.11703	3.0
189.11224	18.8
191.10643	3.1
193.12221	3.2
205.12315	5.0
209.11702	4.0
219.13821	2.4
223.13318	36.3
229.19482	5.7
237.11195	7.6
239.17838	4.2
247.20555	4.4
257.19019	10.5
275.20074	89.9
275.23038	5.8
276.20349	4.4
290.99652	2.4
293.18265	3.5
293.21112	100.0
294.21420	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03944	1.6
55.01863	1.0
55.05508	8.7
57.07082	5.0
58.59922	0.7
65.03939	2.4
67.05506	94.7
68.05822	1.8
69.07069	11.4
73.80572	0.7
79.05493	16.3
81.07059	100.0
82.07390	1.9
83.04975	1.5
83.08627	7.8
85.06540	2.3
87.86031	0.7
91.05487	6.2
92.59306	0.7
93.07048	14.9
93.15556	0.7
95.04981	2.2
95.08609	82.6
96.08940	2.3
97.06516	3.6
97.10174	1.9
99.08106	1.7
105.07034	5.3
107.08598	9.6
109.06548	1.5
109.10158	39.3
111.08087	0.9
111.11743	1.0
113.09626	0.8
115.07569	0.8
117.07013	2.6
119.08578	5.8
121.10143	10.4
123.08083	2.1
123.11703	22.7
125.09631	1.0
131.08586	8.1
133.10164	4.4
135.08066	1.0
135.11690	8.4
137.09654	1.8
137.13254	8.9
141.09077	1.1
145.10106	3.9
147.11702	3.8
149.09634	2.2
149.13245	6.4
151.11189	1.8
151.14871	4.4
153.12738	0.9
159.11714	4.2
161.13269	3.8
163.11211	3.2
163.14848	3.2
165.12733	1.7
165.16409	1.3
173.13252	7.1
175.14844	1.3
177.12807	3.7
177.16415	2.3
179.14299	2.2
181.04971	1.4
181.12279	0.9
187.14857	3.4
191.14333	3.5
201.16383	2.2
205.15892	1.6
209.11786	1.9
209.15404	1.6
219.17490	1.1
219.21117	1.1
223.16882	1.8
233.22823	1.2
237.11284	3.9
243.21089	7.0
254.07535	0.8
261.22079	7.7
275.20078	0.8
293.21402	1.2
293.24719	18.6
294.24948	1.3
301.57010	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	294.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70839	0.7
70.61020	0.7
70.61335	1.3
74.02460	0.7
75.58148	0.8
77.03468	0.6
77.03918	3.1
79.05511	0.9
86.09705	1.3
88.03985	2.1
89.03939	0.9
93.19677	0.8
95.04953	0.7
99.00830	4.0
103.05418	1.3
104.04972	0.8
105.03391	6.9
106.06552	0.7
107.04968	3.9
108.04467	1.9
115.91267	0.6
121.06489	1.2
122.06065	1.0
123.04409	1.3
131.04924	3.3
132.04453	2.7
133.02863	14.6
134.04480	2.1
134.05983	1.2
135.04384	2.0
144.04402	0.9
146.06044	1.1
147.04395	1.1
147.24449	0.7
148.07556	1.0
150.05469	5.6
151.03900	1.3
158.06058	0.8
159.04431	6.0
160.03931	2.2
163.03908	37.4
164.04311	1.5
174.05515	2.5
176.07005	2.0
177.03984	1.4
177.05473	22.0
178.04987	36.9
179.03452	4.3
179.04881	0.8
188.03462	1.3
190.04996	24.6
191.05237	0.7
192.03699	1.3
202.05019	2.4
203.25812	0.7
204.03072	2.3
204.06567	99.0
205.06891	3.8
206.04497	3.7
220.03232	0.9
230.04485	10.6
234.03978	79.7
235.04367	2.1
248.02913	0.9
248.05530	16.9
276.02362	0.9
276.05014	20.7
294.06076	100.0
295.06363	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	294.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38852	0.4
58.00556	0.4
65.03937	1.0
69.03419	0.7
69.47729	1.9
84.04498	1.2
84.08128	0.6
85.02903	0.8
86.09678	0.5
88.03993	0.8
91.05487	12.4
94.06570	0.4
97.02895	0.6
98.23365	0.5
108.05314	0.5
108.57030	0.4
119.04945	28.9
120.05267	0.6
120.08117	0.8
130.05002	1.4
133.02834	0.6
136.07558	1.0
146.06003	1.9
147.04414	100.0
148.04755	2.7
163.03909	2.3
164.04269	2.8
174.05606	0.6
177.01826	0.9
177.05380	0.6
178.02246	1.0
178.05031	1.5
190.04991	0.7
191.03371	1.8
192.03741	4.8
202.08852	0.4
204.06642	2.3
206.01703	1.2
207.08151	0.6
208.03224	0.5
219.02911	2.1
220.03232	8.1
234.03983	1.5
235.07433	0.4
247.02336	0.5
248.02733	2.7
248.04962	0.6
248.09258	1.3
252.10068	0.5
258.07397	0.4
266.03775	0.4
276.02264	0.8
294.03259	5.7
294.06180	2.1
294.09830	2.3
306.47168	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	294.2064
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
54.53999	0.2
55.01855	0.6
55.05512	1.3
57.07072	0.8
60.62235	0.2
66.04686	0.4
67.05504	1.2
69.07059	0.5
71.08618	0.5
71.71915	0.2
73.69814	0.2
76.76649	0.2
79.05491	1.7
80.05836	0.5
81.07066	3.1
82.07406	0.4
83.08607	0.7
84.09006	0.2
85.74131	0.2
91.05486	1.2
93.07043	0.8
94.04186	2.1
94.07363	0.3
95.04971	0.8
95.08624	0.4
97.06555	0.5
97.10133	0.3
100.07596	0.3
105.07066	0.5
107.04957	0.6
107.08590	0.7
109.06512	0.8
117.22289	0.2
119.08574	0.4
122.03656	7.6
123.03983	0.3
123.11713	2.1
133.10214	0.2
135.11653	0.3
137.05977	100.0
138.06319	2.0
141.12747	0.4
147.11699	0.4
149.09599	0.4
150.09970	0.5
158.15387	1.2
164.11554	0.4
170.15393	2.0
181.05090	0.2
192.14720	0.2
199.09593	0.2
209.11667	0.3
210.12102	0.9
237.11122	0.4
238.11589	0.8
276.20422	1.4
277.21536	0.5
294.21323	1.4
301.62701	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	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05513	0.3
57.07086	1.3
57.78518	0.3
59.73672	0.2
66.04713	0.3
67.05512	0.5
69.64047	1.1
71.00102	0.2
71.08640	1.3
79.05498	0.9
81.07060	1.4
89.85154	0.2
91.05466	0.8
92.20330	0.3
94.04189	2.6
95.04984	0.2
101.77697	0.2
107.04938	0.7
109.06521	0.7
109.10169	0.3
119.66253	0.2
122.03658	7.5
123.11662	0.2
137.05981	100.0
138.06328	2.1
141.12750	2.9
158.15424	1.3
178.44402	0.2
204.19812	0.2
219.97868	0.3
274.30695	0.2
294.20886	0.5
299.79416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2792
Annotation	Lepadiformine
Peak:m/z	Relative Intensity
55.01874	2.8
55.05516	13.2
57.03436	0.3
57.92532	0.3
58.06606	9.4
61.49158	0.4
63.83628	0.4
65.96299	0.3
67.05183	0.6
67.05511	9.1
69.07074	6.5
69.28344	1.5
69.28757	1.0
69.44360	0.4
71.04994	1.0
72.08147	1.0
79.05504	3.3
81.07059	8.8
83.04983	1.3
83.08624	8.7
91.05495	3.0
93.07047	5.5
95.04947	0.4
95.08610	11.4
95.79286	0.3
97.06503	0.9
97.10171	1.0
99.31895	0.5
105.07020	1.2
107.08592	2.9
109.10156	4.5
111.08092	0.8
119.08613	1.0
121.10133	2.0
121.44991	0.4
123.08076	0.7
133.10130	1.0
135.11656	0.7
139.11189	0.7
147.01343	0.4
147.25862	0.4
149.13255	0.7
249.91432	0.4
276.26794	1.5
294.27930	100.0
295.19382	0.4
295.28244	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	294.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42063	0.3
53.03883	0.6
55.05422	5.1
55.05717	1.5
55.31334	0.4
56.04957	0.9
58.06508	2.9
58.06821	0.6
59.29910	0.3
59.99046	0.3
65.03868	0.8
67.05405	12.1
67.05805	2.1
68.51312	0.4
70.02916	0.9
70.03250	0.4
70.06489	2.0
71.04910	0.6
72.08088	0.6
75.38432	0.3
79.05387	5.7
79.05882	0.7
80.05717	0.3
81.06950	10.1
81.07462	1.1
82.06484	1.2
83.08504	1.5
84.08040	1.6
84.08520	0.7
87.27365	0.4
91.05367	2.0
93.06934	5.4
95.04916	0.8
95.08492	7.7
96.08031	1.0
96.08729	0.3
97.10101	0.7
98.09582	2.8
99.32412	0.3
103.47810	0.4
105.06919	1.1
107.08474	3.2
107.55688	0.4
109.10152	2.1
112.11175	0.6
119.08504	0.3
121.10133	2.6
124.11221	2.1
133.10114	0.6
134.07195	0.4
135.11580	1.1
138.12703	0.4
147.11665	0.5
152.14433	0.4
161.13194	0.4
208.78981	0.4
227.10919	0.4
240.23224	2.4
252.23151	1.4
276.26871	55.5
277.27191	3.1
294.27921	100.0
295.28214	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	295.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.9
69.03432	1.4
70.02960	8.2
70.57873	1.4
72.08144	1.6
74.02431	3.5
75.14916	0.7
78.23180	0.6
79.63827	0.7
85.02911	1.0
86.02452	1.1
87.00833	1.7
88.03995	38.8
91.05450	0.9
92.05000	1.9
94.06573	42.4
95.06865	1.1
97.02918	1.4
99.00809	5.5
103.75162	0.7
104.03461	12.2
104.04996	3.3
111.07652	0.8
115.03956	1.5
116.03457	2.2
118.06550	2.1
120.04470	9.6
128.05005	1.0
130.05046	2.0
132.04477	6.0
133.04985	1.0
136.07608	2.8
137.06010	1.0
146.06013	100.0
147.06406	3.9
147.11842	0.9
150.05487	3.1
156.02882	3.7
158.04497	1.7
163.08688	1.1
163.81528	0.7
174.03989	13.2
174.05524	37.0
192.06532	5.9
196.09720	0.9
202.03487	12.6
233.09172	0.9
251.93011	0.7
277.08130	1.5
295.09445	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	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01880	3.1
55.05504	1.8
56.06255	0.6
57.03437	29.1
59.05001	5.2
61.02929	4.8
65.03921	0.6
67.05498	1.6
69.03431	100.0
70.03769	1.5
70.64700	1.4
71.01355	3.6
71.04994	2.2
73.02923	17.9
75.04483	2.0
79.05495	1.1
81.03416	14.6
83.01365	0.7
83.04984	2.5
85.02906	64.4
86.03265	0.8
87.04470	42.6
88.04005	1.0
89.20016	0.6
91.03986	1.1
91.05494	1.6
93.07030	0.8
94.06565	1.5
95.04969	2.2
95.08665	0.6
95.24274	0.7
97.02892	60.3
99.04458	10.9
101.02356	1.4
103.03933	8.5
103.05476	1.3
105.07050	0.8
109.02891	4.2
111.04463	2.4
113.02401	0.9
115.03931	60.4
116.04305	0.8
117.05515	1.4
119.04931	0.8
121.06560	1.0
123.04449	3.6
125.02369	1.2
127.03920	11.4
130.04935	0.6
131.04939	1.0
133.04967	49.1
134.05357	0.7
135.04420	1.8
135.08060	0.9
139.03888	1.5
143.03397	1.0
145.04959	21.9
145.10152	0.7
146.06041	2.7
147.04440	2.3
147.06592	0.7
149.05966	0.8
151.03896	3.2
151.07541	0.9
153.05452	0.8
157.05022	1.5
161.04468	2.8
163.06126	0.9
163.07527	0.9
165.05516	1.1
169.04982	4.9
174.05569	1.0
175.05966	0.8
187.06078	1.6
193.04994	1.3
199.06049	1.4
202.03587	1.0
211.06076	1.4
211.76804	0.6
223.06195	1.5
229.07153	1.9
241.07039	3.0
259.08185	2.9
259.12735	0.7
277.09146	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	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.1
55.01876	5.7
57.03443	25.7
59.05018	3.4
61.02927	3.4
65.03933	3.0
67.05518	2.5
69.03435	100.0
70.56679	4.4
71.01373	4.4
71.04990	2.5
73.02924	10.9
75.04494	3.3
81.03435	18.4
81.07071	3.3
83.04996	3.4
85.02912	65.6
87.04470	43.0
91.05482	2.5
95.04964	2.4
97.02896	63.6
99.04491	14.6
103.03963	9.5
105.07031	2.4
109.02895	8.1
111.04458	7.6
113.02377	2.5
115.03940	58.4
119.06066	2.1
121.06592	2.2
121.10114	2.2
123.04448	2.9
127.03920	12.4
133.04968	54.6
134.05226	1.9
145.04958	22.7
151.03963	4.3
157.04980	6.7
165.05557	4.1
167.03394	38.6
169.04961	5.7
187.06111	2.5
193.04884	2.6
211.06029	2.3
241.07066	2.0
277.09174	10.2
295.15439	2.5
295.18735	3.0
304.58942	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59631	1.3
53.03949	2.5
55.01873	3.9
55.05512	3.4
57.03438	48.2
57.07079	1.9
57.11643	1.3
59.04997	2.4
61.02937	15.1
67.05499	6.8
69.03431	60.4
69.07072	4.1
69.44558	1.4
71.01357	10.2
71.04984	3.2
71.09123	2.6
73.02919	100.0
73.99576	1.5
79.05505	3.4
80.77866	1.4
81.03416	6.2
81.07066	9.1
83.04974	3.3
83.08603	1.8
85.02907	78.2
85.54405	1.1
87.04474	6.4
91.03951	3.5
91.05480	7.7
93.07049	14.9
95.01368	1.2
95.04980	4.6
95.08596	6.6
97.02893	66.8
97.06558	2.4
97.10178	1.7
97.13535	1.2
99.04453	4.0
101.41569	1.3
103.03915	1.6
103.05463	9.1
105.06984	1.8
107.08598	3.6
109.02882	10.0
109.10162	18.1
111.04476	1.7
115.03931	58.5
115.04751	3.0
117.07025	1.4
118.06507	2.4
121.06506	56.5
121.10156	1.8
123.04408	2.3
123.08070	1.5
123.11705	2.6
125.06033	1.4
127.03909	17.9
133.04980	20.5
135.11728	1.9
135.87779	1.4
145.04944	16.8
163.06009	4.2
169.03543	1.5
176.14346	38.3
223.06030	3.1
241.07083	3.8
259.08099	1.6
260.45740	1.4
277.21561	2.8
295.10083	2.1
295.15277	4.4
295.18771	4.9
296.20099	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03941	1.7
55.01868	2.4
55.05508	1.8
57.03443	25.9
59.04998	5.2
61.02919	3.5
67.05514	1.3
69.03433	100.0
71.01356	2.9
71.04991	2.1
71.29080	0.8
73.02917	11.1
75.04462	2.6
79.05493	2.0
81.03426	14.7
82.71005	0.9
83.01373	1.0
83.04967	2.7
85.02910	59.8
87.04474	50.0
88.03980	1.8
91.03947	0.9
91.05492	1.4
95.04973	3.5
97.02898	66.2
98.03213	1.2
99.04471	11.0
103.03954	6.1
105.07037	1.3
107.04960	2.3
107.06065	0.9
108.75268	1.0
109.02887	3.5
109.06539	1.2
111.04457	3.7
115.03937	61.2
116.04316	1.0
117.05527	2.3
120.04478	0.9
123.04430	3.8
127.03913	10.8
133.04971	53.7
135.04385	1.2
137.06055	1.1
139.03925	1.6
143.03429	1.4
145.04959	20.6
145.06100	1.4
146.06015	4.8
151.03893	1.8
157.04991	1.4
161.04483	2.0
165.05486	1.5
169.04939	5.8
174.05504	1.7
181.05040	1.3
183.06566	1.3
183.16519	1.0
187.06078	1.1
193.05006	1.5
199.06108	1.2
202.03796	1.0
223.05898	1.4
229.07118	3.0
241.07079	3.6
259.08194	2.0
277.09241	4.5
298.25745	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	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03955	3.7
55.01871	3.4
57.03441	47.8
59.05000	5.6
60.43752	1.6
61.02938	9.8
61.88150	1.7
67.05500	3.6
69.03432	100.0
69.07055	2.8
69.80853	3.4
69.81248	2.3
71.01355	6.1
71.05003	3.1
73.02917	64.5
79.05498	2.4
81.03427	13.7
81.07069	4.0
83.04987	3.6
85.02909	84.4
87.04470	30.2
91.03929	2.8
91.05491	2.4
93.07037	2.3
95.04968	2.2
95.08622	3.7
97.02893	79.9
99.04437	8.7
103.03925	7.7
105.07053	2.2
109.02891	5.4
109.10175	1.6
111.04446	2.1
115.03935	71.1
119.08613	1.7
123.04459	2.2
127.03938	16.5
133.04964	45.6
133.10191	1.9
145.04970	20.8
151.03883	4.0
163.06012	2.6
169.05028	4.6
181.04881	2.7
187.06026	1.9
211.71791	1.5
223.06058	2.2
229.07207	2.3
241.07098	4.9
259.08151	3.1
277.09253	5.7
277.14133	1.9
277.21707	1.7
295.05801	3.0
295.15500	2.6
295.18741	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.41962	0.3
54.60728	0.2
56.05045	1.4
63.12127	0.2
64.82313	0.3
70.32787	0.6
79.05483	0.9
84.04508	31.4
85.02909	0.3
85.04839	0.3
85.62210	0.2
91.05494	0.7
93.07029	1.2
102.05576	0.5
103.05467	8.2
107.04963	2.4
120.08107	100.0
121.08463	2.2
130.05014	4.9
131.04915	3.6
132.03574	0.3
136.07611	0.5
139.85440	0.3
145.87529	0.3
146.05928	0.3
149.05974	2.3
150.07759	0.5
158.09634	0.3
166.08641	35.2
167.08983	0.9
184.07544	0.3
186.09155	7.4
204.10220	0.4
232.09708	4.8
233.09996	0.3
244.55461	0.2
277.11554	0.3
278.07309	0.3
278.10233	4.4
295.12869	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	295.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.8
57.03427	4.1
59.05004	33.8
67.05512	11.3
69.61756	2.6
70.68810	7.5
71.04993	70.5
83.05000	7.6
84.08144	8.5
85.02921	26.0
93.04552	2.7
95.04971	8.0
101.06018	30.6
111.04444	8.6
113.06011	100.0
114.06373	3.7
120.08121	23.6
120.37368	2.9
124.17725	3.1
129.05507	8.6
131.07043	42.9
145.52159	2.7
149.08096	39.8
186.68745	2.9
216.33440	2.9
231.67836	2.9
245.45209	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	295.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01871	3.3
57.03442	7.6
57.96032	0.6
61.02929	9.1
61.77277	0.8
69.03434	24.9
69.07075	9.1
71.04996	2.0
71.28203	0.8
73.02927	4.7
73.06556	1.0
81.03419	7.1
83.01362	1.4
84.04493	0.9
85.02910	100.0
87.04486	3.9
87.07616	1.3
87.08115	16.6
91.03976	4.9
91.05476	1.1
97.02895	22.8
99.04489	3.6
101.02382	1.2
103.04048	0.8
104.87498	0.7
107.05019	0.9
109.02867	8.1
115.03938	3.4
116.21391	0.7
121.06500	0.7
127.03928	17.2
133.05005	2.4
133.08685	0.9
135.04416	2.6
136.07478	0.7
145.02948	1.3
145.04965	21.5
146.06052	1.0
147.04434	1.1
150.07784	2.4
163.03914	7.7
163.06036	3.3
174.05534	0.7
221.03343	0.8
245.00047	0.8
268.54794	0.9
295.03375	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	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.7
57.03436	0.3
68.05023	0.3
69.03433	0.5
70.06596	1.8
70.78514	0.4
71.04999	0.3
73.02929	0.3
74.68919	0.2
81.04546	0.4
82.05338	0.3
83.06107	2.6
84.04496	0.3
84.08141	1.8
85.02914	0.4
85.08467	0.3
86.06075	1.2
86.09711	3.6
87.10038	1.5
88.44060	0.2
93.04533	2.2
95.06097	1.4
97.02899	0.6
102.05536	0.3
107.05013	0.2
110.07170	100.0
111.06834	0.4
111.07516	1.5
116.07109	2.0
119.05000	0.3
120.08126	1.1
130.05006	0.3
132.10219	0.5
134.07156	2.1
136.07559	0.9
144.49170	0.2
152.08195	43.6
153.08539	1.2
156.07716	0.4
161.07057	0.3
162.07426	0.3
167.39369	0.2
180.07684	40.3
181.08023	1.3
193.09679	0.3
198.08727	1.2
211.00946	0.3
213.08737	0.5
231.14093	0.3
247.03027	0.3
268.73578	0.2
277.14682	0.5
295.14011	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	295.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88610	0.4
55.05503	0.7
57.25760	0.4
60.96550	0.4
67.05506	1.0
67.23114	0.4
67.45106	0.5
69.03418	1.8
69.44041	0.5
73.02925	0.9
74.40460	0.4
79.05467	0.5
81.03421	1.0
81.07055	1.4
83.04999	1.0
85.02913	1.2
87.04471	0.5
88.03987	0.6
91.05467	0.5
93.07030	1.1
94.06560	0.5
95.04948	0.7
95.08614	0.8
97.02890	1.7
99.04444	0.6
104.50944	0.4
105.07035	0.7
107.08591	1.1
109.02908	0.6
109.06541	0.6
109.10176	0.6
111.08030	0.5
115.03925	1.0
118.99763	0.5
121.06507	0.6
121.10131	0.9
123.11703	0.5
133.05020	0.6
133.10123	0.6
145.04942	0.6
146.06026	1.2
147.08029	0.7
151.03893	0.9
170.47577	0.4
174.05573	0.5
190.22879	0.5
203.19963	0.4
265.17834	1.3
295.15256	10.0
295.18781	100.0
296.16086	0.7
296.19122	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03941	8.5
55.01863	6.2
55.05513	65.4
56.74753	1.8
57.07076	5.2
60.11639	1.8
65.03932	3.4
65.08237	2.0
67.05508	100.0
68.05849	2.6
69.03444	3.5
69.07069	32.8
69.65133	8.1
71.04993	5.5
71.08630	35.9
79.05491	45.1
80.63766	2.0
81.03412	22.2
81.07057	56.6
82.07375	2.9
83.04984	14.8
83.08623	30.6
85.06525	6.0
91.05488	28.8
93.07055	50.5
95.04973	19.2
95.08610	27.8
96.34309	2.1
97.06527	7.7
97.10173	44.5
97.10780	4.2
99.08092	33.2
103.12014	1.9
105.07034	21.7
107.04961	3.9
107.08590	38.6
109.06512	7.4
109.10159	31.4
111.08066	5.7
116.69037	2.1
117.07034	8.1
119.08580	13.5
121.06445	4.1
121.10151	18.1
123.08025	4.2
123.11707	3.6
125.09635	37.5
129.07056	4.1
131.08583	6.6
133.06546	2.5
133.10123	10.2
135.08035	5.4
135.11702	21.7
137.05983	31.8
137.13292	2.5
138.06328	20.6
143.08562	2.6
145.10114	7.6
147.11688	11.0
149.13263	11.8
151.11191	32.9
153.09145	4.5
159.11679	3.8
160.04404	1.9
161.09613	2.3
161.13258	13.3
163.11191	9.7
163.14784	6.8
165.12825	4.8
167.10710	3.0
171.11670	5.0
173.13249	5.0
175.14754	4.9
177.12744	3.4
179.14299	9.1
181.12215	2.9
185.13257	4.1
189.11237	20.4
189.12735	4.0
193.15823	2.9
207.13857	2.5
221.15416	4.7
231.21062	7.3
241.19511	6.2
245.62843	2.1
259.20593	12.6
277.21628	77.3
278.21948	4.0
295.22516	4.0
295.28268	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03947	5.8
53.70204	2.5
55.01878	10.6
55.05518	56.5
55.38185	2.0
57.03440	17.0
57.07074	12.4
67.05514	86.6
67.91933	2.0
68.05851	2.0
69.03423	7.2
69.07078	39.9
69.66409	8.5
71.05001	12.4
71.08640	7.6
72.91737	2.0
75.59066	2.2
79.05502	48.7
80.93591	1.9
81.03416	8.8
81.07065	100.0
83.04986	18.8
83.08620	22.4
85.06549	4.1
85.10208	4.3
91.05486	34.4
92.05874	2.9
93.07047	59.3
95.04974	22.4
95.08619	53.5
97.06538	16.7
97.10191	14.3
99.08116	6.3
105.07040	31.6
107.08609	27.1
108.08955	2.4
109.06567	9.6
109.10168	25.9
111.08111	13.3
113.09666	2.1
117.07056	5.8
119.08588	25.9
121.06547	2.8
121.10142	15.5
123.08088	6.2
123.11716	12.6
125.09621	12.9
129.06982	4.2
131.02299	2.1
131.08559	9.3
133.10138	19.7
135.08041	4.8
135.11700	12.9
137.09619	8.2
137.13310	3.1
139.11211	8.8
143.08589	4.0
145.10130	5.0
147.08084	2.5
147.11705	16.6
149.09665	3.2
149.13261	6.3
151.11203	3.6
153.09120	3.5
153.12755	6.5
155.10670	6.0
157.10100	4.5
159.11659	3.6
161.13252	9.1
163.11272	2.4
163.14873	2.6
165.09085	2.4
165.12756	7.2
167.14291	3.3
171.11711	5.8
175.11215	4.5
175.14871	4.4
175.58963	1.9
179.14316	4.6
185.13286	4.3
191.38710	2.1
193.12332	3.3
195.13846	2.6
201.49451	2.3
207.13766	5.5
211.13225	3.0
212.94794	2.3
221.15401	3.4
231.21025	3.1
231.87724	2.1
241.19547	3.2
244.68817	2.0
249.22102	3.3
259.20673	6.2
268.61630	2.3
277.21658	46.3
278.22025	2.5
295.19403	2.2
295.22653	47.6
295.28091	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	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03942	4.9
55.01871	7.2
55.05518	24.0
57.03434	8.1
57.06808	2.5
57.07072	8.3
59.04996	1.9
66.52489	1.8
67.05511	34.5
69.03432	5.1
69.07075	57.8
71.05001	6.5
71.08609	2.0
71.29031	1.8
79.05501	39.1
81.03419	9.1
81.07062	69.7
83.04996	9.5
83.08627	15.0
85.02900	3.7
85.06545	4.6
85.10194	2.4
85.19232	2.0
91.05492	17.8
93.07056	39.5
95.04962	9.8
95.08608	37.7
95.09177	3.8
97.02911	12.8
97.06538	20.0
97.10162	2.0
99.08116	2.9
103.05481	2.0
105.07033	20.6
107.08597	36.6
109.02894	2.3
109.06526	3.1
109.10159	12.0
111.08089	6.1
111.11718	6.5
117.07036	2.3
119.08595	14.4
121.06532	3.7
121.10139	13.5
123.08093	12.2
125.09599	2.1
127.03928	4.5
129.06964	3.1
131.08594	6.2
133.06506	100.0
133.07549	7.4
133.10138	11.5
134.06871	3.7
135.11699	42.1
137.09689	2.4
139.11198	3.5
139.96716	2.2
145.10170	4.1
147.11734	5.6
149.09628	3.1
149.13269	4.9
151.07567	2.9
151.11165	3.9
153.12753	25.7
157.10118	3.1
159.11670	2.5
161.13200	4.2
163.11188	5.6
165.12755	5.3
173.13261	4.0
175.14871	2.4
181.12274	2.5
194.08818	2.1
199.14754	2.6
217.14380	24.5
259.20529	5.2
277.21671	36.8
277.69061	2.5
295.17590	2.3
295.23053	21.4
296.26013	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	295.2268
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
51.81454	2.6
53.03938	2.8
53.15674	2.4
55.01871	9.9
55.05512	58.1
57.03432	10.4
57.07063	12.9
59.05004	3.0
65.03938	3.0
67.05508	86.2
69.03419	9.1
69.06731	4.0
69.07072	55.3
69.18394	7.0
69.18797	10.3
71.04987	6.2
71.08612	7.3
79.05493	61.4
81.03428	12.0
81.07059	100.0
83.04980	35.8
83.08622	24.8
85.06533	5.1
85.10178	6.3
91.05488	33.2
93.07048	67.4
95.04977	29.3
95.08610	61.5
97.04508	2.6
97.06542	20.7
97.10154	16.4
99.08089	5.6
105.07040	28.7
107.04947	3.4
107.08589	23.9
107.50185	2.1
109.06513	13.2
109.10164	25.3
111.08071	7.9
117.07034	5.9
119.08585	22.9
121.10150	30.7
123.08081	8.3
123.11708	10.7
125.09625	9.6
129.07022	5.7
131.08528	6.3
133.06509	4.7
133.10126	19.0
135.11681	13.2
137.09621	8.8
137.13229	4.8
139.11177	27.4
143.08575	3.2
145.10132	6.1
147.11696	18.3
149.13234	9.7
151.11176	6.9
153.12756	6.8
155.10579	3.8
157.10080	4.6
161.09634	3.7
161.13266	11.5
161.89830	2.5
163.11203	4.5
163.14844	6.4
165.12790	8.0
167.14183	2.2
171.11647	7.8
175.14760	5.0
177.16330	2.5
179.14319	4.6
185.13231	4.3
193.15884	5.4
207.13692	2.7
221.15408	3.2
231.21063	3.7
241.19586	3.0
249.22200	6.7
259.20532	7.4
277.21631	72.3
278.21951	4.9
283.59048	2.5
295.22662	78.8
296.23050	4.6
296.29294	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03943	7.9
55.01874	16.3
55.05513	60.5
55.83134	2.1
57.03429	8.0
57.07071	20.0
59.04993	3.7
60.80532	2.3
61.35733	1.9
61.68405	1.8
65.03941	3.0
67.05507	97.8
68.05852	2.2
69.03420	6.2
69.07071	55.2
70.45098	4.5
71.04981	8.7
71.08639	12.6
73.51683	1.8
79.05495	72.3
81.03421	14.3
81.07061	91.5
83.04985	35.3
83.08626	29.5
84.05280	2.4
85.06539	7.7
85.10217	4.3
91.05482	45.2
93.07048	89.3
95.04975	37.7
95.08604	61.3
95.31637	1.8
97.06528	17.8
97.10172	20.0
99.08102	8.5
99.25096	2.0
103.05475	4.6
105.07034	50.8
107.04942	2.8
107.08603	39.8
109.06526	11.2
109.10172	25.9
111.08072	6.7
111.11750	3.2
113.05967	2.1
113.09678	5.6
115.96740	2.5
117.07022	5.3
119.08580	27.7
121.06516	5.1
121.10140	26.7
123.08040	5.1
123.11704	10.2
125.09634	11.7
127.07570	2.9
129.06993	5.2
131.08530	12.5
133.06500	20.2
133.10130	22.8
134.07283	7.3
135.08064	29.7
135.11681	17.0
136.57433	1.8
137.09610	12.8
137.13232	2.8
139.11188	33.8
143.08676	4.7
145.10091	5.5
147.08061	2.1
147.11697	17.4
149.09642	3.3
149.13229	13.7
150.30238	1.9
151.07500	4.8
151.11157	5.8
151.14839	1.9
153.09122	1.9
153.12735	9.5
155.10629	2.1
157.10132	6.3
159.11719	5.0
161.09641	2.6
161.13298	11.7
163.11098	3.2
163.14803	6.1
165.03665	12.0
165.12727	10.4
167.05305	4.6
167.14299	3.4
171.11708	4.7
173.13216	4.5
175.11221	4.5
175.14845	7.0
179.05273	3.7
179.14330	6.2
181.12170	3.3
185.13318	4.2
189.11224	4.0
193.12234	5.7
203.14323	3.1
207.13841	7.2
211.13318	2.8
219.72984	2.1
221.15326	5.0
231.21100	4.8
241.19528	4.9
249.22179	6.8
259.20477	11.8
277.16260	7.4
277.21616	90.4
278.22009	5.4
295.17181	5.7
295.22662	100.0
295.27930	4.2
296.23056	7.4
296.29333	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	6.4
55.01874	76.0
55.05509	39.8
57.03421	3.0
57.07070	12.5
58.30724	2.3
67.05510	57.2
69.03438	3.6
69.07069	27.1
69.11180	18.8
71.04993	4.6
71.08632	35.4
74.49492	2.4
75.24514	2.2
79.05497	37.2
81.03408	10.1
81.07059	58.1
82.04209	2.2
83.04984	17.1
83.08616	30.4
85.06538	5.6
85.10159	4.6
91.05483	40.5
93.07045	45.2
95.04960	15.0
95.08607	40.0
97.06533	24.4
97.10179	4.4
99.08091	28.1
105.07033	37.3
107.04929	3.4
107.08607	23.7
109.06539	6.0
109.10157	19.8
111.08080	85.5
113.09644	7.0
117.07016	6.2
119.06114	2.3
119.08573	20.3
121.10143	17.8
123.08093	5.7
123.11722	5.0
125.09644	4.5
127.11204	4.6
129.07007	3.3
131.08533	10.1
133.06523	8.8
133.10124	34.7
134.07292	5.2
135.08051	19.9
135.11678	15.7
137.09621	3.2
139.11169	6.8
143.08655	2.9
145.10117	5.6
147.11684	20.0
149.09625	9.4
149.13246	17.5
151.07532	4.5
151.11179	32.1
159.11649	3.4
161.13232	17.7
163.11171	10.5
163.14876	3.3
165.03687	9.1
165.12741	19.7
171.11671	5.6
173.13225	6.4
175.11214	4.7
175.14842	6.7
177.12697	2.4
179.05347	2.4
179.14302	14.7
185.13297	6.4
207.13902	2.5
221.15382	2.5
231.21046	5.0
241.19551	8.7
249.22121	5.3
259.20636	15.9
274.87991	2.4
277.16541	4.0
277.21640	100.0
278.22058	5.4
295.17316	4.0
295.22647	42.5
299.27621	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	295.2269
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03949	3.0
55.01880	18.6
55.05519	29.9
57.07082	2.9
61.48338	1.8
63.46818	1.9
67.05511	55.4
69.03420	3.8
69.07072	96.0
70.54032	3.4
70.54350	3.0
71.05003	8.7
76.51601	2.2
79.05499	47.3
81.03404	3.6
81.07060	100.0
82.07382	2.3
83.04989	7.2
83.08622	16.5
85.06559	9.6
91.05470	30.8
91.05995	2.0
93.07050	46.4
95.04984	8.3
95.08609	57.7
97.06545	20.1
97.10197	7.1
99.08112	14.2
105.07048	30.0
105.07697	3.5
107.08601	35.4
109.06550	8.3
109.10165	13.8
111.04485	3.6
111.08103	7.9
115.07591	6.9
117.07027	5.8
119.08578	23.8
121.06484	2.3
121.10170	29.8
123.08070	9.4
123.11732	7.9
125.09629	30.6
129.07018	5.7
131.08595	10.8
133.10127	17.5
135.08028	3.4
135.11694	33.7
137.13313	3.0
139.11191	3.9
143.08580	5.3
145.10138	5.3
147.11690	29.6
149.13234	10.4
151.11211	4.9
157.10120	4.9
159.11707	4.1
161.13252	13.8
163.11246	4.5
163.14853	7.3
165.12828	7.7
171.11702	11.4
173.13348	3.1
175.14854	4.2
179.14407	3.9
181.12288	3.0
189.12788	5.9
195.13860	4.4
197.44191	2.1
207.13850	3.7
209.15410	2.4
235.89551	2.0
241.19580	6.2
259.20590	15.7
265.02792	2.3
277.21640	54.4
278.22141	4.8
295.22763	28.3
296.25769	14.5
299.69745	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	295.2267
Annotation	3-Oxo-2-(2-entenyl)cyclopentaneoctanoic acid
Peak:m/z	Relative Intensity
51.11080	2.1
53.03947	5.0
53.42920	1.9
55.01863	1.9
55.05505	11.1
57.07065	10.1
58.99574	2.2
65.39870	2.0
65.74307	1.8
67.05505	20.7
68.27014	1.7
69.07067	23.3
69.25363	12.4
71.08633	21.5
78.04656	1.8
79.05494	44.1
81.03410	3.2
81.07056	23.4
83.04997	5.6
83.08630	4.4
83.92971	2.1
87.02697	3.7
91.05481	22.5
93.07040	30.3
95.04980	6.7
95.08585	13.9
97.01117	3.5
97.06549	3.1
99.08090	15.8
103.05466	14.3
105.04546	2.0
105.07030	88.8
106.07848	9.4
107.04973	3.6
107.08601	16.0
107.43761	1.8
109.10185	6.5
117.06998	2.6
119.08603	4.1
121.10136	13.9
131.08504	2.1
133.06490	49.1
133.07430	3.5
133.10158	4.1
134.07289	28.0
135.08055	100.0
135.11668	14.5
136.08420	4.1
137.04247	4.5
143.08813	4.3
149.13252	3.4
151.07545	23.1
151.11189	7.4
161.13303	6.2
165.03703	45.5
166.04063	2.1
167.05226	11.2
177.12726	2.7
179.05235	11.4
179.14296	33.1
187.11063	1.8
203.14218	2.1
213.58200	1.7
235.17087	2.6
259.68661	2.4
277.16171	17.1
277.21484	13.1
295.17380	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03950	27.4
55.01876	9.4
55.05513	34.7
57.07077	16.2
65.03938	5.8
67.05507	74.3
69.03432	4.0
69.07072	64.4
69.87589	4.7
69.87985	5.9
71.04973	4.2
71.08630	9.8
79.05080	1.9
79.05495	61.8
81.03422	93.7
81.07060	79.8
83.04986	18.9
83.08604	15.7
85.06535	3.5
85.10178	4.8
91.05477	39.6
91.15461	2.7
93.07047	56.6
95.04969	54.5
95.08595	33.5
97.06555	7.2
97.10185	7.7
99.08103	4.1
103.05479	12.2
105.07034	70.6
106.07861	3.3
107.08591	35.2
109.06528	11.6
109.10159	23.8
111.08076	4.5
113.09657	3.3
117.07066	5.9
119.08594	19.0
121.06514	4.7
121.10126	13.7
123.08096	6.9
123.11708	8.6
125.09663	11.4
129.06982	3.9
131.08563	7.7
133.06485	27.1
133.10115	25.4
134.07321	15.3
135.08054	69.7
135.11705	11.3
137.09621	4.8
137.13205	3.1
139.67934	2.6
143.08784	2.9
145.10184	4.0
147.08080	2.8
147.11728	18.5
149.13309	8.1
151.07552	13.5
151.11189	64.2
151.14787	2.7
153.09135	8.2
155.18269	2.8
161.09637	4.7
161.13284	14.8
163.14810	5.3
165.03703	27.0
165.09082	4.1
165.12781	11.6
167.05255	7.6
171.11761	4.4
173.11845	3.0
175.11212	4.2
175.14854	7.7
177.12706	3.2
179.05295	8.1
179.14362	7.4
185.13211	5.3
189.12753	3.7
193.12291	3.9
207.13849	7.3
217.19572	4.4
221.15401	3.0
231.21109	11.9
241.19510	5.6
249.22173	7.7
259.20599	10.8
277.16379	9.2
277.21625	100.0
278.21921	9.6
295.17233	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	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03940	6.3
55.01875	92.2
55.05513	30.2
56.02219	2.1
57.03425	3.5
57.07082	13.6
57.91401	1.5
65.03942	2.2
67.05504	46.0
69.03424	2.5
69.07070	42.0
69.66570	5.3
71.04986	4.8
71.08633	3.5
79.05496	30.4
80.09964	2.0
81.03421	22.7
81.07059	57.1
82.07418	1.7
83.04992	18.6
83.08617	16.1
85.06538	2.8
85.10181	16.9
91.05481	30.3
93.07040	35.7
95.04966	21.4
95.08604	32.4
97.06531	100.0
97.10165	11.6
98.03838	1.8
98.06847	1.7
99.08105	2.4
105.07031	24.4
107.04967	3.2
107.08581	17.5
109.06516	6.8
109.10167	11.9
111.04467	1.9
111.08081	10.0
113.09663	11.2
116.18150	1.5
117.07010	1.9
119.08575	16.5
121.10152	15.2
123.08078	5.2
123.11725	6.1
125.09624	10.2
129.07028	3.4
131.08568	5.3
133.10110	11.0
135.08044	2.7
135.11693	9.7
137.09648	3.7
137.13312	2.2
139.11176	2.5
143.08516	3.1
145.10161	3.8
146.22879	1.6
147.11687	32.7
149.09631	6.3
149.13292	4.8
151.11156	13.5
153.12766	3.1
157.10136	2.7
159.11630	2.3
161.13246	8.9
161.84267	1.5
163.11223	9.7
163.14832	3.1
165.12750	37.4
171.11745	4.0
173.13400	2.0
175.14854	2.3
179.14285	5.9
181.15932	1.6
182.78189	2.1
185.13280	2.8
189.12775	5.1
195.13846	1.6
207.13832	4.9
224.11932	2.0
231.21114	4.0
241.19463	3.6
249.22144	9.5
259.20657	9.5
277.21637	85.3
278.22021	4.3
279.23099	2.5
295.12881	2.4
295.22702	89.5
296.22919	3.8
296.29477	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03945	23.4
55.01893	12.4
55.03250	4.9
55.05513	34.5
57.07079	22.2
60.58718	4.0
64.30186	5.1
67.05506	73.4
69.06726	8.5
69.07074	89.3
69.87411	20.8
71.08628	12.1
71.42323	4.5
79.05493	65.7
81.03419	78.7
81.07066	67.7
83.04977	21.7
83.08630	21.4
83.25851	4.6
91.05483	37.4
93.07050	54.2
95.04971	55.7
95.08622	36.7
97.06557	7.1
97.10181	13.2
98.23286	6.9
99.08128	7.9
103.05478	15.5
105.07036	94.7
107.08603	36.3
109.06502	5.3
109.10177	21.6
111.08056	9.1
117.07034	5.7
119.08609	18.1
121.10173	15.2
123.11722	6.0
125.09659	12.4
129.06993	5.9
131.08586	7.3
133.06505	41.5
133.10129	20.5
134.07320	23.8
135.08058	89.1
135.11702	15.3
136.26093	5.9
137.13327	4.7
143.08656	7.6
147.11694	10.4
149.13316	15.4
151.07556	17.4
151.11159	47.2
153.09140	5.4
153.12721	5.5
158.58882	6.3
159.11771	6.6
161.09641	5.8
161.13235	20.3
163.14841	8.5
165.03709	38.9
165.12802	9.8
167.05260	10.6
171.11623	9.2
173.13327	7.5
179.14418	7.6
185.13353	5.8
231.21156	10.2
241.19475	9.9
259.20483	8.6
277.16370	8.8
277.21646	100.0
295.17242	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03950	8.8
55.01877	41.5
55.05515	53.5
57.03450	5.8
57.07090	13.1
67.05147	5.0
67.05510	94.4
69.03427	9.2
69.07072	48.5
70.11286	4.9
71.05001	9.9
71.08633	29.4
73.32951	2.3
79.05503	54.7
79.05965	2.8
81.03430	18.4
81.07063	87.0
83.05000	18.1
83.08625	29.2
85.06556	6.6
85.10175	5.7
90.86539	2.7
91.05484	38.8
93.07045	61.7
95.04983	23.3
95.08614	60.6
97.06543	19.5
97.10171	20.7
99.04513	3.1
99.08108	28.6
103.05485	5.0
103.40475	2.5
105.04543	3.1
105.07050	46.1
106.56242	2.5
107.04959	4.8
107.08609	38.9
109.06528	9.3
109.10160	33.4
111.08083	33.3
113.09673	6.9
117.07061	5.0
119.08593	27.6
121.10152	28.9
123.08106	19.4
123.11721	10.7
125.09639	17.4
131.08594	7.5
133.06534	11.8
133.10121	22.2
134.07272	5.4
135.08061	24.0
135.11720	20.0
137.09610	21.3
139.11192	10.8
143.08627	3.7
145.10129	6.2
147.11682	23.8
149.09563	5.7
149.13268	19.1
151.07559	5.6
151.11171	21.9
153.12743	2.8
153.31372	2.6
157.10228	3.7
159.11716	6.1
161.13255	15.1
163.11194	12.7
163.14792	4.0
165.03722	10.5
165.09187	4.7
165.12746	18.7
171.11729	7.0
173.11664	3.4
173.13232	4.8
175.11220	3.3
175.14847	8.8
179.14355	11.6
181.12253	3.5
185.13284	4.8
189.11263	9.6
193.12225	4.1
193.15826	3.2
207.08109	5.6
211.73225	2.7
217.26025	2.9
221.15526	3.1
231.21097	6.5
235.07430	3.1
241.19569	9.5
249.22139	16.0
249.75320	2.5
259.20642	11.7
263.07211	5.0
277.16431	4.2
277.21631	100.0
278.22067	5.3
295.09833	12.7
295.22653	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01865	13.7
55.05515	100.0
67.05508	50.3
69.04218	7.0
69.07069	19.9
69.25439	7.1
69.79950	8.3
70.14272	26.0
71.04995	8.7
71.08691	8.3
71.21823	6.9
79.05494	27.2
81.03434	9.0
81.07055	64.8
83.04961	11.0
83.08614	96.6
91.05495	33.1
93.07043	26.4
95.08611	24.5
97.06511	9.8
103.32556	8.8
105.07018	32.2
107.08603	18.7
109.06509	11.9
109.10151	11.3
111.08091	22.0
115.80815	7.7
119.08603	18.3
121.10134	13.1
129.07043	11.6
133.10129	41.0
135.11729	10.8
137.06004	17.7
138.06326	10.0
139.11176	9.7
139.38266	7.1
145.10086	8.9
147.11670	30.2
149.09619	11.5
149.13232	19.8
151.11195	13.3
157.10117	15.0
159.11642	9.1
160.43294	7.0
161.13292	12.1
165.12782	18.6
167.14363	9.5
175.11220	6.3
198.02098	8.2
244.23302	7.3
257.53818	7.9
259.20450	8.9
277.21585	33.2
295.22623	19.3
296.25635	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	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01878	69.5
55.05516	60.7
60.46568	12.0
67.05510	65.4
69.07066	44.4
69.85868	11.1
71.04975	14.3
71.08638	13.2
79.05505	39.4
81.07053	66.6
83.04994	25.2
83.08630	37.4
91.05492	31.4
93.07063	45.5
95.04971	18.7
95.08632	50.2
97.06544	28.7
97.10164	18.0
99.08102	18.1
104.93948	14.0
105.07020	29.7
107.08592	38.0
109.10148	22.8
111.08088	83.1
119.08574	18.8
121.10173	32.1
125.09677	14.0
133.10173	23.7
137.40471	13.9
147.11667	18.4
151.11133	12.3
165.12796	31.3
179.72520	11.1
250.88234	11.9
277.21640	100.0
278.22086	13.2
295.22565	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01863	6.2
55.05513	65.4
56.74753	1.8
57.07076	5.2
60.11639	1.8
65.03932	3.4
65.08237	2.0
67.05508	100.0
68.05849	2.6
69.03444	3.5
69.07069	32.8
69.65133	8.1
71.04993	5.5
71.08630	35.9
79.05491	45.1
80.63766	2.0
81.03412	22.2
81.07057	56.6
82.07375	2.9
83.04984	14.8
83.08623	30.6
85.06525	6.0
91.05488	28.8
93.07055	50.5
95.04973	19.2
95.08610	27.8
96.34309	2.1
97.06527	7.7
97.10173	44.5
97.10780	4.2
99.08092	33.2
103.12014	1.9
105.07034	21.7
107.04961	3.9
107.08590	38.6
109.06512	7.4
109.10159	31.4
111.08066	5.7
116.69037	2.1
117.07034	8.1
119.08580	13.5
121.06445	4.1
121.10151	18.1
123.08025	4.2
123.11707	3.6
125.09635	37.5
129.07056	4.1
131.08583	6.6
133.06546	2.5
133.10123	10.2
135.08035	5.4
135.11702	21.7
137.05983	31.8
137.13292	2.5
138.06328	20.6
143.08562	2.6
145.10114	7.6
147.11688	11.0
149.13263	11.8
151.11191	32.9
153.09145	4.5
159.11679	3.8
160.04404	1.9
161.09613	2.3
161.13258	13.3
163.11191	9.7
163.14784	6.8
165.12825	4.8
167.10710	3.0
171.11670	5.0
173.13249	5.0
175.14754	4.9
177.12744	3.4
179.14299	9.1
181.12215	2.9
185.13257	4.1
189.11237	20.4
189.12735	4.0
193.15823	2.9
207.13857	2.5
221.15416	4.7
231.21062	7.3
241.19511	6.2
245.62843	2.1
259.20593	12.6
277.21628	77.3
278.21948	4.0
295.22516	4.0
295.28268	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	296.066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.8
60.08157	3.7
65.87751	0.6
71.07385	3.4
71.20308	0.8
86.09708	23.8
97.18853	0.5
104.10747	100.0
105.11081	2.0
112.21092	0.5
134.05431	0.6
168.73517	0.7
236.99260	28.5
296.06598	24.9
297.06744	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	296.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03952	2.1
69.03425	3.5
69.30641	0.4
70.06576	0.5
70.77605	0.6
79.01862	1.9
79.05481	1.5
81.03426	13.4
82.64086	0.4
84.04517	0.6
84.88900	0.3
85.02917	0.7
86.09704	3.5
87.00890	0.4
87.10046	1.6
89.03919	8.3
97.02892	2.0
99.04449	1.1
107.01337	0.4
107.04968	2.4
109.02890	5.2
117.03384	10.3
119.39946	0.4
120.08143	0.7
125.02337	1.4
127.03869	1.9
135.04424	21.3
136.04787	0.5
137.05994	0.4
143.03395	3.0
145.02856	13.0
146.03203	0.4
152.04295	0.5
153.01840	34.9
153.02928	2.2
154.04771	0.7
163.03912	100.0
164.04251	3.2
171.02884	1.1
182.07979	0.5
183.08321	0.9
185.36398	0.4
186.84947	0.4
205.04970	0.5
237.03796	0.5
296.12988	3.5
296.15741	0.8
296.18637	0.9
297.02695	0.5
297.06079	8.9
297.09149	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	296.2011
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
53.03942	1.0
55.05517	4.1
57.03437	1.6
57.07079	2.8
67.05502	2.8
68.09725	0.6
69.07079	1.5
77.04060	0.8
79.05505	8.7
80.05038	0.8
81.07054	2.2
83.08619	1.8
91.05485	4.2
93.07063	3.1
94.06584	3.1
95.04971	1.5
95.08612	2.0
103.05479	4.9
103.31293	0.7
104.06248	1.1
105.07040	100.0
106.06691	0.8
106.07386	2.9
107.08602	2.2
109.10193	0.8
115.66837	0.8
117.07040	2.1
118.06548	0.8
119.08555	1.6
120.08111	2.9
122.09634	0.8
131.08594	0.9
134.09660	8.2
135.08058	1.3
135.10565	1.3
135.11687	1.8
145.32208	0.7
148.11221	8.1
149.13177	0.7
150.09180	1.5
171.07585	0.7
182.09708	4.3
183.10417	0.8
184.11255	3.1
186.12799	2.2
196.11209	1.0
198.12836	4.6
204.13872	1.0
210.12820	1.8
212.14343	1.5
224.14394	2.7
225.15170	1.0
226.15926	11.3
238.15794	1.3
240.17426	3.6
242.15448	5.9
243.49564	0.7
254.15443	15.1
255.15744	0.7
268.20715	1.4
278.19067	2.1
279.23270	1.5
296.20114	86.5
297.20483	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	296.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
55.77267	0.4
70.54469	0.6
70.54796	0.6
77.03924	0.6
77.47835	0.4
79.05484	0.5
81.07039	0.4
83.31454	0.4
91.05487	12.2
93.07044	20.6
94.07319	0.6
95.04963	3.9
103.05467	12.7
105.04551	1.5
105.07047	0.6
112.30783	0.4
118.06543	5.3
121.06506	100.0
122.06823	1.9
132.08102	1.3
133.08928	0.6
146.09656	1.6
153.01830	0.8
165.95174	0.4
176.14346	67.7
177.14690	2.9
296.20081	82.2
297.20419	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	296.2011
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02382	0.5
53.03954	2.3
55.01869	0.5
57.03436	0.2
64.82088	0.2
65.03925	0.4
69.23863	1.3
77.03941	0.5
79.05500	0.4
80.64577	0.2
81.03442	0.4
91.05488	11.7
92.05794	0.3
93.07053	20.3
94.07389	0.4
94.26602	0.2
95.04970	3.4
103.05475	15.3
104.05807	0.5
105.04496	1.5
105.07088	0.3
118.06551	5.2
121.06514	100.0
122.06841	2.8
132.08096	1.8
133.08916	1.0
134.09674	0.5
146.09697	1.6
147.10423	0.4
153.01833	0.7
159.26347	0.2
160.11191	0.2
176.14360	66.1
177.14705	2.5
208.51605	0.2
218.44466	0.2
296.20105	84.2
297.20435	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	296.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05515	14.5
56.05032	3.1
57.07076	1.2
58.02198	0.5
58.06608	2.4
67.05143	0.6
67.05506	11.7
69.06735	0.7
69.07075	9.0
70.06590	5.3
71.04993	0.8
71.76809	0.6
72.08151	1.5
73.86096	0.5
75.80075	0.4
77.44334	0.4
79.05486	2.2
81.07057	12.0
83.08625	6.6
84.08146	4.1
85.32307	0.5
91.05476	1.5
93.07049	2.3
95.08612	9.8
97.10155	2.0
98.09701	6.1
98.22574	1.5
107.08607	0.9
109.10139	5.5
121.10133	1.2
123.11720	1.1
185.13022	0.5
250.25310	2.3
278.21988	0.8
278.25403	1.2
278.28424	42.8
279.28748	2.4
296.29483	100.0
297.29834	5.6
299.06607	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	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
50.07386	0.2
50.90554	0.3
51.02390	0.8
53.03948	5.0
55.01848	0.3
57.03430	0.5
58.97112	0.3
67.05515	0.5
69.03433	10.7
71.04991	1.0
71.17446	0.2
71.17879	0.2
79.01859	5.2
81.03421	39.5
81.07061	0.5
82.03770	0.8
85.02911	0.8
91.05489	0.4
95.08601	0.3
95.76165	0.2
97.02900	6.4
99.04459	2.2
103.05479	0.3
106.98584	0.3
107.01313	2.0
109.02885	14.3
110.03255	0.4
119.05013	0.3
121.06539	1.1
125.02339	3.0
127.03921	7.0
131.04941	0.5
139.03970	0.3
143.03406	7.4
147.04417	0.6
151.03970	0.3
152.05672	0.6
152.07063	0.3
153.01834	100.0
153.02904	6.1
154.02151	2.3
159.04434	0.7
163.03952	0.6
171.02878	3.2
177.05409	0.6
179.03419	1.0
179.07063	0.3
180.06584	0.4
181.01306	0.6
183.02907	0.6
191.03380	1.1
193.04961	0.4
195.02861	0.4
205.04961	1.0
207.02913	0.8
215.03348	0.3
219.02937	0.3
221.04512	0.3
223.02324	0.4
233.04385	1.5
237.03998	0.4
242.88356	0.3
267.05087	0.4
297.06070	21.7
298.06424	0.7
298.10532	0.3
299.06207	0.5
319.58810	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	297.0605
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.02383	0.7
51.86039	0.3
53.00327	0.3
53.03946	6.5
55.01875	0.3
57.03450	0.4
67.66308	0.3
69.03432	10.3
69.39504	1.6
71.04993	1.5
77.03547	0.3
79.01858	5.8
79.55350	0.2
81.03420	53.6
82.03773	0.8
85.02895	0.9
97.02892	5.7
98.23327	0.5
99.04467	2.4
107.01323	2.4
109.02884	19.8
110.03215	0.5
123.00843	0.4
125.02351	3.8
127.03917	5.7
127.07743	0.3
131.04936	0.4
135.04384	0.2
136.06197	0.7
143.03407	7.4
147.04460	0.3
149.87610	0.3
153.01834	100.0
153.02910	6.3
154.02187	2.7
163.03893	0.4
170.02110	0.5
171.02896	3.8
179.03448	0.4
181.01285	0.6
191.03442	0.4
205.05032	0.9
207.02979	0.6
223.02390	0.3
233.04523	0.9
237.04095	0.4
297.06058	30.1
298.06366	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	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03945	4.5
55.01865	0.7
57.02293	0.3
68.99773	0.4
69.03429	14.8
71.04990	1.4
79.01410	0.4
79.01852	5.4
79.05500	0.6
81.03416	42.1
81.07071	0.5
82.03764	0.6
84.98118	0.3
85.02901	1.1
87.00821	0.4
91.05470	1.4
93.07033	1.2
95.08643	0.4
97.02901	4.1
99.04434	2.5
103.05449	1.2
105.07041	0.7
107.01294	2.0
107.04935	0.7
109.02879	16.0
115.05500	0.4
119.04999	0.5
121.06509	4.6
123.00818	0.3
123.04462	0.5
125.02341	3.6
127.03914	7.4
129.06981	0.4
131.04916	1.1
135.04388	0.6
137.02403	0.8
143.03398	6.5
147.04396	0.8
151.03839	0.6
153.01825	100.0
153.02876	5.3
154.02107	2.1
157.06432	0.6
158.07283	0.9
159.04410	1.7
163.03920	0.7
165.01866	0.4
165.05498	0.3
168.05743	0.9
170.02142	0.4
171.02913	2.9
175.03888	0.7
177.05434	1.0
178.04973	3.7
179.03395	1.5
181.01326	1.4
183.02911	0.8
185.05949	0.8
186.06804	1.7
187.03893	0.7
191.03302	1.7
193.04977	1.0
194.07237	0.7
195.02870	0.7
196.05263	0.7
197.05992	0.4
205.04919	2.5
205.06586	0.4
207.02892	2.2
213.05469	1.7
214.06288	0.4
215.03340	0.6
219.03058	0.4
221.04375	0.8
223.02417	0.7
224.04636	0.5
225.05536	0.7
233.04391	2.8
237.03902	0.9
237.09125	0.7
241.04964	0.9
242.05766	0.8
249.04012	0.7
261.04025	0.8
265.08630	1.1
267.05048	1.2
269.04459	1.7
270.05176	6.0
297.03574	7.2
297.06085	18.9
297.10788	1.8
297.20343	1.1
298.04544	6.4
298.10669	3.9
299.06161	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	297.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03939	0.7
55.01869	0.6
57.03423	0.4
58.45864	0.3
61.02903	0.6
67.05499	0.5
69.03430	24.5
70.03779	0.4
70.04469	0.6
70.04862	0.6
79.01851	4.4
79.05497	0.8
81.03425	4.3
81.07069	0.6
83.06060	0.5
84.04500	1.5
85.02905	0.5
91.05465	0.9
92.28147	0.3
93.07035	1.3
95.04992	0.3
95.08595	0.5
97.02885	3.5
98.23206	0.4
99.04445	1.5
103.05456	0.7
105.07027	1.2
107.01297	1.1
107.04945	0.6
107.08582	0.8
109.02872	2.2
109.06543	0.3
115.05444	0.4
117.16636	0.3
119.04929	0.7
119.08568	0.4
121.06558	0.4
121.10131	0.5
122.13559	0.3
123.04430	0.4
125.02346	3.0
127.03915	11.5
129.06590	0.4
130.04996	2.4
131.04918	3.1
133.02846	1.0
133.10164	0.6
135.04405	0.3
135.11665	0.6
136.06183	0.4
137.02353	0.5
139.03931	0.6
143.03394	6.1
147.04382	1.8
147.07674	0.8
147.09158	0.5
149.05969	0.4
151.03917	1.0
151.11179	0.6
151.16991	0.3
153.01830	100.0
153.02858	5.0
154.02141	2.2
154.72253	0.3
159.04408	3.9
161.05977	0.5
163.03922	1.8
163.08656	0.5
165.01819	1.1
165.05446	0.6
171.02893	0.4
175.03975	1.4
175.08687	1.0
177.01883	0.5
177.05493	1.6
179.03397	3.8
179.07011	0.6
181.01331	3.8
181.04929	0.4
183.02917	1.9
187.03915	2.3
191.03427	3.6
193.01335	0.4
193.04982	1.9
195.02885	1.6
197.00891	0.3
197.04568	0.3
203.03453	0.4
205.04953	7.1
207.02904	4.6
209.00803	0.8
209.04485	1.3
211.02344	0.7
215.03423	1.4
217.04781	0.3
219.02858	1.0
221.04402	1.4
223.02393	1.5
223.06018	0.6
231.02916	0.3
233.04449	6.3
235.02448	0.5
237.04021	2.1
238.17928	0.3
243.02724	0.4
249.03955	1.2
251.05533	1.5
261.04034	2.2
267.05029	1.7
279.04913	2.0
297.06036	9.5
297.14322	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	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.0
52.82959	2.0
53.03948	12.8
54.04155	1.6
55.01879	9.2
55.05513	13.1
57.03445	6.8
57.07070	2.7
59.05011	1.9
59.86549	2.2
60.04528	2.8
61.02930	9.3
65.03954	2.9
67.05504	15.4
68.86858	2.3
69.03436	25.6
69.07067	9.5
71.01348	2.7
71.05000	26.5
71.28408	2.4
73.02924	8.3
73.96587	2.0
79.01874	3.2
79.05508	19.1
81.03423	50.8
81.07061	26.7
83.04990	7.0
85.02902	13.5
85.06557	2.8
87.04503	4.0
91.05485	27.7
93.07056	29.2
95.04978	8.4
95.08619	19.4
97.02903	19.1
97.06551	3.1
97.10172	2.3
99.04480	8.9
101.02380	3.1
103.03958	5.0
103.05470	7.1
105.07038	43.4
106.05028	4.4
107.01258	2.7
107.04960	5.8
107.08604	29.8
109.02876	16.5
109.06537	14.1
109.10159	14.3
111.04466	4.2
111.08125	3.7
115.03960	4.9
115.05479	3.6
116.06234	2.8
117.07025	13.3
119.04955	3.4
119.08584	34.8
121.06510	31.1
121.10138	23.5
123.04408	4.1
123.08059	10.3
123.11754	8.1
125.02328	3.4
125.05946	2.9
125.09675	2.6
127.03870	10.0
128.06248	5.0
129.05533	6.3
129.07008	5.9
130.07848	3.2
131.08553	22.3
133.06499	6.5
133.10129	10.7
135.08066	6.9
135.11674	14.6
137.06010	3.9
137.09680	6.8
137.13300	5.7
141.07091	3.9
143.03432	7.1
143.08585	6.5
144.09386	2.8
145.04955	2.2
145.06476	4.7
145.10118	18.8
147.08057	13.2
147.11722	12.5
149.09633	7.6
149.13283	4.3
151.07559	2.8
151.11177	13.7
153.01842	100.0
153.02939	7.8
153.07051	2.8
154.02098	2.4
155.08591	4.3
157.10139	6.7
159.08060	7.1
159.11653	9.7
161.09627	4.6
161.13272	3.9
163.11185	19.8
165.09073	2.4
165.12758	14.6
169.10133	2.9
171.02982	3.0
171.07997	3.6
171.11737	3.3
173.09618	15.1
173.13297	4.0
175.07628	4.2
175.11261	3.8
177.12764	17.5
178.05000	22.2
179.10669	2.9
179.14397	2.3
187.11206	3.8
189.12724	10.8
191.10674	8.7
191.14281	4.0
193.12262	2.8
201.12796	6.7
205.12254	3.5
207.13853	5.2
215.14265	2.5
219.13850	4.5
231.13774	4.9
233.15614	2.7
243.13844	8.3
261.14923	11.9
279.15918	14.4
297.05823	18.7
297.11612	3.1
297.16797	54.6
297.19968	5.6
298.10825	15.7
298.17130	2.8
298.23511	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	297.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.01869	2.4
55.05511	6.3
56.05700	1.8
57.03476	2.0
57.07075	14.5
58.02962	8.4
58.07406	2.3
67.05513	12.9
69.03427	2.3
69.07081	15.3
69.10757	1.7
71.05009	3.1
71.08631	7.3
71.28109	2.1
79.05508	9.4
81.07065	24.8
83.04951	3.2
83.08618	4.5
88.07628	10.5
91.05483	14.0
93.07053	20.4
95.04955	4.1
95.08610	33.0
97.06525	4.9
97.10178	3.4
102.09171	4.5
105.07039	32.0
107.08588	14.9
109.06509	3.3
109.10162	8.4
116.10692	3.4
117.07025	5.3
119.08586	23.9
121.06495	10.0
121.10137	36.5
123.08089	4.2
123.11716	20.2
127.33374	1.9
129.07040	4.3
131.08582	8.5
133.10117	18.5
135.08098	2.1
135.11687	5.0
142.07791	7.8
143.08585	4.9
145.10138	21.1
147.11737	11.7
156.09360	2.6
157.10124	20.2
159.07962	2.4
159.11687	7.5
161.09645	4.9
161.13249	3.4
169.10153	3.7
171.11728	5.8
173.09697	3.0
173.13272	4.2
175.11201	8.2
175.14857	2.8
177.12827	2.6
181.10220	4.0
183.11708	3.5
185.13289	3.7
187.14873	2.8
189.16328	2.3
195.11606	2.5
197.13295	3.2
199.14873	3.9
209.13319	5.6
211.14842	3.9
213.12700	2.6
223.14806	4.9
227.14262	4.1
228.23264	26.2
237.16487	2.3
241.16019	2.7
279.21088	5.5
297.22113	26.1
297.29752	13.6
298.22205	3.1
298.31052	100.0
299.05927	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	297.2425
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
55.01878	2.6
55.05517	26.9
56.80244	2.3
57.03453	2.6
57.07082	6.4
59.23823	2.3
67.05508	84.3
68.05844	2.0
69.03433	2.3
69.07072	35.8
69.56002	11.1
71.04992	16.4
76.74279	1.9
79.05496	31.4
81.07059	100.0
83.04990	5.9
83.08636	21.8
85.06553	11.0
91.05481	16.5
93.07043	34.4
95.04961	2.8
95.08607	97.4
96.08912	3.2
97.06537	8.1
97.10165	13.6
97.16158	2.0
98.23355	2.2
99.08102	3.0
105.07020	12.4
107.08607	23.5
109.06547	2.1
109.10155	49.8
111.08057	3.1
111.11727	3.5
114.52795	2.1
117.07085	2.7
119.08569	13.1
121.10143	24.6
123.11706	19.3
125.09609	3.6
131.08591	5.8
133.06464	3.4
133.10139	10.1
135.11684	21.0
137.09616	2.9
137.13260	8.0
139.11256	3.7
145.10173	4.6
147.11702	9.3
149.13266	6.9
151.14844	2.2
153.80435	2.2
159.11679	5.9
161.13240	10.0
163.14790	3.0
173.13301	5.6
177.16446	3.0
179.14249	3.0
187.14867	2.5
195.13818	2.5
209.15434	2.8
243.21068	8.1
261.22113	22.2
279.23206	65.6
279.26184	3.9
280.23471	5.3
297.24194	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.54033	0.1
53.03947	0.3
55.01878	0.2
61.00849	0.3
61.01153	6.1
69.03433	0.6
71.74876	0.2
75.02709	2.7
81.03432	0.9
82.03758	0.5
91.37183	0.1
94.04042	0.3
97.02901	1.6
103.02172	0.5
109.02892	0.4
109.47517	0.2
119.03562	1.0
136.06190	100.0
137.04567	0.5
137.06635	1.3
145.02138	0.3
145.03165	1.3
150.39156	0.2
153.01851	1.5
154.02182	1.4
163.04289	1.2
298.03506	0.3
298.06561	0.6
298.09738	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	298.1075
Annotation	Norcularicine
Peak:m/z	Relative Intensity
50.80317	0.3
53.03947	3.5
55.01875	1.1
55.28834	0.4
56.65021	0.4
57.03451	0.5
61.46873	0.3
61.75957	0.3
69.94920	0.8
77.03952	0.8
79.19473	0.4
80.05012	0.6
81.03416	0.4
82.02953	0.7
84.04487	0.4
87.01968	0.4
91.05485	11.5
93.07051	18.9
95.04984	3.8
100.11295	0.4
103.05475	16.1
105.04523	1.5
108.04498	3.4
121.06514	92.1
122.06081	0.7
122.06834	2.3
130.02477	0.6
136.06197	0.9
150.05589	0.6
153.01840	0.6
154.02203	0.6
154.05063	0.5
154.12273	1.0
161.99574	0.4
178.05003	92.9
179.05354	2.8
186.05171	0.4
219.07890	0.4
281.18430	0.4
298.10751	100.0
299.11035	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	298.1438
Annotation	Anibacanine
Peak:m/z	Relative Intensity
50.86298	0.3
51.02382	0.4
53.03952	0.8
53.81525	0.3
55.05494	0.4
56.24546	0.3
63.02375	0.5
70.32449	0.7
73.50478	0.3
77.03940	0.4
78.04708	0.5
79.05502	5.0
88.49413	0.3
89.03919	7.3
91.05493	1.6
93.07045	0.7
95.04973	1.3
98.97607	0.5
103.05466	4.4
105.07034	49.5
106.04168	0.6
106.07365	1.2
107.04969	0.5
109.10196	0.3
117.03386	26.5
118.03738	0.8
119.04961	0.4
119.08605	0.5
121.06515	1.7
122.09657	0.3
133.10191	0.4
134.03644	1.8
135.04419	1.6
136.05231	1.3
137.05794	0.3
145.02852	64.5
146.03186	2.3
148.07558	0.4
149.05989	7.5
151.07535	1.2
157.10136	0.3
162.03142	0.6
163.03938	1.8
177.05473	100.0
178.05898	2.9
186.05525	1.0
274.97510	0.4
292.98575	0.3
298.14377	38.4
298.21591	1.1
299.14828	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	298.144
Annotation	Anibacanine
Peak:m/z	Relative Intensity
50.49174	0.4
53.03936	0.6
54.51277	0.5
56.55581	0.4
58.59792	0.4
58.60395	0.4
58.63491	0.4
60.35310	0.4
60.86482	0.4
67.05505	0.5
69.07055	0.4
71.29675	0.4
71.30121	0.6
79.05501	6.0
81.07047	0.7
83.08589	0.6
89.03922	7.5
91.05475	1.7
95.04963	1.2
95.08610	1.1
98.97584	1.0
103.05461	4.1
105.07036	50.0
106.04166	0.7
106.07313	0.5
108.97711	0.5
111.89565	0.4
116.98613	0.5
117.03381	25.5
119.04961	0.5
121.06504	0.5
123.94503	0.5
130.11166	0.5
131.63826	0.4
134.03624	1.5
135.04439	1.4
136.05164	1.5
136.06181	2.5
137.10732	0.4
145.02852	63.2
146.03189	1.8
149.05983	6.4
151.07568	1.1
162.03116	0.6
163.03999	0.8
173.63916	0.7
177.05476	100.0
178.05867	3.0
186.05460	1.3
222.34016	0.5
231.87029	0.4
257.14368	0.6
274.97397	1.0
292.98392	0.5
298.07813	3.5
298.14380	42.3
298.27448	0.9
299.14694	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	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62301	4.3
56.41579	4.1
57.07082	25.9
64.54256	4.7
67.23532	4.2
69.03429	6.8
69.70138	4.5
70.74179	9.4
74.09723	100.0
85.02954	4.9
87.36620	4.9
95.04948	5.8
96.03051	5.6
110.07179	6.0
116.87393	5.3
135.34044	4.2
136.06268	10.1
137.06058	4.6
153.01822	11.5
154.02139	7.9
211.97176	14.3
239.11351	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	298.2167
Annotation	2-(Undec-3-enyl)-4-quinolinone
Peak:m/z	Relative Intensity
53.03933	1.3
55.01871	1.6
55.05509	1.8
55.06039	0.7
67.05505	2.7
67.09694	0.7
69.06723	0.7
69.07066	3.2
77.03907	0.8
79.05505	9.5
81.07071	4.6
91.05476	4.2
93.07049	21.0
95.04971	2.0
95.08607	3.2
97.06551	1.4
103.05464	5.3
105.07037	100.0
106.07368	1.8
107.08585	6.1
108.08113	1.6
109.10158	1.8
119.08572	1.2
120.08124	1.9
121.06526	1.1
122.09677	4.9
134.09673	1.7
135.11697	12.9
136.06201	2.7
149.13284	3.0
164.10730	0.9
164.14346	4.3
177.12772	1.6
178.15913	1.0
194.15440	0.8
202.15886	1.5
206.15363	2.6
220.56519	0.7
228.13664	1.0
256.17868	1.3
256.20621	26.2
257.20981	2.0
298.21664	63.7
298.34592	0.9
299.21930	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	298.2743
Annotation	Cassine
Peak:m/z	Relative Intensity
55.05514	23.3
56.05036	11.3
57.07073	7.1
60.04525	49.5
65.21590	6.9
67.05510	33.5
69.07066	21.8
70.02502	5.5
70.14199	22.3
71.08646	6.4
76.35504	5.4
79.05508	17.0
81.07071	31.3
82.06584	9.4
83.08622	14.0
91.05487	20.1
93.07048	18.4
95.08589	27.2
97.10191	7.5
98.97593	15.2
103.05476	7.8
109.10146	10.9
116.98660	15.0
121.06522	43.4
121.10139	6.0
134.99655	9.3
136.06187	19.8
145.24086	5.4
164.92035	7.2
178.04974	51.4
274.97604	19.0
280.26379	100.0
281.26706	8.2
291.20990	6.2
292.98508	12.0
298.10666	40.6
298.13660	7.7
298.27524	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	299.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.4
67.05515	1.0
67.70796	0.4
69.03423	0.7
69.84640	1.3
76.46209	0.5
79.01852	4.2
81.27975	0.5
83.04969	1.8
85.02907	0.8
92.37897	0.4
93.07052	0.7
97.02866	0.8
107.01308	1.1
111.04464	3.5
118.53596	0.4
119.08588	0.6
125.02354	2.9
129.05470	0.6
138.68570	0.5
143.03389	6.8
153.01830	100.0
153.02914	6.4
154.02176	1.8
179.03380	0.9
181.01318	0.8
182.01869	0.5
191.07042	0.5
199.47792	0.4
201.05486	0.9
207.02882	4.6
209.94958	0.5
219.06535	2.6
221.04533	0.9
223.02350	1.1
235.06012	0.7
237.03955	0.8
245.04544	0.6
263.05457	0.4
281.06546	3.6
299.05823	0.6
299.20038	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	299.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
55.01863	0.3
67.05510	0.7
69.03428	0.6
69.85706	1.1
79.01860	4.4
81.07037	0.3
83.04984	2.2
83.37081	0.3
85.02906	1.2
91.05482	0.4
93.07034	0.3
95.08631	0.4
97.02902	0.9
99.21780	0.3
105.07058	0.5
106.49439	0.3
107.01331	1.2
107.08579	0.3
109.10241	0.3
111.04443	3.2
121.06528	0.6
123.07961	0.4
125.02346	2.7
127.03916	0.5
129.05530	0.3
137.05992	0.3
143.03400	6.3
144.96700	0.3
145.06505	0.4
145.21138	0.3
151.30501	0.3
153.01840	100.0
153.02904	5.7
154.02159	2.7
163.03889	0.9
169.10123	1.4
173.05879	0.3
174.31894	0.3
179.03366	0.8
181.01331	1.2
189.05518	0.3
193.05179	0.4
197.13336	0.4
201.05460	0.9
207.02901	3.0
217.04997	0.4
219.06491	2.2
221.04527	0.8
223.02271	0.9
225.16397	0.8
228.43669	0.3
235.06076	0.6
237.03949	0.6
242.52602	0.3
253.19614	0.5
263.05573	1.1
271.20471	0.4
281.06516	2.6
299.19940	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	299.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.3
53.03940	0.4
54.04092	0.3
55.01865	1.0
55.61081	0.3
57.47596	0.2
58.06820	0.2
61.02927	0.6
67.05492	0.5
68.99787	0.5
69.03433	8.8
70.23935	0.3
71.01369	0.6
79.05492	0.4
79.43825	0.3
81.03413	3.4
81.07062	0.4
82.03767	0.3
85.02902	0.4
91.05476	1.0
93.07042	0.8
95.04976	0.3
95.61280	0.2
97.02904	1.3
99.04459	0.5
103.05484	0.8
105.07049	0.5
106.84454	0.2
107.01324	0.4
109.02895	1.5
109.06492	0.4
109.10150	0.4
111.04439	0.9
112.74500	0.3
115.05459	0.7
117.07067	0.3
121.02898	0.3
121.06487	2.9
121.10168	0.4
122.03667	0.3
122.06829	0.8
123.04462	0.3
125.02318	0.3
127.03928	5.6
135.04457	0.4
137.02348	100.0
137.03407	6.7
137.05917	5.3
138.02692	2.2
141.07010	0.3
145.03011	0.3
147.04399	0.5
147.08038	0.5
149.05984	0.6
151.03944	0.5
153.01822	0.7
155.03395	0.7
160.05165	0.7
161.06010	0.6
163.03905	0.7
163.07527	0.6
168.05753	0.3
175.07532	2.8
178.04997	1.1
178.07828	0.3
179.03589	0.3
179.05305	1.5
179.08640	0.6
195.08034	0.4
196.05220	0.4
197.05910	0.5
206.07382	0.3
207.08002	0.5
210.06923	0.4
210.81787	0.3
211.07465	0.6
213.05533	0.4
217.72574	0.3
224.08266	0.3
225.05434	0.4
235.07533	0.7
238.06203	0.5
239.07025	0.4
239.10764	0.7
243.06213	0.3
253.08678	1.5
253.12294	0.6
267.10123	0.7
271.05667	1.0
281.06641	1.0
281.11679	0.4
297.03983	0.4
299.05447	4.4
299.12741	2.7
299.20016	0.6
300.05966	0.4
300.09351	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	299.1603
Annotation	olomoucine
Peak:m/z	Relative Intensity
55.01867	2.9
55.05510	1.9
56.05026	1.7
58.06602	10.1
67.05521	2.3
68.05034	2.9
69.03421	1.5
69.07069	6.0
69.36967	2.7
71.04990	0.9
74.02435	1.0
79.05480	1.6
81.03439	0.8
81.07048	3.3
83.08604	0.9
84.04501	2.5
84.08157	0.8
86.09711	3.6
91.05479	1.3
92.49846	0.5
93.07044	2.2
94.06581	3.3
95.04974	1.2
95.08601	2.3
96.04463	0.7
96.08136	16.0
98.97714	0.5
98.98471	0.6
100.04009	1.4
103.05480	0.7
105.07042	1.9
107.04961	7.8
107.08586	1.4
109.06548	0.7
109.10146	1.3
110.02417	1.5
111.03222	0.5
112.03288	0.6
112.03989	3.7
112.07613	12.6
119.08594	0.9
121.06486	4.0
121.10200	0.6
122.06032	2.1
122.06850	0.9
123.08108	0.6
124.07597	14.9
125.07979	0.6
131.08588	0.9
133.10161	1.1
137.02361	3.1
138.09154	1.0
140.07071	100.0
141.07368	1.4
142.08694	2.5
143.08617	0.9
145.10080	0.7
147.11697	0.6
150.05510	12.2
151.07564	1.5
153.01805	2.0
157.10101	1.0
159.08037	0.6
161.13268	0.6
163.03941	2.4
168.06584	13.0
178.04942	0.7
179.05341	1.4
183.11627	0.9
185.13266	0.9
186.07745	0.6
193.04985	3.3
199.14905	0.8
210.58170	0.5
213.12709	1.0
235.14453	1.9
253.15512	1.2
253.19366	0.5
281.14960	3.9
281.18716	0.6
297.45432	0.5
297.83725	0.5
299.09314	4.5
299.16110	5.3
299.20004	2.6
299.23557	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	299.2007
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
53.03951	1.4
55.05510	3.2
57.03426	0.9
57.07071	1.5
65.28347	0.7
67.05505	4.7
68.23126	0.7
69.03431	1.5
69.07070	2.3
71.28922	1.0
79.05510	4.6
81.07069	6.3
83.04980	1.9
83.08615	3.0
85.06561	1.4
91.05486	27.6
93.07053	6.2
95.04977	2.3
95.08610	9.6
95.56869	1.0
97.06548	0.8
103.05476	1.4
105.07040	24.8
107.08595	7.9
109.06512	2.4
109.10166	2.7
115.05450	1.6
116.06255	7.6
117.07033	2.5
119.04942	8.7
119.08584	18.2
120.14917	0.7
121.06513	2.6
121.10134	6.3
122.99781	0.8
123.08067	3.3
123.11731	1.2
125.09644	2.3
128.06245	2.1
129.07025	8.6
131.08574	43.7
133.06447	1.2
133.10114	4.9
135.08066	1.7
135.11708	0.8
141.06996	0.9
142.07791	2.7
143.08589	4.8
145.10127	5.3
147.08081	1.5
147.11728	2.5
149.09636	4.9
153.07079	1.0
155.08569	3.1
156.09375	4.0
157.10133	5.6
159.08061	100.0
159.11629	3.8
160.08376	3.7
161.09598	3.1
161.13257	1.8
163.11276	1.5
166.07745	1.0
167.08591	1.6
168.09451	1.2
169.10126	3.7
171.11697	6.1
173.09601	1.4
173.13297	1.1
175.11151	1.1
176.12012	0.9
181.10175	1.0
182.10876	1.2
183.11717	4.6
185.09663	1.2
185.13214	1.8
187.11143	1.5
189.12756	2.8
192.09439	1.0
193.10190	1.6
195.07961	0.7
195.11734	2.3
196.12556	0.9
197.13240	4.1
199.11172	5.3
199.14734	1.8
201.12643	1.3
201.16447	0.9
206.10980	1.4
207.11638	1.8
208.12534	0.8
209.13309	1.9
210.10416	1.2
211.11079	1.0
211.14854	2.2
213.12770	2.3
213.54716	0.8
215.14270	1.7
221.13315	1.8
223.14830	2.8
225.12752	4.4
225.16423	1.0
238.17125	0.9
239.14326	4.8
239.17957	0.8
240.15083	1.5
243.13832	1.9
248.15627	1.3
251.14507	0.9
253.19691	1.6
254.13263	0.8
257.19012	3.2
263.18018	4.3
267.13910	2.6
281.18997	19.8
281.21918	1.6
282.19476	1.3
299.20062	45.1
300.20374	3.3
300.23297	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	299.2007
Annotation	Totarolenone
Peak:m/z	Relative Intensity
55.05518	7.6
57.03429	1.5
57.07089	1.7
61.90231	1.3
64.62289	1.4
65.03901	1.2
67.05511	13.5
69.03426	3.0
69.07066	5.4
71.05003	2.2
79.05499	7.1
79.16815	1.5
81.07064	12.4
83.04994	2.8
83.08619	5.7
91.05487	34.4
93.07059	12.7
93.78799	1.6
95.04970	4.5
95.08615	25.8
97.06551	2.1
98.21347	1.2
100.78831	1.2
103.05500	2.1
105.07039	32.4
107.08604	12.5
109.06532	3.4
109.10159	9.2
115.05463	1.7
116.06232	6.4
119.04980	9.5
119.08584	18.1
120.08109	1.5
121.06521	2.7
121.10143	6.2
122.09717	3.4
123.08060	3.8
123.11722	1.9
125.09632	1.5
128.06238	2.2
129.07008	9.1
131.08572	42.2
132.08931	1.8
133.10117	4.6
135.08043	3.8
135.11719	3.3
137.09586	2.9
142.07803	1.4
143.08537	4.8
145.10156	6.7
147.08110	1.9
147.11655	2.0
149.09644	6.8
151.14883	2.1
155.08525	3.2
156.09322	3.4
157.10168	7.9
159.08064	100.0
159.11681	4.3
160.08301	3.0
161.09669	3.6
161.13254	3.6
163.11211	1.8
169.10139	2.4
171.11729	5.9
173.09610	2.7
173.13268	3.2
175.11179	2.3
181.10106	1.7
182.10867	1.8
183.11714	4.5
187.11198	1.8
189.12703	4.2
193.10127	2.4
197.13239	3.9
199.11197	7.2
199.14838	2.4
201.12726	2.8
202.16035	2.0
207.11761	2.2
209.13046	1.5
211.11348	2.6
212.30951	1.5
213.12639	2.1
221.13316	1.8
223.14867	2.5
225.12866	2.7
236.32623	1.4
241.15851	1.7
242.63704	1.5
243.13809	4.1
253.19521	2.1
257.18994	4.4
263.17929	4.9
281.19058	21.3
299.20068	48.9
300.20386	1.6
300.23276	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	300.1232
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
50.01598	0.2
51.02375	0.4
52.39138	0.2
53.03945	1.4
54.78167	0.2
55.01863	0.4
57.49217	0.2
61.52538	0.1
63.02377	0.3
65.03931	0.2
77.03941	0.5
77.38445	0.2
79.05498	1.2
81.03416	0.4
89.03916	5.5
90.23848	0.2
91.04910	0.3
91.05484	9.9
93.07046	10.7
95.04971	2.1
102.04662	0.2
103.05473	8.8
105.04527	1.1
107.04965	2.1
109.02885	0.3
117.03379	8.6
119.04949	4.6
121.06508	55.6
122.06822	1.5
135.04422	16.3
136.04723	0.3
137.05988	1.9
138.05507	0.6
138.09145	3.6
145.02850	11.2
146.03172	0.5
146.05989	0.3
147.04413	17.7
148.04767	0.5
162.05562	0.2
163.03905	100.0
164.04251	3.1
164.07173	0.2
176.59261	0.2
180.06613	1.1
206.08134	0.2
245.04507	0.2
273.03894	0.3
300.12302	17.8
301.03415	0.6
301.12683	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	300.1231
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
51.47445	0.3
53.03942	1.4
55.01863	0.3
66.89111	0.3
70.06578	0.8
71.27784	0.3
77.03915	0.4
79.05501	0.9
81.07072	0.4
86.09705	0.7
88.15571	0.3
89.03920	5.6
91.05484	6.5
93.07054	9.7
94.07396	0.3
95.04969	2.1
99.08125	0.3
103.05470	8.4
105.04504	1.0
107.04986	1.6
117.03390	8.0
121.06511	52.4
122.06845	1.3
128.10686	0.4
130.06497	0.5
135.04424	15.9
136.04724	0.4
137.05984	0.5
138.09138	3.7
145.02849	11.0
146.03159	0.6
147.04352	0.7
157.07567	0.5
161.52747	0.3
163.03908	100.0
164.04240	3.1
180.06577	0.9
207.45078	0.3
207.86310	0.3
300.12314	16.1
300.26337	0.5
300.99628	0.5
301.12604	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	300.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
69.13496	1.1
69.13921	1.1
75.04837	0.3
77.03902	0.3
79.05501	1.2
81.03407	0.4
89.03924	5.2
91.05488	7.2
92.05791	0.3
93.07049	11.8
95.04972	2.1
103.05474	8.2
104.05783	0.3
105.04524	1.0
107.04950	2.1
114.40907	0.3
117.03382	8.6
118.03657	0.3
121.06510	57.7
122.06828	2.0
135.04425	16.3
136.04758	0.3
137.06012	0.7
138.09138	3.8
139.03889	0.6
140.61305	0.3
145.02855	12.6
146.03224	0.5
149.05992	3.1
151.03914	0.9
163.03908	100.0
164.04251	3.3
177.05478	3.3
178.05035	0.4
180.06592	0.8
181.06525	0.5
221.04829	0.3
300.05722	0.6
300.12314	18.5
301.07465	0.4
301.10532	0.8
301.13205	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	300.1232
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
51.02370	0.5
53.03950	2.0
53.84205	0.2
55.01855	0.4
63.02366	0.2
68.39290	0.2
69.17704	0.7
69.18127	0.9
74.68381	0.2
77.03936	0.5
79.05493	1.2
81.03436	0.3
88.35072	0.2
89.03919	6.2
91.05487	8.3
93.07044	12.0
95.04966	2.8
102.94034	0.3
103.05475	9.0
104.05840	0.5
105.04510	0.9
107.04968	2.4
117.03388	9.9
118.20164	0.2
119.04912	0.5
121.06509	56.1
122.06834	1.2
134.69618	0.2
135.04420	19.2
136.04732	0.4
137.05992	0.3
138.09128	4.0
139.00261	0.7
145.02852	13.5
147.04401	0.7
163.03906	100.0
164.04262	3.2
164.72359	0.2
180.06558	1.1
186.37410	0.3
206.08093	0.3
255.06631	0.3
273.03915	0.6
275.92026	0.2
300.12308	15.2
301.03439	1.1
301.12729	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	300.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
53.03950	2.0
55.01863	0.5
55.05499	0.2
57.03429	0.2
63.02378	0.3
67.05518	0.5
68.99787	0.5
69.03413	0.2
70.14808	0.4
72.08151	0.4
77.03952	0.4
79.05501	1.6
81.03428	1.0
81.07069	0.5
86.09677	0.3
89.03923	5.8
90.04307	0.2
91.05486	7.6
93.07052	11.2
94.07366	0.2
95.04971	2.6
103.05476	8.5
104.05834	0.2
105.04515	1.5
105.07021	0.2
107.04961	2.9
108.05309	0.3
109.02884	1.5
109.06553	0.3
109.10120	0.4
117.03386	9.5
119.04960	0.6
121.06512	54.7
122.06863	1.5
133.06435	0.2
135.04422	16.0
136.04762	0.4
137.06015	0.5
137.09619	0.4
138.09143	3.9
144.08029	0.2
145.02855	12.5
146.03188	0.4
146.05995	1.9
147.04437	1.3
147.08095	0.2
153.01863	0.3
161.05962	0.4
163.03909	100.0
164.04253	3.1
164.09433	0.2
178.38280	0.2
180.06560	0.7
189.05511	0.6
194.05252	0.2
202.46004	0.2
203.03362	0.4
209.11681	0.3
217.04991	3.4
245.04485	2.4
254.17566	0.4
273.03918	3.3
286.04568	0.3
289.41791	0.2
300.12320	18.4
301.00000	0.2
301.03464	6.2
301.06894	0.6
301.12677	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	300.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.34540	0.8
55.01872	2.6
55.05516	3.2
56.05030	3.1
58.99594	5.7
67.05521	3.6
68.05011	0.9
69.07070	1.3
71.24348	1.2
72.08158	1.5
74.00687	0.6
75.33112	0.6
76.02247	1.2
79.05506	4.6
81.07069	6.2
85.01138	10.4
86.00662	29.8
86.99055	2.2
87.02701	14.0
87.27752	0.7
88.03985	1.4
91.05479	1.7
93.07035	2.5
95.04987	0.8
95.08617	4.8
98.09705	8.0
98.97594	0.8
98.98496	1.8
105.00117	1.3
105.07063	4.7
107.08582	1.7
109.06625	0.6
109.10156	2.5
113.04238	6.2
117.06998	1.0
119.08581	2.7
121.06498	2.2
121.10122	1.1
131.01616	2.5
131.08597	1.0
132.01161	46.0
133.10129	1.4
135.04381	0.9
137.09555	0.8
145.10069	1.1
147.11655	1.2
151.14825	0.9
153.01846	2.5
154.02129	1.4
156.08406	7.9
157.10095	1.1
159.04773	32.2
159.11729	0.9
160.05061	0.8
163.03899	2.2
173.13260	1.2
176.07469	1.2
179.14325	1.4
202.08989	100.0
203.09320	1.9
254.15845	0.9
255.21165	1.0
282.15192	1.0
283.20490	0.8
300.12463	0.6
300.16287	3.4
300.19666	1.5
301.03403	1.2
301.21658	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	300.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03939	0.4
55.05512	0.9
57.03443	0.4
67.05502	1.3
69.07063	0.8
69.22657	0.6
69.82663	0.6
69.83059	0.8
79.05499	3.3
79.05928	0.5
81.07070	2.3
86.06069	1.9
87.04443	0.3
91.05482	2.2
93.07046	1.5
95.04291	0.4
95.04964	0.7
95.08606	2.6
97.06454	0.5
98.23210	0.4
101.50092	0.3
102.41753	0.3
103.05488	1.8
104.07155	0.4
105.07029	59.9
106.07373	1.5
107.08584	1.5
109.10191	0.9
117.06979	0.7
119.08579	1.0
120.08112	1.6
121.06484	1.3
121.10172	0.5
122.09673	1.3
129.06969	0.4
131.08565	0.9
133.10130	0.4
134.09656	1.1
135.11739	0.5
136.11224	7.8
137.13200	0.5
145.10077	0.6
147.11714	0.7
150.12816	1.8
152.14331	1.3
159.11685	0.6
163.03940	1.0
164.14359	1.7
165.15088	0.6
184.11208	9.9
185.11482	0.4
198.12805	0.5
202.12282	10.6
212.14355	1.4
213.16333	0.4
214.15909	0.7
226.15884	5.8
227.16501	0.5
228.17477	0.9
239.66171	0.5
254.19099	1.2
255.21156	0.7
256.20599	100.0
257.20944	4.5
283.20660	0.8
300.23221	66.4
301.03522	0.8
301.06808	0.5
301.10675	0.7
301.24084	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	300.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.05518	0.5
67.05525	0.5
69.07068	0.3
69.09347	1.3
79.05490	2.7
81.07065	1.7
83.08574	0.2
86.00678	0.2
88.41085	0.2
89.91103	0.2
91.05478	1.4
93.07065	1.1
94.06573	0.3
95.04964	0.4
95.08607	1.6
103.05463	1.5
105.07035	49.7
106.07362	1.1
107.08600	0.5
108.08122	0.7
109.10152	0.4
110.09674	0.2
117.07069	0.4
119.08593	0.3
120.08109	1.1
121.06498	1.2
121.08905	0.3
122.09653	1.4
123.11717	0.3
129.06979	0.2
131.08540	0.3
132.01169	0.2
134.09645	0.4
135.04443	0.3
135.11723	0.5
136.11221	7.7
137.13223	0.9
145.02829	0.2
145.10088	0.4
150.12759	2.2
151.13622	0.2
152.14333	1.0
156.74370	0.2
158.09688	0.4
163.03906	1.6
164.14357	1.3
165.15135	0.5
168.55640	0.2
172.11211	0.2
174.12680	0.3
179.85905	0.2
184.11214	4.0
186.12851	0.5
188.14325	0.4
198.12830	0.4
199.13567	0.5
200.14374	0.4
202.09018	0.5
202.12276	3.5
202.15886	2.0
202.17612	0.3
212.14360	1.7
213.14964	0.3
214.15955	0.8
226.15926	5.1
227.16568	0.7
228.17497	1.1
254.19032	1.3
256.20609	100.0
257.20938	5.3
258.22192	0.9
300.23230	64.8
301.07074	1.0
301.23645	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	300.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01871	1.9
55.05515	11.3
57.03446	4.9
57.07061	2.1
59.04995	1.0
61.43150	0.9
65.03934	1.2
66.70054	0.9
67.05508	54.8
69.03403	2.0
69.07055	6.6
71.04984	3.1
79.05495	28.2
81.03421	1.7
81.06585	1.8
81.07062	36.1
83.04990	2.5
83.08615	2.7
85.06573	0.9
89.18777	0.8
91.04972	1.2
91.05480	14.0
92.27191	0.9
93.07051	23.8
95.04971	9.9
95.08611	73.0
96.08956	1.2
97.06561	0.9
103.05481	2.9
105.07034	100.0
105.16060	0.9
106.07392	2.0
107.08598	13.8
109.06525	5.2
109.10164	36.1
111.08025	0.9
117.07046	1.7
119.08583	21.5
120.08127	5.3
121.06457	1.0
121.10134	6.4
122.09677	24.6
123.08043	5.4
123.11736	1.3
133.10133	5.1
135.11688	5.3
137.09619	9.1
145.10123	0.8
149.13237	4.8
151.14818	12.3
161.13210	6.4
174.15773	0.9
179.14308	8.0
189.98228	1.0
196.05904	1.0
202.15938	10.2
209.44313	0.9
230.15405	3.9
256.20709	1.6
282.22278	1.8
300.23233	94.2
301.14157	1.5
301.23969	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	300.9723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81370	5.8
69.03449	9.7
70.06594	13.7
70.17473	15.2
70.17801	14.6
74.89008	6.5
84.04517	24.5
85.02932	11.4
91.05512	7.7
94.14569	7.2
94.93015	36.6
121.06509	100.0
122.02433	9.6
122.06842	42.6
130.05023	11.6
138.05510	17.0
139.05029	47.7
139.05885	12.4
140.03406	35.7
140.08136	11.4
144.07637	7.4
162.95659	20.8
176.93535	46.3
188.93605	7.3
198.98555	17.3
201.08759	8.1
206.94473	7.7
224.95801	7.2
250.93521	17.8
252.46222	6.6
264.95200	11.6
282.96243	56.5
300.97302	30.4
301.11362	8.5
302.02661	14.0
302.13553	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0709
Annotation	Diosmetin
Peak:m/z	Relative Intensity
50.81183	0.2
50.81413	0.2
55.01852	0.2
55.05504	0.2
57.03441	0.3
57.89304	0.1
67.01854	0.5
67.05496	0.9
67.11380	0.1
68.14462	0.1
68.99794	0.2
69.07072	0.3
77.53087	0.2
79.05502	0.7
79.69428	0.1
81.03391	0.2
81.07065	0.9
83.01343	0.2
83.04964	0.2
89.03922	0.2
91.05460	0.5
93.07043	0.5
95.04985	0.3
95.08589	0.9
99.04424	0.2
105.07037	1.5
106.07362	0.2
107.08595	0.6
109.10172	0.6
117.06995	0.2
119.08595	0.5
121.10117	0.3
122.09728	0.2
123.00833	0.3
124.01572	1.9
129.05432	0.2
133.10107	0.4
135.04431	1.5
136.05191	0.8
137.02327	0.5
141.05486	0.2
145.10126	0.2
147.11636	0.2
161.02336	0.8
165.32292	0.2
167.03404	4.8
176.04599	0.3
177.84250	0.2
184.05167	0.9
185.04443	0.3
185.05904	0.2
187.03952	0.2
201.16335	0.2
202.15886	0.2
203.03429	2.0
211.04019	0.2
212.04686	0.7
213.05435	1.3
215.03412	0.2
229.04927	0.6
230.05725	0.3
240.04073	0.2
241.04912	0.7
255.06473	0.2
257.04535	0.2
258.05246	19.4
259.05637	0.9
283.05945	0.2
286.04727	6.9
287.05386	0.2
300.23239	0.4
301.07065	100.0
302.07416	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	301.0706
Annotation	Ptaeroxylol
Peak:m/z	Relative Intensity
50.74412	0.6
55.05550	2.0
57.03472	0.8
58.21019	0.5
66.01119	1.1
67.05506	3.8
68.99834	1.3
69.03442	0.6
69.07095	0.9
71.05036	1.3
71.29288	1.1
78.48368	0.6
79.05556	2.7
81.03450	0.6
81.07061	6.5
83.08665	0.8
91.05499	3.2
92.24336	0.5
93.07037	4.5
93.59371	0.5
93.87977	0.6
94.04241	1.0
95.05062	2.0
95.08601	7.1
105.07030	6.7
107.08592	3.3
109.10229	2.7
117.07083	1.1
118.06641	0.6
119.08614	4.5
121.02881	5.1
121.06654	0.6
121.10217	2.3
128.67140	0.5
129.07008	0.8
131.08644	2.7
133.10120	3.2
137.02437	0.9
137.15468	0.6
143.08597	1.3
145.10138	6.0
146.06052	1.4
147.11705	3.6
149.13336	0.7
157.10207	1.9
159.11693	2.8
160.12392	0.7
161.13326	1.5
163.11235	0.8
171.11717	0.8
173.13359	1.8
177.12894	0.8
184.05263	2.4
185.13260	0.8
187.14854	2.1
188.04800	1.7
188.07126	1.2
189.05553	0.6
189.16383	1.2
199.14848	1.1
201.16402	3.0
202.17230	0.7
207.13872	0.7
212.04788	1.2
213.05470	3.1
217.04997	1.7
227.18089	1.5
229.04865	4.2
240.04202	0.9
241.04897	1.5
245.04443	1.1
255.21135	1.3
257.04526	2.4
258.05292	13.3
269.17545	1.2
273.03986	1.0
283.20578	0.9
285.00732	1.1
285.03925	32.9
286.04712	86.2
287.05234	3.7
301.07050	100.0
301.14243	2.3
301.21686	9.8
302.04312	1.1
302.07291	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	301.0917
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
52.51316	13.3
52.61115	11.5
58.06599	12.0
63.62898	12.6
70.06581	79.1
71.13815	12.9
72.08156	47.2
78.75103	11.7
81.03383	12.3
84.04508	15.5
84.08155	16.4
86.09708	87.2
90.37273	13.1
93.89941	11.1
95.04977	44.6
116.07069	21.0
121.02883	27.3
131.98668	12.2
133.02783	12.5
139.03918	100.0
153.01836	31.2
172.10864	18.1
177.05743	14.4
185.16531	28.2
189.01892	19.9
248.07794	13.3
273.00201	19.5
291.49283	12.6
300.74063	17.4
300.99808	20.3
301.12650	19.8
302.21793	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01880	7.4
57.03440	3.3
58.15750	0.9
65.03951	5.9
66.64792	0.8
67.05515	3.1
69.03439	1.2
69.07079	1.6
69.97958	0.8
71.30882	1.4
73.02923	46.4
75.04489	2.0
77.03925	0.9
79.05510	1.6
80.88332	0.8
81.03407	1.1
81.07045	0.8
82.04218	1.7
84.04510	1.2
85.02917	3.1
86.72342	0.8
89.03973	0.9
91.05509	3.4
93.03430	2.2
93.07066	1.8
95.04980	11.4
97.02882	1.3
97.06551	1.7
103.05481	1.0
107.04975	1.7
108.02065	0.8
109.02902	1.0
110.03645	4.2
111.04436	2.8
113.84267	0.8
121.06497	4.2
123.04435	18.0
123.81959	0.9
125.02365	3.7
125.06013	3.7
127.03963	1.0
134.03603	1.1
135.04433	1.2
136.07639	1.1
137.06029	3.4
137.07922	1.0
138.03171	1.5
139.03918	3.8
140.04695	78.0
142.02637	2.5
147.06555	3.1
147.07689	0.9
149.05988	10.4
151.03903	4.3
152.06197	1.9
152.08093	0.8
153.05486	5.0
153.07013	3.8
155.07040	88.6
156.07396	2.2
158.11774	1.6
163.03966	1.6
165.07033	1.5
167.07051	2.7
167.08475	1.2
169.06537	1.6
170.07240	1.1
171.06561	3.3
173.08089	6.1
177.05499	11.2
179.07077	2.5
181.04979	100.0
181.06371	5.5
181.08299	4.7
182.05338	2.2
182.07309	1.2
183.04430	1.2
185.06084	1.0
195.08043	1.3
197.06004	1.8
198.06772	3.5
209.06013	2.4
209.08072	19.1
211.04185	0.8
211.07677	1.3
213.09152	2.9
217.04979	2.0
226.06291	2.8
227.07159	1.5
227.09160	40.9
228.09595	0.9
239.07146	0.8
241.08644	2.9
243.47411	0.8
269.08136	1.8
286.04794	1.0
301.03589	2.0
301.07132	2.6
301.10773	12.1
301.13629	3.0
301.18298	1.0
302.19531	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	301.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00591	0.8
52.19278	0.7
53.03937	2.3
55.01876	7.4
57.03430	2.9
65.03937	5.4
67.05518	3.6
68.99788	1.2
69.03426	1.0
69.35049	2.8
69.35474	2.6
73.02919	49.0
75.04475	2.2
79.05475	1.2
82.00526	1.1
82.04188	1.8
83.07356	0.9
84.08138	1.1
85.02916	2.7
89.87637	0.7
91.03953	1.0
91.05480	2.3
91.35925	0.7
91.73014	0.8
93.03400	3.1
93.07060	1.8
95.04966	11.5
97.02885	1.6
97.06532	1.8
101.54865	0.7
103.05437	0.9
105.04436	0.7
108.02168	1.4
110.03661	5.8
111.04431	3.6
117.95464	0.7
121.06467	2.1
122.09647	1.0
122.75738	0.7
123.04441	18.9
124.11215	1.9
125.02346	4.2
125.05987	2.1
135.04404	2.2
137.02412	1.1
137.05959	1.5
138.03137	2.3
139.03908	10.9
140.04684	83.0
140.10683	1.3
141.04964	1.6
141.11417	2.1
142.02605	2.2
144.08052	1.0
147.04494	0.9
147.06505	3.8
149.05927	2.1
151.03888	2.4
153.05447	6.0
155.07031	98.7
156.07373	2.6
158.11765	18.6
161.05931	0.9
163.03925	1.8
166.06242	0.9
167.07085	2.0
171.06549	4.6
173.08127	4.8
173.09431	0.8
177.05385	1.1
178.43047	0.8
179.07016	2.3
181.04961	100.0
182.05312	3.7
184.07486	0.8
197.06201	0.9
205.04965	2.5
209.08072	21.1
224.30292	0.9
225.07469	1.0
227.07237	2.0
227.09149	46.3
228.09488	2.2
255.06534	2.1
255.11320	0.9
283.06024	2.8
301.03619	1.6
301.07034	7.5
301.12793	6.2
301.18439	2.1
302.19614	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	301.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01880	7.4
57.03440	3.3
58.15750	0.9
65.03951	5.9
66.64792	0.8
67.05515	3.1
69.03439	1.2
69.07079	1.6
69.97958	0.8
71.30882	1.4
73.02923	46.4
75.04489	2.0
77.03925	0.9
79.05510	1.6
80.88332	0.8
81.03407	1.1
81.07045	0.8
82.04218	1.7
84.04510	1.2
85.02917	3.1
86.72342	0.8
89.03973	0.9
91.05509	3.4
93.03430	2.2
93.07066	1.8
95.04980	11.4
97.02882	1.3
97.06551	1.7
103.05481	1.0
107.04975	1.7
108.02065	0.8
109.02902	1.0
110.03645	4.2
111.04436	2.8
113.84267	0.8
121.06497	4.2
123.04435	18.0
123.81959	0.9
125.02365	3.7
125.06013	3.7
127.03963	1.0
134.03603	1.1
135.04433	1.2
136.07639	1.1
137.06029	3.4
137.07922	1.0
138.03171	1.5
139.03918	3.8
140.04695	78.0
142.02637	2.5
147.06555	3.1
147.07689	0.9
149.05988	10.4
151.03903	4.3
152.06197	1.9
152.08093	0.8
153.05486	5.0
153.07013	3.8
155.07040	88.6
156.07396	2.2
158.11774	1.6
163.03966	1.6
165.07033	1.5
167.07051	2.7
167.08475	1.2
169.06537	1.6
170.07240	1.1
171.06561	3.3
173.08089	6.1
177.05499	11.2
179.07077	2.5
181.04979	100.0
181.06371	5.5
181.08299	4.7
182.05338	2.2
182.07309	1.2
183.04430	1.2
185.06084	1.0
195.08043	1.3
197.06004	1.8
198.06772	3.5
209.06013	2.4
209.08072	19.1
211.04185	0.8
211.07677	1.3
213.09152	2.9
217.04979	2.0
226.06291	2.8
227.07159	1.5
227.09160	40.9
228.09595	0.9
239.07146	0.8
241.08644	2.9
243.47411	0.8
269.08136	1.8
286.04794	1.0
301.03589	2.0
301.07132	2.6
301.10773	12.1
301.13629	3.0
301.18298	1.0
302.19531	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	301.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73450	0.5
54.67760	0.5
55.05510	0.8
56.05033	1.7
57.16994	0.6
60.49746	0.6
68.05031	1.0
69.07069	21.5
69.66174	2.4
70.06589	2.4
72.08160	12.3
81.07076	0.7
83.06120	0.6
84.04507	100.0
85.02904	0.7
85.04840	1.1
86.09709	8.5
87.00838	0.8
91.05529	0.6
96.04500	1.2
98.23263	0.7
101.07130	1.5
102.05544	2.5
104.03480	3.3
105.03434	0.8
113.07110	1.4
121.24221	0.5
123.04430	0.9
129.06630	3.0
130.05005	88.9
131.05309	1.7
132.10185	0.6
135.04419	1.6
139.03923	7.2
140.90973	0.5
142.04976	2.6
143.08121	0.8
143.11816	7.2
144.06558	1.4
147.07677	0.7
152.03430	11.6
152.10707	13.1
153.03853	0.5
157.13364	2.0
163.03894	0.9
169.13319	2.6
170.04494	6.6
171.07660	2.1
171.11302	3.3
172.06049	19.4
180.02950	0.7
187.07161	2.8
188.05565	6.1
189.01823	1.0
189.08777	4.2
197.05649	0.8
197.12852	1.5
198.03981	40.6
198.11259	0.9
199.04323	1.0
199.07178	2.1
201.08626	0.9
211.14473	1.3
215.06682	4.6
215.13939	5.6
216.05029	20.6
217.01280	1.1
217.05212	0.7
233.07664	6.6
239.13945	1.5
255.06441	0.8
255.13354	2.0
257.14938	8.1
273.00119	1.2
283.05966	1.5
283.12979	5.2
286.04788	1.5
300.99847	1.6
301.06973	5.4
301.13959	26.1
302.14218	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	301.2163
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
53.03946	2.7
54.04018	1.4
55.01871	4.5
55.05513	20.4
57.03434	2.3
57.07084	2.4
59.04977	1.7
63.99825	1.2
64.91073	1.4
65.03939	3.1
67.05509	61.8
69.03433	3.1
69.07075	21.1
71.04996	1.5
72.04512	2.0
79.05490	12.3
81.07060	28.3
83.04990	1.4
83.08620	5.2
85.02986	1.4
91.05477	17.4
93.07047	27.2
95.04974	18.8
95.08615	23.0
97.06548	5.7
97.10194	3.0
98.22592	2.6
105.07048	14.9
107.08596	40.1
109.06518	17.8
109.10164	100.0
110.10492	2.8
111.08129	1.3
115.05493	1.7
117.07042	4.8
119.08588	67.9
121.06530	5.2
121.10146	10.2
122.07327	3.0
123.08073	15.8
123.11713	3.1
128.06215	2.0
129.07027	5.0
131.04973	2.3
131.08583	7.4
132.05710	1.7
133.10136	9.6
135.08075	25.3
135.11702	7.9
137.09627	64.0
138.09962	2.4
142.07750	2.1
143.04912	1.5
143.08588	3.8
144.05725	1.7
145.06516	3.5
145.10106	7.7
147.08055	2.0
147.11685	5.0
148.08823	3.1
149.06006	2.5
149.09575	7.6
149.13306	2.1
151.07610	3.0
155.08653	1.8
157.06519	6.0
157.10146	4.8
159.08061	2.7
159.11682	3.7
161.05972	4.3
161.09671	6.7
161.13321	6.2
163.07565	9.7
163.11205	4.7
165.09161	4.0
165.12767	9.6
171.08070	2.3
171.11658	3.4
173.13251	2.5
175.07573	5.7
175.11157	1.9
175.14856	2.1
176.11992	1.5
177.09096	2.5
179.10721	1.7
181.12253	2.3
185.13312	3.0
187.11276	1.5
189.09129	2.2
189.12773	2.3
191.10703	11.3
191.14316	63.2
192.14619	1.6
198.10466	1.6
199.11292	2.2
203.10704	6.3
205.12257	31.0
205.15909	5.0
212.58557	1.7
213.12805	5.5
217.12263	39.9
217.15860	5.1
218.12553	1.7
219.13805	2.3
221.15396	8.0
227.14381	1.9
231.13866	6.2
245.15341	10.7
283.20612	4.2
301.18216	4.6
301.21661	68.8
301.25146	4.3
302.21960	4.0
302.24994	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	301.2164
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.01668	1.9
53.03941	3.4
53.07040	2.1
53.15550	2.0
53.40065	2.3
55.05515	16.7
57.03441	4.9
67.05180	2.9
67.05505	31.7
68.99789	2.8
69.07059	14.8
71.04989	10.7
71.29686	2.0
75.04464	2.7
79.05501	21.0
81.07057	58.6
83.04995	3.2
83.08638	5.2
85.06545	5.3
86.09709	9.9
91.05484	36.1
93.06473	4.3
93.07048	75.5
95.04965	8.2
95.05496	2.1
95.08610	82.6
96.08907	2.4
97.06539	6.4
97.10188	4.5
105.07032	65.9
107.08593	38.2
109.06528	6.4
109.10152	18.0
110.10491	3.1
111.08085	6.2
117.07030	10.3
119.08580	62.8
120.08881	3.0
121.06524	5.0
121.10147	35.0
123.08090	4.2
123.11706	5.6
126.40647	2.1
128.06230	2.7
129.06949	2.3
130.07771	2.8
131.08575	22.2
133.10129	38.3
135.08044	5.8
135.11703	8.6
137.09625	5.1
139.07451	2.6
139.11137	2.6
143.08575	7.9
145.10107	37.5
147.11688	51.5
149.13274	3.5
151.11163	3.9
157.10175	9.5
159.11700	35.3
160.12421	10.7
161.09613	2.5
161.13281	26.1
163.11186	4.5
163.14874	2.4
171.11717	6.9
173.13232	18.3
175.11214	3.0
177.12831	2.3
183.11725	3.7
183.13800	2.7
185.13307	5.8
187.11205	3.8
187.14825	18.6
189.16379	8.6
193.12370	3.7
197.13268	4.1
199.14880	5.9
201.16382	15.6
202.17184	8.3
207.13806	2.5
213.16422	3.2
217.05078	4.6
221.74773	2.1
227.17894	12.1
245.04550	3.8
255.21132	8.6
258.05499	2.7
265.19565	5.3
269.17517	4.7
283.20612	7.8
301.03491	12.8
301.06723	4.0
301.10953	2.3
301.14304	4.3
301.21664	100.0
301.29153	3.2
302.21970	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	302.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65858	9.4
58.35626	9.1
70.06583	51.4
70.20269	26.7
86.06068	37.7
86.09711	12.1
89.42953	9.6
112.08743	12.0
114.05556	12.9
116.03499	11.2
116.07098	10.1
116.80853	9.3
117.98505	10.0
122.06025	31.9
131.01422	8.6
140.03395	20.0
140.07025	9.8
144.13467	8.8
156.13011	10.5
201.08699	100.0
272.67776	9.3
302.02710	83.6
302.13470	32.9
303.01715	10.6
303.05038	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.087
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
51.99737	0.7
55.38110	0.7
55.74108	0.7
56.26738	0.6
56.96567	2.4
57.03437	0.9
61.02929	1.6
67.06258	0.7
68.51534	0.6
69.03414	2.4
70.06584	1.8
71.15341	1.3
73.31711	0.8
78.03443	1.4
81.03428	2.3
81.04551	1.3
84.17118	0.8
85.02906	7.5
94.84677	0.7
97.02888	2.6
101.00922	0.7
108.08143	1.2
122.02390	1.8
122.07135	1.3
123.04420	0.9
127.03940	1.9
130.06500	1.2
134.06039	1.8
134.85214	0.7
140.03427	100.0
140.08202	3.9
141.03714	3.2
143.04932	0.9
145.05031	1.5
152.07098	2.2
153.01799	3.7
157.07576	0.8
158.03081	0.9
166.02890	2.1
167.26227	0.7
168.04527	1.0
169.02834	0.9
170.06041	3.7
170.08133	1.8
171.04398	2.6
176.04092	1.6
184.03917	1.6
188.07065	3.5
189.05443	4.3
192.05104	0.9
201.01854	1.7
201.08752	2.8
207.06572	2.3
210.06172	4.4
213.06633	3.0
214.05098	1.7
217.08105	0.9
222.06050	1.6
229.01237	1.5
231.07671	13.8
232.06119	2.0
233.07851	0.9
235.09315	1.6
247.02449	0.9
249.08730	6.6
256.06335	1.7
257.00867	2.1
261.03012	1.2
261.07248	1.3
275.01868	1.5
279.08154	1.9
285.00348	1.7
285.04214	0.7
285.07227	0.9
296.97601	0.8
302.08929	1.7
302.13269	4.3
302.98007	0.5
303.01340	13.4
303.04932	2.9
303.08334	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
53.61078	2.3
55.01854	2.6
56.05026	2.1
56.90442	2.3
57.03442	4.7
57.20058	2.4
63.71625	2.6
65.03945	3.4
67.05497	6.3
69.03431	13.2
69.76212	4.9
69.76614	9.1
70.06591	8.7
72.08151	6.9
73.02913	3.3
74.30544	2.1
79.04308	2.5
79.05493	6.6
81.03428	6.9
81.07066	8.4
83.07356	4.0
84.04478	2.5
84.08155	2.8
85.02911	74.2
86.09686	4.6
91.05480	9.2
91.17430	2.5
91.49550	2.2
94.06592	2.4
95.04946	7.0
95.08572	6.1
97.02893	35.0
97.06538	3.2
103.03941	3.4
107.04977	2.5
108.08136	14.3
109.02905	13.6
121.06489	5.4
122.06016	9.6
123.04413	6.5
125.05973	6.8
126.05489	9.3
126.09158	4.6
127.03902	12.7
135.04483	2.7
136.07596	18.6
136.73380	2.2
137.02370	3.7
137.05914	2.9
139.03905	13.6
140.04265	9.3
140.07071	35.9
140.10724	3.8
141.11539	3.8
145.04953	7.7
147.04445	4.0
150.09164	3.9
151.03918	4.0
152.04149	2.6
152.07091	19.4
153.01817	3.8
153.05530	5.2
154.08665	3.7
155.04897	3.4
158.11784	46.4
163.06033	2.6
164.07095	18.8
173.02344	3.8
177.05498	5.2
178.08653	15.0
182.08144	80.6
191.03401	3.4
201.01843	11.1
206.08109	29.0
219.02908	3.7
229.01331	10.2
229.04994	5.9
247.02419	8.9
248.09171	9.1
257.00861	16.7
257.04504	4.6
275.01901	18.5
275.04749	3.1
284.06284	3.1
285.00391	15.1
285.03854	3.6
285.07516	5.8
302.07336	6.6
302.11078	6.7
302.19592	46.1
303.01337	100.0
303.04996	38.4
303.08414	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01857	0.7
57.03431	1.8
61.02914	1.9
65.03924	0.9
66.19680	0.6
67.05505	20.8
69.03432	10.5
69.06725	0.9
69.07070	9.6
70.06579	0.6
71.06134	0.6
71.31999	0.5
72.08160	1.3
73.02913	0.6
73.47361	0.6
79.05489	1.6
81.03423	3.8
84.08142	1.9
85.02908	27.4
86.09696	1.7
89.03918	1.5
91.05479	1.6
94.06554	1.2
95.04971	34.2
95.13847	0.6
97.02895	23.0
99.04458	1.1
103.03931	3.0
107.04971	0.8
109.02892	5.2
112.07607	19.3
112.94240	0.6
113.06008	1.8
113.07944	0.6
117.03393	1.0
119.04897	1.0
121.06473	0.9
122.06031	1.3
123.04445	1.7
124.07595	2.6
127.03900	4.7
128.10732	0.8
130.08611	0.6
135.04404	0.7
136.07587	1.6
140.07068	55.8
141.07407	1.3
145.02850	2.5
145.04962	2.2
146.06020	2.3
147.04398	2.2
147.11296	0.8
152.07054	0.9
153.01866	0.8
154.08612	3.8
156.02686	7.1
157.02832	0.9
160.07413	0.6
163.03893	2.3
169.02612	1.6
173.02379	5.4
175.03900	1.1
178.08611	1.7
182.08138	38.8
183.00766	0.7
183.08450	1.9
191.03410	3.4
197.33662	0.6
201.01839	9.1
201.08629	0.9
203.03406	1.2
206.08119	8.4
213.01794	0.7
218.08176	1.3
219.02919	8.0
229.01323	9.1
231.02824	1.4
236.09131	2.0
241.01474	0.6
247.02376	11.1
248.09178	5.8
257.00812	14.2
259.02441	1.9
275.01865	13.8
283.11084	0.6
285.00311	10.6
302.00519	1.6
302.06387	4.8
302.12842	1.1
303.01364	100.0
310.71915	0.6
321.02557	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	302.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01868	3.0
55.25304	1.4
57.03439	5.6
61.02934	8.9
65.17114	1.7
69.03433	15.1
69.05341	13.2
69.61819	1.4
71.04994	3.1
73.02927	4.4
81.03431	10.1
85.02911	100.0
86.09685	2.7
87.04495	4.7
91.03960	6.4
91.05489	2.0
97.02910	21.6
98.23348	3.4
99.04454	4.0
105.07030	10.2
109.02908	5.8
112.36887	1.7
121.06490	3.4
123.04542	1.6
127.03925	25.6
134.60768	1.6
137.02367	6.2
145.04964	44.7
147.04446	2.0
153.01857	4.9
163.03906	1.9
163.05994	13.9
165.01852	2.6
173.02419	3.2
180.08734	2.9
191.03424	2.8
192.29326	1.8
201.01837	8.6
201.05525	3.8
207.02715	1.5
213.01970	2.7
217.01349	1.9
229.01360	6.7
229.05025	6.9
247.02400	8.0
257.00836	15.6
257.04507	2.4
275.01859	11.5
285.00351	10.1
285.03098	1.9
302.00577	4.2
302.03839	1.6
303.01367	77.7
303.05042	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1963
Annotation	(-)-Floridinine
Peak:m/z	Relative Intensity
51.87631	0.3
53.23920	0.5
55.01856	0.4
55.05510	0.5
65.03939	0.3
68.99780	0.4
70.06601	2.1
71.29049	0.3
73.02916	0.9
73.06548	0.8
79.05496	0.3
80.96267	0.3
81.07070	0.4
82.06598	0.5
83.07362	6.5
84.07645	0.3
84.08147	6.0
85.02925	0.3
86.09712	0.9
87.01164	0.3
91.05476	0.5
94.06557	0.3
95.04967	0.4
95.08598	0.5
96.05301	0.3
96.08126	0.7
97.08925	1.1
105.03422	0.3
107.04964	0.4
110.09685	3.3
113.08386	0.3
119.04956	0.5
121.02782	0.4
121.06498	0.3
122.09693	1.8
123.04440	1.1
123.08079	0.4
124.11234	10.4
124.12140	0.5
133.06422	0.3
137.05972	0.4
139.03908	1.0
139.42752	0.3
140.04582	1.0
140.07025	0.4
140.10713	6.8
141.05026	1.1
141.11496	9.7
142.12248	0.5
145.02861	0.4
147.04431	0.6
149.02339	0.7
151.03896	1.3
153.01833	0.5
155.04907	0.3
155.07054	1.1
156.07408	1.3
158.11771	100.0
159.12085	2.0
163.03952	0.7
167.07048	1.8
172.04723	0.3
173.02353	0.6
181.04962	1.4
182.05322	2.2
191.03366	0.7
201.01869	1.4
205.05066	0.3
210.08408	0.6
213.05447	0.5
219.02846	0.8
228.09474	0.9
229.01361	1.1
229.04950	0.6
231.02866	0.4
243.46712	0.3
243.74075	0.3
247.02437	1.0
247.06012	0.6
252.15915	0.4
257.00873	2.2
257.04395	0.9
258.17053	1.3
259.02438	0.4
275.01846	1.7
275.05334	0.6
284.18646	1.1
285.00308	1.4
285.03946	1.1
302.19626	81.6
303.01358	11.6
303.04977	4.0
303.08554	0.7
303.19952	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	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42612	2.3
52.77726	2.3
55.79935	2.4
56.05949	2.2
63.00271	2.2
69.15507	6.7
69.15921	11.1
70.06596	36.0
70.31580	2.4
71.08643	19.4
86.09724	4.2
88.11271	100.0
98.22646	4.9
100.03983	3.8
116.07095	94.4
122.06062	3.2
172.10789	2.5
173.09196	3.2
201.01881	3.0
215.10341	14.1
229.01079	2.8
257.00845	3.5
275.01758	3.1
285.00314	3.0
293.09912	2.3
303.01471	21.9
303.04767	3.9
305.12265	2.5
307.17041	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	303.0136
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
63.66314	0.2
66.60369	0.2
68.99805	0.3
71.06070	0.2
71.29424	0.4
79.05489	0.4
83.13239	0.2
89.03928	0.6
91.05485	1.0
95.04965	0.4
103.01812	0.2
105.07011	0.3
107.05006	0.4
117.03373	1.2
119.04938	0.4
120.63026	0.2
121.06545	0.2
123.04429	0.7
129.03348	0.4
131.57346	0.2
133.02846	0.3
135.04465	0.3
137.02328	0.2
137.06010	0.3
139.03877	0.6
145.02859	2.5
147.04408	1.4
151.03914	0.8
153.01834	0.5
157.02884	1.5
161.02411	0.3
163.03934	1.5
171.10225	0.3
173.02342	5.4
175.03935	1.0
177.01768	0.3
177.05348	0.2
183.00836	0.7
185.02266	1.2
189.01874	0.3
191.03426	2.6
201.01849	12.5
202.02266	0.5
203.03426	1.4
205.01357	0.3
207.02966	0.3
211.07512	0.3
213.01846	1.5
213.05418	0.2
217.01460	1.0
219.02882	2.4
229.01343	9.0
229.04941	0.5
230.01775	0.4
231.02910	2.5
241.01260	1.3
247.02386	8.6
248.02771	0.4
257.00821	21.4
258.01190	1.2
259.02390	2.6
275.01865	16.7
276.02271	1.0
285.00320	15.8
285.12350	0.6
286.00806	1.3
303.01379	100.0
303.04733	5.1
304.01718	5.7
304.05023	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	303.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18706	0.2
53.03953	0.2
55.05508	0.2
56.05035	0.3
57.07076	0.6
65.03957	0.3
67.05513	0.2
68.99803	0.5
70.06585	0.2
72.08173	0.2
74.09719	1.4
79.05500	0.3
81.03435	0.3
81.07076	0.3
83.06113	0.3
84.04509	6.6
85.02917	0.2
86.09711	0.6
87.30601	0.2
88.11271	0.3
89.03897	0.9
91.05489	1.2
93.07032	0.2
95.04989	0.4
95.08647	0.2
97.06560	0.2
98.06084	0.2
103.05488	0.4
107.04915	0.4
107.08597	0.2
109.02871	0.2
111.00816	0.5
117.03390	1.2
119.04955	0.5
119.90962	0.2
121.02880	0.5
121.06532	0.2
123.04425	0.2
123.08082	0.3
127.03944	0.2
129.03391	0.5
130.05016	0.4
130.06500	0.2
130.08629	0.3
134.86967	0.2
135.04414	0.5
137.02353	1.6
139.03864	0.2
139.12318	0.3
140.10709	6.8
144.06564	2.2
145.02850	2.5
147.04408	1.7
147.05322	0.2
151.03932	0.3
152.03435	0.5
153.01817	1.8
154.12227	0.9
157.01056	0.4
157.02864	1.3
161.02328	0.3
161.05904	0.2
163.03949	1.7
165.01826	0.8
169.02600	0.2
170.04449	0.3
172.09909	0.2
173.02351	5.8
173.05974	0.4
175.03899	1.1
177.01816	0.2
179.03409	0.3
183.00790	0.9
183.02910	0.3
183.04424	0.3
185.02322	1.0
187.04005	0.3
189.01917	0.3
191.03400	2.9
199.14471	0.4
200.12941	0.2
201.01837	13.1
201.05583	0.7
202.02281	0.6
203.03380	1.8
207.02904	0.5
212.05521	0.9
213.01862	1.5
217.01385	0.9
219.02922	2.3
219.06369	0.2
220.03076	0.2
221.91733	0.2
229.01338	10.0
229.04764	1.8
230.01694	0.5
231.02914	2.4
233.00951	0.2
235.02451	0.2
241.01323	1.1
243.13474	1.4
247.02399	9.9
248.02783	0.5
257.00827	20.1
257.04346	0.7
257.15097	0.3
258.01135	1.0
259.02420	2.8
267.11395	0.3
271.13058	0.4
274.01270	0.2
274.04874	0.3
275.01868	16.8
276.02322	0.9
285.00308	15.2
285.12335	0.6
286.00885	1.3
303.01428	100.0
303.05002	17.3
304.01770	5.4
304.05380	1.0
321.02527	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	303.0136
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
50.23855	0.2
55.01866	0.7
56.05036	0.5
65.03943	0.6
67.01875	0.3
67.05511	0.3
68.99790	2.2
69.03429	0.7
70.06586	0.9
71.08642	1.7
71.30611	0.3
79.05505	0.5
81.03403	0.7
81.07050	0.3
84.04507	9.3
85.02907	0.3
86.06023	0.2
88.11272	7.1
89.03925	0.5
91.05478	1.5
93.03419	0.7
93.07027	0.3
95.04970	1.2
95.08617	0.4
98.06054	14.4
103.05483	0.8
105.03384	0.3
105.07069	0.2
105.16055	0.2
107.04969	0.5
109.02875	1.1
111.00816	1.6
111.04414	0.3
113.09619	0.2
115.05499	0.3
117.03354	1.2
117.07031	0.4
119.04949	0.8
121.02867	2.0
121.06504	0.5
123.04436	0.9
124.04007	0.3
127.03933	0.3
129.03375	0.4
129.06970	0.3
130.05009	4.0
131.04939	0.8
133.02852	0.4
135.04427	0.7
137.02344	6.4
137.03377	0.5
137.05992	0.7
139.03929	0.3
141.07036	0.2
143.04930	0.3
145.02863	2.1
145.06519	1.1
147.04414	1.9
149.02353	0.9
149.05952	0.5
151.03911	0.8
151.07510	0.4
151.21336	0.2
152.03412	1.7
153.01828	9.6
153.05396	0.4
153.13904	1.0
154.12267	12.9
155.04926	0.9
155.08534	0.3
155.12636	0.2
157.02907	1.4
157.06523	0.3
159.04385	0.3
161.02481	0.3
161.06047	0.5
163.03883	2.1
163.07594	0.2
165.01830	3.2
165.07013	0.8
166.02698	0.4
168.05685	0.3
171.14938	2.5
173.02344	5.1
173.05913	1.3
174.02673	0.3
175.03894	1.0
177.01895	0.5
177.05444	0.2
179.03409	0.7
181.06473	0.3
183.00807	0.9
183.02878	1.2
183.04457	1.0
183.08015	0.7
185.02351	1.2
187.03972	0.6
189.01863	0.4
191.03400	2.5
191.07108	0.3
195.02878	0.4
197.06000	0.4
197.12943	0.4
198.03911	1.2
199.14389	1.1
200.12836	0.9
201.01826	11.1
201.05437	3.8
202.02318	0.5
203.03380	1.8
205.04994	0.5
207.02956	0.5
211.00647	0.2
211.04033	0.5
211.07611	0.9
213.01833	1.4
213.05389	0.4
213.15944	0.3
217.01352	1.1
217.15442	0.4
219.02971	2.0
219.06442	0.4
228.04150	0.5
228.99426	0.2
229.01335	8.9
229.04976	8.9
230.05348	0.5
231.02831	2.1
232.03432	0.2
236.41887	0.2
239.03389	0.4
239.07120	0.4
239.13998	0.4
241.01341	1.5
243.10159	0.6
243.13661	0.3
245.04504	0.3
247.02380	8.3
247.05923	1.1
248.02701	0.4
253.96339	0.2
257.00827	21.0
257.04443	4.2
257.14966	3.8
258.01120	1.0
259.02386	2.8
267.11142	0.4
267.13574	0.4
271.09586	0.8
274.04691	0.9
275.01865	16.9
276.02164	0.8
285.00342	14.0
285.03857	1.9
285.07166	0.4
285.11823	0.5
285.14865	1.1
286.00851	1.0
303.01346	100.0
303.04993	76.6
303.15475	1.2
304.01675	5.3
304.05344	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
63.64587	0.2
65.03935	0.6
67.01849	0.3
67.04607	0.2
67.05503	0.2
68.99791	1.9
69.03409	0.3
70.41174	0.5
70.41549	0.2
75.08061	0.2
81.03417	0.7
93.03413	0.6
95.04961	0.8
107.04954	0.2
109.02872	1.1
111.00815	2.0
117.07024	0.6
121.02872	2.3
123.04455	0.6
127.03909	0.4
131.04985	0.3
133.06525	0.2
135.04408	0.3
137.02347	7.5
137.03372	0.5
145.02834	0.3
145.06485	0.7
149.02325	1.0
151.03944	0.2
153.01831	9.5
154.72749	0.2
155.04913	0.9
155.06050	0.3
159.04442	0.2
161.06009	0.6
163.03931	1.2
165.01834	4.3
166.02629	0.5
171.04497	0.2
173.05968	1.3
177.01872	0.2
177.05533	0.3
179.03473	0.2
183.02884	1.4
183.04428	0.8
187.03879	1.2
191.03363	0.3
195.02939	0.4
201.05455	4.2
205.05014	0.4
207.02904	0.3
211.03838	0.4
213.05479	0.3
219.02943	0.2
219.06546	0.6
219.47339	0.2
228.04176	0.6
229.04968	10.0
230.05339	0.3
232.03508	0.2
239.03522	0.4
247.06009	1.5
257.04449	4.4
258.04993	0.3
274.04794	1.5
275.05530	0.5
285.03915	2.4
303.04987	100.0
304.05310	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01867	0.4
65.03934	0.6
65.81567	0.1
67.01867	0.2
67.05496	0.3
68.38931	0.2
68.99789	2.2
81.03414	0.7
91.05473	0.2
93.03408	0.7
95.01270	0.2
95.04971	0.8
105.03380	0.2
107.04962	0.2
109.02867	1.0
110.03586	0.2
111.00808	2.1
115.05447	0.2
117.07002	0.3
119.04959	0.2
121.02875	1.8
123.04422	0.6
127.03924	0.4
131.04936	0.3
132.31331	0.2
133.02814	0.2
133.06511	0.2
135.04411	0.6
137.02350	8.3
137.03426	0.5
145.02820	0.2
145.06487	0.7
147.04405	0.3
149.02336	1.0
153.01831	10.0
154.02223	0.2
155.04912	0.9
155.06010	0.2
157.06506	0.2
159.04390	0.3
161.06006	0.8
163.03893	1.4
163.07710	0.2
165.01840	3.6
166.02554	0.5
173.02275	0.2
173.05989	1.5
177.01811	0.2
177.05531	0.3
179.03368	0.5
183.02890	1.6
183.04454	1.1
184.05153	0.1
187.03928	0.9
191.03415	0.4
191.07047	0.2
195.02893	0.5
201.05469	4.3
202.05824	0.2
203.03380	0.2
205.04984	0.3
207.02858	0.3
211.03938	0.2
213.05481	0.4
215.03432	0.1
219.02960	0.2
219.06552	0.5
228.04152	0.6
229.04974	8.8
229.35480	0.2
230.05222	0.3
239.03380	0.4
245.04526	0.1
247.06061	1.1
253.04089	0.1
257.04449	5.0
258.05093	0.2
274.04752	1.2
275.05521	0.3
285.03961	2.2
286.04480	0.2
291.21130	0.2
303.04987	100.0
304.05350	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75690	0.1
52.79533	0.1
53.03942	0.2
55.01871	0.5
65.03938	0.7
65.35804	0.1
67.01872	0.5
67.05495	0.5
68.99445	0.2
68.99793	3.1
69.03429	0.3
70.56615	0.3
71.01346	0.1
78.41985	0.1
81.03416	0.8
81.07036	0.3
84.61785	0.1
86.37807	0.2
91.05485	0.3
93.03407	1.0
93.07071	0.2
95.04955	0.9
97.02899	0.2
105.03397	0.3
105.07034	0.4
107.04961	0.2
109.02889	1.2
110.03685	0.2
111.00811	2.3
115.05431	0.2
117.07001	0.4
119.04970	0.2
121.02874	2.6
123.04427	0.8
127.03921	0.6
129.06993	0.2
131.04933	0.7
133.02820	0.2
133.06516	0.1
135.04410	0.6
137.02351	9.3
137.03403	0.6
137.06013	0.2
145.02829	0.3
145.06471	1.0
146.71866	0.1
147.04456	0.2
149.02339	1.2
151.03917	0.2
153.01834	11.3
154.02220	0.3
155.04933	1.4
155.06049	0.2
157.06517	0.3
159.04425	0.3
161.05998	0.7
163.03911	1.4
165.01848	4.4
166.02640	0.7
173.02451	0.2
173.06003	2.1
177.01840	0.3
177.05475	0.2
179.03358	0.4
183.02885	1.6
183.04456	1.1
187.03909	1.1
191.03427	0.4
191.06984	0.2
193.04959	0.2
195.02966	0.5
200.04712	0.2
201.05469	4.6
202.05843	0.3
205.04996	0.6
207.02943	0.2
211.03902	0.5
211.27979	0.1
213.05495	0.3
215.03419	0.3
217.04985	0.2
219.02911	0.3
219.06506	0.5
228.04233	0.7
229.04973	10.3
230.05347	0.5
232.03625	0.2
233.04483	0.3
239.03403	0.4
245.04561	0.3
246.05286	0.2
247.06013	1.4
257.04465	5.9
258.04880	0.4
274.04669	1.6
275.05438	0.5
285.03958	2.8
286.04462	0.2
303.04996	100.0
304.05356	5.1
304.08893	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.01878	0.4
65.03938	0.7
67.01871	0.5
67.05511	0.4
68.99797	2.8
69.03423	0.2
70.44681	0.3
71.36370	0.2
81.03409	0.9
91.05475	0.4
93.03384	0.6
95.04993	1.0
105.03426	0.3
105.07011	0.2
107.04936	0.2
107.16142	0.2
109.02878	1.2
111.00826	2.3
117.07019	0.3
119.04902	0.3
121.02863	2.6
123.04417	1.0
126.03174	0.2
127.03938	0.7
131.04926	0.7
133.02858	0.3
135.04422	0.7
137.02350	9.5
137.03400	0.5
137.05974	0.4
138.02724	0.2
143.04910	0.2
145.06480	0.6
149.02359	1.0
151.03943	0.3
151.07559	0.3
153.01831	12.0
154.02232	0.2
155.04912	1.3
155.06004	0.3
155.08621	0.2
159.04408	0.3
161.05954	0.8
163.03906	1.5
165.01845	4.3
165.06993	0.3
166.02585	0.7
167.03343	0.2
173.02409	0.2
173.06009	1.7
177.01901	0.3
177.05499	0.2
179.03334	0.4
183.02888	1.8
183.04451	1.1
183.08092	0.5
185.05960	0.3
187.03870	0.9
191.03436	0.4
191.07021	0.2
195.02849	0.5
200.04750	0.2
201.05475	5.1
202.05746	0.2
205.04953	0.5
207.02956	0.2
211.03984	0.4
211.07545	0.7
213.05527	0.5
215.03358	0.2
219.02824	0.2
219.06544	0.5
228.04182	0.5
229.04964	10.6
230.05363	0.5
232.03584	0.2
239.03395	0.4
239.07048	0.2
243.10222	0.2
246.05247	0.2
247.06052	1.4
256.03717	0.2
257.04440	5.7
258.04797	0.4
271.09705	0.5
274.04730	1.6
275.05408	0.3
285.03970	2.5
302.21457	0.2
303.04993	100.0
304.05307	5.2
309.77325	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03937	0.2
55.01870	0.5
64.89433	0.2
65.03942	0.8
67.01846	0.3
67.05501	0.4
67.44511	0.2
67.44933	0.2
68.99791	2.7
69.03436	0.3
70.56175	0.4
81.03409	0.9
81.32836	0.2
81.39740	0.2
93.03381	0.7
95.04982	1.0
98.23392	0.2
103.05424	0.2
105.03390	0.2
107.01247	0.2
107.04944	0.3
109.02872	1.2
111.00806	2.1
111.04428	0.2
115.05434	0.2
117.07005	0.4
121.02881	2.5
123.04421	0.7
127.03938	0.4
128.06184	0.2
130.06512	0.8
131.04929	0.5
132.04453	0.3
133.02794	0.2
135.04388	0.6
137.02342	8.8
137.03365	0.5
138.02628	0.2
138.32083	0.2
145.02818	0.2
145.06488	0.8
149.02365	1.0
153.01828	11.7
154.02188	0.3
155.04910	1.4
155.06047	0.3
157.06459	0.3
158.05972	0.4
159.04430	0.5
161.06017	0.8
163.03905	1.4
165.01826	4.4
166.02580	0.5
167.47806	0.1
173.05984	1.7
175.08644	0.2
177.01802	0.4
177.05431	0.4
179.03418	0.4
183.02878	1.8
183.04436	0.9
185.07230	0.2
187.03900	1.4
191.03384	0.4
191.06992	0.3
195.02875	0.6
201.05461	5.3
202.05664	0.2
202.94151	0.2
205.04971	0.4
207.02893	0.4
211.03918	0.6
213.05457	0.3
215.03436	0.3
219.02953	0.4
219.06566	0.4
228.04239	0.7
229.04965	10.1
230.05376	0.7
232.03706	0.2
239.03470	0.4
245.04547	0.3
246.05276	0.2
247.05989	1.5
257.04428	5.3
258.04834	0.3
274.04727	1.4
275.05429	0.5
285.03906	2.6
286.04547	0.3
303.04980	100.0
304.05295	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01870	0.5
65.03935	0.6
67.01865	0.5
67.05505	0.3
68.99449	0.2
68.99794	2.6
69.03426	0.2
70.33102	0.5
81.03415	0.8
91.05509	0.2
93.03419	1.1
95.04967	1.0
107.04981	0.2
109.02881	1.3
110.03687	0.2
111.00813	2.4
115.05492	0.2
117.06997	0.5
119.04973	0.2
119.46568	0.2
121.02877	3.0
123.04436	1.0
127.03898	0.7
131.04922	0.4
135.04408	0.8
137.02353	9.8
137.03403	0.7
145.02837	0.2
145.06474	1.0
149.02336	1.1
153.01836	12.1
154.02139	0.3
155.04875	1.1
155.06012	0.2
159.04485	0.4
161.05991	0.7
163.03941	1.5
165.01833	3.9
166.02574	0.6
173.06012	1.7
177.01805	0.2
177.05475	0.3
179.03383	0.5
183.02892	1.6
183.04451	1.3
187.03918	1.0
191.03374	0.4
191.07001	0.2
195.02881	0.6
198.40572	0.2
201.05490	5.3
202.05782	0.4
203.03200	0.2
205.04984	0.4
207.02898	0.2
211.03934	0.5
213.05458	0.5
215.03401	0.4
217.04971	0.2
219.02927	0.5
219.06534	0.6
228.04179	1.0
229.04962	10.9
230.05202	0.5
231.03084	0.2
233.04562	0.2
239.03397	0.3
245.04379	0.3
246.70168	0.2
247.06032	1.5
256.03714	0.2
257.04468	6.3
258.04813	0.4
274.04672	1.4
275.05460	0.5
285.03979	2.8
286.04422	0.3
303.04993	100.0
304.02100	0.3
304.05341	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
65.03937	0.8
67.01859	0.5
67.05486	0.3
68.99795	3.1
69.00163	0.1
69.03431	0.3
71.10500	0.2
71.10843	0.1
81.03407	0.9
93.03416	0.6
95.04983	0.9
97.02866	0.2
103.05444	0.2
105.03377	0.2
107.04951	0.3
109.02867	1.2
110.03701	0.2
111.00807	2.0
114.89333	0.2
115.05493	0.2
117.06977	0.2
121.02858	2.5
123.04383	0.8
127.03903	0.5
127.05357	0.2
129.06976	0.2
131.04924	0.5
135.04402	0.7
137.02347	8.1
137.03377	0.4
137.06122	0.2
138.02718	0.3
145.02879	0.3
145.06465	0.8
149.02335	0.8
151.03995	0.2
153.01831	11.6
154.02177	0.2
155.04877	1.2
159.04478	0.3
161.05949	0.7
163.03877	1.7
163.07646	0.2
165.01839	3.9
165.59262	0.2
166.02570	0.5
167.03337	0.2
173.02402	0.2
173.05977	1.9
177.05554	0.2
179.03351	0.4
183.02904	1.4
183.04449	1.1
187.03954	1.0
191.03394	0.4
191.07077	0.2
195.02882	0.4
201.05469	4.7
202.05847	0.2
202.33157	0.2
204.10579	0.2
205.05031	0.5
207.02878	0.2
211.03911	0.5
213.05399	0.2
215.03380	0.2
219.02856	0.2
219.06496	0.6
228.04156	0.6
229.04961	10.5
230.05322	0.4
232.03566	0.3
239.03548	0.4
246.05168	0.2
247.06027	1.4
257.04456	6.2
258.04880	0.2
274.04761	1.4
275.05447	0.6
285.03983	2.4
303.04990	100.0
304.05319	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70526	0.2
55.01857	0.4
58.13971	0.2
61.93246	0.2
65.03941	0.7
66.57847	0.2
67.01858	0.4
67.05521	0.3
68.99791	2.5
78.66642	0.2
81.03419	0.6
89.80848	0.2
91.05452	0.2
93.03412	0.8
95.04965	0.8
103.05477	0.2
107.04982	0.3
109.02871	1.0
111.00813	2.0
115.05478	0.4
117.07057	0.5
121.02876	2.1
123.04452	1.0
127.03937	0.4
129.07053	0.2
131.04964	0.5
133.02849	0.2
135.04459	0.5
137.02359	8.5
137.03381	0.6
145.02901	0.3
145.06493	1.0
149.02327	0.8
153.01834	10.3
155.04930	1.1
155.06059	0.3
157.02531	0.2
157.06454	0.2
159.04431	0.4
161.05992	0.7
163.03893	1.2
165.01840	4.6
166.02545	0.5
173.06010	1.4
177.05542	0.2
179.03438	0.3
183.02878	1.4
183.04459	0.8
187.03909	1.0
191.03450	0.5
195.02969	0.7
200.80339	0.2
201.05486	4.3
202.92300	0.2
205.05026	0.3
207.02963	0.2
213.05409	0.3
215.03366	0.3
219.02908	0.4
219.06561	0.6
228.04190	0.6
229.04973	10.3
239.03404	0.4
247.05966	1.3
257.04456	5.6
258.05109	0.2
267.02878	0.2
274.04749	1.4
275.05502	0.3
285.03940	2.7
303.04999	100.0
304.05328	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01863	0.5
65.03934	0.8
67.01848	0.5
68.99794	2.7
69.14978	1.4
69.15380	0.6
72.41978	0.3
78.24667	0.3
81.03416	0.8
84.31794	0.2
91.05530	0.3
93.03426	0.7
95.04995	0.9
99.36527	0.3
107.04993	0.4
109.02883	1.1
111.00821	2.3
111.04437	0.2
115.05495	0.4
117.07007	0.6
118.35138	0.3
121.02854	2.8
123.04440	0.6
124.18490	0.3
127.03885	0.5
131.04936	0.7
134.95291	0.3
135.04395	0.6
137.02348	7.2
137.03381	0.6
145.06467	0.9
149.02350	0.5
153.01828	11.5
154.02225	0.4
155.04897	0.9
161.05997	0.9
163.03944	1.6
165.01849	4.4
166.02623	0.7
169.99933	0.3
173.05995	1.4
177.05417	0.4
179.03398	0.5
183.02884	1.7
183.04440	1.6
187.03911	1.0
195.02841	0.4
201.05489	4.6
207.02902	0.3
211.03961	0.6
219.06580	0.5
228.04224	0.5
229.04956	10.6
230.05345	0.3
239.03424	0.4
247.06064	1.1
257.04453	5.2
258.04861	0.3
274.04800	1.5
275.05362	0.4
285.03949	2.4
286.04590	0.3
303.04993	100.0
304.05307	5.0
310.45474	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.20634	0.2
55.01871	0.4
65.03928	0.6
67.01855	0.5
68.99789	3.1
81.03417	0.7
85.52835	0.3
85.97408	0.2
93.03398	0.7
95.04967	1.1
105.03419	0.4
109.02891	1.1
111.00811	1.7
115.05452	0.3
117.07001	0.6
121.02869	2.6
123.04441	0.7
127.03851	0.5
128.06207	0.3
131.04945	0.5
133.02951	0.2
135.04373	0.6
137.02351	8.4
137.03375	0.6
145.06491	1.0
149.02332	1.0
153.01826	11.8
155.04901	1.3
158.96707	0.2
161.06012	0.7
163.03885	1.2
165.01834	4.6
166.02612	0.6
173.02303	0.3
173.05978	1.6
177.01785	0.4
179.03362	0.6
183.02905	1.8
183.04430	0.9
187.03903	1.0
191.03351	0.3
191.06992	0.3
195.02885	0.3
201.05467	5.4
202.05945	0.3
205.05093	0.4
215.03363	0.3
219.06607	0.6
228.04231	0.4
229.04965	10.2
230.05263	0.5
239.03471	0.7
247.06061	1.5
256.03717	0.3
257.04456	4.9
258.04916	0.4
274.04712	1.6
275.05487	0.4
285.03925	2.7
303.04993	100.0
304.05368	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	303.05
Annotation	Bracteatin
Peak:m/z	Relative Intensity
51.02388	1.1
55.05511	1.6
67.05507	0.8
68.99785	1.5
69.03419	0.8
69.07074	1.7
70.06586	3.6
71.06915	1.0
71.29960	0.7
72.08160	12.9
73.08489	1.8
75.13709	0.6
79.01850	8.5
84.08147	0.6
86.09707	28.0
87.10027	3.5
91.05502	1.1
93.07036	0.7
95.04955	1.5
97.02887	2.1
107.01314	2.2
107.04937	1.1
110.07172	2.0
111.00801	0.7
112.83442	0.6
117.03413	0.7
118.08663	1.2
121.02877	1.8
123.04433	14.5
125.02331	3.7
133.02899	0.7
135.04431	0.8
137.02356	1.5
143.03392	11.1
144.08084	0.7
145.02844	1.6
147.04405	1.3
149.02348	1.2
151.03912	26.5
153.01836	100.0
153.02936	7.9
154.02171	2.5
157.02808	1.0
157.13348	4.3
158.13687	1.0
163.03912	1.3
165.01839	0.9
172.07706	1.1
173.02321	3.8
175.03990	0.8
177.01828	4.5
185.02289	0.8
185.12880	1.7
185.16542	5.5
186.16826	2.5
189.12338	1.0
191.03369	2.9
201.01834	7.4
201.05493	1.3
203.03343	1.0
203.13873	0.7
205.01347	0.7
213.16060	1.6
219.02879	2.5
229.01312	6.5
229.04970	3.4
231.02875	1.4
247.02371	6.4
247.06155	0.8
257.00842	11.8
257.04410	2.6
259.02423	1.4
275.01886	11.6
275.04938	1.1
276.02194	1.0
285.00339	8.0
303.01352	68.3
303.04990	27.6
304.01736	3.1
304.05066	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92005	0.1
53.03948	0.2
55.01867	0.3
65.03938	0.4
67.01859	0.5
67.05497	0.3
68.99791	2.5
69.03406	0.3
69.20239	0.2
69.20653	0.5
70.08590	0.1
71.01366	0.2
71.99648	0.1
79.05456	0.1
81.03416	0.9
87.36034	0.1
91.05435	0.2
93.03394	0.6
95.04971	0.9
98.23338	0.2
103.05452	0.2
105.03388	0.2
107.04961	0.3
109.02857	1.3
111.00800	2.0
111.04427	0.1
115.05441	0.3
117.07014	0.3
121.02866	2.3
123.04417	0.8
127.03905	0.6
128.06223	0.2
129.07033	0.1
131.04898	0.5
133.02882	0.1
133.06465	0.1
135.04416	0.6
137.02344	8.3
137.03397	0.6
138.02658	0.1
143.04912	0.2
145.02824	0.2
145.06462	0.8
149.02347	0.9
151.03970	0.1
153.01823	11.4
154.02124	0.2
155.04912	1.1
155.06021	0.2
157.06509	0.2
159.04378	0.2
161.02251	0.2
161.05975	0.8
163.03917	1.5
165.01839	3.6
166.02620	0.6
173.02411	0.2
173.05971	1.7
177.01826	0.2
177.05469	0.2
179.03392	0.5
183.02885	1.4
183.04446	1.3
184.05017	0.1
185.05977	0.1
187.03902	1.0
191.03386	0.3
191.07057	0.3
195.02875	0.5
201.05467	4.7
201.07350	0.2
205.04962	0.4
207.02820	0.3
211.03821	0.3
213.05493	0.3
215.03374	0.2
217.05028	0.2
219.02931	0.3
219.06555	0.7
228.04236	0.6
229.04951	9.3
230.05304	0.4
232.03786	0.2
233.04355	0.2
239.03371	0.5
245.04578	0.2
246.05244	0.1
247.06000	1.2
257.04453	4.8
258.04858	0.3
274.04730	1.3
275.05441	0.4
285.03940	2.3
286.04572	0.3
303.04971	100.0
304.05310	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
65.03935	0.4
66.92711	0.2
67.01865	0.3
67.05501	0.5
68.99796	1.3
69.03436	0.3
70.50884	0.3
79.05530	0.3
81.03426	0.5
81.07041	0.4
91.05500	0.3
93.03406	0.5
93.07047	0.2
95.04977	0.7
95.08626	0.3
103.05490	0.2
105.07051	0.5
107.08609	0.4
109.02888	0.7
109.10172	0.4
111.00812	1.4
117.06994	0.4
121.02879	1.6
123.04468	0.4
127.03876	0.2
131.04922	0.5
131.79529	0.2
133.10086	0.2
135.04451	0.5
137.01331	0.4
137.02347	5.2
137.03387	0.2
145.06482	0.4
145.10054	0.2
146.22269	0.2
146.97412	0.2
147.04393	0.3
149.02332	0.6
151.03947	0.2
153.01839	7.3
155.04909	0.8
155.06024	0.2
161.05978	0.3
163.03937	1.1
165.01857	2.8
166.02718	0.3
171.02908	0.2
173.02469	0.2
173.06000	0.7
177.01889	0.2
177.05536	0.3
179.03368	0.3
183.02905	1.2
183.04448	0.5
187.03928	0.8
191.03447	0.3
195.02844	0.3
201.01833	0.3
201.05496	3.4
205.04933	0.4
211.03995	0.3
215.03323	0.3
219.06485	0.5
228.04251	0.4
229.04988	7.5
230.05290	0.3
232.03757	0.2
239.03610	0.2
247.06050	1.0
257.00937	0.3
257.01385	0.4
257.04453	3.7
258.05112	0.2
274.04752	1.2
275.01901	0.2
275.05249	0.2
285.03900	1.7
285.12335	0.4
286.04352	0.2
294.87668	0.2
303.04993	100.0
303.23105	0.7
304.02408	0.2
304.05341	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93843	0.1
53.03937	0.2
55.01866	0.4
60.93655	0.1
65.03933	0.6
65.54346	0.1
67.01860	0.3
67.05499	0.4
67.14175	0.2
68.99791	2.4
70.56162	0.2
77.48731	0.1
81.03424	0.7
81.07077	0.2
87.36087	0.1
88.17737	0.1
91.05473	0.2
91.81072	0.1
93.03403	0.8
93.07079	0.1
93.94415	0.1
95.04969	0.8
98.58724	0.1
103.05471	0.2
105.03403	0.2
105.07014	0.3
107.04977	0.2
109.02875	1.1
109.10168	0.2
110.03688	0.1
111.00806	2.2
115.05419	0.3
117.06984	0.3
121.02863	1.9
123.04426	0.8
127.03969	0.3
131.04855	0.3
133.06462	0.2
133.10199	0.1
135.04446	0.7
137.02347	7.2
137.03383	0.4
145.02866	0.3
145.06517	0.8
147.04408	0.2
149.02342	1.0
153.01828	10.5
154.02234	0.3
155.04909	1.2
155.06062	0.3
157.06425	0.2
159.04399	0.3
161.05988	0.7
163.03925	1.4
165.01840	3.5
166.02606	0.6
167.87994	0.2
173.02383	0.2
173.05965	1.2
177.05553	0.3
179.03378	0.4
183.02875	1.6
183.04420	1.1
187.03882	1.0
191.03418	0.4
195.02930	0.7
199.64626	0.2
201.05461	4.4
205.04927	0.4
211.03877	0.3
213.05386	0.2
219.02995	0.4
219.06450	0.5
228.04167	0.5
229.04968	9.2
230.05351	0.4
233.04442	0.2
239.03345	0.5
245.04274	0.2
246.05110	0.3
247.06023	1.3
252.86017	0.2
257.04456	5.1
258.04752	0.3
261.03864	0.2
267.02866	0.2
274.04718	1.4
275.02029	0.2
275.05411	0.4
285.00851	0.2
285.03928	2.2
286.04547	0.3
303.04977	100.0
304.02206	0.2
304.05307	4.8
312.95352	0.1
318.92212	0.2
323.06161	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01871	0.4
65.03934	0.7
65.24649	0.2
67.01855	0.3
67.05503	0.3
68.99794	3.2
69.03426	0.4
71.08651	0.2
73.81832	0.2
81.03403	0.9
84.04493	1.1
88.11259	0.7
89.03914	0.2
90.91302	0.2
91.05457	0.5
93.03374	0.9
95.04984	1.3
98.06051	1.5
103.05441	0.2
105.03377	0.3
105.06996	0.2
107.04932	0.3
109.02885	1.0
111.00807	2.5
117.07017	0.5
118.76875	0.2
119.04933	0.2
121.02872	2.3
123.04403	0.8
127.03896	0.4
130.04955	0.6
131.04916	0.4
131.75116	0.2
135.04382	0.7
135.08076	0.2
137.02348	8.0
137.03374	0.6
141.63240	0.2
145.02820	0.7
145.06537	1.1
145.07471	0.2
147.04372	0.3
149.02383	1.0
153.01831	12.8
154.02161	0.2
154.12253	1.2
155.04942	1.1
155.06000	0.2
161.05956	0.7
163.03900	1.9
165.01839	4.6
166.02544	0.4
173.02406	0.9
173.06021	1.9
175.03976	0.2
177.01768	0.3
179.03386	0.6
183.00790	0.3
183.02863	1.8
183.04401	1.2
187.03867	1.4
191.03426	1.1
191.06937	0.2
192.03929	0.3
195.02974	0.4
200.04594	0.2
201.01814	1.9
201.05484	5.0
203.03510	0.3
204.93521	0.3
205.01373	0.2
205.05054	0.5
207.02907	0.6
211.03850	0.6
213.01762	0.4
213.05440	0.2
215.03273	0.2
217.04964	0.2
219.03018	1.0
219.06448	0.6
227.15834	0.2
228.04153	0.9
229.01561	1.4
229.04958	10.5
230.05278	0.6
231.02852	0.4
239.03397	0.4
245.04509	0.4
247.02406	1.5
247.06056	1.2
257.00803	2.6
257.04398	5.6
257.14926	0.3
258.04745	0.3
259.02243	0.2
274.04770	1.6
275.01965	2.3
275.04968	0.4
285.00275	2.1
285.03888	2.8
303.01410	13.1
303.04935	100.0
304.01706	0.9
304.05280	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	303.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68800	0.8
53.91668	0.7
56.05034	0.8
56.96565	48.3
57.30409	0.7
58.99857	0.7
68.99800	1.9
70.06602	3.1
71.27822	0.9
71.28203	1.2
71.95255	1.4
72.08162	3.3
74.06089	0.9
74.97616	1.7
77.34770	0.9
77.65013	0.8
79.01869	1.1
79.05461	0.7
83.06114	0.9
83.97659	1.2
84.04505	0.9
84.08154	3.8
86.09696	6.5
87.10039	1.2
88.04011	1.0
89.03911	0.8
89.40629	0.7
93.09600	0.7
96.45020	0.9
97.99210	1.6
98.97589	14.4
110.07159	6.9
116.00212	2.2
116.98622	8.2
120.08047	0.9
121.02905	1.4
123.04448	2.1
125.02366	0.8
129.10269	0.9
130.08621	1.2
132.08095	5.3
132.10228	1.0
134.99660	4.5
141.05469	0.8
143.03438	1.8
144.08066	1.0
145.02840	1.6
147.04417	0.9
149.02415	2.3
150.03084	1.2
151.03947	3.0
153.01819	17.6
156.07738	2.3
159.11305	1.3
163.03918	2.6
165.01973	1.4
167.03851	1.1
173.02333	2.0
173.05954	1.4
174.02269	26.3
175.02562	1.1
175.11945	1.1
178.01852	1.0
188.03789	3.7
191.03387	3.7
192.03319	46.8
197.03923	1.0
201.01851	4.7
201.05458	2.1
202.01894	1.4
203.03459	1.4
204.03400	3.6
206.04874	9.7
207.02074	2.5
208.02788	1.5
210.04385	9.8
214.86320	0.8
215.04922	17.2
216.03394	1.4
217.06474	5.9
218.01193	1.5
219.02913	3.3
220.02818	6.0
220.14195	0.9
222.04370	6.6
224.05977	2.8
226.03972	0.9
229.01271	2.5
229.02943	2.2
229.04895	8.5
231.04552	2.3
233.05997	11.3
235.07510	9.1
236.02321	2.4
238.03831	1.8
240.05424	1.4
243.04417	7.2
247.04288	5.0
249.05406	1.8
254.02911	0.8
257.00803	6.9
257.04434	5.4
258.04395	4.4
261.05478	100.0
262.05920	3.9
265.05017	1.7
275.01846	7.3
276.02551	0.8
276.05487	2.6
279.06525	69.2
280.06863	2.8
284.07111	3.0
285.00296	3.5
285.13312	0.8
286.03970	1.3
302.21808	1.8
303.01379	33.9
303.05048	88.4
303.22412	1.1
304.01746	2.1
304.05350	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	303.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.30714	0.6
61.53122	0.6
63.58041	0.6
64.05751	0.5
65.03922	0.6
65.19448	0.5
66.75834	0.6
67.05501	2.1
68.99798	2.4
69.07059	1.6
69.76057	1.1
69.76441	1.2
71.04993	1.7
76.84817	0.6
77.18993	0.6
79.05509	1.8
81.03393	0.8
81.07066	5.1
82.38297	0.5
83.04981	1.2
83.08627	0.6
91.05486	1.5
93.07059	3.3
95.04968	2.3
95.08042	0.5
95.08636	3.1
97.20130	0.5
98.22648	0.6
105.07034	2.7
107.08598	5.2
109.02882	1.0
109.10160	2.7
111.00802	1.9
112.07610	2.2
117.07001	0.7
119.08571	2.8
121.02857	2.2
121.10148	1.9
123.04428	1.6
123.11714	1.3
131.04929	0.8
131.08559	1.0
133.10149	1.4
135.04414	0.7
135.08018	0.8
135.11720	4.4
137.02371	7.9
137.03407	1.1
137.09619	0.8
143.08646	0.7
145.06554	0.8
145.10127	1.6
147.11694	1.0
149.02351	1.6
150.91803	0.5
151.11105	0.7
153.01834	13.2
155.04916	1.4
159.11697	0.9
161.05971	0.7
163.03915	1.4
165.01842	3.3
171.11769	0.7
173.06017	1.4
175.14854	1.4
183.02895	1.7
183.04385	0.9
187.03938	0.8
193.15819	1.0
199.14842	1.1
201.05434	4.7
209.00652	0.7
228.04213	1.0
229.04979	11.6
230.05417	1.0
234.61235	0.5
239.03474	0.8
247.06020	1.5
257.04532	3.9
274.04672	1.2
275.05295	0.6
285.00714	0.6
285.03922	3.0
285.22125	0.9
303.04987	100.0
303.23077	4.0
304.05255	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	303.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
56.05042	3.9
68.05051	0.4
68.99783	1.0
69.03436	1.0
69.07063	0.7
69.14807	3.0
70.06602	6.1
71.08637	10.0
72.08141	0.4
78.52996	0.3
81.07056	0.6
83.06120	1.9
83.32930	0.3
84.04509	63.6
85.02900	0.6
85.04838	1.0
85.88686	0.3
86.06059	2.4
86.09710	1.0
87.00856	1.8
88.11274	55.6
89.11619	0.8
91.05472	0.8
98.06060	100.0
99.06388	1.6
102.05525	0.6
107.04964	2.7
110.07197	0.5
111.00813	0.4
117.03371	0.7
121.02870	0.5
124.03949	1.5
126.05563	0.5
130.05009	36.1
131.01328	0.5
131.05376	0.4
135.04373	0.7
137.02341	1.0
142.05003	1.6
145.02844	1.3
147.04445	0.6
152.03432	10.3
153.01833	1.6
153.13864	5.2
154.12273	91.1
155.12666	2.2
157.02869	0.7
160.07655	0.4
163.03909	1.2
165.01880	0.8
170.04483	1.6
171.14941	16.3
172.05989	0.4
172.15262	1.0
173.02353	2.7
183.00816	0.8
191.03430	2.1
197.12878	3.0
198.03993	9.1
199.14424	7.5
200.12830	6.2
201.01822	6.1
201.05450	0.7
202.02022	0.4
203.03412	1.0
207.02928	0.6
213.01875	0.9
213.15962	1.5
216.05078	0.6
217.15480	4.3
219.02968	1.9
229.01338	5.2
229.04802	2.3
231.02979	0.9
239.13872	2.2
241.01421	0.6
243.13330	1.8
247.02380	5.9
256.98111	0.7
257.00824	10.1
257.04477	0.9
257.14975	22.6
258.01309	0.6
258.15103	0.9
259.02399	1.6
267.13394	2.5
275.01865	9.2
276.02368	0.6
285.00345	8.3
285.03522	0.8
285.11615	0.5
285.14496	8.5
286.00842	0.4
303.01315	55.4
303.04962	18.6
303.15488	9.9
304.01645	3.9
304.05344	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	303.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	4.0
66.14481	0.8
67.05495	0.9
68.99799	0.9
69.03442	1.0
69.07068	1.2
70.06601	6.9
70.42971	1.6
70.43855	0.9
71.08634	10.9
80.46085	0.7
83.06107	2.1
84.04509	65.0
85.02911	0.8
85.04844	1.6
86.06077	2.2
87.00813	2.1
88.11273	48.9
95.08595	1.1
98.06057	100.0
99.06384	1.4
102.05596	0.8
124.04000	0.9
130.04021	1.8
130.05006	35.0
142.05049	1.0
145.02908	1.9
147.04469	1.2
152.03436	10.1
153.01860	1.2
153.13887	3.7
154.12270	90.1
155.12607	2.2
163.03975	1.0
170.04567	1.5
171.14920	14.1
172.13391	1.1
173.02420	2.3
175.03941	0.9
191.03427	1.7
197.12956	2.5
198.04004	8.2
199.14474	6.8
200.12805	4.9
201.01794	6.2
213.16013	1.0
217.15491	3.8
219.03035	1.1
229.01302	5.2
229.04880	1.1
231.02968	1.3
239.13989	1.8
243.13458	2.2
247.02350	3.9
257.00833	10.6
257.14984	19.7
258.01178	0.9
258.15295	0.9
259.02325	1.2
267.13504	2.4
275.01855	9.2
285.00278	7.9
285.14594	8.2
303.01422	55.6
303.05008	9.3
303.15506	9.9
304.01764	4.1
304.05219	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	303.1956
Annotation	Epimestrol
Peak:m/z	Relative Intensity
53.03948	1.2
55.01872	1.7
55.05507	4.9
55.41325	0.7
57.03439	0.7
58.31023	0.7
59.04997	3.4
64.71938	0.6
65.03940	0.8
67.05250	0.8
67.05516	8.2
68.95254	0.7
68.99789	2.3
69.03426	1.1
69.07069	7.6
70.34287	2.3
71.04973	0.8
75.58997	0.7
79.05505	4.9
81.03413	1.5
81.07059	11.5
83.04993	1.3
83.08596	2.1
85.06541	2.6
91.05475	7.5
93.07038	9.8
95.04984	4.5
95.08611	14.2
97.06535	7.7
97.10152	1.0
99.04486	1.1
99.26926	0.7
103.05462	2.2
105.06382	1.2
105.07037	16.6
107.04927	0.9
107.08596	9.1
109.02892	1.0
109.06530	6.3
109.10161	19.1
111.00830	3.5
111.08066	0.8
115.05451	1.0
117.07014	3.3
119.04940	1.5
119.08591	12.6
121.02853	2.6
121.06513	17.3
121.10138	4.8
123.04455	2.4
123.08044	1.8
123.11690	2.0
128.06258	0.8
129.07019	2.6
131.04950	1.9
131.08569	7.8
133.10130	7.2
135.04417	1.9
135.08064	8.0
135.11694	2.8
137.02365	7.5
137.05994	4.7
137.09691	0.7
137.13268	1.2
141.07013	2.6
142.07771	1.0
143.08589	5.9
145.02855	1.0
145.06487	2.0
145.10135	12.4
147.08055	5.3
147.11690	7.4
149.02390	0.9
149.05948	2.2
149.09602	2.7
149.13235	2.0
151.03900	1.6
151.07542	2.9
151.11147	0.8
153.01819	11.2
153.05559	1.0
153.06918	1.9
155.04951	1.6
155.08539	5.2
156.09277	0.9
157.06464	0.9
157.10146	9.3
158.10936	1.3
159.08054	11.4
159.11697	12.9
161.05969	1.4
161.09631	5.6
161.13261	9.0
163.03893	2.1
163.07607	1.8
163.11217	1.4
165.01807	3.7
165.05492	8.3
165.06996	4.2
165.09128	1.0
168.05739	2.4
169.10114	5.8
171.07957	0.8
171.11697	4.6
173.06001	2.3
173.09637	19.0
173.13255	14.0
173.58191	0.8
174.13629	0.8
175.07491	1.7
175.11200	3.1
175.14838	2.1
175.74072	0.8
177.05417	0.8
177.09259	1.0
181.06461	1.3
182.10832	1.0
183.02887	2.5
183.04443	1.7
183.08119	3.7
183.11630	7.4
185.09656	0.8
185.13306	2.6
187.03839	0.9
187.11171	5.4
187.14854	1.6
189.09024	0.9
189.12767	1.5
191.10632	1.0
196.05219	0.8
197.13263	7.0
199.14822	9.9
199.16507	0.9
200.15088	1.0
201.05476	5.6
201.12761	4.7
201.16380	1.2
203.10725	2.3
205.12215	0.8
211.07585	4.6
211.14861	3.0
212.15140	0.8
213.05499	1.1
213.16431	7.5
214.17078	1.5
215.10712	1.3
215.14325	3.0
215.17958	7.6
219.06488	1.0
219.13776	1.6
225.16411	1.1
228.04260	1.0
229.04976	11.5
229.15884	45.9
229.19223	4.7
230.16216	3.3
239.07141	1.3
239.17949	21.9
241.19531	1.3
243.10240	2.3
243.17424	1.7
247.06065	2.0
257.04443	6.8
257.19009	67.7
258.19299	4.6
267.17569	2.0
271.09787	3.6
272.10419	1.2
274.04639	1.2
275.16406	2.4
275.20081	2.4
285.03915	2.2
285.18488	16.7
286.18829	1.0
294.44205	0.8
303.04999	100.0
303.12256	2.6
303.19550	83.6
304.05295	8.1
304.19904	5.0
321.20499	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	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03953	2.7
55.05322	1.7
55.05515	20.3
57.03438	2.2
57.07067	6.3
59.05004	1.8
59.24777	1.7
67.05506	28.7
69.07072	38.5
69.10600	6.5
69.11008	5.5
71.04982	2.6
79.05492	17.4
81.07066	47.5
83.04996	3.5
83.08627	13.8
85.06525	2.0
91.05493	16.6
93.07043	49.0
95.04948	5.6
95.08607	70.2
97.06535	3.9
97.10178	8.8
105.07031	43.6
107.07856	4.0
107.08595	80.4
109.02886	2.2
109.06527	6.6
109.10159	63.4
111.08070	3.1
111.11727	3.0
113.06033	2.9
117.07037	5.1
117.18502	2.0
119.07779	3.4
119.08586	50.6
119.42950	1.7
121.06490	2.6
121.10149	64.5
123.08091	6.9
123.11717	19.1
125.05949	2.9
125.09615	2.2
131.08569	16.7
133.09200	3.5
133.10132	36.8
135.08122	2.4
135.11703	40.1
137.02373	4.7
137.09593	13.4
137.13274	6.1
141.09113	4.1
143.08583	2.3
145.06445	2.0
145.10146	29.8
147.08032	2.6
147.11690	39.6
149.09650	2.8
149.12167	2.4
149.13258	30.6
153.01843	7.5
153.09131	2.7
155.10699	13.3
157.10107	5.6
158.48311	2.1
159.11693	29.2
161.09639	2.8
161.13264	33.1
163.11157	3.4
163.14825	37.7
164.15181	2.6
169.63831	2.2
171.11703	4.5
173.13290	24.5
175.11182	3.4
175.14838	12.7
177.09166	1.9
177.16377	3.1
179.10602	2.9
185.13309	2.7
187.14795	24.6
189.12712	4.4
189.16385	8.0
191.17986	2.5
193.12276	5.4
197.13155	1.8
199.14859	4.7
201.05273	2.6
201.12764	3.6
201.16388	23.0
203.17995	27.1
205.12260	4.1
207.13705	9.7
211.14694	2.6
215.14360	2.6
215.17976	11.5
219.13828	5.7
221.15356	6.9
229.05011	5.3
229.15858	5.0
233.15425	10.8
243.17398	3.7
243.21080	20.3
247.16846	11.8
257.04688	1.9
257.22653	37.8
261.18436	3.8
267.21008	4.5
285.22125	20.3
303.01447	5.7
303.04990	54.2
303.15808	22.1
303.23172	100.0
304.05377	5.4
304.23465	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	303.2321
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03958	3.6
55.05513	24.2
55.57962	1.8
57.07073	6.4
62.66905	1.8
65.03939	2.6
65.93961	1.8
67.05513	32.0
68.99789	2.4
69.06728	3.1
69.07075	33.9
70.06596	2.4
70.84306	3.6
71.04996	4.9
71.08650	2.7
77.03931	2.0
79.05505	18.5
81.07066	44.7
83.04972	3.3
83.08620	14.5
85.06577	2.0
87.04448	4.7
88.07615	3.6
91.05492	17.9
93.07050	48.2
95.04969	7.9
95.08614	64.7
97.06516	5.0
97.10171	6.6
102.09170	5.3
105.07036	37.5
105.07687	3.7
106.07341	2.5
107.08607	65.4
109.06519	6.8
109.10162	57.1
110.10436	2.1
111.00808	1.8
111.11744	3.0
113.05983	3.5
115.07600	2.8
117.07009	6.3
118.25777	1.7
119.08589	63.2
121.06481	3.1
121.10159	58.1
123.08047	5.9
123.11710	16.7
126.55644	2.1
129.07057	2.2
131.08580	20.2
133.10132	38.4
133.11073	3.4
135.08116	2.9
135.11700	31.7
137.02341	5.4
137.09642	11.7
137.13228	5.7
139.07521	2.3
140.42436	2.1
141.09076	3.0
143.08539	4.6
145.02850	2.5
145.10149	29.5
147.08005	2.2
147.11700	35.3
149.06087	2.1
149.13286	26.5
151.07536	2.4
151.11163	2.1
153.01811	8.0
153.09053	2.3
155.10658	8.9
157.10132	6.4
158.10904	3.4
159.11707	30.4
161.13269	33.8
163.11140	2.9
163.14833	31.1
169.10146	3.1
171.11633	4.9
173.02393	1.8
173.09630	2.4
173.13286	25.4
175.11224	3.4
175.14825	13.8
177.05493	2.8
177.12759	3.8
177.16420	3.2
177.73137	1.7
183.11699	2.3
185.13277	2.7
187.14825	29.6
189.12735	3.1
189.16447	11.8
191.18016	2.4
193.12257	6.9
197.13293	3.5
199.14859	5.8
201.05423	2.2
201.12677	3.0
201.16391	17.6
203.17975	29.8
205.12312	2.8
207.13841	11.0
211.14836	3.4
213.16342	2.8
215.17905	10.6
219.13828	7.4
221.15359	5.9
229.04991	5.6
229.15915	4.2
233.15448	9.7
241.19507	2.3
242.24844	5.5
243.17422	2.6
243.21121	17.2
247.16974	13.6
257.01062	2.9
257.04337	4.1
257.22705	33.1
258.22906	2.6
261.18558	2.9
267.21051	3.9
285.03696	2.0
285.22128	19.8
303.01456	8.6
303.04984	76.4
303.08530	4.2
303.19919	3.5
303.23157	100.0
304.05316	4.9
304.23410	5.1
304.28445	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	303.232
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.84769	1.0
53.03939	1.8
55.05515	12.1
57.07077	6.8
67.05515	11.4
69.06732	2.0
69.07072	19.0
69.61073	2.3
69.61457	2.1
71.04972	2.1
74.06087	2.9
77.99230	1.1
79.05487	9.0
81.07060	22.2
83.08619	13.9
85.06526	1.9
88.07628	6.8
89.07984	1.9
91.05475	9.6
93.07040	17.8
95.04977	3.3
95.08607	24.7
97.06535	1.5
97.10165	4.4
105.07029	19.5
107.08593	28.6
109.06489	1.6
109.10157	19.4
111.11727	1.4
113.05986	2.5
119.08585	34.3
121.06527	2.5
121.10144	36.9
121.11029	2.2
123.08087	1.4
123.11713	24.8
125.05976	2.0
125.09705	1.3
126.31756	1.2
127.07478	1.3
131.08569	9.4
133.10135	30.8
135.11703	45.1
136.12094	1.3
137.02307	2.4
137.13254	6.0
139.07570	1.7
143.08527	1.2
145.10094	16.7
147.11679	18.6
149.09566	1.3
149.13281	8.7
151.14799	1.3
152.07066	1.1
157.10196	2.7
158.10950	2.2
159.11702	17.0
161.13277	12.3
163.07512	2.0
163.11185	1.6
163.14827	3.7
167.10643	1.7
169.10159	1.4
171.11740	2.7
172.12526	2.0
173.13271	22.6
174.14058	1.6
175.14822	35.3
176.15172	1.5
177.16344	1.5
181.12274	2.3
185.13310	3.5
187.14828	27.8
188.15381	1.5
189.12740	1.6
189.16380	25.1
190.17152	14.4
191.10764	1.4
191.17918	4.5
193.12265	2.2
195.13849	1.6
199.14822	2.1
201.12852	1.8
201.16423	11.1
203.14319	1.8
203.17992	12.3
207.13792	2.7
211.14825	1.9
213.16527	1.1
215.14397	1.5
215.17964	3.1
216.18355	1.1
217.19452	1.6
219.13814	3.4
221.15364	4.0
225.16499	1.3
229.04979	1.9
229.15788	1.6
233.15373	10.8
235.17046	1.5
241.19730	1.4
243.21100	49.7
244.21558	1.9
247.16913	11.7
256.26328	1.5
257.22662	15.5
258.23126	1.6
261.18518	2.5
267.21133	3.0
275.23709	1.9
285.22125	11.4
303.05118	12.6
303.08340	1.8
303.23193	100.0
303.27075	7.2
304.05347	1.4
304.23428	7.0
304.28580	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	304.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08321	0.2
55.01853	0.3
60.31414	0.2
65.03931	0.4
66.04267	0.3
67.01850	0.3
67.05508	0.4
68.02200	0.2
68.99792	1.7
69.03423	0.2
70.00117	0.4
70.64744	0.2
70.65051	0.2
81.03416	0.5
82.03731	0.2
86.09748	0.2
88.25366	0.1
92.02628	0.2
93.03410	0.4
94.03746	0.3
95.04964	0.5
96.05289	0.3
97.02887	0.2
107.01350	0.2
109.02874	0.8
110.03200	0.5
111.00799	1.4
112.01133	0.6
116.05804	0.2
117.06991	0.3
121.02876	1.1
122.03173	1.2
123.04400	0.3
125.01702	0.2
127.03883	0.6
132.05313	0.2
135.04413	0.2
137.01328	0.3
137.02364	3.8
137.03441	0.6
137.19214	0.2
138.02678	3.7
145.06564	0.3
146.06813	0.6
149.02316	0.7
150.02638	0.5
151.03906	0.2
153.01831	6.0
154.02162	4.6
155.02278	0.3
155.04861	0.5
156.05254	0.6
161.05954	0.3
162.06331	0.4
162.90392	0.2
163.03870	0.5
164.04262	0.7
165.01820	2.2
166.02174	2.1
173.05949	0.4
174.06314	1.3
178.05894	0.2
179.03413	0.3
180.03748	0.3
183.02858	0.8
183.04320	0.3
184.03229	1.0
184.04770	0.6
187.03886	0.2
188.04234	0.8
188.06992	0.3
201.05435	1.1
202.05794	3.6
212.04207	0.3
214.05870	0.3
216.03737	0.3
218.05211	0.2
220.03195	0.2
220.06805	0.4
229.04875	1.7
230.05302	7.6
231.05438	0.3
240.03802	0.4
247.05951	0.3
248.06346	1.0
257.04218	0.2
258.02316	0.3
258.04785	4.5
275.05093	1.6
276.05774	0.5
286.04266	2.5
287.04984	0.2
304.05313	100.0
305.05518	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	304.1656
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
55.05270	1.3
55.05513	14.7
57.05809	0.9
69.44888	2.8
69.45300	1.7
70.06597	1.4
72.08157	100.0
73.08492	1.1
81.03413	1.2
85.02878	1.1
98.06083	4.4
98.22655	1.0
99.09219	1.8
115.05478	2.9
116.07098	3.4
117.05759	2.4
117.07002	1.0
118.06534	6.4
127.03931	2.9
127.08672	3.9
130.06529	18.3
132.08090	41.3
133.08481	0.9
137.02350	11.7
139.03909	1.8
142.06526	7.7
143.07323	1.2
144.08086	30.1
145.08449	1.1
146.06012	30.1
147.04335	0.8
151.03909	2.1
154.02272	1.0
159.09180	66.6
160.07587	3.9
160.09523	2.1
170.06024	17.4
173.12839	1.5
174.02644	1.5
179.03499	1.1
186.75682	0.8
187.08627	1.1
188.07072	66.7
189.07376	2.4
202.02182	1.3
205.09731	48.7
206.10141	1.4
206.33379	0.7
213.13823	1.2
230.01726	1.8
230.05179	1.1
232.03142	1.0
248.02708	1.9
258.01154	3.1
258.16049	1.6
259.14456	3.0
276.02209	3.4
286.00681	2.6
287.13904	32.0
288.14191	2.4
304.01657	18.6
304.05313	12.3
304.16473	9.2
305.02121	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	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.05042	11.4
57.07082	8.5
58.06321	0.4
58.06605	6.8
60.04536	3.0
67.05517	0.6
68.05033	0.8
69.07056	0.7
70.06590	0.6
71.08628	3.7
71.28403	0.5
74.06090	9.7
79.05476	0.4
81.07059	0.5
85.10174	1.3
86.06071	1.5
86.09679	0.6
88.07639	42.0
90.05601	0.5
90.38437	0.4
90.53190	0.4
91.05419	0.5
93.07062	0.7
95.08612	1.1
98.05954	0.4
104.07111	0.9
105.07005	0.6
106.08608	0.5
107.08584	0.8
118.08672	6.5
122.07333	0.5
122.08152	7.3
125.09661	0.5
151.11273	0.4
207.56833	0.4
231.13493	0.4
242.24771	0.5
256.26367	35.3
257.26712	1.7
286.27466	2.5
304.05319	1.3
304.28473	100.0
305.21637	0.5
305.28790	6.6
317.91156	0.4
318.34668	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	305.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05664	20.8
70.06593	100.0
71.28492	24.5
84.04520	31.7
84.08148	36.4
92.19463	17.8
101.00902	49.0
112.08717	29.9
116.07100	24.2
119.01910	37.1
127.03965	26.7
137.41463	21.4
143.08221	22.5
145.03510	28.5
169.03537	24.5
175.11987	37.7
186.07652	18.3
187.04497	45.6
189.13455	34.7
213.02484	18.9
231.03178	18.9
304.16171	20.9
304.97653	19.7
305.06180	64.0
305.08841	35.6
305.14236	39.1
328.62781	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	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02376	0.7
53.54137	0.4
55.01884	0.6
65.03936	3.2
65.77537	0.5
67.01872	2.1
67.05506	2.1
68.99799	5.6
69.03441	1.8
69.32963	1.0
69.33381	1.8
76.77081	0.7
77.03923	1.2
81.03423	1.4
89.03940	0.5
93.03429	1.1
95.04973	4.2
97.02888	1.2
105.03413	2.4
107.04964	1.3
108.96599	0.5
109.02886	1.7
111.00803	1.8
111.04441	5.9
121.01990	0.8
121.02871	14.3
123.04436	68.0
124.01540	0.5
124.04768	1.8
127.03918	6.6
128.06255	0.7
129.07004	1.8
133.02859	3.0
135.04451	2.9
136.07553	0.9
137.02336	3.7
138.02696	1.0
139.02841	1.4
139.03911	6.2
139.05478	0.6
141.06985	0.6
145.06488	1.3
147.04388	2.5
149.02348	65.0
150.03090	2.6
151.03922	4.4
153.01833	100.0
154.02171	4.4
155.02293	2.0
155.04927	0.6
157.06517	5.0
160.05217	0.6
161.02344	7.7
161.05971	1.4
163.03925	1.1
165.01883	0.9
167.02145	1.1
167.03448	12.6
167.04869	1.3
169.06371	0.7
171.04369	0.8
173.05984	0.7
175.03876	0.8
175.07559	1.7
177.05286	0.6
179.03445	6.1
183.02849	0.7
185.05988	8.5
195.02902	16.9
196.03220	0.7
203.03365	2.5
203.05952	0.7
213.03612	1.1
213.05467	13.3
217.04941	0.6
229.04915	1.3
230.05142	0.6
231.06561	49.9
232.06812	1.7
241.04980	5.6
245.04292	0.6
257.04169	0.6
258.05148	2.4
259.06042	53.8
260.06372	2.3
287.05530	15.4
288.05798	0.8
305.05576	51.3
306.05841	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	305.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55186	1.4
52.55444	1.2
55.01874	14.8
56.05038	1.5
58.63153	1.3
61.02923	3.5
65.03930	2.1
66.72174	1.3
71.01344	2.4
71.32504	1.6
72.08167	1.5
77.03970	1.7
79.05496	3.6
83.01334	2.2
84.08152	1.7
85.47581	1.2
91.05476	16.2
93.07037	1.3
95.04978	2.4
103.05470	9.0
105.03388	53.4
105.07030	16.7
107.04955	36.1
113.43571	1.7
115.05462	12.8
117.07037	7.8
119.04947	28.8
121.02888	10.8
123.04426	3.2
129.07045	1.5
130.06552	4.7
131.04922	53.8
132.08083	6.8
133.02852	100.0
133.06493	39.5
134.03255	4.0
134.06839	2.1
135.04413	14.8
141.07018	5.0
143.03439	5.5
143.04893	3.3
144.05722	2.2
145.02866	2.8
145.06474	25.4
147.04411	90.7
148.04817	2.2
148.11157	7.6
149.02347	3.7
149.05998	4.7
155.03392	3.2
155.06073	5.3
157.06474	10.2
159.04417	29.2
159.08035	2.8
159.09158	11.8
161.02345	65.2
161.05972	48.5
162.02725	3.0
163.03969	4.4
168.05875	1.5
169.06517	5.1
170.06001	2.4
171.04372	27.4
171.05551	3.1
172.04962	2.4
173.02437	2.0
173.05974	42.2
175.03906	12.1
175.07520	1.6
177.05443	8.9
179.03310	7.1
179.06068	1.7
185.05928	9.4
187.03899	71.5
187.07524	4.5
188.04305	2.7
189.05464	71.6
190.05865	4.1
191.03517	1.3
197.05983	35.5
199.03908	53.4
200.04483	3.0
201.05447	12.1
203.03413	3.1
205.04979	5.5
213.05496	12.9
215.03377	5.8
215.07047	12.9
217.04959	80.7
218.05354	3.2
219.06618	2.0
227.03441	2.8
229.04970	5.1
231.02876	6.0
231.06479	4.7
235.06000	4.5
241.04938	18.4
242.05280	1.7
243.06580	7.6
245.04507	15.0
259.01935	1.7
259.06024	38.0
260.06409	2.2
263.05533	18.8
269.04480	2.9
277.07086	3.8
287.05490	7.0
289.11938	3.4
305.02097	13.8
305.06552	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	305.0656
Annotation	Corymbiferan lactone B
Peak:m/z	Relative Intensity
55.03537	0.9
56.27214	0.7
65.03948	1.2
67.01860	2.0
68.33147	0.8
68.99789	4.0
69.17655	5.6
79.05482	0.9
81.03438	1.4
89.03886	1.2
92.00368	0.7
105.03365	1.3
107.04950	1.1
111.00796	1.0
115.05519	0.9
117.03412	0.9
121.02875	8.9
123.04440	21.9
127.03894	3.6
129.06987	1.4
135.04445	1.9
137.02353	14.8
137.03397	1.7
139.03842	1.1
141.06969	1.2
145.06519	1.0
147.04407	3.2
149.02348	66.8
150.02719	2.5
151.03897	0.9
151.24686	0.8
153.01830	24.7
154.02193	1.0
157.06523	6.9
161.02385	2.0
161.06013	1.4
163.03949	1.7
167.03447	1.5
167.04843	1.0
169.06551	0.8
171.02896	2.5
175.03915	3.1
175.07526	1.8
179.03387	1.6
185.05984	11.1
189.05528	1.2
197.06041	1.4
203.03406	8.4
203.07040	1.5
213.05487	13.2
217.05023	1.4
231.06537	59.7
232.06827	2.9
241.04956	10.1
259.06030	100.0
260.06427	7.1
269.04526	2.9
287.05511	33.6
287.08704	1.8
288.05859	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	305.0655
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.00312	0.1
53.03949	0.5
55.01867	0.9
64.40023	0.1
65.03941	0.4
67.05508	0.2
68.99789	0.9
69.52668	0.3
69.53059	0.3
71.01357	0.6
72.08156	0.5
81.03420	4.6
83.04958	0.2
85.02881	0.2
88.04021	0.2
89.03897	0.1
91.05439	0.1
95.04978	0.3
97.02896	0.2
99.04449	0.3
105.03407	0.3
107.01317	0.9
109.02887	1.3
111.00822	0.5
111.04410	0.7
117.03368	0.2
119.04933	0.2
121.02888	0.9
123.04446	0.8
125.02324	0.3
127.03919	3.9
133.02899	0.2
135.04413	0.5
137.02356	100.0
137.03432	10.6
138.02669	2.2
138.03722	0.2
139.03905	6.3
146.06007	0.2
147.04414	1.1
148.04752	0.3
149.02370	0.4
151.03929	1.5
153.01855	0.4
161.02365	0.3
167.03444	0.3
175.03960	0.7
177.01842	0.9
177.05563	0.3
179.03398	4.3
180.03822	0.2
188.06972	0.3
189.07397	0.2
193.05014	0.2
195.02863	1.3
195.63129	0.1
203.03406	2.5
221.04527	0.4
231.06606	0.3
245.04553	0.5
259.06055	0.4
287.05508	2.2
288.05896	0.1
305.02716	0.2
305.06525	2.6
306.06906	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	305.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18609	0.3
62.38740	0.4
68.99763	0.4
70.06566	0.4
70.84290	0.7
74.06064	0.9
84.04500	2.0
84.08092	0.7
85.04819	0.4
86.09670	0.5
87.00803	0.6
88.11237	1.1
91.05501	0.5
103.05461	1.9
107.04938	0.5
115.05466	2.2
116.03468	0.5
118.06533	0.9
119.91492	0.3
126.80682	0.4
128.04951	2.1
130.06532	43.4
131.06862	1.4
132.04443	2.4
133.02837	0.8
133.06421	0.5
133.08784	0.4
137.02321	0.5
144.06520	1.1
145.06822	1.3
145.07765	0.6
146.06012	16.7
147.04405	1.0
147.06313	0.6
148.11205	1.6
153.01814	0.5
155.06042	1.2
156.04436	12.5
157.04752	0.5
157.07651	3.6
158.06013	100.0
159.06371	3.0
161.02229	0.5
161.05905	0.7
161.09261	0.8
162.09526	0.4
169.07637	0.8
173.07112	46.9
174.05524	11.3
174.07401	1.5
175.08661	1.1
190.04988	1.4
197.07210	0.8
198.05525	0.5
199.05032	1.1
201.06596	3.3
202.04991	6.0
215.08151	0.5
219.07646	0.8
241.06100	0.6
243.07697	3.1
249.03127	0.4
259.01413	0.5
259.07166	16.8
260.07480	0.5
261.08810	2.0
269.05536	0.7
277.02618	0.6
287.06619	2.0
287.09711	0.4
305.01962	3.2
305.11569	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07918	0.4
51.01990	0.4
53.03941	1.2
65.03928	0.5
67.05507	0.9
69.03436	0.5
69.07066	0.5
77.03950	0.5
79.05500	0.5
80.71442	0.5
81.07050	1.8
85.02927	0.4
91.05475	3.3
93.05787	1.0
93.07028	2.4
94.06573	0.7
95.04996	2.2
95.08584	0.6
96.08110	1.3
98.22621	1.6
107.08618	0.5
108.08122	2.4
110.47561	0.4
121.02875	0.9
122.06027	2.8
123.04440	4.4
123.11738	0.5
124.07587	9.9
126.05510	1.3
130.04997	1.7
136.07576	100.0
137.02347	0.4
137.07890	2.8
138.09180	0.5
140.07039	0.8
149.02338	4.1
150.05501	0.8
152.07072	17.2
153.01822	6.6
153.28905	0.5
161.02284	0.5
164.07066	72.8
165.07396	2.4
167.03484	0.5
170.08153	5.7
176.14378	3.3
182.08118	15.1
183.08490	0.7
185.05989	0.5
195.02858	0.9
195.62608	0.4
205.48610	0.4
213.05449	0.8
231.06662	2.9
259.06082	2.5
280.05682	0.4
287.05334	0.7
287.14072	2.3
305.01947	0.6
305.05499	11.8
305.14835	1.3
305.18500	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	305.1594
Annotation	Creoside I
Peak:m/z	Relative Intensity
55.05521	10.9
61.02931	5.9
62.04619	6.0
67.05505	12.3
69.03436	24.6
71.05003	36.0
73.02911	6.3
73.06548	10.0
79.05503	11.1
81.03436	13.2
81.07067	12.4
83.04987	14.3
83.08610	6.3
85.02910	24.7
85.04059	5.1
85.06560	20.8
85.91356	4.9
91.05493	9.7
91.38247	6.0
92.66293	6.0
95.04977	44.8
97.02884	5.9
97.10220	11.3
98.22615	22.4
99.04468	6.5
104.75580	5.1
105.03374	6.0
107.05029	6.9
107.06299	5.9
107.08601	52.4
121.06520	6.7
123.04435	13.9
125.09619	78.4
127.03905	11.1
130.06526	6.9
131.04958	7.9
136.07559	24.0
137.02354	46.0
137.05959	10.8
137.09613	15.5
143.10690	71.4
147.04433	12.6
148.69531	5.8
149.02365	10.6
149.92813	5.8
153.01857	21.9
157.07690	8.7
164.07065	13.4
167.10663	30.3
170.08398	6.4
184.99088	9.6
200.98575	16.2
209.11832	9.9
215.00087	8.8
217.01457	10.4
231.01913	7.1
231.06453	6.7
241.13467	5.9
249.03929	6.8
259.01675	7.0
259.05963	13.1
269.12955	5.8
277.02695	7.8
287.01053	8.2
287.05634	10.4
287.10263	24.7
287.14078	22.8
299.55640	5.6
305.01898	100.0
305.11346	18.3
305.14990	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	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34418	0.5
53.03949	3.5
55.01880	2.9
55.05510	7.9
57.03435	0.9
57.07067	0.7
59.18969	0.5
59.89281	0.5
65.03949	1.7
66.04734	0.6
67.05506	18.8
69.03435	1.5
69.07073	5.2
69.59158	1.4
69.59544	1.3
71.04990	1.8
71.29626	0.6
72.04518	8.1
77.03944	0.6
79.05497	32.2
81.03426	4.1
81.07059	100.0
82.07375	2.0
83.04984	1.7
83.08621	2.1
85.06553	2.4
89.30811	0.6
91.05486	14.1
92.05768	0.7
93.07047	14.5
95.04971	9.8
95.08607	10.3
97.06523	1.7
97.10164	1.8
103.05480	0.9
105.07034	8.6
106.30517	0.5
107.04959	7.9
107.08598	7.6
109.06521	86.9
109.10172	3.1
110.06837	1.7
111.08085	0.8
114.09171	0.7
115.05487	0.9
115.40645	0.6
117.07014	7.5
119.08580	8.7
120.08895	0.6
121.06528	3.6
121.10131	4.4
123.04406	0.8
123.08054	3.1
123.11694	1.1
125.09635	1.9
128.06169	0.7
128.10745	1.0
129.07018	3.3
131.08577	5.9
133.06494	2.0
133.10121	3.1
135.08047	4.3
135.11685	2.7
137.05992	2.9
137.09613	1.2
142.12231	0.9
143.08539	2.4
145.06421	0.9
145.10124	7.5
147.08086	3.3
147.11691	1.8
149.09625	7.3
149.13356	0.5
155.08444	0.9
155.10425	0.5
156.13861	0.6
157.10121	2.6
159.11678	2.1
161.09630	10.4
161.13335	0.7
163.11136	3.8
169.10071	0.8
171.11644	1.1
173.09636	1.9
173.13278	0.7
175.11200	1.8
177.12701	0.7
177.16360	0.7
181.09981	0.5
185.13216	1.2
187.11258	0.9
189.12733	0.6
191.10637	2.1
199.11168	1.3
203.14278	0.6
212.20232	0.8
213.16251	0.8
214.52046	0.5
217.12152	0.8
221.15367	10.0
227.17845	0.7
237.16383	0.6
245.18942	1.2
255.17377	2.1
261.22195	0.9
273.15665	0.7
273.18497	7.7
276.28604	0.6
305.05298	0.8
305.21121	9.7
306.27875	7.3
306.31284	0.9
319.00912	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03942	4.4
55.05515	21.7
55.38508	3.0
57.03433	4.3
57.07077	6.0
59.05006	3.7
59.63479	3.1
65.36452	3.0
67.05508	34.7
69.03420	5.9
69.07074	44.9
71.05013	17.4
71.30615	4.1
75.13293	2.9
78.61687	3.2
79.05502	31.1
81.07064	87.3
83.05014	5.9
83.08629	13.5
85.06570	5.0
87.59754	3.0
91.05484	25.7
93.07048	100.0
95.04984	36.7
95.08616	69.9
97.06545	7.1
98.25307	2.9
105.04557	3.6
105.07040	40.4
107.04943	4.0
107.08601	68.7
109.06531	11.6
109.10149	45.4
111.08065	4.6
111.11743	5.7
117.07040	6.2
117.74788	3.5
119.08587	28.2
121.10150	81.0
123.11720	28.9
131.08589	5.9
133.10165	19.7
135.08047	3.8
135.11717	44.2
137.09587	6.8
137.13306	9.3
139.11211	7.3
145.10143	12.9
147.11700	22.3
149.09662	3.4
149.13280	18.8
151.11235	6.3
153.12814	4.6
157.10104	4.6
158.06017	5.0
159.11714	7.9
161.13293	8.5
163.11223	14.1
164.70500	3.2
165.12733	3.4
167.10677	4.1
173.13226	5.1
175.14879	8.0
177.12720	4.5
177.16377	4.0
181.12225	7.0
185.13370	3.4
187.14853	6.2
189.16451	4.7
199.14761	3.4
201.16534	4.1
206.07253	3.8
213.67114	3.2
237.24121	3.4
249.09261	3.1
269.22678	7.2
287.23593	15.8
290.05820	3.9
305.05246	6.0
305.08237	12.4
305.13797	5.2
305.17276	10.2
305.24728	50.2
306.26178	5.4
308.04987	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	305.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01870	0.5
55.05514	4.6
57.03430	0.8
57.07062	1.4
59.04997	0.5
65.03938	1.1
67.05505	8.2
68.99806	2.7
69.03412	1.2
69.07076	8.1
69.26150	2.2
70.00168	0.5
70.06583	1.2
71.04977	1.5
79.05500	5.4
81.03412	1.2
81.07061	19.3
83.04977	1.4
83.08614	2.3
85.06519	1.6
88.07639	1.5
89.05047	0.5
91.05490	4.5
93.03408	0.6
93.06472	0.9
93.07050	16.9
95.04971	13.5
95.08611	12.6
97.06516	1.8
97.10148	1.3
98.23383	1.0
98.33599	0.5
99.08117	0.6
105.07033	7.4
107.08601	11.7
109.02883	0.8
109.06517	6.3
109.10159	8.7
111.00809	1.3
111.08119	1.2
114.09145	1.4
117.07030	1.3
119.08584	5.4
121.02869	1.4
121.06537	0.9
121.10149	10.6
122.03219	0.6
123.04477	0.7
123.08063	1.3
123.11706	7.1
125.09637	1.2
129.43050	0.5
131.08565	1.8
132.10204	3.6
133.10115	3.4
135.11679	3.7
137.02341	3.0
137.09642	1.6
137.13272	1.5
138.02702	2.5
139.02785	2.4
139.11186	1.3
143.08577	0.6
145.10100	2.0
147.11697	5.4
149.02322	0.9
149.09668	0.7
149.13275	2.7
151.11214	1.2
153.01817	5.0
153.12694	0.6
154.02158	2.4
155.02325	3.3
157.10165	0.8
157.79114	0.6
159.11714	2.9
161.13243	2.4
163.03879	0.6
163.11185	0.8
163.14871	0.6
165.01855	1.2
165.04465	0.9
165.12762	2.0
166.02275	1.2
167.02164	1.0
167.10712	1.2
173.13220	1.4
175.14807	1.5
177.12788	0.8
177.16409	0.7
185.03372	0.9
187.14836	0.9
189.16331	1.1
194.19600	0.5
200.20030	0.6
201.05452	1.3
201.16374	0.7
202.05841	1.2
203.06113	2.5
203.17860	0.6
205.15817	0.8
213.16455	1.1
218.21123	0.7
229.04901	2.4
230.05139	1.2
231.05513	6.3
244.22911	0.6
249.06374	0.9
257.04437	0.9
259.04922	3.5
266.04233	0.5
269.22650	1.6
274.54807	0.5
276.05383	1.3
277.62354	0.5
287.04422	2.7
287.23691	5.2
305.05536	100.0
305.24741	16.5
306.05878	4.8
306.26410	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	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23217	0.4
55.65451	0.3
57.07079	0.3
65.03945	0.4
66.04717	0.4
67.05495	0.3
69.07079	0.9
70.20910	1.2
74.10484	0.3
79.05471	0.7
81.07053	0.6
91.05480	1.0
94.04186	2.4
97.06546	0.4
102.12656	0.4
107.08611	0.7
108.46614	0.4
109.10181	0.8
114.09164	0.6
121.10221	0.4
122.03652	6.9
124.77356	0.4
133.10138	1.0
135.11681	1.3
137.05980	100.0
138.06322	2.1
153.12769	1.1
170.15414	2.4
182.15413	2.7
233.56625	0.3
278.36060	0.4
292.55450	0.4
302.93948	0.4
306.20718	1.2
315.92938	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	306.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85714	2.7
55.01880	8.0
55.05513	9.4
57.07079	8.1
58.20425	3.5
58.77006	2.7
67.05505	17.8
69.03439	4.4
69.07069	16.3
70.09773	10.3
71.08647	8.8
72.72051	2.7
74.10846	2.8
79.05507	11.4
81.07049	25.4
83.08613	3.2
85.06542	5.8
91.05479	11.0
93.07040	25.0
95.04974	25.3
95.08605	36.4
97.06526	10.4
98.23340	3.7
99.08113	8.6
105.07038	10.4
107.08614	13.8
109.06524	37.3
109.10157	10.2
119.08533	13.6
121.06527	7.5
121.10154	5.6
123.08076	2.9
131.08574	7.8
133.10130	6.6
135.08075	8.0
137.05998	4.0
137.09607	8.8
147.11707	4.4
149.09656	3.1
154.12314	6.4
157.07651	3.3
157.10085	3.9
158.06042	5.4
165.12759	100.0
173.13287	8.0
175.11177	7.4
177.12720	3.1
184.13382	4.5
191.14330	18.4
261.22116	8.5
271.20575	6.5
281.70956	3.1
289.21628	53.5
306.24280	43.4
306.27786	3.8
307.18823	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	306.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	5.7
55.05513	10.7
57.03433	1.4
57.07082	8.4
67.05503	20.2
68.16886	1.1
68.57138	1.1
69.03450	2.8
69.07072	12.5
69.44747	6.2
70.06595	2.7
71.04975	1.7
71.08636	13.0
72.04520	1.9
77.18608	1.2
79.05492	13.2
81.07058	22.9
83.04958	2.1
83.08624	4.3
83.27171	1.2
85.06557	4.6
86.06059	2.2
91.05476	12.3
93.07050	19.1
95.04971	21.4
95.08607	31.0
97.06524	9.3
97.10165	1.8
98.06050	2.8
99.08095	10.1
100.07633	2.7
105.07051	9.5
107.04955	1.5
107.08605	13.3
109.06522	30.6
109.10146	9.8
111.08099	1.7
112.11227	1.7
114.09208	1.6
117.07047	2.7
119.08598	10.3
121.06506	6.5
121.09395	1.0
121.10130	6.2
123.08075	4.7
123.11708	1.7
131.08540	8.2
133.10117	6.5
135.08054	6.8
137.05998	7.7
137.09613	10.2
145.10109	5.4
147.08032	1.3
147.11681	5.7
149.09634	2.4
149.13271	2.4
151.14871	1.6
154.12276	7.2
157.10155	1.9
159.11748	2.7
161.13287	1.8
163.11162	5.6
163.14830	3.2
165.12752	100.0
166.13174	1.7
173.13274	7.4
175.11172	6.9
177.12781	2.0
179.14343	2.9
183.11771	1.5
184.13348	4.9
187.14813	1.8
191.14288	17.2
192.13878	2.2
201.12810	1.7
208.16959	5.2
215.14331	1.7
221.15376	2.6
229.19539	1.2
233.15349	2.0
243.21077	1.7
250.18114	1.9
261.22183	5.2
271.20618	4.0
275.19849	1.4
288.23132	2.7
289.21609	54.5
290.22034	3.4
306.24286	51.0
306.27881	12.3
306.31390	3.1
307.24893	1.9
307.27972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35197	3.2
55.05509	11.4
63.55782	3.3
67.05509	41.8
68.41212	3.3
68.80070	3.7
69.07067	13.5
70.13976	3.3
72.04520	85.6
75.88835	3.6
79.05498	11.5
81.07063	55.3
83.08612	6.4
91.05455	3.3
93.07057	10.7
95.08619	48.5
98.09705	20.5
107.08586	11.6
109.10163	20.7
111.12567	3.5
114.09190	13.3
121.10158	7.9
121.51597	3.2
123.11721	6.7
126.09152	32.4
128.10725	15.6
135.11739	6.3
137.06021	10.4
137.13156	4.6
142.12317	9.0
154.12253	5.2
156.13870	6.5
158.06017	4.9
170.15402	5.7
177.16333	4.8
182.15443	4.4
184.16949	7.1
198.18529	4.4
210.18547	6.4
212.20126	4.3
261.22162	4.2
306.27933	100.0
307.28238	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.0
67.05510	39.5
69.07061	6.4
72.04168	6.1
72.04530	70.2
79.05499	12.0
81.07056	44.6
83.62393	4.8
89.51021	5.7
93.07043	13.6
95.08624	36.6
98.09713	21.8
100.57856	5.0
107.08606	12.0
109.10167	20.3
114.09187	12.0
121.10184	8.1
126.09166	29.4
128.10722	11.7
135.11671	5.6
142.12292	11.3
170.15347	9.2
178.96310	5.0
243.21094	5.4
306.27884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01878	1.1
55.05513	9.0
56.05040	0.2
57.03440	0.2
57.07080	1.2
65.03931	0.8
67.05506	12.6
69.03426	0.3
69.07069	9.2
69.73508	0.5
70.06587	0.2
70.07379	0.2
71.08617	0.4
72.04516	0.8
79.05495	3.0
80.05005	0.2
81.07056	9.5
82.06549	0.5
82.07391	0.2
83.04983	0.3
83.08144	0.2
83.08616	3.0
84.04506	0.2
85.05288	2.5
86.06077	1.2
91.05492	1.8
93.07041	2.5
94.06532	0.2
95.04961	0.6
95.08604	6.3
96.08142	0.4
96.08952	0.2
96.68013	0.2
97.06522	0.4
97.10159	1.0
98.06053	18.3
98.09657	0.3
98.22626	0.2
99.06337	0.3
99.06897	0.3
99.08141	0.2
105.07027	1.1
107.04955	0.4
107.08598	1.2
108.08135	0.3
109.06519	1.1
109.10140	1.9
110.09687	0.6
111.04456	0.5
111.08080	0.5
112.07604	2.9
112.11297	0.2
117.07049	0.2
119.08589	1.1
120.08060	0.2
121.06458	0.2
121.10139	0.8
122.09681	0.3
123.11694	0.6
124.07587	0.6
124.11244	0.5
125.08389	0.3
125.09635	0.2
126.09162	0.7
133.10135	0.5
135.11664	0.2
137.05986	1.8
137.09625	0.3
138.09145	0.2
140.10703	0.9
147.11714	0.4
149.09595	0.3
152.10713	0.6
154.12280	0.8
159.11691	0.3
165.12782	0.2
166.12286	0.4
168.13850	0.7
177.12900	0.2
182.15430	0.7
194.15440	0.5
196.16907	0.8
208.16983	1.1
208.20404	0.2
209.86330	0.2
210.18564	0.4
217.42384	0.2
222.18533	0.7
224.19994	0.2
234.79669	0.2
236.20126	0.6
250.21800	0.3
251.16380	0.2
275.20059	0.4
289.21573	0.2
306.27905	100.0
307.22934	1.5
307.28217	7.3
307.31805	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	306.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15736	0.6
53.03949	0.8
55.05516	9.4
57.07085	0.9
65.03938	1.0
67.05509	21.8
68.05857	0.6
69.06729	0.8
69.07072	8.8
79.05502	4.0
81.07060	17.2
83.08614	4.8
84.08162	0.8
86.09709	6.4
89.38155	0.5
91.05462	2.3
92.05805	1.6
93.07037	3.5
94.07349	0.7
95.08614	15.3
97.10138	1.0
98.06067	0.8
105.07051	0.7
107.08570	1.4
109.10157	4.8
111.08131	0.6
114.04131	0.6
114.10764	0.6
121.10129	0.6
122.03651	0.8
123.11772	1.1
135.11690	0.9
137.05981	16.0
147.11786	0.7
165.12779	0.6
208.20639	0.9
251.58937	0.6
275.20010	1.4
306.27423	5.0
306.31543	100.0
307.31897	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	306.9018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45827	0.3
55.70071	0.3
69.57546	1.2
70.06600	0.7
71.31410	0.2
72.40919	0.3
74.07169	0.2
85.74458	0.3
90.87776	0.3
94.93019	15.1
96.92793	0.5
109.91713	0.6
116.07071	0.4
118.08661	1.2
120.03036	0.3
125.90723	0.3
148.88051	0.4
189.13487	1.0
202.89105	100.0
203.89441	1.2
206.86913	0.7
216.90659	3.1
218.92242	3.6
223.29553	0.3
244.90184	3.8
246.88069	2.7
306.90244	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	307.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80486	7.9
52.60494	9.0
53.72638	8.0
60.05634	24.9
70.06596	100.0
70.68770	21.7
72.04515	12.6
74.07238	11.0
86.06094	20.2
87.58930	8.5
94.93018	84.8
112.08738	10.0
114.05548	37.3
116.07093	29.8
118.08665	47.6
128.07088	16.9
130.09746	13.1
132.06554	8.7
136.94048	15.7
148.88081	25.4
150.91949	35.9
156.88531	33.0
174.89648	34.8
175.07181	38.6
175.11906	46.8
176.93561	51.8
188.91179	13.6
189.13472	39.7
202.89128	21.2
214.94852	80.2
215.10167	12.8
224.90401	11.2
244.88454	11.8
250.80794	9.9
261.03815	10.1
275.12399	17.2
306.93823	21.8
306.99600	40.7
307.04260	19.5
307.10086	17.7
307.16031	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46632	2.2
53.73314	2.2
54.86442	2.3
62.21460	2.6
64.24214	2.5
71.27814	3.8
76.02219	9.5
82.97215	2.7
83.38676	2.7
84.04510	5.9
94.93037	15.5
97.00348	2.5
97.11319	2.5
107.29942	2.4
111.73220	2.5
137.16646	2.3
146.90353	2.6
150.91920	5.2
165.89844	2.2
179.04897	3.2
202.89102	100.0
216.90744	3.0
218.92177	4.5
244.90109	3.6
246.88049	2.9
272.95859	2.3
285.00156	2.6
288.89001	2.6
290.98032	2.7
306.90179	3.8
307.04898	2.8
307.07852	83.0
307.17007	2.4
308.08093	4.0
313.01178	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	307.0813
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.00301	0.7
55.01875	0.6
58.99580	0.9
65.03936	1.1
67.05497	0.7
68.99794	0.8
70.02958	3.5
70.06578	0.3
70.41014	0.6
70.41344	0.6
73.90250	0.3
74.06062	0.5
76.02230	4.7
79.05495	0.5
81.03388	0.4
83.04971	0.6
84.04509	2.8
88.03984	1.0
93.03407	0.6
93.07053	0.5
95.04971	1.5
98.23231	0.5
103.05476	0.4
107.04967	1.9
109.85441	0.3
111.04431	1.5
116.01671	1.1
117.03406	0.4
120.08057	0.3
121.02872	1.1
121.06503	1.9
123.04422	1.0
127.03922	0.9
128.04970	0.8
130.05000	0.7
130.06526	1.9
131.04915	1.3
132.04440	0.9
133.02847	1.3
134.04460	0.4
135.04408	2.7
137.02348	0.9
138.02672	0.8
139.03900	100.0
140.04279	2.1
142.03246	0.7
144.01106	0.5
145.02951	0.6
146.06007	23.5
147.04471	0.4
147.06320	0.9
149.05972	0.8
151.03911	3.9
153.01814	0.5
153.05472	1.0
157.07625	1.2
158.06004	1.6
159.04410	2.6
162.02209	1.5
163.03914	10.6
167.07022	0.4
169.04979	1.5
174.05508	3.1
175.08684	0.9
177.05490	2.9
179.04826	1.9
181.04964	5.0
188.07028	0.6
189.07437	1.0
189.66832	0.3
192.06622	0.4
194.26004	0.3
195.06529	3.3
201.03606	0.3
204.10199	0.5
205.05055	0.9
206.10136	0.5
222.50029	0.4
223.06052	1.0
233.05869	0.6
247.06047	0.6
261.00226	0.8
261.08710	1.6
269.82965	0.3
289.07263	1.1
307.08374	0.7
307.14639	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	307.0814
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.00306	0.6
55.01875	0.3
65.03945	1.2
67.05503	0.6
68.99771	1.0
70.56754	0.4
79.05476	0.3
83.05001	0.6
89.03857	0.2
93.03401	0.7
95.04980	1.1
97.76731	0.2
107.04954	1.5
111.04461	1.5
117.03403	0.3
121.02894	1.1
123.04424	1.0
127.03923	0.6
130.06546	2.6
131.04939	0.8
132.04469	0.7
133.02826	0.8
135.04416	2.9
139.03908	100.0
140.04250	2.3
145.02850	0.5
149.06004	0.7
151.03915	4.2
153.01830	0.5
153.05473	0.8
157.07611	2.8
158.06042	3.0
159.04402	2.1
163.03911	9.4
164.04207	0.4
165.05402	0.3
167.07027	0.5
169.04971	2.0
175.08682	1.5
177.05492	2.7
181.04945	5.2
195.06558	2.6
205.04977	0.8
219.06674	0.2
223.06035	1.5
243.07570	0.3
247.06068	0.6
261.08658	1.3
289.07141	0.9
307.08167	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	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32440	0.5
67.14242	0.5
70.02981	0.9
70.92065	1.2
71.21719	0.6
73.34374	0.5
76.02229	1.7
82.02943	0.7
84.04515	0.9
87.00838	2.2
89.97426	0.5
94.06573	2.1
103.05515	0.8
115.05459	0.8
118.56468	0.6
121.19367	0.6
129.99005	0.6
130.06532	98.5
131.06865	3.1
132.04457	23.1
146.05994	8.2
147.06407	0.7
149.10727	0.6
157.07616	79.4
158.06015	100.0
159.06361	4.2
173.07111	4.2
175.08675	48.7
176.07053	1.2
176.08994	1.6
197.07098	2.5
199.08716	3.1
201.06615	5.9
203.08138	5.1
204.13487	0.6
221.09245	3.1
225.06516	1.0
243.07651	9.6
245.09195	1.9
247.07117	3.0
261.08701	36.9
262.09000	1.6
271.07117	2.1
275.13452	0.6
289.08203	8.2
307.09229	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	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24611	0.7
58.42166	0.7
63.29057	0.7
63.62643	0.9
64.57983	0.8
69.22108	2.8
69.22521	2.3
74.72903	0.8
76.02242	1.3
83.84770	0.8
87.00841	2.1
94.06573	2.0
99.52422	0.6
105.48135	0.7
110.26727	0.8
115.05450	1.3
130.06531	99.0
131.06853	3.9
132.04462	25.3
146.05963	6.2
157.07619	83.4
158.06018	100.0
159.06374	3.3
173.07059	4.2
175.08676	51.6
176.07079	1.1
176.09007	1.8
197.07115	2.1
198.07449	0.7
199.08641	2.1
200.29581	0.8
201.06616	6.1
203.08121	4.6
221.07375	0.8
221.09193	5.3
243.07645	12.8
245.09242	1.8
247.07062	2.5
261.08704	42.1
262.09070	1.6
271.07220	2.0
289.08237	9.2
307.09250	2.3
314.32681	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01882	21.6
55.05516	61.6
57.03438	41.8
57.07063	28.1
61.52184	18.1
63.71166	18.9
67.05501	70.7
69.07059	44.6
69.61219	58.4
69.61639	30.7
69.69019	21.6
75.16620	17.5
76.02232	30.3
79.05497	67.8
81.07055	81.6
83.08611	44.7
85.06530	24.4
91.05495	41.5
93.07033	56.5
95.04996	32.1
95.08627	54.0
97.10169	41.2
98.22691	26.7
105.07037	31.2
107.04974	36.7
107.08601	47.7
109.06544	30.8
109.10161	45.5
112.78235	18.4
119.08602	22.8
121.10149	43.5
125.09639	50.9
128.06216	23.2
129.07114	18.5
131.08583	26.2
133.10165	35.8
135.11719	20.0
137.09595	35.5
145.10136	25.0
149.09668	25.2
159.08107	30.1
162.02242	23.8
165.12819	33.9
173.13336	25.7
215.14310	37.7
233.15355	21.6
253.65070	19.2
262.54919	18.2
271.16718	34.1
281.38608	19.3
289.18121	100.0
290.21918	31.6
307.18835	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.05495	11.5
56.89783	6.5
67.05496	11.4
69.07068	21.2
71.29721	9.3
79.05477	10.8
81.07074	35.8
91.05493	19.3
93.07030	23.0
94.61604	6.9
95.04976	20.4
95.08638	16.6
97.06537	18.4
98.07970	6.1
102.79430	6.4
105.07025	29.8
107.08642	10.9
109.06516	15.7
109.10146	8.5
117.07057	9.3
119.08583	41.2
119.40504	7.1
122.41901	6.5
128.06216	14.2
129.07008	12.5
130.06544	14.3
131.08548	15.9
133.10150	31.0
141.06964	9.3
142.07785	7.7
143.08546	29.1
145.10126	22.9
149.02425	6.4
150.37016	7.6
154.07773	8.5
155.08624	10.9
156.09341	9.2
157.07602	17.6
157.10126	26.2
158.06050	20.1
159.11705	11.9
165.12872	6.8
169.10086	13.3
171.11754	12.9
173.13370	11.4
179.08551	9.3
181.10164	8.3
182.10924	9.6
183.11751	12.3
195.11725	12.1
197.13261	14.5
206.10902	7.3
207.11664	15.1
209.13293	17.1
219.11794	8.7
221.13177	15.3
223.14706	10.1
233.13347	16.2
237.16364	13.9
248.15744	7.9
249.28241	7.0
251.14398	9.8
261.08725	9.4
263.17996	25.1
271.65909	7.9
289.19284	15.3
307.09515	9.6
307.20532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03948	19.0
53.40569	2.7
55.01872	15.9
55.05515	68.8
65.03905	3.5
65.23634	2.4
66.74922	2.3
67.05510	56.1
69.07075	26.7
69.84753	4.6
79.05495	55.7
81.03421	42.0
81.07063	59.1
83.04977	10.6
83.08624	100.0
85.06557	5.6
91.05481	38.5
93.07041	51.2
95.04971	21.9
95.08607	25.2
97.06544	13.1
97.10151	2.8
99.08087	4.6
105.07042	25.2
107.04959	42.7
107.08574	23.1
109.06531	11.8
109.10153	8.8
111.07349	3.2
111.08083	28.7
117.07032	16.7
119.08588	21.3
121.06478	2.7
121.10146	31.4
123.04449	3.4
123.08048	3.9
129.07022	7.4
130.07758	2.7
131.04910	3.1
131.08560	17.3
133.10106	10.9
135.08061	3.7
135.11702	26.3
139.11182	5.7
141.06958	3.3
143.08591	3.1
145.06494	6.6
145.10126	34.2
147.11690	12.1
149.09621	21.3
149.13261	4.7
151.11177	2.7
155.08501	6.0
159.11690	5.2
161.13258	4.8
163.11203	54.9
165.12756	10.9
169.10155	3.2
171.11638	2.7
172.00278	2.7
173.09637	18.7
173.13272	8.1
177.12753	3.6
187.11224	4.2
191.10692	11.5
195.13869	3.1
201.12712	4.3
219.13951	3.4
229.19551	4.5
239.18019	3.9
244.39914	2.7
257.19012	7.5
275.20062	27.1
289.21835	4.6
307.22711	77.0
307.28180	4.6
308.22958	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	17.9
55.01637	4.3
55.01879	49.8
55.05516	18.2
57.03439	5.5
58.24983	2.2
59.35055	2.4
67.05183	3.2
67.05515	47.3
69.03425	4.0
69.07076	40.9
79.05498	46.4
81.03435	18.3
81.07064	100.0
82.07381	2.4
83.04985	6.9
83.08620	5.5
85.06535	6.9
91.05481	37.8
93.07051	44.1
95.01331	3.8
95.04975	17.0
95.08615	39.7
97.06536	88.7
97.10182	4.8
99.08090	2.6
103.05466	2.5
105.07037	50.7
107.04959	21.3
107.08593	20.8
109.06522	26.6
109.10172	11.9
111.08107	4.9
117.07034	11.4
119.08610	24.4
121.06508	6.6
121.10154	12.3
123.04449	3.2
123.08078	10.2
123.11697	4.2
125.09625	8.9
131.08609	18.0
133.10133	31.5
133.71742	2.4
135.08054	5.1
135.11702	12.3
137.09651	5.4
143.08560	5.0
145.06451	3.2
145.10124	12.1
147.11707	14.9
149.09676	14.4
149.13271	11.5
151.11205	8.5
157.10123	2.5
158.30714	2.5
159.11671	16.6
161.13292	7.4
163.11200	10.0
163.14911	3.1
165.09061	5.0
165.12724	2.7
169.10146	5.8
171.11627	3.4
173.13232	6.9
177.12776	9.4
179.14325	14.6
183.11766	4.7
187.11183	4.8
189.12724	2.4
205.12160	3.2
219.17436	4.9
229.19438	3.1
233.15465	2.6
247.20685	7.3
257.19037	4.6
275.20099	61.7
276.20337	5.2
307.22882	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03946	4.5
55.01878	6.2
55.05515	13.8
57.03438	3.1
57.07086	0.8
59.05010	1.0
64.77968	0.7
65.03945	2.0
67.05509	29.1
69.03414	1.5
69.07075	13.1
71.05002	2.4
71.08675	0.9
76.02238	1.0
79.05499	34.6
81.03439	6.3
81.07061	100.0
82.07391	1.9
83.04995	5.1
83.08624	10.5
85.06554	2.7
91.05486	19.2
93.07050	19.6
94.07365	0.8
95.04977	13.4
95.08609	18.1
95.09170	1.5
97.06538	8.6
97.10167	1.6
99.08102	2.2
100.82085	0.7
105.07037	21.6
107.04968	6.5
107.08609	15.0
109.06525	46.6
109.10163	6.8
110.06836	1.3
111.04513	1.1
111.08077	4.5
113.05967	0.9
115.05490	1.6
117.07021	6.6
119.08593	14.6
119.69235	0.7
121.06519	4.6
121.10166	11.5
123.04452	0.9
123.08087	10.0
123.11732	5.3
125.09653	1.4
129.07027	2.2
130.07819	0.9
131.08583	10.2
133.10147	15.1
135.08032	4.3
135.11720	6.6
137.06010	0.9
137.09593	4.5
137.13219	0.8
138.06401	0.9
143.08542	2.1
145.06531	1.1
145.10136	9.0
147.08102	1.3
147.11697	14.3
149.09641	7.3
149.13272	7.6
151.11159	4.8
155.08548	1.5
157.10138	2.4
159.11650	7.1
161.09641	1.2
161.13274	4.4
163.11188	9.0
163.14833	3.3
165.12769	4.8
169.10197	1.2
169.32523	1.0
171.11766	1.6
173.09630	1.5
173.13266	4.0
175.11189	2.8
175.14897	1.0
177.12790	3.2
179.04955	0.9
179.14359	1.2
183.11681	1.9
185.13327	0.9
187.11279	1.3
187.14861	1.8
189.12726	2.1
191.14355	1.7
193.12280	4.4
197.13329	1.3
201.12759	1.8
205.12241	0.7
207.13867	1.6
211.15065	0.9
215.17859	1.0
219.13847	2.3
219.17632	1.2
229.19533	2.5
239.17978	2.2
247.20537	6.2
257.19080	7.2
275.20074	60.0
276.20544	4.2
289.21643	1.9
307.22800	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01869	8.5
55.05513	25.0
57.07083	1.6
58.42143	1.6
65.03931	3.7
67.05506	79.4
69.03432	15.2
69.07070	13.6
69.51299	4.4
69.51689	3.9
71.04993	4.7
71.08634	1.8
77.86372	1.7
79.05493	32.1
79.05923	3.1
81.03408	4.8
81.06587	2.9
81.07062	56.0
82.07371	1.8
83.04977	6.2
83.08622	11.3
85.06573	3.9
91.05489	29.8
93.07044	45.7
95.04974	19.7
95.08612	100.0
96.08949	3.7
97.06544	8.7
97.10160	5.4
105.07039	22.9
107.04949	5.6
107.08604	14.8
109.06533	18.4
109.10155	29.0
111.11716	1.7
117.06982	8.2
119.08592	34.3
121.06515	3.6
121.10146	14.7
123.08068	7.0
123.11721	4.0
123.54036	1.5
125.09634	8.2
129.07014	3.7
131.08545	12.6
133.10123	15.4
134.82881	1.8
135.08051	6.0
135.11716	8.8
137.09615	46.9
138.09978	1.9
139.11177	3.5
143.08640	2.1
145.10155	13.9
147.08087	4.8
147.11678	15.4
149.09602	13.3
149.13284	4.4
151.11156	2.2
153.08997	2.1
157.10123	2.3
159.11662	7.9
161.09596	2.4
161.13252	4.0
163.11217	11.4
165.09160	4.7
165.12737	10.3
169.12204	4.8
173.13307	5.7
175.11243	4.7
177.12781	4.4
179.10689	2.7
187.14822	4.7
193.12247	4.0
203.12730	2.9
215.14282	2.1
227.46425	1.6
229.19580	4.2
239.17982	4.7
247.20615	4.8
252.09091	1.8
257.19080	7.5
275.20078	43.6
276.20587	2.6
286.08936	1.8
288.71460	1.6
289.21790	2.0
307.22733	22.6
308.22949	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	307.2269
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
51.52028	0.6
52.63406	0.7
53.03951	0.8
55.01686	0.6
55.01875	7.7
55.05517	15.6
57.03439	1.3
57.07080	0.9
65.03918	1.1
67.05514	13.2
69.03410	1.1
69.06728	1.2
69.07076	15.7
69.31557	2.9
69.31962	1.2
71.04990	3.9
71.08627	1.6
72.04506	3.2
79.05495	10.1
81.07062	21.7
83.04984	2.6
83.08638	4.8
85.03925	0.6
85.06552	1.1
91.05483	6.6
93.07047	14.0
95.04971	9.2
95.08611	17.3
97.06525	9.8
97.10187	3.8
98.06847	0.8
99.08110	1.9
105.06372	1.1
105.07027	8.8
107.04905	1.0
107.08606	9.5
109.06523	89.7
109.10148	5.2
110.06860	1.5
111.08063	1.5
112.78365	0.7
117.07036	1.6
119.08590	7.6
121.06504	5.9
121.10140	5.4
123.08083	5.4
123.11698	2.0
125.09571	0.9
128.10638	0.7
130.06505	1.0
131.08572	4.0
133.10161	5.4
135.08089	3.6
135.11694	1.9
137.09639	4.0
137.13211	0.8
139.11171	1.8
145.10124	3.6
147.11696	3.1
149.09613	4.6
149.13271	1.2
151.11192	1.5
154.00018	0.6
157.07645	1.2
157.10097	0.9
159.11740	1.0
161.13264	1.8
163.11188	2.6
165.12778	6.9
171.11705	0.7
173.13286	3.6
175.11171	1.2
175.14870	1.2
177.12790	1.6
185.13234	0.8
187.14818	1.4
191.14377	2.1
197.13191	1.0
221.15334	1.2
233.15295	2.0
238.21767	3.5
239.16504	0.7
247.20490	1.0
251.16438	26.6
252.16740	1.3
261.22141	2.1
261.24884	0.7
263.20062	1.2
265.18085	1.2
280.39032	0.7
289.21625	14.9
290.21835	0.9
291.23218	7.7
307.22687	100.0
308.23221	5.3
308.25934	8.1
317.59924	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	3.5
55.01873	4.8
55.05515	14.5
57.03434	2.9
57.07074	2.2
59.05002	1.7
65.03945	2.4
67.05507	31.4
68.05833	0.7
69.03426	3.8
69.07072	15.5
71.01357	1.5
71.04998	21.6
71.27637	0.6
71.28041	0.9
73.06556	1.9
79.05496	25.6
81.03414	2.8
81.07059	39.9
82.04201	0.6
82.07392	0.9
83.04981	3.7
83.08629	4.4
85.02899	1.1
85.06551	3.7
87.91822	0.7
89.46723	0.6
91.05482	22.1
93.07046	24.3
93.07629	1.5
95.04969	9.9
95.08607	23.9
96.08950	0.8
97.02881	1.0
97.06528	13.6
97.10137	3.5
99.04478	2.1
99.08092	5.0
103.05456	0.9
105.04518	1.0
105.07030	25.1
107.04942	3.5
107.08599	14.2
108.05767	1.4
109.06521	51.6
109.10152	8.9
110.10528	0.7
111.04444	100.0
111.08090	3.8
111.11752	1.0
112.04750	1.7
113.05978	1.1
113.09719	1.5
115.05476	1.3
117.07050	5.1
119.08576	18.3
120.08914	1.3
121.06502	8.6
121.10140	9.6
123.08064	10.5
123.11712	4.6
125.06001	7.1
125.09633	5.7
127.11163	0.9
128.06270	0.7
129.07011	3.3
131.08559	10.2
133.06505	1.1
133.10130	11.8
135.08063	5.2
135.11684	5.4
137.06027	1.7
137.09618	8.2
137.13239	0.8
139.07591	1.1
139.11180	1.9
143.08575	2.4
143.93524	0.6
145.10121	9.0
147.08107	1.5
147.11685	8.6
149.09593	5.7
149.13281	1.9
151.11145	4.2
153.09055	1.1
155.08557	1.2
157.10158	1.8
159.08083	0.7
159.11708	4.5
161.09596	2.5
161.13280	4.4
163.11188	4.0
163.14853	1.0
165.09109	2.3
165.12761	9.0
167.10724	0.8
169.10184	1.5
171.11736	4.6
173.09547	0.9
173.13234	4.2
175.11130	0.8
175.14824	1.1
177.12733	2.0
183.11699	1.4
185.13303	1.1
187.11229	1.4
187.14827	1.9
191.14420	2.0
193.12289	0.7
197.13257	1.1
201.12808	1.7
203.14406	0.9
206.61517	0.6
213.16389	0.8
215.14494	0.8
219.13802	0.8
220.17099	1.0
221.15454	0.9
229.19539	1.4
233.15361	1.4
239.17949	1.9
243.17601	0.6
247.20601	3.3
251.16415	12.2
251.18796	0.8
252.16792	1.1
252.19539	2.0
257.19040	2.6
265.17883	1.0
275.20090	13.8
276.20572	1.1
279.23212	2.8
289.21652	11.2
307.22690	94.4
307.28442	2.4
308.23047	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	307.263
Annotation	Crinitol
Peak:m/z	Relative Intensity
51.12652	1.3
51.27411	1.3
53.03938	2.7
55.05516	18.2
56.96548	3.7
57.03432	1.3
57.07085	8.1
59.05005	1.1
60.96173	1.2
65.75042	1.1
67.05508	34.4
69.03424	2.6
69.06399	8.7
69.07069	36.6
69.86373	1.0
69.98238	1.1
70.06593	7.1
71.05003	7.4
71.06907	2.6
71.08640	2.6
76.02209	3.5
76.29364	1.1
79.05493	22.7
81.03427	2.4
81.07062	100.0
82.07378	1.9
83.05002	5.5
83.08619	15.1
83.37849	1.3
84.04480	2.1
85.06535	4.9
86.09708	1.2
88.07635	3.3
91.05488	11.0
93.07047	37.9
93.90018	1.1
95.04982	7.5
95.08612	71.2
96.08923	1.7
97.02932	1.3
97.06538	8.4
97.10175	9.8
98.23380	2.3
98.97586	15.1
99.08104	1.9
102.09164	1.6
103.09556	1.4
105.07036	16.5
107.08603	33.2
109.06508	3.2
109.10162	44.2
111.08090	8.4
111.11739	5.6
116.01610	1.5
116.98618	10.5
117.07053	1.9
119.08585	10.5
121.06541	1.8
121.10160	24.5
122.10489	1.4
123.08086	3.3
123.11713	25.5
125.09647	4.6
127.03905	1.7
127.07511	1.6
131.08554	4.2
132.10197	2.8
133.10103	10.1
134.99657	4.8
135.11707	19.5
136.11949	1.6
137.09586	3.8
137.13246	8.9
139.11160	3.4
145.10126	5.0
146.11766	1.5
147.11679	7.9
149.13258	17.9
151.11224	3.2
151.14793	3.3
153.00658	1.1
153.12764	3.0
155.10686	1.9
159.11681	6.6
161.13249	6.8
163.11200	1.5
163.14903	5.7
165.12785	5.5
167.14328	1.2
168.06598	3.5
173.13257	2.6
175.14816	3.9
177.16402	4.3
179.14316	1.9
179.18018	1.9
187.14888	3.4
189.16364	2.9
191.17952	3.4
200.20128	1.4
201.16444	2.6
201.20424	6.5
202.70659	1.1
203.17952	1.5
210.46474	1.1
214.21436	1.2
215.18007	3.6
244.22656	2.6
245.23026	14.8
271.24194	6.9
281.10733	1.2
289.25290	11.0
292.07330	2.5
307.09384	1.8
307.15250	5.9
307.18790	44.8
307.26532	72.9
308.18890	6.4
308.26813	4.5
325.13156	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	307.2631
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
53.03939	3.2
53.80904	1.0
55.01871	3.8
55.05510	11.6
57.07066	3.4
58.99594	1.3
59.01054	1.0
59.04985	1.5
65.03933	1.1
67.05502	20.6
68.60677	1.0
69.03428	5.9
69.07067	30.0
71.04998	2.6
76.02229	4.7
79.05492	16.6
79.05911	1.5
81.03421	4.0
81.07056	100.0
82.07381	1.2
83.04978	2.3
83.08615	5.7
84.04489	1.4
85.02895	4.9
85.06560	3.0
91.05472	11.8
93.07043	47.5
95.04981	4.7
95.08611	22.9
97.02882	2.4
97.06545	10.1
97.10168	4.1
99.04446	3.1
99.08112	2.2
103.03936	2.1
103.34898	1.1
105.07031	13.3
107.05026	1.3
107.08596	41.1
109.06506	11.6
109.10159	22.5
111.08089	25.6
111.11699	6.3
111.32351	1.1
116.01648	1.2
117.07056	1.2
119.08566	5.8
121.06525	1.7
121.10145	11.1
123.08046	1.9
123.11712	25.1
125.09657	2.1
127.03930	3.7
131.08594	2.8
133.10127	25.5
134.10536	1.2
135.11703	4.5
137.13263	4.7
139.11186	15.4
145.04947	1.5
145.10196	1.7
147.11688	4.9
149.09674	2.0
149.13269	3.9
151.11183	46.2
151.14804	1.0
152.11403	1.4
153.12790	1.3
157.07683	2.5
158.06044	1.2
159.11763	2.2
161.13249	2.3
162.02209	1.4
163.03836	2.0
163.11237	1.7
163.14839	1.9
165.12761	6.0
169.12277	5.8
169.80396	1.0
172.91263	1.2
175.14772	2.0
177.12775	1.4
177.16365	3.0
179.04868	2.2
188.38390	1.1
189.16429	2.2
207.17464	1.2
215.17963	1.8
219.75333	1.3
233.05887	1.2
267.09122	1.3
271.24280	2.5
285.10370	1.3
289.25165	6.8
307.06055	8.2
307.09531	2.0
307.15125	12.4
307.18860	6.4
307.22842	1.2
307.26370	35.4
308.26669	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03947	4.6
55.01863	2.6
55.05511	29.1
56.42981	1.8
57.03444	2.9
57.07076	8.9
59.05001	4.5
65.03953	2.0
67.05510	36.4
69.03435	11.3
69.07070	86.0
71.01353	6.2
71.04997	60.9
71.08630	2.0
71.31990	1.8
76.02232	5.5
79.05493	28.1
81.07062	100.0
83.04987	7.4
83.08623	22.5
85.06567	2.1
86.09715	8.9
87.10026	2.5
91.05477	20.8
93.07049	71.5
93.07632	3.8
94.07408	1.9
95.04990	9.7
95.08614	72.8
96.08933	2.6
97.06529	11.0
97.10175	9.4
105.07039	25.4
106.07339	3.5
107.08590	44.3
109.06515	11.0
109.10165	51.8
111.08071	9.7
111.11718	15.8
117.07044	5.2
119.08582	21.1
121.06527	5.5
121.10142	47.9
121.20277	1.9
123.08068	6.4
123.11722	18.9
125.09618	5.5
125.13272	4.1
131.08600	3.6
133.10124	13.2
135.07988	3.4
135.11688	36.1
137.09607	5.4
137.13248	18.0
139.11208	6.7
145.08995	2.8
145.10130	23.4
147.11696	11.6
148.12018	2.8
149.09540	2.7
149.13260	9.7
151.11165	6.7
151.14879	2.6
153.12770	10.8
159.11748	5.4
161.13272	7.9
163.11201	26.5
163.14824	3.7
165.12770	5.7
173.13316	3.4
175.14862	3.5
177.16418	4.3
179.04961	3.6
179.14343	2.5
181.12283	13.1
189.16373	2.5
201.16466	2.4
215.14421	1.9
235.20752	4.2
271.24039	4.2
275.20166	9.1
289.18021	1.9
289.25299	9.2
307.19019	5.5
307.22632	14.3
307.26373	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
52.03149	0.9
53.03940	2.5
55.01878	1.8
55.05275	1.1
55.05519	15.3
57.03437	2.1
57.07070	4.7
59.05015	1.1
65.03943	2.3
67.05508	25.5
69.03441	4.2
69.07073	51.7
71.04988	3.0
76.02233	2.8
77.03892	1.2
79.05498	16.7
80.25992	0.8
81.03410	2.3
81.07062	100.0
82.07384	2.6
83.04973	1.5
83.08632	8.8
84.04500	1.9
85.06544	4.8
91.05493	11.0
91.96749	0.8
93.07050	43.6
94.07391	1.1
95.04972	6.5
95.08056	1.6
95.08615	27.7
96.08934	0.9
97.06541	10.3
97.10177	3.4
99.04478	1.8
99.08092	3.6
105.04561	1.0
105.07036	14.8
107.08600	39.9
108.08922	1.4
109.06522	9.8
109.10161	40.3
110.10499	1.2
111.08087	25.7
111.11712	9.8
113.09660	0.9
119.08582	9.7
121.06503	2.2
121.10139	12.5
123.08065	3.8
123.11721	21.7
124.12040	1.3
125.09711	1.2
127.11199	1.3
131.08539	2.9
133.10146	21.6
135.08073	1.6
135.11728	4.9
137.09622	3.0
137.13226	4.7
139.11189	15.9
145.10143	3.0
147.08018	0.9
147.11705	6.2
149.09648	0.9
149.13275	5.4
150.58719	0.9
151.07553	2.1
151.11197	46.0
151.14754	1.1
152.11510	1.9
155.10683	2.0
159.11725	3.2
161.09558	1.2
161.13235	4.2
163.11171	5.1
163.14813	4.3
165.12772	7.3
169.12263	5.2
173.13284	2.6
175.14821	2.4
177.12723	2.8
177.16415	1.5
178.13657	1.3
179.04866	1.2
179.14307	11.3
181.12234	0.8
187.14832	1.9
189.16409	3.0
191.18011	1.2
193.16014	1.2
201.16351	0.9
203.18039	0.9
207.17505	1.8
231.21033	1.0
233.11652	2.2
263.34995	0.9
271.24118	2.7
277.25357	1.0
289.18079	2.1
289.25247	8.1
290.25632	0.9
299.21609	0.9
307.18948	5.0
307.26318	71.5
308.26700	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	307.2632
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
53.03955	3.3
55.05513	20.0
57.03432	2.9
57.07069	7.1
59.05011	8.3
63.67039	1.5
66.23050	1.5
67.05506	29.6
69.03426	3.6
69.07071	44.7
71.04996	7.0
71.08630	1.9
71.29212	2.3
76.02214	4.5
79.05490	21.0
81.03408	2.7
81.07061	89.6
82.07376	2.7
83.04983	2.2
83.08207	1.6
83.08632	14.9
84.04497	2.1
85.06543	4.7
86.09700	17.4
87.10046	7.9
91.05486	15.1
93.07051	36.2
95.04974	7.3
95.08612	100.0
96.08944	2.8
97.06515	6.3
97.10171	6.9
105.07036	16.8
106.07342	2.4
107.08589	28.2
109.06509	5.3
109.10163	32.2
109.10901	1.7
111.04434	1.9
111.08047	3.5
111.11720	5.0
116.01663	2.4
117.07030	3.3
119.08579	12.4
119.56448	1.7
120.08917	2.9
121.06466	2.2
121.10152	24.6
123.08043	2.8
123.11721	22.3
125.09621	1.7
125.13248	2.2
131.08580	5.2
132.10193	3.6
132.76892	1.7
133.10132	14.1
134.10452	4.6
135.08052	1.9
135.11693	16.0
137.09676	2.0
137.13260	57.9
139.11174	5.5
145.10187	3.9
147.11670	11.4
148.12051	6.7
149.13260	17.4
151.11171	3.6
153.12727	2.0
159.07996	1.9
159.11694	4.9
161.13200	2.7
162.02216	1.8
163.14828	2.8
175.14806	2.0
189.05878	1.8
189.16333	2.0
215.57050	1.7
261.20453	4.0
271.24210	3.4
273.58044	1.6
279.21484	3.3
289.18246	2.5
289.25204	4.7
307.18649	4.3
307.26120	12.0
311.13004	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	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03936	2.2
54.94934	0.9
55.05514	17.8
57.03432	1.5
57.07077	7.2
59.05013	1.0
65.03931	1.8
65.33304	0.9
67.05506	29.6
69.03434	2.5
69.07070	43.9
69.10844	7.3
71.05003	5.3
71.08620	2.7
79.05497	16.9
80.44702	0.8
81.03423	2.5
81.07059	100.0
82.07389	2.4
83.04984	4.3
83.08627	13.4
85.06551	5.1
87.29961	1.1
91.05482	8.0
93.06483	1.6
93.07050	29.2
95.04961	5.0
95.08609	70.7
97.06537	5.9
97.10182	9.5
99.08086	2.2
105.04517	1.1
105.07024	12.9
107.08595	27.9
109.06503	2.1
109.10159	36.5
109.10909	2.0
110.10498	1.6
111.08086	7.4
111.11734	10.6
117.07029	1.0
119.08582	11.7
121.10136	21.0
123.08060	2.3
123.11710	23.2
125.09631	3.3
130.06526	3.7
131.08572	2.6
133.10101	7.2
135.08000	1.4
135.11702	18.9
137.09575	2.1
137.13264	8.3
139.11165	7.2
145.10117	4.4
147.11670	8.0
149.13251	19.8
150.13522	1.2
151.07585	1.1
151.11157	2.4
151.14821	2.1
153.12749	2.1
157.07681	2.4
158.06052	2.4
159.11707	4.0
161.13263	5.4
163.11201	1.4
163.14799	5.6
165.12793	3.4
173.13269	2.0
175.08646	1.3
175.14821	5.4
177.16393	3.8
179.14249	1.3
179.18016	1.7
187.14732	1.1
189.16354	1.4
191.17940	1.9
201.16431	2.4
215.17935	2.8
218.07413	1.2
219.07973	1.9
221.05901	1.8
242.59680	1.0
247.07539	2.9
249.05533	2.5
264.07733	4.1
265.04871	1.9
271.24234	5.2
275.07092	1.1
277.25189	1.2
279.10413	2.1
289.25275	12.2
290.25681	1.4
292.07324	3.8
307.06293	1.7
307.09616	11.5
307.15271	1.2
307.18808	4.1
307.22757	1.9
307.26324	31.1
308.06842	2.1
308.10220	2.6
308.26489	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	308.0911
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05037	1.9
57.98793	0.7
58.64005	0.3
58.99587	19.6
59.99898	0.3
65.10177	0.3
68.05032	0.4
70.57006	0.4
70.57335	0.3
73.01147	0.5
76.02229	100.0
76.03992	3.3
77.02174	0.5
77.02582	0.7
80.05018	1.5
83.06110	0.7
84.04506	44.5
85.02890	0.4
86.99055	4.5
88.02238	1.8
98.00615	0.3
101.14586	0.3
102.05540	1.0
105.40843	0.3
114.03756	1.5
116.01684	21.7
130.05006	12.3
141.04797	0.9
142.03220	10.2
144.01138	10.9
162.02203	38.3
163.02505	0.6
170.02718	3.4
179.04854	41.5
180.05081	0.9
187.05362	1.7
199.05405	0.5
205.06369	0.8
215.04849	2.6
216.03259	0.5
227.04745	0.4
233.05913	13.8
233.08249	0.7
245.05931	3.3
273.05594	0.4
290.08011	1.1
291.06375	2.5
308.09097	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	308.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	42.4
56.05039	4.2
57.03445	1.3
58.99588	23.6
60.04529	1.2
67.92014	1.3
74.00662	4.3
76.02231	100.0
76.04001	1.7
80.05003	1.6
81.07059	3.3
83.08147	2.5
83.08625	41.1
83.09118	2.3
84.04510	26.5
85.01134	1.8
86.02447	3.6
86.09708	4.4
86.99055	5.6
87.00833	4.7
88.02206	1.9
88.03987	9.9
91.05505	1.9
98.00631	2.5
100.02205	10.8
100.03972	4.5
101.00614	2.9
102.00137	11.1
103.06372	1.3
105.00084	3.7
107.08601	2.2
110.02415	2.8
116.01675	14.8
117.00126	2.6
119.04952	4.1
120.01163	6.3
122.02728	6.7
126.77744	1.7
128.03456	16.3
129.07390	2.0
130.04988	8.8
136.07562	4.1
137.06006	1.9
141.07350	4.6
142.03255	6.5
144.01141	32.8
145.02850	1.4
145.10139	1.5
146.04526	4.4
147.04424	10.7
148.00623	9.9
156.02917	6.8
156.78838	1.4
159.08391	42.3
162.02205	82.4
163.02559	2.3
164.03917	1.7
170.02710	1.7
174.03984	60.6
175.04315	2.7
179.04855	28.8
190.01698	26.2
192.03734	1.7
205.08774	1.9
206.01147	2.0
208.02769	25.2
215.04948	1.7
219.02847	2.0
220.03206	3.4
233.05907	9.5
244.09924	3.4
245.05922	1.9
248.02722	2.6
290.10669	1.8
308.05057	1.9
308.09137	3.3
309.09473	5.0
309.12921	1.5
309.16656	2.8
317.69659	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	308.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06343	0.3
57.98820	0.5
58.99586	12.6
66.94562	0.3
67.05497	0.4
69.03419	0.5
70.06579	0.6
76.02230	14.5
76.04001	0.7
79.05492	0.5
83.04961	0.6
84.04504	6.0
85.02907	0.5
86.09723	0.4
86.99057	9.0
91.05479	1.0
93.07016	0.6
95.04975	0.7
100.02206	51.9
101.02518	0.9
103.05502	0.4
105.00092	14.4
105.07015	1.2
107.04949	0.8
111.02634	0.7
116.01676	2.7
118.03197	0.3
119.04961	0.6
120.08117	1.3
121.06493	0.6
121.10130	0.9
126.03767	2.3
130.05006	2.0
132.04454	2.5
135.08073	0.4
137.04185	0.5
139.02136	4.3
139.03856	0.6
139.78297	0.3
140.04242	0.5
142.03233	1.3
144.01125	2.7
146.02708	55.6
147.02704	0.5
147.03258	0.5
147.04390	3.5
150.01245	0.4
153.01778	0.4
162.02213	5.5
163.11185	0.7
165.03706	8.1
170.02702	0.6
178.04901	0.4
178.06868	0.8
179.04877	5.6
179.08902	0.6
190.12250	0.3
206.06386	1.8
215.04849	0.5
233.05923	1.9
245.05952	0.5
252.06950	1.2
259.98160	0.4
262.12582	3.8
308.13138	100.0
309.13483	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	308.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05278	5.4
55.05517	66.5
57.07091	3.8
58.06615	6.9
67.05508	21.9
68.91514	3.0
69.07063	15.5
76.02237	18.1
79.05498	10.2
81.07067	31.8
82.07397	4.6
83.04987	92.8
83.08617	8.3
84.04514	6.4
91.05476	14.0
93.07034	18.2
95.04971	15.0
95.08614	15.6
95.96745	2.9
97.06546	5.1
97.10194	4.8
98.22589	10.7
98.53947	3.5
105.07041	17.0
107.04955	7.6
107.08581	10.6
109.06541	5.8
109.10152	7.7
116.01629	4.2
117.07047	3.5
119.08566	8.8
121.06513	7.8
121.10146	21.9
131.08568	7.8
133.10089	8.7
133.28589	3.1
134.10500	4.3
145.10193	5.5
149.09624	10.5
157.10095	5.4
159.11720	7.4
162.02223	8.1
171.11763	4.1
173.13199	3.9
179.04776	7.6
225.16412	3.8
229.08057	5.1
231.13824	14.1
276.20447	15.3
308.33148	100.0
309.22229	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
57.07078	0.5
66.04701	0.6
67.05505	0.8
69.07072	1.3
70.06342	0.3
71.08625	1.0
76.02236	1.4
79.05486	1.1
81.07059	2.7
83.08590	0.4
84.04498	0.8
91.05484	0.8
93.07054	0.8
94.04186	2.7
95.04967	0.3
95.08614	1.4
97.06566	0.4
105.07059	0.5
107.04955	0.5
107.08596	0.5
109.06502	1.5
109.10159	0.5
110.06844	0.4
116.61060	0.3
121.10123	0.4
122.03654	6.9
128.10640	0.4
130.05011	0.4
135.04468	0.3
137.05978	100.0
137.13240	0.7
138.06328	2.8
153.12770	0.3
155.14296	0.4
165.12772	1.0
172.16980	0.9
184.16930	1.8
192.28580	0.3
233.49045	0.3
240.97469	0.3
291.23141	3.1
308.22510	1.1
308.25983	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	309.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02388	1.1
52.72104	0.2
53.00344	0.2
53.03947	1.9
55.01873	0.6
56.74095	0.2
58.99593	0.3
65.03946	2.6
67.05507	3.9
68.99790	0.4
69.03424	0.4
76.02239	1.3
77.02550	0.4
77.03941	0.3
79.01860	5.7
81.03414	2.1
83.04984	1.5
84.04501	0.9
93.03406	2.0
94.70294	0.3
95.04972	18.9
96.05328	0.4
97.02911	1.2
98.23347	0.6
105.04530	0.8
107.01325	3.3
109.02203	0.4
109.02886	4.5
111.04438	2.1
116.01598	0.3
117.03397	0.9
119.04963	0.6
120.05684	0.3
120.08153	0.4
121.02851	2.3
123.00761	0.5
125.02357	5.4
127.03918	6.3
135.00768	0.3
139.03906	4.7
143.03406	7.8
145.02847	2.3
147.04430	1.4
149.05986	0.4
149.07079	0.3
153.01834	100.0
153.02911	6.5
154.02167	2.3
163.03905	0.4
171.02902	4.6
171.04347	0.6
177.05469	3.4
183.04488	0.3
189.05537	0.3
199.03874	0.3
203.03455	0.3
217.04985	0.6
245.04446	0.7
249.03772	0.2
264.17450	0.2
273.04031	0.3
296.76355	0.2
309.06042	15.2
310.06339	0.6
310.14731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.4
51.02369	1.1
53.03947	2.6
55.01867	0.8
58.24801	0.2
65.03948	2.3
67.05170	0.3
67.05496	2.5
68.99773	0.2
69.03436	1.6
71.04990	0.3
74.06084	0.2
77.03921	0.7
79.01858	4.8
81.03423	3.1
83.04985	1.2
85.02878	0.3
91.05479	0.9
93.03407	2.0
95.04970	23.8
96.05309	0.5
97.02892	1.9
99.04458	1.2
103.42995	0.2
105.04512	1.4
106.69470	0.2
107.01330	3.4
108.19401	0.2
108.45117	0.2
109.02880	4.6
111.04449	1.5
119.04954	3.2
121.02875	3.8
123.04378	0.3
125.02345	4.6
127.03915	8.4
135.04440	0.3
137.68651	0.3
139.03909	6.3
139.04984	0.3
143.03404	7.5
147.04408	11.4
148.04666	0.3
153.01831	100.0
153.02899	6.0
154.02171	2.4
158.06084	0.3
165.05420	0.4
171.02895	5.3
171.04350	0.3
217.12411	0.2
219.02937	0.9
219.06468	0.3
229.04948	0.3
248.27464	0.2
263.05283	0.3
273.03784	0.4
291.08881	0.3
309.06067	12.4
309.09473	0.8
310.06357	0.7
325.14734	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	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14655	0.2
53.03944	0.6
55.01871	0.7
55.05514	2.1
57.03425	0.7
59.05004	1.5
65.03934	0.9
67.05492	0.3
69.03426	2.4
69.07066	0.4
71.05008	0.4
71.30716	0.3
73.02914	0.6
79.05489	0.5
81.03413	1.7
81.07047	0.8
83.08615	1.0
84.08154	0.6
85.02917	0.9
91.05482	12.1
93.07008	0.3
95.04945	0.5
95.08595	1.0
97.02884	1.2
97.10267	0.3
99.04449	1.5
99.08104	0.3
100.07616	0.4
100.11272	2.0
101.11634	0.3
109.02869	1.2
111.04460	0.3
112.07587	0.4
112.43813	0.2
119.04945	24.8
120.05278	0.5
121.10113	0.3
123.11749	0.4
126.09103	0.3
127.03921	2.3
147.04410	100.0
148.04738	2.8
149.13510	0.3
153.01839	1.0
165.05489	1.3
182.15375	3.3
210.14912	1.1
234.06682	0.4
251.06863	0.3
277.08554	0.8
291.08313	0.3
309.06259	0.6
309.10004	1.2
309.16745	0.7
309.21198	0.5
310.27246	0.3
328.65591	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.5
57.03440	12.5
58.99588	1.5
59.05004	0.9
60.76872	0.7
61.02929	1.2
69.03426	3.4
70.06615	1.7
71.01349	1.8
71.04996	24.8
73.02918	5.4
75.04482	13.4
76.02222	4.9
81.03425	1.7
83.04996	8.2
83.36935	0.8
83.45911	0.8
84.04522	2.7
85.02908	100.0
86.03253	1.2
87.04479	2.6
97.02899	5.8
99.04492	1.5
101.06014	1.0
103.03957	1.4
106.81386	0.9
109.02901	1.2
111.04462	3.5
113.05987	0.8
120.08097	5.4
120.44518	0.9
127.03936	4.2
129.05482	22.4
132.65039	0.8
145.04932	1.4
147.06503	11.9
151.04010	1.1
153.01793	1.5
156.42982	0.9
162.02260	1.5
171.04413	1.1
178.51761	1.0
292.11884	1.0
324.19983	1.0
333.90021	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	309.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	30.8
56.96565	18.6
59.22475	3.5
63.98708	3.5
64.90878	3.7
67.05508	7.1
68.95472	3.0
69.03427	5.8
69.07069	11.8
69.30352	7.2
69.30764	12.9
73.11685	3.1
81.03406	7.4
81.07059	12.0
81.74608	3.0
83.05010	3.7
83.08632	3.2
91.05477	11.4
93.07069	5.0
95.04983	5.4
95.08601	12.6
97.10176	55.7
98.98459	16.8
105.07031	5.6
107.08589	7.2
109.10159	5.9
111.08049	3.2
117.36642	3.2
119.04966	19.0
119.08567	5.1
119.40337	3.0
125.09655	9.7
129.07021	4.3
134.10522	2.9
143.10669	33.5
147.04419	100.0
171.10252	5.1
178.07776	7.9
181.27968	4.0
189.07021	8.1
189.11244	4.0
190.07666	3.7
191.16516	3.1
205.06531	6.3
206.07297	12.8
207.08052	5.5
217.06512	7.7
218.07355	4.1
219.08231	3.7
221.09662	11.8
223.07533	5.1
231.08031	4.4
234.06760	27.9
235.07562	13.5
238.09761	3.7
248.08469	4.9
249.09026	29.6
249.11176	3.9
251.07072	12.7
262.06253	10.2
263.07004	5.1
266.09424	9.9
277.08575	51.0
278.09082	5.8
279.06558	3.9
281.11719	45.1
282.12128	4.3
291.12616	4.9
294.08734	10.5
294.39694	3.1
309.07431	10.4
309.11157	63.0
309.14352	17.5
309.20453	9.4
309.24484	4.6
310.07953	3.4
310.11481	10.2
327.14813	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1543
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.03952	2.0
53.07120	1.0
55.01864	1.5
55.05515	11.7
57.03432	7.2
59.04995	2.4
61.02925	11.7
63.87576	1.3
69.03433	22.5
69.07106	1.5
70.06587	2.8
71.05003	2.4
71.32382	2.2
73.02907	3.9
76.02231	2.7
77.02604	1.5
81.03432	8.2
83.08621	29.1
84.04515	2.7
85.02906	100.0
86.06075	3.5
91.03954	3.6
95.05001	1.9
97.02899	20.9
99.04465	4.5
101.09652	14.3
103.03992	1.4
109.02884	9.6
120.08091	2.6
127.03922	18.5
145.04965	21.9
147.04395	3.1
155.74722	1.2
163.06035	2.5
213.12459	1.2
236.97136	1.2
257.65839	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	309.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
59.31127	0.3
67.05492	0.4
68.99912	3.7
69.03425	0.6
79.05535	0.6
81.03409	0.4
81.07061	0.6
84.47900	0.4
85.02877	0.4
89.25987	0.4
91.05479	1.4
93.07007	0.6
95.04976	1.0
95.08680	0.7
97.02903	0.5
99.04382	0.4
104.15887	0.5
104.47569	0.4
107.08573	0.6
109.02891	0.7
109.10297	0.5
119.04948	1.7
123.04468	0.5
136.50833	0.4
147.04437	4.6
147.08014	0.4
153.06923	0.4
158.35422	0.4
211.67181	0.4
234.06747	0.6
249.09222	0.4
277.08563	0.6
291.15448	0.7
309.16724	100.0
310.17053	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	309.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80933	1.1
55.05497	3.4
57.03419	3.3
57.07071	1.4
67.05519	5.5
69.07080	5.0
69.23699	1.7
69.24088	5.9
69.88482	0.9
71.04978	1.3
79.05490	4.1
81.07069	9.2
83.04969	1.5
83.08631	2.2
85.06544	1.2
91.05489	3.5
93.07055	5.8
95.04991	1.0
95.08607	5.8
97.06503	2.1
97.10178	1.7
99.08089	2.7
105.07031	3.1
107.04994	1.2
107.08594	2.9
109.06528	1.6
109.10166	3.2
111.08064	1.1
114.71936	1.0
117.07047	1.4
117.99817	1.0
119.08565	2.5
120.04470	2.1
121.06508	0.9
121.10159	1.7
123.08018	1.2
131.08546	1.9
133.10132	2.3
135.08089	1.1
136.06323	1.0
137.09552	1.1
145.10161	1.2
147.04323	1.0
149.13390	1.1
161.09529	0.9
273.18530	1.5
282.52637	1.0
291.19537	4.4
304.60815	1.0
309.20370	100.0
310.20706	5.3
333.53662	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.99940	2.5
53.03944	5.7
55.01867	19.5
55.05513	29.6
57.03443	19.4
59.05003	3.1
65.03944	4.5
65.76989	2.9
67.05506	54.1
69.03431	5.6
69.07075	20.1
70.60257	3.3
71.04996	9.2
71.08651	3.3
79.05494	42.3
81.03430	7.1
81.07058	77.0
83.04975	29.7
83.08646	16.8
85.02903	6.8
85.06509	15.9
91.05474	35.6
93.07047	35.8
95.04977	32.8
95.08608	23.1
97.06545	9.0
97.10164	15.6
99.04463	3.8
99.08104	3.0
101.29974	3.1
104.09607	2.9
104.90972	3.0
105.07046	22.1
107.04972	7.6
107.08579	24.0
109.06503	26.2
109.10154	16.3
111.04455	34.5
111.08107	10.9
113.06011	34.1
117.07035	14.2
119.08578	36.4
121.06516	6.6
121.10146	18.9
123.04459	4.1
123.08076	9.2
125.09670	9.3
129.07065	5.7
131.08568	15.9
133.06514	6.1
133.10121	10.7
135.08073	21.2
135.11725	11.6
137.09627	3.7
143.08588	7.0
145.10127	22.1
147.08052	16.2
147.11687	4.4
149.09631	12.8
153.12779	10.1
157.10133	5.9
159.07961	4.1
159.11687	4.6
161.09639	6.8
161.13245	2.9
163.11168	25.9
165.09166	5.2
171.11748	3.9
173.09651	3.8
175.11169	3.3
177.09172	3.2
181.12274	15.1
189.11249	9.2
191.10741	10.4
198.14923	3.5
217.15967	5.2
221.19798	3.1
223.13356	7.0
227.12813	8.1
249.15010	8.1
255.17435	4.8
273.18478	36.3
275.19931	4.6
291.19537	100.0
292.19833	4.3
309.17273	4.5
309.20648	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	3.6
54.80782	2.4
55.01868	16.2
55.05514	59.4
57.03428	5.3
65.03946	2.1
67.05509	55.0
68.95015	1.9
69.03419	10.4
69.07073	32.0
69.51839	9.1
71.04993	6.6
79.05498	47.4
80.86065	1.7
81.03427	19.3
81.07059	100.0
82.07391	2.2
83.04989	19.2
83.08624	32.4
85.02917	4.2
85.06546	2.9
91.05484	25.2
93.07046	31.1
95.04974	23.2
95.08614	34.2
97.02901	2.3
97.06535	10.4
97.10172	49.3
99.04446	3.8
99.08108	6.6
105.07024	22.2
107.04969	5.3
107.08595	28.6
108.57950	1.6
109.06522	8.7
109.10158	12.7
111.04462	17.1
111.08086	9.9
111.55089	1.7
117.07043	7.6
119.04939	3.1
119.08582	20.1
121.06487	8.4
121.10141	10.8
123.04437	4.2
123.08069	39.9
123.11775	3.6
125.09637	41.6
129.07004	5.3
131.08560	9.9
133.06490	3.1
133.10135	9.0
135.08054	9.1
135.11713	8.7
137.09557	10.1
139.11151	2.3
143.08571	1.8
145.10130	12.0
147.04385	13.3
147.08029	10.0
147.11665	8.8
149.09634	7.2
149.13297	4.3
153.09106	6.3
153.12752	7.2
155.08559	1.9
157.10164	8.2
159.11775	2.9
161.09618	4.2
163.11177	32.0
164.11719	1.9
165.09131	12.5
171.10234	2.2
171.11725	3.5
173.09665	2.4
175.11183	4.9
177.12712	1.8
181.12245	9.2
189.11218	30.8
189.12823	2.0
190.11507	1.9
191.10762	9.0
193.12231	14.6
210.08859	1.8
211.13324	4.9
223.13335	3.7
227.12823	5.5
227.17972	3.1
235.13268	2.3
237.18593	2.6
249.09035	2.4
249.14871	2.1
273.18509	21.3
277.08536	3.3
281.11740	1.8
291.19559	73.1
292.19934	5.8
294.09006	2.1
309.07666	2.2
309.11182	4.9
309.20538	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	309.2052
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.30544	1.7
55.05506	6.9
57.07068	2.4
63.48579	1.6
67.05510	15.6
67.96468	1.8
69.07066	16.0
71.04962	2.6
71.29254	2.3
79.05496	14.9
81.07060	20.9
83.04983	4.8
83.08640	4.3
88.10987	1.5
91.05478	12.6
93.07048	12.0
95.04968	6.2
95.08617	14.7
97.06562	3.6
97.10178	2.8
98.75011	1.7
99.68121	1.9
104.84613	1.7
105.07034	12.1
107.04958	4.3
107.08594	10.1
109.06526	3.9
109.10165	5.7
111.04454	2.5
117.07000	3.8
119.08588	6.1
119.43753	1.9
120.04441	2.2
121.06526	5.4
121.10139	5.2
123.08076	6.0
123.11685	7.1
125.06009	1.7
129.07063	4.1
131.08585	9.9
133.06496	3.8
133.10172	8.9
135.08072	4.0
135.11703	4.1
137.13303	1.8
144.04825	2.0
145.10133	7.0
147.04453	2.2
147.08026	3.4
147.11697	6.2
149.09657	4.0
149.13272	3.4
151.11194	3.0
157.10091	3.6
159.11659	3.2
161.09641	2.2
161.13159	2.4
163.11171	3.1
171.11690	3.1
175.11218	1.8
177.12830	2.4
187.11201	2.0
189.12767	2.9
199.11304	2.2
217.12277	2.9
247.20612	19.6
249.18509	4.2
255.17456	4.2
262.36465	1.6
273.18552	6.4
291.19562	10.8
303.04218	1.6
309.20416	100.0
310.20670	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.5
55.01879	17.9
55.05521	30.2
57.03443	4.8
57.07086	7.7
64.35670	3.1
67.05511	74.2
69.03437	4.9
69.07069	30.3
71.05012	9.5
79.05499	51.8
81.07063	100.0
83.04981	19.4
83.08627	12.3
85.06552	7.2
87.04453	3.8
91.05482	61.2
93.07047	52.7
95.04970	14.0
95.08609	37.0
97.06559	9.6
98.22614	13.3
99.04482	4.6
99.08067	5.9
102.73364	3.6
102.98824	2.9
105.07045	61.8
107.04975	7.9
107.08602	51.6
109.06515	15.2
109.10162	82.6
111.04429	8.1
111.08109	9.0
116.57932	2.8
117.07008	8.5
119.08559	20.0
121.06516	12.4
121.10152	12.4
123.04471	4.8
123.08102	5.1
123.11732	9.9
123.73429	2.8
127.07574	7.0
129.07021	5.7
131.08569	10.2
133.06532	8.3
133.10141	95.6
135.08069	6.5
135.11707	10.6
137.05911	3.3
139.07524	5.0
143.08627	6.2
145.10144	12.2
147.08089	5.8
147.11696	8.4
149.09644	7.4
151.11192	64.1
157.10231	4.2
159.11722	3.8
161.09686	13.6
161.13281	4.7
163.11186	5.5
163.87436	3.3
166.61810	3.0
169.12311	14.8
171.11723	6.3
175.11185	5.4
179.10660	3.6
180.65465	3.3
187.11168	6.0
197.13374	3.3
215.12798	5.3
217.12242	3.6
229.70302	3.8
245.19154	8.4
263.20135	13.7
273.18500	25.7
274.18985	3.8
291.19598	54.7
309.20172	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03972	7.5
55.01873	11.7
55.05515	39.5
55.17497	4.7
57.03448	7.7
57.07078	6.8
67.05176	10.4
67.05510	92.5
69.07081	34.0
69.62392	28.4
71.04991	11.6
79.05495	47.5
81.07059	100.0
83.04990	18.5
83.08620	9.1
84.29688	5.5
85.06580	6.4
91.05492	68.3
93.07048	53.6
95.04981	18.1
95.08608	55.2
97.06552	16.8
97.10155	5.5
105.07025	57.4
107.04967	15.1
107.08588	45.9
109.06517	22.8
109.10159	86.4
111.04456	9.0
111.08112	11.1
117.07040	13.3
119.08603	22.8
121.06528	19.6
121.10165	14.0
123.08037	6.9
123.11732	11.3
125.05945	5.0
127.92991	5.1
130.23448	6.6
131.08551	17.0
133.06491	10.9
133.10144	97.1
133.71956	6.1
135.08073	13.8
135.11725	13.6
137.05998	6.0
141.30095	5.0
143.08630	11.2
145.10098	12.2
147.08095	9.1
147.11674	9.0
149.09659	12.2
151.11191	52.4
159.11548	5.6
161.09641	9.2
161.13252	5.8
163.11258	8.5
165.12747	8.0
166.13086	7.4
169.12306	8.2
175.11258	9.6
189.12738	7.1
245.19072	16.3
263.20129	25.1
273.18472	42.1
291.19528	89.7
291.22632	6.2
292.20038	6.0
309.20587	29.9
309.23621	8.0
310.31204	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	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
54.21560	3.0
55.01865	3.2
55.05509	13.4
56.40971	2.7
57.03432	6.8
67.05507	29.6
69.03434	3.2
69.07077	22.3
79.05492	29.3
81.03397	2.9
81.07063	39.1
83.08623	6.1
91.05489	44.4
93.07037	52.4
95.04971	49.0
95.08609	35.8
97.06515	12.3
103.05448	4.9
105.04468	3.4
105.07036	77.9
105.07761	4.3
107.08598	35.3
109.06519	5.3
109.10158	12.7
117.07014	16.1
119.08577	57.3
121.06480	8.2
121.09290	5.6
121.10142	74.6
123.08064	4.9
123.11700	9.2
128.06213	9.8
129.06999	10.0
130.07767	3.9
131.08580	29.5
133.07591	2.5
133.10120	41.8
135.08029	4.3
135.11682	9.4
141.07010	6.8
142.07784	12.9
143.08562	29.3
144.09337	8.9
145.10133	42.9
147.08058	3.2
147.11682	9.7
153.06978	3.9
155.08559	12.7
156.09352	13.5
157.10139	36.1
158.10783	4.0
159.08029	5.9
159.11705	31.8
161.09634	7.0
161.13214	5.9
165.06967	5.2
167.08604	5.7
168.09320	6.4
169.10175	21.6
170.10841	7.8
171.11681	17.9
173.09595	6.9
173.13257	17.8
175.14851	10.8
179.08554	7.4
180.09344	5.3
181.10078	8.2
182.10887	6.5
183.11682	18.8
185.09697	3.9
185.13231	12.2
187.11154	9.7
187.14818	15.4
189.12779	5.2
193.10072	9.0
194.10899	5.2
195.11736	13.4
196.12482	5.0
197.13266	17.2
199.14838	9.3
206.10933	5.0
207.11703	8.2
209.13266	12.2
210.14021	3.6
211.14833	10.5
219.11641	3.3
220.12515	4.5
221.13255	8.4
223.14771	6.9
225.12801	4.2
225.16437	7.8
234.13985	3.2
235.14793	11.3
237.16335	5.8
239.14182	3.7
239.17975	3.6
249.16458	5.0
251.17958	5.9
252.86707	3.3
253.15897	8.9
265.19778	4.3
267.17438	4.6
281.22577	8.2
291.21213	14.4
309.22110	100.0
310.22488	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
52.52576	2.0
53.03946	5.4
55.05519	15.4
57.03427	6.8
57.07069	2.7
59.60552	1.7
67.05509	25.1
69.07069	18.5
69.73469	4.8
71.04986	2.5
79.05499	23.1
81.03429	2.3
81.07057	32.3
83.04987	4.5
83.08608	4.0
91.05476	32.0
93.06478	2.9
93.07048	53.7
93.07629	3.0
95.04971	42.5
95.08616	30.8
97.06535	17.2
98.23400	2.1
103.05461	4.3
105.07034	68.0
107.04935	2.5
107.08593	31.0
109.06528	10.2
109.10159	16.9
115.05443	4.0
116.06221	2.3
117.07013	10.7
119.08586	48.1
121.06481	9.6
121.10145	100.0
123.08100	8.9
123.11699	6.5
128.06233	7.1
129.07024	10.5
130.07761	5.3
131.08566	28.4
133.06445	3.0
133.09196	3.2
133.10138	29.0
135.08046	2.8
135.11717	4.9
138.28680	1.7
141.06989	5.7
142.07791	11.7
143.08578	21.5
144.09357	5.5
145.06555	2.2
145.10130	43.2
147.08084	3.8
147.11688	7.7
154.07762	2.8
155.08545	11.3
156.09373	7.5
157.10139	30.1
158.10803	2.3
159.08034	4.4
159.11691	26.0
161.09657	7.7
161.13260	5.6
165.06989	2.2
167.08566	4.9
168.09328	3.8
169.10130	17.5
170.10902	5.0
171.08057	1.8
171.11674	17.6
173.13261	16.5
175.14772	7.1
179.08580	3.7
181.10147	5.7
182.10883	3.6
183.11656	13.3
184.12387	2.6
185.13252	9.1
186.20615	1.8
187.11259	9.2
187.14824	15.2
189.12868	3.0
190.41547	1.9
192.09424	2.0
193.10161	3.1
195.11728	8.5
196.12521	2.2
197.09634	2.1
197.13327	9.4
198.13939	2.4
199.14812	4.6
200.15671	2.7
201.12833	2.4
205.10388	1.9
206.10886	2.0
207.11751	4.3
209.13219	9.8
211.14832	7.4
221.13286	5.0
223.14810	4.1
225.16309	4.8
235.14917	4.2
239.14394	2.1
239.18024	2.7
249.16371	3.5
251.17793	2.4
253.15956	4.2
253.19470	2.1
265.19495	2.9
276.18753	2.2
281.22595	4.2
291.21136	8.8
309.22107	63.8
310.22357	4.1
332.91153	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.05510	23.5
57.03459	6.1
57.07074	30.6
67.05509	40.3
69.07075	15.4
71.04956	5.9
79.05499	32.0
80.05858	5.0
81.03413	13.1
81.07063	35.0
83.04987	15.6
83.08620	13.4
85.10189	76.8
91.05502	30.6
93.07069	26.3
95.04977	11.5
95.08594	29.7
97.06520	6.9
98.22581	8.9
105.07047	19.1
107.04977	20.0
107.08601	20.9
109.10150	8.6
113.09651	100.0
119.08598	10.5
121.10172	8.5
131.08546	10.0
135.11691	5.0
143.08623	5.1
147.11639	10.8
149.09612	28.5
157.10121	6.4
161.13206	7.3
163.11215	8.2
165.12781	66.1
175.11272	5.2
222.54082	4.8
259.20630	11.9
277.21591	30.3
326.80560	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	4.4
55.01879	7.9
55.05512	29.7
57.03424	7.0
57.07080	7.8
65.03919	3.7
67.05510	54.7
69.05997	12.9
69.06419	13.3
69.07080	20.9
71.05006	5.6
71.08637	60.0
73.01493	3.2
77.13593	3.0
79.05500	54.0
81.03426	12.8
81.07058	68.1
82.07403	4.2
83.04974	20.2
83.08624	16.7
88.62091	3.6
91.05483	41.7
91.92844	3.2
93.07051	79.4
95.04956	21.6
95.08614	47.9
97.06544	10.7
97.10175	12.0
98.22594	6.9
99.08099	54.6
105.04552	3.8
105.07036	28.9
107.04963	8.7
107.08615	41.7
109.06530	10.1
109.10173	19.8
111.04444	3.6
111.08099	5.1
117.07062	7.5
119.08577	22.6
121.10143	41.0
123.08083	11.2
123.11729	4.6
127.11186	3.5
131.08582	9.6
133.10156	15.7
135.11705	45.3
136.12126	4.0
137.09644	5.2
145.10107	6.4
147.08061	6.1
147.11768	7.3
149.13234	11.2
151.11201	22.2
157.10112	8.0
161.13280	12.9
163.11200	13.4
171.11732	3.8
177.12709	6.7
179.14317	100.0
189.12791	7.2
195.13930	3.8
223.87291	3.4
235.17046	6.8
240.28407	3.9
259.20560	7.5
277.21625	50.1
278.21973	4.3
291.19666	10.7
309.22067	6.0
310.31003	4.3
334.76236	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	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53014	1.2
53.03951	16.6
55.01869	5.8
55.05513	26.6
57.03448	2.3
57.07075	4.8
59.05020	1.5
61.85443	1.2
65.03938	2.0
67.05505	57.9
69.03426	2.1
69.07072	39.0
69.36863	6.8
71.04986	2.0
71.08633	4.9
79.05491	35.9
80.05867	1.7
81.03416	59.6
81.07053	52.3
82.03750	1.6
83.04980	17.2
83.08620	9.5
85.06532	1.7
85.10188	2.7
87.04498	1.6
91.05473	21.6
91.06010	1.6
92.05803	1.5
93.07044	35.9
95.04965	37.3
95.05562	2.9
95.08605	19.4
97.06544	5.7
97.10172	10.9
98.23319	2.7
99.08090	3.7
105.07030	19.8
106.07427	1.8
107.04962	2.3
107.08595	25.2
109.06518	9.7
109.10153	17.8
111.08114	4.9
117.07018	2.7
119.08569	11.5
121.06542	1.9
121.10152	9.9
123.08093	4.0
123.11716	5.6
125.09634	15.8
129.07039	2.3
131.08585	5.3
133.10120	16.9
133.11069	1.8
135.08046	6.4
135.11682	11.1
137.09631	2.5
137.13266	2.6
143.08629	2.9
145.10086	2.7
147.08075	2.4
147.11678	12.4
149.09680	2.3
149.13281	7.0
151.11176	49.5
152.11601	1.7
153.09123	5.0
157.10133	2.9
161.09520	1.9
161.13245	11.7
163.14839	5.2
165.12737	10.4
171.10228	2.7
171.11693	4.6
173.13225	2.3
175.11240	2.1
175.14853	5.1
177.12756	2.6
179.14310	6.3
185.13318	3.4
189.12738	3.1
193.12259	3.4
199.14899	1.8
203.12758	8.0
207.13797	5.9
217.19633	3.1
221.15280	1.8
231.17552	1.7
231.21109	10.7
241.19516	5.3
249.22116	6.0
259.20490	9.1
277.21625	100.0
278.21906	6.4
309.24271	2.1
325.36441	1.2
329.94119	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	5.8
55.01881	7.5
55.05516	35.2
57.03436	4.9
57.07075	10.1
59.04998	1.3
65.03938	2.8
67.05509	62.9
68.05848	1.6
69.03430	4.9
69.07072	33.5
69.55724	5.7
70.98454	1.0
71.04983	3.9
71.08630	15.9
71.14482	1.0
73.06547	2.2
79.05499	52.9
81.03419	6.8
81.07061	70.7
82.07414	2.0
82.10892	1.1
83.04985	16.0
83.08625	18.2
85.06534	7.3
85.10173	1.7
86.85558	1.2
91.05484	37.8
92.05812	1.2
93.07049	62.6
94.07365	2.4
95.04975	34.7
95.08613	46.2
95.10243	1.3
96.05290	1.5
97.06544	17.8
97.10170	10.8
99.08103	12.2
105.04522	1.5
105.06386	2.0
105.07044	30.3
107.04958	3.9
107.08599	28.7
108.08887	1.0
109.06522	7.3
109.10161	19.2
111.08094	6.9
113.06069	1.1
113.09686	1.4
117.07005	7.2
119.07792	1.6
119.08598	20.4
121.06524	3.0
121.10149	20.3
123.08049	7.8
123.11717	7.4
125.09621	7.8
129.07010	4.8
131.08578	8.6
133.10126	22.4
135.08011	2.6
135.11708	15.0
137.09630	5.8
137.13292	2.0
139.07555	1.4
139.11189	11.4
143.08571	3.5
145.10107	7.7
147.08017	2.8
147.11687	18.4
149.09639	2.8
149.13275	9.7
151.11182	10.5
151.14815	1.3
153.12730	3.9
155.06546	1.1
157.10143	6.4
159.11678	4.5
161.09612	1.8
161.13191	9.5
163.11200	4.6
163.14813	3.3
165.12784	12.0
167.14355	1.9
171.11674	5.5
173.13292	4.1
175.11192	4.7
175.14847	5.2
177.12694	1.1
179.14331	5.8
185.13293	3.8
189.12764	2.6
189.16330	1.8
193.12238	3.9
193.15912	4.0
199.14879	1.4
203.12781	2.3
203.14478	1.3
207.13821	4.0
217.19688	2.0
221.15408	5.6
231.21100	4.6
235.16896	1.3
241.19469	5.6
249.22179	5.3
259.20511	9.6
277.21634	100.0
278.21982	7.4
291.23264	3.8
295.22760	3.2
300.47113	1.1
309.24237	35.8
309.29898	4.2
310.24527	2.2
310.27673	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	3.4
54.33138	1.2
55.01875	63.1
55.05513	30.3
57.03431	3.2
57.07079	10.2
59.04995	1.2
65.03928	1.6
65.32496	1.1
67.05509	39.4
69.03439	1.7
69.07068	19.5
71.04993	3.0
71.08636	6.3
79.05494	19.5
81.03423	4.9
81.07059	44.2
83.04986	17.0
83.08623	16.6
85.06539	2.4
85.10180	18.1
91.05482	24.1
91.06026	2.3
93.07039	23.8
93.63052	1.2
95.04969	9.1
95.08607	31.9
97.06532	25.8
97.10161	4.0
98.13239	1.0
99.08120	5.5
105.07027	16.7
107.04975	5.0
107.08588	12.1
109.06513	6.5
109.10146	10.5
111.08086	46.4
113.09645	20.6
117.07013	1.1
119.08593	13.4
121.10159	9.9
123.08080	5.9
123.11690	6.4
125.09617	3.2
127.07593	1.5
129.07001	2.4
131.08601	5.3
133.10135	19.2
135.11694	8.9
137.09673	1.7
137.13234	3.1
139.11198	4.3
142.25839	1.1
143.08492	1.9
145.10063	2.3
147.11688	14.6
149.09596	7.7
149.13252	7.8
151.11166	8.4
151.14751	1.8
153.09109	1.6
153.12752	5.2
157.10141	3.7
159.11694	3.7
161.09627	1.4
161.13272	7.2
163.11224	3.7
163.14799	2.3
165.12764	21.9
166.05051	1.3
166.13112	1.6
171.11714	2.4
173.13245	1.9
175.11183	2.1
175.14862	5.2
177.16415	1.2
179.14284	7.0
181.12230	1.2
185.13239	2.1
189.12802	1.8
193.12100	1.4
193.16023	1.8
203.14400	1.4
221.15411	2.7
228.99382	1.2
231.21124	4.4
241.19576	4.0
249.22168	10.1
259.20480	8.6
277.21637	100.0
278.21939	7.3
290.65369	1.1
295.22681	3.9
309.24408	12.5
309.29807	5.0
309.33044	2.5
310.27417	2.0
310.31470	1.4
310.34601	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	309.2423
Annotation	Yaretol
Peak:m/z	Relative Intensity
53.03941	1.4
55.01871	2.3
55.05512	13.4
56.05850	0.6
57.03431	1.1
57.07075	4.1
59.04993	0.6
64.86475	0.4
65.03944	0.8
67.05505	15.1
69.03422	1.7
69.07068	16.3
71.04991	3.0
71.08237	0.8
71.08631	15.4
73.06560	0.8
79.05493	10.9
81.03410	0.8
81.07056	25.7
82.07381	0.6
83.04987	3.2
83.08617	7.1
85.06543	1.6
85.10197	0.6
88.07510	0.5
91.05479	5.2
93.07046	21.1
94.07356	0.6
95.04971	3.9
95.08609	19.0
96.08939	0.5
97.06527	6.3
97.10172	4.0
98.23386	1.1
99.08096	8.9
99.08735	0.5
105.07030	7.7
107.04998	0.5
107.08598	13.4
109.06516	5.9
109.10165	6.9
110.10521	0.5
111.08086	2.8
113.09660	1.0
117.06993	0.9
119.08575	5.8
120.04429	0.9
121.06483	1.0
121.10130	7.2
123.08076	2.3
123.11705	2.6
125.09621	1.4
129.07283	0.7
131.08563	2.3
133.10101	3.9
135.08093	0.7
135.11699	2.4
137.09622	1.0
137.13283	0.8
139.11169	0.8
141.12721	0.6
142.70155	0.4
143.08571	1.0
144.04800	1.1
145.10181	1.2
147.11673	2.2
149.13269	4.4
151.11214	1.8
151.20483	0.5
153.12738	2.5
157.06842	0.6
157.10162	1.2
159.11668	0.6
161.13251	2.8
163.14827	2.2
165.12753	13.5
166.04924	0.5
167.14340	1.6
171.11702	0.7
173.13264	0.8
175.14784	2.6
177.12708	0.6
179.14323	1.6
185.13255	1.4
189.16370	0.8
191.14301	0.7
193.12248	0.8
193.15865	6.1
199.14784	1.3
235.16881	2.6
254.94827	0.6
255.20930	0.7
263.23727	1.0
273.22226	1.3
277.21622	0.9
291.23187	29.2
292.23505	2.0
309.24234	100.0
310.24557	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03947	3.2
55.01866	2.3
55.05513	34.6
57.03432	3.4
57.07069	11.0
59.04998	5.7
67.05509	24.8
69.03416	2.4
69.07072	100.0
70.84380	3.1
71.04997	4.9
71.08621	2.8
73.06553	2.7
76.02190	1.9
79.05491	18.7
79.56906	1.7
80.07016	1.6
81.07058	94.8
82.07375	1.7
83.04975	9.7
83.08624	27.3
85.06535	8.2
91.05471	7.3
93.07038	26.7
95.04963	7.6
95.08612	70.0
97.06511	6.1
97.10167	9.8
99.08094	8.3
105.07027	10.7
107.04937	2.0
107.08601	23.0
109.06490	2.7
109.10159	31.9
111.08068	6.8
111.11720	20.6
119.08567	7.1
121.06525	2.0
121.10138	15.4
123.08052	5.0
123.11702	15.3
125.09629	5.0
127.11172	1.9
131.08530	2.4
133.10114	4.8
135.11693	14.1
136.55785	1.7
137.09596	3.2
137.13261	27.0
139.11131	13.4
145.10153	2.0
147.11748	4.1
149.13248	12.0
151.14729	2.5
153.12730	5.2
161.13202	4.0
163.14795	5.9
165.09195	2.1
165.12766	3.0
167.14275	2.1
177.16336	2.3
189.11249	2.7
203.17943	3.0
227.20097	3.5
239.20094	2.1
242.57628	2.5
273.18533	2.1
273.25668	2.1
291.19479	5.3
291.26865	7.1
309.20462	2.2
309.27899	19.0
310.28146	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	310.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.4
70.54542	0.6
76.02238	0.4
78.01794	1.0
79.05495	1.6
84.04501	3.2
85.02926	0.4
89.03915	8.6
95.04993	0.4
102.05547	0.8
103.89939	0.3
107.04964	1.9
117.03384	11.6
118.03698	0.4
119.04964	0.4
126.05518	4.8
127.05900	0.3
130.04994	2.9
135.04419	21.0
136.04773	0.7
145.02853	14.7
148.04918	0.6
148.06049	3.4
153.01854	0.5
154.02228	0.4
154.05000	6.8
155.05099	0.3
158.53262	0.3
163.03905	100.0
164.04237	3.7
186.05405	0.4
194.04362	0.5
234.01575	0.6
262.01056	0.4
267.13147	0.6
300.64420	0.3
309.06876	0.4
310.01642	0.4
310.09213	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	310.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36579	0.6
63.02375	0.8
67.05492	0.8
69.07057	0.7
69.31057	2.4
69.31482	1.6
76.02215	0.8
78.01798	2.4
79.05473	1.0
83.04961	1.2
84.04491	1.5
88.03986	4.3
89.03918	7.6
91.05480	1.4
95.04985	1.7
95.08591	0.6
96.05273	1.0
103.05466	0.8
105.07043	3.8
106.04157	0.7
107.08590	1.8
116.52200	0.6
117.03384	27.3
119.08595	1.8
121.06494	0.7
121.10109	0.9
122.09615	0.6
125.04218	1.3
134.03592	3.3
135.04407	1.5
137.04202	3.8
139.05763	3.9
144.54141	0.7
145.02847	57.9
145.10182	0.6
146.03165	1.4
147.04344	0.7
147.11673	2.7
149.05984	9.8
153.01846	4.8
154.02165	7.3
159.11661	1.4
161.13298	1.4
162.03166	0.8
163.03908	2.7
164.01750	1.1
165.75432	0.6
172.03242	0.6
177.05470	100.0
178.05830	2.4
181.10497	1.9
187.11316	1.0
189.12701	3.0
191.14313	0.8
193.10475	1.0
198.72069	0.6
205.10579	0.6
212.07448	1.4
221.09903	1.6
223.11516	4.3
223.18826	0.6
226.08899	1.2
255.33675	0.7
265.09723	1.5
279.10138	0.7
310.06378	1.7
310.14688	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	310.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45868	0.3
59.57322	0.3
63.02392	0.3
69.78690	0.6
69.79113	1.1
70.62464	0.4
73.91173	0.3
78.01794	0.4
79.05482	1.7
84.04501	3.0
89.03922	6.7
93.55756	0.3
96.09191	0.4
98.22569	0.4
102.05548	0.8
107.04945	2.4
113.13062	0.3
117.02602	0.7
117.03387	9.9
117.04232	0.5
130.05002	2.8
135.04425	18.4
145.02856	12.4
145.03938	0.6
146.03195	0.5
147.04301	0.4
148.06006	2.8
163.03908	100.0
164.04243	3.3
173.22000	0.3
237.01941	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	310.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45506	1.0
70.33258	2.7
74.29944	0.9
78.01799	1.6
84.04514	1.7
89.03926	12.3
100.02226	2.1
101.22071	1.2
117.03391	29.7
134.03638	1.6
135.04428	3.5
145.02853	59.3
146.02786	3.9
147.04439	1.4
149.05984	10.0
153.01781	1.2
154.02148	1.3
163.03908	11.6
177.05475	100.0
178.05846	3.4
210.26036	1.1
240.72981	1.1
310.14633	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	310.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.0
55.09838	0.5
55.43108	0.5
58.99594	7.0
65.89143	0.5
67.05506	0.6
68.31533	0.6
69.03427	1.3
69.07072	1.0
69.41432	3.0
70.02959	3.6
70.06577	0.6
76.02222	1.1
77.25932	0.5
78.01805	1.6
79.05501	1.2
81.07061	0.9
83.04999	4.7
84.04514	0.9
84.08161	1.4
86.99066	5.6
88.03484	1.1
88.03999	19.1
89.53979	0.7
91.05482	2.8
93.07061	1.7
95.04974	1.3
96.05328	0.6
97.01141	0.8
100.02211	29.6
102.50036	0.7
105.00101	8.8
105.07040	10.8
106.07853	0.9
107.08595	5.1
108.08107	1.4
111.02683	2.1
117.07018	0.7
119.04917	0.6
119.08589	8.3
120.01153	0.8
120.05289	0.7
120.08103	0.7
121.10157	2.5
122.09689	1.0
123.08066	1.0
125.04220	2.9
130.41769	0.6
131.08588	1.8
133.06567	1.5
133.10130	3.2
136.06339	0.7
137.04214	16.0
139.05766	11.8
140.05307	1.1
141.07318	0.8
144.01180	1.1
144.09410	1.2
145.02852	1.4
145.10133	1.8
146.02716	41.9
147.04462	2.3
147.08102	1.1
147.11694	11.5
147.12761	1.1
148.04721	2.6
148.12431	0.6
149.13199	0.7
150.09178	0.6
151.05818	1.3
153.01862	1.4
154.02228	1.5
158.07932	0.9
158.18498	0.6
159.11708	4.9
161.09615	2.0
161.13266	6.1
163.05777	2.1
165.05519	0.7
165.07301	1.4
166.06886	2.0
167.05249	1.6
171.11653	0.9
173.09579	1.1
174.10432	1.2
177.05513	1.5
179.05199	0.7
179.08974	2.8
180.08385	1.0
181.04526	1.0
181.10478	5.1
187.11224	2.7
188.11874	0.9
189.12741	12.5
189.14371	0.9
191.14336	3.3
193.10449	3.0
205.10555	0.7
205.14676	2.0
206.15448	1.4
207.40361	0.6
208.07974	1.4
209.06311	1.5
212.07420	5.4
221.09929	7.1
223.11525	18.0
224.11758	0.6
226.08987	3.5
228.10641	0.6
247.11542	0.8
251.10895	1.5
252.10640	3.1
253.11488	0.8
254.08450	0.8
264.14117	1.8
292.13406	1.2
292.26227	0.6
293.12091	2.9
310.14716	100.0
311.14996	6.4
329.39249	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	310.1471
Annotation	SB 218655
Peak:m/z	Relative Intensity
51.36012	0.6
55.05502	0.5
57.98805	0.5
58.99295	0.8
58.99589	13.5
69.10286	2.6
70.06634	0.4
76.02237	0.9
78.01817	0.6
86.99059	9.3
89.03946	0.5
100.02208	65.6
101.02557	0.8
103.05558	0.4
105.00098	19.3
105.07041	1.1
109.10150	0.4
117.03377	1.2
118.01238	0.5
119.08592	0.9
125.04221	0.4
131.08571	0.7
132.93878	0.4
138.05566	0.4
144.01152	0.7
145.02884	1.5
146.02711	89.9
147.03023	1.1
147.04344	0.7
147.11694	0.7
148.04776	0.7
165.05533	0.9
177.05469	2.8
232.57155	0.4
264.14218	1.7
310.14713	100.0
311.15039	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	310.2015
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.03970	0.5
55.05514	10.1
57.05824	0.6
57.17756	0.5
57.35511	0.5
58.19076	0.5
67.05511	4.8
69.07073	1.4
69.95980	1.7
72.08160	100.0
73.08495	0.9
79.05505	5.0
81.07063	8.7
83.04992	4.0
91.05486	10.7
91.06017	1.0
92.05822	0.6
93.07047	13.9
95.04985	3.4
95.08607	2.7
97.81386	0.5
105.07034	14.8
107.08607	4.0
109.05795	0.9
109.06527	11.3
109.10179	1.5
111.08117	3.3
114.09182	5.5
117.07043	0.6
118.08659	35.6
119.08562	4.2
121.06517	0.5
121.10178	1.5
123.08112	1.3
129.07051	0.6
131.08585	4.5
133.06517	1.4
133.10141	19.5
135.08020	0.6
141.24213	0.5
142.08664	1.7
145.10153	0.5
146.73392	0.6
147.08116	0.5
147.11690	14.4
149.09654	1.9
149.13338	0.9
151.07596	3.6
151.11189	48.2
152.11588	1.5
157.10114	1.0
165.12791	2.1
167.14412	0.6
170.55988	0.5
175.11205	4.5
193.12238	5.1
198.27214	0.6
208.13567	0.6
246.18579	6.6
264.19604	22.3
265.19882	1.0
292.19101	6.3
310.20129	13.3
310.23566	0.9
311.20410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1237
Annotation	gamma-Glutamyltyrosine
Peak:m/z	Relative Intensity
56.05037	3.4
59.05001	20.9
61.50746	1.1
65.20737	1.2
67.05502	4.1
69.07070	2.2
70.06597	41.3
70.75242	2.5
71.04996	23.2
78.12704	1.1
78.82520	1.0
84.04508	66.0
85.02911	7.0
85.92493	1.2
87.03176	1.6
91.05486	18.1
93.07055	1.7
95.04971	14.8
101.06009	15.1
103.05478	1.2
107.04955	2.1
113.06010	50.2
116.07078	3.3
119.04942	33.9
120.08094	6.9
120.78712	1.5
121.08469	2.8
123.04429	43.8
124.04788	1.4
127.03998	1.5
130.04988	14.3
131.07054	20.8
136.07582	100.0
137.07921	2.6
147.04427	19.8
148.31729	1.3
149.08083	18.6
162.09164	2.8
165.05479	79.0
166.05800	2.9
166.08701	3.5
182.08139	67.5
183.08473	3.9
195.80965	1.3
197.09244	2.4
202.08694	13.3
208.09740	2.6
213.12352	12.9
248.09235	8.1
279.01093	1.3
294.09720	10.6
311.12317	9.8
325.97134	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	311.1335
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
56.05051	3.0
59.05002	18.5
67.05505	8.0
67.58549	2.4
69.07058	4.3
69.30529	13.8
70.06594	100.0
71.04995	23.3
78.01814	3.4
78.35468	2.3
84.04503	12.3
84.08172	3.2
85.06581	2.7
86.09717	4.5
91.05486	11.6
95.04980	3.9
101.06017	17.0
107.77746	2.2
113.06007	54.7
116.07085	8.8
119.04967	7.1
120.05343	2.5
121.06517	3.8
127.83427	2.7
131.07054	23.6
136.07576	54.1
137.07925	5.8
147.04440	3.8
148.06113	2.9
149.08102	16.4
197.09187	8.8
202.55667	2.6
213.12364	23.9
245.61763	2.6
272.15347	3.1
309.87854	2.5
311.12686	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	311.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.7
59.04723	2.1
59.05005	38.7
67.05505	9.8
67.05794	1.5
69.03436	3.0
69.07060	4.6
69.38885	3.9
69.39284	8.6
70.06596	21.4
71.04999	53.8
79.73090	1.6
84.04493	4.7
85.02894	12.0
85.06536	3.5
87.03347	1.6
91.05476	2.4
95.04992	8.7
97.02872	2.2
101.06020	32.7
105.07030	1.8
113.06010	100.0
114.06332	1.7
116.07104	3.5
119.04900	2.5
120.08107	3.2
123.04393	2.7
129.61729	1.7
131.06128	3.2
131.07047	38.1
131.07947	3.2
136.07558	8.3
149.08093	33.1
165.05464	8.4
175.43034	1.9
182.08109	4.7
189.50450	1.5
202.08643	1.8
213.12352	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	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
54.11766	0.9
55.01876	1.6
55.05507	5.5
57.03433	3.4
59.28099	0.9
61.02931	1.3
61.39883	1.0
67.05490	3.3
69.03429	15.9
69.88662	4.1
70.06251	0.8
70.06583	4.4
71.04996	2.2
73.02934	1.5
73.68618	0.9
75.04468	1.2
75.61686	1.0
77.03953	0.9
79.05495	42.3
79.82861	0.9
81.03416	14.5
81.07053	5.1
81.12259	0.9
85.02907	11.7
90.91337	1.3
91.05486	19.6
93.07046	100.0
95.04960	7.4
95.08611	2.2
97.02889	7.2
99.04457	3.1
103.04000	1.1
103.05476	2.1
105.04507	1.9
105.07019	9.8
107.08594	22.1
109.02892	5.0
109.06577	1.5
111.08105	2.5
117.06988	1.2
119.08591	12.2
121.06489	2.8
121.10144	82.1
122.10516	1.4
123.08098	1.4
123.11666	1.0
127.03909	3.9
129.07010	1.2
131.08557	3.3
133.10165	2.1
145.10143	2.4
149.09601	10.7
158.87550	1.0
163.03859	1.6
163.11139	1.7
166.82999	1.0
167.10718	5.1
191.03412	3.0
213.12317	1.4
214.12827	1.2
251.10846	1.3
279.10184	1.7
293.13824	3.2
311.15039	2.3
311.18274	2.9
320.47299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.8
55.01868	1.6
55.05518	6.4
57.03428	4.1
61.02929	1.0
63.74561	0.8
65.03921	0.9
67.05518	4.6
69.03432	18.6
69.07069	1.4
69.25726	5.5
71.04999	2.0
73.02924	2.1
75.04473	2.1
77.03942	1.5
79.05499	46.8
80.05837	1.1
81.03429	19.4
81.07076	6.2
85.02912	16.1
87.04479	1.2
91.05488	21.6
93.07050	100.0
94.07398	2.5
95.04974	8.4
95.08598	4.0
97.02895	8.7
97.06547	2.6
99.04454	3.4
103.05489	1.6
104.05003	0.9
105.04522	2.3
105.07027	13.8
106.41851	0.9
107.04942	2.7
107.08603	25.1
109.02884	7.2
109.06512	2.6
111.08098	2.6
112.43330	0.8
117.07037	1.2
119.08577	15.3
121.06512	3.9
121.10149	86.9
122.10498	2.2
123.04395	1.6
123.08090	2.6
123.11639	1.4
127.03932	5.0
129.07010	1.6
131.08580	4.2
133.04929	1.3
133.10143	1.4
135.04407	2.5
135.11671	1.4
137.06004	2.0
139.11198	1.6
145.06551	1.0
145.10141	2.2
149.09625	11.9
163.03928	4.3
163.11281	1.7
167.10674	5.5
173.09592	1.5
178.04988	1.3
190.04996	9.8
205.06424	1.0
223.07486	3.0
251.07037	1.2
259.11142	0.9
284.09241	2.6
293.13773	3.5
311.14838	4.3
311.18332	3.3
311.23322	1.0
312.08667	2.6
312.12112	1.2
312.15518	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	311.1489
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
52.14500	0.9
53.03947	7.9
55.01868	2.2
55.05512	1.7
57.03442	3.6
67.05499	1.5
69.03430	26.8
70.86230	1.1
71.04986	2.8
73.02901	3.1
75.55187	0.7
77.03899	0.7
79.05497	15.7
81.03419	45.2
81.07070	7.1
83.04977	1.0
85.02911	11.8
87.04456	2.4
91.05483	17.6
93.07043	48.6
94.07381	0.9
95.04961	2.8
95.08607	2.4
97.02887	6.6
97.06512	1.3
99.04458	5.3
103.05499	3.9
105.04533	1.2
105.07030	30.1
106.07815	2.2
107.08590	6.9
109.02875	14.6
109.06535	3.5
111.04441	0.9
111.08096	1.1
115.05451	0.7
116.06209	3.5
119.08591	6.7
121.06516	5.6
121.10141	100.0
122.10475	3.2
123.08089	5.2
123.11713	2.5
125.06003	1.2
127.03905	4.7
129.07013	2.5
131.08560	11.4
133.07593	4.1
139.11191	5.4
145.05016	0.7
147.08022	1.0
149.09618	61.8
150.09976	1.1
167.10678	4.9
168.11165	0.9
177.17387	0.8
213.07643	0.8
251.12787	1.8
253.93074	0.8
266.21167	1.1
293.13849	22.0
294.14154	1.3
294.20688	2.5
311.14996	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	311.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01867	2.2
55.05506	2.9
57.03432	4.8
57.07062	1.0
59.05001	1.1
61.02929	1.8
65.59812	0.9
66.72585	0.9
67.05507	2.7
69.03431	23.7
69.07053	0.9
70.01439	3.2
71.05004	2.1
73.02923	1.8
75.04485	1.2
79.05498	22.8
81.03422	35.5
81.07050	5.9
83.04967	1.6
85.02911	13.6
89.03909	1.3
91.05487	23.7
93.07047	78.1
94.07394	2.0
95.04965	4.6
95.08600	3.7
97.02885	6.2
97.06561	1.2
99.04435	4.6
103.05467	4.7
105.04520	2.2
105.07032	21.8
105.84682	1.1
107.04935	2.4
107.08595	12.3
109.02892	11.6
109.06535	2.3
111.04481	1.0
111.08086	2.4
116.06245	1.4
117.03394	2.3
117.07011	1.5
119.07772	1.9
119.08587	23.7
121.06515	17.4
121.10148	100.0
122.06836	1.6
122.10518	2.5
123.08098	4.5
123.11713	1.9
124.70602	0.9
127.03891	4.9
129.07033	1.4
131.08554	7.5
133.07603	2.4
133.10130	2.2
136.07590	2.2
137.05988	1.3
139.11182	3.8
143.08594	1.4
145.02843	5.6
145.04987	1.2
149.09627	39.4
150.09947	2.0
167.10683	6.2
177.04012	1.5
177.05479	14.8
184.53528	0.9
186.04065	1.0
189.09195	1.3
192.06566	4.6
219.08112	1.4
293.13815	14.2
294.14236	1.7
311.15222	2.2
311.18295	1.9
312.12344	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	311.149
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
53.03955	8.2
55.01870	2.8
55.05508	2.8
56.05031	0.7
57.03450	4.9
61.02933	0.8
67.05502	2.7
69.03433	28.0
69.14095	4.7
71.04988	1.9
73.02918	1.8
75.04492	0.7
75.50697	0.6
77.03903	0.6
79.05499	25.1
80.06243	0.6
81.03422	42.8
81.07059	4.7
82.03748	0.8
85.02908	15.0
87.04465	1.4
91.05487	21.5
93.07048	85.8
94.07383	2.3
95.04975	4.8
95.08592	3.4
97.02916	6.6
97.06529	0.6
98.41805	0.7
99.04471	4.0
103.05470	2.4
105.04517	1.7
105.07034	21.6
106.07828	0.8
107.04961	1.9
107.08597	14.1
109.02885	16.0
109.06504	1.7
111.08094	1.7
115.05454	0.7
116.06232	2.3
117.07019	1.1
119.08582	17.0
120.08147	0.8
121.06540	3.5
121.10149	100.0
122.10455	3.0
123.08046	3.4
123.11700	2.2
123.94597	0.7
127.03935	5.7
129.07030	0.8
131.08575	11.1
133.07628	2.4
134.07306	0.8
137.05940	0.8
139.11185	3.5
145.04910	1.1
149.09625	43.8
150.09976	1.8
167.10670	6.7
180.10208	1.3
190.04988	1.8
251.12807	0.7
293.13818	15.6
293.16931	1.1
294.14078	1.1
301.38721	0.6
311.15088	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	311.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46826	0.9
50.85988	0.9
53.03949	8.1
55.01870	1.4
55.05507	3.5
57.03438	5.3
59.96239	0.9
61.02927	2.5
65.12807	1.0
67.05508	2.3
69.03133	0.8
69.03435	22.2
70.71838	1.0
71.04996	1.9
71.29115	1.6
73.02934	1.5
75.04498	1.2
77.03950	1.2
79.05497	34.8
81.03421	29.2
81.07065	4.2
81.61819	1.0
85.02914	13.3
91.05486	21.0
93.07050	100.0
94.07410	1.1
95.04976	4.8
95.08628	2.3
96.24098	1.0
97.02895	9.6
99.04458	5.3
103.05506	1.3
105.04494	1.7
105.07027	12.7
107.08603	21.4
109.02888	11.7
109.06556	1.4
111.04471	1.2
111.08102	2.7
117.07050	3.6
119.08598	19.7
121.06496	3.2
121.10152	85.2
122.10487	2.0
123.08037	1.5
127.03912	6.2
129.06993	2.2
131.08577	7.4
133.10138	2.2
139.11234	1.8
145.04991	1.0
147.11731	1.2
149.09628	17.9
157.10153	1.0
163.11171	1.7
166.03824	0.9
167.10674	6.6
197.03302	1.1
207.07713	1.1
211.11153	1.2
255.66084	1.2
283.15637	1.6
293.13846	9.0
311.14981	2.8
311.27893	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	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97385	0.9
53.03948	6.1
55.01873	2.7
55.05513	4.4
55.73890	0.9
57.03435	4.4
61.02929	1.8
67.05515	3.2
69.03432	26.0
69.07074	1.2
70.66775	1.9
71.05004	2.3
73.02920	2.2
75.04496	1.4
77.03893	1.1
78.35337	0.9
79.05495	32.6
81.03419	31.8
81.07059	5.8
85.02909	13.3
87.04449	1.7
91.05481	24.1
91.06016	1.8
93.07043	100.0
94.07383	2.3
95.04976	5.4
95.08592	4.5
95.47803	1.0
97.02911	7.9
97.06542	1.4
99.04469	3.5
103.05489	2.1
105.04536	2.2
105.07033	15.2
105.07672	1.3
107.08605	22.5
109.02882	11.1
109.06534	1.8
111.08092	2.8
115.05464	1.0
116.06233	1.5
119.04919	1.3
119.08588	11.5
121.06528	2.7
121.10145	88.0
122.10508	2.4
123.08085	2.1
127.03895	5.9
129.06960	1.2
131.08553	9.5
133.07625	2.1
137.05984	4.2
139.11191	3.2
145.04907	1.3
145.10162	1.6
145.21696	1.0
147.04388	1.9
149.09616	26.5
167.10712	3.8
174.38448	1.0
191.08517	1.9
219.08128	2.5
251.10695	2.9
279.10159	2.4
293.13937	9.2
298.56836	1.1
311.09229	1.8
311.12372	1.4
311.15427	1.2
311.21915	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	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22832	0.8
51.02364	0.7
53.03957	6.3
53.98965	0.7
55.01877	1.3
55.05518	6.3
57.03446	5.2
59.04991	0.8
61.02924	1.0
65.03947	0.9
67.05515	4.1
69.03436	17.9
69.07065	1.4
69.12495	1.3
69.12892	4.5
71.04990	1.5
73.02926	1.6
75.04482	2.8
77.03925	1.7
79.05498	38.0
80.05840	0.7
81.03425	16.3
81.07050	5.8
85.02911	11.2
87.04443	0.6
91.05485	21.3
93.07051	100.0
94.07377	1.8
95.04987	7.2
95.08643	3.3
95.29633	0.7
97.02902	10.2
97.06538	1.9
98.22646	1.5
99.04477	3.8
101.02415	1.0
103.05515	1.5
105.04524	1.4
105.07034	12.6
105.07680	1.2
106.07875	0.8
107.04979	1.0
107.08598	28.5
108.08962	0.8
109.02891	6.6
109.06538	2.0
111.04443	0.6
111.08100	2.6
117.07032	1.3
119.08595	12.3
121.06570	4.5
121.10152	88.8
122.10484	2.0
123.08071	1.8
123.11713	1.3
125.09647	0.7
127.03912	5.6
129.05490	0.8
129.07022	1.0
131.08574	4.8
133.07617	1.0
133.10139	1.1
135.08144	1.0
137.05984	0.9
139.11214	1.7
143.08591	0.7
145.05003	0.9
145.10115	2.2
147.08075	1.2
149.09633	11.7
151.11214	1.1
157.10136	0.9
159.07986	0.9
161.09702	0.9
163.07539	0.8
163.11198	1.7
165.09238	0.8
167.10713	6.1
173.09657	1.2
191.10658	1.6
293.13828	5.7
310.27420	1.3
311.14920	3.0
311.27686	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03954	6.7
55.01876	16.2
55.05510	42.2
57.07077	26.6
61.39594	6.4
66.18187	5.6
67.05508	95.2
69.03408	12.9
69.07064	32.4
71.04988	10.1
79.05493	75.8
81.07066	100.0
82.91566	7.4
83.04997	25.0
83.08628	21.5
85.06554	19.8
91.05489	53.5
93.07057	83.9
95.04978	11.8
95.08610	81.1
97.06528	36.1
97.10172	12.3
105.07027	68.3
107.04961	7.3
107.08604	52.5
109.06548	18.7
109.10175	28.2
111.08106	12.1
113.09629	7.7
117.07043	15.1
119.08553	49.9
121.06490	14.7
121.10163	53.7
123.08070	14.1
123.11716	16.4
125.09665	10.6
129.07037	9.0
131.08551	29.8
133.10143	45.7
135.08086	10.5
135.11678	52.0
139.11258	7.2
141.06999	7.7
143.08594	6.6
144.06281	9.1
145.10126	26.7
147.11711	38.2
149.09654	24.9
149.13239	19.1
153.12680	9.9
157.10143	15.3
159.11676	17.2
161.09674	10.9
161.13268	26.1
163.11237	14.0
165.12790	14.1
169.10077	5.8
173.09618	7.5
173.13272	16.8
175.14839	11.6
177.12785	8.4
183.11728	12.1
191.14363	14.3
193.12239	7.8
201.12790	9.2
209.11646	7.1
215.17998	18.3
219.13837	7.1
229.19626	17.5
231.21117	19.0
233.19159	6.0
237.11198	9.8
239.17941	20.0
247.20587	18.9
247.69016	6.8
249.22185	30.9
251.20045	23.3
257.19031	27.1
275.20071	95.9
293.21127	95.5
304.66769	6.7
311.12915	20.5
311.22137	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03955	3.9
55.01873	27.6
55.05515	37.9
57.03429	6.6
57.07079	31.7
65.03949	3.5
67.05506	31.0
69.03418	4.3
69.07064	19.2
70.33123	2.2
71.04987	8.4
71.08644	3.4
79.05502	45.9
81.03448	5.0
81.07056	53.8
81.37881	2.2
83.04972	31.3
83.08621	23.4
91.05474	25.5
92.05804	2.8
93.07039	27.6
95.04976	12.2
95.08606	24.3
97.06530	31.0
97.10165	30.1
99.08098	3.0
105.07021	21.3
107.04963	7.8
107.08593	68.3
109.02865	6.0
109.06531	8.1
109.10169	10.9
111.04447	26.0
111.08107	5.4
113.06040	5.4
113.66113	2.3
117.07031	6.8
119.08586	15.1
121.06523	6.4
121.10148	12.0
123.08097	4.9
123.11718	3.5
125.06015	14.3
125.09626	49.3
131.08553	11.4
133.10147	10.8
135.04454	6.2
135.08043	7.1
135.11662	10.8
137.09602	4.4
139.11176	3.9
141.07195	1.9
145.10158	11.6
147.11694	6.2
149.09607	8.7
151.11226	3.7
153.04233	3.5
153.05455	25.9
153.12703	11.2
157.10117	2.8
159.08083	2.0
159.11761	7.1
163.11226	12.8
166.26486	2.5
167.10713	6.0
169.10074	3.5
171.11742	2.4
173.13307	3.8
177.12778	5.8
181.04984	5.1
181.12238	11.9
185.10751	2.1
189.11191	16.6
191.10678	15.7
193.04948	4.3
203.49078	2.0
205.12305	3.7
209.11726	100.0
210.12022	4.0
211.13329	4.8
213.14763	3.1
223.13264	12.1
237.11208	84.4
238.11586	3.8
251.16478	3.3
255.12317	17.0
256.25854	2.5
257.18976	4.2
275.20041	45.0
276.20508	4.5
280.88745	2.7
283.23389	2.4
293.17838	2.5
293.21066	37.1
311.19064	2.5
311.24765	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01872	25.6
55.05507	29.5
57.07075	75.0
67.05511	49.1
69.07076	43.5
70.04068	6.2
71.04986	6.8
71.29214	6.1
74.72378	6.3
79.05497	30.9
81.03415	10.0
81.07059	100.0
82.23112	6.0
83.04979	17.7
83.08619	17.4
91.05479	30.9
93.07046	34.3
95.04967	20.2
95.08624	38.5
97.06520	35.5
105.07044	36.3
107.04974	19.9
107.08571	28.2
109.06503	18.7
109.10163	23.2
111.04432	19.8
111.08134	8.5
117.06983	10.1
119.08559	26.0
120.08084	5.1
121.06512	8.0
121.10158	16.6
123.08074	22.6
123.11710	8.6
125.05983	8.2
131.08568	13.2
133.10127	17.9
135.04410	7.3
135.07997	8.2
135.11688	12.3
137.09628	8.9
141.24101	5.7
145.10176	26.6
147.08156	6.5
147.11679	17.0
149.09590	16.6
149.13278	9.4
151.03889	12.8
153.05449	26.1
157.10040	5.9
159.11671	12.2
161.13330	7.0
163.03969	7.1
163.11177	18.2
164.04333	5.4
173.09639	6.0
173.13292	7.2
181.04956	13.0
181.12320	8.4
191.10641	26.8
199.06001	23.0
209.11754	100.0
219.10213	10.3
221.15436	5.6
230.47559	5.8
237.11208	86.9
237.14772	8.7
255.12286	22.6
265.17865	28.9
267.62061	5.0
275.20099	47.4
293.18048	6.5
293.21097	33.3
305.41476	6.2
311.18884	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	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.6
55.01876	28.2
55.05514	39.0
57.07080	32.1
67.05513	41.8
68.86784	2.4
69.03433	9.1
69.07074	19.9
71.04991	12.1
79.05499	49.6
81.03407	6.1
81.07058	66.0
83.04986	32.2
83.08626	26.0
85.06595	2.9
91.05478	23.5
93.07043	37.2
95.04960	12.0
95.08613	27.2
97.06538	33.6
97.10166	28.5
105.07040	28.1
107.04915	6.5
107.08603	70.9
109.02840	3.2
109.06514	9.4
109.10179	10.2
109.40845	2.8
111.04443	24.0
111.08084	9.6
113.06013	7.5
117.06998	5.8
119.08595	14.2
121.06506	6.8
121.10147	16.5
123.08078	4.5
123.11707	4.3
125.05997	12.6
125.09634	52.8
129.06967	3.5
131.08575	13.7
133.10133	10.0
135.04391	5.2
135.08005	4.3
135.11716	13.4
137.09653	3.6
139.11183	5.6
145.10107	16.8
147.11710	8.2
149.09639	12.3
151.11107	3.3
153.05475	20.4
153.12749	10.9
157.10135	3.7
159.11694	9.0
161.13306	5.2
163.03877	3.4
163.11201	15.5
167.10643	5.5
173.09651	2.9
173.13203	5.9
177.12784	3.9
181.04962	9.7
181.12227	16.4
183.11780	3.0
187.11201	4.6
188.90076	3.0
189.11230	22.3
191.10664	13.9
193.12262	3.5
205.12231	6.8
209.11731	100.0
210.12135	5.2
211.41429	3.2
213.14798	6.6
223.13242	8.4
223.58276	3.2
229.19725	2.8
237.11208	76.3
238.11629	4.4
255.12279	18.8
257.19003	8.5
265.17905	4.3
275.20078	50.1
276.20270	3.1
293.17853	5.1
293.21036	36.2
311.19510	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	311.2216
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.19429	2.5
53.03929	2.4
55.01875	30.0
55.05511	51.6
57.03424	4.0
59.05001	3.9
65.03928	3.4
67.05508	37.6
69.03440	3.8
69.07066	26.4
69.84129	6.3
69.84516	5.6
71.04993	14.7
79.05074	4.1
79.05499	60.2
81.03410	5.9
81.07059	77.2
83.04997	28.5
83.08620	29.8
85.06554	3.6
91.05477	32.7
93.07041	38.8
95.04969	19.9
95.08602	28.2
97.06533	36.2
97.10172	31.5
105.07028	28.3
107.04948	4.6
107.08598	100.0
109.06524	8.7
109.10171	12.1
111.04437	9.1
111.08099	9.7
113.05998	13.3
117.07050	6.7
119.08568	14.3
119.87788	2.5
121.06512	5.6
121.10121	14.3
123.08041	6.2
123.11664	3.8
123.86882	2.6
125.05970	8.4
125.09630	74.5
131.08586	13.4
133.10132	13.7
135.08055	6.6
135.11694	11.3
137.09604	3.4
139.11185	7.3
143.10709	3.6
145.10109	12.6
147.11703	7.8
149.09645	9.2
151.11238	2.9
153.09134	5.0
153.12779	13.3
157.86786	2.7
159.11728	14.5
161.13326	2.7
163.11177	10.8
167.10663	6.6
169.10094	3.7
171.10229	4.0
173.09763	2.8
173.11832	3.3
173.13338	3.7
177.12733	6.4
181.12271	7.6
183.11771	2.6
183.31021	2.6
187.11237	3.5
189.11224	24.5
193.12149	3.4
195.13814	5.5
205.12257	9.2
211.13235	3.8
213.14801	4.2
223.13269	16.4
241.14394	3.2
251.16449	3.9
257.19077	7.4
275.20065	70.4
293.21103	50.1
311.22186	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01859	14.3
55.05505	46.0
57.03435	8.0
57.07077	6.9
65.03939	6.5
67.05510	79.8
68.05838	9.1
69.03419	20.3
69.07075	35.5
69.25602	34.8
71.04985	9.3
72.08152	10.7
72.98404	6.4
79.05491	55.7
81.03408	20.6
81.07069	75.1
83.04983	10.0
83.08618	22.4
85.02912	6.5
87.63970	5.3
91.05470	50.7
93.07055	100.0
95.04971	19.1
95.08596	51.7
97.02920	6.8
97.06521	14.4
97.10177	14.2
98.23341	11.3
105.07036	49.4
107.04957	7.5
107.08582	47.0
109.06536	7.7
109.10159	34.5
112.11186	5.2
117.07034	10.2
118.62298	6.0
119.08563	37.4
121.06506	11.6
121.10143	62.5
123.11622	7.6
125.09619	15.0
129.06979	6.2
131.08551	22.9
133.10133	20.7
135.08043	8.5
135.11664	6.4
137.09567	6.3
143.08546	6.5
145.10123	25.2
147.11667	9.9
149.09610	28.8
159.11668	12.5
163.11203	8.5
171.11717	8.0
173.13252	9.7
189.11249	6.8
255.99367	6.6
257.18890	9.8
275.20114	66.7
276.20410	10.9
280.14581	5.7
293.21133	17.0
311.14828	27.5
311.21869	8.7
311.27701	37.2
312.14432	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03944	4.3
55.01876	8.1
55.05272	3.2
55.05516	31.3
57.03444	6.4
57.07081	7.4
59.05005	3.5
65.03939	4.0
65.24534	2.6
67.05508	65.2
69.03429	12.2
69.07069	16.8
70.25285	3.0
71.05006	6.8
71.08638	60.7
77.03957	2.3
79.05498	42.5
79.05913	3.6
81.03435	17.0
81.07059	38.2
83.04981	23.9
83.08640	15.2
85.02927	8.9
85.06533	4.4
91.05480	31.4
93.07049	73.4
95.04958	16.2
95.08604	36.5
97.02894	2.3
97.06523	11.6
97.10193	9.4
99.04461	3.8
99.08098	35.4
104.80373	2.3
105.07040	19.5
107.08593	25.6
109.02878	3.9
109.06555	7.6
109.10165	41.3
111.08114	5.7
117.07043	4.2
118.05067	2.4
119.08589	16.7
121.06495	5.1
121.10140	42.7
123.08082	4.2
123.11716	3.4
125.09660	8.7
127.11230	3.6
131.08583	8.3
133.10118	13.7
135.07964	2.4
135.11700	7.7
137.09641	9.7
139.11192	63.5
145.10118	5.5
149.09669	11.7
149.13304	3.6
151.11192	34.7
155.10672	11.7
159.11725	8.4
161.09633	8.7
163.11238	3.5
165.12799	8.1
166.43935	2.4
167.10764	4.5
173.11765	21.5
173.13203	4.2
177.12747	15.0
179.10762	6.8
229.19545	4.8
247.20424	3.6
257.19073	6.4
275.20090	29.5
293.21115	100.0
294.21371	6.6
300.37848	2.6
311.22083	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	311.2217
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01871	19.3
55.05514	92.1
59.00430	9.2
67.05502	53.7
69.03442	11.3
69.07072	33.5
71.04987	8.6
71.08633	26.3
71.30015	11.5
79.05482	54.4
81.03422	30.2
81.07066	76.4
83.04989	31.4
83.08636	57.6
85.02943	10.5
88.94877	8.6
89.89205	10.5
91.05487	37.0
93.07061	31.6
95.04976	41.1
95.08604	21.7
97.10146	45.6
99.08096	23.6
105.07047	15.9
107.08606	33.5
109.10194	21.4
111.04410	12.3
111.08105	21.1
112.57794	8.8
119.08630	19.9
121.06514	14.7
125.09663	31.0
131.08580	12.1
133.10133	15.5
137.06004	21.6
145.10168	9.8
147.11621	8.0
163.11195	65.8
173.13351	8.6
189.11247	20.3
192.36934	7.9
193.12318	12.5
195.13922	20.2
211.13245	14.7
237.11310	10.0
251.10544	10.8
275.20041	37.0
293.21106	100.0
311.12729	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	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.2
57.07074	43.8
67.05495	25.2
69.07080	29.9
69.55790	29.6
70.98184	6.8
79.05483	16.0
79.34783	5.4
81.07064	23.0
82.18719	5.8
83.04982	15.7
83.08619	9.8
88.07644	6.4
91.05479	14.0
93.07053	35.3
95.04970	29.3
95.08626	35.2
97.06544	16.4
98.22639	5.7
103.05484	6.7
105.07027	32.3
105.90462	6.3
107.08595	25.4
109.02888	7.8
109.06497	5.8
109.10165	15.1
111.04448	24.6
119.08599	27.6
120.03372	5.6
121.10133	22.3
125.06005	10.0
131.08601	10.5
133.10115	14.6
135.04440	40.2
135.05350	6.7
135.08078	6.4
143.08562	6.6
144.13861	15.5
145.10117	20.6
147.79282	6.4
153.05481	15.5
159.11707	15.8
161.09621	35.8
163.11214	10.7
169.10132	5.9
177.16373	7.5
181.05023	9.0
189.65286	5.8
191.10637	20.3
209.11731	100.0
210.12010	8.6
237.11234	95.2
255.12262	18.8
311.16071	14.0
311.23410	14.8
311.31595	7.2
312.32712	66.6
312.36142	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
53.61600	6.5
55.05510	27.7
55.90052	5.2
57.03444	8.1
57.07075	59.5
67.05502	45.8
69.02983	17.4
69.03400	35.0
69.07071	65.6
71.08630	11.1
72.08138	7.9
75.22581	5.8
78.46127	5.3
79.05513	30.3
81.07053	41.9
81.79963	6.4
83.05000	11.9
83.08649	29.1
85.10204	6.5
88.23180	5.7
91.05503	31.7
93.07048	76.3
95.04975	45.9
95.08616	71.2
97.06547	24.3
98.23399	10.7
105.07036	52.9
107.08621	45.9
108.87823	6.0
109.06537	10.5
109.10165	35.0
111.04449	16.3
113.85208	5.6
117.07024	11.5
119.08586	59.9
121.06528	15.7
121.10140	54.3
121.70683	5.2
123.08042	7.6
123.11707	17.5
125.00616	5.7
125.05981	13.8
125.37199	6.4
129.07205	5.8
131.08603	16.5
133.10091	30.0
135.04433	51.7
135.08110	10.6
135.11699	15.7
142.07793	6.0
143.08545	9.5
145.10129	32.4
147.11720	17.0
149.13234	8.7
153.05449	14.0
157.10172	23.4
159.11714	34.3
161.09631	47.8
161.13301	8.7
162.21434	6.1
169.10078	9.4
171.11681	14.3
173.09546	6.6
173.13326	8.9
175.14751	7.6
177.16393	11.6
181.04991	10.8
185.13293	9.1
187.11192	9.7
189.16428	9.1
191.10640	13.1
201.16385	7.1
209.11702	100.0
209.13509	8.3
219.17426	7.0
237.11192	84.4
255.12320	17.9
311.16318	9.5
311.23615	20.8
311.26355	11.8
311.31387	23.0
312.32791	8.9
312.36258	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	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.49565	1.0
53.03941	2.0
55.01860	2.3
55.05516	78.8
55.95805	1.0
57.00214	0.9
57.03441	29.8
57.06801	1.2
57.07080	34.0
67.05507	10.6
69.07072	81.4
70.07405	1.8
71.08636	21.5
74.60837	1.2
79.05481	5.6
81.07062	15.5
83.04993	2.1
83.08622	63.9
84.08902	1.2
85.06547	1.1
85.10192	7.7
86.20718	1.1
91.05458	1.3
93.07052	9.7
95.08607	10.0
97.06552	5.4
97.10174	43.7
98.10478	1.6
98.23349	3.9
107.08610	6.9
109.10155	3.5
111.08084	2.4
111.11729	12.9
121.10178	7.2
123.11708	1.3
125.09680	1.9
125.13280	3.6
135.11690	6.6
137.13237	2.0
139.11183	1.6
149.13293	2.5
150.40536	1.0
163.14760	1.2
167.14342	1.2
177.71382	0.9
209.11693	2.7
219.21098	2.2
222.80936	1.1
237.11200	3.3
237.22153	1.3
258.62698	1.5
311.25803	100.0
312.26190	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	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59505	0.7
53.03940	2.1
55.01864	1.5
55.05517	64.9
56.05842	1.2
57.03160	1.3
57.03441	27.1
57.07083	34.0
60.87659	0.8
61.66147	0.8
67.05515	10.7
69.07073	76.8
70.07389	1.3
70.42652	1.8
71.04993	1.3
71.08640	20.1
73.02924	1.8
73.06548	1.6
75.04468	1.1
75.94997	0.8
78.40022	0.7
79.05510	7.8
79.63566	0.6
81.07059	14.3
83.04987	2.1
83.08626	67.9
84.08955	1.7
85.06532	0.8
85.10181	8.2
91.05483	2.2
93.07047	8.5
94.70229	0.8
95.08617	10.8
97.06530	6.7
97.10178	46.2
101.89191	0.8
107.08591	6.5
109.10178	4.2
111.04425	0.9
111.08100	3.3
111.11732	13.9
115.07563	1.0
120.66062	0.7
121.10155	10.2
123.11709	2.1
125.09631	2.8
125.13284	2.6
135.04451	1.0
135.11697	7.8
137.13292	2.3
139.11195	2.4
148.37291	0.7
149.13264	3.8
153.05444	1.4
153.12740	1.8
163.14847	1.0
181.15887	0.9
209.11725	9.7
219.21184	1.8
237.11208	5.9
237.22282	0.9
276.53857	0.8
302.80743	0.8
311.25824	100.0
312.26144	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	312.1078
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
62.80267	2.2
69.03394	2.2
79.31439	2.2
85.02910	5.1
86.09729	2.5
97.11060	2.3
104.05020	5.4
117.03410	3.4
121.06516	8.1
129.45961	2.4
132.04454	100.0
133.04913	3.0
134.05997	2.6
137.05971	2.6
145.02832	7.2
147.04396	5.1
148.06174	6.9
150.05505	6.4
151.03827	3.8
163.03981	4.2
177.05463	10.8
180.08708	5.3
181.05002	3.9
190.34865	2.2
301.91104	2.7
313.09076	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	312.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05517	0.6
56.80897	0.5
63.02377	0.8
66.54831	0.5
69.03431	0.5
69.07075	0.6
70.06587	1.6
71.29139	0.5
72.08153	0.8
79.05489	1.0
81.07046	1.1
85.02905	0.8
89.03918	7.1
91.05470	1.7
93.07049	1.4
95.04984	0.5
95.08601	0.8
103.05495	0.8
105.07080	0.8
107.04948	1.6
107.08588	0.6
109.02919	0.6
111.04392	0.5
111.13312	0.5
114.10284	0.6
115.05460	0.9
117.03384	25.2
117.07043	1.0
120.08107	5.1
120.70922	0.4
121.06516	0.4
121.10115	0.8
122.06059	0.5
122.10478	0.6
123.04430	1.1
134.03625	1.6
135.04433	1.5
137.05992	1.2
138.80876	0.5
145.02853	57.6
145.06487	2.4
146.03210	1.9
147.04448	1.0
149.05991	7.2
151.03882	1.4
151.07515	1.3
153.01796	1.1
162.05521	0.9
163.03885	0.9
174.10960	0.4
175.07513	0.6
177.05478	100.0
178.05836	3.0
181.04953	1.2
186.05467	0.8
188.07137	0.5
191.10550	0.4
203.45584	0.4
276.19824	0.5
285.07523	0.9
294.20627	1.2
312.05777	2.4
312.12326	3.2
312.15564	1.0
313.07065	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	312.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33361	0.3
61.72130	0.2
64.61633	0.3
65.38618	0.3
66.12531	0.3
67.85872	0.2
70.06593	100.0
70.91357	0.6
71.06928	1.2
72.04518	0.6
75.09357	0.3
100.03973	2.0
116.07096	7.0
127.08695	0.5
141.92574	0.2
155.08156	0.5
167.96156	0.3
168.73663	0.3
197.09207	4.2
213.12338	23.4
214.12718	1.0
232.99603	0.3
235.09831	0.3
264.33383	0.3
312.15735	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20742	1.8
53.03957	2.5
55.01876	3.8
57.03442	5.7
61.02932	9.4
69.03435	14.0
69.07075	6.6
69.45392	10.4
70.42310	1.6
70.89677	1.8
71.04996	1.9
73.02924	3.9
81.03429	8.4
83.01319	1.8
85.02910	100.0
86.03268	1.8
87.04469	2.4
87.08105	19.7
91.03968	6.8
97.02901	27.6
99.04507	4.1
109.02894	7.4
116.03202	1.6
121.06558	2.6
122.06065	2.0
127.03916	26.8
132.04439	11.4
133.08559	3.1
145.04971	35.9
150.05515	54.5
163.06001	8.1
252.41246	1.7
289.30600	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1957
Annotation	Spiradine A
Peak:m/z	Relative Intensity
51.02377	0.6
53.03946	2.7
55.01871	0.4
55.05521	1.5
57.03438	1.3
60.06385	0.3
68.83606	0.3
69.07053	0.3
70.63393	0.3
71.28046	0.6
71.63382	0.3
72.11382	0.3
74.32378	0.3
77.03921	0.7
79.05527	0.4
81.07062	0.7
82.06577	1.1
91.05487	11.2
93.07050	17.0
94.06572	3.5
94.07378	0.5
95.04977	3.2
96.05301	0.4
103.05473	11.8
105.04534	1.5
105.07044	1.8
107.04981	1.8
108.08120	0.4
118.06496	0.3
119.08575	0.5
120.05724	0.8
120.08115	1.9
121.06512	100.0
122.06847	3.6
122.09672	3.8
123.99072	0.3
132.08064	0.8
134.09633	1.9
136.11224	6.6
138.09164	2.3
145.08881	0.4
146.09744	0.5
148.09656	0.3
148.11186	2.7
149.05994	6.2
150.06335	5.8
150.09154	5.3
157.10123	0.4
162.99178	0.3
164.10651	0.4
174.12782	1.2
192.13843	13.0
198.09160	0.7
200.10719	0.8
210.12059	0.6
214.12280	0.8
240.13834	0.5
242.15367	1.8
256.17001	0.9
258.14954	1.4
270.14905	6.2
294.18561	1.2
312.19580	65.8
313.19879	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	312.3262
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05515	19.9
57.03420	1.9
57.07076	14.0
58.06590	1.9
62.06084	6.5
63.41105	1.2
67.05500	5.5
69.07072	18.7
71.04988	1.2
71.08646	8.6
71.08976	2.0
72.08152	2.0
72.93927	1.3
79.05499	2.0
79.43642	1.4
81.07050	5.9
83.08591	6.8
85.10190	3.7
87.02665	1.4
95.08626	5.7
95.79457	1.3
97.07603	1.4
97.10181	3.8
107.08607	1.6
109.10172	3.8
121.10178	1.6
142.93887	1.6
157.12285	3.0
181.04941	4.0
209.11699	2.9
210.12093	5.9
237.11345	1.9
238.11562	5.7
294.31689	3.3
308.65002	1.5
312.15619	2.3
312.32614	100.0
312.75482	1.2
313.21747	2.0
313.27451	12.2
313.32965	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	312.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
57.03434	1.7
57.06800	1.1
57.07077	16.0
58.06594	2.4
60.07857	1.2
60.08164	23.6
67.05495	2.4
69.07063	1.8
69.10082	3.2
69.10503	5.7
71.08643	7.7
72.08138	1.1
81.07061	3.6
82.28584	1.0
83.08612	2.2
85.10171	3.9
95.08579	2.9
97.10173	1.2
100.41111	1.0
101.58055	1.0
104.00434	1.0
109.10148	2.2
131.82680	1.0
153.05461	1.2
181.04942	2.8
209.11801	1.3
210.12096	2.7
238.11600	3.0
239.23785	1.3
257.24622	1.8
312.15448	1.8
312.32831	5.8
312.36218	100.0
313.10419	1.1
313.27393	10.5
313.36575	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	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03164	0.3
53.03955	2.7
55.01862	1.0
56.53282	0.3
57.03433	1.2
59.12207	0.3
61.02933	0.3
65.03939	4.7
67.05515	1.5
68.99802	0.3
69.03088	0.5
69.03436	6.5
69.03818	0.4
70.38516	0.3
71.01345	0.5
71.05006	0.6
73.02896	0.3
73.72636	0.3
80.02635	0.3
81.03422	19.6
83.01299	0.3
85.02910	6.1
89.03899	0.7
91.05479	4.6
93.03409	3.3
93.07021	1.4
94.04179	0.4
95.04974	1.7
97.02909	1.9
99.04465	2.0
103.05460	1.0
105.04513	0.8
105.07024	0.4
107.04994	0.7
108.02097	2.1
109.02885	8.1
109.03587	0.6
110.03699	0.5
111.04457	4.4
117.03359	2.3
119.04948	3.0
120.08098	1.2
121.06513	6.5
122.03667	0.6
123.04471	0.4
125.05986	3.3
127.03928	2.3
128.06229	1.1
128.45149	0.3
129.07018	2.3
135.04431	0.7
136.05194	0.6
137.05978	8.8
141.05479	2.4
145.02846	5.1
145.06535	0.3
149.05931	0.7
151.03917	100.0
151.04997	8.2
151.07503	8.9
152.04260	2.7
153.01773	0.4
156.05728	0.5
157.06538	1.3
161.06104	0.3
163.03922	2.4
165.07054	0.3
169.04973	5.6
169.06300	0.4
170.05199	0.3
170.33331	0.3
174.06726	1.4
175.07663	0.7
177.05475	9.9
177.07034	0.5
178.04918	0.3
178.07814	0.5
182.07330	0.3
189.09102	5.5
190.05002	0.3
193.06619	0.3
193.10098	0.6
200.56163	0.3
221.09637	0.8
221.30879	0.3
225.09082	0.3
229.42142	0.3
238.06364	0.3
249.09157	0.9
253.12241	1.0
272.10275	0.3
281.11819	0.7
295.08148	11.6
296.08438	0.7
313.06723	2.0
313.10413	0.5
313.14438	2.7
314.10455	0.5
314.13904	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	313.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.9
66.83044	6.5
67.80562	5.1
69.03439	17.4
70.37108	6.6
70.37422	10.8
72.48231	5.0
81.03410	11.3
81.54916	6.0
82.15694	5.0
85.02917	100.0
85.79520	5.0
91.03968	5.6
97.02882	25.9
99.04439	7.5
107.04955	10.2
125.06017	6.8
127.03938	25.6
145.04965	48.4
151.03926	70.8
163.06071	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	313.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03940	1.0
55.01867	0.9
65.03944	2.3
66.04713	0.4
67.05479	0.6
69.03427	0.5
69.36024	1.6
69.36425	0.7
79.05495	1.5
80.06266	0.6
81.03429	0.6
81.07059	1.5
91.05488	45.1
92.05813	0.8
93.07053	0.5
94.04193	3.2
95.04971	8.4
98.23326	0.7
103.05479	2.9
105.07039	2.3
107.04955	3.4
108.05719	0.4
109.06544	2.5
115.05476	1.9
117.03418	0.3
117.07016	1.4
119.04951	28.3
120.05260	0.8
121.06519	2.1
122.02841	0.8
122.03662	8.1
123.08091	0.9
128.06223	9.9
129.07016	26.2
130.07401	1.1
131.04955	2.3
131.08575	1.1
132.05676	0.4
133.06480	1.4
135.04433	0.4
135.08054	0.5
136.05200	6.3
137.05983	79.2
138.06316	2.2
143.04912	1.2
145.02803	0.4
145.06480	2.6
146.07268	1.1
147.08006	1.4
149.06012	1.2
151.04033	4.8
151.07549	100.0
152.06102	0.4
152.07898	3.1
153.07028	0.6
155.06012	1.1
156.05785	2.0
157.06499	16.1
158.07051	1.1
159.04427	0.4
160.05199	0.9
161.06007	2.2
161.09613	2.4
163.07545	2.8
165.07016	2.4
167.08447	0.4
169.06439	0.4
174.06775	13.1
175.07565	7.4
176.08244	0.6
177.05501	0.9
177.09111	1.3
178.07765	5.1
179.08510	0.9
181.06480	1.4
189.09116	58.1
190.09451	2.6
191.08617	0.7
191.10582	0.5
192.09363	2.1
193.06519	0.8
193.10138	6.7
194.07298	0.4
194.10507	0.4
195.08041	1.0
196.05130	0.5
197.05998	1.1
202.07860	1.9
203.08554	2.8
205.06522	0.7
206.07286	2.0
207.08005	1.0
209.06053	1.1
209.09610	0.9
210.06734	1.2
210.10233	0.7
211.07527	1.1
212.08221	0.4
219.08038	1.0
220.08855	1.4
221.06062	1.0
221.09624	10.2
222.10126	1.1
223.07527	1.4
224.08363	0.8
225.09154	1.3
231.08002	1.0
233.05859	0.4
234.06746	1.3
235.07506	0.5
237.09082	0.9
238.06232	0.6
238.09932	1.8
239.06929	0.6
240.07700	0.5
241.08554	1.0
244.91451	0.4
248.08289	0.6
249.09102	7.3
250.09645	1.0
251.07080	0.6
252.07729	0.6
253.08582	1.1
253.12257	11.2
254.12730	0.7
263.10693	1.0
265.08493	0.5
266.09302	1.3
267.09961	1.1
269.08124	2.8
270.08868	0.6
272.10446	1.5
281.11734	7.1
282.12186	0.9
284.10452	2.3
285.11298	0.9
298.11890	0.5
313.14346	34.1
314.14639	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	313.1435
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03949	0.6
55.01880	0.6
56.94097	0.3
61.55391	0.3
65.03937	2.0
66.63406	0.3
67.05505	0.5
69.03432	0.4
69.48659	1.5
79.05486	2.0
80.06267	0.3
81.03420	0.4
81.07053	0.8
89.03905	0.3
91.05483	37.8
92.05819	1.1
93.07054	0.7
94.04179	2.7
95.04968	6.7
95.05557	0.5
99.04443	0.3
103.05451	1.8
105.03442	0.4
105.07042	1.4
107.04955	2.8
108.05776	0.4
109.06517	2.4
111.04449	0.4
115.05449	1.7
117.03383	0.4
117.07043	1.1
119.04946	25.0
119.08578	0.4
120.05278	0.9
121.06500	1.6
122.03648	7.3
123.04459	0.7
123.08082	1.1
127.05504	0.3
128.06218	8.4
129.07010	23.2
130.07381	0.6
131.04898	2.5
131.08612	1.4
132.05733	0.5
133.06516	1.5
135.04425	0.6
135.08046	0.6
136.05205	5.3
137.05978	74.0
138.06294	2.2
143.04942	1.1
144.05736	0.5
145.02829	0.6
145.06479	2.1
146.07265	0.9
147.08054	0.9
149.05986	1.3
151.04036	4.2
151.07542	100.0
152.06213	0.5
152.07898	3.1
153.07001	0.5
155.06047	1.1
156.05701	1.8
157.06497	15.7
158.07124	1.1
159.07979	0.4
159.42586	0.3
160.05225	0.8
161.05986	2.5
161.09605	2.0
163.03905	0.6
163.07541	2.7
165.06981	2.4
167.08514	0.4
169.06473	0.7
173.06004	0.4
174.06770	12.2
175.07545	6.6
176.08229	1.1
177.05490	1.2
177.06812	0.3
177.09111	0.9
178.07788	4.4
179.08571	0.8
181.06500	0.8
182.07272	0.6
189.09111	57.6
190.09433	2.9
191.08641	0.6
191.10655	0.4
192.09346	0.9
193.06523	0.9
193.10120	5.4
194.07335	0.3
195.08035	0.7
197.05994	1.1
198.06758	0.4
202.07762	1.4
203.08556	3.3
204.09299	0.4
205.06487	0.9
206.07295	1.8
207.08047	0.9
209.05957	0.9
209.09552	0.4
210.06828	1.5
210.10263	0.4
211.07558	1.2
212.08357	0.7
213.09135	0.4
219.08066	0.8
220.08827	1.4
221.06218	0.6
221.09604	9.4
222.10132	0.9
223.07550	0.9
224.08340	0.6
225.05482	0.6
225.09134	1.2
226.06190	0.4
227.06924	0.6
231.08078	0.8
234.06810	0.7
235.07585	0.3
235.11162	0.9
237.05560	0.3
237.09099	0.8
238.06187	0.3
238.09917	1.2
239.07001	0.5
239.10678	0.6
240.07718	0.5
241.08588	0.9
248.08389	0.4
249.09103	7.6
250.09686	0.9
251.06981	0.5
252.07875	0.5
253.08598	1.1
253.12241	11.0
254.05920	0.3
254.12595	0.7
255.06598	0.3
263.10751	0.9
265.08578	0.4
266.09335	0.9
267.10120	0.5
269.08115	3.0
270.08710	0.6
272.10449	1.3
281.08585	0.3
281.11713	7.7
282.12354	1.0
283.09802	0.6
284.10443	1.8
285.11142	0.8
295.13205	0.6
298.11996	0.7
313.11148	1.2
313.14331	35.0
314.14658	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	313.1546
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03942	0.2
55.01863	0.1
65.03936	0.2
65.96011	0.2
69.57495	0.3
69.57909	0.5
70.06579	0.1
79.05515	0.2
81.03421	0.5
89.03905	0.2
91.05469	1.4
93.07047	2.6
95.04984	0.3
103.05471	7.7
104.05802	0.2
105.07055	0.3
109.02865	0.2
117.03394	1.3
119.04920	0.3
119.89771	0.1
120.08106	100.0
121.02875	0.2
121.06515	2.4
121.08447	3.0
121.10148	0.2
121.63073	0.2
131.04887	0.3
145.02846	2.4
146.06079	0.2
147.04437	0.5
149.05966	0.5
151.03922	2.9
151.05043	0.3
166.08636	4.8
167.08995	0.3
177.05479	4.4
186.24374	0.2
267.12256	0.2
267.14987	0.4
295.08167	0.2
313.07285	0.8
313.15494	1.5
313.19843	0.6
314.13837	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	313.2164
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.78085	1.1
53.01624	1.1
55.05517	2.4
57.07078	1.8
67.05495	4.4
69.07092	1.8
69.88975	3.0
71.04991	2.3
79.05495	3.4
81.07054	4.1
83.04990	7.2
85.06547	13.4
91.05483	4.5
93.07058	5.6
95.04969	1.3
95.08596	8.5
97.06541	15.8
99.04408	1.1
105.07024	8.6
107.08562	5.3
109.06551	2.6
109.10166	3.4
116.79124	1.0
117.07032	1.8
119.08587	5.1
121.06501	3.0
121.10136	2.5
123.08026	1.3
126.81922	1.1
131.08577	9.2
133.06493	2.3
133.10127	8.8
135.11685	1.5
137.09605	2.4
143.08588	3.5
144.09326	1.4
145.10155	3.2
147.08076	5.1
149.09647	3.7
151.11241	1.5
155.08549	1.6
157.10173	2.2
159.11696	34.2
160.12012	1.4
161.09607	6.4
163.11188	4.6
171.08202	1.1
173.09615	5.9
173.13231	2.3
175.11221	7.1
177.05437	1.7
177.12764	4.9
183.11700	1.5
185.13219	1.8
187.11189	1.8
195.11794	1.2
211.14803	2.3
213.12769	1.7
229.15701	1.3
255.17458	3.2
271.20572	1.4
295.20657	5.6
313.21628	100.0
314.13840	1.8
314.21954	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	8.7
57.03442	27.2
57.07081	74.3
65.16068	1.6
67.05513	13.7
69.07081	15.1
70.93145	3.2
71.08636	50.5
75.63760	1.7
81.07064	19.8
83.08629	14.8
85.10191	26.9
89.06042	3.4
95.08605	28.5
97.10163	6.7
103.07547	2.9
109.10162	11.9
117.09144	2.5
123.11731	5.8
137.13260	1.8
143.77489	1.7
146.88940	2.0
239.23712	4.1
255.73883	1.7
257.24799	4.8
313.27393	100.0
313.32019	8.5
314.27634	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.8
53.03945	0.8
55.05516	11.1
55.26586	0.6
57.03160	1.2
57.03439	23.8
57.07080	73.6
57.58407	0.6
58.07408	1.6
60.08157	1.0
67.05509	12.9
69.07072	14.6
70.42588	1.2
71.05000	1.3
71.08636	47.7
75.04500	0.6
79.05470	1.3
81.07059	19.2
83.04988	0.6
83.08622	16.1
85.06571	0.8
85.10188	27.4
89.06039	4.2
93.07021	1.6
93.07563	0.5
95.08611	28.5
97.06528	0.6
97.10186	7.1
99.11737	2.4
103.07590	3.0
107.08627	1.0
109.10157	12.5
110.10506	0.6
111.11696	2.0
117.09163	0.8
123.11722	5.4
125.13263	1.0
137.13264	2.7
138.20734	0.6
139.05534	0.5
139.11119	0.8
140.25577	0.5
140.33723	0.6
145.12265	0.6
148.14583	0.7
151.14856	0.8
165.16423	1.0
173.15303	0.7
173.71294	0.6
239.23697	5.4
257.24759	8.2
298.27484	0.9
313.27371	100.0
313.36533	7.5
314.27722	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89361	0.8
55.05513	8.6
57.03162	1.1
57.03442	20.3
57.07077	69.7
58.07399	0.9
67.05507	12.7
69.07070	11.6
69.21298	5.0
71.08634	46.8
72.08963	0.9
79.05496	1.4
81.07060	16.3
83.08626	14.3
85.06577	0.8
85.10184	25.0
89.06026	3.0
93.07053	1.1
95.08613	24.2
95.12004	0.7
97.06512	1.1
97.10165	7.8
99.08058	0.9
99.11719	1.9
103.07580	3.3
104.46474	0.7
107.08585	0.7
109.10159	12.4
111.11704	2.4
117.09123	1.4
118.97659	0.7
123.11723	6.3
125.13249	1.0
137.13264	2.3
144.75095	0.8
151.14787	1.6
153.07745	0.9
165.16377	0.8
185.41878	0.7
221.22681	0.8
239.23573	6.0
257.24741	8.8
313.27359	100.0
314.27692	8.4
336.83972	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.4
57.03450	24.3
57.07080	77.3
57.90759	2.8
59.41928	3.4
62.13952	2.6
62.98249	4.7
67.05512	18.4
69.07068	14.1
69.44540	15.1
71.08636	49.6
81.06652	3.0
81.07055	17.9
83.08630	18.0
84.13336	2.6
85.10184	25.3
89.06045	4.4
93.07027	3.0
95.08613	30.2
97.10170	11.8
98.22665	3.3
100.42561	2.5
103.07590	3.1
105.07060	2.6
109.10148	15.6
123.11711	5.3
137.13229	3.9
177.05431	4.6
202.10387	3.2
239.23763	3.7
257.24734	8.0
313.10455	4.2
313.27380	100.0
313.32764	4.8
314.27881	8.8
314.34229	18.1
314.37463	3.4
335.61908	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78618	0.6
55.05513	11.7
57.03160	1.3
57.03442	27.1
57.07079	69.2
58.07392	0.7
67.05508	15.0
69.07072	13.3
71.04981	1.0
71.08635	43.0
74.69353	0.6
75.04456	0.9
79.05489	1.6
81.07059	19.9
82.07390	0.6
82.48778	0.6
83.04993	1.3
83.08617	13.0
85.02905	1.7
85.06530	0.8
85.10184	23.6
87.43836	0.5
89.06056	5.0
91.05498	1.3
93.07036	1.8
95.08607	24.2
95.67147	0.6
96.08925	0.7
97.06570	1.5
97.10174	6.6
99.11729	2.0
103.07606	2.9
105.07051	0.7
109.10159	13.2
109.52460	0.5
111.08067	1.0
111.11714	1.8
113.13261	0.7
113.84718	0.6
117.09113	1.2
121.10217	1.1
123.11705	5.0
125.13267	1.4
127.14809	0.7
136.40428	0.7
137.13286	1.4
151.07755	0.6
151.14828	1.1
165.16364	1.0
176.84233	0.6
239.23682	4.2
257.24762	6.8
258.25269	0.8
268.66150	0.5
295.22580	1.0
298.27368	1.2
313.27368	100.0
314.13547	0.7
314.27838	7.5
314.34024	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	314.087
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48272	1.9
69.03436	4.3
69.73605	2.0
71.32792	2.9
79.01849	2.7
81.03400	3.5
85.02925	4.2
91.05497	10.8
93.71468	2.3
97.02856	3.3
110.83949	1.9
116.55216	2.0
119.04958	24.1
125.02257	2.3
125.45028	2.0
126.57571	1.9
143.03395	5.6
147.04419	100.0
148.04764	2.8
152.07050	9.8
153.01840	64.4
153.02953	3.9
171.02766	2.1
187.88963	2.1
266.12646	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	314.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02381	0.4
53.00292	0.2
53.03952	0.9
54.16231	0.1
55.01861	0.4
57.03443	0.7
61.02918	0.7
65.03926	0.4
68.99785	0.2
69.03429	6.8
70.56651	0.2
71.01312	0.1
71.04981	0.4
73.02912	0.4
73.19286	0.1
76.33276	0.1
79.01853	4.4
79.05495	0.2
80.05028	0.2
81.03418	13.4
81.07042	0.4
83.01327	0.2
83.04938	0.2
85.02905	4.8
87.00808	0.1
89.03910	0.4
91.05480	11.2
92.05820	0.2
92.31238	0.1
97.02895	4.4
97.03518	0.3
99.04453	1.4
101.02374	0.2
107.01314	2.2
107.04957	0.2
108.04488	1.1
109.02882	7.7
109.06496	0.5
117.03374	0.5
117.78073	0.1
119.04083	0.3
119.04941	5.2
121.06485	0.3
123.00829	0.2
125.02353	3.9
127.03918	5.6
135.00771	0.1
135.04411	0.7
136.06157	0.4
137.05977	12.7
138.06305	0.4
142.97998	0.1
143.03400	6.2
145.02870	0.9
145.04904	0.2
146.87222	0.1
150.05507	0.2
152.07047	0.4
153.01828	100.0
153.02866	5.0
161.05943	0.2
163.03909	2.8
163.05186	0.2
171.02884	4.1
177.05484	0.4
178.04993	22.7
179.05301	0.6
179.06842	0.1
181.04987	0.2
190.04959	0.1
191.03377	0.3
193.08585	0.2
205.04918	0.1
207.02910	0.2
233.04355	0.1
237.03943	0.5
255.05086	0.2
297.06049	8.7
305.49426	0.1
314.10217	21.7
315.07043	1.2
315.10583	1.5
315.13748	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	314.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38452	1.2
55.01881	1.6
69.03432	6.1
69.21970	5.2
69.22372	3.5
70.06588	7.5
72.08164	1.2
79.01853	5.9
81.03411	8.6
84.04537	1.7
84.08118	1.7
85.02908	4.9
91.05495	2.0
95.01328	15.6
95.04954	2.4
97.02898	4.4
103.05437	1.7
105.07041	2.5
107.01321	2.3
109.02886	5.1
113.02346	1.3
117.86481	1.5
119.04906	2.5
121.06488	3.6
123.04430	25.3
125.02354	3.9
127.03929	5.2
131.04936	5.8
133.06497	6.4
141.07010	1.9
143.03426	6.4
145.06485	18.7
147.04410	13.7
149.05969	3.8
152.07068	1.8
153.01831	100.0
153.02898	5.8
157.06458	2.7
159.04430	4.3
161.05980	6.1
162.05440	1.9
165.05460	13.2
169.13318	1.9
171.02969	2.6
171.04401	2.8
173.05981	30.5
175.03932	3.6
177.05573	3.8
187.07507	3.8
189.05464	2.8
191.07018	4.0
197.05994	11.8
199.07565	5.4
201.05486	6.8
215.07033	21.9
215.13919	1.6
219.06512	29.0
231.06613	2.6
233.08038	3.7
243.06606	16.7
249.07709	1.5
261.07626	9.1
272.90704	1.3
279.08652	2.5
297.05914	2.8
314.09644	1.6
315.01382	2.4
315.13989	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	314.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03954	2.3
65.03946	0.4
69.10976	3.1
77.03890	0.5
89.03918	6.8
91.05484	9.1
93.07044	10.8
94.07369	0.4
95.04967	2.1
95.05480	0.4
103.05472	9.7
105.04523	1.1
106.04176	0.5
117.03385	22.5
118.03695	0.5
119.04951	0.8
121.06509	53.8
122.06819	1.7
134.03621	1.5
135.04414	0.7
142.07605	0.4
145.02849	52.9
146.03166	1.9
149.05989	5.9
153.01820	0.9
163.03888	0.7
165.01877	0.3
168.72639	0.4
173.03561	0.4
177.05472	100.0
178.05806	3.7
180.75575	0.3
181.06487	0.4
186.05647	0.4
193.01312	0.9
194.08112	1.1
197.06041	0.7
198.06807	2.2
226.06259	1.4
253.05003	0.5
254.05786	7.6
261.21811	0.4
270.05136	0.4
271.05988	0.8
281.04443	2.3
282.05185	3.1
283.05975	0.5
286.04749	0.6
299.05566	2.7
300.06195	1.7
314.13876	21.2
315.08624	16.7
315.14267	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	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
52.37192	0.5
53.03936	1.7
56.09094	0.5
57.82057	0.6
57.93816	0.5
63.02338	0.7
70.18156	1.0
70.18523	1.2
73.90978	0.6
79.30251	0.5
89.03922	5.5
91.05486	7.7
93.07050	11.6
95.04951	2.5
103.05467	9.2
104.46167	0.5
105.04516	0.8
117.02518	0.7
117.03380	20.3
121.06511	56.5
122.06860	1.5
134.03632	1.5
135.04390	0.9
145.02850	53.4
146.03156	1.6
149.05994	6.0
153.01796	0.7
177.05475	100.0
178.05812	2.8
194.08192	1.1
314.13846	21.4
315.14224	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	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03928	2.0
56.12410	0.6
63.34447	0.6
65.03924	0.6
67.05494	0.7
67.68459	0.5
69.03397	0.8
71.29115	0.8
72.57037	0.5
80.95728	0.6
81.03418	1.2
81.07021	1.4
85.02878	1.0
89.03915	6.0
91.05480	8.8
92.62675	0.5
93.06483	0.8
93.07042	13.1
93.07619	0.9
93.13779	0.6
95.04955	1.9
103.05468	11.0
105.04511	0.9
105.07022	1.8
105.74525	0.6
117.03380	19.9
118.03737	1.0
121.06497	60.5
122.06822	1.5
128.86115	0.5
131.08527	0.9
134.03664	1.3
135.04399	1.4
137.05974	0.7
142.13490	0.6
143.03329	0.7
145.02843	49.0
146.03146	2.2
149.05975	6.6
149.24358	0.7
151.07544	0.8
153.01851	9.3
153.02966	0.7
163.03825	1.0
171.02904	0.6
177.05463	100.0
178.05922	3.0
186.05431	1.0
194.08112	1.4
241.19431	0.7
314.10419	1.3
314.13855	24.8
314.21118	2.1
314.24399	0.8
314.30304	1.0
315.14191	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	314.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77634	0.3
53.03932	1.6
70.57357	0.7
77.03931	0.6
81.03414	0.8
81.81284	0.3
87.42081	0.5
89.03917	4.3
91.04972	0.6
91.05486	6.5
93.07047	9.7
95.04967	1.3
99.74036	0.4
103.05472	8.2
105.04505	1.0
117.03387	17.0
118.86547	0.4
121.06511	47.3
122.06833	1.4
134.03632	0.7
135.04384	1.3
136.05252	0.5
143.03389	0.5
145.02847	45.5
146.03178	1.3
149.05980	6.0
151.07576	0.6
153.01836	8.2
153.02943	0.5
163.03905	0.6
177.05473	100.0
178.05815	4.1
186.05537	0.5
194.08154	1.1
196.60492	0.4
309.16632	0.4
314.13867	26.3
315.14185	2.1
315.28177	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	314.1386
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02383	0.3
52.03156	0.3
52.11635	0.3
53.03946	1.8
58.35708	0.3
62.01059	0.3
62.08664	0.3
63.02378	0.5
65.11279	0.3
68.25643	0.3
74.15023	0.3
77.03912	0.4
80.65869	0.3
85.93395	0.3
89.03914	4.8
91.05485	8.6
93.07043	11.2
95.04969	1.9
103.05472	9.6
105.04521	0.8
106.04183	0.3
117.03383	21.4
117.22750	0.3
119.04942	0.8
121.06508	55.3
122.06834	1.8
132.82721	0.3
134.03639	1.4
135.04468	0.9
136.05205	0.4
145.02847	52.9
146.03186	2.0
149.05980	5.0
151.07503	0.5
161.06013	0.3
163.03947	0.9
169.69122	0.3
177.05470	100.0
178.05847	3.5
186.05481	0.6
191.07065	0.3
194.08165	0.7
220.09587	0.4
223.07562	0.5
229.09148	0.4
283.09680	0.8
314.10861	0.8
314.13873	21.3
315.14166	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	314.1386
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02371	0.5
51.50110	0.2
53.03949	1.9
58.09737	0.3
65.03931	0.4
67.68819	0.3
69.31381	1.4
72.64353	0.3
77.03920	0.6
79.01839	0.3
79.05508	0.4
81.03416	0.5
85.02876	0.5
89.03919	6.8
91.04906	0.4
91.05481	10.3
93.07044	12.7
95.04961	2.6
98.22674	0.6
103.04784	0.5
103.05473	8.9
105.04533	0.9
106.04173	0.6
107.08588	0.3
117.03384	23.0
118.03703	0.7
119.04951	1.1
120.08090	0.6
121.06510	55.9
122.06844	1.6
132.36452	0.3
134.03651	1.5
134.06006	0.3
135.04436	1.8
136.05272	0.3
137.05974	1.3
143.03378	0.4
145.02846	55.5
146.03206	1.9
147.04446	0.5
149.05980	7.0
151.07532	0.5
152.29712	0.3
153.01830	8.8
162.03084	0.4
163.03911	2.2
171.02905	0.3
177.05470	100.0
178.05766	2.8
186.05554	0.7
194.08113	1.0
247.07635	0.3
251.70718	0.3
314.10355	1.7
314.13828	23.7
314.20087	2.1
315.14307	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	314.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03949	2.3
55.01876	0.7
61.02925	0.4
65.03928	0.4
67.10354	0.3
69.03439	3.8
69.11015	2.3
77.03906	0.8
79.01858	2.0
79.05500	0.5
79.81994	0.3
81.03416	3.8
85.02889	1.4
87.25439	0.3
89.03919	6.1
91.05483	10.0
93.06474	0.6
93.07046	11.2
93.07634	0.7
94.07381	0.4
95.04977	2.8
97.02880	1.7
103.05473	9.9
105.04492	0.8
106.04172	0.6
107.01330	0.6
109.02879	1.8
117.03382	20.6
118.03642	0.4
119.04916	0.6
120.05202	0.3
121.06508	56.1
122.06844	1.5
123.08054	0.3
125.02357	1.6
127.03917	2.3
134.03630	1.7
135.04428	2.6
136.05179	0.7
137.05962	0.8
138.06294	0.6
138.09103	0.4
143.03407	3.0
145.02846	51.6
146.03189	1.7
149.05978	6.2
151.03928	1.8
151.07545	0.9
152.04271	1.4
152.08009	0.4
153.01831	47.3
153.02905	2.6
160.84161	0.3
163.03906	5.0
163.53662	0.4
171.02908	1.3
177.05467	100.0
178.05928	3.0
186.05507	0.7
194.08157	0.8
196.05620	0.5
198.91316	0.3
204.06569	0.3
220.09685	0.3
254.05681	0.4
271.06119	0.3
297.06073	1.7
314.10675	0.8
314.13861	23.0
315.04935	0.7
315.08542	1.4
315.14130	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	314.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.0
69.03434	10.9
69.48576	1.8
69.48908	6.4
70.06574	3.8
71.04996	12.2
79.01856	8.0
81.03416	6.8
85.02911	20.1
89.06033	94.2
89.67241	1.2
90.06431	1.5
97.02889	9.7
99.04461	4.1
107.01357	2.7
108.08112	2.0
109.02907	5.9
125.02374	4.4
127.03933	6.2
135.05484	2.0
135.06526	35.0
135.07486	2.8
136.06195	5.3
143.03381	9.4
145.05000	1.7
152.07098	3.0
153.01834	100.0
153.02853	5.7
166.94229	1.3
171.02925	4.7
306.16653	1.5
314.12482	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	314.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.1
67.05513	3.9
69.07074	1.8
71.04995	2.4
71.29762	1.0
72.08158	100.0
73.08501	1.1
79.05472	2.5
81.07067	7.3
83.08627	1.9
84.37316	0.7
84.37861	0.8
85.06544	1.3
91.05465	3.3
93.07044	3.6
95.08613	8.8
97.06544	1.5
98.97577	1.0
105.07037	2.2
107.08569	1.4
109.10137	1.4
117.03384	0.9
118.08662	44.4
119.08520	1.9
121.06495	2.1
121.10132	1.1
133.10162	1.7
135.11763	1.2
136.06255	0.9
138.93542	0.8
145.02812	1.3
153.01837	4.8
161.13281	3.3
177.05502	3.8
179.14365	1.2
250.21661	6.3
257.62741	0.8
268.22733	7.7
278.21286	1.1
296.22211	4.6
298.10651	1.1
314.13766	2.2
314.16898	1.1
315.01157	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	314.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70611	0.8
57.06841	1.1
57.07082	12.9
57.39218	0.8
58.06594	2.8
62.06092	7.9
71.08634	8.2
71.32220	0.8
85.10179	1.8
96.29993	0.9
98.22533	1.6
102.30161	1.1
104.17087	0.9
121.06558	1.2
126.97225	0.9
131.05109	1.0
136.06184	1.3
145.02754	1.0
148.12990	0.9
150.61089	0.9
177.05469	3.0
258.27917	1.3
296.33136	4.0
298.10651	2.0
299.11493	1.2
314.13968	3.1
314.27969	4.1
314.34155	100.0
315.34476	9.0
319.34360	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	314.9879
Annotation	Perfluorohexanoic acid
Peak:m/z	Relative Intensity
53.24580	1.6
58.13533	1.8
63.69004	1.8
67.40226	2.5
68.34153	1.8
69.47304	8.5
69.67961	2.1
74.00163	1.7
75.32360	1.8
94.93024	43.9
98.22578	2.6
100.02477	2.1
102.04070	3.9
118.03536	4.8
120.05072	1.7
120.94545	2.2
136.04532	2.1
136.94078	6.9
139.05788	2.4
141.05128	5.9
143.06628	3.4
159.06184	6.7
160.94101	8.9
161.07751	7.2
162.95593	2.4
164.93529	100.0
187.05672	5.1
188.93523	32.3
194.97493	2.4
196.87718	2.9
199.05638	2.9
205.06697	5.5
206.94633	3.7
212.98494	3.3
213.00252	2.6
216.85138	2.1
217.06801	3.7
231.01318	2.4
244.07655	3.8
245.06210	3.3
252.08366	5.3
254.86290	3.6
270.88089	11.0
296.97754	76.2
297.10440	16.0
297.98123	3.6
298.08826	22.5
314.79770	2.5
314.98816	42.9
315.11560	7.4
315.99094	2.8
316.09857	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	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
51.07832	0.2
53.03952	1.2
55.01884	0.3
56.50579	0.3
57.03430	0.9
57.69065	0.2
61.02924	0.6
62.20161	0.3
69.03429	6.8
70.89808	0.4
71.04991	0.5
71.98114	0.2
72.63557	0.2
73.02908	0.3
79.01862	5.2
79.68468	0.2
81.03420	13.9
82.03746	0.3
85.02911	4.7
92.80948	0.3
97.02895	3.9
99.04446	1.1
107.01337	2.3
109.02879	6.6
123.00827	0.2
125.02345	4.1
127.03917	6.0
143.03409	6.7
153.01831	100.0
153.02892	5.4
154.02147	2.4
171.02888	3.1
180.44250	0.3
191.03290	0.3
255.05122	0.5
297.06061	7.9
298.06400	0.4
315.07199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03944	1.0
55.01871	0.6
57.03439	0.8
61.02918	0.8
69.03432	6.4
70.57243	0.6
71.04982	0.6
72.38587	0.2
73.02917	0.4
73.48814	0.2
79.01852	4.3
81.03419	11.0
85.02427	0.3
85.02909	3.6
97.02896	3.3
99.04449	1.4
107.01314	2.0
109.02883	6.1
125.02366	3.5
127.03918	5.1
135.00844	0.4
143.03406	6.0
153.01831	100.0
153.02895	5.6
154.02170	2.8
163.03867	0.3
171.02895	3.7
172.09721	1.0
237.03964	0.5
297.06064	6.3
315.07077	1.2
316.17471	2.5
322.73642	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	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05506	0.3
57.03410	0.6
60.41135	0.2
67.05489	0.3
69.03426	2.3
71.09160	0.4
79.01856	4.6
81.03423	2.8
85.02918	2.3
86.09693	0.7
89.03854	0.3
93.07017	0.6
97.02357	0.2
97.02901	2.0
99.04452	0.7
106.03741	0.3
107.01308	1.2
107.08566	0.4
109.02880	2.3
109.06500	0.3
117.03320	0.3
119.04945	0.3
121.02817	0.3
121.06547	0.4
121.10085	0.3
125.02348	2.5
125.77231	0.3
127.03930	2.4
135.04443	0.7
137.06004	0.6
143.03404	5.5
145.02841	0.5
147.11783	0.3
153.01833	100.0
153.02838	5.1
154.02153	2.7
163.03914	3.4
169.06554	0.5
171.02911	1.4
181.06543	0.5
187.03726	0.3
189.68095	0.3
195.02899	2.4
196.09871	0.3
197.06018	0.6
198.06772	1.8
226.06300	1.1
254.05777	4.6
271.06091	0.7
277.07208	0.3
281.04486	1.4
282.05139	1.6
283.06131	0.6
286.04941	0.5
297.06351	0.8
298.45288	0.3
299.05533	1.4
300.06451	1.2
315.08725	10.0
315.14133	0.4
316.08920	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	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02384	0.5
53.03942	0.4
57.03433	0.3
61.02913	0.7
69.03436	9.6
70.88258	0.5
79.01857	4.7
79.38894	0.2
81.03419	2.2
85.02904	1.2
95.89149	0.3
97.02905	2.9
99.04442	0.4
107.01314	1.0
109.02875	1.3
125.02347	3.3
127.03925	5.0
128.94014	0.2
131.04907	0.5
139.03810	0.3
141.86876	0.3
143.03410	5.4
147.04384	0.5
153.01837	100.0
153.02864	5.0
154.02176	2.6
159.04369	0.4
163.03862	0.7
171.02882	0.8
179.03374	0.5
181.01358	0.3
191.03401	1.1
193.05078	0.4
196.98267	0.3
205.04973	0.5
207.02914	0.4
209.04393	0.6
233.04544	0.6
235.02185	0.3
237.03912	1.3
261.04019	0.3
297.06100	1.1
315.07095	0.6
315.10504	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	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02394	0.6
53.00304	0.3
53.03952	1.6
55.01877	0.7
57.03421	0.7
69.03088	0.5
69.03436	7.0
69.15314	0.3
69.76382	1.2
71.05006	0.3
73.02929	0.3
79.01859	5.1
81.03423	12.3
82.03764	0.3
83.01309	0.3
85.02915	4.3
87.27074	0.3
97.02902	4.3
99.04459	1.3
107.01331	2.8
109.02131	0.4
109.02883	7.4
110.18192	0.3
115.62540	0.3
118.18726	0.3
124.01554	0.3
125.02357	3.6
127.03928	5.9
135.00786	0.4
143.03404	6.8
153.01837	100.0
153.02899	5.5
154.02155	2.6
171.02895	4.5
189.68816	0.3
191.03288	0.3
207.02956	0.4
237.03967	0.4
297.06091	7.8
298.06622	0.4
315.07129	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	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
51.02379	1.1
53.03944	1.3
55.01898	0.4
57.03433	0.9
61.02921	0.6
62.52255	0.3
66.18945	0.4
66.93719	0.4
67.65858	0.3
69.03433	7.5
69.36584	2.2
69.36890	0.6
71.04989	0.6
72.68418	0.3
79.01862	5.1
81.03423	15.0
82.03751	0.4
85.02919	4.6
89.94246	0.4
97.02908	4.0
99.04455	1.6
107.01340	2.4
109.02887	8.1
125.02368	3.9
127.03931	5.8
127.04794	0.6
143.03418	6.8
153.01840	100.0
153.02919	6.0
154.02173	2.3
171.02892	3.8
203.67036	0.3
237.03844	0.6
297.06079	8.0
315.01282	0.5
315.07175	0.7
325.07373	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	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02390	0.5
53.03954	1.3
55.01876	0.4
57.03434	0.9
57.80547	0.2
61.02929	0.4
69.03436	6.2
70.89677	0.5
71.01353	0.2
71.04984	0.5
73.02918	0.6
77.90138	0.2
79.01861	4.8
81.03423	13.9
82.03743	0.4
84.60648	0.2
85.02428	0.4
85.02913	4.5
91.50967	0.2
97.02899	4.4
99.04462	1.7
102.46487	0.2
107.01334	2.3
109.02883	6.9
119.48918	0.2
121.06474	0.2
125.02367	4.0
127.03923	5.0
143.03406	6.5
145.04991	0.3
153.01837	100.0
153.02901	5.7
154.02153	2.9
160.82248	0.2
166.75842	0.2
171.02899	3.4
175.32063	0.3
191.03453	0.3
205.04977	0.2
221.23808	0.2
237.03888	0.6
248.30341	0.3
255.04941	0.4
297.06067	8.1
298.06293	0.6
315.07074	0.9
315.10471	0.4
327.08560	0.3
338.00848	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	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01592	0.3
51.02386	0.5
53.03943	1.2
55.01874	0.5
57.03435	1.1
61.02924	0.6
61.91730	0.3
64.37111	0.3
69.03433	7.4
71.05000	0.7
75.31479	0.3
79.01859	5.3
81.03422	14.0
85.02905	4.1
97.02898	4.7
98.23448	0.6
99.04463	1.4
107.01344	2.3
109.02886	6.5
125.02347	4.4
127.03928	6.2
127.48676	0.3
141.30267	0.2
143.03401	6.9
153.01834	100.0
153.02872	5.1
154.02180	2.6
171.02884	3.8
205.04912	0.3
237.04033	0.3
287.12921	0.3
297.06052	6.7
315.07153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.7
61.61019	0.4
68.11922	0.4
69.03090	0.7
69.03436	10.8
69.03818	0.7
69.19335	3.4
71.53267	0.4
79.01855	4.5
80.11075	0.4
81.03388	0.7
85.02919	0.7
89.03896	0.7
91.05485	1.1
96.19155	0.5
97.02911	2.6
105.63069	0.4
107.01307	1.5
107.04910	0.7
107.91101	0.4
109.02898	1.1
116.76593	0.4
117.03405	0.9
119.04937	1.2
125.02350	2.9
127.03928	5.2
135.04425	2.8
137.06015	2.6
143.03406	5.9
145.02852	2.3
148.95412	0.4
153.01836	100.0
153.02882	5.2
154.02151	2.5
162.11462	0.4
163.03911	15.2
171.02824	0.6
177.05496	0.5
179.03456	1.1
191.03357	1.2
207.03006	0.4
233.04442	0.7
237.03940	1.6
297.06003	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	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02384	0.5
53.03939	1.3
55.01872	0.6
57.03432	0.5
61.02927	0.4
61.29531	0.3
69.03431	5.8
71.01351	0.3
71.04996	0.4
73.02929	0.3
79.01850	5.8
79.44907	0.3
81.03420	9.8
85.02906	4.4
86.29876	0.3
93.07067	0.3
95.04941	0.4
97.02902	4.1
98.22554	0.6
98.97472	0.3
99.04457	1.0
107.01335	2.6
109.02880	5.6
121.06487	0.9
122.06868	0.6
123.04426	1.3
125.02348	3.7
127.03939	5.5
137.02306	0.7
143.03394	6.7
145.02834	0.5
146.03242	0.3
153.01836	100.0
153.02901	5.5
154.02182	2.3
163.03970	0.4
165.01807	0.4
171.02908	4.1
171.07991	0.4
177.05458	0.9
178.05797	1.0
183.73470	0.3
193.04910	0.3
197.06149	0.3
199.53435	0.4
203.10695	0.6
227.69513	0.3
229.06882	0.3
254.05722	0.6
297.06015	4.7
315.04990	1.2
315.08704	1.7
315.14038	0.5
316.96521	0.3
329.36459	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	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01594	0.2
51.02380	0.6
53.03950	1.7
55.01868	0.8
55.05511	0.2
57.03445	1.4
57.18739	0.2
61.02911	0.4
67.05503	0.3
69.03432	7.1
70.47475	0.5
71.01360	0.3
71.04997	0.8
73.02918	0.4
79.01856	4.5
79.05511	0.2
81.03421	15.6
82.03749	0.5
85.02911	3.9
91.05486	0.4
95.08631	0.4
95.97129	0.2
97.02892	4.6
98.22549	0.2
99.04469	1.7
105.07003	0.5
107.01321	2.0
109.02884	7.3
121.10115	0.3
125.02339	3.5
127.03924	5.7
133.09959	0.2
143.03398	6.0
145.04897	0.4
147.04411	0.4
150.04388	0.2
153.01833	100.0
153.02893	5.5
154.02153	2.7
171.02896	3.8
178.05765	0.4
209.04417	0.2
237.03917	0.5
255.04961	0.3
297.06042	9.3
315.01373	0.5
315.07065	1.3
315.14044	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	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03948	1.3
55.01886	0.7
55.05514	0.5
55.92300	0.2
57.03445	0.8
61.02918	0.4
62.54933	0.2
67.05518	0.8
69.03432	6.0
69.07091	0.3
71.04992	0.6
79.01854	4.9
79.02316	0.3
79.05505	0.4
81.03422	9.2
81.07069	0.5
85.02909	4.6
86.09715	0.2
89.44949	0.2
91.05505	0.8
93.07057	1.8
95.04951	0.4
95.08618	1.6
97.02896	3.2
97.10131	0.2
99.04462	1.0
103.05492	0.3
105.04491	0.2
105.07043	0.7
107.01331	2.4
107.04928	0.2
107.08601	0.3
109.02885	5.7
109.06545	0.3
109.10184	0.2
116.98695	0.3
117.06997	0.4
119.08582	0.5
121.06512	2.9
121.10082	0.3
123.00729	0.4
125.02348	3.5
126.01185	0.2
127.03923	5.4
131.04942	0.3
133.06548	0.2
133.10216	0.2
135.08047	0.5
137.05968	0.2
138.03157	0.5
143.03409	6.6
145.04970	0.2
145.06369	0.2
145.10136	0.3
147.04381	0.4
147.08083	0.3
153.01833	100.0
153.02867	5.1
153.05394	6.4
154.02159	3.0
154.03307	0.2
154.05830	0.2
159.04408	0.7
162.03091	0.3
163.03987	0.3
163.07567	1.5
165.05534	0.9
165.12671	0.2
166.07751	0.3
171.01492	0.4
171.02896	4.7
175.07654	0.2
181.04980	0.4
181.10164	0.2
183.08005	0.2
191.03447	0.4
191.07024	0.3
193.05008	1.7
195.02849	0.8
198.06752	0.3
207.06439	0.2
208.08775	0.3
209.09502	0.3
210.06993	0.2
211.07539	0.3
213.05472	0.3
213.09268	0.2
219.06523	2.1
220.07162	0.2
223.11302	0.3
226.06421	0.2
226.09819	0.2
227.06903	0.3
237.03918	0.3
237.09073	0.4
239.06964	0.2
241.08572	0.5
245.07994	0.2
251.10565	0.3
254.09338	0.4
255.10085	0.3
259.09683	0.3
265.08643	0.2
269.11725	0.5
279.10168	0.4
282.08820	0.6
287.12741	0.6
297.06076	4.9
297.11102	1.8
298.06378	0.2
298.11423	0.2
315.01248	0.6
315.07349	0.9
315.12198	7.2
316.12732	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	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03952	0.6
53.88657	0.3
55.01867	0.4
55.05514	0.6
56.05035	0.5
56.82453	0.3
57.03427	0.7
58.99601	0.4
60.48353	0.3
61.02932	1.5
65.03911	0.3
67.05502	1.3
69.03436	5.9
69.07069	0.6
69.15903	1.7
69.16312	0.6
70.06583	0.3
70.50154	0.2
71.04995	0.7
79.01860	4.8
79.05485	1.3
81.03426	5.3
81.07061	1.4
83.04987	0.4
83.08609	0.4
85.02911	10.4
85.06550	0.4
86.00652	0.6
87.00852	0.3
91.05473	1.1
93.07036	1.6
95.04987	0.5
95.08606	1.0
97.01114	0.4
97.02903	4.6
98.22678	0.6
99.04441	1.0
105.07035	1.0
107.00714	0.3
107.01326	2.0
107.04947	0.7
107.08599	1.0
109.02886	4.4
109.10178	2.3
119.08570	0.7
121.06523	1.0
121.10159	0.4
123.11708	0.3
125.02355	3.3
127.03917	4.3
129.37358	0.3
131.08540	0.5
132.01117	0.5
133.10107	0.6
135.11707	0.6
140.91016	0.3
143.03407	6.9
145.04956	0.5
145.10123	0.4
147.04422	1.4
147.11676	0.4
149.09566	0.3
151.03922	0.3
151.11130	0.3
153.01837	100.0
153.02899	5.4
154.02156	2.9
159.11714	0.5
171.02917	2.9
173.09753	0.3
177.05531	0.4
178.05853	0.8
179.08594	0.3
187.11290	0.4
191.03514	0.4
194.15456	0.3
224.79695	0.3
254.05344	0.3
270.15457	0.4
271.05823	0.4
297.05969	1.8
298.14969	0.5
300.06357	0.5
315.01385	1.2
315.07938	1.6
315.19543	0.5
316.15997	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	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03749	0.2
53.03952	1.8
55.01869	0.5
57.03434	1.1
61.02915	0.6
67.05486	0.2
69.03429	7.3
69.32347	0.7
69.32750	0.4
71.05000	0.8
73.02902	0.4
79.01855	4.4
79.05512	0.3
81.03419	15.5
81.07059	0.3
85.02910	4.7
86.35246	0.2
91.05490	0.3
93.07015	0.4
95.08639	0.2
97.02893	4.5
99.04460	1.5
105.07054	0.4
107.01312	1.9
109.02877	7.4
119.08561	0.2
121.06516	0.4
123.00831	0.2
125.02354	3.7
127.03920	6.1
131.04964	0.3
143.02274	0.4
143.03398	6.4
145.02768	0.3
145.04941	0.3
145.10229	0.2
147.04393	0.6
153.01830	100.0
153.02882	5.4
154.02159	2.7
154.03375	0.3
159.11743	0.2
171.02879	3.9
177.05582	0.3
178.05835	0.3
179.03368	0.2
184.09172	0.2
191.03416	0.3
233.04308	0.2
237.03978	0.3
255.11427	0.2
287.01642	0.2
297.06052	9.7
297.25214	0.2
298.06354	0.7
315.01498	1.4
315.07391	1.1
315.19577	0.4
328.47531	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	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.4
51.02379	0.9
53.03941	1.5
54.81838	0.4
55.01860	0.5
55.80400	0.3
57.03437	0.9
61.02931	0.5
67.05509	0.8
69.03089	0.6
69.03436	6.9
69.07068	0.4
71.04999	0.9
71.28394	0.4
79.01859	5.2
79.05491	0.5
81.03426	13.2
81.07050	0.9
85.02910	4.7
85.06575	0.3
91.05463	0.6
93.07048	1.2
95.04989	0.5
95.08620	0.8
97.02896	3.7
99.04443	1.4
105.07038	0.9
107.01362	2.2
107.08614	0.7
109.02887	6.7
109.10188	0.5
119.08578	0.9
121.06508	2.0
121.10153	0.5
125.02360	3.9
127.03909	5.5
138.09195	0.3
143.03404	6.1
153.01839	100.0
153.02882	4.9
154.02216	2.4
159.11673	0.6
163.03969	0.4
171.02914	4.0
177.05544	0.6
177.08852	0.4
257.80194	0.3
283.10004	0.4
297.06079	8.1
298.06433	0.6
304.69556	0.4
315.07382	1.5
315.19540	1.2
316.22992	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	315.0712
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02377	0.6
53.03948	1.1
55.01863	0.6
55.05488	0.2
57.03428	0.9
61.02929	0.3
66.77259	0.2
69.03432	5.0
69.27853	0.5
69.28273	0.8
70.03770	0.3
79.01858	6.1
79.02312	0.4
79.05486	0.3
81.03423	7.1
81.07052	0.2
83.08624	0.2
85.02910	5.7
91.05500	0.4
93.07040	0.6
95.04929	0.2
97.02901	2.6
98.22653	0.4
98.97620	0.3
99.04463	0.8
107.01324	2.3
109.02882	5.3
109.10072	0.2
119.04929	0.4
121.06514	1.1
122.06841	0.6
123.00795	0.4
125.02351	4.3
127.03926	5.9
135.00752	0.2
143.02274	0.4
143.03400	7.4
145.02863	0.7
146.03183	0.6
147.04454	1.4
153.01836	100.0
153.02907	6.2
154.02177	2.6
171.02887	5.1
177.05472	1.0
178.05789	1.4
179.03442	0.3
189.05518	0.2
195.02841	0.4
297.06094	3.1
298.06393	0.3
315.01440	0.9
315.07132	0.9
315.14151	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	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.62371	0.1
53.03931	0.2
57.03438	0.2
68.99784	0.3
69.03422	0.5
79.01866	0.7
81.03417	0.6
85.02903	0.5
97.02901	0.3
107.01350	0.2
109.02881	0.5
111.00806	0.3
121.02863	1.7
125.02331	0.6
127.03918	0.6
131.04919	0.3
134.52119	0.1
135.04349	0.1
137.02348	0.2
141.06950	0.6
142.07793	0.8
143.03418	1.0
147.04332	0.2
149.02341	0.3
152.06203	0.6
153.01830	17.2
153.02855	0.8
153.06999	0.4
154.02124	0.6
155.04926	0.5
158.07188	0.1
159.04465	0.3
167.03400	0.1
169.06487	2.9
170.07263	2.6
171.02913	0.3
172.05122	0.2
180.05710	0.4
181.06482	2.4
183.04456	0.6
184.05179	0.2
187.03920	1.8
188.04128	0.1
193.01357	0.2
195.02899	1.3
197.04568	0.1
197.05975	5.2
198.06760	11.5
199.07076	0.4
208.05087	0.3
209.05959	1.4
213.05438	0.5
215.07042	0.1
216.78308	0.1
220.89500	0.1
225.05484	2.1
226.06233	7.1
227.06761	0.7
229.04965	0.3
237.05496	0.9
241.04938	0.2
242.05756	0.7
243.06474	0.4
253.04944	2.2
254.05737	42.0
255.06108	2.4
257.04483	0.8
265.04956	0.7
269.04440	2.5
270.05212	1.4
271.06012	6.3
272.06464	0.4
274.29410	0.1
281.04440	9.5
282.05212	16.4
283.05930	3.8
284.06445	0.2
285.03961	0.6
286.04709	3.7
287.05203	0.2
297.03720	0.2
299.05496	12.8
300.06244	10.3
301.06604	0.6
315.08612	100.0
316.08975	6.2
332.30789	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	315.0862
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
51.02375	0.1
53.03953	0.5
55.01862	0.6
55.05507	0.2
57.03439	10.2
58.03776	0.2
65.03931	0.5
67.01877	0.2
67.05518	0.2
68.99786	1.6
69.00131	0.2
69.03432	0.7
69.07063	0.2
70.42399	0.2
70.42772	0.2
71.04990	0.6
72.08150	0.2
79.01866	0.3
79.05490	0.1
81.03422	4.3
81.07056	0.2
82.03714	0.1
83.01343	0.7
83.05000	0.3
85.02908	26.9
86.03241	0.4
86.09716	0.1
91.05504	0.5
93.03409	0.3
93.07028	0.3
95.04976	0.3
95.08606	0.2
97.02888	2.1
99.04446	0.5
103.03971	0.2
105.03379	0.1
105.07031	0.3
107.01317	1.4
107.04971	0.3
107.08592	0.2
109.02884	4.0
109.06528	0.1
111.00810	1.2
111.04424	0.2
115.03944	0.1
116.05301	0.2
119.04952	0.6
119.08596	0.4
121.02874	2.3
123.04458	0.2
123.08096	0.2
125.02357	4.7
127.03928	1.1
131.08588	0.2
133.04984	0.1
135.00766	0.3
135.11685	0.1
139.03908	0.5
143.03419	0.3
146.11751	0.1
147.04413	0.8
147.08067	0.2
149.01135	0.2
149.02347	2.1
151.03908	0.1
151.11061	0.1
153.01836	8.2
154.02174	0.2
157.06488	0.1
163.03905	0.3
165.01874	0.6
165.12726	0.4
167.03432	1.0
171.02884	4.4
172.03235	0.1
177.01834	2.4
183.02881	0.3
185.06139	0.1
191.03429	0.3
192.06511	0.2
192.57489	0.1
195.02895	100.0
196.03232	3.1
213.03903	1.7
213.05548	0.2
214.01158	0.1
214.15660	0.1
219.02945	0.7
231.06561	0.2
239.30586	0.1
241.04936	0.2
249.03925	0.2
261.03940	0.2
269.04044	0.1
273.07614	0.9
279.04871	0.2
297.06387	0.1
315.01517	0.1
315.05084	0.3
315.08551	1.9
315.12854	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	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03934	0.3
64.99128	0.3
70.38091	0.8
70.52677	0.3
72.75117	0.3
83.79646	0.3
85.23351	0.3
89.03885	0.7
90.04234	0.3
91.05467	1.3
92.05810	0.7
93.07034	1.8
94.07364	1.2
95.04946	0.6
103.05486	1.4
104.05772	0.9
105.03376	0.4
114.74870	0.3
117.03394	2.8
118.03727	2.3
121.02843	1.8
121.05650	0.4
121.06501	8.8
122.06052	0.3
122.06844	5.8
125.50595	0.3
138.63210	0.3
142.07761	0.6
145.02846	6.4
146.03178	6.3
149.05960	0.7
150.06305	0.7
152.06116	0.4
153.01801	1.4
153.07037	0.4
155.04834	0.5
169.06468	2.3
170.07281	2.9
177.05466	10.5
178.05809	13.6
179.06078	0.4
181.06418	1.8
183.04361	0.5
184.05223	0.3
187.03914	2.0
192.70375	0.3
197.05980	5.2
198.06758	11.6
199.07092	0.8
200.31436	0.3
209.05989	1.3
225.05482	1.8
226.06235	7.7
227.06732	1.0
237.05392	1.1
242.05673	0.7
253.04880	2.0
254.05736	40.5
255.06064	2.7
257.04446	1.0
265.04962	0.9
269.04541	2.1
270.05170	1.1
271.05972	6.5
272.06332	0.7
272.20081	0.7
281.04413	10.9
282.05209	19.3
283.05942	3.9
285.03879	0.4
286.04672	3.5
299.05484	12.4
300.06277	9.4
301.06534	0.5
315.08615	100.0
315.13861	5.9
316.08987	6.7
316.14471	0.4
316.22787	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	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.74832	0.2
64.80629	0.3
67.05480	0.5
69.07060	0.2
71.28918	0.2
76.85741	0.3
79.05485	0.5
83.08607	0.4
91.05460	0.3
93.07022	0.5
95.04983	0.3
95.08574	0.3
97.18771	0.2
97.34714	0.2
105.07021	0.2
109.10111	0.2
121.06486	0.2
121.10100	0.3
124.01527	0.4
135.08034	0.3
145.10178	0.5
149.06042	0.3
153.01785	0.3
159.08122	0.2
167.03374	1.8
173.05919	0.3
201.05469	0.5
215.06892	0.3
229.05063	0.5
243.06512	2.2
244.06787	0.3
257.04446	2.3
271.06149	1.2
272.06793	47.6
273.07111	2.5
285.04010	0.7
300.06284	57.2
301.06631	3.2
315.08615	100.0
316.08951	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	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79390	1.1
53.03936	2.1
55.01868	5.3
55.05517	11.7
57.03437	6.9
61.02924	4.2
65.83617	1.0
67.05492	5.0
69.03429	14.2
69.07082	5.7
69.38062	1.7
69.38467	4.5
71.01366	2.9
71.04998	18.8
73.02928	5.8
79.01839	3.4
79.05498	5.6
81.03426	9.0
81.07069	10.2
83.04988	1.6
85.02910	20.1
87.04483	2.0
91.05476	9.0
92.36275	1.1
93.07049	12.6
95.04971	5.0
95.08630	7.0
97.02895	7.3
97.06540	2.6
99.04468	1.9
103.03937	3.4
105.07037	21.6
107.01295	2.2
107.04920	1.7
107.08598	13.7
109.02915	5.6
109.06526	8.4
109.10161	4.8
115.03941	3.9
115.05445	1.3
117.07015	5.9
119.04957	1.7
119.08589	17.0
121.06506	4.6
121.10127	3.8
123.08083	7.8
125.02342	4.1
127.03936	5.7
128.06223	2.8
129.05513	1.7
129.07022	2.9
131.08572	10.7
133.04967	6.1
133.06526	3.9
133.10100	3.4
135.08015	1.8
135.11673	4.1
137.05994	1.6
137.09622	5.2
139.11218	1.8
143.03444	5.5
143.08591	4.3
145.06467	2.3
145.10139	8.5
147.08049	10.4
147.11705	5.1
149.09624	3.2
151.07642	1.3
151.11166	2.0
153.01842	100.0
153.02928	5.7
153.12714	2.8
154.02165	2.6
155.08542	1.7
157.10104	1.3
159.08067	3.3
159.11742	3.1
161.09700	2.2
161.13225	1.6
163.03975	1.8
163.11189	6.2
165.12761	17.4
168.09204	1.2
171.02908	3.6
171.08066	1.7
171.11678	2.3
173.09627	8.4
173.13286	2.5
175.07477	1.4
177.12793	4.9
179.10579	1.6
189.12784	4.4
191.10722	2.4
193.08530	1.1
195.13768	1.4
197.13193	1.3
219.13870	3.1
225.12836	1.7
231.13818	2.8
243.13846	2.7
261.14914	5.7
279.15906	4.6
297.05994	2.4
297.17062	3.5
315.18094	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00331	0.8
53.03940	2.4
55.01862	3.2
55.05503	3.5
57.03442	4.2
61.02927	2.0
67.05502	1.2
69.03434	9.8
69.07074	1.2
70.06576	0.9
70.12483	0.7
71.01369	1.1
71.04982	5.2
73.02910	3.6
79.01853	5.1
79.05489	3.1
81.03423	11.1
81.07046	2.8
83.04996	1.3
83.08616	0.8
85.02910	9.1
86.09700	1.2
91.05485	10.5
92.05789	3.8
93.07058	4.4
95.04961	2.6
95.08590	2.2
97.02917	6.1
97.06508	1.0
98.23391	1.5
103.03976	1.5
103.05458	0.8
105.07034	6.9
107.01315	2.0
107.08609	6.7
109.02900	4.7
109.06531	4.7
109.10150	2.2
115.03918	2.2
117.06997	2.1
119.04935	3.5
119.08591	6.8
120.05291	2.1
121.06557	1.6
121.10151	1.1
123.04443	0.8
123.08047	2.8
125.02346	4.4
127.03922	7.0
129.05511	0.8
129.07028	0.8
131.08575	3.1
133.04993	3.8
133.06459	0.8
135.08025	1.0
135.11705	1.9
137.05971	7.2
137.09625	1.5
138.06290	3.9
143.03386	5.8
143.08501	1.0
145.10120	2.5
147.04509	0.8
147.08047	3.3
149.09615	1.7
149.68411	0.7
151.11185	1.2
153.01836	100.0
153.02864	5.1
153.12761	2.3
154.02173	3.5
159.11676	1.2
161.09692	1.1
163.03886	1.3
163.11185	2.4
163.82478	0.9
165.12759	8.1
171.02887	2.4
171.11729	1.2
173.09615	2.5
173.13260	1.2
175.07709	0.8
177.12720	2.3
178.04982	7.3
179.05336	10.1
187.11192	1.2
189.12808	1.8
193.12271	0.9
207.13745	0.9
219.13828	1.8
261.14871	1.0
279.15988	1.5
297.06067	3.5
315.07095	1.9
315.10583	18.0
315.14124	4.1
315.17764	1.2
316.10663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.232
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.25799	0.5
55.05518	3.1
55.05742	0.6
57.07064	1.2
67.05503	8.7
69.07056	2.3
70.06598	1.0
70.44783	1.7
71.04995	1.2
74.09770	0.7
75.29465	0.6
79.05488	7.9
81.07056	11.9
83.04982	6.8
83.08605	1.1
87.04462	10.8
88.07645	1.8
91.05482	5.8
93.07046	17.7
95.08611	15.0
97.06534	13.6
102.09164	1.2
105.07033	12.0
107.04956	2.5
107.08599	13.0
109.06522	5.4
109.10168	5.3
117.07015	1.3
119.08585	8.6
121.06513	1.9
121.10132	6.0
123.08076	3.1
123.11708	3.5
126.74323	0.6
128.06264	0.8
129.07014	1.5
130.07719	0.7
131.08578	4.9
133.06502	1.8
133.10132	6.4
135.08061	1.2
135.11694	47.8
136.12012	2.0
137.09634	1.1
141.06956	0.8
143.08546	2.3
145.10123	4.5
146.07245	0.6
147.08064	3.7
147.11639	2.5
149.09641	5.1
149.13234	1.2
155.08554	2.3
157.10129	4.2
159.08122	1.2
159.11684	2.2
160.08795	0.7
161.09641	7.7
161.13255	15.1
163.11186	4.5
169.10109	1.7
171.11690	2.5
173.09627	10.4
173.13246	2.7
174.09937	0.6
175.11177	7.7
175.14861	1.9
177.12662	0.7
179.14281	3.5
183.11667	3.5
185.13271	1.3
187.11150	1.8
187.14781	1.3
189.12679	1.0
197.13246	2.1
199.14803	1.1
200.46100	0.7
201.12727	2.1
201.16417	1.6
209.13280	1.6
210.13916	1.0
213.12735	1.1
213.16373	0.7
214.13708	0.8
215.14304	0.9
215.17993	0.9
223.14748	0.8
227.14285	1.8
227.17958	0.8
229.15964	0.8
239.17896	3.2
241.15900	1.4
247.33456	0.6
253.19513	2.4
255.09882	1.5
255.21100	0.9
256.26419	3.6
268.18161	1.0
271.20642	4.3
272.06750	0.8
279.21036	2.5
297.22122	20.2
298.22476	1.3
299.05600	0.8
300.06226	3.1
315.08798	3.7
315.23187	100.0
316.23578	6.9
316.28455	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	316.1181
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
56.87917	0.3
61.31049	0.2
65.03949	0.5
69.03403	0.4
69.23576	0.3
69.37517	1.4
69.91031	0.2
71.50041	0.3
79.01853	0.4
79.05487	1.5
89.03408	0.5
89.03924	6.2
91.05485	8.5
92.05834	0.3
95.04974	0.3
107.04974	2.2
109.06544	0.4
117.03389	10.1
118.03759	0.3
119.04944	4.3
135.04420	16.9
136.04774	0.4
137.05978	15.0
138.06310	0.4
145.02856	12.9
146.03168	0.3
153.01839	3.7
154.02168	3.4
154.03275	0.4
154.08633	5.1
163.03911	100.0
164.04245	2.6
316.11841	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	316.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01889	0.2
63.02401	0.3
65.03938	0.5
69.03430	0.4
69.07071	0.7
70.06581	0.4
71.05034	0.2
71.28593	0.3
72.08192	0.2
79.05495	1.4
81.03430	0.2
81.07065	0.5
84.04507	0.3
84.08147	0.4
85.02895	0.3
86.06091	0.2
86.09710	27.6
87.10014	0.3
89.03921	7.7
90.04263	0.3
91.05484	8.9
92.05795	0.2
93.07050	0.5
95.04969	0.6
97.06525	0.2
100.70506	0.2
107.04962	3.4
109.06511	0.8
109.10173	0.2
117.03385	10.4
119.04941	4.3
121.02840	0.3
128.05469	0.2
130.05020	0.2
130.06483	0.2
132.10210	2.1
133.10150	0.3
134.03644	0.5
135.04417	21.4
136.04797	0.4
137.05983	16.2
145.02853	15.2
146.03236	0.5
153.01868	1.4
154.02138	1.6
154.08638	5.5
157.13368	9.4
163.03908	100.0
164.04247	2.6
168.00465	0.3
169.01242	0.3
185.12868	4.4
186.05539	0.3
195.02876	0.4
196.03294	0.5
197.62117	0.2
199.18098	2.0
203.13896	1.9
227.17543	0.7
228.04181	0.7
257.04422	0.4
272.18475	0.4
273.03772	0.3
274.04880	0.4
285.03909	1.2
301.03491	1.1
302.04208	10.1
316.05478	0.6
316.11801	2.7
317.03488	0.5
317.06558	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	316.1181
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
52.11503	0.3
64.72976	0.2
79.05495	1.5
81.07039	0.4
86.09705	0.4
89.03917	6.4
91.05482	9.5
91.43645	0.3
98.22594	0.8
107.04961	3.1
109.06521	0.5
117.03378	11.4
119.04957	4.3
119.79810	0.2
121.67811	0.3
135.04416	18.7
137.05975	15.2
137.07050	0.6
138.06288	0.3
140.28001	0.3
144.32199	0.3
145.02849	14.5
153.01817	0.7
154.02150	0.5
154.08624	6.1
163.03903	100.0
164.04274	3.0
165.05510	0.4
166.20276	0.2
180.06497	0.4
220.67084	0.3
316.11798	3.0
317.02835	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	316.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34392	0.2
63.02357	0.5
69.03432	0.4
69.80339	0.5
74.53877	0.2
79.05507	1.1
81.07074	0.2
86.09711	1.2
89.03927	6.1
91.05489	8.4
105.04713	0.2
107.04953	2.2
109.06516	0.3
117.03391	9.5
119.04959	4.6
121.06498	0.6
123.04407	0.3
135.04425	18.2
135.57642	0.2
136.04761	0.4
137.05989	15.8
138.06325	0.4
144.06566	0.3
145.02861	13.4
146.03181	0.4
153.01857	1.5
154.02188	1.5
154.08629	5.2
163.03915	100.0
164.04245	3.2
169.36435	0.2
180.06537	0.6
203.31052	0.2
316.11804	2.3
317.02914	0.5
317.06387	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	316.1293
Annotation	Maremycin D2
Peak:m/z	Relative Intensity
52.31242	0.4
53.87838	0.4
56.05025	0.7
59.97121	0.5
65.03947	0.5
67.04243	1.4
68.04682	0.6
68.05031	8.9
69.03433	0.8
69.30164	2.3
70.06587	2.3
80.05050	0.7
81.04543	1.4
82.06570	1.4
83.06094	1.8
86.09674	0.6
91.05495	5.7
95.06100	4.4
96.06876	17.0
97.02886	0.8
97.07091	0.7
97.07661	8.9
105.07008	1.3
107.04914	0.6
107.06065	0.8
109.07642	100.0
110.07291	0.6
110.07973	1.8
119.04093	0.8
119.04945	15.4
121.79073	0.5
122.09657	0.9
122.73306	0.4
124.08716	6.6
125.07114	1.2
126.05456	0.7
126.10280	36.3
127.10632	0.7
133.06453	0.6
135.05554	1.7
147.04411	44.1
148.04749	1.6
153.01852	3.7
153.03008	0.6
153.06592	10.3
154.02156	3.4
154.04953	0.6
158.06001	0.6
164.07091	0.5
170.09253	22.8
203.10301	1.5
249.79964	0.5
254.12938	0.6
270.12479	0.5
272.13956	12.2
273.14175	0.7
281.26337	0.5
298.11887	2.3
316.12930	67.5
317.13187	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	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.64977	0.5
55.05513	0.5
69.95448	1.7
70.84081	0.5
73.24274	0.6
80.05007	1.2
81.07044	1.0
83.68873	0.5
84.08111	0.7
84.65227	0.5
84.74515	0.5
85.81252	0.5
87.10231	0.5
91.05478	5.7
93.07048	11.6
95.04971	1.7
95.08613	0.7
98.06049	0.9
98.09690	0.7
103.05480	5.8
105.04493	0.8
107.08608	0.7
108.08125	0.7
110.09679	1.8
121.06506	97.9
122.06824	2.6
122.09657	1.2
123.10492	1.0
124.11288	0.8
135.11708	1.0
136.11192	3.1
138.39468	0.6
150.12770	2.3
152.14346	38.0
153.01753	1.2
153.14632	1.0
154.02142	1.4
154.04971	0.6
174.11600	0.5
196.16995	3.1
199.41974	0.5
200.10765	2.4
218.11775	5.0
218.15300	1.2
242.15492	1.4
272.20084	100.0
273.20392	5.5
302.00443	1.7
302.04031	1.0
316.22702	97.0
317.02911	3.2
317.06589	2.8
317.23117	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	316.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01846	1.2
55.05511	7.2
57.03435	4.2
57.07066	1.8
61.48148	0.7
65.03923	1.0
67.05506	43.2
69.03407	1.0
69.07066	6.0
71.04980	2.5
79.05499	19.6
81.03417	1.9
81.07059	25.7
83.04976	1.2
83.08614	1.3
84.04544	0.8
91.05485	14.9
93.06470	1.7
93.07046	25.9
93.07635	1.6
95.04964	8.2
95.08611	61.4
96.08949	1.0
98.09683	2.4
103.05498	4.8
105.07029	12.8
107.08598	11.2
109.06570	3.8
109.07170	0.7
109.10159	31.2
111.08047	1.2
117.07053	1.3
118.61061	0.9
119.08589	16.1
121.06509	100.0
121.10102	4.0
122.06839	3.6
123.08065	4.2
123.11739	1.6
127.61452	0.9
133.10130	5.2
135.11710	3.6
136.07568	3.0
137.09607	7.4
137.13148	1.1
138.09143	10.3
149.13246	3.1
151.14835	10.4
161.13235	6.5
178.05751	1.3
179.06015	0.9
179.14349	8.7
196.16965	3.0
218.15425	10.2
246.14906	3.5
299.20114	1.0
316.22717	89.1
317.06625	1.8
317.23279	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	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03930	0.5
53.56701	0.5
55.05518	7.3
56.05038	5.0
57.03445	0.8
57.07073	3.2
59.05001	0.5
59.97194	0.5
60.04528	100.0
61.04868	0.6
63.29852	0.5
67.05509	13.1
68.05028	0.7
69.03426	0.8
69.07072	6.7
70.06611	1.3
70.96017	1.0
71.08638	0.8
72.04511	2.3
74.06071	2.1
79.05489	5.1
80.05013	0.9
81.03345	0.6
81.07053	9.2
82.06577	1.5
83.04986	1.0
83.08630	4.4
86.06078	0.9
87.04471	1.1
90.05534	1.0
91.05495	4.1
93.07053	5.3
94.06574	0.7
95.04984	2.8
95.08614	9.0
97.06574	0.7
97.10191	1.2
105.07043	2.9
107.08602	4.4
109.06533	2.0
109.10159	11.1
112.07616	0.8
119.08590	5.6
121.10155	2.3
122.09740	0.6
123.08109	1.6
123.11697	1.1
127.03982	0.5
133.10149	2.2
135.11681	0.9
137.08600	0.9
137.09598	5.9
145.10110	0.9
147.11670	0.8
149.09592	0.6
149.13121	0.5
151.07541	4.3
157.10176	0.7
157.54550	0.6
159.11743	0.6
164.05046	0.6
173.13348	0.6
189.12766	1.5
207.13707	1.3
237.15031	0.9
250.25211	1.3
262.25226	1.3
263.23752	0.7
268.26373	0.6
280.26361	12.5
298.27417	13.9
299.20279	0.7
299.27942	0.7
316.28476	32.1
317.21143	6.0
317.28751	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	316.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56535	0.3
55.05513	0.7
56.05038	1.0
57.07080	19.9
60.04527	16.4
67.05492	1.4
69.07069	0.9
69.76867	1.4
70.06595	17.7
71.08634	8.5
74.06094	0.4
79.05485	1.2
81.07050	1.7
82.06586	0.4
83.08620	0.7
85.10181	4.5
85.75461	0.3
86.06068	0.4
88.07633	25.5
89.07961	0.6
91.05491	0.5
93.07037	0.8
95.08641	0.8
98.22676	0.6
99.89491	0.3
102.09166	0.5
106.08669	34.1
109.10181	0.4
116.07088	0.5
121.10137	0.4
134.13957	0.4
159.98459	0.3
174.13144	0.4
219.27547	0.4
254.15558	0.5
272.16446	1.2
280.26434	1.2
298.27377	2.0
298.30783	0.8
316.28806	4.5
316.32086	100.0
317.28857	0.7
317.32455	7.4
324.08878	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	317.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25774	0.2
65.18076	0.2
67.11897	0.2
70.89785	0.5
75.88076	0.2
76.31499	0.2
81.07066	0.5
85.02911	0.2
89.03960	0.3
91.05482	0.3
103.05487	0.3
107.04983	0.3
115.05458	0.4
116.02616	0.3
117.03374	0.4
129.33832	0.2
131.04913	0.5
135.04399	0.4
135.78072	0.2
136.04822	0.2
137.05977	0.3
139.03937	0.3
145.02840	0.8
151.04079	0.2
153.01840	0.7
154.02164	0.3
155.02298	0.6
159.04451	0.4
160.01559	0.2
161.06012	0.4
162.03136	1.2
163.03928	1.5
164.04251	1.4
165.01883	0.4
165.05507	0.2
171.04395	0.5
172.01614	0.3
173.02341	1.2
174.03174	1.4
177.05345	0.2
187.03902	1.0
189.01846	1.0
190.02617	4.6
190.04196	0.3
191.03168	0.3
197.02322	0.5
199.03966	0.4
200.01083	0.3
201.01816	2.2
202.02562	1.1
205.05011	0.2
215.03410	2.1
217.01355	0.5
217.05003	1.0
218.02098	4.1
221.04561	0.2
225.01775	1.4
227.03448	0.6
228.00456	1.9
229.01265	1.0
230.02130	0.6
243.02901	4.8
244.03239	0.3
245.04478	0.6
246.01602	11.3
247.02094	0.5
251.38165	0.2
253.01370	0.2
255.02817	0.3
256.00037	0.5
257.00800	7.6
258.01523	1.3
261.03998	0.5
271.02402	4.4
271.05328	0.2
272.02802	0.2
273.00552	0.4
273.03897	0.9
274.01093	0.8
279.51941	0.2
283.99548	0.7
285.00317	4.3
286.01062	1.2
288.92609	0.2
289.03418	1.3
299.01889	3.9
300.02344	0.3
302.00568	65.6
303.00900	3.8
317.02905	100.0
317.15274	2.0
318.03235	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	317.0292
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.29428	0.2
59.84550	0.2
60.33691	0.3
60.80236	0.2
65.12270	0.2
69.32219	1.2
77.34370	0.2
86.09707	3.7
89.03920	0.3
91.05500	0.4
98.96072	0.2
107.60992	0.2
110.26884	0.2
115.05451	0.3
117.03411	1.0
118.03756	0.3
119.04903	0.3
123.04466	0.5
130.55461	0.2
131.04988	0.4
133.02991	0.2
135.04436	0.9
136.04776	0.6
137.05989	0.7
144.01915	0.3
145.02899	1.4
146.03267	0.5
146.05994	1.2
147.04445	0.3
157.13376	0.3
159.04492	0.3
162.03154	1.1
163.03906	4.0
164.04260	3.1
165.01822	0.4
165.05461	1.2
171.04477	0.5
172.01561	0.4
173.02357	0.6
174.03159	0.8
177.05490	0.5
187.03970	0.9
188.07091	2.4
189.01898	0.8
189.05525	0.4
190.02625	3.8
191.03337	0.3
199.03871	0.4
200.00981	0.4
201.01768	2.1
202.02608	1.3
205.05067	0.3
205.09784	1.7
215.03343	1.6
216.03612	0.2
217.04947	1.0
218.02097	2.9
225.01904	1.0
227.03436	0.6
228.00639	1.4
229.01355	0.7
230.02136	0.5
243.02905	4.0
245.04489	0.5
246.01607	9.2
247.02187	0.4
256.00034	0.5
257.00821	6.5
258.01437	1.1
261.03925	0.7
271.02332	3.8
273.04065	0.9
274.01035	0.8
283.99326	0.5
285.00244	3.1
286.01050	1.0
289.03525	1.4
299.01782	3.4
302.00574	52.5
303.00882	2.7
317.02911	100.0
318.03244	6.5
318.18307	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	317.0293
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
54.92575	0.2
58.93839	0.1
59.53558	0.2
69.03962	1.3
77.34339	0.2
81.07097	0.3
91.05555	0.2
93.07094	0.2
95.08592	0.2
103.05477	0.2
105.07048	0.4
107.08665	0.3
115.05479	0.2
117.03424	0.3
131.04956	0.6
134.03683	0.3
144.02228	0.2
145.02893	0.5
146.03665	0.3
153.01825	0.3
155.02338	0.2
159.04340	0.3
161.05983	0.2
162.03101	1.4
165.01808	0.4
167.42456	0.2
169.02798	0.2
171.04456	0.5
172.01747	0.4
173.02350	0.7
174.03143	1.4
187.03967	1.1
189.01839	1.2
189.05457	0.2
190.02625	4.6
191.03307	0.3
197.02342	0.4
199.03874	0.4
200.01118	0.6
201.01859	1.9
202.02623	1.2
205.04936	0.3
213.01862	0.2
215.03403	2.1
216.03854	0.2
217.01366	0.5
217.05002	0.7
218.02100	3.2
225.01918	1.6
227.03391	0.5
228.00523	1.8
229.01370	0.6
230.02109	0.8
233.04436	0.2
243.02898	4.8
243.04784	0.2
245.00850	0.2
245.04445	0.5
246.01620	11.9
247.02121	0.7
253.01353	0.3
253.19669	0.2
256.00034	0.7
257.00830	6.0
258.01532	1.4
261.04053	0.5
271.02371	4.6
271.05231	0.3
271.20575	0.3
272.02927	0.3
272.99905	0.2
273.01254	0.2
273.03943	1.3
274.01147	0.7
283.99557	0.6
285.00317	2.9
286.00906	0.9
289.03506	1.3
299.01868	3.7
299.20282	0.2
300.02289	0.2
300.99973	0.4
302.00583	65.0
303.00916	3.9
317.02921	100.0
318.03244	6.5
318.06955	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	317.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20928	0.1
55.01855	0.2
65.03931	0.2
66.01090	0.7
67.05499	0.2
68.02638	0.1
68.99774	0.5
69.03426	0.1
71.01337	0.1
71.30737	0.1
77.35237	0.1
78.01041	0.3
79.05490	0.2
81.03398	0.4
81.07027	0.3
83.05031	0.1
84.02116	0.2
91.05451	0.3
92.02638	0.7
93.03387	0.2
93.06999	0.1
95.04955	0.2
95.08609	0.2
96.02096	0.1
105.07030	0.2
107.04892	0.1
107.08569	0.2
108.02102	0.3
109.02874	0.2
110.03661	3.4
111.00708	0.1
117.07014	0.1
119.04958	0.1
119.08475	0.1
120.02094	0.2
121.02864	0.3
121.06503	0.2
121.10128	0.2
122.03635	0.1
123.04447	0.3
124.01604	0.1
126.03150	0.6
131.04874	0.2
135.08035	0.1
136.01509	0.3
137.02345	6.7
137.03378	0.5
139.03917	0.1
144.05707	0.1
145.06363	0.1
147.04433	0.1
149.02228	0.2
150.03104	0.5
150.27956	0.1
152.01035	0.1
153.01836	4.0
153.03107	0.2
154.02545	0.3
155.02278	0.1
159.04420	0.2
163.03902	0.3
165.01820	0.4
166.02620	0.3
171.04382	0.1
172.05174	0.4
173.06007	0.2
176.04659	0.2
177.05424	0.2
179.03224	0.1
186.03101	0.2
187.03941	0.3
188.61417	0.1
189.05496	0.2
190.06265	0.1
192.04221	0.2
193.01303	1.1
199.03976	0.1
200.04662	2.8
201.05396	0.4
203.03432	0.5
204.04189	1.3
205.04945	0.2
211.03932	0.2
214.02725	0.1
215.03342	0.4
217.04984	1.1
218.05772	0.6
227.03366	0.3
228.04175	8.7
229.04935	4.8
230.05312	0.2
231.02904	0.4
232.03683	0.3
243.06418	0.2
245.04460	4.1
246.05107	0.8
255.02914	0.2
256.03680	1.5
257.04465	3.3
258.04904	0.2
271.05923	0.2
273.03909	2.1
274.04721	9.6
275.05057	0.5
284.03305	0.1
285.00629	0.2
285.03943	3.3
286.04471	0.2
289.07117	0.3
299.09250	0.2
299.20081	0.1
301.03424	30.7
302.04193	81.0
303.04529	4.2
317.06543	100.0
318.06897	5.8
318.10635	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	317.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20928	0.1
55.01855	0.2
65.03931	0.2
66.01090	0.7
67.05499	0.2
68.02638	0.1
68.99774	0.5
69.03426	0.1
71.01337	0.1
71.30737	0.1
77.35237	0.1
78.01041	0.3
79.05490	0.2
81.03398	0.4
81.07027	0.3
83.05031	0.1
84.02116	0.2
91.05451	0.3
92.02638	0.7
93.03387	0.2
93.06999	0.1
95.04955	0.2
95.08609	0.2
96.02096	0.1
105.07030	0.2
107.04892	0.1
107.08569	0.2
108.02102	0.3
109.02874	0.2
110.03661	3.4
111.00708	0.1
117.07014	0.1
119.04958	0.1
119.08475	0.1
120.02094	0.2
121.02864	0.3
121.06503	0.2
121.10128	0.2
122.03635	0.1
123.04447	0.3
124.01604	0.1
126.03150	0.6
131.04874	0.2
135.08035	0.1
136.01509	0.3
137.02345	6.7
137.03378	0.5
139.03917	0.1
144.05707	0.1
145.06363	0.1
147.04433	0.1
149.02228	0.2
150.03104	0.5
150.27956	0.1
152.01035	0.1
153.01836	4.0
153.03107	0.2
154.02545	0.3
155.02278	0.1
159.04420	0.2
163.03902	0.3
165.01820	0.4
166.02620	0.3
171.04382	0.1
172.05174	0.4
173.06007	0.2
176.04659	0.2
177.05424	0.2
179.03224	0.1
186.03101	0.2
187.03941	0.3
188.61417	0.1
189.05496	0.2
190.06265	0.1
192.04221	0.2
193.01303	1.1
199.03976	0.1
200.04662	2.8
201.05396	0.4
203.03432	0.5
204.04189	1.3
205.04945	0.2
211.03932	0.2
214.02725	0.1
215.03342	0.4
217.04984	1.1
218.05772	0.6
227.03366	0.3
228.04175	8.7
229.04935	4.8
230.05312	0.2
231.02904	0.4
232.03683	0.3
243.06418	0.2
245.04460	4.1
246.05107	0.8
255.02914	0.2
256.03680	1.5
257.04465	3.3
258.04904	0.2
271.05923	0.2
273.03909	2.1
274.04721	9.6
275.05057	0.5
284.03305	0.1
285.00629	0.2
285.03943	3.3
286.04471	0.2
289.07117	0.3
299.09250	0.2
299.20081	0.1
301.03424	30.7
302.04193	81.0
303.04529	4.2
317.06543	100.0
318.06897	5.8
318.10635	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	317.064
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01912	0.2
65.03997	0.1
66.01090	0.6
67.01880	0.1
67.34209	0.1
68.02695	0.2
68.99787	0.6
71.01408	0.1
71.30693	0.1
71.31068	0.1
71.43363	0.1
71.58342	0.1
77.35277	0.1
78.01122	0.3
81.03455	0.3
83.05053	0.1
84.02147	0.2
91.05502	0.2
92.02640	0.7
93.03466	0.3
93.07088	0.2
94.04172	0.1
95.05058	0.1
95.08652	0.1
105.07063	0.2
107.04983	0.1
107.08618	0.1
108.02176	0.3
109.02908	0.2
110.03665	3.4
111.00872	0.2
111.03992	0.1
115.05592	0.1
117.03408	0.1
118.03741	0.1
120.02139	0.2
121.02879	0.5
121.06567	0.3
122.03675	0.2
122.06895	0.2
124.01659	0.2
126.03139	0.5
127.03913	0.2
131.08702	0.1
135.04498	0.2
136.01636	0.3
136.83539	0.1
137.02350	6.4
137.03412	0.5
137.05969	0.2
138.02835	0.1
144.05681	0.2
145.02853	0.2
145.10161	0.1
146.03221	0.2
147.03383	0.2
147.04440	0.2
147.11729	0.1
149.02400	0.3
150.03091	0.5
151.03989	0.1
152.01105	0.1
153.01825	4.0
154.02397	0.2
155.02315	0.2
157.70049	0.1
159.04509	0.1
163.03951	0.2
165.01886	0.5
166.02684	0.4
170.02158	0.1
171.04472	0.1
172.05280	0.3
173.05986	0.1
177.05540	0.3
178.05898	0.2
179.03497	0.1
179.06075	0.4
180.06329	0.3
183.02913	0.1
186.03171	0.3
187.03963	0.3
189.05530	0.3
190.06367	0.1
191.03375	0.1
192.04163	0.2
193.01337	1.1
193.02873	0.1
198.06686	0.1
199.03844	0.2
199.07016	0.2
200.04689	3.1
200.07465	0.2
201.05431	0.4
203.01845	0.1
203.03346	0.5
204.04210	1.5
205.04939	0.2
210.01584	0.2
211.03886	0.1
214.02638	0.2
215.03455	0.3
215.06975	0.1
217.04990	1.2
218.05722	0.8
226.06206	0.1
227.03409	0.2
228.04185	9.1
229.04941	5.1
230.05296	0.3
231.02934	0.5
232.03778	0.2
243.06529	0.2
245.04462	4.4
246.05110	1.1
254.05711	0.3
255.02975	0.2
255.05974	0.2
256.03696	1.4
256.06396	0.8
257.04453	3.4
258.04910	0.2
271.05804	0.2
273.03891	2.1
273.06564	0.1
274.04706	11.3
275.04987	0.5
283.05188	0.4
284.03067	0.1
284.05771	0.4
285.03925	3.7
286.04330	0.2
288.02652	0.2
289.06979	0.4
301.03427	33.4
302.04193	91.0
303.04538	4.8
316.05115	0.2
317.06519	100.0
318.06876	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	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05463	0.1
56.81634	0.2
58.28962	0.2
63.02337	0.2
65.03857	0.5
65.04152	0.2
67.05445	0.3
68.99721	0.6
69.03370	0.4
69.17406	1.0
72.32230	0.2
76.60430	0.1
79.05435	0.2
81.03356	0.3
81.06960	0.6
84.04418	0.8
88.11232	0.2
91.05418	0.4
91.51011	0.2
92.02626	3.4
92.03447	0.2
93.03311	2.9
93.06976	0.4
95.01227	0.2
95.04895	0.3
95.08527	0.3
97.02808	0.2
97.06442	0.2
98.22649	0.3
99.04328	0.2
105.06940	0.6
107.04919	0.2
107.08544	0.3
109.02805	0.2
109.06413	0.2
109.10068	0.2
110.03568	0.2
111.00703	0.5
117.06989	0.4
119.08497	0.2
121.02868	2.2
121.06404	0.3
122.03596	0.2
123.07958	0.2
124.01514	0.2
126.03152	1.3
133.06427	0.2
135.04382	0.3
135.07939	0.2
137.02348	1.1
137.05902	0.2
139.03918	1.3
143.08405	0.2
144.06511	0.3
145.10019	0.2
147.04373	0.2
147.07928	0.2
147.11658	0.2
151.03903	1.5
152.00922	0.4
153.01831	17.9
154.02129	0.5
154.12138	0.6
155.02240	0.4
155.04823	0.3
161.05923	0.3
163.03946	0.8
165.01848	1.1
166.02615	0.4
169.10153	0.2
173.05911	0.6
176.04680	0.2
177.05338	0.5
179.03342	0.4
183.02846	0.3
183.04340	0.4
185.12958	0.2
187.03934	0.3
189.05368	0.3
190.02589	0.3
191.03300	0.2
192.04092	0.3
200.04741	0.8
201.05467	1.8
203.03374	1.6
204.04182	0.2
212.05447	0.2
213.08980	0.2
215.03453	0.3
217.04980	3.6
218.02052	0.2
218.05771	1.4
219.02760	0.7
228.04179	4.6
229.04959	7.2
230.05302	0.4
231.02853	1.3
232.03531	0.2
239.92863	0.2
243.02715	0.3
243.06441	0.2
244.10130	0.2
245.02043	0.2
245.04436	4.0
246.01515	0.3
246.05241	3.7
247.02374	0.2
256.03632	0.5
257.00842	0.5
257.04437	5.0
257.14838	0.2
258.04800	0.3
260.03186	0.8
261.07422	0.7
271.05939	0.4
273.03943	3.8
274.04721	7.9
275.04926	0.3
284.03259	0.8
285.00665	0.4
285.03922	7.8
286.04257	0.5
287.01837	0.2
288.06296	0.5
289.03369	0.6
289.06375	0.2
299.05411	0.2
299.10083	0.2
299.20020	0.2
301.03491	1.4
302.00674	2.1
302.04172	23.9
303.04507	1.5
317.03171	5.7
317.06531	100.0
318.03397	0.4
318.06876	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	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.51987	0.2
55.01875	0.2
65.23228	0.2
66.01092	0.5
68.99805	0.5
69.03437	0.2
69.81618	0.7
77.35262	0.3
78.01073	0.4
81.03423	0.3
84.71876	0.2
92.02634	0.7
92.11590	0.2
93.07075	0.2
108.02134	0.3
109.02892	0.3
110.03670	3.1
112.90862	0.2
121.02855	0.3
124.01620	0.3
126.03136	0.4
136.01559	0.4
137.02339	5.7
137.03397	0.5
146.06030	0.8
150.03157	0.5
153.01840	2.5
154.02470	0.2
162.89604	0.2
165.01857	0.3
166.02716	0.3
186.03198	0.3
189.05516	0.3
193.01291	1.0
200.04703	2.7
201.05182	0.3
203.03445	0.4
204.04192	1.6
211.03882	0.3
215.03412	0.6
217.04984	0.9
218.05721	0.8
219.02713	0.2
228.04178	7.9
229.04942	4.2
231.02849	0.2
245.04453	3.7
246.05193	0.7
256.03683	1.3
257.04440	3.0
258.05112	0.2
272.82474	0.2
273.03897	1.9
274.04715	9.5
275.05139	0.7
285.03946	3.3
301.03427	28.5
302.04193	81.6
303.04550	5.2
317.06546	100.0
318.06876	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	317.115
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90020	2.4
70.06590	9.6
71.28558	4.1
78.95613	4.4
84.70612	2.4
94.41401	2.4
94.93027	49.5
112.89619	6.1
114.89345	16.2
130.05020	6.9
130.09814	2.7
137.05984	5.6
138.05450	2.9
138.06366	2.8
139.91467	7.2
144.10205	48.2
153.01900	2.5
175.11983	5.2
176.87567	3.8
188.89653	25.8
189.12320	4.9
204.87006	18.5
208.88673	23.2
234.86647	5.7
262.86041	100.0
263.86191	11.0
298.97717	3.8
312.09930	2.6
316.83447	4.0
316.94489	4.0
326.41843	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	317.115
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90020	2.4
70.06590	9.6
71.28558	4.1
78.95613	4.4
84.70612	2.4
94.41401	2.4
94.93027	49.5
112.89619	6.1
114.89345	16.2
130.05020	6.9
130.09814	2.7
137.05984	5.6
138.05450	2.9
138.06366	2.8
139.91467	7.2
144.10205	48.2
153.01900	2.5
175.11983	5.2
176.87567	3.8
188.89653	25.8
189.12320	4.9
204.87006	18.5
208.88673	23.2
234.86647	5.7
262.86041	100.0
263.86191	11.0
298.97717	3.8
312.09930	2.6
316.83447	4.0
316.94489	4.0
326.41843	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	317.1959
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	0.9
55.05513	1.8
57.03433	1.1
57.07084	0.7
61.02940	1.1
67.05514	3.6
69.03434	3.1
69.07073	2.1
71.05011	0.8
73.02944	0.9
77.26952	0.7
79.05505	6.0
80.02576	0.6
81.03420	1.4
81.07063	100.0
81.58754	0.7
82.07392	2.3
83.04971	1.3
85.02911	16.2
91.05489	3.0
93.07049	6.6
95.04985	1.3
95.08604	10.0
97.02891	3.1
101.48952	0.6
103.05473	1.0
105.07056	2.5
107.08629	2.1
109.02884	1.7
109.06568	0.8
109.10143	2.0
111.04449	1.7
117.06995	0.8
119.08592	2.4
121.06510	5.8
121.10152	1.9
122.06851	2.9
123.08081	0.6
127.03953	4.3
129.06966	0.7
131.08629	1.9
133.10143	0.9
135.08138	1.4
135.11685	2.2
137.13263	32.4
138.13585	1.5
139.74075	0.7
143.08588	1.0
145.04984	5.2
145.10124	0.8
147.11713	2.1
149.13243	1.5
151.07550	1.3
153.01860	1.9
154.02155	0.8
155.02315	1.1
157.10126	1.0
159.08156	1.1
159.11765	1.4
161.09633	1.7
161.13252	1.0
163.06047	5.3
163.07408	1.3
171.11726	0.8
173.13312	1.3
177.05504	1.2
178.05893	1.5
179.05981	1.5
180.06367	1.3
185.13110	0.7
191.14232	0.7
203.10762	0.8
203.14389	1.2
208.39545	0.8
228.96165	0.8
263.16510	2.0
273.20447	3.1
281.17523	2.3
299.19839	0.8
302.00830	1.4
302.04135	1.5
317.02972	2.3
317.06674	4.0
317.14685	1.7
317.20062	1.1
317.23065	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	317.2108
Annotation	rac 4-Hydroxy-9-cis-retinoic Acid
Peak:m/z	Relative Intensity
53.03938	9.4
55.05520	23.7
57.07078	4.9
59.57246	3.9
60.04533	4.0
67.05508	56.0
69.03419	11.3
69.07066	24.2
69.62553	7.7
69.62913	14.6
71.04984	14.4
79.05490	52.1
81.03418	5.6
81.07064	80.9
83.04977	11.3
83.08615	11.1
85.06513	4.5
86.00663	6.4
91.05492	55.3
93.06480	5.6
93.07048	92.7
94.07365	6.3
95.04971	22.7
95.08614	71.4
97.06516	29.0
97.10226	8.6
98.09705	4.6
102.18700	4.0
105.07038	100.0
107.04970	11.4
107.08602	75.9
108.98990	3.9
109.02946	4.7
109.06522	32.1
109.10168	47.7
117.07032	12.8
119.04980	5.2
119.08594	70.4
120.08936	5.0
121.06520	68.2
121.10154	70.9
122.06847	38.5
123.08063	45.9
123.11720	12.0
125.05994	8.2
125.09612	10.1
128.06161	6.4
129.07010	15.0
131.08585	36.5
132.01181	6.4
133.10141	50.7
135.08060	19.0
135.11722	21.7
136.07484	4.5
137.05981	6.6
137.09622	35.0
141.06976	4.4
142.07790	7.1
143.08562	16.1
145.10133	38.9
147.08044	13.0
147.11690	46.6
149.09619	43.2
149.13283	8.2
149.79182	4.2
151.11237	5.9
152.14313	8.0
153.14682	8.0
157.10155	24.9
159.04767	6.5
159.08029	7.6
159.11671	28.9
161.09625	22.1
161.13264	19.9
163.07533	5.8
163.11217	13.7
165.09096	6.9
165.12735	6.6
169.10139	11.5
171.11671	13.3
173.09613	11.2
173.13307	27.0
175.11201	19.1
175.14848	37.6
177.12807	5.9
183.11720	6.7
185.13263	25.4
187.14803	11.2
189.12764	9.3
189.16408	7.3
191.10707	5.9
197.13330	12.0
199.14836	22.8
202.08977	26.6
203.14326	7.7
211.14792	8.2
213.12685	10.5
213.16241	4.0
215.14371	7.6
217.15831	41.6
225.16475	7.2
229.15804	8.1
231.13852	4.7
239.14189	5.2
239.18002	6.9
243.21042	6.1
248.10023	4.3
253.19655	8.6
255.21037	8.2
265.52008	4.0
271.20569	24.2
272.20212	7.2
273.20413	58.4
281.19046	11.7
281.22641	29.6
299.20041	30.1
299.23358	8.5
302.00510	13.5
302.04062	8.1
317.02866	18.9
317.06097	9.1
317.14911	10.6
317.20901	32.9
317.23221	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01878	3.3
55.05508	14.8
57.07076	11.0
59.04998	3.9
60.04528	21.2
61.04856	3.5
67.05509	61.0
69.03419	3.6
69.07059	6.7
70.06600	14.5
71.08634	3.3
79.05494	11.6
81.07059	28.9
83.04996	1.8
85.00185	1.5
85.06570	1.8
85.10153	1.6
88.07630	29.1
91.05485	17.6
92.60493	1.5
93.07046	14.0
95.04978	24.2
95.08607	18.1
96.08961	2.2
97.06538	4.8
102.09179	13.6
105.07026	18.1
107.08598	31.3
109.06528	14.9
109.10164	75.6
117.07005	4.0
119.06142	1.5
119.08591	42.7
121.06521	5.1
121.10133	5.0
122.07278	1.9
123.08082	21.4
128.06250	2.3
131.08580	3.6
133.06506	3.4
133.10133	6.0
135.08034	7.9
137.09621	43.3
139.07523	1.6
143.08548	4.0
145.10126	5.6
147.08044	3.6
147.11693	3.3
149.09612	4.0
151.07542	34.4
153.05446	3.8
155.08540	1.9
156.09386	3.6
157.10028	1.9
159.08040	1.8
159.11742	4.0
161.09633	2.3
163.11188	3.3
165.09131	2.7
169.10129	2.2
171.11714	4.9
175.11218	2.0
177.09065	2.8
181.08612	2.7
183.11789	1.7
183.20767	1.9
189.12726	14.7
197.45705	1.7
199.11171	1.6
207.13806	11.4
211.11055	2.1
237.14708	1.9
243.13776	3.5
256.26382	44.0
261.14822	2.4
268.60760	1.6
281.19110	2.5
281.26697	2.4
299.20026	4.4
299.27780	3.2
300.29108	2.2
317.21133	33.0
317.28760	11.5
318.30014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01865	3.4
55.05514	13.9
56.95414	1.3
57.07075	9.3
57.70148	1.1
58.29195	1.1
58.82920	1.3
59.04992	3.8
59.11583	1.4
60.04514	6.1
60.07779	1.6
61.04824	1.5
63.76248	1.2
65.03935	2.6
67.05508	58.7
69.03404	3.7
69.07056	5.3
70.06602	9.5
70.34140	1.5
71.04974	3.6
71.08609	2.1
79.05491	13.1
81.07057	29.2
82.17699	1.6
82.22266	1.3
83.04979	4.4
85.06527	2.6
88.07618	16.0
91.05479	14.8
93.07037	19.9
95.04970	26.1
95.08610	22.5
97.06517	6.0
98.23367	3.6
102.09199	8.2
105.07027	14.1
107.04998	1.5
107.08590	38.9
109.06516	20.6
109.10156	100.0
110.10487	2.9
117.07004	3.6
119.08579	52.8
120.08884	1.8
121.06512	6.4
121.10136	6.1
122.07276	1.7
123.08073	30.0
123.11694	1.5
125.05985	3.2
129.07018	1.8
131.08533	6.8
133.06508	7.5
133.10153	8.7
135.08066	9.5
135.11723	2.4
137.06017	1.9
137.09619	72.5
138.09964	2.7
139.07515	2.4
143.08582	3.8
145.10115	6.8
147.08023	4.7
147.11684	5.1
149.09607	5.5
151.07544	61.9
152.07880	2.5
153.05426	5.1
156.09381	3.3
157.10115	3.1
159.07997	2.8
159.11655	3.8
161.09605	9.2
161.13341	2.2
163.11220	4.8
165.09135	5.2
167.07051	2.5
171.11700	4.1
173.09604	3.4
173.13245	5.4
174.10387	2.0
175.11154	3.0
177.09084	4.0
181.08618	6.9
181.10046	1.8
181.12234	3.2
182.10866	1.6
183.11707	2.6
187.11137	1.8
189.12752	29.6
191.10561	2.1
197.13315	2.0
197.55995	1.4
199.11198	2.5
201.12717	1.8
207.13799	23.6
215.14304	3.0
217.12196	1.9
219.13824	2.6
221.15334	2.1
230.24599	1.8
233.15405	2.0
237.14897	4.9
243.13744	9.6
243.41212	1.4
253.19508	1.7
256.26373	29.7
261.14926	3.9
263.25497	1.6
281.18976	2.1
299.20013	9.1
300.29037	2.0
317.21091	62.7
317.28687	2.1
318.21933	2.5
318.29996	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03941	2.6
55.01880	1.7
55.05511	13.7
57.07067	3.1
57.70226	1.1
65.03941	2.1
67.05509	31.6
69.03417	2.9
69.07072	14.2
71.04988	2.0
71.29182	2.2
79.05497	37.7
81.06589	2.1
81.07059	41.7
82.07389	2.4
83.04972	2.3
83.08615	7.3
85.06540	1.7
91.05485	23.4
93.07047	45.0
95.04980	13.5
95.08612	56.7
96.08964	2.1
97.06513	4.9
97.10160	3.5
101.78397	1.2
103.05440	1.7
103.81286	1.2
105.04512	1.9
105.07034	40.1
107.08597	64.2
108.08899	2.5
109.06514	12.3
109.10159	55.9
111.08086	3.9
115.05436	1.6
117.06993	4.9
119.06097	1.8
119.08584	36.1
121.02868	2.8
121.06515	12.3
121.10149	29.3
123.04417	4.9
123.08076	6.2
123.11691	5.9
124.01526	1.6
125.06004	6.4
125.09629	2.5
129.06987	4.2
130.07857	1.5
131.08578	12.5
132.09067	1.5
133.06531	2.3
133.10139	25.9
134.03633	1.4
135.08105	6.5
135.11708	18.7
137.02348	5.3
137.09616	8.6
137.13228	2.0
137.23506	1.4
138.09143	1.8
139.03859	1.5
142.07759	2.7
142.59007	1.2
143.08591	6.6
145.06450	1.6
145.10118	16.3
147.08035	4.2
147.11678	17.5
149.09584	3.7
149.13271	11.2
151.03795	1.7
151.07555	4.6
155.08574	2.2
157.10143	6.2
159.08049	2.2
159.11713	11.1
161.09615	6.1
161.13234	8.9
163.11176	2.2
163.14816	5.0
165.09146	1.7
167.03450	6.8
169.10167	1.8
171.11726	6.2
173.09680	1.4
173.13318	7.8
175.11214	3.7
175.14815	6.9
179.03455	3.5
183.11745	4.0
185.13231	5.3
187.07513	2.2
187.11159	3.0
187.14844	5.9
189.12772	3.8
189.16386	17.1
197.04533	1.5
197.13303	5.2
199.14806	3.0
201.12764	4.0
201.16461	3.2
203.14230	3.3
207.13751	3.2
211.14836	2.8
213.16399	2.6
215.07007	2.7
215.14374	2.8
219.13860	1.7
228.04095	1.5
229.19530	2.4
233.15242	1.7
243.06573	6.9
243.13776	2.0
243.21165	5.2
253.19528	6.8
257.18982	2.1
271.05948	3.5
271.20587	7.9
274.04697	9.4
281.19223	2.8
289.21640	2.8
299.20096	13.8
302.04178	7.9
317.06552	100.0
317.21042	44.8
318.06845	9.9
318.21332	5.2
318.24551	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	317.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01870	2.3
55.05514	15.6
57.07085	12.1
57.29623	1.3
59.05009	6.6
60.04268	1.7
60.04531	19.6
60.68529	1.3
60.84113	1.3
61.04851	2.3
61.58923	1.4
65.03937	1.6
67.05509	65.0
69.03429	4.7
69.07059	5.4
70.06596	11.3
70.59103	3.2
71.04971	2.3
71.08630	2.4
79.05501	12.8
81.03413	1.8
81.07061	33.1
85.06538	2.9
88.07635	18.0
91.05485	20.3
93.07050	20.5
95.04971	28.7
95.08041	2.3
95.08609	22.0
97.06528	6.4
102.09174	10.3
105.07046	19.0
107.08598	41.6
108.08881	1.4
109.06537	19.6
109.10162	100.0
110.10484	3.4
111.08067	2.3
117.07015	6.4
119.08585	58.2
120.08909	2.4
121.06490	5.5
121.10121	6.8
123.08067	22.5
125.06024	2.7
129.07045	2.0
131.08554	5.4
133.06482	2.7
133.10179	7.5
135.08086	11.2
135.11708	2.8
137.05949	2.3
137.09624	74.1
138.09915	1.9
142.07867	1.8
143.08606	4.3
145.10121	7.4
147.08040	6.0
147.11681	3.2
149.09602	3.6
150.27391	1.5
151.07552	51.4
151.64444	1.6
153.05461	5.3
156.09373	2.0
157.10098	3.2
159.08078	3.5
159.11693	3.4
161.09648	7.9
161.13335	3.1
163.07629	2.5
163.11200	4.5
165.09137	4.5
167.07063	2.9
167.08459	2.0
171.11691	4.1
173.09584	2.2
173.13243	4.9
175.11218	2.4
177.09087	4.1
177.12750	1.8
179.10739	1.6
181.08598	5.1
181.12267	3.5
183.11674	2.3
187.11235	1.6
189.12738	17.3
199.11249	1.8
201.12775	3.2
206.54541	1.5
207.13808	17.3
215.14317	2.9
217.12262	1.6
219.13802	2.4
221.15413	2.0
224.10522	1.5
225.12813	1.8
233.15396	1.4
237.14821	5.5
243.13828	7.4
256.26352	30.1
261.14853	5.3
281.19031	1.6
281.26724	2.9
299.19958	7.2
317.21103	60.9
317.28781	6.5
318.21729	3.6
318.30042	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2476
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
53.03950	3.5
55.01863	2.1
55.05515	16.9
56.38042	1.6
57.07087	2.0
62.84584	1.6
65.03933	2.5
67.05508	31.9
69.03433	3.5
69.07071	10.9
69.34457	8.1
71.05013	8.1
73.94302	1.5
79.05495	33.9
79.05920	3.3
79.36212	1.7
81.07062	80.7
82.07389	2.8
83.04984	6.4
83.08617	6.7
85.02901	4.1
85.06519	3.9
91.05479	29.0
93.00101	1.8
93.07051	54.8
94.07351	2.2
95.04966	4.6
95.08612	66.8
97.06532	48.2
97.09579	1.7
97.10167	7.9
105.07037	48.1
106.07346	2.5
107.04972	2.7
107.07865	2.4
107.08600	46.7
109.06519	45.0
109.10166	36.9
110.10478	2.2
111.11698	2.2
115.05453	3.6
117.07045	12.8
119.08585	34.1
121.06530	9.6
121.10146	41.6
123.08091	9.5
123.11718	12.9
125.09669	1.7
128.06236	3.1
129.07036	7.8
131.08566	30.0
133.06502	2.4
133.10135	29.9
133.11076	2.9
135.08075	3.6
135.11707	36.6
137.05946	2.8
137.09613	5.8
137.13185	2.4
141.06985	2.5
142.07805	5.0
143.08575	15.3
145.10136	31.0
147.08025	2.1
147.11703	28.3
149.09631	6.4
149.13275	13.4
151.11159	2.2
153.01830	2.4
155.08565	3.8
156.09309	2.0
157.10133	18.8
159.11711	35.2
161.09616	7.5
161.13271	21.7
162.13599	2.2
163.11224	8.8
163.14844	5.3
165.12747	4.7
169.10123	4.3
171.11714	17.8
173.13266	29.3
175.11223	6.6
175.14821	18.4
177.12828	6.2
178.07877	3.2
183.11673	8.3
185.13257	23.0
187.14821	12.6
189.12790	5.4
189.16391	5.5
191.14212	2.1
197.13321	6.4
198.13976	3.1
199.14818	15.0
201.16376	8.0
203.14369	5.3
211.14757	10.7
212.15428	2.0
213.16405	5.3
215.14301	3.7
215.17986	6.3
217.15875	2.9
225.16367	9.5
225.85834	1.7
229.15822	2.4
229.19450	2.3
237.16380	5.6
239.17905	3.3
241.19536	3.8
243.66046	1.9
251.18028	3.7
252.18782	4.3
253.19440	5.4
255.21100	29.2
256.21408	3.3
257.19339	2.3
266.20340	4.1
271.20599	2.1
271.24210	4.0
273.22122	5.6
281.22644	100.0
282.23026	9.1
287.19769	2.2
299.20251	5.1
299.23657	37.8
300.23828	3.3
317.02985	2.7
317.06567	2.5
317.21109	8.3
317.24725	32.7
318.25104	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	318.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
56.05033	0.5
57.75432	0.4
58.27164	0.4
65.33056	0.4
69.03465	0.4
69.07047	0.4
69.62189	0.8
69.62592	1.3
70.06590	1.4
72.08162	3.6
81.03413	0.6
84.04505	2.6
84.08173	2.4
85.08441	0.7
86.06072	1.1
86.09711	5.4
87.10049	0.4
88.03949	0.4
91.05487	3.7
93.07055	5.7
95.04984	1.1
102.05550	0.9
103.05478	3.5
105.04543	0.4
110.07153	1.4
115.08766	0.5
121.06514	100.0
122.06860	3.0
129.10265	1.1
130.04997	0.6
133.02895	0.7
138.05516	0.9
138.09149	24.8
139.09477	1.1
142.16959	0.4
145.03482	0.4
148.08003	0.4
153.01872	0.7
156.02682	0.5
157.13412	0.8
161.02364	0.8
163.03906	0.7
171.15021	0.5
183.11263	0.4
188.75494	0.4
189.01860	0.8
191.03404	0.8
201.08722	0.4
201.12282	0.9
207.02934	0.5
215.13866	0.4
217.01445	0.7
219.03035	0.4
231.13397	0.4
235.02359	0.8
245.00937	0.8
247.02461	0.6
273.00317	1.0
318.17572	0.9
319.00867	1.9
319.10156	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63689	1.4
53.00311	4.7
53.03949	2.5
53.79027	1.7
56.96606	1.6
57.03447	3.3
61.02928	6.7
63.88537	1.3
69.03435	10.5
69.85429	3.4
70.06595	100.0
71.04997	1.3
71.06916	2.2
73.02921	2.4
76.85522	1.4
79.05491	2.2
81.03428	5.5
84.04523	1.6
85.02908	60.7
87.04481	1.7
89.03913	2.0
91.03954	3.5
91.05495	3.0
93.07061	3.7
97.02894	12.6
98.22681	2.4
99.04494	1.8
103.05453	3.0
105.03416	1.4
105.07041	2.2
107.04948	3.4
109.02910	5.8
109.99169	2.9
110.06047	1.8
114.05621	1.7
116.07119	2.7
117.07030	2.5
121.06509	54.0
123.04424	16.9
124.07563	1.5
127.03920	13.6
128.00232	4.2
130.06560	8.5
132.04405	2.3
133.02823	4.7
133.06485	1.9
135.04414	1.5
136.07555	3.5
137.05986	2.1
138.05508	12.3
145.04984	22.6
145.06485	5.5
147.04430	2.0
154.04993	2.4
156.06613	6.3
157.07616	6.8
158.05991	7.8
159.07982	2.0
159.09203	3.3
161.02380	5.3
161.06030	11.1
163.03900	8.1
163.06065	5.2
175.08694	15.8
179.03462	2.6
185.07236	2.1
187.07556	11.3
189.01892	4.7
191.03418	6.0
201.09052	1.8
203.08206	6.1
205.08640	6.5
207.02951	5.8
217.01291	7.5
219.02933	5.3
221.00809	4.0
221.09219	25.4
222.09749	1.7
229.08684	2.1
235.02419	9.7
235.09718	2.4
237.09222	2.7
245.00842	6.5
247.02426	4.3
247.09692	3.4
255.10153	7.2
263.01828	2.2
273.00385	6.1
274.04004	2.6
283.09692	10.1
291.01440	3.5
300.13440	5.8
300.99738	2.7
301.10690	8.2
309.62668	1.9
318.14612	12.4
318.61133	1.6
319.00854	23.4
319.07974	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
57.03433	5.5
58.06597	4.8
61.02919	10.5
69.03431	15.7
69.24192	3.1
70.06595	83.1
70.67103	3.1
70.68842	8.4
75.27251	3.6
80.24143	3.2
81.03426	9.1
82.06554	3.5
85.02911	100.0
91.03947	4.7
91.05495	8.1
93.07050	8.2
97.02882	27.2
99.04437	5.4
103.05475	5.1
109.02892	9.2
113.08362	5.2
114.12814	6.3
115.34435	3.3
121.06499	87.3
127.03935	23.1
127.12513	4.4
130.06543	7.4
131.04961	4.9
137.06004	6.2
139.03905	7.6
140.04724	7.5
141.05040	5.0
145.04968	38.8
145.06425	5.7
151.03854	4.4
153.01834	4.0
156.07428	3.9
157.07620	11.5
158.06032	8.4
159.08061	4.1
163.06078	3.8
167.58961	4.0
171.04546	4.2
174.11249	27.9
175.08722	13.7
181.05028	4.0
182.05252	7.8
187.07469	16.7
194.05344	3.7
200.51329	3.5
205.08688	8.8
219.06409	3.7
221.09282	10.1
229.08609	5.4
245.04449	4.9
256.15338	6.2
273.04123	4.0
287.05533	8.0
300.13513	8.2
301.03528	20.5
301.06427	4.8
318.12231	6.9
318.18866	20.1
319.04599	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	318.1812
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
53.00306	1.6
68.05042	1.2
68.99783	1.5
69.03422	1.6
69.07065	2.3
71.28896	0.9
74.02438	1.4
79.05482	1.4
80.95377	0.6
81.03407	1.8
81.07072	0.8
86.06071	4.9
86.09707	100.0
87.10023	1.3
91.05466	0.9
95.04995	0.9
105.03426	0.9
109.02882	1.2
110.07127	0.7
111.00833	1.8
113.10791	0.9
115.05413	1.2
117.05775	0.8
117.07014	1.0
118.06536	8.7
121.06538	0.7
123.04410	1.1
123.91165	0.7
124.04813	0.9
127.03910	1.1
128.04997	0.8
130.04973	0.6
130.06529	7.9
132.07146	1.3
132.08084	12.0
132.08992	1.1
133.02864	1.2
133.08368	0.7
135.04433	0.7
137.02362	1.5
137.06050	0.8
138.06433	0.8
141.10237	4.9
142.06520	1.8
144.08099	12.7
146.06009	46.8
147.04474	0.8
147.06367	1.6
153.01823	8.8
159.09181	19.5
160.07562	1.9
161.02332	1.4
163.03970	1.8
165.01843	2.7
165.05504	1.5
166.05858	1.7
170.06004	5.5
174.05545	1.6
179.03470	2.2
183.02965	0.9
188.07065	72.2
189.01933	1.0
189.05577	1.2
189.07405	2.9
191.03355	1.8
205.09723	55.0
206.10074	1.8
207.02831	1.1
217.01349	1.1
217.04878	3.6
219.02907	1.9
221.00958	1.0
235.02408	1.9
245.00752	1.0
245.04433	4.7
246.01593	0.8
247.02193	2.1
263.01962	1.5
272.17596	1.9
273.00287	1.2
273.03992	2.8
273.15955	1.3
286.00629	0.8
290.04056	1.1
291.01511	1.1
300.17212	0.8
301.03348	1.1
301.15445	7.2
303.00961	7.2
303.04526	1.7
304.00943	0.9
318.03406	12.0
318.06927	2.6
318.14481	2.0
318.18021	10.8
319.00906	4.0
319.04440	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	318.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.6
68.05042	1.2
68.99783	1.5
69.03422	1.6
69.07065	2.3
71.28896	0.9
74.02438	1.4
79.05482	1.4
80.95377	0.6
81.03407	1.8
81.07072	0.8
86.06071	4.9
86.09707	100.0
87.10023	1.3
91.05466	0.9
95.04995	0.9
105.03426	0.9
109.02882	1.2
110.07127	0.7
111.00833	1.8
113.10791	0.9
115.05413	1.2
117.05775	0.8
117.07014	1.0
118.06536	8.7
121.06538	0.7
123.04410	1.1
123.91165	0.7
124.04813	0.9
127.03910	1.1
128.04997	0.8
130.04973	0.6
130.06529	7.9
132.07146	1.3
132.08084	12.0
132.08992	1.1
133.02864	1.2
133.08368	0.7
135.04433	0.7
137.02362	1.5
137.06050	0.8
138.06433	0.8
141.10237	4.9
142.06520	1.8
144.08099	12.7
146.06009	46.8
147.04474	0.8
147.06367	1.6
153.01823	8.8
159.09181	19.5
160.07562	1.9
161.02332	1.4
163.03970	1.8
165.01843	2.7
165.05504	1.5
166.05858	1.7
170.06004	5.5
174.05545	1.6
179.03470	2.2
183.02965	0.9
188.07065	72.2
189.01933	1.0
189.05577	1.2
189.07405	2.9
191.03355	1.8
205.09723	55.0
206.10074	1.8
207.02831	1.1
217.01349	1.1
217.04878	3.6
219.02907	1.9
221.00958	1.0
235.02408	1.9
245.00752	1.0
245.04433	4.7
246.01593	0.8
247.02193	2.1
263.01962	1.5
272.17596	1.9
273.00287	1.2
273.03992	2.8
273.15955	1.3
286.00629	0.8
290.04056	1.1
291.01511	1.1
300.17212	0.8
301.03348	1.1
301.15445	7.2
303.00961	7.2
303.04526	1.7
304.00943	0.9
318.03406	12.0
318.06927	2.6
318.14481	2.0
318.18021	10.8
319.00906	4.0
319.04440	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	318.1812
Annotation	H-Trp-Leu-OH
Peak:m/z	Relative Intensity
51.64934	0.9
53.03932	0.8
55.01855	0.8
68.99773	3.8
69.07059	2.1
71.28764	0.7
71.90479	0.7
74.02441	6.4
81.03401	1.5
81.07036	0.7
84.08119	0.6
86.09711	23.2
87.10073	0.9
91.05473	2.3
92.05822	0.9
92.98278	0.8
95.04960	0.8
105.07037	1.2
107.04947	1.1
109.02871	2.7
110.07185	0.9
111.00809	3.8
111.04459	1.2
112.07660	0.7
113.10768	1.4
115.05468	5.1
117.03429	0.8
117.05759	3.9
117.07015	3.1
118.06503	3.0
119.04968	1.0
123.04417	0.8
130.06534	26.9
130.08612	3.1
132.08096	54.5
133.02812	1.0
133.08438	2.5
135.04408	1.9
136.04707	1.5
136.07651	0.9
137.02350	4.8
137.04939	0.7
137.06000	1.5
137.09589	0.9
139.06516	0.9
141.10197	2.1
142.06520	9.4
143.03369	0.7
143.07281	1.1
144.08087	39.2
145.02928	1.1
145.06506	0.8
145.08415	1.3
146.06035	6.2
147.04422	2.1
148.04807	1.2
151.03909	1.7
153.01840	23.3
153.03076	1.5
154.02162	1.7
155.02272	1.7
156.02605	1.0
158.08377	1.4
159.09181	98.3
160.07590	6.2
160.09570	3.8
161.02296	1.2
163.03897	7.2
164.04266	6.4
165.01851	5.7
165.04384	5.4
166.02577	0.9
169.01326	2.9
170.06026	19.9
171.04401	0.7
171.06398	1.0
177.05563	0.8
179.03532	1.7
183.02882	1.9
188.07071	9.7
189.05487	2.3
193.01387	0.8
195.02925	1.4
199.04007	1.0
203.03409	1.3
205.09772	6.8
207.02899	1.5
217.01308	0.8
217.04935	5.5
219.02884	1.1
221.04425	0.8
227.03430	1.6
231.02898	0.8
235.02472	0.9
245.04442	8.8
247.02339	0.8
255.02745	0.9
255.14844	1.0
259.14389	1.0
272.17603	1.1
273.03928	8.2
273.15982	2.9
290.04120	1.7
301.03427	2.6
301.15463	42.7
302.15753	3.5
318.03635	2.3
318.06992	1.7
318.18304	4.2
319.04483	100.0
328.54160	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	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.00295	0.1
53.03943	0.1
55.01869	0.5
59.92496	0.1
65.03931	0.5
67.01868	0.5
68.99789	4.4
69.03436	0.4
70.54283	0.1
71.01353	0.1
73.60063	0.1
79.01843	0.5
79.05506	0.1
81.03414	0.8
83.01340	0.1
85.11061	0.1
91.05486	0.2
93.03403	0.5
95.01331	0.2
97.02903	0.7
103.05448	0.2
105.03394	0.2
105.07023	0.3
107.01311	0.3
107.04951	0.2
108.02070	0.1
109.02879	2.8
111.00802	4.7
111.04429	0.7
111.58901	0.1
115.05444	0.3
117.07005	0.1
119.04923	0.2
121.02858	0.5
121.06509	0.6
123.04409	0.3
125.02351	0.7
126.03153	0.5
127.03928	0.9
131.04924	0.2
133.02832	0.5
133.06496	0.4
135.04401	0.2
137.02335	4.2
138.02617	0.1
139.03886	0.8
142.58055	0.1
143.03374	0.4
143.04993	0.1
145.06479	0.1
147.00714	0.1
147.04398	0.9
149.02306	0.4
149.05983	0.2
150.82588	0.1
151.03920	0.3
153.01820	23.6
154.02145	0.7
155.04878	0.1
159.04366	0.2
161.02339	0.4
161.05980	0.8
163.03903	0.4
165.01828	6.7
166.02617	1.0
167.03333	0.1
171.03036	0.1
171.04417	0.8
173.06001	0.2
175.03876	0.6
177.02008	0.1
177.05472	0.9
179.03391	2.7
180.03639	0.1
181.01212	0.1
183.02901	2.1
183.04323	0.1
187.03922	0.1
188.04579	0.1
189.01877	0.3
189.05460	2.2
190.05734	0.1
191.03380	0.3
192.04118	0.2
193.01328	0.6
193.04971	0.2
194.02101	0.2
195.02870	1.3
199.03899	1.0
200.04523	0.1
201.05565	0.1
203.03384	1.6
204.04002	0.2
205.04883	0.1
207.02892	0.9
207.06531	0.1
208.03632	0.3
209.04433	0.2
211.02246	0.1
216.04160	0.3
217.04955	8.2
218.05280	0.4
219.02910	0.7
220.03607	0.1
221.04449	0.6
227.03381	0.8
229.04971	0.6
231.02870	0.5
232.03557	0.5
233.04425	0.3
234.05147	0.1
235.02449	0.5
235.05969	0.7
239.01855	0.3
243.02809	0.1
244.03648	0.7
245.04446	10.3
246.04839	0.5
247.02391	0.1
248.03175	0.1
249.03864	0.2
255.02925	1.3
256.03540	0.1
257.04398	0.2
259.02386	0.2
261.03915	0.2
262.04813	0.1
263.05469	1.1
264.05893	0.1
272.03125	0.3
273.03922	8.7
274.04410	0.4
277.03476	0.1
283.02325	0.4
290.04202	2.2
291.04797	0.4
301.03406	1.9
302.03821	0.2
319.04456	100.0
320.04791	6.7
343.54977	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	319.045
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.84029	0.2
52.19358	0.2
55.01876	0.3
65.03939	0.5
67.01852	0.6
68.99796	3.9
69.03419	0.7
69.30563	0.8
69.30972	0.5
79.01863	0.4
81.03391	0.4
91.05464	0.2
93.03394	0.4
97.02875	0.6
98.23351	0.6
103.05477	0.3
105.03397	0.2
105.07008	0.8
108.02088	0.3
109.02905	2.7
111.00809	4.8
111.04448	0.6
115.05493	0.3
121.02866	0.9
121.06523	0.7
123.04456	0.4
126.03132	0.3
127.03912	0.6
133.02818	0.4
133.06514	0.3
135.04416	0.4
137.02333	4.6
137.05937	0.4
139.03909	0.8
142.36948	0.2
143.03418	0.4
147.04387	0.4
149.02347	0.5
149.05986	3.6
151.03925	4.3
151.05054	0.6
153.01837	23.0
153.06993	0.6
154.02203	0.7
161.06021	0.9
165.01854	5.8
166.02655	1.1
171.04405	1.0
173.06067	0.4
175.03830	0.6
177.05492	5.1
178.05821	0.3
179.03404	3.4
181.06442	0.4
183.02914	2.3
188.10725	0.4
189.01888	0.3
189.05501	2.1
193.01320	0.6
195.02887	1.4
199.03923	1.0
203.03429	1.6
207.02896	0.8
208.03601	0.3
213.09123	0.3
217.04968	8.3
218.05313	0.5
219.02858	0.5
221.04495	0.8
227.03410	0.8
229.04979	0.4
231.02928	0.9
233.04616	0.2
235.02461	0.3
235.06042	0.7
241.08398	0.3
244.03673	0.6
245.04469	11.3
246.04895	0.5
249.03889	0.3
255.02985	1.4
263.05502	1.6
272.03061	0.4
273.03955	8.3
273.11188	0.7
274.04282	0.6
283.02557	0.3
290.04230	1.9
291.04849	0.4
301.03375	1.5
301.10858	0.3
319.04489	100.0
320.04834	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	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.00293	0.3
55.01876	0.4
55.61582	0.2
59.38978	0.2
65.03942	0.7
66.20907	0.2
67.01853	0.6
67.05503	0.3
68.99792	5.8
69.03417	0.7
69.07068	0.4
69.33203	0.8
76.85286	0.2
79.01864	0.3
79.05498	0.3
81.03423	1.0
81.07059	0.5
91.05473	0.5
93.03399	0.4
93.07036	0.4
95.04935	0.3
95.08617	0.4
97.02876	0.5
98.22614	0.4
105.03387	0.4
105.07028	0.7
107.01307	0.4
107.04895	0.2
107.08534	0.3
109.02886	3.0
111.00809	4.8
111.04441	0.8
115.05477	0.4
121.02866	0.8
121.06525	0.5
121.10149	0.2
123.04469	0.4
125.02361	0.7
126.03146	0.3
127.03929	1.0
131.04874	0.2
131.76704	0.2
133.02821	0.9
133.06451	0.4
135.04402	0.4
137.02342	4.9
139.03908	0.8
143.04877	0.2
147.04395	0.7
149.02380	0.5
149.05930	0.2
153.01830	26.6
153.05478	0.6
154.02184	0.8
161.02347	0.6
161.06029	1.0
163.03864	0.5
165.01849	7.2
166.02614	1.2
171.04411	0.8
175.03926	0.4
177.05461	0.6
179.03409	3.4
183.02895	2.5
183.04332	0.2
189.01878	0.3
189.05489	2.1
191.03387	0.5
193.01331	0.8
194.02162	0.2
195.02919	1.6
199.03882	1.4
203.03366	1.7
205.04884	0.4
207.02913	1.2
208.03658	0.3
209.04419	0.4
216.04089	0.3
217.04964	9.7
218.05260	0.5
219.02902	0.6
221.00851	0.2
221.04503	0.6
227.03314	1.1
229.04944	0.6
231.02921	0.7
232.03629	0.4
235.02444	0.7
235.05986	0.5
239.01852	0.5
244.03699	0.7
245.04456	9.8
246.04877	0.5
255.02867	1.5
259.02423	0.3
261.04111	0.2
263.05432	1.1
272.03049	0.4
273.03928	9.2
273.06912	0.5
274.04355	0.6
283.02405	0.5
290.04211	2.5
291.04886	0.4
301.03491	2.2
301.12051	0.3
301.21356	0.3
319.04477	100.0
320.04791	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	319.045
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01871	0.5
57.33199	0.2
63.59557	0.2
65.03947	0.6
67.01888	0.6
67.05514	0.4
68.99796	4.0
69.03434	0.7
69.07086	0.3
70.43050	0.6
73.13679	0.3
73.29862	0.2
75.59433	0.3
79.05478	0.3
81.03407	0.7
81.07038	0.4
82.69551	0.2
91.05491	0.6
92.71555	0.3
93.03385	0.3
93.07047	0.6
95.04958	0.4
95.08624	0.4
97.02897	0.5
105.07029	0.5
107.08601	0.5
109.02886	2.4
109.10162	0.5
111.00818	5.4
111.04453	1.0
114.79423	0.3
115.05455	0.4
119.08526	0.3
121.02906	0.6
121.06582	0.3
121.10156	0.4
123.04418	0.3
125.02348	0.8
126.03087	0.5
127.03930	0.8
131.08609	0.4
133.02814	0.4
133.10094	0.4
135.08070	0.3
135.11708	0.3
135.14983	0.3
137.02362	5.5
139.03920	0.8
143.03413	0.5
145.31036	0.3
147.04404	0.7
153.01840	26.4
153.05443	0.7
154.02142	0.6
161.06007	0.9
165.01843	7.0
166.02632	1.3
171.04459	0.8
175.03917	0.7
177.05495	0.7
179.03404	4.2
179.04861	0.4
183.02922	2.1
183.04346	0.5
189.01880	0.3
189.05499	2.4
191.03455	0.5
193.01385	0.9
195.02925	1.4
199.03941	1.2
203.03400	1.3
207.02971	0.7
217.04990	9.4
218.05234	0.7
219.02904	0.5
221.04543	0.7
227.03406	0.9
229.05026	0.5
231.02913	0.4
232.03674	0.5
235.02397	0.7
235.06062	0.6
239.01807	0.4
244.03683	0.7
245.04475	10.9
246.04794	0.6
255.02834	1.2
263.05591	1.2
272.03293	0.4
273.03937	9.4
283.02390	0.3
290.04245	3.0
291.04819	0.4
301.03482	2.5
319.04495	100.0
320.04779	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	319.0449
Annotation	Myricetin
Peak:m/z	Relative Intensity
52.30310	0.1
53.03955	0.1
55.01873	0.5
65.03653	0.1
65.03939	0.8
67.01859	0.6
67.05504	0.1
68.99794	4.6
69.03423	0.5
71.30501	0.2
72.32865	0.1
79.01847	0.5
79.05519	0.1
81.03423	0.9
84.08174	0.1
86.09711	0.2
89.03922	0.1
91.05499	0.3
93.03403	0.4
94.43122	0.1
95.01284	0.2
97.02890	0.6
103.05503	0.4
105.03396	0.3
105.07046	0.4
107.01288	0.3
107.04967	0.2
108.02094	0.2
109.02879	2.7
111.00808	5.3
111.04444	0.8
115.05453	0.5
117.06985	0.2
119.04960	0.2
121.02854	0.8
121.06519	0.8
123.04449	0.3
124.07626	0.2
125.02323	0.8
126.03116	0.5
127.03967	0.8
133.02844	0.6
133.06459	0.2
135.04413	0.3
137.02335	4.9
137.05972	0.3
139.03903	1.0
139.39662	0.1
143.03386	0.3
147.00771	0.1
147.04404	0.7
149.02338	0.4
149.05994	2.8
151.03917	3.5
151.04999	0.2
152.01120	0.2
152.06142	0.1
153.01831	24.9
153.05421	0.4
153.06827	0.2
154.02151	0.6
155.04956	0.2
159.04446	0.2
161.02328	0.2
161.05974	1.0
163.03897	0.2
165.01834	7.2
166.02632	1.2
167.03374	0.2
169.01324	0.4
171.04413	1.0
173.06007	0.2
175.03909	0.5
177.05472	4.2
179.03395	3.6
180.03824	0.1
181.01392	0.2
181.06458	0.4
183.02922	2.2
183.04462	0.3
187.04012	0.2
189.01863	0.3
189.05482	2.2
191.03375	0.3
193.01306	0.6
193.04999	0.3
194.02107	0.3
195.02919	1.5
199.03928	1.2
200.04582	0.2
201.05408	0.2
203.03410	2.0
204.03981	0.1
205.04971	0.2
207.02888	1.1
209.04272	0.2
216.04089	0.3
217.04968	9.2
218.05313	0.4
219.02954	0.7
221.04471	0.8
227.03416	1.0
229.04970	0.6
231.02946	0.7
232.03665	0.4
233.04500	0.3
235.02348	0.5
235.05948	0.7
239.01784	0.2
241.08649	0.2
243.02719	0.2
244.03648	0.6
245.04451	10.4
246.04810	0.6
249.03873	0.2
255.02902	1.4
259.02496	0.2
261.03928	0.2
263.05524	1.2
272.03159	0.5
273.03934	9.6
273.11133	0.3
274.04538	0.7
283.02341	0.4
290.04242	2.5
291.04828	0.4
301.03470	2.0
301.10800	0.2
302.03952	0.2
319.04474	100.0
320.04803	5.7
320.18546	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	319.0448
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.00316	0.3
53.03935	0.2
55.01853	0.3
55.22692	0.1
56.09935	0.2
58.46156	0.2
65.03935	0.7
65.04246	0.1
67.01854	0.5
67.05504	0.2
68.99444	0.3
68.99793	4.4
69.03426	0.5
70.54874	0.4
76.84950	0.2
79.01848	0.6
79.05495	0.4
81.03406	0.6
82.67503	0.1
86.09686	0.2
91.05464	0.4
93.03407	0.5
93.07037	0.2
95.01323	0.2
97.02887	0.5
102.67000	0.2
103.05482	0.4
105.07008	0.3
109.02879	2.8
111.00809	5.4
111.04434	0.6
115.05460	0.3
121.02867	0.6
121.06515	0.8
123.00880	0.2
123.04425	0.4
125.02322	0.6
126.03127	0.6
127.03907	0.9
131.76573	0.2
133.02826	0.5
133.06509	0.4
135.04393	0.4
136.07552	0.2
137.02347	4.9
139.00304	0.4
139.03905	0.6
143.03409	0.4
145.02824	0.2
147.04419	0.7
149.02341	0.5
149.05975	0.2
151.03908	0.3
153.01830	24.9
153.05432	0.5
154.02167	0.5
159.04396	0.2
161.02353	0.5
161.05959	1.0
163.03908	0.9
165.01837	6.6
166.02654	1.0
171.04436	0.7
173.05994	0.2
175.03902	0.7
177.01930	0.2
177.05513	1.0
179.03407	3.7
180.09386	0.2
183.02890	2.2
187.03850	0.2
188.04735	0.2
188.07036	0.5
189.01862	0.7
189.05484	2.4
189.07210	0.3
191.03416	0.7
193.01373	0.9
193.05060	0.3
194.02078	0.3
195.02910	1.3
199.03871	1.2
200.10658	0.2
201.05499	0.2
203.03375	1.6
204.04109	0.2
205.04929	0.3
207.02879	1.5
207.06618	0.2
214.08673	0.5
216.04091	0.2
217.01433	0.6
217.04965	9.1
218.05325	0.3
219.02924	1.0
221.04462	0.7
227.03442	1.1
228.10149	0.3
229.05003	0.7
231.02914	0.8
232.03682	0.4
233.04562	0.4
235.02408	1.0
235.06058	0.8
239.01785	0.3
244.03786	1.0
245.04468	10.9
245.68738	0.2
246.04814	0.7
247.02309	0.4
249.03940	0.3
255.02884	1.3
256.09677	1.3
261.03809	0.2
263.05487	1.3
272.03137	0.5
273.03931	9.6
274.04398	0.9
283.02399	0.4
284.09091	0.4
290.04245	2.3
291.01367	0.3
291.04846	0.5
301.03427	2.7
302.10141	1.1
319.04471	100.0
320.04807	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	319.045
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
52.65896	0.2
53.00298	0.7
55.01624	0.3
55.01856	1.2
55.05520	0.3
55.55887	0.2
56.69730	0.2
62.59817	0.2
65.03942	0.4
67.01889	1.2
67.05494	0.4
68.50448	0.3
68.99449	0.2
68.99790	5.7
69.03432	0.6
69.07061	0.5
69.32266	1.5
79.01861	0.4
79.05468	0.5
81.03412	1.4
81.07044	0.8
83.04963	0.4
86.09695	0.5
91.05457	0.6
93.03408	0.5
93.07046	0.6
95.01369	0.3
95.04973	0.5
95.08608	0.5
97.02899	1.4
100.11245	0.3
105.07035	0.9
107.01311	0.6
107.04927	0.5
109.02881	0.9
111.00808	3.2
111.04440	0.9
115.05458	0.5
117.07001	0.3
118.63508	0.2
119.08554	0.5
121.02853	0.7
121.06493	0.6
121.10216	0.3
123.04459	1.6
125.02354	2.6
126.03143	2.8
127.03912	1.8
131.08569	0.3
133.02858	0.7
133.10066	0.3
135.08052	0.4
137.02350	6.5
137.06012	0.3
138.90630	0.2
139.03906	1.3
145.10086	0.5
146.06026	0.8
147.04404	0.7
147.06320	0.7
149.02386	0.5
149.05974	0.4
151.03909	1.0
153.01831	27.1
154.02162	1.0
155.04883	0.4
161.02344	0.8
161.06010	0.7
163.03905	1.1
165.01842	14.3
166.02515	1.1
167.03400	0.7
171.03043	0.4
171.04424	0.9
173.05931	0.4
175.03918	0.9
175.11220	0.3
176.04655	0.4
177.05478	2.1
179.03403	11.7
180.03789	0.4
181.01300	0.3
183.02945	2.2
183.04347	0.5
187.03922	0.4
189.01845	1.0
189.05437	1.5
191.03410	0.7
192.04108	0.3
193.01341	0.9
193.04999	1.0
195.02890	6.9
199.03958	0.8
201.05432	0.3
203.03416	4.6
205.04869	0.4
207.02902	7.1
207.04868	0.4
209.04321	0.3
217.01309	0.8
217.04951	3.8
219.02896	0.8
221.00835	0.5
221.04489	1.9
223.02444	0.3
227.03426	1.8
229.05038	1.3
231.02927	1.4
232.03665	3.5
235.02444	1.8
236.02951	0.3
237.46753	0.3
245.00769	0.5
245.04472	12.4
246.04767	0.6
247.02342	0.6
249.03876	1.6
255.02888	2.1
259.02350	0.6
263.01892	0.3
263.05548	0.8
272.30222	0.3
273.03937	18.8
274.04276	1.1
283.02301	1.7
290.04257	4.5
291.04855	0.5
301.03497	4.5
301.06909	0.6
319.04480	100.0
320.04761	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	319.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.40754	0.2
65.03944	0.7
67.01868	0.6
67.05508	0.2
68.99442	0.4
68.99795	4.5
69.03428	0.4
69.11420	1.2
70.98984	0.2
79.01855	0.6
79.05467	0.2
81.03418	0.8
81.07047	0.3
91.05490	0.3
93.03407	0.5
97.02893	0.6
100.11253	0.2
103.05482	0.3
105.03381	0.3
105.07021	0.4
107.01309	0.2
107.08577	0.2
109.02881	3.2
111.00810	5.3
111.04451	0.8
115.05444	0.5
117.07040	0.2
119.04906	0.2
119.59081	0.2
121.02882	0.7
121.06506	0.5
123.04443	0.3
125.02362	0.9
126.03157	0.5
127.03931	0.8
130.27185	0.2
131.05013	0.2
133.02875	0.7
133.06468	0.5
135.04437	0.2
137.01326	0.4
137.02341	5.7
138.02760	0.2
139.03932	1.0
143.03409	0.3
147.00816	0.2
147.04395	0.9
149.02325	0.5
149.05980	0.3
151.03955	0.3
153.01831	28.9
153.05467	0.6
154.02162	1.0
155.04877	0.2
161.02292	0.6
161.05986	0.9
163.03935	0.3
165.01837	7.6
166.02647	1.2
169.01366	0.5
171.04404	1.0
173.06013	0.2
175.03934	0.7
177.05478	1.0
179.03400	3.4
181.01266	0.3
183.02925	2.0
187.03943	0.3
189.01851	0.3
189.05481	2.6
190.05789	0.2
193.01265	0.9
193.04944	0.2
194.02077	0.3
195.02904	1.3
199.03888	1.1
200.04736	0.2
203.03380	1.9
204.04097	0.3
205.04805	0.3
207.02882	0.7
208.03720	0.2
209.04422	0.3
216.04178	0.4
217.04968	9.5
218.05266	0.5
219.02911	0.7
221.04478	0.7
227.03357	1.0
229.04916	0.8
231.02913	0.6
232.03638	0.4
233.04518	0.3
235.02522	0.4
235.06050	0.7
239.01884	0.3
244.03613	0.9
245.04443	11.4
246.04866	0.5
249.04137	0.2
255.02861	1.3
262.04587	0.2
263.05585	1.3
272.03171	0.4
273.03937	9.4
274.04315	0.7
276.05014	0.2
283.02310	0.2
290.04166	2.8
291.04828	0.5
301.03503	2.2
302.03812	0.4
303.03912	1.0
304.04755	2.1
318.03198	0.5
319.04446	100.0
320.04782	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	319.0449
Annotation	Bitalgenin
Peak:m/z	Relative Intensity
52.99084	0.6
53.00300	1.7
53.03933	0.7
57.04162	0.5
62.74906	0.6
68.99776	2.0
69.03438	0.7
70.06578	0.8
70.32323	1.3
70.32639	0.7
71.04971	0.8
71.81811	0.8
72.08125	0.9
72.38496	0.6
77.03922	0.9
79.05498	1.6
80.03665	0.6
81.07055	0.8
83.04983	1.1
85.02894	1.7
91.05471	0.9
93.07068	0.8
95.04969	1.8
95.08594	0.7
97.02863	0.8
97.83791	0.5
105.03401	6.4
107.04951	1.1
113.02341	0.8
117.03410	0.7
118.04188	0.9
121.10142	0.8
123.04430	2.6
131.04962	0.9
133.02829	4.0
135.04510	0.9
137.02365	1.1
139.11186	1.1
145.02856	1.3
146.03575	1.1
147.04405	1.4
151.03920	4.5
153.01868	3.6
155.56137	0.6
157.02888	1.4
159.04439	0.9
161.02342	3.9
161.05989	2.6
162.03076	0.8
162.87094	0.5
163.03934	3.6
165.01848	2.3
169.01343	13.0
173.02353	1.4
174.03110	1.9
175.03865	1.0
177.05479	2.4
179.03394	2.6
179.06976	0.6
185.02315	1.6
186.03076	1.4
187.03902	1.5
189.01839	4.1
189.05482	2.5
190.02492	1.6
191.03386	2.4
193.01384	0.7
199.03947	0.9
201.01752	1.6
202.02646	7.2
203.03351	2.4
204.04173	1.1
205.04915	2.8
207.02925	3.3
213.01826	1.2
215.03384	6.9
217.01363	2.6
217.04984	6.2
218.02025	1.6
219.02896	3.0
221.00819	2.1
229.01405	1.2
229.04865	0.9
230.02090	12.1
230.04189	1.0
231.02907	3.4
232.03662	1.4
233.04498	4.4
235.02405	3.1
242.02098	1.6
243.02861	2.3
245.00735	2.3
245.04448	9.0
246.01459	0.9
247.02382	2.7
248.02870	0.6
255.02802	1.0
257.00839	0.8
258.01517	1.2
259.02383	3.3
260.03180	47.9
261.03839	8.0
263.01913	1.2
267.23831	0.6
273.00345	2.7
273.03702	3.1
275.01648	0.7
276.02585	1.0
283.10818	0.8
287.01849	1.1
289.03384	4.7
291.01346	1.1
300.99911	1.4
301.03403	2.3
301.11832	1.4
301.15625	0.8
304.01895	1.4
319.00989	7.9
319.04465	100.0
319.12485	1.9
320.04761	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	319.1025
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
57.03440	1.0
61.02925	1.4
63.40195	0.8
66.80648	0.8
69.03432	4.1
69.07061	1.8
70.06587	3.7
71.08659	1.1
71.34166	1.1
80.80125	0.8
81.03416	2.2
84.04508	9.8
85.02904	8.9
86.06084	1.1
86.09679	0.9
88.11270	13.4
88.69462	0.8
91.48856	0.7
97.02893	24.9
97.03515	1.3
109.02895	1.1
111.04465	4.4
114.05562	0.9
116.07081	5.7
125.02357	100.0
126.02685	2.6
127.03915	1.0
130.05003	6.9
139.03911	5.8
152.10660	1.4
153.01834	2.4
157.04967	99.5
158.05315	2.3
164.82942	0.8
170.11812	1.0
172.06015	1.0
173.02420	0.9
187.93512	1.0
198.03946	1.3
205.56345	0.8
216.05083	2.3
233.07553	1.3
254.13300	1.0
296.63300	0.8
301.13995	2.1
319.04187	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	319.1177
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03939	1.3
55.01858	1.2
65.03930	2.3
67.05493	3.3
68.99776	1.8
69.03422	1.3
71.30750	1.1
72.26798	0.6
79.05480	1.6
81.03402	0.7
89.03915	2.0
90.06986	0.7
91.05467	3.0
93.07042	1.9
95.04961	2.7
96.55547	0.7
103.05450	1.1
105.07028	1.4
107.04945	0.8
108.02079	3.1
109.02835	2.3
111.00810	1.3
111.04424	0.7
117.03378	4.0
117.69878	0.7
119.04942	1.0
121.06522	4.9
123.04404	1.1
125.05959	0.8
127.03902	1.5
133.02888	0.9
134.03590	1.6
135.04424	2.2
137.02344	1.8
137.05975	6.6
141.05449	2.7
146.06001	3.0
147.06339	2.0
149.05984	71.8
150.06317	2.6
151.03915	79.3
151.05026	8.6
151.07541	2.8
152.04269	2.6
152.06116	1.0
153.01825	8.0
153.05779	0.9
153.07001	6.9
161.05946	1.0
163.03931	1.7
165.01828	2.4
165.05499	1.0
170.07219	0.8
171.11688	0.7
177.05470	100.0
178.05785	3.8
178.77437	0.7
179.03430	1.6
181.06483	9.9
183.03082	0.8
191.08316	0.7
195.06387	0.9
195.08017	1.6
198.06743	2.1
203.03421	1.2
209.06128	3.8
211.07498	0.8
213.05502	1.3
213.09097	5.0
217.04932	2.6
226.06099	1.3
241.08583	6.5
245.04553	3.8
269.08142	1.9
273.03946	4.2
273.11215	15.4
283.09738	1.5
289.38019	0.7
301.03375	3.0
301.10663	8.9
319.04483	29.8
319.15979	1.1
320.04813	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	319.2268
Annotation	5-Hepe
Peak:m/z	Relative Intensity
50.79264	3.6
55.01837	3.6
55.05501	11.0
56.04997	3.6
57.07063	9.9
60.04512	10.1
67.05504	17.3
69.03403	3.4
69.07054	14.2
70.62399	9.5
71.08620	5.3
74.06067	3.6
79.05487	11.1
81.07066	22.3
83.04985	26.9
83.08629	6.6
88.07620	12.4
89.07931	3.3
90.11466	3.4
91.05470	6.1
93.07054	9.8
95.04958	12.6
95.08606	43.8
97.06534	4.7
99.65809	4.5
105.07027	12.1
107.08607	27.8
109.06539	20.1
109.10174	18.0
110.70768	3.1
110.75129	3.1
111.08067	3.9
119.08578	16.1
121.06519	5.2
121.10127	22.1
123.08095	20.7
123.11716	6.5
133.10129	13.3
135.08055	79.9
135.11679	14.3
137.05957	9.2
137.09630	7.0
145.10109	10.2
147.11691	10.4
149.09596	7.5
149.13242	4.1
156.18912	3.1
157.10121	7.8
159.11736	9.8
161.09656	7.7
161.13281	10.3
163.11179	8.5
163.14851	7.8
171.11661	6.0
173.13252	7.0
175.11203	13.2
175.14832	12.0
177.16397	12.6
185.13264	4.8
187.14853	6.2
189.12712	22.4
191.14291	3.6
199.14735	4.6
201.16396	9.3
203.14348	14.3
205.15874	30.8
217.12296	4.7
231.21085	7.1
241.19525	7.5
243.58601	3.1
255.20840	4.2
257.26694	4.3
259.20615	100.0
260.20895	6.1
270.27838	4.5
271.28220	13.6
273.22128	37.4
283.20541	4.1
301.21649	89.4
301.29086	4.0
302.22009	5.2
319.18893	4.8
319.22644	80.6
319.26797	6.4
319.30341	45.6
320.22955	4.6
331.16339	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	319.2269
Annotation	15-OxoETE
Peak:m/z	Relative Intensity
55.05497	6.8
56.05040	6.3
57.07063	9.5
59.05000	4.1
60.04508	7.9
67.05516	15.7
67.97009	2.8
69.07064	10.5
70.06596	2.9
70.42852	6.6
71.08636	6.2
74.06063	8.7
79.05488	9.7
81.07066	16.4
83.04985	15.4
83.08599	3.6
85.06538	7.3
87.26292	2.9
87.47665	2.7
88.07634	22.6
89.07958	6.1
89.41873	3.1
91.05475	4.7
93.07045	12.0
95.04970	9.7
95.08622	24.3
105.07014	11.7
107.08598	16.9
109.06529	15.6
109.10146	14.3
111.08098	4.4
119.08562	14.6
121.06474	4.7
121.10146	11.8
122.08164	3.5
123.08057	13.9
123.11713	6.8
125.59293	2.8
131.08562	4.4
133.10121	12.0
135.08058	48.4
135.11693	5.4
137.05983	4.6
137.09659	6.5
145.10164	6.4
147.11682	7.2
149.09615	7.2
157.10123	4.6
159.11687	4.4
161.09645	6.4
161.13222	4.5
163.11261	5.1
163.14844	4.5
165.12804	17.8
171.11717	5.5
173.13293	4.1
175.11159	8.7
175.14819	7.9
177.12813	3.6
177.16321	4.9
179.14192	2.8
185.13274	6.6
189.12770	13.1
191.14345	7.2
198.14928	4.3
199.14833	5.9
203.14296	7.8
205.15965	15.6
224.28000	2.8
241.19626	4.0
257.26877	6.8
259.20609	61.7
260.20956	3.0
265.29114	3.4
271.28232	19.3
273.22083	23.0
289.21820	4.4
301.21603	38.8
301.29202	4.4
302.21902	4.3
318.30087	5.7
319.22250	25.1
319.30328	100.0
320.25668	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	319.2269
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
55.05521	4.6
56.05045	6.0
57.07073	7.6
60.04533	100.0
61.04878	13.3
63.07625	2.6
67.05509	8.3
68.05848	3.3
69.07066	7.3
70.06581	7.1
71.30424	3.0
81.07064	9.8
83.04990	8.9
83.08611	3.1
88.07639	8.8
93.07050	7.5
95.04955	3.2
95.08627	16.8
105.07028	3.2
107.08586	7.7
109.10185	7.0
119.08565	5.8
121.10156	9.7
123.08071	4.8
131.08546	2.6
133.10115	4.2
135.08034	20.5
135.11661	2.6
145.10158	3.8
157.10159	2.8
173.13194	2.8
175.11200	4.9
189.12732	12.3
203.14296	8.1
205.16040	3.8
256.26300	3.3
257.26703	8.3
259.20590	10.6
271.28229	4.7
273.22150	29.1
273.69980	2.7
283.28235	13.2
301.21658	52.4
301.29202	14.1
302.21832	4.2
318.30026	7.4
319.22485	4.8
319.30396	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11008	4.3
52.79261	4.6
56.05047	10.6
60.04541	9.9
61.01149	6.2
69.03445	6.8
70.06606	7.4
71.08637	19.8
72.04519	6.6
72.08169	6.1
74.06087	5.0
74.23621	5.2
81.03411	9.0
84.04501	6.2
84.08167	11.2
85.02909	24.9
86.06070	15.6
86.09715	20.9
88.11273	100.0
97.02892	8.6
109.02891	80.8
109.25758	5.3
114.05546	39.3
115.38690	5.2
120.06603	4.8
120.33451	4.4
130.08635	7.1
141.05475	63.4
145.04961	10.4
152.09532	4.8
158.11775	6.8
173.12875	14.8
189.06726	4.8
191.03502	6.7
199.98895	5.8
201.01845	11.8
201.08705	52.2
203.03439	5.7
219.02869	9.2
221.00801	7.3
231.02972	6.8
247.02370	11.3
253.00664	5.0
257.00842	15.4
259.02261	8.9
275.01859	19.8
285.00415	10.2
302.13458	38.3
303.01404	68.5
321.02374	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	320.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77615	1.1
56.05051	8.1
58.06592	5.3
60.04524	5.9
68.05025	4.2
70.06598	13.5
71.27482	1.6
72.04533	8.2
74.06056	1.5
82.06581	1.7
84.08166	1.6
86.06072	25.9
98.06053	2.9
100.04002	1.2
100.07632	3.6
101.07136	2.0
102.05528	4.8
102.51827	1.6
103.51667	1.2
112.07617	1.5
114.05530	75.7
114.09159	3.4
116.03440	6.1
118.04984	3.1
127.08672	2.5
128.03406	2.0
128.07098	5.0
130.05011	1.9
137.42650	1.4
140.07088	4.1
141.06583	4.2
142.08627	10.4
144.06551	2.2
157.09715	11.0
158.08167	1.8
161.09224	3.3
168.06609	2.0
169.09763	2.5
173.09201	1.4
184.10829	4.4
186.07712	7.0
201.08708	100.0
202.09033	4.1
203.10338	1.4
212.10268	2.5
215.10338	1.4
219.09793	3.5
230.11427	2.9
245.11365	5.1
256.12982	6.4
264.85770	1.9
265.74197	1.3
265.86008	4.2
266.85672	5.2
274.14011	4.3
284.12338	2.7
301.64566	1.4
302.13480	73.0
316.71500	1.2
320.14554	13.2
320.97485	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	320.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05482	0.6
56.05038	9.5
58.06607	6.9
58.20717	0.6
60.04527	5.0
60.15715	0.6
60.34246	0.6
60.98668	0.5
65.65414	0.6
68.05044	4.9
69.33959	1.4
69.34365	3.4
70.02960	1.0
70.06601	14.2
72.04518	8.1
72.08160	1.4
74.02454	0.9
74.06078	4.6
82.02917	1.1
82.06593	1.4
84.04506	3.0
84.08147	1.8
85.02915	1.4
86.06073	26.4
86.09705	0.7
88.03967	1.2
88.07630	1.0
91.65891	0.6
97.07672	0.9
98.06063	3.8
100.03985	0.8
100.07645	3.9
101.07148	2.8
102.05551	4.8
110.06062	1.2
111.09209	0.7
112.07585	0.6
114.05537	74.5
114.09164	2.4
115.05841	1.2
116.03468	6.0
118.05010	1.8
124.07610	1.3
127.08661	0.8
128.03442	2.8
128.07082	7.2
129.10248	0.8
130.04987	2.1
140.07085	6.3
142.08670	7.2
143.08163	1.7
144.06543	2.1
145.06105	1.7
147.04501	0.8
153.01826	1.7
155.08188	2.6
156.06563	1.7
157.06087	0.7
157.09744	12.1
158.04485	0.8
158.08112	2.1
161.09238	4.0
168.06514	0.6
169.09726	2.1
172.05959	0.8
173.09210	2.3
175.10837	0.9
183.07591	0.7
184.06056	1.3
184.10826	3.7
186.07634	6.5
191.03429	0.9
201.08716	100.0
202.09074	2.4
203.10240	1.7
212.10371	4.1
213.73904	0.6
215.10352	1.4
216.33188	0.6
219.03351	0.7
219.09859	3.4
230.11375	3.5
231.03468	0.7
245.11305	3.1
247.02451	0.8
256.12918	4.7
274.14041	3.3
284.12476	2.8
302.13480	68.1
303.01398	3.3
303.13620	3.1
320.01288	0.7
320.14536	14.7
321.05798	1.6
321.11560	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	320.1856
Annotation	Coronatine
Peak:m/z	Relative Intensity
55.01874	4.2
55.05505	1.2
55.58921	0.7
56.05038	0.8
63.15945	0.6
65.03946	1.0
67.05498	2.9
69.03424	2.3
69.06732	1.0
69.07074	12.1
70.06570	0.6
70.51951	1.5
72.04482	0.9
74.02443	1.6
76.00643	0.7
79.05500	5.0
81.03419	1.7
81.07056	1.2
83.04992	2.3
84.08135	1.1
86.09708	100.0
87.10049	1.4
90.67681	0.7
91.05486	22.5
93.07064	3.0
95.04977	1.8
103.05486	1.8
105.03430	1.1
105.07033	25.8
106.07351	1.0
107.04974	2.6
107.08602	1.2
109.06489	1.3
114.05516	2.2
115.05444	2.4
117.07029	9.9
119.08578	21.2
120.08117	0.9
121.06467	3.8
121.10143	1.4
128.06224	12.7
128.07106	1.2
128.10730	3.8
129.07019	8.2
130.08614	0.7
131.08575	2.5
132.05751	0.9
132.09183	1.4
132.10199	24.1
133.06516	1.7
133.10098	4.6
135.11671	2.0
141.07056	0.8
143.08554	21.7
144.08971	0.9
145.06502	5.8
145.10115	5.6
146.06036	1.5
146.07262	0.8
147.08049	80.1
148.08408	2.3
153.07001	1.2
153.33488	0.6
155.05986	1.5
157.09766	0.7
157.10976	0.8
161.06026	0.9
161.09622	26.9
162.10025	1.0
163.11156	4.5
171.08058	11.2
182.75211	0.6
189.07370	1.0
189.09108	18.5
201.08681	2.0
202.08736	0.8
206.11809	1.7
207.10234	1.1
208.13275	1.0
215.14198	0.7
218.11760	2.2
256.16965	5.4
274.18015	37.8
275.18420	2.5
292.18997	1.0
302.13449	2.2
302.17538	5.3
320.04831	2.6
320.18558	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	320.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.6
55.05512	7.1
57.07075	8.3
58.02966	19.0
58.72694	1.2
66.08611	1.1
67.05513	14.0
69.03453	1.2
69.07076	21.5
71.04956	1.4
71.08638	14.1
74.06091	1.6
78.62506	1.2
79.05488	8.2
81.07064	15.6
83.08625	4.0
85.06549	4.7
91.05486	9.0
93.07049	16.6
95.04980	16.2
95.08616	24.6
97.06580	6.0
97.07071	1.1
97.10198	2.0
98.10499	1.2
99.08112	7.9
100.07616	8.2
105.07043	12.0
107.08598	14.0
108.08909	1.8
108.87743	1.2
109.06526	24.6
109.10158	9.3
113.08637	1.2
114.09201	6.3
117.07014	1.6
119.08611	6.6
119.16633	1.2
121.06533	4.6
121.10159	4.6
123.08090	2.2
128.10742	5.6
131.08612	6.0
133.10143	7.8
135.08067	5.2
135.11723	2.0
137.09624	3.9
142.12292	4.1
146.88106	1.3
147.11713	4.4
149.09647	2.6
149.13281	4.7
151.11230	1.5
152.10712	1.8
154.12256	1.6
155.08563	1.5
156.13840	1.9
159.11716	1.5
163.11198	2.3
163.14873	2.6
165.12767	100.0
166.13237	3.1
167.07880	1.6
168.13849	11.9
170.11655	2.1
173.13351	6.8
175.11246	6.6
179.14374	3.9
191.14304	13.2
197.13316	1.8
198.14897	12.8
201.12706	6.0
206.15410	6.6
222.18556	20.1
229.19569	2.8
252.19562	1.7
252.30569	1.4
253.19409	1.2
261.22089	1.7
264.19739	1.6
271.20645	6.0
289.21643	16.8
302.24826	6.5
320.25836	47.9
321.26126	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	321.0245
Annotation	Luteic acid
Peak:m/z	Relative Intensity
69.70093	2.1
70.06606	1.2
75.15016	0.8
91.05499	2.1
93.28012	0.8
103.05460	1.8
119.04957	1.7
123.04403	1.3
129.03430	0.9
133.08862	2.5
145.02824	2.8
145.98586	1.4
147.04451	3.4
148.11214	29.8
153.01889	1.8
157.02876	0.9
160.00212	1.3
163.03911	2.3
170.02167	1.1
173.02371	5.5
174.37239	1.0
175.03961	2.2
185.02367	1.6
187.03802	1.4
191.03435	2.5
195.02762	1.1
201.01823	13.3
203.03435	4.5
210.34258	0.9
213.01831	1.3
215.03455	0.9
219.02942	3.9
229.01320	9.1
231.02739	5.8
241.01329	2.1
247.02420	11.5
257.00815	20.5
258.01221	1.2
259.02438	7.5
270.13699	0.9
275.01883	21.1
276.02399	1.5
277.03534	7.2
285.00354	18.5
286.00729	1.0
303.01373	100.0
304.01746	6.3
321.02426	12.9
322.17880	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	321.024
Annotation	Luteic acid
Peak:m/z	Relative Intensity
59.92443	0.4
65.03941	0.5
67.01867	0.5
68.36878	0.4
68.99799	0.5
69.03421	0.5
69.15618	1.1
69.16045	2.3
72.51267	0.4
79.05458	0.6
81.03408	0.4
88.49022	0.4
89.03931	1.1
91.05471	2.0
103.05475	1.0
107.04969	0.6
111.04424	0.7
117.03347	0.9
119.04954	1.5
121.02826	0.6
127.03931	0.6
129.03354	1.5
130.57430	0.4
131.04892	0.6
133.02872	0.6
135.04451	0.5
139.03896	2.5
145.02835	2.7
145.06291	0.4
147.04422	5.1
147.08188	0.4
149.02315	3.4
149.05952	0.5
151.03870	1.1
153.00694	0.6
153.01842	8.5
157.02867	1.8
159.04526	0.5
163.03873	2.1
167.03410	0.8
173.02367	5.0
175.03905	4.1
177.05466	0.8
179.11237	0.4
183.00771	0.9
185.02345	1.6
187.03905	2.8
189.01839	0.6
191.03406	3.4
195.02852	1.1
201.01839	12.2
201.05695	0.5
202.02202	0.6
203.03380	6.1
204.03677	0.4
207.02875	0.5
213.01845	2.7
214.79323	0.5
215.03368	2.0
217.01343	0.8
219.03008	3.0
229.01337	11.1
229.04932	1.0
230.01703	0.7
231.02892	10.4
232.03177	0.5
241.01266	2.0
247.02368	10.2
247.06085	1.5
257.00833	21.7
258.01147	0.7
259.02383	13.7
260.02756	1.2
275.01874	17.4
275.05426	3.1
276.02246	1.1
277.03430	13.8
277.06564	0.4
278.03784	0.9
285.00302	15.9
286.00842	1.5
303.01355	100.0
304.01678	5.9
321.02405	12.2
321.05914	0.8
322.02618	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	321.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26906	7.4
70.84076	8.4
70.84406	12.0
82.53030	8.4
111.05553	23.3
123.05606	19.2
133.08890	8.6
141.06613	34.9
148.11238	100.0
154.51474	7.7
159.07649	20.4
321.06335	58.8
321.08945	19.0
321.11597	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0605
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
50.20138	0.7
50.39855	0.6
55.01876	0.9
60.86305	0.7
62.19474	0.6
62.30217	0.8
65.03944	5.2
67.01868	1.5
68.99791	4.3
69.03429	1.2
70.06572	1.9
70.09439	2.3
75.89016	0.8
76.02227	1.5
80.17602	0.8
81.03419	1.4
84.04446	0.9
91.05463	0.7
93.03398	2.1
95.50712	0.7
97.02885	2.0
98.23308	1.0
103.05428	0.8
105.03423	0.9
109.02869	3.1
111.00804	1.8
111.04444	10.7
115.05469	1.1
116.07087	3.8
117.07006	0.9
119.04967	0.9
121.02870	15.0
121.03883	1.0
123.04450	0.8
125.02340	0.8
125.09619	1.7
127.03937	3.5
131.04890	1.1
133.02800	0.7
136.07588	1.2
136.72049	0.8
139.03897	48.8
140.04257	1.5
140.59088	0.7
145.06435	3.7
147.04395	4.7
149.02342	64.7
150.03165	6.5
151.03947	3.5
153.01826	100.0
154.02122	3.3
155.04915	2.7
161.06111	0.8
163.03926	2.9
163.82051	0.7
165.01807	0.8
167.03407	14.0
173.06023	5.1
177.01843	2.3
177.05396	1.0
179.03464	1.5
183.04405	4.8
187.03857	0.9
191.03372	3.0
195.02901	20.9
200.55367	0.8
201.05470	10.7
205.05057	1.7
206.45782	0.7
207.71771	0.8
213.05719	0.9
219.02916	8.6
229.04939	20.4
230.05414	0.8
233.04242	0.7
247.06023	31.8
248.06398	1.6
257.04449	7.2
261.03912	1.0
268.13092	0.7
274.04791	2.0
275.05487	60.6
276.05878	2.8
285.00430	1.1
285.03766	0.8
303.01376	3.5
303.04990	14.8
321.02304	1.3
321.05969	7.6
321.09482	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	321.1333
Annotation	Cavoxin
Peak:m/z	Relative Intensity
55.01871	2.6
55.05515	3.2
67.05495	5.1
69.03433	2.3
69.07066	5.6
70.06594	3.5
71.04995	8.6
72.08159	2.0
74.17933	1.7
76.02223	6.8
77.86649	1.6
79.05505	2.8
81.03391	2.2
81.07051	5.8
83.90903	1.5
84.04504	3.4
84.08128	4.5
85.06540	2.1
90.05540	2.7
91.05486	12.9
93.07033	3.0
95.04972	2.5
95.08616	4.0
97.02895	6.6
97.06499	4.1
105.07030	4.1
107.04949	2.0
107.08601	4.6
109.10181	9.2
114.05523	1.9
115.05477	3.9
117.07022	2.5
118.06549	7.7
119.04964	18.4
121.10147	1.8
123.08077	6.3
123.11687	3.2
125.02364	7.5
125.09618	4.5
127.11201	5.4
129.07010	3.3
129.14233	1.8
130.05055	1.7
130.06535	12.3
130.08647	6.8
131.04939	3.8
131.08575	3.8
132.04369	1.8
132.08081	7.3
133.06468	1.8
133.10135	2.5
137.02356	15.5
139.03917	7.1
139.11171	1.8
141.07004	4.3
144.05696	2.1
144.08087	5.7
145.06471	5.3
146.06018	21.0
147.04405	59.2
151.09708	1.8
153.01845	11.5
157.06479	5.1
157.07640	2.6
158.06076	2.7
159.04437	3.7
159.08049	4.3
165.01855	22.8
169.06497	6.6
172.09604	2.1
173.05975	10.6
177.05527	5.3
179.03363	11.2
181.01317	100.0
183.02892	48.3
185.05992	7.3
186.12854	2.6
187.07584	15.8
188.07065	21.5
189.05505	4.2
191.03375	10.4
191.07034	10.4
193.04959	4.3
193.06509	3.0
195.02959	2.0
196.11224	2.5
197.06026	10.0
201.05435	4.5
203.07034	5.8
205.04941	15.9
205.08601	11.5
206.05832	2.4
207.06514	4.6
211.11122	2.9
213.05502	7.3
215.06960	15.0
217.05009	3.9
219.03044	2.4
219.06535	20.6
223.06114	2.5
224.08296	2.0
227.07118	1.8
231.06490	20.4
233.04388	3.5
233.08076	31.0
234.08591	1.7
235.06071	3.6
239.10721	3.7
242.09564	2.5
242.11784	5.2
243.06534	5.4
245.08122	2.1
247.06178	4.0
247.13306	3.0
249.07433	1.9
255.10075	2.1
257.11777	5.8
259.14465	21.0
261.11234	3.7
270.08911	4.0
271.56525	1.7
273.11215	3.1
275.12769	11.1
285.11227	21.1
291.12201	3.8
303.01260	2.4
303.08841	2.8
303.12265	52.9
304.12521	4.7
321.05023	6.3
321.13141	7.8
321.18842	8.4
322.36810	2.0
330.30856	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	321.2423
Annotation	Epivittadinal
Peak:m/z	Relative Intensity
53.03940	2.0
53.27348	1.2
55.01878	7.0
55.05516	13.6
57.07067	1.8
59.04990	1.5
60.21634	1.2
66.13538	1.2
67.05175	1.7
67.05508	16.2
69.03417	1.8
69.07066	16.6
69.22852	8.6
71.04979	1.3
71.08628	2.9
73.06515	1.4
79.05502	9.7
81.07062	26.7
83.04970	3.9
83.08624	3.7
90.51183	1.4
91.04964	1.2
91.05458	6.0
93.07041	18.4
95.04964	9.7
95.08604	19.7
97.06536	11.2
97.10185	1.9
98.23369	2.4
99.08134	2.3
99.26761	1.3
105.07005	9.7
107.08595	7.4
109.06519	71.2
109.10142	5.9
110.06905	1.3
111.08070	2.0
111.11709	1.9
117.06983	1.4
119.08585	7.9
121.06505	5.8
121.10170	7.2
123.08045	5.1
123.11706	2.2
131.08554	5.4
133.10123	4.3
135.08044	3.4
135.11659	2.7
137.09651	2.8
137.13300	2.1
139.11185	2.6
145.10138	4.5
147.11659	5.0
149.09608	3.2
149.13290	2.6
159.11671	1.8
161.13252	2.0
163.11186	5.3
165.12758	19.8
173.13277	5.2
175.11160	2.0
177.12785	1.7
187.14769	1.9
191.14365	2.8
197.13188	1.8
203.39987	1.4
221.15370	3.0
233.15314	2.7
247.16872	2.4
261.22040	2.8
265.18002	16.4
277.95386	1.4
289.21606	26.3
290.22018	2.0
303.23264	1.7
321.24234	100.0
322.24664	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	321.2426
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.02461	1.9
53.03937	3.9
55.05518	15.4
57.03452	3.6
57.07070	5.1
67.05510	42.6
67.05848	4.5
69.03435	6.0
69.07074	35.0
69.84009	4.5
69.84397	3.9
71.04993	7.4
74.56434	1.9
79.05500	20.7
81.07063	59.2
83.04967	2.5
83.08610	13.0
83.60809	2.0
85.06555	14.8
86.09711	2.4
91.05488	12.6
93.07053	47.0
94.07395	2.0
95.04989	6.7
95.08614	100.0
97.06526	4.9
97.10178	5.4
98.22640	2.5
99.08100	6.9
105.06393	2.8
105.07045	34.5
107.08605	69.6
109.06505	5.5
109.10165	80.9
111.08082	9.3
113.06036	2.6
113.09673	3.7
119.08594	28.0
121.06556	4.2
121.10158	46.4
122.10532	2.4
123.08073	5.1
123.11707	22.1
125.09666	10.3
127.11214	2.6
131.08580	5.0
132.46530	1.9
133.10144	25.1
135.08089	4.0
135.11717	28.8
137.09621	11.7
137.13266	5.0
139.11174	5.5
145.10138	8.4
147.08022	3.1
147.11700	28.8
148.11122	2.1
149.09683	3.5
149.13266	20.6
151.11177	4.4
153.09099	2.3
155.10651	3.8
159.11736	7.7
161.13263	22.8
162.13589	2.5
163.11234	3.1
163.14836	44.8
163.16217	2.7
165.09169	16.2
165.12749	3.1
167.10637	2.5
169.10217	2.9
171.11687	4.0
173.13240	4.0
175.11259	3.0
175.14862	8.8
177.16205	2.2
181.12267	3.5
183.10188	3.6
185.13269	2.6
185.32034	2.1
189.12805	3.5
189.16408	8.1
193.12276	6.9
201.16508	3.7
203.14398	2.3
203.17949	16.0
207.13861	5.5
217.16048	2.5
217.19514	27.2
221.18724	2.2
227.17958	6.8
235.87386	2.2
243.21071	3.9
245.19041	9.8
247.20596	5.8
263.20187	10.0
274.51657	2.2
285.22208	5.1
303.23093	14.0
321.16858	4.4
321.20749	3.7
321.24185	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2415
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
52.13523	5.2
53.77282	5.6
55.05520	36.0
57.03450	6.9
57.07076	9.8
67.05507	47.9
69.03441	8.8
69.07086	53.8
71.04996	25.9
79.05517	17.3
81.07061	70.3
82.10616	5.7
83.04980	7.3
83.08623	10.6
91.05502	19.5
93.07061	49.8
95.04975	21.3
95.08607	55.3
95.77321	5.9
96.86247	4.5
97.06574	9.8
97.10175	39.6
105.07029	38.8
107.08591	34.1
109.06547	13.3
109.10152	97.9
111.11711	12.8
119.08614	31.4
121.06517	5.2
121.10143	100.0
123.08113	7.5
123.11739	13.1
129.54774	4.8
131.08572	8.2
133.10167	14.9
135.08080	5.3
135.11700	27.3
137.09663	21.5
139.11176	21.9
145.10156	16.8
147.11717	19.3
149.09650	7.2
149.13287	7.0
153.12810	9.0
157.12247	6.5
159.11694	13.6
161.13264	11.4
163.11197	19.5
165.09103	24.9
165.12766	7.8
173.13335	12.0
181.12187	6.2
202.09766	5.6
215.17987	6.9
220.97986	5.0
301.56674	6.1
303.23196	69.0
321.24243	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	321.2426
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03944	4.2
54.16653	2.4
55.01872	3.6
55.05276	3.6
55.05516	50.6
57.07061	3.5
59.04990	4.5
67.05183	3.1
67.05508	36.1
69.03428	8.4
69.07071	60.7
69.66772	2.1
71.05000	12.3
74.88404	2.0
79.05496	22.1
81.03398	4.7
81.07059	77.5
83.04978	12.1
83.08619	14.6
85.06551	7.4
91.05480	17.0
93.07048	64.7
95.04971	73.6
95.08608	70.0
97.06531	7.5
97.10175	60.9
101.06020	2.7
105.07032	40.1
107.08600	60.8
109.06520	36.9
109.10159	41.4
111.08070	9.6
111.11723	12.6
117.07020	5.4
118.43332	2.0
119.08584	31.7
121.06486	5.8
121.10142	56.7
123.08055	9.4
123.11700	21.0
125.06064	3.1
125.09635	12.3
131.08571	10.0
133.09174	3.3
133.10127	21.5
135.08044	5.5
135.11713	30.2
137.09654	13.5
137.13237	6.3
139.11179	20.6
143.10651	13.6
145.02823	2.8
145.10115	13.6
147.08009	3.7
147.11684	37.1
148.12096	2.5
149.09622	5.5
149.13240	11.5
151.07547	3.8
151.11140	12.3
153.12756	7.3
156.17427	2.3
156.62865	2.3
157.10062	3.6
157.12274	8.2
159.11668	22.0
161.09595	3.5
161.13281	13.6
163.11203	13.1
163.14836	6.3
165.09081	7.3
165.12767	19.6
171.11754	3.4
173.13283	9.3
175.11269	3.3
175.14882	5.9
177.05533	2.7
177.12729	7.1
177.16318	4.0
179.14351	8.4
187.14822	6.7
189.11256	2.7
189.16377	3.5
191.14235	5.7
201.16521	3.8
203.17987	2.8
205.15906	3.6
215.17822	2.9
222.28772	2.1
228.79364	3.0
257.22623	4.7
265.75900	2.3
267.20892	3.7
275.23804	15.3
277.21539	2.8
281.18875	2.1
285.22153	7.1
303.01379	2.8
303.23175	66.3
304.23605	5.6
321.09543	2.8
321.16711	8.4
321.24237	100.0
322.24603	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	321.2424
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
50.11898	3.3
53.03944	3.6
55.01883	6.1
55.05517	29.5
57.07090	7.2
66.42105	3.0
67.05513	57.0
69.03444	11.0
69.07072	68.2
71.04994	5.9
71.29077	4.0
79.05511	23.1
80.29073	3.9
81.03430	10.9
81.07057	71.2
83.04964	5.6
83.08655	9.6
85.06537	7.2
91.05464	24.3
93.07049	60.4
94.01607	3.2
95.04975	45.2
95.08618	71.2
96.08997	3.6
96.21339	3.9
97.06538	87.0
97.07151	6.6
97.10172	23.3
99.08134	6.2
105.07034	38.8
107.08598	67.1
108.09010	3.3
109.06516	19.0
109.10159	100.0
110.10531	4.6
111.08087	16.0
115.07560	9.3
115.99944	3.5
117.07018	10.8
119.08588	37.5
121.06519	14.1
121.10151	40.7
123.08089	12.6
123.11712	16.9
124.73600	3.7
125.09654	9.3
131.08583	13.7
133.10135	25.5
135.08076	11.5
135.11671	33.0
137.09607	19.7
137.13239	4.3
139.11208	28.9
143.08566	4.7
143.10674	5.4
145.02890	6.7
145.10129	15.7
147.11681	28.9
148.40529	3.5
149.09631	9.8
149.13249	25.5
151.11188	8.8
153.12816	4.1
157.10138	5.5
157.12184	4.0
159.11723	37.2
161.09648	12.5
161.13278	14.9
163.11226	12.4
165.09142	9.8
165.12772	19.5
168.06598	8.1
173.13301	8.5
175.14883	15.9
177.12799	28.3
177.16455	5.6
185.13298	4.4
187.14876	9.7
189.16402	6.1
193.15953	4.9
195.43596	3.6
201.16383	7.3
203.18059	4.6
205.15929	9.2
215.14326	6.1
233.15329	4.0
243.21146	4.2
257.22775	6.5
267.21082	6.2
275.23593	8.1
285.22141	14.6
303.23044	39.6
321.16919	9.4
321.20770	6.7
321.24268	45.7
322.20316	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	322.1066
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
56.05032	1.8
57.98814	1.2
58.99585	23.6
70.06593	0.8
70.57348	1.3
73.01131	0.7
75.33498	0.7
76.02227	100.0
80.05001	1.1
83.25976	0.6
84.04502	38.9
86.99060	4.5
88.02202	3.7
90.05554	36.7
90.06130	1.0
92.95636	0.6
102.05544	1.3
114.03722	1.4
116.01676	29.7
117.02076	0.6
123.50650	0.6
130.05013	12.5
141.04793	1.3
142.03233	10.5
144.01135	22.7
147.74780	0.6
148.11221	3.9
158.02739	0.9
161.03812	1.8
170.02652	3.7
176.03760	34.8
177.03923	0.8
187.05363	3.1
193.06422	38.3
215.04846	4.0
216.03256	1.1
233.05902	18.5
233.08224	1.1
244.97583	0.6
259.07574	2.3
304.01859	1.7
305.08029	1.8
322.10638	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	322.1284
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03944	1.1
55.06876	0.9
57.03438	3.3
61.02928	4.3
69.03085	0.8
69.03432	11.0
69.51783	1.4
71.04990	0.9
73.02914	3.7
73.79599	0.5
76.02242	0.7
81.03413	2.7
85.02430	0.9
85.02907	12.8
87.04469	3.3
91.03922	0.8
97.02888	4.4
99.04459	1.7
101.02382	0.8
101.96683	0.5
103.03931	0.8
103.05467	0.5
103.67816	0.5
109.02869	1.5
112.29664	0.5
115.05449	4.3
117.05717	1.0
117.07019	1.6
118.06516	1.0
127.03905	2.0
130.06525	4.1
132.08087	9.1
132.08998	1.0
133.08925	0.9
142.06523	31.3
143.07327	9.3
144.08087	18.3
145.04958	0.7
145.08495	0.7
148.11215	15.7
155.06041	1.3
158.06033	5.8
159.06798	1.8
159.26753	0.5
160.07579	99.8
161.07964	4.4
172.07664	1.0
189.96283	0.5
202.08586	1.3
262.10693	0.6
264.35489	0.5
272.42920	0.5
322.12851	100.0
323.13232	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	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.7
55.05505	7.3
57.03440	7.4
57.25306	3.2
67.05500	14.2
69.03439	9.5
69.07086	19.8
70.24423	11.6
71.01366	5.0
71.05001	4.0
76.02232	10.1
79.05502	39.2
80.15622	3.9
81.07064	63.2
83.04994	5.4
84.04484	4.1
85.02915	10.7
86.09706	46.8
90.05552	4.2
91.05486	24.1
93.03443	4.1
93.07039	20.3
95.01339	13.6
95.04975	16.4
95.08623	10.8
97.02934	4.5
97.06540	25.1
105.07027	25.1
107.04974	9.4
107.08593	13.8
109.06532	33.5
109.10174	8.5
113.02383	4.7
116.01675	4.9
117.07032	11.3
118.85367	3.5
119.04948	9.8
119.08606	15.3
121.06527	10.0
121.10152	6.8
123.04430	4.9
123.11735	6.2
125.05973	6.3
131.08577	21.2
132.10223	10.0
133.10159	4.7
135.08037	5.9
137.05995	9.3
139.03897	9.9
141.01851	8.2
145.10158	15.1
147.04431	6.9
147.08058	13.4
148.11197	11.5
149.09622	18.4
155.07082	4.8
163.07564	7.8
163.11220	5.8
163.24608	3.5
165.09140	26.9
167.07101	4.7
171.63158	3.5
175.07626	5.0
181.08609	8.9
183.10298	5.4
191.07019	5.1
191.10683	10.8
193.08630	22.7
199.09714	16.7
201.03935	3.3
209.08177	10.5
211.09642	14.4
227.09201	10.3
237.07549	8.7
255.08640	100.0
256.09018	4.8
258.18661	4.4
263.07043	4.0
273.09900	5.4
276.19650	11.8
322.20288	5.4
323.18195	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	322.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.2
56.89946	0.1
63.13220	0.1
67.59279	0.1
70.87046	0.3
71.71832	0.2
73.93879	0.1
91.05483	0.4
103.05490	0.2
105.07029	2.4
110.94406	0.2
132.08066	0.4
133.08868	7.8
134.09186	0.2
146.09666	0.3
148.11206	100.0
148.97826	0.2
149.11562	3.9
189.48561	0.1
229.61945	0.2
266.27298	0.2
305.14844	0.3
322.17606	7.2
322.21429	0.4
323.17960	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	322.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.2
70.85130	0.2
79.05501	0.2
82.81979	0.1
84.29054	0.1
91.05503	0.5
99.78224	0.1
105.07042	2.6
106.39569	0.2
115.87520	0.1
121.84313	0.1
132.08084	0.4
133.08878	8.2
134.09236	0.2
145.02654	0.1
146.09682	0.2
148.11217	100.0
149.11559	3.5
194.11859	0.2
280.58221	0.1
322.17621	7.3
323.18103	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	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87120	1.2
55.05521	2.2
57.91527	1.3
62.06092	100.0
64.14454	1.4
64.52291	1.4
65.52815	1.4
67.05508	17.6
69.07076	4.4
69.20694	1.7
70.02914	1.3
71.30450	1.5
71.30970	2.3
74.10233	1.4
79.05497	11.5
79.83600	1.5
81.07051	19.6
89.93629	1.5
91.05489	5.4
93.07040	11.0
95.08607	12.3
101.98870	1.5
105.07043	2.7
107.08611	6.8
109.10159	4.1
117.06998	2.9
119.08612	1.7
121.10174	6.1
123.11731	2.4
133.10176	2.5
135.11697	4.5
145.10092	2.4
147.11697	2.4
149.13197	2.0
159.11743	1.8
163.14827	2.9
173.13274	1.8
177.16325	1.9
254.35944	1.4
261.22125	5.2
304.26343	2.3
322.27423	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
53.79145	1.2
54.73454	1.4
56.71027	1.5
57.03445	3.1
61.02933	5.7
69.03439	16.1
70.33194	3.8
71.04987	1.6
73.02918	2.9
81.03434	6.2
85.02914	25.1
97.02894	9.2
99.04492	3.2
109.02876	1.7
127.03948	4.7
143.01060	3.5
145.04991	1.7
161.02113	63.9
162.02405	1.7
162.45950	1.3
177.05527	1.6
185.04221	100.0
186.04585	1.9
194.51056	1.7
199.18956	1.4
203.05283	26.6
203.07019	2.0
323.07428	99.0
323.10944	6.2
324.07648	4.2
324.10953	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75609	3.7
52.38142	3.9
71.28098	7.3
79.84216	3.7
94.92997	10.4
108.88274	3.7
112.89598	5.8
113.45068	3.6
140.03226	3.7
143.06422	4.2
160.00624	3.9
161.99550	4.4
198.42470	3.9
202.89113	9.6
212.85092	5.1
230.92279	24.6
247.91293	7.7
248.89914	4.9
249.90997	7.7
322.96939	31.0
323.07407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.84005	0.5
65.03938	1.6
69.42820	0.9
69.43214	1.7
70.25584	0.5
74.69260	0.5
75.45327	0.5
79.05478	0.6
87.38025	0.5
91.05482	14.7
92.05841	0.6
98.23399	0.7
103.05479	1.6
105.03407	3.3
105.07024	4.9
106.07365	0.7
107.04955	12.8
115.05443	1.7
119.04941	31.3
120.05272	0.9
121.02866	1.7
121.44743	0.4
123.04436	1.8
131.04927	6.4
132.08084	0.6
133.02856	9.1
133.06487	11.3
133.08888	3.3
134.09216	2.0
135.04417	3.7
145.06526	1.2
147.04405	100.0
148.04794	2.8
148.11209	31.5
149.05978	2.8
149.11563	36.3
150.11798	0.6
159.04463	2.4
161.02350	5.6
161.05977	13.6
165.05518	1.0
171.04329	4.4
171.05629	0.6
173.06030	0.7
175.03973	0.7
177.05463	1.4
179.03401	2.1
187.03891	5.7
189.05455	20.9
190.05803	1.7
199.03914	6.7
205.05043	1.3
217.04961	29.3
218.05237	1.6
235.06059	0.6
244.56197	0.5
245.04330	0.6
263.05493	18.1
264.05771	0.8
265.19522	0.5
305.06543	1.1
323.18045	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	323.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
55.01632	1.0
55.01875	10.3
57.03444	1.5
61.02932	0.7
65.03944	1.8
67.92869	0.5
68.99799	1.4
71.01401	0.6
71.09377	0.8
79.05491	1.9
83.01335	1.1
91.05479	16.6
91.06012	1.2
93.24358	0.6
95.04967	1.8
99.72227	0.7
103.05442	4.2
105.03396	16.0
105.07033	14.1
107.04955	43.0
108.05282	1.8
115.05429	4.0
117.07038	2.0
119.04945	34.3
119.32000	0.7
120.05263	0.7
121.02892	5.0
121.03645	0.9
121.06490	1.8
123.04430	4.9
131.04926	26.4
132.05243	1.1
133.02855	37.4
133.06494	45.7
134.03169	1.1
134.06825	1.7
135.04420	9.8
143.04906	1.6
145.02846	1.1
145.06454	3.5
147.04408	100.0
148.04747	3.9
149.05977	10.2
155.06003	0.9
157.06506	0.9
159.04427	8.7
161.02351	23.5
161.05983	52.4
162.06334	1.7
163.03825	1.6
165.05457	1.3
171.04407	14.6
171.05612	3.6
173.05966	3.3
175.03902	2.2
177.05455	4.5
179.03397	8.6
185.05916	1.0
187.03911	21.8
187.07497	0.7
189.05470	77.1
190.05826	4.3
197.05977	0.9
199.03912	22.3
200.04283	1.1
201.05440	1.0
205.04936	5.5
213.05612	1.4
215.03348	1.6
215.07042	1.1
217.04962	97.6
218.05302	5.4
229.05005	0.9
231.06387	0.8
235.06062	3.5
245.04480	2.3
253.07104	1.4
263.05515	62.7
264.05811	2.7
297.22540	0.8
305.06586	1.5
334.00519	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	323.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
65.03947	1.2
91.05489	12.9
92.05804	0.5
92.53834	0.3
95.01318	0.9
95.04975	0.8
103.05440	0.7
105.03392	3.0
105.07035	3.0
107.04955	9.6
115.05455	0.8
119.04950	28.3
120.05289	0.7
121.02846	0.9
123.04448	1.4
131.04929	4.6
133.02850	7.2
133.06502	9.2
135.04402	2.4
145.06520	0.7
147.04414	100.0
148.04752	3.9
149.06001	2.8
159.04385	1.9
161.02342	5.1
161.05995	10.5
163.03984	0.4
165.05502	0.5
171.04369	3.2
171.05615	0.4
173.05981	0.7
175.03877	0.7
177.05498	0.7
179.03397	2.0
187.03934	4.5
189.05475	18.0
190.05841	0.8
199.03914	4.6
200.04359	0.4
205.05054	1.3
213.05429	0.4
215.03513	0.5
217.04967	23.8
218.05295	1.2
235.06012	0.6
241.05026	0.7
245.04535	0.4
253.07191	0.4
263.05521	16.5
264.05841	0.8
305.06454	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	323.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
57.03421	0.3
57.92729	0.3
65.03934	1.3
69.47755	1.6
75.44457	0.3
79.05467	0.6
89.03915	0.5
91.05482	14.8
92.05814	0.5
95.04965	0.3
98.23387	0.3
103.05469	1.1
105.03391	3.0
105.07037	3.1
107.04959	9.3
115.05460	1.0
117.03353	1.4
117.07047	0.7
119.04945	33.9
120.05279	0.9
121.02864	1.1
121.06471	0.6
123.04432	1.8
131.04932	4.8
133.01314	0.4
133.02849	7.5
133.03789	0.6
133.06491	9.0
135.04411	2.3
145.02856	2.7
145.06477	0.8
147.04407	100.0
148.04761	3.5
149.05962	3.1
159.04436	1.8
160.05235	0.3
161.02350	5.2
161.05980	10.7
165.05487	1.0
171.04350	3.5
171.05521	0.6
173.05952	0.5
175.03943	0.4
177.05476	5.3
179.03409	1.7
187.03902	5.1
189.05466	18.6
190.05742	0.7
191.03358	0.4
193.12488	0.3
199.02179	0.6
199.03909	5.4
200.04190	0.4
202.07851	0.3
203.08522	0.6
205.04990	1.4
215.03560	0.6
215.07095	0.4
217.04965	23.2
218.05331	1.1
231.08112	0.4
235.05945	0.7
245.04434	0.5
248.08382	1.0
253.07040	0.4
259.06235	0.3
263.05502	16.1
264.05847	0.8
291.10162	1.3
305.06372	0.6
323.08020	0.4
323.12701	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	323.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78115	1.5
57.03234	1.5
58.06617	2.2
60.05641	3.6
63.19893	1.5
70.06585	4.7
71.04980	1.8
72.08147	2.9
78.58473	1.6
94.66249	1.7
108.93641	1.7
115.86574	2.0
121.06489	2.0
123.04477	3.3
123.05558	25.6
123.25861	1.9
128.04955	2.1
130.06537	42.2
132.04510	3.2
133.08867	2.6
134.09267	2.3
135.05534	3.4
137.09505	1.6
139.03903	3.2
145.07573	3.6
146.06010	25.9
147.07875	1.7
148.03975	2.2
148.11227	40.7
149.11577	21.8
156.04449	12.3
157.07605	2.8
158.06023	100.0
159.06346	4.9
160.51013	1.7
162.05455	3.5
172.30095	1.8
173.07108	43.0
174.05508	13.9
175.11902	3.1
180.07686	9.2
199.04924	2.1
201.06636	3.4
202.05014	5.7
243.07654	3.9
248.51460	1.9
249.55011	1.7
251.03987	2.3
259.07205	20.0
261.08661	5.4
287.06308	2.9
323.06317	4.1
323.11917	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	323.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.05011	0.6
63.02380	0.7
66.12079	0.5
68.55586	0.5
71.28395	0.7
76.02232	1.1
83.06112	5.3
84.04498	2.5
85.06538	1.9
89.03915	6.7
91.05471	0.8
93.07008	0.7
95.04954	0.6
101.07133	1.2
106.04169	1.3
111.85352	0.4
112.47059	0.5
117.03384	24.8
121.06532	0.9
124.96375	0.4
129.06609	15.6
130.04974	1.1
134.03638	1.8
135.04413	1.6
144.17729	0.5
145.02852	58.8
145.08597	1.1
146.03197	2.0
147.04465	0.6
149.05988	8.9
153.01849	0.5
160.07565	0.5
161.07936	0.7
162.05412	0.5
163.03880	0.7
168.28781	0.5
172.81451	0.5
177.05476	100.0
178.05830	3.1
323.11252	0.9
345.44565	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	323.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07936	0.1
60.05666	0.2
67.05511	0.3
69.03463	0.2
71.07390	0.2
79.05508	0.3
84.04508	0.2
84.87105	0.1
91.05504	0.6
97.02923	0.2
99.75727	0.1
103.05483	0.2
104.43609	0.1
105.07037	2.8
106.07415	0.3
107.04895	0.1
111.04596	0.1
123.04449	0.5
123.05576	0.1
132.08081	0.7
133.08881	8.9
134.09222	1.0
139.03915	0.8
146.09651	0.3
148.11215	100.0
149.11574	13.1
151.03958	0.2
152.07054	0.2
153.01817	0.3
161.02139	0.4
161.07951	0.3
181.04953	0.3
185.04195	0.5
219.65067	0.2
269.04324	0.4
287.05502	0.1
289.38919	0.1
323.07199	0.6
323.15860	6.5
324.15887	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	323.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32855	0.6
76.23195	0.2
84.04548	0.2
91.05457	0.9
92.05852	0.2
97.02943	0.2
103.05527	0.2
104.06312	0.2
105.07035	2.5
106.07394	0.3
130.05048	0.2
132.08122	0.7
133.08876	8.4
133.12274	0.2
134.09210	1.0
144.08032	0.2
145.02913	0.2
146.06033	0.2
146.09656	0.3
147.04395	0.5
147.10457	0.2
148.11212	100.0
149.11566	15.5
150.11990	0.3
153.01744	0.3
177.03279	0.2
191.03410	0.2
194.11804	0.2
209.38834	0.2
217.04964	0.2
225.55682	0.2
236.45250	0.2
270.59146	0.2
303.01056	0.2
305.01740	0.4
323.15778	5.9
324.16193	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61923	2.4
53.03941	6.8
55.01872	25.3
55.05514	67.3
55.48632	2.2
57.03445	12.4
57.07062	3.1
58.06295	2.5
59.04994	5.2
60.05683	2.4
62.54933	2.1
63.77231	2.2
65.03965	3.2
67.05506	60.2
69.03418	10.3
69.07077	32.7
71.04979	7.9
79.05067	4.3
79.05498	55.4
80.05840	3.2
81.03423	24.0
81.06587	5.1
81.07060	100.0
82.07415	4.2
83.04988	16.2
83.08621	23.7
84.43992	2.6
85.02895	2.5
85.06550	6.0
88.78182	2.2
90.51981	2.1
91.05483	25.9
92.03184	2.6
93.07055	38.4
95.04981	25.6
95.08609	32.6
97.06534	19.2
97.10173	43.0
98.23385	4.1
99.04473	2.2
99.08087	3.8
105.07029	28.0
107.04967	10.4
107.08597	35.0
109.06525	10.2
109.10171	20.7
111.04446	10.6
111.08087	10.7
117.07042	11.7
119.08591	25.4
121.06521	11.0
121.10172	14.4
123.04418	3.7
123.07201	2.3
123.08080	42.9
123.11755	3.4
125.06035	4.0
125.09635	37.7
128.64464	2.3
129.06984	8.3
131.08592	12.5
133.06491	6.8
133.10149	7.6
135.08083	14.0
135.11667	8.8
137.06038	2.7
137.09590	17.3
143.08582	7.9
145.10098	13.0
147.08067	14.7
147.11725	11.2
149.09630	10.3
151.11229	3.4
152.60890	2.2
153.09125	6.4
153.12740	9.2
157.10149	8.4
157.12291	2.8
159.11732	5.0
161.08223	2.9
161.09578	5.9
161.13222	2.9
163.11194	54.3
165.09123	14.9
165.12805	3.3
171.11682	3.6
173.09558	4.0
175.11211	7.1
181.12199	9.1
189.09456	2.2
189.11235	7.9
191.10672	8.2
193.12218	21.4
195.75073	2.3
203.12772	10.9
205.12202	2.6
223.13176	2.6
227.12767	7.5
241.14474	4.0
245.18925	4.8
255.17436	4.4
263.20032	4.9
273.18503	31.5
291.19547	82.6
292.19873	7.2
305.21027	13.0
323.18399	19.7
323.22244	9.2
324.25058	3.4
324.32480	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	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03939	4.4
55.01875	19.4
55.05514	22.1
57.03440	10.4
57.07070	3.4
60.46568	2.2
67.05512	34.6
69.03428	3.1
69.07073	14.2
71.05002	5.3
71.30380	2.4
79.05497	41.9
81.03442	2.7
81.07060	72.4
83.04976	36.6
83.08618	12.7
85.02907	7.3
85.06535	6.8
91.05486	22.7
93.07049	32.5
95.04970	18.0
95.08605	20.5
97.06548	10.4
97.10174	9.5
99.04463	4.0
105.07033	15.5
107.04948	8.3
107.08614	18.1
109.06542	15.5
109.10156	14.9
111.04440	41.4
111.08091	19.3
113.06004	14.9
117.07007	12.2
119.08591	31.1
121.06474	11.4
121.10155	11.8
123.08077	8.8
125.09623	7.2
129.07002	8.2
131.08556	12.9
135.08057	52.9
135.11681	13.4
143.08653	3.2
145.10115	21.8
147.08041	14.5
147.11691	4.3
149.09633	5.1
153.12778	19.9
157.10066	2.9
159.11699	6.8
161.09641	7.0
163.11189	25.4
165.09096	4.7
171.11646	2.7
173.09656	7.4
181.12230	26.2
185.13243	2.6
189.11276	4.3
191.10712	21.9
209.11729	6.6
223.13312	8.7
227.12749	27.6
228.13170	3.1
237.16405	3.2
249.14906	6.5
255.17371	5.5
273.18503	30.4
291.19553	100.0
292.19931	5.8
305.21216	4.0
323.25671	3.2
324.23593	6.1
324.28754	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	323.2583
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03942	3.0
55.05511	19.6
57.07091	6.4
59.05003	6.5
60.05653	6.1
65.18250	3.4
67.05509	28.7
69.03454	3.0
69.07076	33.9
69.67516	12.7
71.05005	6.5
79.05507	17.2
81.03433	5.3
81.07063	100.0
82.64151	2.8
83.04980	10.4
83.08620	6.0
85.06544	8.5
87.73464	2.5
91.05489	13.8
93.07050	36.8
95.04973	9.8
95.08053	4.3
95.08613	48.0
97.06541	5.0
97.10179	6.3
98.23380	4.4
99.08152	4.9
99.15507	3.1
105.07032	19.6
107.08592	26.1
109.06514	8.8
109.10175	32.2
111.08089	11.2
119.08594	12.1
121.10157	29.6
123.11727	42.4
125.09655	4.9
131.08626	4.0
133.10170	7.9
134.37836	3.3
135.11737	5.7
137.09607	4.0
137.13278	7.9
139.11209	8.6
144.78908	2.8
147.11693	11.9
147.12776	3.1
149.09575	5.5
149.13316	6.0
151.11275	3.1
161.13258	4.4
165.12785	6.4
167.10602	4.2
175.14888	3.9
185.13252	3.4
203.08635	4.5
219.07828	3.6
220.05136	3.5
225.26848	3.5
235.07404	6.2
248.08284	5.1
263.07065	6.5
280.07391	4.7
291.10391	3.6
305.24673	14.1
323.09195	25.9
323.12683	6.4
323.16086	11.9
323.25726	28.8
335.89227	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	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24473	3.3
55.05508	14.7
57.02526	3.9
57.03431	5.7
57.07070	4.3
57.13260	3.7
61.54757	3.6
63.40336	3.2
67.05507	24.9
67.05785	2.9
68.27078	3.4
69.03425	5.7
69.07068	57.5
69.65383	3.5
70.51892	3.4
71.04998	7.6
79.05495	22.1
81.07059	53.4
83.05002	5.9
83.08607	4.6
85.18172	4.2
91.05492	16.2
93.07043	49.7
95.04970	8.2
95.08608	67.5
97.06528	9.4
97.10178	6.6
98.22639	10.2
99.08090	6.5
104.56634	3.8
105.07035	16.1
107.08589	22.1
109.06548	5.3
109.10158	25.1
111.08134	4.7
111.11729	6.4
117.03423	6.3
119.08491	4.6
121.02892	9.0
121.10144	61.9
123.08051	6.7
123.11748	13.8
125.09612	7.4
131.08504	4.6
133.10062	6.2
135.11693	8.4
137.05995	5.2
137.09627	5.9
137.13234	5.0
139.11169	12.2
145.02846	14.2
149.09651	5.3
149.13281	6.8
163.14897	3.7
165.12791	6.0
167.10718	16.2
171.63580	3.6
177.05527	24.9
178.07750	7.0
179.08571	4.7
181.06465	9.4
184.50549	4.4
189.07001	3.9
196.23431	3.5
206.07356	7.7
207.08124	4.5
213.97928	4.0
220.05289	14.2
223.07527	3.7
224.08278	5.2
234.06702	8.3
235.07552	18.6
237.05452	8.6
249.05327	4.6
249.09122	6.1
252.07761	4.8
262.06296	6.9
263.07141	19.2
263.09827	4.4
265.05032	13.1
272.99988	4.3
277.08865	5.4
280.07224	17.0
287.42938	3.9
291.10068	5.9
293.04483	5.4
295.09756	9.6
305.24619	8.6
308.06931	10.5
308.10242	6.0
309.07324	6.3
323.09201	100.0
323.12674	7.6
323.25787	27.1
324.09451	13.1
333.18283	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	323.2582
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
50.84872	0.9
53.03951	2.4
55.05511	13.8
57.03428	1.7
57.07080	3.8
59.04993	1.7
65.03938	1.9
66.59699	0.8
67.05506	34.7
69.03439	3.9
69.07072	19.2
69.07458	1.2
71.05000	12.1
75.15221	0.9
79.05496	10.8
81.07057	100.0
82.07401	2.7
83.04977	2.7
83.08624	8.2
85.06551	2.4
87.04500	1.1
91.05479	5.7
93.07046	20.8
95.04968	5.6
95.08606	30.3
96.08975	1.0
97.06551	2.6
97.10162	5.6
99.04475	0.9
99.08103	1.9
100.91505	0.9
105.07030	9.2
107.08595	15.6
107.09281	1.1
109.06538	4.3
109.10159	58.1
110.10476	1.7
111.08077	1.7
111.11738	2.9
113.06025	1.0
114.27587	0.9
119.08555	7.2
121.10142	21.0
123.11716	51.9
124.12042	1.5
125.09673	1.9
127.11187	3.8
131.08574	1.3
133.10162	3.6
135.08014	0.9
135.11687	10.7
137.09695	1.5
137.13261	3.9
139.11169	4.8
141.12782	4.2
145.10164	3.1
147.11681	5.4
149.13263	4.8
151.11179	2.6
153.12823	2.3
159.11754	3.6
161.13281	2.3
163.11197	3.7
163.14783	1.4
165.12802	6.1
169.12268	2.8
173.13336	1.2
177.12773	1.7
181.12219	4.9
187.13353	2.3
189.16414	2.0
213.16440	1.1
228.70584	0.9
234.91534	0.9
235.07562	0.9
287.23608	2.1
305.24670	10.6
323.25616	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	323.2581
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03944	2.9
55.05511	16.8
55.27208	1.2
57.03443	4.7
57.07075	5.6
59.05015	2.8
62.61893	1.0
65.03940	1.1
66.12172	0.9
67.05134	1.6
67.05505	30.9
69.03429	4.2
69.07073	37.1
71.05003	6.7
71.05329	0.9
73.06561	1.4
79.05495	15.9
81.03431	1.8
81.07059	100.0
82.07423	1.6
83.05001	5.2
83.08617	8.0
85.06531	7.4
86.09712	1.2
87.04493	1.3
91.05487	12.6
93.07048	38.0
94.07395	1.1
95.04961	10.6
95.08609	60.3
96.08976	1.5
97.06521	5.8
97.10170	6.1
99.08096	3.2
105.07033	17.3
107.04958	1.8
107.08597	24.6
107.09295	1.8
109.06541	9.1
109.10161	40.3
109.10919	1.9
111.08088	10.3
111.11739	3.6
119.08587	10.6
121.06511	1.7
121.10144	37.2
122.10519	2.3
123.08067	4.9
123.11708	38.3
125.09628	5.2
127.07582	2.7
127.11213	1.7
131.08525	5.3
133.10172	5.4
135.11697	10.4
137.05957	1.5
137.09627	3.3
137.13258	7.8
139.11180	10.0
141.12766	1.8
145.10161	4.0
147.11693	11.4
149.09598	3.5
149.13258	8.4
151.11188	2.5
153.12759	2.0
157.10164	2.4
159.11697	4.4
161.13295	4.7
163.11203	1.9
163.14856	2.0
165.12738	5.6
167.10649	9.9
173.13356	2.2
175.14822	1.6
177.12836	1.7
177.16467	1.6
182.01122	1.1
185.13344	1.3
187.13345	1.2
199.14813	1.8
203.08508	2.2
213.16599	2.0
219.17458	1.0
231.08018	2.4
235.07718	1.0
248.08389	2.4
250.16780	1.1
269.22568	2.7
287.23721	4.4
291.10205	3.6
305.24728	12.6
306.25027	1.9
323.09399	1.2
323.13065	1.7
323.14221	1.6
323.18201	12.8
323.25809	23.9
324.25763	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	324.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91715	0.5
55.01860	0.8
57.03429	0.6
68.99363	4.3
69.03442	0.8
84.04504	1.5
85.02911	3.2
85.04020	0.6
89.03916	9.6
91.05491	0.6
91.89011	0.5
92.01720	0.5
94.48103	0.4
95.01318	2.1
95.04980	0.7
97.02899	0.8
103.05464	0.7
106.04178	0.6
108.08133	0.5
109.02875	0.7
111.05571	1.5
112.03936	0.7
113.02315	1.0
117.03385	28.7
118.03701	0.5
121.06483	1.6
121.21307	0.5
126.05552	0.9
130.04980	2.4
130.06529	1.7
134.03641	2.7
135.04453	2.5
139.05020	3.1
141.01833	0.9
145.02852	62.6
146.03203	1.3
146.05954	0.8
146.92279	0.5
147.66861	0.6
149.06003	10.9
149.07146	0.5
150.09171	0.7
154.02087	0.7
156.04433	0.9
163.03897	3.5
167.11838	1.4
174.05504	0.6
177.03339	2.7
177.05475	100.0
178.05827	4.0
195.11308	3.6
198.11124	0.6
246.07176	0.6
296.15887	0.5
307.08337	0.9
324.10532	31.1
324.15332	3.4
325.10977	1.0
325.44437	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	324.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55210	0.5
56.05015	0.5
63.02385	0.5
68.22050	0.4
68.96558	0.5
71.10333	0.8
78.01848	0.4
78.04711	0.6
81.07059	0.5
84.04507	1.1
85.02898	0.9
89.03924	9.6
91.05503	2.4
92.05811	1.0
93.07069	0.6
95.04978	0.7
100.07629	0.4
103.05447	0.7
106.04244	0.6
107.04967	0.7
107.07526	0.4
108.05217	0.6
109.07718	0.4
110.06053	2.1
117.03387	25.3
118.03710	1.1
118.12261	0.5
119.04929	2.4
120.05252	2.3
121.06535	1.4
130.05017	1.3
130.06526	0.4
133.02858	1.4
133.06453	0.8
134.03651	2.1
134.06853	0.8
135.04413	2.0
141.01912	0.6
145.02855	54.3
146.03198	1.8
147.04407	8.0
148.04759	8.8
149.05998	9.4
149.07135	0.3
150.06288	0.5
161.05914	0.7
162.06299	0.9
163.03918	1.8
176.03482	0.6
177.05478	100.0
178.05775	3.5
180.13853	1.9
188.04198	0.6
189.05466	0.9
189.65669	0.6
190.05815	2.1
191.70587	0.5
193.08406	0.7
200.04201	0.7
217.04922	0.8
218.05299	2.0
263.05478	0.5
264.05859	2.1
307.08047	0.8
307.20023	1.0
322.14322	0.6
325.08997	0.6
325.16370	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	324.1078
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
53.90322	0.2
56.42176	0.2
57.03424	0.2
61.02914	0.3
69.03443	0.9
69.49272	0.4
69.49679	0.5
69.63232	0.2
79.05470	0.2
81.03422	0.3
82.79197	0.2
85.02911	2.1
85.19637	0.2
97.02895	0.6
106.06538	0.6
109.02860	0.2
116.04975	2.1
127.03905	0.2
134.06012	0.4
144.04449	0.3
145.05237	1.5
162.05508	100.0
163.05875	3.2
189.26794	0.2
310.85782	0.2
324.10641	0.6
324.73096	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	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01866	0.9
55.05511	2.0
56.05029	0.7
57.03440	0.3
63.86596	0.3
65.03958	0.4
66.78067	0.3
67.05508	4.0
68.17421	0.4
69.07073	10.4
69.61411	1.6
71.86636	0.4
72.52231	0.3
79.05496	4.1
81.07058	7.6
82.95507	0.3
83.04984	3.1
83.76782	0.3
84.04504	0.5
86.09708	100.0
87.10043	1.9
91.05486	9.0
93.07047	11.6
93.07634	0.6
94.07377	0.4
95.04979	3.1
95.08604	2.4
97.06521	0.7
102.46909	0.4
103.05493	0.6
105.07037	14.3
106.07362	0.4
107.04980	0.7
107.08611	3.4
109.06517	8.7
109.10162	1.5
111.08086	3.1
117.07000	0.4
119.08583	4.0
121.10152	1.1
123.08051	1.6
123.11697	0.6
128.10718	4.4
129.07001	0.9
129.46086	0.4
131.08572	3.8
132.10210	27.4
133.06487	0.8
133.10132	15.6
134.10481	0.8
135.08096	0.5
137.05980	0.5
145.10161	0.4
147.11681	11.8
149.09595	2.2
149.13258	0.6
151.07588	2.3
151.11185	39.3
152.11537	1.5
156.10257	0.7
157.10127	0.9
165.12820	1.8
167.14398	0.8
175.11176	3.7
193.12288	4.1
210.14993	1.1
222.14906	0.9
260.20071	5.6
261.20419	0.5
278.21164	23.4
279.21515	1.7
306.20642	4.9
324.21725	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	325.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09501	1.0
69.50166	3.1
72.08162	2.6
78.95625	2.9
89.12138	0.8
94.93018	52.0
96.92819	2.4
98.23233	1.6
109.91708	2.3
114.68331	0.7
122.92472	1.8
134.92397	1.0
136.94032	4.9
137.06955	1.0
141.83603	0.7
148.88081	10.3
150.91954	8.9
152.93520	2.5
158.99886	0.9
160.94022	5.3
174.89626	3.6
176.93530	29.9
177.00949	9.9
188.89626	8.5
190.89346	1.6
196.04854	0.9
196.87949	22.9
197.10114	2.1
200.91191	2.8
202.89131	2.1
204.87012	4.5
211.03403	4.8
211.23067	0.7
212.81169	0.9
212.84352	24.0
212.85025	22.8
213.07504	4.4
213.84599	0.7
218.88589	3.7
219.88957	0.8
226.89439	1.2
234.83463	1.4
235.04378	2.6
235.05658	6.4
236.02817	5.4
244.90175	24.6
245.90363	1.0
252.84418	0.9
253.05499	100.0
254.05750	5.9
265.00732	32.6
266.00946	0.9
267.00381	1.0
270.83640	8.8
283.01810	5.3
288.89188	2.2
298.82840	2.3
306.90341	6.1
306.93628	1.4
307.02893	23.5
308.03067	2.2
324.21155	1.3
324.80722	8.1
324.91327	5.0
324.97174	0.9
325.03979	5.0
325.21469	0.8
342.81711	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53704	0.5
53.03948	0.6
53.82527	0.5
55.01884	2.7
57.03426	1.4
59.62699	0.5
67.05491	0.9
68.99786	1.4
69.03425	1.7
69.03782	1.1
69.04188	3.6
71.04995	0.8
79.05492	1.2
81.03412	3.2
81.07053	0.7
85.02889	1.1
87.04464	0.6
89.03941	1.0
91.05454	1.5
93.03410	0.8
93.07065	0.8
95.04978	1.3
99.04464	0.9
99.82444	0.5
105.03384	0.7
107.04953	1.0
107.08584	1.4
109.02904	0.8
115.05499	0.6
115.45687	0.7
117.03377	1.4
119.04980	0.9
121.02850	2.3
121.06514	0.7
123.04461	0.6
125.05981	1.6
127.03925	0.6
127.07539	1.2
131.04913	0.8
133.02892	2.7
135.04428	5.8
135.08104	0.7
137.02382	1.3
137.05997	3.2
139.03862	0.9
145.02832	1.4
145.06468	0.9
147.04390	1.1
149.05984	1.9
149.88846	0.6
151.03839	0.8
152.06369	0.6
153.01839	21.8
153.05421	1.5
154.02199	0.5
155.04901	0.6
161.06017	1.0
163.03911	15.3
163.07558	1.5
164.04228	0.6
165.01857	0.9
167.03410	0.8
175.03874	0.8
176.04691	0.7
177.05522	1.3
178.02608	0.7
179.03441	6.6
180.04091	1.4
181.04976	1.0
183.04317	0.7
186.03107	1.2
187.03963	0.7
189.05464	0.9
191.03394	3.0
191.07043	3.1
192.04153	3.8
193.04976	8.8
194.07295	0.9
195.02875	0.7
201.05499	5.8
203.03525	0.8
203.07022	1.1
204.04161	4.3
205.04950	4.8
205.06528	1.4
207.02907	6.6
207.06439	2.2
208.01686	1.2
208.03674	20.7
209.04250	1.2
217.04996	1.0
218.05708	1.6
219.02975	8.2
219.06508	14.7
220.03688	8.2
221.04395	6.7
222.05215	1.8
222.07022	1.2
223.06017	8.1
227.07062	0.6
229.04926	6.2
231.06612	0.8
233.06017	1.0
235.06020	40.6
236.06454	1.9
247.05984	10.8
249.05452	0.8
250.06229	1.9
261.07559	1.5
265.06656	0.8
265.08920	1.3
277.04935	0.7
278.05853	0.8
279.08636	47.2
280.08841	2.4
292.07401	1.2
293.03638	0.6
293.07788	2.5
307.09415	2.4
325.09155	100.0
325.19696	1.5
326.09570	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	325.1067
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
55.01870	3.0
60.28022	0.8
65.03945	1.7
67.05495	1.2
70.05956	0.9
71.04984	3.3
71.30153	1.0
79.05499	1.5
80.42605	0.9
81.07047	1.7
85.02884	1.1
85.55595	0.9
88.99021	1.3
89.03931	1.9
91.05480	9.3
91.38102	0.9
93.07043	1.1
94.04210	1.1
95.04956	1.5
95.08598	1.5
95.19924	0.9
96.05045	0.8
103.05463	1.2
105.03410	1.7
105.07047	2.1
107.04949	2.2
109.06473	1.5
109.10161	1.1
113.56689	1.0
115.05461	4.2
115.14878	1.0
115.58317	1.0
117.03387	1.0
117.06999	2.4
119.04995	5.4
121.05228	0.9
121.06516	1.4
122.03663	2.6
123.04417	1.8
130.04147	2.8
131.04900	1.7
132.05725	1.1
132.09404	1.0
133.02859	4.6
134.03610	2.9
135.04411	2.6
137.02315	2.4
137.05978	24.4
141.03357	1.7
143.04962	3.1
144.05626	0.9
145.06502	5.5
147.04381	3.8
149.06001	7.5
150.06752	3.1
151.03905	4.6
151.05028	2.0
152.06242	1.4
158.03619	8.8
159.04401	1.3
160.05208	1.2
161.06006	2.0
162.03021	1.7
165.06998	6.9
165.09099	1.1
166.07761	3.2
168.05746	1.2
173.05988	10.3
175.03897	4.2
175.07585	1.3
176.06157	7.7
177.06978	15.0
178.07722	2.4
179.08542	1.2
185.02425	1.5
186.01443	1.6
186.03114	29.3
187.03600	1.5
189.05444	1.6
189.07068	3.1
190.07822	1.8
191.07039	1.1
191.08566	2.0
193.06555	5.3
194.07281	18.0
195.07849	2.1
200.04741	2.7
201.05449	39.4
202.05821	2.1
202.07837	1.2
203.06972	4.5
204.05711	5.7
205.06483	43.9
206.07106	5.2
207.06467	1.3
207.08119	2.4
208.05133	1.2
209.05928	1.1
209.09610	1.4
211.07552	3.3
217.06468	2.6
218.07295	1.9
219.04411	1.4
219.08022	5.3
221.06010	21.3
221.09489	2.0
222.06758	28.8
223.07425	3.4
224.04739	1.5
226.06293	2.0
227.07043	3.8
232.05199	1.8
233.05974	37.1
233.08257	2.0
234.06725	11.0
235.07545	1.8
236.04637	2.1
236.08368	3.1
237.05453	1.9
237.09091	24.0
238.06320	1.7
238.09515	1.5
239.06987	8.7
240.07710	1.2
242.05736	0.9
247.07513	9.7
248.08232	2.1
249.05461	19.9
249.09154	1.1
250.06258	39.0
251.06926	9.3
253.08597	2.6
254.05771	2.4
254.09348	2.1
260.04889	1.1
261.05478	6.6
262.06189	2.3
263.06979	3.5
264.07837	20.0
265.08609	49.1
266.09204	6.4
267.06555	11.1
268.07104	1.5
275.07028	3.3
277.04941	9.3
277.08173	1.7
278.05743	23.8
279.06500	3.9
279.10168	10.0
281.08072	3.3
282.08795	7.1
283.09659	1.3
292.07285	37.5
293.08072	62.9
294.08496	6.2
295.06058	11.1
297.11215	11.3
307.09644	82.0
308.10007	3.7
309.07611	3.4
310.08334	11.4
325.10693	100.0
326.10995	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66559	0.7
56.05024	3.5
70.37627	2.3
79.05519	1.2
84.04505	58.6
84.42237	0.7
85.04834	1.0
91.05482	2.3
93.07082	0.9
94.04171	1.9
102.05556	1.5
105.07017	3.8
109.06519	18.9
118.06550	13.5
121.06507	11.4
123.08121	1.7
126.53910	0.8
127.25605	0.8
130.05020	9.0
133.06491	37.3
134.06786	1.5
135.06783	2.7
135.08032	3.3
135.63519	0.8
137.05975	95.2
138.06328	3.0
150.09146	79.7
151.07521	1.4
151.09523	2.0
161.05980	11.4
176.95454	0.8
179.07033	100.0
180.07422	4.2
195.49153	0.9
196.09700	46.1
197.09982	2.0
214.08586	1.2
216.10204	17.9
217.10503	1.1
262.10648	5.7
308.11328	8.4
319.93079	0.9
325.13867	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
54.18563	0.3
55.01871	2.4
57.03437	3.2
59.04446	0.2
61.02912	0.6
69.03431	15.3
69.07108	0.3
70.03718	0.4
70.43246	0.8
70.66355	0.2
71.01348	1.2
71.04992	5.2
73.02911	0.9
75.04478	0.3
81.03419	17.6
87.04499	0.4
91.05476	1.2
96.04506	0.7
98.97585	1.2
99.04451	6.7
99.72151	0.3
105.13707	0.3
116.04987	0.9
116.98627	0.6
117.05491	1.9
118.06551	5.7
120.08093	0.3
124.03954	0.6
131.04939	0.3
135.09096	0.3
137.05962	0.6
142.05016	2.1
145.07610	8.3
146.08006	0.4
147.05615	0.3
147.08075	0.5
147.09172	6.8
148.06313	0.5
151.07478	0.4
159.09071	0.3
161.10667	0.4
162.07887	1.2
163.03912	0.5
163.07498	0.4
163.08701	1.2
170.04521	0.5
172.06258	0.4
173.07121	13.4
174.05551	0.4
174.07492	0.4
175.08673	6.5
176.08974	0.3
178.03104	0.3
188.05452	1.7
190.07329	0.4
191.08151	100.0
191.29047	0.3
192.08510	3.1
201.05576	0.4
202.05014	1.1
203.08199	0.3
205.09782	0.8
212.61388	0.3
213.10152	0.5
215.11848	0.4
220.06114	0.4
222.06775	0.3
223.64902	0.3
231.11252	0.5
233.09213	1.1
259.10703	0.3
271.10669	0.6
289.11710	1.8
307.12869	28.8
308.13080	1.7
313.05972	0.6
325.13904	19.2
326.14212	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65617	0.3
53.03946	1.6
55.01874	2.3
57.03446	2.4
59.04999	0.5
61.02935	1.1
69.03432	16.4
69.18017	1.1
69.18431	0.9
71.01351	1.4
71.04987	5.3
73.02923	1.0
75.04506	0.3
75.64809	0.3
81.03419	18.2
81.07059	0.3
85.02911	0.4
85.69273	0.2
91.05495	1.2
96.04504	0.8
98.97610	0.6
99.04461	6.6
111.22664	0.2
116.04986	0.4
117.05463	1.5
117.06989	0.3
118.06540	6.1
118.07353	0.5
120.08104	0.3
124.03958	0.5
132.06688	0.3
133.02916	0.3
133.34134	0.3
137.06012	0.7
142.05032	2.1
142.05977	0.4
145.07602	7.2
145.08759	0.5
147.05493	0.3
147.09174	8.6
148.09511	0.4
159.09273	0.3
162.07864	1.4
163.03906	0.6
163.08682	1.3
163.17976	0.3
165.49168	0.3
170.04556	0.7
173.07100	13.6
174.07445	0.6
175.08667	6.7
185.07109	0.4
187.08678	0.3
188.05530	1.1
190.07422	0.4
191.08153	100.0
192.08524	3.9
202.04999	0.8
203.08110	0.4
205.09784	1.0
213.10291	0.4
215.11789	0.3
231.11249	0.7
233.09241	1.1
249.95110	0.3
271.10779	0.6
282.17157	0.3
289.11853	2.2
307.12863	33.0
308.13266	2.0
313.05637	0.5
325.13873	19.7
326.14188	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	325.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.9
59.04996	3.3
71.04999	3.3
71.08636	10.9
71.32569	3.6
79.05508	4.2
81.07056	29.6
85.02917	13.5
85.06554	6.0
99.08096	28.9
109.06532	23.8
117.09136	100.0
127.07568	53.8
163.03955	4.0
163.09712	8.3
178.49626	2.6
238.97003	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	325.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.1
57.03444	45.2
57.58785	7.1
69.03443	19.2
70.06601	21.4
71.04990	8.4
71.08654	8.3
71.28379	9.3
79.05505	14.2
81.02721	6.2
81.07071	33.8
85.02910	14.9
85.06571	7.7
86.16441	7.3
97.02911	15.4
99.04453	7.1
99.08125	20.0
109.06511	37.8
117.03401	15.5
117.09138	98.1
123.07029	6.9
127.07567	90.8
135.04448	23.5
145.02895	18.1
145.08603	8.5
163.03917	100.0
163.09724	12.1
163.72546	6.9
191.08182	10.4
273.63663	7.4
283.13470	17.1
301.14429	11.0
325.13898	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	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
65.78489	0.9
68.05032	1.5
68.61941	0.8
69.03419	1.9
69.07060	1.8
69.51181	0.8
69.79793	3.6
71.29343	0.7
73.23885	0.9
79.05477	2.7
80.05003	4.2
81.07041	2.6
81.88047	0.9
82.06582	2.1
84.04504	13.7
84.08141	1.6
85.02906	19.5
86.06078	7.7
87.77747	0.8
91.05482	2.3
93.07050	6.9
95.01320	1.7
95.07343	0.8
95.08631	1.4
96.08135	2.1
98.06086	4.1
102.05531	10.1
103.81296	0.8
105.07055	1.1
107.08609	2.9
108.08120	46.5
109.08982	1.1
109.10169	1.4
110.09708	3.9
112.03999	1.7
113.02390	1.1
114.05554	1.4
119.08620	0.9
122.09660	3.6
123.10453	1.3
130.05006	90.2
131.05348	1.8
133.10123	2.1
134.09663	2.7
135.11694	5.6
136.11198	2.2
137.05978	2.7
142.04959	1.2
150.12778	17.2
151.13583	2.5
152.14348	100.0
153.14679	4.7
154.15910	2.9
161.13223	1.2
163.03964	1.6
163.07524	1.2
178.15906	3.6
191.08203	1.6
193.13336	1.0
196.16985	31.8
197.17305	1.5
210.11194	0.9
233.06117	1.1
235.18059	3.7
236.16507	1.2
261.19650	1.4
263.17505	0.9
264.15985	18.7
266.17456	1.7
281.18597	74.5
282.18799	4.6
283.20169	1.4
293.08218	1.1
307.20163	1.6
308.18631	6.2
325.14880	2.8
325.21213	82.7
326.21335	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	325.2163
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03940	4.4
55.05517	8.7
57.07071	4.6
67.05505	16.8
69.03435	4.5
69.07079	9.8
71.27931	2.8
79.05506	20.1
81.07069	26.9
83.08633	4.2
85.06570	3.9
89.06132	3.4
91.05489	19.8
93.07045	28.1
95.04977	40.0
95.08630	13.5
97.06538	18.1
105.07035	36.0
105.94093	2.8
107.04954	4.1
107.08610	19.1
109.06541	5.9
109.10175	6.9
111.08097	3.3
117.07044	9.8
119.08575	21.2
121.06535	4.9
121.10155	12.0
123.11735	4.1
128.06206	6.8
129.07008	8.9
130.07845	4.1
131.08603	15.8
133.06491	6.3
133.10173	10.0
135.08093	5.7
135.11682	3.4
136.08430	4.0
141.06969	4.4
141.36740	3.3
142.07805	18.5
143.07622	3.0
143.08598	21.9
145.10112	24.8
147.08096	10.4
147.11720	4.5
153.07048	3.9
155.08569	10.8
156.09410	7.5
157.10121	23.6
158.10869	3.3
159.08073	3.4
159.11732	11.2
161.09628	6.6
161.42360	3.2
163.11198	4.0
165.07074	8.8
167.08580	13.1
169.10103	16.7
171.08104	3.3
171.11667	17.1
173.13255	8.7
179.08549	11.0
180.09247	5.4
181.10181	18.3
182.10905	7.6
183.11722	14.4
185.09595	15.3
185.13210	3.6
189.12808	4.9
192.09450	5.5
193.10155	13.2
194.10904	9.3
195.11667	18.0
196.12355	5.2
197.09544	3.1
197.13254	15.8
198.73207	2.9
199.14915	7.6
201.12579	3.6
202.98360	3.4
203.08643	4.3
206.11006	4.8
207.11685	15.9
208.12512	11.2
209.13298	15.5
211.11295	4.9
211.14874	10.6
213.12857	6.6
215.14365	6.7
219.11652	3.5
220.12502	3.7
221.13272	8.4
223.14822	18.8
225.12769	13.4
227.14214	5.3
233.13271	8.9
234.13925	3.8
235.14853	5.5
237.12695	4.8
237.16458	5.8
239.14397	5.0
241.15860	8.4
247.14688	4.6
249.16388	3.6
251.14360	13.2
263.17978	8.8
265.15997	3.1
269.15417	11.8
274.17026	3.5
279.21106	8.7
289.19574	6.1
295.69528	3.2
297.22302	6.2
307.20566	41.7
308.20853	3.8
316.53314	3.3
325.21616	100.0
326.22018	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	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03945	4.6
54.43204	2.1
55.01874	14.8
55.05511	85.1
56.65607	2.3
57.03424	3.6
57.07063	8.9
65.60221	2.1
67.05503	43.3
69.03416	8.2
69.07071	23.7
70.06581	2.2
71.04974	4.3
71.08630	31.2
71.09241	2.5
79.05032	1.9
79.05485	43.1
81.03423	36.1
81.07061	55.4
83.04974	26.9
83.08620	45.6
85.06515	3.0
85.10192	3.7
88.07630	4.7
91.05479	25.6
93.07038	32.2
95.04968	51.7
95.08599	18.6
97.06499	8.6
97.10177	40.5
99.08093	22.0
105.07027	20.4
107.04960	7.2
107.08596	35.4
109.06540	6.7
109.10154	18.5
111.04435	12.9
111.08083	12.7
117.07006	11.7
119.08578	14.2
121.06453	5.4
121.10117	11.6
123.08040	4.3
125.09621	34.5
129.07002	6.5
131.08554	7.1
133.10141	7.5
135.08047	53.6
135.11688	12.5
136.08392	38.9
139.11232	2.9
145.10129	13.3
147.07997	3.8
147.11647	7.2
149.02338	9.7
149.09586	16.4
149.13271	2.8
151.11093	2.9
153.08961	5.1
153.12695	3.2
157.10132	5.1
159.11676	8.3
161.09554	3.5
161.13333	2.7
163.11177	60.9
165.12723	7.8
167.10690	4.6
173.13234	2.8
175.11189	5.7
177.12721	9.2
178.05594	2.6
179.10785	2.5
181.12202	2.7
185.11789	3.2
189.11232	6.9
191.10574	2.6
193.04945	20.3
193.12234	24.3
195.13797	23.1
197.13313	2.8
203.12753	6.0
205.12186	2.8
210.64081	4.1
223.13322	12.3
224.65672	4.3
225.14784	4.9
237.14793	4.3
247.20546	4.7
257.19003	8.5
265.21622	3.0
275.20044	39.7
276.20316	3.2
293.21094	100.0
294.21503	6.0
307.22662	17.6
325.23157	7.2
325.26685	19.0
325.29431	5.1
325.76294	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	21.0
55.05520	68.7
55.93154	7.5
57.03429	16.5
57.07083	9.5
67.05507	100.0
69.03416	11.1
69.07076	89.5
69.50414	44.0
71.05000	17.6
79.05489	70.6
81.07066	85.3
83.04965	31.8
83.08618	59.1
85.06544	9.9
91.05486	64.6
93.07040	66.7
95.04978	58.6
95.08607	75.9
97.06546	21.7
97.10160	24.1
100.64341	7.8
105.07040	37.1
107.04951	18.3
107.08588	53.6
109.06526	16.7
109.10175	42.1
111.04420	13.6
111.08080	24.5
117.07002	11.8
119.07833	11.3
119.08555	47.4
121.10159	39.1
123.11724	13.2
123.21039	8.2
125.09633	24.2
125.26640	7.2
131.08568	21.1
133.10130	28.5
135.08076	17.3
135.11707	38.1
137.09561	9.4
143.08578	8.7
145.10156	27.5
147.08022	8.9
147.11673	14.6
149.09637	42.2
149.13350	7.8
151.11166	10.8
153.12753	23.3
155.50792	8.7
159.11684	23.1
161.13306	11.9
163.11172	32.7
165.12822	13.9
173.13309	9.7
187.11252	12.5
189.11377	12.0
191.10709	10.7
223.13307	34.9
245.09175	8.9
247.20578	15.2
257.18967	15.5
265.21677	10.1
275.20111	97.7
293.21118	72.3
307.22693	12.0
308.29288	11.7
325.14636	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	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01872	4.1
55.05513	23.7
57.03426	2.9
57.07068	5.2
67.05503	17.5
69.07069	22.3
71.05000	4.7
71.08638	18.5
79.05495	16.6
81.07061	27.8
83.04985	4.3
83.08620	8.5
91.05473	8.8
93.07047	19.9
95.04973	20.8
95.08604	22.5
97.06546	4.9
97.10160	4.2
99.08097	16.6
105.07016	12.7
107.08597	16.0
109.06528	26.2
109.10160	12.0
111.04422	5.3
111.08078	3.8
119.08591	10.6
121.06501	9.1
121.10123	12.3
123.08093	4.1
125.09637	4.7
131.08569	7.8
133.10136	5.1
135.08054	6.3
135.11723	3.9
139.11180	3.8
141.09055	3.2
145.10117	5.7
147.11717	4.3
149.09578	7.8
152.84715	2.5
159.11681	4.1
161.13254	5.4
163.11174	5.9
165.12772	51.7
173.13222	5.6
177.12746	3.2
181.15891	13.1
191.14355	4.5
223.13264	10.8
234.99075	3.1
239.62898	2.8
242.16487	2.6
251.16405	5.2
261.22110	22.2
275.20041	12.3
277.13794	2.7
279.23257	8.0
289.21634	33.3
290.22040	4.6
293.21072	10.9
307.22665	100.0
308.23022	8.4
318.04361	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32906	9.1
55.01875	28.4
55.05507	29.1
57.03436	13.8
67.05508	71.8
69.07070	44.7
71.08614	14.9
71.31081	11.1
72.80491	8.8
77.40685	9.0
79.05501	44.8
81.03450	9.0
81.07055	100.0
83.08611	21.2
83.67375	9.4
86.06844	8.8
91.05479	39.7
93.07059	53.4
95.04969	22.6
95.08613	40.4
97.06525	27.5
98.22755	9.5
105.07026	37.0
107.08630	24.8
109.06515	11.9
109.10133	22.9
109.81494	11.1
117.07015	17.7
119.08572	29.7
121.10122	25.3
123.08112	15.7
125.09625	12.7
131.08549	24.5
131.43726	10.5
133.10152	26.9
135.08084	10.3
135.11679	19.0
137.09666	9.6
145.10120	16.6
147.11699	23.0
151.11121	11.2
159.11723	13.9
160.81348	9.5
161.13284	9.7
163.11195	16.0
177.12798	18.5
257.19012	11.7
275.20078	52.5
293.21136	28.1
307.22641	30.3
325.25806	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03945	4.6
54.43204	2.1
55.01874	14.8
55.05511	85.1
56.65607	2.3
57.03424	3.6
57.07063	8.9
65.60221	2.1
67.05503	43.3
69.03416	8.2
69.07071	23.7
70.06581	2.2
71.04974	4.3
71.08630	31.2
71.09241	2.5
79.05032	1.9
79.05485	43.1
81.03423	36.1
81.07061	55.4
83.04974	26.9
83.08620	45.6
85.06515	3.0
85.10192	3.7
88.07630	4.7
91.05479	25.6
93.07038	32.2
95.04968	51.7
95.08599	18.6
97.06499	8.6
97.10177	40.5
99.08093	22.0
105.07027	20.4
107.04960	7.2
107.08596	35.4
109.06540	6.7
109.10154	18.5
111.04435	12.9
111.08083	12.7
117.07006	11.7
119.08578	14.2
121.06453	5.4
121.10117	11.6
123.08040	4.3
125.09621	34.5
129.07002	6.5
131.08554	7.1
133.10141	7.5
135.08047	53.6
135.11688	12.5
136.08392	38.9
139.11232	2.9
145.10129	13.3
147.07997	3.8
147.11647	7.2
149.02338	9.7
149.09586	16.4
149.13271	2.8
151.11093	2.9
153.08961	5.1
153.12695	3.2
157.10132	5.1
159.11676	8.3
161.09554	3.5
161.13333	2.7
163.11177	60.9
165.12723	7.8
167.10690	4.6
173.13234	2.8
175.11189	5.7
177.12721	9.2
178.05594	2.6
179.10785	2.5
181.12202	2.7
185.11789	3.2
189.11232	6.9
191.10574	2.6
193.04945	20.3
193.12234	24.3
195.13797	23.1
197.13313	2.8
203.12753	6.0
205.12186	2.8
210.64081	4.1
223.13322	12.3
224.65672	4.3
225.14784	4.9
237.14793	4.3
247.20546	4.7
257.19003	8.5
265.21622	3.0
275.20044	39.7
276.20316	3.2
293.21094	100.0
294.21503	6.0
307.22662	17.6
325.23157	7.2
325.26685	19.0
325.29431	5.1
325.76294	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	325.2739
Annotation	14,15-Dihydro-14,15-dihydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.06047	2.8
53.03975	2.9
55.01865	3.3
55.05513	36.0
56.05034	7.8
57.03429	8.6
57.07069	16.8
59.04984	3.8
67.05506	41.1
69.03427	8.6
69.07072	79.5
71.04984	9.2
71.08187	2.6
71.08615	5.0
79.05504	24.7
80.60634	3.2
81.03443	3.4
81.06586	5.5
81.07061	100.0
83.04977	14.0
83.08621	37.5
83.16971	2.4
85.02905	3.7
85.06553	11.5
86.02399	2.7
88.19413	2.6
88.79573	2.8
91.05480	19.2
92.16642	2.8
93.07047	71.9
93.07631	4.0
94.07364	2.8
95.04973	8.4
95.08610	99.5
97.06548	13.5
97.10170	15.8
98.22550	5.0
99.08105	4.9
105.04477	3.5
105.07037	15.1
107.08598	34.7
109.06528	14.9
109.10160	57.8
110.10586	3.2
111.08084	55.9
111.11720	9.8
119.08576	14.2
121.06514	5.2
121.10146	42.1
123.08054	12.1
123.11710	40.7
125.09628	11.9
125.13230	2.5
127.11191	3.9
131.08607	3.6
133.10147	6.6
135.04440	6.1
135.11710	17.1
137.05920	2.8
137.09688	5.0
137.13254	10.9
139.11186	18.4
145.02890	3.4
145.10130	4.9
147.11700	9.2
149.09587	5.8
149.13306	15.7
151.11189	4.5
153.12772	7.4
154.12280	28.5
155.10753	5.0
159.11690	7.2
161.13306	6.2
163.03912	15.0
163.11276	4.0
163.14836	5.6
167.10680	5.3
167.14339	6.3
171.14941	15.9
175.14894	4.3
177.12846	3.7
181.12270	4.5
191.17914	3.8
195.00972	2.6
198.24846	3.0
209.19017	10.2
215.17969	4.4
217.19472	5.0
229.12520	3.3
235.20634	8.1
265.08600	2.9
271.24170	4.6
289.25211	5.9
293.07892	4.5
295.26315	4.7
307.09531	3.8
307.26358	19.7
308.26712	3.2
325.10556	5.1
325.27386	34.4
326.10361	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	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.57864	2.4
50.70283	2.3
51.96724	2.2
53.03952	3.6
55.05275	2.4
55.05516	25.9
57.03451	3.8
57.07069	9.2
67.05507	30.0
69.03442	4.1
69.07077	37.4
69.28149	3.8
69.28561	11.0
71.04988	7.9
71.08643	2.7
79.05501	20.6
81.03426	3.2
81.07062	100.0
83.04991	12.8
83.08640	13.5
85.02911	3.3
85.06537	8.5
91.05478	9.8
93.07053	35.8
95.04980	8.2
95.08614	64.9
96.08954	2.4
97.06535	7.0
97.10173	9.5
99.04438	2.3
99.08118	2.4
100.64523	2.0
105.07062	15.0
107.08608	31.3
109.06537	5.6
109.10159	40.8
111.08116	15.2
111.11715	5.2
119.08582	11.9
121.06558	2.9
121.10157	24.5
123.08079	4.5
123.11726	34.8
125.09618	7.1
127.11184	2.4
133.02863	8.2
133.10132	9.4
135.08076	2.4
135.11722	14.8
137.05977	2.5
137.09610	3.8
137.13275	9.5
138.99506	3.2
139.11177	10.8
141.12732	3.0
141.63788	2.3
145.10135	6.4
147.11690	4.4
149.05937	2.4
149.13257	18.1
151.11179	3.3
153.12738	4.0
159.11673	4.7
161.13272	6.8
163.03909	10.0
163.11238	4.7
163.14876	3.9
165.12857	2.8
167.14180	2.5
172.10583	2.2
173.13321	2.8
177.16495	2.6
179.17992	2.9
181.12247	2.2
185.75243	2.4
187.14793	2.4
191.17917	2.6
217.19649	2.1
233.37314	2.2
237.11003	2.7
271.24155	3.5
277.25159	3.5
289.25278	7.5
307.18979	3.2
307.26349	17.7
325.10583	3.8
325.27490	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09801	1.3
55.05523	3.0
57.02215	1.3
57.03434	1.5
57.07090	2.2
61.02944	2.0
62.92686	1.1
67.05508	17.8
69.03429	2.7
72.08108	1.2
81.03410	1.8
83.04979	6.3
85.02905	6.5
85.06549	22.8
94.63570	1.6
97.02918	3.4
98.98471	100.0
101.06023	36.2
109.02912	1.5
109.07628	12.3
110.07198	3.8
111.04459	5.5
119.07059	3.5
121.06515	3.0
129.05515	7.8
134.52800	1.5
136.07626	4.6
145.07613	4.0
146.06039	4.8
146.07956	3.4
147.06526	68.8
153.01889	1.8
153.06625	3.6
156.07701	1.7
163.08710	3.2
164.07062	8.3
164.09113	2.6
168.11403	3.2
174.99240	7.2
197.03798	5.0
212.10228	1.9
223.10869	3.7
251.00156	2.1
282.18161	2.0
315.16367	1.3
326.08331	8.0
326.14130	3.2
326.17358	14.5
327.13419	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	326.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.1
67.05516	1.0
68.05035	1.3
70.06593	100.0
71.06938	0.8
71.29642	0.7
73.70292	0.5
79.01883	0.5
81.03374	0.5
82.04195	0.6
83.06091	3.0
84.04516	1.3
85.02911	1.5
86.06072	1.7
86.09688	3.2
93.03407	0.8
95.04974	1.5
97.02911	0.6
97.06548	0.6
98.06058	1.5
98.98466	69.9
101.07140	1.3
105.00523	0.5
105.07047	1.0
110.03675	1.0
110.07197	2.1
111.04434	0.8
114.05516	1.3
116.07092	16.0
116.07943	0.8
116.99487	1.9
121.02875	0.5
125.06024	0.6
127.03868	0.6
129.05582	0.7
129.06580	5.8
136.07625	0.5
138.03137	0.6
142.02617	0.6
147.43677	0.5
153.01826	7.8
153.02957	0.7
155.59834	0.4
156.07588	0.6
162.05524	1.9
163.03874	0.6
163.05850	1.1
164.04253	0.6
164.06110	0.8
168.79092	0.4
171.06555	1.0
171.55092	0.5
174.99249	8.1
181.04962	24.8
183.14937	2.2
208.58939	0.4
211.10741	1.1
211.14404	2.9
213.12340	52.7
214.12645	2.4
218.27635	0.5
251.00070	0.9
314.55637	0.4
326.17081	0.6
327.07034	1.7
336.50800	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	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30383	0.8
53.03954	1.1
55.05511	2.5
55.44629	0.8
57.03444	1.5
58.04240	0.8
59.41202	0.9
61.02937	2.7
67.05506	0.9
69.03431	7.1
70.87067	1.8
73.02929	1.4
81.03423	3.9
83.08625	8.9
85.02910	33.6
91.03957	2.1
93.07050	0.8
97.02892	9.3
98.98472	100.0
99.04458	2.0
100.03996	3.2
100.30535	0.7
101.09670	8.1
109.02884	3.3
115.03920	0.8
116.99516	3.2
121.06516	1.0
127.03921	8.2
128.31818	0.8
137.05963	1.0
145.04964	13.3
147.10217	1.2
156.90424	0.7
161.05988	1.0
163.06010	2.6
164.73570	0.7
173.06001	0.8
173.87857	0.8
174.99239	11.4
182.11842	1.7
202.05748	0.9
222.06779	0.9
269.04578	0.8
294.08051	0.9
308.00748	0.9
309.18130	1.7
326.10852	1.2
326.20331	1.8
327.17819	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	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09910	1.9
55.05508	17.1
69.07068	15.7
70.06596	18.5
73.93739	2.2
80.88999	2.0
83.08622	49.9
84.04499	6.6
85.02919	7.1
86.09735	3.1
98.98472	100.0
110.07153	7.4
111.08108	14.0
119.06995	2.2
127.03906	2.3
129.09122	69.0
133.06468	2.4
136.07640	2.0
137.05972	6.3
138.06360	6.6
147.10143	19.9
150.09119	2.8
151.09514	6.6
156.07681	3.1
174.99261	9.9
179.07048	5.6
180.07390	9.8
183.14960	3.9
196.09616	2.7
197.10054	5.8
302.23535	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	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05460	1.2
55.01872	1.3
55.05511	3.2
69.03445	1.1
69.07071	10.0
70.06561	1.6
71.28337	1.6
83.08622	15.4
87.08128	3.3
94.09741	1.3
95.16591	1.1
98.98471	100.0
111.08097	10.2
116.99479	2.4
119.07323	2.5
121.51379	1.2
129.09123	45.2
145.41489	1.1
150.46338	1.1
161.75494	1.0
163.03941	1.8
164.04225	1.5
174.99272	10.0
264.16620	1.2
281.09320	5.6
301.78445	1.0
327.14297	2.5
338.97311	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	327.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13620	0.5
54.41597	0.5
57.45435	0.5
59.69416	0.5
60.48044	0.4
65.97608	0.5
70.06625	0.6
78.83856	0.5
94.89537	0.7
98.98472	100.0
116.99519	2.1
137.05994	0.9
145.02904	0.8
150.86684	0.5
162.01221	41.5
163.01811	1.0
174.99240	11.1
175.01828	0.6
176.02765	0.5
177.05478	1.3
180.02092	0.5
190.00723	8.3
193.98482	1.0
194.99347	0.6
211.99391	0.9
218.00314	0.6
221.01295	1.0
228.82002	0.6
233.01297	48.2
234.01953	4.6
239.99005	0.7
246.02107	3.4
247.02863	8.7
248.03156	0.7
251.00070	1.3
251.02461	1.2
254.00500	0.8
261.00806	42.8
262.01379	4.0
264.98535	5.6
265.99265	3.3
276.98587	0.9
280.00943	1.6
309.01111	30.4
310.01419	1.9
327.14142	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	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	1.4
55.30884	0.4
65.03943	0.6
67.05497	1.8
67.82648	0.5
69.03423	2.2
69.57339	1.7
79.05493	2.7
81.03421	4.2
81.07069	2.3
91.05488	5.5
93.07030	1.1
94.04182	3.0
95.04948	0.7
95.08594	1.2
95.11315	0.5
98.98468	47.6
99.04472	0.5
103.05474	22.2
105.07033	10.8
107.04944	3.4
108.05716	0.7
109.02882	1.9
109.06535	3.6
109.10159	2.7
115.05448	1.6
116.99499	1.3
117.07067	2.5
119.04950	1.4
121.06517	6.4
122.03654	6.9
123.04428	0.6
123.08055	1.4
127.03893	0.6
128.06230	0.6
129.07040	0.9
131.04932	24.2
132.05258	0.6
133.06497	35.0
134.06813	1.1
135.07092	0.9
135.08055	13.5
136.05183	0.8
137.05978	100.0
137.09558	3.6
138.06313	2.3
143.04973	1.3
145.06480	8.3
147.04408	1.7
147.08022	2.3
149.05981	2.0
151.07549	13.9
155.06018	0.8
157.06458	2.7
161.05986	0.8
162.06741	1.0
163.07545	52.4
164.07933	2.1
165.09106	3.1
168.02808	0.5
171.08069	1.6
172.05191	1.0
174.99220	5.3
175.07608	2.9
177.09109	1.7
187.07574	1.4
189.09167	2.6
202.07733	1.1
203.10690	1.8
207.08055	0.8
217.10234	0.6
220.08789	1.0
235.11195	1.9
245.09697	1.2
248.08397	1.0
263.10681	4.3
274.43201	0.5
295.13287	9.1
296.13422	0.9
327.15933	6.8
328.16013	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01880	4.2
55.05511	15.3
57.03429	3.9
57.07074	10.6
65.03943	4.8
67.05505	48.1
69.07064	20.7
71.05007	3.6
77.03943	3.6
79.05489	37.8
81.03394	4.6
81.07064	42.1
83.08629	9.7
85.06556	6.5
91.05483	53.9
93.07047	100.0
94.07416	4.1
95.04974	99.8
95.08611	75.4
97.06538	19.6
98.98466	41.8
101.08235	3.1
103.05453	4.9
105.04504	5.4
105.07032	81.9
107.08604	52.0
109.06522	13.1
109.10169	31.1
110.52473	2.8
115.05491	7.7
117.07022	23.9
119.08585	96.4
120.09030	3.3
121.06470	21.0
121.10138	40.3
123.08065	13.5
123.11722	9.8
128.06221	9.7
129.06998	11.8
130.07814	6.7
131.08597	33.4
133.10129	50.7
135.08052	13.0
135.11716	14.1
137.09613	3.8
141.07019	8.1
141.24979	3.1
142.07780	17.5
143.08557	26.5
144.09369	12.8
145.10124	50.1
147.08040	4.4
147.11674	20.4
149.09657	3.8
153.06984	4.6
155.08539	11.5
156.09344	13.2
157.10138	50.5
158.10876	5.4
159.08058	7.1
159.11699	54.0
161.09663	19.8
161.13269	5.4
163.11137	3.8
169.10088	20.8
170.10902	8.3
171.11678	22.9
172.12386	4.0
173.13258	21.5
174.99255	5.0
175.14830	26.9
179.08624	4.9
181.10185	7.1
182.10973	5.4
183.11682	15.6
185.13271	12.6
187.11185	7.1
187.14870	20.6
189.16423	5.0
193.10164	8.9
194.10934	5.1
195.11687	7.9
196.12515	4.9
197.13240	12.4
199.14836	17.9
201.12744	3.5
201.16438	7.2
207.11797	8.2
209.13287	11.9
211.11195	3.9
211.14850	10.9
213.16342	5.0
215.14424	4.2
217.15862	8.9
221.13318	6.5
225.16403	7.5
227.14346	4.0
229.08344	4.0
234.24408	3.3
235.14885	8.2
253.15894	7.7
265.19623	5.1
288.71490	3.5
291.20865	3.2
309.22192	11.7
327.23227	26.8
348.04709	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02386	2.8
51.39970	0.4
51.56005	0.4
53.03718	0.7
53.03951	9.4
55.01875	0.8
55.05505	1.8
57.07076	1.9
59.04989	0.5
60.84619	0.5
65.03943	1.2
67.05509	4.4
69.03455	0.4
69.07063	3.4
69.15656	3.7
77.03897	3.1
79.05511	3.7
81.03422	1.6
81.07058	5.3
83.04945	0.6
83.08654	0.7
85.06555	0.5
91.05476	5.6
93.07047	11.0
95.04975	26.1
95.08611	9.6
96.05324	0.5
97.06529	2.7
97.12919	0.5
98.23398	0.7
98.98469	52.4
103.05455	0.8
105.04525	5.8
105.07028	9.5
107.05032	0.5
107.08597	6.5
109.06509	2.3
109.10143	3.2
115.05444	0.9
116.99522	1.3
117.07031	2.4
119.07799	0.4
119.08579	10.6
121.02894	0.6
121.06496	3.0
121.10171	5.0
123.08067	2.3
123.11716	1.1
128.06230	0.9
129.06999	1.8
130.07745	0.5
131.08591	4.7
133.06522	0.8
133.10132	7.3
135.08055	1.9
135.11710	2.1
137.09645	0.8
138.99442	0.7
141.06976	0.8
142.07785	2.2
143.08586	2.8
144.09358	1.1
145.02858	0.5
145.06555	0.6
145.10132	6.7
147.08022	0.5
147.11711	2.4
149.09552	0.8
152.06213	29.2
153.07011	17.9
154.07411	0.9
155.08527	1.2
156.09335	1.5
157.10123	5.4
159.08023	0.9
159.11684	6.4
161.09602	2.0
161.13329	0.9
164.25218	0.6
167.08600	0.8
168.05717	8.3
169.06493	3.6
169.10095	2.2
171.08047	1.9
171.11687	2.4
173.13191	2.1
174.99245	5.4
175.01559	2.2
175.14807	3.4
179.06035	1.2
179.08540	0.8
181.10065	0.6
182.10925	0.7
183.11723	1.8
185.13274	2.0
187.03136	1.2
187.11186	1.4
187.14833	2.5
189.16376	0.8
191.14362	0.6
193.10059	0.6
194.10878	0.6
195.11653	1.1
196.12524	0.5
197.13257	1.6
199.14835	1.7
201.16466	0.9
202.07802	1.0
209.13274	1.4
210.14148	0.5
211.14799	0.9
213.16423	0.6
215.02548	5.8
216.03114	0.7
217.15936	0.6
220.12497	0.7
223.15022	0.4
225.16443	1.1
227.08521	1.7
227.14264	0.7
228.09361	6.3
229.10005	3.0
229.15947	0.5
230.24763	0.6
233.03633	27.6
234.03944	1.6
235.14816	0.9
251.00122	0.7
251.04669	14.8
252.04991	0.8
265.19641	0.6
291.21072	0.5
299.40326	0.5
309.06808	0.8
309.22134	1.6
327.07800	100.0
327.22971	3.5
328.08185	10.3
328.35666	1.0
334.14819	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	327.2319
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
51.02369	2.7
53.03941	6.1
55.01870	8.7
55.05516	20.3
57.03453	11.2
57.07076	2.4
65.03945	3.8
66.01363	2.2
67.05508	30.4
69.01655	17.8
69.03437	8.9
69.07075	23.3
71.05000	22.4
74.20612	2.5
79.05498	29.4
81.03423	3.3
81.07059	25.2
83.04990	5.0
83.08633	6.5
85.06576	2.1
91.05486	37.2
93.07045	83.9
94.51559	2.3
95.04971	71.4
95.08609	97.9
97.06535	8.3
98.98469	56.4
103.05498	4.3
105.04505	4.1
105.07035	91.2
107.04974	4.4
107.08602	73.0
109.06519	13.8
109.10138	5.3
115.05470	6.4
117.07025	35.5
119.08591	23.9
121.06497	17.2
121.10149	21.3
123.08069	22.8
123.11739	6.3
123.72275	2.2
125.93960	2.5
128.06247	5.7
129.07014	5.6
130.07797	18.3
131.08594	7.3
133.10097	16.8
135.08058	50.3
135.11708	21.4
137.09607	4.3
143.08595	10.3
145.10129	100.0
146.10440	3.0
147.11678	6.4
149.09598	14.4
157.10159	10.1
159.08046	5.2
159.11720	6.8
161.09595	8.4
161.13275	4.9
163.11197	77.6
163.14928	3.4
164.11539	3.1
165.12779	10.0
169.10159	2.3
171.11665	3.6
173.09659	6.1
173.13290	3.5
174.99231	4.3
177.09207	2.9
177.12759	2.7
183.11740	3.4
187.11218	5.0
187.14836	5.4
191.14346	27.0
193.15913	9.6
195.11751	3.0
197.13309	4.2
199.14856	3.3
205.15891	45.3
217.15907	9.7
229.15945	3.0
231.17397	2.7
247.16917	9.1
258.19690	3.5
270.19711	9.0
271.20557	4.5
293.24026	2.5
309.22180	3.9
327.08124	3.5
327.19327	4.8
327.23203	87.8
328.23514	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	327.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93573	0.9
53.03938	3.6
57.07068	1.2
67.05507	1.6
69.07056	1.6
71.00153	1.8
71.08640	2.3
77.01575	0.9
81.07054	2.7
83.08652	1.0
87.68163	0.8
89.06004	1.0
91.05482	0.9
93.07053	1.2
95.04973	4.8
95.08603	2.5
98.98470	100.0
100.04482	0.8
104.33479	1.0
105.04500	1.8
105.07050	1.2
107.08583	1.3
116.79997	1.0
116.99490	2.7
119.08607	1.4
152.06197	9.0
153.06999	6.0
168.05740	2.9
171.08003	1.1
174.99213	12.4
215.02661	1.7
227.08577	1.0
228.09424	2.8
229.10080	1.6
233.03589	10.5
250.99980	1.2
251.04742	4.6
287.66394	1.1
291.23315	1.8
309.24271	12.1
327.07800	29.7
327.23022	3.6
328.08160	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	328.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01863	0.7
55.05500	1.4
56.12604	0.4
58.99591	2.3
59.04986	1.0
65.03938	5.3
67.05505	2.8
68.99823	0.3
69.03429	27.8
69.07064	0.6
70.06587	1.5
71.01339	0.4
71.29416	0.4
72.08152	2.6
73.01127	0.5
73.06544	1.5
76.02228	8.6
77.03905	0.3
79.05492	2.3
81.07045	1.3
82.00556	0.4
82.04195	1.8
83.04969	1.0
84.04513	1.7
85.02923	3.6
86.09710	3.2
86.99033	0.9
87.04436	0.5
88.03968	1.3
91.05460	1.5
93.03410	1.5
93.07015	1.9
95.04954	1.1
95.08606	3.9
97.02913	0.6
97.06519	1.5
98.98465	27.7
102.05550	0.5
103.05449	1.4
105.00082	1.0
105.04507	0.4
105.07033	7.8
108.02105	0.9
109.02879	7.1
109.06538	0.4
110.03687	2.3
111.04435	0.8
115.27922	0.4
116.07102	2.7
116.99451	0.5
117.07016	0.4
117.09138	0.6
119.01656	2.1
119.08571	2.8
119.58961	0.4
120.08110	9.1
121.10144	38.8
122.02731	8.1
122.10450	1.0
123.08070	9.6
125.05975	1.4
125.09629	0.9
130.05011	2.8
133.06499	2.1
133.07605	1.0
133.10056	0.4
135.11665	0.4
137.09605	0.7
137.13225	0.5
138.03123	1.3
139.11194	0.7
139.16878	0.3
142.02609	2.2
142.20541	0.4
144.04778	1.5
147.11694	1.3
148.07623	0.5
149.09636	0.7
149.11754	0.8
151.07541	33.7
152.07880	1.2
153.05464	1.4
161.13297	0.8
162.05753	0.5
163.11179	3.2
165.05490	0.4
165.09135	1.1
165.12762	4.0
167.03615	0.7
167.05276	8.8
167.06696	0.5
171.06488	3.0
172.04297	0.4
174.99179	1.9
175.71320	0.3
176.98955	1.0
181.04955	100.0
182.05325	3.5
182.08047	0.6
183.04707	3.0
185.16470	1.4
189.12743	1.7
190.05345	2.1
191.03748	1.1
197.09956	4.7
203.92616	0.4
207.13818	6.8
213.16051	0.6
233.30949	0.4
239.10883	3.6
254.08438	0.9
272.09528	4.0
285.08453	2.2
310.14618	0.5
328.15604	0.8
329.06955	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	328.1182
Annotation	Penicidone A
Peak:m/z	Relative Intensity
52.27697	0.6
65.03938	1.1
70.04819	1.9
72.08139	0.7
72.59679	0.7
79.05515	1.1
81.07037	1.0
86.09694	1.4
89.68275	0.7
91.05486	4.0
94.04171	1.1
95.04955	1.5
98.23267	1.2
98.98471	68.4
103.05490	2.7
105.07039	1.9
109.06510	1.5
115.05465	5.4
116.99505	1.9
117.42905	0.7
119.04952	1.9
120.08071	0.7
121.06513	1.5
122.03661	4.2
123.04419	2.4
131.04955	4.5
133.06509	1.4
136.05212	1.0
137.02428	0.8
137.05988	50.4
138.06326	2.0
143.04929	7.1
145.02904	1.4
145.05206	1.1
146.06018	1.6
147.04428	2.9
148.07626	1.3
149.05989	6.0
150.06699	1.0
151.03905	1.7
151.07559	2.0
152.07098	1.4
155.83202	0.7
158.06052	1.1
161.05963	5.8
162.05499	7.4
163.06300	8.2
164.07082	13.5
165.07040	1.0
167.03409	0.9
167.10637	0.9
174.99266	4.9
175.03920	0.8
176.07132	4.7
176.98894	1.1
177.05475	2.5
177.07018	3.1
178.05051	1.1
179.08522	1.6
186.05484	1.2
189.07014	0.6
190.05061	1.4
192.06497	2.1
195.07983	0.8
203.03459	0.7
204.06520	2.1
204.08215	1.1
205.06471	11.1
207.08063	2.3
210.06815	1.2
211.07556	1.5
214.08609	1.6
221.06050	1.7
222.06778	2.9
222.08917	0.9
223.07536	8.7
224.08266	0.9
227.07004	0.7
228.10213	1.6
232.07753	1.1
233.05998	5.7
234.06758	1.5
235.07478	0.9
237.09161	1.9
238.08514	1.2
239.07037	1.3
240.10078	0.9
242.08093	0.8
249.05554	0.9
249.07881	2.3
250.06242	9.4
250.08691	6.4
251.07057	15.5
252.07675	2.5
253.08569	1.9
254.05212	0.7
256.09750	1.7
261.05688	1.2
262.08707	1.2
263.07242	0.8
265.08649	7.7
266.08237	2.0
267.06461	1.9
267.08908	1.5
268.07117	1.7
268.09698	13.1
269.10391	1.1
278.05692	10.0
278.08212	8.5
279.06464	4.9
279.08951	1.7
280.07178	0.8
283.09735	6.6
284.09299	3.9
285.09930	16.1
286.10440	0.8
293.08102	19.9
294.08167	1.7
295.08505	4.3
296.09418	1.2
299.09283	6.1
300.12317	42.4
301.12653	2.8
310.10739	10.7
311.09070	17.8
311.12305	1.2
312.09637	1.1
313.03345	2.1
314.04199	2.5
328.05338	7.7
328.11795	100.0
328.28491	1.1
329.06589	12.2
329.12155	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	328.1179
Annotation	Penicidone A
Peak:m/z	Relative Intensity
53.93665	0.8
61.06574	0.8
63.09780	1.0
68.99783	2.9
69.21748	5.0
69.22151	2.0
91.05482	3.0
98.98468	20.3
98.99117	1.1
101.02378	1.3
103.05465	2.4
106.06544	1.3
115.05443	6.6
119.04991	1.5
122.03644	4.4
123.04422	2.1
129.07027	1.2
131.04903	3.4
137.05975	50.3
143.04927	6.0
146.05969	1.6
147.04422	4.0
148.07529	1.5
149.05975	5.0
151.03885	2.0
151.07562	2.4
161.06017	6.1
162.05515	7.4
163.06276	7.2
164.07076	15.6
165.07101	1.3
167.03378	1.4
167.08685	1.0
173.05969	8.4
174.99193	1.4
175.03896	2.2
176.07132	4.2
177.05623	1.3
177.07104	3.2
179.08583	1.1
185.05934	1.4
189.01865	1.3
192.06532	2.2
194.07275	1.4
199.03899	1.7
201.05493	6.1
203.03366	5.6
204.06476	1.5
204.08174	1.7
205.06470	9.1
207.08092	1.8
213.05453	4.0
221.06094	1.3
222.06908	1.9
222.09129	1.2
223.07544	8.7
225.09035	1.6
231.06462	1.2
233.05952	6.6
233.08234	2.0
234.06609	1.2
235.07451	1.8
237.09065	2.2
238.08827	1.0
239.10504	1.0
240.07819	1.1
240.10147	1.8
241.05075	1.2
249.05537	1.2
250.06224	7.8
250.08679	6.3
251.07021	14.6
251.09410	1.3
252.07706	1.7
254.09242	1.2
256.09680	2.8
259.06113	6.9
265.08536	5.6
266.08325	2.4
267.06467	1.1
267.08960	1.5
268.07025	1.4
268.09698	14.9
269.04407	1.9
273.07291	1.1
278.05707	9.3
278.08176	9.0
278.70117	0.9
279.06207	4.7
279.09052	1.5
283.06741	1.0
283.09552	5.9
284.09180	4.2
285.03922	3.2
285.09940	16.6
293.08084	19.2
294.07950	1.9
295.08450	4.4
296.06573	1.9
299.09131	4.8
300.12308	41.4
301.07147	1.0
301.12683	2.5
310.10736	12.4
311.09082	22.7
312.09314	2.0
313.03372	13.9
314.04120	6.9
328.11783	100.0
329.06552	86.9
329.12201	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	328.118
Annotation	Terrestriamide
Peak:m/z	Relative Intensity
59.06511	0.2
63.02379	0.6
64.08427	0.2
65.03960	0.5
67.05518	0.3
69.21069	0.3
69.29169	1.9
89.03919	8.5
90.04314	0.3
91.05486	1.4
93.07058	0.4
98.98470	26.1
103.05464	0.4
105.07059	0.4
106.04173	0.7
109.74889	0.2
115.05462	1.2
116.99481	0.8
117.03384	27.8
117.07034	0.4
118.03709	0.7
119.04951	0.6
121.06516	0.5
121.10123	0.3
123.04452	0.7
131.04950	0.7
133.06516	0.3
134.03624	1.8
135.04437	2.2
137.02333	0.6
137.05963	2.5
142.57686	0.3
143.04916	1.5
145.02852	64.2
146.03168	2.1
149.05984	8.5
151.03961	0.5
151.07562	0.4
153.01813	0.7
160.03928	0.3
161.05988	2.2
162.03204	0.4
163.03911	1.1
164.07056	0.3
174.99240	2.1
175.03960	0.6
175.07544	0.8
175.99603	0.3
176.04266	0.6
176.98903	0.9
177.05472	100.0
178.05942	3.1
186.05432	0.7
200.15189	0.3
204.06549	1.1
205.06604	0.4
205.08609	0.3
215.39914	0.3
217.04947	0.6
235.07613	0.3
251.07011	0.5
252.99809	0.4
268.09750	0.5
278.05670	0.5
278.08496	0.3
286.04730	0.3
290.38739	0.3
293.08157	0.5
300.12234	0.6
301.06912	0.5
311.09024	1.3
314.04141	0.3
328.08762	0.7
328.11932	5.0
329.03024	0.4
329.06577	4.0
329.10349	0.5
329.12262	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	328.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27697	0.6
65.03938	1.1
70.04819	1.9
72.08139	0.7
72.59679	0.7
79.05515	1.1
81.07037	1.0
86.09694	1.4
89.68275	0.7
91.05486	4.0
94.04171	1.1
95.04955	1.5
98.23267	1.2
98.98471	68.4
103.05490	2.7
105.07039	1.9
109.06510	1.5
115.05465	5.4
116.99505	1.9
117.42905	0.7
119.04952	1.9
120.08071	0.7
121.06513	1.5
122.03661	4.2
123.04419	2.4
131.04955	4.5
133.06509	1.4
136.05212	1.0
137.02428	0.8
137.05988	50.4
138.06326	2.0
143.04929	7.1
145.02904	1.4
145.05206	1.1
146.06018	1.6
147.04428	2.9
148.07626	1.3
149.05989	6.0
150.06699	1.0
151.03905	1.7
151.07559	2.0
152.07098	1.4
155.83202	0.7
158.06052	1.1
161.05963	5.8
162.05499	7.4
163.06300	8.2
164.07082	13.5
165.07040	1.0
167.03409	0.9
167.10637	0.9
174.99266	4.9
175.03920	0.8
176.07132	4.7
176.98894	1.1
177.05475	2.5
177.07018	3.1
178.05051	1.1
179.08522	1.6
186.05484	1.2
189.07014	0.6
190.05061	1.4
192.06497	2.1
195.07983	0.8
203.03459	0.7
204.06520	2.1
204.08215	1.1
205.06471	11.1
207.08063	2.3
210.06815	1.2
211.07556	1.5
214.08609	1.6
221.06050	1.7
222.06778	2.9
222.08917	0.9
223.07536	8.7
224.08266	0.9
227.07004	0.7
228.10213	1.6
232.07753	1.1
233.05998	5.7
234.06758	1.5
235.07478	0.9
237.09161	1.9
238.08514	1.2
239.07037	1.3
240.10078	0.9
242.08093	0.8
249.05554	0.9
249.07881	2.3
250.06242	9.4
250.08691	6.4
251.07057	15.5
252.07675	2.5
253.08569	1.9
254.05212	0.7
256.09750	1.7
261.05688	1.2
262.08707	1.2
263.07242	0.8
265.08649	7.7
266.08237	2.0
267.06461	1.9
267.08908	1.5
268.07117	1.7
268.09698	13.1
269.10391	1.1
278.05692	10.0
278.08212	8.5
279.06464	4.9
279.08951	1.7
280.07178	0.8
283.09735	6.6
284.09299	3.9
285.09930	16.1
286.10440	0.8
293.08102	19.9
294.08167	1.7
295.08505	4.3
296.09418	1.2
299.09283	6.1
300.12317	42.4
301.12653	2.8
310.10739	10.7
311.09070	17.8
311.12305	1.2
312.09637	1.1
313.03345	2.1
314.04199	2.5
328.05338	7.7
328.11795	100.0
328.28491	1.1
329.06589	12.2
329.12155	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	328.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32102	0.8
53.03947	1.1
55.01866	4.4
55.05500	1.0
56.69039	0.8
57.03434	3.4
61.02928	2.6
69.03438	6.3
70.06592	13.0
72.08165	2.9
73.02924	2.0
81.03436	2.3
85.02903	25.5
86.09708	2.4
89.78438	0.7
90.38934	0.7
91.05490	1.3
94.06567	6.8
97.02879	4.0
98.98466	39.4
99.04472	1.4
103.05487	1.1
106.06569	6.7
109.02880	3.2
117.07032	1.2
118.06573	2.2
120.04465	2.7
120.08145	2.4
127.03983	3.8
130.06528	44.2
131.06891	1.9
132.08113	1.3
136.07581	2.9
143.07280	0.9
144.08083	14.1
145.05099	1.1
146.05998	2.8
148.07571	100.0
149.07904	3.7
153.51622	0.8
158.06044	3.0
159.06808	2.2
160.07588	3.4
162.09193	1.1
166.08641	26.8
169.13411	2.7
172.07611	2.5
174.99281	2.5
176.99010	0.9
185.68544	0.8
190.08646	3.1
196.07640	1.2
197.12839	1.7
214.08745	1.0
215.13945	1.7
226.08644	7.2
228.09903	0.9
229.15669	1.9
244.09727	3.7
252.99565	0.9
256.09668	0.9
273.32590	0.9
274.10681	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	328.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85753	0.5
58.99589	2.7
61.98977	0.6
66.12707	0.6
67.05511	1.4
68.41132	0.5
69.03431	100.0
69.29945	2.7
69.41534	0.5
70.03764	1.5
70.06605	0.7
74.38521	0.5
76.02238	11.8
82.63583	0.5
83.04987	2.3
89.03923	2.9
93.07047	1.3
95.08614	1.0
98.98470	9.8
109.02892	2.5
109.10178	5.0
113.00595	5.4
113.04276	0.6
117.03378	10.3
121.06573	0.7
121.10155	1.2
122.02727	4.0
123.08105	1.7
130.94774	0.6
137.05988	0.7
137.09627	0.7
139.11182	20.9
140.11626	0.7
144.04823	2.3
145.02843	22.8
146.03215	1.0
149.05975	2.6
149.09885	0.7
151.07536	9.4
161.05980	0.9
165.03236	0.5
174.99223	0.8
177.05473	41.0
178.05835	1.5
183.04747	8.7
190.05353	1.4
204.06628	1.2
207.13806	43.7
208.14189	2.2
239.10999	8.7
282.15125	0.7
328.12097	0.9
328.15753	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	328.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.33197	0.4
55.01880	0.6
55.05511	3.1
58.99583	4.2
59.04996	1.2
65.03944	4.0
67.05507	3.9
69.03429	69.5
69.07068	1.1
69.61219	1.1
69.61622	1.9
70.03766	0.8
70.06593	1.6
72.08151	2.8
73.01151	0.9
73.06548	1.5
76.02226	25.4
79.05486	5.4
81.07075	2.4
82.04211	1.3
83.04969	2.5
84.04508	0.9
84.67439	0.5
85.01136	0.8
85.02904	3.3
86.09705	5.7
86.99056	1.3
87.04473	1.9
88.03989	3.1
91.05460	2.9
93.03425	0.8
93.07034	5.2
95.04973	1.8
95.08606	9.9
97.02891	1.1
97.06506	1.5
98.98463	37.2
101.00598	0.9
103.05470	4.1
105.00121	2.4
105.04552	0.6
105.07030	21.8
106.07903	1.0
107.04969	1.4
107.08601	1.3
109.02879	17.0
109.06523	1.5
109.10152	2.1
110.03649	1.5
111.04489	0.7
116.07104	4.0
116.99506	1.1
118.34550	0.5
119.01635	3.8
119.08572	6.0
120.08105	22.5
121.10139	100.0
122.02728	16.3
122.10478	3.8
123.04401	0.6
123.08064	25.1
123.11720	0.7
124.08408	0.9
125.05975	1.0
125.09628	1.5
130.05002	2.0
130.06490	0.9
133.06488	4.0
133.07610	1.8
136.07561	1.3
137.09610	1.4
137.13239	1.3
139.11150	2.1
142.02609	1.7
144.04762	2.6
147.04448	0.5
147.11700	3.0
148.07584	1.4
149.09599	1.3
149.11740	0.7
151.07536	80.3
152.07913	3.0
153.05412	1.0
155.05325	0.6
161.13264	1.1
163.11188	7.9
165.05510	0.5
165.09077	2.8
165.12746	8.7
167.05261	26.8
168.05583	1.1
171.06570	1.6
172.04239	1.1
174.99249	2.8
176.99040	0.8
181.04953	54.3
182.05305	2.7
182.08185	0.9
183.04741	6.5
185.16473	1.9
189.12703	3.7
190.05328	5.7
191.03674	2.5
195.11894	0.7
197.09950	14.0
197.11765	0.7
198.10280	0.8
207.13800	13.9
208.14145	0.7
215.13690	0.7
221.10008	0.5
223.11481	0.9
239.11002	9.7
243.07428	0.6
254.08508	2.0
272.09500	10.7
285.08313	1.3
310.37833	0.6
311.50467	0.6
328.15717	3.0
329.07220	1.4
329.11655	1.2
329.15253	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	328.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.8
57.07073	2.7
67.05509	3.2
69.03426	1.6
69.04691	8.2
71.04997	1.2
79.05544	1.2
81.07054	3.4
83.06123	1.0
85.02895	4.0
85.06556	7.8
88.90913	1.0
95.04996	5.7
95.06092	1.9
96.06863	7.9
97.07671	2.3
98.98469	100.0
103.07584	49.2
104.07939	1.2
109.07640	46.8
113.06007	14.1
116.99537	1.4
124.08740	1.7
126.10297	3.6
127.03900	1.2
137.06024	1.0
145.04988	1.3
149.08119	14.1
153.01878	1.4
153.06592	6.4
166.09842	2.9
168.11349	10.6
169.59836	1.0
170.09222	4.1
174.99200	7.4
176.98935	2.7
212.10316	15.7
224.92952	1.3
266.18634	3.3
268.16852	1.2
284.28107	1.1
286.17709	1.1
310.17648	15.5
328.18665	50.1
329.19046	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	328.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41563	0.8
56.80800	0.8
59.05003	13.8
60.13746	0.8
64.49663	0.9
65.03951	1.3
65.51008	0.8
67.05502	1.3
69.03445	1.7
70.06596	0.9
70.54582	1.8
72.70300	0.8
73.06558	27.2
77.22706	0.9
85.02905	3.9
86.09724	1.6
95.04973	0.9
97.06530	0.9
98.98467	100.0
105.06951	1.0
108.02931	0.8
116.07063	0.9
116.99516	2.3
117.09139	3.1
120.08104	5.7
131.10625	1.7
149.11745	8.8
171.06516	0.8
174.99222	7.8
176.98947	3.2
181.04971	31.8
182.05316	1.3
197.06793	1.1
226.50624	0.9
243.07504	2.7
285.08417	11.2
311.06238	1.1
329.07629	1.2
329.11920	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22708	0.7
55.05516	0.9
63.59751	0.7
67.05498	2.1
69.07056	1.7
69.66754	0.7
77.01585	0.9
79.05501	1.8
80.84689	0.7
81.07051	2.5
82.07455	0.7
91.05490	3.0
93.07043	1.4
93.48861	0.8
95.08627	1.2
98.09700	1.6
98.98473	100.0
99.98711	0.6
100.98915	0.7
105.07065	1.2
107.08594	1.2
109.10166	0.8
116.99529	2.8
119.08596	0.8
135.08055	1.1
135.11693	0.8
136.08417	0.9
140.01045	1.2
157.94344	0.8
174.99196	8.7
175.00401	0.8
176.98962	3.2
252.99741	1.0
269.10489	0.7
275.20328	0.9
328.18839	20.6
328.28366	0.7
329.19189	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01445	1.2
55.05500	2.1
57.03443	1.4
65.05088	1.2
67.05499	2.5
69.07053	2.2
77.29797	1.2
79.05496	2.8
81.07050	6.5
83.08697	1.4
84.36577	1.2
91.05479	2.3
93.06496	1.3
93.07063	3.7
95.08572	1.5
98.09698	3.7
98.98469	100.0
105.07043	2.4
105.25114	1.3
107.08575	1.7
116.99502	2.0
119.08572	2.5
121.10146	2.1
135.11711	1.9
163.11115	1.4
173.13210	1.3
174.99269	6.3
176.98941	2.6
181.12315	1.8
226.08688	1.4
253.89920	1.2
258.86328	1.4
263.20187	1.4
275.20026	1.3
295.49612	1.4
315.79211	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.2
66.92441	0.9
67.05509	2.2
69.03429	1.5
69.07065	1.5
69.77701	2.7
79.05505	4.9
81.07061	2.6
83.08625	6.9
91.05489	2.0
93.07056	1.8
95.04958	0.8
97.10164	9.6
98.98470	100.0
100.98930	0.9
105.07051	3.1
107.08602	14.1
116.99513	2.1
119.08612	1.4
125.09645	8.7
133.10085	1.7
135.07982	0.8
145.10149	1.3
147.11728	1.5
153.09096	0.8
158.52704	0.7
159.79298	0.7
161.13309	0.8
174.99223	5.7
176.98924	3.4
177.05472	0.9
178.54463	0.7
180.19051	0.6
189.11220	15.6
191.82199	0.7
257.19189	1.0
275.20093	8.5
319.71277	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
64.79572	0.6
67.05496	6.8
69.07067	1.9
70.34409	2.2
72.14137	0.7
73.54131	0.6
79.05503	5.4
81.03418	0.8
81.07072	4.3
83.04966	0.8
91.05492	3.3
93.07049	3.3
95.04974	2.0
95.08604	2.8
97.06525	1.1
98.98470	100.0
105.07034	2.9
107.08607	2.9
109.10163	3.1
115.05386	0.8
116.99521	2.4
119.08586	3.0
121.10120	1.9
125.09646	0.9
131.08615	0.8
137.09613	1.6
147.11662	1.0
154.12273	1.1
171.17343	0.8
172.13298	1.8
173.11739	1.4
174.99226	6.8
176.98969	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	329.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65019	0.6
65.03985	0.7
69.03418	2.6
69.20852	1.6
69.21258	3.3
75.25300	0.6
79.01855	6.3
79.05501	1.4
81.03422	0.8
81.07046	0.9
81.11095	0.8
85.02927	3.2
86.09708	2.9
87.13360	0.6
91.05484	2.3
93.07056	2.3
94.16385	0.7
95.01335	2.4
97.02901	2.0
98.98469	68.9
105.03443	1.1
105.07072	0.6
107.01352	1.0
107.04964	1.9
113.02390	0.8
115.51461	0.6
116.99487	1.4
117.03358	1.2
119.04957	2.1
121.02865	4.7
121.06530	0.6
121.10128	3.9
125.02346	3.4
127.03876	1.4
134.03714	0.9
135.04433	1.2
136.03917	1.4
139.03893	2.3
141.01837	6.2
143.03419	6.0
145.02850	2.3
147.04434	3.3
149.02347	0.9
149.09592	1.1
151.03920	1.5
153.01836	100.0
153.02922	6.2
154.02177	2.5
162.03102	1.0
163.03922	8.3
165.01833	0.7
167.03430	2.8
174.99207	3.6
175.03961	2.9
176.98996	2.0
177.05452	3.5
179.03380	7.8
183.02882	1.0
191.03398	14.5
192.03703	1.0
193.04926	1.5
195.02898	7.7
203.03401	0.7
205.05028	1.2
207.02901	4.7
208.03676	6.9
209.04442	8.3
219.02953	3.4
223.02339	1.2
227.06839	0.7
231.02919	1.1
236.03192	3.8
237.03903	9.8
247.02386	2.6
247.07599	0.7
249.03949	1.9
252.99908	0.8
255.06523	1.0
265.03473	6.3
267.05035	5.0
275.01801	3.0
283.06094	2.0
299.05389	1.9
300.06155	2.1
329.06610	16.8
330.06995	0.9
334.09045	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	329.0656
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
57.99981	0.3
65.03951	0.4
67.25220	0.3
68.99794	7.2
69.06423	2.5
73.57436	0.3
85.61215	0.3
85.61803	0.3
91.05504	0.3
98.22497	0.4
98.98466	14.1
100.46836	0.3
101.02381	1.8
116.99571	0.4
117.07027	0.3
121.06528	0.3
123.04452	2.4
131.04953	0.4
135.04413	0.8
136.05203	0.3
137.06015	2.1
138.06277	1.7
139.05449	0.6
141.05301	0.3
145.02823	0.3
145.06555	0.6
147.04417	2.0
155.04904	0.8
157.06508	0.4
161.02390	0.8
163.03925	0.5
163.06262	0.4
164.07054	0.7
165.07443	0.4
167.03410	2.7
167.04799	0.6
169.06512	0.5
171.04417	1.1
173.05995	7.9
173.09467	0.3
174.99251	0.8
175.03934	0.7
176.98967	0.5
177.05447	0.7
183.04395	0.6
184.05161	0.4
185.05988	2.6
187.05185	0.5
188.04663	0.6
189.01868	1.2
189.05348	0.5
197.05928	1.0
199.03912	1.3
199.07530	0.5
200.04543	0.6
201.05470	9.6
202.02597	0.7
202.05836	0.4
203.03395	7.8
203.07138	1.2
206.06882	1.1
207.02797	0.4
213.05478	6.1
213.07346	0.6
214.06079	0.5
216.04219	0.3
218.05702	1.2
224.07997	0.5
227.03404	1.3
227.07056	0.9
229.04948	0.4
231.06577	1.0
233.08022	1.7
240.04182	0.4
241.04944	1.6
242.05849	0.5
244.03784	0.4
245.08197	1.3
251.06870	0.9
252.07384	1.3
255.06552	0.5
258.05389	0.5
259.06033	9.2
260.06381	0.7
266.08817	0.5
268.03708	0.6
269.04416	2.7
269.10071	0.8
273.07492	2.0
279.05948	0.5
279.08685	0.5
283.06088	0.6
284.10065	0.4
285.03983	4.1
286.04565	1.9
286.10400	0.9
287.05115	0.4
294.08374	1.4
295.67459	0.3
300.09503	0.6
301.07236	1.5
301.12668	3.4
311.11273	0.4
312.09497	1.4
313.03424	19.4
314.04172	10.1
315.04285	0.4
329.06561	100.0
329.12152	6.3
330.06854	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	329.0656
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.01880	0.3
56.09341	0.2
68.99796	4.8
69.39333	0.5
69.39745	1.0
84.38622	0.2
89.74319	0.2
89.95898	0.2
98.98470	7.5
101.02384	1.3
107.04996	0.5
111.00842	0.4
115.05528	0.3
123.04406	1.2
131.04948	0.7
133.02835	0.4
135.04411	0.5
137.05959	0.4
139.05510	0.3
145.06528	0.2
147.04414	1.5
151.03995	0.3
153.01854	0.3
155.04927	4.1
156.05348	0.2
157.06479	0.4
161.02364	0.7
161.06017	0.3
164.85707	0.3
167.03424	1.8
167.04939	1.1
169.06570	0.3
171.04445	0.6
171.08046	0.2
173.06024	1.3
174.03139	0.7
174.99220	0.4
175.03983	1.0
176.04710	0.6
176.59586	0.2
178.06854	0.2
179.17686	0.2
183.04425	3.2
185.06012	1.5
187.07486	0.2
188.04669	0.5
189.05518	0.3
195.04446	1.3
197.05962	0.4
199.03949	1.5
199.07640	0.5
200.04707	0.3
201.05490	3.4
202.02586	1.2
203.03397	4.7
203.07085	0.5
203.97874	0.2
207.97916	0.2
212.04761	0.3
213.03560	0.4
213.05450	2.9
218.05739	1.6
220.03566	0.6
223.03925	0.8
227.03497	0.4
227.07056	1.0
229.04950	0.5
230.05891	0.4
231.06567	0.8
233.08174	1.0
237.05411	0.3
240.04210	0.4
241.05019	1.5
242.05589	0.3
244.03668	0.5
245.08083	0.7
251.03297	0.3
255.06497	0.7
258.05420	0.5
259.06033	4.2
268.03738	0.9
269.04459	1.7
273.07565	1.2
283.06067	1.0
285.03955	5.6
286.04709	5.6
287.05023	0.3
297.03979	0.4
301.07047	0.8
313.03433	20.5
314.04184	19.5
315.04541	1.4
329.06567	100.0
330.06931	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	329.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.09341	0.2
68.99796	4.8
69.39333	0.5
69.39745	1.0
84.38622	0.2
89.74319	0.2
89.95898	0.2
98.98470	7.5
101.02384	1.3
107.04996	0.5
111.00842	0.4
115.05528	0.3
123.04406	1.2
131.04948	0.7
133.02835	0.4
135.04411	0.5
137.05959	0.4
139.05510	0.3
145.06528	0.2
147.04414	1.5
151.03995	0.3
153.01854	0.3
155.04927	4.1
156.05348	0.2
157.06479	0.4
161.02364	0.7
161.06017	0.3
164.85707	0.3
167.03424	1.8
167.04939	1.1
169.06570	0.3
171.04445	0.6
171.08046	0.2
173.06024	1.3
174.03139	0.7
174.99220	0.4
175.03983	1.0
176.04710	0.6
176.59586	0.2
178.06854	0.2
179.17686	0.2
183.04425	3.2
185.06012	1.5
187.07486	0.2
188.04669	0.5
189.05518	0.3
195.04446	1.3
197.05962	0.4
199.03949	1.5
199.07640	0.5
200.04707	0.3
201.05490	3.4
202.02586	1.2
203.03397	4.7
203.07085	0.5
203.97874	0.2
207.97916	0.2
212.04761	0.3
213.03560	0.4
213.05450	2.9
218.05739	1.6
220.03566	0.6
223.03925	0.8
227.03497	0.4
227.07056	1.0
229.04950	0.5
230.05891	0.4
231.06567	0.8
233.08174	1.0
237.05411	0.3
240.04210	0.4
241.05019	1.5
242.05589	0.3
244.03668	0.5
245.08083	0.7
251.03297	0.3
255.06497	0.7
258.05420	0.5
259.06033	4.2
268.03738	0.9
269.04459	1.7
273.07565	1.2
283.06067	1.0
285.03955	5.6
286.04709	5.6
287.05023	0.3
297.03979	0.4
301.07047	0.8
313.03433	20.5
314.04184	19.5
315.04541	1.4
329.06567	100.0
330.06931	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	329.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27402	0.8
61.10560	0.7
61.58302	0.7
70.30849	1.2
70.31182	1.9
70.39893	0.8
79.42233	0.8
84.01572	0.7
91.05478	1.0
98.56416	0.8
98.98471	57.7
102.87561	0.8
110.35615	0.8
119.80034	0.7
120.08121	2.4
121.06532	0.9
127.00084	0.9
133.02858	3.2
135.04411	0.9
144.82851	0.9
149.06023	2.4
164.32169	0.8
165.05496	1.1
174.99257	4.1
176.98952	1.3
197.06863	19.3
198.05302	3.2
198.06973	0.9
223.08467	1.3
225.06351	3.3
239.37511	0.9
243.07408	16.9
267.07458	2.6
268.59021	0.8
283.70770	0.9
285.08463	100.0
286.08878	6.2
311.06351	1.7
315.28592	0.9
329.07468	18.2
329.11838	2.3
329.19421	2.3
329.28003	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	329.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29558	1.1
52.36694	1.1
53.13281	1.0
53.76679	0.9
60.09800	1.3
69.67308	3.7
69.67714	2.6
78.48241	1.1
98.97863	2.0
98.98476	33.7
149.06007	1.4
174.99232	2.4
197.06874	16.3
198.05252	4.0
209.08134	3.4
225.06322	1.7
243.07417	20.5
267.07376	2.8
285.08466	100.0
286.08771	4.3
311.06229	3.0
329.07440	17.7
329.11346	2.0
329.27737	1.3
330.07785	1.4
330.90109	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	329.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03942	2.1
55.01875	1.5
58.69372	0.4
64.89153	0.4
65.03945	1.3
65.79047	0.4
66.04711	0.6
67.05505	0.8
69.55697	2.1
79.05494	2.6
81.03435	0.4
81.07062	1.5
83.04964	0.4
91.05488	9.7
93.07048	5.8
94.04195	3.2
95.04975	2.1
98.98470	100.0
100.13512	0.4
100.98898	1.0
103.05474	7.3
105.03358	0.6
105.04505	1.2
105.07030	5.4
107.04971	2.1
107.63976	0.4
109.06517	3.1
111.04471	0.8
115.05464	4.0
116.99514	3.0
117.03387	0.5
117.07020	1.9
119.04980	2.3
119.08580	1.1
121.02864	0.6
121.06509	17.3
122.03652	6.3
122.06876	0.5
123.04398	1.0
123.08057	0.6
128.06187	0.9
129.06999	1.8
130.04175	1.0
131.04961	2.4
132.05719	1.2
133.02867	0.8
133.06514	4.1
135.04390	1.0
137.05981	60.4
138.06331	1.7
138.09181	0.8
140.01067	0.7
142.57619	0.4
143.04971	2.4
143.05949	0.6
144.05690	1.1
145.06512	1.9
147.04391	2.6
147.08037	1.4
148.05194	0.4
149.05986	14.5
150.06306	0.5
151.03911	4.3
151.04991	0.8
151.07561	1.7
152.04648	1.6
152.06204	0.5
153.06976	1.3
155.04962	1.2
159.08052	1.6
160.05222	1.1
161.05984	15.2
162.06790	6.0
163.03946	0.8
163.07524	1.0
164.07057	5.3
165.05501	1.5
165.07001	4.1
166.07669	1.0
167.07037	2.2
167.08450	0.8
169.06487	0.5
171.04358	0.5
171.08069	1.8
172.05101	0.5
174.99240	8.7
175.07555	11.9
176.07990	0.5
176.98927	3.9
177.05429	0.7
177.09026	0.6
178.07802	2.3
179.07101	0.6
179.08540	4.2
180.09346	0.5
181.06500	2.4
181.77629	0.4
182.07236	1.1
183.04543	0.5
183.08080	1.2
186.33559	0.5
187.07561	5.1
189.07010	1.7
189.09087	0.6
190.07776	5.5
191.06972	0.8
191.08556	10.9
192.07434	0.5
192.08943	0.5
193.06496	1.9
194.07248	1.6
195.08017	1.7
197.05995	1.4
198.06683	0.7
205.06544	1.0
205.08620	2.1
206.07196	0.7
207.08038	4.5
208.08748	1.9
209.06035	0.7
209.09546	1.0
210.06775	3.0
211.07567	1.7
212.08272	0.5
213.09126	0.7
213.16406	0.6
218.07281	3.0
219.08063	13.5
220.08640	1.7
221.05966	1.4
221.09483	0.5
222.06699	0.6
223.07469	1.2
223.11130	0.8
224.08264	0.8
225.05620	0.7
225.09097	1.6
226.06226	0.8
226.09891	1.7
227.07004	1.2
229.07576	0.5
233.09586	0.6
235.07526	3.4
236.08363	3.0
237.08986	1.8
238.06192	1.9
239.10619	0.7
240.07776	0.6
241.08530	1.2
247.07596	5.4
248.08203	1.2
251.06859	0.7
251.10667	15.6
252.07726	0.5
252.11044	1.1
252.99828	0.7
253.08586	4.5
261.09061	0.9
264.07767	1.9
265.08563	1.7
266.09335	1.3
267.10165	1.4
268.07269	0.6
269.08069	1.2
269.11722	5.5
270.08710	1.2
279.10168	10.5
280.10718	1.7
281.08075	1.3
283.09589	2.4
283.12900	0.7
285.11136	1.6
286.08002	0.5
296.10306	0.9
297.07834	0.8
297.11176	3.1
299.12714	1.2
301.10593	1.2
311.12784	5.1
315.08643	1.3
329.10046	3.7
329.13788	2.1
329.28104	0.6
330.10416	0.8
330.13876	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	329.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.8
69.14828	2.7
69.15234	6.2
88.07617	2.8
91.05489	22.6
96.50225	1.5
98.98466	100.0
105.07022	2.1
116.99493	3.0
119.08659	1.7
144.90471	1.4
153.85561	1.3
174.99257	6.0
176.98911	4.1
181.10139	2.0
238.12225	2.8
294.66086	1.7
311.31467	2.3
329.20850	96.7
330.18100	10.7
330.21634	3.7
330.33633	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.5
53.03949	2.8
55.01876	0.9
63.02387	0.6
65.03941	5.4
67.05508	0.5
68.99800	0.6
69.07073	0.3
69.78752	0.3
72.04411	0.4
72.08140	0.4
77.03916	0.4
79.01846	0.5
79.05495	0.5
81.03417	3.0
91.05486	8.6
92.05825	0.5
93.03388	1.5
93.07049	14.1
93.90920	0.3
95.04964	3.5
98.98468	14.7
103.05469	11.5
104.05828	0.5
105.04514	1.1
106.83509	0.3
107.04906	0.4
109.02888	5.4
111.04460	2.6
116.99524	0.4
119.01302	1.6
119.04963	0.5
121.02879	22.0
121.03982	2.3
121.06509	86.2
122.03223	0.7
122.06863	2.9
128.97665	0.3
135.04436	0.4
136.07608	0.3
137.02354	1.7
137.05991	1.3
138.09143	5.5
145.02977	0.3
146.06009	0.4
147.00777	1.3
149.02338	1.3
149.05992	0.7
151.03923	4.8
151.05074	0.6
151.07547	0.5
164.07077	5.4
165.01840	27.0
166.02232	1.0
167.03415	1.5
167.07025	1.1
167.08427	0.3
168.03726	0.9
176.98918	0.7
177.05519	0.7
179.03378	6.2
185.04294	0.6
185.05925	0.4
186.06708	0.9
193.01331	100.0
194.01668	3.1
203.03503	0.5
205.35738	0.3
213.05518	0.5
214.06316	0.8
224.04817	0.3
242.05722	0.7
243.00314	0.3
270.05237	5.1
287.05460	0.6
297.03925	0.8
298.04761	1.7
299.05618	0.5
302.04153	0.9
312.08517	0.4
314.03699	0.4
315.05124	2.5
316.05893	0.9
330.06787	0.8
330.09915	6.5
330.13266	0.9
331.01190	0.4
331.08078	12.1
331.13550	6.1
331.17029	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	330.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
52.32556	0.3
63.02401	0.5
65.03948	0.5
70.02305	0.6
70.02706	0.5
81.07079	0.5
86.09716	0.6
89.03921	6.4
91.05482	9.6
93.07065	0.6
94.07405	0.4
95.04947	0.4
98.98474	8.6
103.05479	0.5
106.04179	0.4
109.06475	0.4
112.36558	0.3
115.02798	0.3
117.03385	24.1
117.58458	0.3
118.03709	0.5
119.04951	4.8
121.06499	2.1
129.04544	0.3
134.03651	1.7
135.04414	1.2
137.05144	0.2
137.05981	8.4
145.02849	55.8
146.03183	1.9
147.46150	0.3
149.05988	7.5
149.46568	0.3
152.35210	0.3
163.03896	0.6
166.12364	0.3
175.99620	0.3
177.05473	100.0
178.05820	3.1
186.05518	0.7
190.04854	0.3
194.08113	0.3
225.01810	0.3
271.02466	0.6
273.00336	0.6
282.70517	0.3
299.02136	0.3
300.99841	1.9
303.60797	0.3
316.02127	1.4
330.13327	3.5
330.20453	1.0
331.04449	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	330.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
63.41521	0.4
65.03923	0.6
67.05518	0.8
68.99786	0.5
69.27335	2.1
77.03927	0.6
77.99352	0.3
81.03424	0.7
83.04994	2.2
86.09717	0.7
89.03931	0.4
91.05486	5.2
93.07049	7.7
95.04968	1.1
98.22641	0.8
98.98467	9.5
103.05473	5.1
103.77560	0.4
105.04555	0.7
108.02103	0.7
110.03706	0.5
117.03400	1.9
119.04911	0.9
121.06510	100.0
122.06834	2.8
125.05985	0.5
127.03931	0.6
135.04410	0.5
136.09279	0.4
137.06058	1.0
138.09180	5.8
141.05463	1.0
145.02814	3.4
146.06050	1.1
149.05983	1.2
151.03920	40.4
151.05011	3.3
152.04344	1.2
152.10028	0.4
158.07236	0.9
164.07071	33.0
165.07463	1.0
167.07063	3.2
168.05757	0.5
177.05460	7.9
185.05969	0.6
186.06723	2.6
193.05026	0.6
196.05254	1.1
197.05989	0.6
203.03419	0.7
206.08066	2.6
213.05531	1.5
214.06241	1.3
224.04739	0.5
224.09186	1.2
225.05286	0.9
242.05746	2.6
253.05009	0.8
269.04608	0.5
270.05255	14.6
270.08163	0.8
273.04025	0.5
285.03928	0.8
286.04819	0.9
287.05536	3.2
292.72427	0.5
297.03903	2.4
298.04697	5.7
299.05536	1.7
302.04083	1.3
315.04956	6.4
315.08383	0.8
316.05750	3.1
330.13434	11.4
330.24323	0.9
331.08121	37.0
331.66714	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	330.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
55.01876	0.6
70.55547	0.8
77.03931	0.5
78.65256	0.3
79.05495	3.6
91.05485	7.2
93.07050	10.9
94.32380	0.4
95.04980	2.6
98.98467	7.8
103.05474	7.5
105.04542	0.8
107.04970	6.7
107.05686	0.4
110.35883	0.3
119.04955	2.1
121.06510	100.0
122.03642	0.7
122.06845	3.2
123.04424	3.8
132.75494	0.4
133.02858	6.3
133.34254	0.4
135.04428	7.8
135.05405	0.7
137.05991	3.7
138.09151	2.3
146.06007	3.0
147.04408	0.6
149.05974	4.5
150.03133	0.9
152.04694	18.3
153.05023	0.5
153.06979	0.7
157.06503	0.5
164.07072	41.4
165.05537	3.2
165.07268	1.8
166.08664	0.7
166.37567	0.3
167.07051	16.1
168.05759	0.7
168.07390	0.6
169.06503	0.5
176.98872	0.7
177.06982	0.5
181.06525	0.9
182.07272	0.5
183.08005	0.8
185.05899	0.5
192.50417	0.3
194.07388	0.3
196.05322	0.7
197.06044	0.5
198.06902	0.5
199.07555	0.4
207.04329	0.4
210.06746	0.7
211.07509	0.9
225.05478	0.5
226.06395	0.4
227.06999	0.6
228.07726	0.4
230.05783	0.5
237.05386	0.5
238.06244	0.5
239.07072	0.5
243.10210	0.5
245.08163	0.3
253.05074	0.4
271.09714	0.6
273.07608	0.4
330.13547	3.2
331.08322	0.6
331.11755	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	330.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03953	1.8
55.01884	0.3
59.39354	0.2
62.16241	0.3
65.03944	0.3
69.38914	0.7
69.39328	1.3
71.07373	0.3
74.72156	0.3
77.03922	0.6
79.05492	3.4
81.03450	0.3
91.05485	7.3
93.07050	11.0
95.04979	2.6
98.97480	0.4
98.98472	8.0
103.05466	8.0
104.05827	0.4
105.03412	0.4
105.04531	1.0
106.04156	0.3
107.04966	6.8
119.04951	1.7
121.06512	100.0
122.03635	0.5
122.06833	2.4
123.04430	4.0
124.05233	0.6
128.06314	0.3
133.02853	7.0
133.03790	0.6
135.04430	8.3
135.05399	0.6
137.05975	4.0
137.06908	0.4
138.09128	1.6
146.06021	3.1
147.04428	0.6
149.05981	5.3
149.07100	0.5
149.26646	0.3
151.03839	0.5
152.04694	19.5
153.06995	0.8
157.06468	0.7
161.05983	0.4
164.07074	49.2
165.05661	1.5
165.07347	2.0
166.08640	0.9
167.07054	19.5
168.05762	0.7
168.07332	0.6
171.08012	0.3
181.06442	0.6
183.08035	0.9
185.06058	0.6
196.05220	0.4
197.06055	0.9
198.06776	0.4
209.06017	0.5
210.06766	0.7
211.07542	1.3
213.05505	0.7
213.09032	0.5
214.06223	0.6
217.04965	2.6
223.07764	0.3
225.09171	0.6
227.06865	0.5
228.07794	0.7
230.05798	0.7
237.05588	0.4
238.06302	0.7
241.04878	0.4
241.08577	0.4
245.04469	3.6
256.07361	0.4
257.04498	0.4
270.05261	0.7
271.09601	0.3
273.03909	3.3
287.05499	0.9
288.06418	0.5
298.04724	0.4
300.02661	0.6
301.03436	6.8
315.04999	4.3
315.08450	0.6
316.05783	17.0
330.13538	4.0
331.08075	27.0
331.11795	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	330.1335
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
54.53319	0.2
55.01865	0.2
60.04527	0.2
60.16722	0.2
63.02382	0.4
65.03930	0.5
69.70031	0.7
77.60146	0.2
78.04727	0.4
79.05499	0.5
81.07034	0.3
87.55212	0.2
89.03912	6.1
91.05483	10.7
92.05814	0.3
93.06987	0.4
94.40472	0.2
98.98467	3.2
103.05480	0.6
105.06980	0.3
106.04166	0.5
107.04950	0.4
109.06509	0.4
114.88432	0.2
117.03381	21.5
118.03729	0.7
119.04940	4.7
121.06511	2.8
123.04406	0.3
129.07011	0.8
133.10161	0.2
134.03621	1.6
135.04425	1.4
135.08043	0.3
137.05978	12.2
145.02844	52.9
146.03191	1.3
147.04442	0.3
149.05988	7.5
151.07552	4.3
152.04710	0.3
157.06416	0.3
161.06012	0.6
162.03131	0.4
163.03914	0.8
163.07555	1.2
164.07089	0.7
165.06966	0.4
167.07126	0.5
167.08566	0.7
170.52965	0.2
174.06685	0.2
174.99295	0.3
177.05467	100.0
178.05838	3.1
186.05493	0.6
189.09114	1.1
193.10144	0.3
194.08124	0.2
195.08054	1.2
195.11754	0.2
197.05981	0.4
210.06813	0.4
221.09506	0.5
223.07526	0.4
224.08327	0.2
225.09108	0.6
227.07114	0.3
227.10727	1.0
249.09149	0.2
253.08597	0.5
253.12305	0.6
255.10187	1.2
271.02585	0.3
285.11160	0.9
287.12766	1.7
300.99857	0.3
313.14084	0.4
316.02200	0.6
330.13388	3.1
330.20551	0.2
331.04562	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	330.1335
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
54.49381	0.2
56.66121	0.2
63.02379	0.5
65.03941	0.4
69.75614	0.6
69.76000	0.4
70.11428	0.2
71.02078	0.2
81.07037	0.2
86.09711	1.3
89.03916	6.5
91.04902	0.5
91.05483	10.0
98.98483	1.2
103.05502	0.3
106.04171	0.6
109.06499	0.5
117.03382	23.3
118.03706	0.7
119.04095	0.3
119.04958	4.7
120.05292	0.3
121.06459	0.3
134.03653	1.3
135.04428	1.2
137.05977	8.5
143.74721	0.2
145.02849	55.5
146.03162	1.6
146.11748	0.5
149.05986	7.2
151.07594	0.4
155.67711	0.2
157.13414	0.3
162.03159	0.4
163.03914	3.0
177.05469	100.0
178.05804	3.9
179.03409	3.0
186.05536	0.5
194.08182	0.4
200.81210	0.2
246.99962	0.2
287.05087	0.2
330.06973	0.4
330.13370	3.4
331.08060	0.2
331.13651	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	330.1337
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
53.57215	0.3
63.02368	0.5
65.03951	0.5
67.90224	0.3
69.67271	1.5
78.04710	0.4
89.03919	6.4
91.05486	8.5
92.05833	0.4
109.06562	0.4
117.03384	21.6
118.03728	0.8
119.04957	3.4
134.03633	1.4
135.04402	1.1
137.02319	0.5
137.05980	7.3
145.02850	49.5
146.03220	2.0
149.05988	6.7
151.07509	0.5
158.07254	0.8
160.58731	0.3
162.03212	0.4
163.03903	2.9
168.05719	0.4
177.05473	100.0
178.05826	2.8
185.05966	0.4
186.06854	1.6
196.05121	0.7
197.06017	0.5
203.03400	1.0
208.06226	0.3
213.05434	1.1
214.06264	1.4
224.04482	0.4
242.05684	1.3
252.04434	0.4
253.05037	0.6
267.20627	0.4
269.04459	0.7
270.05228	11.0
281.04657	0.4
285.04007	0.7
287.05453	1.4
297.03995	2.7
298.04785	4.1
299.05533	1.2
302.04071	1.1
315.05014	4.9
316.05765	2.7
330.13416	4.1
331.08118	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	330.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.3
57.03441	13.0
57.09449	1.6
59.05005	3.2
67.05509	2.7
69.03435	51.1
69.11364	14.7
72.41277	1.7
73.02925	5.5
84.08108	1.8
85.02907	43.2
87.04473	39.9
97.02284	2.8
97.02901	42.8
98.98473	100.0
99.04464	2.2
100.98891	2.6
109.02867	2.9
115.03941	63.1
121.06506	4.8
127.03901	5.7
133.04970	79.6
133.05966	4.4
145.04980	11.1
150.07643	5.4
153.01701	2.0
159.20111	2.0
163.06111	4.2
164.07143	2.5
167.07130	2.1
174.99278	2.7
176.98938	3.8
179.03394	10.0
216.38947	1.8
234.70090	1.7
243.79852	2.0
259.08215	3.3
277.09201	3.4
295.10373	4.5
318.08801	1.8
330.07086	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	330.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71812	1.3
51.35763	1.3
53.03964	1.3
55.05500	5.3
57.07076	3.4
58.99583	4.2
65.03960	1.3
67.05497	5.7
69.03430	76.5
69.07050	9.0
71.04979	1.5
72.08163	5.8
76.02231	7.4
79.05492	5.3
81.07061	9.4
81.40997	1.5
83.04975	7.1
83.08607	2.0
85.06548	3.2
86.09689	8.2
86.99067	2.4
91.05494	6.6
93.07044	11.6
95.04957	1.2
95.08601	18.6
97.06528	5.9
98.98463	13.1
105.00087	3.0
105.07045	7.0
107.08596	20.6
109.06538	8.7
109.10156	4.2
111.08064	3.0
119.08592	6.9
121.06512	3.9
121.10139	33.1
122.02728	41.0
123.08054	5.7
123.11701	12.0
125.09620	29.3
131.08551	9.2
133.10161	8.7
135.08040	20.1
135.11707	10.8
144.09351	2.0
145.10109	4.4
147.11673	6.1
149.09619	13.2
149.13261	5.1
151.11137	2.4
153.01852	2.5
153.09068	10.2
158.10898	5.3
161.09569	2.2
163.11180	3.7
163.14821	9.8
165.12773	4.7
167.10657	11.1
171.24574	1.3
173.13257	30.7
179.03400	17.5
185.16495	2.8
191.14307	100.0
192.14687	3.6
196.58435	1.2
199.11696	1.4
209.15366	90.9
210.15720	4.5
223.11502	1.5
241.12555	18.8
312.09036	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.9
57.03426	3.5
57.07085	5.4
60.04514	3.0
67.05506	12.8
69.07080	4.3
70.06599	6.4
72.08163	3.4
79.05476	5.3
81.07049	8.7
82.51140	2.4
87.04472	15.0
88.07632	8.3
91.05473	3.6
93.07036	4.7
95.08598	4.3
98.98470	100.0
101.06037	4.7
107.08599	2.3
109.10142	9.9
116.99566	2.2
119.08578	4.1
124.55826	2.4
143.01553	2.4
155.10631	2.5
162.93517	2.4
173.11748	11.9
176.98946	6.7
179.03506	2.9
206.52852	2.4
256.26251	2.8
268.30002	3.8
270.27988	4.7
277.21661	3.2
330.29990	23.4
330.33609	12.4
331.30307	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.6
55.83640	2.4
57.03433	5.5
57.07078	17.7
57.37581	2.5
58.06602	3.8
62.05758	2.7
67.05510	17.2
67.21651	2.3
69.07072	8.5
69.31425	15.8
70.06597	8.6
71.08645	6.4
72.08154	22.0
78.82985	2.6
79.05511	7.3
81.07065	11.6
83.08611	4.3
87.04477	30.0
88.07643	14.9
91.05499	9.2
93.07050	4.2
95.04972	2.7
95.08616	9.5
97.10151	3.7
98.98472	93.2
98.99128	4.7
101.06039	27.6
102.09190	5.7
105.07035	6.5
109.10162	8.8
111.08076	3.4
119.08674	3.7
121.10217	4.0
138.53098	2.6
154.12325	2.7
155.10689	3.3
156.17514	14.1
164.37527	2.5
170.19052	6.7
172.00870	2.7
172.13284	3.3
173.11829	8.2
174.99170	5.9
176.98907	5.1
179.03253	3.3
189.11276	3.6
212.22897	3.0
256.26300	12.4
268.30026	32.7
270.27997	4.3
277.21674	6.4
285.08817	2.7
290.32495	2.6
295.22665	4.8
330.29999	52.8
330.33707	100.0
331.18878	4.3
331.30273	5.0
331.34091	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	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52786	1.7
55.05512	3.0
57.07068	4.8
66.77437	2.0
67.05517	10.0
67.37839	1.9
69.07062	2.2
70.06573	4.1
70.77984	4.6
74.36987	1.9
80.94847	2.9
81.07069	5.2
83.04992	1.9
84.64474	2.5
87.04476	26.0
88.07623	8.2
91.05494	4.5
93.07057	4.8
95.08657	2.4
98.98475	100.0
101.06049	3.3
102.09200	3.5
109.10116	4.0
116.99498	2.9
172.13394	2.8
173.11679	3.2
174.99265	3.6
176.98930	5.7
186.06520	2.6
188.14601	2.1
193.92155	2.2
256.26221	2.9
268.30005	3.8
270.05258	4.8
270.27985	7.7
277.21506	3.0
285.63589	2.3
295.22531	2.6
313.22012	2.6
330.29999	25.8
330.33743	8.5
331.08160	14.2
331.18805	3.0
331.30396	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.6
55.05274	4.6
55.05515	49.2
59.05000	3.9
67.05499	11.4
68.69868	2.9
69.03440	5.9
69.07063	10.7
69.63849	14.6
79.05529	14.1
81.07068	14.6
83.08624	32.8
87.04479	4.7
91.05476	4.1
93.07043	7.8
97.10173	67.5
98.98476	74.9
107.08607	15.9
109.10155	3.7
120.02192	3.0
125.09628	58.5
135.08073	4.8
143.10719	3.3
149.47939	2.6
153.09134	3.8
167.24638	3.4
171.10182	7.5
189.11240	100.0
190.11545	3.9
270.27963	3.1
277.21667	46.4
295.22754	7.1
330.19492	5.9
330.30026	4.0
330.33557	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	331.0448
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.05484	0.4
65.03923	0.4
68.98174	2.6
71.08588	0.5
79.05453	0.7
79.88967	0.2
83.08603	0.3
85.02876	0.4
86.54372	0.3
89.03874	0.8
91.04990	0.3
91.05479	5.5
92.05785	0.5
94.04183	0.5
95.04950	0.7
98.98470	11.2
99.08075	0.4
100.98890	0.5
103.05434	1.3
105.06989	1.1
107.04906	1.1
109.06510	0.5
113.03863	0.4
113.06213	0.3
115.05432	1.0
117.03403	2.7
118.03675	1.3
119.04934	3.5
121.06520	1.7
122.03603	1.3
123.04375	0.3
123.11649	0.3
125.03792	0.3
128.06186	0.9
129.07008	2.6
131.04947	2.4
133.06508	0.5
135.04373	0.5
135.08034	0.6
136.05014	0.3
137.05978	11.9
138.06287	0.7
141.03317	0.8
143.04912	0.6
144.02017	0.5
145.02846	4.3
145.06491	0.5
146.03154	2.8
147.04379	0.7
149.05975	2.8
150.06332	0.5
151.03940	0.5
151.07547	13.1
152.06143	0.6
152.07867	0.6
155.04904	0.4
157.02861	0.3
157.06499	2.0
158.03621	0.4
159.04369	1.0
160.05051	0.3
161.05972	1.7
161.09560	0.6
163.03923	2.3
163.07545	3.0
164.04176	2.0
165.06943	1.7
165.09128	0.7
166.07733	0.4
167.08577	2.5
169.02840	1.1
172.01547	0.7
174.06744	1.2
174.99136	0.3
175.07455	0.9
176.04716	0.3
176.98885	1.0
177.05487	5.7
177.09131	0.3
178.05804	6.1
178.07726	0.9
180.05472	0.3
181.06453	1.0
182.07205	0.6
185.02313	0.4
186.03075	0.8
187.03864	1.3
189.01810	1.3
189.07530	0.5
189.09097	5.4
191.08528	0.4
193.06430	1.2
193.10117	0.9
194.07242	0.6
195.08089	3.4
196.08763	0.3
197.02299	1.1
197.05960	0.7
197.09424	0.4
198.03181	0.3
199.07616	1.1
200.00972	1.6
201.01604	0.9
203.03439	0.4
204.04153	0.8
207.10109	0.8
209.05936	0.3
209.09521	0.6
210.06766	1.4
211.07452	0.5
212.08258	1.2
213.01756	1.5
214.02614	1.6
215.03433	2.2
217.01334	2.7
218.01877	0.3
221.05946	0.9
221.09581	2.0
223.07529	1.6
224.08324	0.5
225.01830	13.4
225.09189	1.9
226.02049	0.7
227.07016	0.9
227.10663	4.2
228.00534	11.3
229.01033	1.1
229.08844	0.4
231.02876	0.4
232.03668	0.8
237.09120	0.5
238.06230	0.9
239.06952	0.7
240.07829	0.8
241.01326	0.9
242.02094	1.1
243.02861	1.6
245.00853	3.6
247.02328	0.6
249.09100	0.8
253.01329	13.7
253.08546	2.2
253.12224	2.1
254.01683	0.9
255.10188	4.3
256.00052	3.6
256.10522	0.5
257.00623	0.9
260.03159	2.9
267.10236	1.0
269.08151	0.7
270.01569	1.1
271.02377	24.4
272.02753	1.6
272.10440	0.5
273.00308	8.4
274.00717	0.6
281.11710	1.0
283.99527	6.8
285.00238	2.3
285.11240	3.0
287.12790	6.2
288.02744	0.6
298.01099	1.0
299.01859	49.9
300.02350	4.5
300.99780	17.9
301.14587	0.4
302.00098	0.9
309.32178	0.4
313.14374	1.5
316.02145	33.7
317.02454	1.8
331.04480	100.0
331.17343	8.0
332.04822	6.7
332.17664	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	331.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03942	0.1
55.01849	0.1
55.05510	0.1
60.04538	0.1
67.01880	0.1
67.05506	0.8
68.99787	0.7
69.03400	0.1
69.21996	0.3
69.22400	0.2
72.08180	0.1
77.03946	0.1
79.01859	0.8
79.05491	0.1
81.03415	0.2
81.07065	0.2
83.04974	0.2
86.09686	0.2
91.05472	0.2
95.04964	0.9
97.02898	0.1
98.98466	2.7
101.06018	0.1
105.03394	0.2
105.07028	0.1
107.01339	0.2
107.04906	0.2
109.02861	0.2
111.04428	0.2
114.77013	0.1
114.98147	0.1
123.04437	1.0
125.02378	0.5
129.05528	0.1
129.07057	0.1
133.02849	0.2
133.10106	0.1
137.02335	0.3
137.05974	0.2
141.77007	0.1
143.03392	0.9
144.62282	0.1
151.07556	0.3
153.01837	6.8
153.02950	0.6
154.02213	0.1
169.12251	0.1
174.99226	0.1
176.98889	0.2
177.05406	0.1
178.05789	0.1
179.03394	100.0
180.03734	3.8
189.09081	0.1
215.00340	0.1
221.10013	0.1
225.96544	0.1
227.10657	0.1
285.07895	0.1
285.11404	0.1
313.06937	0.1
331.04443	3.8
331.17368	0.3
332.04758	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	331.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.1
53.03937	0.1
55.01868	0.2
55.05486	0.1
64.82858	0.0
65.03947	0.1
67.01855	0.1
67.05506	0.6
68.99777	0.8
69.03410	0.1
69.07040	0.1
70.06592	0.5
71.29259	0.1
72.08151	0.3
75.02438	0.1
77.03924	0.1
79.01851	0.8
79.05472	0.1
81.03408	0.2
81.07034	0.2
83.04964	0.1
84.04494	0.2
84.08128	0.2
86.09702	0.8
87.02681	0.1
95.04971	0.9
97.02877	0.2
98.98468	2.7
105.03399	0.1
105.07019	0.1
107.01316	0.1
107.04955	0.2
109.02862	0.2
111.04411	0.1
114.35114	0.1
123.04435	0.9
125.02317	0.3
129.06599	0.1
129.10257	0.1
133.02838	0.1
137.02325	0.2
143.03407	0.9
144.06572	0.1
149.44804	0.1
151.03922	0.1
153.01834	7.0
153.02942	0.6
154.02147	0.1
157.06793	0.1
161.02382	0.1
174.09445	0.1
174.99301	0.1
176.98895	0.2
179.03392	100.0
180.03731	3.4
185.16521	0.1
217.11891	0.1
218.12411	0.1
287.08774	0.1
313.03769	0.1
331.04501	4.2
331.08063	0.3
331.12991	0.5
332.04889	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	331.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78629	0.1
55.01876	0.3
63.81955	0.2
65.76586	0.2
67.05509	0.2
68.99791	0.9
70.55079	0.3
81.03423	0.2
91.05475	0.3
95.04972	0.5
98.23265	0.2
98.98472	7.0
99.36879	0.1
105.03429	0.3
107.01283	0.2
107.04929	0.2
109.00803	0.1
111.00810	0.3
111.04440	0.2
115.05456	0.6
116.75629	0.1
119.17139	0.1
121.02863	0.4
121.06511	0.3
123.04462	0.8
123.24668	0.2
125.02315	0.3
129.06989	0.7
130.07779	0.4
131.04956	0.2
133.02823	0.3
135.04419	0.3
137.02344	2.6
137.03371	0.3
137.05984	0.5
140.06213	0.6
141.07031	0.3
143.03374	0.4
144.05627	0.1
145.02861	0.2
149.02382	0.6
149.05989	0.3
150.03174	0.3
151.04027	0.2
151.07599	0.2
153.01837	4.1
153.02945	0.4
157.06519	1.0
158.06056	0.3
158.07277	3.2
159.04434	0.3
159.07648	0.2
159.79259	0.2
160.05244	0.3
161.02315	0.2
168.05728	2.2
169.06494	0.7
171.04404	1.0
173.05992	0.2
174.99232	0.3
175.03949	0.7
176.98900	0.4
177.05435	0.4
178.02603	0.4
179.03401	54.3
180.03709	1.7
184.05176	0.2
185.06010	2.8
186.03163	0.3
186.06773	6.6
187.03836	0.6
187.07117	0.4
188.04675	0.4
189.01837	0.6
196.05202	3.1
197.05972	2.2
199.03929	0.5
200.01161	0.2
200.04791	0.2
201.01758	0.2
201.05411	0.3
203.03378	2.9
204.04004	0.3
212.04764	0.5
213.05478	6.1
214.02654	0.5
214.06247	4.6
215.03477	0.8
215.06781	0.2
216.04076	0.8
217.01306	0.6
223.03752	0.3
224.04733	2.3
225.01924	1.3
225.05457	2.7
226.02440	0.3
226.05811	0.2
227.03349	0.3
228.00505	0.5
229.05000	0.7
230.05737	0.3
231.02852	0.3
231.06500	0.5
232.03651	0.2
239.11780	0.6
241.04970	2.6
242.02263	0.8
242.05745	6.9
243.02788	0.3
243.06329	0.3
245.00806	1.1
245.04401	0.3
252.04170	1.3
253.04988	2.5
254.05482	0.2
257.00806	0.3
257.04431	0.9
258.05188	0.7
259.05814	0.3
260.03152	0.8
261.03818	0.2
267.11273	0.7
269.04459	2.0
270.05234	45.4
271.02362	3.9
271.05634	2.6
272.03000	0.4
273.00262	4.2
273.03854	1.6
274.00671	0.3
280.03552	0.3
281.04379	1.6
285.00577	0.3
285.03928	2.6
285.07269	0.5
286.04700	1.6
287.02420	0.2
287.05496	6.0
288.02612	0.4
288.05908	0.6
295.10770	0.2
297.03949	9.6
298.04721	16.7
299.01846	1.6
299.05429	5.9
300.02530	0.5
300.05664	0.2
300.99823	12.2
301.03229	0.8
302.00229	0.5
302.04153	4.1
303.04822	0.3
313.03510	0.2
313.06561	0.3
313.89127	0.2
315.04999	17.9
316.02094	13.7
316.05734	11.7
317.02478	0.8
317.06076	0.4
320.36996	0.2
331.04443	33.7
331.08093	100.0
332.04752	2.4
332.08447	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	331.0801
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
68.99789	0.3
91.05480	0.3
95.04929	0.2
98.97940	0.1
98.98473	1.7
101.95513	0.1
108.02055	0.1
110.03632	0.2
111.00766	0.3
115.05475	0.1
117.22195	0.1
121.02885	0.4
121.06481	0.6
123.04401	0.2
129.07004	0.6
130.07738	0.5
135.04411	0.1
135.41341	0.1
137.02342	2.1
137.03395	0.3
137.05974	0.6
140.06174	0.3
147.04384	0.2
149.02301	0.4
150.03104	0.4
151.03903	0.2
151.07530	0.6
153.01842	0.8
157.06451	1.0
158.07280	2.9
161.05957	0.2
162.03018	0.1
164.07034	0.2
165.07300	0.2
166.02556	0.2
167.03406	0.3
168.05688	2.0
169.06416	0.6
171.04425	0.7
172.05157	0.2
173.05965	0.2
175.03894	0.5
178.02634	0.3
179.03391	4.4
180.03874	0.1
184.05177	0.1
185.05992	2.2
186.06757	6.3
187.04012	0.2
187.07089	0.4
189.09067	0.3
195.08087	0.2
196.05208	2.4
197.05965	2.0
199.03915	0.3
203.03395	2.5
212.04665	0.3
213.05452	4.8
214.06241	4.2
220.74280	0.1
224.04706	2.1
225.05449	2.1
229.04959	0.2
231.06348	0.2
241.04974	2.1
242.05731	6.8
243.06215	0.2
245.04341	0.3
252.04114	1.3
253.04950	2.2
258.05194	0.5
259.05957	0.2
269.04440	1.7
270.05219	41.2
271.05640	2.3
273.03922	1.3
280.03680	0.3
281.04480	1.3
285.04007	2.0
286.04681	1.7
287.05478	5.3
287.12656	0.2
288.06152	0.4
297.03934	7.9
298.04706	15.1
299.05429	5.4
300.05869	0.2
301.03262	0.9
302.04190	3.7
303.04504	0.2
313.03503	0.3
315.04974	15.7
316.05737	10.3
317.06052	0.5
331.08099	100.0
332.08453	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	331.0799
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
51.80891	0.1
52.62135	0.1
55.01855	0.2
57.14999	0.1
58.55627	0.1
65.03938	0.2
66.10952	0.1
67.05487	0.2
68.99789	0.4
69.03427	0.2
71.29217	0.1
72.23028	0.1
74.01538	0.1
79.05446	0.1
81.03428	0.1
85.02894	0.1
89.03934	0.1
91.05503	0.6
93.03379	0.1
93.07034	0.2
94.07354	0.1
95.04950	0.4
97.02877	0.2
98.98467	6.7
103.05447	0.4
107.04933	0.3
110.03650	0.3
111.00800	0.2
115.05441	0.3
116.99448	0.1
117.03379	0.2
119.04917	0.3
121.02862	0.4
121.06509	2.4
122.03568	0.1
122.06860	1.1
123.04408	0.4
129.07016	0.5
130.07755	0.5
131.04945	0.2
134.03648	0.1
135.04398	0.2
136.07512	0.2
137.02328	1.7
137.03340	0.1
137.05972	0.7
138.09090	0.2
140.06204	0.4
141.07039	0.2
143.04839	0.1
144.05592	0.1
147.04398	0.2
149.02315	0.4
149.05983	2.6
150.03133	0.3
151.03912	1.0
151.04991	0.2
151.07573	0.7
152.04201	0.6
153.01833	1.2
153.05435	0.1
155.08569	0.1
157.06497	1.1
158.07281	3.2
159.04414	0.1
160.05188	0.1
161.05957	0.3
163.03891	0.2
163.07500	0.3
164.07082	0.5
165.07133	0.6
167.03413	0.3
167.07031	0.4
167.08490	0.2
168.05710	2.1
168.07094	0.2
169.06487	0.6
171.04361	0.7
172.05075	0.2
173.05966	0.2
174.99182	0.2
175.03879	0.3
176.98944	0.4
177.05482	3.0
178.02602	0.1
179.03401	7.1
179.06956	0.3
180.03751	0.2
181.05042	0.9
181.06488	0.2
183.08075	0.3
184.05275	0.2
185.06010	1.7
186.06770	6.2
187.03938	0.2
187.07106	0.2
189.01825	0.1
189.09128	0.1
193.01329	0.1
195.04501	0.2
196.05194	2.9
197.05968	2.1
198.06619	0.1
199.03877	0.2
201.05325	0.2
203.03401	2.6
207.06525	0.3
211.07646	0.6
212.04695	0.3
213.05476	5.0
214.06245	4.1
215.06567	0.1
224.04669	2.0
225.01865	0.3
225.05470	1.9
225.08940	0.2
227.10692	0.2
228.00531	0.2
229.04962	0.2
239.07095	0.4
241.04962	1.9
242.05740	6.5
243.06229	0.3
243.10231	0.4
252.04120	1.2
253.02185	0.2
253.04932	2.0
254.99135	0.1
255.10321	0.2
257.04352	0.2
258.05136	0.3
259.06030	0.3
269.04486	1.6
270.05225	39.1
271.02396	0.6
271.05624	2.2
271.09802	0.3
273.00845	0.2
273.03934	1.2
280.03607	0.2
281.04425	1.2
282.04590	0.1
285.03958	2.2
285.11417	0.1
286.04703	1.4
287.05484	5.1
287.12662	0.3
288.05991	0.5
297.03934	8.4
298.04712	15.1
299.01886	1.1
299.05463	5.6
299.08792	0.2
300.05753	0.2
301.00073	0.2
301.03400	0.8
302.04175	3.8
303.04538	0.2
303.12250	0.4
313.03482	0.2
315.04990	16.3
316.02231	0.7
316.05710	10.1
317.06091	0.7
331.08102	100.0
332.08493	5.4
332.11777	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	331.0806
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
52.36056	0.1
55.01872	0.1
64.63062	0.1
65.03937	0.1
65.44872	0.0
68.99783	0.3
69.16444	0.3
69.16852	0.1
85.02923	0.1
91.05474	0.1
92.02665	0.1
98.97564	0.1
98.97784	0.1
98.98468	1.0
105.03400	0.1
107.04969	0.1
108.02078	0.1
110.03682	0.2
111.00762	0.2
114.10396	0.1
115.05447	0.2
116.98596	0.1
121.02849	0.5
122.03651	0.1
123.04424	0.2
127.03925	0.1
129.06979	0.5
130.07782	0.5
131.04922	0.1
134.03616	0.1
135.04379	0.1
137.02325	2.2
137.03313	0.1
137.05948	0.1
139.05382	0.1
140.06169	0.5
141.06992	0.2
144.05644	0.1
145.06458	0.1
147.04391	0.1
149.02357	0.4
150.03102	0.3
151.03915	0.2
153.01814	0.7
154.02499	0.1
157.06488	1.1
158.07266	3.3
158.99669	0.1
159.07646	0.1
160.05170	0.1
161.02322	0.1
161.06020	0.1
162.03094	0.2
163.03932	0.1
165.01855	0.1
166.02664	0.1
167.03418	0.2
167.07066	0.1
168.04274	0.1
168.05710	2.0
169.06494	0.6
171.04402	0.7
172.05179	0.2
173.05989	0.2
175.03915	0.5
175.07594	0.1
176.04402	0.1
177.05466	0.2
178.02614	0.2
179.03392	3.1
180.03732	0.1
181.06532	0.1
184.05251	0.1
185.05986	2.3
186.06760	6.9
187.03908	0.2
187.07143	0.4
189.01790	0.1
189.05594	0.1
193.01260	0.1
193.04935	0.1
193.43961	0.1
195.04443	0.1
196.05202	3.0
197.05963	1.7
198.06525	0.1
199.03888	0.3
200.04701	0.2
201.05452	0.2
202.06206	0.1
203.03391	2.7
204.03699	0.1
207.02940	0.1
207.06573	0.1
211.04263	0.1
212.04741	0.3
213.05469	5.4
214.06238	4.8
215.06633	0.3
216.04198	0.2
217.04994	0.2
223.03889	0.1
224.04683	2.3
224.06906	0.1
225.05444	2.2
226.06024	0.1
227.03340	0.2
228.04124	0.1
229.04968	0.3
230.05714	0.1
231.06535	0.2
241.04953	2.4
242.05730	6.5
243.06155	0.5
245.04434	0.2
252.04170	1.4
253.04951	2.3
254.05272	0.1
255.02777	0.1
257.04443	0.1
258.05191	0.5
259.05997	0.4
269.02231	0.0
269.04449	2.0
270.05212	43.8
271.05573	3.1
273.03946	1.3
273.06866	0.1
274.04175	0.1
280.03641	0.3
281.04425	1.4
282.04684	0.1
285.03940	2.2
286.04678	1.7
287.05481	5.8
288.06018	0.6
297.03928	8.5
298.04694	16.6
299.05420	5.8
300.02527	0.1
300.05850	0.3
301.03445	0.7
302.04193	4.0
303.04578	0.2
313.03564	0.3
315.04968	17.2
316.05728	11.3
317.06104	0.6
331.08090	100.0
332.08447	7.9
344.13562	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	331.0812
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
54.94184	0.4
65.03943	0.5
67.21452	0.4
68.99779	0.5
80.85769	0.6
91.05470	1.6
91.21371	0.4
92.05798	0.5
93.07030	1.1
95.04945	0.7
98.98462	7.4
98.99052	0.8
103.05497	1.1
107.04948	0.7
109.02895	0.8
111.99856	0.5
116.97188	0.4
118.47369	0.4
119.04925	0.5
121.06517	7.8
122.06834	5.2
123.04379	0.6
124.05212	1.1
131.04950	0.6
133.02859	0.9
135.04424	0.5
136.04749	0.4
137.05980	1.2
147.04292	0.5
149.05995	1.0
151.03903	1.9
152.04666	1.2
152.06097	0.5
153.01802	1.9
153.05026	1.2
153.06992	1.7
157.06485	1.0
162.03227	0.5
164.04662	0.5
164.07071	2.7
165.07195	3.6
167.07056	1.5
167.08423	0.6
168.05717	1.5
168.07321	1.1
169.06526	1.3
169.51662	0.4
176.98906	0.6
181.06451	2.4
182.07288	0.7
183.08060	0.9
184.05144	0.6
185.06001	1.8
189.05479	0.9
194.02075	0.7
195.08031	0.6
196.05298	0.7
197.05986	1.3
198.06750	1.0
199.07570	0.9
201.05463	0.5
209.06027	0.8
210.06607	0.7
211.07523	1.4
213.05409	2.4
214.06206	1.2
217.04976	7.3
218.05447	1.0
221.06090	0.4
225.05466	0.8
225.09210	1.0
227.07063	1.0
228.04153	1.5
228.07758	1.4
229.04922	1.5
230.05757	1.8
238.06107	0.9
241.05042	0.8
242.05629	0.6
243.06538	0.8
245.04477	14.9
245.08177	0.6
246.04808	0.7
253.08635	0.6
255.06694	0.9
256.07330	0.8
257.04440	1.6
257.08075	1.1
258.05063	0.9
259.05908	0.6
269.04337	1.2
270.05203	1.2
271.05988	0.6
271.09525	1.0
273.03934	14.7
274.04312	0.6
285.03995	1.6
286.04623	0.5
287.05466	3.7
288.06268	2.7
288.09442	0.7
297.03854	0.5
299.05472	0.8
300.02646	2.1
301.03415	25.1
302.03763	1.7
315.01254	0.7
315.04980	19.8
316.05762	65.0
317.06082	4.2
330.10825	0.5
331.08157	100.0
331.11783	17.2
332.08539	6.9
332.12057	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	331.0813
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
67.05470	0.5
80.85760	0.4
81.07039	0.4
82.06734	0.3
84.53787	0.4
91.05434	0.6
92.02602	0.4
95.01292	1.1
95.04947	0.6
98.98474	17.0
98.99119	0.8
100.98843	0.6
110.03677	2.4
111.04446	0.4
116.99492	0.6
121.02842	1.0
122.03616	0.7
137.02341	5.5
137.05994	0.4
149.02252	0.4
150.03050	0.4
151.03876	0.5
167.03406	1.8
168.04210	0.4
174.99213	1.0
176.98923	1.3
179.03488	0.6
184.05132	0.4
189.05428	0.4
196.24782	0.3
199.03914	1.1
207.02855	1.0
213.05562	0.5
214.06252	0.9
217.04959	1.0
227.03320	1.0
229.04968	0.5
231.06477	0.5
241.04810	0.4
242.05739	3.0
243.06496	1.6
245.04454	2.8
257.04398	0.4
258.05301	0.5
259.05984	2.2
269.04407	0.5
270.05222	1.3
271.05988	2.9
272.03165	0.5
273.03943	14.7
274.04434	0.6
285.04126	0.4
286.04651	0.6
287.05511	9.1
288.06268	5.5
289.06805	0.3
299.05576	1.2
300.02695	0.7
315.01270	0.7
315.04987	18.5
316.05780	73.2
317.06122	5.3
330.70029	0.3
331.08127	100.0
332.08441	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	331.0811
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
57.78394	0.5
63.26389	0.5
65.59713	0.4
67.58379	0.4
74.55836	0.4
85.43009	0.4
99.06168	0.5
137.02354	1.8
153.01755	0.6
157.06448	1.4
158.07243	2.6
167.03426	0.7
168.05693	2.0
180.50089	0.5
185.05981	1.8
186.06781	7.4
186.08360	0.8
196.05214	2.3
197.06032	1.9
203.03400	2.9
213.05479	5.1
214.06201	4.6
215.06844	0.6
224.04681	2.5
225.05478	2.4
241.04964	1.4
242.05693	7.0
252.04147	1.7
253.05043	2.3
269.04517	1.4
270.05231	41.9
271.05591	2.5
273.03998	1.1
281.04514	0.7
285.03940	1.8
286.04678	1.6
287.05518	4.6
297.03940	8.5
298.04688	14.9
299.05533	6.4
302.04178	3.1
315.04968	16.2
316.05701	10.9
331.08109	100.0
332.08487	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	331.1024
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.59940	0.3
55.05494	0.4
65.03925	0.3
67.05488	0.7
67.35204	0.3
68.99790	1.0
69.07066	0.3
70.06587	1.0
71.06924	0.4
72.08154	3.9
79.01846	0.9
81.03410	0.3
81.07072	0.5
83.04991	0.4
84.04516	0.8
84.08144	2.2
85.02901	0.3
86.09226	0.3
86.09706	4.4
86.74259	0.3
87.05576	0.4
88.03976	0.5
93.03434	0.5
95.04973	0.9
97.02889	0.4
98.98467	19.2
100.58714	0.3
100.98896	0.7
102.05523	1.3
108.08131	0.6
108.14758	0.3
109.02861	0.3
111.04477	0.8
116.99515	0.4
123.04462	0.8
123.05531	0.8
124.03947	0.9
125.02396	0.4
125.05988	0.4
127.03870	0.3
129.10248	1.5
142.08678	0.4
143.03430	0.8
143.11798	0.6
145.02992	0.3
147.07635	1.2
151.03905	0.3
151.11186	0.9
153.01842	6.6
153.02959	0.9
161.12833	0.4
169.04958	0.9
173.09164	0.4
174.99217	0.6
176.98920	1.5
177.05547	0.4
179.03395	100.0
180.03758	4.3
181.04968	0.5
187.10760	0.6
199.18057	0.5
215.14069	0.3
217.11720	0.4
252.99585	0.3
331.04413	4.1
331.14804	1.0
332.04718	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	331.1024
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.80001	2.6
55.01883	4.9
57.03428	2.7
59.61094	2.5
67.01887	3.1
76.17689	2.5
85.02922	13.5
91.05506	2.8
98.22639	7.1
98.98476	100.0
98.99121	5.8
100.98912	3.4
103.04008	2.8
103.05500	3.0
105.07059	2.7
107.04959	3.3
108.08170	4.1
109.02888	6.4
116.99551	4.2
119.04874	3.4
121.02927	3.7
121.06541	3.7
122.06896	2.8
123.04424	10.6
133.06502	3.4
133.12798	2.8
137.05981	5.8
147.04428	9.4
148.20657	2.5
151.03958	16.9
153.01855	10.1
161.06061	5.7
163.03961	14.5
165.05472	9.4
167.07082	14.2
169.04979	13.7
175.03947	5.1
176.98999	5.8
177.05557	3.3
178.12360	2.3
179.03427	57.9
181.04977	32.5
187.03929	5.1
189.05513	3.8
193.04979	51.5
193.06657	3.4
194.04272	4.8
205.05042	7.8
207.06546	14.1
211.06035	37.6
213.05283	2.6
219.06668	2.5
229.04857	12.5
231.06403	2.8
235.06027	38.5
247.06047	35.1
248.06467	3.6
259.06064	24.4
262.53891	2.7
265.07071	4.3
273.36111	2.7
277.07104	8.7
295.08136	6.2
309.60028	2.3
331.08942	4.2
331.12564	18.2
331.20923	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	331.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37625	0.6
55.05510	0.8
59.90393	0.6
69.03418	1.0
69.16853	1.2
69.17255	2.8
85.02900	1.9
86.09689	1.4
91.05486	0.9
98.98472	32.4
100.98856	0.8
109.06498	0.6
117.49845	0.7
121.06509	2.7
121.10117	0.8
122.06851	1.3
133.10184	0.6
137.05972	1.5
142.00618	0.6
147.51750	0.6
169.08377	14.5
173.12891	1.0
174.99113	1.0
176.98949	2.6
177.05588	0.7
185.04213	10.7
186.00624	0.6
193.01317	1.6
194.01653	1.8
203.05298	6.3
235.82285	0.6
284.95117	0.6
331.00766	1.7
331.13635	100.0
332.13943	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86848	1.0
53.03942	1.2
55.01866	2.5
55.05507	2.7
67.05486	2.4
68.99791	1.1
69.07050	1.1
69.35188	4.4
69.35595	1.9
79.05486	3.1
81.07050	2.2
83.04984	2.7
85.02880	1.4
89.03931	1.3
91.05482	24.7
92.05795	1.9
93.07058	2.0
94.04182	3.2
95.04969	5.7
98.98468	35.1
98.99117	1.9
100.98877	1.0
101.06017	2.1
101.65459	0.9
103.05480	4.3
105.07048	4.7
107.04958	6.6
109.02876	1.1
109.06529	3.1
109.10136	1.5
111.04456	4.6
115.05489	3.6
117.03383	1.6
117.06977	2.1
117.53526	0.9
119.04946	13.9
121.06508	12.8
122.03670	6.2
122.06844	5.1
123.04451	2.0
125.02285	1.2
128.06244	4.5
128.18118	0.9
129.07007	12.3
131.04868	4.8
131.08569	1.3
133.06477	2.1
135.04463	1.0
135.08064	5.2
136.05191	3.0
137.05978	66.3
138.06335	2.6
143.03433	1.0
143.04852	1.2
145.02837	1.2
145.06465	3.1
146.03369	1.3
147.04385	1.3
148.05150	2.0
149.05984	13.0
150.06528	1.4
151.03915	4.3
151.07542	78.9
151.11198	1.8
152.04720	2.0
152.06227	3.1
152.07887	2.3
153.01819	17.6
153.02950	1.9
153.04993	1.2
153.06967	1.6
156.91917	1.0
157.06491	10.7
161.05989	8.8
161.09605	3.7
162.06696	1.2
163.03925	1.2
163.07556	17.7
164.07072	2.3
165.06985	11.2
165.09143	3.3
166.07771	2.3
167.07066	3.3
167.08575	13.3
169.06474	2.1
172.01587	1.0
174.06728	6.1
174.99231	1.5
175.07562	4.5
176.98970	1.5
177.05489	5.2
177.06931	1.9
177.09117	4.3
178.05830	3.2
178.07771	6.1
179.03392	34.7
179.06837	1.1
179.08466	2.3
180.03711	1.6
181.05096	1.1
181.06540	3.0
181.10101	1.7
182.07249	3.9
183.07980	2.3
183.74490	1.0
187.03812	1.0
187.07500	1.3
189.09103	25.4
190.09395	1.4
191.08574	1.4
192.09402	1.9
193.06483	5.3
193.10153	6.2
194.07219	2.6
195.08037	18.7
196.08643	1.8
197.05992	6.3
200.01140	1.4
203.08615	1.6
203.22488	0.9
206.07381	1.1
207.08290	1.5
207.10147	4.1
209.06020	1.9
209.09634	4.2
210.06776	8.7
210.10057	1.5
211.07504	3.6
212.08313	4.2
213.05406	1.2
213.08946	1.6
214.02545	2.1
215.03369	2.4
217.01381	2.6
219.08043	1.7
220.08791	1.5
221.05965	8.0
221.09570	9.4
223.07532	9.4
224.08313	3.5
225.01872	10.5
225.05521	2.2
225.09134	8.4
227.07018	2.7
227.10674	22.9
228.00523	7.6
228.11008	1.2
237.05435	1.6
237.09157	3.1
238.06281	5.3
238.09854	1.6
239.07104	1.9
240.07845	2.8
241.08440	1.7
241.12234	1.5
245.00847	2.5
247.09729	1.2
249.09093	5.5
252.07761	1.5
253.01389	8.8
253.08540	11.2
253.12263	12.1
254.09282	1.2
255.06557	1.3
255.07170	1.6
255.10161	24.3
256.00064	2.7
256.10596	1.3
260.03247	2.6
267.10214	4.9
269.08148	3.2
269.11572	1.7
270.01807	1.3
270.05225	5.3
270.08649	1.3
271.02380	20.4
272.02625	1.4
272.10434	2.3
273.00308	7.6
274.00720	1.5
281.11765	3.3
283.99506	3.7
284.10397	1.8
285.11194	14.6
287.12750	25.2
288.13135	3.1
298.04587	2.0
298.12100	1.3
299.01871	41.0
300.02280	5.8
300.99777	12.9
301.14297	1.4
302.04440	1.0
310.69772	1.0
313.14407	6.6
315.04868	1.5
316.02115	28.0
316.05392	1.6
317.02353	2.1
331.04462	100.0
331.07996	10.5
331.12045	3.7
331.19543	3.6
332.04794	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66523	0.3
53.03955	0.3
55.01854	0.4
55.05497	0.7
59.05012	0.4
65.03941	0.3
67.05507	0.4
68.99810	0.7
79.01851	0.6
79.05485	0.9
79.22743	0.3
81.07057	0.9
83.04990	0.6
84.08132	0.4
86.09676	0.5
91.05486	5.6
93.07024	0.3
94.04224	0.5
95.04992	1.5
98.98471	9.8
100.03162	0.3
101.06025	0.7
103.05467	1.0
105.07023	0.7
107.04953	1.8
109.02907	0.4
109.06499	0.7
111.04445	1.2
117.03368	0.8
117.07040	0.4
118.03704	0.8
119.04944	3.2
121.06525	1.6
122.03673	1.5
123.04412	0.8
123.62930	0.3
128.06201	0.8
129.05510	0.6
129.07011	2.5
131.04941	0.8
131.08595	0.5
133.06474	0.6
135.04372	0.3
135.08026	0.8
136.05225	0.5
137.02309	0.3
137.05981	14.9
138.06369	0.7
143.03421	0.6
145.02858	2.1
145.06540	0.7
146.03120	1.7
147.04446	0.5
149.05989	2.6
151.03917	0.6
151.07549	18.4
152.06212	0.6
152.07893	0.6
153.01846	6.6
153.02983	0.8
153.06944	0.4
157.06512	2.6
161.06006	2.1
161.09633	0.7
163.07544	4.0
165.07013	2.0
165.09167	0.7
166.07738	0.7
167.08574	2.8
169.06531	0.4
174.06775	1.0
175.07556	1.1
176.99016	0.6
177.05527	3.7
177.06999	0.6
177.09138	0.6
178.05824	4.3
178.07751	1.2
179.03403	100.0
179.88283	0.3
180.03758	4.4
181.01018	0.3
181.06496	0.7
181.10219	0.3
182.07321	0.9
183.08119	0.3
189.09117	7.1
191.08516	0.6
192.09366	0.4
193.06496	1.2
193.10173	1.3
194.07237	0.5
195.08076	3.6
196.08879	0.4
197.05994	0.9
203.08786	0.5
204.71895	0.3
207.08379	0.3
207.10182	1.0
209.05992	0.5
209.09590	0.7
210.06718	1.4
211.07503	0.8
212.08366	0.7
212.21835	0.3
220.08792	0.4
221.06143	1.7
221.09641	2.0
223.07610	2.2
224.08249	0.7
225.09004	2.0
227.07133	0.7
227.10664	6.3
238.06174	0.9
239.06940	0.4
239.10558	0.4
240.07817	0.8
241.08488	0.4
249.09079	1.3
253.08601	3.4
253.12294	2.9
255.06528	0.3
255.07117	0.3
255.10175	6.2
256.10818	0.4
267.10205	1.0
269.08084	0.9
269.11639	0.6
272.10458	0.5
281.11728	1.0
284.10416	0.3
285.11246	3.3
287.12781	8.0
288.13083	0.5
301.14108	0.3
306.92581	0.3
313.14404	2.7
331.04333	4.0
331.15170	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
59.04997	0.6
67.05499	1.1
68.99799	0.7
69.03405	0.8
69.07066	0.7
69.21726	0.5
69.55992	1.3
69.56399	1.2
71.04989	0.5
79.01853	1.0
79.05492	1.3
81.03410	0.7
81.07056	1.4
83.04981	5.5
84.08161	0.7
91.05486	11.1
93.07027	1.2
94.04166	1.2
95.04980	2.9
97.02927	0.6
98.98466	14.8
101.07557	0.5
103.05460	1.8
105.03394	0.7
105.07032	1.2
107.01430	0.5
107.04929	2.7
107.08587	0.7
109.02876	0.9
109.06526	1.9
115.05444	0.9
115.31037	0.5
117.06964	0.8
119.04949	5.6
121.06509	2.1
122.03674	2.0
123.04404	1.1
123.11672	0.8
125.02306	1.0
128.06236	1.4
129.07002	6.2
131.04924	1.4
133.06490	1.2
135.08052	2.0
136.05205	1.5
137.05983	23.5
138.06279	1.0
140.93376	0.5
143.03415	1.1
143.04932	0.7
145.06476	1.2
147.08089	0.7
148.05202	0.6
149.05983	3.8
151.03893	1.1
151.07545	27.7
151.11232	0.6
152.06143	0.8
152.07863	0.7
153.01837	12.3
153.02939	0.6
154.07841	0.5
157.06499	3.4
161.06010	3.8
161.09662	0.9
162.06790	0.8
163.07556	6.7
165.07004	3.8
165.09160	1.5
166.07671	0.8
167.08556	5.6
169.06480	1.1
174.06747	2.5
175.07530	1.6
176.98987	0.7
177.06960	0.6
177.09094	1.2
178.07758	2.3
179.03400	100.0
180.03740	5.0
181.06564	1.3
181.10101	0.6
182.07240	0.9
189.09100	9.8
192.09442	0.6
193.06511	1.3
193.10068	1.5
194.07234	0.9
195.08067	6.2
196.08553	0.8
197.06020	1.7
197.09697	0.7
205.06438	0.7
206.07341	0.9
207.08086	1.0
207.10219	1.3
209.05859	0.8
209.09717	1.5
210.06807	2.6
211.07529	2.1
212.08336	1.2
217.37039	0.5
219.08051	0.8
220.08748	0.9
221.06087	2.6
221.09622	3.6
223.07521	2.7
224.08357	1.4
225.05455	1.1
225.09030	2.9
227.07121	0.9
227.10648	8.3
237.09077	0.7
238.06233	1.4
238.09842	0.7
239.07062	0.9
240.07930	0.7
241.08664	0.6
241.12260	0.7
249.09070	1.4
253.08531	4.9
253.12206	4.3
254.12675	0.6
255.06479	0.5
255.07582	0.7
255.10155	8.1
256.10553	0.8
267.10141	2.1
269.08069	1.1
272.10422	1.1
281.11734	2.0
285.11179	5.8
287.12766	10.9
313.14273	3.6
331.04486	3.7
331.15265	1.0
349.72736	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	331.1541
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.02380	0.6
53.03953	0.7
55.01861	1.2
65.03923	1.3
66.45160	0.5
67.05502	0.7
68.99772	0.7
70.04736	1.8
72.35438	0.4
73.18954	0.5
73.41187	0.5
77.03938	0.5
78.04716	0.5
79.05502	2.4
81.03396	0.6
81.07050	1.4
83.04960	0.5
91.05489	17.0
93.07037	1.1
94.04201	2.4
95.04992	4.0
95.08569	0.7
98.23361	0.5
98.98473	46.4
99.14481	0.5
100.98865	1.0
103.05467	2.8
105.04473	0.6
105.07012	2.3
107.04965	4.2
109.06518	2.4
111.00775	0.5
111.04427	1.2
115.05446	1.4
116.99463	1.4
117.03385	0.7
117.06980	0.8
117.39812	0.6
119.04954	9.6
121.02850	0.8
121.05782	0.5
121.06517	7.5
122.03622	4.1
122.06863	3.4
123.04442	1.3
123.08002	0.8
128.06203	2.7
129.07018	9.7
131.04947	3.4
131.08549	1.4
133.02876	0.7
133.06482	1.4
135.04468	0.6
135.08073	2.8
136.05157	2.1
137.02322	2.1
137.05981	40.5
138.06326	1.1
139.03900	0.6
140.06218	1.3
141.06996	1.1
143.04936	0.9
145.02843	0.6
145.06462	2.2
146.03529	0.8
147.04395	0.7
147.08008	0.7
148.05202	1.0
149.05988	7.7
150.06543	0.6
151.03978	3.1
151.07549	40.1
152.04565	0.6
152.06178	3.1
152.07875	1.5
153.01822	2.5
153.06999	3.4
155.08548	1.6
157.06509	8.4
158.07298	3.7
159.04398	0.8
160.05130	1.1
161.05974	7.7
161.09608	1.6
163.07556	9.1
164.06955	0.8
165.07028	9.9
165.09085	1.8
166.07680	1.9
167.07025	2.1
167.08546	7.9
168.05707	4.5
169.06538	3.4
170.07155	0.9
171.04359	0.9
171.08101	0.6
172.05220	0.5
174.06757	3.8
174.99185	2.1
175.03893	0.6
175.07535	2.3
176.98930	3.3
177.05461	2.1
177.06947	1.1
177.09010	1.0
178.06194	0.5
178.07747	4.1
179.03409	10.2
179.08492	1.3
180.05580	0.7
181.06491	4.8
182.07289	4.3
183.08090	3.5
184.05208	1.1
184.08826	1.0
185.05992	3.6
186.06781	7.4
187.07613	1.0
189.09120	13.7
190.07843	0.6
190.09444	0.7
191.06984	0.6
191.08589	0.7
192.09334	0.9
193.06490	3.4
193.10170	3.5
194.07246	1.7
195.08070	12.1
196.05191	4.9
196.08479	1.4
197.05986	6.6
197.09586	1.2
198.06644	1.7
199.03903	0.7
199.07521	1.7
201.05331	0.8
202.07860	1.0
203.03430	3.0
203.08511	1.4
203.96024	0.5
205.06441	1.3
206.07245	0.8
207.04483	0.8
207.08163	0.9
207.10147	1.6
208.05321	0.5
209.06013	3.1
209.09589	2.0
210.06729	7.1
211.07539	6.4
212.04721	0.9
212.08356	3.1
213.05470	7.7
213.09000	1.4
214.06281	5.8
215.06955	0.9
221.06064	4.5
221.09592	5.4
222.06543	1.2
223.07565	7.0
224.04729	3.4
224.08279	2.2
225.05533	4.5
225.09059	6.2
226.06152	1.1
227.07269	3.2
227.10684	12.4
228.07756	2.2
228.11026	0.8
229.08521	0.7
230.05638	1.0
234.06769	0.9
235.07587	0.6
237.05367	0.8
237.09036	1.3
238.06261	3.5
238.09761	1.2
239.07071	3.2
239.10609	0.8
240.07806	2.5
241.04918	3.3
241.08559	1.8
241.12132	0.9
242.05737	7.3
242.09361	0.7
243.06184	0.6
243.10124	1.1
245.08101	1.1
249.08974	2.4
251.07094	1.0
252.04134	1.4
252.07814	1.3
253.04861	2.7
253.08560	8.4
253.12177	6.6
254.09239	0.7
255.06516	1.9
255.10196	12.6
256.06982	1.0
256.10556	0.9
257.08008	1.4
266.09250	0.6
267.10150	2.0
269.04794	2.7
269.08078	2.4
269.11603	1.2
270.05237	42.3
271.05499	3.2
271.09564	1.8
272.10333	1.7
273.00516	0.6
273.03909	1.4
273.07635	0.9
281.04407	0.6
281.08725	0.8
281.11682	3.4
284.10373	1.3
285.04108	2.6
285.07901	1.0
285.11212	9.7
286.04697	2.3
287.05542	5.9
287.12772	17.0
288.10135	0.7
288.13089	1.6
297.03949	8.8
298.04727	15.9
299.02063	1.1
299.05347	6.4
299.09021	1.3
299.12494	0.7
300.99496	1.4
301.03113	1.1
302.04205	4.3
303.05051	0.7
303.12103	0.7
313.03427	0.7
313.14410	5.0
315.05008	15.6
316.02078	2.9
316.05667	10.8
316.09323	1.3
317.06137	0.8
317.95642	0.7
331.04681	7.7
331.08032	100.0
331.11780	24.6
331.17197	30.5
332.05060	0.5
332.08347	8.3
332.12164	2.3
332.17346	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	331.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39032	0.4
52.66898	0.4
52.86054	0.4
53.03935	0.6
55.01873	0.9
58.42083	0.5
65.03937	1.5
67.05497	0.7
67.78346	0.4
69.62122	2.4
79.05493	2.4
81.07049	1.9
91.05487	17.3
92.05816	0.8
93.07042	1.1
94.04173	1.8
95.04977	3.1
98.98473	36.6
100.98856	0.6
103.05484	2.9
105.03391	0.6
105.07041	2.7
107.04962	4.5
107.08555	0.6
109.02925	0.6
109.06501	2.1
111.04424	1.0
111.20225	0.5
115.05453	1.4
116.99488	1.5
117.03362	1.0
117.07015	1.7
119.04959	9.6
119.08586	0.8
121.02882	0.9
121.06517	7.8
122.03653	4.7
122.06858	3.8
123.04456	1.3
123.08115	0.8
125.05956	0.5
128.06232	2.7
129.07010	8.4
131.04910	2.7
131.08578	0.9
133.02855	0.6
133.06493	1.1
134.03593	0.6
135.04413	0.8
135.08055	3.6
136.05180	2.2
137.02455	2.3
137.05984	43.1
138.06244	1.2
139.05392	0.5
139.07539	0.5
140.06213	0.7
141.06995	1.7
143.04938	0.7
143.08656	0.5
144.05635	0.5
145.06456	1.7
145.07492	0.5
146.03577	0.8
147.04419	1.3
147.08054	0.8
148.05138	1.0
149.02332	0.7
149.05997	8.2
150.06732	0.5
151.03979	3.1
151.07553	43.8
152.04305	0.8
152.06180	2.8
152.07898	1.4
153.01877	3.1
153.07007	3.1
154.07718	0.6
155.04895	0.8
155.08537	0.8
157.06508	8.6
158.07297	3.3
161.05995	6.1
161.09624	2.1
162.06763	0.7
163.03845	0.6
163.07555	10.8
164.07059	1.0
165.05540	0.8
165.07021	10.0
165.09106	2.0
166.07716	1.5
167.07043	2.1
167.08556	7.9
168.05733	3.7
168.07031	0.7
169.06497	3.2
169.10095	0.6
170.07190	0.8
171.08073	0.6
174.06772	3.5
174.99171	0.8
175.03900	1.0
175.07570	2.3
176.98885	2.5
177.05447	1.7
177.06905	1.1
177.09111	1.6
178.05774	0.5
178.07813	2.8
179.03415	9.7
179.07097	0.7
179.08560	1.5
180.03790	0.7
180.05591	0.8
181.06488	5.1
182.07300	3.1
183.08080	3.0
184.08720	0.9
185.05997	4.5
186.06746	5.4
187.07419	1.0
189.09123	14.9
192.09454	1.0
193.06490	4.5
193.08084	0.7
193.10095	3.6
194.07230	2.4
195.04430	0.8
195.08064	11.9
196.05206	4.2
196.08630	1.5
197.05980	6.9
197.09599	1.6
198.06714	1.5
199.07533	1.6
200.04733	0.6
200.08316	0.5
201.09065	0.6
202.07805	0.8
203.03487	2.3
203.08580	1.3
205.06427	0.5
206.07242	1.4
207.04448	1.0
207.08279	0.9
207.10141	1.9
209.06056	3.4
209.09595	2.0
210.06784	6.5
210.10435	0.6
211.07581	5.2
212.04703	1.3
212.08292	3.3
213.05490	7.4
213.08995	1.5
214.06262	6.0
215.06665	0.8
217.08371	0.6
219.08058	0.7
220.08955	1.2
221.06042	5.3
221.09604	5.0
222.06503	0.6
223.07571	6.3
224.04721	3.1
224.08295	1.9
225.05539	4.2
225.09082	7.2
226.06180	1.2
227.03525	0.5
227.07216	3.4
227.10674	13.6
228.04124	0.5
228.07762	1.9
228.11003	0.8
229.05025	0.5
230.05730	1.3
237.05458	1.3
237.09114	1.3
238.06201	4.1
238.09900	0.9
239.07011	1.9
239.10706	1.2
240.07809	1.6
241.04967	3.9
241.08530	1.7
241.12114	1.1
242.05760	7.6
243.06456	0.6
243.10155	0.9
245.08138	0.7
248.08221	0.5
249.09102	2.6
251.06934	0.9
252.04218	1.0
252.07776	1.2
253.05045	2.5
253.08563	8.1
253.12230	7.4
254.09015	0.6
255.06555	2.0
255.10167	15.1
256.07169	1.4
256.10516	1.1
257.08127	1.7
258.05164	0.6
266.09473	0.6
267.06500	0.6
267.10141	2.6
269.04443	1.4
269.08078	2.8
269.11572	1.1
270.05243	41.5
270.08490	1.4
271.02737	0.6
271.05576	3.2
271.09579	1.6
272.10321	2.3
273.03879	1.3
273.07394	0.6
281.04483	1.1
281.08597	0.5
281.11670	3.0
284.10434	0.6
285.03986	1.9
285.11243	8.7
285.18405	0.6
286.04504	1.4
287.05591	5.1
287.12790	17.7
288.09891	1.0
288.13153	1.1
297.03976	8.4
298.04730	14.9
299.05350	5.4
299.08881	1.1
299.12634	0.7
300.99884	1.1
301.03378	1.1
301.14175	0.8
302.04172	4.4
303.12308	1.0
313.11264	0.5
313.14481	4.1
315.01328	0.8
315.05005	15.1
316.02139	2.2
316.05682	11.3
316.09308	0.9
331.04706	6.8
331.08057	100.0
331.11783	26.2
331.17209	27.4
332.04575	0.7
332.08350	8.1
332.12189	2.1
332.17477	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	331.1541
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
62.81943	1.6
65.03956	1.9
70.38121	1.5
70.50702	2.9
79.05510	4.2
81.07069	3.5
91.05489	37.6
92.58190	1.7
94.04202	3.1
95.04980	5.1
98.98467	55.1
103.05474	4.5
105.07044	6.3
107.04966	7.1
109.06559	4.4
109.80676	1.4
117.06986	1.8
119.04951	22.9
121.06491	8.8
122.03631	9.4
123.08146	1.6
128.06248	5.1
129.07010	15.3
131.04956	6.4
133.06488	2.6
135.08060	5.1
136.05278	2.9
137.05977	78.4
138.06363	2.2
141.07048	1.8
145.06488	5.0
146.03610	2.5
147.08043	1.7
149.06003	10.8
151.03926	4.2
151.07547	100.0
152.06233	5.6
152.07880	1.9
153.07068	2.4
157.06451	10.9
159.04420	2.1
161.05975	14.2
161.09651	4.9
163.07550	22.2
165.06979	17.4
165.09076	3.4
166.07826	4.3
167.08551	15.9
174.06804	6.8
175.07607	5.1
176.98848	3.5
177.06970	2.6
177.09196	2.2
178.07790	7.1
179.08543	1.7
181.06479	5.5
181.10173	1.9
182.07288	4.5
183.08116	2.2
189.09109	33.9
191.08778	1.9
192.09381	2.8
193.06534	4.4
193.10112	7.9
194.07240	3.7
195.08051	25.3
196.05148	2.2
196.08704	2.0
197.06026	4.8
203.08498	2.3
206.07289	2.6
207.08096	3.1
207.10226	4.3
209.06033	3.0
209.09534	4.0
210.06778	10.3
211.07483	5.1
212.08421	4.9
221.06061	10.7
221.09586	14.6
221.52585	1.7
223.07562	12.7
224.08342	5.3
225.05405	2.8
225.09109	13.3
227.07153	1.8
227.10666	32.3
228.11052	2.5
237.09140	3.5
238.06302	6.5
239.06825	2.5
240.07773	3.0
241.08534	2.0
241.12279	2.2
249.09160	6.9
253.08531	14.2
253.12335	13.8
255.06468	3.2
255.10194	26.5
256.10660	2.2
267.10153	6.2
269.08069	6.0
270.05264	1.6
270.08859	2.4
272.10449	4.1
281.11728	5.0
285.11267	16.8
287.12799	35.2
298.12131	2.2
299.12769	2.2
301.14386	1.9
313.14374	13.2
331.04462	3.9
331.08170	3.6
331.11789	4.9
331.15390	3.2
332.22522	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	331.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66087	0.4
60.04501	0.5
65.76526	0.3
68.99796	0.5
71.30514	0.5
79.05508	0.3
91.05457	0.8
92.05884	0.3
92.17883	0.3
93.07066	0.4
95.04979	0.4
98.98470	18.7
103.05527	0.4
107.04971	0.5
109.06488	0.4
121.06483	1.8
122.03634	0.6
122.06846	0.6
128.06198	0.4
129.07011	0.8
131.04929	0.8
132.23741	0.3
134.03096	0.4
137.05983	3.7
147.04424	0.4
149.02383	0.5
151.03922	0.7
151.07567	0.8
153.01819	2.7
153.07027	0.6
163.07552	0.4
167.08543	0.5
168.05667	0.4
169.06412	0.6
174.99431	0.5
176.98924	1.0
179.03409	8.1
180.03778	0.6
185.05991	0.3
189.09081	1.3
197.05890	0.6
203.03427	0.4
211.07584	0.6
213.05450	0.8
225.09076	0.3
241.04826	0.4
242.05986	0.5
270.05347	1.9
287.04703	0.5
288.05139	0.4
297.03757	0.5
298.04269	0.5
299.05276	0.5
315.04132	2.1
316.04926	1.7
331.07397	11.3
331.17267	100.0
332.07913	0.7
332.11743	0.5
332.17664	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	331.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05509	3.4
59.05009	1.5
65.03941	0.9
67.05506	6.8
69.03433	1.3
69.07088	8.4
79.05505	4.4
81.07057	10.6
83.04977	2.6
83.08617	1.6
85.06535	0.9
91.05476	10.4
93.07053	9.3
94.28996	0.8
95.04961	5.0
95.08612	12.0
97.06542	7.6
97.10177	1.2
98.98470	55.4
100.98874	1.3
103.05460	1.4
105.06369	1.5
105.07027	14.5
105.07683	1.4
107.04931	3.4
107.08585	8.4
109.02962	0.8
109.06494	5.1
109.10158	9.9
111.08094	1.6
115.05460	2.0
116.99527	1.4
117.07019	3.3
119.04930	1.8
119.08588	11.9
121.06507	14.4
121.10148	6.8
122.03664	1.2
122.06830	3.6
123.04426	1.5
123.08022	1.0
123.11713	4.1
128.06227	1.7
128.33014	0.8
129.07024	5.4
131.04918	1.9
131.08580	7.3
133.02850	3.8
133.10136	8.1
133.11972	0.7
135.04391	1.3
135.08054	4.7
135.11659	2.2
137.02309	0.8
137.05975	8.8
140.06157	1.3
141.06966	3.3
142.07770	2.6
143.08572	5.8
144.09314	1.0
145.06543	1.6
145.10129	12.5
147.04414	1.8
147.08069	2.3
147.11684	6.8
149.06010	3.8
149.09634	2.3
149.13249	2.9
151.03888	1.6
151.11107	1.0
152.06201	3.4
153.01826	3.1
153.06998	7.7
154.07698	1.5
155.08563	6.1
156.09360	1.1
157.06493	3.5
157.10097	9.0
157.58261	0.7
158.07237	1.1
158.10826	1.1
159.08063	4.3
159.11696	14.3
160.12091	0.9
161.06059	1.0
161.09615	2.5
161.13260	16.2
163.11192	1.6
163.14835	1.3
164.07066	1.2
165.05525	2.4
165.07047	9.3
165.09096	1.1
166.07562	1.0
167.04887	1.6
167.07007	2.5
167.08559	2.4
168.05731	6.5
168.09364	1.0
169.06494	3.0
169.10126	8.5
170.07208	2.6
171.08031	1.6
171.09564	0.8
171.11646	4.7
173.09647	4.1
173.13264	14.8
175.07570	2.3
175.11200	3.3
175.14841	2.0
176.98900	4.2
177.05449	1.0
179.03438	5.2
180.05606	0.9
181.06490	8.8
181.10118	1.2
182.07237	3.6
182.10890	1.4
183.08047	6.8
183.11684	10.0
184.05144	1.6
184.12405	1.2
185.05984	5.5
185.09618	1.3
185.13274	3.7
186.06697	3.1
187.11176	2.3
187.14799	1.1
189.09164	1.2
189.12767	1.1
191.10806	0.9
193.06456	1.4
195.08080	1.3
196.05305	4.5
196.12482	1.1
197.05989	5.5
197.13249	7.5
198.06795	4.0
199.07550	3.0
199.14842	8.1
200.08177	0.9
201.12747	3.9
201.16333	1.1
207.04416	1.7
208.05193	1.3
209.06024	3.1
209.13284	1.1
210.06790	3.0
210.14146	0.8
211.07535	9.1
211.10965	0.9
211.14812	5.0
212.04659	2.0
212.08240	2.6
213.05472	8.8
213.09079	2.5
213.12819	0.9
213.16402	6.0
214.06146	5.7
215.07065	1.7
215.10715	1.0
215.14343	1.6
215.17950	6.4
221.06061	2.0
223.07594	2.3
224.04700	1.6
224.15678	1.4
225.05414	2.3
225.09108	3.4
226.06210	2.2
227.07062	5.3
228.07788	4.4
229.05032	0.9
229.12253	1.1
229.15939	10.1
229.19424	4.2
230.05751	3.1
230.16269	1.0
237.05490	1.2
238.06303	4.0
239.07019	3.7
239.17952	43.4
240.07834	1.7
240.18285	3.0
241.04982	3.6
241.08643	2.8
241.19502	2.3
242.05719	3.8
243.06573	1.7
243.10211	2.7
245.08080	1.3
251.06921	1.1
253.05008	1.2
253.08578	2.7
255.06604	3.8
256.07312	2.4
257.08099	3.4
257.19006	100.0
258.08835	0.9
258.19345	7.0
267.06464	0.8
267.17484	2.6
269.04333	1.3
270.05191	16.3
271.05511	1.0
271.09677	4.6
272.10355	1.5
275.20105	2.8
281.07919	1.3
285.07715	1.0
285.18500	17.4
287.05423	2.0
288.09937	2.0
297.03928	2.6
298.04779	5.4
299.05457	2.2
299.09070	3.1
302.04123	2.2
302.11630	1.2
303.19522	17.3
315.05048	5.1
316.05698	4.6
316.09341	1.9
331.08057	40.5
331.11755	77.4
332.08414	3.5
332.12106	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	331.2243
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
70.82052	1.2
93.07029	0.9
98.97858	1.2
98.98467	13.9
176.98944	0.9
179.03401	0.9
182.99054	0.7
331.22427	100.0
332.22778	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58211	1.3
55.05507	11.0
57.03424	5.8
57.07078	100.0
58.06598	1.4
58.07397	2.0
67.05186	1.9
67.05508	24.7
68.05838	1.3
69.07072	16.0
69.07854	7.8
69.08261	3.1
70.06577	5.7
71.06927	2.1
71.08632	71.6
75.04468	2.8
79.05479	3.1
81.07061	30.6
83.08618	27.3
85.10185	36.4
88.07626	7.0
89.06030	1.5
89.07944	1.5
91.05472	2.7
93.07040	3.1
95.08612	51.6
96.08936	2.0
97.10179	13.4
98.98474	33.9
99.11740	2.4
102.09172	2.6
105.07034	1.6
106.08675	3.6
109.10159	26.8
111.11713	2.9
119.08568	3.2
119.91817	1.4
121.10198	2.5
123.11723	11.3
125.13276	2.7
137.13249	5.9
151.14807	2.8
174.91183	1.6
176.98943	3.4
190.88603	1.7
221.22581	2.0
227.12560	1.4
239.23653	12.6
257.24774	6.4
259.57385	1.4
277.25909	1.5
313.27359	56.0
313.33072	3.5
314.27762	2.7
331.23630	5.2
331.30057	3.1
331.33984	64.1
332.34027	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01858	0.5
57.03433	1.3
58.10408	0.4
61.02925	1.4
65.03935	1.5
67.05510	2.8
69.02055	0.3
69.03440	5.9
70.06583	1.0
71.04995	0.6
72.08159	1.3
73.02931	1.4
73.06567	0.3
79.05499	1.1
81.03416	2.1
81.07048	0.7
84.08144	0.9
85.02906	5.4
86.06081	2.2
86.06524	0.4
86.09706	1.2
87.04462	1.5
91.03972	0.3
93.05798	0.7
96.08128	1.1
97.02908	2.5
99.04465	0.6
104.10748	0.8
106.06570	4.8
108.08121	100.0
109.02895	1.1
109.08446	2.9
116.07111	0.4
123.06808	4.1
124.07597	16.9
125.07922	0.4
127.03912	1.5
134.06020	9.5
136.07584	12.9
136.76689	0.3
142.11800	0.3
143.01898	0.5
149.38028	0.4
152.07072	65.0
153.07433	2.1
153.86453	0.3
154.08656	1.6
157.13303	0.4
170.08110	6.9
170.09305	0.5
171.02859	0.7
193.24055	0.4
219.09738	0.4
245.11458	0.4
271.11774	0.4
314.12344	36.9
315.12689	1.9
332.13416	45.1
333.05463	0.5
333.11588	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	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
57.03420	1.2
61.02920	2.3
67.05502	2.8
69.03436	5.8
71.20225	0.8
73.02914	1.4
80.30766	0.9
81.03407	1.4
85.02905	5.6
87.04482	1.5
96.08116	1.1
97.02901	2.7
99.04455	0.8
104.10765	2.1
106.06569	4.6
108.08119	100.0
109.08444	1.7
123.06841	4.0
124.07598	16.5
127.03919	0.9
131.03493	0.8
134.06017	9.8
136.07578	13.3
152.07071	61.6
153.07419	1.3
154.08661	2.0
170.08122	7.5
216.54633	0.7
250.50768	0.7
314.12347	36.9
315.12607	1.8
332.13406	47.4
333.13693	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
56.78263	0.5
57.03434	1.4
61.02918	1.4
64.30972	0.4
64.93840	0.5
65.03934	1.6
67.05503	2.5
69.03431	6.4
70.96143	0.8
71.05000	0.6
73.02911	1.0
79.05478	1.7
81.03418	1.9
81.07076	0.7
85.02911	7.1
87.04461	1.5
92.05030	0.5
93.05781	1.0
96.08131	1.6
97.02885	3.1
98.98457	1.4
99.04456	0.5
104.10736	0.7
106.06557	4.0
108.08123	100.0
109.02902	1.0
109.08450	2.2
123.06821	4.1
124.07604	17.1
127.03908	1.8
129.30501	0.5
134.06029	11.0
136.07578	12.4
145.04944	0.8
152.07074	69.2
153.07384	1.6
154.08647	1.4
170.08148	6.1
171.02902	0.7
188.45859	0.5
259.66156	0.5
314.12338	35.0
315.12735	2.3
332.13409	46.0
333.13864	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	332.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13085	1.0
53.03952	1.2
54.23191	0.8
54.58503	0.9
55.01870	1.3
57.03437	2.5
60.04530	1.8
61.02927	3.8
67.30275	0.9
67.46285	0.8
69.03433	7.1
69.07072	1.5
69.37995	5.8
70.15773	0.9
71.04996	10.7
72.61205	0.9
79.05492	3.3
81.03420	2.8
81.07071	4.4
82.08510	0.8
84.08159	1.8
85.02907	39.8
85.06534	3.3
86.09715	9.5
90.17120	0.9
91.03977	2.3
91.05488	1.2
93.07056	2.7
95.08601	1.1
97.02877	8.0
98.98474	5.3
103.05486	1.6
105.07034	11.6
106.07371	1.0
107.08582	2.4
109.02897	3.6
120.05738	1.6
121.13043	1.0
121.27365	0.9
127.03928	6.1
135.08055	100.0
136.08391	2.8
139.36047	0.8
141.62509	0.9
145.04947	13.6
149.55875	1.0
153.09126	1.1
154.35426	0.9
163.06049	2.7
173.12872	7.2
179.03369	5.9
180.03731	8.3
201.12425	1.1
204.56322	1.1
209.15363	0.9
256.94849	1.0
332.05338	1.4
333.06009	2.9
348.14252	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	332.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
60.04513	5.4
61.02918	8.4
62.92597	2.6
67.05495	2.5
69.03436	13.9
69.07062	3.1
69.49622	8.0
70.06615	5.8
71.04996	100.0
76.27044	2.4
79.05491	3.2
81.03421	5.4
81.07058	37.8
83.08614	4.3
84.08131	11.6
85.02910	69.6
85.06543	23.3
86.09716	28.6
91.03989	2.7
91.05492	11.7
93.07042	18.6
95.08595	8.1
97.02895	21.9
98.23325	5.0
98.98474	11.3
105.07048	4.6
107.08609	14.5
107.09241	2.5
109.02898	4.3
109.25147	2.5
127.03906	13.2
133.10158	7.2
135.08060	9.8
135.11659	15.8
137.13275	10.6
145.04977	23.7
147.11589	2.9
163.06021	10.6
173.12881	19.1
175.04906	2.5
179.03416	11.7
180.03743	9.4
193.12048	2.5
199.35460	2.3
201.12405	4.8
306.37546	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	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
56.05040	7.5
57.07082	5.7
58.06592	4.4
60.04525	4.3
65.03942	1.8
66.04260	0.8
68.39179	0.5
70.06593	0.6
71.08637	3.1
72.04514	0.6
74.06082	6.6
81.07059	0.9
82.15067	0.5
85.10168	1.2
86.06097	0.8
88.07088	1.3
88.07633	28.2
91.05486	100.0
92.05817	48.3
93.06106	0.6
93.07056	0.7
95.08614	0.8
98.98470	3.7
106.06572	3.5
107.06901	2.0
118.08662	4.8
120.08112	3.1
121.08476	1.3
122.08119	4.2
150.48892	0.6
166.07613	1.1
167.08133	1.3
181.10179	2.7
182.10464	4.4
198.12747	4.6
199.13129	7.7
213.56976	0.6
227.36980	0.6
228.83015	0.6
284.29501	21.8
285.29761	1.3
314.30527	2.3
332.18433	18.3
332.31601	63.5
333.16782	2.3
333.32047	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	332.8214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51831	1.0
69.35052	0.8
69.49004	1.4
69.49410	4.4
93.37861	0.8
94.93020	91.2
105.45557	0.8
109.91707	7.2
121.91727	1.1
148.88077	3.5
159.48558	0.9
160.03571	0.8
170.61447	0.8
176.87671	1.1
196.62953	0.9
204.87044	100.0
205.87593	0.9
230.05327	0.8
260.83661	2.6
269.53244	0.8
306.91998	0.8
353.08582	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	332.8214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51831	1.0
69.35052	0.8
69.49004	1.4
69.49410	4.4
93.37861	0.8
94.93020	91.2
105.45557	0.8
109.91707	7.2
121.91727	1.1
148.88077	3.5
159.48558	0.9
160.03571	0.8
170.61447	0.8
176.87671	1.1
196.62953	0.9
204.87044	100.0
205.87593	0.9
230.05327	0.8
260.83661	2.6
269.53244	0.8
306.91998	0.8
353.08582	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	332.8941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67896	0.7
54.18944	0.8
59.10696	0.7
70.71037	1.4
77.44593	0.7
80.31978	0.9
88.89471	0.8
94.93009	1.0
98.98489	0.8
132.80695	0.8
136.94026	100.0
139.65733	0.8
155.24222	0.8
158.91269	1.4
159.07965	0.9
179.09047	2.0
196.86845	10.7
197.10127	5.0
205.31224	0.8
206.24904	0.9
212.84225	9.0
213.07521	4.0
234.91733	5.0
235.05737	8.5
251.03171	1.8
253.05539	6.3
272.97937	1.1
290.98932	5.8
315.00238	1.4
333.01166	10.3
350.79053	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	333.0604
Annotation	Laricitrin
Peak:m/z	Relative Intensity
55.01866	0.3
65.03957	0.4
67.01858	0.4
68.99789	1.9
69.03429	0.6
71.30734	0.2
71.31120	0.3
79.01849	0.3
79.05482	0.4
81.03430	0.5
91.05479	0.3
93.07040	0.3
95.04998	0.3
98.98482	0.9
105.07030	0.3
107.04965	0.2
108.02126	0.6
109.02880	1.7
111.00818	1.5
111.04418	0.4
115.05386	0.2
121.02877	0.6
121.06496	0.6
123.04411	1.1
125.02354	0.5
125.05972	0.2
125.45394	0.2
126.03175	0.4
133.02968	0.3
133.06557	0.2
135.04468	0.3
137.02339	1.9
137.06007	0.2
138.03137	0.6
139.03909	3.6
140.04736	0.4
143.03429	0.3
147.04405	0.5
151.03922	0.8
152.01096	0.4
153.01837	17.3
153.05356	0.5
154.02167	0.5
157.04956	0.3
160.05167	0.3
161.06007	0.4
163.03922	2.9
165.01811	2.8
166.02617	1.4
167.03416	3.3
167.04703	0.3
167.07030	0.5
171.04390	0.4
175.03897	0.3
177.05482	0.3
179.03345	1.3
181.05005	0.6
183.02925	1.0
188.04692	0.4
189.01744	0.3
189.05563	1.0
191.03458	0.3
192.04231	0.6
193.01320	0.3
193.04987	1.7
195.02937	0.3
199.03970	0.5
203.03487	0.4
204.04106	0.3
205.04942	1.3
206.05756	1.2
207.02934	0.5
208.03668	1.8
210.01706	0.4
215.03485	0.3
216.04225	1.7
217.04962	5.8
218.02003	0.3
219.02905	7.7
220.03441	0.5
225.01924	0.3
227.02275	0.4
230.00970	0.5
231.02916	0.4
231.06554	0.5
232.03661	0.2
233.04446	3.6
234.01657	0.3
234.05165	1.0
241.05016	0.6
243.02945	1.6
244.03677	3.8
245.04460	7.3
246.04988	0.3
247.02365	0.4
249.03859	0.3
253.01369	0.3
255.02634	0.7
257.04480	0.3
259.06061	1.1
261.03961	2.5
262.04678	0.6
269.04684	0.3
271.02249	0.2
272.03152	1.2
273.03970	5.9
274.04214	0.5
275.00797	0.8
277.07153	1.5
285.99988	0.4
287.05621	1.9
289.03458	3.9
290.04156	2.7
299.01999	0.3
300.02493	1.2
301.03357	10.8
302.03760	0.8
303.00494	1.1
304.05786	0.7
315.05045	0.6
317.02899	0.7
318.03690	15.5
319.04050	0.8
333.06009	100.0
334.06384	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	333.0605
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
53.39339	0.2
60.04512	0.4
63.63041	0.2
65.03946	0.4
68.99810	0.7
69.03428	0.3
69.07084	0.3
69.85930	0.9
81.35298	0.4
84.08150	0.3
85.02916	0.8
86.09702	2.3
87.05621	0.3
91.05502	0.7
92.02657	0.3
93.03422	1.1
95.04955	0.3
95.08602	0.8
97.02879	0.4
98.23339	0.3
98.98478	0.9
99.00822	0.5
101.09879	0.2
107.04967	0.3
111.04477	0.3
112.01604	0.5
113.09676	0.7
121.02877	1.2
121.10310	0.2
122.03682	0.5
123.04452	2.8
127.00284	0.6
127.03965	0.4
127.11200	0.2
137.02354	2.4
139.00281	0.6
140.01103	0.4
142.02629	1.0
147.04407	1.6
150.03091	1.6
151.03894	0.4
153.01848	0.3
153.12741	0.7
154.02650	0.5
159.04456	0.2
160.05243	0.4
168.00546	3.9
169.01326	13.1
170.01776	0.4
171.13777	0.3
173.05975	0.3
173.12877	2.0
174.03177	0.4
174.13132	0.3
175.03981	0.3
179.03348	0.3
186.01617	1.9
187.03999	0.3
201.12357	0.3
202.02560	0.3
203.03423	0.9
215.03473	0.5
216.04218	1.0
217.04951	0.5
219.02890	0.6
227.03441	0.4
231.02954	0.6
233.04517	1.0
234.05237	0.3
244.03688	4.9
245.04437	2.2
247.02371	0.9
261.03998	1.5
262.04691	0.8
272.03146	3.1
273.03925	6.9
274.04303	0.3
283.02597	0.5
287.02231	0.5
289.03458	2.4
290.04272	1.6
300.02707	1.2
301.03430	16.9
302.03787	0.8
317.02890	2.8
318.03705	65.2
319.04074	3.1
333.06042	100.0
334.06381	5.2
340.87463	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	333.0607
Annotation	Nidifocene
Peak:m/z	Relative Intensity
50.16108	0.4
55.05534	0.6
66.01102	0.5
67.05521	0.9
68.99819	1.1
71.05437	0.6
73.72222	0.5
79.05501	0.7
81.03435	0.5
81.07076	1.1
81.35289	0.7
83.05026	0.4
86.09731	1.3
91.05509	0.8
93.07073	1.3
95.04991	0.5
95.08624	0.8
98.98474	3.9
98.98929	0.4
105.07058	1.2
107.08614	0.8
108.02148	0.7
109.02905	1.1
109.10188	0.5
111.04484	0.7
119.08669	0.7
121.06528	0.8
126.03175	2.7
135.08052	0.6
137.02354	0.9
137.05963	0.5
139.03923	0.4
149.09593	0.6
153.01837	10.9
160.07545	2.3
166.02666	2.0
170.02238	0.5
176.98982	0.7
179.03403	0.9
188.04832	0.9
191.03421	0.7
193.01337	0.7
202.02548	0.7
202.08589	2.7
203.08986	0.8
205.04980	1.1
206.05823	0.8
208.03574	1.1
216.04205	3.5
217.04965	1.0
219.02911	4.8
219.11334	1.3
220.03636	0.5
220.11555	0.8
230.02118	0.8
233.04472	1.2
234.05202	0.5
243.02867	1.0
244.03690	6.3
245.04413	3.9
261.03915	2.9
272.03125	2.1
273.04013	3.5
289.03394	3.5
290.04172	6.0
301.03448	8.9
315.19452	1.0
317.02930	13.9
318.03705	69.6
319.04025	3.6
333.06039	100.0
333.20004	2.1
334.06418	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	333.0814
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.85968	3.2
66.93726	3.1
69.03419	6.7
70.75699	6.4
74.06110	4.0
81.03411	25.9
84.08137	5.8
85.02923	20.5
86.09698	5.4
97.02890	8.1
103.80373	3.0
106.78710	3.3
107.01330	19.0
108.08108	13.1
109.02870	32.6
109.08447	13.7
125.02325	13.6
125.07937	3.0
127.03905	57.6
132.45535	2.9
133.06030	4.6
143.01889	10.5
152.07077	7.2
153.01840	48.7
153.07414	11.0
161.02966	7.0
171.02890	100.0
173.12785	10.3
183.51965	3.2
203.03928	6.9
221.05081	3.2
271.11536	4.3
315.12711	10.6
333.11145	30.7
333.17575	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	333.1179
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
53.03950	3.8
55.13067	3.3
58.39435	3.5
60.04518	5.7
61.02922	4.5
61.12826	3.5
65.03944	10.1
68.99786	4.0
69.03437	15.1
70.06596	4.5
71.28975	4.1
72.08160	11.3
72.98389	4.3
73.08472	4.5
78.60313	3.4
81.03422	5.4
83.04960	5.0
84.04518	11.4
84.08159	18.1
85.02914	51.2
86.09709	32.0
87.10031	4.6
93.03423	5.8
97.02908	13.9
98.98476	29.5
107.04936	4.4
109.02859	8.7
111.04436	50.8
113.96009	3.5
127.03924	14.2
130.06546	7.0
132.08090	5.2
132.10251	6.4
139.03909	100.0
145.04990	8.1
153.01862	8.3
153.06573	5.2
159.09207	12.1
170.06049	8.3
171.02928	9.0
171.06529	93.9
176.98906	4.6
179.03442	10.7
181.03886	6.1
185.16386	5.0
216.14258	4.0
237.08401	6.2
287.11023	15.4
299.10370	4.4
333.11554	37.7
333.18243	3.9
334.13718	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	333.1179
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
50.03833	2.4
51.74660	2.2
55.01855	3.2
57.03400	3.0
59.89108	2.3
61.02921	3.4
63.32866	2.4
65.03936	9.9
68.99786	5.3
69.03421	11.6
69.68715	11.2
77.19881	2.4
80.79716	2.3
81.03417	6.2
83.03335	2.4
83.04980	5.6
85.02911	44.4
93.03380	5.8
97.02898	11.3
98.22626	2.9
98.98463	7.4
99.04417	3.4
101.06206	2.7
104.83815	2.6
109.02847	4.7
111.04447	50.5
118.12910	2.8
119.15186	2.5
121.03994	5.0
127.03899	8.0
139.03909	100.0
141.63692	2.8
145.05013	4.0
156.04153	5.3
169.04904	2.6
171.06520	96.4
171.07991	5.1
203.05269	3.2
287.11026	15.4
294.70538	2.5
333.11539	31.7
341.63818	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	333.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02841	0.4
54.13547	0.3
55.71360	0.3
69.36146	2.0
70.57951	0.4
72.08150	0.5
74.02452	0.6
77.27164	0.4
79.05489	0.5
81.07050	0.4
86.09698	0.8
88.03983	1.1
91.05484	3.9
93.07129	0.3
98.98476	2.2
107.04967	1.9
109.06472	0.4
116.03474	0.3
119.04948	2.4
120.08131	0.6
123.04430	1.6
125.01584	0.5
130.06454	0.6
134.04491	1.2
135.04424	3.0
136.04800	0.5
137.05981	13.3
137.07043	0.6
147.04401	2.0
152.07091	4.0
153.05470	0.8
154.08643	1.2
155.00725	0.5
161.02365	0.6
162.05486	0.6
163.03929	0.9
164.07051	1.8
166.08607	0.9
171.02048	1.1
171.09901	2.7
172.02409	1.4
173.01813	2.2
180.06551	1.1
189.01840	1.2
192.06583	0.9
194.08093	2.8
195.10231	0.4
202.27441	0.4
217.01482	0.9
235.02411	0.6
245.00816	1.4
249.04004	1.1
271.09625	0.5
273.00272	0.9
288.12308	0.8
308.40939	0.4
315.10080	0.4
316.08548	0.5
316.11853	1.3
333.02374	1.6
333.15192	100.0
334.12128	0.6
334.15839	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	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	36.8
57.03441	23.3
57.77539	11.5
64.55624	13.7
67.05505	32.7
69.03430	26.0
69.07065	28.5
71.04989	39.2
71.28810	13.5
73.02924	12.3
79.05488	35.7
81.03444	16.4
81.07053	42.3
85.02892	93.6
91.05479	29.2
92.53471	12.0
93.07043	73.8
95.04956	15.6
95.08604	28.7
97.02834	17.2
98.98477	100.0
100.98875	15.6
105.07028	64.6
107.08609	59.4
109.02875	18.2
109.06511	15.8
115.05449	13.1
117.07040	12.9
119.08572	40.4
121.06474	34.3
121.10126	21.3
123.08007	12.7
127.03935	16.3
131.08621	31.7
133.10060	12.7
135.11691	25.5
143.08586	22.1
145.04951	21.2
145.10127	28.5
147.08089	32.2
147.11658	22.8
153.01799	32.2
153.05528	23.1
153.12737	40.0
163.03883	13.5
165.12804	32.2
173.09604	22.1
176.99030	15.5
255.11026	15.9
273.12317	20.1
287.12543	14.5
315.12225	27.1
333.13361	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	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03947	5.4
55.01865	5.8
55.05499	5.1
57.03431	12.0
57.07071	21.5
59.05003	13.1
61.02925	11.3
67.05497	15.4
69.03436	33.9
69.07072	15.4
70.55064	4.9
70.55386	2.4
71.05003	9.2
73.02908	8.4
76.61053	2.5
79.05479	3.3
81.03414	15.3
81.07054	9.5
83.04993	3.2
83.08627	5.5
85.02905	100.0
85.06514	13.8
86.09730	3.3
87.04472	6.9
91.03952	7.5
91.05484	23.1
93.07040	6.2
95.04989	5.1
95.08609	77.2
97.02898	30.3
97.06533	8.5
98.23363	2.9
98.98470	16.7
99.04465	5.9
99.08093	16.1
105.07034	5.3
107.08611	12.9
109.02856	6.3
109.06496	11.7
109.10159	22.2
111.08102	15.2
111.11700	2.9
113.09650	83.9
121.06515	4.5
127.03899	20.3
127.11189	57.4
128.11543	2.5
135.11696	18.9
137.13240	4.3
145.04977	24.5
152.58714	2.5
153.12744	86.6
155.14331	14.3
171.13814	48.2
177.12758	3.7
184.50700	2.7
195.13716	2.6
213.14880	3.5
213.47244	2.4
270.09943	3.0
271.77478	2.5
301.11948	14.3
333.14603	3.8
333.18634	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	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26381	0.9
55.05499	1.5
57.03419	1.4
58.14573	0.9
65.03933	1.2
69.03416	2.2
69.07059	1.9
71.05008	1.7
75.97910	1.0
79.05506	1.9
81.03397	1.1
81.07055	2.7
85.02900	5.3
91.05472	4.1
91.28973	0.9
93.07040	3.0
95.04943	1.1
95.08596	2.4
97.02904	1.6
98.98472	6.6
103.03936	1.2
105.07039	2.7
107.08591	3.8
109.02837	2.7
109.06529	1.0
109.10139	1.5
109.52370	1.0
117.07039	1.2
118.13579	1.0
119.04874	1.0
119.08566	2.6
121.06501	2.5
123.08108	1.4
124.01568	0.9
126.03104	2.6
130.96024	0.9
131.08522	2.1
135.11678	1.7
137.02316	2.2
137.05942	1.9
138.03082	1.2
143.08562	2.3
145.02852	1.1
145.10112	2.0
146.03246	1.4
147.07942	1.7
151.03963	1.8
153.01837	21.1
153.05463	1.2
153.12639	1.2
161.09512	0.9
163.03923	5.0
165.12778	1.3
166.02641	2.1
177.05495	1.4
178.05838	2.1
179.03268	1.0
179.05872	1.9
180.06313	2.0
181.04971	2.3
181.08553	1.2
188.04620	1.3
189.12639	1.1
193.04999	1.4
203.03296	1.1
205.04970	1.2
208.03542	1.7
213.26283	1.1
216.04175	3.0
217.04947	2.7
219.02905	5.3
231.13887	1.6
233.04425	1.6
243.02887	1.9
244.03706	6.5
245.04440	6.3
261.03955	4.0
261.14819	1.0
269.18854	0.9
272.03036	2.7
272.05750	3.0
273.03891	3.2
288.47574	1.1
289.03452	3.4
290.04153	5.9
301.00293	1.1
301.03397	13.5
302.03757	1.2
317.02847	11.5
318.03683	60.3
319.03842	4.5
333.05939	100.0
334.06384	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50501	0.4
68.06528	0.4
68.40583	0.4
96.57668	0.4
108.54719	0.5
118.21067	0.5
119.08590	0.4
135.45096	0.4
140.22864	0.4
179.59352	0.5
189.67856	0.4
199.48135	0.4
227.30400	0.5
231.21536	0.4
234.77545	0.5
239.87064	0.5
263.12720	0.5
264.13461	0.5
292.68524	0.4
333.20367	100.0
334.20703	9.6
334.27255	0.8
335.88785	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67020	1.0
58.06578	1.7
61.67335	1.2
65.98579	1.0
69.61477	5.3
74.06087	1.4
75.53212	1.2
87.04428	1.7
88.07619	6.9
98.98478	8.8
165.12756	1.5
192.90128	1.2
193.04799	2.1
219.53769	1.2
242.24762	6.3
286.27380	2.3
333.16626	22.6
333.20303	100.0
334.17178	2.0
334.20740	8.4
334.29535	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38055	1.1
69.53307	5.9
88.07616	3.0
91.05466	1.1
93.07057	1.8
95.08611	1.8
98.98505	7.2
116.22338	1.0
135.18419	1.0
165.12686	1.2
218.97469	1.0
235.13020	1.9
239.36571	1.0
251.12637	2.0
262.47348	1.0
317.21091	1.9
333.16656	17.5
333.20328	100.0
334.17184	1.1
334.20670	4.9
334.29474	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	24.7
62.85755	13.8
69.45782	61.2
69.46186	26.1
72.04522	15.9
79.05495	15.0
81.07073	16.1
91.05542	16.1
95.08622	17.6
98.98484	51.0
99.08120	12.4
102.05526	15.3
107.08586	15.0
111.04514	17.8
123.04449	69.4
131.45308	12.8
165.12764	24.6
176.27386	12.8
271.24646	72.7
315.19296	18.1
333.16614	69.2
333.20444	100.0
333.24133	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94753	0.4
52.31459	0.4
52.83468	0.4
56.05030	1.4
56.71960	0.4
57.07072	1.2
58.06601	2.4
60.04503	0.5
65.53178	0.4
67.05486	0.5
71.08632	0.7
72.08147	0.6
74.06070	1.2
77.27634	0.5
86.06070	1.0
88.07633	9.8
98.98479	2.2
104.07132	0.9
105.07038	0.7
132.10228	1.7
162.11304	0.5
166.10715	0.6
198.99586	0.5
208.96184	0.5
242.24760	8.9
263.12659	0.6
286.27524	3.1
300.60547	0.5
315.19370	1.0
333.20355	100.0
334.20728	7.7
334.29495	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
57.07071	1.2
67.05486	2.0
69.07075	2.9
71.08652	1.4
71.41718	0.8
72.04538	5.6
79.05478	1.6
81.07041	3.1
85.06531	1.0
91.05476	1.4
93.07052	2.6
95.08607	3.1
98.98476	8.2
105.07017	1.5
107.08603	2.0
109.06511	2.1
114.09203	1.0
119.08563	1.6
123.85445	1.0
135.08020	1.1
142.76646	1.0
165.12772	8.6
193.05045	2.0
206.71124	0.9
212.08632	1.1
236.20093	2.4
289.21686	2.9
298.48865	1.0
333.16763	9.5
333.20367	100.0
333.24237	5.8
334.20663	4.8
334.27411	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59723	0.9
59.78625	0.7
60.04512	2.1
67.05500	2.5
70.04733	2.7
70.05083	0.8
79.05496	1.3
81.07072	2.0
84.73321	0.9
91.05484	2.5
93.07043	2.1
95.08620	1.8
98.98470	7.6
105.07029	2.9
119.08572	1.1
121.10172	1.5
133.10123	2.4
135.08136	0.9
159.11748	1.1
228.44020	0.8
247.12993	1.4
276.88898	0.9
315.19312	49.6
316.19626	3.0
316.28464	1.4
320.30344	0.9
333.20370	100.0
333.23782	3.5
334.20740	6.4
334.29486	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	333.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38814	5.4
55.05505	7.9
67.05511	27.5
69.07072	15.3
71.09045	10.7
74.16463	4.9
78.02096	4.7
79.05498	11.3
81.07048	24.3
83.04973	40.3
83.08604	8.9
91.05486	13.6
93.07050	14.6
94.96873	5.0
95.04968	13.2
95.08606	45.4
95.60300	4.8
97.06519	5.7
98.98467	16.2
104.76031	5.4
105.07063	12.8
107.08600	20.3
109.06511	11.0
109.10159	9.5
117.06965	6.3
119.08555	13.9
121.10133	26.4
123.08079	22.1
123.11745	6.1
129.57854	5.0
131.08575	5.7
133.10130	9.7
135.08060	86.0
135.11662	7.4
145.10135	10.8
147.11685	14.2
149.09642	10.3
149.13293	6.2
153.82137	5.7
157.10081	7.9
159.11696	6.9
161.09671	8.0
161.13277	11.5
163.11208	5.8
163.14886	5.3
173.13301	6.9
175.11189	9.3
175.14857	16.4
177.16408	8.0
187.14832	10.7
189.12741	28.8
201.16481	7.1
203.14311	19.3
205.15965	30.9
208.55540	5.2
217.15871	6.3
241.19598	7.5
255.20810	5.9
259.20584	100.0
273.22122	53.2
274.22385	6.2
301.21582	87.4
302.21912	6.3
319.22607	50.6
320.22943	6.8
333.16873	37.0
333.23969	8.8
333.34381	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	333.2424
Annotation	Sarcophytonolide A
Peak:m/z	Relative Intensity
55.05515	5.5
67.05499	7.8
68.58196	2.4
69.07065	7.5
70.89677	3.7
79.05469	3.2
81.07057	9.0
83.04968	13.2
91.05500	6.7
93.07057	7.2
95.04980	5.8
95.08616	17.1
95.56398	2.0
98.98454	10.8
105.07009	3.6
107.08604	10.5
109.06545	5.7
109.10175	7.3
111.04457	3.4
119.08585	6.6
121.10163	8.3
123.08076	10.0
123.11739	4.4
129.21327	2.5
131.08557	4.2
133.10150	8.1
135.08061	34.1
135.11650	2.6
141.12552	2.3
145.10170	3.2
147.11710	4.4
149.09650	5.6
157.10098	4.5
159.11632	4.0
161.09691	6.1
161.13226	5.4
168.89029	2.6
175.11151	11.5
175.14798	4.1
177.16380	5.1
189.12762	23.8
199.14824	4.1
201.16446	2.8
203.14331	7.3
205.15916	7.5
241.19498	3.4
259.20593	20.3
273.22147	59.5
274.22400	3.9
284.26254	2.2
289.21451	3.2
301.21634	100.0
302.22021	8.1
319.22989	2.8
333.05609	2.3
333.16797	18.2
333.24301	8.3
334.27197	3.0
352.05032	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	333.2634
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.81621	8.7
55.05516	11.0
67.05509	35.8
69.07074	19.6
71.29264	14.5
79.05509	10.2
81.07050	39.0
83.08641	10.0
88.07625	12.6
91.05499	17.8
93.07059	30.7
95.08623	28.8
98.98460	100.0
99.04496	11.6
105.07032	20.9
107.08614	13.5
109.10187	15.3
119.08593	11.4
121.10179	14.6
123.04446	44.0
153.01962	10.2
161.13237	11.3
176.98956	11.9
179.14252	11.0
228.23242	22.7
279.23364	19.9
300.02460	10.4
333.06784	9.3
333.20609	16.4
333.24326	16.8
333.28214	11.8
334.29486	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	333.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17963	2.7
52.12770	2.7
53.27295	2.8
55.01888	3.0
55.05507	5.0
57.07082	100.0
62.98270	2.6
67.05515	3.7
69.07062	7.2
71.08635	88.9
72.04526	23.3
79.05500	4.1
81.07049	6.1
81.73563	3.0
85.10190	46.9
89.06037	66.7
91.05489	5.5
93.07071	7.3
95.04966	4.7
95.08617	6.7
98.23377	5.8
98.98515	4.5
99.11762	6.4
105.06992	2.9
107.07066	4.1
107.08626	5.1
109.06536	6.9
109.10134	3.5
112.89624	3.5
114.09205	3.5
133.08633	11.2
151.09676	32.1
159.11726	3.1
165.12761	28.3
182.15445	3.6
220.17029	3.5
236.20111	10.5
271.21008	2.6
333.16891	15.7
333.20276	4.0
334.27438	10.5
338.74289	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	334.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03086	0.4
63.84455	0.4
71.10498	0.7
84.82008	0.4
100.66062	0.4
105.10459	0.5
137.05974	0.6
161.95825	0.5
172.03694	1.8
185.04240	0.7
253.55508	0.5
288.56012	0.5
334.08966	100.0
335.09259	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	334.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
85.77705	0.4
106.89887	0.3
172.03755	2.1
172.09654	0.7
185.04250	0.7
229.05875	0.5
245.66159	0.4
334.08972	100.0
335.09308	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	334.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73039	0.4
69.84822	0.5
70.06602	2.6
70.42957	0.8
73.19287	0.4
74.06101	0.6
80.64866	0.4
86.09706	0.6
109.06319	0.5
122.02139	0.5
122.15131	0.5
130.08626	0.7
138.05261	2.8
140.03192	15.9
140.04280	0.9
175.10817	0.4
189.15623	0.4
235.10587	1.7
237.08461	49.1
238.08751	2.1
306.14139	2.2
334.13733	100.0
335.14093	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	334.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04045	0.3
56.05040	1.7
69.79293	1.3
70.06600	2.6
72.08138	0.4
78.01782	0.3
84.04510	25.9
84.08158	2.0
86.09705	1.3
86.59113	0.3
91.05511	0.5
96.21041	0.3
98.23261	0.4
102.05544	1.2
104.05315	0.5
106.11080	0.3
115.05452	1.2
117.05746	0.6
117.07027	1.3
118.06549	21.0
119.06871	1.0
120.08121	1.2
129.06653	0.6
130.05016	5.5
130.06483	2.8
132.07166	0.5
132.08101	7.9
142.06519	2.4
143.07292	1.9
144.04393	0.5
144.08093	14.4
145.08446	0.5
146.06013	59.8
147.06372	2.3
150.05920	0.3
157.13365	0.7
159.09181	13.8
160.07631	1.4
160.09566	0.4
169.07675	0.7
169.09671	0.3
170.06021	5.1
171.06393	0.4
180.08095	0.4
187.08743	0.5
187.10764	0.4
188.07074	100.0
189.07420	4.1
199.61325	0.3
205.09738	18.2
206.10095	1.0
225.10246	8.9
226.10474	0.6
246.19495	0.3
263.14221	0.4
271.10776	2.1
316.12900	0.4
317.11237	2.7
334.13922	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03942	1.1
55.01860	0.5
55.05514	1.2
56.05038	1.1
60.12038	0.3
65.03959	0.3
67.05507	2.2
69.07059	0.5
70.75200	0.5
79.05494	1.3
81.07053	3.5
83.05003	0.4
91.05479	4.5
93.07046	10.4
95.04955	1.0
95.08622	1.9
98.09695	10.4
103.05476	4.2
105.04537	0.6
105.07021	1.0
107.08610	0.4
109.10184	0.8
119.08583	0.5
121.06509	100.0
122.06839	2.6
137.09538	0.3
150.03058	0.4
150.09184	0.4
218.15410	71.8
219.15781	3.3
265.72150	0.3
316.22684	3.0
334.13354	0.9
334.20276	0.4
334.23837	6.2
335.23392	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	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61453	0.3
52.54220	0.4
53.03942	1.3
54.06667	0.3
55.05515	1.2
56.05032	1.0
57.07073	0.5
65.42317	0.3
67.05515	3.0
69.07079	0.6
71.05010	0.5
71.29942	0.3
79.05495	3.2
81.07050	4.1
83.04980	0.8
83.08625	0.4
91.05478	3.6
93.07050	8.8
95.04967	1.0
95.08604	4.5
98.09693	9.9
103.05469	3.7
105.04488	0.6
105.07026	1.5
107.08602	4.0
109.10149	1.9
119.08593	1.4
121.06509	100.0
122.06846	2.5
128.68933	0.3
131.08557	0.4
133.10138	0.6
138.09119	3.2
149.13290	1.8
151.14832	0.7
161.13278	0.8
164.07605	0.3
166.08659	0.6
179.14317	0.5
193.12227	0.5
212.58601	0.4
218.15411	57.1
219.15771	3.8
227.67897	0.3
307.71341	0.4
316.19266	0.6
316.22742	7.7
334.19681	0.6
334.23795	5.9
335.18665	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	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33721	1.0
53.03932	1.1
55.01866	5.2
55.05500	5.5
57.03434	1.3
57.07085	6.6
59.02949	1.1
64.83264	1.0
67.05185	1.4
67.05513	13.3
69.07079	6.2
69.85934	5.4
71.08645	13.0
72.04520	84.0
79.05490	9.0
81.07056	15.0
83.08641	1.3
85.06542	3.9
88.07642	2.2
91.05476	11.4
93.07048	15.1
95.04970	18.2
95.08610	20.3
96.12027	1.2
97.06520	5.6
99.08090	5.8
100.07628	2.6
105.07037	7.7
107.08610	12.1
109.06525	26.2
109.10150	4.7
114.09180	15.3
117.07006	1.5
119.08567	6.7
121.06510	3.9
121.10127	3.8
123.08072	1.4
123.11753	1.5
128.10744	7.1
131.08560	5.7
133.10133	9.0
135.08034	3.6
135.11722	1.4
137.09604	2.6
142.12276	5.3
145.10126	2.8
147.11671	4.5
149.09544	1.6
149.13260	4.2
154.12300	1.8
156.13870	4.0
159.11658	2.1
163.11182	1.9
163.14755	1.6
165.12762	100.0
166.13115	4.1
168.13779	1.8
170.15387	2.0
173.13287	9.1
175.11182	4.7
177.12785	1.4
179.14287	1.4
180.13791	3.7
182.15408	13.8
183.11720	1.5
184.13368	2.0
184.16969	1.5
187.14767	2.3
191.14331	8.3
201.12755	4.9
212.16455	9.9
220.16960	10.6
222.38058	1.2
229.19563	2.6
236.20078	38.7
237.20432	2.5
243.21089	1.1
271.20441	5.6
278.20816	1.1
289.21661	8.2
291.22894	1.3
316.26184	5.2
334.27350	40.5
335.01813	1.3
335.27869	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	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72766	1.3
55.01863	4.6
55.05515	5.2
57.03434	1.5
57.07073	14.9
58.07405	2.3
67.05509	15.6
69.07066	8.5
71.08617	19.1
72.04517	76.8
72.08976	2.8
73.04841	1.6
79.05484	7.6
81.07056	20.6
85.06542	2.7
85.10180	5.5
86.10515	1.9
89.06023	7.3
90.06336	2.1
91.05458	7.2
93.07047	16.3
95.04967	18.0
95.08611	24.9
96.14939	1.3
97.06532	6.1
99.08083	6.7
100.07645	2.4
105.07042	11.1
107.08608	12.1
109.06512	19.9
109.10165	8.2
111.08075	1.6
114.09170	19.0
117.07059	1.9
119.08592	5.8
121.06515	4.0
121.10141	6.8
123.08092	2.7
128.10759	7.8
131.08580	6.1
133.10132	8.5
135.08055	2.7
136.28334	1.4
137.09601	2.8
140.10704	2.7
142.12276	5.7
145.10146	4.1
147.11700	4.4
149.09654	2.0
149.13316	3.3
151.09744	1.8
151.14790	2.7
156.13885	2.8
159.11728	2.4
163.11206	3.0
163.14774	1.7
165.12756	100.0
166.13144	2.4
171.11653	1.5
173.13312	6.8
175.11281	3.5
175.14853	2.0
179.14195	1.4
180.13814	4.0
182.15408	17.9
183.15804	1.3
184.13312	3.6
184.16928	2.2
191.14319	9.7
194.15454	1.9
201.12741	4.9
212.16458	8.9
220.16956	12.9
229.19534	4.0
236.20079	36.4
237.20422	1.6
261.22086	1.6
271.20602	6.0
278.21350	2.2
289.21561	8.8
316.26382	6.4
334.16861	3.0
334.27368	41.8
335.27994	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	335.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
54.00386	0.6
57.03436	2.0
69.03435	1.6
69.39108	2.5
71.04984	0.7
75.04490	1.8
78.58396	0.5
81.03426	14.1
85.02921	3.2
98.98470	100.0
99.04463	1.3
109.02882	14.6
109.03586	1.0
116.99548	1.5
118.97071	0.5
124.91331	0.6
127.03939	2.1
144.87280	0.6
145.05022	1.3
155.01042	0.7
163.06029	2.2
173.02121	16.2
177.98172	0.5
185.81450	0.5
191.03400	1.1
201.01967	0.5
201.12007	0.6
257.00894	0.6
261.00885	0.8
261.03699	16.0
275.01819	0.9
276.02661	1.5
291.04956	0.6
303.01413	6.2
315.16696	0.6
335.06918	10.1
351.04504	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	335.0737
Annotation	2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
52.03340	0.4
53.03954	0.8
57.03434	2.1
59.64520	0.5
69.03421	1.1
69.85226	1.9
71.05027	0.6
72.71578	0.5
75.04472	1.4
78.02558	0.5
81.03423	12.7
84.04527	0.5
85.02921	2.3
92.35854	0.5
98.98470	100.0
99.04452	1.6
109.02882	12.8
116.99521	1.7
127.03915	2.9
128.70702	0.5
131.04997	0.5
138.70403	0.5
145.04964	1.1
155.01044	1.2
161.03735	0.5
163.03960	0.6
163.06036	3.0
164.31665	0.6
173.02116	16.3
191.03395	0.8
191.05075	0.5
207.03085	0.6
219.02892	0.7
257.00674	0.7
261.03729	12.2
269.02844	0.5
275.01929	1.2
276.02734	1.7
285.00400	0.7
291.05054	0.8
303.01389	6.1
335.07169	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
67.51072	4.9
69.03716	30.8
69.04119	10.5
78.48529	5.1
98.14331	4.6
98.98508	6.1
149.21820	5.4
170.24689	5.1
202.65866	5.2
208.83496	4.6
223.89163	5.4
250.97780	6.5
253.16006	4.7
318.55554	5.2
335.07413	100.0
335.11075	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	335.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34697	1.2
55.20963	1.0
56.05037	40.0
61.00847	2.0
61.01152	31.5
69.48479	5.5
69.93201	1.1
70.06581	1.0
72.08162	7.6
74.09090	1.2
84.04508	100.0
85.02901	2.2
86.09695	3.5
98.06062	13.9
102.05547	28.2
104.05331	57.2
116.07089	7.9
120.08108	10.5
132.08035	1.8
143.11809	2.7
144.06555	72.2
144.75726	1.1
146.06349	29.1
159.09242	1.8
162.07620	78.7
163.07954	1.6
170.06027	1.5
174.05846	8.9
233.16705	1.4
234.52646	1.3
276.53702	1.2
281.11816	1.1
291.04999	3.6
319.11160	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	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20683	0.4
53.88256	0.4
55.05518	0.9
56.44756	0.4
57.03433	1.0
57.07078	0.6
58.06595	0.5
59.85742	0.4
67.05509	2.9
69.07101	0.4
69.61208	0.9
69.61599	0.8
74.43302	0.4
79.05486	1.9
81.07062	3.0
83.08649	0.5
88.07630	1.8
91.05483	0.9
93.07047	1.8
95.08616	2.3
98.23353	0.5
107.08586	1.0
109.10138	0.9
119.08615	1.0
119.74477	0.4
121.10149	1.6
123.11676	0.5
131.08598	0.7
133.10117	0.5
135.11697	0.6
147.11687	0.6
159.11673	0.4
160.82330	0.4
243.21178	0.7
243.25140	1.8
250.83429	0.5
317.20892	0.8
318.73956	0.4
335.21939	100.0
335.29501	5.4
336.22241	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	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
51.51343	0.5
69.70100	2.1
75.47711	0.5
79.05473	0.5
81.07041	0.8
93.07059	0.6
95.08667	0.6
105.96794	0.5
111.82296	0.5
113.96306	0.5
141.41885	0.5
144.18457	0.5
156.74249	0.5
195.09933	1.8
199.25121	0.5
329.64496	0.6
335.21909	100.0
336.22205	7.1
336.25873	0.8
358.56180	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99559	1.0
55.05492	1.5
60.00218	1.1
67.05494	1.7
69.07073	1.4
69.48804	3.6
69.49207	2.7
70.64272	1.0
71.08606	1.2
72.04524	7.3
73.04843	2.0
81.07063	2.6
87.73381	1.2
88.89716	1.0
91.05517	1.1
93.07064	1.3
95.08612	1.6
98.22654	1.6
100.02254	1.2
102.07745	1.2
102.47663	1.3
107.08604	2.0
109.06512	2.1
117.79053	1.2
128.10713	1.0
145.10147	1.3
165.12762	3.8
166.13068	4.6
173.72037	1.1
195.09927	2.2
198.32565	1.1
221.17184	1.3
237.20439	2.0
254.21373	1.1
288.70471	1.1
335.21930	100.0
335.28201	3.2
336.22192	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.05275	0.9
55.05516	11.8
57.03440	10.8
57.07061	0.7
65.03947	1.8
67.05508	44.3
68.05818	0.7
69.06731	1.0
69.07074	10.4
69.66274	2.8
71.04977	1.0
72.04518	0.9
79.05497	22.8
81.07060	33.4
82.07397	0.7
83.04977	0.6
83.08625	3.2
85.06540	0.7
91.05486	11.1
93.06470	1.4
93.07045	21.2
95.04979	2.0
95.08611	25.4
96.08938	0.7
97.06558	1.0
97.10173	1.7
105.04514	0.9
105.07031	6.2
107.08602	10.2
109.06522	0.9
109.10162	10.2
117.07031	1.1
119.08584	4.0
121.10135	8.9
123.08090	1.7
123.11680	2.9
131.07718	0.8
131.08562	3.3
133.10139	2.7
135.11711	4.8
137.13376	0.7
139.92986	0.6
145.10130	2.3
147.11699	2.1
149.13293	2.1
159.11681	0.7
161.13280	2.1
165.12752	1.4
173.13278	2.3
195.09933	1.8
216.84781	0.7
261.22171	0.9
335.21884	100.0
335.25824	35.1
336.22223	5.8
336.26172	2.2
356.82156	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05269	1.5
55.05516	13.8
57.03195	1.3
57.03443	13.6
57.07062	2.1
65.03934	2.1
67.05508	58.8
68.05821	1.0
69.07072	11.4
79.05494	30.5
81.03368	1.0
81.07059	44.3
83.04982	2.0
83.08626	5.4
85.06561	1.0
91.05482	15.6
93.07046	31.9
94.07392	0.9
95.04977	2.3
95.08611	37.1
96.08954	0.9
97.06531	2.2
97.10168	2.2
105.04558	0.9
105.07041	8.0
107.08594	15.2
107.88721	0.9
109.06533	1.2
109.10165	13.4
117.07020	2.6
119.08577	6.4
121.10146	12.8
123.08055	1.3
123.11709	3.6
129.07069	0.8
129.75639	0.8
131.08572	4.3
133.10138	4.9
135.11691	5.3
137.09621	1.2
137.13258	1.4
139.11302	0.9
145.10110	2.1
147.11687	2.2
149.13251	3.0
152.05469	0.9
152.94019	0.7
159.10487	0.8
159.11710	2.6
161.13297	1.3
173.13257	2.8
182.85516	0.7
185.09120	0.7
187.14745	0.9
212.07491	0.7
243.21112	1.0
261.22131	2.3
335.21896	100.0
335.25827	40.7
336.22217	7.8
336.26129	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.8
55.01874	1.8
55.05513	11.5
56.05017	1.0
57.03439	15.1
57.07078	2.8
58.06588	1.1
58.57153	0.7
60.06434	0.7
64.71004	0.7
65.03947	2.1
67.05508	53.9
68.05840	1.8
69.07075	10.9
69.31432	4.9
71.05012	1.0
71.08631	1.8
74.06081	0.8
79.05497	33.2
79.74671	0.8
81.03426	1.5
81.07061	61.8
82.07390	1.2
83.04988	1.3
83.08617	6.0
85.06588	0.8
88.07632	5.3
89.07977	1.4
91.05479	15.9
91.06013	1.3
93.07048	36.4
95.04980	1.9
95.08610	49.4
96.08962	1.6
97.06519	2.3
97.10169	2.6
98.22581	1.2
99.08056	1.0
103.03963	0.7
105.07032	11.0
107.05006	1.3
107.08598	20.9
109.06488	1.2
109.10158	19.0
117.07041	6.0
118.81291	0.8
119.08575	8.7
121.10150	17.0
123.08036	1.2
123.11707	7.1
129.05473	2.6
131.08585	9.8
132.10182	1.4
133.10103	7.2
135.11684	9.4
137.13237	2.2
145.10149	6.0
147.11691	4.8
149.09576	1.0
149.13249	5.7
151.14984	0.8
155.06993	1.5
159.11719	4.9
161.13254	4.9
163.11208	1.3
163.14830	4.5
165.12744	1.4
173.13287	6.2
175.14877	2.1
177.12811	1.5
177.16394	2.3
182.29172	0.8
187.14793	2.5
191.14308	1.1
201.16499	1.5
205.12033	0.9
217.19554	1.2
219.17398	0.8
219.21039	1.4
233.22600	1.2
243.21133	9.4
243.25038	5.5
261.22150	10.0
279.23196	0.9
287.27695	1.6
293.13937	1.0
317.21014	1.5
317.24731	4.0
317.28165	0.8
335.21878	100.0
335.25821	48.0
335.29895	21.6
336.22202	7.6
336.26157	3.1
336.29846	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	335.2215
Annotation	Prostaglandin C2
Peak:m/z	Relative Intensity
55.05502	7.0
57.07083	13.1
59.57730	6.5
66.92259	7.4
67.05476	17.5
69.07065	18.8
70.06591	13.7
71.29971	11.1
81.07053	28.1
83.04978	6.1
83.08595	7.9
91.05499	14.8
93.07049	17.0
95.04980	14.8
95.08617	38.2
105.07015	17.1
107.08602	22.3
109.06538	7.6
109.10166	22.6
119.08556	34.4
121.06505	25.5
121.10144	22.4
123.11725	9.4
129.07095	8.3
131.08568	13.7
132.10173	8.5
133.10138	12.2
135.08043	19.9
143.08527	16.7
145.10097	19.8
147.08076	20.7
147.11739	16.8
149.09637	10.3
155.08476	7.9
157.10135	20.7
159.08052	7.4
159.11665	19.7
161.09615	35.1
161.13239	26.0
171.11708	24.0
173.09663	11.6
173.13223	11.8
175.11215	15.3
175.14771	8.7
185.13298	22.8
187.11195	10.9
197.13202	11.5
199.11276	8.8
201.12682	9.7
203.14307	17.3
215.18044	7.8
221.15465	11.4
227.17957	100.0
228.23289	10.1
229.19537	19.0
229.23544	14.2
236.57439	6.8
257.19046	26.5
269.19122	13.8
271.20593	10.2
273.26144	36.4
275.07016	9.6
275.20135	10.0
299.20065	20.9
317.20972	12.1
335.09015	26.8
335.22134	54.7
335.29813	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.8
55.01865	4.9
55.05515	32.7
57.03446	19.2
57.07079	5.7
65.03924	5.3
67.05507	86.5
69.07071	35.8
71.04995	24.2
72.12834	2.9
79.05499	65.7
81.07060	100.0
83.04987	4.1
83.08617	13.6
85.06559	4.0
85.65510	3.3
91.05486	69.1
93.07047	72.8
93.07635	5.1
95.04974	27.6
95.08611	71.1
97.06511	6.8
97.10148	5.2
102.50420	3.1
103.05486	4.3
105.07030	92.6
107.08597	58.7
109.06551	10.3
109.10154	34.4
111.08074	4.6
115.05480	5.3
116.06200	7.7
117.07014	23.3
119.08578	91.5
121.06501	3.9
121.10146	43.5
123.08029	9.9
123.11728	9.9
128.06232	9.0
129.06992	19.0
130.07838	9.3
130.11288	3.1
131.08563	82.6
133.10133	90.5
135.08099	19.5
135.11684	18.4
137.09647	3.9
141.06973	6.1
142.07767	17.2
143.08554	40.9
144.09372	4.5
145.10124	67.7
147.08087	4.5
147.11678	16.9
149.09621	6.2
149.13257	8.3
154.07790	3.6
155.08582	18.1
156.09366	21.9
157.10127	55.2
158.10878	18.3
159.11688	24.6
161.09621	14.2
161.13252	7.3
163.11218	7.1
165.07018	7.2
167.08540	6.8
169.10115	24.2
170.10915	14.7
171.11703	40.1
173.09766	3.5
173.13268	58.4
175.11188	3.3
175.14871	16.5
178.07854	4.0
179.08603	10.8
180.09364	5.6
181.10153	13.7
182.10887	6.2
183.11700	16.4
184.13086	3.7
185.13304	15.8
187.14812	25.3
189.12677	4.6
191.08612	4.5
192.09419	4.4
193.10126	12.4
194.11015	6.4
195.11659	17.4
196.12436	7.5
197.13260	27.7
199.14810	29.7
206.11012	4.7
207.11684	9.1
209.13284	17.3
211.14841	18.7
212.15659	11.3
213.12694	7.5
213.16164	4.2
219.11722	6.2
220.12471	3.2
221.13246	20.6
222.13934	3.9
223.14763	7.4
233.13300	4.2
235.14828	12.2
236.15706	4.1
237.16434	11.2
247.14777	7.0
249.16269	6.6
251.17967	6.6
252.18700	5.8
261.16388	7.9
261.22284	7.0
262.17169	4.1
265.19608	3.7
277.19424	15.8
292.22165	3.7
297.70099	3.8
317.22455	4.0
335.23401	36.1
335.25986	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.60872	1.5
53.03942	4.0
53.64996	1.3
55.01870	1.8
55.05274	2.0
55.05513	22.7
57.03443	27.0
57.07064	1.6
60.44481	1.3
63.38084	1.7
64.73222	1.3
65.03937	3.1
67.05508	88.2
68.05845	3.3
69.07068	20.2
69.64615	1.4
71.04975	2.9
79.05498	48.7
80.05833	1.4
81.07059	81.6
82.07396	2.3
83.05009	1.7
83.08618	8.7
85.06560	1.5
91.05482	23.5
93.07047	49.3
95.04984	4.1
95.08610	71.1
96.08966	1.5
97.06532	2.7
97.10178	4.3
97.89685	1.3
101.53025	1.4
105.04530	1.8
105.07030	14.7
105.75932	1.5
107.08601	28.7
109.06500	2.8
109.10157	29.0
117.07014	5.4
119.08620	11.4
121.10149	20.9
121.39421	1.2
123.08045	1.4
123.11701	9.9
131.08542	8.0
133.10141	8.7
135.11705	14.5
137.09721	1.9
137.13283	3.1
145.10158	5.0
147.11674	6.7
149.13252	8.3
159.11710	5.2
161.13257	5.6
163.14786	2.0
173.13266	5.8
175.14857	2.3
187.14861	2.5
232.54520	1.5
243.21088	4.2
261.22214	8.8
317.24902	1.4
335.25815	100.0
336.26208	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03948	5.2
55.01858	1.2
55.05513	28.1
57.03440	24.9
57.07067	2.2
58.58807	0.6
65.03947	5.0
65.25298	0.6
67.05505	100.0
68.05835	2.2
69.03435	0.9
69.07070	25.5
70.73805	1.3
71.04994	2.0
71.08641	1.0
72.04515	2.0
77.54945	0.6
79.05495	52.0
80.05841	1.0
81.03403	0.8
81.07057	77.8
82.07381	1.7
83.04980	2.4
83.08627	9.0
85.06544	1.7
91.05481	24.3
93.07046	51.0
94.07404	1.1
95.04980	4.1
95.08608	61.6
96.08961	1.0
97.06535	2.6
97.10166	2.5
98.98491	0.7
99.08111	1.1
103.05446	0.6
105.04518	1.8
105.07030	12.9
105.94734	0.6
107.08593	22.2
108.08899	0.7
109.06539	2.1
109.10157	20.5
110.10468	1.3
111.08073	1.7
117.07041	4.2
119.08585	9.3
121.10146	19.5
123.08056	0.9
123.11700	5.5
125.09637	0.8
131.08574	6.6
133.10124	6.8
135.08084	0.9
135.11696	10.0
137.13266	1.8
145.10165	4.4
147.11670	4.1
149.13237	4.9
159.11678	2.5
161.13228	2.8
163.14854	1.9
165.12758	1.6
166.13075	1.6
173.13235	2.9
185.91263	0.7
187.14838	0.9
205.20326	0.8
235.18170	0.8
237.20473	0.9
261.22144	1.5
335.22174	4.0
335.25766	73.0
336.26144	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.06548	1.1
53.03940	5.8
55.01873	1.4
55.05515	27.6
57.03445	27.5
57.07079	3.0
65.03938	4.0
67.05509	100.0
68.05846	1.1
69.03429	2.0
69.06735	2.2
69.07076	25.4
69.85239	2.6
69.85623	1.9
71.04967	2.2
74.88048	1.1
77.03944	1.3
79.05499	51.8
79.90773	1.3
81.07062	82.7
82.07381	1.3
83.08633	8.4
91.05486	24.6
93.06470	2.6
93.07051	46.0
93.16998	1.2
95.04955	2.7
95.08613	66.3
97.06512	1.8
97.10170	2.7
105.04527	1.7
105.07029	14.0
107.08590	23.9
109.06509	2.2
109.10163	24.7
116.45726	1.2
117.07002	2.4
119.08576	12.2
121.10142	18.0
123.08077	1.6
123.11730	6.3
131.08563	7.3
133.10143	7.1
135.11710	11.1
137.09631	1.9
137.13231	2.0
140.37968	1.2
145.10110	3.5
147.11682	5.1
149.13258	4.6
159.11664	2.7
161.13283	2.6
173.13245	2.8
187.15036	1.4
261.22153	2.7
335.21881	35.0
335.25809	66.3
336.22427	2.1
336.26132	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	3.8
55.01865	1.8
55.05515	21.6
56.96556	0.9
57.03165	1.6
57.03441	28.7
57.07079	5.8
65.03937	4.2
67.05508	100.0
68.05850	1.6
69.07070	19.7
69.20093	5.1
71.04996	2.5
72.22508	0.8
74.09713	1.5
79.05499	53.6
80.05824	1.3
81.03429	1.4
81.07060	96.9
82.07384	2.3
83.04969	2.0
83.08616	9.1
85.06537	1.6
91.05487	26.6
93.07047	61.0
94.07375	1.8
95.04971	4.4
95.08611	79.3
96.08939	1.1
97.06525	3.0
97.10155	4.2
98.23376	1.6
99.08130	1.0
105.04491	1.7
105.07039	19.5
107.04986	1.8
107.08595	34.4
109.06541	1.3
109.10161	31.9
110.10533	1.1
111.08093	1.7
117.07039	6.4
119.08594	15.8
121.09307	1.6
121.10149	22.9
123.08071	1.3
123.11697	13.6
129.05469	2.1
131.08583	11.7
133.10138	13.5
134.10405	0.9
135.11697	17.2
137.13292	3.5
139.11163	1.2
143.08562	1.0
145.10136	8.6
147.11679	8.0
149.09637	1.3
149.13252	11.4
151.11102	1.3
151.14867	1.3
159.11668	6.6
161.13252	7.0
163.14832	5.4
165.12776	1.1
173.13249	6.8
175.14836	3.1
177.12785	1.6
177.16386	2.2
187.14818	4.0
201.16420	1.3
223.15245	2.1
243.21088	8.0
261.22107	12.3
268.76553	0.9
277.21658	1.0
279.21335	1.8
286.30075	0.9
317.24725	4.4
330.58966	0.9
335.25806	94.3
336.26111	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	4.3
53.04929	3.8
55.05521	29.7
57.03444	25.0
57.07065	4.2
67.05511	100.0
69.02096	38.8
69.07069	26.5
79.05505	48.2
80.30072	3.9
81.06590	5.7
81.07061	84.7
83.08628	10.6
83.40487	3.7
85.12283	4.1
91.05482	24.4
93.07055	57.8
95.04964	6.8
95.08612	67.6
97.06551	3.8
105.07029	13.5
107.08598	28.3
108.96369	3.9
109.06548	14.8
109.10173	33.2
112.94182	3.9
117.07023	4.0
119.08595	15.1
121.10168	19.4
123.11723	6.5
125.09665	4.5
131.08546	9.3
133.10121	12.0
135.11694	16.7
145.10095	5.1
147.11760	5.4
149.13219	4.1
152.63965	3.5
161.13246	7.9
162.00864	3.9
163.14923	3.9
173.13391	5.4
183.03725	4.0
210.37805	3.6
243.20992	5.9
261.22171	5.1
289.76718	4.3
335.25903	81.4
336.25931	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03960	5.0
55.01876	1.6
55.05516	25.8
57.03441	26.2
57.07077	2.1
65.03934	3.8
67.05509	100.0
68.05826	1.9
69.06732	1.6
69.07073	22.4
71.05013	1.6
71.08633	1.1
72.04514	2.2
79.05500	48.4
79.05968	2.3
81.07060	89.0
82.07405	1.8
83.04967	1.9
83.08620	8.1
85.06531	1.9
91.05483	23.2
93.07050	55.6
95.04967	5.1
95.08613	67.9
96.08953	2.5
97.06523	4.2
97.10171	3.9
98.22629	1.8
99.08099	1.8
105.04523	2.4
105.07028	14.9
107.08593	24.1
109.06550	1.2
109.10168	23.2
111.08080	1.5
117.07017	4.7
119.08587	11.7
121.10151	20.8
123.08050	2.6
123.11710	9.2
131.08562	7.3
133.10123	7.3
135.11687	11.8
137.13269	2.9
145.10136	4.7
147.11687	5.2
149.09656	1.4
149.13269	5.1
159.11697	3.9
161.13280	3.1
163.14832	2.9
173.13260	3.0
187.14767	1.1
238.21646	3.4
243.21156	1.2
261.22180	4.9
291.23138	2.0
317.24719	1.7
335.25806	80.6
336.25568	6.3
336.29083	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	3.9
55.05518	23.4
57.03167	1.2
57.03443	19.9
57.07090	4.4
65.03934	3.4
67.05510	87.9
68.05817	2.0
69.07074	19.3
71.05000	2.1
74.09733	2.5
77.00236	0.8
79.05498	45.3
81.07064	79.4
82.07392	1.4
83.04964	2.3
83.08622	9.0
85.06544	2.1
91.05484	21.0
93.07050	45.6
94.07356	1.7
95.04980	4.7
95.08612	62.9
97.06528	3.5
97.10188	4.0
103.05554	1.0
105.04559	0.9
105.07034	15.4
107.08602	25.6
109.06548	2.3
109.10168	25.2
111.08059	2.2
114.53580	0.9
117.07011	3.3
119.08588	10.1
121.10150	19.1
123.08045	1.6
123.11714	9.0
124.46948	0.9
125.09598	1.3
129.07045	1.0
131.08589	6.2
133.10132	5.9
135.11697	12.1
137.09625	1.7
137.13264	2.6
139.11150	1.2
145.10146	5.1
147.11719	4.8
149.13217	7.4
159.11737	4.1
161.13242	4.3
163.14818	2.2
173.13260	4.1
187.14839	1.3
191.14291	0.9
201.16423	1.1
240.69139	0.9
243.21045	2.9
252.29420	0.9
255.34807	0.9
255.37753	0.9
261.22241	5.6
317.24707	1.2
335.25818	100.0
336.26086	7.4
336.32437	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	335.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
54.25845	0.9
54.51945	1.0
55.05510	23.4
57.03436	26.4
57.07076	2.3
60.38028	0.8
62.64371	0.9
65.03938	4.0
67.05505	100.0
68.05804	1.7
69.03432	1.7
69.07066	23.8
70.55945	2.3
71.04971	2.8
79.05492	52.4
80.05828	1.5
81.07056	84.0
82.07392	1.4
83.04996	2.3
83.08613	11.2
85.06527	1.8
85.23557	0.9
91.05478	28.7
92.05814	1.3
93.07042	47.5
95.04971	4.6
95.08606	68.0
96.08929	1.8
96.13367	1.1
97.06522	3.0
97.10174	3.4
105.04546	1.4
105.07022	16.5
107.08593	24.5
109.06523	2.1
109.09454	1.7
109.10155	22.9
111.08117	1.1
117.07008	4.2
119.08588	10.8
121.10140	21.4
122.10515	1.1
123.08099	2.1
123.11694	8.9
131.08553	6.2
133.10107	6.7
135.11690	11.3
137.09627	1.4
137.13203	2.0
139.88164	1.0
145.10117	4.7
147.11687	6.0
149.13290	4.1
151.11140	1.0
159.11710	2.9
161.13251	4.2
163.14857	2.3
173.13242	3.6
175.14886	1.9
187.14740	1.8
243.21275	1.2
249.70934	1.2
261.22046	2.8
335.22064	5.7
335.25763	80.3
336.26199	8.4
349.97440	1.1
354.91830	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.64056	1.2
53.03935	4.6
55.05511	24.7
57.03441	25.3
57.07063	3.2
57.60308	1.3
60.27209	1.4
63.98712	1.3
65.03934	3.3
67.05505	100.0
68.05838	1.4
69.07073	18.5
70.82417	1.8
71.04995	1.7
71.08618	2.6
79.05495	53.4
81.07057	89.7
83.04979	2.7
83.08617	7.8
85.06564	2.5
91.05485	27.6
93.07045	56.8
93.07629	3.2
95.04980	5.5
95.08607	70.6
97.06521	3.5
97.10175	4.1
98.98477	1.6
105.07045	12.8
107.08593	27.2
109.10154	29.3
111.08084	2.6
117.07024	5.9
119.08576	14.8
121.10149	20.2
123.08074	2.9
123.11712	11.1
131.08569	8.1
133.10146	11.3
135.11705	13.6
137.13229	2.9
145.10121	5.9
147.11694	6.1
149.13277	9.2
159.11697	4.9
161.13266	5.1
163.14828	3.8
173.13297	4.1
177.16359	1.8
182.30388	1.5
187.14760	2.3
214.18497	1.3
236.36328	1.9
243.21132	3.1
261.22141	7.6
274.85867	1.5
335.25809	77.4
336.26120	7.3
341.36746	1.5
344.10394	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	335.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40328	1.1
52.98299	1.1
54.57288	1.1
55.05516	6.7
57.03433	3.9
57.07079	31.2
67.05502	12.6
69.07064	4.9
71.08635	29.3
71.30762	1.4
73.06542	3.5
79.05487	8.4
80.94894	1.2
81.07063	12.4
83.08614	4.4
85.10191	23.4
88.44581	1.3
89.06035	100.0
91.05479	4.3
93.07059	7.4
95.08614	12.4
97.10184	1.5
99.11755	2.6
105.07049	2.8
107.07083	6.7
107.08591	4.4
109.10157	3.8
119.08577	2.4
121.10136	5.1
131.08575	1.6
133.07634	1.4
133.08609	28.8
135.10217	1.3
135.11729	1.9
141.16405	1.5
144.86128	1.2
145.10147	1.5
147.11681	1.9
149.13257	1.7
151.09659	4.4
173.13271	1.6
177.11235	4.3
193.54889	1.2
195.12282	17.2
219.66107	1.0
261.22067	1.2
319.35464	1.2
335.21835	5.9
335.25873	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	336.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05041	6.3
61.01144	4.1
70.06605	1.0
70.64342	0.7
71.28712	0.8
72.08162	4.2
72.34240	0.7
73.59085	0.7
79.05463	0.9
81.07046	1.0
84.08170	1.0
86.09708	3.0
91.05467	0.9
97.69398	0.7
99.04476	0.8
104.05330	6.3
105.07040	0.9
107.04930	1.0
107.08624	0.8
108.85818	0.7
110.07201	1.0
118.06528	1.4
120.08109	13.5
130.06540	5.3
133.02823	0.7
135.04439	1.0
143.11760	1.8
144.08070	1.2
146.05980	7.9
159.09164	1.4
161.02321	1.1
161.18687	0.7
163.03883	2.8
171.11345	0.8
173.02361	1.0
174.05502	100.0
175.05811	3.2
188.07118	6.7
189.01857	2.0
191.03329	2.6
205.09770	4.7
207.02881	1.7
217.01291	3.1
219.02887	2.3
235.02328	4.1
239.01724	0.9
245.00784	2.5
247.02394	2.0
263.01697	1.2
273.00220	2.7
275.01749	2.3
336.22647	1.3
337.01843	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	336.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94282	0.2
53.03939	0.6
55.01836	0.3
69.03426	1.8
70.06602	0.5
70.31509	0.7
71.04999	0.4
73.02906	0.7
81.03414	1.3
85.02907	0.8
86.09698	1.2
91.05459	0.3
93.07047	0.3
97.02894	2.3
99.04445	0.8
109.02877	1.2
118.06520	0.9
120.08110	1.9
127.03917	1.0
128.04961	3.2
131.08580	0.3
132.04475	1.6
143.11800	0.7
146.06012	100.0
147.06369	3.0
168.39589	0.3
169.49982	0.3
174.05518	15.9
175.05884	0.6
177.10239	0.6
180.50316	0.2
189.01753	0.3
192.06552	5.0
193.06833	0.3
205.08545	0.4
219.03032	0.3
231.06573	0.3
235.02278	0.5
245.00800	0.3
246.07655	2.3
300.08810	0.2
318.09897	0.4
337.02026	1.2
337.18164	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	336.1918
Annotation	Ile Phe Gly
Peak:m/z	Relative Intensity
57.07080	1.0
58.06604	0.5
69.07076	9.3
71.09214	1.0
72.23917	0.5
74.20966	0.4
79.05486	0.7
85.02915	0.5
85.06549	0.8
86.09712	92.3
87.10032	1.5
89.03963	0.7
93.07043	0.7
95.04984	0.6
103.05486	2.4
105.03387	0.7
106.93027	0.4
107.04971	1.0
117.03396	1.2
118.60204	0.4
120.08115	100.0
121.08458	2.8
133.02856	1.6
135.04424	0.9
137.02356	0.5
145.02835	3.1
147.04420	0.8
148.11224	1.6
151.03912	0.6
151.07573	0.4
159.10115	0.5
160.10445	0.6
161.02325	1.9
163.03943	3.4
173.02379	0.7
177.05490	2.9
179.03386	1.1
180.99373	0.4
189.01788	2.5
191.03477	2.5
201.01747	0.8
207.02809	2.6
217.01395	2.5
218.02135	0.6
219.02849	2.3
223.08585	1.1
223.10793	23.4
224.10968	1.0
229.01291	0.6
233.16502	28.7
234.16811	1.8
235.02379	4.3
245.00851	2.2
247.02402	1.7
261.15967	6.0
263.01865	1.3
273.00290	2.8
275.01874	1.8
291.01379	0.6
300.99744	0.9
336.18481	0.6
337.01917	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	336.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
56.05036	3.9
58.06605	8.0
59.07386	0.7
60.08165	18.0
64.19235	0.5
65.03967	0.5
67.05493	0.6
68.47995	0.4
70.06590	0.7
71.28350	0.6
72.08161	1.0
82.02942	3.6
82.42873	0.5
83.06109	1.1
84.04506	77.0
85.02910	1.5
85.04851	1.5
85.52297	0.5
89.03910	1.5
91.05476	1.1
93.03403	0.7
95.05008	1.1
101.07141	11.6
103.05468	19.6
105.07035	1.5
107.04949	1.2
111.04435	1.5
117.03397	1.2
120.08114	1.2
121.06553	0.6
123.04384	0.8
127.05048	1.3
128.03410	0.9
129.06644	1.3
130.05013	4.7
130.63971	0.5
131.04929	22.7
132.05255	1.1
133.02859	0.8
135.04384	2.6
139.03917	2.2
145.02867	1.6
145.06099	0.8
147.07645	0.8
148.07564	1.9
148.11311	0.6
161.02443	0.6
161.07100	2.2
163.03906	13.5
165.05542	0.6
166.08656	1.6
186.09169	1.4
189.01794	1.5
191.03378	1.4
207.02849	2.1
208.13416	1.3
217.01405	1.3
218.08124	0.9
219.02908	2.1
221.00757	0.5
232.09752	1.4
235.02345	2.9
235.10933	0.5
244.60118	0.6
245.00879	1.2
247.02409	1.5
260.09253	5.8
273.00372	1.2
275.01883	1.1
290.18716	0.8
301.05042	0.4
317.17395	0.5
319.16473	4.7
320.84894	0.4
336.10696	2.0
336.19171	100.0
337.01886	4.7
337.10135	0.9
337.19485	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	336.2168
Annotation	Dendrine
Peak:m/z	Relative Intensity
53.03938	1.0
54.40574	0.6
55.01869	0.7
60.04515	1.1
63.31917	0.6
65.53080	0.6
67.05499	1.8
69.07070	2.6
71.04991	2.5
71.08646	3.8
79.05495	8.1
80.14729	0.7
81.07057	10.4
91.05492	1.4
93.07050	1.1
95.04967	1.4
95.08588	1.0
99.08038	0.7
105.07047	1.4
108.04470	1.2
109.02893	4.4
111.04439	3.4
111.08091	11.1
113.09623	1.2
119.08565	0.8
123.04435	1.1
125.04749	0.7
126.03139	2.9
126.05521	1.0
129.06998	1.2
130.12268	5.4
131.07349	0.7
131.08591	0.8
139.03883	4.2
140.04616	1.0
140.07056	1.3
141.05492	1.2
147.08009	0.9
150.05511	0.7
151.02678	2.5
152.03488	1.0
152.07089	1.3
152.14301	0.7
153.04221	2.1
154.05002	3.8
155.05777	2.7
156.06548	1.1
160.03949	2.1
160.05168	1.5
162.05418	1.1
164.03345	0.7
165.05490	0.7
166.05014	12.1
167.05634	1.1
168.06575	37.5
169.06943	1.0
174.05515	8.0
175.07578	2.5
176.07094	1.4
178.05009	3.0
179.05820	1.7
180.06511	1.0
181.07338	2.2
182.08128	8.5
187.06319	1.7
191.05792	0.9
192.06573	3.0
194.08212	1.0
200.07068	1.8
201.07797	1.4
202.08638	2.4
204.06581	2.2
206.08092	1.8
214.08543	0.9
216.10178	7.0
218.08102	2.1
219.08862	1.6
220.09677	1.1
222.11232	0.8
224.12820	28.4
225.13567	8.3
226.14333	4.2
230.11705	3.1
232.09853	1.2
233.10562	1.0
234.11223	12.1
236.09062	0.9
236.12779	2.7
248.12852	3.3
249.13390	0.9
250.10762	1.9
262.14435	0.8
266.13873	1.2
272.16431	2.9
280.15576	0.8
304.19061	16.8
305.19412	1.4
336.21695	100.0
336.30139	2.6
337.21948	7.4
346.96237	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	336.9488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60229	1.9
63.90063	2.1
70.06577	8.1
70.40285	6.4
90.08727	2.0
94.92995	14.4
96.92828	3.7
112.89604	7.9
114.89334	5.7
150.92010	6.3
154.87080	2.2
156.88557	45.8
174.89606	46.2
204.87019	10.7
216.90591	2.6
222.36555	2.1
246.91794	3.3
261.92813	13.3
262.92883	2.8
263.92694	6.0
276.92694	8.2
282.86053	3.9
318.93777	27.1
336.94849	100.0
337.17166	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	337.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53064	0.8
53.03949	1.4
60.05652	2.6
65.03941	3.7
67.05505	3.0
73.02915	2.0
82.04224	2.0
85.02911	5.4
93.03421	1.4
95.04966	1.5
97.06521	1.4
103.03964	1.1
105.03400	10.6
110.03653	2.8
111.00584	1.5
111.04442	1.3
111.95446	0.8
112.07570	1.1
121.06473	1.0
123.04432	1.7
127.08704	1.1
137.05980	0.9
142.02591	1.9
143.34871	1.0
145.02792	1.1
147.04420	1.3
148.11227	1.1
153.05489	1.3
157.01065	0.9
163.03891	2.1
171.06564	3.5
181.04964	61.6
182.05313	3.5
186.12764	1.0
189.01952	1.2
196.58676	0.9
203.03159	100.0
204.03531	3.5
205.04947	9.7
207.02928	0.9
208.34137	1.1
217.05006	1.0
219.02873	1.1
221.04211	6.3
231.06509	4.6
232.13429	1.8
235.02333	2.0
235.05977	1.3
245.08044	2.0
249.04022	1.8
251.36336	1.0
259.05966	4.3
269.95743	0.9
271.06104	0.9
283.06073	1.6
289.07108	2.0
289.70984	1.0
291.05096	1.4
291.16946	1.3
301.07172	1.2
309.68268	0.9
337.01831	1.6
337.05359	22.9
337.09189	3.6
345.88361	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	337.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25812	0.9
57.46334	1.4
58.99872	1.9
60.05634	1.3
62.80856	1.0
70.06591	3.6
71.28580	1.1
77.00906	1.1
82.99865	2.9
85.01414	3.8
86.99333	1.6
94.99821	1.5
101.00889	21.0
102.01046	1.2
103.02464	11.9
110.99317	1.3
113.00880	16.3
114.00900	1.1
119.01920	22.4
121.03487	2.0
125.20122	1.0
127.02429	21.4
128.02518	1.3
129.04013	1.3
131.01909	35.7
132.02049	1.2
133.03500	1.0
139.02429	4.8
143.01903	3.4
145.03471	67.0
146.03638	4.8
147.01408	2.3
147.05006	1.6
149.02968	4.6
155.01909	27.0
156.88560	2.0
157.03474	32.2
158.03658	1.3
159.05078	2.0
161.02942	3.7
163.04523	5.7
164.10736	1.8
167.01912	3.3
171.01411	13.1
173.02972	45.1
174.03073	2.0
174.89534	1.2
175.04541	7.7
183.01402	4.7
185.02942	9.8
189.02470	11.3
199.00874	9.1
200.35281	1.3
201.02486	6.9
203.04034	3.7
211.00803	1.6
217.01947	100.0
218.02094	6.5
221.05043	2.4
229.01947	37.2
230.02086	2.3
235.02995	33.5
236.03101	1.7
247.03012	20.7
248.03206	2.0
253.04071	3.2
258.04623	1.2
265.04156	3.4
275.06247	1.8
276.25433	1.1
277.04077	3.6
319.05075	1.8
336.94928	5.6
337.02509	1.8
337.05933	4.1
337.09244	9.0
337.17151	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
52.63366	2.3
54.61071	2.2
66.45964	2.6
69.94038	6.3
69.94390	5.7
128.20924	3.0
157.78178	2.7
189.10506	2.6
209.09204	2.8
285.82391	2.5
303.83920	2.7
315.55746	3.0
337.08975	100.0
338.09491	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	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
54.05360	0.4
55.05517	0.5
60.05633	0.6
68.17182	0.4
69.03435	0.7
70.90766	0.8
85.02898	0.7
100.77086	0.5
109.44853	0.4
110.66937	0.5
111.49608	0.5
120.80447	0.6
124.07599	2.9
137.05962	0.5
145.35667	0.4
152.07053	0.4
170.08168	3.3
175.03676	10.1
185.04231	12.5
198.07608	4.7
234.05067	0.5
245.96007	0.4
249.07550	1.1
290.05914	0.8
337.08914	100.0
338.09186	6.7
338.12704	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	337.0917
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.01598	0.3
51.02382	0.6
53.03949	2.6
55.01868	0.5
55.30072	0.2
57.03440	8.3
60.05626	0.2
61.02916	0.3
67.05508	0.4
68.54282	0.2
68.96693	0.2
69.03432	0.7
69.95217	0.6
69.95622	0.4
70.06566	0.3
71.01357	5.3
73.02919	15.6
75.04478	1.0
77.03935	0.9
79.05493	3.8
81.03408	0.2
83.01360	0.4
85.02908	27.4
86.03242	0.3
87.00822	0.5
89.02375	0.3
91.05472	0.3
93.07067	0.2
94.17142	0.2
95.01334	2.4
95.04967	3.5
97.02892	0.5
97.06521	0.4
99.00800	1.6
101.01711	0.5
101.02383	7.7
103.03944	9.4
105.03394	100.0
106.03726	2.4
112.67831	0.2
113.02375	2.3
123.04430	15.3
124.04787	0.4
127.08675	0.2
131.03400	3.9
137.05986	0.3
141.01839	2.4
145.02898	0.4
159.02895	4.0
177.03961	1.0
177.05374	0.4
178.05917	0.3
179.07031	6.1
210.14944	0.2
215.05571	0.2
218.02203	0.2
234.47639	0.2
276.28247	0.2
305.08154	0.5
322.08347	0.2
337.09167	22.3
338.09531	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	337.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80229	0.4
53.03946	0.6
55.05503	0.5
55.29939	0.5
56.05041	2.1
58.06599	0.5
60.05652	1.2
63.61736	0.4
64.64786	0.4
70.50381	0.4
71.30410	0.6
71.30788	0.6
79.05480	2.5
84.04507	36.7
85.02875	0.5
85.04802	0.5
86.60643	0.4
87.34009	0.4
91.05499	0.6
92.50661	0.5
93.07034	0.5
95.05023	0.5
102.42467	0.4
103.05457	1.7
105.07030	100.0
106.07383	2.9
117.27572	0.4
119.05007	0.5
119.08542	0.6
121.06436	0.6
122.09668	22.4
123.09997	0.8
124.03931	1.1
130.05003	20.0
131.05333	0.6
142.04967	0.8
149.51155	0.5
149.87656	0.5
152.03432	5.1
159.10178	0.5
160.12665	0.5
163.03842	1.0
170.04469	1.0
187.12276	1.8
188.10703	67.8
189.11078	3.6
192.06369	0.4
198.03984	6.3
205.13348	6.9
207.08101	0.7
231.11211	1.3
232.07063	2.8
233.12886	4.4
234.11119	2.2
242.16492	0.5
245.86528	0.5
247.14372	0.6
251.13902	1.7
253.08603	0.7
259.75745	0.4
273.12283	0.8
277.08615	0.5
277.11798	1.0
281.08054	1.7
291.13403	7.4
292.13654	0.7
301.11725	1.1
305.10117	0.8
309.07547	3.5
310.07745	0.5
319.12839	3.0
337.07147	6.7
337.13940	3.3
338.07321	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	337.235
Annotation	PGB1
Peak:m/z	Relative Intensity
51.70174	1.6
53.91340	1.8
55.05509	1.7
59.26065	1.5
65.03940	1.9
67.05503	2.5
69.07069	3.5
70.92760	2.1
77.77531	1.7
81.07067	3.8
91.05507	1.9
92.67620	1.6
93.07023	2.0
95.08633	4.5
100.34365	1.5
100.49601	1.6
105.07019	3.2
107.08609	1.9
119.08569	2.3
121.10194	2.2
124.11259	4.3
137.95461	1.5
151.11038	1.8
250.25124	2.9
263.14087	1.6
319.22452	24.2
321.88647	1.7
337.23502	100.0
338.23624	4.8
338.27017	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	337.237
Annotation	PGB1
Peak:m/z	Relative Intensity
53.03943	4.1
54.99086	2.5
55.05515	66.9
57.03424	4.1
57.07087	11.9
59.04990	2.9
61.26294	3.0
67.05496	17.9
67.25263	2.4
69.03446	16.2
69.07071	100.0
71.04993	4.1
79.05505	20.2
81.07056	50.9
82.07379	3.1
83.04983	67.7
83.08626	3.3
85.06555	4.8
91.05489	14.4
93.07045	43.0
95.04984	7.4
95.08607	47.7
97.06537	17.4
97.10176	81.4
98.22581	6.3
101.06035	2.6
105.07046	22.4
107.04999	2.4
107.08589	29.9
109.06512	9.3
109.10146	19.8
111.08082	5.7
111.11718	25.1
115.11228	4.7
119.08614	11.8
121.06499	6.4
121.10151	32.2
123.08076	8.6
123.11693	8.9
125.09587	3.4
131.08565	3.8
133.10130	15.2
135.08040	3.6
135.11723	18.5
137.09653	11.3
139.11191	71.0
140.11510	2.6
143.08539	3.0
145.10129	12.8
147.11658	6.2
149.13220	3.6
151.11176	9.1
153.12737	14.3
157.10156	4.7
157.12245	43.2
159.11758	5.8
161.09666	4.9
163.11191	9.2
165.09120	2.9
167.10655	5.2
175.11234	3.7
177.12770	3.4
181.12245	2.9
191.10634	2.8
199.14737	3.0
203.12666	3.8
273.22214	4.6
283.20569	4.8
291.23135	11.7
301.21603	13.5
319.22540	21.9
337.23709	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	337.2374
Annotation	PGB1
Peak:m/z	Relative Intensity
52.24657	2.4
53.03944	3.7
55.01863	3.7
55.05514	82.0
55.55849	2.4
57.03434	3.4
57.07069	5.0
58.79269	2.3
59.05000	4.3
60.05649	6.5
63.78745	2.3
65.03949	2.4
67.05177	3.7
67.05509	35.2
69.03448	13.2
69.07072	73.1
71.01369	12.9
71.04996	70.7
71.30031	3.0
79.05483	22.9
81.07061	79.8
83.04956	12.9
83.08624	15.8
85.06535	7.2
91.05481	19.7
93.07049	71.9
95.04979	13.3
95.08614	62.8
97.06539	16.0
97.09545	4.8
97.10177	100.0
99.04449	4.2
99.08096	3.3
105.07030	38.8
107.08596	69.2
109.06548	14.1
109.09454	4.6
109.10167	69.6
109.10915	3.8
111.08049	6.0
111.11703	12.4
117.06995	4.7
119.08575	23.4
121.06487	12.5
121.10149	58.3
123.08064	10.1
123.11752	14.2
125.05988	3.9
125.09620	21.2
126.99915	2.2
127.11187	4.2
129.07048	2.8
130.07802	3.7
131.08577	5.1
133.10124	24.3
135.08055	9.4
135.11708	48.9
137.05995	5.5
137.09628	21.4
137.13211	3.2
139.07565	3.6
139.11183	34.2
142.07840	3.8
143.08543	3.3
143.10678	30.6
145.10130	26.6
146.10541	2.9
147.08029	4.2
147.11690	15.0
149.09616	7.5
149.13263	18.5
151.11198	8.9
153.12740	10.9
155.10680	6.3
157.10210	3.9
157.12196	13.6
159.10573	2.5
159.11694	12.7
161.09645	8.2
161.13298	3.0
163.11208	36.3
165.09135	12.1
165.12762	4.9
167.14314	4.4
171.11792	3.1
173.13251	4.4
175.11200	7.2
175.14830	5.1
177.12787	6.7
179.09171	2.6
179.10649	3.9
179.14310	3.7
181.12224	29.3
189.11252	4.9
206.07236	4.6
212.54399	2.7
218.07329	3.6
219.08038	3.0
221.15369	3.1
234.06793	13.0
235.07614	4.6
249.08974	3.4
251.07091	5.3
255.21167	3.3
262.06268	6.9
273.22134	6.2
276.07794	7.6
277.08536	12.7
279.06497	8.3
283.20322	3.7
290.05728	6.8
291.23303	5.8
293.08057	4.2
293.21155	5.2
294.08795	7.8
301.21655	30.2
304.07446	3.5
305.08054	13.4
307.06088	3.9
309.11349	3.4
319.22656	33.7
322.08313	9.1
337.07126	3.3
337.10687	54.3
337.20108	4.4
337.23691	20.2
338.10986	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	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03937	2.3
53.22942	0.6
55.01871	1.2
55.05515	38.7
57.03440	25.5
57.07077	5.8
58.57070	0.6
63.79469	0.7
65.03955	3.8
67.05507	81.1
68.05827	1.7
69.07073	48.5
70.42548	0.7
70.42867	1.4
71.04995	2.2
71.08629	1.7
72.32138	0.7
75.77261	0.7
79.05496	23.9
81.07060	83.5
82.07399	2.2
83.04979	2.3
83.08621	23.2
85.06546	2.6
90.18758	0.8
91.05484	14.7
93.06468	1.4
93.07049	20.9
95.04988	1.6
95.08611	62.1
96.08942	1.7
97.06558	4.7
97.10167	12.5
99.08062	1.4
101.06041	0.7
105.07030	10.5
107.08598	10.8
109.06529	0.8
109.10157	22.5
109.67472	0.7
111.08083	1.9
111.11727	3.4
119.08576	9.3
121.10159	9.8
123.08059	2.0
123.11710	10.2
125.09646	2.1
131.08623	0.8
133.10136	8.4
135.11697	4.8
137.09610	1.3
137.13240	3.7
147.11684	5.6
149.13266	2.7
151.14874	1.4
153.12796	1.2
157.10329	0.9
161.13251	3.9
163.14841	2.9
175.14865	3.7
179.10547	0.7
189.16409	0.8
208.46040	0.6
245.22762	1.9
263.23795	4.2
274.77246	0.7
337.27377	100.0
338.27771	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.08840	1.5
53.03939	3.4
53.21474	1.5
55.01868	1.8
55.05514	37.3
57.03198	2.0
57.03442	21.5
57.07072	7.1
65.03943	3.0
67.05508	88.1
69.05454	13.8
69.07070	42.9
71.04997	2.7
71.08657	2.4
79.05500	21.1
81.07059	84.3
82.07391	2.3
83.04978	2.4
83.08622	25.8
85.06538	3.7
85.10172	1.6
91.05470	11.7
93.07042	19.3
95.04990	2.4
95.08612	79.1
97.06516	4.5
97.10184	13.7
99.08108	3.2
105.07024	8.6
107.08607	13.7
109.10159	29.1
110.09821	1.7
111.08178	2.8
111.11674	1.8
119.08586	8.9
121.10162	8.9
123.08092	1.8
123.11726	12.7
125.09599	2.2
126.03416	1.6
133.10149	6.5
135.11696	6.5
137.13284	1.9
147.11697	6.1
149.13252	2.9
151.14812	2.3
161.13289	3.2
163.14850	3.8
175.14841	3.3
245.22751	4.8
263.23782	7.4
279.94516	1.6
295.08893	1.5
301.25375	1.5
337.20795	3.7
337.27365	100.0
338.27652	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
54.66314	0.7
55.01857	1.7
55.05513	38.6
57.03439	26.2
57.07084	7.6
59.88757	0.7
65.03944	2.4
67.05506	84.4
68.05824	1.0
69.03451	0.9
69.07070	40.9
69.31721	1.2
69.32124	2.8
70.07406	0.8
71.04987	1.8
71.08627	2.4
79.05495	22.6
79.69622	0.6
81.07056	80.4
82.07391	2.1
83.04966	2.6
83.08620	24.3
85.06551	1.8
91.05484	15.6
93.07046	22.5
95.04948	1.2
95.08606	70.0
96.08920	1.1
97.06531	5.3
97.10171	12.0
99.08091	1.5
105.07018	9.4
107.08591	10.6
109.06512	1.0
109.10155	28.9
111.08084	2.3
111.11677	3.5
113.09692	1.1
116.55537	0.6
119.08581	8.3
121.10146	11.4
123.08076	1.2
123.11701	10.2
125.09620	1.8
133.10130	8.2
135.11714	6.0
137.09616	0.9
137.13246	4.0
147.11670	6.6
149.13251	5.0
149.26617	0.7
151.11162	0.8
151.14844	1.8
153.12782	1.1
160.85020	0.8
161.13293	5.3
163.14796	4.8
165.12697	1.0
165.16422	1.1
175.14845	3.5
177.16444	0.8
179.14365	0.8
189.16405	1.6
193.15855	0.9
203.18121	1.0
219.21136	0.8
245.22594	5.4
246.22932	0.8
258.82333	0.8
263.23767	6.9
337.27350	100.0
338.27698	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60700	0.5
51.02374	0.4
52.86315	0.3
53.03948	2.3
55.01873	1.7
55.05513	46.7
56.05849	0.6
57.03440	29.4
57.07078	6.7
59.04995	0.5
65.03944	3.8
66.04726	0.4
67.05506	100.0
68.05835	1.6
69.03431	0.8
69.07070	56.8
70.07391	0.7
71.04990	3.1
71.08629	2.2
73.06566	0.5
77.03899	0.5
79.05497	27.1
81.03458	0.4
81.07057	94.2
82.07386	1.8
83.04980	3.1
83.08618	24.9
84.08997	0.4
85.06556	2.5
85.10185	1.0
89.25591	0.4
91.05484	16.2
92.05811	0.5
93.07047	23.7
94.07352	0.5
95.04977	1.4
95.08610	70.7
96.08944	1.5
97.06528	5.0
97.10172	12.0
98.22570	0.9
99.07566	0.3
99.08073	2.0
105.07031	11.3
106.07360	0.4
106.63934	0.4
107.07857	0.6
107.08594	12.3
108.55240	0.4
109.06536	1.2
109.10156	23.1
110.10507	0.5
111.08080	2.7
111.11713	3.0
115.07554	0.4
119.08581	8.7
121.10144	8.7
122.10416	0.4
123.08078	1.4
123.11711	11.6
125.09634	1.7
125.13145	0.4
127.11236	0.4
131.08563	0.8
133.10133	7.3
135.11702	5.1
137.09641	1.0
137.13255	4.1
139.11217	1.0
141.09065	0.3
147.11684	5.3
149.13263	3.1
151.11227	0.8
151.14835	1.7
153.12787	1.5
161.13249	4.0
163.14812	2.2
165.12766	0.4
165.16432	0.5
167.14453	0.4
175.14810	2.5
177.16402	0.9
180.69403	0.4
189.16449	1.0
193.15906	0.4
203.17902	0.5
245.22650	1.5
263.23627	3.0
337.27359	73.4
338.27744	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	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03929	1.8
55.01865	0.9
55.05514	40.4
57.03440	26.8
57.07079	7.1
65.03929	3.7
65.22494	0.9
67.05505	87.2
68.05827	1.6
68.89955	0.9
69.07069	48.4
71.04992	2.6
71.08627	2.3
72.08139	2.1
74.09698	1.6
75.91193	1.0
78.66353	0.7
79.05495	24.8
81.07056	84.3
82.07357	1.0
83.04967	2.1
83.08152	1.8
83.08621	25.5
85.06550	2.0
85.10162	0.8
91.05483	14.4
93.07047	21.4
95.04960	1.1
95.08606	62.6
96.08923	2.7
97.06517	4.2
97.10167	12.8
98.58234	0.9
99.08096	1.8
99.35855	0.8
105.07032	10.2
107.08583	10.3
109.06538	1.5
109.10156	26.7
111.08056	2.1
111.11736	2.4
119.08578	7.2
121.10136	9.8
123.08101	1.5
123.11708	9.9
125.09638	1.1
133.10138	8.1
135.11679	6.0
137.09698	1.0
137.13246	2.9
139.11230	1.1
147.11656	5.7
149.13242	4.5
151.11223	1.2
151.14824	2.1
153.12732	1.0
161.13257	4.8
163.14792	3.2
172.57556	0.8
175.14824	3.4
177.16273	0.9
189.16348	1.5
193.16043	0.9
245.22639	2.5
263.23831	5.4
337.27356	100.0
338.27704	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	337.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01868	3.2
55.05511	48.1
55.76767	2.8
57.03436	31.9
57.07073	3.4
65.03938	3.5
65.99766	2.7
67.05506	100.0
69.06734	4.3
69.07074	59.8
71.08621	5.2
71.22430	4.6
72.04498	6.0
79.05504	27.2
81.07059	96.8
83.08632	26.8
85.06532	3.1
91.05478	16.8
93.07049	26.3
95.08613	65.9
96.08931	5.0
97.06525	5.2
97.10175	14.8
97.56595	2.6
105.07032	12.3
107.08595	12.1
109.06500	3.2
109.10168	26.3
111.08073	4.5
119.08590	14.9
121.10162	7.4
123.11709	13.0
133.10191	4.4
135.11679	5.6
137.09698	3.3
137.13266	6.2
147.11711	6.7
149.13315	2.9
161.13266	7.2
175.14873	6.1
263.23676	2.9
337.27237	87.5
338.27542	7.9
338.34064	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01861	1.4
55.05511	28.3
57.03436	20.2
57.07064	6.3
65.03920	1.8
66.92797	1.3
67.05507	78.0
68.05819	2.0
69.07070	35.4
71.04993	2.1
71.08651	3.3
71.30580	2.1
74.00106	1.3
74.03055	1.3
79.05490	20.2
81.07056	75.9
83.05000	1.6
83.08617	21.8
85.06541	2.0
88.65795	1.7
91.05489	13.5
93.07038	16.6
95.08608	67.0
95.11718	1.5
96.08916	1.7
97.06535	4.5
97.10157	13.2
99.08080	2.1
100.44160	1.5
105.07043	7.3
107.08585	11.3
109.10155	30.8
111.11703	3.4
119.08594	7.2
121.10166	10.1
123.08096	1.5
123.11704	13.8
125.09679	1.7
133.10129	8.0
135.11681	6.8
137.09628	2.0
137.13261	3.2
137.99651	1.7
147.11656	4.6
149.13266	5.9
151.14815	2.0
161.13293	4.2
161.50923	1.4
163.14795	4.6
175.14832	3.1
188.97783	1.6
189.16341	1.9
245.22626	6.6
263.23721	11.0
291.60818	1.8
292.45590	1.6
337.27350	100.0
338.27737	7.4
338.34387	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	337.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01869	2.4
55.05515	43.6
56.05858	0.8
57.03441	23.8
57.07083	7.4
59.04983	1.0
64.98203	0.7
65.03938	2.7
66.61185	0.8
67.05508	88.3
68.05833	1.6
69.07071	41.0
69.20773	6.3
70.22408	0.7
71.04979	2.3
71.08630	3.0
79.05495	22.5
81.07061	88.7
82.07383	2.1
83.04971	1.3
83.08621	27.9
85.06535	3.1
85.10195	1.4
91.05487	15.8
93.07054	23.4
95.04984	2.4
95.08612	78.3
97.06543	4.5
97.10174	12.1
98.22667	1.7
99.08079	2.2
105.07039	10.0
107.08598	12.4
109.06512	1.9
109.10165	30.1
110.10536	1.1
111.08086	3.0
111.11710	2.9
113.09747	0.9
119.08585	10.4
121.10157	12.2
123.08079	1.3
123.11707	12.2
125.09610	1.3
129.05475	1.0
133.10136	9.7
135.11685	5.9
137.09622	1.3
137.13251	4.6
139.11162	0.9
147.11679	5.8
149.13258	4.7
151.11166	1.3
151.14842	3.0
155.43103	0.8
161.13243	5.6
163.14821	4.2
165.16403	0.9
175.14795	2.8
177.16408	2.1
181.15805	1.0
189.16406	2.4
220.78285	0.8
235.16927	1.0
245.22678	4.8
262.02228	0.8
263.23688	9.4
269.38474	0.8
337.27368	100.0
338.27802	8.3
339.42282	0.7
352.73599	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	338.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03943	1.6
55.01873	0.5
55.05515	0.9
57.03434	2.2
64.94807	0.2
67.05515	0.4
69.03439	1.2
70.06593	0.2
70.28986	0.2
70.29319	0.5
71.27563	0.2
73.02931	0.2
75.04482	1.0
75.08661	0.2
77.03917	0.5
79.05495	6.8
80.05824	0.2
80.30896	0.2
81.03418	0.8
81.07059	1.1
82.02956	1.1
83.01344	0.6
83.04973	0.2
85.02923	1.7
86.08395	0.2
91.05479	6.7
93.07047	45.0
94.07368	1.3
95.04969	1.9
95.08608	0.6
97.02856	0.2
99.04449	0.4
101.02362	0.5
103.05469	0.7
105.03374	0.3
105.04514	0.7
105.07034	7.3
106.07854	0.4
107.04935	0.2
107.08560	1.2
107.86002	0.2
109.02874	0.3
109.06548	0.3
110.02400	0.6
111.04449	0.8
111.08083	0.8
111.21548	0.2
119.08573	1.4
121.10146	100.0
122.10467	3.5
123.08096	1.2
123.11672	0.3
127.03949	0.3
131.08592	0.7
133.07626	0.9
139.11168	0.3
149.09633	6.4
149.10843	0.3
150.10013	0.2
154.04947	0.3
167.10663	2.6
168.10942	0.2
172.06091	0.3
174.72806	0.2
179.09811	0.2
190.07047	0.6
248.61157	0.2
279.26129	0.2
310.16327	0.5
338.12323	0.4
338.15976	3.5
339.24902	0.4
339.99350	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	338.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.2
69.23994	1.1
71.07372	1.2
91.05479	2.1
93.07030	0.7
95.04958	0.2
105.07050	0.2
107.04941	0.5
119.04956	2.3
121.06497	2.0
123.04412	0.5
132.08089	0.2
147.03215	0.3
147.04407	5.8
148.07558	0.6
149.08366	6.3
150.08614	0.2
161.05986	0.3
163.03900	0.6
164.10710	100.0
165.01868	0.2
165.11066	4.3
168.62070	0.2
191.03412	1.1
191.07098	0.2
203.03352	0.5
203.06926	0.3
210.11227	0.2
219.02899	1.2
221.00871	0.3
231.02869	0.4
231.06470	0.2
232.73189	0.2
233.08092	0.2
239.01950	0.4
247.02313	1.3
259.02420	0.2
275.01892	1.5
277.03564	0.2
293.02948	0.3
303.01367	0.4
321.02292	0.2
338.17102	7.0
339.03342	0.3
339.17441	0.4
364.87494	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	338.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
56.05036	1.5
62.06054	0.5
71.29203	0.3
72.04523	0.5
74.06076	0.5
79.05489	1.0
80.05041	0.3
81.07032	0.4
82.02979	0.3
83.06097	1.1
84.04506	15.0
85.02900	0.7
89.03962	0.3
91.05483	5.0
95.04987	0.4
95.08601	0.4
101.07123	1.8
103.05465	4.1
104.06248	2.7
105.03410	0.3
105.07036	5.1
107.04931	1.3
117.03374	1.0
119.04938	3.6
120.08107	1.7
121.02877	0.5
121.06525	0.4
129.06587	1.8
129.57832	0.3
130.05005	4.1
131.04927	6.9
132.05638	0.4
132.08099	1.0
133.02859	1.0
133.06633	0.3
133.08873	10.7
134.09262	0.3
135.04401	1.8
136.06184	3.6
136.07259	0.4
136.07555	0.3
137.02356	1.2
139.03867	0.7
141.09076	0.3
145.02858	1.9
145.06107	0.4
146.09634	0.4
147.04405	8.6
147.07626	0.9
148.11209	100.0
149.02373	0.9
149.11557	4.6
153.01819	0.7
157.02856	1.0
158.06035	1.8
161.02348	0.5
162.02725	0.5
163.03922	4.8
164.04245	0.8
164.10669	1.0
165.01826	2.5
165.05501	0.5
167.03436	0.4
173.02341	0.7
174.09129	0.4
175.03870	2.0
176.07112	0.9
177.01842	2.0
177.05449	1.6
179.03366	1.6
181.01256	0.5
183.02882	0.5
185.02287	0.5
189.01802	0.4
190.02205	0.5
191.03397	11.4
192.03748	0.5
192.10197	17.6
193.01334	2.1
193.05002	0.7
193.10522	1.2
195.02887	0.6
201.01848	1.4
203.03384	4.8
205.01328	1.4
205.04967	0.5
207.02884	0.9
208.03210	0.6
213.01822	0.3
217.01285	0.5
218.01711	1.0
219.02888	13.2
220.03198	0.7
221.00832	4.9
221.04410	0.6
221.12758	0.4
223.02399	1.9
227.15167	0.3
229.01331	0.6
231.02892	3.1
233.00806	3.6
235.02368	1.3
236.02699	1.4
237.03798	0.4
239.01883	6.2
241.01253	0.4
246.01187	0.6
247.02379	10.9
248.02681	0.7
249.04085	1.4
250.04428	0.3
251.01854	0.5
257.00906	1.6
259.02386	4.5
260.09100	1.4
261.09869	0.4
264.02219	0.6
265.03442	1.4
274.00613	0.6
275.01859	17.2
276.02228	0.7
277.03445	3.6
278.12622	0.5
285.00204	0.4
293.02921	4.9
303.01352	6.1
321.02322	2.8
321.14633	0.7
338.02332	3.2
338.12933	0.5
338.17050	10.0
339.03503	4.3
339.17395	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	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.6
67.05526	4.8
68.98801	22.2
79.05508	6.0
81.07065	18.4
83.08628	2.8
85.02915	9.7
89.81172	2.9
95.08609	21.0
97.06538	72.6
99.04374	3.4
107.65253	3.0
110.07200	5.8
116.33730	2.8
123.08083	19.5
127.03876	2.9
141.09111	100.0
142.09508	4.1
145.02835	8.0
147.04453	4.4
153.01848	7.9
156.07707	3.9
159.10187	12.3
177.05472	14.7
219.02985	3.2
239.01886	3.6
249.04018	3.4
275.01886	4.1
352.75308	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	338.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05517	2.1
67.05508	4.6
69.03420	3.7
69.07064	15.6
69.96373	5.8
71.04999	2.6
74.02444	2.1
79.05497	8.2
79.51714	1.7
81.03419	5.0
81.07066	6.6
82.07384	2.1
83.05022	1.9
83.94690	1.5
85.02935	1.7
85.06514	1.5
86.09711	100.0
87.10049	1.8
88.14420	1.8
89.03906	3.8
91.05479	21.2
93.07031	12.3
95.04979	6.2
100.11298	3.0
103.05498	1.9
105.07044	28.7
107.04964	7.1
107.08606	4.3
108.08949	2.0
109.02869	2.3
109.06525	5.0
115.05432	2.2
117.03376	5.3
117.07034	5.3
119.08584	30.2
121.06538	5.6
121.10172	5.3
127.03917	1.8
128.06245	7.0
129.06992	5.1
131.08554	5.6
132.10228	22.7
132.29321	1.7
133.06537	7.9
133.10141	13.3
135.04439	7.1
135.08043	3.9
135.11713	3.0
137.06021	2.5
143.08559	7.2
145.02843	19.2
145.06483	4.7
145.10147	4.9
147.04433	2.7
147.08055	53.5
148.08354	1.8
149.06001	4.5
149.09653	5.0
151.11217	2.0
161.05994	51.9
161.09630	40.1
162.06354	2.6
162.09933	2.9
163.11197	7.8
165.09167	2.9
171.08083	4.0
177.05484	38.2
177.09103	3.9
189.09126	56.9
190.09427	2.5
207.10173	72.7
208.10567	3.1
215.31888	1.9
253.12589	1.7
262.18033	3.3
274.18057	27.3
275.18399	2.6
292.19083	28.1
292.22043	1.2
308.18591	6.9
320.18567	18.3
321.09891	3.7
321.18900	2.4
338.15982	3.1
338.19736	29.2
339.12219	3.2
342.45685	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	338.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15444	0.5
55.05509	1.8
57.02099	0.5
57.07090	0.7
59.95059	0.6
63.48485	0.5
67.05152	0.7
67.05495	3.9
69.03413	0.7
69.07072	6.5
73.75959	0.5
79.05495	3.0
81.07056	8.2
83.04977	3.3
86.09708	100.0
87.10043	2.1
87.18427	0.6
88.03999	1.1
91.05481	7.3
93.07040	11.6
95.04963	2.6
95.08614	2.5
97.06573	0.8
98.22594	1.8
105.07037	12.4
107.08594	2.6
108.04502	1.0
109.06532	8.4
109.10145	1.3
111.08102	2.1
117.07047	1.2
117.37859	0.5
119.08613	4.3
121.06512	1.0
121.10110	1.1
123.08090	1.3
128.10718	4.3
129.07019	1.2
129.09337	0.5
131.08565	2.7
133.06509	1.8
133.10139	12.9
134.10483	1.0
137.06006	1.1
146.11765	36.7
146.75426	0.6
147.11688	9.2
149.09633	1.5
151.07516	3.0
151.11188	33.0
152.11536	1.0
156.10204	1.1
165.12773	2.1
167.14282	0.7
175.11179	3.5
186.07652	0.8
193.12221	3.3
200.95552	0.5
203.93050	0.6
204.16441	0.5
222.15007	2.3
260.20142	5.4
278.21161	28.0
279.21509	2.1
306.20670	3.0
320.22180	2.7
338.23282	12.5
338.26801	0.6
339.17935	0.7
339.23672	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	338.2689
Annotation	Melophlin I
Peak:m/z	Relative Intensity
50.12162	2.1
53.00315	2.3
53.04338	1.7
55.01869	2.4
55.05505	6.2
57.07083	2.1
62.06092	100.0
65.32165	2.0
66.57787	1.7
67.05502	16.8
69.07066	9.8
71.04984	2.6
71.08638	30.0
71.30229	3.3
79.05496	12.9
81.07053	14.5
83.04970	4.8
83.08614	4.1
91.05463	10.6
93.07041	15.7
95.08612	11.3
97.06585	2.8
97.10122	2.9
98.06068	4.4
99.08099	20.7
105.07028	5.4
107.08586	8.1
109.10172	3.4
119.08594	7.1
119.09400	2.3
121.10153	6.3
131.08557	4.1
133.10136	6.7
135.11700	6.8
145.10132	2.5
145.98917	2.5
151.11172	6.5
161.13266	7.8
163.11218	3.9
179.14345	11.1
185.13219	2.1
196.13364	2.7
220.60374	2.2
222.18542	22.8
240.19617	27.4
277.21643	3.8
320.25830	99.2
321.23795	2.5
321.26413	2.8
338.23590	8.2
338.26935	23.9
350.96417	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	338.9613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.9
67.05501	3.1
70.96739	5.0
70.97094	2.6
80.57996	2.5
81.07036	3.6
97.19154	2.3
98.97591	70.0
98.98206	5.6
104.99271	3.8
116.98628	41.9
119.77448	2.5
134.99680	18.6
140.00217	2.6
164.92075	10.0
165.00107	4.5
180.97919	12.6
183.01176	7.5
190.95221	2.9
193.04965	3.1
196.95093	53.7
198.98972	24.8
214.96123	11.3
232.96300	6.3
237.97803	6.2
243.55954	3.0
250.97456	3.9
256.96381	12.7
274.97507	100.0
284.18640	2.8
292.98563	57.1
297.99121	10.3
316.00159	6.3
338.96713	16.1
339.28540	3.7
352.38266	2.9
356.97760	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	339.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	39.2
69.34251	65.3
70.06591	17.1
70.83054	10.3
84.96045	12.4
91.05445	12.0
97.02888	17.2
98.22633	19.9
98.97582	57.5
110.97565	10.2
114.98524	10.5
116.98637	13.1
117.03389	18.4
119.04908	15.8
121.06538	14.6
134.99760	11.2
140.35376	10.0
145.02850	35.7
147.04440	35.2
169.01736	10.4
177.05464	100.0
191.03455	18.9
203.03448	17.5
205.05087	11.9
213.00754	32.2
233.04587	18.9
237.02826	36.2
247.02539	12.0
251.05647	12.8
275.01794	18.6
313.44278	10.0
339.04398	67.0
339.10611	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	339.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02143	0.3
51.02376	0.3
53.03930	0.4
53.91110	0.3
55.01869	2.1
62.60010	0.3
65.03941	1.7
69.02882	0.9
69.03304	1.3
71.01349	0.7
71.07359	0.4
77.03917	0.5
79.05486	1.2
83.01330	0.5
89.02396	0.5
89.03934	0.7
89.76490	0.3
91.05479	15.4
92.05796	0.3
93.03405	0.5
95.04977	2.3
97.02901	0.4
98.22546	0.6
101.02387	0.6
103.05466	0.5
107.04940	1.1
116.94076	0.3
117.03390	0.9
119.04948	34.9
119.36047	0.3
120.05250	1.2
121.02869	0.5
121.06509	1.0
123.04444	5.5
131.04915	0.9
133.02850	1.0
135.04411	2.5
137.02325	1.4
139.03883	0.6
145.02840	1.6
147.04410	100.0
148.04749	3.3
149.02332	1.3
149.08377	1.7
150.08716	0.7
157.02890	0.5
159.04437	0.8
163.03917	9.3
164.04239	0.4
164.10721	16.5
165.01830	3.0
165.05524	0.7
165.11075	14.6
167.03436	0.9
173.02441	0.6
175.03906	2.8
177.01871	2.3
177.05399	0.5
179.03395	1.5
181.01309	0.7
183.02797	1.5
185.02361	0.5
187.03891	1.0
191.03395	13.6
192.03902	0.4
193.01341	3.5
193.04973	1.2
195.02919	1.3
201.01871	1.3
203.03400	10.8
204.03606	0.5
205.01314	1.4
205.04932	0.9
207.02904	1.2
211.02402	0.6
213.01875	0.4
215.03285	0.6
219.02878	16.7
220.03278	0.5
221.00885	4.5
221.04478	1.2
223.02313	2.2
229.01329	0.6
231.02914	4.5
233.00816	3.9
235.02412	0.8
237.04062	0.3
239.01889	5.7
247.02386	18.0
248.02809	0.9
248.26305	0.4
249.03964	2.3
257.00827	1.2
259.02390	3.3
261.03894	0.4
265.03461	3.2
275.01855	18.6
276.02206	1.1
277.03406	3.1
291.05069	0.4
293.02936	7.3
297.06039	1.7
303.01334	5.1
303.34351	0.4
321.02396	3.3
338.17117	0.4
339.03479	4.5
339.07217	0.7
339.17688	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	339.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
63.04254	0.1
65.03941	1.4
69.14222	0.9
70.88824	0.1
74.78098	0.1
76.23318	0.2
79.05516	0.1
83.01353	0.3
91.05484	16.0
92.05816	0.4
95.04991	0.2
117.03379	0.2
119.04946	30.9
119.56005	0.2
120.05252	1.0
123.04494	0.2
133.02876	0.2
135.04446	0.3
137.02309	0.2
139.03944	0.2
145.02873	0.4
147.04411	100.0
148.04758	3.8
157.02939	0.2
163.03909	1.6
165.01869	0.6
165.05438	0.2
175.03886	0.3
177.01883	0.4
177.05484	0.6
179.03423	0.3
191.03416	2.5
193.01387	0.4
198.58389	0.2
201.01846	0.4
203.01836	0.2
203.03363	0.7
204.89259	0.2
205.01271	0.2
219.02866	2.3
221.00850	1.0
221.04253	0.2
223.02359	0.3
231.02882	0.7
233.00787	0.8
235.02452	0.2
239.01892	1.8
240.79227	0.2
245.49950	0.1
247.02408	2.1
248.03029	0.2
249.03865	0.3
257.00781	0.4
259.02420	0.9
265.03506	0.4
275.01831	3.8
277.03452	0.9
293.02841	0.5
303.01315	1.2
314.44025	0.2
321.02426	0.6
329.09973	0.2
339.03381	0.9
339.07004	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	339.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01859	1.5
55.92074	0.7
65.03944	1.8
67.05499	1.1
69.03420	4.5
71.05011	0.8
81.03434	3.7
81.07055	0.7
85.02882	1.7
89.03921	2.4
89.37417	0.7
91.05480	20.3
95.08598	0.8
97.02894	3.0
99.04453	4.4
101.02377	1.2
109.02872	3.2
117.03390	9.3
119.04946	35.0
119.08522	1.0
127.03933	6.5
135.04413	1.1
137.09584	1.1
145.02853	14.3
147.04414	100.0
148.04727	3.7
149.05998	2.7
149.83293	0.8
160.23645	0.6
163.03880	0.7
168.98511	0.7
177.05469	31.4
178.04893	5.3
191.03453	1.1
195.06503	1.1
219.02948	0.8
321.09872	1.2
332.64249	0.9
362.66278	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	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01636	0.5
55.01877	4.7
63.02373	0.5
65.03938	1.5
67.43277	0.4
71.28963	0.4
73.02921	0.7
79.05490	1.5
83.01343	0.6
89.03915	0.5
91.05482	14.6
91.70099	0.6
92.84692	0.4
95.01322	0.9
101.02393	0.8
103.05454	1.2
107.04964	1.7
113.02405	0.5
117.03370	1.4
119.04951	32.0
120.05270	1.3
121.02822	0.7
129.01859	0.6
131.04926	0.7
132.48967	0.4
133.02856	1.7
135.04408	2.2
136.32141	0.5
137.02357	1.7
139.03929	0.7
145.02800	2.0
147.04414	100.0
148.04755	3.5
149.02362	1.3
157.02875	1.0
163.03912	9.7
165.01854	4.2
165.05537	1.1
173.02383	1.4
175.03925	3.5
177.01851	3.2
177.05482	1.8
179.03368	2.4
181.01337	0.8
183.02879	0.4
185.02354	0.8
187.03926	1.2
189.05490	0.7
191.03397	23.3
192.03755	0.6
193.01332	3.2
193.04968	1.7
195.02863	0.9
201.01825	2.7
203.03387	5.4
205.01331	1.6
207.02907	1.3
211.02411	0.4
213.01843	0.6
215.03441	0.4
217.01454	0.4
217.04999	0.8
219.02893	21.3
220.03317	0.6
221.00844	9.8
221.04317	0.8
222.01164	0.5
223.02367	2.7
229.01395	1.2
231.02887	7.7
233.00829	7.2
235.02409	1.1
237.03986	0.8
239.01871	12.8
239.04224	0.8
241.01451	1.0
247.02390	16.0
248.02745	1.1
249.03922	2.0
251.01881	0.7
257.00909	2.6
259.02408	7.8
263.05505	1.5
265.03494	1.7
275.01862	33.3
276.02252	1.8
277.03461	7.4
285.00259	0.9
293.02921	5.0
293.06076	0.6
303.01379	11.6
304.01535	0.8
319.96866	0.4
321.02426	5.2
339.03439	9.6
339.07135	2.1
339.12167	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	339.1074
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.32130	0.3
55.01873	3.4
56.48038	0.3
65.03939	0.9
69.03419	1.2
71.28310	0.4
72.55464	0.3
73.02916	1.7
79.05501	0.5
81.03440	0.4
83.01328	2.2
85.02892	0.8
89.03908	0.4
91.05480	11.8
95.01324	1.5
96.41553	0.3
97.02909	0.4
97.51122	0.3
101.02380	2.5
107.04941	0.6
113.02380	1.1
117.03375	0.7
119.04944	29.5
120.05273	0.8
120.08092	0.5
129.01837	0.9
129.26556	0.3
131.04903	0.4
135.04384	0.5
137.02396	0.6
139.00281	0.4
145.02861	1.6
147.04407	100.0
148.04739	3.6
157.01305	0.5
163.03918	2.9
165.01848	1.0
165.05476	2.5
175.03873	0.7
177.02014	0.5
177.05458	3.3
179.03410	0.6
181.04871	0.3
191.03369	4.3
193.01299	0.9
201.01849	0.6
203.03368	1.4
205.01341	0.7
219.02899	3.9
220.18222	0.3
221.00879	1.5
221.04463	0.4
223.02425	0.3
224.40453	0.3
231.02904	1.3
233.00809	1.5
239.01805	2.0
247.02399	3.4
257.00677	0.6
259.02454	1.4
275.01852	7.8
276.02020	0.4
277.03378	1.2
293.02933	1.1
293.06326	0.5
303.01306	2.4
321.02417	1.3
339.03369	1.6
339.07123	7.6
339.10831	0.3
340.07407	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.01876	3.0
55.20126	0.4
57.03478	0.3
65.03955	0.4
69.03437	2.2
73.02924	0.4
79.05510	1.3
80.01651	0.3
84.22262	0.3
89.03915	5.7
91.05472	2.9
93.07047	0.3
95.01349	0.6
95.04977	0.4
96.06854	0.3
97.02922	1.4
98.23429	0.9
101.03924	0.4
103.05496	1.3
107.04971	1.0
109.02863	0.4
109.06499	0.4
115.07594	0.6
116.07269	0.3
117.03384	16.2
117.06998	0.4
118.03704	0.4
119.04944	4.5
121.02889	1.2
121.06497	0.6
123.04459	1.0
127.03916	0.7
131.04932	1.7
133.02855	0.5
134.03644	1.0
135.04433	4.5
137.02332	1.0
137.05983	0.6
143.07027	0.5
145.02853	46.1
146.03185	1.2
147.04410	24.3
148.04752	0.6
149.02371	2.3
149.05989	6.3
151.03989	0.5
157.02858	0.8
159.04451	0.8
161.06035	0.4
163.03903	16.0
164.04193	0.7
165.01828	2.2
165.05515	0.5
173.02440	0.7
173.06013	0.7
175.03880	3.3
177.02145	4.3
177.05472	100.0
178.05859	4.1
179.03413	1.2
185.02393	0.7
186.05463	0.4
187.03925	1.6
189.05469	0.5
191.03394	13.1
192.03683	0.7
193.01364	1.9
193.05028	0.5
195.02950	0.6
195.06505	0.5
201.01819	1.5
203.03398	40.5
204.03802	2.1
205.01346	1.4
205.04941	1.9
207.02928	1.0
215.03386	1.9
217.01341	0.4
219.02901	13.5
221.00821	5.4
221.04311	0.4
223.02364	1.4
229.01280	0.6
229.05005	1.1
231.02895	10.0
233.00859	4.1
233.04402	1.6
235.02364	0.8
237.03984	0.5
239.01857	7.0
241.01573	0.5
247.02377	9.6
248.02763	0.6
249.03928	1.0
257.00775	1.6
259.02377	4.7
261.03937	2.2
265.03317	1.1
275.01874	18.5
276.02185	1.0
277.03452	4.1
279.05026	3.0
285.00342	0.4
291.05038	1.9
293.02939	2.5
294.03333	0.3
303.01385	7.0
304.01694	0.7
321.02408	3.2
339.03452	6.2
339.07098	0.7
339.10623	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.01602	0.4
53.03944	0.8
53.80008	0.3
53.80754	0.3
55.01865	0.6
55.40548	0.4
57.03439	1.0
63.02386	0.6
69.03426	1.6
71.30687	0.6
73.02928	0.5
81.03431	2.2
81.07055	0.9
85.02900	1.4
88.67921	0.4
89.03922	8.6
91.05490	1.2
93.07048	0.3
95.04939	0.4
95.08613	0.4
97.02937	0.5
98.97637	0.3
99.04444	0.9
103.05453	0.4
106.04166	0.7
107.08607	0.4
109.02868	0.9
117.03381	25.7
118.03680	0.6
119.04947	0.4
121.06477	0.7
123.42043	0.3
127.03929	0.5
134.03583	2.1
135.04427	1.8
137.05980	1.0
137.47156	0.4
145.02846	60.3
146.03168	1.9
148.35736	0.3
149.04890	0.6
149.05986	7.8
151.03844	0.5
162.03137	0.6
163.03903	0.7
177.05473	100.0
178.05814	4.7
186.05534	1.3
190.43875	0.3
195.06464	0.4
207.08202	0.4
219.07703	0.4
264.07901	0.6
274.41849	0.4
279.08313	0.6
307.09613	0.8
321.09796	0.5
339.10928	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.25434	0.6
53.03943	0.6
54.02354	0.5
55.01860	0.7
55.05511	1.0
61.49060	0.5
66.74360	0.7
67.05492	0.7
69.03422	1.5
69.07058	1.1
69.62267	0.6
71.04999	0.8
71.30616	0.5
79.05486	0.6
81.03422	1.2
81.07040	1.9
81.31474	0.5
84.78599	0.6
85.02917	0.6
89.03919	5.0
91.05467	1.6
93.07034	2.5
95.08635	1.1
97.02885	1.6
97.10155	0.6
98.97590	1.0
103.05447	1.7
105.07035	1.2
107.04941	2.0
107.08588	0.7
109.10130	1.2
117.03383	15.9
119.08582	0.7
121.02822	0.7
121.06520	6.1
121.10190	1.0
122.06834	3.6
123.11702	0.8
125.05980	0.8
127.03961	0.6
131.08527	0.6
134.03651	1.1
135.04405	0.8
137.06024	2.9
137.09578	0.6
145.02852	47.6
146.03183	1.8
149.05995	7.7
151.03896	0.8
160.05173	1.1
161.05946	0.9
163.07549	0.8
165.07014	1.0
175.07561	1.6
176.07925	1.0
177.05476	100.0
178.05832	4.3
185.06024	0.5
189.06996	1.2
190.07799	1.1
191.08574	1.2
195.06589	0.8
201.05351	6.0
202.05687	6.6
206.07303	0.7
207.08096	0.8
218.07472	1.1
219.08183	2.8
221.05934	1.1
221.09669	0.7
234.06680	0.7
235.07539	1.9
236.08260	1.6
247.07523	2.0
251.06818	0.6
251.10590	1.4
256.88251	0.6
261.09399	0.8
263.07095	1.1
264.07919	1.9
265.08484	1.4
274.97607	0.9
275.07205	0.8
277.08609	1.4
279.10205	2.7
307.09735	4.0
308.10110	1.2
309.07477	0.6
309.79199	0.6
311.12775	3.6
321.10712	0.8
324.09979	0.8
339.12027	10.5
340.12714	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	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
53.03944	0.8
53.80008	0.3
53.80754	0.3
55.01865	0.6
55.40548	0.4
57.03439	1.0
63.02386	0.6
69.03426	1.6
71.30687	0.6
73.02928	0.5
81.03431	2.2
81.07055	0.9
85.02900	1.4
88.67921	0.4
89.03922	8.6
91.05490	1.2
93.07048	0.3
95.04939	0.4
95.08613	0.4
97.02937	0.5
98.97637	0.3
99.04444	0.9
103.05453	0.4
106.04166	0.7
107.08607	0.4
109.02868	0.9
117.03381	25.7
118.03680	0.6
119.04947	0.4
121.06477	0.7
123.42043	0.3
127.03929	0.5
134.03583	2.1
135.04427	1.8
137.05980	1.0
137.47156	0.4
145.02846	60.3
146.03168	1.9
148.35736	0.3
149.04890	0.6
149.05986	7.8
151.03844	0.5
162.03137	0.6
163.03903	0.7
177.05473	100.0
178.05814	4.7
186.05534	1.3
190.43875	0.3
195.06464	0.4
207.08202	0.4
219.07703	0.4
264.07901	0.6
274.41849	0.4
279.08313	0.6
307.09613	0.8
321.09796	0.5
339.10928	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	339.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54214	1.0
55.01873	9.7
56.05040	10.2
57.03440	3.0
58.06617	2.0
58.99595	1.3
67.05509	5.5
68.09605	1.1
69.07069	1.6
71.05000	1.6
71.29536	1.6
74.06080	4.2
78.71293	1.0
79.05506	2.9
81.03416	1.6
81.07059	1.8
82.06577	4.1
82.67284	1.0
84.04509	8.1
84.93897	1.0
85.02902	1.9
88.02226	6.2
88.04022	1.1
91.05470	8.9
92.05827	3.0
93.07035	2.5
95.04960	1.0
95.08570	1.5
96.04507	10.5
97.02882	1.6
99.04481	1.0
100.03999	5.1
101.02393	1.9
101.35114	1.2
101.41580	1.1
102.05556	2.5
103.05495	1.2
105.00078	1.5
105.07034	2.8
107.08627	1.2
108.64418	1.1
109.02895	2.7
110.06052	21.5
111.04414	1.4
112.03996	9.7
112.07609	2.8
113.93728	1.0
115.05495	1.4
117.03379	2.1
117.07009	4.3
118.07352	3.8
119.04942	2.5
120.04482	3.2
121.06570	2.1
122.02727	2.9
122.40380	1.2
128.06236	1.5
128.07103	4.3
129.07004	6.1
130.05000	2.8
130.07341	6.4
131.08572	3.3
132.04427	3.1
132.08916	2.4
134.02721	1.2
135.04391	2.3
137.05986	3.2
138.05510	100.0
139.05853	1.4
140.03438	3.7
140.07083	6.9
143.08572	3.0
144.08881	2.4
145.02852	6.1
145.10110	1.2
146.06020	1.4
146.10487	2.2
147.04411	8.0
149.06001	2.2
151.84149	1.0
156.06563	30.0
157.06895	1.3
161.05934	2.0
163.03899	2.6
165.05443	1.2
166.05000	20.6
167.05354	1.1
169.10123	1.7
170.10556	1.5
171.11681	3.1
172.12050	3.0
174.05522	19.5
175.07564	2.6
176.07904	2.1
177.05478	8.6
178.05858	2.3
184.06067	42.6
185.06288	1.6
189.09161	1.7
190.09525	1.0
191.03413	4.3
200.11469	3.5
202.05037	40.0
202.07129	65.9
203.05547	1.4
203.07498	2.9
216.11015	1.6
217.12257	2.2
218.12611	6.8
219.02902	10.2
220.06058	12.8
249.07599	3.5
276.03302	1.1
279.10278	1.5
285.01166	1.4
293.10220	4.7
303.09937	1.7
307.09644	1.8
321.10950	3.1
339.05063	1.3
339.10791	9.7
339.14780	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03955	2.8
53.79217	1.5
55.05512	54.1
57.03451	1.9
57.07069	4.1
67.05508	11.3
67.99071	1.6
69.03429	5.6
69.06729	3.2
69.07071	37.1
71.04990	3.6
79.05499	7.0
81.03426	2.6
81.07054	43.6
83.04990	4.5
83.08622	4.9
85.06549	3.5
89.03920	1.7
91.05486	6.8
93.07043	19.3
95.04994	5.2
95.08604	47.0
97.06532	5.4
97.10170	100.0
98.10492	3.0
98.97545	1.9
99.04492	1.5
99.08115	2.6
101.06005	3.0
105.07043	13.1
107.08593	11.9
109.02868	3.0
109.06497	2.8
109.10157	17.3
111.08102	4.4
111.11745	5.8
117.03407	4.6
118.63142	1.5
119.08553	7.9
121.10139	15.6
123.08048	2.6
123.11729	9.9
125.09636	18.7
131.08586	3.5
133.10124	3.4
135.08127	1.7
135.11700	9.3
136.07590	2.4
137.09639	6.9
137.13274	4.4
139.11172	14.8
143.10674	39.0
144.08113	4.6
144.10971	2.5
145.02866	12.7
145.10147	3.0
147.08090	1.7
147.11713	5.8
149.13268	4.5
151.11156	2.7
153.12767	2.6
155.63437	1.6
157.10088	1.8
157.12241	8.8
159.11720	2.8
160.11296	2.0
161.13322	3.6
162.78079	1.8
163.11192	1.7
165.09145	7.2
165.12811	3.6
167.10684	1.7
171.10248	2.4
173.13225	2.4
177.05460	22.3
177.12744	1.9
177.16435	1.7
178.05841	1.7
179.14481	2.0
181.08667	2.2
185.11780	1.7
189.11166	8.0
190.07863	1.9
203.12794	1.7
203.17894	2.0
230.19016	2.4
277.21671	3.7
285.22119	2.5
293.24728	1.8
303.23187	10.2
307.09720	3.8
321.09763	2.3
321.24225	22.6
322.24649	2.1
339.25183	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
51.13065	0.4
53.00330	0.4
53.03947	1.6
55.01869	1.2
55.05513	55.2
55.80670	0.4
56.05849	0.7
57.03439	27.5
57.07079	24.0
65.03934	0.8
67.05507	35.6
68.05836	1.1
69.03436	0.4
69.07069	65.9
70.07400	1.6
71.04994	2.0
71.08633	10.3
71.09010	0.8
71.29557	0.7
73.06548	1.0
79.05494	16.6
81.07058	39.4
82.07410	1.1
83.04975	1.7
83.08620	42.5
84.08936	1.0
85.06557	2.5
85.10182	5.6
91.05476	3.7
93.07046	20.1
95.04993	0.7
95.08608	36.5
96.08947	1.2
97.06528	8.3
97.10170	25.1
98.10509	0.8
99.08099	1.5
105.07041	1.4
105.14532	0.4
107.08596	13.4
109.10158	16.9
110.10484	0.8
111.08101	4.2
111.11720	7.8
113.09630	0.8
115.07569	0.7
119.08649	0.4
121.10147	21.2
122.10525	0.7
123.11697	5.6
125.09624	2.8
125.13284	1.7
127.11282	0.8
135.11691	13.7
137.13252	2.1
138.77194	0.5
139.11230	2.5
139.14882	0.5
148.67540	0.4
149.13260	6.8
151.14769	2.1
153.12767	2.9
163.14850	3.4
165.16396	1.8
167.14284	0.9
177.16418	1.6
181.15878	0.7
191.18002	0.9
193.05052	0.7
205.19556	0.6
247.24217	3.4
265.25241	5.3
266.25430	0.6
283.16965	1.0
339.28937	100.0
340.29279	8.7
340.35635	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	339.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42871	1.9
53.03942	2.2
55.01870	6.8
55.05511	30.3
57.03431	6.7
57.07077	100.0
67.05505	53.8
69.07071	37.7
69.44386	7.8
71.04989	5.9
71.08633	75.1
71.54545	2.1
79.05496	14.7
81.07059	58.9
83.08621	47.0
85.06548	27.8
85.10183	34.6
91.05486	4.2
93.07032	18.0
95.08607	78.1
97.06535	37.8
97.10159	23.6
99.11716	3.3
105.07021	2.2
105.14965	2.0
107.08600	8.4
109.10157	31.0
111.11734	7.7
114.40347	1.9
121.10165	13.5
123.10944	2.2
123.11700	11.7
125.13242	2.7
132.39146	1.9
135.11700	7.1
137.13277	6.6
149.13307	2.3
151.14787	3.2
221.22575	4.0
239.23677	23.4
240.23958	3.1
303.30463	3.3
309.31525	7.3
321.31482	39.6
322.31830	3.6
339.28790	26.4
339.32642	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	339.9833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77764	1.6
60.11541	1.4
70.37213	3.7
86.71498	1.4
94.93011	30.8
96.92843	8.2
104.10760	4.0
104.64209	1.6
109.91690	2.1
110.07142	2.0
110.47764	1.6
112.46053	1.7
112.89597	4.0
114.15681	1.7
114.89333	12.2
116.89129	4.0
119.92502	4.6
122.92507	2.6
136.94009	7.8
148.88046	6.1
150.87863	10.7
150.91937	6.3
150.95436	1.8
151.92311	2.3
152.91702	2.0
152.93546	2.2
166.95058	2.1
173.97205	9.7
176.89394	2.9
176.93558	5.3
178.76161	1.8
178.93379	2.0
178.95039	3.0
179.82196	1.7
179.95395	2.1
180.94992	1.8
180.96643	3.4
181.96999	2.0
182.96457	3.0
188.93600	3.8
194.94521	1.8
204.87129	2.7
212.85216	22.4
217.96210	6.9
218.94600	2.4
219.94112	84.2
220.88377	3.5
221.95683	8.1
235.97371	2.2
245.90475	2.2
246.90004	6.4
249.95193	19.4
259.01984	1.6
261.92807	3.1
261.95255	6.6
263.92691	8.2
265.92389	2.5
279.96204	100.0
280.96561	4.3
281.14883	1.8
321.92014	1.8
322.91940	1.8
339.93588	3.1
339.98282	17.2
340.09369	3.9
340.92575	2.6
350.41510	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	340.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81754	1.8
55.01867	4.1
58.68419	1.9
83.17336	1.8
104.43159	1.9
105.07035	2.9
107.04980	10.8
119.04993	3.5
121.02911	2.7
123.04457	2.3
123.11080	2.1
125.89798	2.1
131.04921	9.9
133.02876	9.7
133.06491	11.9
135.04356	3.2
147.04408	19.4
148.04726	3.2
149.06001	6.2
159.04445	5.6
161.02315	10.4
161.05974	17.8
171.04344	4.7
177.05354	2.4
179.03448	5.8
187.03947	10.6
189.05463	42.7
199.03891	10.8
205.04968	3.8
208.68341	1.9
217.04953	45.6
218.05475	2.0
263.05521	100.0
264.05914	5.8
294.44586	1.9
305.06671	3.4
307.20706	2.4
323.07544	14.3
340.10358	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01873	2.5
57.03427	2.3
61.02278	0.9
61.02916	4.3
67.05498	1.2
69.03426	8.6
69.07071	34.3
70.06602	6.2
71.29166	1.0
72.08164	1.0
73.02914	2.1
73.04776	1.5
73.06560	7.5
73.94085	1.1
75.04530	0.9
79.05485	4.0
81.03448	4.9
83.01366	1.0
84.04510	1.7
84.08163	1.1
85.02904	23.4
85.22614	0.9
86.09703	3.1
87.04468	2.4
91.05791	3.3
96.94789	1.2
97.02894	9.5
97.06539	12.4
99.04444	2.3
104.05000	5.1
109.02867	3.3
110.07141	4.5
115.07568	11.5
116.07097	2.3
120.08124	1.9
120.78506	0.9
125.05992	14.4
126.99670	1.0
127.03933	7.7
130.06575	1.4
132.04449	31.4
132.05389	2.0
132.08101	3.0
133.04736	1.0
134.09705	1.3
140.93906	1.1
143.07039	54.4
145.04965	3.5
147.04364	2.4
148.04744	2.8
148.07581	1.7
150.05434	1.1
153.01825	1.8
156.07687	2.6
160.03947	17.7
160.07581	5.2
161.08098	69.8
162.05527	3.3
163.03912	2.0
164.04253	1.4
165.52478	1.0
178.04994	100.0
178.10764	1.4
179.03473	1.5
179.05338	4.4
181.09665	1.2
184.88081	1.1
192.03773	3.2
220.03171	2.5
227.37488	1.2
232.03308	1.2
238.41605	0.9
238.44456	1.0
240.02220	1.5
241.96744	0.9
248.02565	2.3
269.10187	1.3
276.02383	5.8
278.03806	1.7
278.07111	1.0
287.11307	1.9
304.01846	1.2
340.03235	1.5
340.13898	1.6
341.11801	1.6
359.02875	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	340.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.6
67.00851	3.7
69.03428	8.7
69.07071	5.5
70.56044	12.5
73.04778	7.6
83.08620	91.2
97.10180	44.3
107.08575	4.9
109.02904	7.1
121.06509	4.5
125.09635	19.8
131.04863	4.1
133.06497	5.8
136.07629	6.3
137.05986	12.6
143.10678	100.0
146.88297	4.0
161.11757	19.1
187.07602	11.2
250.34128	4.7
279.09988	8.0
297.11215	6.8
309.11349	7.1
311.12888	13.0
340.09711	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	340.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.6
67.00851	3.7
69.03428	8.7
69.07071	5.5
70.56044	12.5
73.04778	7.6
83.08620	91.2
97.10180	44.3
107.08575	4.9
109.02904	7.1
121.06509	4.5
125.09635	19.8
131.04863	4.1
133.06497	5.8
136.07629	6.3
137.05986	12.6
143.10678	100.0
146.88297	4.0
161.11757	19.1
187.07602	11.2
250.34128	4.7
279.09988	8.0
297.11215	6.8
309.11349	7.1
311.12888	13.0
340.09711	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.01876	1.8
55.05512	4.1
56.05006	1.0
57.07079	1.1
58.02959	3.0
62.48043	0.8
65.03931	1.3
67.05520	5.1
69.07066	13.4
71.05001	8.1
79.05496	12.2
79.76396	0.8
81.07063	3.7
83.04994	2.9
83.08630	1.3
84.08127	0.9
85.06543	7.9
86.09709	100.0
87.10053	1.2
89.06013	1.2
91.05470	10.5
93.07053	13.1
95.04977	3.6
95.08594	1.9
97.06536	1.7
99.08096	3.5
100.11268	5.0
105.07035	16.6
107.04951	8.0
107.08600	19.3
108.37851	1.0
109.06549	2.6
111.04462	5.4
114.09185	7.7
115.05486	1.1
117.07047	4.8
119.08588	10.4
121.06505	6.5
121.10133	13.4
123.04443	1.4
123.08089	1.8
125.06016	1.1
128.10698	5.6
129.07024	2.6
131.04932	1.0
131.08566	19.4
132.09190	1.7
132.10201	25.3
132.11140	1.5
133.06477	1.3
135.04390	4.8
135.08089	2.4
135.11655	1.9
137.05968	11.9
137.06915	1.1
137.09641	4.7
142.08646	5.3
143.08702	1.0
145.06482	2.2
145.10130	10.9
147.08089	5.2
147.11711	2.3
149.05998	3.0
149.09628	41.8
150.09949	1.3
153.32283	1.0
156.10243	1.2
163.07562	2.2
163.11195	17.6
165.09094	4.6
165.12849	1.4
167.10686	47.9
168.11061	2.6
173.09656	4.2
175.07550	3.2
177.05544	1.5
182.15457	6.7
187.07607	2.6
188.03378	4.5
189.09148	1.1
190.38678	1.1
191.10678	31.7
192.11079	1.1
196.13213	1.0
198.23563	0.8
199.18126	4.9
203.08755	1.7
206.15453	1.8
208.13341	1.2
209.11732	37.9
210.12010	1.0
210.14885	8.3
211.07555	1.4
217.08665	1.3
219.08095	1.5
231.08127	1.9
237.08945	1.0
238.14395	3.5
239.07051	1.2
240.07820	2.0
248.08250	2.0
252.15891	1.2
255.06476	1.0
256.15338	1.1
258.18683	2.5
259.07578	1.4
263.10797	2.1
270.08932	2.1
271.09634	3.6
276.08002	1.3
276.19626	18.0
291.10153	4.4
294.20630	10.1
304.19128	3.0
309.21707	3.5
322.20154	12.7
322.23901	1.7
323.12885	3.6
323.20471	1.1
340.21228	9.2
340.25928	3.9
341.13907	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
55.05530	1.3
55.78748	0.7
57.03444	0.8
62.72942	0.6
64.52420	0.8
67.05510	4.3
69.07069	12.7
69.63204	3.5
71.04728	0.7
71.05004	7.7
74.02462	0.8
76.77096	0.8
79.05499	12.8
81.07050	3.3
83.04987	2.4
85.06550	8.8
86.09709	100.0
87.10081	1.2
91.05478	8.8
93.07039	12.5
93.07563	1.3
95.04967	3.5
95.08599	2.0
97.06567	1.4
98.22616	0.8
99.08114	2.1
103.05445	0.7
105.07037	15.5
107.04967	4.8
107.08602	19.8
109.06538	2.0
111.04453	6.5
117.07021	4.5
119.08594	8.5
121.06508	7.0
121.10155	9.2
123.04451	1.1
123.08083	0.9
128.10741	4.4
129.06992	2.9
130.07788	1.0
131.08580	19.3
132.10211	27.5
135.04401	4.9
135.08066	1.0
135.11693	1.0
137.09613	7.2
145.06494	1.8
145.10117	12.1
147.08037	4.0
147.11716	1.8
149.05994	2.2
149.09624	39.9
150.09956	2.0
155.08543	1.0
163.07571	1.6
163.11200	18.2
163.12505	1.4
165.09109	5.7
165.12842	1.4
167.10689	50.5
168.10994	2.3
173.09656	6.1
191.10677	32.9
192.11035	1.2
192.13861	0.8
206.15433	1.1
208.13368	0.8
209.11731	37.1
210.12010	1.4
210.14859	5.0
238.14445	1.9
252.15994	1.3
256.15601	1.8
256.62082	0.7
258.18530	3.3
276.19620	17.5
294.20624	11.5
304.19055	2.6
322.16675	1.4
322.20184	14.9
340.21246	7.0
358.22989	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	340.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40203	1.4
71.08633	19.1
71.82859	1.1
85.02899	1.5
88.11272	100.0
89.11620	1.7
91.05430	2.9
92.05790	2.8
98.23296	3.3
104.83001	1.3
107.04967	1.8
110.07166	1.9
119.04929	4.3
120.05270	6.4
123.04423	2.4
147.04384	17.0
147.05446	1.7
148.04744	19.8
156.07755	1.5
163.03970	4.8
164.04303	1.8
165.01843	1.8
166.02199	1.4
191.03415	4.4
192.03697	8.1
217.04912	1.5
220.03215	6.3
221.00778	1.5
222.01186	2.6
224.02974	1.4
232.03305	3.0
233.00969	1.4
234.01265	2.0
239.01880	1.6
240.02194	4.0
247.02341	1.8
248.02663	7.5
250.04486	1.8
258.01138	1.4
260.02859	3.2
263.05521	2.5
275.02011	2.0
276.02222	13.4
278.03775	4.7
304.01675	3.9
322.02942	2.3
340.03809	4.2
341.08414	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	341.026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94933	2.0
69.16780	11.2
70.06597	4.0
70.11810	1.9
70.36829	1.9
73.04739	2.2
91.05804	5.6
94.93020	100.0
96.92852	2.4
166.91458	30.6
195.06502	2.3
196.04831	14.0
204.87044	11.7
212.85196	85.4
213.07486	46.5
220.94292	2.1
251.03139	23.8
253.90630	2.0
280.96478	4.2
318.33578	2.3
341.14127	3.0
359.03235	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	341.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87881	79.5
70.06605	100.0
81.03413	20.0
85.02924	34.6
86.65465	18.4
94.93020	38.6
96.92820	39.8
98.23269	29.5
103.54659	17.5
110.07178	69.9
121.06548	54.8
127.44773	23.5
133.32234	20.1
150.87920	20.8
156.07703	26.8
164.03714	21.4
171.54449	19.8
212.85213	46.3
225.01289	93.3
280.96573	22.9
341.06091	31.2
341.12418	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	11.2
70.75375	21.4
73.04756	34.3
80.01301	10.5
81.03406	11.8
84.29446	10.7
91.05796	88.6
94.23660	9.5
98.97598	11.2
137.05988	35.3
139.03911	17.5
149.71184	8.5
151.04044	10.6
167.03392	12.6
180.06564	100.0
196.87392	10.4
220.02075	10.6
341.06125	13.8
341.08505	16.6
342.99567	15.0
359.02823	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83063	2.3
55.01873	4.4
57.44843	3.0
69.04991	18.8
73.04752	7.0
86.28854	2.1
91.05859	5.3
95.04977	6.1
107.04957	6.8
115.76448	2.5
119.04953	23.8
123.04438	25.4
133.02841	5.6
133.06503	6.5
135.04530	2.5
147.04419	100.0
148.04732	6.2
149.04948	3.4
153.01859	3.4
159.02022	2.3
159.04570	3.2
161.02339	3.8
161.05960	7.2
163.03935	3.7
165.05504	8.6
179.03470	6.9
187.03995	6.4
189.05493	15.7
190.05801	2.5
190.18216	2.2
199.03928	3.6
217.05031	19.7
218.05293	3.1
241.02512	2.3
263.05499	32.0
264.05841	4.7
277.02377	5.8
323.07828	4.1
359.02939	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	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03952	0.3
56.79832	0.2
57.03431	0.3
58.44095	0.2
59.10765	0.2
61.02917	0.2
67.05495	0.2
69.03429	1.1
73.04751	0.8
76.10378	0.2
81.03391	0.3
85.02912	2.2
87.25499	0.2
89.03918	0.6
91.05843	1.5
95.04954	0.3
97.02900	0.9
98.06028	0.4
102.05549	0.3
105.03384	0.8
105.63268	0.2
107.04945	0.7
109.02883	0.4
110.02049	0.2
117.03332	0.3
123.04435	10.6
124.03927	0.2
124.04758	0.4
127.03943	0.5
132.04507	0.2
132.08025	0.3
133.02861	8.6
134.03210	0.3
135.04430	2.2
137.05980	1.9
145.04974	0.3
151.03908	4.1
157.84772	0.2
163.03925	0.3
179.03397	100.0
180.03728	3.6
180.06454	0.2
187.07518	0.5
221.03354	0.2
247.07500	0.3
277.02350	0.3
305.01776	0.2
323.12518	1.2
341.08456	0.5
341.12222	0.6
342.09891	0.4
342.99542	0.5
359.02884	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	341.1021
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01878	51.4
65.03941	4.6
66.36410	1.4
69.07076	2.6
69.60934	7.7
77.36577	1.5
77.37685	1.5
79.05477	4.2
81.07060	3.1
83.04995	1.9
84.39129	1.7
85.02910	2.2
90.10805	1.4
91.05481	5.2
93.03442	2.2
93.07071	3.0
95.08617	3.6
96.02118	4.0
98.23305	2.2
103.05463	4.0
105.07027	10.2
107.01308	2.1
107.04968	2.2
111.04454	11.4
112.45364	1.5
115.05439	8.4
117.03397	1.6
117.07007	3.3
118.04187	2.6
118.82314	1.6
119.08580	2.4
121.06515	3.0
123.04404	2.8
128.06197	3.1
129.06998	4.9
131.04932	6.0
133.06502	19.4
137.05991	8.2
139.03870	8.0
141.07051	2.0
143.04932	2.4
144.05690	3.3
145.02905	2.4
145.06468	7.9
146.03616	2.2
146.07292	2.5
147.04402	2.2
151.03934	2.6
152.06233	3.0
153.05502	3.1
153.07004	6.0
154.07791	1.6
157.06508	2.9
159.04471	3.4
159.08102	2.6
161.05984	26.3
162.06433	2.0
165.05786	2.6
165.06973	11.8
166.07819	2.9
167.03444	6.1
167.04736	1.6
167.07034	4.7
167.08432	3.6
168.05704	3.4
169.06491	1.9
170.03648	3.6
170.07314	2.0
171.04350	2.9
171.05626	4.4
171.08051	2.1
172.05164	2.1
173.05971	9.5
174.06767	14.7
175.07539	5.5
177.05528	1.7
177.07089	2.2
178.07770	4.7
181.06491	17.8
182.07222	6.9
183.08046	3.5
184.05205	1.9
185.06085	3.2
186.03096	2.1
187.03885	2.3
187.07544	5.5
189.05482	42.6
189.07018	2.3
190.05893	3.3
192.05750	5.9
193.06529	6.1
194.07301	4.8
195.08035	3.7
196.05188	2.0
196.08826	2.0
197.05977	2.6
198.06749	2.4
199.07530	4.6
201.05519	22.4
202.06198	14.9
203.06993	6.3
205.06602	7.7
206.07272	5.2
207.08028	5.1
209.05974	14.5
210.06754	19.4
211.07545	8.1
213.05493	3.4
213.09113	4.0
220.05186	6.6
221.05975	15.6
221.09738	2.0
222.06749	5.8
223.07544	6.2
224.08322	7.4
225.09103	8.8
226.06187	2.6
227.07022	22.3
233.06013	3.0
234.06754	4.8
235.07469	12.1
236.08266	3.5
237.05440	16.7
237.09105	2.1
238.06268	13.6
239.06952	9.4
241.08575	3.6
243.06535	8.2
248.04721	5.5
249.05437	14.2
249.09258	3.3
250.06224	7.4
251.07060	11.4
252.07755	14.5
253.05043	2.0
253.05516	2.4
253.08600	41.8
254.09073	3.4
255.06566	24.0
256.07141	8.3
257.08206	1.9
263.07028	27.3
264.07397	3.6
265.04977	17.3
265.08273	3.5
266.05856	9.3
266.08704	1.6
267.06528	22.0
267.10080	8.1
268.07248	2.1
269.08078	3.1
270.08890	4.3
277.04910	4.1
277.08371	2.9
278.05734	3.3
279.06406	7.8
280.07227	18.8
281.08121	36.2
281.11392	3.1
282.05688	2.2
282.08652	8.9
283.06049	14.7
285.11221	8.1
286.08487	3.2
287.09158	9.0
291.06747	3.7
292.07294	6.4
293.08078	2.3
294.05362	2.6
294.08575	2.8
295.06094	4.2
295.09674	18.5
297.07587	2.6
298.08282	8.3
305.24475	1.9
308.06802	5.1
309.07596	53.4
309.11078	4.9
310.08292	19.1
311.09109	2.3
313.10596	21.5
323.09183	31.9
324.09293	2.3
326.07773	2.4
341.10196	100.0
341.13742	7.9
342.10513	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07476	1.4
55.01873	2.3
56.96563	3.6
57.67604	1.2
60.53811	1.3
65.03938	2.6
67.05505	4.0
69.07068	3.1
70.24149	1.5
70.24477	3.0
71.05005	6.7
73.04763	2.6
79.05499	7.0
80.05848	2.1
80.06347	1.3
81.07073	6.6
83.04949	1.7
85.02913	1.5
85.06534	2.1
86.09718	23.6
87.10048	5.2
87.33540	1.3
91.05486	5.6
91.05907	1.8
92.05811	1.9
93.07059	3.9
94.04207	2.3
95.04971	3.6
95.08618	1.7
98.23388	1.3
103.05481	2.7
105.07001	6.7
107.04958	3.6
107.08602	5.0
108.08955	2.1
109.06518	5.9
111.04469	1.8
115.05457	4.0
117.03390	2.9
117.07067	3.2
119.04998	1.6
119.08607	4.4
121.06532	2.4
121.10138	2.5
122.03646	8.5
125.06018	1.7
128.06223	2.6
129.07031	8.2
131.04924	3.8
131.08560	5.1
132.08913	4.7
132.10245	5.7
133.02853	4.3
133.10201	2.8
137.05983	100.0
138.06337	1.8
144.05728	2.4
145.02869	3.9
145.06482	3.4
145.10107	2.4
146.10426	1.3
147.04430	1.7
147.08076	3.8
149.06018	5.0
149.09624	5.7
150.10001	5.1
151.03873	4.4
151.07570	5.8
151.11229	1.9
155.04932	1.5
157.06468	4.8
160.05225	4.9
161.05971	6.1
163.07549	3.6
163.11266	2.3
164.11517	1.5
165.05487	3.8
167.07156	1.5
167.10654	6.4
168.11023	6.7
172.05190	1.8
174.06816	4.6
175.07552	27.7
175.08905	1.1
175.11000	1.8
176.08069	1.3
177.05460	12.9
177.09140	2.9
179.07005	3.4
179.08475	1.7
179.10770	1.5
182.15372	1.6
187.07547	17.3
189.07565	1.4
189.09076	8.2
191.08643	2.5
191.10687	3.2
192.09398	1.5
192.11044	5.2
196.05238	5.1
199.07587	3.6
202.07765	3.4
203.08597	13.5
205.06488	3.7
205.08400	2.0
207.08072	1.8
209.11647	3.0
209.31256	1.4
210.12097	4.1
210.14977	1.4
211.07584	15.2
213.05377	2.0
217.08607	6.7
219.08061	10.4
220.08839	5.8
221.09647	2.4
227.07025	3.9
231.08076	18.0
232.08733	5.6
233.06046	3.2
234.06741	2.4
236.08356	2.5
237.09044	2.5
239.07082	10.9
240.07755	5.3
241.04878	1.7
247.07555	8.0
248.08316	19.0
249.08965	4.0
250.09755	1.5
251.06966	1.6
251.10744	4.7
253.08528	1.7
253.12276	2.1
255.06572	5.7
256.07266	4.8
259.07529	7.7
260.08334	2.6
263.06857	2.3
263.10706	17.5
264.07736	2.2
265.08624	3.0
267.06638	1.3
268.07239	2.5
270.08969	8.1
271.09677	24.4
276.07840	9.9
277.08655	4.4
277.19952	3.5
278.05884	1.3
278.09103	1.5
279.10181	8.3
280.11130	1.8
281.11829	2.2
283.09735	4.9
291.10144	43.2
292.10660	6.1
293.08096	7.7
295.20975	1.7
296.10336	3.2
297.11148	3.0
303.01810	2.3
308.10468	4.0
311.12674	6.8
313.07071	1.4
323.12827	20.6
323.20490	4.0
325.10916	1.8
341.06693	8.2
341.13742	18.6
341.21191	1.9
359.00748	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	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.5
64.92436	1.7
65.03925	1.9
67.05530	1.7
69.13554	13.0
70.06612	3.0
71.05005	2.8
72.29734	1.6
73.04772	3.5
73.92326	1.8
74.97443	1.6
79.05500	6.7
79.39177	1.8
81.14137	1.9
85.66510	1.7
86.09731	2.6
89.03912	2.2
91.05441	5.6
91.05892	3.2
91.23015	1.5
93.07030	2.4
94.04210	3.6
95.04999	1.9
103.80557	1.7
107.05012	3.4
109.06502	2.9
111.16016	1.7
119.04956	5.2
120.05316	2.6
122.03635	8.2
128.06244	3.1
129.07001	13.5
131.04997	2.9
133.02875	2.7
137.05988	100.0
144.05711	3.8
145.06494	3.4
147.04428	12.7
148.04721	3.3
149.04958	4.7
149.05992	3.9
149.09756	2.1
151.03926	2.9
151.07558	5.6
153.05490	2.2
156.05701	2.1
157.06490	7.8
158.07205	2.5
161.09506	1.9
163.07596	2.0
172.05249	9.3
174.06764	18.3
175.07521	11.8
177.05502	6.7
187.07559	56.1
189.09134	21.5
191.06998	2.7
191.08578	4.3
199.07571	8.5
202.07848	5.5
203.08563	14.0
205.06500	2.9
208.08855	2.7
211.07559	6.5
217.08620	34.1
218.08995	2.2
219.08046	13.7
220.08820	5.6
221.06049	2.1
229.59435	1.9
231.08060	11.1
232.08783	3.6
233.09702	2.4
234.06805	2.6
235.07526	2.7
236.08331	3.9
237.09195	2.7
239.07062	5.4
240.07819	4.9
247.07541	11.8
248.08311	19.5
249.09024	3.8
250.06348	2.5
251.10768	6.2
253.08592	5.0
255.06494	3.2
259.07651	6.0
260.08356	2.9
261.09171	4.2
263.07706	2.9
263.10596	16.5
264.07922	6.3
265.08603	7.8
266.10040	2.0
268.07248	2.1
270.08923	6.4
271.09634	17.3
276.07870	10.0
277.08545	5.1
279.10089	19.0
280.10870	2.5
281.08194	4.6
281.11658	2.4
283.09821	2.7
291.10178	33.7
292.10715	4.8
293.08063	7.8
293.11435	2.8
296.10492	10.8
297.11157	3.4
308.10269	4.1
309.11441	2.2
311.12756	25.1
317.83795	2.0
323.12756	41.0
324.13019	3.4
341.06622	3.0
341.13641	12.7
359.02896	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	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01886	1.9
55.05504	1.4
63.90911	1.3
67.05500	1.8
69.03429	2.2
69.37971	6.6
70.06600	8.4
71.05006	3.0
72.34214	1.2
73.04746	2.8
79.05487	4.7
81.07060	4.6
82.77753	1.4
85.02949	1.8
86.09713	2.4
91.05444	3.1
93.07079	2.4
94.04194	4.9
95.08625	3.0
103.05444	2.8
105.07037	2.9
107.04910	1.7
107.08646	1.9
109.06549	3.0
111.04456	2.0
115.05485	2.9
117.03385	1.7
117.07055	3.1
119.04955	3.4
119.08590	1.6
121.06546	1.5
121.10171	1.4
122.03645	9.0
128.06227	3.0
129.06996	10.8
131.04959	2.0
131.08540	1.5
132.05737	1.6
133.02852	3.4
137.05983	100.0
138.06261	3.1
143.08519	1.5
144.05713	4.5
145.06483	2.1
147.04375	2.2
149.06018	3.8
151.03874	3.3
151.07556	3.9
153.01808	1.6
157.06474	8.5
158.07289	2.7
159.04442	1.8
160.05255	4.8
161.05994	5.6
162.06750	1.5
163.07542	1.7
165.05508	2.9
171.08101	2.1
172.05226	6.4
174.06770	14.3
175.07547	17.7
177.05455	2.9
177.09158	1.6
179.07001	2.7
181.76329	1.4
187.07549	43.2
188.08134	2.9
189.09116	17.1
190.07841	1.8
191.08577	4.3
196.05319	2.8
199.07603	4.7
202.07811	4.0
203.08572	17.9
205.06512	2.5
208.08778	1.8
211.07588	14.0
213.05493	1.9
217.08623	23.2
219.08032	11.9
220.08778	7.3
221.09564	2.2
225.05515	1.7
225.09253	1.8
227.07085	7.3
231.08043	16.8
232.08760	3.3
233.05995	2.8
233.09557	2.6
234.06773	2.3
235.07466	2.9
236.08347	2.9
237.09091	5.1
239.07008	8.3
240.07884	6.9
243.17065	3.6
247.07484	9.2
248.08356	22.9
249.09044	4.3
250.06343	2.4
251.10603	7.9
253.08553	2.5
255.06508	6.6
255.12740	1.4
256.07278	4.7
259.07547	6.7
260.08386	3.3
261.09128	4.7
263.06863	1.4
263.07785	1.7
263.10678	18.9
264.07974	3.9
265.08511	7.0
266.09085	2.1
268.07294	3.4
270.08881	10.6
271.09647	22.7
272.10013	1.7
276.07861	13.1
277.08542	8.0
279.10214	17.9
280.10846	2.5
281.08176	3.3
281.11472	1.9
283.09723	6.1
285.49765	1.6
291.10159	44.6
292.10745	6.5
293.08115	9.5
293.11060	1.7
296.10464	9.6
297.11188	3.1
299.87717	1.5
304.12112	1.4
307.09772	1.8
308.10406	4.4
309.11227	4.3
311.12796	16.7
323.12747	33.4
323.16504	1.7
341.14078	15.7
341.19427	2.0
342.23331	1.4
359.02872	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	341.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	4.7
71.28188	3.2
73.02934	2.2
73.04746	3.3
82.15654	2.1
93.07065	5.6
98.98452	2.5
103.05476	3.0
104.36777	1.8
109.07665	2.4
121.06509	100.0
122.06879	3.6
138.09171	19.4
144.40105	2.2
147.04459	2.7
151.73198	2.1
186.07565	6.7
342.20395	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	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
55.05516	11.2
57.03431	1.7
57.07072	5.0
61.57566	1.1
65.03947	1.5
67.05506	20.0
69.03430	5.3
69.07072	7.9
71.05003	3.9
71.08636	15.0
71.29242	1.3
76.78396	1.2
79.05489	13.5
81.07055	16.6
81.94359	1.1
83.04998	6.2
83.08626	2.6
85.06526	1.9
91.05473	14.3
93.07048	22.4
95.04971	10.1
95.08606	15.1
96.05769	3.8
96.64333	1.1
97.02892	15.6
97.06533	7.2
99.08104	6.7
105.07026	10.8
107.04988	1.9
107.08602	6.1
107.15427	1.1
109.06525	7.9
109.10139	6.0
110.07257	1.3
111.04446	20.6
111.08096	1.2
111.11788	1.0
113.06016	5.9
117.07043	1.4
119.08597	5.2
121.06511	13.3
121.10143	14.2
123.04445	7.1
123.08089	6.1
123.11725	2.8
124.05251	3.6
125.06003	3.2
125.09660	1.7
129.07025	2.0
131.08575	14.2
133.10135	2.2
135.08066	3.8
137.05981	3.1
137.09628	3.3
139.11179	3.4
143.08566	3.8
145.10187	2.0
147.08075	1.4
147.11731	1.4
149.02321	9.7
149.09639	12.4
157.10213	1.6
159.11673	1.3
161.13271	3.0
163.11174	3.5
165.12778	10.6
167.10681	3.4
168.11426	1.9
171.11719	1.8
180.11533	1.2
181.12234	100.0
182.12633	4.3
189.12729	2.4
191.14377	2.0
193.04980	3.7
193.12242	1.5
199.11162	1.5
207.13795	2.4
253.14410	1.6
277.21722	1.3
305.21140	9.6
307.22705	3.0
313.07260	1.4
323.22134	2.3
341.06656	2.8
341.20956	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	342.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.0
57.07081	30.8
61.02926	2.3
69.03423	5.9
69.58987	4.7
70.06588	4.7
71.05000	1.3
73.02931	2.6
74.09721	100.0
80.77090	1.1
81.03432	3.5
82.03750	1.6
83.04974	2.5
84.08140	2.5
85.02907	16.2
87.04454	1.6
88.95343	0.9
91.03952	1.5
91.05843	1.1
91.63062	0.9
93.07034	2.0
97.02885	4.1
98.98458	3.5
99.04444	7.0
103.05473	1.2
109.02872	1.9
109.07639	2.5
110.03232	1.7
110.07145	2.6
117.05523	6.9
121.06512	38.6
122.06814	1.8
127.03924	12.1
138.09140	11.3
145.04956	9.6
163.06000	8.3
180.08762	3.3
203.76111	1.0
211.07225	1.6
227.04871	1.1
242.37511	1.1
272.10638	1.1
283.48285	1.1
310.17511	1.1
311.35950	1.1
342.19968	2.2
360.02924	2.0
362.70346	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	342.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.2
58.31396	0.2
63.02389	0.5
65.03941	0.3
67.05499	0.3
71.30831	0.3
78.04728	0.4
79.05450	0.2
81.07066	0.3
89.03919	10.0
90.04239	0.3
91.05486	0.8
93.07034	0.3
95.04976	0.3
103.05453	0.4
105.34051	0.2
106.04189	0.8
107.04945	1.9
107.08559	0.2
108.05297	0.9
115.05466	1.7
117.03385	29.2
118.03703	1.1
119.04948	0.4
121.06492	0.7
122.03730	0.3
134.03650	2.1
135.04430	1.6
137.05978	1.5
143.04930	1.2
145.02852	61.8
146.03177	1.8
149.05980	9.3
150.06323	0.3
150.26346	0.2
151.03917	1.0
151.07530	0.3
153.05518	0.4
158.06017	0.2
160.04015	0.3
160.05217	2.1
161.05902	0.3
162.03183	0.4
163.03923	0.6
166.08609	0.3
175.07561	6.9
176.07835	0.3
177.05475	100.0
178.05824	3.9
181.04935	0.3
186.05489	1.1
191.03316	0.3
192.06612	0.5
206.08182	0.5
218.08130	6.0
219.08388	0.4
236.06371	0.2
250.06084	0.2
293.08051	0.3
297.11154	0.2
301.59137	0.2
311.09134	0.3
325.10464	0.2
342.13394	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
61.02926	1.7
69.03439	3.7
71.08633	8.0
74.66176	1.8
79.05498	2.6
81.07052	14.3
82.02926	2.3
85.02902	15.1
85.06564	1.9
89.44964	1.6
97.02911	4.2
98.22795	10.7
99.08100	22.8
102.05527	2.5
109.06532	18.5
110.11958	1.7
111.05591	10.4
116.10668	1.7
117.09140	100.0
118.09475	3.5
120.59786	1.6
125.07104	2.3
126.05499	1.9
127.03910	2.1
127.06613	2.5
127.07568	42.8
139.05040	13.6
150.09218	2.3
151.03925	1.9
153.06566	3.0
163.09657	23.9
167.11780	5.5
179.03435	4.8
180.03796	3.2
188.07227	1.7
193.92935	2.0
195.11334	40.9
324.15430	10.4
327.26019	1.8
336.88834	1.8
343.13672	2.5
348.58725	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35947	2.8
53.58934	2.8
55.05507	7.6
65.42825	2.9
67.05515	11.5
69.03423	3.6
69.07070	12.3
69.85931	2.8
70.03413	10.2
70.06602	3.6
71.04996	15.0
77.86388	2.7
79.05499	13.4
81.03436	3.9
81.07067	18.9
83.04987	4.0
85.02934	5.2
86.09707	100.0
91.05464	31.9
93.07052	9.1
95.04989	4.2
95.08600	5.2
100.11269	14.2
105.07039	29.7
107.04958	3.6
107.08595	9.5
107.09351	3.0
109.06516	4.0
114.09195	6.0
117.07065	3.4
119.08553	17.2
121.06532	3.8
121.10162	3.7
123.08047	3.3
125.05975	4.2
129.07004	4.0
131.08496	4.3
132.10211	53.9
133.06502	6.6
133.10106	24.7
137.06000	6.1
138.06274	3.9
142.08681	6.1
143.26274	2.6
147.08017	7.3
147.11691	19.4
149.09648	6.8
151.11189	3.9
158.54047	3.1
163.03893	4.1
163.11200	4.0
175.11177	24.4
177.05557	3.2
184.17088	3.6
192.13986	3.6
193.12242	23.0
212.14230	3.0
227.13896	2.9
254.17502	12.5
260.20087	5.8
278.21194	11.0
294.20657	4.4
306.20688	7.7
324.21713	18.7
325.14133	3.5
342.27402	6.3
343.17371	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82909	12.8
54.98760	11.8
55.05504	15.5
67.05497	14.0
68.98599	15.5
69.07057	14.4
70.40216	13.6
70.54393	23.8
71.04979	12.6
79.05496	24.9
81.07060	50.5
89.42338	13.0
91.05499	22.9
95.04942	13.3
95.08600	32.5
99.76200	12.9
105.07034	100.0
107.08585	20.4
109.06524	12.5
119.08569	23.6
121.06515	16.5
121.10136	14.1
123.08115	20.0
123.11735	13.9
131.08479	19.4
133.10130	20.2
137.09619	15.8
165.09132	41.0
244.60852	13.8
254.15535	29.9
270.14975	15.7
275.20132	53.5
286.17969	16.5
307.22760	23.9
322.08969	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.9
55.01888	14.7
55.05508	55.7
57.03457	10.1
58.39560	9.3
60.04522	13.7
67.05515	39.9
69.07074	81.9
69.26499	56.7
79.05502	32.6
81.07074	41.8
83.08622	25.1
88.07639	9.5
91.05492	35.3
93.07054	39.9
95.05006	11.8
95.08604	44.7
97.06557	31.7
97.10162	57.9
102.69473	8.9
105.07051	34.9
107.08598	100.0
109.06528	14.6
109.10172	10.5
119.08616	21.1
121.06521	9.6
125.09632	61.9
129.06961	9.1
130.28394	9.2
131.08536	8.4
133.10158	27.4
135.08049	26.2
135.11746	17.8
145.10130	42.8
149.09668	27.1
151.07518	10.4
153.09120	9.8
161.13246	14.0
163.11183	25.4
173.13229	14.7
203.12781	54.5
220.86703	10.0
233.86780	9.0
236.77208	9.9
239.18019	9.3
257.19049	28.9
275.20096	60.0
289.21719	24.9
299.99460	9.3
307.22586	17.0
343.22754	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	343.1541
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
51.18032	1.2
51.74216	1.4
53.03947	2.5
57.03444	1.5
67.05523	1.4
68.35154	1.2
69.03435	2.8
69.07094	1.5
70.06597	6.0
71.06921	1.3
71.27827	1.2
79.05495	6.9
80.05054	1.4
81.07065	5.0
85.02898	1.6
86.09724	1.9
89.03922	8.3
91.05486	19.8
93.07071	2.6
94.77776	1.2
95.04990	3.7
95.08599	1.4
99.08031	1.1
102.04712	2.9
103.05474	14.4
105.07041	9.3
106.04196	2.6
107.04963	19.2
109.06528	1.6
115.05430	8.0
116.01701	2.3
117.03387	26.3
117.07048	3.7
119.04930	7.7
121.06480	5.9
122.03680	3.7
122.07285	4.4
123.08086	1.8
129.06981	1.8
130.04178	4.2
131.04933	13.1
133.06506	4.5
135.04414	1.7
135.08078	4.2
136.05174	1.4
137.05978	55.2
138.06317	1.5
141.07048	2.8
142.03238	4.9
145.02855	58.3
145.06494	3.1
146.03639	7.0
147.04422	8.4
147.08098	2.1
149.05997	13.0
151.03951	2.8
151.07556	13.2
153.05377	1.3
160.05223	2.8
161.05989	40.4
162.02164	2.3
162.06770	13.3
163.07555	25.6
164.07808	1.6
166.07672	1.5
169.06477	3.2
170.02812	2.2
173.09647	1.7
174.06810	2.1
175.07562	36.5
176.07982	2.0
177.05482	100.0
177.08908	6.0
179.08582	2.5
181.06552	2.2
181.08578	6.2
181.12190	2.1
189.09149	1.6
190.04997	4.9
190.07805	2.7
194.07277	2.8
195.08078	1.8
197.09726	1.4
201.09099	5.3
205.06502	3.5
205.10219	3.5
207.08073	3.4
208.09062	1.3
209.09648	2.8
211.07542	1.8
218.07333	3.9
219.08171	2.2
219.10179	8.7
221.09662	1.6
222.06766	4.6
223.07617	2.7
224.08392	3.0
233.06076	2.2
233.09650	10.3
234.10225	2.3
235.07603	4.2
236.08232	3.0
237.09058	8.1
237.12859	2.1
239.07021	2.2
239.10788	3.0
249.09114	2.2
250.06323	3.3
250.09932	3.4
251.06969	2.0
252.07800	3.2
253.08551	1.9
254.09460	3.1
261.09174	5.3
263.07074	2.1
264.07837	2.0
265.08621	14.5
265.12234	4.7
266.09259	2.2
267.10083	5.9
268.10651	1.3
269.08102	5.6
269.11646	1.8
278.09372	3.3
279.10031	2.2
281.08069	2.0
282.08875	4.9
283.09879	1.7
283.13229	1.7
284.10425	4.0
293.11752	11.6
294.12354	2.1
295.09641	3.0
297.11322	22.0
297.14777	3.0
299.12793	25.8
300.13144	2.9
310.11951	3.2
311.12775	59.6
312.13089	5.0
313.14386	1.9
315.15903	1.7
325.14337	16.6
339.75427	1.4
343.15552	20.0
344.15341	3.6
364.48947	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.05522	15.5
57.07077	10.5
59.05054	5.1
67.05505	30.8
69.03423	12.2
69.07056	6.4
71.04999	20.0
71.30111	6.8
76.60127	6.3
79.05499	19.5
81.07059	35.9
83.05008	6.2
91.05486	35.3
93.07042	74.9
94.57459	6.0
95.04057	6.5
95.04975	52.0
95.08614	91.8
97.06538	11.3
105.07040	77.5
107.08604	59.5
109.06531	13.8
117.07013	28.2
119.08584	19.5
121.06538	16.2
121.10149	14.2
123.08085	25.7
129.06993	7.9
130.07774	19.1
133.06503	6.6
133.10159	18.1
135.08081	24.2
135.11708	16.5
137.05919	6.4
143.08649	12.3
145.10130	100.0
147.08075	12.2
151.07588	63.0
152.75760	6.1
153.09230	5.7
157.10121	7.9
161.09642	11.5
163.11206	69.5
165.09146	25.1
171.11673	10.1
173.09628	6.3
177.09161	11.4
181.12247	5.8
187.11288	8.7
189.12758	10.0
203.14337	8.1
221.15433	25.5
240.23238	28.2
241.15924	6.2
263.16574	8.5
325.21704	14.1
343.22684	90.7
344.23129	7.3
344.31351	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	7.5
55.01866	8.5
55.05515	22.5
55.87595	2.2
57.03447	12.0
57.07088	13.7
59.05002	6.5
66.14313	2.1
67.05510	32.2
69.03429	13.4
69.07067	7.1
71.04999	24.6
75.49493	2.2
77.03907	2.3
79.05500	32.3
81.03421	4.6
81.07069	36.1
83.04979	6.6
85.06535	5.7
91.05484	51.4
92.80715	2.2
93.07050	77.6
95.04972	66.3
95.05563	4.3
95.08615	100.0
96.05303	2.7
96.36914	2.2
97.06548	24.4
98.22530	3.7
100.28176	2.2
103.05475	4.8
105.04485	3.3
105.07037	90.2
106.03778	2.6
107.04993	5.5
107.08598	68.4
107.66722	2.6
109.06519	19.8
109.10146	4.3
115.05465	8.6
117.07021	35.7
119.08586	31.4
121.06536	20.3
121.10151	24.1
122.07312	3.1
123.08076	32.3
128.06248	6.7
129.07010	8.2
130.07808	22.6
131.08563	9.4
133.06474	6.9
133.10141	18.0
135.08061	26.8
135.11717	15.9
137.05989	3.8
137.09612	8.6
142.07852	4.1
143.08569	12.6
144.09395	3.6
145.10133	91.9
146.10558	4.0
147.08072	16.7
147.11707	4.3
149.09613	6.0
151.07550	59.5
151.11282	2.2
153.09111	4.2
155.08617	3.8
157.10168	8.3
159.11708	7.9
160.08870	2.1
161.09657	7.6
161.13278	4.5
163.07513	3.2
163.11188	77.3
165.09116	22.4
165.82722	2.2
169.10223	4.8
171.11667	4.1
173.09686	2.9
173.13286	3.0
175.11180	5.2
177.09119	6.9
179.07068	5.4
180.09489	2.6
181.10175	5.0
181.32663	2.8
183.11690	4.5
185.13176	2.6
187.11162	8.0
189.12759	13.7
195.11723	3.2
197.13298	6.3
201.12892	3.2
203.14281	10.7
207.10123	5.1
207.13809	10.5
209.13397	4.4
209.15428	5.6
217.12276	2.8
218.74112	2.1
221.15370	33.1
229.06718	2.6
243.13905	2.5
263.16446	7.5
263.78040	2.3
269.15259	3.2
286.19385	3.9
287.20398	2.4
325.21582	8.9
343.22687	67.7
344.23068	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.57797	2.8
53.03947	9.4
55.01875	8.6
55.05514	18.2
57.03431	7.9
57.07080	11.0
59.04993	8.1
67.05511	30.4
69.03445	10.8
69.07080	8.9
69.30352	2.6
70.53163	4.2
70.53503	4.8
71.05001	26.7
79.05489	27.9
81.03434	7.4
81.07072	30.6
83.04975	5.0
85.06570	5.5
91.05493	44.0
93.07049	84.0
95.04980	61.8
95.08613	100.0
97.06530	17.6
103.05458	3.2
105.07036	94.3
107.05006	5.0
107.08600	62.4
109.06539	18.7
109.10148	6.4
115.05480	7.6
117.07024	31.5
119.08585	31.7
121.06504	12.3
121.10162	18.3
123.08092	33.2
128.06256	5.5
129.06177	3.5
129.07053	7.6
130.07797	16.2
131.08559	10.8
133.06506	4.4
133.10106	17.7
135.08070	21.9
135.11713	13.7
137.09592	5.1
142.07788	4.5
143.08601	10.5
145.10132	87.5
146.10529	5.4
147.08070	18.9
147.11656	3.7
149.09683	9.6
151.07561	48.3
153.09174	5.0
157.10156	11.1
159.08124	2.9
159.11761	6.0
161.09627	9.3
161.13289	4.4
163.11185	70.0
165.09128	16.4
169.10089	4.0
171.11740	5.8
173.09631	8.4
175.11258	4.0
177.09099	8.2
187.11221	5.6
189.12779	9.2
193.10275	2.9
195.11768	4.1
200.72290	2.9
201.12822	3.2
203.14372	9.1
207.10173	3.7
207.13870	7.4
221.13458	5.7
221.15363	33.1
225.12917	3.0
241.15810	3.3
245.15372	3.0
263.16489	7.6
269.15372	4.1
286.19269	3.9
325.21640	11.7
343.22656	68.3
344.23016	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03432	1.5
61.02924	1.3
63.90950	0.6
64.44141	0.5
65.03947	0.6
69.03433	3.7
69.19749	3.6
71.04974	0.5
73.02900	0.8
81.03427	1.1
85.02908	17.1
91.03931	0.7
91.05479	5.7
95.04983	0.6
97.02891	3.9
98.22659	1.2
99.04445	1.1
109.02866	1.4
119.04089	1.1
119.04945	17.3
120.05257	1.0
123.04447	1.7
127.03925	2.8
145.04987	3.5
147.04413	100.0
148.04729	2.7
158.20401	0.5
165.05479	52.9
166.05806	2.1
180.08696	1.3
182.07997	0.6
199.52325	0.4
208.02901	0.6
247.67285	0.6
303.74396	0.5
309.09976	0.5
338.28278	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16991	8.3
55.05518	9.9
57.78379	7.4
58.99580	12.1
69.03432	37.9
69.50055	11.2
69.50392	40.0
70.06599	79.4
72.08170	9.0
75.99490	6.8
76.02251	11.1
79.05496	18.8
85.02908	27.5
86.09715	12.3
91.05466	42.3
101.74484	8.5
103.05456	16.7
107.04993	13.7
107.08599	19.8
119.04945	17.1
119.07349	12.6
122.02747	40.7
125.09640	16.3
133.08618	10.4
136.07559	80.3
137.09650	23.6
147.04411	100.0
149.06023	14.6
151.11171	15.3
165.05511	37.0
177.12714	14.9
182.08051	42.1
205.12270	27.6
223.13319	12.3
227.10930	9.4
231.13455	24.8
255.10417	60.6
319.60110	11.4
321.99701	8.3
344.09766	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01876	0.5
57.03431	1.5
60.88875	0.5
61.02922	1.4
65.03935	0.5
69.03430	4.1
69.78876	1.4
77.30892	0.4
77.81951	0.4
81.03419	1.1
82.09875	0.5
85.02908	17.7
86.09717	0.8
91.03966	0.7
91.05489	5.5
97.02901	4.1
99.04451	0.9
109.02867	1.2
119.04946	16.9
120.08101	3.2
123.04427	2.2
127.03951	2.6
128.70877	0.4
145.04953	3.1
147.04410	100.0
148.04741	3.4
165.05482	47.1
166.05846	1.2
166.08603	0.7
180.08679	1.3
228.97781	0.4
271.64267	0.5
283.20807	0.5
298.12866	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	344.1494
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
50.01608	0.2
51.10345	0.2
51.22652	0.2
56.89858	0.1
58.39137	0.2
63.02389	0.5
63.63724	0.1
65.03945	0.4
65.42529	0.2
70.03033	0.4
76.30172	0.2
78.04703	0.4
79.05513	0.2
89.03917	7.4
90.04262	0.3
91.05485	8.5
95.04964	1.1
103.05520	0.3
106.04149	0.5
117.03381	25.9
118.03704	0.8
119.04946	5.1
120.05283	0.2
121.06529	0.3
123.08006	0.2
124.05199	0.2
129.04449	0.2
134.03647	1.6
135.04431	1.1
136.05257	0.9
137.05931	0.3
145.02846	56.8
146.03189	1.8
149.05980	7.6
150.06253	0.2
151.07541	7.5
152.07816	0.3
158.06075	0.2
161.19876	0.2
162.03120	0.2
163.03876	0.5
177.05469	100.0
178.05821	3.7
186.05505	0.7
187.86539	0.2
194.08128	0.2
195.93477	0.2
204.92436	0.1
344.14957	1.7
345.10699	0.2
345.14996	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	344.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
63.02368	0.3
65.03941	0.4
69.17853	0.9
69.18267	0.4
71.04982	0.2
78.04723	0.3
81.07010	0.2
82.90927	0.2
84.04500	0.5
89.03920	7.9
91.05481	8.2
91.79167	0.2
95.04968	1.0
98.22646	0.3
103.05458	0.5
105.07043	0.3
106.04186	0.4
117.03379	25.8
118.03727	0.8
119.04948	4.4
123.04415	0.2
130.04994	0.7
134.03644	1.5
135.04436	1.4
136.05206	0.9
137.02347	0.2
145.02844	56.6
146.03181	2.0
149.05988	7.7
150.06313	0.4
151.07539	6.7
158.05971	0.2
162.03078	0.3
163.03859	0.7
177.05466	100.0
178.05811	4.0
184.27226	0.2
184.72884	0.2
186.05447	0.7
188.29889	0.2
245.13196	0.2
284.06802	0.4
303.05005	0.8
315.05072	0.2
344.14838	1.0
345.06396	1.1
345.09027	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	344.1493
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
53.03939	0.2
58.30005	0.2
63.02384	0.3
65.03942	0.4
78.04697	0.4
79.05527	0.3
89.03914	8.0
91.05484	8.5
92.05820	0.4
93.07052	0.3
95.04986	1.3
100.44274	0.2
103.05466	0.5
105.09941	0.2
106.04179	0.7
107.04975	0.3
117.03380	25.4
118.03716	0.7
119.04941	4.6
121.06524	0.5
130.32262	0.2
134.03639	1.9
135.04405	1.4
136.05199	0.8
137.05969	0.7
145.02844	57.7
146.03204	2.1
149.05978	7.9
150.06352	0.4
151.07545	6.8
151.67076	0.2
163.03896	0.6
177.05467	100.0
178.05833	3.4
181.21329	0.2
186.05527	0.6
229.67165	0.2
312.12766	0.3
344.14594	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	344.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30586	0.7
55.05510	0.9
58.06585	2.0
64.88817	0.8
68.05027	12.7
69.03423	1.0
70.06590	14.1
71.29369	1.0
72.08164	16.7
79.01850	3.1
83.04984	1.1
84.04496	1.0
84.08137	1.1
85.02937	0.7
86.06071	100.0
86.09710	3.7
87.06432	0.9
97.02859	1.0
107.01356	1.0
107.04962	1.8
110.07178	1.5
114.09173	6.0
125.02353	2.2
129.10252	1.6
137.05931	1.2
143.03452	1.6
153.01836	44.1
153.02931	2.8
157.09776	2.3
167.03394	1.6
170.09273	1.1
183.06326	1.0
185.09282	2.0
203.10274	82.6
204.10724	1.1
213.08733	1.2
214.05945	0.8
229.15459	1.7
233.65572	0.9
280.68866	0.7
300.20566	1.1
344.11282	3.2
345.15240	3.2
345.22546	0.9
352.38599	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	344.2543
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.05519	3.7
56.05040	0.6
57.05806	0.6
67.19371	0.5
67.91325	0.5
69.03437	1.4
69.07072	5.6
70.06605	3.8
70.54302	1.1
70.54665	0.6
72.08158	44.5
73.08489	0.8
76.51422	0.5
80.41297	0.5
86.09708	100.0
87.10037	2.0
105.06995	0.7
111.08141	0.7
113.93843	0.5
122.02747	0.6
124.33993	0.5
132.10213	1.8
137.02391	1.0
137.09613	0.6
143.40263	0.5
155.33714	0.5
167.06987	0.7
168.70744	0.5
171.11261	0.6
184.10480	0.5
185.16499	39.0
186.16878	1.9
196.13541	0.5
199.18083	1.7
213.15967	17.7
213.17973	0.9
214.16299	1.0
223.13322	0.8
231.17032	6.0
245.18684	0.9
302.03998	1.2
316.05933	1.0
345.06036	6.2
345.09741	1.0
351.09509	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.2
55.17257	12.7
57.07084	14.9
67.05503	24.5
69.07057	23.8
69.60578	48.6
71.08648	22.2
74.06087	13.9
79.05503	27.2
81.07053	48.8
88.07632	45.5
91.05504	19.8
91.72813	12.4
92.90904	12.7
93.07030	27.0
95.08619	16.2
97.99871	12.8
99.43726	15.5
100.11285	35.6
149.13272	26.8
157.93236	14.5
212.76259	15.0
277.21701	23.4
344.31464	60.6
344.37845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.07082	7.0
60.04549	0.5
61.20590	0.5
62.10036	0.5
67.05508	1.6
68.05032	0.6
69.07082	1.1
70.06596	29.0
71.08633	3.6
81.07062	2.2
83.08615	1.0
85.10183	2.1
88.07637	100.0
89.07979	1.3
93.07047	1.3
95.04990	0.6
95.08604	2.8
105.07031	0.8
106.08673	25.7
109.10169	1.3
283.26337	31.4
284.26688	2.3
344.31619	33.2
344.35196	2.3
345.31943	2.1
366.16016	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	345.0606
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
56.81329	0.3
69.36540	1.8
77.52699	0.3
77.65881	0.3
85.02934	0.2
89.03916	0.8
91.05473	1.4
92.05812	0.6
93.51891	0.3
95.05002	0.4
95.08646	0.3
100.50185	0.3
106.60629	0.3
115.05450	0.4
117.03387	2.0
117.06992	0.5
118.03721	1.2
119.04939	0.7
121.02897	0.7
121.06472	0.3
124.05187	0.4
131.04919	0.8
135.04463	0.5
137.02361	1.2
137.05980	0.4
145.02843	3.7
145.06500	0.8
146.03194	3.5
147.04436	0.8
149.05991	0.7
149.28040	0.3
150.06355	0.4
151.03944	1.4
151.07620	0.3
152.07875	0.6
153.01933	0.3
157.06519	0.9
158.03694	0.4
163.03990	0.3
167.03401	0.7
169.06526	0.4
171.04590	0.6
173.06013	0.9
175.03789	0.6
177.05484	7.3
178.02609	0.4
178.05838	7.1
181.06508	0.6
185.06006	2.1
186.03131	1.4
187.03954	0.8
189.05418	0.6
196.05211	3.6
197.05968	1.0
198.03116	0.4
198.06712	0.4
199.03935	1.2
200.04727	0.4
201.05504	2.5
202.05981	0.5
203.03418	1.9
203.07071	0.3
213.02081	0.4
213.05501	5.7
214.02603	1.5
215.03394	1.7
216.04193	0.9
217.04967	1.9
218.79343	0.3
224.04681	2.1
225.01945	0.5
225.05482	2.8
226.02681	0.3
226.06290	0.6
227.03352	0.7
227.06944	1.4
228.04140	0.8
228.07762	0.4
229.04935	2.4
230.05621	0.5
231.02919	3.1
231.06531	1.4
241.01363	1.6
241.04979	11.9
242.02129	4.2
242.05498	0.8
243.02831	0.8
244.03775	1.5
245.04518	0.4
246.05142	0.4
252.04256	0.8
253.04974	2.6
254.05690	0.4
255.06538	1.1
256.03662	0.8
256.07211	0.6
257.04385	1.1
258.05267	0.9
259.02451	3.4
259.05984	2.4
267.06580	0.8
268.03491	0.5
269.00842	2.0
269.04453	4.2
270.01544	2.7
270.04269	0.5
271.02390	2.1
271.05688	0.5
272.03064	1.9
273.03915	0.4
274.04745	0.5
283.05994	1.3
284.06812	42.7
285.03922	8.5
285.07175	2.8
286.01416	0.5
286.04651	2.1
287.01892	6.0
287.05521	8.8
288.02441	0.5
288.05911	0.7
295.06039	0.7
296.03149	1.2
297.00296	1.1
297.03915	1.7
298.04507	0.4
299.01889	4.1
299.05524	3.7
300.02606	1.7
300.06238	1.3
301.03387	1.5
301.07059	3.7
302.04236	0.8
302.07950	0.3
311.05533	7.4
312.02652	1.4
312.06232	12.0
313.03522	19.5
313.07034	4.1
314.04144	7.2
314.07449	0.3
315.01334	15.0
315.05002	13.3
316.01819	1.7
316.05716	3.2
325.14273	0.3
329.02850	2.0
329.06488	9.5
330.03680	21.0
330.07385	14.6
331.04114	1.8
331.07492	0.6
345.05981	65.7
345.09735	100.0
346.06326	4.6
346.10083	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	345.0815
Annotation	Theogallin
Peak:m/z	Relative Intensity
51.02385	0.6
55.67693	0.3
59.87315	0.3
67.05487	0.5
69.03410	0.9
70.06586	1.6
71.07641	0.7
72.08158	3.1
73.56966	0.4
76.98553	0.4
79.01855	5.5
81.03407	0.8
83.04984	1.2
84.08138	1.7
85.02933	0.5
86.06072	1.4
86.09702	2.6
93.03420	0.5
95.04950	0.5
96.36260	0.4
97.02896	1.1
107.01311	2.0
109.02881	1.5
111.04433	1.1
111.57434	0.4
113.56660	0.3
121.06564	0.4
125.02348	2.7
127.03933	2.0
129.05455	0.4
129.10243	1.8
143.03404	5.5
144.10229	0.4
153.01833	100.0
153.02899	5.7
154.02156	2.8
171.02914	1.9
171.14946	0.8
185.16469	0.6
213.16071	0.5
303.68109	0.5
327.07132	0.5
345.22516	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	345.0968
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
58.15844	0.2
69.12678	2.5
74.62083	0.3
89.03922	0.6
91.05503	0.5
103.05489	0.3
117.03384	1.3
118.03713	0.6
121.02888	0.4
137.02324	0.7
137.05968	0.4
145.02872	2.1
145.46706	0.3
146.03175	1.9
149.02289	0.3
151.03920	0.9
151.07518	0.6
153.01929	0.3
157.06471	0.4
167.03435	0.5
173.06033	0.3
177.05502	3.2
178.05797	3.6
185.05995	2.0
187.03853	0.5
196.05183	3.1
197.06006	0.6
199.07501	0.4
201.05540	0.7
203.03415	0.5
204.21442	0.3
213.05461	4.9
214.02652	0.4
215.03639	0.3
216.04253	0.4
217.04953	1.4
224.04713	2.0
225.05426	2.5
226.06015	0.5
227.06993	1.2
229.04991	0.9
231.02953	0.5
231.06534	1.2
239.07002	0.7
241.04953	10.4
242.02075	0.5
242.05434	0.7
244.03787	1.1
252.04155	0.6
253.05022	2.5
255.06537	0.6
256.07230	0.8
257.04504	0.5
258.05222	0.5
259.02444	0.7
259.06064	2.2
267.06580	0.5
269.01431	0.4
269.04382	4.0
269.07028	0.5
270.04797	0.3
271.02390	0.3
272.03229	1.6
281.04538	0.6
283.06049	0.8
284.06787	36.1
285.04001	1.5
285.07190	2.4
286.04715	1.6
287.01944	1.0
287.05450	7.7
288.05954	0.6
295.06058	0.4
296.03207	0.8
297.03879	1.7
298.04660	0.4
299.02060	0.6
299.05469	2.3
300.02667	1.1
300.06223	1.1
301.03326	0.7
301.06912	3.5
311.05457	5.6
312.06250	11.8
313.03354	3.3
313.07013	4.2
314.04120	2.1
314.07327	0.4
315.01364	2.4
315.04971	10.8
316.02368	0.5
316.05539	2.3
329.03110	0.4
329.06549	8.5
330.03629	3.6
330.07315	13.2
331.07690	1.1
345.05988	10.9
345.09686	100.0
346.06396	0.5
346.10059	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	345.097
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
61.32587	0.3
61.69833	0.3
66.92027	0.3
91.77069	0.3
98.22554	0.6
129.06995	0.7
137.02348	1.8
141.06973	0.5
151.03922	0.7
152.06204	0.3
153.06905	0.3
157.06505	1.0
163.03943	0.6
167.03416	0.4
167.04901	0.5
169.06302	0.3
170.07346	0.3
171.08066	0.9
172.08839	0.6
181.06459	0.4
182.07156	0.7
185.05971	2.4
191.07071	0.5
197.06041	1.1
198.06815	0.5
199.07553	1.8
200.08348	3.5
203.03416	2.3
207.02921	0.3
209.06021	0.7
210.06712	1.9
211.07539	0.6
213.05467	5.0
214.05972	0.4
225.05487	0.6
226.06216	0.9
227.07036	4.7
228.07857	1.6
237.05469	0.3
238.06229	1.7
239.06999	2.2
241.04967	2.5
255.06531	2.3
256.07297	4.3
257.04385	0.7
257.07773	0.3
267.06512	1.9
269.04385	1.5
271.06287	0.4
283.05981	2.1
284.06799	34.1
285.07126	2.1
286.04730	0.4
287.05463	1.6
295.06021	0.8
299.05548	4.1
299.08984	0.5
300.06186	1.6
301.07050	5.5
302.07635	0.9
311.05508	5.8
312.06287	12.8
313.06964	2.6
313.10718	0.7
315.04993	0.7
316.05783	3.0
327.04935	0.6
329.06564	14.7
330.07278	7.7
331.07639	0.7
345.09702	100.0
346.10037	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	345.0969
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
58.01280	0.3
69.77916	1.1
81.07023	0.4
84.36272	0.3
92.82319	0.2
95.01324	0.5
95.04955	0.3
98.23338	0.4
104.99249	0.5
109.02836	1.0
111.06220	0.3
121.02844	0.6
124.05182	1.3
134.03613	0.5
141.22743	0.3
142.74701	0.3
151.03929	3.9
151.05075	0.5
164.04666	0.4
167.03369	2.7
175.07442	0.4
185.05925	0.3
199.03900	0.6
203.07025	1.5
212.04520	0.3
213.05533	0.9
216.04189	0.8
217.04926	0.6
227.03401	0.7
231.06526	7.5
232.06819	0.6
241.04965	1.2
242.05682	0.7
243.06458	1.0
244.03746	0.6
244.07385	0.7
245.04539	0.5
255.06529	0.5
257.04495	0.3
257.08014	0.4
258.05231	0.6
259.06039	13.7
260.06342	0.8
269.04431	0.8
270.05026	0.4
271.05988	1.4
272.03186	0.8
272.06625	1.0
273.07541	0.7
281.36792	0.3
283.06018	0.8
284.06641	0.7
285.07510	0.7
286.04718	1.2
287.05505	18.9
288.05923	1.4
299.05518	1.1
300.06259	0.6
301.07080	6.5
302.07788	3.3
313.07056	0.6
314.04208	3.7
315.04984	17.5
316.05423	1.6
327.08591	0.3
329.06564	21.7
330.07336	72.2
331.07690	5.0
345.09702	100.0
346.05978	0.5
346.10062	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	345.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48922	0.4
58.52726	0.4
60.10710	0.4
62.44492	0.4
64.54353	0.4
69.74699	1.6
72.71808	0.4
82.02842	0.4
86.09694	0.5
91.05518	0.4
93.07035	0.5
119.01913	1.1
121.06535	2.5
126.20477	0.4
137.05960	1.2
151.03957	0.8
159.02985	0.4
164.07101	0.8
167.03481	0.5
183.09906	2.1
185.04184	0.6
243.10791	0.5
257.08063	0.5
299.01913	0.8
335.08875	0.4
345.15204	100.0
346.15552	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	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24169	0.4
59.71214	0.4
97.60968	0.4
98.23392	0.7
107.04987	0.9
108.05282	0.9
121.06520	0.5
123.04456	0.6
136.07587	0.7
137.06007	3.4
147.04424	0.9
148.04791	1.3
148.07600	0.4
149.07872	0.5
153.01794	1.4
163.07643	0.4
165.08884	2.1
183.09967	1.0
185.04347	0.4
191.07030	0.9
192.06563	0.5
193.07065	1.1
203.05267	3.2
208.02878	1.2
237.06250	0.6
238.07054	0.5
239.07384	0.6
277.04935	0.5
292.99789	0.4
313.10580	0.5
323.11044	0.4
327.14221	1.2
340.13837	0.6
345.11679	5.6
345.15228	100.0
346.12180	0.7
346.15689	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11816	1.0
54.18608	0.9
55.07819	1.1
69.73183	5.3
78.70701	0.9
78.73568	1.0
79.05489	1.6
79.87425	1.0
81.07082	1.3
86.54106	1.2
91.05469	3.6
94.04168	1.6
95.04939	1.2
103.05477	13.5
105.07012	2.6
107.04944	2.0
115.05477	2.6
117.07040	5.4
119.04955	2.4
119.08642	1.3
121.06536	2.9
122.03664	5.0
123.08053	2.7
128.06201	1.5
131.04933	20.9
133.06516	1.3
137.05974	56.4
138.06265	1.8
143.01114	1.1
143.08525	1.3
145.06406	1.7
149.05968	2.5
151.07544	12.7
160.05237	1.5
161.06013	2.4
162.06685	1.8
163.07545	37.8
164.07924	1.5
165.05472	2.1
165.06895	1.0
165.09181	1.2
167.07030	2.1
171.08022	1.5
175.07550	5.8
177.09111	100.0
178.09428	4.7
179.08501	1.2
191.03337	2.1
195.10213	8.3
203.10747	3.0
221.11748	5.9
224.08290	1.2
255.93143	1.4
299.12805	2.4
345.06039	1.2
345.09573	2.6
345.13098	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24133	2.0
51.67988	2.0
55.01848	2.1
55.32446	2.0
67.05505	2.7
73.02913	5.3
78.25036	2.0
79.05511	4.7
89.03925	2.1
91.05490	7.8
93.07034	3.2
94.04207	2.4
95.04973	3.8
103.05489	13.6
106.01476	2.7
109.06513	2.9
115.05491	2.7
117.07057	7.7
120.70346	2.1
121.06523	15.8
122.03661	4.8
123.04391	2.6
131.04930	16.2
133.02869	3.8
135.04564	2.1
137.05984	51.8
138.06247	2.2
149.05946	11.8
151.03937	6.9
151.07559	12.2
162.06781	4.3
163.07565	37.3
164.07028	2.8
165.05510	4.1
167.07143	2.1
175.07556	4.9
177.09114	100.0
178.09480	5.0
179.21979	2.2
191.07106	2.4
195.10176	8.0
203.10675	3.2
211.07637	2.2
221.11761	6.8
248.67496	2.0
299.09183	6.6
299.12668	4.3
313.10687	6.6
345.06094	5.2
345.09680	5.0
345.13278	7.6
345.21735	2.6
358.34729	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	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
56.59130	1.3
65.03928	2.0
68.16077	1.2
71.30882	2.2
79.05513	2.9
81.03407	1.7
81.07064	1.6
91.05477	7.5
92.31560	1.4
93.07035	1.4
94.04179	2.2
103.05479	14.8
105.07040	2.2
111.04472	1.5
115.05462	2.7
117.07044	6.4
119.04941	3.3
119.08583	1.7
121.06528	5.5
122.03672	3.6
131.04933	18.3
137.05975	48.9
145.06496	2.7
147.08034	2.2
149.05984	2.6
149.09607	1.7
151.03929	5.9
151.07574	17.3
153.01920	2.1
161.06023	5.0
162.06799	3.1
163.07564	30.9
165.06984	2.7
165.09085	2.1
167.03441	2.0
167.07060	2.9
171.08095	1.6
175.07613	6.1
177.09125	100.0
178.09489	4.2
181.06573	2.0
182.07294	1.8
191.03444	6.3
191.07053	4.5
195.10208	5.9
203.10722	2.9
207.08151	2.0
210.06734	1.7
212.70613	1.7
221.06004	2.2
221.11772	4.7
225.09225	3.3
227.06953	1.6
238.06216	1.8
253.08612	3.3
267.10248	3.0
270.08789	1.6
285.11179	7.7
299.09219	2.3
299.12619	2.2
313.07388	1.7
313.10742	5.7
327.05573	1.5
327.12347	4.1
345.06097	6.7
345.09702	5.2
345.13278	4.1
345.20349	2.6
346.03726	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	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.5
55.05509	16.1
57.07080	11.5
62.39938	6.7
67.05491	22.6
69.03407	5.1
69.07073	50.5
71.06401	7.6
71.08646	5.9
79.05501	10.2
80.25590	4.4
81.07059	100.0
83.08612	22.2
85.06554	16.1
91.05499	7.4
93.07044	33.9
95.08620	66.2
97.06533	4.4
99.08111	8.8
105.07034	14.2
107.08603	24.9
109.10151	26.2
111.08102	21.1
111.11707	6.3
112.46464	4.0
121.06493	6.0
121.10143	11.7
123.11711	26.1
125.09638	6.5
131.08589	5.6
135.11694	9.6
137.13278	17.7
149.13234	21.7
153.12779	10.9
163.14868	4.6
178.05801	4.2
266.53278	4.4
275.04156	7.0
309.28012	6.6
310.27686	5.6
313.10846	11.9
317.32425	4.5
326.37552	4.8
341.15436	4.1
346.12473	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	346.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18565	4.8
54.92350	4.9
56.05033	11.5
68.05035	8.0
70.06590	28.0
70.66988	11.3
72.08149	55.9
72.21738	4.5
74.06088	6.8
84.04515	8.2
84.08147	31.5
86.06071	92.7
86.09708	22.7
88.04006	7.5
94.92991	5.7
109.74793	5.2
112.13589	5.1
116.07111	6.3
119.77529	5.2
129.10275	6.7
130.08661	8.8
132.06606	5.7
147.11417	5.1
151.06464	5.3
153.01814	12.4
154.02246	7.8
171.14915	7.6
178.57680	4.8
184.05934	7.9
185.16515	5.3
186.12543	5.9
196.40361	6.2
201.08794	12.6
212.85233	10.1
214.08202	8.8
215.10327	6.4
217.00415	6.5
226.08690	5.5
229.08334	6.5
231.13469	12.6
241.11890	6.3
245.11348	9.7
334.51770	5.3
346.04681	100.0
346.16055	8.8
347.19696	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	346.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13525	1.5
61.02924	2.0
65.51171	1.6
71.28908	1.8
72.08167	1.9
72.69041	1.7
85.02905	1.8
96.63036	1.7
119.01917	3.4
124.29746	1.6
140.06831	65.2
143.01938	2.5
145.02875	1.5
153.01753	1.6
172.08162	1.8
182.08102	2.1
184.05818	100.0
185.04242	27.9
185.05984	3.5
203.05264	2.9
247.04308	2.8
287.95203	1.7
346.11105	78.0
347.13229	14.3
347.16815	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	346.1286
Annotation	Tecleaverdine
Peak:m/z	Relative Intensity
52.11875	0.3
58.51067	0.4
70.02953	0.4
77.02538	0.3
79.24344	0.3
81.03385	0.3
86.09715	0.6
88.03965	0.6
91.05465	0.7
98.23467	0.6
103.05500	0.3
107.04908	0.7
108.08057	0.4
119.87252	0.3
121.06497	1.2
123.04376	2.0
126.59132	0.4
133.02811	0.3
135.04419	0.4
136.07530	0.3
137.02380	0.3
137.06017	1.5
139.05508	0.4
141.06978	1.7
146.77658	0.3
147.04462	0.6
149.05902	0.3
151.03867	0.7
153.06969	1.2
155.08328	0.3
165.05377	0.5
165.06982	0.4
168.05702	3.7
169.06505	9.8
179.04965	0.5
181.06461	0.5
183.08063	6.9
186.06786	1.4
196.05153	3.5
197.05986	22.4
198.06509	2.2
201.09085	0.4
207.04414	0.9
211.07530	9.4
212.00938	0.4
212.07925	1.0
214.06242	3.6
224.04715	0.5
225.05475	26.9
226.06020	2.7
229.08614	13.0
230.08949	0.8
239.07011	3.9
242.05742	3.2
244.07204	0.6
253.04982	5.9
257.08093	100.0
258.05847	0.6
258.08444	6.2
283.22638	0.4
285.07584	40.1
286.04810	0.7
286.07919	3.3
331.04520	0.5
346.06442	0.7
346.12906	5.5
347.03751	0.4
347.07587	2.6
347.13000	0.5
347.16797	1.1
351.37451	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
56.05044	7.6
58.06593	4.3
61.02912	1.5
69.03427	4.2
69.07080	8.6
70.06586	2.9
71.04987	1.5
71.28669	1.7
72.08157	2.0
74.06082	34.7
79.05499	2.2
81.03414	3.1
81.07058	2.4
84.04505	5.1
84.08134	1.5
85.02905	9.7
86.03219	1.1
86.06073	1.6
86.09708	100.0
91.05489	2.7
93.07023	6.9
95.08615	1.3
96.10221	1.0
97.02886	4.0
99.04469	1.4
101.07140	14.9
102.05553	1.8
105.07063	2.5
107.04941	1.8
107.08613	1.4
111.08068	2.0
120.08116	1.9
121.06516	26.3
121.10167	6.2
123.04430	1.7
124.11206	1.4
126.12779	2.5
127.03929	2.4
132.10194	8.6
135.08087	1.2
137.02318	3.7
138.02661	1.6
142.12273	13.8
143.11790	4.8
145.04951	2.5
167.07036	5.4
167.10632	2.1
169.13454	3.0
184.13339	2.0
187.14420	85.5
188.14787	2.1
195.13754	1.7
197.12866	3.3
215.13910	29.3
233.14993	16.2
245.18483	1.4
300.05670	3.2
302.03979	4.1
303.04535	7.6
317.06027	2.1
328.22308	1.4
346.06375	32.8
347.06726	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01879	2.2
57.03438	6.3
60.04528	56.2
61.02934	10.4
67.05503	5.4
69.03429	16.5
69.07074	1.3
69.55621	1.2
71.05000	2.5
71.30730	1.5
72.04514	2.2
73.02915	5.0
74.12319	1.2
79.05505	8.2
81.03421	9.5
81.07055	8.1
83.04966	1.2
85.02910	100.0
86.03242	1.3
86.09693	1.8
87.04458	3.6
91.03982	6.4
91.05482	9.4
93.07043	6.2
94.06604	1.4
95.04950	1.7
95.08604	3.4
97.02899	29.2
99.04447	3.9
99.08069	1.5
103.05471	11.1
105.07043	3.8
107.04957	3.4
107.08585	3.5
108.08063	1.6
109.02899	7.4
117.03407	2.0
117.07044	2.2
119.08597	2.6
121.02846	1.5
121.06512	82.9
121.10101	1.6
122.06831	2.2
123.04408	2.0
123.11721	1.3
127.03915	23.2
131.04938	4.4
131.08553	2.7
132.39174	1.2
133.10144	2.4
135.04424	3.1
136.07603	3.4
137.02374	1.5
137.05992	6.1
139.07533	2.5
145.02838	3.7
145.03868	2.5
145.04965	40.9
145.10168	1.3
146.05331	1.4
147.04449	1.5
149.05978	5.2
151.03931	1.5
163.03917	12.9
163.06056	6.5
165.05521	1.9
167.03375	5.7
167.07013	9.4
177.01849	1.8
179.07074	2.0
180.08754	1.6
180.79926	1.2
193.01352	1.5
200.12823	1.4
205.06526	1.7
292.22662	1.5
293.07968	1.4
310.23752	3.6
311.09268	2.3
313.24478	1.5
315.37128	1.3
328.24719	8.2
329.12115	1.4
346.03647	1.7
346.25867	41.0
347.07599	4.2
347.26205	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.3
61.02922	7.1
67.05504	2.8
69.03433	16.5
69.37180	11.0
70.06592	3.2
71.05001	4.6
72.42642	2.1
73.02919	5.1
81.03412	9.7
83.92353	1.8
84.04504	2.6
85.02908	100.0
86.09708	14.4
87.04481	2.8
91.03965	5.9
91.05490	3.3
97.02882	25.9
99.04426	3.9
103.03909	2.1
107.04959	63.1
108.05304	2.4
109.02846	9.6
120.72752	1.9
121.06498	4.9
122.06073	2.2
127.03918	18.3
137.05942	3.9
145.02855	2.8
145.04973	25.9
149.05991	23.5
150.05496	8.5
163.03903	8.8
163.06006	3.9
167.03427	3.4
167.07024	9.3
168.06555	4.2
173.05968	4.9
174.78091	1.8
180.08670	10.4
184.00606	2.3
184.09705	3.8
185.04202	2.9
185.07881	8.5
199.18120	3.1
201.39812	2.1
203.05289	8.0
204.10263	2.5
215.07053	6.6
233.08116	3.3
243.03130	2.0
244.33376	1.8
248.12889	2.8
275.09290	3.4
301.12585	34.5
343.55334	2.2
346.10544	3.4
346.15347	6.2
347.13129	54.4
347.16840	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	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
55.45962	0.9
56.05033	4.0
60.04531	6.0
61.92458	0.8
62.76524	0.8
68.44479	0.9
69.07047	1.1
69.70383	1.8
69.70755	3.5
70.06580	1.4
70.18790	0.9
71.08630	18.6
72.08159	22.7
81.07061	1.2
82.06552	1.2
83.06085	1.3
84.04506	64.2
84.08130	1.1
85.02906	5.2
85.04857	1.5
86.09706	26.6
86.71037	0.9
88.04004	2.1
88.11270	100.0
89.11607	2.1
96.75682	1.0
98.06048	4.1
98.66364	0.9
102.05534	6.7
102.46677	0.8
104.07118	7.7
107.04935	3.7
109.48634	1.3
114.09177	0.8
121.06526	0.9
122.06027	2.2
127.08665	1.6
130.05002	22.5
132.10176	3.3
138.40494	0.9
141.06628	1.3
142.06245	0.9
142.08612	3.0
144.06566	2.0
149.07080	1.9
149.09566	0.9
154.12256	4.7
157.13376	1.3
162.07617	1.1
167.08174	1.1
168.06549	2.9
169.09746	2.4
170.11655	0.9
171.14940	18.3
185.16515	1.8
187.10783	13.0
195.07677	5.2
196.05974	1.0
197.12892	4.5
199.14461	1.3
200.12819	65.6
201.12936	1.7
213.08786	1.2
215.10321	6.8
215.13843	6.5
217.15474	79.4
218.15782	2.7
241.08208	6.2
242.06567	2.0
243.13422	1.6
247.12830	2.0
259.09326	1.5
283.16516	3.5
346.19626	5.9
346.25879	3.8
347.89719	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	346.1972
Annotation	Glu-Val-Val
Peak:m/z	Relative Intensity
55.05510	2.3
56.05034	3.3
60.04529	3.5
69.12550	5.7
70.06627	1.1
71.08631	17.3
72.07761	1.5
72.08158	24.4
75.56860	1.0
81.07037	1.0
82.06601	1.2
84.04504	62.1
85.02918	3.9
86.06033	1.0
86.09705	26.9
88.03984	2.7
88.11269	100.0
89.11591	1.4
93.07067	1.1
98.06065	4.4
102.05531	7.6
104.07084	7.4
107.04956	2.4
116.55557	1.0
122.06071	3.0
127.08638	1.0
130.05014	20.0
132.10222	2.8
142.08661	2.3
144.06535	1.6
149.07143	1.7
154.12279	4.2
157.13380	1.6
162.07616	2.1
162.95404	1.3
168.06635	1.5
169.09641	1.5
171.14922	17.3
185.16565	1.8
187.10764	10.2
195.07608	4.9
197.12927	3.3
200.12810	59.2
201.13185	1.0
215.10332	5.2
215.13895	7.5
217.15469	67.4
218.15829	1.5
221.97693	1.1
225.12283	1.5
236.65027	1.0
241.08197	6.1
242.06494	1.3
243.13345	1.2
247.12923	3.5
283.16574	3.8
298.20435	1.0
301.24240	1.1
328.18393	1.2
346.19705	3.8
346.25909	3.1
368.37036	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.6
67.05515	69.7
69.07071	22.0
70.31093	22.5
79.05484	27.1
79.10123	11.1
81.07066	28.2
93.07024	28.0
94.12780	12.5
95.08625	20.4
97.10178	12.7
98.22687	15.0
105.07013	17.1
107.08571	28.8
109.10148	61.7
111.08103	12.7
119.08557	18.1
120.82138	13.1
147.11813	15.1
151.65202	12.6
155.10661	24.0
173.11758	100.0
189.11296	14.6
264.21274	14.0
275.20047	41.6
281.90286	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0739
Annotation	Cassipourine
Peak:m/z	Relative Intensity
51.75961	5.5
62.11445	5.4
64.31444	5.4
75.43591	5.6
86.09689	6.3
88.60131	5.5
115.97636	5.5
126.14582	5.2
131.84973	7.0
139.90901	7.0
209.14417	5.8
241.01027	6.0
274.75427	6.7
330.79047	6.2
347.07452	100.0
348.07550	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	347.0763
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
54.07993	0.3
60.04522	0.3
64.52478	0.4
69.75943	1.4
77.06210	0.4
78.58610	0.3
91.05457	0.6
117.07043	0.4
119.08572	0.4
121.02869	0.4
131.04890	0.4
135.04399	0.3
137.02344	1.1
145.06445	0.6
146.07211	0.5
151.07536	0.5
153.01799	1.6
156.05708	0.4
157.06483	0.4
161.05974	0.4
165.01881	0.7
173.06026	1.0
174.06786	1.7
178.02524	0.4
183.04330	0.5
184.05179	3.5
185.05835	0.6
187.03868	0.5
191.03441	0.6
193.04895	0.4
199.03815	0.5
201.05490	2.2
202.06229	1.3
203.03368	0.6
207.02951	0.4
212.04697	3.0
213.05487	2.3
215.03328	0.4
219.02887	3.0
229.04996	4.9
230.05663	2.9
240.04248	2.0
241.04979	2.6
243.02960	0.9
243.11060	0.4
257.04520	3.2
258.05228	5.7
268.03653	1.1
269.04361	2.4
285.03958	1.3
286.04724	34.1
287.05179	2.5
289.03394	1.0
297.03857	2.0
301.03354	0.9
302.04248	1.4
303.05029	3.2
304.05643	0.6
313.00735	0.4
313.03528	4.2
314.04196	12.8
315.04938	5.3
317.02649	0.4
317.06183	0.4
318.03729	3.6
331.04489	14.2
332.01315	0.3
332.05209	8.6
333.05664	0.7
347.07617	100.0
348.07959	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	347.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92527	0.9
60.16162	1.0
69.62196	0.9
70.74346	1.4
73.27171	0.8
73.56833	0.8
85.02901	2.3
108.14860	0.8
167.06795	3.1
185.04256	3.9
185.07851	16.8
203.05264	24.6
285.13150	4.6
301.12576	62.0
302.12973	3.7
304.61890	1.0
329.12210	1.7
347.13135	100.0
348.13348	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
56.71007	0.4
62.15849	0.5
69.03393	1.2
69.74041	0.5
70.08362	0.4
71.28219	0.6
81.03387	0.8
85.02887	1.4
137.06021	0.4
150.05385	0.7
151.05865	0.7
167.06816	2.4
182.90211	0.4
185.04219	3.9
185.07866	12.5
186.08205	0.7
203.05275	13.2
230.02820	0.7
241.09100	0.5
285.13113	6.5
301.12573	77.3
302.12958	3.7
313.14682	0.5
329.11887	0.8
347.13126	100.0
348.13440	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	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
62.85791	0.4
68.21424	0.4
70.06575	0.5
70.55207	0.9
84.74963	0.4
85.12614	0.4
100.96693	0.4
119.01907	0.6
140.06862	0.5
145.95004	0.4
184.05791	1.2
185.04361	0.7
185.06377	0.9
185.07846	2.9
203.05371	2.6
236.50481	0.4
285.13110	12.5
287.11093	3.0
316.63022	0.5
347.13156	100.0
348.13580	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	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62822	0.6
57.07072	3.0
58.07407	1.1
69.43610	0.6
69.67308	2.8
70.06590	4.6
70.78995	0.7
71.08642	1.2
71.76824	0.8
81.00139	0.6
88.07628	6.6
89.07967	1.1
91.05441	0.7
94.87215	0.7
102.09180	3.1
103.09534	0.7
105.37660	0.7
149.02307	0.9
149.05971	1.0
193.04916	2.3
224.65601	1.9
284.29507	4.6
285.29794	7.8
319.22476	1.8
327.58105	0.7
346.33139	8.4
347.21927	100.0
347.33453	20.6
348.22311	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	347.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16760	0.5
56.05033	1.8
57.07067	1.3
58.06607	0.9
60.71233	0.6
66.31578	0.6
67.47395	0.5
69.87441	1.4
71.08671	0.6
74.06067	1.5
79.05513	0.5
88.07639	6.4
89.07960	0.8
90.02512	0.5
91.05487	0.7
118.08642	0.7
122.08137	1.0
224.65707	0.7
235.13017	0.9
249.14598	2.1
265.14108	1.6
284.29236	0.7
298.31046	1.8
299.31287	2.8
346.33118	4.8
347.21942	100.0
347.33435	13.2
348.22256	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	347.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	4.3
57.07080	4.8
58.06600	1.7
60.04545	1.0
60.08179	1.0
66.46500	0.8
67.05493	1.3
69.07070	1.8
69.54428	4.0
70.06579	1.0
71.08626	2.0
74.06082	3.7
79.05485	1.5
81.07050	3.8
88.07639	19.7
89.07946	1.7
91.05482	1.8
93.07076	1.7
95.08607	1.2
98.22610	0.9
102.09229	0.8
105.07051	1.1
105.79899	0.9
107.08612	1.9
109.06512	1.2
118.08685	2.9
118.15428	0.9
119.08599	1.5
122.08179	1.4
123.08549	0.9
135.00180	0.9
165.12718	1.9
224.65739	1.0
247.20227	0.9
273.18484	1.1
284.29431	1.6
285.29803	1.9
298.30975	5.1
299.31406	11.6
327.38571	1.0
329.32300	1.0
345.65570	0.8
346.33148	12.6
347.21939	100.0
347.33469	40.9
348.22293	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	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
53.44760	0.5
56.05035	0.6
57.03423	0.8
57.07074	0.7
71.28487	1.0
79.05498	1.3
80.35667	0.6
81.07067	1.8
88.07626	2.0
91.05489	12.2
93.07060	0.9
95.08613	0.8
100.56601	0.6
105.07050	1.8
107.08624	0.7
115.64938	0.6
119.08582	0.8
133.10179	0.7
135.08063	1.1
143.08646	0.8
145.10091	0.7
159.11729	0.5
170.20296	0.5
198.12868	1.2
253.73007	0.6
277.14218	0.8
298.31125	0.7
299.31332	0.9
346.33252	1.3
347.21939	100.0
347.33328	3.6
348.22226	6.1
348.28928	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	347.2217
Annotation	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03963	6.0
55.01874	7.7
55.05508	12.2
57.03434	9.4
57.07074	6.4
58.34545	3.0
59.05003	5.7
59.58110	2.5
63.54573	2.9
67.05499	18.2
69.03434	18.6
69.07069	16.9
69.13200	11.8
69.13621	9.7
71.04996	33.9
73.02916	9.3
79.05487	19.5
81.03438	18.6
81.07072	27.8
83.04983	8.2
83.08625	6.3
83.32664	3.0
85.02906	10.5
85.06535	3.6
87.04466	4.0
88.13255	3.1
88.16875	2.9
91.05484	28.7
93.07041	27.0
95.01300	3.7
95.04977	12.1
95.08635	24.7
97.02888	13.4
97.06520	5.4
97.10151	3.3
99.04441	3.6
103.03978	3.1
105.07047	40.1
107.04945	4.4
107.08611	27.4
109.06475	7.3
109.10141	17.8
111.04445	5.8
115.03912	6.7
115.05499	4.9
116.51354	2.9
117.07018	13.2
119.04942	12.1
119.08582	44.6
119.57965	2.9
121.06526	20.9
121.10149	13.8
123.04470	5.5
123.08089	5.5
123.11736	6.3
125.09637	8.8
127.11194	13.6
128.06219	12.2
129.05530	4.7
129.06999	10.3
130.07791	4.1
131.08591	30.6
133.06474	4.0
133.10133	32.5
135.08066	10.3
135.11697	11.8
137.05965	5.8
137.09650	6.2
139.03914	4.7
141.07047	4.6
142.07805	10.3
143.08595	27.4
143.10690	3.4
145.10117	43.0
147.08051	9.6
147.11707	16.7
149.09660	6.2
149.13245	6.8
151.11165	3.9
153.12688	3.5
155.08588	14.6
156.09367	9.3
157.06569	4.0
157.10141	38.9
159.08076	14.2
159.11708	33.6
161.09628	9.9
161.13281	6.5
163.07559	3.2
163.11165	3.8
165.07043	5.9
167.08565	10.1
168.09306	4.8
169.10120	18.5
171.08118	9.8
171.11679	31.7
173.09641	13.9
173.13240	19.1
175.11221	3.9
177.09238	6.1
181.10121	9.8
181.26871	3.9
183.08113	5.2
183.11699	21.3
185.09604	10.2
185.13211	17.0
187.11212	10.4
187.14899	4.0
189.09157	28.1
189.12752	5.4
192.09273	3.6
194.10872	5.9
195.11731	9.8
197.09624	4.6
197.13283	12.2
199.11151	7.7
199.14862	11.5
201.12770	13.7
201.16408	10.8
203.10623	5.2
203.18013	3.9
205.15793	3.7
207.10129	6.8
207.11803	8.8
209.13214	9.0
211.11134	3.0
211.14856	7.4
213.12695	16.5
213.16400	11.5
215.14450	7.2
215.18007	6.4
223.14824	9.1
225.12798	17.4
225.16394	5.2
227.14377	5.4
227.17964	8.8
229.15968	4.5
231.13712	5.4
231.17436	11.6
237.16342	5.2
239.14212	4.5
239.18004	3.8
241.15904	11.0
243.13922	15.5
243.17473	11.5
245.15338	7.6
257.19131	5.3
259.16980	4.2
261.14877	20.3
269.19031	8.5
281.18933	4.3
287.20068	9.0
290.98740	3.6
293.19003	4.0
299.20035	7.9
301.21667	4.5
311.19968	28.5
317.21326	4.0
329.21112	47.6
347.22137	100.0
348.22040	6.7
352.16937	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	348.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06600	3.9
72.08162	1.1
84.04523	0.6
85.02902	1.5
86.09703	0.8
91.05487	1.0
93.23380	0.6
119.04945	0.7
123.04430	2.2
124.04771	1.2
135.04491	0.8
136.06195	0.7
138.05275	6.4
143.50409	0.5
149.02309	0.5
151.07605	4.3
154.04755	18.8
161.02391	0.7
161.03809	0.5
177.01848	0.6
178.02231	0.5
181.82112	0.5
193.74339	0.5
195.02936	0.7
233.09079	1.1
235.10471	3.7
251.10046	42.9
252.10300	2.2
266.65170	0.5
281.32266	0.5
284.06528	0.7
289.16547	0.5
302.07437	1.2
320.15503	1.0
348.15311	100.0
349.10098	1.2
349.15594	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	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66444	3.8
71.29075	3.5
75.18726	3.6
84.04551	3.8
85.02903	23.7
91.05507	15.3
95.04943	5.0
97.02945	7.6
109.02852	3.3
119.04958	14.0
121.06526	7.4
123.04491	4.0
124.07704	4.0
127.03968	3.7
145.05002	5.4
147.46228	3.6
151.07555	100.0
153.01793	4.6
169.08614	7.1
177.05476	4.7
348.13232	5.9
348.17072	7.5
349.05295	5.7
349.09323	49.6
353.64621	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	348.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54597	2.9
53.03935	6.5
55.01875	4.4
55.05512	28.7
56.05020	2.7
57.03433	3.8
59.04993	5.3
61.02922	8.6
65.46954	2.9
66.55206	2.4
67.05511	6.9
67.21345	2.6
69.03426	15.7
69.07061	10.8
70.06596	14.4
70.07397	3.8
71.04994	100.0
71.28941	3.7
73.02903	9.7
73.06573	4.1
79.05492	11.2
81.03401	6.2
81.07061	71.2
83.04976	33.8
84.08134	2.8
85.02905	71.9
86.09710	9.4
91.03940	3.1
91.05484	9.5
93.07050	62.3
95.04974	5.5
95.08599	9.3
97.02908	23.4
97.06510	4.6
99.04412	3.8
101.06028	25.3
104.05328	4.4
105.07028	10.8
107.08598	16.7
109.02851	4.1
115.03922	3.1
117.07034	2.9
120.08079	3.9
121.10144	2.6
123.11709	12.0
127.03911	24.1
133.05006	5.5
133.10133	11.0
135.11641	4.6
136.06175	3.6
136.95377	2.7
137.31712	3.5
145.04970	33.2
151.11220	7.9
162.07622	3.4
163.06017	14.9
169.13412	7.5
174.05566	2.8
177.79074	2.8
181.04997	3.9
186.14847	4.8
199.08589	2.7
201.12286	4.6
202.04993	4.0
208.10504	2.7
217.13675	8.1
223.06000	3.5
243.11372	10.2
263.11188	5.3
263.71808	3.1
269.93927	2.9
271.10818	6.7
274.34506	3.1
309.11981	2.8
313.11844	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	348.2746
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03950	0.7
55.05510	3.7
56.05035	3.4
57.03446	1.1
57.07073	0.5
60.04528	100.0
61.04836	0.8
65.03922	0.8
67.05505	12.1
68.05053	0.7
69.07071	3.1
70.06613	1.4
72.04528	2.0
74.06091	1.6
79.05497	8.5
80.05029	1.4
81.03432	1.0
81.07061	10.9
82.06597	2.1
83.04956	0.7
83.08632	1.4
84.08149	0.9
85.06538	1.2
86.06081	1.2
90.05552	1.7
91.05482	8.4
93.07053	9.3
94.06609	2.0
95.04987	2.0
95.08605	7.9
96.08128	1.3
97.06557	1.1
97.10220	0.7
98.06065	0.6
99.08124	0.7
100.07618	1.3
100.11280	2.0
103.05486	0.7
105.07040	5.3
107.08604	4.6
109.06533	1.0
109.10136	4.0
111.04434	0.7
111.08046	0.8
112.07658	0.6
113.09679	0.7
116.07114	0.8
117.07031	1.7
119.08582	4.6
120.08138	0.7
121.06532	2.4
121.10160	4.2
123.08103	0.7
123.11735	1.2
129.06990	1.4
131.08594	2.1
133.10095	2.9
135.11723	3.0
136.06241	1.6
143.08511	1.0
145.02873	0.8
145.10121	1.9
147.11697	2.1
151.07559	0.9
151.11115	0.6
159.11714	1.4
161.13240	0.8
171.11708	0.8
177.01863	0.7
177.05492	1.4
185.85298	0.6
191.03357	0.8
210.14906	1.0
217.55794	0.6
220.87268	0.6
258.22153	0.8
276.23163	3.9
285.07950	0.8
294.24280	6.8
312.25342	9.1
313.25870	0.8
330.26398	23.6
331.26694	1.6
348.27451	45.7
349.12827	0.9
349.27792	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	11.4
57.03421	7.8
67.05513	64.9
69.76748	19.2
69.77115	11.4
70.10439	6.6
71.08653	6.7
79.05496	12.1
81.07076	30.1
83.08622	7.6
90.59492	5.5
91.05476	8.3
91.89832	5.9
93.07070	14.4
95.08619	10.4
97.10188	19.1
98.23276	6.9
107.08622	14.5
109.10165	57.8
118.86214	5.2
119.08631	8.9
120.94545	5.8
125.09655	8.3
127.56703	5.2
137.03108	5.8
145.10103	6.2
155.10670	16.6
173.11760	100.0
189.11240	9.7
277.21671	21.9
295.22693	15.9
367.59381	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	349.0894
Annotation	Pibocin B
Peak:m/z	Relative Intensity
54.30257	0.8
55.01871	0.8
56.05034	2.3
57.03428	3.5
58.99579	2.7
69.07058	1.1
70.24638	2.7
71.61089	0.7
74.91421	0.7
76.02218	3.6
77.80421	0.9
79.05480	3.0
79.45313	0.9
81.07059	22.9
84.03995	0.9
84.04504	19.9
85.01128	1.5
86.00665	2.1
86.09696	1.6
86.99056	3.1
87.02694	12.2
98.09686	0.9
99.08102	3.5
105.00089	2.9
119.95107	0.8
122.02721	16.4
130.04996	3.5
132.01128	4.5
139.65688	0.9
142.03209	1.7
156.08429	1.1
159.04755	3.0
174.09457	1.3
178.86420	0.9
185.04218	67.3
186.04579	1.9
187.03664	17.7
187.05215	1.4
188.03883	1.8
189.79761	0.8
202.07129	2.1
202.08957	22.7
203.05727	0.8
203.07372	5.3
203.09119	1.2
220.10056	2.2
234.04156	1.3
275.35669	0.8
286.11130	0.9
322.25259	1.0
332.11731	1.2
349.08945	100.0
349.13632	3.1
350.09375	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	349.0894
Annotation	Pibocin B
Peak:m/z	Relative Intensity
57.61887	2.5
59.06764	2.7
69.91827	8.9
98.22765	3.2
212.30756	3.0
349.08957	100.0
350.09155	3.0
353.58105	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	349.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01873	1.6
55.05511	4.0
56.05043	5.5
57.03437	9.2
58.99585	10.9
69.44527	3.8
69.44928	2.3
71.04977	1.3
72.08154	1.8
76.02224	11.7
79.05499	11.3
80.05035	1.1
81.07059	100.0
82.07363	1.8
84.04508	81.2
84.46834	1.0
85.01137	3.2
85.02927	1.5
86.00668	6.5
86.99062	12.9
87.02700	49.3
95.04995	1.2
98.09679	4.3
99.08094	13.6
102.05537	3.0
105.00088	16.6
113.04227	4.5
121.06554	1.9
122.02733	66.4
122.91897	1.1
130.05017	13.8
130.06929	1.3
132.01151	19.9
142.03253	5.5
156.08438	4.3
157.06808	2.6
159.04767	18.2
173.75319	1.2
174.09538	3.7
180.13049	1.1
188.03801	3.9
202.08978	97.9
203.07408	30.0
203.09248	3.5
210.11304	2.5
220.10025	15.6
230.94623	1.3
234.04294	3.9
235.30014	1.4
251.06961	3.1
270.19638	1.1
286.11102	3.4
331.13101	6.0
332.11526	2.7
349.14160	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	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.1
57.03447	7.5
64.35503	7.3
67.05511	50.4
69.07069	32.1
71.28835	9.7
79.05488	40.0
81.07063	64.2
83.04967	17.1
83.08634	8.1
91.05504	34.6
93.07042	44.2
95.04990	11.8
95.08627	27.8
98.98483	7.9
103.05440	7.7
105.07014	44.3
107.04932	12.3
107.08582	36.5
109.06554	14.3
109.10162	10.8
117.07036	17.9
119.08591	24.9
121.06499	16.6
121.10136	15.3
123.08106	12.0
131.08574	21.5
133.10190	28.6
135.11726	10.1
145.10117	20.7
146.18347	8.3
147.11728	17.8
151.09698	6.8
159.11784	15.7
161.13309	9.5
171.12016	10.1
173.13275	8.4
201.12775	9.2
207.97324	8.4
212.35097	7.5
219.13860	10.2
257.19070	15.0
259.81668	8.3
275.20093	100.0
276.20511	10.7
293.21298	9.6
349.09305	9.0
349.23676	34.8
367.64789	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	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.1
57.03447	7.5
64.35503	7.3
67.05511	50.4
69.07069	32.1
71.28835	9.7
79.05488	40.0
81.07063	64.2
83.04967	17.1
83.08634	8.1
91.05504	34.6
93.07042	44.2
95.04990	11.8
95.08627	27.8
98.98483	7.9
103.05440	7.7
105.07014	44.3
107.04932	12.3
107.08582	36.5
109.06554	14.3
109.10162	10.8
117.07036	17.9
119.08591	24.9
121.06499	16.6
121.10136	15.3
123.08106	12.0
131.08574	21.5
133.10190	28.6
135.11726	10.1
145.10117	20.7
146.18347	8.3
147.11728	17.8
151.09698	6.8
159.11784	15.7
161.13309	9.5
171.12016	10.1
173.13275	8.4
201.12775	9.2
207.97324	8.4
212.35097	7.5
219.13860	10.2
257.19070	15.0
259.81668	8.3
275.20093	100.0
276.20511	10.7
293.21298	9.6
349.09305	9.0
349.23676	34.8
367.64789	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	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30887	6.0
52.91613	6.7
55.01866	9.7
55.05513	48.0
56.96569	39.1
57.03443	21.5
57.07078	9.7
59.78927	5.9
60.25444	5.9
65.03957	8.8
67.05505	77.9
68.22955	6.1
69.03437	8.1
69.07067	42.2
70.06596	16.7
71.06920	6.9
71.52935	6.0
79.05498	72.4
81.03452	9.7
81.07055	97.2
83.04972	13.0
83.08631	31.0
85.09801	6.4
88.07645	18.4
91.05496	54.9
93.07047	83.0
95.04973	30.7
95.08595	54.1
97.06540	13.9
97.10169	8.4
97.96806	8.1
98.22655	17.8
102.09211	7.7
105.07021	62.3
107.04955	19.9
107.08602	65.9
109.06532	30.0
109.10178	21.8
110.97613	9.9
111.08089	10.7
117.07043	24.8
119.08597	57.6
121.06539	15.5
121.10143	23.4
125.09593	10.0
131.08585	27.2
133.10133	36.2
135.08064	15.2
135.11732	11.7
143.08511	10.5
145.10136	40.1
147.11708	17.6
149.09639	17.7
149.13258	12.0
157.10147	9.1
159.11720	28.8
161.09685	9.0
163.11215	23.2
168.97804	6.1
171.11806	16.1
171.63150	6.5
173.13420	10.0
199.06383	7.6
201.04533	7.3
239.09521	7.7
239.17871	7.9
241.11131	45.6
257.18973	16.8
259.12192	51.7
275.20093	85.0
286.30200	28.8
287.30368	8.0
297.10190	8.4
331.15970	11.2
348.33829	91.1
349.16885	72.0
349.23892	46.5
349.33957	48.7
367.17972	100.0
368.18420	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	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.1
57.03447	7.5
64.35503	7.3
67.05511	50.4
69.07069	32.1
71.28835	9.7
79.05488	40.0
81.07063	64.2
83.04967	17.1
83.08634	8.1
91.05504	34.6
93.07042	44.2
95.04990	11.8
95.08627	27.8
98.98483	7.9
103.05440	7.7
105.07014	44.3
107.04932	12.3
107.08582	36.5
109.06554	14.3
109.10162	10.8
117.07036	17.9
119.08591	24.9
121.06499	16.6
121.10136	15.3
123.08106	12.0
131.08574	21.5
133.10190	28.6
135.11726	10.1
145.10117	20.7
146.18347	8.3
147.11728	17.8
151.09698	6.8
159.11784	15.7
161.13309	9.5
171.12016	10.1
173.13275	8.4
201.12775	9.2
207.97324	8.4
212.35097	7.5
219.13860	10.2
257.19070	15.0
259.81668	8.3
275.20093	100.0
276.20511	10.7
293.21298	9.6
349.09305	9.0
349.23676	34.8
367.64789	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.1
63.12030	0.6
67.05505	1.9
69.07063	1.8
79.05504	1.7
81.07056	1.9
83.08632	0.8
91.05497	1.9
93.07056	1.4
95.04963	0.9
95.08625	0.9
97.06528	0.7
105.07019	1.5
107.08605	1.9
117.07007	1.0
119.08593	0.9
121.10106	1.1
131.08562	0.7
133.10170	1.1
145.10139	0.9
163.11214	0.7
275.20181	2.1
279.11990	1.1
349.19849	100.0
350.20120	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	349.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14861	2.6
60.05662	19.7
70.06606	35.3
70.34786	7.3
77.55660	2.7
79.93845	2.7
80.23875	2.9
102.50449	2.6
110.65425	2.8
116.07095	12.5
130.09784	11.5
140.20702	2.5
145.94025	2.5
153.01857	3.6
158.09325	7.0
175.11922	100.0
176.12262	2.8
183.88850	3.0
319.63251	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	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92208	0.6
57.07076	4.0
58.07413	0.7
67.05494	1.0
69.05888	5.7
69.07060	2.1
71.08617	1.4
74.55653	0.5
79.05444	0.6
81.07063	2.0
83.04933	0.7
83.08607	0.9
88.11271	8.0
89.06031	0.6
89.11599	2.4
91.05470	2.0
93.07045	1.2
95.08612	1.1
95.94239	0.6
97.06590	0.7
104.35526	0.6
106.00534	0.5
107.04945	5.0
107.08615	1.0
108.05300	1.5
110.05692	0.6
133.10176	1.3
145.10152	0.7
163.11163	0.8
164.11519	0.8
179.14476	0.7
209.11504	1.0
235.13080	1.0
236.16382	4.1
237.16771	8.0
250.19211	0.6
292.22751	1.5
293.23013	9.7
317.04208	0.7
335.58212	0.6
349.23489	100.0
350.23877	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	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31577	0.3
64.53919	0.3
67.05489	0.4
69.07079	0.4
69.86282	0.9
72.38934	0.3
72.83307	0.3
79.05463	0.4
81.07059	0.7
90.39235	0.3
93.07059	0.8
95.08604	0.5
105.07004	0.6
200.44574	0.4
224.94482	0.3
235.13007	1.1
276.84512	0.4
282.11969	0.4
349.23489	100.0
350.23840	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	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05502	0.8
55.95523	0.4
57.07071	0.9
67.05495	0.8
69.07056	0.8
69.20934	0.4
69.68579	1.1
71.08612	0.9
71.73058	0.4
79.05492	0.7
81.07076	1.0
85.10217	0.4
89.06023	1.3
91.05484	0.9
92.34465	0.5
95.08576	0.7
98.22596	0.4
105.07013	0.4
109.06479	0.5
119.08575	0.6
123.08025	0.4
133.44914	0.4
209.29376	0.4
275.19873	0.6
314.94681	0.4
349.23486	100.0
350.23831	6.8
360.19400	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	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50822	0.7
55.05490	1.0
57.07072	0.9
61.84718	0.7
67.05504	2.5
69.07053	1.6
69.79099	3.0
70.73475	0.7
79.05486	2.0
81.07055	2.1
85.06527	1.3
88.34729	0.7
91.05479	1.2
93.07091	1.0
95.04955	1.7
95.08608	0.9
105.07021	0.9
107.08606	1.4
109.06519	1.0
109.10162	1.0
111.08150	1.0
119.08576	1.4
131.08696	0.8
133.10188	1.3
137.05986	1.4
137.83777	0.8
145.10104	1.0
147.11626	0.8
149.13345	0.7
150.98466	0.7
171.11877	0.8
176.15857	0.7
221.15398	6.5
266.21143	8.1
275.20010	1.8
349.23505	100.0
350.23740	7.9
350.27219	1.2
355.04599	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	349.2375
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
50.90154	2.2
53.03949	26.0
53.20267	2.2
55.01878	17.2
55.05519	27.1
57.03442	25.4
57.07088	2.8
62.04477	2.6
65.03947	3.7
67.05508	80.9
68.99757	2.8
69.03422	4.7
69.07071	68.9
71.05000	5.0
73.02911	2.2
79.05497	62.7
80.26321	2.2
81.03425	37.6
81.06585	5.0
81.07058	99.4
83.04968	12.9
83.08609	14.5
85.06542	3.4
91.05484	79.3
93.07043	63.7
95.01337	22.1
95.04963	22.8
95.08618	69.6
96.08930	3.9
97.06541	28.6
97.10168	4.3
103.05488	4.4
105.07028	100.0
107.04947	44.7
107.08603	27.5
109.06494	8.2
109.10162	14.1
111.08064	5.7
112.88998	2.4
115.05436	3.5
117.07043	23.8
119.08589	45.6
121.06506	8.6
121.10150	14.2
123.04426	6.1
123.08054	6.3
125.09621	4.1
129.07056	3.6
131.05005	2.6
131.08568	36.2
133.06523	3.9
133.10136	59.6
135.08054	10.8
135.11705	14.7
137.09615	5.1
141.06953	5.7
143.08583	5.6
144.16470	2.4
145.06459	8.7
145.10120	23.4
147.11688	21.9
149.09599	11.3
149.13264	10.2
157.10147	4.7
159.11719	22.0
161.13245	9.7
163.11168	5.1
165.09210	3.0
169.10170	6.3
171.11914	9.3
173.13289	7.0
177.12677	11.8
179.14319	34.6
183.11627	3.3
187.11226	6.0
190.22092	2.8
223.13210	2.7
229.19496	3.4
241.14464	3.2
247.20477	3.0
257.19055	8.4
275.20059	61.3
349.19946	4.7
349.23685	34.2
349.27628	2.9
349.33932	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	22.5
53.11124	3.4
55.01883	24.4
55.05515	32.8
57.03451	19.6
63.29081	3.6
65.03935	6.4
67.05506	86.1
69.03419	5.8
69.07072	72.1
71.30348	7.1
71.70145	4.0
74.92585	3.2
79.05492	79.7
81.03416	33.5
81.07065	100.0
83.04984	17.6
83.08620	16.2
85.06539	7.6
88.07629	7.1
91.05481	81.5
93.07046	73.1
95.01321	20.8
95.04981	25.7
95.08047	2.8
95.08602	78.3
97.06529	44.3
105.07021	94.5
106.07396	4.1
107.04279	5.2
107.04957	49.8
107.08590	36.8
109.06514	13.0
109.10138	14.4
111.08162	6.3
117.07022	34.6
119.08572	53.2
121.06508	7.8
121.10167	17.4
123.04433	4.6
123.08065	13.4
125.09634	4.4
129.07010	6.5
131.08575	42.1
133.06465	4.2
133.10138	53.4
135.08054	10.1
135.11694	15.2
137.09619	9.6
139.07547	3.9
141.06976	5.2
143.08556	6.3
145.06517	9.0
145.10139	32.8
147.11681	20.5
149.09631	16.5
149.13235	12.1
151.11163	4.8
157.10197	5.1
159.11659	21.0
161.13258	14.7
163.11186	10.3
169.10164	5.3
171.11777	9.8
173.13251	8.0
177.12744	10.4
179.14333	39.4
183.11659	5.3
187.11206	12.2
187.14925	4.2
198.94650	3.7
203.00655	3.8
205.12291	4.7
241.14499	4.8
275.20090	60.6
276.20453	4.7
292.19312	3.8
310.17026	4.1
349.19836	6.3
349.23563	34.9
349.27304	5.4
349.34073	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05539	1.6
50.90419	1.6
51.02386	1.8
53.03949	21.1
55.01877	21.3
55.05513	25.2
57.03444	17.8
57.07071	3.9
65.03954	4.5
67.05508	83.8
69.03439	2.4
69.07072	63.5
71.04993	6.2
79.05154	1.7
79.05496	64.8
81.03426	36.0
81.07061	100.0
82.07416	2.6
83.04982	16.5
83.08614	13.8
85.06545	4.2
91.05482	72.4
93.07047	63.3
95.01342	25.3
95.04987	21.2
95.08608	56.6
97.06532	28.8
97.10173	5.6
98.22531	4.3
103.05476	2.7
105.04500	3.1
105.07037	90.1
106.07372	1.8
107.04966	43.7
107.08607	26.1
109.06509	17.4
109.10168	13.7
111.04434	2.9
111.08083	5.7
115.05468	4.4
117.07029	25.0
118.07380	1.9
119.08588	45.6
121.06477	9.3
121.10145	14.9
123.04417	4.8
123.08087	10.3
123.11710	3.4
125.09589	2.3
129.06987	3.9
131.08574	34.5
133.06471	2.4
133.10138	56.4
135.08092	4.8
135.11742	15.8
137.09682	2.4
139.07521	2.9
141.07002	4.0
143.08562	7.0
144.09296	2.3
145.06509	6.1
145.10107	26.9
147.11702	22.7
149.09622	11.6
149.13278	9.4
151.11243	4.1
157.10161	6.2
159.08044	3.7
159.11690	23.1
161.13246	10.4
163.11194	8.0
165.09192	2.5
169.10114	5.0
171.11780	4.2
173.13298	4.8
175.14772	2.4
177.12773	9.6
179.14311	30.0
180.14771	2.9
183.11708	2.2
187.11206	9.8
205.12231	2.1
229.19566	3.0
241.14316	2.7
247.20627	5.4
255.81154	2.6
257.18958	7.2
275.20062	62.4
276.20370	3.8
349.19998	4.5
349.23666	28.4
350.24225	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01878	7.8
55.05514	24.1
57.03444	17.4
57.07085	3.0
64.77434	1.0
65.03938	2.0
66.69292	1.1
67.05507	37.6
68.05853	1.1
69.03445	3.2
69.07077	22.1
71.05004	3.2
79.05499	37.4
79.05976	1.9
81.03438	3.1
81.07059	52.0
82.07430	1.5
83.04983	9.2
83.08625	10.1
85.06560	2.8
91.05484	37.0
93.07050	38.1
94.07389	1.3
95.04983	11.4
95.08615	26.5
97.06541	7.8
97.10168	4.1
98.22532	1.5
99.04398	1.2
103.05487	1.2
105.04559	1.6
105.07033	40.9
105.73993	1.1
106.07396	1.5
107.04953	13.4
107.08606	26.5
107.09299	2.2
109.06528	19.9
109.10150	13.2
111.08085	4.4
115.05377	1.7
117.07033	12.6
119.05119	1.2
119.08587	23.4
121.06516	13.7
121.10143	17.1
123.08081	8.9
123.11733	4.8
125.09682	1.7
129.07034	4.0
131.08580	25.1
133.06519	3.6
133.10138	23.2
135.08058	9.4
135.11711	7.0
137.09615	3.9
141.06995	1.7
143.08528	5.1
144.09435	1.1
145.06511	3.0
145.10126	19.2
147.08046	5.1
147.11694	16.1
149.09645	8.9
149.13258	4.6
151.11189	6.9
155.08586	3.1
157.10175	3.6
159.08109	4.2
159.11684	11.7
161.09694	4.9
161.13303	3.6
163.11205	12.1
163.14915	1.9
165.12735	2.1
169.07655	1.2
169.10159	2.6
171.11755	3.1
173.09660	3.0
173.13243	8.9
175.11169	2.9
175.14832	1.9
177.12788	3.5
183.11703	3.0
185.13393	1.1
187.11212	2.6
187.14848	2.2
189.12726	1.3
191.14288	5.4
197.13306	3.1
201.12753	2.6
201.16508	1.6
207.13849	4.1
211.14859	1.2
213.16307	1.6
215.17970	1.7
219.13841	3.1
229.19589	3.9
233.18874	2.2
239.18079	6.6
247.20525	5.7
254.51682	1.0
257.19031	17.9
258.19373	1.7
275.20078	100.0
276.20468	6.9
293.21127	6.9
331.22766	1.7
349.19897	5.6
349.23749	32.4
350.24127	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75754	0.9
53.03944	5.3
55.01874	4.4
55.05272	1.3
55.05516	16.5
57.03439	9.8
57.07077	1.2
63.51116	0.7
64.15770	0.8
65.03942	1.8
67.05509	28.2
69.03428	1.7
69.07071	13.8
71.04998	2.7
71.08615	0.7
74.57024	0.9
79.05497	41.3
81.03435	4.8
81.07060	100.0
82.07417	2.7
83.04996	3.8
83.08627	10.0
85.06554	2.1
90.65462	0.7
90.66027	1.0
91.05484	23.6
93.07050	20.8
95.01426	0.8
95.04967	14.5
95.08610	18.5
97.06538	6.2
97.10185	2.9
97.75250	0.9
99.08105	1.9
103.05480	1.1
105.07035	24.4
107.04958	9.2
107.08598	15.9
109.06520	37.2
109.10159	6.7
111.08106	2.9
115.05482	1.0
117.07022	6.8
119.08588	19.4
120.08920	1.0
121.06518	4.6
121.10156	10.0
122.10385	0.9
123.08075	6.5
123.11715	3.1
125.09639	2.0
127.07676	0.8
129.07060	2.5
131.08569	11.3
133.06544	1.4
133.10144	15.0
135.08052	4.8
135.11694	5.5
137.09653	3.0
143.08580	2.0
145.10136	10.8
147.08054	1.6
147.11687	13.3
149.09624	8.5
149.13269	6.4
151.11200	2.1
157.10139	2.4
159.11659	8.1
161.09636	1.7
161.13245	3.4
163.11162	6.6
163.14864	3.5
165.12785	3.9
171.11710	2.3
173.09735	1.2
173.13304	3.7
175.11234	2.7
175.14833	1.2
177.12701	1.9
179.14331	2.6
183.11694	2.0
187.14871	1.1
191.14238	1.1
193.12260	1.8
205.12292	1.1
207.13794	1.3
219.13857	1.0
223.13303	1.1
229.19572	3.1
239.18037	2.4
247.20609	5.4
257.18930	6.2
273.34763	0.9
275.20068	39.8
276.20401	2.4
293.21146	1.9
349.23758	23.2
349.27451	0.8
350.24011	2.5
374.78976	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01868	6.6
55.05515	30.8
57.03447	13.3
57.07067	3.9
65.03935	2.3
67.05508	44.4
69.03416	2.6
69.07070	29.3
69.08678	10.8
71.04980	6.2
79.05496	52.6
79.48086	1.5
80.05843	1.8
81.03413	5.3
81.07062	100.0
83.04993	7.0
83.08622	18.5
85.06587	1.9
91.05486	51.6
92.05785	2.2
93.07051	63.7
95.04964	28.9
95.08607	41.8
97.06525	10.9
97.10199	3.8
99.08096	3.0
103.05475	2.8
105.04536	2.8
105.07034	68.8
105.61143	2.1
106.07330	2.3
107.04958	10.7
107.07872	2.4
107.08598	48.1
109.06527	35.1
109.10158	25.6
111.08086	3.7
115.05486	4.0
117.07022	19.6
119.08586	57.1
120.08919	2.2
121.06512	10.0
121.09304	3.6
121.10151	52.1
122.10438	2.0
123.08077	9.5
123.11723	9.0
124.64571	2.6
125.09671	3.9
128.06221	6.4
129.07021	11.9
130.07814	3.8
131.08569	31.9
133.07666	2.3
133.10136	37.7
135.08076	8.6
135.11713	15.7
137.09589	3.8
137.72917	1.6
141.06979	4.5
142.07768	6.9
143.08582	17.7
144.09311	5.7
145.06540	3.2
145.10135	42.0
147.08028	4.7
147.11714	22.3
149.09631	15.6
149.13263	6.1
151.11179	3.9
155.08565	6.9
156.09334	6.1
157.10115	25.2
158.10873	3.9
159.11714	21.6
161.09596	12.1
161.13246	8.1
163.11166	10.9
163.14827	2.9
166.27621	1.8
167.08562	3.1
168.09344	3.0
169.10077	11.5
170.10951	3.7
171.11674	14.4
173.09726	4.5
173.13277	13.2
175.11194	2.8
175.14862	6.6
179.08545	4.5
179.14258	2.9
181.10155	7.5
182.10854	2.5
183.11719	9.7
185.13258	7.1
187.11270	3.9
187.14859	10.3
189.12784	4.7
194.10881	4.4
195.11719	7.3
197.13306	11.2
198.14058	1.9
199.14833	5.3
201.12737	2.4
201.16460	2.9
209.13316	12.2
211.14825	6.0
213.12732	2.5
213.16284	2.5
219.11613	2.4
221.13374	2.9
223.14859	3.5
225.16397	2.8
227.14316	5.7
237.16222	3.3
239.14420	2.4
239.17876	7.2
247.20720	5.2
253.19415	2.5
257.18936	5.2
265.19580	4.3
266.20172	2.6
275.20117	34.1
276.20746	2.1
331.23959	4.6
349.24783	38.6
350.25427	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	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01873	6.5
55.05511	28.4
57.03436	7.3
57.07069	6.6
65.03955	5.9
65.28782	2.4
67.05508	54.6
67.05844	4.6
69.03428	5.1
69.07066	29.3
69.58128	10.7
71.04996	7.5
79.05494	51.0
79.05919	4.3
81.03426	6.3
81.07058	66.2
81.07529	3.6
83.04984	6.7
83.08615	13.9
85.06577	2.7
91.05485	66.3
93.07045	67.4
95.04974	36.6
95.08606	47.0
97.06523	14.3
103.05503	4.3
105.07030	100.0
106.07352	3.0
107.04974	8.5
107.08605	43.8
109.06528	14.7
109.10163	34.5
111.08096	4.0
115.05470	2.4
117.07019	20.4
119.04916	2.3
119.08585	78.6
121.06528	10.2
121.10139	64.5
123.08093	6.6
123.11714	13.6
128.06267	6.9
129.07025	11.8
130.07825	5.7
131.08560	44.8
133.07683	2.3
133.10129	43.2
135.08067	9.6
135.11696	18.8
137.09680	2.3
141.07016	7.2
142.07790	13.8
143.08582	22.8
144.09363	7.5
145.06462	3.3
145.10121	54.8
147.08035	7.8
147.11693	16.0
149.09642	12.0
149.13274	6.6
153.06972	3.0
155.08488	11.3
156.09322	9.7
157.10144	36.4
158.10864	5.5
159.08098	3.7
159.11688	23.2
161.09616	12.1
161.13278	10.4
163.11182	8.0
165.06981	2.9
167.08569	5.4
168.09398	4.6
169.10158	20.3
170.10919	5.3
171.11710	22.8
172.08870	2.5
172.12483	3.1
173.09666	6.9
173.13264	16.3
175.11201	5.2
175.14868	9.8
179.08580	9.1
179.14297	3.9
180.09389	3.0
181.10173	11.5
182.10907	5.5
183.11716	17.8
185.09702	4.3
185.13281	13.1
187.14835	17.6
193.10207	2.7
194.10957	6.8
195.11696	10.8
196.12448	7.0
197.13237	16.3
199.14859	11.8
200.15604	3.5
201.16396	2.8
207.11729	3.9
208.12379	3.7
209.13264	15.9
210.14001	3.3
211.14825	7.0
213.12796	2.9
213.16466	5.0
221.13226	4.5
223.14830	6.8
224.15486	2.9
225.16400	6.6
227.14342	6.8
237.16302	5.4
239.18013	7.0
251.17963	4.1
253.19698	3.2
255.17476	4.6
257.19012	4.0
265.19598	6.0
266.20221	3.5
275.20132	20.6
293.19009	5.4
322.32443	2.4
331.23975	5.0
349.25217	55.2
350.25409	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03954	0.4
55.01877	0.7
55.05516	6.5
57.03445	0.4
57.07067	1.6
60.63497	0.4
61.50564	0.4
67.05511	5.8
69.07069	11.1
71.04994	1.6
71.08630	0.6
73.06544	0.5
79.05499	4.8
81.07057	9.3
83.04969	0.9
83.08617	4.5
85.06512	0.6
88.07653	0.8
91.05481	2.0
93.07043	5.1
95.04962	0.9
95.08607	8.8
97.06530	1.6
97.10161	1.2
98.23380	0.9
99.08114	0.5
105.07032	3.0
107.08585	4.8
109.06521	12.2
109.10175	3.9
111.08093	1.7
114.53431	0.4
117.07029	0.8
119.08591	3.2
121.10132	3.6
122.07310	1.2
123.08069	66.6
123.11702	1.7
124.08414	1.3
125.09625	0.7
131.08572	0.9
133.10126	2.3
135.08054	5.6
135.11673	1.8
136.08829	0.4
137.09612	4.5
145.10138	1.0
147.11674	2.3
149.09616	1.4
149.13242	1.9
159.11665	1.3
161.13298	1.3
163.11205	0.8
165.12802	0.9
175.14766	0.4
177.12865	0.4
179.14308	8.5
181.12105	0.4
233.18915	0.6
275.20084	1.6
281.20941	0.6
289.25146	0.7
293.21106	17.6
294.21487	1.4
303.26843	0.8
307.22543	0.6
331.26242	3.2
349.27365	100.0
350.27670	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03942	1.1
55.01857	2.5
55.05278	0.9
55.05510	9.0
57.03440	3.4
57.07075	5.0
58.99762	0.7
63.56929	0.6
65.03938	1.0
67.05190	0.9
67.05508	12.9
69.03405	1.4
69.07069	9.4
71.04975	1.2
71.08624	3.2
71.27493	1.0
79.05498	11.4
81.03412	1.1
81.07062	17.2
82.07388	0.7
83.04989	3.2
83.08623	7.6
85.06567	1.5
88.07627	1.2
91.05482	9.3
91.64818	0.6
93.06461	1.0
93.07045	11.9
95.04971	8.3
95.08610	11.9
97.06519	2.5
97.10151	2.5
99.08067	2.5
103.05423	0.8
105.06374	1.1
105.07033	13.6
107.04952	3.9
107.08614	9.6
109.06524	20.8
109.10125	5.2
111.08070	2.5
117.07014	4.4
119.08583	11.3
121.06516	2.2
121.10139	4.9
122.07293	2.3
123.08076	26.2
123.11630	1.4
125.09673	1.2
129.07021	1.2
131.08569	5.4
133.10135	8.8
135.08073	4.9
135.11671	2.4
137.09589	1.9
143.08597	1.4
145.10126	9.3
147.11711	4.2
149.09615	4.7
149.13243	1.8
151.11325	0.8
157.10139	1.2
159.11719	5.4
161.09589	0.8
161.13297	2.1
163.11186	5.8
163.14839	1.0
165.12758	2.6
169.10107	1.5
171.11732	1.2
173.13278	1.5
175.11172	1.0
177.12752	1.1
179.14317	100.0
180.14676	3.8
183.11681	1.2
187.11162	1.1
187.14711	1.2
189.12799	1.0
193.15898	2.5
197.13210	0.7
205.12282	1.5
211.14809	1.0
229.19518	1.4
233.18976	0.9
239.17957	2.1
245.38023	0.8
247.20702	0.9
257.18942	4.1
275.20099	20.5
276.20541	1.4
293.21146	1.3
331.26346	2.8
349.23679	11.5
349.27429	77.1
350.24042	1.3
350.27762	5.5
351.63293	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01882	0.7
55.05515	6.9
57.03442	0.7
57.07069	2.7
67.05505	6.0
69.07069	11.0
69.10138	1.7
69.10563	1.9
71.04986	1.7
71.08630	1.3
73.06558	0.9
74.83788	0.5
79.05496	5.2
81.07054	10.6
82.07417	0.5
83.04961	1.3
83.08620	4.9
83.69424	0.5
85.06561	0.9
89.06023	0.6
91.05496	2.8
93.07041	7.0
95.04954	0.7
95.08607	9.5
96.75252	0.5
97.06532	2.2
97.10178	0.7
99.08104	0.7
105.07007	3.2
107.08599	5.8
109.06506	10.7
109.10175	3.7
111.08099	2.1
117.06984	0.6
119.08584	4.7
121.06512	0.9
121.10140	5.4
122.07291	1.1
123.08073	72.3
123.11671	1.1
124.08411	1.9
125.09578	0.7
131.08574	1.4
133.10144	3.0
135.08054	5.3
135.11676	2.3
136.08751	0.7
137.09605	5.0
137.13235	0.7
145.10127	1.3
147.11679	2.6
149.09607	1.5
149.13274	2.2
156.98293	0.5
159.11685	2.0
161.13260	1.7
163.11179	1.0
165.12830	1.4
167.14351	0.7
175.14845	0.6
177.12711	0.7
179.14307	12.8
193.15854	0.6
231.15968	0.5
233.19043	0.8
264.14502	0.6
264.17526	0.5
275.20084	1.8
289.25455	0.6
293.21109	17.4
294.21420	0.7
307.22540	1.1
307.26199	0.5
331.26324	4.2
349.27365	100.0
350.27621	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	349.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.2
57.07076	40.9
69.07059	2.3
69.60756	3.8
69.61065	0.6
71.08630	22.9
72.04527	1.3
73.06552	3.0
79.05470	1.0
81.07040	1.9
83.08613	1.6
85.10184	19.9
87.04462	0.9
89.06031	100.0
90.06397	1.7
91.05505	1.3
91.07590	0.8
93.07076	1.4
95.08595	1.6
97.10181	2.2
97.67133	0.7
98.22649	0.8
99.11739	2.4
105.07021	1.7
105.51935	0.6
107.07078	7.4
107.08591	1.5
114.31934	0.8
117.07043	1.0
117.09167	1.1
119.08575	1.7
121.10162	1.7
130.08664	1.5
131.08595	1.0
133.08600	33.5
133.10132	1.5
134.08960	0.8
135.08055	0.9
145.10165	1.6
151.09674	4.1
155.17964	1.3
157.10144	1.5
177.11237	6.1
195.12286	18.6
196.12614	1.3
198.14938	2.4
219.28571	0.7
247.38953	0.7
349.23602	1.7
349.29480	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	350.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16099	6.0
69.31744	34.4
71.40549	5.3
98.22691	12.9
101.44661	6.1
117.03465	6.7
121.06507	7.2
169.81900	5.9
189.06592	11.5
290.72961	6.0
350.06342	100.0
351.06555	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	350.0638
Annotation	N-(5-Phospho-D-ribosyl)anthranilate
Peak:m/z	Relative Intensity
64.97091	2.8
69.42580	16.9
70.06591	4.8
70.07868	2.9
84.08141	3.1
87.05290	3.5
93.07047	4.1
120.08182	3.0
121.06533	10.2
124.58461	2.9
147.04381	4.8
151.64963	3.0
153.05531	5.5
214.13094	3.1
350.06335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	8.2
69.57416	7.6
69.57835	14.5
73.19143	4.2
77.78244	5.0
81.03427	9.7
85.02900	30.1
97.02892	8.4
98.23266	7.6
107.01313	9.8
109.02882	21.9
125.02408	9.5
127.03928	49.7
135.00862	4.7
153.01840	44.6
156.19388	5.3
171.02890	100.0
263.71558	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	350.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.3
58.17699	1.1
62.02163	1.0
63.89103	1.1
71.28059	1.7
84.08120	1.2
94.17179	1.1
99.34730	1.1
105.06998	1.4
116.00252	2.0
120.08073	2.2
130.01698	1.2
130.06528	1.4
153.01784	1.4
156.03349	1.8
172.02780	1.9
173.12816	2.0
174.04451	1.4
181.02940	2.2
199.03944	6.6
217.04991	4.1
237.05487	1.3
253.05902	6.6
255.04219	1.2
255.06479	6.2
350.11133	100.0
351.11166	5.7
368.11334	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02322	7.0
69.57572	26.4
72.08170	26.7
81.07054	7.7
86.09708	45.4
91.05445	7.5
95.05038	7.2
95.08601	12.9
101.46421	8.0
120.08122	100.0
191.42055	7.4
191.76889	7.1
199.73447	6.5
219.14941	19.8
336.81271	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46214	7.1
67.05518	8.7
69.03450	13.5
69.07054	20.2
69.09026	64.6
79.05512	10.7
81.07070	22.3
83.04996	9.0
85.02905	17.1
91.05486	19.3
93.07053	100.0
95.08606	17.2
97.02924	8.5
97.06530	10.5
98.23313	16.1
105.07063	7.9
107.08620	55.8
109.10199	8.8
135.11719	59.4
137.13353	8.8
145.05032	12.8
153.12752	19.8
159.10052	9.7
280.06372	9.2
290.87479	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	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38625	51.1
63.56505	56.4
65.53887	61.2
69.07059	86.9
71.29816	85.4
77.42771	66.3
79.05495	69.8
81.03448	69.8
81.07072	73.3
85.02910	60.0
90.97366	51.0
93.07050	69.2
105.07037	100.0
109.10181	87.4
135.06618	50.8
135.11684	57.0
153.12764	88.9
158.61964	52.9
178.05043	84.6
260.23407	54.3
264.68787	72.0
311.03726	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00198	3.7
63.90157	4.3
68.09574	3.8
69.43674	14.8
85.65380	4.8
95.37646	3.9
351.06897	100.0
352.07111	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	351.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48351	1.1
55.01882	3.8
55.05504	1.7
59.05023	1.9
67.05518	2.3
69.03427	2.7
69.07074	38.2
71.28454	1.8
72.04522	7.7
73.06561	4.1
79.05515	1.4
81.07056	5.3
84.04530	2.3
86.09712	5.8
91.05502	3.1
93.07050	4.3
95.04981	1.5
95.08604	2.8
97.06530	4.1
100.03986	100.0
105.07041	3.5
106.06596	1.4
107.08605	3.7
107.88590	1.2
109.10139	1.7
112.03995	2.4
115.07606	6.0
119.04943	2.7
119.08567	2.3
121.06532	2.8
121.10201	2.5
123.08087	1.5
126.05574	3.0
132.04424	1.3
133.10150	2.5
133.84384	1.2
137.05949	1.5
137.09592	1.5
144.08127	2.6
145.10107	2.1
146.06023	1.7
147.04460	5.3
147.11710	2.1
148.07515	1.2
167.10742	1.7
168.10214	58.0
169.10564	3.7
172.07651	2.9
174.05519	12.3
176.07114	1.6
186.11307	1.4
202.05000	26.9
211.03273	1.3
214.10757	82.5
215.11093	3.1
220.06096	11.1
249.12393	4.5
265.08560	1.5
319.09683	1.4
333.13193	1.4
351.09100	1.9
351.15298	2.6
351.21292	2.8
351.29440	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	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	30.7
56.93799	13.3
56.96566	45.7
57.03446	17.3
57.07087	19.7
63.35350	14.7
67.05523	72.0
69.07075	49.4
71.95278	12.5
79.05501	72.4
80.86759	15.1
81.07071	86.9
82.25465	13.7
83.08656	16.6
84.47959	13.6
85.10200	20.9
91.05479	70.6
93.07053	96.6
95.04961	13.6
95.08604	74.5
105.07064	73.9
107.08611	58.8
109.06530	35.1
109.10156	18.7
113.09656	29.3
117.07053	17.3
119.08596	55.8
121.10175	39.6
123.11835	14.8
131.08617	25.0
133.10181	61.8
135.08296	15.5
135.11702	43.9
145.10104	32.4
147.11696	49.0
149.13316	22.9
151.25772	13.7
159.11655	20.8
160.81900	13.8
161.13275	43.9
163.14900	16.2
165.12811	41.1
171.11790	30.9
175.70972	15.3
190.69801	15.4
199.06516	22.3
213.07985	38.9
229.07562	53.9
231.09149	34.2
241.19586	33.7
247.08516	65.7
250.74828	14.1
259.20645	91.7
277.21829	22.4
289.21527	25.6
333.17242	21.6
351.18631	46.2
351.25278	100.0
352.25574	20.7
369.19125	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	23.0
55.05509	30.3
57.03440	33.1
62.07876	7.0
67.05511	98.1
69.07067	24.9
70.73754	7.5
71.08636	39.5
79.05495	83.8
81.03438	8.6
81.07059	98.7
83.04991	15.2
83.08613	28.3
86.35399	6.9
91.05485	48.7
93.07049	100.0
93.92264	7.1
95.05016	9.8
95.08606	54.6
95.51175	6.8
97.06544	9.1
97.10181	14.3
98.97530	8.9
99.08100	25.5
105.07021	47.9
107.08600	57.3
109.10170	29.6
111.08076	24.7
111.71734	9.8
119.08616	45.1
121.10176	47.6
121.96946	7.8
129.07014	16.5
131.08563	18.5
133.10161	40.0
135.11693	44.3
137.06055	15.2
145.10110	17.9
147.11708	39.6
149.13264	21.8
151.11189	13.6
159.11739	8.5
161.13260	26.2
165.12898	10.1
171.11816	8.6
177.05362	8.1
177.12709	9.1
179.14276	54.5
182.06017	9.2
187.14780	10.3
211.09612	11.4
241.19540	9.5
259.20584	51.7
277.21594	38.2
333.17526	25.5
351.17740	35.4
351.21576	23.8
351.24988	58.8
352.25546	9.4
369.19611	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	65.3
55.05501	44.6
57.03427	20.0
57.07069	20.4
67.05507	75.1
69.07083	35.5
69.79610	32.6
71.08628	21.1
79.05501	53.3
79.40011	7.1
81.07065	92.7
83.04993	20.4
83.08621	30.2
85.10175	12.0
91.05480	45.0
93.07050	68.1
95.04979	22.1
95.08617	66.0
97.06544	17.3
98.23270	10.3
99.08103	20.4
105.07015	36.3
107.08610	33.5
109.06532	15.5
109.10155	17.1
111.08057	46.6
113.09637	10.7
119.08592	29.8
120.08122	14.1
121.10168	26.1
123.11735	11.8
131.08583	18.2
133.10173	37.5
135.11713	21.9
137.05998	17.0
143.08626	8.6
145.10100	11.5
147.11731	26.8
149.09676	8.9
149.13251	16.3
151.11214	20.3
157.48520	7.6
158.09991	23.1
161.13235	21.3
163.11185	8.0
165.12762	25.4
171.11870	12.7
179.14333	19.2
229.07497	15.4
231.09113	8.4
231.20821	7.4
241.19536	15.0
249.22275	7.1
259.20523	22.4
277.21683	100.0
330.95135	7.3
351.18607	15.9
351.25293	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58067	0.4
54.11890	0.4
56.96567	0.8
60.38245	0.4
69.74893	1.0
69.75305	1.3
70.77074	0.5
77.13860	0.4
77.43044	0.4
92.11681	0.4
125.86710	0.4
126.26389	0.4
145.14029	0.6
154.24344	0.4
241.11136	1.0
247.25603	0.5
253.11038	2.6
259.12302	1.2
271.12247	2.6
281.13602	0.8
283.26196	0.5
286.14078	0.5
333.20404	0.7
339.04733	0.5
351.21420	100.0
352.21786	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
58.57108	0.4
62.71752	0.5
68.19546	0.4
82.48163	0.4
83.66117	0.5
91.21708	0.5
93.35622	0.5
114.90118	0.5
118.92725	0.4
184.86914	0.4
221.42992	0.6
254.64487	0.4
281.13519	0.7
333.20404	7.9
351.21436	100.0
352.21771	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	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.15511	0.6
67.05519	0.7
69.07070	0.7
71.30479	0.9
81.03397	0.6
81.07041	1.6
91.05479	0.7
93.07048	1.0
95.08591	1.0
107.08590	1.0
107.80409	0.6
109.10206	0.6
113.31104	0.5
125.66936	0.5
128.12675	0.7
145.10118	0.6
147.04416	1.0
151.03879	0.6
151.11136	0.5
189.09225	1.4
204.05826	0.7
219.08078	0.7
231.08057	1.1
247.07562	1.2
248.08182	0.9
259.07617	0.7
262.06268	0.8
276.07880	1.4
277.08554	0.8
281.13910	0.6
284.22192	0.5
290.09317	1.0
291.10144	1.7
301.08331	0.6
307.09589	0.8
319.09616	3.2
321.11093	0.7
333.20267	0.9
336.09943	1.0
351.08530	2.4
351.12292	5.0
351.21429	100.0
352.12512	0.9
352.21677	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	351.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05508	3.1
55.05736	0.6
57.03432	2.2
57.07082	0.7
67.05505	9.7
69.03437	0.8
69.07071	4.0
69.82094	2.7
71.04965	0.9
71.08636	1.5
79.05494	12.0
81.07057	11.6
83.08617	1.9
85.06554	1.0
91.05482	9.8
93.07050	17.1
95.04975	1.8
95.08613	7.0
97.06510	1.1
97.10155	1.0
99.08072	1.3
105.07035	9.6
107.08598	9.8
109.06540	0.8
109.10180	2.5
117.07034	1.6
119.08582	7.6
120.08948	0.8
121.10157	7.6
123.11704	0.9
129.07007	1.5
131.08568	2.9
133.10133	7.0
135.11691	7.8
143.08574	1.8
145.10136	3.6
147.11696	8.2
149.13307	5.0
154.32898	0.7
157.10141	2.0
159.11717	2.8
161.13275	6.0
163.11272	1.4
163.14847	2.2
164.43518	0.7
171.11755	2.4
173.13246	1.7
175.11153	0.9
175.14839	3.8
177.12642	0.7
179.14418	2.0
185.13313	2.4
199.14911	1.6
203.14308	0.9
231.17567	0.8
231.21085	1.1
241.19493	6.0
253.14063	6.5
259.20569	14.1
277.21674	2.7
309.53619	0.9
333.24271	1.1
351.21420	100.0
351.25119	6.8
352.21854	6.6
352.25681	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.34322	1.1
67.05492	3.9
71.29111	1.1
79.05482	2.7
81.07045	4.6
91.05466	3.9
93.07030	3.8
95.04961	1.0
95.08605	2.7
105.07024	4.4
107.08561	2.8
117.07006	1.3
119.08585	3.2
121.10147	2.0
133.10139	2.0
135.11710	1.5
143.08553	1.5
145.10112	1.2
147.11685	2.9
159.11662	1.5
161.13167	1.5
171.11682	1.0
191.37099	1.0
208.24812	1.1
259.20593	3.1
259.47562	1.0
279.20078	1.0
333.16647	2.0
333.20389	26.3
333.24344	0.9
334.20538	2.1
351.21396	100.0
352.21756	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	351.253
Annotation	3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one
Peak:m/z	Relative Intensity
53.03952	1.5
55.01876	13.4
55.05516	13.7
57.03436	2.1
57.07063	4.1
65.03961	1.3
65.81227	1.0
67.05507	22.2
69.03437	1.8
69.06691	1.1
69.07071	21.5
71.04996	3.3
71.08633	8.2
79.05494	15.9
81.07059	29.4
83.04993	3.2
83.08622	5.6
85.06549	2.6
87.77183	1.0
91.05482	15.0
93.07048	22.9
95.04970	17.7
95.08612	20.2
97.06522	12.7
97.10172	2.7
99.08089	4.1
105.07016	14.1
107.08597	13.7
109.06522	71.1
109.10162	6.6
110.06843	1.6
111.04446	1.1
111.08058	1.5
116.02771	1.0
117.07008	4.2
119.08588	13.5
121.06511	15.5
121.10144	8.7
123.08072	5.5
123.11727	2.1
131.08569	8.7
133.10152	6.0
135.08095	6.7
135.11697	3.9
137.09615	4.3
139.11230	1.2
143.08553	2.0
145.10115	8.6
147.08037	1.0
147.11707	6.1
149.09641	2.9
149.13290	2.3
151.11211	1.3
153.12712	1.3
157.10194	2.1
159.11705	4.5
161.09586	1.0
161.13281	2.4
163.11176	9.9
165.12753	63.4
166.13142	1.3
169.10143	1.3
171.11755	1.7
173.13307	6.7
175.11140	2.3
175.14828	1.5
177.12769	2.4
179.14337	2.1
187.11293	1.1
191.14345	7.9
197.13356	2.4
201.12802	1.1
221.15355	4.7
228.13828	2.4
229.14270	1.8
233.15392	4.0
243.21140	1.5
261.22144	9.6
271.20691	2.9
289.21625	73.2
290.21954	4.0
295.19064	7.1
301.12006	1.0
307.22641	2.0
333.24405	4.8
351.25305	100.0
352.25784	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	26.8
57.03432	17.0
64.57806	8.4
66.08189	10.4
67.05503	67.2
69.03378	24.6
69.03789	75.2
69.07073	15.2
79.05496	78.1
81.07066	58.7
91.05000	12.5
91.05481	68.6
93.07043	100.0
95.08605	45.2
105.07036	63.9
107.08579	75.6
109.10120	14.6
112.81169	10.0
117.07001	15.6
119.08595	73.2
121.10165	62.7
121.17000	8.8
131.08574	31.2
133.10143	43.3
135.11734	46.5
140.99092	8.8
145.10153	19.4
147.11664	52.1
149.13272	33.9
159.11717	23.6
161.13231	50.2
165.89833	9.2
171.11763	27.5
175.14847	19.3
185.13258	15.5
241.19556	29.6
259.20621	82.3
277.21671	16.7
299.63385	9.1
351.08710	12.4
351.21469	21.6
351.25375	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39723	1.7
53.03954	5.4
55.01872	6.7
55.05518	18.4
55.67197	1.9
56.89879	2.0
57.03429	3.2
57.07079	4.7
65.03937	2.4
67.05510	40.0
69.03407	1.9
69.07066	18.0
71.05003	4.3
71.08638	4.2
79.05064	4.2
79.05497	47.1
81.03432	2.3
81.06586	3.6
81.07063	53.2
83.04977	7.6
83.08628	6.7
85.06544	4.9
91.05488	42.5
91.06019	3.8
93.07045	59.7
95.04967	13.3
95.08611	35.3
95.09171	3.0
97.06538	11.3
97.10167	2.8
98.23463	3.5
99.08132	4.1
105.07031	48.4
106.07379	3.1
107.08596	29.5
109.06525	39.0
109.10155	16.5
110.06815	2.6
111.08061	4.3
113.09676	2.7
117.07022	10.0
119.08585	39.5
121.06506	10.9
121.10152	29.9
123.08079	5.1
123.11720	4.2
129.07019	5.8
131.08575	18.8
133.10138	33.8
135.08095	6.0
135.11691	22.0
137.09618	3.3
143.08566	6.7
145.10155	17.2
147.11688	37.5
147.12775	3.2
149.09648	6.1
149.13274	17.8
157.10162	9.3
159.11726	17.7
161.09717	2.0
161.13286	25.3
163.11160	7.2
163.14818	5.1
165.12755	35.7
171.11749	12.6
172.12225	3.5
173.13316	10.9
175.14803	10.5
177.12805	3.3
179.14473	2.2
185.13303	8.1
187.14929	3.9
191.14359	6.5
199.14888	5.5
213.16440	4.6
231.21101	5.4
241.19460	20.7
259.20584	63.2
260.20959	2.5
261.22116	4.9
277.21539	4.8
289.21622	39.2
295.19055	2.6
333.24323	4.9
337.57843	2.1
351.25360	100.0
352.25690	8.8
359.00571	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	12.7
55.05515	17.0
57.07069	6.0
61.11919	1.8
61.17175	1.9
67.05512	24.0
69.03420	2.2
69.07071	23.7
71.04980	3.1
71.08630	6.4
75.56036	1.6
79.05494	15.3
81.07062	38.5
83.04988	3.7
83.08615	5.9
85.06555	4.2
89.06020	3.8
91.05490	14.4
93.07047	29.9
95.04976	18.7
95.08613	27.0
97.06517	15.8
97.10172	4.7
98.22540	4.1
99.08106	3.3
105.07034	18.5
107.04929	3.3
107.08595	13.0
107.57849	2.3
109.06522	71.3
109.07259	4.1
109.10162	8.1
110.06821	2.2
117.07010	4.8
119.08589	13.3
121.06506	14.0
121.10141	9.5
123.08070	7.8
123.11732	2.5
131.08571	8.3
133.10132	9.6
135.08067	7.9
135.11664	4.5
137.09630	5.5
139.31818	2.0
143.08498	2.2
145.10127	7.5
147.11699	6.9
149.09653	5.5
149.13246	2.3
159.11745	5.2
161.13231	4.5
163.11150	13.2
165.12759	50.5
173.13297	5.8
187.14809	2.4
189.12743	2.5
191.14331	6.1
205.15930	2.9
221.15367	5.6
229.14362	3.1
233.15337	5.5
239.03311	2.0
261.22128	7.3
271.20694	2.3
289.21613	86.4
290.21829	4.5
295.19040	7.0
307.22806	2.3
333.24423	3.6
351.25311	100.0
352.25760	9.0
359.48285	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85239	2.1
53.03956	6.2
55.05517	21.6
57.03437	8.9
57.07073	4.9
67.05511	54.6
67.05879	2.7
69.07076	21.0
71.04998	3.4
75.04500	4.2
79.05500	73.4
81.03445	3.7
81.07063	67.9
83.08628	9.5
85.06546	5.2
91.05490	58.7
93.07051	91.5
95.04993	6.4
95.08617	42.1
96.08968	2.4
97.06509	3.6
97.10139	2.5
97.69514	2.1
98.23366	4.8
99.08108	5.3
105.07039	59.6
107.08606	64.3
109.06528	5.9
109.10159	13.0
109.97581	2.4
111.08097	3.8
113.09667	4.2
117.07017	14.5
119.07779	4.3
119.08595	60.9
119.09449	3.6
121.10146	47.9
122.10486	2.3
123.08076	2.5
123.11716	5.1
125.09711	2.6
129.06995	11.7
131.08571	23.6
133.10139	49.7
135.08000	3.0
135.11702	50.9
137.06015	5.9
137.09595	4.4
143.08557	13.5
145.10124	20.7
147.11690	49.0
149.09651	4.2
149.13264	32.8
151.11208	4.4
157.10107	10.6
159.11702	22.5
161.13287	43.9
163.11176	3.2
163.14841	8.8
171.11665	15.8
173.13264	13.2
175.11266	4.3
175.14862	17.6
177.12750	4.4
177.16403	2.5
185.13240	17.0
187.14894	3.0
187.71385	2.3
189.16457	2.3
199.14774	10.3
203.14386	4.6
213.16446	5.5
217.19586	4.2
231.17442	3.9
231.20998	10.0
241.19502	44.5
259.20602	100.0
260.20944	7.0
277.18442	3.5
277.21600	19.0
333.20255	5.9
333.24298	9.8
351.21393	50.7
351.25339	61.3
352.21854	2.8
352.25754	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75990	1.0
52.94404	1.1
53.03941	4.3
55.01868	2.1
55.05516	16.8
56.76132	1.2
57.03435	6.9
57.07063	5.0
62.06047	1.3
65.03938	3.0
65.18095	1.1
67.05508	53.3
69.03987	7.9
69.04389	1.6
69.07070	16.2
71.04974	4.0
71.08619	2.6
74.74187	1.3
75.04478	2.4
77.03892	1.3
79.05495	70.4
81.07059	57.5
82.07396	2.1
83.04984	2.7
83.06111	1.1
83.08611	8.6
83.73872	1.1
85.06535	5.6
91.05484	65.8
92.05815	2.6
93.07046	86.7
94.07372	1.8
95.04966	6.1
95.08607	36.7
95.20796	1.3
97.03902	1.1
97.06506	3.4
97.10201	2.5
98.56872	1.1
99.08067	6.5
103.05494	1.8
105.04542	1.6
105.07034	66.8
106.07343	2.5
107.08594	46.2
108.08939	1.8
108.46081	1.3
109.06490	3.0
109.10157	14.1
111.08087	2.8
113.09660	3.2
117.07005	13.0
119.08583	63.3
120.08916	2.7
121.10149	38.2
123.08057	1.9
123.11723	2.4
128.06239	2.3
129.07004	12.1
131.08575	27.8
133.10133	54.8
135.08037	2.8
135.11687	36.4
136.12016	1.3
137.09660	2.5
143.08569	14.0
145.10117	24.9
147.08067	2.3
147.11685	53.9
148.12094	1.9
149.09607	3.2
149.13264	19.2
150.13583	2.1
151.11224	2.6
157.10159	11.1
159.11705	21.2
161.09621	2.6
161.13257	40.8
162.13535	1.6
163.11163	4.8
163.14833	9.0
165.12784	2.8
171.11697	15.2
173.13261	12.3
175.11194	3.7
175.14835	20.7
177.12799	2.3
179.14336	2.1
185.13252	13.0
187.14790	3.9
189.12723	2.1
189.16335	1.8
191.14340	1.8
196.52771	1.6
199.14835	7.1
201.16393	1.3
203.14282	2.3
213.16441	6.6
215.17940	2.2
217.19531	4.1
231.17403	4.2
231.21080	10.0
241.19507	37.5
242.19878	3.2
251.12607	1.6
259.20584	100.0
260.20966	6.7
261.22311	1.3
277.21597	6.5
281.22363	1.2
333.17236	1.5
333.24164	3.2
341.43759	1.4
351.21356	12.3
351.25266	55.0
352.25589	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.0
54.41714	2.1
55.01878	75.6
55.05516	49.4
56.05025	2.1
56.96588	2.2
57.03447	17.7
57.07072	11.9
65.03958	3.6
67.05508	57.9
69.03422	4.6
69.07069	25.5
70.15518	3.5
70.15873	5.3
71.04990	5.7
71.08643	11.9
79.05499	33.2
81.03396	3.8
81.07062	66.5
83.04987	16.5
83.08624	27.2
85.01164	2.2
85.10181	19.2
91.05489	30.4
93.07054	42.8
95.04989	14.6
95.08060	3.0
95.08617	43.8
95.09185	1.5
97.06551	12.4
97.07063	2.0
97.10167	5.2
99.08086	10.8
100.11270	7.0
105.07035	26.5
105.79675	2.1
107.04947	6.3
107.08591	22.5
109.06533	12.1
109.10162	17.6
111.08086	81.1
113.09659	15.9
116.05346	5.4
117.07018	4.7
119.08612	14.5
120.08116	14.6
121.10178	18.2
123.08059	6.7
123.11715	8.3
129.06961	4.0
131.08583	4.9
133.10129	28.0
134.10468	2.6
135.11710	14.3
137.09669	3.3
137.13193	3.6
139.11176	2.6
141.07326	2.6
143.08600	3.3
145.10133	5.0
147.11714	14.6
149.09648	6.0
149.13300	10.9
151.11168	8.2
151.14827	3.4
153.12724	5.9
157.10196	2.5
158.10016	17.5
159.11696	4.8
161.13246	12.2
163.11168	6.2
165.12808	20.3
166.08611	4.1
171.11803	7.3
175.11253	3.8
175.14819	3.4
179.14322	11.8
185.13293	4.1
189.12679	3.1
193.15953	2.7
217.19669	2.5
220.17163	2.2
231.21138	5.6
235.16829	3.1
241.19580	4.5
249.22195	15.7
259.20584	10.2
277.21634	100.0
278.22079	5.4
295.22681	3.9
351.17477	8.7
351.25394	40.0
352.25580	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.7
57.03416	27.2
57.07073	9.2
63.87025	8.5
64.91450	9.5
66.63003	9.0
67.05513	52.8
69.07078	24.6
71.08643	60.8
71.30135	10.5
79.05492	47.5
81.07059	61.4
83.08633	13.8
86.18230	9.1
91.05489	41.4
93.07051	74.6
95.04951	11.6
95.08598	44.5
99.08089	41.0
105.07050	29.0
107.08592	26.8
109.10180	26.5
119.08582	22.2
121.10141	29.8
133.10236	14.4
135.11690	39.1
151.11157	19.9
161.13249	22.5
163.11160	14.1
171.12090	10.1
179.14319	100.0
203.34488	10.1
259.20590	13.7
264.00418	11.3
277.21600	29.9
289.21487	13.0
351.21393	14.8
351.25229	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.4
55.05499	14.4
57.03427	6.4
61.80090	5.7
67.05515	31.2
69.07062	20.4
69.58629	24.2
70.15890	4.8
71.08629	41.6
72.04499	7.3
79.05502	27.9
80.94872	5.5
81.07059	31.6
83.04987	6.8
91.05479	22.9
93.07054	36.9
95.04977	23.0
95.08632	25.7
97.06518	10.8
99.08089	29.5
105.07012	23.2
107.04999	5.7
107.08598	18.9
109.06504	32.6
109.10152	10.0
119.08576	12.0
121.06487	5.5
121.10135	15.0
123.08055	6.2
125.03802	5.2
131.08565	11.2
133.10204	7.5
135.07921	5.1
135.11719	15.0
137.09619	12.5
147.11665	7.2
149.13286	10.1
151.11157	10.1
161.13274	6.0
163.11171	10.2
165.12752	100.0
177.92714	4.8
179.14297	40.8
191.14297	10.2
236.20041	7.8
277.21686	10.7
289.21652	32.9
333.24271	7.9
334.27396	9.5
351.21460	11.3
351.25342	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.6
53.03939	5.4
55.01880	3.4
55.05515	21.0
56.96557	3.0
57.03439	9.0
57.07080	4.6
65.03967	2.5
67.05511	61.5
67.05882	2.9
69.07076	19.8
69.62702	8.6
71.04976	4.0
71.08608	2.4
79.05495	88.0
81.03410	2.4
81.07058	67.8
81.28557	1.8
83.04987	2.6
83.08627	8.7
85.06538	3.8
85.10162	1.9
91.05484	60.1
92.05824	2.4
93.07045	100.0
94.07368	3.1
95.04971	8.9
95.08611	45.6
97.06545	4.6
97.10136	3.1
99.08114	2.7
101.06052	1.9
103.13214	1.6
105.04552	1.8
105.07030	66.0
107.05022	1.9
107.08598	60.2
108.08908	1.7
109.06551	4.1
109.10150	14.4
111.08100	1.7
113.09658	6.6
117.07000	8.8
117.71071	1.5
119.08577	57.5
120.08887	1.9
121.06518	2.1
121.10151	48.8
123.08053	3.0
123.11715	4.6
125.09602	1.7
125.30090	1.5
128.06229	2.3
129.07019	6.5
131.08571	21.6
133.10136	53.7
134.10451	3.1
135.08047	4.0
135.11700	53.4
135.12704	3.7
136.12056	1.8
137.09604	3.2
137.28847	1.8
143.08556	10.7
145.10127	22.7
147.11694	49.8
148.12108	2.8
149.09636	4.6
149.13257	27.9
151.11171	3.8
157.10172	9.7
158.10541	1.7
159.11708	20.9
161.13251	40.9
163.11238	4.2
163.14868	10.3
165.12758	6.1
171.11713	15.2
173.13313	10.8
175.11150	2.7
175.14766	16.5
177.12849	2.7
179.14360	1.8
185.13237	13.9
187.14825	3.6
189.12643	2.1
199.14815	7.4
201.16428	2.0
203.14250	3.1
211.33827	2.0
213.16425	5.8
215.17882	2.5
217.15831	2.1
231.17580	3.0
231.21107	9.4
241.19499	30.7
259.20593	95.4
260.20932	5.5
261.21936	2.3
263.12527	4.9
277.21588	19.4
333.17459	2.5
333.24353	8.7
351.18460	4.6
351.25290	66.6
352.25549	5.9
369.19434	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	351.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	30.0
62.46540	23.1
67.05502	72.6
69.07073	90.5
71.30244	29.1
79.05515	45.3
81.07066	90.5
91.05511	31.8
93.07050	86.3
93.31377	22.0
95.04974	31.5
95.08633	100.0
105.07042	78.6
107.08617	83.8
109.10152	56.2
119.08613	95.7
121.10165	60.6
123.11732	27.9
131.08684	23.3
133.10149	52.9
137.13280	30.5
145.10164	32.3
157.10132	31.0
161.09700	42.9
177.30492	26.9
185.13216	27.0
307.14108	23.0
335.30222	26.2
374.05145	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	352.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.34383	1.0
70.06599	12.8
91.05472	3.2
93.07027	6.6
95.64751	1.2
103.05469	3.6
116.07091	38.4
116.07927	1.9
119.92169	1.2
121.06508	100.0
122.06861	3.3
138.09128	23.6
173.09184	2.1
215.10269	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	352.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
60.72909	1.1
70.06589	13.9
88.11277	3.4
91.05486	4.1
93.07049	5.3
95.05028	1.2
100.03999	1.6
103.05474	2.9
108.99866	1.1
110.07206	1.1
116.07090	36.4
121.06502	100.0
122.06899	2.6
138.09140	23.4
139.09488	1.6
173.09256	2.7
188.17361	1.1
215.10307	6.5
218.52663	1.1
247.02525	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	352.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17623	3.4
55.54794	3.8
60.04525	6.8
67.05539	3.5
69.03443	5.7
69.34250	23.4
71.08630	4.0
79.05507	9.6
79.76312	3.5
81.07076	10.4
81.83396	3.8
84.04517	16.5
85.02907	5.6
87.04459	32.3
89.38062	4.5
91.05474	5.2
93.07062	5.2
95.08597	4.8
96.04472	4.6
103.05482	5.6
105.07039	11.5
107.04949	4.6
111.04422	4.6
111.08121	4.4
120.08125	16.1
121.06490	5.9
121.10070	3.6
128.07091	19.9
131.04953	5.9
134.06052	6.4
139.03947	13.9
146.05974	4.4
146.08116	31.3
155.85478	4.4
159.04434	7.5
160.03990	7.5
162.05536	18.9
166.05075	8.3
174.09290	3.7
175.07587	6.6
178.04964	8.0
179.05792	9.2
194.08110	21.2
202.08563	4.8
222.07620	42.2
233.10516	9.1
234.11374	11.0
240.08667	46.9
241.09123	5.3
245.05977	3.9
278.91006	4.3
288.12366	6.2
320.14890	24.0
352.17581	100.0
353.17880	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	353.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30611	67.1
70.62354	9.9
71.09518	10.2
81.07079	11.5
85.02896	14.5
91.05479	23.3
97.42087	9.6
103.05479	8.7
113.63821	10.4
116.45383	10.6
121.02867	17.9
121.06525	34.8
149.53870	11.7
163.04010	10.7
181.04921	17.1
200.03445	10.9
288.03522	10.8
353.06265	100.0
353.12680	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
55.01858	1.5
60.03345	1.6
69.66176	2.7
69.66560	2.9
72.08115	1.8
75.19110	1.5
84.04508	4.6
87.56274	1.5
98.22758	2.1
121.06508	12.3
137.02316	2.1
144.69048	1.6
146.39243	1.3
147.04422	3.6
163.03937	5.1
165.01802	2.1
177.01886	1.7
185.04218	96.2
186.04529	1.5
191.03249	21.5
192.27974	1.6
193.01262	2.2
194.63441	1.6
204.10248	3.3
218.02072	1.8
219.02892	7.7
221.00832	11.1
222.92159	1.6
231.02974	2.6
233.00789	1.9
239.01927	14.6
247.02432	9.2
257.00894	2.8
275.01901	13.4
289.03271	2.1
303.01364	2.8
321.02350	2.7
353.08423	100.0
353.11713	4.5
354.08813	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	353.1021
Annotation	Negundin A
Peak:m/z	Relative Intensity
55.01867	2.1
67.05486	0.8
79.05475	0.7
81.07062	0.7
85.02945	0.8
91.05482	1.5
93.07042	0.9
95.04968	1.1
107.04962	1.3
115.05502	1.3
115.18696	0.6
120.20834	0.6
120.54956	0.6
121.02868	2.8
121.06503	1.4
121.10188	0.6
121.68369	0.6
123.04461	0.9
123.54418	0.6
125.09616	0.8
131.04889	1.2
133.77127	0.6
137.05986	1.2
145.06483	1.9
151.03911	3.5
151.04980	0.9
152.06215	2.3
153.07022	1.6
155.08540	1.2
161.05965	0.8
165.07008	13.8
166.07796	3.7
167.07069	0.8
167.08560	1.9
168.05711	1.7
169.06540	0.8
173.05977	1.4
174.06793	1.1
176.06232	0.9
177.06984	2.6
178.07773	7.5
179.08536	2.7
181.06465	5.4
183.08060	3.0
183.12982	0.6
184.05299	0.8
189.07002	3.2
190.07782	1.5
191.07037	1.7
191.08617	1.3
193.06511	6.2
194.07271	18.8
195.08069	4.3
196.05232	1.1
196.08783	1.0
197.06004	0.7
198.06735	1.4
201.05428	1.1
205.06500	5.7
206.07300	3.0
207.08099	4.3
208.05132	0.9
208.08772	2.7
208.17331	0.6
209.05865	3.1
209.09630	1.7
210.06790	2.2
211.07555	14.7
212.07921	0.8
218.07185	1.9
219.08046	1.6
221.05971	4.2
222.06799	9.7
223.07523	5.1
224.08377	5.5
225.09138	4.7
226.06381	1.0
226.09883	2.8
233.05981	2.0
234.06856	3.9
235.07542	3.0
236.04539	0.7
236.08237	2.1
237.05499	1.4
237.09111	22.6
238.06529	0.8
238.09427	1.4
239.07068	14.1
239.09450	1.1
240.07532	1.1
242.42267	0.7
247.07652	1.0
248.08220	0.9
249.05408	1.7
249.09186	1.2
250.06319	4.4
250.08817	0.9
251.07076	3.1
252.07816	5.1
253.08537	5.1
254.09268	3.4
261.09232	1.0
262.06424	1.2
263.07095	1.6
264.07776	2.3
265.08606	22.0
266.05515	0.6
266.06485	0.5
266.09225	4.3
267.06558	14.0
267.09692	1.3
268.06723	0.7
277.04938	0.9
277.08655	1.3
278.05692	1.3
279.06525	1.8
279.10263	1.4
280.07260	4.1
281.08023	3.1
282.08841	11.3
283.09277	1.3
289.08679	1.0
292.07385	0.8
293.08118	23.6
294.08621	2.5
295.06006	4.9
295.09344	1.5
296.10449	1.8
297.11203	4.2
307.09607	3.4
308.06845	1.3
310.08359	12.2
310.11847	0.5
311.08951	0.8
321.07581	2.0
321.11154	1.3
322.08347	0.7
324.09552	1.0
325.10681	19.5
326.10999	0.8
328.26761	0.7
335.08987	3.0
338.07602	1.4
347.02109	0.7
353.10199	100.0
353.22775	7.6
354.10464	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	353.102
Annotation	Negundin A
Peak:m/z	Relative Intensity
51.64094	0.8
53.03959	1.0
55.01875	2.5
56.27402	1.0
65.03945	1.5
68.99788	1.4
71.30454	1.3
71.30824	1.0
73.70477	0.8
79.05474	1.4
81.07052	1.4
83.22446	0.8
91.05473	2.6
95.04956	1.9
95.08613	1.0
103.05442	1.4
105.03432	1.0
105.07000	1.3
107.04939	1.3
108.89929	0.9
115.05441	1.4
117.07025	1.4
121.02885	3.6
121.06482	1.3
122.34475	0.9
129.06935	0.8
131.04942	2.0
137.02385	0.9
137.06001	1.4
139.35153	1.1
145.06453	2.4
147.11783	1.0
149.05948	0.9
151.03923	5.6
152.06230	3.3
153.07007	2.9
155.08606	1.8
165.07031	15.6
166.07755	4.4
167.08572	1.8
168.05742	1.6
170.75859	0.9
173.06047	2.8
176.06212	1.7
177.05534	1.0
177.06998	2.5
178.07771	9.5
179.08498	4.7
181.06474	8.4
181.97189	0.9
182.07355	1.1
183.08080	4.1
189.07007	2.7
190.07840	2.1
191.07013	1.9
191.08568	2.2
192.05809	1.1
193.06468	7.1
194.07300	21.0
195.07907	5.8
196.05161	1.6
199.07591	1.0
201.05482	1.7
205.06496	6.5
206.07297	3.7
207.08080	5.8
208.08823	1.8
209.05986	2.9
209.09657	1.7
210.06763	1.6
211.07536	19.3
218.07281	2.1
219.07947	1.6
221.05925	4.7
221.09621	1.3
222.06752	9.9
223.07544	7.4
224.08374	4.8
225.09105	4.1
225.40948	0.9
226.09840	3.2
233.05936	3.0
234.06839	5.5
235.07472	3.6
236.04793	1.0
236.08211	4.1
237.05426	1.3
237.09103	29.7
238.06253	1.7
238.09587	1.4
239.07030	16.1
240.07356	1.4
247.07626	1.2
249.05453	2.1
249.09148	1.2
250.06270	4.1
251.07100	4.6
252.07831	5.4
253.08636	6.5
254.09421	4.4
261.09070	1.6
262.06400	1.6
263.07001	2.4
264.07751	3.1
265.08591	28.7
265.11319	1.7
266.09219	6.5
267.06506	14.9
267.09863	1.6
268.07104	1.1
277.08673	1.4
278.05710	1.9
279.06448	1.2
279.10040	1.1
280.07315	5.0
281.08044	3.8
282.08911	14.9
289.08771	1.6
292.07248	1.3
293.04742	1.8
293.08090	29.5
293.11200	1.8
294.08472	3.4
295.06039	6.8
295.09576	2.6
296.10413	1.6
297.11182	4.0
297.14218	1.1
307.09628	4.7
308.06824	1.3
309.07416	1.1
310.08371	11.6
311.08591	1.7
321.07651	1.4
321.11188	2.4
324.09851	1.0
325.10699	22.5
326.10922	2.3
327.56061	1.1
335.09177	5.1
338.07794	2.2
353.10181	100.0
353.13440	4.0
353.22757	8.2
354.10574	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	353.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22673	0.3
53.03940	0.3
56.05035	1.6
58.67585	0.3
70.56390	0.9
76.00379	0.3
83.06104	0.6
84.04504	29.7
85.04840	0.4
87.00830	0.3
91.05476	2.2
93.07043	4.4
95.04957	0.8
103.05454	1.9
119.04929	0.3
120.70935	0.3
121.06501	100.0
122.06830	3.4
124.03973	0.7
124.42018	0.3
130.05002	17.2
137.91893	0.4
138.09131	10.9
142.05009	0.5
147.04395	1.5
152.03436	3.7
170.04488	0.9
198.03969	4.1
200.13872	0.3
203.11775	0.7
204.10196	43.8
205.10516	2.0
221.12865	5.2
247.10730	0.4
249.12311	3.0
250.10655	1.1
263.13693	0.4
267.13397	1.1
289.11731	0.6
293.11182	0.6
307.12866	5.1
317.11234	1.1
335.12286	2.2
353.08383	1.5
353.13348	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60233	0.3
56.05035	1.8
61.49600	0.3
62.44852	0.2
69.14536	0.9
69.14960	1.0
77.03906	0.3
79.05506	0.3
82.02932	0.3
83.06114	0.7
84.04509	29.8
85.04848	0.3
91.05500	2.1
93.07049	4.2
102.05543	0.5
103.05476	2.1
105.04496	0.3
121.06512	100.0
122.06843	3.5
124.03959	0.7
130.05011	18.0
131.05342	0.5
138.09146	10.7
142.05026	0.5
147.04398	0.5
152.03433	3.5
159.73920	0.3
165.01762	0.3
170.04509	0.7
172.06088	0.3
174.05600	0.5
191.03426	0.8
193.01347	0.3
198.03981	3.8
203.11861	0.6
204.10211	42.2
205.10565	2.2
219.02907	1.1
221.00813	1.2
221.12852	4.9
233.00732	0.3
239.01852	1.0
247.02446	1.1
247.10724	0.5
249.12341	3.2
250.10748	1.0
257.00830	0.4
267.13388	1.4
275.01813	1.5
289.11673	0.7
293.11292	0.6
303.01236	0.3
307.12900	5.7
308.12985	0.4
317.11420	1.1
335.12421	2.8
353.13489	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	353.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70133	0.1
53.03951	0.3
54.42788	0.1
56.54616	0.1
57.01959	0.1
65.03610	0.2
65.03943	3.2
65.04287	0.2
65.81791	0.1
65.82185	0.1
66.04679	0.1
77.03935	0.5
79.05499	1.4
91.05486	61.9
92.05817	1.9
95.04988	0.4
98.23471	0.2
105.04539	0.1
107.00494	1.7
108.01277	6.1
109.01617	0.2
131.54312	0.1
132.05547	0.1
152.06192	0.3
154.07765	0.3
155.08539	0.2
169.06464	0.2
183.03600	11.5
184.04378	2.6
185.05161	5.7
185.06844	0.2
186.05603	0.4
201.04640	0.9
202.05431	0.5
216.03357	0.2
219.05730	0.5
230.10960	0.2
261.08292	10.4
262.09027	5.1
263.09488	0.4
266.08649	0.3
277.07950	0.1
293.07245	1.8
294.08038	13.0
295.08316	0.8
353.14536	100.0
354.14874	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	353.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
56.05038	12.9
56.70019	1.2
58.79135	1.3
60.56126	1.1
61.01158	9.5
67.05492	2.2
69.03431	5.0
71.04993	1.5
76.24508	1.2
78.18314	1.2
79.05482	3.8
81.03419	6.6
81.07055	4.4
91.05486	2.9
93.07071	6.8
95.08592	1.5
98.06062	5.0
99.04485	1.9
103.05482	4.7
104.05340	17.3
104.10541	1.4
105.07026	6.1
107.08593	8.0
109.02881	2.6
109.06505	1.3
109.10099	1.2
117.07050	1.1
120.08112	100.0
121.06515	8.4
121.08444	2.7
121.10193	3.7
135.08038	2.7
135.11681	1.4
145.10165	3.4
146.06357	9.2
149.09648	3.1
161.09615	1.8
163.07565	2.6
163.11191	7.0
167.96457	1.2
173.09740	1.2
174.05830	2.7
180.10201	45.4
181.10425	1.9
185.04308	1.2
191.10703	3.5
239.43332	1.3
321.91541	1.3
335.21835	2.5
353.16049	5.9
353.22986	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	353.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30809	0.5
69.90734	0.9
69.91089	1.1
76.08376	0.4
80.39899	0.4
83.04996	1.3
124.15428	0.4
175.10954	13.8
176.11179	0.5
191.10477	0.8
201.03716	26.5
202.04079	0.5
203.05174	2.2
219.04890	0.5
322.63409	0.5
335.15201	0.4
353.15729	100.0
354.16144	7.7
355.14560	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	353.1574
Annotation	Lambicin
Peak:m/z	Relative Intensity
50.05296	0.2
52.86163	0.3
55.01866	0.3
55.05511	0.4
70.38550	0.6
70.86562	0.2
83.04959	1.3
85.02894	0.3
86.09711	0.3
95.08631	0.2
105.07085	0.3
138.05516	0.3
170.28294	0.3
173.09444	0.4
175.10948	9.9
175.12476	0.5
176.11372	0.4
191.10526	0.4
198.07547	0.3
200.55881	0.3
201.03716	22.2
202.04016	0.6
203.05255	2.2
219.04790	0.5
242.06451	0.3
275.01898	0.6
353.15717	100.0
354.16077	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67127	0.9
56.36761	0.9
67.05499	1.5
69.00630	1.4
69.01036	5.9
77.56876	0.8
81.07044	1.1
91.05487	1.2
93.07027	1.3
94.40475	0.8
95.08578	1.2
105.07027	1.2
107.08583	1.1
119.08581	1.1
207.40938	0.8
261.21039	0.9
353.22974	100.0
354.23425	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97385	0.4
51.34720	0.4
59.45261	0.4
59.67424	0.4
64.71395	0.4
69.52517	1.8
79.05516	0.4
91.05477	0.8
121.06489	0.8
131.00436	0.4
221.20322	0.5
222.06744	0.5
234.06818	0.4
250.06262	0.6
261.09195	0.5
265.08499	0.8
267.06580	0.5
289.08447	0.6
293.08133	1.1
310.08496	0.6
321.07574	0.6
321.11072	0.8
325.10898	0.8
335.21716	0.5
353.10501	4.3
353.22992	100.0
354.10501	0.6
354.23355	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	5.9
55.01855	1.3
55.05509	14.5
56.91284	1.1
57.03430	4.7
57.07083	6.1
65.03949	3.1
67.05506	100.0
68.05827	1.8
69.07069	15.2
69.35960	3.6
69.36367	3.5
70.06567	1.9
71.04999	1.6
71.08628	5.0
75.04491	1.4
79.05498	64.7
80.05842	1.3
81.07061	94.8
82.07397	2.7
83.08614	7.2
85.06541	2.6
88.07629	2.0
91.05478	29.0
93.06584	0.8
93.07047	73.3
95.04961	3.9
95.08609	74.8
96.08949	3.0
97.06519	4.9
97.10184	3.9
99.08100	5.1
102.13339	1.2
105.07034	21.9
106.07394	1.4
107.08601	45.5
108.08963	1.8
109.06553	2.4
109.10167	26.6
110.10506	1.6
111.08089	2.1
113.09647	2.4
114.77795	1.2
117.07024	13.4
119.08588	16.9
121.10146	37.2
123.11710	13.3
125.09639	1.7
131.08577	26.6
132.08897	1.9
133.10143	13.1
134.73512	1.4
135.11702	30.0
137.13245	5.5
145.10129	18.9
147.11685	9.2
149.09660	1.4
149.13266	23.8
150.13669	1.3
151.14796	5.0
159.11694	12.6
161.13255	9.3
163.14824	16.9
173.13266	18.5
175.14850	4.5
177.16444	6.4
187.14825	11.2
191.14391	1.6
201.16373	3.2
205.15921	1.6
215.18086	1.4
230.22417	1.3
233.22676	6.5
243.21091	28.8
244.21400	3.5
261.22150	79.3
262.22540	6.0
279.23380	2.0
335.22159	1.4
335.25858	5.9
336.26004	1.3
353.23068	1.3
353.26727	7.8
354.33734	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.05508	15.1
57.03421	3.7
57.07070	5.2
65.03934	2.6
67.05506	100.0
68.05814	2.4
69.07070	16.0
69.44910	7.8
71.04995	1.8
74.17833	1.6
74.81634	1.5
79.05495	54.2
81.07058	99.3
82.07388	2.2
83.04994	2.4
83.08612	7.8
85.06526	4.0
88.84865	1.4
91.05476	29.1
92.05834	1.8
93.07044	69.9
95.04978	4.0
95.08607	63.3
97.06547	3.7
97.10152	3.7
99.08081	3.1
105.07019	21.7
107.08592	43.5
108.08939	1.6
109.10153	40.4
111.08060	2.3
113.09692	2.3
117.07044	8.0
119.08582	19.4
121.10138	38.9
123.08077	1.8
123.11718	19.1
127.11123	1.7
131.08562	24.3
133.10118	15.5
135.11679	28.1
137.13237	8.4
145.10124	19.9
147.11691	9.9
149.12158	2.0
149.13263	24.4
151.14819	2.7
153.12740	2.6
157.10147	2.7
159.11700	14.8
161.13246	9.9
163.14838	12.7
171.11670	1.9
173.13278	18.7
175.14847	4.4
177.16396	5.2
187.14778	11.1
201.16353	3.9
205.15709	2.5
209.13112	1.6
215.17871	2.0
219.17548	1.6
233.22655	6.5
243.21069	21.7
245.86835	1.6
261.22131	99.7
262.22513	7.8
279.23206	2.6
335.25677	5.7
353.26926	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41596	1.5
53.03946	4.8
55.01869	2.1
55.05505	15.0
57.03446	3.7
57.07068	4.4
65.03930	3.6
67.05506	90.6
69.07065	13.3
69.07816	4.1
69.08217	9.1
71.04994	2.5
71.08629	2.5
75.04512	1.9
77.03920	1.8
79.05064	3.5
79.05497	45.7
79.43110	1.6
81.07059	85.3
83.08601	5.6
91.05476	21.2
93.07047	62.4
95.04954	2.2
95.08606	62.6
96.08949	2.3
97.10162	2.8
99.08096	4.3
105.07036	20.6
107.08601	36.3
109.06509	1.7
109.10160	36.3
114.99186	1.8
117.07018	9.9
119.08611	17.6
121.10146	28.9
123.11699	20.0
131.08568	21.7
133.10126	14.5
135.11699	33.6
137.13235	7.4
145.10127	13.3
147.11661	9.5
149.13263	21.0
157.45862	1.7
159.11702	15.8
161.13260	7.4
163.14824	13.3
165.12744	2.5
173.13249	17.8
175.14822	3.6
177.16304	2.8
187.14813	10.1
191.14247	2.6
201.16470	2.3
219.96391	2.1
225.30920	1.9
233.22610	4.0
235.36108	1.6
243.21036	15.6
248.81659	2.0
261.22156	100.0
262.22433	4.4
273.83234	1.9
279.23300	2.6
335.25827	6.4
336.29031	1.9
341.28513	1.8
353.26801	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	2.7
55.01870	1.1
55.05513	11.9
57.03441	5.7
57.07072	5.4
65.03944	3.2
67.05505	99.7
68.05829	1.7
69.07066	14.0
69.65461	3.3
71.05003	2.1
71.08633	1.1
75.04491	1.5
77.03905	0.8
79.05493	45.0
81.07055	100.0
82.07390	3.1
83.08614	6.8
85.06544	3.0
91.05483	19.4
93.07040	52.5
93.45599	0.8
94.07344	1.1
95.04974	3.1
95.08603	73.9
96.08941	2.2
97.06531	2.7
97.10163	3.8
98.22699	1.0
99.08083	1.3
105.07034	16.4
105.10374	0.7
107.08598	38.2
108.08929	1.1
109.06528	1.6
109.10155	37.4
110.10497	0.9
111.08074	1.8
111.11734	1.5
113.09637	1.6
117.07023	9.0
119.08578	13.8
120.08954	0.9
121.10146	30.2
122.10510	1.2
123.08057	1.2
123.10806	1.5
123.11701	22.5
123.50165	0.9
124.12058	1.2
125.09615	1.6
130.07809	0.8
131.08563	19.5
132.08904	0.8
133.10139	12.0
135.08063	1.0
135.10661	1.4
135.11693	22.4
135.12694	1.6
136.12024	1.3
137.09657	1.6
137.13254	7.4
145.10126	13.1
147.11691	8.7
149.09673	0.8
149.13260	17.7
150.13574	1.2
151.14859	1.8
153.12741	1.0
159.11681	13.4
160.12094	0.8
161.13239	7.6
162.13573	1.0
163.11253	1.2
163.14816	9.6
164.15224	0.9
165.12761	1.3
167.14334	0.8
173.11789	0.6
173.13257	13.5
175.14859	2.0
177.16365	4.0
179.14319	1.1
187.14809	8.4
191.14374	1.4
201.16447	1.5
206.32199	0.8
219.17499	1.0
233.22644	3.6
243.21101	18.4
244.21451	1.9
261.22134	77.9
262.22446	6.4
279.23145	6.0
335.25845	6.5
336.26468	1.0
353.26807	18.3
354.27106	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	353.2688
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.05523	33.0
57.07081	13.8
66.33125	5.5
67.05511	33.0
69.03429	8.6
69.07067	34.5
71.04995	6.3
71.08630	27.3
72.08170	11.4
79.05495	12.3
81.07063	41.3
83.08630	11.7
91.05491	16.0
93.07065	17.7
93.79173	5.2
95.08620	39.4
95.86422	5.4
97.10193	6.4
99.08112	19.1
105.07052	17.8
107.08650	11.9
109.06521	29.7
109.10195	14.4
119.08613	16.3
121.10156	11.0
123.11735	8.0
131.08588	6.7
133.10176	10.7
135.11713	7.0
139.11205	8.4
147.11711	10.8
149.96901	6.2
165.12755	55.0
166.13077	9.2
193.05078	11.8
209.19080	15.6
289.25330	27.4
291.51102	6.0
317.24768	68.8
318.25076	7.5
335.25864	100.0
336.26108	10.4
353.29315	16.2
353.79428	8.2
354.33566	11.6
354.54373	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.26850	1.3
53.03958	2.2
55.05506	15.4
57.03433	6.3
57.07068	2.3
65.03947	3.4
67.05506	96.3
69.07066	12.3
70.54903	2.8
71.04985	1.9
75.04486	2.4
78.13168	1.4
79.05492	37.4
81.07058	100.0
83.08620	8.1
85.06561	3.4
91.05479	19.8
93.07043	57.5
94.07349	2.3
95.04987	3.8
95.08607	76.2
96.08919	1.9
97.06537	3.7
97.10163	5.2
99.08110	2.1
105.07039	17.8
107.08594	38.2
109.06575	1.9
109.10156	36.6
111.08096	2.3
117.07022	8.1
119.08563	14.5
121.10149	31.6
123.11712	23.3
131.08582	21.0
133.10143	11.2
135.11696	29.4
137.13225	9.4
145.10129	15.2
147.11642	9.4
149.13261	16.7
153.12816	1.7
159.11668	14.7
160.12074	1.6
161.13205	8.5
163.14822	13.1
173.13245	14.4
175.14868	1.9
177.16422	5.9
179.14195	2.8
187.14787	9.5
201.16388	3.3
203.51523	1.6
213.69194	1.4
219.17590	2.0
233.22623	4.3
243.21043	17.4
250.50430	1.4
261.22141	85.4
262.22543	5.6
264.53876	1.5
272.02228	1.5
279.23138	4.3
335.25751	8.8
353.26877	23.3
354.27267	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	354.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
67.05508	3.2
72.43623	1.3
79.05493	2.0
83.08604	1.5
91.05486	4.9
94.06573	7.8
95.04935	2.4
95.24657	1.3
96.08141	1.4
98.56937	1.2
102.04701	1.9
103.05477	3.4
105.07047	2.3
106.06590	2.1
108.08125	2.0
112.16378	1.1
115.05443	1.9
118.06554	2.8
119.04966	1.3
121.06509	3.2
122.06026	13.2
122.06793	1.7
123.04382	1.4
123.06802	1.9
124.07607	5.9
130.06529	100.0
131.04936	2.0
131.06882	3.2
132.08090	3.7
133.02917	1.2
133.06528	2.6
134.06007	46.2
135.06360	1.5
135.09200	2.3
136.07565	13.3
137.05981	11.9
140.07028	2.1
142.06508	2.9
144.08102	2.0
146.05997	5.8
147.04430	4.8
148.07536	1.3
149.05991	1.6
149.07083	3.8
150.05510	86.5
151.05727	1.6
152.07071	73.0
153.07379	2.6
154.08638	4.5
157.07617	3.5
158.03691	1.5
158.08450	4.7
159.09187	14.9
161.05948	5.0
161.07133	8.3
162.05612	1.5
162.06764	5.7
162.07898	2.8
163.08662	48.0
164.07080	2.8
164.09094	1.6
166.07416	2.1
168.06627	2.1
169.07640	3.8
177.05540	1.7
180.08081	1.6
181.09703	8.9
187.07555	1.5
188.07092	3.3
189.06900	2.1
201.05450	8.8
203.06937	1.9
205.09718	2.9
207.07712	13.5
219.07874	2.7
220.07883	1.1
220.10037	1.4
221.10852	1.7
225.08691	39.0
231.06462	2.8
232.09973	1.9
234.06700	2.6
239.38579	1.3
248.09445	3.5
249.10266	23.6
250.06352	1.2
250.10751	1.5
251.06816	1.4
251.11388	1.2
260.09561	1.3
262.06229	2.0
263.07214	1.4
263.11813	9.9
265.13193	1.4
267.11292	13.8
273.10400	1.2
274.11060	1.6
275.11783	26.6
276.12195	1.8
277.08646	3.9
279.11282	7.9
280.12042	5.4
281.12854	48.5
282.13266	3.3
290.12448	1.9
292.14395	21.9
293.12766	21.0
294.13159	2.7
295.09729	1.6
305.08145	3.8
309.11237	2.2
310.15488	24.1
311.15918	2.1
323.09103	12.2
336.13245	1.7
337.10657	5.7
354.14508	26.1
355.11642	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	354.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05492	1.1
67.05499	4.2
69.03439	1.1
69.07071	11.2
70.29717	2.2
70.30061	1.2
71.04993	9.8
79.05489	8.9
81.03458	1.2
81.07048	3.3
83.04981	3.2
85.06543	4.3
86.09708	100.0
87.10043	1.3
88.03988	2.4
91.05476	10.1
93.07049	10.3
95.04971	3.3
95.08607	1.8
97.06522	1.8
98.22692	1.2
99.08081	1.6
105.07039	12.4
107.04948	4.0
107.08605	15.5
109.02858	1.4
109.06513	2.5
111.04441	3.6
117.07014	2.8
119.08609	6.4
121.06532	5.5
121.10124	7.8
128.10722	4.6
129.07014	2.2
130.07788	1.3
131.08572	16.4
135.04411	3.0
135.08081	1.3
135.11679	1.3
137.09616	3.0
145.06538	2.4
145.10115	10.1
146.11763	33.2
147.08043	3.9
147.11649	2.0
149.05984	1.3
149.09624	33.3
156.10168	1.5
163.07558	1.5
163.11188	12.3
165.09087	5.0
165.12805	2.1
167.10689	39.3
173.09627	4.1
191.07030	3.9
191.10683	23.6
192.07391	4.3
208.13327	1.3
209.11725	26.1
209.13562	1.9
210.14882	3.5
213.57260	1.3
238.14510	1.5
258.18390	2.2
270.17047	1.5
276.19598	18.0
277.19955	1.8
294.20715	12.1
318.20560	1.1
322.20013	2.8
336.11316	1.2
336.21802	6.9
354.22797	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05510	15.9
57.07076	17.0
58.06605	17.0
60.04498	3.7
67.05500	12.5
67.11269	2.8
69.07074	19.9
70.06594	10.4
70.54324	2.4
71.08633	12.2
72.04526	3.6
74.06089	5.7
81.07061	15.7
82.06581	3.6
83.08605	13.2
84.08153	7.5
85.10187	5.2
86.06066	4.1
95.08612	16.6
97.10182	11.7
97.51387	2.6
98.22643	8.3
109.10172	6.8
111.11762	2.9
123.11770	4.4
253.05264	2.5
271.22345	2.7
294.31668	4.6
306.31476	4.6
308.33105	3.8
336.32556	10.8
354.33664	100.0
354.37891	6.0
355.34027	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	355.0632
Annotation	Phenolsulfonphthalein
Peak:m/z	Relative Intensity
57.07071	1.2
69.52869	5.2
70.06570	1.8
72.08160	2.5
72.52393	1.2
73.04759	6.1
73.63960	1.2
84.08121	1.7
85.02901	1.9
85.43082	1.1
91.05790	14.6
97.02899	1.5
97.73256	1.5
99.92197	1.4
110.07150	2.8
111.08059	1.4
121.06520	1.3
135.04419	1.3
147.04376	1.4
153.01834	1.9
155.92104	1.3
156.07727	1.5
163.03911	8.6
166.97446	1.6
185.04211	84.0
186.04459	2.2
193.01088	14.4
211.00815	1.7
220.66585	1.3
229.02058	1.3
265.06223	1.7
268.97940	2.0
285.00998	5.5
355.06342	100.0
355.10028	5.6
356.06531	7.0
373.06055	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	355.0661
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
55.01881	1.3
59.99718	0.2
63.02374	0.3
69.03433	0.4
73.02900	0.5
79.05064	0.2
79.05494	1.1
83.01341	1.2
89.03923	8.2
90.04241	0.3
91.05479	0.3
95.01321	0.5
95.04961	0.3
98.23374	0.4
101.02365	0.6
107.04954	3.1
111.00735	0.2
113.02389	0.3
117.03384	11.0
119.04920	0.6
129.01859	0.3
135.04419	19.1
136.04721	0.5
145.02849	14.4
146.03146	0.8
147.04405	1.8
163.03906	100.0
164.04245	4.0
181.04971	0.7
309.06137	0.5
355.06610	11.1
356.06934	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	355.066
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
63.02369	0.5
70.36410	0.5
70.36744	1.1
73.04758	0.4
79.05508	2.0
89.03916	13.0
95.05051	0.4
98.23318	0.6
107.04949	3.1
117.03378	13.6
135.04414	25.2
136.04814	0.7
145.02847	16.7
145.03882	0.6
146.03162	0.6
147.04379	1.8
163.03902	100.0
164.04257	4.3
193.04970	0.9
203.03394	8.1
205.04947	2.8
205.34833	0.5
212.48987	0.4
217.04893	0.5
219.02864	0.7
219.54286	0.6
231.02945	0.8
231.06262	0.5
235.02357	1.1
235.05954	1.1
241.45952	0.5
254.51033	0.4
258.33267	0.4
259.06024	1.1
261.04062	0.7
263.01749	0.6
279.04889	1.0
291.05017	1.3
318.99808	0.5
355.06638	1.5
355.10260	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	355.1025
Annotation	Biflorin
Peak:m/z	Relative Intensity
51.02398	0.7
53.03949	3.5
55.01860	0.7
57.03441	2.7
62.25893	0.6
69.03423	0.9
70.45381	1.4
71.01349	2.8
73.02917	5.0
77.03925	1.3
79.05493	2.7
81.03429	0.7
84.99543	0.5
85.02908	7.6
91.05485	0.7
95.01328	2.3
95.04976	4.0
97.02888	1.9
99.00863	0.9
101.02410	1.2
103.03953	1.4
105.03397	100.0
106.03736	2.3
113.02373	3.4
123.04420	5.0
130.04163	0.7
131.03403	1.3
137.05992	3.0
141.01840	4.7
147.04462	1.0
159.02946	1.2
161.06073	0.8
162.06714	0.6
175.03870	0.8
179.01578	0.6
179.07039	21.8
179.91754	0.5
180.07352	0.7
193.04982	4.8
197.08104	6.8
201.05437	2.6
207.06514	1.1
222.51930	0.6
277.08780	1.0
323.09323	2.6
337.09058	2.7
355.04803	0.7
355.10123	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	355.1024
Annotation	Biflorin
Peak:m/z	Relative Intensity
53.03940	0.5
55.01873	0.9
57.03419	0.4
63.02376	0.5
64.33614	0.3
65.03925	0.4
68.52222	0.3
69.53397	1.5
73.02924	0.4
73.04722	0.3
79.05482	1.0
83.01346	0.8
85.02853	0.4
89.03918	9.0
91.05451	2.5
95.01330	0.6
95.05000	0.4
101.02390	0.7
107.04964	2.2
117.03381	10.4
119.04948	4.1
120.92121	0.4
121.06516	0.8
135.04420	21.0
145.02849	13.9
145.03804	0.3
146.03171	0.8
147.03195	0.4
147.04405	15.9
163.03906	100.0
164.04237	3.7
181.04874	0.4
235.02354	0.4
241.48415	0.4
323.18210	0.3
337.09348	0.4
355.06625	6.6
355.13412	0.4
356.06708	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	355.1024
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
54.82128	1.0
67.01878	0.9
69.42027	4.5
79.01853	2.7
80.31233	0.9
81.03416	1.6
85.02930	1.4
91.05840	1.1
121.06525	1.2
126.26020	0.9
137.06026	1.9
147.04404	1.0
149.05962	3.0
153.01929	1.7
161.06052	1.3
163.03935	2.5
165.01808	1.6
165.05453	4.6
175.07640	1.0
177.05479	3.0
178.06277	7.2
181.04967	6.9
187.03993	1.7
189.05501	2.5
193.05022	4.6
205.04973	88.0
206.05740	45.9
206.07736	1.3
207.06442	3.6
217.04971	15.9
219.03049	5.2
219.06508	18.2
229.05026	1.4
230.05797	4.6
231.06520	7.5
233.04460	5.9
233.07977	1.4
235.06020	100.0
236.06384	4.0
243.02914	3.0
245.04381	2.7
245.08092	18.6
247.02359	2.0
247.06024	6.2
249.07622	1.7
259.06021	27.8
259.08612	1.7
260.06354	1.5
261.04007	3.8
263.05392	1.6
265.07080	4.1
271.06018	1.7
273.07571	6.8
273.40021	0.9
289.07065	23.8
290.07410	2.2
301.07086	13.0
302.07391	1.2
309.05991	3.1
319.08151	32.1
320.08487	2.0
323.09119	1.2
337.09164	30.4
338.09509	1.1
355.10263	52.9
356.10593	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	355.1024
Annotation	Biflorin
Peak:m/z	Relative Intensity
53.03958	1.0
53.33514	0.9
56.38324	0.8
57.03435	1.4
63.72392	0.8
65.49361	0.9
66.06647	0.9
71.01357	1.1
73.02929	1.7
75.22803	0.8
79.05511	0.9
81.03425	1.0
81.58226	0.9
84.04509	1.1
85.02907	6.7
87.94972	0.8
95.04977	1.1
97.02854	1.2
103.03954	1.5
105.03392	17.5
106.03690	1.0
109.02856	0.8
111.35046	0.9
113.02368	1.5
123.04430	1.6
123.55449	0.9
131.31181	0.8
138.41827	0.7
141.01843	2.0
147.04349	1.1
149.02347	1.2
151.03911	1.8
151.26289	0.8
153.01868	3.4
161.06033	2.7
165.01897	1.3
167.03421	1.0
171.11841	0.8
173.30638	0.9
177.05490	1.5
179.07054	3.1
181.06541	1.0
189.05475	16.1
190.05917	1.4
192.04185	1.6
193.04959	6.3
195.02844	1.0
201.05417	1.3
203.07045	7.5
205.04965	100.0
206.05603	9.7
215.07028	1.1
217.04982	15.2
217.08595	1.3
218.01686	1.0
219.02916	5.8
219.06551	1.7
227.07072	3.0
228.77838	0.9
229.04993	3.7
230.05714	1.1
231.02925	3.3
231.06512	20.3
233.04401	1.6
235.06013	68.6
236.06477	3.3
243.06627	1.9
245.04494	1.3
245.08081	8.6
247.02451	1.4
247.06041	1.1
247.82845	0.9
255.06509	4.2
259.06024	29.4
260.06360	2.0
271.06027	11.9
273.07584	1.4
283.05969	9.2
289.07098	16.7
290.07324	1.1
291.04880	1.0
299.98935	1.0
301.07095	12.9
309.06186	2.9
319.08151	10.0
337.05707	1.6
337.09323	3.7
355.04333	5.8
355.09955	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	355.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28838	0.3
60.05657	2.2
60.35928	0.4
61.62774	0.4
62.61669	0.4
65.03937	3.0
67.05490	1.5
69.03431	1.2
70.06596	11.7
71.04984	0.6
71.28660	0.3
72.08155	2.5
73.04750	1.9
74.17329	0.3
82.04191	1.0
85.02911	3.0
91.05804	5.3
93.03401	1.3
95.04933	0.8
97.02869	0.7
97.06505	1.4
97.07642	1.1
108.02130	0.6
110.03656	1.7
111.04445	0.5
112.08727	3.2
114.10268	1.8
115.08678	0.5
116.07058	1.5
120.07977	0.4
121.06496	0.6
122.06870	0.4
125.05983	1.6
130.09749	1.2
134.05949	0.5
137.05962	1.1
138.03117	1.1
142.02634	2.0
149.06013	0.7
152.07027	0.5
153.01804	0.5
153.05487	1.1
157.10854	1.0
158.09265	4.3
163.03902	1.2
166.08652	2.0
171.06549	3.2
175.11877	3.0
180.06578	0.6
181.04959	100.0
182.05347	3.4
194.08131	7.9
219.02901	1.7
247.02382	0.9
263.05563	0.4
268.97751	1.0
283.03595	0.4
285.00986	1.8
295.12946	2.1
296.11304	1.2
309.06012	1.2
337.05289	0.5
337.15247	0.9
338.13467	6.2
339.13702	0.8
351.79276	0.6
355.07007	2.5
355.16116	41.5
356.07092	0.5
356.16342	2.8
373.08008	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	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.7
60.49078	0.5
69.76458	2.2
70.06579	1.1
70.44942	0.5
72.08156	1.7
79.05518	0.5
82.06590	0.5
83.06091	0.8
83.08630	0.9
84.04492	3.2
86.09703	1.4
88.48595	0.5
91.05454	1.1
93.07058	1.1
100.07610	0.6
100.11264	1.3
107.08591	0.7
111.04479	1.0
116.07114	0.6
119.04922	4.7
121.06473	0.8
128.07068	0.7
130.05002	2.4
145.10147	1.0
147.04407	19.3
147.07678	0.7
149.09610	1.2
163.11198	1.8
176.78346	0.6
177.12453	1.3
182.15445	2.3
191.10748	1.5
201.03709	33.6
202.04149	0.7
203.05247	3.8
210.14879	4.1
215.13806	0.6
337.21368	1.2
355.17273	100.0
356.17700	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	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89783	0.2
56.12389	0.2
64.20370	0.2
69.73844	0.2
70.29707	0.4
70.30048	0.3
75.39610	0.2
91.05463	0.2
95.08626	0.2
137.06007	0.5
175.07623	0.2
175.11070	0.2
185.04176	0.3
193.12009	0.8
201.05386	0.2
202.38982	0.2
203.05295	1.8
224.71414	0.2
234.06767	0.2
355.17267	100.0
356.17584	6.4
356.22006	0.3
358.47198	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.05431	0.5
56.44901	0.5
58.79277	0.4
61.32718	0.5
63.78899	0.6
69.58576	1.7
70.76405	0.5
71.12070	0.5
150.56293	0.6
201.03697	0.7
203.05299	4.5
298.23270	0.5
355.17297	100.0
356.17661	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	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.45495	0.4
56.58601	0.5
69.67648	0.5
69.86258	1.7
73.14582	0.4
75.55039	0.4
81.07066	0.5
87.45094	0.4
95.04954	0.4
120.08099	0.5
126.78385	0.5
146.12294	0.4
176.54068	0.4
201.05504	0.7
290.44434	0.5
322.08899	0.4
323.09430	0.5
355.17282	100.0
356.17584	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
53.94815	0.5
60.11067	0.5
67.05499	1.4
69.07062	1.0
79.05494	0.8
81.03419	1.0
81.07066	0.6
86.09708	1.6
91.05475	2.0
91.06915	0.5
93.07056	0.7
95.04971	1.6
95.08600	0.9
98.23444	1.1
105.07011	0.9
107.08595	1.0
109.10170	0.9
119.08600	0.8
121.06506	1.2
135.08038	1.2
136.07582	5.8
136.29843	0.6
137.06042	3.1
146.05989	6.2
146.11778	0.6
147.04439	0.7
150.70570	0.6
161.05956	0.9
174.05515	0.5
175.11182	0.8
185.64165	0.5
203.05229	0.5
234.06856	0.7
277.08728	0.9
309.12192	1.8
323.09149	0.9
337.10687	1.2
355.17270	100.0
356.17624	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	355.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
56.05026	3.0
64.52401	1.4
70.06588	6.8
70.51613	2.7
73.04768	4.2
76.49665	1.6
84.04518	2.1
89.03938	4.5
91.05797	5.1
93.07052	5.5
98.06062	1.7
103.05457	2.8
110.07182	3.3
112.07634	2.2
116.07104	2.2
117.03415	5.3
119.04953	1.8
121.06515	100.0
122.06840	6.8
135.04434	7.7
136.07680	1.5
138.09157	26.5
138.10193	1.7
139.09428	1.3
144.06590	3.9
145.02852	5.3
147.04462	2.1
147.69983	1.6
153.01848	3.1
163.03920	37.9
185.04219	5.4
186.07616	19.5
193.01175	1.8
200.84407	1.6
207.02963	1.6
211.00935	2.8
213.12329	2.2
219.02875	1.6
229.56479	1.6
247.02750	2.4
251.01942	2.7
253.01941	2.4
259.96185	2.4
275.02094	2.0
282.97763	1.6
285.01163	2.3
337.02051	3.1
355.06342	23.2
355.10278	5.5
356.06790	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	355.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36375	1.1
69.67873	2.8
69.68185	1.4
70.06587	3.7
73.04767	2.6
73.83231	1.0
89.03948	1.0
91.05431	2.5
93.07059	5.3
95.04981	1.7
98.73697	1.1
102.57122	1.1
103.05486	4.3
110.07162	2.7
113.13426	1.0
116.07165	1.3
121.06516	100.0
122.06863	3.3
135.04434	3.4
138.09143	28.4
144.06552	2.0
150.49112	1.0
153.01863	1.4
154.54376	1.1
156.07759	1.3
163.03912	9.1
185.04242	9.4
186.07660	7.1
193.01079	2.4
211.00938	1.8
213.12335	2.5
219.02892	2.1
220.14308	1.2
229.02106	1.2
247.02573	1.4
337.01736	1.4
355.06329	16.5
355.10098	2.4
356.06134	1.8
373.06146	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.5
57.03434	6.0
57.07076	15.2
67.05507	60.6
69.04238	4.6
69.04655	13.8
69.07075	37.6
70.06578	13.0
71.08628	7.3
74.21362	1.9
79.05494	16.5
81.07056	75.0
83.08616	29.5
85.10158	2.3
88.07632	20.6
91.05455	18.0
93.07045	25.4
93.69793	1.9
95.08608	68.5
96.08965	2.7
97.06536	8.5
97.10187	15.8
99.08043	4.7
102.09180	4.8
105.07014	10.0
106.08672	6.4
107.08604	12.7
109.10161	25.3
111.08059	3.5
111.11707	3.6
119.08588	10.1
121.10147	22.6
123.11720	19.0
133.10149	12.3
134.10509	2.1
135.11693	10.1
137.13255	8.0
141.12708	2.4
145.10097	2.1
147.11684	7.7
149.13260	9.6
151.14792	3.6
161.13243	8.9
163.14816	10.3
165.16377	4.1
175.14796	9.1
241.95631	2.1
245.22685	34.3
263.23724	33.4
301.24832	2.0
337.27454	22.5
338.34106	6.8
355.22354	6.2
355.28329	3.8
355.33789	3.6
356.35223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69129	4.1
55.05514	41.7
55.05744	6.8
57.03442	8.3
57.07071	13.0
65.49702	4.1
67.05509	72.4
69.07068	57.5
70.06589	11.3
71.08636	10.4
79.05498	27.8
81.07059	100.0
83.04975	7.1
83.08629	40.4
88.07639	21.2
91.05498	19.5
93.07035	29.7
95.04987	4.7
95.08615	77.9
96.08986	4.4
97.06541	13.2
97.10168	30.4
102.09206	7.7
105.07037	16.1
106.08672	8.8
107.08611	18.4
109.10162	47.1
111.11727	7.5
119.08574	23.9
121.10160	18.0
123.11749	22.5
126.94645	4.6
133.10100	10.3
135.11697	13.6
137.13222	9.2
147.11716	12.4
149.13284	10.3
151.14848	7.8
161.13272	15.6
163.14816	10.6
175.14825	11.2
189.16325	6.2
245.22650	35.5
263.23755	32.3
277.68820	4.5
295.47299	4.6
337.27426	23.9
337.31180	3.9
337.33026	4.8
355.16898	6.5
355.24258	10.5
355.28510	13.4
355.33948	95.7
356.34354	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	356.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
65.03941	0.4
69.16917	0.9
69.17326	1.7
70.06593	3.1
72.08159	9.1
91.05485	8.1
92.05818	0.4
98.23364	0.9
114.09166	0.9
116.07114	5.5
119.04951	23.8
120.05257	0.6
136.64095	0.4
147.04420	100.0
148.04729	3.3
172.03970	0.4
181.11688	0.4
201.03720	1.7
202.04219	0.5
203.05209	0.4
215.14049	0.7
355.17285	1.4
356.17667	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	356.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.5
69.51117	0.9
69.51502	1.2
74.02577	0.4
82.67218	0.4
91.05489	9.6
98.23319	0.9
103.03888	0.4
119.04951	22.3
120.05273	0.9
147.04417	100.0
148.04771	4.0
176.77878	0.6
215.63313	0.4
237.56580	0.5
289.84689	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	356.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
70.06596	2.9
71.09566	2.3
89.03910	2.1
89.71745	1.4
90.04272	1.8
91.05505	2.4
117.03417	1.6
121.02863	2.1
123.04446	2.3
131.04915	1.9
135.04390	3.7
136.04770	3.4
144.20572	1.6
145.02803	2.8
146.03210	2.0
147.04405	14.6
149.02374	6.8
149.06006	1.7
159.04468	2.5
163.03925	27.1
164.04227	17.1
175.03903	3.6
177.01859	6.1
177.05479	4.0
187.03957	2.4
189.05438	2.6
200.50957	1.9
201.05525	1.5
203.03400	100.0
204.03790	3.7
205.04965	8.5
206.05464	2.3
215.03445	8.6
220.96342	1.7
229.05090	2.2
231.02809	11.5
233.04489	3.7
234.14961	2.0
260.06564	1.7
261.03922	6.0
279.04968	20.4
280.05402	2.7
291.05023	15.3
321.06052	4.2
339.07040	9.0
356.06470	2.0
356.20569	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	356.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
65.03934	0.7
69.03429	0.4
69.65143	1.4
74.50264	0.3
79.90097	0.3
91.05489	8.8
95.04980	0.4
105.76356	0.3
106.03735	0.3
106.41792	0.4
119.04955	23.1
120.05282	0.9
123.04453	0.4
141.65480	0.3
147.04416	100.0
148.04759	3.2
200.42928	0.3
219.83205	0.4
325.60315	0.3
339.07135	5.9
379.14688	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	356.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.0
58.99587	11.3
67.05518	28.6
73.87608	5.9
75.76307	5.2
76.02226	7.6
79.05499	26.6
81.07059	22.2
86.99062	5.4
88.02234	28.0
91.05489	61.3
93.07055	28.5
95.04972	5.9
95.08616	16.2
97.23841	6.9
105.00117	7.2
105.07021	25.9
107.04984	8.6
107.08598	9.4
111.04436	12.2
115.05443	8.4
117.07022	63.9
119.08581	11.9
120.30281	6.2
121.06499	13.5
122.02740	52.1
128.06213	25.2
129.07008	100.0
131.08578	37.0
133.06509	9.0
134.02660	7.7
135.04430	29.1
137.05998	17.3
141.07031	15.1
143.08574	52.6
145.06543	7.8
145.10141	31.5
147.04362	8.1
149.06012	12.1
156.09372	8.2
157.10100	7.3
161.06013	25.7
163.07574	8.1
169.10181	29.3
171.11726	59.6
172.03957	21.7
175.07596	22.9
189.09084	24.7
193.03242	7.1
195.09955	10.8
199.11168	38.1
204.06502	35.0
215.10730	21.6
217.12260	69.4
217.72919	5.8
231.08368	11.0
249.09492	27.5
321.11633	49.6
338.14227	62.3
356.11526	6.7
357.15088	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02377	0.8
53.03950	5.5
55.01867	0.5
68.66314	0.3
69.07068	0.3
71.29237	0.4
77.03921	1.5
78.47527	0.2
79.05486	0.4
81.03426	0.6
81.07024	0.3
91.05448	0.3
95.04971	7.7
105.03394	100.0
105.04539	3.5
105.07027	1.0
106.03729	2.5
139.82944	0.3
167.47789	0.2
189.14507	0.3
196.82770	0.3
250.12372	1.8
328.16953	0.7
333.19003	0.5
356.16452	3.4
356.35144	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	356.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
57.52650	0.8
63.24798	0.9
69.22263	1.9
69.22665	2.5
70.06595	100.0
71.06926	2.1
74.06077	8.8
86.09712	1.0
98.23360	1.5
116.07092	17.5
126.05587	1.0
144.06581	0.9
170.35220	0.9
183.14978	1.8
198.90410	0.8
213.12344	72.7
214.12732	2.9
252.72827	0.8
272.02948	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	356.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
53.69915	2.6
57.03431	6.9
67.05523	4.9
69.19197	13.6
69.19597	4.5
70.06584	4.9
81.01389	2.5
81.07082	4.6
85.02911	20.7
85.10147	6.2
86.09710	10.0
95.08607	51.4
97.02892	4.0
98.66373	2.6
105.03397	22.2
106.03741	15.0
113.09645	71.0
123.08089	7.3
127.03925	3.3
131.10684	100.0
132.11008	3.3
147.04411	4.3
177.11229	20.9
179.07076	4.3
180.07368	6.6
193.04987	2.7
194.05180	3.3
197.12863	2.9
261.54050	2.7
357.10889	51.3
357.14798	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
55.05324	1.1
55.05520	13.3
57.07067	4.2
58.90328	1.2
65.44994	1.4
65.70418	1.2
67.05497	5.3
68.92857	1.0
69.07069	12.8
70.06598	12.7
71.04996	4.2
71.29843	1.9
72.08153	6.4
79.05495	5.4
81.07068	12.9
83.08617	8.0
88.07635	17.7
90.09212	1.8
91.05473	1.7
93.07051	3.6
95.08623	5.1
97.06600	1.4
97.10182	2.2
102.09186	4.8
105.07042	4.1
106.08675	6.6
107.04980	2.0
107.08600	4.0
109.06513	4.2
109.10165	2.6
111.04439	1.5
119.08608	3.2
119.93632	1.3
121.06498	1.2
121.10138	3.6
123.08121	2.3
131.08588	3.4
135.11649	2.9
145.10028	2.4
147.11688	2.3
149.13266	2.3
163.11185	1.2
187.71646	1.1
203.18040	1.3
247.24380	1.3
257.19022	2.1
275.20084	11.9
296.69366	1.3
307.22736	7.3
338.34164	5.4
356.35226	100.0
357.35510	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	356.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05518	10.0
57.07076	1.8
58.06596	0.9
60.04544	0.3
67.05503	0.5
69.07072	7.3
69.26698	0.8
69.27108	0.8
70.06599	14.2
71.08616	0.6
74.06101	0.3
82.83288	0.3
83.08632	4.1
85.10178	0.3
88.07638	17.3
97.10172	1.5
101.91953	0.3
102.09186	4.5
102.16647	0.2
104.07133	0.3
105.03401	4.3
106.03760	0.2
106.08674	8.1
159.70924	0.3
161.57944	0.2
174.06194	0.3
177.99870	0.3
235.07539	3.2
296.62112	0.3
299.22723	0.3
312.32620	0.5
338.34161	5.0
339.34579	0.3
356.35236	100.0
356.81039	0.3
357.35580	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	356.3523
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05515	8.2
57.07088	1.9
58.06615	0.4
62.06079	0.4
69.07072	6.7
70.06596	11.6
70.45268	0.6
71.08630	0.5
83.08632	3.6
85.10232	0.3
85.71643	0.3
88.07634	15.2
91.45686	0.3
95.41174	0.3
97.10158	1.4
101.90391	0.3
102.09183	4.3
106.08672	7.9
110.16312	0.3
125.63882	0.4
157.60234	0.3
192.79984	0.3
235.12811	0.3
257.71213	0.3
312.32819	0.5
331.80463	0.3
338.34177	4.9
339.34619	0.3
356.35226	100.0
357.35529	9.3
368.28122	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	357.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69556	1.9
55.82528	1.9
65.03944	6.0
70.06601	12.4
71.06934	2.8
81.05267	2.0
84.08152	4.6
86.09727	2.1
91.05473	24.1
103.31783	2.4
105.07056	2.1
109.64626	2.1
119.04946	35.8
120.05273	3.1
127.20004	2.1
145.02831	3.7
145.43900	2.5
147.04417	100.0
148.04723	10.8
153.01892	4.0
163.03935	7.5
164.04262	2.5
165.04483	4.9
191.03514	2.4
193.40340	2.0
194.08078	2.6
203.03419	2.8
215.72383	2.0
219.02911	6.7
239.01758	3.8
247.02451	3.2
286.07953	2.2
287.00681	2.7
289.95966	1.9
293.03052	4.2
316.68274	2.1
321.87494	2.1
357.06937	3.6
357.24945	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	357.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11940	0.3
52.77177	0.3
64.50594	0.5
64.88698	0.3
69.03429	0.4
70.06575	0.9
84.08121	0.4
91.05447	0.4
95.04972	0.4
95.69186	0.3
95.76298	0.3
96.28531	0.3
102.04681	0.4
103.05467	0.3
105.07009	0.4
111.04446	0.3
115.05434	0.4
119.08613	0.3
119.33681	0.3
121.06478	0.4
133.06497	0.4
137.05971	1.3
147.04419	0.8
148.04749	0.7
149.06000	0.5
153.05486	0.4
161.05962	0.9
167.03358	0.4
167.07089	0.6
172.03957	0.4
177.05396	0.4
185.04224	12.7
195.09935	79.1
196.10237	2.8
203.05214	0.6
203.07042	0.7
204.06520	0.9
219.08206	0.3
241.07851	0.3
281.14050	0.3
297.11102	0.7
325.10791	1.5
357.15213	100.0
358.15707	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95450	0.2
70.33923	0.4
70.34233	0.4
81.33498	0.2
91.05491	0.7
97.15611	0.3
120.36553	0.2
185.04141	0.3
195.13538	0.3
205.16165	0.3
296.80701	0.3
357.18842	100.0
358.19189	6.6
374.93958	0.3
378.01465	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	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26003	0.4
53.03952	0.5
53.46894	0.4
55.05504	1.0
60.04498	0.4
65.03920	0.4
67.05498	1.3
70.06599	3.2
71.06937	0.6
71.29268	0.5
72.08164	0.5
77.10114	0.4
78.25153	0.4
79.05501	3.0
81.07064	2.0
83.04984	0.5
83.08623	0.9
84.08145	1.3
85.06519	0.4
85.77768	0.4
86.09708	0.8
88.04014	0.6
91.05495	2.7
93.07056	1.5
94.04192	1.3
95.04963	0.9
95.08605	1.6
95.80364	0.4
104.06263	0.5
105.07042	1.1
107.04963	1.3
107.08588	1.4
109.06544	0.7
112.73808	0.4
112.95876	0.4
115.05454	1.4
117.07027	2.1
119.08548	0.8
121.06496	0.6
121.10120	0.6
122.02814	0.8
122.03642	5.5
124.92671	0.4
129.06979	0.6
129.10286	0.6
131.04993	0.6
131.08580	1.1
133.06433	0.4
133.10124	0.5
137.05984	70.5
138.06342	3.5
143.04932	4.2
145.06483	0.5
145.10188	0.6
147.04454	0.5
151.03926	9.2
151.05011	0.7
157.10191	0.4
159.11728	2.4
162.10243	0.5
173.13290	0.9
175.07545	0.8
191.08871	0.5
203.07013	1.2
205.08626	1.7
219.13849	0.5
226.62032	0.4
296.21021	0.7
303.65427	0.4
327.12292	7.8
340.15738	0.9
357.13483	12.0
357.18811	100.0
358.09744	0.5
358.13870	1.3
358.19214	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	357.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29091	0.4
53.98740	0.4
55.05497	1.1
56.05042	0.8
62.85954	0.5
63.15783	0.5
67.05498	2.1
69.07056	1.1
69.54939	2.6
70.06590	1.3
71.05001	0.6
72.08146	1.8
79.05474	0.9
81.07048	5.0
83.06104	4.4
84.04507	19.2
84.08137	0.7
86.09708	5.0
91.05468	2.1
93.07042	1.0
95.08613	1.5
97.06508	0.5
101.07160	2.5
102.05539	2.2
105.07043	2.5
107.08587	1.8
119.08583	1.6
121.10154	1.2
123.11669	1.4
129.06602	6.6
130.05000	14.0
135.11688	0.7
136.26628	0.5
137.05983	4.0
147.07643	5.1
147.11650	3.8
151.03983	0.7
165.12750	2.3
177.05452	0.6
182.15427	1.2
185.16501	1.0
210.14890	3.9
213.16031	0.6
228.15938	1.7
229.14389	0.7
294.16931	1.1
321.18112	2.4
343.06934	0.5
357.18839	100.0
358.19174	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	357.2634
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.05510	33.9
58.89157	7.5
59.90829	7.2
67.05499	26.4
69.03417	18.1
69.07077	76.2
70.03864	7.1
70.06583	11.1
79.05495	23.6
81.07064	100.0
83.04964	10.1
83.08603	9.5
85.06533	14.4
91.05481	23.6
91.72317	7.2
93.07053	43.2
95.04967	12.3
95.08607	64.9
97.06548	14.8
97.10168	50.4
98.23337	26.0
99.08085	22.6
105.07034	23.7
107.08588	44.2
109.06526	8.5
109.10150	23.1
111.08085	21.8
111.11709	18.4
119.08584	27.6
121.06526	9.1
121.10195	41.8
123.11720	47.2
124.10635	9.4
133.10139	15.1
133.29305	7.0
135.11723	20.9
137.05977	9.1
137.13272	9.7
139.11203	35.9
145.10080	14.7
147.11674	19.3
153.12744	21.0
157.12247	33.0
161.13324	11.7
163.11301	8.5
165.12741	9.0
169.16142	7.5
172.04001	13.2
203.12759	12.0
204.06584	18.0
229.85817	7.9
275.23868	9.7
302.02908	16.3
303.23181	31.6
321.24280	59.3
339.25406	23.5
357.24841	13.6
358.09167	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	357.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	33.9
58.89157	7.5
59.90829	7.2
67.05499	26.4
69.03417	18.1
69.07077	76.2
70.03864	7.1
70.06583	11.1
79.05495	23.6
81.07064	100.0
83.04964	10.1
83.08603	9.5
85.06533	14.4
91.05481	23.6
91.72317	7.2
93.07053	43.2
95.04967	12.3
95.08607	64.9
97.06548	14.8
97.10168	50.4
98.23337	26.0
99.08085	22.6
105.07034	23.7
107.08588	44.2
109.06526	8.5
109.10150	23.1
111.08085	21.8
111.11709	18.4
119.08584	27.6
121.06526	9.1
121.10195	41.8
123.11720	47.2
124.10635	9.4
133.10139	15.1
133.29305	7.0
135.11723	20.9
137.05977	9.1
137.13272	9.7
139.11203	35.9
145.10080	14.7
147.11674	19.3
153.12744	21.0
157.12247	33.0
161.13324	11.7
163.11301	8.5
165.12741	9.0
169.16142	7.5
172.04001	13.2
203.12759	12.0
204.06584	18.0
229.85817	7.9
275.23868	9.7
302.02908	16.3
303.23181	31.6
321.24280	59.3
339.25406	23.5
357.24841	13.6
358.09167	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	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.7
55.05512	54.4
56.05848	2.7
57.03442	12.9
57.07079	35.0
59.59819	1.8
67.05511	59.2
69.07072	71.9
70.06600	6.3
70.07409	2.8
71.08632	21.4
76.05286	1.8
79.05502	38.6
79.05963	2.1
81.07063	73.8
82.07388	2.3
83.04983	3.3
83.08624	50.1
85.06557	3.5
85.10190	12.0
88.07653	11.9
89.07979	2.9
91.05487	6.3
93.07048	46.7
94.05146	1.9
95.08615	60.9
96.08940	3.3
97.06530	26.8
97.10177	37.7
98.23380	5.0
102.09180	2.6
103.03945	5.7
105.07043	2.7
106.08678	7.1
107.08587	40.6
107.88915	1.8
108.08954	2.4
109.10162	34.5
111.08092	12.1
111.11742	11.8
115.07569	2.2
121.10149	72.4
123.11714	12.4
125.09667	6.9
125.13232	3.3
129.05489	2.4
129.09067	2.2
134.41515	1.9
135.11700	57.9
136.12056	3.5
137.13237	3.9
139.11183	6.0
141.08475	1.8
145.96057	1.7
146.25171	2.0
149.13286	21.2
149.61870	2.2
151.14792	6.5
153.12808	4.0
163.14825	11.5
165.16405	6.2
167.14285	4.0
177.16429	6.2
181.15894	3.6
191.17963	4.0
195.17389	2.8
205.19615	3.2
231.18817	2.5
247.24214	63.0
248.24515	4.0
265.25299	46.5
266.25690	3.0
283.26254	4.1
339.28943	34.5
339.34634	6.0
340.29364	2.7
357.26120	3.9
357.30310	6.2
357.35565	100.0
358.36102	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	358.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89735	1.1
58.01352	1.1
60.08168	5.2
69.21714	8.8
70.06599	3.1
71.07369	2.0
86.07167	1.2
86.09711	28.4
94.93013	15.5
96.92830	17.0
98.92661	2.2
98.98473	3.2
109.91708	1.4
111.91515	1.1
125.00007	19.3
127.03737	1.1
133.39807	1.2
153.60049	1.1
156.97411	1.5
160.90160	1.6
175.11943	3.5
178.87436	1.4
183.99258	1.0
184.07346	100.0
185.07634	1.8
188.89726	1.9
190.89401	2.6
196.87740	3.0
200.91177	1.1
204.87047	8.3
206.86861	8.8
208.86713	6.5
214.84128	2.2
238.88792	2.8
265.80789	1.4
268.07022	3.8
274.07797	1.3
276.85944	1.5
283.07150	1.4
286.08121	1.9
301.01736	1.2
302.01941	3.9
303.01511	2.5
312.09583	5.4
340.09088	6.2
358.04800	3.3
358.10104	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	358.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
107.04850	5.2
119.04918	12.9
123.04443	23.0
126.82873	5.4
147.03354	7.7
147.04422	100.0
149.06029	5.5
153.01759	4.6
159.27708	4.7
161.05968	5.3
165.05519	13.7
172.73885	5.7
187.03902	6.2
189.05571	10.7
194.49446	4.8
195.04657	4.4
199.03815	5.3
217.04967	20.8
263.05527	36.0
289.88110	4.4
323.07523	33.6
325.97827	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	358.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63819	0.3
53.78770	0.4
57.50581	0.3
63.02402	0.5
65.03945	0.7
65.27254	0.3
66.32825	0.3
69.70022	1.7
78.04737	0.5
79.05479	1.0
89.03918	7.8
91.05475	1.7
95.04977	0.6
98.22649	0.4
103.05456	1.0
103.34696	0.3
103.83269	0.3
105.07023	1.7
106.04158	0.7
107.04957	0.7
117.03386	25.9
119.04967	0.4
121.06492	0.9
131.04919	0.4
133.02910	0.3
133.06483	1.1
134.03641	1.6
134.07288	0.8
135.04419	2.5
135.08026	0.5
137.05977	0.9
138.06311	0.5
145.02849	56.1
146.03169	2.6
149.05988	8.4
150.06801	4.3
151.03831	0.5
165.09128	6.5
167.07126	0.7
175.07437	0.4
177.05472	100.0
178.05841	4.8
178.07384	0.6
181.04979	0.7
184.84319	0.4
186.05495	0.8
191.07043	0.7
208.08536	0.4
222.06383	0.3
223.07613	0.4
264.07474	0.4
283.09439	0.4
298.11404	0.4
313.10690	0.4
326.11005	1.0
328.12662	0.8
358.13446	2.5
359.14838	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	358.2699
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
51.81868	0.5
55.05513	0.9
65.66563	0.5
67.05518	0.7
69.07072	7.1
70.06593	1.9
70.07393	0.8
70.07767	1.1
72.08144	1.8
73.96725	0.5
81.07048	1.0
83.35409	0.5
84.04504	0.7
84.08140	0.7
86.09709	100.0
87.10047	1.6
93.07027	1.0
105.07022	0.8
107.04980	1.4
122.41788	0.5
132.10187	0.9
137.06007	1.1
145.02878	0.9
147.08185	0.5
177.05524	1.3
199.18065	28.0
200.18369	1.2
200.38393	0.6
218.56305	0.6
225.05267	0.5
227.17538	9.6
245.18646	3.3
358.17526	0.5
358.25391	0.6
359.07535	1.6
359.24075	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	358.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05295	0.1
55.05511	0.6
57.07078	7.2
58.06604	0.8
58.07406	0.2
60.04543	0.1
62.06087	0.5
68.05030	0.4
69.07054	0.4
70.06592	14.6
71.06926	0.3
71.08634	3.6
72.08155	0.3
74.06105	0.3
75.68006	0.1
83.08597	0.2
85.10197	1.4
86.06065	0.4
87.04472	0.4
88.07631	17.8
89.07948	0.3
93.07072	0.2
101.11939	0.1
102.09180	4.6
104.07113	0.1
105.06954	0.1
106.08664	9.2
126.96832	0.1
134.91537	0.1
138.56216	0.1
150.57759	0.1
223.33617	0.1
296.33032	0.3
298.31003	0.2
310.34702	0.3
314.34109	0.8
340.35724	6.9
341.36014	0.5
347.05634	0.1
358.36774	100.0
359.37131	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	359.0396
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
55.03061	0.3
59.60194	0.3
69.33247	0.3
71.29684	0.4
73.08586	0.3
81.06994	0.3
85.90800	0.4
102.04656	0.4
104.06240	0.4
128.02542	0.4
158.03561	0.6
160.01363	0.5
166.30005	0.3
174.03128	0.3
186.03088	4.8
189.01782	0.9
202.02605	0.9
212.00987	0.6
213.01755	0.4
214.02585	2.2
216.04092	0.4
217.01321	0.7
225.01852	0.5
227.03296	0.5
229.01302	0.6
230.02042	0.9
231.02904	0.3
240.00534	1.5
241.01315	0.8
242.02107	6.0
243.02666	0.9
244.03624	0.7
245.00792	2.3
245.04443	0.4
248.03224	0.4
254.02119	0.7
255.02846	0.6
257.00833	1.2
258.01630	1.9
259.02393	0.3
268.00189	0.5
269.00711	0.7
270.01605	20.4
271.02136	2.8
271.99823	0.3
272.03076	1.3
273.00284	1.7
273.03781	0.6
275.01688	0.5
285.00333	1.2
286.01086	0.7
287.01965	0.9
288.02567	1.3
295.99539	1.1
297.00281	6.3
297.21823	0.4
298.01083	12.3
299.01459	1.0
300.02612	1.1
300.99771	10.9
301.03418	3.4
302.00467	2.3
302.03607	0.5
312.99893	0.8
314.00574	0.9
315.01349	1.7
316.02011	0.5
326.00589	23.9
327.01016	1.5
328.99234	10.6
329.02988	4.4
329.99704	0.9
330.03284	0.4
343.00824	2.7
344.01627	49.1
345.02032	3.6
359.03973	100.0
359.21890	1.3
360.04318	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	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.41148	0.9
55.94995	1.0
57.03441	100.0
69.74218	2.6
69.74604	1.9
72.02250	1.1
73.64375	0.9
79.05471	1.3
91.05490	2.4
94.04200	1.4
95.04988	1.0
95.08588	1.2
103.05436	1.2
105.07026	4.2
109.06516	1.1
115.05473	1.6
115.48579	1.1
119.04955	1.1
121.06509	2.5
122.03668	3.0
129.07019	2.6
131.04947	1.0
133.06511	4.2
137.05986	33.0
147.04475	1.3
147.88037	1.1
149.05943	2.0
151.03928	3.6
151.07562	1.6
153.05507	1.1
153.06906	1.2
157.06526	5.8
161.05991	50.8
161.09637	2.3
162.06325	2.9
165.07062	3.3
165.09125	3.3
181.06535	4.4
181.08664	1.2
182.07266	1.8
189.09108	17.7
193.06723	2.4
193.08601	19.5
194.07191	1.6
209.05946	1.6
210.06779	4.5
211.07518	1.1
213.09143	1.4
215.03386	1.0
217.08609	15.4
221.06041	2.5
222.06824	1.2
223.07411	1.3
225.09172	6.2
227.07097	1.2
237.05531	2.0
238.06271	3.4
241.08598	2.4
251.07060	2.1
252.07806	1.1
253.08607	24.2
254.09026	2.7
259.07376	1.2
269.08032	6.3
270.08844	3.1
273.11282	5.8
281.11893	2.1
283.09610	2.3
284.10422	13.8
285.11191	15.3
309.11218	34.0
310.11511	3.2
329.13882	10.7
341.13846	29.3
342.14160	2.7
359.11288	1.4
359.14868	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	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
61.02922	2.2
67.05502	1.0
69.03436	3.0
69.74610	2.6
70.75494	0.7
79.05499	3.1
81.03401	0.9
81.07059	1.9
85.02915	9.6
85.60005	0.7
86.09706	1.6
87.04464	0.8
91.05474	3.5
93.07061	5.3
95.04932	0.8
95.08620	0.9
97.02890	1.6
97.06512	0.8
105.07030	7.5
107.08595	38.4
108.08947	1.2
109.02896	1.5
109.06528	0.9
109.10195	1.3
119.04982	1.0
119.08585	5.8
121.06531	1.2
121.10165	5.9
123.18581	0.7
127.03955	1.2
131.08592	1.3
133.10130	20.8
133.11067	1.4
137.05980	1.9
137.09650	1.0
139.07536	1.9
149.09666	4.4
151.07538	1.3
151.11224	7.1
152.98689	0.7
161.09610	5.7
167.10681	14.3
168.11079	0.6
179.10678	15.6
180.11028	1.5
197.11739	100.0
198.12109	5.4
232.03148	0.7
359.16489	0.9
364.96033	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.48055	0.7
53.03954	1.3
55.01880	1.9
57.03431	2.7
61.02916	3.5
67.05506	2.0
69.03432	7.1
69.07088	0.9
70.17849	2.4
71.04982	1.2
73.02937	1.6
75.56947	0.8
79.05480	2.7
81.03426	2.9
81.07070	2.2
83.13961	0.7
85.02909	28.8
86.09718	1.9
87.04439	1.2
91.03978	1.3
91.05483	6.1
93.07044	7.9
95.04968	3.3
95.08617	1.1
97.02894	6.7
99.04468	0.9
105.07037	9.4
107.08598	19.8
109.02900	2.8
109.06495	2.1
109.10171	2.6
117.03359	1.0
119.04914	1.3
119.08583	2.6
121.06494	3.5
121.10199	0.8
123.04436	2.5
127.03925	6.5
131.08629	0.8
133.10135	24.0
134.10484	1.5
135.08023	0.9
135.11696	22.3
135.12692	1.4
136.12047	1.1
137.05998	3.5
137.09608	2.3
145.02820	1.9
145.04962	2.1
147.04454	0.8
149.05934	1.2
151.03938	0.9
151.07552	1.9
151.11195	1.1
153.01912	0.8
161.05922	0.7
161.09624	12.6
162.10017	1.0
163.07489	1.5
167.03435	2.2
169.02005	0.8
177.05467	3.4
179.10678	41.4
180.10999	1.9
191.06989	2.2
193.06512	0.7
194.08104	1.2
197.11739	100.0
198.12102	4.9
208.09698	3.5
327.08539	1.3
359.11441	1.7
359.16656	3.8
360.14600	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23930	0.4
52.78928	0.3
53.03944	0.7
54.70113	0.4
55.01857	0.5
55.10207	0.4
57.03442	0.9
61.02919	1.7
69.03442	2.5
72.08144	0.6
79.05480	0.7
81.03424	1.2
85.02909	12.5
89.03910	4.2
91.03957	0.7
91.05479	0.5
95.04978	0.4
97.02900	3.3
98.22652	1.2
99.04478	0.5
107.04940	1.8
109.02882	0.9
117.03380	7.7
126.15262	0.4
127.03935	2.4
135.03381	0.8
135.04419	15.8
139.03912	1.3
145.02856	12.8
145.04895	3.3
146.03185	0.6
163.03911	100.0
164.04234	4.2
177.05533	0.5
180.08664	0.9
181.04965	37.4
182.05403	1.1
298.61359	0.5
326.61343	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.6
55.05513	1.0
57.03431	0.8
58.12046	0.5
61.02911	0.7
61.91243	0.5
63.31641	0.5
68.05045	1.2
69.03419	3.0
69.19323	2.7
70.06592	1.9
72.07752	0.8
72.08159	13.2
73.08497	1.4
78.81797	0.4
81.03425	1.3
83.06096	0.6
84.04514	2.5
84.08138	2.0
85.02910	13.1
86.06076	6.2
86.09699	4.9
87.10029	0.8
89.03923	3.0
90.38524	0.5
97.02892	4.2
99.04426	1.0
102.05547	1.0
107.04970	1.6
111.98501	0.5
115.54016	0.6
117.03385	7.1
127.03930	1.8
129.06499	0.5
129.10240	0.5
130.04999	1.0
132.06549	0.5
135.04417	14.2
143.11772	0.7
144.06581	1.9
145.02853	12.2
145.04913	3.3
162.07605	3.5
163.03908	100.0
164.04234	3.4
171.11284	0.9
171.14914	3.4
180.08746	1.0
181.04959	42.7
182.05309	1.7
198.07620	0.6
199.14473	0.9
227.17410	0.5
231.15810	1.1
247.09253	1.7
360.13864	1.8
360.20288	0.6
361.18420	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	0.9
60.04518	1.3
65.03937	0.9
69.03434	1.6
69.07037	1.3
70.05019	1.9
70.05383	1.6
70.06596	7.4
79.05488	1.4
81.03421	1.5
81.04826	0.9
81.07030	1.0
85.02909	2.6
86.09715	1.6
89.03928	1.9
91.05479	2.1
104.05337	1.2
117.03402	8.2
121.02882	3.4
133.02858	2.5
135.04425	3.8
145.02861	17.3
149.02351	100.0
149.05983	2.9
150.02704	2.1
155.46544	0.8
163.03917	66.8
163.11131	0.9
164.04265	2.6
167.03453	2.1
177.05466	29.1
181.04964	27.1
192.12201	0.9
194.08253	1.2
199.91328	0.9
229.15494	2.3
299.25766	1.0
329.18054	1.0
360.19815	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
56.05030	0.9
59.50314	0.7
65.03942	0.9
69.03426	1.5
70.06612	5.1
72.08155	12.3
81.03438	1.0
84.04498	3.0
85.02898	4.0
86.09715	11.9
89.03912	4.2
91.05460	0.9
97.02915	1.3
97.06460	0.8
98.22563	2.0
102.05541	2.7
107.04940	2.3
109.02847	1.3
114.03532	0.8
116.07090	2.9
117.03381	7.8
118.08672	1.0
120.08084	1.5
123.04453	1.7
127.03944	1.2
129.10310	0.8
132.10234	1.2
135.04424	15.7
138.09120	1.0
145.02818	12.9
146.05956	1.1
153.01849	1.4
163.03906	100.0
164.04228	3.3
167.03319	2.0
172.11551	1.2
175.69235	1.0
177.05472	3.3
178.03229	1.2
181.04958	33.9
182.05312	1.0
183.11275	2.8
185.16573	1.5
191.06989	1.2
201.12323	3.1
204.56081	0.8
213.12498	0.9
215.13892	2.4
217.13652	0.8
229.11865	2.3
243.13435	2.2
251.30972	0.8
360.05331	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	360.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57110	2.7
54.21491	3.4
61.01151	100.0
70.06591	21.8
71.04997	27.3
71.29430	3.0
71.29805	4.1
72.08160	16.6
74.06065	3.7
84.04503	3.6
84.08140	15.4
85.02906	14.6
86.06061	25.2
86.09705	34.2
89.30226	3.0
97.02872	6.2
99.02633	5.3
110.07246	4.8
116.07111	3.5
117.03725	96.9
129.10263	5.0
130.26668	3.2
135.04755	60.7
144.06609	4.2
145.03172	15.2
153.01775	6.7
161.12811	5.4
163.04276	42.4
173.12857	4.1
181.05315	41.5
185.16554	5.9
197.92180	3.2
213.16135	5.0
231.13420	14.3
259.12927	3.5
268.02740	4.5
274.65265	3.2
301.04593	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03421	0.9
63.18083	0.5
65.03935	0.5
68.99771	1.9
69.03422	0.9
70.06604	3.4
71.30759	0.7
79.05495	1.0
81.07043	1.2
83.01324	0.9
89.03891	0.9
91.05473	2.1
93.07042	1.1
95.04950	2.3
95.08603	1.1
103.05451	0.6
105.07019	1.8
107.04945	1.9
115.05472	0.5
117.03374	3.1
117.07030	2.9
119.04964	3.3
121.02896	0.6
121.06503	4.0
123.03564	1.1
123.04439	21.5
124.04809	0.5
135.04408	2.5
135.08081	4.0
136.07550	2.6
137.05978	1.5
139.03917	0.7
145.02867	5.5
145.06467	3.0
147.04404	8.1
149.05968	3.9
151.03886	2.1
157.06439	0.7
161.05989	1.6
163.03870	2.0
163.07558	15.1
165.05464	4.0
167.07040	0.8
172.07567	0.5
173.05998	7.0
175.07573	1.2
176.04683	0.5
176.07787	0.5
177.05487	9.6
179.07056	5.6
181.04967	0.6
184.47795	0.5
185.06026	0.7
187.07576	0.6
189.05533	0.6
190.07047	0.9
190.08640	11.7
191.07040	63.5
192.07426	3.2
199.06068	0.7
202.08632	0.5
203.07042	2.9
207.06561	2.2
208.09703	100.0
209.10014	5.5
220.09662	1.2
227.80325	0.6
263.34680	0.5
269.20056	0.5
289.51221	0.5
319.43124	0.5
325.10736	5.5
326.11093	0.8
342.13364	4.2
343.11618	3.5
344.49115	0.6
360.05109	0.9
360.14462	22.6
361.14786	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03430	1.3
67.05509	0.8
68.99792	1.8
69.03430	1.1
70.06590	1.9
71.30899	0.5
79.05503	1.6
81.07045	1.2
83.01347	1.2
91.05468	1.9
91.13286	0.5
93.06995	0.7
95.04964	1.8
95.08602	0.8
105.07036	1.1
105.82545	0.5
107.04954	2.0
107.08614	1.7
108.74117	0.6
109.06541	0.6
115.05486	0.7
117.07013	3.1
119.05011	2.9
121.06503	4.0
123.03546	1.3
123.04434	19.7
131.04967	0.6
135.04414	2.1
135.08089	4.2
136.07581	2.7
137.05969	1.3
139.03925	0.9
145.06442	3.3
147.04411	7.0
149.05963	2.5
151.03905	1.9
153.05302	0.6
154.08423	3.7
157.06520	0.8
161.06006	2.5
163.03929	2.3
163.07564	14.5
164.07877	1.0
165.05498	4.4
167.07059	1.0
173.05983	8.1
176.04695	0.9
177.05550	0.8
179.07039	6.1
185.04175	1.5
187.07555	0.8
190.08630	12.1
191.07042	63.1
192.07387	2.5
198.07431	6.4
203.07011	1.5
208.09700	100.0
209.10059	4.4
220.09644	1.1
305.76724	0.6
325.10663	4.2
342.13388	3.0
343.11783	3.6
360.14557	18.3
361.14612	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58318	0.3
55.01865	0.9
57.03413	1.3
67.05506	0.5
68.99780	1.9
69.03413	0.8
69.72357	1.6
70.06600	2.6
77.19710	0.3
79.05494	0.8
81.07049	1.1
83.01318	1.3
86.09682	0.5
86.96293	0.3
91.05482	2.3
93.07021	1.0
95.04978	2.3
95.08611	0.8
103.05466	0.8
105.07017	1.4
107.04937	1.2
107.08585	1.4
108.10829	0.3
109.06513	0.3
115.05445	1.2
117.07041	3.4
119.04916	2.6
121.06512	4.0
123.04434	20.4
124.04744	0.7
125.54767	0.4
129.06947	0.6
130.81956	0.3
131.04904	1.3
133.06451	0.3
135.04448	2.6
135.08049	3.6
136.07568	2.3
137.05960	2.3
138.06328	0.5
139.03876	0.8
145.02792	0.6
145.06500	3.4
147.04417	8.2
148.04970	0.5
149.06000	3.2
151.03880	1.6
154.08372	1.3
157.06464	0.8
161.05945	2.1
162.09117	0.4
163.03963	1.8
163.07550	14.8
163.08952	0.8
164.07889	0.4
165.05470	4.6
167.07011	1.2
173.05981	7.0
175.07596	0.7
176.04736	0.5
177.05472	1.2
179.03238	0.4
179.07042	6.0
185.04245	0.4
185.05937	0.5
187.07556	0.6
187.97495	0.3
188.07030	0.6
190.08641	12.5
191.07040	63.5
192.07407	2.7
198.07426	2.1
203.07071	2.1
207.06444	0.5
208.09702	100.0
209.10020	4.8
220.09746	1.5
221.08057	0.8
312.13559	0.5
325.10724	4.5
326.11154	0.4
342.13297	3.5
343.11725	3.3
360.14459	22.6
361.14703	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.2
55.33499	6.2
57.03429	10.5
59.10954	6.4
61.02924	8.9
69.03441	25.0
70.06612	10.0
70.58659	19.4
73.02931	7.8
77.38654	6.5
85.02908	100.0
85.53132	7.0
94.93031	16.5
97.02901	48.1
99.04454	7.8
102.68810	9.2
127.03916	82.2
145.04947	68.1
163.06042	16.5
175.11929	14.3
380.14072	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	360.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25180	0.8
55.05514	8.5
57.07064	1.7
67.05498	2.7
69.07061	3.0
70.06599	34.3
70.96032	1.0
70.96350	1.6
71.08635	3.2
72.08163	100.0
73.08487	1.3
79.05490	1.4
81.07047	3.4
85.06551	1.1
87.60854	0.8
91.05482	1.9
93.07037	3.4
95.04990	5.7
95.08611	6.2
97.06520	1.5
98.06065	23.3
99.08105	2.2
101.71311	1.1
105.07036	2.4
107.08617	4.4
109.06508	7.5
109.10186	2.2
112.18053	0.9
117.67886	0.9
119.08605	1.7
121.06529	2.7
126.09154	1.8
133.10146	2.8
140.10696	5.7
145.10175	0.9
147.11726	1.2
149.01050	0.9
154.12291	4.3
165.12770	34.0
166.13133	1.9
168.13835	1.2
173.13303	2.2
175.11066	1.1
182.15503	1.3
182.17918	1.0
188.84807	0.9
191.14316	1.0
193.05009	1.3
201.12790	1.4
208.16977	5.2
238.18190	4.3
246.18552	4.8
246.67287	1.2
262.21674	18.0
263.22006	1.0
271.20676	1.6
289.21643	2.1
299.44144	0.9
304.22458	1.2
342.27930	2.4
360.24808	1.8
360.28998	23.0
361.29059	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	360.955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26279	4.6
56.02206	3.7
71.27778	5.4
74.36338	3.8
80.28794	4.0
86.28106	4.0
92.37372	3.7
94.93045	6.1
132.49834	4.4
136.94005	40.2
151.40175	4.8
156.88606	5.9
164.93553	9.0
176.93462	7.7
208.02251	4.1
212.85196	100.0
240.88805	6.6
242.96524	7.8
251.69930	4.1
267.03256	4.7
278.95200	22.3
294.85846	4.5
342.87869	7.1
360.89136	6.9
361.08435	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	361.0918
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
50.71799	0.3
65.03899	0.3
69.07036	0.4
70.42103	0.3
71.30116	0.4
73.15456	0.3
79.05443	0.8
86.83921	0.3
91.05441	0.8
93.06982	0.5
95.04926	0.5
98.21136	0.3
103.05411	0.4
105.06980	0.5
107.04858	1.1
107.15402	0.3
117.06978	0.4
119.04883	0.8
121.02824	0.4
121.06442	1.2
122.03608	0.4
123.04322	0.4
128.06212	0.4
129.06964	0.9
129.87109	0.3
131.04854	1.2
131.08533	0.4
137.02274	0.7
137.05125	0.3
137.05975	2.8
139.07523	0.3
145.06467	0.6
147.04346	0.6
151.03856	0.5
151.07486	1.5
153.01785	0.5
153.05377	1.1
157.06454	0.6
161.05956	1.1
163.07553	2.7
165.01738	0.4
167.03429	1.9
167.07092	2.9
173.05881	0.6
175.03827	0.5
175.07443	0.3
177.09129	4.4
179.03314	0.3
181.05028	2.0
181.08604	2.0
189.09061	1.5
198.06735	0.5
201.05446	2.0
204.04050	0.8
205.04893	1.5
205.06718	0.4
207.02899	0.6
207.06459	0.5
212.04523	0.3
213.05365	0.4
217.04912	0.5
219.06491	1.3
221.11731	0.8
225.08961	0.5
226.06241	0.5
227.06984	0.4
229.04970	2.4
230.05486	0.4
232.03612	1.1
233.04391	1.3
240.03986	0.5
241.04887	0.6
241.08992	0.4
243.06540	0.4
247.06032	3.6
257.04480	6.8
257.06982	0.7
258.04953	0.6
259.02405	0.5
260.03134	3.4
267.02853	0.4
269.04239	0.6
270.01535	0.8
271.06021	0.5
273.04083	0.4
273.07407	0.4
274.04791	0.5
275.02435	0.6
275.05511	10.7
276.05862	0.5
283.05869	0.4
283.09927	0.4
285.01160	0.3
285.03934	7.2
285.11041	0.5
286.04434	0.7
288.02698	1.4
289.07144	0.4
300.06293	14.0
301.03394	0.8
301.06848	0.9
302.04172	1.8
303.01700	0.4
303.05017	8.0
311.05582	0.6
313.03427	4.9
314.03958	1.0
315.05054	1.4
315.12326	0.6
316.02158	4.4
317.02972	0.6
317.06522	1.8
327.04993	1.4
328.02097	0.9
328.05792	4.1
329.06467	3.2
330.03687	1.0
331.04489	44.3
332.04971	4.2
343.04666	0.5
345.06067	5.4
346.03357	1.2
346.06842	23.9
347.07123	1.7
361.09204	100.0
362.09561	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	361.1131
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03942	7.4
64.85310	4.6
65.03967	4.3
72.08161	8.4
85.02892	5.4
86.09688	9.7
95.04970	21.1
105.07018	7.9
123.04444	15.1
125.02382	10.0
132.10074	6.8
140.04695	100.0
140.05721	8.6
155.07043	42.2
173.08174	5.1
174.59283	5.1
181.05138	5.9
199.06038	53.8
235.86163	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	361.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30750	0.5
51.51339	0.6
62.25911	0.6
69.40869	0.6
70.06592	1.6
70.99639	0.8
88.07624	1.0
95.08564	0.6
107.15224	0.7
123.53541	0.7
132.10191	0.8
136.81387	0.7
146.11743	0.9
190.94557	0.6
212.11917	0.7
244.04033	0.6
256.26419	1.1
300.29013	2.8
313.21252	0.9
343.22507	3.7
355.82712	0.6
361.23514	100.0
362.23843	8.1
362.32681	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	362.085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	25.9
57.03453	11.3
61.02939	15.9
69.03414	16.7
71.28779	10.2
85.02911	100.0
86.09743	9.9
91.05492	32.8
95.04950	11.1
97.02914	32.6
98.97596	86.4
116.98638	30.0
119.04942	20.0
123.04429	30.2
127.03922	20.5
128.98643	17.4
137.06000	84.5
145.04980	42.2
164.94040	10.6
165.05475	36.4
166.76891	10.5
182.48558	9.5
200.03209	26.5
201.01518	10.8
237.02861	22.8
244.81892	11.6
260.04364	13.3
278.05130	12.2
362.08487	83.7
363.10416	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.6
59.03716	2.2
61.60835	2.0
66.92032	2.5
69.03391	2.5
70.98795	2.4
71.05015	2.8
71.30521	2.8
81.06118	2.5
85.02926	9.4
88.11333	3.3
95.04989	14.6
97.02927	3.9
98.97590	7.6
116.98646	3.7
118.78839	2.3
119.04929	3.1
121.06506	3.7
123.04430	100.0
123.05318	5.2
137.06001	8.2
153.01878	5.7
165.05476	56.8
166.05923	3.2
182.08218	3.9
268.18109	2.7
357.15210	2.9
362.08508	4.6
363.10791	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93536	5.5
69.73294	19.7
74.13253	5.0
88.74462	5.8
90.94827	6.9
91.05506	6.8
121.06512	100.0
136.36185	5.8
138.09142	16.7
153.01825	21.4
214.69975	4.8
230.93935	5.3
277.68085	4.8
362.08585	25.9
362.98694	12.7
363.06851	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	362.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
55.05508	6.1
57.07076	47.4
67.05510	6.5
69.07066	14.3
71.08648	8.1
71.22068	4.5
72.08161	16.3
74.09721	100.0
75.56580	3.1
79.05505	6.1
81.07069	14.7
88.07634	10.9
91.05480	9.2
93.07041	16.1
95.04972	10.1
95.08614	16.3
97.06521	7.1
99.08116	4.5
100.07688	3.8
105.07008	7.7
107.08587	10.7
109.06516	24.6
109.10142	8.0
119.08598	7.7
119.24030	4.4
129.07091	3.3
131.08569	11.1
133.10126	6.1
142.12279	9.8
149.13264	7.6
156.13939	5.6
165.12747	86.4
173.13269	7.2
184.13376	9.5
191.14345	6.0
201.12746	6.9
210.18565	14.9
240.19611	4.2
248.20135	7.4
255.87152	3.9
264.23157	26.2
270.27933	5.5
289.21677	9.3
330.77560	4.9
361.79138	9.1
362.30554	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1053
Annotation	Flustramine F
Peak:m/z	Relative Intensity
52.85292	3.3
70.80189	6.5
71.05001	10.5
72.03693	3.2
74.06081	3.7
74.53755	3.4
85.02926	8.5
98.97578	29.6
107.62386	3.6
114.90713	3.4
116.98660	12.3
118.66223	3.1
137.06046	3.6
137.73257	4.2
153.01869	11.2
158.99748	4.3
177.00722	7.3
196.65294	4.0
210.25137	3.6
239.68216	3.8
243.05426	7.2
279.03735	4.1
289.11786	3.9
363.10547	100.0
364.10962	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	363.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	24.6
69.03426	5.0
71.28338	3.8
71.95281	3.7
85.02902	10.8
94.02991	3.5
95.08647	3.8
98.97588	100.0
98.98203	7.1
110.97565	8.5
112.39857	3.7
116.98622	37.1
123.04413	5.0
124.04728	7.1
128.98602	8.3
134.99648	9.1
136.13242	4.1
158.44186	3.6
158.99657	10.8
165.09155	13.4
166.05876	7.7
166.09462	16.8
167.07065	4.7
177.00754	14.2
191.05954	6.7
201.04428	3.6
215.06004	5.3
219.01768	14.3
225.04308	5.7
237.02817	16.9
243.05449	15.6
260.14050	4.4
261.06430	16.3
303.01486	6.3
317.08969	4.2
335.10129	15.7
363.10434	67.7
363.16177	13.7
381.10504	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	363.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46857	2.4
56.96569	18.7
70.06603	6.8
71.28410	3.6
84.96075	5.0
86.09714	9.1
98.97585	100.0
98.98192	5.5
110.97602	9.9
116.98622	40.7
120.08130	13.5
128.98618	9.3
134.99673	13.0
137.05977	5.2
142.05046	4.7
147.04430	3.7
158.99631	15.7
167.07040	9.9
173.04903	6.7
177.00696	16.7
191.05911	10.3
201.04364	3.1
215.05917	6.8
219.01677	16.7
233.06985	3.8
237.02840	33.0
239.10541	3.7
243.05455	7.1
250.36871	2.9
255.12346	2.9
257.07013	4.6
261.06396	14.6
279.07611	5.7
295.05051	4.1
303.01340	6.2
317.09290	13.8
335.10092	26.0
363.10443	94.4
363.15314	5.9
364.14236	6.4
381.10767	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01871	1.0
65.03937	3.4
67.05501	1.1
68.99781	0.4
69.03411	0.7
70.91064	0.7
79.05504	2.1
81.03439	0.5
82.04177	0.6
85.02897	1.5
91.05483	10.0
93.03413	0.7
93.07045	12.0
95.04979	3.0
97.06500	0.9
103.05464	9.1
104.05754	0.4
105.04512	0.5
105.07012	1.0
106.04146	0.6
107.04945	1.4
108.02097	0.4
109.06487	0.3
110.03647	1.5
111.04429	0.6
119.04929	1.1
120.05712	1.0
121.06509	34.5
122.06863	0.9
123.04425	1.1
125.05982	1.2
127.03876	0.3
131.04993	0.9
133.02802	0.3
135.04318	0.6
137.05975	0.8
138.03114	0.9
138.06720	1.0
142.02629	1.2
145.02748	0.4
147.04387	1.3
148.05165	1.2
149.05984	12.5
150.06538	0.4
151.03937	1.1
153.01776	0.5
153.05473	0.3
159.05562	1.9
165.09106	3.9
166.06258	5.4
167.07005	1.4
171.06502	1.7
177.05475	32.4
178.05833	1.0
181.05016	27.3
181.08592	100.0
182.05316	0.9
182.08943	3.6
209.08090	11.1
315.08487	1.9
330.10995	0.9
363.14224	2.6
363.17947	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	363.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92740	13.4
51.67418	15.7
55.01857	12.7
55.05528	16.7
57.07083	30.9
65.99696	12.1
67.05527	25.9
69.07070	22.5
71.30346	12.7
71.30753	21.1
74.09726	100.0
75.10051	19.0
79.05524	13.0
81.07052	20.7
84.70954	12.7
87.17878	12.0
91.05518	14.0
107.08585	19.1
109.06517	20.3
133.10060	12.6
147.11690	16.0
165.12794	53.4
166.13135	41.8
363.19067	69.9
363.30933	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18764	2.8
52.61058	2.3
55.01879	2.7
59.23952	1.8
67.05513	3.1
69.03423	3.1
70.06596	3.1
70.62908	4.6
72.04524	2.7
72.08156	2.9
79.05466	3.5
81.03474	2.0
85.02890	2.2
85.06526	2.4
89.03893	2.3
90.05554	7.1
91.05489	5.6
93.07052	3.6
95.04964	2.5
95.08667	2.1
97.02888	2.6
100.07626	4.6
103.05459	6.1
107.04961	7.8
109.02921	2.1
116.03461	2.2
117.03403	3.4
121.06465	10.6
123.02653	5.1
123.04445	4.5
124.05222	2.7
127.03870	2.9
131.04947	6.0
133.06540	2.8
135.04420	2.9
137.05986	9.0
140.04707	2.5
145.02863	14.9
147.04424	2.8
148.05206	3.1
149.05992	17.9
151.02126	12.9
153.01793	2.2
155.07007	4.7
159.04416	3.2
161.01703	2.2
163.03899	3.5
165.05426	2.1
167.07039	100.0
168.07416	2.2
175.00589	2.7
177.05466	48.9
179.01579	14.3
184.09712	3.3
188.17699	2.4
191.01547	2.0
191.06995	3.9
193.08641	3.1
194.05743	3.0
201.16656	2.1
202.10741	8.0
209.08104	26.0
209.98709	3.8
211.04193	9.7
220.11981	4.0
227.06897	3.0
227.09145	56.9
228.09480	2.3
234.09518	2.6
251.01170	3.1
311.05801	6.0
346.26062	2.7
364.22244	8.5
364.26511	2.4
365.08731	4.0
365.21970	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	364.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02368	0.4
53.00323	0.1
53.03951	2.2
55.01866	0.4
55.05508	0.1
59.57037	0.1
65.03941	0.1
70.17267	0.1
77.03922	0.6
79.05492	0.3
81.03439	0.4
81.07053	0.1
81.15040	0.1
83.08654	0.1
91.05488	12.2
92.05820	0.3
93.07050	15.8
93.99348	0.1
94.07381	0.5
95.04974	4.1
95.08616	0.2
102.04749	0.1
103.05476	13.9
104.05835	0.5
105.04519	1.7
119.08614	0.1
121.06514	100.0
121.25729	0.1
122.06840	3.7
133.10201	0.1
145.10179	0.1
161.06050	0.1
166.02890	0.4
201.04114	0.4
201.05681	0.7
211.02664	0.1
216.06523	0.1
225.05392	0.3
226.04922	3.6
227.05229	0.2
228.04147	0.1
229.03680	1.4
243.06610	0.4
244.06065	14.0
245.06435	0.8
255.05252	0.1
256.06009	0.3
270.07654	0.9
274.68576	0.1
346.10889	0.1
364.11813	9.6
365.07031	0.1
365.12173	1.1
365.23126	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01871	16.1
57.07077	9.0
59.05004	2.7
67.05500	8.3
69.03437	16.2
69.07066	7.9
69.24752	8.5
69.25157	3.8
70.02952	8.1
71.04980	4.0
72.04520	30.5
73.02907	13.2
81.03416	20.6
83.04977	5.0
85.02895	14.8
85.06532	10.6
86.09689	6.0
87.08100	3.5
90.05555	50.7
95.04974	7.8
96.08131	4.2
97.02902	13.6
98.02421	24.2
99.04437	8.9
100.03976	7.9
103.07571	3.7
105.07019	8.4
109.02876	31.2
112.07596	3.7
113.06019	7.9
115.03937	1.7
116.03448	22.3
122.09694	3.6
124.07599	30.5
127.03919	15.0
131.07047	2.7
132.06567	10.1
142.08655	17.7
145.04942	7.9
156.10207	3.1
160.09695	8.6
162.07559	1.8
166.08687	5.0
167.10655	5.8
172.09650	2.9
174.05473	3.9
174.11259	7.2
181.04980	3.8
184.09682	35.1
186.25000	2.0
187.06033	2.2
198.07529	3.2
199.06039	9.2
201.84653	1.7
202.05092	7.5
202.10735	100.0
203.11148	5.4
210.26646	2.2
211.09641	7.6
216.08705	5.8
217.07097	6.3
220.11795	37.1
221.00803	5.1
221.12152	2.1
226.10599	2.0
230.10292	8.3
234.09750	18.1
241.00182	2.0
244.11812	3.5
262.12830	12.2
268.38126	1.7
307.34436	1.9
310.12839	7.1
328.13879	31.2
346.10684	2.0
346.14838	9.4
364.13635	11.8
364.16290	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69000	2.0
52.05969	2.0
53.03942	2.5
60.04518	2.3
79.05487	4.7
83.06114	6.0
85.02923	3.6
86.09695	4.9
91.05467	7.5
93.04507	5.6
93.07046	100.0
94.07378	3.4
95.04950	2.7
95.06084	3.9
95.08574	2.6
98.22492	5.2
105.07028	5.3
107.08603	9.7
109.10168	5.8
110.07173	86.4
111.07432	2.1
113.30323	2.2
119.08595	2.3
121.10146	37.7
136.07547	4.7
137.09642	7.0
145.04974	2.3
145.10124	2.1
149.09618	33.1
155.10669	3.4
156.07681	32.7
156.08926	3.8
164.07452	3.5
165.09119	3.1
167.10693	29.3
173.12804	3.7
289.68408	2.2
300.16943	3.0
318.18201	10.4
326.74265	2.6
364.18729	17.8
365.19067	3.5
377.85663	2.4
384.60989	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	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93661	11.8
52.07244	12.2
52.72890	10.6
55.05499	11.7
57.81418	11.7
67.05499	23.2
69.85594	41.0
69.86001	24.7
72.08163	66.4
79.66396	12.2
81.07050	16.1
93.07065	27.5
93.22049	12.5
93.99715	13.1
95.08642	12.9
98.23348	19.1
102.20956	13.0
109.10146	61.9
111.08094	16.9
117.42868	14.4
120.08112	15.3
121.10133	38.6
134.41501	11.5
137.09633	48.2
142.21030	13.3
155.10696	100.0
164.05373	11.1
167.10689	26.2
171.14906	37.8
220.86238	12.6
248.84261	12.2
256.52734	14.5
336.34995	13.8
349.13235	13.7
364.18604	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34813	9.1
51.20627	8.8
69.68438	40.7
72.08156	18.5
72.08551	7.9
79.05489	16.4
80.20876	8.3
81.07073	17.2
85.02886	18.1
91.05471	17.2
93.07039	66.1
95.08592	10.4
107.08597	28.0
109.10164	35.5
110.07109	23.1
120.08123	29.7
121.10146	100.0
134.76144	9.5
137.09599	27.9
147.74054	9.0
149.09593	23.9
153.42896	8.7
155.10667	24.9
167.10590	43.6
171.94302	9.6
216.16681	10.0
226.61681	9.6
261.74066	9.7
355.44574	8.7
365.15701	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52574	16.1
52.87495	15.6
70.85616	29.0
75.04500	18.1
85.02946	17.3
93.07043	100.0
97.06617	15.3
100.26421	14.9
109.39983	15.4
111.08077	17.4
121.10106	78.3
145.35190	16.7
167.10703	34.0
172.48926	17.1
199.35532	16.2
213.96382	16.2
305.11285	20.8
363.28156	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2695
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
53.03943	1.6
55.01866	1.0
55.05501	2.5
56.05019	1.9
60.04531	100.0
67.05512	10.3
68.05058	1.7
69.03433	1.8
69.07064	2.5
70.06596	19.3
71.28783	0.8
72.04514	5.2
72.08146	1.0
74.06064	2.2
74.64866	0.8
79.05492	9.5
80.05006	1.0
80.71603	0.8
80.72102	0.9
81.03423	1.8
81.07066	14.6
82.06578	1.2
83.04962	1.8
83.08620	1.6
84.04504	1.1
85.06538	2.6
86.09692	1.7
90.05563	1.7
91.05486	11.4
93.07041	9.0
94.06591	1.6
95.04972	2.0
95.08607	7.7
97.06547	1.9
98.06059	1.2
99.08106	3.3
100.07603	1.1
103.05424	1.2
105.07040	6.7
107.08590	2.9
108.08118	1.3
109.10153	2.3
110.06042	1.0
111.08076	1.2
112.07607	0.9
117.03409	1.8
117.07013	3.1
119.08614	3.9
120.08096	6.5
121.06543	1.0
121.10146	3.6
123.08084	1.6
124.68858	0.8
129.06981	1.4
131.08566	4.1
133.10109	2.9
135.08109	0.9
135.11685	2.0
143.08609	1.5
145.02856	5.2
145.10136	2.4
147.04453	1.6
147.11707	1.6
149.06070	1.0
149.13257	1.1
159.11766	0.9
159.77011	0.8
161.13368	1.0
167.10748	1.2
169.10085	1.3
173.13359	0.8
174.92078	0.8
175.14958	1.0
177.05450	7.6
178.05734	1.0
180.10239	1.2
183.11653	1.1
189.16422	0.8
203.03181	4.3
217.11746	5.1
217.13618	1.0
234.11270	2.6
245.12828	1.7
274.21671	2.0
292.22943	1.9
300.46722	0.9
310.23798	6.0
328.24814	18.0
329.36966	0.8
346.25888	67.4
347.26236	4.3
364.18268	1.1
364.22238	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62466	0.7
70.79523	0.9
73.01309	0.4
83.54136	0.5
90.49614	0.4
94.93027	1.1
96.92812	1.4
97.00108	0.4
114.90519	0.4
148.94461	0.5
150.86494	0.5
184.87025	0.7
185.04219	24.7
186.04613	0.7
203.05272	55.4
204.05661	1.4
235.05664	0.8
237.05505	0.7
244.08099	0.5
245.04939	0.9
322.97205	6.8
365.10562	100.0
366.10913	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62472	0.7
67.16185	0.5
68.82540	0.5
70.03132	0.5
70.03458	1.4
77.48003	0.5
80.62535	0.6
80.69395	0.4
92.73318	0.5
92.73932	0.4
94.93028	0.9
96.92883	0.5
98.23270	0.7
109.02785	0.5
154.43439	0.6
185.04218	26.2
186.04478	0.5
203.05272	53.5
204.05652	1.4
263.92657	1.3
322.97177	1.1
365.10605	100.0
366.10956	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	365.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.05494	1.5
57.03440	8.9
59.26535	1.0
66.08522	0.8
67.05492	0.8
69.03412	2.7
69.07071	47.9
69.51734	4.3
70.07384	1.5
71.01347	3.6
71.04971	1.0
72.08128	1.1
73.02911	4.3
73.06556	7.1
75.04484	7.4
81.07035	1.3
83.01320	0.8
85.02911	13.5
91.05511	0.9
93.05524	1.5
95.01314	9.5
97.02892	2.6
97.06531	29.8
99.00822	1.9
99.04508	1.1
101.02338	1.2
103.03945	2.6
110.00319	0.8
113.02385	8.0
115.07571	100.0
116.07888	3.0
117.05456	1.7
120.08127	2.2
131.03389	2.8
141.01828	22.0
141.02876	1.5
142.02159	1.0
142.61441	0.8
143.03398	1.0
145.04987	0.9
159.02945	3.8
169.12376	1.0
171.10139	1.5
187.06004	1.7
189.11220	5.6
203.03117	8.4
207.17342	1.0
215.05548	7.8
233.06558	4.0
291.96463	0.8
365.08578	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	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.9
53.19710	2.8
55.01870	13.9
55.05505	17.6
57.03439	3.4
57.07062	3.0
61.02930	6.3
62.99194	3.3
65.03930	5.1
67.05508	18.8
68.99795	15.7
69.03429	100.0
69.07075	15.9
70.19769	2.9
71.04991	28.4
71.30082	3.8
73.02924	3.6
74.72750	2.9
78.79658	2.8
79.05489	30.5
81.03416	25.2
81.07056	20.8
83.01336	5.6
83.04990	8.0
83.06332	2.7
83.08612	5.9
85.02911	22.6
87.00837	24.4
87.04473	6.1
87.56897	2.7
91.05478	42.5
93.07038	39.2
95.01286	3.9
95.04971	16.4
95.08611	15.6
97.02888	34.8
97.06503	4.9
99.04438	5.2
99.08113	3.4
103.05478	6.4
105.07039	52.4
107.04955	41.2
107.08604	32.4
109.06525	13.8
109.10146	27.7
111.04462	4.7
115.03918	15.7
115.05453	6.5
117.01836	4.3
117.07018	25.8
119.04955	13.6
119.08569	45.4
120.08097	6.0
121.02862	3.3
121.06491	24.3
121.10116	24.7
123.04443	16.0
123.08067	12.4
123.11735	6.2
125.05992	5.1
128.06227	13.5
129.01839	6.0
129.07018	16.4
130.07819	9.5
131.04938	6.3
131.08568	27.7
133.06483	17.2
133.10115	23.3
134.45499	2.8
135.04434	21.0
135.08040	24.6
135.11716	9.3
137.05991	6.2
137.09641	7.3
139.44055	3.8
141.07050	3.9
143.08568	14.4
144.09351	9.1
145.06491	17.3
145.10114	45.3
147.04414	3.9
147.08035	23.5
147.11694	16.1
149.05936	6.5
149.09598	14.7
151.07607	4.5
151.11189	6.8
153.09132	7.4
155.08563	10.2
156.09393	7.0
157.06483	3.5
157.10150	11.7
159.02855	5.7
159.08122	17.4
159.11717	26.0
161.09608	15.0
161.13289	8.3
163.07570	21.1
163.11186	14.4
165.12804	9.2
169.10124	7.7
171.08044	16.5
171.11703	9.1
172.08784	5.2
173.09651	35.9
173.13300	4.3
174.10197	3.6
175.07625	13.0
175.11205	19.1
177.09161	6.8
177.12741	29.0
179.10612	5.1
182.10873	3.6
183.07979	5.3
183.11742	6.7
185.13223	3.9
187.07516	5.3
187.11171	18.1
189.09138	14.8
189.12753	21.1
190.13512	5.1
191.07043	6.8
191.10660	10.7
191.14368	5.6
193.12268	9.7
197.13263	9.6
199.11203	5.7
201.04050	5.2
201.09213	6.7
201.12729	11.9
205.12247	34.0
207.10069	5.1
215.14279	21.9
217.12323	7.3
219.13777	7.4
225.12770	13.5
233.15297	16.6
235.13348	3.5
243.13785	60.9
244.14250	9.1
261.14877	87.5
262.15097	6.2
279.15903	13.1
303.16022	6.3
321.17056	16.0
329.14188	3.7
341.96487	3.0
347.14883	28.9
365.15967	66.4
365.20227	7.3
366.16519	4.4
381.80746	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	365.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.01874	12.7
55.05510	10.9
67.05503	12.0
68.99802	10.5
69.03433	57.2
69.07066	13.5
70.56114	4.5
70.56445	6.2
71.04990	21.5
73.02903	4.2
79.05499	24.5
81.03419	25.4
81.07082	22.3
83.01337	7.5
83.04987	5.8
84.86378	3.3
85.02918	11.8
86.09699	9.0
87.00816	24.9
87.04464	4.7
91.05495	44.2
93.07047	37.0
95.04984	14.5
95.08600	14.9
97.02905	38.7
97.06561	5.9
103.05479	8.0
105.07034	52.8
107.04944	40.2
107.08594	29.5
109.02885	4.9
109.06511	12.8
109.10159	27.1
111.04465	5.7
115.03938	12.8
115.05437	8.0
117.01839	4.3
117.07044	24.0
119.04964	12.2
119.08584	37.4
120.08136	7.7
121.06506	32.2
121.10131	21.4
123.04413	16.6
123.08083	13.0
123.11687	7.4
125.05990	6.5
128.06239	11.2
129.07007	13.9
131.04897	5.4
131.08565	30.2
133.06508	13.8
133.10103	26.7
135.04385	19.7
135.08051	18.8
135.11687	9.2
137.05966	7.2
137.09607	8.6
139.07512	3.9
141.07002	4.7
143.08580	14.7
145.06490	14.9
145.10153	31.5
147.08078	25.3
147.11726	13.3
149.05995	9.1
149.09677	7.2
151.07603	3.5
151.11186	9.4
153.09128	10.9
155.08563	8.7
157.06622	4.3
157.10165	10.2
159.02917	4.4
159.08099	19.3
159.11688	21.1
161.09631	14.2
161.13281	8.9
163.07541	26.7
163.11206	11.8
169.10120	4.9
171.07996	18.2
171.11729	10.1
172.08820	3.9
173.09645	31.7
173.13261	7.3
175.07484	12.4
175.11183	21.6
177.09215	8.5
177.12787	26.9
181.10359	5.6
182.10884	5.3
187.07578	6.4
187.11209	21.8
189.09123	15.6
189.12706	18.0
191.07054	9.3
191.10663	17.2
197.13324	9.9
199.11111	5.2
201.09204	4.1
201.12750	11.4
205.12256	28.3
215.14395	15.9
217.12239	4.4
218.13176	4.8
219.13841	7.1
225.12775	9.2
233.15378	23.6
243.13795	59.6
244.14285	7.0
261.14856	100.0
273.37390	3.7
279.15921	12.4
303.15894	7.1
321.17062	8.0
347.14807	30.7
365.12000	7.9
365.15979	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01887	0.5
67.05501	1.5
69.21347	1.5
69.21767	2.5
75.64318	0.6
79.05500	1.3
80.96277	0.6
81.07069	1.0
82.02946	0.6
91.05493	1.1
92.05002	0.7
92.21230	0.6
94.06586	1.2
95.04988	0.8
96.08170	0.6
105.07032	1.1
106.06586	0.9
120.04488	0.8
120.08102	0.6
121.06538	1.2
122.06042	4.0
123.06856	0.9
124.07558	0.6
130.47954	0.6
136.07564	0.9
137.04720	3.1
138.09122	0.8
150.05525	1.2
151.06282	6.7
152.07071	86.0
153.07436	1.9
166.08643	54.4
167.07245	0.6
167.08966	1.4
170.08282	0.7
182.08124	1.8
182.09657	0.6
183.09206	0.6
184.07672	0.8
187.08626	0.9
194.08133	100.0
195.08423	3.5
197.08589	0.7
198.07707	0.9
198.09273	0.9
199.12242	1.9
205.91257	0.5
209.10970	0.7
210.09145	2.1
211.08641	1.4
212.09181	92.7
213.09624	3.3
226.07260	0.9
227.11806	7.9
238.08620	0.7
240.08876	2.5
241.07544	0.7
241.09746	7.3
255.11279	24.9
256.11560	1.0
257.12781	0.9
283.10794	3.8
301.11795	9.5
365.10617	0.8
365.15607	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	365.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85217	0.5
55.05505	0.6
65.10436	0.5
67.05521	0.6
69.03433	2.3
70.23759	1.6
71.04987	0.7
81.07066	0.7
84.08138	0.5
91.05470	1.5
93.07060	0.7
95.04935	0.5
95.09199	0.5
97.02941	0.6
100.11265	1.0
105.06995	1.1
107.04945	0.7
107.08601	1.0
109.10178	0.5
117.07047	0.6
119.08612	0.6
120.08115	0.9
121.08481	0.6
123.04520	0.6
123.05320	1.9
124.03658	0.6
131.08566	0.5
145.02866	1.9
145.10185	1.1
147.04443	3.2
151.04800	9.5
152.03200	6.9
169.05904	6.3
173.09593	0.8
177.05504	2.9
182.15529	0.6
189.12733	0.8
215.03342	0.7
218.15173	4.1
235.28162	0.5
237.14525	1.0
243.13893	0.7
261.14813	0.9
266.12543	0.5
287.01855	0.5
316.08633	0.5
320.18234	1.2
335.19385	0.6
348.17853	8.4
365.10556	2.2
365.20468	100.0
366.20770	7.3
366.27808	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	365.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
57.07074	7.0
59.80119	2.6
63.57403	2.4
69.07060	3.7
70.58959	6.6
81.07055	4.4
91.05473	4.9
93.07063	4.5
95.08614	3.5
107.08647	4.1
109.06553	3.0
118.41791	2.9
119.17982	2.6
123.08056	4.4
135.07991	3.0
151.07613	4.4
152.08353	3.8
165.09085	13.9
168.21576	2.7
179.10677	3.9
208.58627	2.6
221.15512	4.1
239.29147	2.7
249.18503	3.2
263.19928	3.2
319.26373	4.7
347.25836	44.0
348.26160	5.3
365.10492	3.9
365.20822	4.3
365.21878	4.2
365.26877	100.0
366.27209	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	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92974	1.1
56.61753	1.1
59.04999	3.4
67.05502	1.7
69.61571	5.4
69.87205	1.1
81.07069	1.3
91.05515	1.7
95.08632	1.3
105.07117	1.2
106.91365	1.0
109.10170	1.0
122.07137	1.7
185.78319	1.0
318.23752	1.2
365.10651	2.3
365.22986	100.0
366.23358	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	365.232
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03952	2.1
55.01862	3.5
55.05503	5.3
57.03428	4.2
57.07061	2.2
61.02928	1.9
67.05224	1.1
67.05513	10.3
69.03428	6.5
69.07076	5.6
69.16336	6.4
71.04993	3.5
73.02943	1.3
79.05497	9.5
81.03426	3.2
81.07054	16.6
83.04992	5.1
83.08616	2.7
85.02914	6.8
91.05491	7.6
93.07040	11.3
95.04972	4.3
95.08624	10.0
97.02901	3.5
97.06509	1.8
97.10191	1.9
99.04455	1.4
103.03928	1.9
105.07029	8.5
107.04960	1.9
107.08607	10.7
109.06507	4.8
109.10173	5.1
111.04455	7.3
111.08083	2.0
115.03909	1.3
115.05513	1.0
117.07014	4.7
119.05010	1.2
119.08591	14.2
121.06521	2.7
121.10151	8.8
122.07185	2.8
123.08096	3.2
123.11726	3.4
125.09650	1.7
127.03947	2.0
129.06992	3.4
130.07811	1.4
131.08592	6.4
133.06525	1.4
133.10133	8.7
135.08063	2.2
135.11722	4.4
137.09607	2.4
142.07796	1.7
143.08586	5.0
145.10127	10.3
147.08067	3.8
147.11656	6.5
149.09691	2.4
149.13301	1.7
151.11153	1.1
153.12740	2.7
155.00914	0.9
156.09312	2.3
157.10168	6.5
158.10840	1.1
159.08037	1.5
159.11691	9.6
161.09596	1.2
161.13245	3.4
163.11186	2.9
171.08011	1.2
171.11746	5.0
173.13258	3.1
175.11223	1.8
175.14885	1.5
181.12206	2.1
182.62567	1.0
183.11719	3.0
185.13226	1.8
187.14781	5.3
189.12794	1.8
189.16380	8.7
191.10681	1.7
191.17975	1.2
195.11795	1.1
197.13327	2.2
199.14822	2.4
201.16415	3.7
203.17915	1.9
209.11536	1.2
213.16328	2.1
215.17950	2.7
227.17961	2.2
240.10608	1.2
241.15883	1.3
243.17581	1.6
245.18973	3.3
249.14673	1.2
257.19104	1.1
261.14877	1.5
273.18515	4.0
291.19565	6.0
311.20148	2.1
329.21106	2.1
347.22025	5.5
353.74915	1.0
365.23026	100.0
366.23404	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08135	1.6
53.03952	2.6
55.01872	5.9
55.05516	32.4
57.03439	9.7
67.05189	2.1
67.05514	30.9
69.03434	15.7
69.07073	56.3
69.41259	5.3
69.41666	3.8
70.07394	3.1
71.04960	3.1
79.05500	24.9
81.03401	5.0
81.07053	23.5
83.04992	3.7
83.08636	10.2
91.05486	13.8
92.95434	1.7
93.07047	19.0
95.04990	8.2
95.08611	12.5
96.57729	1.5
97.02892	18.4
97.06534	3.3
97.10170	17.1
105.07049	9.0
107.04953	7.6
107.08613	12.2
109.06503	2.5
109.10149	9.6
110.95377	1.5
111.08092	2.0
117.06996	4.9
119.08577	11.8
121.06515	2.8
121.10142	5.7
123.08067	4.7
125.09639	12.6
129.07036	2.3
131.08580	7.6
133.10118	6.2
135.08066	3.9
135.11697	2.4
137.09583	3.6
143.08563	4.0
145.10123	5.0
147.08060	4.1
147.11641	2.0
157.10132	5.2
159.11697	3.8
161.09569	2.9
163.11227	3.7
165.09097	2.6
171.11667	2.7
175.11151	2.0
185.13278	5.0
189.11224	4.5
195.13910	1.8
205.12210	2.8
212.17099	1.5
223.13327	31.7
224.13637	2.3
245.19135	2.3
273.18512	8.8
291.19534	100.0
292.19980	5.3
365.23264	20.5
380.89072	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01883	9.6
55.05515	30.2
55.42142	1.4
57.03445	13.4
59.05021	1.5
62.02015	1.5
62.49951	1.5
65.03942	2.5
67.05511	38.5
69.03436	16.6
69.07072	48.1
71.05012	2.2
72.27928	1.8
79.05064	2.5
79.05498	31.7
81.03409	6.3
81.07061	36.3
83.04984	6.9
83.08625	12.5
90.33653	1.4
91.04968	1.9
91.05495	18.6
93.07050	20.8
95.04956	11.3
95.08612	14.7
97.02900	22.5
97.06542	3.1
97.10177	14.5
98.23367	2.8
99.08100	1.5
105.07043	12.1
107.04963	9.3
107.08610	15.1
108.15072	1.2
109.06510	5.4
109.10177	13.2
111.04482	1.8
111.08082	3.6
112.15809	1.3
117.06975	8.1
119.08594	11.9
121.06525	4.5
121.10139	7.8
123.04471	1.8
123.08047	7.8
125.09653	15.5
129.07033	4.3
131.08592	6.6
133.06471	3.1
133.10129	6.2
135.08047	3.4
135.11670	2.8
137.09624	4.1
141.07013	1.8
143.08565	4.8
145.10172	7.5
147.08046	5.8
147.11696	4.5
149.09671	2.0
149.13248	2.4
153.09145	2.4
153.12672	1.4
157.10136	4.2
159.11729	3.6
161.09644	2.5
163.11195	3.2
165.09137	3.9
175.11256	2.9
189.11253	6.9
195.13588	1.6
205.12207	4.7
223.13309	32.7
224.13622	1.8
227.12546	1.5
227.18024	2.1
229.30765	1.6
245.19031	2.4
249.14882	2.2
255.17577	1.6
273.18463	17.3
289.81564	1.6
291.19553	100.0
292.19867	7.5
297.95004	1.4
305.10678	1.6
323.11670	2.1
346.95810	1.4
347.22202	1.5
364.32965	2.0
365.23090	50.2
365.26727	35.2
365.33206	2.2
366.23264	3.7
366.27203	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01869	4.8
55.05511	8.5
57.03426	5.7
57.07073	2.6
58.80438	1.6
61.02929	4.5
65.03949	1.8
67.05509	12.5
68.99792	5.1
69.03429	17.3
69.07061	10.4
71.04990	13.0
71.28986	2.9
73.02919	6.0
79.05486	13.1
81.03416	7.9
81.07050	18.0
83.04986	4.7
83.08604	4.2
85.02898	18.5
85.06553	2.8
86.09721	1.9
87.04461	3.9
89.03913	4.8
91.05474	21.8
93.07049	21.9
95.04967	7.6
95.08609	22.9
97.02908	8.7
97.06535	4.2
97.10194	2.0
99.04454	4.8
99.08114	2.9
103.03945	4.4
103.05447	1.8
105.07036	31.9
107.04977	3.6
107.08590	19.6
109.02908	2.1
109.06528	6.5
109.10150	12.4
111.04436	3.5
115.03914	4.1
115.05390	2.6
117.03390	19.5
117.07048	5.8
119.04950	20.9
119.08576	30.4
121.06517	5.1
121.10149	11.1
123.04425	2.6
123.08071	4.9
123.11715	4.4
125.09632	5.2
127.03920	2.7
127.11143	3.3
128.06209	4.1
129.05455	2.0
129.06989	7.6
131.04955	3.1
131.08575	19.6
133.10135	18.8
135.04419	2.2
135.08076	4.7
135.11699	5.8
137.09630	5.5
139.11183	2.0
141.06976	3.2
142.07817	4.2
143.08572	13.0
143.10577	2.5
144.09367	2.6
145.02849	62.0
145.10118	26.3
146.03197	2.2
147.04413	88.5
147.08044	7.7
147.11691	17.1
148.04753	3.9
149.05983	7.0
149.09637	4.7
149.13258	3.7
150.94171	1.7
151.11212	2.6
155.08524	2.8
156.09331	4.5
157.10114	15.5
158.10905	2.0
159.08025	5.1
159.11699	26.0
161.09641	5.3
161.13254	7.2
167.08574	2.6
169.10156	7.8
171.08069	7.5
171.11697	14.4
173.09660	6.3
173.13275	10.9
175.11200	3.2
175.14809	4.5
177.05469	100.0
178.05824	4.2
181.10146	4.6
183.11688	5.3
185.09625	3.0
185.13298	7.9
187.14822	13.3
189.09114	4.0
189.12714	4.1
189.16368	19.9
191.10661	3.2
193.15891	1.9
195.11667	3.9
195.37431	1.6
197.13321	7.4
199.14847	3.1
201.12744	2.0
201.16389	13.1
203.14314	2.4
203.17999	5.7
205.16031	2.6
207.10158	5.2
209.11650	3.9
213.12741	3.3
213.16367	9.1
215.03397	19.2
215.14406	1.7
215.17979	7.3
219.06563	7.3
219.17433	2.9
223.07558	6.0
225.12878	3.9
225.16423	3.1
227.18013	5.4
229.15910	1.9
229.19398	2.0
231.17468	4.8
233.18951	2.4
237.16603	2.2
243.13844	3.4
243.17410	2.6
245.19080	7.8
255.10167	6.3
257.19077	4.6
261.14920	7.2
269.19101	3.7
279.15994	1.9
280.26691	2.1
287.20203	2.5
299.20050	3.5
311.20032	7.8
323.09161	4.8
329.21149	13.4
341.10291	3.2
347.22162	13.4
365.10214	71.1
365.18881	2.3
365.23175	46.7
366.10580	5.7
366.23416	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	365.2326
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.35604	2.8
53.03943	5.2
55.01872	8.6
55.05515	21.2
57.03434	17.0
57.07069	7.0
59.04996	3.7
61.02914	12.9
67.05513	37.6
69.03430	27.7
69.07077	15.1
69.29539	17.4
71.01342	5.3
71.04997	23.7
72.59317	2.6
73.02914	8.5
79.05483	16.0
81.03418	12.6
81.07072	44.5
81.42139	2.9
82.52405	2.8
83.04964	9.0
83.08653	5.2
85.02911	33.0
85.06550	4.3
85.52905	3.6
87.04491	4.2
91.05482	25.8
93.07058	44.3
95.04974	11.0
95.08610	100.0
97.02895	11.3
97.06519	5.1
97.10165	2.8
98.22565	5.6
99.04482	7.5
99.08107	7.0
103.03955	8.8
105.07043	55.2
107.04963	5.3
107.08589	32.8
109.06521	12.6
109.10157	21.6
110.07145	3.6
111.04443	6.4
115.03960	4.5
117.07033	10.8
119.04968	5.0
119.08580	58.7
121.06475	10.9
121.10138	33.8
123.08064	9.1
123.11749	16.2
125.09651	4.8
127.03911	6.0
127.11217	6.1
129.05501	6.3
129.06975	9.0
131.08588	28.9
133.06477	6.4
133.10124	31.5
135.08018	8.1
135.11690	11.8
137.09615	15.3
142.07794	9.4
143.08557	20.6
143.10614	3.8
144.09264	3.5
145.06441	6.5
145.10146	39.3
147.08051	8.7
147.11691	26.8
149.09618	9.0
149.13307	6.3
151.11166	7.5
153.01820	7.1
155.08585	10.7
156.09325	5.1
157.06583	3.8
157.10161	26.7
159.08105	7.2
159.11691	52.7
161.09659	7.1
161.13275	12.5
163.11200	4.7
165.09125	4.1
165.12700	3.0
167.08566	4.7
169.10100	12.3
171.08188	3.6
171.11676	22.3
173.09589	7.9
173.13347	18.3
173.14563	3.9
175.11232	5.6
175.14824	5.0
176.62871	2.9
179.08524	3.3
180.52542	3.0
181.10167	6.9
182.10902	3.4
183.11697	11.2
185.13261	14.8
187.11220	6.7
187.14832	16.9
189.12756	7.8
189.16386	24.3
191.14395	4.6
193.12067	3.3
195.11745	5.9
197.13280	10.7
199.11142	5.0
199.14825	4.8
201.12689	6.0
201.16380	19.4
203.17996	14.0
207.11757	5.1
207.77159	3.3
211.14978	3.3
213.12770	4.6
213.16393	11.8
215.14534	3.6
215.17929	12.8
217.19398	4.7
221.19118	3.9
223.15022	3.9
223.27019	3.1
225.12752	7.0
225.16336	3.9
227.17952	8.8
229.19643	4.0
231.17447	8.5
233.18915	5.8
237.16537	3.5
239.14455	3.2
241.15909	6.5
243.13878	3.9
243.17451	6.1
245.18964	17.5
253.14334	4.4
257.18933	6.7
261.14890	5.3
263.20255	3.8
269.19058	5.4
275.20163	3.7
279.16022	4.4
287.20007	5.4
299.19824	4.9
302.65323	3.3
311.20026	12.0
317.21362	3.6
329.21060	22.6
347.22150	30.3
365.19388	6.2
365.23309	73.1
366.18948	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70405	2.0
53.03944	4.4
53.65792	2.2
55.01881	15.7
55.05510	22.7
57.03436	13.3
59.15696	2.0
59.34805	2.1
61.79868	2.2
65.03936	3.4
67.05180	3.1
67.05511	38.3
67.33578	2.0
69.03439	5.5
69.07070	12.1
70.16451	7.4
70.54669	2.1
71.04991	4.1
79.05492	49.7
81.03418	6.7
81.07057	100.0
83.04987	30.0
83.08614	11.1
85.02905	13.0
85.06526	2.9
88.36785	2.1
89.43436	2.1
91.05473	21.5
93.07042	35.5
95.04976	16.8
95.08615	15.7
97.06544	6.8
97.10172	9.0
99.04481	6.3
101.06035	9.0
105.07039	27.1
107.04960	8.3
107.08589	20.1
109.06529	38.0
109.10159	10.7
111.04443	36.6
111.08080	13.8
112.04865	2.3
112.88892	2.5
117.07025	13.8
119.08580	34.2
121.06529	13.4
121.10137	17.2
122.07143	2.7
123.08079	13.7
125.09631	6.3
128.06209	2.7
129.07016	7.2
131.08569	12.1
133.10133	5.7
134.76286	2.4
135.08064	4.4
135.11679	8.0
137.09663	6.1
141.26624	2.4
141.59799	2.2
143.08540	4.2
145.10123	18.2
147.08073	14.4
147.11685	4.9
149.02289	2.2
149.09607	4.8
153.12743	10.7
157.10127	4.1
159.08116	2.8
159.11699	4.7
161.09631	10.2
163.11232	17.6
165.09134	10.4
171.11679	3.1
173.09616	6.2
181.12228	11.3
184.07399	3.1
189.11255	5.1
191.10722	6.5
193.05006	3.0
200.20067	2.2
223.13219	3.2
227.12785	6.5
237.16359	3.4
245.19109	2.9
249.14935	6.1
255.17479	5.1
273.18515	29.5
291.19553	54.5
292.19791	4.0
365.23248	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.3
57.07096	11.1
59.05002	22.0
67.05511	26.0
69.07079	21.8
69.54743	55.9
74.86245	8.9
79.05494	29.5
81.07069	31.8
83.04910	10.7
91.05485	42.3
93.07045	71.4
93.12938	10.2
95.05003	33.9
95.08617	19.8
105.07049	46.8
107.08624	28.5
109.06531	17.5
109.10186	24.2
117.06950	11.3
119.08599	75.4
121.10171	40.4
129.07014	14.2
131.08598	31.3
133.10156	30.8
135.08112	15.0
139.23589	11.1
142.07784	25.5
143.08578	30.6
145.10132	48.6
146.30745	10.0
147.08046	14.9
147.11676	17.7
149.09660	17.0
155.08572	21.5
157.10149	38.9
159.08034	11.1
159.11710	30.0
161.09668	17.3
167.08621	20.6
169.10190	27.0
171.11745	17.4
173.09605	11.8
173.13332	25.9
181.10176	14.5
181.44904	9.6
183.11743	22.4
185.13322	16.6
193.10144	23.0
194.10896	12.0
195.11726	24.0
197.13332	19.2
201.12694	13.1
207.11736	33.2
209.13174	17.1
211.14751	18.5
211.52869	9.5
219.11713	11.5
221.13347	13.1
223.14827	16.1
241.15715	10.6
263.17935	12.2
281.19003	12.7
347.23682	29.2
365.10495	25.5
365.24713	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.92143	0.8
53.08065	0.6
55.05514	2.0
57.07078	3.3
58.82686	0.7
59.84888	0.8
65.03937	0.8
67.05495	2.8
69.07059	2.3
69.55761	2.6
71.08642	1.0
73.11362	0.7
79.05484	1.1
81.07051	4.0
83.08626	2.1
85.06540	2.4
91.05486	21.1
92.05798	2.1
92.06314	0.7
92.91427	0.7
93.07041	2.6
95.08614	2.0
98.22617	1.3
105.07033	2.0
107.08575	2.8
109.06522	4.2
109.10165	1.4
111.04443	0.9
119.08588	1.9
119.94970	0.6
121.10127	1.4
123.08070	6.1
124.08833	0.9
125.05999	1.2
125.09538	0.7
133.10092	0.9
135.08075	1.6
137.05902	1.5
143.08568	0.7
145.10110	1.3
146.62521	0.6
147.11711	1.0
151.07539	5.4
152.08344	3.0
159.11816	0.8
161.09555	0.7
164.08374	1.1
164.67679	0.8
165.07742	1.1
165.09116	13.5
165.12767	1.0
166.09920	1.0
175.11264	0.8
179.10643	2.9
185.04219	1.6
193.12286	1.6
203.05205	3.6
208.14558	3.3
221.15442	2.0
235.17017	1.1
249.18552	1.4
263.20056	22.2
264.20343	1.0
305.24866	2.4
319.26187	5.4
327.17297	0.9
347.25803	48.9
348.26218	4.9
353.16443	0.9
356.91269	0.7
365.10641	7.1
365.26862	100.0
366.27350	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	366.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66269	1.7
52.91155	1.9
55.01875	6.9
56.05030	5.7
60.04535	6.7
72.04501	3.1
72.08145	2.6
79.05525	2.7
81.07049	6.8
84.04506	91.0
85.02911	5.1
98.22511	3.2
100.03980	47.3
101.02374	15.2
101.07152	6.8
105.60732	2.2
107.05767	2.1
118.05021	100.0
119.05402	2.0
120.08077	3.3
121.06531	5.2
129.06624	15.3
130.05020	16.7
132.04443	2.1
133.68929	2.1
136.07550	2.2
138.05507	59.7
139.05809	3.2
144.46017	2.0
147.07652	7.4
166.05028	14.8
169.12199	4.8
173.12846	2.9
174.05498	16.4
175.05972	2.4
183.07690	3.9
184.06093	7.2
194.06557	1.9
201.08679	13.6
202.05000	33.5
211.07112	17.2
212.05499	4.7
220.06145	4.3
229.08215	35.6
229.39452	2.4
329.11978	2.0
334.50720	2.1
366.14493	2.1
386.93707	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	366.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.7
54.59661	1.3
55.01874	6.7
55.05513	3.5
57.03437	8.4
61.02930	6.2
68.99805	3.0
69.03431	32.0
71.04985	5.4
73.02917	4.9
73.29247	1.5
81.03420	23.9
82.11176	1.3
85.02910	100.0
87.00835	42.7
87.01360	3.0
91.05473	1.6
93.62457	1.5
95.04982	1.6
95.08596	1.9
97.02898	30.6
99.04473	12.0
105.01870	55.0
108.04476	3.1
109.02880	22.5
111.08088	1.8
117.01847	2.8
121.06534	2.0
127.03926	65.1
128.04225	2.7
129.01857	2.8
136.06250	2.9
139.07628	2.2
145.04956	30.0
146.06918	1.4
146.67819	1.6
147.02945	2.1
147.04398	3.1
151.07594	1.6
156.07706	2.1
159.02888	11.5
189.03947	2.5
198.19327	1.5
209.11743	3.2
213.03975	2.3
231.04990	14.7
249.06171	3.3
257.34326	1.7
295.11707	5.1
313.12628	1.8
335.85724	1.6
364.51797	1.7
367.17291	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
53.23727	1.6
56.05043	2.3
60.04528	2.4
61.01144	2.5
67.05484	3.2
69.03440	1.8
69.07060	2.7
71.04990	12.3
71.24352	2.0
72.08139	4.4
77.74935	1.5
79.05500	17.5
81.03432	1.7
81.07057	100.0
82.07369	1.8
83.04980	7.3
84.04507	7.3
85.02893	4.9
93.07008	3.3
95.04976	2.6
100.03954	4.3
105.07009	1.7
107.08594	2.6
109.10163	3.9
118.04990	6.6
120.08112	3.5
123.11707	8.1
127.03865	1.5
129.06586	1.8
136.07564	6.0
138.05513	7.2
143.11798	1.6
151.11218	9.7
151.12256	2.2
169.12247	93.7
170.12645	3.3
173.12843	1.9
174.05504	4.3
177.05463	3.0
179.77963	1.7
196.09708	2.9
202.04962	12.9
216.98828	1.6
229.08150	2.8
234.04117	1.5
234.86871	1.3
247.66707	1.5
303.09741	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	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.05520	3.3
56.96566	3.1
61.27700	2.6
69.03398	3.7
69.07044	3.0
69.27901	14.1
70.06606	3.9
71.04993	9.9
71.17898	2.4
71.74510	2.5
73.02917	2.4
79.05511	12.6
79.43807	2.5
81.03416	6.8
81.07060	100.0
83.04990	9.1
83.08648	2.8
85.02927	15.3
86.09705	15.9
91.05487	3.2
93.07032	18.7
95.08624	4.0
97.02885	3.3
99.08118	4.8
103.12267	2.6
105.07042	4.5
107.08611	3.2
109.02872	3.9
109.80546	2.5
117.07005	4.5
120.08103	32.5
123.11710	3.5
127.03944	7.0
128.83481	2.2
133.10152	4.6
136.07602	11.7
139.63040	2.5
145.04976	3.1
153.01816	10.3
181.13434	2.5
219.52339	2.7
233.16479	8.2
243.12411	5.0
249.16058	2.7
336.64078	2.5
366.11865	13.7
367.17188	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.8
57.03428	11.3
60.04520	26.0
67.05506	16.6
69.03421	28.1
70.06606	20.6
71.04992	46.6
71.28054	8.3
72.08138	11.4
79.05519	23.6
81.03429	23.0
81.07058	100.0
81.59620	10.7
83.04988	86.3
84.04475	13.1
84.46958	9.4
85.02912	32.6
86.09716	31.4
89.54559	11.9
91.05509	28.0
93.07047	90.6
95.04990	17.7
95.08652	13.9
97.02876	18.9
101.06056	10.8
105.07067	28.6
107.08603	27.9
110.07172	18.8
120.08162	48.6
121.06554	13.8
121.10162	10.5
122.10507	10.9
123.08105	12.6
123.11680	16.3
127.03912	22.8
133.10130	34.1
135.11713	26.0
151.11252	14.5
153.01845	76.5
156.07745	17.8
162.05487	50.7
163.06039	22.2
169.08627	22.3
177.05481	14.0
179.05423	10.5
203.03252	14.4
263.08514	62.4
264.08810	12.0
292.18872	14.4
348.26416	20.0
349.05283	17.8
366.11200	64.2
366.22995	13.1
388.38351	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	367.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00492	1.9
67.44223	1.9
69.18808	12.4
73.41311	2.1
98.23372	4.2
100.39945	2.2
117.44562	2.3
128.52162	2.1
159.12857	2.1
171.31540	2.5
174.89632	2.2
182.82213	2.1
224.95749	2.0
233.11285	2.1
367.10031	100.0
368.10324	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	367.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40181	0.6
51.05094	0.5
52.86017	0.5
55.01866	4.5
56.05038	5.7
66.36036	0.5
67.05497	2.0
71.34126	0.7
72.04505	0.7
81.03429	0.9
81.07071	0.6
82.01805	0.5
82.06576	0.7
84.04509	7.5
85.02913	6.9
87.52461	0.5
88.03481	0.5
91.05483	2.3
96.04499	2.0
100.03975	6.6
101.02396	1.1
102.05537	4.3
110.06048	2.7
119.04944	5.4
120.04496	0.7
121.06529	0.7
130.05019	3.5
131.03386	0.5
132.04468	1.7
138.05508	100.0
139.05873	3.6
146.05995	0.9
147.04417	16.6
148.04831	0.6
157.07620	0.9
166.05005	25.4
174.05530	9.3
174.06981	0.6
175.08760	1.0
184.06064	18.3
190.10995	0.5
202.05009	17.4
202.06897	1.4
203.05359	0.8
203.08162	1.6
212.05544	7.8
220.06056	5.4
221.09180	0.8
230.06609	31.7
231.06935	1.1
367.04431	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	367.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97304	1.7
55.05496	2.7
56.96315	2.3
56.96570	31.9
60.96112	1.8
67.05509	2.7
69.07069	4.0
71.29626	1.7
71.95241	5.6
74.15022	1.7
79.05473	4.4
79.22221	1.4
80.32121	1.6
81.07061	13.3
81.24254	1.5
91.05467	2.6
93.07040	3.4
95.08588	3.2
104.16161	1.6
107.08601	2.4
110.97555	3.8
119.08539	1.8
123.01187	1.8
128.98566	3.1
146.99608	4.2
158.08600	1.9
159.03227	2.6
173.01309	2.0
185.04860	2.7
193.05133	2.2
194.05270	2.1
199.06358	5.7
203.05777	3.2
207.06949	1.9
213.07944	10.7
217.07327	4.1
223.08490	3.2
225.07898	5.0
229.07379	5.5
231.09084	13.9
237.04288	1.8
239.09499	5.2
241.11055	6.3
243.08986	4.6
247.08350	5.7
251.09488	5.8
255.08990	6.2
257.10626	4.3
259.12103	5.5
269.10632	40.2
270.10898	2.9
273.10059	6.0
275.20114	2.5
280.09717	2.7
287.11606	19.5
297.10049	2.7
307.15588	2.4
315.11234	1.8
331.15933	10.2
349.16937	16.0
367.17728	100.0
368.18155	6.1
385.19016	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45705	1.2
53.03944	4.4
55.01869	8.5
55.05273	2.0
55.05516	25.9
57.03438	15.6
57.07078	2.1
58.86798	1.4
59.05005	1.4
65.03945	2.7
67.05508	51.3
69.03433	2.9
69.07072	38.3
70.07433	1.3
70.12827	2.6
71.04998	4.4
75.88911	1.2
79.05495	44.2
80.05804	1.8
81.03443	2.5
81.07058	100.0
81.25572	1.1
82.07373	1.8
82.80500	1.3
83.04990	9.0
83.08620	15.3
85.02927	2.0
85.06562	3.5
91.05483	39.5
91.09541	1.4
92.05820	1.4
93.07051	33.0
94.07403	1.5
95.04970	17.6
95.08611	30.6
97.06530	10.4
97.10181	4.6
97.95896	1.3
99.04453	2.7
99.08106	4.9
103.05430	1.7
105.07040	29.3
107.04971	7.6
107.08592	22.8
109.06509	15.7
109.10160	11.0
111.04473	5.2
111.08073	6.2
117.07011	9.7
119.08578	23.9
121.06528	5.4
121.10149	18.1
123.08070	7.0
123.11690	9.9
125.09673	4.0
129.07002	3.7
131.08566	11.5
133.07697	1.4
133.10129	17.2
135.08049	6.5
135.11696	9.3
137.09636	4.5
141.07008	1.6
143.08603	3.7
145.06416	1.8
145.10095	9.2
147.08109	2.0
147.11685	18.7
149.09619	12.2
149.13271	8.6
151.11205	3.1
155.08556	1.8
157.10202	5.1
159.11697	8.7
161.09702	2.2
161.13275	4.2
163.11163	9.5
165.12852	7.2
167.14523	1.3
171.11722	2.2
173.13300	2.1
175.11244	4.1
177.12801	5.4
183.11668	2.5
187.11160	2.4
187.14909	1.6
189.11223	2.0
189.12802	2.0
191.14313	2.1
193.12238	1.5
197.13329	1.6
201.12852	1.5
205.12280	1.7
207.13857	1.9
223.13289	5.8
229.19571	2.0
247.20564	2.6
257.19052	3.5
275.20084	35.6
276.20456	2.5
293.21191	7.8
349.23892	2.0
367.24957	23.1
368.25107	2.9
370.90933	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
54.22202	1.3
55.01876	23.1
55.05513	60.4
57.03439	22.2
59.05012	2.2
65.03938	4.5
67.05509	61.5
69.03424	6.6
69.07072	35.3
71.04996	15.9
79.05497	66.1
81.03428	7.1
81.07058	51.6
83.04985	46.1
83.08620	39.8
84.05304	1.7
85.02905	13.3
85.06544	7.2
87.48029	1.4
89.99429	1.4
91.05484	34.9
93.07045	64.3
94.07413	1.5
95.04971	79.0
95.08604	32.0
95.09166	2.6
97.06515	12.6
97.10162	17.6
98.22572	3.8
99.04467	19.2
99.08090	2.9
99.18665	1.5
105.04520	2.0
105.07035	34.2
107.04960	14.6
107.08595	67.2
108.08930	3.1
109.01476	1.5
109.06502	9.0
109.10151	16.9
111.04445	56.5
111.08083	17.4
112.04858	1.5
113.05990	1.5
117.07013	12.5
119.08593	24.0
121.06463	7.7
121.10145	33.5
123.08073	8.1
123.11711	5.2
125.06028	4.1
125.09633	22.5
129.05472	2.3
129.06993	4.5
131.08583	19.3
133.10144	13.5
135.08069	7.6
135.11707	15.4
137.09552	2.7
139.11171	5.7
141.06978	1.8
141.09084	1.8
143.08522	3.2
143.10594	1.7
145.10124	28.8
147.08037	6.0
147.11703	13.5
149.09625	43.0
149.13239	2.5
150.09958	1.8
151.11134	2.2
153.09160	2.3
153.12762	12.1
155.08589	2.8
157.10136	4.1
159.11687	11.9
161.09634	3.7
161.13255	3.9
163.11192	35.7
165.12769	3.2
167.10654	2.2
169.10139	2.8
171.11694	2.7
173.09692	3.9
173.11806	1.8
173.13255	4.5
175.11188	3.0
177.12737	4.0
181.12238	9.2
183.11813	2.1
185.13458	1.7
187.11295	3.5
189.11250	17.3
189.12843	2.1
191.10645	3.7
193.12320	4.6
199.14931	1.7
205.12231	9.3
207.13799	3.2
211.13255	4.8
215.17792	2.3
219.13753	1.9
223.13292	100.0
224.13719	2.7
227.12782	2.9
229.19548	4.4
237.14827	2.4
239.17914	5.7
247.20631	5.2
257.19046	12.1
275.20059	88.6
276.20374	5.4
293.21103	40.9
294.21365	2.8
349.23703	1.7
367.24796	43.4
368.25192	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
54.11589	1.1
55.01866	4.9
55.05514	21.4
57.03440	13.3
57.07086	2.2
65.03934	2.5
67.05508	40.0
69.03437	2.0
69.07072	32.2
70.52489	1.6
70.52831	2.2
71.04995	3.9
71.08614	1.5
77.71227	1.1
79.05497	36.8
80.12371	1.1
81.03427	2.6
81.07059	100.0
82.07407	2.3
83.05003	6.9
83.08620	9.0
85.02898	1.7
85.06553	3.5
91.05481	29.9
93.07049	29.2
94.07378	1.8
95.04977	11.8
95.08608	25.8
96.69732	1.1
97.06544	8.9
97.10178	1.6
99.04482	2.5
99.08094	3.5
102.00200	1.2
105.07036	27.1
107.04961	6.6
107.08600	17.0
109.06522	13.6
109.10162	10.6
111.04446	2.2
111.08077	7.1
113.06017	1.4
117.07024	4.9
119.08590	18.5
121.06503	4.1
121.10145	12.9
123.08128	5.6
123.11726	8.3
125.09624	3.0
129.07045	2.4
131.08574	11.0
133.10126	16.1
135.08044	5.8
135.11717	6.4
137.09634	3.6
137.13223	1.2
142.07797	1.5
143.08592	2.4
145.10117	9.4
147.08055	2.1
147.11690	18.4
149.09605	8.7
149.13274	4.6
151.11240	1.2
157.10161	4.2
159.11700	6.1
161.09613	1.5
161.13306	3.2
163.11169	7.1
165.12737	6.0
169.24300	1.0
173.13312	3.7
175.11177	3.8
177.12785	3.2
183.11794	1.1
185.13301	1.3
187.14879	2.3
189.12711	1.3
193.12167	1.6
195.13939	2.1
203.14369	2.1
205.12144	1.5
205.15898	4.2
207.21896	1.2
223.13264	3.7
229.19522	1.9
239.17998	1.4
247.41212	1.4
257.19092	3.2
275.20096	18.9
287.20184	1.5
293.21155	5.8
349.23856	2.8
367.24792	20.8
368.25391	2.7
368.42551	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08537	8.4
53.03921	9.0
54.70841	8.3
55.01871	20.1
55.05520	45.8
57.03430	18.2
67.05511	45.4
69.07069	28.7
71.29734	8.5
71.30166	10.5
76.43344	9.3
79.05501	35.5
81.07078	47.4
83.04976	35.6
83.08617	28.9
84.08143	82.0
91.05476	92.4
93.07027	43.2
95.04956	66.3
95.08615	25.4
97.10194	10.4
99.04461	16.4
105.07050	27.9
107.08606	58.1
107.21615	7.7
109.10180	18.3
111.04461	30.2
118.18330	8.0
119.08556	17.7
121.10155	34.4
125.09622	13.2
129.10248	100.0
131.08607	22.8
139.11266	10.5
143.08508	10.8
145.10149	14.0
149.09639	29.5
153.12759	12.0
163.11220	25.7
173.13347	9.5
223.13365	43.5
275.20111	45.9
278.70343	10.4
293.21078	12.3
312.22406	9.1
367.10367	17.8
367.24838	21.7
368.11450	16.6
368.29791	11.0
368.42712	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01876	5.9
55.05511	19.2
57.03437	14.0
57.07068	1.6
65.03941	2.6
67.05506	45.7
68.05842	0.7
69.03437	1.9
69.07070	37.0
69.97981	0.5
71.05000	3.3
71.08632	1.1
71.28181	0.9
71.72594	0.5
73.06542	0.6
79.05494	37.4
80.05813	1.1
81.03409	3.0
81.07059	100.0
82.07402	2.7
83.04984	7.4
83.08619	12.3
83.51208	0.5
84.43050	0.5
85.06551	4.2
91.05482	27.6
92.05804	0.9
93.07047	29.0
94.07360	0.8
95.04971	10.7
95.08608	27.8
96.05328	0.6
97.06532	10.8
97.10175	1.8
99.08104	3.3
103.05464	0.9
105.04523	1.4
105.07035	26.9
107.04964	7.0
107.08600	18.3
108.08923	0.8
109.06521	14.7
109.10159	11.4
110.10497	0.6
111.04443	0.8
111.08089	5.9
113.06045	0.9
115.05455	1.6
117.07047	7.4
119.08578	19.6
121.06500	3.5
121.10151	12.1
123.08069	6.6
123.11703	8.2
125.09637	2.6
127.07558	1.4
128.06221	0.8
129.07008	3.0
131.08563	9.7
133.06526	1.2
133.10132	13.8
135.08046	3.3
135.11693	6.5
137.09560	2.7
137.13257	1.0
139.11125	0.9
141.09116	0.6
142.07840	0.6
143.08577	1.6
145.10109	8.5
146.10484	0.6
147.08017	1.7
147.11690	21.4
148.12007	0.8
149.09607	8.1
149.13251	8.0
151.11194	2.8
153.09138	0.7
155.08546	0.8
157.10138	4.0
159.08170	0.8
159.11693	8.8
161.09534	0.6
161.13286	2.7
163.11180	6.7
163.14856	1.3
165.12738	7.1
167.14377	1.5
169.10126	1.5
171.11723	2.0
173.11964	0.7
173.13214	3.4
175.11249	3.4
175.14799	0.9
177.12766	3.0
179.10686	0.8
179.14320	1.5
183.11696	1.5
185.13255	0.8
187.11192	1.2
187.14784	1.1
191.14362	1.1
193.12250	1.7
195.13791	2.9
197.13319	1.4
201.12741	0.8
205.12251	0.9
206.99892	0.6
207.13759	0.8
223.13194	1.1
229.19530	1.7
239.17975	2.4
247.20599	2.0
257.19031	3.7
265.21701	0.7
275.20053	25.2
276.20493	1.9
293.21152	4.9
336.08670	0.6
349.23676	4.9
367.24805	27.0
368.25174	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01869	7.0
55.05515	18.4
57.03447	10.8
57.07071	1.9
59.05001	1.7
67.05511	43.0
68.05830	1.9
69.03416	1.7
69.07069	29.8
71.04986	3.8
79.05499	41.6
81.03425	4.4
81.07060	100.0
83.04988	7.0
83.08624	18.0
85.06548	2.9
91.04962	3.1
91.05485	29.8
93.07046	24.8
93.72966	1.5
95.04966	11.2
95.08609	29.0
97.06542	11.0
97.10195	3.0
99.08106	3.2
103.73966	1.6
105.07033	23.7
107.04972	10.1
107.08613	16.2
109.06518	23.8
109.10137	12.5
111.08128	8.1
111.08769	1.7
117.07014	7.6
119.08589	20.7
121.06489	4.4
121.10147	11.6
123.08067	11.0
123.11690	7.1
125.09663	2.1
129.06996	2.0
131.07692	1.9
131.08571	10.2
133.10144	14.0
135.08064	5.3
135.11673	7.2
136.45363	1.8
137.09593	3.0
143.08560	2.1
145.10150	8.5
147.11707	19.5
149.09616	7.8
149.13275	9.7
149.58524	1.6
151.11211	3.7
157.10139	4.3
159.11661	8.4
161.13232	3.7
163.11191	5.4
165.12767	6.9
171.11642	1.8
173.13283	5.3
175.11258	2.5
177.12776	2.7
183.11760	3.0
187.11140	2.7
187.14679	1.9
191.14226	1.8
193.12373	2.3
207.13773	2.5
226.02663	1.6
229.19550	2.3
239.17891	2.3
247.20564	4.6
248.80185	1.8
257.18964	5.9
275.20093	42.5
276.20480	2.1
293.21085	4.2
349.23868	8.7
354.42984	1.7
367.24783	23.6
367.28799	1.5
368.25146	3.3
394.62637	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01874	29.0
55.05514	70.3
57.03200	2.7
57.03445	33.2
57.07069	2.8
59.04978	3.8
65.03939	5.4
67.05507	75.0
68.05843	1.8
69.03432	4.3
69.07071	56.6
71.04992	12.8
79.05497	81.3
81.03425	9.5
81.07059	93.8
82.07382	3.6
83.04987	55.4
83.08623	53.0
85.02919	15.4
85.06526	6.3
91.05483	46.4
91.94424	1.8
93.07047	82.3
94.07417	2.4
95.04970	96.9
95.08611	36.8
97.06534	19.1
97.10178	23.6
99.04457	29.2
99.08096	2.0
105.07035	49.0
107.04968	17.2
107.07860	4.1
107.08597	81.3
109.06516	19.2
109.10152	23.5
111.03697	3.8
111.04450	70.5
111.08064	17.0
117.07008	15.2
119.08588	33.8
121.06514	12.5
121.10152	51.6
123.08055	10.9
123.11708	7.3
125.06009	4.2
125.09616	25.6
129.07010	6.8
130.07780	2.7
131.08572	27.6
133.10123	22.1
135.08031	10.2
135.11690	23.3
137.09639	6.0
139.11179	7.1
141.09033	3.0
143.08516	3.9
145.10121	30.7
147.08018	6.5
147.11707	17.9
149.09633	51.0
149.10844	2.5
149.13271	4.0
150.09996	2.5
151.11159	4.2
153.09093	4.1
153.12726	9.3
155.08530	3.8
157.10146	8.3
159.11696	17.3
161.09654	4.7
161.13275	7.0
163.11194	46.4
163.14912	1.8
164.11522	2.7
165.12775	6.4
167.10660	3.1
169.10086	4.5
171.10185	1.9
171.11668	5.3
173.09676	2.9
173.11797	3.6
173.13258	5.3
175.11154	3.6
175.14702	1.9
177.12737	7.4
181.12222	12.3
183.11728	3.0
183.13780	2.3
187.11221	6.3
189.11240	19.3
189.12733	3.3
191.10684	4.1
193.12213	5.0
197.13301	3.7
205.12309	12.3
207.13829	5.0
211.13271	4.0
223.13301	100.0
224.13641	6.5
227.12781	2.9
229.19504	5.4
237.14708	2.3
239.17918	5.2
247.20674	4.7
257.18976	12.3
275.20074	98.0
276.20557	9.7
293.21097	43.8
294.21393	2.2
304.27167	2.0
349.23767	4.3
367.24799	50.9
368.25226	4.7
370.42459	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43316	1.3
53.03941	5.0
53.72617	1.2
55.01875	17.1
55.05515	49.1
57.03441	21.8
57.07080	9.2
57.07306	1.5
59.05018	1.5
65.03940	3.4
67.05508	58.6
69.03424	4.0
69.07072	52.4
69.69483	1.5
69.75315	5.3
70.07418	2.0
71.04996	8.8
73.20342	1.4
79.05496	59.3
81.03400	5.2
81.07060	100.0
82.07381	3.4
83.04989	29.6
83.08624	28.8
85.02902	5.8
85.06524	4.0
91.05485	80.4
93.07047	54.1
95.04971	44.9
95.08610	38.2
97.06535	13.2
97.10169	12.0
99.04458	13.3
99.08083	4.0
105.07028	38.2
107.04982	14.8
107.08599	45.0
108.08131	8.4
108.08820	1.9
109.06510	17.1
109.10175	13.3
111.04448	32.3
111.08081	12.6
114.75381	1.6
117.07026	10.0
119.08585	26.6
121.06508	6.4
121.10148	25.6
123.08071	9.5
123.11755	7.4
125.05998	2.6
125.09635	15.3
127.07569	2.4
129.07019	3.4
131.08562	16.0
133.06517	1.9
133.10121	16.5
135.08061	6.4
135.11711	10.1
137.09631	4.1
137.13138	1.9
139.07565	1.5
139.11188	5.3
141.09126	1.5
143.08589	2.5
145.10132	20.9
146.10535	1.8
147.08060	4.1
147.11693	20.8
148.12083	1.5
149.05942	1.6
149.09619	28.2
149.13274	7.3
151.11183	3.7
153.09106	2.7
153.12750	3.8
157.10107	6.0
159.11681	11.2
161.13252	4.8
163.11194	29.0
165.12781	5.6
169.10167	1.8
171.10217	1.8
171.11699	3.4
173.11835	2.0
173.13290	4.7
175.11209	3.5
177.12724	3.4
179.14211	1.7
181.12276	4.3
183.11678	1.9
185.13205	1.5
186.07448	1.5
187.11226	4.0
187.14763	2.2
189.11259	8.1
191.10664	2.5
193.12303	3.5
195.13733	3.4
197.09639	1.9
197.13243	2.3
201.12766	2.5
205.12218	4.4
207.13742	1.6
211.13231	2.4
219.17438	1.5
223.13301	41.9
224.13541	2.1
229.19539	4.4
237.14793	1.6
239.18147	1.9
247.20662	4.6
256.13321	23.4
257.19000	10.5
275.20068	58.8
276.20416	6.3
293.18030	2.0
293.21127	19.3
294.21439	2.7
312.19565	21.3
349.23514	2.9
355.30252	1.7
367.24786	33.3
368.25275	4.1
381.48816	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.3
55.01876	38.1
55.05515	89.8
55.14299	2.1
57.03441	38.8
57.07093	3.4
57.17095	2.3
59.04999	3.5
65.03926	5.0
67.05145	4.8
67.05507	88.7
67.16063	2.3
68.05822	3.5
69.02033	17.7
69.03430	6.2
69.07072	55.5
71.04980	13.7
74.23048	2.6
77.03913	3.0
79.05497	100.0
80.18240	2.4
81.03429	13.1
81.07058	82.3
83.04985	58.6
83.08625	52.2
85.02905	18.8
85.06545	7.2
91.05477	46.6
92.05746	2.9
93.07044	93.2
94.07394	3.7
95.04972	96.4
95.08608	45.2
97.02875	2.8
97.06543	17.5
97.10181	22.0
98.10545	2.4
98.23342	5.0
99.04456	35.0
99.08124	3.6
101.06046	3.7
103.05491	3.2
105.07032	47.1
105.07677	3.9
107.04965	21.3
107.08598	81.3
109.06515	19.0
109.10159	32.3
111.04446	64.7
111.08087	17.1
115.05379	2.6
117.07034	15.6
119.08591	44.2
119.14050	2.5
120.08126	7.4
121.06512	17.4
121.10158	45.5
123.08038	12.5
123.11707	9.0
125.05977	4.6
125.09644	27.9
127.07488	2.6
129.07021	9.0
131.08578	29.8
132.04498	3.1
133.10133	25.9
133.43130	3.0
135.08055	12.1
135.11713	26.6
137.09590	8.7
139.11159	8.9
145.10135	39.2
147.04445	3.3
147.08064	8.3
147.11714	18.3
149.09625	59.7
151.11188	5.9
153.09099	6.2
153.12790	10.8
155.08545	5.8
157.10141	3.5
159.11697	15.4
161.09622	4.3
161.13228	4.6
163.11191	52.9
165.12820	7.0
167.10675	7.2
169.10152	5.5
171.11690	4.6
173.09604	3.8
173.11841	5.0
173.13297	7.1
174.05513	5.3
175.11137	4.8
177.12761	5.8
179.10587	2.8
181.12253	10.4
183.11729	8.0
183.13844	3.1
187.11218	5.6
187.14920	3.3
189.11258	10.9
191.10629	5.3
193.12259	5.1
197.13310	4.1
202.04976	13.6
205.12294	14.4
207.13876	3.8
211.13313	4.1
218.07146	2.5
220.06143	5.3
223.11082	4.7
223.13300	87.7
224.13628	5.4
229.19571	8.0
239.17949	7.0
247.20625	4.6
257.19016	13.7
264.07703	2.8
275.20065	96.2
276.20416	8.7
287.31140	3.0
293.21066	26.5
335.09119	9.1
337.06870	3.1
339.12405	3.3
343.52167	3.1
367.11783	20.6
367.24911	31.5
368.25403	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01867	5.1
55.05275	1.5
55.05514	18.7
57.03444	14.5
57.07059	1.3
58.74179	1.0
65.03933	1.9
67.05507	44.7
69.03417	1.6
69.07069	31.4
71.04996	2.8
71.37157	1.2
79.05496	38.1
79.88357	1.0
81.03416	3.7
81.07058	100.0
82.07375	2.4
83.04971	5.1
83.08619	11.8
83.84417	1.0
85.06548	2.9
91.05479	24.5
93.07043	26.8
95.04958	9.5
95.08615	27.8
97.06526	8.8
97.10191	2.2
98.22634	4.7
99.08094	3.9
105.07032	24.1
107.04961	6.3
107.08598	15.3
109.06526	15.9
109.10157	8.7
111.08080	4.7
111.44048	1.0
117.07021	5.0
119.08589	17.2
120.08942	1.5
121.06500	3.6
121.10166	13.4
123.08070	6.0
123.11713	10.8
125.09617	3.5
129.07040	1.9
131.08565	9.3
133.10144	14.9
135.08063	4.2
135.11650	4.2
137.09616	3.1
143.08542	2.0
145.10126	7.7
147.11693	20.9
149.09618	9.1
149.13290	6.1
151.11160	2.7
155.08623	1.5
157.10126	5.2
159.11707	7.1
161.13222	3.8
163.11171	5.1
163.14890	1.3
165.12753	7.1
167.14246	1.6
171.11740	2.4
173.13261	3.4
175.11147	2.5
177.12773	2.6
179.14290	2.6
191.08556	2.0
191.14333	1.6
193.12299	2.9
195.13754	2.8
207.13803	2.2
217.26994	1.2
221.05954	1.6
229.19563	1.6
230.25854	1.1
236.08534	1.6
247.20616	2.1
257.19009	2.7
261.09103	1.3
275.07431	1.2
275.20087	25.8
276.20398	2.8
293.21167	4.2
307.09549	2.5
335.09174	9.9
336.09805	1.5
349.23550	4.8
367.11810	8.0
367.24670	19.6
367.28284	15.9
368.24805	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02973	8.2
55.01869	14.5
55.05517	42.1
57.03444	16.9
57.07066	10.4
61.58124	9.4
67.05515	54.2
69.03426	13.5
69.07063	70.5
71.04971	11.1
71.30274	9.1
71.59319	8.6
76.09500	8.5
79.05484	65.3
80.94826	10.1
81.07057	100.0
82.84044	9.2
83.04994	19.6
91.05502	19.5
93.07062	66.9
95.04990	11.2
95.08611	56.7
97.02905	21.3
97.06557	23.5
99.04464	39.3
105.07044	27.2
107.08598	13.4
109.06500	12.9
109.10217	10.5
111.04471	20.0
113.06030	20.6
117.07050	9.6
119.08605	13.5
121.06525	17.7
121.10153	55.2
127.01804	9.8
131.08595	41.1
133.10129	12.5
133.87865	8.5
135.08047	18.8
135.11667	13.1
139.11182	17.8
147.11714	16.1
149.09608	68.8
159.11647	10.2
161.13312	13.0
167.10724	76.9
168.42784	9.1
183.13791	96.2
201.11975	9.6
201.14915	27.2
206.78403	8.8
211.13266	23.5
250.06453	9.4
253.14481	15.9
275.20117	25.6
279.15579	10.1
300.46399	10.5
367.20932	11.7
367.24792	67.5
377.30502	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.0
55.01873	16.3
55.05515	63.4
57.03438	22.6
57.07087	2.2
65.03933	6.0
67.01852	1.7
67.05508	100.0
69.03432	4.0
69.07072	36.5
69.91005	5.3
71.05005	5.7
79.05497	67.6
80.60777	2.0
81.03430	9.7
81.07060	92.0
82.07388	1.9
83.04992	16.6
83.08619	38.7
85.06556	5.6
91.05486	58.4
93.07047	67.9
94.07394	2.3
95.04972	29.5
95.08611	57.8
97.02937	2.6
97.06533	14.8
97.10181	6.1
99.08011	1.8
103.05479	3.2
105.07037	52.6
106.07417	1.8
107.04958	18.5
107.08598	38.9
107.09283	3.0
108.78619	1.6
109.06507	14.1
109.10164	33.2
111.04443	2.3
111.08090	10.4
111.79048	1.7
115.05481	3.0
117.07032	22.0
119.08577	39.2
121.06490	11.3
121.10149	34.0
121.11008	1.8
122.10508	1.7
123.04339	1.9
123.08076	12.8
123.11727	8.7
125.09657	11.6
127.07576	1.9
127.63635	1.9
128.06261	1.8
129.07028	8.1
131.08566	27.4
133.06514	2.8
133.10143	39.8
135.08051	8.2
135.11696	18.4
137.09631	11.6
139.11226	2.8
141.07050	2.8
141.36421	1.7
143.08580	3.5
145.06509	3.4
145.10132	29.9
146.10460	1.9
147.08008	4.5
147.11699	22.0
149.09627	36.3
149.10718	3.0
149.13290	4.8
149.95207	1.7
150.09958	2.2
151.11197	12.3
153.09137	1.7
155.08614	4.5
157.10170	5.9
159.08044	2.1
159.11688	20.1
161.09622	3.4
161.13284	8.0
163.11185	35.4
165.12762	8.4
169.10126	5.0
171.11728	6.8
173.09602	3.2
173.13235	8.2
175.11243	5.1
177.12766	8.2
179.14314	2.9
183.11736	3.4
185.13348	2.8
187.11247	5.0
189.11267	2.0
189.12833	4.0
191.10631	2.2
191.14360	2.4
193.12207	2.2
197.13286	4.7
201.12762	2.5
205.12303	3.1
213.16583	1.7
215.17998	2.0
223.13301	5.4
229.19568	7.0
239.17987	5.9
247.20621	6.7
251.08003	1.9
257.19034	12.8
265.21765	2.1
275.20071	76.4
276.20404	7.0
293.21021	8.0
346.04037	1.6
349.23761	18.2
367.19659	2.7
367.24667	40.5
367.28473	12.1
368.25034	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.9
55.01880	31.3
55.05514	82.6
56.96576	3.5
57.03439	27.7
57.07070	3.6
60.02092	2.7
63.88205	2.9
65.03934	9.4
67.05508	89.0
67.05878	4.6
69.03429	4.6
69.06722	5.3
69.07069	58.4
69.94221	9.4
71.05006	16.6
79.05499	86.6
79.05966	4.7
81.03416	12.1
81.07061	84.3
83.04987	56.3
83.08624	55.7
85.02927	16.2
85.06569	4.8
86.00452	3.1
91.05483	54.5
93.07048	83.0
95.04973	87.8
95.08047	5.5
95.08609	62.6
97.06554	16.8
97.10166	20.1
97.32142	2.4
99.04469	34.1
99.08060	3.7
100.11270	7.9
105.07028	49.3
107.04961	18.1
107.08604	81.2
109.06523	13.2
109.10168	27.4
111.04448	56.7
111.08061	23.4
113.06013	3.4
117.07020	17.5
119.08586	37.4
121.06526	14.8
121.10149	47.1
123.08074	10.0
123.11688	7.4
125.06006	5.2
125.09631	26.8
129.07024	9.3
131.08565	34.0
133.06523	3.9
133.10135	25.9
135.08057	11.7
135.11693	25.6
137.09645	4.3
139.11186	7.3
143.08540	3.2
145.10161	39.0
147.08119	6.2
147.11685	16.0
149.02353	3.4
149.09621	59.1
149.13210	3.6
150.02650	3.2
151.11150	5.6
153.09077	3.5
153.12730	11.9
157.10094	6.7
159.11723	16.4
161.13263	5.8
163.11162	50.9
165.12791	4.4
169.10309	2.9
170.23727	2.8
171.11705	5.3
172.26987	3.0
173.11784	4.9
173.13330	8.2
175.11197	4.4
177.12758	4.3
179.10634	3.1
181.12222	7.7
183.11612	4.3
185.13065	4.1
187.11165	9.7
189.11255	17.5
189.12703	3.6
191.10757	7.1
193.12177	5.5
194.05315	3.0
197.13278	4.2
202.05000	3.4
205.12227	12.8
205.14206	2.6
207.13712	4.9
211.13235	5.1
219.13864	3.1
223.13293	94.2
224.13684	4.7
227.12718	4.8
229.19614	5.3
231.06400	3.2
232.74637	2.8
239.17996	4.6
247.20708	5.3
257.19006	13.6
269.10941	2.8
275.20062	100.0
276.20258	8.4
293.21155	29.8
367.17770	11.4
367.25061	31.6
368.25000	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
54.77814	0.9
54.86286	1.0
55.01873	5.2
55.05514	19.0
57.03441	13.2
57.07069	1.6
65.03938	2.7
67.05508	46.7
69.03436	1.6
69.07071	33.2
71.04984	3.0
71.08637	0.9
71.28303	1.1
79.05495	39.6
80.26276	0.8
81.03424	4.0
81.07059	100.0
82.07386	2.5
83.04990	6.5
83.08627	11.3
83.43591	1.1
85.06541	4.2
91.05482	30.3
93.07047	28.0
95.01327	1.1
95.04980	9.5
95.08609	25.6
96.08949	1.0
97.06523	10.3
97.10177	2.9
99.08105	3.6
101.06030	1.7
105.07037	27.0
107.04961	6.7
107.08601	16.7
109.06520	15.7
109.10151	9.4
111.08081	5.1
115.05489	1.0
117.07010	7.7
119.08583	16.7
120.08144	1.6
121.06523	5.3
121.08423	1.8
121.10151	10.4
123.08093	7.4
123.11712	9.5
125.09647	2.5
127.07649	1.0
128.06256	1.6
129.07018	6.0
131.08572	11.8
133.06512	2.3
133.10129	14.3
135.08061	2.6
135.11673	5.6
137.09633	3.6
141.07001	1.6
142.07768	1.7
143.08537	3.5
145.06506	5.7
145.10120	7.2
147.08070	2.5
147.10609	1.8
147.11696	20.5
148.11983	1.0
149.09621	6.1
149.13261	5.5
151.11217	2.4
155.08562	2.8
157.06490	3.1
157.10159	4.0
159.08014	1.5
159.11736	6.9
161.09648	1.7
161.13298	3.0
163.11186	5.2
163.14880	1.3
165.12772	5.6
168.84554	1.0
169.06491	1.7
169.10101	2.0
171.08070	2.1
171.11671	2.2
173.09593	1.3
173.13335	3.4
175.11198	3.7
177.12753	3.3
179.14380	0.9
180.61530	1.0
183.08052	1.0
183.11743	1.6
187.14920	1.1
191.14311	1.3
193.12183	2.0
195.08134	1.4
195.11703	1.7
195.13765	2.2
197.09666	1.4
197.13298	2.1
201.12462	1.2
209.09764	1.5
219.11617	1.1
223.11320	2.2
223.13264	1.1
229.19545	1.7
237.12755	3.0
239.17937	1.8
247.20616	2.5
255.13791	3.9
257.19025	3.9
273.14828	2.7
275.20035	21.2
276.20389	2.0
293.21112	4.2
341.70331	1.0
349.21753	5.8
367.22824	17.9
367.24359	17.4
368.22964	1.1
368.25568	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	39.5
57.07071	21.7
61.67992	9.7
66.26770	8.5
67.05513	57.7
69.07069	36.2
71.08624	10.1
71.29900	11.9
79.05499	58.2
81.07053	83.2
83.04971	9.9
83.08613	21.3
91.05476	87.1
93.07048	95.7
93.96653	10.2
95.04982	56.2
95.08639	50.9
97.10180	9.6
105.07040	96.2
107.08607	81.0
109.06551	13.7
109.10152	37.0
109.23299	8.8
111.04434	9.9
117.07030	22.6
119.08588	100.0
121.06519	15.1
121.10142	57.1
123.11707	23.1
128.06198	14.2
129.07043	12.6
130.07907	9.7
131.08585	67.5
133.10152	80.8
135.08069	20.0
135.11694	39.2
141.07005	11.9
142.07773	27.0
143.08562	36.3
143.37175	11.0
145.06514	10.0
145.10132	71.9
146.07344	11.2
147.11676	12.3
149.09650	21.8
155.08565	12.6
156.09329	12.5
157.10147	54.6
159.11696	47.8
161.09666	41.9
161.13216	14.3
169.10127	11.5
171.11649	35.7
173.13261	24.0
175.11201	14.5
175.14745	16.3
179.08498	14.7
183.11771	24.6
185.13257	15.9
187.14674	14.7
195.11670	11.7
197.13194	17.0
199.14850	19.7
201.16344	9.9
209.13335	27.2
227.14505	22.3
259.45154	10.6
301.97446	9.6
367.26266	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.9
55.01864	3.4
55.05509	22.6
55.59900	2.2
57.07074	10.5
59.05003	4.3
65.03922	4.3
67.05178	4.7
67.05508	44.9
69.03432	6.6
69.07070	25.5
70.06591	4.8
71.04990	9.0
79.05496	40.0
81.07060	53.3
83.04988	4.9
83.08618	10.3
85.06531	5.9
88.07626	10.1
91.05483	61.6
93.07047	76.0
95.04970	31.5
95.08612	57.3
97.06543	10.1
98.23420	4.5
99.08121	3.4
101.83791	2.9
103.05495	5.5
105.04512	3.0
105.07033	96.4
106.08676	14.9
107.04959	3.2
107.08595	61.1
108.41575	2.6
109.06503	15.0
109.10162	33.3
111.08077	4.0
115.05390	5.8
115.07899	2.8
116.06211	6.4
117.07053	20.6
119.06084	3.4
119.08588	100.0
121.06518	10.2
121.09304	4.3
121.10142	51.9
121.24347	2.8
122.59141	2.6
123.08060	7.7
123.11698	11.6
128.06219	8.2
129.07031	16.2
130.07765	9.2
131.08562	52.2
133.10143	54.1
135.08038	16.7
135.11707	20.6
137.09628	8.4
141.06998	9.4
142.07787	22.7
143.08559	38.7
144.09331	11.9
145.10123	64.3
145.45863	2.5
146.07231	7.2
147.08035	10.1
147.11655	17.7
149.09621	10.4
149.13293	6.2
150.52661	2.6
153.07004	3.8
155.08580	12.8
156.09326	12.4
157.10130	48.9
157.11293	5.1
158.10835	7.8
159.08061	3.0
159.11674	35.0
161.09630	46.4
161.13295	9.7
163.11183	4.5
165.06958	3.5
166.07767	3.8
167.08588	6.3
168.09392	4.8
169.10175	15.7
170.10867	9.5
171.11699	22.2
173.09615	8.1
173.13266	24.0
175.11186	6.3
175.14818	19.8
179.08549	9.0
181.10161	10.2
182.10860	4.4
183.11716	18.3
184.12422	5.5
185.13242	17.7
187.14812	9.7
193.10197	5.2
194.10968	8.1
195.11714	11.2
196.12428	6.7
197.13269	18.9
198.13989	2.9
199.14807	10.4
201.12738	4.9
201.16406	6.5
207.11702	3.5
208.12366	3.6
209.13240	20.5
210.13962	5.3
211.14774	5.5
213.12579	3.8
213.16377	6.9
215.14256	3.5
217.15709	3.0
221.13246	4.3
223.14909	6.8
225.16389	4.6
227.14305	16.9
228.98291	3.6
235.14728	2.8
236.15309	3.3
239.17888	6.0
251.17979	3.7
255.17375	2.9
267.17514	3.1
269.18936	3.3
275.17868	3.2
275.20554	3.0
290.74741	2.8
349.25317	10.2
367.26157	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97240	3.6
53.03948	15.1
55.01871	7.1
55.05512	34.4
57.03431	10.0
57.07067	9.5
59.04992	6.1
65.03947	4.3
67.05181	5.8
67.05508	62.5
69.03426	7.4
69.07076	35.4
71.04996	6.4
71.08631	4.5
79.05497	57.1
81.07062	97.1
83.04978	10.8
83.08626	17.5
85.06554	13.5
91.04961	7.1
91.05484	69.3
93.07047	80.4
95.04974	42.9
95.08614	66.0
97.06542	11.4
97.10200	8.2
103.05473	6.4
105.04539	4.2
105.07034	94.8
107.04867	5.1
107.08600	69.0
109.06496	19.3
109.10165	47.0
111.08091	7.0
115.55984	3.6
116.06239	4.4
117.07024	23.6
119.08588	100.0
119.68975	3.7
121.06520	12.0
121.10152	53.7
123.08055	8.8
123.11727	16.3
125.09592	5.6
128.06224	7.6
129.07018	20.5
130.07799	11.6
131.08565	59.8
133.10130	65.8
135.08051	17.4
135.11652	18.7
137.09628	4.9
139.11221	4.7
141.06963	6.5
142.07788	17.8
143.08556	39.9
144.09363	11.8
145.06512	5.8
145.10124	52.4
147.08026	8.1
147.11711	28.2
149.09642	21.6
149.13261	4.7
155.08591	11.6
156.09373	12.2
157.10141	47.7
158.10898	8.8
159.11667	33.1
161.09628	41.7
161.13298	8.5
163.11208	8.6
165.06990	5.9
167.08632	6.6
168.09358	4.6
169.10107	22.2
171.11714	23.2
172.12358	4.8
173.13237	23.7
175.11195	10.6
175.14824	19.7
179.08585	8.4
180.09357	3.9
181.10138	8.6
182.10976	4.7
183.11723	15.0
184.12357	5.7
185.13344	17.8
187.14813	17.1
189.11252	4.1
194.10980	4.2
195.11758	13.6
196.12492	7.9
197.13245	18.5
199.14894	10.7
201.16415	7.3
207.11723	6.3
209.13387	21.4
211.14810	6.1
213.16301	4.9
219.17426	6.4
221.13272	6.3
227.14297	13.4
228.77132	4.4
235.14893	4.9
237.16292	7.4
239.17950	10.5
257.19025	8.8
267.17441	5.6
269.18945	4.8
275.20166	13.0
283.20663	4.9
293.82874	3.9
349.25214	8.6
359.15167	4.1
367.25909	21.3
368.42859	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	367.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.02781	0.5
57.03443	1.0
59.26673	0.4
67.05515	3.1
69.07066	1.8
71.95188	0.5
79.05503	2.0
81.07066	4.9
83.08631	0.7
91.05476	1.8
93.07060	2.0
95.04988	1.5
95.08622	2.1
98.23459	1.0
105.07043	2.4
107.04975	0.7
107.08576	1.6
109.06526	0.7
109.10150	1.2
111.08092	0.5
115.70189	0.5
119.08614	1.8
121.10204	0.6
125.63013	0.6
129.07089	0.7
131.08598	0.9
133.10127	0.7
147.11699	0.7
149.09645	0.8
157.10127	0.5
246.13632	0.5
269.10785	0.6
275.20126	1.5
337.27072	0.8
367.28223	100.0
368.28522	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	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.03438	0.4
58.80252	0.3
61.02927	0.7
69.03435	2.2
71.04980	0.3
71.10134	0.5
74.67559	0.3
81.03404	0.9
85.02911	5.7
87.04465	0.6
88.11243	0.8
90.48795	0.3
94.32889	0.3
97.02909	2.3
99.04496	0.4
104.04980	0.3
109.02882	1.0
127.03915	1.1
132.04463	7.8
136.49600	0.3
145.04970	1.4
150.01309	0.3
159.90651	0.3
160.03838	0.8
163.03920	0.3
177.05499	0.8
178.05000	68.5
179.05316	2.6
206.04498	100.0
207.04819	4.1
211.34497	0.3
227.30765	0.3
229.10925	0.3
260.96057	0.3
306.57236	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	368.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05508	8.6
57.07080	3.2
65.85876	2.1
67.05510	14.1
67.95468	2.0
69.03429	6.4
69.07070	10.3
69.30682	5.4
69.31092	8.7
70.93352	2.2
72.04521	100.0
74.06075	2.1
79.05491	7.2
80.77094	2.4
81.07056	13.5
82.69395	2.4
91.05463	5.3
92.05823	2.2
92.07123	2.7
93.07053	17.9
95.04980	3.6
95.08611	8.6
97.02907	10.2
97.06532	2.0
97.10161	7.0
98.22520	2.2
99.42070	2.0
105.03732	4.7
105.07022	7.1
107.08586	3.3
109.10140	3.7
111.04437	8.8
113.06007	3.1
114.09175	12.1
119.08572	3.1
120.89603	2.0
121.06498	8.8
121.10151	12.5
123.04431	30.8
128.10713	5.0
131.08582	10.9
133.10017	2.6
135.08057	6.4
142.12355	2.7
143.88597	2.2
144.41463	2.0
145.10141	2.1
147.08018	3.0
147.11618	3.2
149.09592	13.3
161.13292	4.5
167.10680	18.8
184.16974	64.0
185.17401	2.9
189.12756	5.1
202.18033	90.5
235.13286	5.0
253.14288	11.8
264.09998	4.5
280.19073	37.5
294.21500	4.0
350.26730	6.6
358.09735	2.1
368.12918	20.0
368.24490	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	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05523	7.2
57.07085	3.2
67.05513	3.6
69.03442	2.2
69.07064	6.4
70.92472	1.8
71.08630	1.3
72.04521	98.7
73.04846	2.1
79.05504	6.0
81.07053	6.6
83.04984	2.4
85.06544	1.9
90.41293	1.1
91.05483	3.9
91.11887	1.1
93.07061	11.2
95.08645	3.4
97.02891	12.3
97.06542	2.8
97.10202	4.5
99.08108	1.5
100.07626	3.0
105.07055	2.2
107.08620	2.3
111.04433	6.1
113.06033	2.5
114.09166	11.5
121.06524	6.7
121.10150	10.8
123.04412	2.0
128.10748	4.6
131.08569	10.6
139.11235	2.0
149.09637	16.5
167.10692	18.4
184.16977	62.3
184.18639	3.0
185.17288	2.7
202.18028	100.0
203.18384	4.5
368.21338	3.4
368.28116	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	369.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.5
56.05040	33.8
61.01154	100.0
62.92869	1.4
67.05507	2.7
69.03426	1.7
70.02695	3.5
70.03025	1.9
72.04504	1.5
79.05518	1.4
81.03392	2.3
81.07101	1.7
84.08134	1.3
84.67791	1.3
87.02715	4.0
89.88997	1.3
91.05497	4.0
97.02883	1.6
98.06027	2.5
98.22730	2.3
100.03987	1.6
101.02386	4.7
104.05334	60.5
105.07028	3.4
109.10126	2.3
110.06032	4.5
119.08637	1.6
120.04478	2.3
126.05530	20.2
131.04904	1.7
132.04477	4.3
133.03194	9.4
133.10187	3.0
138.05507	37.2
138.06509	2.7
146.06046	1.9
150.05879	3.4
156.06528	7.1
161.09627	5.2
174.05502	21.6
181.09831	1.6
184.06052	73.4
185.06352	2.4
186.05841	18.6
202.05000	45.7
203.05266	3.1
204.06882	22.7
207.10216	2.5
214.05322	8.3
220.06102	16.5
232.06400	47.8
337.07202	2.1
337.10678	9.5
338.95560	1.9
369.14432	3.2
369.18839	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.01873	0.9
56.96413	0.5
57.03443	4.7
59.05003	2.2
69.03428	1.1
69.14241	3.9
71.01369	3.0
71.05001	3.7
77.03934	1.6
77.77127	0.5
79.05501	4.5
83.01364	0.8
85.02913	5.9
87.04473	4.5
89.03919	1.4
91.05489	1.1
95.04978	5.9
97.02917	1.6
97.06535	0.8
98.23369	1.1
99.04449	5.5
103.03922	1.0
105.03400	100.0
105.04549	2.9
106.03738	3.6
111.04485	0.9
113.02380	1.3
117.03385	4.3
123.04446	5.5
127.03939	1.5
141.01837	0.8
145.02869	8.1
149.05974	1.4
155.03448	0.8
169.04971	0.7
172.07336	0.7
173.04550	1.1
177.05493	11.4
179.07045	29.2
180.07439	1.6
197.08145	1.1
204.40021	0.5
207.06512	7.1
277.07153	2.1
277.10547	0.6
323.11295	1.2
369.08130	1.8
369.15472	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	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52030	0.8
53.03954	4.6
57.03436	4.6
59.05004	4.0
61.02938	1.0
66.19233	0.9
67.05492	1.5
69.03442	6.7
70.89330	0.8
71.01357	9.1
71.05003	5.3
73.02927	2.5
75.04487	1.6
79.05489	5.3
79.24969	0.9
80.13332	1.0
81.03415	3.5
83.01344	1.1
83.04986	0.9
84.04504	1.0
84.35197	0.9
85.02431	1.5
85.02909	19.4
87.04482	6.2
89.06042	1.0
91.05494	7.4
93.07047	1.8
95.04974	4.5
97.02896	11.5
97.06548	1.8
98.09744	0.9
99.00816	3.8
99.04444	5.0
105.03400	100.0
106.03766	2.7
109.02883	1.4
111.04439	3.1
113.02381	4.4
117.03386	1.1
119.04952	6.1
119.08596	1.2
121.06489	2.1
121.10160	2.0
123.04437	7.7
127.03915	3.4
131.03421	2.9
133.10091	0.9
135.11728	1.0
136.07603	2.0
141.01895	1.8
145.02882	2.3
147.04408	5.4
155.07019	1.0
175.03920	6.6
177.05519	3.3
179.07036	23.2
180.07370	1.1
189.12724	1.0
191.14284	0.9
207.06546	13.4
207.13814	1.2
221.08054	4.5
226.63646	0.9
266.02521	0.9
276.09943	2.2
277.10828	1.0
319.08325	1.6
351.10901	2.7
369.11572	2.1
369.15442	1.8
370.12695	1.1
378.10522	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	369.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43736	2.0
55.72616	2.0
59.93904	2.1
70.06594	16.9
70.09219	6.9
70.09582	2.8
71.06905	3.1
78.49580	2.3
81.03428	2.5
81.07035	2.3
86.09696	3.1
96.52328	2.0
97.02864	2.9
101.00377	2.3
104.19190	2.3
107.04923	3.3
130.08762	2.7
137.09616	2.9
141.56924	2.1
147.11647	3.6
153.01866	4.8
161.09676	5.0
165.01859	45.3
165.09171	3.7
170.37196	2.2
183.02864	13.9
213.12335	5.6
214.12640	7.1
249.03902	3.6
273.07321	4.5
285.07565	23.2
341.63950	2.3
369.13055	100.0
370.13351	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	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.05509	2.9
65.03943	9.3
65.20003	2.5
66.03000	2.7
67.05499	6.2
69.12385	6.3
69.12786	16.0
79.05514	3.5
81.03439	3.6
81.07047	6.4
82.94221	2.4
91.05495	8.9
93.07067	5.3
95.04962	5.2
95.08633	3.5
100.11294	3.3
105.07060	10.5
107.04954	5.2
107.08619	3.3
108.02058	3.0
110.03648	5.7
111.04452	9.5
115.05486	3.4
119.04956	7.1
119.08639	4.1
121.06528	6.5
121.10136	3.4
123.04415	4.5
125.05988	7.0
129.07047	3.5
131.04991	2.7
132.05733	2.9
133.06522	3.2
133.10187	3.2
137.06004	8.0
147.04425	7.0
151.03951	5.6
151.07567	3.9
153.05457	19.5
159.08086	3.8
161.05972	6.9
161.09656	4.4
165.09142	3.1
167.07053	7.5
175.03906	8.9
177.05521	6.4
178.07825	4.5
179.06998	4.3
181.04901	3.5
185.06102	5.0
191.08597	5.9
198.80684	2.8
199.07555	9.4
202.07791	5.5
203.08569	4.5
205.06436	5.5
207.06548	14.8
207.08247	5.5
208.09000	3.3
209.00134	2.7
215.07127	4.3
216.07935	8.0
218.07347	6.7
219.08116	10.9
220.08759	5.5
221.05956	5.4
221.09697	3.7
222.06641	4.3
229.08540	6.4
231.08047	5.5
234.06924	5.0
235.07578	7.4
236.08388	6.3
237.09114	4.8
247.07600	9.3
248.04758	3.0
248.08318	6.5
249.09163	7.7
250.06224	4.1
251.07068	4.7
251.10732	11.0
261.09125	3.5
262.06171	3.5
263.07007	3.2
264.07755	14.7
264.37433	2.9
265.08603	11.2
266.09235	3.6
275.07050	3.2
276.07855	5.4
277.08569	13.6
279.07178	2.6
279.10150	12.2
281.08130	5.8
291.10025	4.1
293.08084	5.7
294.08694	6.1
295.09857	5.1
305.08145	5.6
307.09610	32.3
308.10400	6.3
309.11264	10.5
311.09506	3.4
311.12637	13.3
319.09656	4.6
323.09280	3.6
332.35388	3.0
337.06995	4.8
337.10663	40.4
338.11227	7.0
339.12341	22.2
341.13834	5.8
351.12183	7.9
352.12790	3.7
352.24771	10.1
369.13419	38.0
369.18820	6.9
369.22537	100.0
370.23077	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	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
50.85122	0.3
53.03918	0.4
55.01865	1.1
57.03430	0.4
69.03423	0.6
69.19215	1.4
69.19633	1.7
69.59766	0.4
74.31955	0.4
79.05480	0.7
81.03400	1.5
85.02884	0.5
91.05490	2.5
93.07027	0.5
103.05473	0.8
105.03360	0.9
105.06985	0.5
107.04932	1.2
111.04476	0.5
115.05475	0.5
115.23369	0.4
119.04928	1.8
119.08565	0.6
121.06484	0.8
122.52965	0.5
126.23067	0.4
126.30611	0.4
128.06198	0.5
129.06990	0.5
131.04948	2.0
137.05965	0.8
145.02686	0.4
145.06429	1.2
147.04402	3.7
152.06168	0.7
161.05959	0.6
161.09619	0.8
165.06966	2.5
165.09114	0.4
166.07722	1.2
167.08414	0.8
175.03931	1.2
176.06203	0.7
177.06979	1.2
178.07770	3.8
179.08537	2.4
181.05025	0.6
181.06445	2.1
181.10138	0.6
182.07158	0.5
183.08121	0.5
187.07552	0.7
189.07021	1.7
190.07727	2.4
191.08569	2.9
192.09282	1.2
193.06487	0.8
194.07285	5.0
195.08034	2.5
202.07780	4.6
203.08569	4.1
204.09273	0.7
205.06516	3.5
205.10226	0.6
206.07243	2.4
207.06367	2.7
207.08200	3.1
208.05206	0.9
208.08853	2.0
209.05962	1.1
209.09697	2.4
210.06715	0.9
211.07571	0.9
215.08572	1.0
217.06503	0.9
218.07240	3.5
219.08075	6.1
220.05278	0.9
220.08807	4.7
221.05991	2.5
221.09590	1.7
222.06731	3.9
223.07515	3.4
224.08299	1.0
225.08995	0.7
229.06535	0.6
230.07231	1.1
231.08075	5.8
232.08720	2.3
233.05994	2.7
233.09656	1.3
234.06770	3.3
234.10327	0.5
235.07576	6.0
236.08298	3.4
237.05458	0.8
237.09068	4.7
238.06212	1.8
238.09755	1.3
239.07028	0.9
245.05959	0.9
245.09634	0.9
245.46214	0.5
246.06723	1.2
247.07529	5.6
248.08334	6.7
249.05385	0.8
249.09119	4.8
249.82758	0.4
250.06284	3.5
250.09822	1.3
251.06992	4.1
251.10623	1.4
252.07846	2.9
253.08450	1.0
258.06760	1.0
259.07565	1.7
260.08264	1.1
261.05453	1.0
261.09137	2.2
262.06192	1.3
262.09778	1.4
263.06998	3.4
263.10724	1.8
264.07855	3.2
265.08600	14.2
266.06018	0.7
266.09241	3.6
267.06485	0.9
267.10025	0.7
273.09152	0.4
275.07013	1.2
276.07742	3.0
277.08530	2.3
278.05920	1.1
278.09326	2.1
279.06509	3.2
279.10138	4.2
280.07245	1.4
280.10852	1.4
281.08206	0.7
281.11716	1.5
282.08835	1.0
283.09332	0.6
289.08536	0.7
291.06808	0.9
291.10101	13.1
292.07538	0.6
292.10544	0.9
293.08099	6.3
294.08786	5.8
295.09546	2.2
305.07858	0.9
307.09662	3.7
308.10352	1.9
309.11218	12.0
310.11639	1.4
311.09018	1.3
311.12524	0.8
319.09653	7.4
322.08249	2.0
323.09116	1.8
337.10696	100.0
338.11218	12.2
339.12131	1.6
351.10944	1.0
369.13324	23.7
370.13730	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1886
Annotation	His Val Asn
Peak:m/z	Relative Intensity
65.53686	0.4
69.07071	0.9
79.05480	0.7
81.07068	0.5
83.85893	0.5
84.04500	0.5
91.05466	0.7
105.07087	0.7
107.08548	0.5
133.10144	0.9
138.87834	0.5
178.48245	0.5
203.05219	4.0
369.18823	100.0
370.10461	0.6
370.19150	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	369.1887
Annotation	His Val Asn
Peak:m/z	Relative Intensity
55.05488	0.9
62.83323	0.5
69.03400	0.5
70.13831	1.6
79.05484	0.8
81.03452	0.4
81.07083	0.8
91.05470	1.0
93.07064	0.9
95.08596	0.6
105.07069	1.5
107.08616	1.0
109.02866	0.7
119.04926	0.6
119.08574	0.9
121.06470	0.8
123.04480	0.6
133.10133	1.0
135.11679	0.4
143.08693	0.5
147.04446	0.7
161.09621	1.3
165.05504	0.5
175.03941	0.5
179.85762	0.5
203.05276	3.6
207.10104	0.7
207.13582	1.8
369.18842	100.0
370.19193	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	369.1885
Annotation	His Val Asn
Peak:m/z	Relative Intensity
76.47799	0.5
93.07040	0.6
98.23373	1.5
104.45789	0.5
105.07049	1.1
111.04451	0.5
119.08617	0.5
139.89607	0.5
145.87683	0.5
203.05238	6.4
369.18832	100.0
370.19257	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	369.1887
Annotation	His Val Asn
Peak:m/z	Relative Intensity
55.05513	0.4
57.88273	0.3
58.47892	0.3
58.52799	0.3
58.53156	0.4
64.16663	0.4
69.07082	0.5
69.16770	2.2
73.36455	0.3
77.87077	0.3
85.02905	0.4
91.05485	0.6
100.11255	0.9
119.04927	0.4
119.08617	0.4
121.06521	0.5
131.08578	0.5
142.64098	0.3
143.88400	0.3
147.04372	0.4
151.07559	0.4
180.12659	0.4
192.24849	0.3
203.05270	4.2
207.06580	0.8
284.20667	0.4
337.10867	0.4
350.01950	0.3
369.18835	100.0
370.19211	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	369.1886
Annotation	His Val Asn
Peak:m/z	Relative Intensity
50.38692	0.6
51.26884	0.6
55.05495	0.6
57.03446	0.7
61.32371	0.6
67.05490	1.7
67.86827	0.6
69.03424	2.1
69.07059	0.6
70.24648	1.3
71.05006	1.4
79.05510	1.8
81.03419	2.0
81.07063	2.2
84.04497	1.3
85.02900	1.4
90.43092	0.5
91.05469	2.2
93.07050	2.1
95.04976	1.0
95.08628	0.7
97.02888	0.7
97.06525	1.1
99.04468	1.8
105.07041	3.3
107.08614	1.3
109.06493	1.2
109.10159	1.0
111.04427	1.0
119.08591	4.0
121.10195	1.0
123.04462	0.8
127.03896	1.0
128.06235	0.9
130.05038	1.3
133.10144	3.9
137.05972	4.6
141.73242	0.6
143.08589	0.9
145.10123	0.7
147.07976	1.4
147.11769	0.7
161.09674	4.2
161.23323	0.6
175.03865	0.7
189.09102	1.4
207.10187	2.9
210.09123	1.2
277.18045	2.1
309.12326	0.7
340.04123	0.6
351.14487	1.3
369.18817	100.0
370.14886	1.1
370.19165	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
54.61193	4.7
55.05524	7.5
57.03440	5.6
61.02924	8.3
69.03439	53.8
69.07056	6.1
70.06576	5.9
70.14866	16.5
81.03381	4.9
83.04977	12.5
83.08578	5.1
85.02904	31.8
91.05515	5.3
95.04969	5.7
95.08607	12.7
97.02924	6.1
105.07067	8.8
119.08583	12.3
120.16555	4.8
121.06522	6.3
121.10151	7.2
123.08070	41.9
133.06491	40.7
133.10129	10.9
135.08035	13.5
137.02351	12.2
147.08072	5.5
147.11745	7.7
149.09647	16.1
151.07545	40.7
161.13229	14.5
163.11203	13.8
165.09213	5.8
173.09691	5.0
174.10359	11.8
189.12747	45.9
191.14301	18.6
207.13794	100.0
222.49664	5.8
227.14197	6.6
243.13707	24.0
313.07159	6.5
313.12918	6.8
341.06558	12.3
351.18497	6.7
369.06097	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72837	1.8
57.03444	2.2
67.05486	2.3
69.03434	7.3
70.06596	2.2
75.66485	1.8
79.05482	3.1
79.76854	1.5
81.03419	4.3
81.07069	5.4
85.02909	13.0
91.05476	14.4
93.07069	3.9
95.04979	4.0
95.08611	4.5
97.02901	4.3
97.06530	3.8
99.04465	1.8
105.07029	9.1
107.08594	4.3
109.02892	2.9
109.06516	4.6
117.03394	2.4
117.07031	3.1
119.04947	8.9
119.08575	6.6
121.06520	9.9
121.10127	2.9
123.08075	2.1
127.03954	2.7
129.06978	2.0
131.08582	7.8
133.02771	1.7
133.10135	14.7
133.71637	2.1
135.04416	2.4
135.08063	3.4
135.11710	3.1
137.02341	5.8
145.02872	4.8
145.04967	2.4
145.10094	4.4
147.04398	20.1
147.08090	2.4
147.11711	18.9
151.07518	4.4
155.10663	2.7
159.11687	4.0
161.09628	2.8
163.03944	4.6
171.11717	5.4
175.03905	8.1
176.11948	8.7
177.05510	12.0
177.12770	8.3
189.12781	13.4
191.14281	1.9
207.06535	10.6
207.09924	11.2
207.13809	100.0
208.14119	4.7
313.07208	3.0
333.89197	2.1
341.06656	9.4
351.10519	2.6
369.06070	17.1
369.14743	15.8
369.19098	4.0
369.23178	2.2
370.23608	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62132	1.4
55.05500	3.3
57.03419	3.0
61.02924	3.8
67.05497	3.1
67.66629	2.0
69.03446	9.0
71.05000	2.4
73.02912	3.5
79.05486	4.0
81.03407	4.8
81.07060	3.9
83.04981	6.9
85.02908	16.0
86.09745	2.0
89.03914	3.8
91.05501	9.9
92.05821	4.1
93.07030	4.5
95.01334	2.3
95.04967	4.1
95.08598	3.9
97.02897	7.1
99.04450	3.9
101.02374	2.5
105.03379	12.0
105.07047	9.5
107.04983	1.8
107.08609	7.8
109.02885	2.6
109.06542	3.0
110.07191	2.1
116.10444	1.4
117.03371	16.6
117.07029	2.4
119.04941	5.1
119.08588	14.9
121.06506	5.3
121.09409	1.5
121.10168	7.0
123.04477	1.9
123.08061	2.0
126.05567	2.0
127.03890	3.0
128.06177	1.6
129.07045	1.9
131.08533	3.2
133.10139	20.1
135.08012	4.4
135.11713	1.8
136.07579	13.8
137.07901	6.4
137.09616	6.3
143.08565	2.7
145.02840	31.2
145.04845	2.5
145.06532	2.0
145.10127	5.4
147.04448	2.0
147.08058	4.9
147.11684	6.7
149.05971	4.9
149.09625	17.1
151.11176	13.2
151.70428	1.8
156.07469	1.7
156.09344	6.4
159.08043	16.5
160.08667	2.0
161.09648	3.4
161.13226	11.4
163.11191	11.2
171.11710	7.0
173.09531	3.2
173.13188	2.9
174.10414	47.1
175.10677	2.3
177.05466	42.8
178.39610	1.6
179.05305	4.1
179.06940	4.0
179.10785	1.9
187.11182	3.3
188.07040	4.2
189.07361	4.8
189.12747	100.0
190.13007	2.5
191.14299	16.8
203.05098	2.3
205.09758	2.4
206.10037	3.2
207.06290	2.4
207.13788	25.0
208.14064	2.7
224.14630	1.5
369.08026	6.4
369.15158	10.1
369.19235	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	369.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.4
56.96569	41.9
66.12176	1.1
67.05489	1.1
69.07055	1.4
71.29941	1.2
71.95270	6.3
72.96044	2.6
74.06187	1.1
75.62817	1.1
81.07045	1.7
83.08606	4.1
83.62355	1.1
86.48749	1.3
91.05487	1.5
95.08604	2.0
97.02880	2.1
103.63472	1.2
105.00191	1.4
110.97572	5.6
115.00735	1.5
123.01139	1.9
128.98586	5.3
137.02702	2.1
141.02209	1.3
145.01767	1.3
146.99680	2.4
155.03818	1.9
159.03249	1.6
167.03757	1.3
169.05446	1.3
171.03296	2.0
173.04892	1.7
181.05429	2.1
185.04839	1.8
187.06401	1.8
189.04410	1.8
189.07968	1.3
191.05835	1.3
199.06429	7.4
203.05846	2.1
207.06923	1.9
207.09024	1.7
211.06456	2.1
213.07971	16.4
217.05475	1.1
217.07484	6.0
218.76793	1.3
223.10109	1.4
225.08054	5.7
229.07545	10.6
231.06926	1.5
231.09061	16.3
233.08357	1.2
237.07962	3.7
239.09547	5.3
241.11134	11.7
243.09100	4.5
247.08537	7.1
251.09598	8.5
255.09206	6.1
257.10678	5.6
259.12152	14.3
261.10193	1.4
269.10605	48.1
270.10913	3.4
270.53699	1.5
273.10129	1.7
287.11676	22.3
292.12247	2.8
315.16321	2.0
333.17328	17.7
334.17548	2.5
351.18454	37.7
352.18640	2.5
369.19431	100.0
370.19809	8.7
374.20294	1.7
387.20547	78.9
388.20853	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	369.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
55.05513	3.7
56.05032	5.0
56.96566	1.0
57.03438	2.7
57.07069	1.2
67.05515	8.1
69.07065	2.5
71.04993	1.3
71.08636	54.7
72.08952	1.4
79.05495	23.5
81.07063	11.4
83.05001	2.1
83.06106	29.8
83.08624	2.7
84.04509	100.0
85.02903	1.7
85.04814	0.9
85.06532	1.9
86.14044	0.8
91.05489	6.4
93.07053	12.2
95.04981	1.9
95.08601	4.3
97.06538	2.4
97.10166	1.2
99.08099	57.5
101.07153	16.6
102.05546	18.9
102.06171	1.6
105.07025	4.8
107.04973	1.4
107.08604	14.9
109.06514	5.6
109.10175	5.2
111.08084	1.1
113.09663	1.2
117.07031	2.9
117.51995	0.9
119.08598	2.6
121.06438	0.9
121.10169	6.9
123.08072	2.0
123.11694	1.4
125.09643	2.0
127.11204	2.3
129.06606	56.9
130.05008	78.5
131.05299	1.1
131.08553	5.5
133.10143	1.3
135.08069	9.4
135.11664	2.1
137.09601	1.8
139.11206	1.5
145.10133	3.5
147.07652	49.8
148.07980	0.8
149.09630	8.5
153.09111	2.2
156.74413	0.8
159.11710	0.9
161.13225	1.4
163.11250	1.0
163.14801	1.9
177.12885	0.9
177.16383	4.6
187.14812	7.9
189.14699	0.9
191.14345	0.9
195.17477	2.4
205.15892	25.1
206.16183	1.5
222.18546	1.6
223.16934	52.2
224.17291	2.6
229.07425	3.0
240.19569	20.8
241.17952	1.6
241.20090	1.4
247.08563	2.7
268.69025	0.8
277.21732	2.4
293.38556	1.0
295.22656	3.1
306.20691	1.6
324.21719	14.7
351.22757	4.1
352.21161	6.3
369.19482	2.3
369.23373	10.6
370.19351	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	369.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.2
56.05038	4.0
67.05506	32.1
69.07073	10.0
69.37673	19.0
71.42947	3.3
71.91459	3.1
76.68816	3.1
77.37424	2.8
79.05499	31.9
81.03439	3.4
81.07060	30.4
83.06107	23.5
84.04507	88.3
85.06564	5.7
86.09748	5.0
91.05473	16.0
93.07042	38.5
95.04988	4.7
95.08612	35.9
97.06533	6.8
98.23325	6.3
101.07168	12.2
102.05553	7.6
105.07041	11.6
107.08614	18.9
108.59718	3.2
109.10151	17.2
111.08059	4.1
117.07040	10.7
119.08575	7.2
121.06499	3.9
121.10138	30.1
129.06589	41.8
130.05000	100.0
131.08582	16.3
133.10147	6.5
135.08150	4.7
135.11705	3.9
145.10150	8.7
147.04436	5.2
147.07623	60.6
147.11688	4.6
149.09644	6.8
151.11169	3.3
159.11691	4.0
161.13327	5.9
163.07362	3.2
163.11238	5.8
163.14856	4.8
177.16446	4.0
187.14815	27.9
205.15868	35.2
222.18633	4.2
223.16946	8.8
252.12389	3.4
288.19495	3.3
291.17953	4.0
351.22806	8.6
358.73276	3.1
369.18707	3.7
369.22885	12.8
370.12009	3.5
370.16125	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85275	9.9
53.03953	10.6
55.05502	31.6
65.03912	8.3
67.05508	86.8
69.07064	29.4
71.04996	9.7
71.08629	36.7
71.30628	11.2
79.05486	77.1
80.38939	9.3
81.07060	100.0
83.04968	28.1
83.08611	15.8
87.13560	9.5
91.05479	42.4
92.64947	9.6
93.07043	95.1
95.04951	19.9
95.08633	56.3
97.06535	18.5
97.10181	13.5
97.87728	9.4
99.08099	42.9
105.07015	32.6
107.08606	57.7
109.10132	36.6
119.08565	24.9
121.10126	51.8
131.08549	10.0
133.10150	27.9
135.11699	40.9
147.11731	17.9
149.13266	17.9
151.11098	16.9
161.13226	18.1
161.24854	10.3
165.12770	15.6
173.13336	12.7
178.55507	9.2
179.14316	89.1
199.14926	11.6
214.90504	9.8
259.20544	12.6
277.21512	77.7
351.25229	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01876	22.6
55.05515	71.7
57.03433	25.9
57.07074	10.0
67.05508	74.9
67.70663	2.1
69.07076	34.3
70.33178	3.1
70.33530	5.1
71.04984	6.2
71.08236	3.4
71.08634	61.8
79.05497	47.4
81.03428	7.4
81.07059	100.0
82.07397	3.0
83.04978	14.2
83.08620	52.8
83.76779	1.8
85.06553	9.2
85.10196	11.4
91.05483	45.5
93.07045	45.0
95.04968	14.4
95.08609	55.8
97.06533	21.5
97.10145	5.9
99.08096	51.9
105.07037	40.6
107.04977	5.8
107.08601	26.9
109.06519	9.7
109.10149	21.4
111.08090	38.0
113.09663	16.1
117.07021	5.4
119.08584	29.7
121.10150	23.8
123.08074	6.5
123.11715	16.0
125.09574	3.9
127.07539	2.1
129.06995	7.6
131.08586	6.3
133.10136	27.3
135.08107	3.7
135.11694	14.7
137.09642	4.8
139.11179	8.6
143.08612	3.9
145.10132	7.2
147.08075	2.2
147.11707	36.4
148.78122	2.2
149.09604	6.3
149.13260	17.3
151.11211	20.3
153.12743	3.7
157.10153	6.0
159.11742	4.2
159.88171	2.1
161.13301	16.8
163.11195	11.1
165.12770	41.8
167.14304	4.1
171.11707	7.0
173.11792	3.2
173.13234	3.6
175.11214	8.5
175.14786	4.7
177.12679	3.4
179.14336	11.7
183.13899	2.2
185.13228	3.6
193.12263	3.8
193.15894	2.3
199.14896	3.3
207.13806	2.4
221.15332	3.9
231.20944	4.1
241.19566	4.4
242.20024	2.9
249.22127	5.0
259.20563	14.5
277.21655	84.6
278.22058	4.4
295.22653	16.9
351.25339	16.6
369.21655	4.9
369.26416	57.1
370.26291	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01872	1.6
55.05514	14.8
57.03444	8.9
57.07081	8.6
67.05508	31.6
68.05811	1.2
69.07072	16.2
70.42897	2.8
71.04994	5.4
79.05498	18.1
81.03424	8.6
81.07063	30.6
83.04986	6.1
83.08622	5.7
85.02899	4.6
85.06547	3.0
85.10194	20.2
91.05475	12.9
93.07039	13.5
95.04971	15.2
95.08613	16.5
97.06538	4.5
97.10173	3.9
99.08084	2.2
105.07036	13.6
107.04976	3.3
107.08594	15.3
109.06499	6.5
109.10149	25.0
110.10465	1.3
111.08076	3.1
113.05995	1.5
113.09644	17.2
117.06989	1.5
119.08575	6.4
121.10147	6.4
123.08074	2.4
123.11677	3.6
125.09641	2.8
127.07555	1.1
129.07005	1.9
129.30046	1.0
131.08568	4.4
133.10121	11.9
133.42911	1.0
135.08052	1.3
135.11708	1.5
137.09608	1.3
143.08475	1.3
145.10112	1.8
147.11684	4.2
149.09659	3.8
151.11166	6.3
157.10153	1.7
161.13258	2.8
165.12769	34.5
165.54489	1.3
169.12300	3.7
171.11717	1.3
175.11208	1.7
179.14304	2.7
189.11160	1.3
189.12715	1.9
207.13843	2.9
231.21135	2.3
249.22269	1.4
259.20605	3.8
277.21616	59.8
278.22003	4.4
288.24493	1.1
295.22675	100.0
296.22961	7.6
347.27567	1.0
351.25284	2.5
367.88443	1.2
369.26373	17.6
377.45709	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
54.78716	1.1
55.01872	3.2
55.05516	17.4
57.03444	13.5
57.07075	16.2
59.04996	1.1
65.03941	1.4
67.05508	38.0
69.03420	1.0
69.07072	19.0
70.25614	2.7
71.05000	7.0
71.08633	2.7
79.05064	2.1
79.05500	22.7
81.03423	7.8
81.07064	44.0
82.07379	1.2
83.04988	8.9
83.08627	7.9
85.02896	5.6
85.06547	3.1
85.10188	29.7
85.60856	1.1
91.05490	22.1
93.07046	20.7
95.04984	14.6
95.08615	22.4
95.09245	1.4
97.06522	5.7
97.10201	5.3
98.23282	1.1
99.04510	1.6
99.08088	2.1
105.07043	18.5
107.04971	4.2
107.08598	18.5
109.06531	6.4
109.09454	2.2
109.10166	32.7
109.10927	1.7
111.08082	1.7
113.06014	1.9
113.09650	30.5
114.10021	1.1
115.87975	1.1
117.07050	1.1
119.08596	7.4
121.10168	9.4
123.08066	5.7
123.11713	5.7
125.09613	3.5
127.07574	1.6
129.06961	2.4
131.08615	4.8
133.10139	19.3
135.08121	1.1
135.11667	3.7
141.12753	2.9
145.10176	2.4
147.11679	7.0
149.09625	6.9
149.13290	1.7
151.11186	7.6
153.12807	1.7
157.10103	1.9
161.13277	3.7
163.11194	3.9
165.12779	34.9
166.13155	1.3
167.14320	1.2
169.12299	7.0
171.11719	2.4
171.41176	1.0
173.11772	1.5
175.11159	2.4
175.14819	1.5
179.14302	4.4
181.12225	1.0
189.11121	1.2
189.12665	1.3
197.15382	1.5
207.13843	2.7
231.21237	1.2
237.84911	1.0
241.19543	2.2
249.22195	2.8
259.20609	4.8
268.77802	1.1
277.21646	61.7
278.22031	5.1
295.22687	100.0
296.22961	7.0
369.26447	13.5
388.19238	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01877	15.5
55.05515	72.2
57.03443	24.6
57.07076	6.3
59.04996	2.0
59.42115	1.6
65.03938	2.7
67.05507	72.5
68.05836	1.9
69.03433	4.6
69.07072	32.6
69.51582	7.5
71.05000	7.5
71.08638	48.0
79.05499	40.1
81.03432	4.4
81.07060	100.0
83.04979	15.1
83.08620	57.4
85.06543	7.4
85.10200	5.2
91.05481	46.0
93.07048	43.0
95.04988	9.2
95.08610	42.7
97.06535	19.6
97.10174	5.2
99.08099	42.2
105.07040	39.5
106.07341	3.2
107.04978	2.6
107.08601	29.7
109.06541	8.8
109.10149	16.0
111.08088	24.7
111.11712	2.0
113.09660	7.6
117.07013	4.3
119.06068	1.5
119.08594	26.2
121.10139	23.2
123.08076	7.7
123.11712	13.0
125.09630	4.0
127.07492	1.8
129.06999	6.1
131.08571	7.8
133.10139	22.1
135.08128	2.6
135.11684	11.8
137.09641	3.8
137.13297	4.0
139.11183	5.5
141.09108	2.2
143.08574	3.0
145.10114	7.3
147.11688	38.4
148.12143	1.6
149.09641	7.2
149.13261	18.1
151.11171	16.8
153.12811	1.8
157.10153	8.0
159.11693	4.5
161.13303	11.4
163.11179	4.2
163.14847	3.0
165.12749	26.4
166.13068	2.2
167.14336	4.3
171.11725	6.3
173.11725	2.5
173.13139	1.7
175.11229	7.5
175.14867	4.3
177.09171	1.8
177.12743	3.8
179.14304	9.5
183.13733	2.0
185.13205	2.5
189.12813	2.5
193.12256	3.4
207.13890	1.9
221.15295	2.5
231.21078	3.3
241.19571	2.6
249.22174	7.4
259.20477	9.1
273.40936	1.9
277.21622	57.4
278.22043	3.6
295.22769	8.9
348.09860	2.3
351.15668	1.6
351.25467	8.1
369.26419	47.5
370.26511	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	370.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45020	0.3
61.89828	0.2
65.03941	1.0
69.25066	1.3
81.07077	0.3
91.05484	11.1
92.05833	0.5
98.09692	0.4
108.04520	0.2
114.56289	0.3
119.04948	25.7
120.05258	0.7
145.08336	0.2
146.14967	0.3
147.04413	100.0
148.04750	3.4
152.04042	0.3
152.54807	0.2
190.13034	0.3
370.15747	0.4
371.16742	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	370.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84169	2.5
70.06614	4.1
71.28249	4.3
79.05474	4.6
80.18021	2.5
83.04986	6.2
85.02898	3.4
86.09743	2.9
91.05476	8.2
93.07043	8.0
95.04967	5.5
95.08589	7.4
103.05458	7.3
105.03392	3.6
105.07030	3.6
107.04926	4.2
107.08648	4.2
109.10193	2.9
117.03432	3.3
119.08637	3.7
121.06522	17.5
121.10130	5.6
131.04941	6.1
133.10132	10.4
135.04451	5.2
141.06914	2.6
145.02800	4.4
146.03555	3.9
147.04393	11.3
151.44778	3.0
161.05980	9.3
163.03934	6.8
167.10718	6.3
175.07520	3.3
177.05486	11.4
178.05763	4.7
185.04280	5.4
186.04558	4.3
187.03850	3.6
189.05513	3.8
191.03369	3.6
191.07080	3.5
191.14351	4.5
202.02605	8.7
207.09889	6.3
208.04218	7.7
208.10201	13.1
215.03362	2.8
217.04977	100.0
218.05231	4.7
219.06651	5.8
229.04941	6.6
233.04500	4.1
245.04553	13.1
247.05981	6.2
273.07501	3.7
275.05542	8.6
293.06604	19.1
305.06482	9.4
315.10199	2.7
344.56354	2.9
352.22668	5.9
353.08655	5.0
370.15561	18.0
370.23502	5.7
371.16901	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37913	0.7
52.56923	0.6
57.51639	0.7
58.63910	0.6
59.72354	0.7
65.03945	1.3
67.44086	0.8
70.34006	1.7
70.34331	0.9
72.08135	0.9
79.05450	0.8
91.05482	14.2
93.07031	2.0
98.84309	0.7
105.07004	1.3
107.08604	2.0
111.79955	0.7
119.04947	30.0
120.05237	0.8
120.08125	1.5
121.10142	1.7
139.03874	0.7
141.94499	0.7
142.02078	0.7
147.04407	100.0
148.04715	4.2
224.76474	0.7
371.23892	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	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62859	4.7
52.74285	4.9
57.03460	7.2
57.07081	51.7
63.97060	4.1
68.47003	5.0
69.03421	5.4
69.13620	34.0
70.06606	35.4
71.01344	5.4
71.04982	5.2
72.08162	9.6
73.67196	4.6
80.72541	5.4
81.03418	6.9
84.04524	6.9
85.02900	16.1
85.06084	5.7
85.06554	69.7
86.09708	7.0
95.01323	5.1
97.02876	4.9
98.23379	11.2
103.07578	8.6
109.02882	14.1
110.07175	10.8
113.02386	5.0
114.44756	4.4
119.04918	4.5
119.08573	8.4
121.06555	5.7
136.32274	5.3
141.01782	11.6
143.08633	5.9
147.04381	29.7
156.07678	9.1
159.10164	100.0
160.10545	6.0
162.54272	4.3
163.03944	6.7
167.10704	5.7
177.11223	48.5
178.04979	5.6
179.05251	5.8
187.10829	8.9
209.04439	20.1
249.14828	9.9
266.62231	5.0
307.24875	4.6
310.31006	5.0
370.15866	9.4
371.16830	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34661	9.5
65.05151	9.5
69.30470	63.6
70.06594	12.6
71.50452	12.1
71.72523	9.7
84.08161	14.2
94.65528	10.9
148.50461	10.2
154.27437	10.5
174.36708	10.5
210.05913	11.3
312.55460	12.2
371.07370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	23.4
69.31903	14.2
69.32309	27.4
70.06612	38.5
72.08182	7.7
73.04771	19.4
80.39659	6.4
84.08183	12.2
85.02923	9.0
90.52549	5.2
91.05833	28.0
94.32198	5.4
97.02944	9.8
98.97601	36.4
110.07192	17.4
110.97601	25.5
116.98614	13.4
121.06506	100.0
122.06825	34.1
128.98621	11.3
137.02348	14.0
138.09181	20.8
139.09489	8.7
142.08652	6.5
146.36903	8.3
146.99622	9.3
153.38599	5.5
156.07748	14.1
161.01268	5.7
163.03929	7.5
175.11986	9.7
201.00711	11.5
219.01808	25.8
220.48477	5.3
223.61028	5.5
231.24551	5.2
237.02818	41.6
263.00958	7.1
268.97797	8.9
272.80536	5.3
285.01102	15.3
323.56339	6.1
355.07309	8.1
371.03259	16.3
371.26913	11.2
389.03836	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64368	15.0
52.19781	17.8
58.39812	18.0
70.69249	35.6
79.68899	16.8
80.00696	15.3
83.87543	18.7
94.93028	18.7
99.60875	17.8
149.20970	19.8
194.71599	16.1
195.31201	20.8
345.57147	19.6
371.07330	100.0
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
52.26080	13.2
66.52501	16.7
69.27628	43.2
69.28037	54.6
73.04762	18.9
95.37826	14.2
109.65518	14.0
119.51842	14.4
132.08174	17.3
163.03906	62.3
219.02950	33.6
219.79175	14.4
247.02466	47.3
275.01782	22.1
371.07550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51456	0.9
55.05512	1.2
56.97133	0.8
59.04925	0.8
65.03963	1.7
66.83295	0.9
67.05527	1.4
69.07079	1.5
71.30847	0.9
79.05476	1.8
81.07063	1.6
90.03468	1.3
91.05463	1.7
92.05005	4.3
93.07037	3.2
95.08620	1.5
103.05472	9.6
105.07018	1.6
107.04966	2.5
111.04471	1.2
116.04994	1.2
118.06558	2.3
120.04476	44.1
120.08112	100.0
121.04892	0.9
121.06556	1.5
121.08414	2.1
121.10165	2.4
123.04424	1.3
129.05515	1.3
131.04958	2.8
131.08699	0.9
132.04491	1.1
133.06430	1.0
137.06007	3.5
138.05518	3.8
144.04472	2.1
145.06528	1.2
146.02377	45.7
146.06026	14.6
147.02774	1.3
147.04437	1.3
147.06476	1.2
149.11456	1.0
151.03935	2.0
153.05565	1.1
156.39104	0.9
159.07959	1.2
161.05995	1.0
162.05524	7.8
163.03973	2.0
163.07655	1.0
164.03433	2.1
166.08691	5.7
167.07086	3.4
169.06660	1.0
173.06071	1.0
175.07578	2.1
177.09181	1.1
187.07616	1.1
188.03459	10.9
188.07135	3.0
189.05443	1.5
206.04454	1.6
222.09119	2.0
235.07542	1.3
248.08366	1.0
277.08652	1.4
289.09869	5.7
293.08362	0.9
300.09940	1.1
307.10767	48.9
308.11057	3.1
325.11850	16.2
326.12036	1.8
327.12613	1.1
339.12418	1.9
353.11191	13.3
354.11499	1.1
369.98447	1.1
371.11334	2.9
371.15158	3.4
371.20392	3.5
371.27789	1.2
373.27795	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	371.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36902	2.0
55.05515	10.0
57.07086	3.3
61.38605	2.0
69.03432	7.3
69.07080	3.7
69.21984	5.3
69.22380	12.9
70.06598	12.1
72.08173	3.0
78.03450	4.7
81.03417	6.3
81.07080	2.7
83.08627	5.1
84.04496	2.5
85.02908	7.2
86.09717	4.4
93.07039	2.3
95.08633	2.7
97.02896	4.5
100.07626	8.6
100.11266	14.6
106.02921	16.0
107.08631	5.4
107.09734	2.1
109.02902	5.3
111.04461	9.9
111.08073	4.1
116.07090	4.3
121.10144	3.5
124.03946	27.9
125.09676	9.5
127.03917	3.5
128.04999	3.0
128.07109	7.2
131.08521	3.0
131.37387	2.6
133.10130	3.8
135.08089	7.7
146.06015	100.0
147.06352	2.2
149.09637	5.3
161.09259	3.4
163.14828	3.0
166.05220	2.2
173.13287	7.6
174.05525	22.3
182.15433	23.8
191.14320	32.7
192.06549	38.4
203.05415	2.6
209.15326	33.3
210.14864	27.5
227.17586	10.2
231.41075	2.6
244.20259	4.2
250.07182	9.4
268.08182	14.8
336.22949	3.8
337.21259	10.4
354.23859	12.2
371.16797	43.3
371.20917	4.1
371.26544	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	371.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57500	5.1
69.01093	14.8
69.01516	32.0
70.06590	11.8
74.44365	4.9
81.07065	4.9
84.04508	6.3
84.08163	7.0
98.26127	5.2
98.97607	7.3
102.44051	5.4
146.73598	5.5
147.25838	6.1
151.03874	10.7
153.01859	26.6
163.11128	7.0
191.14290	5.9
219.10121	7.2
371.14621	100.0
371.26514	17.1
372.15234	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	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.71765	1.5
65.03925	2.2
78.04726	4.0
79.05506	10.5
85.02931	2.0
91.05435	8.0
93.07010	2.3
95.04970	3.6
98.23374	3.6
101.06007	2.2
103.05486	3.6
105.03414	1.8
105.07019	7.1
107.04972	14.7
109.06454	1.7
115.05463	4.6
117.06977	2.3
119.08555	3.5
121.06529	5.6
123.04431	8.1
124.05260	5.1
125.06006	1.9
128.06233	5.3
129.05534	2.7
129.06995	6.8
131.04913	7.1
131.08585	1.9
132.05757	4.7
133.06493	6.4
137.05963	5.2
147.04399	3.2
147.08047	4.2
151.03893	6.9
153.05446	1.9
156.05637	2.2
159.08051	5.7
160.05138	2.6
161.05991	7.6
162.06776	2.7
163.03928	4.0
163.07628	1.9
167.07039	100.0
168.07455	3.0
175.07520	30.7
176.04742	2.3
176.07762	1.9
177.05476	3.5
178.16191	1.7
179.08496	1.8
187.07532	15.2
189.09109	3.2
191.07033	7.4
192.07834	3.2
199.07515	7.9
202.07744	3.6
203.08597	3.7
205.06566	1.8
206.07257	2.9
207.08188	2.4
215.08545	3.4
217.08478	3.7
218.07272	4.9
219.08057	4.6
221.09627	3.0
231.08138	1.6
232.08952	3.1
233.09581	3.5
234.06958	2.4
235.07494	4.9
246.06631	2.8
247.07361	2.7
249.09152	6.6
250.06085	2.4
250.09689	2.7
251.07024	2.6
252.07697	2.2
261.09091	6.4
262.06277	1.7
263.07025	3.3
264.07718	2.1
265.08395	3.8
266.09402	2.3
277.08560	4.6
278.09192	2.6
279.10022	2.6
280.07370	3.0
281.08206	2.6
281.11710	9.6
289.08578	4.7
291.10062	1.8
293.11707	4.4
295.09769	2.1
309.11105	9.7
321.11380	8.4
322.11847	3.1
326.11475	2.1
339.12192	18.2
341.10199	2.7
341.13818	5.7
353.10126	2.3
353.13846	3.8
371.10757	2.6
371.15259	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1679
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05507	1.2
57.07076	0.5
67.05490	0.4
68.98458	2.2
69.03418	0.4
70.06599	2.5
72.08112	0.4
81.07050	0.4
83.05003	0.5
83.08614	1.0
84.08132	0.4
86.09706	0.5
88.03997	0.3
91.05428	0.5
93.07060	0.4
95.08621	0.3
95.09439	0.3
100.07642	1.6
100.11268	2.7
105.06998	0.4
111.04485	2.0
119.04980	0.6
120.05263	0.4
126.35848	0.3
128.07076	1.8
140.07158	0.3
145.04991	0.3
147.04390	1.8
148.04756	2.7
163.03917	2.2
167.07101	0.4
182.15428	2.7
191.10625	0.5
193.12083	0.8
201.03708	0.8
203.05316	0.7
208.89020	0.3
209.07838	0.4
209.11563	0.7
209.16533	0.5
210.14914	4.4
227.17610	1.6
228.15915	0.5
229.15421	0.4
244.20230	1.2
259.07990	0.3
259.12823	0.5
275.35352	0.4
283.11502	0.4
301.12619	2.7
313.12543	1.0
336.22736	0.5
337.21310	1.8
353.15610	0.3
354.23984	2.3
371.16769	100.0
372.17108	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	371.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
60.03332	0.5
63.54914	0.6
67.05491	0.6
69.03434	1.0
70.06594	5.7
70.69836	0.5
72.08149	0.9
79.53984	0.6
81.07062	0.6
84.04506	5.1
84.08125	0.6
85.02902	0.8
85.06494	0.5
86.09711	1.2
101.07121	0.7
102.05543	0.6
105.07061	0.8
119.08592	0.6
129.06561	0.6
130.05020	4.4
131.08559	0.6
147.06560	0.6
147.07771	1.5
161.09573	1.8
163.03896	0.7
167.10585	0.5
189.09254	1.3
191.10443	0.7
193.11998	11.8
201.03700	7.6
203.05283	11.2
209.04492	2.2
209.11554	0.5
230.39775	0.6
259.12921	1.0
301.12534	1.5
308.15149	0.6
313.12567	9.6
371.16763	100.0
372.17093	5.5
389.63129	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	371.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13959	1.3
53.03943	3.9
55.01871	3.8
55.05511	6.2
57.03448	1.9
65.03928	1.4
67.05500	6.1
69.03434	19.0
69.07066	2.0
70.06596	7.2
71.04978	7.1
71.29973	1.5
72.08146	2.2
79.05071	2.1
79.05499	28.5
81.03423	28.8
81.07059	8.0
83.04993	3.0
84.08122	2.7
85.02913	10.1
85.06533	1.8
91.05471	17.0
93.07050	49.7
95.04964	3.4
97.02883	11.0
97.06549	4.2
99.04479	12.2
101.06022	2.5
103.05450	1.6
105.03381	5.9
105.04549	1.4
105.07034	56.5
106.07356	1.7
107.04921	3.7
107.08601	100.0
108.08931	3.1
109.02888	13.7
109.06534	4.6
109.10150	1.7
111.04433	2.8
111.08052	2.5
113.06017	1.4
115.05485	1.7
117.07024	6.3
119.08587	19.8
121.06512	21.6
121.10152	28.0
123.04447	1.3
123.08073	2.3
124.07623	1.6
125.00617	1.3
127.03912	16.1
129.05461	1.6
130.07809	4.7
131.08574	4.6
133.06482	1.8
133.10094	2.5
135.08075	10.7
135.11708	15.4
145.04976	1.8
145.10130	40.7
147.08018	2.5
147.11713	4.0
149.09637	10.5
155.08557	1.4
161.09589	1.4
163.11197	84.2
164.11505	3.2
167.10733	2.9
173.09593	5.1
181.12219	13.2
189.09169	2.8
191.10675	57.4
192.11073	2.8
209.11726	10.7
227.12769	6.6
229.34042	1.8
231.06458	2.0
252.13849	1.5
256.16467	1.5
335.14908	2.8
353.15854	7.1
371.26587	6.6
372.76132	1.5
383.81677	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	371.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13959	1.3
53.03943	3.9
55.01871	3.8
55.05511	6.2
57.03448	1.9
65.03928	1.4
67.05500	6.1
69.03434	19.0
69.07066	2.0
70.06596	7.2
71.04978	7.1
71.29973	1.5
72.08146	2.2
79.05071	2.1
79.05499	28.5
81.03423	28.8
81.07059	8.0
83.04993	3.0
84.08122	2.7
85.02913	10.1
85.06533	1.8
91.05471	17.0
93.07050	49.7
95.04964	3.4
97.02883	11.0
97.06549	4.2
99.04479	12.2
101.06022	2.5
103.05450	1.6
105.03381	5.9
105.04549	1.4
105.07034	56.5
106.07356	1.7
107.04921	3.7
107.08601	100.0
108.08931	3.1
109.02888	13.7
109.06534	4.6
109.10150	1.7
111.04433	2.8
111.08052	2.5
113.06017	1.4
115.05485	1.7
117.07024	6.3
119.08587	19.8
121.06512	21.6
121.10152	28.0
123.04447	1.3
123.08073	2.3
124.07623	1.6
125.00617	1.3
127.03912	16.1
129.05461	1.6
130.07809	4.7
131.08574	4.6
133.06482	1.8
133.10094	2.5
135.08075	10.7
135.11708	15.4
145.04976	1.8
145.10130	40.7
147.08018	2.5
147.11713	4.0
149.09637	10.5
155.08557	1.4
161.09589	1.4
163.11197	84.2
164.11505	3.2
167.10733	2.9
173.09593	5.1
181.12219	13.2
189.09169	2.8
191.10675	57.4
192.11073	2.8
209.11726	10.7
227.12769	6.6
229.34042	1.8
231.06458	2.0
252.13849	1.5
256.16467	1.5
335.14908	2.8
353.15854	7.1
371.26587	6.6
372.76132	1.5
383.81677	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	371.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
53.03944	6.6
55.05512	7.5
67.05517	10.8
68.70631	3.4
69.03440	18.6
69.07079	3.8
70.06596	27.5
71.04990	7.3
71.30096	2.5
71.48820	2.4
72.08160	5.9
74.79662	2.2
79.05497	31.6
81.03418	27.4
81.07052	14.9
83.05002	4.1
84.08147	7.8
85.02924	13.2
85.06515	2.5
86.09713	7.1
91.05468	19.1
93.07046	53.6
95.04980	7.5
95.08607	3.3
97.02891	13.6
97.06539	3.0
99.04458	16.9
101.06064	3.9
103.05461	3.1
105.07031	76.6
106.07352	2.6
107.04955	4.4
107.08598	100.0
109.02890	14.3
109.06532	4.0
109.10181	4.3
111.04473	3.3
111.08083	3.2
117.07037	8.4
119.08589	19.7
120.08115	5.2
121.06504	36.0
121.10158	34.9
123.04393	3.3
127.03945	11.2
130.07793	4.6
131.08611	4.8
133.10149	4.2
135.08107	12.8
135.11711	22.2
142.08627	6.1
143.08575	3.4
145.06529	3.7
145.10130	45.2
146.10428	3.0
146.11601	2.7
147.06566	4.8
147.11720	3.9
149.06122	4.1
149.09599	14.0
161.09555	2.7
163.09816	5.7
163.11180	94.1
168.06560	17.9
173.09709	7.8
175.07538	3.1
181.12285	16.2
183.02890	4.7
191.10674	60.1
192.11070	4.4
197.09834	2.8
209.11757	14.6
227.12778	9.4
299.05463	12.5
312.19424	3.1
353.15649	6.2
371.20908	16.6
371.26498	24.7
372.18204	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	371.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
53.03944	6.6
55.05512	7.5
67.05517	10.8
68.70631	3.4
69.03440	18.6
69.07079	3.8
70.06596	27.5
71.04990	7.3
71.30096	2.5
71.48820	2.4
72.08160	5.9
74.79662	2.2
79.05497	31.6
81.03418	27.4
81.07052	14.9
83.05002	4.1
84.08147	7.8
85.02924	13.2
85.06515	2.5
86.09713	7.1
91.05468	19.1
93.07046	53.6
95.04980	7.5
95.08607	3.3
97.02891	13.6
97.06539	3.0
99.04458	16.9
101.06064	3.9
103.05461	3.1
105.07031	76.6
106.07352	2.6
107.04955	4.4
107.08598	100.0
109.02890	14.3
109.06532	4.0
109.10181	4.3
111.04473	3.3
111.08083	3.2
117.07037	8.4
119.08589	19.7
120.08115	5.2
121.06504	36.0
121.10158	34.9
123.04393	3.3
127.03945	11.2
130.07793	4.6
131.08611	4.8
133.10149	4.2
135.08107	12.8
135.11711	22.2
142.08627	6.1
143.08575	3.4
145.06529	3.7
145.10130	45.2
146.10428	3.0
146.11601	2.7
147.06566	4.8
147.11720	3.9
149.06122	4.1
149.09599	14.0
161.09555	2.7
163.09816	5.7
163.11180	94.1
168.06560	17.9
173.09709	7.8
175.07538	3.1
181.12285	16.2
183.02890	4.7
191.10674	60.1
192.11070	4.4
197.09834	2.8
209.11757	14.6
227.12778	9.4
299.05463	12.5
312.19424	3.1
353.15649	6.2
371.20908	16.6
371.26498	24.7
372.18204	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	371.2
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96137	0.5
56.25898	0.5
57.57354	0.6
58.41584	0.4
58.83553	0.5
60.05652	5.4
63.12241	0.5
70.00611	1.2
70.00977	1.6
70.06271	0.9
70.06599	11.0
73.04764	0.8
83.00954	1.5
91.05782	1.8
97.07623	1.5
98.97569	1.0
101.01987	1.1
102.21351	0.5
110.97552	0.6
112.03571	2.1
112.08702	1.6
112.73421	0.6
116.07074	3.2
118.04626	1.7
128.05545	0.7
128.54170	0.5
128.98581	0.6
130.04628	0.8
130.09758	1.7
131.76263	0.5
132.01660	0.6
132.06175	0.8
137.05634	0.9
137.06839	1.7
138.05263	2.3
142.08250	2.5
151.08318	0.5
152.06700	1.3
153.05084	0.7
153.67953	0.5
154.08241	1.4
155.06636	7.5
157.10884	1.2
158.07779	0.7
158.09277	1.5
160.09271	1.1
162.06300	0.6
168.06216	1.3
169.09366	6.0
170.07768	1.8
170.09383	0.5
171.06158	1.9
171.10916	12.8
172.09299	3.5
172.10893	1.0
173.07736	15.3
174.07848	0.8
175.11934	9.0
179.07701	1.3
179.09056	7.8
180.07549	1.3
185.02942	0.6
186.07341	0.7
187.10408	3.2
189.11986	9.6
190.12122	0.9
195.09831	0.7
196.09279	1.2
197.08794	2.5
197.10245	13.4
198.07220	1.7
198.12370	0.7
215.09924	13.0
216.08287	3.5
216.10077	1.6
219.01797	0.6
221.12466	1.3
222.10857	8.7
223.11182	1.0
224.12445	6.8
233.10846	4.8
234.10876	5.1
237.02899	1.6
239.13545	3.7
240.11942	17.6
241.12241	0.9
249.11958	2.1
251.13521	21.4
252.11627	3.2
252.14114	1.1
266.14700	2.4
267.13010	3.8
269.14590	100.0
270.12643	3.0
270.15311	9.3
276.13040	1.9
277.11441	0.7
293.15735	4.5
294.13892	4.5
295.14252	0.7
311.16763	47.4
312.17255	4.2
329.17688	1.2
335.18094	0.6
336.16144	2.7
353.18948	21.0
354.18887	2.1
371.19998	56.6
372.20209	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	371.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.6
60.05655	5.7
70.06596	12.2
70.78320	0.5
71.05675	0.7
71.06001	0.6
72.08160	0.6
73.04732	1.6
83.00944	1.6
91.05795	1.2
95.06100	0.9
96.71701	0.5
97.07656	1.0
101.02006	1.4
112.03603	2.5
112.08720	1.1
116.07089	3.9
118.04669	1.2
128.05571	0.7
130.04599	1.1
130.09740	2.3
132.06142	0.5
137.06851	1.8
138.05298	2.7
142.08258	2.0
152.06714	0.8
153.05080	1.2
153.09839	1.0
154.08234	1.9
155.06622	8.1
156.06793	0.8
158.07874	0.8
158.09265	2.0
160.09302	1.8
168.06201	1.0
169.09375	6.3
170.07701	1.0
171.06186	1.2
171.10922	12.8
172.09312	4.7
172.10860	1.1
173.07735	13.7
174.07857	0.7
175.11920	9.3
179.07677	1.1
179.09052	7.6
180.06081	1.0
180.07455	2.3
187.10413	2.4
189.11975	9.3
190.12073	1.0
192.41924	0.7
195.09734	0.6
196.09340	1.5
197.10226	14.5
198.07237	1.5
198.12451	0.5
206.11406	0.5
207.97408	0.5
213.10855	0.6
215.09914	13.4
216.08238	3.2
216.10101	1.4
221.12491	1.3
222.10881	8.7
223.11087	0.7
224.12474	7.7
225.12590	0.6
233.10823	4.9
234.10866	5.7
235.11366	0.6
237.02829	1.4
239.13530	4.6
240.11932	18.5
240.14290	1.0
241.12129	1.6
248.13602	0.6
249.11952	1.9
251.13535	20.5
252.11574	2.8
252.13892	1.5
258.11978	0.8
266.14600	2.7
267.13062	4.0
268.97787	0.6
269.14590	100.0
270.12744	3.9
270.14850	7.1
276.13101	1.6
293.15747	5.4
294.14023	6.0
295.15079	0.5
311.16769	48.9
312.17252	5.6
335.17859	0.8
336.16266	2.2
353.18939	22.0
354.19464	2.4
371.20007	54.9
372.20181	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01876	5.0
55.05508	11.6
57.07071	6.8
59.04992	3.5
61.02913	4.1
65.19349	2.6
65.78948	2.6
67.05492	5.4
69.03434	20.9
69.07065	15.2
70.06598	57.7
71.04996	7.1
72.08164	12.8
73.02946	3.4
79.05472	13.5
81.03413	9.5
81.07045	14.7
83.01294	3.1
83.04990	19.1
83.08615	16.6
84.04497	10.0
84.08163	5.4
85.02900	21.7
85.06544	8.1
86.09715	10.4
87.04462	3.1
88.49393	2.6
91.05482	12.3
91.55588	2.5
91.95895	3.4
93.07047	35.3
94.07384	3.0
95.04972	54.7
95.08610	8.7
97.02883	10.3
97.06541	6.7
98.23477	6.1
99.04455	12.6
103.03970	3.6
105.07001	14.5
106.06580	3.4
107.08594	37.8
107.55159	2.6
109.02898	7.2
109.06527	7.5
109.10165	12.3
110.07167	4.9
111.04443	5.1
111.08080	3.9
113.05994	2.8
116.07092	4.1
119.08598	15.8
121.06507	4.9
121.10144	100.0
122.10526	2.7
123.08070	6.0
125.09607	4.3
127.03896	9.5
129.05492	3.5
131.08554	3.7
133.10123	9.7
135.04391	2.8
135.11681	7.4
137.06052	3.3
139.11197	5.9
141.10153	3.0
144.06558	11.0
145.04967	4.1
145.10094	5.8
147.11667	3.4
149.09630	4.4
149.13264	6.1
151.11223	8.2
153.09119	15.1
159.11772	3.4
161.09233	13.9
163.03911	10.0
163.14825	25.6
167.14308	14.3
171.99011	2.9
173.09578	3.6
173.13257	7.0
181.12219	9.8
183.14845	3.7
191.14311	18.4
193.11949	4.2
201.03716	6.4
209.15353	48.2
211.14447	4.4
216.27457	2.7
219.02757	3.3
221.15341	3.5
233.15474	5.8
245.02397	2.8
258.14499	9.6
265.18958	2.9
268.97980	2.6
276.28619	3.0
300.39468	3.1
314.57529	3.3
346.01114	2.6
371.16742	58.5
371.26651	6.4
372.17108	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05497	9.1
57.03450	9.0
67.05506	9.2
69.03430	79.0
70.06590	13.9
71.32629	12.7
79.05488	12.1
81.07066	17.6
83.04984	8.1
91.05485	12.6
93.07061	6.6
95.08615	20.1
97.06521	11.7
105.07030	18.0
107.08596	27.0
109.02809	8.2
109.06519	12.6
109.10143	9.0
119.08603	9.8
120.08126	9.9
121.10185	7.9
123.04414	20.3
123.98680	6.7
125.09656	27.2
131.08566	14.4
133.10130	15.7
135.08026	19.9
146.09637	19.5
147.04373	13.7
149.09692	9.0
151.03879	14.3
158.10893	8.5
166.47197	7.1
173.13251	23.9
180.50934	7.5
191.14301	100.0
192.10182	26.3
209.15421	80.8
219.10088	18.1
371.14920	12.3
371.26541	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26634	1.5
53.03940	2.0
54.59772	1.3
55.01857	1.5
56.49937	1.7
57.03434	2.3
57.07070	1.7
61.02925	3.1
69.03434	11.0
69.17321	6.7
69.17725	3.9
70.57009	1.4
81.03426	8.6
81.07055	5.6
83.04992	2.6
85.02905	21.5
93.07072	3.4
93.31354	1.4
95.04970	2.4
95.08596	5.0
95.43289	1.4
97.02885	6.1
99.04464	2.6
99.08134	1.5
105.07029	3.7
107.04942	2.4
107.08591	4.5
109.06504	6.2
109.10131	2.2
119.08544	2.5
121.10140	10.3
123.08047	3.2
123.11716	3.0
125.53031	1.7
127.03930	3.6
133.10104	2.5
135.08087	2.3
137.09642	10.1
145.04927	3.8
145.31393	1.6
147.11772	1.5
149.09610	12.1
149.13258	5.2
151.11180	13.7
152.11507	1.9
165.12759	45.1
166.13123	1.6
173.13295	1.9
178.79214	1.6
191.14334	11.5
209.15379	100.0
210.15739	4.9
339.00171	1.5
371.16620	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03949	2.2
55.05507	4.1
61.02924	2.5
66.76892	1.6
67.05495	7.2
69.03424	6.2
69.07053	5.2
70.06593	3.3
71.04997	3.9
79.05499	3.9
81.03416	2.6
81.07056	6.3
83.04963	4.4
85.02911	14.7
85.06543	2.2
86.09703	2.8
87.73630	1.5
91.05492	5.4
93.07063	11.5
95.04986	1.9
95.08613	56.5
96.08965	1.9
97.02897	4.8
97.06526	10.8
99.04460	3.0
99.08106	3.1
99.64372	1.6
101.06020	2.6
105.07034	11.9
106.76009	1.8
107.04879	1.8
107.08629	13.0
109.02882	2.5
109.06506	1.7
109.10169	6.3
111.04480	2.0
111.08071	1.7
115.07542	2.1
116.58275	1.6
117.06996	1.8
119.08601	6.6
120.01198	2.2
121.06494	2.8
121.10149	12.8
123.08020	2.2
123.11703	1.8
125.09678	1.9
127.03925	2.8
131.08578	8.1
133.10136	100.0
134.10440	3.5
135.08041	5.1
135.11699	2.8
143.08556	3.2
145.04958	5.1
145.10147	6.1
147.11694	6.1
149.09639	3.3
149.13275	5.3
151.11208	16.7
153.01839	3.7
158.10963	5.6
163.14839	6.0
167.06960	2.1
173.13275	34.4
191.14310	37.5
192.14644	3.4
209.15414	7.5
338.75546	2.1
371.16458	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01412	13.7
55.05529	13.5
60.12265	12.6
63.98947	12.1
69.03446	22.8
69.08639	34.3
69.09043	80.2
70.06587	41.0
71.04995	28.9
71.64001	13.4
72.08144	26.9
81.07009	15.7
83.04983	16.7
95.04980	29.6
95.08634	19.6
107.08620	16.3
109.10181	14.0
113.06060	19.4
121.10149	22.9
133.10124	16.0
135.11676	14.3
151.11189	32.0
186.00743	14.5
191.14406	31.6
191.16086	13.8
209.15404	22.2
371.14398	100.0
371.26349	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05507	4.1
61.02924	2.5
66.76892	1.6
67.05495	7.2
69.03424	6.2
69.07053	5.2
70.06593	3.3
71.04997	3.9
79.05499	3.9
81.03416	2.6
81.07056	6.3
83.04963	4.4
85.02911	14.7
85.06543	2.2
86.09703	2.8
87.73630	1.5
91.05492	5.4
93.07063	11.5
95.04986	1.9
95.08613	56.5
96.08965	1.9
97.02897	4.8
97.06526	10.8
99.04460	3.0
99.08106	3.1
99.64372	1.6
101.06020	2.6
105.07034	11.9
106.76009	1.8
107.04879	1.8
107.08629	13.0
109.02882	2.5
109.06506	1.7
109.10169	6.3
111.04480	2.0
111.08071	1.7
115.07542	2.1
116.58275	1.6
117.06996	1.8
119.08601	6.6
120.01198	2.2
121.06494	2.8
121.10149	12.8
123.08020	2.2
123.11703	1.8
125.09678	1.9
127.03925	2.8
131.08578	8.1
133.10136	100.0
134.10440	3.5
135.08041	5.1
135.11699	2.8
143.08556	3.2
145.04958	5.1
145.10147	6.1
147.11694	6.1
149.09639	3.3
149.13275	5.3
151.11208	16.7
153.01839	3.7
158.10963	5.6
163.14839	6.0
167.06960	2.1
173.13275	34.4
191.14310	37.5
192.14644	3.4
209.15414	7.5
338.75546	2.1
371.16458	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86943	0.8
70.06615	1.0
70.54157	0.7
70.54491	1.6
73.04742	1.1
79.05509	1.5
81.70499	0.7
82.06593	1.0
84.04526	0.7
86.09702	2.5
89.03909	5.8
90.38194	0.7
91.05827	1.0
105.07032	1.8
107.04967	1.7
114.14728	0.7
117.03390	9.6
122.09679	1.6
130.05011	0.8
135.04436	20.0
143.69635	0.7
145.02875	11.7
147.07687	0.8
163.03917	100.0
164.04237	3.9
181.05086	0.8
215.03833	0.8
219.02888	1.0
246.09631	0.7
247.02303	1.4
248.02672	1.0
303.92679	1.0
355.02713	0.8
355.06546	2.6
356.06827	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	372.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07845	0.3
59.38831	0.3
59.77703	0.3
66.78863	0.3
69.03450	0.3
71.10460	0.4
79.05485	0.8
83.01331	0.5
84.08158	0.7
88.64812	0.3
89.03918	4.1
91.05447	0.4
107.04951	1.8
117.03382	7.1
135.04427	14.5
136.18855	0.4
145.02847	10.0
145.03993	0.6
163.03909	100.0
164.04245	3.3
199.03902	0.4
203.05258	0.8
210.14804	0.5
280.26175	0.3
355.06601	10.0
356.07034	0.8
372.17044	1.6
373.10880	0.7
373.18347	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1806
Annotation	(-)-cis-Xylopinine N-oxide
Peak:m/z	Relative Intensity
51.02371	0.9
53.03954	2.8
55.01863	1.7
67.05506	0.5
69.07068	2.3
69.20109	1.6
69.20533	1.4
73.29593	0.4
73.80027	0.4
74.25746	0.4
75.94218	0.3
77.03923	0.7
79.05497	2.3
80.04995	0.5
81.03434	0.6
91.05479	14.3
93.07041	20.2
93.22029	0.5
94.07391	0.4
95.04954	4.4
96.04435	0.4
97.06525	10.1
103.04787	0.9
103.05466	15.1
104.05835	0.7
105.04536	2.5
105.06989	1.1
107.04948	5.1
108.04466	1.3
109.02866	4.4
111.04451	0.6
112.07584	0.4
119.08621	1.0
120.05694	0.6
121.06503	100.0
122.06851	3.2
123.04404	0.5
124.03971	1.2
126.03133	3.3
126.05492	0.9
129.06985	1.0
136.03905	0.8
139.03867	0.9
140.07051	1.2
141.04175	0.6
141.05428	1.1
147.08054	1.6
148.03960	0.6
152.07094	0.7
153.01843	0.8
153.04195	4.0
154.04971	3.2
155.05774	4.2
156.06544	6.0
160.03926	1.6
160.05209	1.5
162.05548	0.6
163.02835	0.4
168.06563	79.0
169.06924	2.6
175.07556	3.2
192.06511	0.7
199.06354	0.5
202.08675	4.5
204.06503	0.4
207.10187	0.6
216.10390	0.8
234.11258	5.2
252.12286	6.0
274.10739	5.1
275.11542	5.6
276.12277	3.1
280.09683	0.6
286.19922	0.5
294.15399	0.5
312.30667	0.5
322.14194	1.1
354.16946	3.1
372.18042	89.5
373.18588	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	372.1807
Annotation	(-)-cis-Xylopinine N-oxide
Peak:m/z	Relative Intensity
52.06072	0.5
52.65229	0.5
53.03935	1.9
55.01874	3.1
55.05497	0.5
57.07068	0.5
59.36201	0.5
67.05513	0.9
69.07053	1.2
69.79713	2.1
71.04955	0.6
79.05495	1.5
81.03420	0.6
81.07056	0.6
86.09726	0.6
91.05482	8.1
93.07047	11.1
95.04958	2.4
97.06538	3.5
98.22734	0.5
98.88945	0.6
103.05479	8.0
105.04537	0.9
105.07031	2.9
107.04969	11.5
107.08630	0.7
108.04462	1.7
109.02880	6.4
112.07645	0.8
119.04942	0.6
119.08569	1.7
120.55127	0.5
121.06514	60.2
122.06831	2.1
123.04350	0.9
125.04716	0.7
126.03139	4.6
128.06265	0.7
129.07013	4.3
129.54218	0.6
130.07314	0.8
131.08533	0.6
136.03844	0.6
137.73994	0.5
138.05498	1.6
139.03854	0.7
140.07050	1.5
141.04321	0.7
141.05371	2.5
145.06540	0.6
146.07054	0.5
147.08054	3.7
148.03954	0.9
151.05029	0.9
152.03432	0.6
152.07010	0.9
153.04227	5.3
154.04994	2.1
155.05794	1.8
156.06544	2.0
157.06462	0.7
157.35019	0.6
160.04015	0.8
160.05214	4.8
168.06570	100.0
169.06903	2.7
175.07568	12.6
176.06985	0.6
180.06548	0.7
194.11746	1.8
194.48685	0.5
202.08586	1.7
206.11897	0.9
207.10283	1.2
218.11780	1.2
220.13385	0.9
234.11198	3.5
252.12343	2.2
271.24893	0.6
274.10730	7.3
275.11478	8.3
276.12241	1.5
295.45325	0.6
301.01938	1.0
302.02881	0.8
354.17081	2.6
354.97467	0.6
372.18073	78.9
373.18344	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	372.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59478	0.3
68.05025	0.4
69.03399	0.4
70.06593	100.0
71.06918	1.4
72.08168	0.3
74.06084	0.3
77.92094	0.3
80.21849	0.3
83.05024	0.3
84.04509	1.1
84.08151	0.7
86.09708	13.6
91.05492	0.6
95.04975	0.3
106.06591	0.6
111.73705	0.3
116.07088	1.6
120.06560	0.8
123.04442	0.4
128.10716	3.3
129.10201	0.4
130.04991	1.9
132.10152	0.3
147.07961	0.4
156.10165	0.5
159.29581	0.4
199.10793	3.7
217.11836	44.9
218.12143	1.6
242.15007	0.5
336.12161	0.4
354.19742	0.3
372.17273	5.1
372.27042	0.4
373.18298	1.9
373.25351	0.3
375.56903	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	372.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	7.7
67.05514	1.7
69.07076	2.9
69.37900	6.8
70.06599	26.3
71.08617	4.0
81.07050	2.2
83.08606	1.6
85.10201	1.7
87.04487	9.5
88.07637	100.0
89.07980	1.2
94.43686	1.1
95.08604	3.9
106.08677	24.3
133.10062	1.0
153.47469	1.1
183.39616	1.0
249.89989	1.2
311.29446	28.5
312.29489	2.3
312.42328	1.1
355.28589	1.3
372.34787	29.9
373.25641	1.2
373.34937	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	373.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41001	1.7
58.06611	2.6
61.00337	1.8
67.97374	1.6
68.05008	2.0
69.26579	11.0
72.08167	9.7
84.08147	22.0
86.06071	23.3
94.02945	2.0
94.93021	100.0
96.92829	63.1
96.93459	2.8
109.91730	9.6
111.91509	4.0
117.79420	1.8
129.10193	2.4
130.08649	3.8
140.07071	6.1
148.65843	1.9
148.88046	2.7
150.87874	4.5
151.68369	1.7
158.08138	4.9
168.06546	2.6
176.87547	6.3
204.87044	67.4
205.87340	2.0
206.86853	91.6
212.85242	2.3
217.79524	2.1
245.14986	3.6
245.95430	3.1
286.88858	3.7
319.91763	2.7
352.04330	2.1
373.02957	19.8
373.24536	45.8
373.89139	3.0
374.02713	2.4
374.24411	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	373.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02421	6.7
69.82256	8.4
84.08180	7.3
88.85000	7.2
89.03924	12.9
97.55412	7.1
117.03389	19.9
135.04411	30.9
145.02863	9.9
163.03908	100.0
164.04268	15.0
168.88638	7.7
177.72795	8.4
181.64833	7.6
208.38391	6.8
270.26810	7.1
307.99799	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	373.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99211	1.2
53.03952	3.5
54.69806	1.5
55.05511	1.3
56.05038	1.8
57.03446	1.8
67.35733	1.3
69.07067	2.4
70.06596	16.9
71.18460	2.7
72.08163	7.1
73.02931	1.8
79.05490	2.1
83.06109	6.2
84.04501	7.9
84.08135	8.3
85.02910	3.9
86.09707	32.4
91.05479	1.6
95.01350	2.9
95.04975	4.2
95.74228	1.3
105.03392	100.0
106.03775	3.0
107.93771	1.3
113.02380	1.7
119.00488	1.2
120.60007	1.5
121.10136	1.3
123.04448	5.7
129.06631	3.7
129.10266	4.1
130.05025	2.5
132.10178	2.6
137.06009	3.3
140.32495	1.6
141.01842	5.3
141.10201	2.4
153.38745	1.5
157.13377	2.5
169.13290	1.6
171.11203	1.3
179.07040	27.2
179.08499	2.4
182.15466	1.6
185.12901	3.8
185.16385	1.5
189.12315	2.5
196.14452	4.2
197.08090	7.7
197.12857	3.5
199.18077	2.3
201.05464	2.4
214.15546	2.4
273.66058	1.7
302.14981	5.0
373.18585	6.9
377.32553	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	373.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.05515	4.4
57.03433	2.5
57.68608	2.0
71.20327	2.7
79.05499	8.0
84.08150	2.6
85.02911	3.8
88.04016	2.6
89.03935	2.2
95.04981	3.3
97.02989	2.6
100.07628	4.7
100.11267	6.1
101.11639	2.8
105.03392	100.0
111.04469	3.2
111.17451	2.1
117.03391	6.8
123.04447	7.4
127.03874	2.3
128.07088	5.8
137.05978	4.2
138.02240	2.2
141.01817	4.3
145.02840	16.7
149.05980	4.3
175.07541	2.7
177.05484	27.5
179.07053	37.9
182.15401	5.2
183.15738	6.8
195.06500	10.2
197.08131	6.8
199.80127	2.1
210.14911	7.9
211.15271	9.5
255.17644	2.2
275.92981	2.1
325.10355	2.2
338.21606	6.3
355.24173	4.3
356.24414	3.1
372.26938	3.9
373.14401	7.1
373.18420	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1132
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.23111	1.4
53.03952	3.2
55.05513	2.7
57.03448	3.4
60.08850	1.6
63.55582	1.4
66.17480	1.5
71.30853	3.1
79.05499	7.4
81.03426	2.2
81.07063	1.6
81.25145	1.9
84.08136	3.0
85.02907	7.7
86.09715	1.8
89.03927	2.4
91.05511	2.6
95.01360	3.2
95.04959	3.5
100.07645	3.2
100.11262	6.8
101.11600	3.1
105.03397	100.0
109.02886	2.4
111.04468	5.7
113.41443	1.7
117.03407	5.1
123.04471	8.1
128.07089	4.1
133.02940	1.8
137.06024	5.9
138.02267	3.6
141.01857	4.1
145.02849	14.5
148.27560	1.8
149.06033	4.3
154.00894	1.7
161.05995	3.5
175.07608	3.1
177.05487	28.4
179.07059	34.6
182.15466	5.1
183.15822	4.5
195.06532	11.6
197.08177	7.0
210.14970	4.6
211.15260	10.3
212.15332	2.2
225.09131	1.9
228.17914	3.0
253.08597	2.6
267.31448	1.9
303.59799	1.7
338.21609	4.1
355.24304	4.4
356.24780	2.7
372.26895	3.3
373.14276	6.5
373.18436	60.3
374.18903	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	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01871	3.0
55.97742	1.6
65.14257	1.6
67.05498	2.1
69.10487	5.2
69.10899	9.7
79.05495	3.5
80.59754	1.8
81.07079	2.0
85.59795	1.7
86.09696	3.3
91.05489	11.2
93.07069	2.8
93.40607	1.7
93.63780	1.6
94.04196	4.5
95.04964	2.9
103.05453	5.3
105.07037	3.5
107.04944	3.2
109.06541	1.7
115.05454	5.9
115.54202	1.6
119.04955	11.3
121.06479	5.1
122.03642	10.6
123.04444	3.9
128.91530	1.7
130.04253	2.3
131.04909	3.8
133.06520	3.3
135.04424	4.2
137.05978	99.0
138.06302	2.7
143.04904	4.2
145.02815	3.9
145.06491	7.1
147.04388	9.3
149.05959	7.1
150.06752	3.8
150.09181	2.2
151.03931	2.9
158.03670	3.1
159.04350	2.0
161.06003	5.9
162.05568	2.2
162.06709	9.6
165.05450	2.3
165.07024	1.9
173.05965	13.8
174.36932	1.7
175.03969	2.6
175.07587	3.2
177.05489	7.2
178.05838	1.7
178.07596	1.6
179.06961	3.8
180.07867	2.5
186.03183	3.6
189.05423	2.2
192.07964	1.8
193.05017	2.8
194.07294	2.5
201.05464	44.6
202.05885	2.7
203.05338	2.9
203.07031	4.2
204.04140	3.1
205.06465	5.6
205.08337	1.8
206.07329	3.1
207.06528	6.7
219.06470	15.4
219.08080	2.0
221.05980	3.9
222.06834	6.2
222.11314	4.5
223.07402	2.7
225.08928	2.2
231.06531	4.9
233.05975	4.2
234.06744	5.0
235.07611	2.5
236.04672	2.0
237.09157	5.8
249.09181	2.6
250.06267	3.6
251.07014	2.2
262.06308	2.9
265.08621	10.9
266.09384	3.2
273.09515	2.2
277.05505	1.8
277.08603	4.7
278.05811	2.2
279.06622	2.2
283.09784	2.8
292.07489	3.2
293.08087	10.3
295.09744	2.0
297.11285	2.6
299.13675	2.2
305.08020	4.3
307.09683	10.5
308.10229	2.5
309.11377	2.6
311.09256	3.4
322.08356	2.2
323.09430	2.8
325.10681	24.4
337.10754	6.8
343.11853	4.9
355.11758	6.9
373.14441	4.4
373.18362	100.0
374.18704	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	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.2
51.02359	0.5
53.00319	0.2
55.01873	0.2
65.03938	0.1
68.99792	0.2
69.03434	0.3
69.17724	0.9
74.28973	0.1
77.13822	0.1
79.01854	4.8
79.05505	0.2
80.02197	0.1
87.00862	0.1
91.05489	0.9
92.04477	0.1
93.07043	0.1
97.02889	1.0
103.05462	0.4
104.06263	0.3
105.07059	0.2
107.01299	0.9
107.04948	0.2
108.34610	0.1
108.38442	0.1
109.02885	0.4
111.04452	0.2
115.05450	2.2
117.07012	0.8
119.08608	0.3
121.38261	0.1
123.00810	0.3
125.02356	2.5
127.03878	0.1
127.55991	0.1
128.06226	8.3
129.06528	0.3
131.04947	0.4
132.05717	1.0
133.06465	0.2
137.06004	0.3
141.06999	0.4
142.07779	0.1
143.03404	5.8
143.08565	10.8
144.03740	0.3
144.08891	0.5
145.06461	0.6
147.04431	0.5
147.08022	0.7
151.03912	0.5
151.07558	0.3
152.06166	0.3
153.01833	100.0
153.02882	5.2
154.02164	3.0
154.03297	0.2
155.06049	0.6
159.08041	0.2
160.05183	2.4
161.05757	0.2
162.06790	0.2
165.05421	0.1
171.08057	11.8
172.08376	0.6
173.05978	0.3
174.06783	0.4
175.07550	21.1
176.07912	1.1
177.09117	3.4
179.07002	0.2
180.07788	0.3
185.04262	0.1
188.08345	0.7
195.10027	0.1
203.05350	0.1
203.10689	3.9
204.10951	0.2
221.11649	0.7
343.11700	0.7
355.11334	0.1
373.12747	0.7
373.18179	1.7
373.26886	0.2
374.18546	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	373.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01936	7.2
54.55022	6.1
55.05518	7.2
58.86936	6.1
69.03444	5.9
69.50193	23.4
79.05479	8.3
81.03396	6.6
81.07061	11.9
86.09711	8.1
91.05490	13.2
93.07048	22.1
96.07285	5.8
97.02965	6.3
97.06520	15.7
98.23324	11.9
98.97604	11.0
103.05490	12.9
105.07012	10.2
107.08572	7.3
109.02975	6.0
121.06510	100.0
122.06835	36.9
128.06210	8.4
128.98604	10.3
147.08078	6.7
153.01837	96.5
168.06569	46.9
169.06877	26.8
171.08031	10.9
175.07549	25.8
219.01823	6.8
237.02913	14.1
239.95319	6.0
276.12003	7.6
327.12326	7.2
342.27975	6.8
373.16440	98.9
373.23410	10.4
373.25815	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94223	0.4
55.05527	0.4
57.03434	0.6
61.02921	0.4
69.03418	0.6
69.14674	2.4
70.06587	1.1
72.08161	0.7
79.05488	0.6
84.08139	1.6
85.02914	2.7
86.09694	2.3
89.03904	0.8
91.05477	1.8
93.07084	0.5
95.04994	0.6
97.02880	0.7
105.03394	3.2
109.02880	0.8
117.03416	2.5
119.04951	3.6
127.03915	0.8
129.10167	0.6
135.04396	0.6
145.02850	6.7
145.04848	0.4
147.04413	12.0
147.05603	0.6
149.05983	1.6
163.03911	0.5
177.05470	15.9
179.07066	1.0
185.16481	0.4
193.12108	0.8
195.06546	6.1
203.05275	4.7
211.12994	0.6
218.15610	0.4
268.00385	0.4
373.18323	100.0
374.18661	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	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
50.90356	0.3
51.30509	0.4
57.75724	0.3
68.82619	0.3
71.10835	0.4
84.08154	2.2
86.09700	0.9
98.00150	0.4
98.23476	0.5
105.03420	0.8
129.10255	1.0
135.04420	0.4
136.04770	0.4
163.03870	2.1
164.04216	3.0
193.12083	0.9
203.05293	4.6
211.13098	0.7
301.57718	0.4
314.93130	0.4
373.18347	100.0
374.18680	8.7
390.07947	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	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05511	0.5
56.05036	0.5
69.07068	0.9
70.06598	5.7
72.08155	1.8
79.05484	0.7
81.07047	0.9
83.04985	0.5
83.06109	3.5
84.04511	5.8
84.08148	2.7
86.09709	13.8
91.05495	1.3
93.07034	0.9
96.74603	0.4
101.07185	1.1
105.03414	0.5
105.07021	0.7
107.04950	2.4
107.08585	0.9
109.06500	0.6
121.06536	0.4
121.10146	0.6
123.04409	1.3
124.03963	1.3
129.06577	2.7
129.10214	1.9
130.05009	1.8
132.10179	2.0
141.10245	0.6
147.07689	1.2
148.06102	0.5
157.13419	0.6
161.12877	0.8
163.11169	1.8
177.05527	0.6
191.10703	1.0
196.14499	1.9
197.12840	1.2
201.05501	1.0
203.13870	0.5
209.11852	0.5
211.13092	0.8
214.15489	0.9
222.11446	0.4
227.12718	0.9
242.14857	0.5
254.36438	0.5
268.08118	1.4
302.14932	1.0
343.17200	3.8
355.23352	1.2
373.18338	100.0
374.18802	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94223	0.4
55.05527	0.4
57.03434	0.6
61.02921	0.4
69.03418	0.6
69.14674	2.4
70.06587	1.1
72.08161	0.7
79.05488	0.6
84.08139	1.6
85.02914	2.7
86.09694	2.3
89.03904	0.8
91.05477	1.8
93.07084	0.5
95.04994	0.6
97.02880	0.7
105.03394	3.2
109.02880	0.8
117.03416	2.5
119.04951	3.6
127.03915	0.8
129.10167	0.6
135.04396	0.6
145.02850	6.7
145.04848	0.4
147.04413	12.0
147.05603	0.6
149.05983	1.6
163.03911	0.5
177.05470	15.9
179.07066	1.0
185.16481	0.4
193.12108	0.8
195.06546	6.1
203.05275	4.7
211.12994	0.6
218.15610	0.4
268.00385	0.4
373.18323	100.0
374.18661	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	373.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36424	0.4
55.05504	0.4
55.81845	0.5
60.84500	0.4
65.03940	0.7
67.05492	1.5
69.07079	0.6
70.86858	0.5
71.04979	0.5
78.04740	0.5
79.05492	1.6
80.06261	0.7
81.07068	0.8
83.04969	0.5
86.09721	0.7
91.05478	5.5
93.07040	1.4
95.04980	0.5
95.08606	0.7
103.05463	1.2
105.03458	0.6
105.07027	1.5
106.04187	0.6
107.04954	7.3
107.08595	0.8
108.05758	3.7
109.06553	1.2
109.10155	1.0
115.05374	0.6
117.07019	1.0
118.04193	0.6
119.08599	0.6
121.06516	3.2
123.08069	0.5
129.06984	0.5
131.04933	1.5
133.06471	1.4
135.04424	3.6
135.08072	1.8
136.05209	6.3
137.06017	3.7
138.06752	0.6
145.06467	1.8
146.07259	1.8
147.08063	4.2
149.06012	0.6
150.06740	2.2
151.07549	100.0
152.07875	4.2
153.09090	0.5
159.08049	0.7
160.08797	1.0
161.06035	0.7
161.09628	0.7
162.06789	0.9
163.07584	3.6
164.08322	0.5
165.09106	6.4
173.06026	0.5
175.07550	1.3
176.08302	1.4
177.09131	8.1
179.10695	1.4
186.10449	0.7
188.08308	1.0
189.09087	1.8
191.10663	2.8
203.10695	1.9
215.68573	0.5
217.12236	1.7
228.13631	0.5
334.27109	0.4
340.12549	0.8
340.16718	14.1
341.16937	1.3
355.19095	3.0
373.15744	0.5
373.19760	6.8
374.19949	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42415	4.8
68.98404	11.5
68.98794	45.0
69.07071	9.1
70.06589	5.7
79.05494	6.1
81.07064	17.3
83.04970	4.6
84.08150	9.8
85.02901	11.6
86.09713	18.1
91.05479	13.2
93.07043	12.3
95.08598	26.1
98.22615	7.8
103.05471	6.5
104.54574	4.7
105.07028	14.4
107.08581	19.6
109.10116	9.8
112.85308	5.5
119.08572	58.0
121.06535	15.5
123.11662	5.7
133.10138	100.0
135.11697	31.4
145.10339	5.4
147.11699	7.5
152.08458	5.4
167.07152	5.3
175.14806	93.1
176.15149	7.0
183.11284	5.0
193.15897	20.1
211.16959	20.5
258.51913	5.4
341.13651	7.2
355.59476	6.2
373.13416	10.4
373.18057	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	374.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.6
77.49314	3.2
91.05495	19.2
98.23458	8.2
103.96271	3.6
106.89488	3.6
107.97250	3.7
119.04945	36.1
141.36595	3.1
141.49590	3.5
147.04408	100.0
148.04730	5.4
199.17920	4.2
228.97092	3.3
256.80441	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	374.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65816	1.5
55.97003	1.4
57.03438	1.5
61.02943	2.9
64.54742	1.6
69.03433	3.0
72.08144	1.8
81.03391	1.6
85.02919	14.4
89.03936	4.5
90.35567	1.5
91.05491	14.2
96.70452	1.7
97.02895	4.7
104.73679	2.0
110.07150	2.8
111.12050	1.8
117.03381	17.4
119.04948	23.5
127.03878	1.6
127.05594	1.7
145.02852	44.1
145.04857	3.7
147.04417	84.0
148.04826	2.2
149.06009	4.6
153.01872	1.9
163.03920	1.9
177.05479	100.0
178.05844	3.7
180.08714	1.6
195.06538	41.4
374.18771	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04082	0.7
61.02916	2.2
61.51951	0.7
69.03426	3.3
69.45464	0.7
72.08146	0.9
73.95685	0.7
81.03411	2.3
85.02907	15.2
86.09695	1.5
89.03915	5.8
91.03933	1.2
97.02906	4.7
99.04485	0.9
100.94069	0.8
106.06328	0.8
109.02853	1.2
117.03368	16.4
119.04936	0.9
127.03918	1.4
134.03598	0.8
135.04456	1.5
145.02846	41.8
145.04932	2.9
146.03221	0.9
147.04346	0.7
149.05989	7.0
153.05540	0.9
159.01791	0.7
162.03177	0.9
163.03922	2.8
177.05470	100.0
178.04526	0.9
178.05782	4.7
180.08694	1.2
185.50734	0.7
195.06531	43.2
196.06854	2.2
286.42566	0.9
362.84839	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19325	3.9
55.05510	7.3
56.17029	4.0
69.06400	34.3
70.06572	4.6
72.08154	79.0
81.07088	7.9
84.04496	29.8
84.08138	37.7
85.02927	4.5
85.61673	4.8
86.09711	92.0
87.10060	6.5
91.05539	4.6
93.07069	5.3
104.12193	5.1
109.06509	6.2
117.03371	15.6
123.04443	42.1
129.10251	30.6
135.04445	6.1
137.05991	8.8
144.06558	20.0
145.02829	52.2
147.04411	7.1
149.05972	11.7
149.09712	4.1
150.09148	45.2
151.03896	10.3
156.07774	4.5
162.07617	39.3
163.03914	13.4
174.26103	5.3
175.07584	16.2
175.94864	4.7
177.05487	100.0
177.09129	14.0
178.05730	7.2
185.16481	31.7
195.06497	32.9
202.08557	5.3
204.10220	19.0
213.15944	12.2
217.08635	6.1
222.11249	75.3
234.11368	4.9
275.16113	7.4
285.07669	5.6
339.12201	8.4
356.14890	14.5
374.19302	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00350	1.7
57.03428	1.8
61.02934	2.8
62.88433	1.6
69.03440	4.0
69.07067	5.1
70.06599	3.2
70.58743	2.7
70.59075	3.3
72.08157	9.2
84.04506	6.8
84.08150	4.8
85.02918	11.7
85.04861	2.6
86.06072	17.9
86.09706	100.0
87.10041	4.4
89.03963	3.0
91.04020	1.9
97.02890	4.7
117.03392	8.5
129.10258	4.4
130.03316	1.7
130.05034	3.6
132.81236	1.8
133.84085	1.8
134.03630	1.7
138.09203	1.9
144.06598	6.3
145.02849	28.9
145.05028	2.5
146.03253	2.2
147.04349	3.3
147.07603	1.9
148.06055	6.3
149.06027	5.5
153.01857	6.1
161.09239	7.0
161.12900	2.0
163.03920	2.0
177.05464	84.0
178.05869	3.6
187.14604	2.3
195.06523	32.2
195.08182	2.6
199.18050	23.8
200.13977	3.0
201.01436	1.7
227.17513	9.7
233.11337	5.2
243.10966	2.2
261.14435	4.7
287.01810	3.1
315.01340	2.8
322.66531	1.7
329.09940	2.0
357.02405	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70710	0.8
53.03933	2.1
55.01877	3.1
57.03444	2.4
61.02929	3.6
63.99628	0.7
65.03946	3.2
65.76376	0.8
68.99783	0.9
69.03431	13.5
71.05019	1.8
73.02930	2.6
75.55493	0.9
81.03424	12.5
82.27280	0.8
85.02909	45.6
86.03207	0.8
86.09705	1.5
87.00837	18.8
91.05484	100.0
92.05836	3.5
97.02900	14.8
98.03198	1.0
99.04450	7.2
103.03923	1.2
105.01871	29.0
105.02569	1.7
105.07022	1.6
108.04523	2.7
109.02876	12.8
117.01881	1.8
126.05566	1.1
127.03922	32.0
129.01865	2.9
129.07019	1.7
133.06531	1.1
145.04961	16.0
145.06219	1.2
145.06494	0.9
155.96286	0.8
157.06537	1.3
159.02911	6.9
171.02815	0.9
171.08141	1.4
175.07527	1.6
181.06566	0.9
189.03960	2.2
195.06567	1.2
199.07558	1.4
213.04015	1.2
216.39006	0.9
231.05025	9.0
248.07611	0.9
249.06099	1.4
360.62231	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	374.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	10.0
69.30711	3.4
69.31133	5.5
70.06597	22.3
71.08646	3.4
74.94302	1.3
80.94836	1.8
82.85219	1.6
84.08138	1.5
85.10185	1.8
88.07639	19.5
96.64472	1.4
98.22657	1.4
106.08691	3.4
114.09170	5.5
118.08657	1.8
129.09157	1.5
132.10213	27.9
147.68163	1.7
150.11263	19.0
152.67819	1.4
162.01318	1.4
178.36719	1.3
289.34134	1.6
315.15799	3.1
330.33707	5.2
333.17316	2.3
358.95908	1.4
374.36295	100.0
375.17920	2.0
375.36542	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.069
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06605	94.2
71.28572	15.4
72.08162	58.4
84.04536	20.4
84.08169	82.1
86.06083	37.6
86.09726	24.0
94.93019	33.6
109.07654	24.6
110.07977	16.9
115.08680	17.5
116.07137	23.4
121.17776	14.1
129.10242	39.5
130.08611	17.5
133.68669	13.4
147.11319	31.3
163.90535	16.1
175.11925	19.4
204.87164	17.1
212.10239	25.2
212.85310	71.4
213.10590	20.7
243.27657	14.4
254.86140	32.6
254.97595	23.0
374.90536	17.1
375.02734	26.0
375.06775	100.0
375.10913	17.4
375.19321	28.5
375.23209	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	375.0711
Annotation	Melinervin
Peak:m/z	Relative Intensity
51.95094	0.3
55.97546	0.2
62.05248	0.3
71.21803	0.4
97.40909	0.2
115.05392	0.5
125.30781	0.2
128.06146	0.5
155.04857	0.4
156.05637	0.4
159.04359	0.4
161.02315	0.6
171.04364	1.5
172.05051	0.3
173.02278	0.6
173.05917	0.7
175.03859	0.3
184.05130	0.9
187.03909	1.5
189.01796	0.5
189.05321	0.3
190.02553	0.6
199.03888	1.9
200.00952	0.4
200.04578	0.3
201.01852	0.3
201.05418	0.8
202.02501	0.4
202.06139	0.4
203.03316	0.5
204.04213	0.4
205.04881	0.8
212.04716	0.8
213.01706	0.3
214.99702	0.3
215.03372	4.2
216.03867	0.5
217.05025	0.4
218.02116	1.6
225.01750	0.8
227.03412	2.2
228.03920	0.4
229.01253	0.3
229.04930	0.6
230.05664	2.0
231.02826	0.6
233.04459	0.9
240.04018	0.4
241.01265	0.8
241.38609	0.3
242.05812	0.4
243.02913	6.5
244.03493	0.4
245.04498	1.9
246.01593	2.0
246.05061	0.3
247.02321	0.3
253.01222	0.9
254.01921	0.3
255.02818	1.0
256.00018	0.4
257.00842	1.3
257.04443	1.4
258.01315	0.4
258.05240	3.3
259.02435	0.7
259.05743	0.7
261.03961	5.7
268.03482	0.3
269.00888	0.3
269.04321	0.4
270.01852	0.6
270.05005	0.5
271.02374	10.4
272.02805	0.8
273.04059	1.8
274.01059	2.5
274.04056	0.4
281.00854	0.4
282.01846	0.3
283.02322	1.0
283.99582	0.3
285.00272	0.8
285.03806	1.2
285.06946	0.5
286.01068	0.8
286.04691	2.5
287.01852	1.1
287.05176	0.6
288.06177	0.5
289.03418	3.1
296.03220	0.5
298.01019	0.7
299.01877	4.4
300.02432	0.9
301.03430	2.4
302.00568	14.7
303.01328	2.0
303.04712	0.5
303.08551	0.4
304.05829	0.4
311.01852	0.6
312.02536	0.6
312.99854	0.6
313.03403	0.6
313.09540	0.3
314.00705	0.5
314.04141	2.4
315.01358	0.8
315.04788	0.4
316.02112	1.0
316.05826	0.7
317.02911	11.2
318.03314	1.0
319.04401	0.5
326.04263	0.7
327.01355	0.9
328.02054	0.4
328.99060	0.5
329.02835	3.4
330.00058	4.9
330.03528	0.4
331.00732	1.4
331.04501	0.9
342.03717	19.8
343.04471	1.4
344.01611	0.5
344.05261	2.3
345.02420	18.9
346.02890	1.8
352.15308	0.4
359.03876	2.5
360.04761	48.5
361.05124	3.4
370.16238	0.4
375.07114	100.0
376.03049	0.5
376.07455	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	375.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71169	1.2
65.03944	2.8
66.87721	1.3
67.05508	2.4
68.99162	8.5
68.99564	2.5
70.06562	2.1
72.08116	1.3
73.33238	1.3
74.06085	1.3
79.05487	2.0
81.03406	2.8
81.07055	2.2
86.09689	2.6
91.05482	15.9
92.72684	1.4
93.07043	1.6
95.08578	2.0
98.23407	2.3
105.07011	1.4
107.08604	1.8
119.04943	24.3
123.04434	3.9
130.06526	3.7
131.08539	1.6
142.35983	1.2
147.04408	57.0
148.04749	2.1
162.05515	3.4
162.50069	1.4
169.02612	40.7
170.02922	2.3
181.06502	1.4
187.03697	3.6
201.06664	2.9
221.15335	1.8
229.06834	100.0
230.07196	3.2
277.21606	1.6
281.04526	7.2
305.87961	1.4
332.58331	1.3
333.07816	1.8
334.40424	1.3
357.13293	3.1
375.10419	12.4
375.23209	2.2
376.12656	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	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63414	0.2
51.88238	0.2
54.13203	0.2
55.01870	1.4
56.05030	1.0
60.17379	0.2
62.06091	0.3
68.05019	0.2
70.06581	0.5
71.06331	0.2
71.06678	0.5
72.08155	1.2
72.18440	0.2
73.02904	0.9
74.06097	0.2
74.40456	0.2
81.04530	0.6
82.05308	0.4
83.05631	0.4
83.06108	6.6
83.32394	0.2
84.04479	0.5
84.08141	0.5
86.09714	3.1
93.04524	5.3
95.06089	2.7
101.02380	2.8
110.07166	100.0
111.05589	0.3
111.06850	0.4
111.07519	1.9
120.04485	0.5
129.10220	0.3
130.76006	0.2
132.04485	1.1
146.06036	0.9
146.07138	0.7
153.01805	0.5
156.07683	14.6
157.08028	0.4
161.09235	0.4
162.09602	0.3
164.08232	0.4
173.12874	0.5
174.05493	7.1
175.05864	0.5
192.07686	6.6
201.12245	0.3
202.04990	13.1
203.05344	0.7
208.93852	0.2
210.08736	27.4
211.09047	0.9
213.07414	0.4
220.06131	1.8
235.56654	0.2
238.08229	18.1
239.08537	0.8
343.01089	0.3
357.12015	1.0
375.12656	2.9
375.17038	0.4
375.23355	0.3
376.13132	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	375.1438
Annotation	Isohydroxymatairesinol
Peak:m/z	Relative Intensity
55.01884	11.1
57.68361	3.2
69.03423	4.6
69.09767	26.3
73.02921	98.4
79.05515	7.2
81.03432	3.7
81.07059	3.4
85.02888	3.7
91.05495	11.7
93.07028	3.8
95.05002	4.9
100.11278	3.7
103.05499	4.6
105.07047	11.3
107.04964	6.8
109.06550	5.4
109.10200	3.4
111.08128	3.7
113.36024	3.2
117.07029	5.1
119.04948	7.4
121.06547	11.1
122.03649	4.5
123.04452	4.5
131.04903	4.6
131.29489	3.7
133.06519	7.6
137.05977	76.2
138.06296	3.6
146.03667	7.0
147.04451	7.3
149.05966	25.1
149.07066	3.8
151.03905	19.5
151.07561	15.5
152.04434	3.6
152.06239	8.8
153.07014	5.2
161.05966	78.9
162.06624	5.4
163.07535	6.2
165.07039	15.1
167.07109	11.4
169.06424	4.2
175.07539	4.1
175.78015	3.4
177.05499	6.6
177.09096	39.5
181.06487	14.3
182.07289	6.3
185.13243	5.0
189.05580	3.7
191.04988	4.4
191.07051	11.9
193.06653	6.9
193.08646	18.4
194.07272	9.8
195.08205	5.8
196.05180	5.1
197.06039	11.3
203.07085	3.3
208.05188	6.7
209.05995	7.0
209.08057	7.6
210.06732	16.4
211.07542	12.7
212.08400	5.8
213.09093	10.8
213.12871	4.9
215.03406	3.5
221.05977	13.1
222.06749	9.0
223.07523	8.2
225.05540	14.1
225.09082	26.9
227.07133	4.2
233.08078	6.9
236.04720	6.1
237.05467	4.5
238.06276	9.4
239.06943	5.0
240.07748	11.5
241.08594	16.0
242.79883	3.3
251.07071	11.6
253.08615	100.0
254.09160	8.1
255.06635	6.2
258.08957	10.2
268.07327	11.1
269.08023	4.6
270.08841	39.5
273.11270	39.7
274.11273	3.4
279.06589	7.1
283.09717	5.3
284.10522	3.9
285.11234	56.9
286.11581	6.2
295.09830	6.1
297.11264	7.5
299.09131	20.5
300.06430	4.0
311.09161	43.4
315.08566	18.6
325.10767	30.8
327.12241	6.4
329.10263	4.3
339.12180	8.7
345.13220	23.2
357.13333	61.2
375.11060	5.9
375.14386	38.4
375.18936	4.3
375.24237	9.0
376.14670	4.4
376.25659	15.1
399.03552	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	375.1438
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
53.03943	2.7
53.06061	1.1
55.01873	5.4
60.70691	1.2
64.43305	1.0
65.03947	14.9
65.36498	0.9
67.05503	3.2
71.30652	1.9
71.69896	1.2
73.02921	29.5
79.05507	4.2
80.91323	1.2
81.07055	1.4
82.04223	2.4
85.02903	1.9
85.40694	1.1
89.03924	6.0
91.05480	5.9
93.03410	11.3
93.07063	1.8
95.01337	2.3
95.04981	5.0
97.06517	1.4
103.05484	5.3
105.03419	2.7
105.07055	1.3
107.04985	5.4
108.02072	1.5
109.06535	2.1
110.03671	14.2
111.04456	21.3
115.39701	1.1
117.03400	5.9
119.04990	3.3
121.06514	5.7
122.03667	2.1
123.04454	2.7
124.05193	1.8
125.06001	19.7
131.04971	2.4
133.02852	24.9
134.03650	1.6
135.04416	3.7
137.05983	17.3
138.03091	1.4
139.07565	2.5
140.04683	2.1
147.04428	2.0
149.06004	25.6
150.06763	5.8
151.03918	22.1
151.05017	2.1
151.07513	3.8
152.04358	1.1
153.05476	100.0
154.05826	3.5
155.07050	3.6
161.06012	1.3
163.07652	1.6
165.05519	9.0
167.07033	13.7
168.04355	1.4
177.09067	2.4
179.07016	2.7
181.04945	9.6
191.06902	1.6
193.08653	2.6
195.06516	1.9
197.06079	2.2
197.08069	3.2
199.07523	1.7
205.08638	12.3
211.07651	2.9
213.05444	2.6
221.06004	1.6
225.05588	1.8
225.07558	47.7
225.09677	2.4
226.06111	1.5
226.08049	2.3
227.07069	2.9
239.07024	2.4
240.07947	1.9
241.04906	1.9
241.08656	3.5
243.06416	2.2
253.08725	2.0
255.06439	1.7
257.04495	1.8
257.08112	1.5
260.10297	1.2
267.10373	2.4
269.04483	2.7
270.05200	2.8
270.08899	1.4
271.05685	1.3
271.09720	3.2
283.05988	2.8
284.10318	1.2
285.03900	1.7
285.11258	2.6
288.09885	2.8
295.09589	2.2
297.04062	2.1
298.04785	2.5
299.05411	1.6
299.12918	1.7
301.06967	1.8
303.12274	4.3
304.09409	1.6
311.05466	2.4
313.03485	1.6
314.04138	3.6
314.07852	6.1
315.05081	1.5
317.06720	1.5
327.12302	3.3
329.06503	17.1
329.10233	17.8
330.06876	1.5
331.08197	1.2
345.06226	1.7
345.13507	3.4
357.05954	2.6
357.13367	4.1
359.07660	2.3
360.08405	2.5
375.07016	3.1
375.10684	25.3
375.14597	8.0
375.19742	1.9
376.11203	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	375.144
Annotation	7'-hydroxymatairesinol
Peak:m/z	Relative Intensity
51.02388	1.9
51.84263	1.7
55.01871	15.0
61.22588	1.7
62.48483	1.8
63.71669	1.7
65.03954	1.6
69.18676	13.1
70.06590	1.9
73.02921	100.0
77.53661	1.8
79.05475	2.6
81.03409	2.7
85.02887	2.5
86.30245	1.9
89.03921	5.4
89.46490	1.5
91.05481	7.2
93.07024	2.8
94.04189	4.0
95.04951	2.1
98.22639	4.1
103.05482	4.8
105.03432	2.0
105.07040	5.5
107.04967	4.1
109.06498	2.7
111.04480	3.1
115.05466	1.7
117.03387	3.6
119.04990	3.8
121.06526	11.5
122.03660	7.4
122.06860	2.5
123.04411	3.1
125.06050	2.5
131.04945	3.2
133.01920	2.7
133.02864	24.2
133.06502	2.7
134.03638	2.2
135.04436	3.5
137.05986	91.8
138.06313	2.8
141.06953	1.8
143.04858	2.5
144.08070	2.7
146.03601	7.3
147.04408	4.6
149.05995	25.9
150.06775	2.9
151.03909	11.6
151.07547	7.7
152.06201	7.8
153.05496	4.7
153.07011	8.1
159.04449	2.6
161.05988	66.7
162.06531	3.7
163.03923	3.9
163.07535	2.5
165.05486	9.1
165.07001	14.4
167.07056	6.8
167.08525	4.0
169.06435	4.5
176.04646	2.3
177.05571	9.4
177.06874	2.0
178.05774	2.6
179.07051	3.7
179.08508	2.8
180.05693	7.9
181.04919	7.0
181.06508	16.5
182.07260	8.1
183.08066	2.2
187.07533	2.2
189.05493	6.3
191.05168	3.2
191.07036	16.7
191.08588	2.6
193.06487	7.1
194.07277	7.1
195.08029	9.9
196.05179	2.3
197.05959	11.0
197.09650	3.9
199.07529	3.0
203.07118	2.9
205.04857	3.3
205.06639	3.2
205.08551	2.9
208.05168	12.8
209.05988	7.4
209.08105	8.6
210.06754	15.6
211.07578	12.5
212.08452	3.4
213.09064	9.7
215.06906	2.7
219.04550	3.0
219.08041	2.3
220.05173	2.0
221.06020	16.1
221.07974	3.3
222.06653	13.1
223.07625	8.9
224.06923	2.2
224.08385	2.5
225.05588	10.3
225.09132	19.2
226.06213	3.1
233.08038	6.6
234.06750	3.5
235.07463	3.2
236.04718	8.0
237.05463	7.0
237.09117	2.3
238.06250	9.6
238.09903	2.1
239.06998	7.5
240.07819	16.4
241.08569	12.4
243.06445	2.2
250.06500	2.3
251.06995	10.6
252.07733	4.2
253.04854	3.8
253.08601	94.3
254.09123	8.4
255.06432	3.5
255.10165	3.3
256.07178	2.5
258.08878	12.2
265.08698	3.5
267.10123	4.4
268.07352	8.4
269.08035	6.5
270.08875	35.6
271.05878	3.0
271.09311	2.9
273.11212	38.4
274.11472	3.4
277.08633	3.9
279.06540	7.2
283.09634	7.1
284.10403	4.6
285.07965	3.3
285.11188	54.0
286.08664	3.3
286.11627	4.1
295.09662	6.5
296.10123	2.4
297.11163	6.6
299.09171	18.0
300.06235	3.1
307.09726	2.5
309.10934	2.5
311.09161	41.5
311.12576	1.7
312.09381	3.6
314.07782	3.2
315.05035	3.4
315.08566	23.2
316.08957	3.4
325.10678	32.5
325.14438	1.6
326.11023	3.2
327.05231	2.0
327.12250	5.3
329.10190	16.5
330.03629	2.7
339.12329	12.6
342.07016	2.3
345.06088	7.8
345.13412	21.9
357.13342	60.2
358.13455	6.2
359.07745	8.7
360.08395	4.9
375.10632	34.2
375.14484	21.7
376.10953	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	375.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47721	0.6
65.03941	8.0
66.69938	0.6
70.06600	1.6
71.17478	1.1
79.05504	0.6
81.03412	0.7
91.05488	1.1
92.05011	3.5
93.07049	1.2
94.06572	1.6
95.07357	1.1
96.08123	1.8
108.08127	6.2
110.09698	4.1
116.04957	1.4
117.45666	0.6
120.04468	7.6
120.08104	3.7
121.06440	0.9
122.06048	3.0
124.07616	1.3
136.07562	3.6
138.09117	4.5
144.04424	4.4
146.05940	0.8
148.03938	100.0
149.04266	2.7
154.08609	1.7
162.05531	3.1
166.05013	22.1
166.08652	10.8
169.48120	0.6
172.03954	13.2
177.05504	1.2
178.05850	0.8
190.04987	7.5
199.12218	0.8
204.06578	22.1
205.06856	1.4
221.02538	0.6
221.08144	0.7
227.11766	2.0
255.11319	13.9
256.11777	1.4
259.91080	0.7
273.12387	10.1
283.10800	11.8
301.11835	76.7
302.12207	5.4
319.12906	4.3
325.11722	1.2
343.12897	9.8
344.13004	0.8
357.14380	1.1
375.19754	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	375.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69891	0.5
55.01867	0.5
55.05489	0.6
58.31135	0.5
67.05496	0.8
69.07072	0.9
70.86756	0.7
73.02914	1.3
79.05479	2.5
91.05486	3.9
93.07067	1.3
95.04989	1.2
103.05476	1.7
105.07036	10.5
106.04178	1.0
107.04931	1.1
107.08579	0.8
109.02938	0.6
115.05488	4.1
117.07054	3.8
118.04128	1.1
119.04944	2.3
119.05721	0.6
119.08556	0.7
121.06494	1.9
123.04459	1.6
123.08097	2.8
128.06265	1.2
129.06992	0.7
131.04916	0.8
133.06514	9.3
134.07318	0.6
135.08072	1.3
136.05247	0.7
137.05977	2.2
143.06007	0.8
143.08563	1.5
145.06480	1.3
149.06032	1.6
149.09668	0.6
151.03905	0.9
151.07555	11.1
157.80145	0.7
159.11757	0.6
159.76585	0.6
160.05193	0.7
161.05991	9.1
162.06787	3.8
163.07570	1.2
167.07056	14.4
167.10826	0.6
168.07393	0.6
169.04874	0.6
171.08160	0.8
175.07585	2.9
177.09122	100.0
178.06223	0.6
178.09456	4.6
186.10411	0.7
187.11223	0.8
193.08618	38.6
194.08954	1.8
195.10185	7.7
203.10735	1.3
221.11710	4.8
229.12282	1.2
253.08591	1.2
357.13351	0.7
375.18097	0.6
376.17661	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	375.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.2
55.05516	7.7
67.05522	7.8
69.04558	83.3
69.07081	11.2
69.08234	38.2
69.74694	5.0
70.06595	87.4
77.99950	4.5
79.05499	9.4
81.07050	16.1
85.02881	6.1
85.06542	7.4
86.09709	13.0
88.04025	6.0
91.05466	11.9
93.07036	14.5
95.04980	12.2
95.08607	21.0
96.04515	12.6
96.08159	5.5
100.03970	10.9
101.02381	13.4
105.07069	10.6
107.08585	17.5
109.02869	5.8
109.10210	5.7
110.07168	38.7
114.05543	20.5
119.08566	6.2
120.08107	15.5
121.06517	6.8
121.10155	21.9
124.03963	22.8
125.09690	5.7
126.05492	5.7
135.11658	7.3
137.06003	7.5
152.03409	58.1
156.07693	16.5
161.02190	5.2
170.04495	100.0
174.05528	25.1
177.16431	35.6
188.03464	12.4
189.03745	17.1
190.03963	12.7
195.17513	7.1
202.04945	32.1
213.14880	8.4
213.18541	12.0
220.06140	10.1
229.15517	10.5
238.08336	9.4
263.13916	21.6
301.14291	9.5
325.10971	5.2
343.11978	10.6
375.06760	11.0
375.11020	5.8
375.18326	10.0
376.22061	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.5
55.26272	8.0
59.11283	7.7
67.05499	29.6
69.07071	15.5
79.05501	24.1
81.07044	44.6
91.05487	43.2
93.07046	61.6
95.04980	23.9
95.08604	33.4
97.06545	9.8
105.07041	100.0
107.08585	26.9
109.06547	12.3
109.10162	11.1
117.07050	15.5
117.96270	8.6
119.08572	61.3
121.06469	9.5
121.10152	62.7
129.07048	10.9
131.08582	33.5
133.10120	29.7
138.55763	7.6
140.63281	7.0
142.07770	10.8
143.08606	18.4
145.10147	48.8
147.11711	13.2
157.10147	29.9
159.11720	29.0
160.52893	7.9
169.10100	13.7
171.11658	11.8
173.13284	12.2
183.11725	11.4
187.14806	10.4
193.10239	9.2
195.11702	9.2
209.13292	12.3
223.14957	11.5
248.14056	7.9
343.22574	13.4
375.18005	10.3
375.26810	35.0
375.36407	12.0
376.26086	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	375.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01865	3.3
55.05512	100.0
57.03438	1.5
57.07063	3.2
67.05505	26.5
69.07063	9.6
69.43000	1.5
71.04996	2.4
71.08630	10.0
74.54365	1.8
79.05488	28.4
80.27057	1.6
81.07056	86.8
81.54871	1.8
83.04958	2.7
83.08620	49.5
85.06532	3.3
86.09705	4.0
88.11272	27.4
88.43668	1.6
91.05486	17.1
93.07044	19.5
95.04967	10.5
95.08611	16.9
97.06535	5.0
99.08086	3.3
105.07032	18.8
107.04972	5.4
107.08562	17.3
109.06516	42.7
109.10156	6.0
111.08099	3.8
117.07017	3.4
119.08574	13.5
121.06506	2.5
121.10123	11.5
123.08047	4.9
125.09667	1.6
126.92461	1.8
131.08543	8.9
133.10110	15.6
135.08099	2.1
135.11684	7.4
137.09613	3.0
145.10115	11.4
147.11716	9.9
149.09599	5.2
149.13266	9.3
151.11185	3.0
157.10126	4.6
159.11711	5.8
161.13242	3.4
163.11148	6.4
163.14835	7.1
165.12759	23.8
173.13275	3.6
175.11195	3.3
175.14893	1.7
183.11717	2.2
184.13321	2.0
187.14867	2.3
191.14366	2.2
193.12210	3.0
201.12675	2.1
224.20074	2.7
229.19519	5.9
239.17934	1.8
247.20535	7.3
257.19058	4.7
262.21780	2.3
275.20050	76.9
276.20493	5.7
278.24774	6.1
293.21054	7.6
315.95050	1.9
375.29172	9.9
375.36520	2.5
376.25888	3.1
376.32086	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	375.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	32.0
56.69292	2.7
57.07082	13.0
67.05506	69.2
67.05843	5.5
68.05832	3.5
69.07066	44.2
69.36390	14.7
71.04996	23.7
71.08662	4.5
72.13776	2.7
78.72290	2.9
79.05494	15.6
81.07056	100.0
81.07529	5.9
83.08620	31.5
85.06549	6.5
91.05484	5.0
92.60318	2.8
93.07034	15.7
94.18715	2.9
95.08605	94.3
96.08887	3.6
97.10171	34.0
98.22690	6.5
107.08598	9.8
109.10152	50.1
111.11734	10.7
116.74803	3.3
121.10137	19.5
123.11712	21.5
125.13242	4.4
135.11732	15.3
136.62634	3.4
137.13251	8.5
149.13258	7.9
163.14922	3.6
207.52032	3.0
225.09134	3.5
225.22282	2.8
303.30502	8.7
321.31619	28.7
339.32428	4.4
376.25577	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	376.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30693	1.3
50.51309	1.4
69.29912	2.9
69.30313	5.7
91.05482	3.0
93.07046	5.9
103.05477	4.3
121.06510	100.0
122.06830	4.7
134.34715	1.3
138.09146	23.2
138.10170	1.4
161.71799	1.7
161.73085	1.6
223.67329	1.3
348.32318	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	376.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	41.2
58.07418	0.6
69.02156	0.2
69.78152	0.6
71.78001	0.2
84.08144	0.3
87.04468	0.3
96.28109	0.2
102.09177	0.3
107.06104	0.2
108.04473	0.5
122.94900	0.2
124.08725	0.6
125.07118	5.6
126.05517	4.0
127.03900	0.2
134.07143	0.4
135.05539	0.6
191.11859	1.1
192.10214	0.4
204.53123	0.1
208.14430	2.2
209.12857	12.1
210.11241	1.0
210.13239	0.5
218.12874	4.8
219.11272	3.2
219.13126	0.2
220.11624	0.2
222.53531	0.2
260.15216	1.0
274.19171	0.7
274.80350	0.2
275.17545	8.0
276.17865	0.7
292.20193	9.3
292.63730	0.1
293.18536	7.6
294.19019	0.3
302.18619	16.3
303.19025	0.9
343.22537	0.6
349.27374	0.1
358.24863	1.2
376.25931	100.0
377.26263	9.8
388.13602	0.2
394.26990	5.4
395.27289	0.6
396.70175	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	376.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01875	4.7
55.05514	14.9
57.07080	9.4
61.36203	1.8
63.95621	2.1
65.15941	1.9
67.05504	6.9
69.07084	12.9
69.67265	4.8
71.08637	39.2
74.62585	1.8
79.05497	7.9
81.07065	16.1
82.07430	3.0
83.08620	6.5
84.64326	1.8
85.06560	2.4
85.85992	1.9
86.06123	2.6
86.09707	15.0
88.11275	100.0
89.06039	9.3
91.05487	5.3
93.07043	11.1
95.04980	11.1
95.08607	14.9
97.06532	2.5
98.23333	3.3
99.08083	5.0
105.07046	8.7
107.08625	6.7
109.06538	18.3
109.10161	4.8
110.06792	1.7
110.37725	1.8
117.07108	2.4
119.08577	4.4
121.06529	2.9
121.10130	3.1
123.08087	2.0
131.08592	5.0
133.08618	3.7
133.10109	4.6
135.08046	3.8
145.10167	3.4
147.11670	4.2
149.13254	4.7
156.13864	5.8
165.12762	63.5
166.13141	2.9
173.13281	7.9
182.61888	2.0
184.13351	5.2
184.16960	3.1
191.14325	8.0
195.12306	2.2
201.12924	3.3
208.17046	4.0
222.18422	2.5
224.20129	6.8
229.19548	3.0
243.95088	1.9
254.21169	4.4
262.21689	5.6
271.20657	5.2
275.20331	2.2
276.20386	4.6
278.24835	25.1
289.21683	8.3
358.30881	4.7
376.25977	8.0
376.32047	32.2
376.36194	3.3
377.32181	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	376.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51285	1.4
55.01880	2.4
55.05503	4.0
57.07082	8.9
62.27173	1.4
67.05500	8.4
69.07076	13.7
69.81049	5.5
71.08633	35.5
79.05489	4.4
81.07061	12.6
83.04970	1.9
86.09702	13.4
87.80497	1.7
88.07650	2.0
88.11275	100.0
89.11583	2.2
89.47049	1.6
90.08118	1.7
91.05505	4.0
93.07038	8.3
95.04969	16.5
95.08607	11.2
97.06535	5.0
99.08090	3.4
105.07007	5.6
107.08604	7.1
109.06528	17.6
109.10159	5.5
116.69280	1.5
117.07026	1.5
119.08585	4.6
121.10168	3.9
123.08037	1.5
125.46487	1.5
129.07048	1.5
131.08559	4.1
133.10149	3.5
135.08034	2.2
138.12851	2.1
145.10139	3.5
147.11661	3.1
149.13324	3.8
156.13831	7.5
163.11115	2.6
165.12769	69.0
166.13161	3.4
170.15381	3.6
173.13242	4.8
175.11229	2.2
183.11703	1.9
184.13300	4.8
184.16985	2.7
191.14362	5.5
198.18546	2.4
201.12720	2.3
213.79187	1.6
222.18503	1.7
224.20042	7.7
229.19556	2.6
254.21225	3.8
262.21725	7.5
271.20483	7.2
278.24799	19.8
289.21780	7.3
302.18750	1.7
314.32959	1.7
358.30966	4.3
376.26013	6.8
376.32062	35.1
376.36816	3.4
377.32504	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	376.9309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60332	6.7
67.90993	7.3
69.74425	15.0
69.74820	12.0
69.76385	7.3
75.72762	7.2
76.78122	8.0
80.60479	7.0
104.99269	21.0
105.23428	7.5
106.33234	8.7
120.96651	100.0
136.94026	10.5
140.45543	8.1
193.08220	7.8
236.50089	7.5
245.33542	9.6
249.25970	7.5
294.92850	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02869	0.4
70.28001	1.2
70.37234	0.5
70.45586	0.6
81.07016	0.5
90.27067	0.6
91.05457	0.7
95.08580	0.7
103.05479	0.4
105.07001	1.0
107.04947	0.6
107.08617	0.5
115.77402	0.4
118.58107	0.5
119.75303	0.5
120.08120	0.7
151.03854	1.0
161.02263	0.6
168.81522	0.5
178.05936	0.6
178.85373	0.4
179.03394	1.0
189.01788	0.7
192.00566	0.6
193.01350	0.5
207.02898	2.0
217.01338	2.7
235.02402	9.4
242.02042	0.7
245.00822	1.6
263.01892	6.6
270.01639	0.7
273.00259	3.3
275.99054	1.0
286.00882	0.7
288.02591	0.6
291.01340	3.2
298.00983	2.7
300.99771	6.6
303.98532	2.7
314.00507	0.6
319.00842	27.9
320.01205	1.3
325.94421	0.5
326.00534	3.4
328.99326	3.9
331.97949	0.8
343.00967	0.5
344.01633	9.6
345.02277	0.7
347.00342	75.7
348.00665	4.6
361.63721	0.5
362.02689	42.6
363.03015	2.5
377.05035	100.0
378.05389	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	377.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
57.03445	5.4
61.02924	2.5
69.03429	9.0
71.01367	1.7
71.04984	2.1
71.29009	1.1
73.02930	1.5
75.04478	2.5
78.03456	2.2
80.05017	1.0
81.03417	2.4
84.28533	0.9
99.04457	3.5
106.02934	5.8
120.08086	1.3
124.03960	22.3
130.06560	1.0
137.05983	0.8
145.07608	1.8
170.07153	1.1
172.08704	19.4
190.09691	1.1
198.06651	5.2
199.02151	19.8
200.08202	3.8
201.05280	3.4
204.28149	0.7
216.07709	12.4
218.09210	0.8
243.08794	47.7
244.09183	1.7
250.07285	1.4
268.08167	1.2
359.13489	1.6
377.08432	100.0
377.14508	53.0
378.07806	4.3
378.15475	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	377.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
51.39796	0.2
55.01893	0.3
65.03938	0.8
68.99786	2.6
71.01356	0.9
78.77849	0.2
85.56213	0.2
91.05485	5.8
93.07036	0.2
95.01337	1.7
95.04943	0.2
95.08598	0.3
105.07032	0.5
107.04941	0.4
110.90014	0.2
111.00806	1.3
111.04434	0.4
115.05441	0.6
116.05844	0.2
119.04947	19.9
120.05261	0.6
121.01983	0.3
121.02868	4.9
121.03880	0.4
121.06492	0.3
123.04457	0.2
123.20721	0.2
128.06169	0.2
129.06934	0.2
131.04938	1.1
133.06479	0.5
137.02333	0.6
139.00264	7.7
145.06471	0.7
147.04411	100.0
148.04741	4.0
152.06177	0.2
153.07007	0.4
155.06075	0.3
157.01355	0.7
157.06465	0.9
159.11653	0.2
161.05986	0.7
163.00244	0.7
165.07027	0.4
169.06447	0.2
171.04387	4.4
171.05626	0.5
171.07954	0.2
181.01283	0.4
181.06499	2.2
182.06982	0.3
185.05989	0.5
189.05482	4.8
190.05803	0.3
191.03439	0.2
197.05969	0.5
198.59303	0.2
198.92593	0.2
199.07695	0.2
209.05945	0.9
211.07559	0.3
213.05467	0.5
215.03387	2.3
225.09068	2.1
227.07053	0.5
231.06493	0.4
233.04478	0.3
237.05487	1.4
241.04897	0.7
255.06525	0.7
257.04453	12.5
258.04727	0.7
265.04980	1.2
272.46500	0.2
275.05515	4.0
281.05527	0.2
283.06009	47.5
284.06363	3.3
293.08133	0.8
307.09729	0.2
311.09171	0.4
335.09134	19.6
336.09515	1.9
349.11008	0.2
377.10220	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03944	2.5
55.01858	1.0
57.03206	1.0
57.03445	10.4
59.04997	0.8
61.02931	4.8
69.03086	1.2
69.03434	14.1
70.16543	1.8
71.01364	3.5
71.04984	4.1
73.02919	2.8
75.04480	2.7
81.03423	4.4
99.04459	5.8
117.05524	1.1
128.91756	0.7
145.07631	3.3
145.18060	0.7
157.06358	0.9
170.07156	1.6
172.08705	38.0
173.09126	1.2
184.08716	0.9
190.09763	1.2
198.06601	9.6
199.02194	1.9
200.08270	7.4
216.07671	21.2
217.07965	0.9
218.75732	0.7
224.92192	0.6
243.08783	80.3
244.06918	1.2
244.09184	4.6
293.18491	0.8
359.13522	3.1
377.08676	8.4
377.14560	100.0
378.14905	7.0
394.01337	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	377.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03984	2.6
55.01885	5.0
59.03762	0.6
59.91582	0.7
65.03937	3.3
67.05561	1.9
69.06898	4.9
71.01358	6.2
77.03967	1.1
78.04765	0.7
78.07068	0.6
79.05499	14.7
81.03482	0.9
81.07092	1.4
82.57430	0.7
84.28642	0.7
91.05479	10.2
93.03446	2.6
93.07093	2.4
94.04219	0.9
95.04971	9.1
103.05475	24.6
105.04576	1.9
105.07043	9.2
106.04197	0.8
107.04959	74.3
107.08608	1.2
108.02098	1.5
108.05333	2.1
109.02914	1.2
110.03680	1.3
111.04460	2.2
115.05458	7.5
116.06304	0.9
116.27895	0.7
117.07025	1.7
118.04192	2.8
119.04964	5.1
120.05738	2.3
121.06525	9.6
122.03677	1.8
123.04439	5.9
125.05988	6.6
129.06992	1.1
131.04941	7.4
131.08533	0.7
133.02843	5.8
133.06488	4.0
135.04414	12.3
135.08054	15.6
136.05125	0.8
136.08376	0.9
137.05983	28.4
138.06831	4.3
141.05470	2.1
145.06572	1.4
145.07637	2.4
146.03650	1.9
147.04425	6.0
148.04980	0.7
149.04782	0.7
149.05981	15.1
150.06747	4.4
151.03918	96.4
151.05013	8.5
151.07481	4.3
152.04266	3.4
152.52751	0.8
153.05472	9.3
157.06439	0.6
161.05983	17.9
161.09599	3.8
163.03929	5.9
163.07550	100.0
164.04552	0.7
164.07918	4.2
165.05492	5.5
166.06247	1.6
167.07034	9.2
169.72134	0.9
174.06790	1.2
175.07565	3.6
177.05470	5.9
177.09117	0.7
178.06261	23.5
179.07027	5.8
181.04959	2.0
181.08601	47.6
182.09370	6.7
189.05495	3.8
189.09088	10.3
191.06981	2.2
195.06548	12.2
195.10141	1.0
196.07320	13.9
196.67258	0.7
207.08376	0.9
207.10155	7.4
217.08569	1.0
235.09651	1.4
237.05473	0.7
238.22859	0.6
268.06961	1.1
270.08667	0.8
281.11584	0.7
283.09464	3.7
283.13126	2.1
308.47833	0.7
309.11099	1.0
311.12543	1.9
313.14169	0.8
327.11948	3.1
329.13934	5.0
332.08670	1.1
341.13565	1.3
359.14453	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	377.1595
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
51.02386	1.6
51.30929	1.2
53.03957	3.0
55.01879	6.5
57.03444	2.5
65.03938	3.8
67.05496	3.8
69.18428	8.5
71.01353	6.7
77.03924	1.4
79.05503	17.1
91.05491	9.8
93.03392	1.8
93.07038	3.2
95.04974	9.6
103.05466	26.8
105.03342	1.3
105.04495	1.4
105.07029	12.3
107.04958	74.3
107.08583	1.2
108.02045	1.9
108.05291	2.3
109.02876	2.5
109.06532	2.3
111.04418	3.7
115.05442	7.0
117.06987	2.4
118.04169	2.3
119.04943	5.5
120.05772	1.5
121.06490	13.2
122.03654	2.1
123.04446	7.5
124.05219	1.5
125.05997	5.8
131.04919	8.2
133.02866	6.5
133.06477	3.6
135.04424	13.2
135.08038	14.0
137.02356	1.2
137.05978	30.9
138.06728	4.5
141.05490	2.7
145.07597	1.5
146.03659	2.7
147.04442	6.4
149.05992	14.4
150.06714	5.3
151.03917	100.0
151.05003	7.3
151.07552	4.1
152.04330	2.3
153.05473	8.7
161.05980	15.8
161.09627	4.9
163.03897	4.9
163.07544	93.0
164.07964	4.2
165.05536	6.8
165.06718	1.1
165.09103	1.1
167.07050	8.4
174.06793	1.6
175.07556	3.5
177.05437	7.8
178.06255	20.5
178.07756	1.9
179.07072	7.7
181.08595	41.6
182.09259	5.6
189.05469	4.0
189.09108	9.2
191.07033	1.4
195.06541	9.7
196.07300	14.2
197.07607	1.5
207.10252	6.7
213.06534	6.7
217.08522	1.4
235.09708	2.6
241.06035	6.9
283.09726	3.8
283.13171	2.2
309.11063	1.4
311.13165	2.2
313.10770	1.6
315.74048	1.4
327.12167	2.3
329.13757	2.9
331.15182	1.3
359.14880	2.4
377.11911	9.1
391.04181	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	377.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01871	5.2
56.98786	1.0
65.03938	4.8
67.05501	2.3
69.36036	1.1
71.01362	8.3
71.30964	1.7
77.03957	1.1
79.05500	12.2
81.03416	1.3
91.05479	11.2
93.03416	2.8
93.07050	4.1
95.04980	9.4
103.05466	22.9
105.04504	2.1
105.07040	9.9
107.04961	75.4
107.08587	2.3
108.02106	2.3
108.05315	3.1
109.02840	1.6
109.06535	1.5
111.04453	2.9
115.05488	8.1
117.07001	2.3
118.04166	2.6
119.04954	3.4
120.05716	2.3
121.06532	13.1
122.03671	1.6
123.04418	4.6
125.05994	8.2
129.07008	1.3
130.96242	1.2
131.04932	8.9
131.08586	1.8
133.02863	4.8
133.06483	2.8
135.04431	11.7
135.08063	18.3
137.05991	27.9
138.06709	4.8
141.05467	1.7
145.06502	1.9
145.07616	2.6
146.03618	3.3
147.04405	7.1
149.05995	15.2
150.03186	1.5
150.06758	4.7
151.03920	97.9
151.05005	8.0
151.07501	5.2
152.04291	2.7
153.05470	10.9
161.05986	17.2
161.09605	4.2
163.03894	7.0
163.07552	100.0
164.07927	4.3
165.05531	4.3
167.07080	8.1
175.07535	4.0
177.05521	7.7
178.06250	26.0
179.07019	7.8
180.07845	1.1
181.08607	49.0
182.09354	7.4
189.05469	3.5
189.09113	12.3
191.07062	1.9
191.10683	2.2
195.06561	12.6
195.10359	1.1
195.50432	1.1
196.07317	13.3
197.07765	1.2
207.10178	10.6
208.10550	1.8
212.49197	1.2
213.06700	1.2
217.08675	2.3
229.11972	1.1
235.09534	1.7
268.07346	1.3
283.09653	3.2
297.11435	1.4
311.12613	1.9
327.12128	2.2
329.13800	5.5
341.13831	2.3
359.14743	3.3
362.02887	2.7
377.05280	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	377.1599
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03945	2.9
54.11835	0.9
55.01870	5.3
57.03445	0.8
65.03941	4.5
67.05507	3.9
71.01351	8.4
71.12084	1.5
73.77568	0.7
77.03927	1.5
78.04704	1.1
79.05495	15.3
81.03394	0.8
85.82506	0.7
89.03903	1.1
91.05489	11.3
93.03410	3.6
93.07071	2.1
95.04976	9.4
98.23434	0.8
103.04790	1.3
103.05473	24.7
105.04524	1.9
105.07033	9.8
106.04158	1.2
107.04958	81.0
107.08590	1.2
108.02098	2.5
108.05311	2.4
109.02839	1.6
109.09238	0.8
110.03683	1.5
111.04454	2.6
115.05457	8.6
117.03343	1.1
117.07016	2.3
118.04160	2.1
118.95538	0.8
119.04945	4.8
120.05729	2.5
121.02776	1.0
121.06512	12.9
122.03619	1.5
122.07417	1.1
123.04424	3.5
124.05217	1.6
125.05988	8.3
129.06949	1.0
131.04929	9.2
131.08583	0.9
133.02838	4.5
133.03687	0.7
133.06476	3.8
135.04430	12.9
135.08049	15.8
137.02409	0.8
137.05986	29.0
138.06786	4.0
141.05438	1.8
145.06520	0.9
145.07600	1.9
146.03641	2.3
147.04416	14.3
147.08025	0.8
148.05206	2.2
149.05971	14.9
150.03113	1.0
150.06755	5.1
151.03920	100.0
151.05005	7.6
151.07520	6.1
152.04260	3.0
153.01846	1.4
153.05481	10.6
160.05203	0.9
161.05992	17.2
161.09622	3.7
162.06265	0.9
163.03911	6.4
163.07545	92.4
164.04642	0.9
164.07907	5.0
165.05504	5.7
165.06770	1.0
167.07088	7.6
174.06796	2.4
175.07529	2.9
177.05470	5.4
177.09081	0.8
178.06259	23.7
179.07048	9.6
181.05037	1.7
181.08601	43.8
182.09335	6.4
189.05479	2.8
189.09088	11.1
191.07056	2.2
195.06544	11.6
196.07330	13.6
197.07811	0.9
203.06873	0.8
207.08319	1.3
207.10162	8.5
213.06517	0.9
217.08588	2.1
235.02417	2.0
235.09692	1.7
241.06053	1.0
249.09132	1.3
253.08363	0.8
281.11789	0.9
283.09668	2.8
283.13251	2.2
291.01654	0.9
309.11252	1.1
311.12823	2.7
319.00766	4.9
327.12341	2.9
329.13837	4.2
331.15408	1.0
341.13879	1.9
344.01373	1.5
347.00339	14.3
349.15143	0.9
359.14767	1.9
362.02740	6.1
377.05081	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57315	4.6
53.03955	5.7
55.05529	26.9
57.03440	6.3
66.92547	4.7
67.05515	41.0
67.05819	7.9
69.03420	9.4
69.07072	23.9
71.04995	15.1
79.05511	32.6
81.03418	6.7
81.07065	74.9
83.05000	9.7
83.08625	19.0
85.02892	9.0
85.06564	14.6
91.05457	26.3
93.07065	32.5
95.08037	10.5
95.08611	97.7
96.08977	5.5
97.02916	7.2
97.06542	18.7
97.10176	11.2
105.07045	34.8
107.08590	16.4
109.10167	16.7
111.08130	5.3
119.08580	46.7
121.10161	12.8
123.08124	6.7
133.06519	6.2
133.10121	31.8
135.11668	25.4
137.13304	19.5
145.10123	5.9
151.07568	5.5
159.11763	7.0
161.13254	100.0
173.08099	6.1
173.09573	6.9
173.11790	11.9
179.14320	88.2
197.15375	25.4
215.10658	8.7
315.52582	5.1
323.18466	5.2
341.19705	7.2
362.69049	5.2
367.26544	6.8
377.23218	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	377.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	7.0
55.01873	5.0
55.05505	20.3
61.86743	4.8
67.05506	34.7
69.03391	7.0
69.07067	22.2
69.29882	23.6
69.30294	8.7
71.04977	7.2
79.05502	21.2
81.03433	10.8
81.07067	75.9
83.04987	15.3
83.08611	19.2
85.02898	10.6
85.06541	10.6
91.05479	23.8
93.07040	25.3
95.04999	7.6
95.08612	95.0
97.06519	21.6
97.10168	6.8
99.08071	7.1
105.07037	35.5
107.08615	13.1
109.10181	8.5
119.08596	45.4
121.10152	14.2
131.08556	8.3
133.10133	35.1
135.11705	22.9
137.13225	21.6
145.10149	9.3
151.07547	6.6
151.24350	5.5
157.10219	6.3
159.11623	8.5
161.13254	100.0
173.09625	9.7
179.14326	99.2
187.11169	6.2
197.15366	26.5
338.36862	5.2
366.92734	5.6
377.23160	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	377.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.2
57.07081	9.8
65.03931	5.2
67.05511	16.0
69.07063	27.8
71.08627	2.9
76.96729	3.1
79.05506	19.8
81.07063	31.8
82.93155	3.3
83.04999	3.4
83.08610	5.6
89.06032	11.4
91.05488	100.0
91.06075	5.0
92.05817	63.9
93.06159	18.4
93.07045	33.2
95.04971	23.8
95.08606	31.6
97.06493	5.6
104.84930	3.1
105.07029	47.3
107.08601	24.5
109.06528	4.7
109.10167	12.1
117.07025	12.7
119.08585	53.3
121.06493	10.2
121.10149	22.2
123.11692	9.4
128.06261	6.5
129.06990	4.4
131.08603	17.7
133.08571	4.7
133.10127	24.5
135.11714	5.9
137.13264	4.9
142.07805	14.3
143.08562	11.7
144.09343	5.9
145.10161	22.1
147.11713	14.5
149.13315	3.6
155.08519	6.1
156.09334	4.7
157.10139	24.3
159.11713	12.5
161.09605	8.3
161.13220	3.4
169.10150	7.0
171.11658	11.0
173.13319	6.1
175.11179	4.4
175.14830	8.5
177.16380	5.9
179.08466	5.3
181.10225	3.3
183.11658	5.0
185.13303	4.1
187.14809	4.7
189.16359	3.4
195.12010	4.2
197.13326	5.1
199.14853	4.6
203.18025	3.4
211.14984	4.7
228.92162	3.2
267.20935	5.2
300.94308	3.0
359.27026	3.9
376.34793	9.8
377.28046	4.9
377.35211	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	377.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05511	3.0
57.07078	100.0
58.07412	1.9
62.09613	1.7
63.68150	1.2
69.04560	1.3
69.07068	6.8
71.08633	82.2
73.02903	2.1
83.08620	2.3
85.10182	42.9
87.04474	1.8
88.43420	1.2
89.06033	92.9
90.06362	2.0
91.05875	1.2
94.07271	1.2
97.10108	2.1
99.11738	5.2
105.00121	2.2
107.07078	5.9
111.11749	3.0
113.13322	3.7
119.01671	4.3
127.09700	1.3
127.14862	3.0
130.08705	1.6
133.08606	43.0
151.09686	7.0
177.11234	7.8
195.12274	30.2
228.83646	1.4
234.22827	1.2
377.25980	1.7
377.32468	3.7
377.38501	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	378.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
52.13180	0.3
53.03936	0.6
55.01865	0.4
56.05028	0.3
57.03435	0.7
69.03432	3.2
69.32393	0.3
69.35216	0.3
69.86134	0.5
69.86493	1.1
70.06583	0.3
70.27643	0.3
71.04973	0.4
73.02914	0.5
78.03027	0.5
78.03455	6.5
79.04239	0.3
80.05022	3.7
81.03419	3.9
82.10429	0.3
85.02911	3.8
91.05437	0.4
91.19144	0.3
95.04980	0.4
96.04497	4.2
97.02891	2.3
98.23290	0.3
99.04459	1.5
105.07010	0.4
106.02920	28.5
107.03238	0.8
107.04938	0.5
109.02879	3.6
111.04456	2.5
111.25146	0.3
121.06470	0.3
124.03953	100.0
125.04276	2.2
127.03915	3.0
135.04506	0.4
137.05986	0.4
140.03407	0.3
167.07135	0.4
177.05484	0.4
179.06966	0.6
181.04948	1.2
181.08565	0.4
206.69177	0.3
207.06567	1.0
208.05936	0.4
232.05969	0.5
250.07121	10.5
251.07428	0.5
268.08145	8.7
269.08389	0.7
377.74301	0.3
378.11807	30.7
379.12317	2.3
383.63016	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	378.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63391	9.0
69.38896	21.1
69.39311	26.0
79.28049	8.6
85.02905	20.5
95.05000	20.6
117.41236	8.8
123.04427	17.6
140.04697	100.0
147.04517	8.8
155.07037	49.8
181.04971	16.8
186.79063	9.2
199.06038	94.2
225.95869	10.2
315.31946	9.5
318.31683	10.9
343.11850	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	378.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	6.8
70.55341	0.9
72.08152	1.0
84.08154	1.0
110.07163	0.8
120.08096	1.2
122.02155	0.5
130.34697	0.5
132.08420	1.3
136.07542	0.7
138.05272	9.0
140.03195	6.1
166.04745	0.9
169.24667	0.4
184.05826	14.3
185.06094	0.6
217.09528	0.8
219.07341	0.7
235.02336	0.8
235.10522	7.3
237.08478	16.5
246.81581	0.5
263.10114	2.1
266.70322	0.5
281.11096	27.2
282.11377	1.3
306.14273	1.2
334.13766	11.6
335.14169	0.7
350.16769	0.5
360.15146	1.1
371.54840	0.5
378.16360	100.0
379.16672	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	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54177	3.5
60.04512	10.4
64.87231	3.5
70.06595	20.7
70.24725	3.9
70.84898	8.0
74.02446	12.3
81.07060	5.6
85.02922	7.0
91.05489	14.5
93.07057	9.5
103.05475	6.6
119.04964	5.6
121.06507	16.0
147.04411	8.7
149.06073	5.1
152.14366	15.4
166.06270	11.6
181.08618	100.0
182.09050	4.0
198.14836	13.8
199.09653	55.3
216.15981	20.5
330.67181	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
53.90279	2.4
57.03428	3.3
60.04527	11.3
67.05500	4.6
69.03442	4.1
69.10597	5.4
69.10997	16.7
69.48328	2.8
70.06601	26.2
72.08171	4.7
73.46855	2.8
74.02449	11.5
74.25080	3.2
79.05500	3.7
81.07037	6.1
82.06596	3.0
83.90115	2.9
84.08183	3.2
85.02923	8.8
91.05483	17.2
93.07038	9.7
94.06579	4.3
97.02895	3.5
98.23328	4.9
98.97569	2.7
99.04461	3.2
103.05493	8.7
107.08588	3.7
119.04967	7.9
120.08125	8.8
121.06516	19.0
122.06076	3.8
134.82397	2.8
137.06013	3.5
145.02815	4.8
147.04430	22.7
147.71802	3.5
149.06035	5.8
150.05539	28.3
152.14360	9.2
153.01811	6.1
166.06323	10.7
168.06599	13.0
169.02664	18.0
177.05440	4.5
181.08611	100.0
182.09048	4.7
198.14946	9.9
199.09674	49.8
199.11409	3.4
204.10233	11.0
216.15962	18.4
231.11708	4.1
233.02718	41.8
248.12869	11.1
266.14044	4.1
279.13498	4.4
342.22913	4.4
346.10458	23.4
360.23816	5.9
379.05927	21.3
379.10208	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	378.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62711	1.9
53.03941	3.0
55.05503	7.0
57.07065	5.3
62.44854	1.9
67.05511	13.0
69.07066	7.4
69.37624	11.4
70.06597	4.5
70.65691	2.0
72.08157	2.0
74.33242	1.9
77.60960	1.8
79.05488	11.0
79.54052	2.0
80.05023	20.6
81.05791	3.9
81.07064	9.9
82.06596	10.9
83.08601	3.3
91.05475	17.9
93.05782	3.7
93.07036	11.4
94.06569	100.0
95.05018	2.3
95.07368	3.0
95.08611	7.0
96.08146	3.2
98.23361	3.5
104.45897	2.4
105.07043	11.7
107.07377	2.4
107.08598	5.4
108.08128	6.1
109.10188	3.0
117.06986	2.2
119.08569	8.8
121.10144	2.5
122.09651	4.3
133.10132	5.8
136.11211	2.9
193.05118	2.4
260.23676	4.3
262.25320	92.5
263.25623	7.3
276.42963	2.2
378.27014	2.2
378.32175	6.3
390.82980	2.1
393.04697	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	379.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20071	0.8
58.99887	0.8
70.06574	1.8
70.70679	1.6
74.06066	1.6
86.09743	1.3
88.11277	2.3
91.05480	7.9
98.97572	2.1
119.01980	1.1
119.04956	23.2
147.04420	77.7
148.04781	2.4
152.14177	0.8
153.01834	1.2
158.99718	1.1
159.71594	1.0
169.02617	36.9
172.27568	1.0
177.00693	1.2
187.02159	1.9
187.03729	0.9
215.01663	7.6
222.00781	0.8
223.04523	1.2
233.02693	100.0
233.14931	1.6
234.03000	1.9
235.02449	1.3
247.04646	2.0
265.05728	5.2
265.26721	0.9
300.99930	1.3
316.80011	0.8
361.05139	2.5
379.06369	30.6
379.11026	1.5
379.19336	1.1
380.06827	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97031	1.1
70.06580	4.1
70.07517	1.1
70.07871	3.8
72.08160	3.8
81.03410	3.1
86.09695	3.4
87.04522	1.2
91.05490	1.9
116.95360	1.0
120.08105	4.4
140.78302	1.0
185.04219	80.2
186.04584	1.6
203.05267	1.6
217.04718	20.8
276.28629	1.2
296.35681	1.2
379.09976	100.0
380.10303	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	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89656	0.7
62.21541	0.7
67.05482	0.8
69.07063	1.6
70.06584	3.3
71.06929	0.9
72.08154	4.1
81.03407	1.7
85.02883	0.8
86.09695	2.6
87.05582	0.8
91.05492	1.7
93.07023	1.2
95.04965	1.2
98.22615	1.4
101.25617	0.8
104.10642	0.7
115.03976	0.9
117.07047	0.8
120.08105	7.3
165.09164	0.9
181.08617	1.1
183.10112	1.4
185.04218	66.4
186.04605	1.7
195.88579	0.7
203.05246	0.8
217.04724	16.6
217.06837	0.8
233.16556	1.6
238.45317	0.8
264.05298	0.9
280.12714	0.7
379.09955	100.0
380.10376	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	379.1366
Annotation	CHEBI:83275
Peak:m/z	Relative Intensity
55.05496	1.1
60.93214	0.5
67.05490	1.4
67.78713	0.5
69.03422	1.5
69.07072	0.7
69.20087	1.1
69.20485	2.7
71.04974	1.1
79.05477	2.6
81.03419	2.6
81.07049	2.2
83.04967	0.7
89.09365	0.5
91.05463	2.1
93.07057	2.9
95.04959	1.2
95.08595	1.4
97.02921	0.8
97.06522	1.4
99.04451	1.2
105.07040	2.7
107.04976	1.0
107.08595	2.4
109.02872	2.5
109.06496	1.1
111.04424	0.6
117.07005	0.8
119.08595	1.7
120.08073	0.6
121.06512	1.9
121.10123	1.1
125.06029	0.7
127.03912	1.0
127.07494	0.5
129.06989	0.7
131.08556	4.1
135.08072	0.8
137.05977	0.7
143.08586	0.8
145.10153	2.3
147.11685	1.7
149.09615	2.2
153.01834	6.0
157.10118	0.8
159.11734	0.6
163.11229	1.0
171.11734	0.6
173.09665	0.7
175.11209	1.2
175.60980	0.4
177.09087	0.5
185.04216	3.4
187.11243	0.5
189.12747	0.8
191.10722	1.4
193.12225	0.8
199.11238	0.5
201.05270	1.5
204.17857	0.5
209.11737	2.3
216.07570	6.8
217.08366	13.3
217.12238	1.8
218.08781	0.9
235.13304	0.7
246.26109	0.5
251.12848	0.6
308.08737	0.5
320.32123	0.4
362.15765	0.8
379.13629	100.0
379.18045	10.0
380.13812	5.6
380.17786	0.7
380.25436	0.8
397.17273	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	379.1366
Annotation	CHEBI:83275
Peak:m/z	Relative Intensity
55.05496	1.1
60.93214	0.5
67.05490	1.4
67.78713	0.5
69.03422	1.5
69.07072	0.7
69.20087	1.1
69.20485	2.7
71.04974	1.1
79.05477	2.6
81.03419	2.6
81.07049	2.2
83.04967	0.7
89.09365	0.5
91.05463	2.1
93.07057	2.9
95.04959	1.2
95.08595	1.4
97.02921	0.8
97.06522	1.4
99.04451	1.2
105.07040	2.7
107.04976	1.0
107.08595	2.4
109.02872	2.5
109.06496	1.1
111.04424	0.6
117.07005	0.8
119.08595	1.7
120.08073	0.6
121.06512	1.9
121.10123	1.1
125.06029	0.7
127.03912	1.0
127.07494	0.5
129.06989	0.7
131.08556	4.1
135.08072	0.8
137.05977	0.7
143.08586	0.8
145.10153	2.3
147.11685	1.7
149.09615	2.2
153.01834	6.0
157.10118	0.8
159.11734	0.6
163.11229	1.0
171.11734	0.6
173.09665	0.7
175.11209	1.2
175.60980	0.4
177.09087	0.5
185.04216	3.4
187.11243	0.5
189.12747	0.8
191.10722	1.4
193.12225	0.8
199.11238	0.5
201.05270	1.5
204.17857	0.5
209.11737	2.3
216.07570	6.8
217.08366	13.3
217.12238	1.8
218.08781	0.9
235.13304	0.7
246.26109	0.5
251.12848	0.6
308.08737	0.5
320.32123	0.4
362.15765	0.8
379.13629	100.0
379.18045	10.0
380.13812	5.6
380.17786	0.7
380.25436	0.8
397.17273	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	379.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
53.49082	1.5
54.05386	1.6
55.05495	2.1
65.03947	8.5
67.05494	4.7
69.03452	3.9
69.07085	1.9
69.61031	3.1
69.61436	5.9
75.39481	1.6
78.85430	1.7
79.05488	3.7
81.07054	2.4
82.04208	2.3
85.02886	5.9
86.09725	2.0
91.05483	11.5
93.03404	2.0
93.07038	3.4
95.04977	1.8
95.08593	2.8
95.44531	1.5
97.02859	2.4
97.06546	3.1
99.42420	1.7
101.03072	1.6
105.06996	3.7
107.04967	5.2
108.02122	2.1
109.02900	2.1
109.06579	1.9
110.03662	3.5
113.93017	1.5
119.04935	3.2
119.08565	2.7
120.05737	1.6
121.06540	7.8
121.10145	2.4
123.04422	2.5
125.05994	3.8
129.06915	2.3
136.05223	2.3
137.05951	5.3
138.03120	3.0
142.02586	1.9
144.41771	1.5
146.03653	3.9
147.04405	2.2
149.05951	2.6
151.07550	6.1
153.05473	6.3
164.04738	1.8
165.06895	2.0
167.07101	15.0
170.04390	1.9
170.24330	1.6
171.06581	4.0
179.07033	43.9
181.04974	92.3
181.06430	5.4
181.08411	8.9
182.05284	4.1
189.12747	1.8
192.04169	3.9
193.04991	2.1
193.08640	3.1
198.06642	2.4
207.06534	100.0
208.06921	6.4
213.09105	4.4
217.12384	2.5
241.06262	3.2
241.08672	6.1
242.06424	3.0
259.07343	1.9
269.08191	5.0
273.11270	6.5
283.17175	1.8
286.08276	3.2
297.79428	1.7
300.86292	1.7
301.10751	9.4
302.11395	1.9
333.13361	20.5
361.12897	2.4
379.22015	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	379.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
65.03949	7.4
67.05511	4.1
69.03441	3.3
70.89681	2.9
75.58538	1.4
79.05495	2.4
82.04223	3.2
85.02909	4.5
87.30013	1.4
91.05497	10.9
93.03410	1.6
93.07051	1.9
94.59721	1.3
95.04980	3.5
97.06541	2.3
98.22562	1.4
102.01906	1.4
105.07038	3.0
107.04974	5.6
109.06532	2.2
110.03669	2.9
111.04486	2.0
119.04975	5.6
121.06520	5.4
123.04438	1.4
125.06008	3.2
137.02274	1.7
137.05998	5.0
138.03131	2.6
141.89206	1.3
142.02608	3.2
146.03603	1.9
147.04443	3.2
149.02377	2.1
151.07527	7.2
153.05492	5.3
153.07037	2.8
161.06030	2.9
164.04688	1.8
165.05603	2.3
165.07036	3.0
167.07021	16.2
168.07608	1.4
171.06575	3.0
173.37840	1.2
178.74876	2.0
179.07051	45.8
180.07466	2.7
181.04973	100.0
181.06256	4.9
181.08374	6.9
182.05330	4.2
183.08055	2.0
193.08681	3.8
195.08096	2.7
197.05986	2.2
197.07980	1.5
198.06769	2.8
207.06540	99.2
208.06906	4.6
209.06105	1.6
213.09116	2.7
225.05612	1.6
241.08679	6.8
243.06512	1.9
245.11830	1.4
268.07489	1.4
269.08154	5.5
273.11221	5.8
275.09381	1.6
286.08588	1.6
301.10699	12.7
302.11279	2.0
333.13345	17.1
334.13544	2.0
361.12695	2.5
379.09906	3.8
390.39764	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	379.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	4.0
53.03944	25.8
55.01872	11.8
55.05507	15.9
60.04546	3.9
67.05505	21.8
69.03433	57.7
69.07059	17.1
69.26501	18.3
69.26903	8.6
71.05003	23.4
71.87119	3.0
72.08136	7.0
79.05498	63.7
81.03420	90.0
81.07068	81.3
82.03736	4.0
83.04986	42.1
84.04515	4.4
85.02904	11.2
85.06553	10.0
86.09704	9.6
87.05592	3.7
91.05479	57.4
93.07054	100.0
94.52897	4.2
95.04975	26.2
95.08609	19.3
97.02887	13.1
97.06520	33.2
99.04451	28.4
101.06020	5.7
102.97649	3.2
103.05497	5.5
105.07035	75.6
107.04975	17.6
107.08588	49.6
109.02881	64.2
109.06514	43.0
109.10175	5.7
110.03662	14.9
111.04464	28.4
111.08081	6.2
117.07036	10.8
119.04958	7.2
119.08586	56.1
120.08112	28.1
121.06509	62.3
121.10147	15.6
123.04465	4.7
123.08077	12.6
123.11655	3.6
125.02379	16.2
125.05982	16.1
127.03925	71.0
127.04845	3.3
127.07543	19.8
128.06219	7.0
129.07002	14.5
131.04974	3.4
131.08546	27.4
133.06499	13.4
133.10106	26.8
135.04417	7.1
135.08052	20.8
135.11659	3.6
137.05988	14.1
137.09660	3.5
139.07527	10.6
141.07077	4.9
142.07791	13.3
143.07059	11.1
143.08606	19.9
145.04924	3.9
145.06473	10.1
145.10123	33.8
146.11742	4.9
147.04422	18.0
147.08047	12.3
147.11697	58.8
148.04761	13.1
149.04935	8.2
149.05997	5.1
149.09564	4.0
151.07520	6.3
155.08524	8.8
156.09358	7.3
157.10141	21.8
157.72180	3.8
159.08063	15.4
159.11703	13.1
161.06058	9.1
161.09613	9.7
161.13226	11.1
163.07626	7.7
163.11209	10.8
165.12779	17.6
169.10107	6.0
171.07913	4.1
171.11740	23.4
173.09671	19.6
173.13072	5.5
175.07552	8.2
175.11174	32.9
177.09143	4.5
180.10121	8.4
181.10136	4.2
185.09465	7.3
187.07471	5.7
187.11205	13.0
189.09077	6.1
189.12775	35.8
191.10689	5.1
193.12239	17.9
197.09596	6.7
199.11159	27.4
201.09109	6.0
205.08545	5.7
205.12206	7.3
207.11404	7.7
207.13838	8.8
208.14185	4.1
211.11244	4.3
211.13206	4.8
213.09250	4.3
215.10760	10.9
217.08781	3.6
217.12250	78.9
218.12527	3.8
219.10092	3.8
233.11769	7.7
235.11102	5.9
235.13226	33.2
255.13911	6.8
275.12732	3.4
283.13290	6.0
284.06372	5.2
285.06522	8.4
297.14902	7.3
301.14389	6.7
315.15857	9.2
319.15298	10.1
325.14453	5.3
337.09854	8.0
343.15335	14.7
361.16367	22.8
379.04480	5.1
379.12677	6.0
379.17346	86.3
379.24893	5.9
380.17899	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	379.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05516	8.6
57.07074	10.3
60.15254	1.3
65.03954	1.4
67.05504	12.2
69.07071	23.6
71.04985	5.0
71.08620	4.2
79.05508	9.3
81.07056	22.9
83.04986	2.5
83.08616	4.3
85.06551	8.1
85.10183	1.9
89.06033	7.8
91.05471	10.7
93.07050	21.8
95.04967	1.8
95.08604	15.2
97.06528	3.9
97.10157	1.7
101.09648	9.8
105.06998	8.2
107.08598	23.5
109.06505	7.8
109.10149	3.5
111.08093	4.1
115.33038	1.4
118.82394	1.5
119.08579	5.4
121.10151	9.9
123.08067	5.7
123.11691	2.6
125.09643	3.5
131.08548	3.2
133.08606	3.9
133.10100	3.2
135.08043	28.8
135.11659	4.5
137.06000	4.6
137.09616	1.7
139.07532	6.0
145.10040	2.2
147.11671	6.6
149.09613	4.7
149.13225	5.2
150.06799	2.7
151.11313	1.3
152.08348	4.0
153.09102	2.5
159.11740	1.9
161.09604	2.1
163.11145	2.4
165.09114	24.2
165.12755	4.9
169.12381	1.3
171.74258	1.5
177.11337	2.1
177.12711	14.4
178.13324	1.8
179.14291	5.2
181.15868	6.5
183.13780	2.5
185.13362	1.4
191.14325	4.5
193.12285	1.4
195.12216	4.1
195.13863	1.8
197.15288	2.5
197.83453	1.4
201.14828	4.6
209.15324	10.0
220.17166	1.3
228.78230	1.8
263.20123	2.5
291.19507	2.4
305.21124	2.0
323.22009	1.8
329.24539	3.3
347.25803	100.0
348.26044	9.2
352.15051	1.6
379.27811	15.7
379.32819	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	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.05273	1.8
53.55171	1.6
55.05516	8.5
55.21701	1.8
57.07079	18.6
58.83004	2.4
63.26529	1.7
67.05504	12.5
69.07075	23.1
71.04986	2.0
71.08601	2.3
79.05494	13.1
81.07067	21.9
83.04970	1.8
83.08644	4.6
85.06535	11.1
85.41455	1.7
88.28271	1.6
89.06050	3.7
91.05478	10.6
93.07051	21.4
95.04964	2.8
95.08597	14.1
97.06531	5.5
98.45382	1.7
101.09663	6.2
105.07031	10.8
107.08595	25.9
109.06521	11.0
109.10145	6.2
111.04417	2.5
111.08085	4.5
117.07053	2.1
119.08581	7.6
120.09353	1.8
121.06431	2.3
121.10149	11.5
123.08067	10.3
123.11671	3.1
125.06029	2.4
125.09671	2.5
131.08588	2.7
133.10121	2.6
135.08063	25.5
135.11720	5.3
137.05995	12.6
137.09654	2.7
137.13272	2.1
139.07523	5.0
145.10172	3.0
147.11679	6.0
149.09634	4.4
149.13251	6.5
150.06812	2.2
151.07547	4.5
151.11240	2.4
152.08311	2.2
157.10153	3.8
159.11653	3.5
161.09621	2.4
163.14919	2.3
165.09109	22.0
165.12746	8.6
171.11713	1.9
177.12750	15.6
179.14307	3.0
181.15915	5.2
181.74356	1.8
183.13750	3.3
191.14368	5.1
197.15402	3.6
201.14864	4.6
209.15381	9.0
228.80333	1.9
263.20093	7.9
319.26419	4.5
323.22031	2.6
329.24832	3.8
347.25784	100.0
348.26105	10.3
351.28943	6.2
361.27457	9.2
379.28302	39.6
380.28323	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	380.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
60.04530	3.6
67.05513	0.8
69.03436	0.9
70.06596	1.2
71.05015	0.8
71.28448	0.7
72.08139	0.6
79.05500	0.7
81.03433	1.0
81.07049	0.7
84.08144	0.8
85.02904	1.7
85.10198	0.7
86.10874	0.6
91.05497	1.2
93.07036	0.9
95.04947	1.1
97.02896	0.8
102.12816	2.7
105.07057	0.6
109.06526	0.6
109.10177	0.6
116.08208	0.5
118.43446	0.5
119.04971	1.2
119.08546	0.7
123.08086	0.5
129.10179	0.5
130.17355	0.5
137.09601	1.1
138.05492	0.9
145.02849	0.5
147.04410	3.9
148.04776	1.3
153.01860	1.1
153.63815	0.6
155.15544	0.6
165.09189	1.3
169.02666	0.7
170.02884	0.8
174.05278	30.5
183.10204	2.4
185.04219	2.5
218.04250	5.7
233.02681	2.1
234.03012	1.7
294.09482	2.5
336.10544	100.0
337.10852	5.7
344.24457	1.2
362.25375	1.8
380.09659	16.9
380.26410	1.1
381.09619	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	380.1317
Annotation	3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
60.04531	0.9
70.06592	0.7
71.28918	0.4
96.33041	0.4
109.06083	0.4
120.08152	0.5
123.49851	0.5
141.33784	0.4
218.07964	1.9
219.03085	0.5
291.04987	0.5
336.10471	1.3
380.13168	100.0
381.13538	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	380.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.4
56.05033	5.1
59.05004	5.7
60.58801	0.8
67.05489	1.5
69.03411	1.0
71.28541	1.3
81.07075	1.5
82.06595	1.3
84.04508	30.9
85.02916	0.9
91.05480	1.3
95.01318	5.3
96.04492	2.7
99.04459	3.7
100.03984	1.2
101.07124	1.3
107.08560	1.5
109.10168	1.2
110.06052	2.1
112.03974	9.4
119.04954	1.0
120.04468	1.1
120.08091	0.9
123.11730	1.0
125.09610	1.0
127.03893	1.6
132.04523	1.9
137.09627	0.9
137.82253	0.8
138.05502	80.5
139.05850	2.9
144.06563	100.0
145.06926	1.8
146.05962	1.3
147.04445	1.5
161.09184	7.6
162.09673	0.9
165.12781	2.3
166.04997	47.5
174.05533	12.1
183.07706	2.5
183.13766	2.5
198.07626	26.0
198.09477	1.2
202.05002	23.2
203.05325	1.3
211.07153	1.8
220.06116	4.0
226.07112	21.8
243.09782	55.5
244.10179	2.0
244.35672	0.9
380.20462	1.9
381.15332	1.5
394.77139	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01867	2.1
55.05511	2.0
61.02912	1.8
67.05505	17.4
69.03419	6.1
69.59339	4.8
69.59744	3.0
74.06059	3.2
79.05492	2.3
81.07054	12.6
84.04471	1.7
85.02917	11.6
86.09715	9.2
91.05493	4.9
93.07086	2.7
95.04987	3.0
95.08620	10.9
97.02877	2.4
98.22599	3.1
99.04457	2.8
101.07157	2.0
107.08613	2.6
109.02863	2.6
109.10165	67.4
110.10493	2.1
119.08566	4.0
120.08110	11.7
121.10189	2.7
122.61738	1.6
125.06008	5.9
127.03925	1.9
136.07596	2.5
137.05988	1.8
137.09628	100.0
138.09944	4.3
155.10683	31.6
157.13388	1.9
165.09135	61.7
166.09465	2.7
179.06961	2.7
183.10188	31.0
196.09734	4.3
201.11232	91.9
202.11569	2.7
219.12335	2.0
221.12856	11.0
249.12486	1.7
257.54401	1.5
309.13223	5.1
369.52490	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48141	5.5
53.03939	10.1
66.97453	6.0
67.05517	28.8
69.03436	23.3
70.06580	7.2
70.79466	13.3
76.60229	4.4
79.05492	11.9
81.07062	12.0
83.04985	27.8
85.02913	24.0
91.05482	14.8
93.07063	31.0
95.04962	12.3
95.08591	13.5
97.02900	9.0
99.04472	5.1
99.10392	5.3
107.08611	8.1
109.06551	6.2
109.10157	49.2
109.88129	6.5
110.07188	7.1
119.08561	28.8
121.06512	41.6
121.10137	8.5
123.08086	8.6
127.03934	9.8
129.58714	5.3
137.09624	41.4
147.08051	28.6
158.47400	5.5
165.09129	100.0
167.20496	5.2
183.10175	25.1
223.05864	5.4
244.90051	5.2
267.02393	6.3
349.19980	5.3
381.11447	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21355	4.8
53.07630	4.0
53.77614	4.2
54.57368	4.8
55.05511	10.5
67.05501	17.1
67.67513	4.8
69.32420	10.6
69.32825	22.5
74.87120	5.5
81.07055	60.8
85.02913	12.3
91.05502	7.6
93.07016	8.1
95.08603	9.1
105.07025	19.4
112.44917	4.8
119.08598	11.4
121.10136	21.9
123.10819	7.3
123.11717	100.0
126.41514	5.5
140.77974	5.1
147.11687	50.3
165.12782	56.1
183.13707	11.6
185.25296	5.7
313.86487	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	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
59.59429	0.4
67.05479	0.5
70.06594	0.5
71.08633	19.2
72.54218	0.4
72.90043	0.4
75.50111	0.4
84.04503	1.1
86.06071	0.5
88.11270	100.0
89.11591	2.7
91.05438	0.5
95.04984	0.4
96.49760	0.4
97.02878	0.5
113.06057	0.6
118.03257	1.5
119.04936	0.5
121.06495	1.0
129.99562	0.6
131.07072	1.0
147.04404	1.1
162.02222	0.7
191.03423	0.7
191.67596	0.4
219.02901	0.6
221.00687	0.5
233.02829	0.6
234.02960	0.5
234.08011	0.7
247.02686	0.6
252.97992	0.6
270.08365	0.4
275.01831	0.8
275.97012	0.5
277.03461	0.5
303.01318	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	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31756	11.0
70.60403	24.5
71.05000	79.9
79.05537	13.6
81.15178	11.0
85.02917	18.3
86.09707	14.1
91.05505	50.9
93.07080	27.0
95.08616	20.8
105.07008	16.0
107.08611	13.3
112.51364	11.5
120.08148	46.0
123.11783	13.6
133.79742	12.7
136.07640	15.5
137.09721	17.2
147.04437	15.4
147.11737	18.6
163.90674	11.5
165.09122	12.1
165.12773	100.0
177.05533	19.6
183.10173	41.5
183.13737	21.7
206.65796	11.5
267.07669	40.8
285.08603	25.7
303.01511	16.4
313.08524	13.2
331.09497	19.0
381.15515	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37658	3.9
63.23715	4.0
70.20756	13.7
74.46241	5.1
85.24788	4.1
178.13820	4.3
193.22990	4.3
199.29305	4.2
262.07782	4.2
318.83673	3.8
377.57159	4.6
381.07953	100.0
382.08133	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	381.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
69.48834	1.7
105.07084	0.3
107.04990	0.3
118.98032	0.3
152.81860	0.3
181.04953	0.3
186.40457	0.3
195.41139	0.2
196.25294	0.3
242.03285	0.3
261.63297	0.3
381.11572	100.0
382.11923	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	381.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	7.5
64.18289	4.4
67.05527	4.1
69.07066	5.4
71.08645	4.0
73.76373	3.6
81.07080	10.1
92.98530	4.2
93.07082	5.4
105.07027	6.6
109.06554	6.9
118.26603	3.8
119.08624	7.3
137.09685	3.7
151.07607	4.8
165.12782	12.3
206.92606	4.3
207.09970	14.5
281.61096	4.0
289.21545	9.5
347.21979	100.0
348.22131	6.6
363.21494	16.1
381.26334	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	381.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
56.04358	0.7
69.03421	1.4
81.03423	9.5
85.02911	2.0
89.03921	2.9
95.08582	1.0
99.04469	1.7
109.02863	4.6
112.82031	0.7
117.03398	5.6
121.06512	1.4
127.03920	11.8
130.15623	0.8
145.02850	13.7
146.03217	0.8
149.05954	2.0
177.05484	24.7
178.05827	1.5
202.06073	1.3
276.15213	0.7
349.10791	1.1
351.25089	3.0
356.06116	0.8
363.10703	6.7
381.13184	3.5
381.26144	100.0
382.26501	8.3
397.76221	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	381.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31140	2.1
55.01872	9.1
55.05517	9.7
57.03433	4.0
57.07093	4.0
61.67638	2.1
65.03927	2.3
67.05509	16.2
69.07072	12.1
71.08637	2.9
77.61494	2.4
79.05492	11.8
81.07063	19.8
83.04976	2.2
83.08616	3.9
91.05492	15.2
93.07059	19.0
95.04976	10.5
95.08613	17.8
97.06541	8.2
99.08147	2.7
105.07025	12.2
107.08621	10.2
109.06529	36.8
109.10142	3.3
119.08612	10.4
121.06501	25.7
121.10157	6.1
131.08612	8.4
133.10159	3.9
135.08038	11.1
137.09613	4.1
143.08539	2.6
145.10159	9.0
147.11647	4.4
159.11734	5.5
163.11226	19.9
164.61987	2.2
165.12762	23.3
175.11241	2.4
177.12796	2.6
187.14809	2.4
191.14346	8.4
211.16422	2.2
233.15289	3.3
240.24657	2.1
243.21017	3.3
251.16595	2.1
261.22198	13.4
269.88025	2.3
289.21613	100.0
290.21994	9.4
307.22791	3.3
363.18945	2.9
363.25528	2.7
381.26389	43.2
382.26605	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	382.1708
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.30282	0.8
57.07071	3.8
59.05003	2.2
63.46622	0.8
67.05487	2.2
69.03427	1.1
69.07069	2.0
70.02961	2.0
70.13532	0.8
72.04515	9.3
73.02908	2.0
73.45235	0.7
76.25407	0.9
83.73595	0.9
85.02885	2.9
85.06540	6.5
86.09721	1.1
90.05557	61.3
95.04948	3.2
96.08145	1.2
98.02396	9.4
98.23418	1.7
99.50178	1.0
100.03950	1.2
103.07579	4.2
113.06007	2.2
116.03442	7.9
124.07564	9.4
131.07159	0.9
142.07692	0.9
142.08629	5.6
145.02811	1.1
147.04466	1.0
160.09718	1.2
174.11259	2.1
184.09714	12.7
190.32857	0.9
202.10725	21.1
220.11794	100.0
221.12180	3.7
229.07608	0.9
267.19009	1.0
316.93494	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	382.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84587	2.3
60.04504	2.0
67.17731	1.7
70.06253	2.8
70.06599	29.5
71.27768	1.8
83.06136	5.5
84.04518	3.5
84.08147	3.4
85.02920	3.9
86.06061	11.1
86.09715	31.2
91.05482	18.5
93.07045	2.5
95.04990	5.1
95.06068	3.4
110.07175	44.6
114.10343	2.0
116.07102	51.1
119.04955	17.8
121.06503	18.4
130.06575	3.7
131.99408	1.9
136.06204	3.5
136.07614	3.4
137.05989	2.0
138.09186	3.2
147.04407	3.5
151.07550	100.0
152.07965	3.7
153.01837	3.3
156.07690	55.4
156.80223	2.1
157.07680	3.6
158.05980	3.5
168.10216	23.5
169.10567	2.1
173.09245	4.1
175.08673	4.5
199.18130	2.6
203.08261	4.1
207.99181	3.8
213.12421	4.8
215.10379	7.5
221.00847	4.4
263.10367	2.9
269.15967	3.0
271.06070	3.1
295.12741	2.6
340.03241	2.9
346.01309	2.3
367.05289	2.0
382.24612	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	382.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.5
60.18500	0.4
61.02920	0.4
66.92542	0.3
69.03432	0.5
69.07072	4.4
70.06597	0.7
71.13017	0.5
81.04565	0.5
82.05329	0.6
83.06100	3.3
85.02921	2.5
86.09707	54.6
87.10055	1.3
93.04547	2.1
95.06095	4.6
97.02887	0.5
110.07166	77.6
111.07495	1.3
118.06519	0.4
121.06524	1.9
121.07236	0.4
130.06535	5.1
132.04449	1.3
138.06584	0.4
144.08096	1.4
145.07568	1.9
146.06030	0.6
147.04362	0.4
156.07689	100.0
157.07628	5.2
158.06007	3.7
159.09135	0.5
164.49489	0.4
166.06094	1.3
172.07568	1.2
175.08705	4.1
178.13402	0.4
183.09204	1.4
185.07043	1.1
199.08620	0.5
199.18069	6.8
200.06975	0.9
203.08157	7.5
204.06580	0.6
209.06950	0.7
217.09769	2.3
221.00800	0.4
221.09233	3.6
227.08162	0.8
227.17497	1.3
228.06601	0.5
231.07593	0.5
234.12303	0.7
245.09137	1.4
251.14955	1.4
263.10263	2.7
269.16083	7.4
299.10104	0.7
307.05896	0.4
347.12308	0.5
348.10834	0.6
364.23331	0.7
365.13480	1.9
382.19830	0.8
382.24500	11.4
383.14374	1.3
383.24869	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	383.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94905	0.4
60.53223	0.4
63.01394	0.4
64.41684	0.4
69.86566	2.1
70.06596	0.5
73.40750	0.4
73.67542	0.4
79.74004	0.4
81.12888	0.4
91.05489	0.5
96.76756	0.4
114.37207	0.4
148.03926	0.4
165.91687	0.4
181.05031	2.2
185.04176	2.2
189.05309	1.3
194.04536	0.6
205.04671	0.5
220.07060	5.1
221.04463	0.8
221.07837	7.7
222.04037	1.1
222.07808	1.2
265.22916	0.4
293.09116	1.0
330.89798	0.5
339.09808	0.4
353.12039	0.6
383.13113	100.0
384.13477	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	383.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.7
69.03445	0.6
70.06582	1.4
83.08623	5.5
85.02908	1.1
86.99070	0.5
101.09669	1.0
107.08597	0.6
110.07110	0.7
116.07008	0.5
130.29652	0.6
131.04965	0.6
136.06192	1.0
137.05894	0.9
147.04404	0.8
163.03790	0.7
180.06519	0.5
185.04219	2.9
189.05254	2.1
205.04770	0.7
205.08948	2.9
220.07076	7.6
221.04564	1.2
221.07870	10.0
222.03958	0.7
222.07851	0.9
222.11607	3.1
238.05341	0.9
377.70920	0.6
383.13144	100.0
384.13400	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03437	5.8
59.05000	3.8
60.02151	0.5
65.03942	1.2
67.05499	0.9
68.56216	0.3
69.03436	3.9
69.07964	2.5
71.01356	7.1
71.04997	4.8
73.02921	0.7
75.04488	1.6
75.73731	0.3
79.01839	0.3
83.04992	0.7
85.02908	15.6
87.04474	6.9
91.05482	100.0
92.05809	2.9
95.01328	1.0
95.04980	0.5
97.02887	6.4
97.06539	0.8
99.00811	2.2
99.04453	6.4
99.59176	0.4
100.41018	0.3
101.02393	0.4
103.03931	3.4
106.73549	0.3
111.04436	1.5
113.02370	3.8
114.03139	0.7
117.05491	1.0
117.07011	0.4
119.08578	0.4
123.00842	0.4
127.03890	1.9
131.03371	2.2
137.05959	3.2
138.20084	0.3
139.03946	0.3
141.01857	1.9
141.05444	0.3
145.04976	1.7
155.03406	0.6
155.07057	0.8
159.06560	0.6
169.05020	1.1
172.07222	0.5
173.04486	3.0
193.08611	24.5
194.09007	1.0
197.04527	0.8
215.03737	0.3
215.05574	1.2
219.08675	0.5
221.08086	8.2
222.08383	0.8
226.26874	0.3
235.09706	2.3
247.08096	0.7
290.11545	1.4
291.08856	0.6
291.12234	0.8
333.09552	0.6
365.12549	0.6
383.12717	0.7
383.16910	0.6
383.24463	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	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.6
57.03427	3.0
59.14188	2.6
69.03435	7.1
69.12665	3.0
81.03425	8.7
85.02908	33.3
94.06602	3.4
97.02902	7.9
101.31824	2.7
109.02891	5.4
110.07156	8.0
113.52757	2.5
117.05844	3.4
118.06564	6.3
120.79496	2.6
127.03922	5.7
130.06516	54.2
131.06898	4.8
132.04456	15.3
132.08124	5.9
144.06929	4.4
144.08084	26.7
145.07607	21.0
146.06020	12.3
148.07715	3.8
154.06509	4.2
156.08119	3.1
157.07611	61.3
157.08817	3.8
158.06001	44.7
158.08046	4.0
159.09138	10.0
160.07549	5.7
161.05931	2.8
169.02861	3.2
169.07661	7.1
170.06067	10.1
171.04404	8.9
171.09178	8.2
172.07668	11.7
173.10764	3.0
174.05516	7.0
175.08670	50.5
176.07111	4.2
181.07648	6.0
182.24825	3.6
183.09184	13.6
184.07553	3.0
185.07147	9.6
187.08752	5.8
188.07118	12.2
189.05476	6.7
199.08748	10.7
200.07085	17.5
202.07251	3.2
203.08157	100.0
209.07167	7.9
213.06601	7.7
215.08011	3.5
216.08951	5.8
217.09698	30.3
221.00800	3.0
221.09216	51.7
227.08195	11.7
228.06570	4.0
231.07677	35.3
232.06010	4.4
245.09241	25.7
249.08664	7.8
263.10248	44.3
299.10434	6.6
341.06509	3.2
347.12482	10.7
348.10858	6.3
365.03519	5.7
365.13477	27.0
383.09229	7.3
383.14407	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1489
Annotation	5,4'-Dimethoxy-3'-prenylbiochanin A
Peak:m/z	Relative Intensity
57.07070	2.2
67.05176	1.6
67.05505	6.6
69.04095	13.2
69.04499	3.2
69.07068	4.7
70.68979	1.9
81.07040	2.8
85.39417	1.6
91.05472	1.9
91.08842	1.7
91.91180	2.0
93.07065	2.0
98.22646	4.4
104.40182	1.8
105.07057	2.9
109.10131	3.4
118.59385	1.8
157.06673	1.9
161.28770	1.6
165.05486	3.4
165.06885	1.7
173.09705	1.8
179.08508	2.6
181.06566	2.3
183.04544	2.0
193.06541	3.1
193.42888	1.6
193.53543	1.9
196.05267	1.8
197.05998	6.1
198.06819	5.4
203.08548	2.8
205.06572	2.6
207.07973	2.0
209.09665	2.0
210.06790	4.6
211.03964	1.8
211.07579	7.1
213.05522	6.1
219.08093	2.0
220.08841	3.5
221.06142	1.9
221.15295	1.8
223.07472	2.0
224.04698	3.7
225.05542	5.4
225.09119	7.8
226.06270	5.3
235.11241	5.9
237.05489	2.4
237.09210	2.0
238.06256	2.6
239.07042	3.7
240.04181	4.2
240.07870	3.1
241.04932	14.9
241.08611	4.3
242.05908	3.2
245.39403	1.9
247.07529	2.8
248.08374	7.4
249.09100	2.6
251.03519	3.6
251.07144	1.8
252.11586	2.6
253.04970	3.9
253.08679	5.9
254.05753	4.2
255.06490	12.9
256.07300	16.5
257.07892	1.9
261.09277	2.0
263.07068	2.6
263.10736	11.7
264.07886	2.7
264.11102	2.7
265.05118	1.7
265.08646	7.2
265.11911	2.3
267.10211	3.0
268.07135	2.9
269.04562	7.3
269.08063	5.8
276.08096	2.4
277.08566	3.5
278.09363	4.1
279.06686	1.9
279.10147	3.8
280.11023	6.4
281.04575	3.6
281.07898	2.4
282.05429	2.2
283.06033	25.8
283.09610	5.6
284.06766	6.8
285.07883	2.4
291.07001	2.3
291.10156	6.8
293.08154	6.2
293.11719	11.4
294.12619	3.4
295.10065	2.3
295.13333	8.4
296.06790	4.9
297.07635	9.8
300.06323	6.6
305.08429	2.1
306.09030	3.7
307.09647	6.9
308.10443	3.7
310.08298	6.3
310.11734	3.0
311.09195	10.6
311.23337	1.8
313.07059	8.7
314.07837	93.9
315.08441	10.5
321.11151	27.0
322.11911	9.7
323.09238	4.3
323.12811	11.4
324.13348	2.3
325.14294	13.6
326.07669	2.6
327.08597	13.8
328.09125	2.6
338.11520	5.6
341.10162	18.8
352.13107	4.5
353.13855	100.0
354.14194	6.8
365.21054	2.1
383.14917	81.1
384.15240	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	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
55.01871	17.3
55.05512	28.2
57.03432	9.3
57.07089	5.4
59.05022	4.8
61.02921	8.4
67.05509	36.5
68.99796	11.3
69.03436	100.0
69.07060	14.1
71.01356	6.1
71.04996	61.1
71.72422	4.5
73.02878	7.6
79.05493	37.0
81.03423	73.2
81.07053	63.2
83.04977	15.7
85.02901	49.0
87.00837	39.6
87.04473	5.2
91.05479	54.1
93.07044	65.6
93.34509	4.7
93.35162	5.1
95.01309	8.6
95.04976	33.0
95.08624	34.7
97.02888	52.4
99.04462	10.1
99.08101	14.5
100.11257	7.2
103.03933	7.4
105.01864	9.2
105.04519	5.2
105.07037	88.5
107.04968	15.0
107.08601	59.2
109.02889	10.2
109.06512	28.1
109.10172	37.6
111.04463	14.7
115.03931	11.2
117.07024	28.9
119.04934	17.2
119.08588	48.0
121.06513	37.7
121.10135	44.5
123.04398	17.1
123.08080	20.4
123.11713	17.0
125.06027	8.2
127.07578	17.0
128.06216	15.2
129.01866	6.6
129.07013	19.0
130.07756	12.0
131.07718	5.4
131.08556	34.0
133.06529	11.1
133.10135	26.8
135.08066	18.9
135.11717	35.4
137.06001	8.6
137.09610	7.5
139.03822	5.3
143.08580	21.3
145.06464	10.6
145.10146	53.8
147.08076	25.9
147.11697	26.7
149.09576	11.3
149.13248	9.3
151.07626	9.7
151.11192	19.3
155.08565	17.8
157.06393	6.8
157.10104	11.8
158.06058	5.3
159.02921	8.8
159.08083	10.5
159.11720	16.7
163.07500	9.5
163.11163	29.2
165.12738	33.6
169.10199	7.6
171.08058	13.5
171.11673	10.5
172.08795	5.5
173.09631	56.0
173.13307	7.9
175.07550	26.5
175.11182	8.2
177.12747	27.9
179.14325	6.2
182.28937	5.1
183.08089	9.6
187.11275	6.2
189.07463	4.9
189.09143	18.8
189.12711	10.5
191.10667	25.3
193.12253	14.7
201.03976	25.8
201.09091	9.9
201.12740	11.1
205.12341	9.5
215.14410	12.8
217.12233	9.2
219.13826	17.4
225.12816	6.6
231.13715	6.1
243.13838	34.4
261.14825	42.4
279.15912	20.7
319.55032	5.2
347.14877	23.1
365.16025	27.3
383.16696	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	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23583	5.4
53.03941	17.1
55.01878	29.0
55.05513	32.4
57.03436	14.2
57.07089	8.6
57.91949	6.4
61.02928	7.4
64.67884	6.4
67.05513	39.0
68.99791	23.0
69.03428	95.8
69.07066	15.7
71.04993	71.9
73.02928	6.7
79.05495	52.6
81.03411	46.6
81.07075	55.9
83.04995	24.7
83.08625	13.9
85.02910	72.3
85.06559	9.8
87.00832	56.2
91.05479	90.1
92.05822	6.9
93.07053	67.1
95.04973	37.0
95.08604	47.1
97.02906	63.1
97.06547	10.8
98.23344	15.1
99.04504	9.5
99.08086	7.5
100.11281	17.6
103.03917	7.5
103.05492	10.6
105.01870	8.9
105.04558	8.2
105.07029	100.0
107.04970	21.7
107.08600	72.4
109.02903	22.5
109.06512	28.9
109.10146	53.2
111.04446	16.5
113.02373	7.5
115.03968	8.5
115.05474	12.4
117.07038	33.4
119.04977	9.1
119.08594	79.7
121.06499	56.4
121.10152	79.3
122.10490	6.7
123.04462	25.0
123.08076	21.6
123.11724	35.1
125.06095	7.4
127.03953	14.5
127.11188	7.2
128.06248	12.3
129.01866	7.3
129.07013	26.7
130.07733	11.8
131.08578	39.9
133.06499	24.7
133.10136	30.8
135.04449	9.8
135.08060	27.7
135.11681	37.7
137.06001	11.6
137.09610	29.4
137.13260	7.2
142.07852	7.4
143.08591	22.3
145.06541	13.0
145.10132	62.7
147.08095	34.3
147.11713	43.5
149.05873	6.9
149.09662	22.5
151.11230	21.9
155.08575	22.7
157.06509	10.8
157.10150	15.4
159.02917	14.5
159.08069	15.6
159.11707	38.7
161.09677	9.4
161.13200	12.9
163.07576	10.7
163.11197	23.9
165.12790	37.1
169.10175	7.8
171.02968	6.6
171.08101	14.4
171.11696	11.9
173.09637	86.6
173.13263	15.4
175.07602	27.1
175.11206	17.4
177.12781	49.6
179.14339	9.9
182.15417	7.5
187.11185	11.1
187.14813	7.7
189.09105	13.1
189.12740	20.0
191.10686	37.4
193.12271	14.4
197.13315	13.7
199.11241	6.2
201.03951	23.9
201.12743	12.3
205.12292	13.8
207.10371	6.0
207.13690	6.6
209.11745	7.3
210.14970	6.0
215.14345	11.1
219.13748	14.4
225.12762	17.1
229.05045	14.9
233.15366	13.7
237.14908	6.9
243.13794	58.7
261.14902	72.4
279.15912	30.0
321.17154	9.6
347.14951	13.2
365.15900	26.4
383.17130	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	383.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66276	1.0
54.98265	0.9
56.76610	0.9
60.04520	1.9
60.68756	1.0
69.61684	3.6
70.06597	100.0
70.81086	0.8
71.06938	1.5
73.93158	0.9
83.06105	1.4
84.04510	25.9
85.02908	1.3
105.07070	1.1
110.07166	2.7
116.07098	18.8
116.77647	0.9
133.19276	0.9
143.08197	3.1
147.06699	0.9
171.07692	5.3
176.61560	1.0
179.43341	0.9
204.02985	2.0
213.12354	80.5
214.12642	3.8
383.12897	1.3
384.17603	1.2
384.95551	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	383.2064
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
53.03950	5.8
55.01863	6.6
55.05514	45.8
56.28863	2.8
57.03428	11.2
59.96009	2.8
61.02921	13.1
65.03956	3.0
67.05512	19.2
69.03434	54.7
69.07064	7.1
70.15091	2.8
70.85034	4.1
71.04980	4.6
73.02911	5.5
79.05499	13.6
81.03411	15.6
81.07060	30.0
81.07479	4.3
83.04985	17.5
83.08623	3.5
85.02908	64.5
87.04469	21.0
88.20734	2.9
91.03960	6.5
91.05482	21.0
93.07050	18.2
95.04957	16.9
95.08621	15.5
97.02896	32.4
97.06506	7.0
105.07019	23.9
107.08576	9.7
109.02863	10.3
109.06503	18.5
109.10151	5.4
117.07008	7.0
119.08589	54.0
121.02875	4.9
121.06551	3.6
121.10155	25.5
121.92456	3.3
123.08038	6.8
127.03911	12.9
129.06921	2.9
130.04964	4.4
131.08569	6.7
133.10130	73.1
134.10475	3.4
135.08023	6.8
135.11682	3.4
137.09612	6.0
143.08588	2.9
145.04967	9.3
145.10110	11.5
147.08051	60.8
147.11667	8.5
151.11174	4.9
157.10115	4.2
159.06335	3.6
159.11725	8.9
161.09618	20.2
161.13257	100.0
162.13588	4.4
163.11136	4.0
165.09103	23.1
170.10893	9.2
173.09666	3.9
175.11172	6.2
175.14838	37.4
177.12846	2.7
183.98122	3.0
185.13252	15.0
188.12039	5.6
191.14445	4.3
202.05025	4.3
203.14330	99.9
204.14697	4.9
207.83727	2.9
221.11572	8.9
221.15361	78.5
222.15732	6.1
229.47876	3.3
299.05328	3.9
311.05261	3.7
323.05750	8.1
339.08612	3.6
365.06577	6.3
383.07541	5.4
383.16638	24.2
383.20523	4.3
390.35312	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	19.7
55.05518	31.4
57.03441	15.5
57.07085	8.8
61.02934	13.8
62.30186	6.3
67.05510	33.8
69.03440	46.9
69.07064	24.9
71.04996	58.2
71.30653	6.6
73.02903	7.7
75.49430	5.9
79.04527	5.6
79.05505	41.0
81.03405	34.8
81.07063	100.0
83.04972	14.0
83.08613	11.7
85.02910	57.1
91.05479	39.8
93.07056	71.1
95.04975	27.3
95.08595	61.9
97.02888	38.3
97.06548	18.8
99.04443	13.0
100.11228	12.0
103.03954	19.2
105.07036	81.7
107.08612	66.6
109.06525	15.1
109.10165	50.6
111.04447	14.3
111.08074	13.6
117.07003	19.4
119.08585	72.1
121.06522	31.2
121.10165	57.4
123.04459	11.2
123.08051	21.8
123.11710	21.7
125.09632	15.6
127.03923	14.1
127.11181	25.9
128.06282	7.1
129.06969	13.0
131.08556	40.5
133.06540	8.7
133.10146	52.5
135.08034	15.0
135.11682	47.5
137.05992	7.5
137.09647	23.7
137.13234	9.3
142.07794	7.4
143.08592	34.4
145.10120	55.6
147.08057	9.8
147.11720	51.4
149.09653	9.0
149.13345	16.5
151.03951	8.1
151.07515	9.0
151.11147	12.4
153.12759	13.3
155.08551	11.0
156.09291	7.1
157.10172	36.4
159.08073	8.4
159.11696	56.1
161.09645	8.3
161.13281	18.7
163.11206	14.4
169.10118	8.2
171.11722	24.9
173.09589	8.3
173.13287	17.0
175.11250	14.1
177.12769	12.3
181.04950	15.9
181.08549	7.0
183.11693	18.0
185.13245	18.8
187.11050	7.3
187.14799	14.9
189.16379	26.1
191.14258	7.2
193.15878	8.9
197.13396	8.0
199.11308	9.5
201.12793	12.1
201.16391	20.8
203.17969	20.1
207.11795	6.6
215.17929	8.5
225.12814	9.0
227.17847	8.2
229.15933	9.4
233.19020	8.1
245.18918	15.8
259.72485	6.0
263.19949	6.5
305.21112	8.4
311.20334	7.2
329.20972	17.7
347.22128	17.9
353.10287	9.2
365.23257	19.3
383.10831	11.1
383.15298	13.5
383.24231	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.01869	10.7
55.05516	29.3
55.59982	4.1
57.03439	21.7
67.05511	40.1
69.03429	15.2
69.07076	23.1
69.74448	13.4
70.02033	5.2
71.01369	6.2
71.05003	25.8
73.02917	6.9
79.05494	36.9
81.03432	23.7
81.07065	75.7
83.04984	11.4
83.08633	14.4
85.02899	28.9
85.06536	4.5
91.05482	40.9
91.24338	4.0
93.07050	38.0
95.04982	18.6
95.08617	87.2
95.62002	4.5
96.03360	4.1
97.02913	18.5
97.10168	9.9
98.23295	7.2
105.07033	55.5
106.64771	4.1
107.04963	5.2
107.08610	29.1
109.06522	7.8
109.10161	37.0
111.04427	7.8
111.08055	8.1
117.07009	11.3
119.04907	4.3
119.08590	100.0
119.09433	4.8
120.08969	7.1
121.06500	12.1
121.10143	34.5
123.08078	17.7
123.11719	19.7
125.09631	12.2
127.03938	6.6
127.11221	11.6
129.05473	9.5
129.07019	6.8
131.08629	20.8
133.04973	11.8
133.06544	6.2
133.10146	19.6
135.11726	11.7
137.06029	5.7
137.09642	17.0
137.13316	5.5
141.06897	6.3
142.07858	13.4
143.08554	17.3
145.10152	30.9
147.08035	7.4
147.11690	32.8
149.09636	5.4
151.11150	7.9
155.08653	6.1
156.09334	6.7
157.10121	50.4
159.11699	49.4
161.13283	17.4
163.11220	10.3
167.08473	5.0
169.10144	13.9
171.11732	20.8
173.13206	8.7
175.11212	9.6
179.93385	4.5
181.10181	6.4
183.11711	14.6
185.13272	5.9
187.14902	5.8
189.11232	10.3
192.09369	9.5
193.12242	16.8
193.19656	6.0
195.11699	7.2
197.13235	10.9
199.14841	7.6
201.12791	13.5
201.16428	5.2
203.17958	10.1
207.11667	5.1
211.13290	17.4
213.12814	7.3
213.16351	9.2
219.13747	7.3
219.17398	8.3
221.19112	5.3
225.12663	8.6
227.18040	6.0
231.17401	12.5
233.19028	12.0
241.15929	5.6
243.13828	8.0
243.17471	4.8
245.19029	9.4
261.14877	6.1
273.18500	8.6
291.19519	9.6
311.20184	10.3
317.21158	6.0
329.21048	9.1
347.04532	5.1
347.22198	8.5
365.23291	9.6
383.16742	10.1
383.24088	12.9
383.28250	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	11.5
55.05504	26.3
57.03422	8.6
57.07087	5.7
61.02905	4.6
67.05495	36.3
69.03419	28.9
69.07071	17.2
71.01310	4.6
71.04991	38.9
79.05489	33.4
81.03414	17.5
81.07060	100.0
83.04971	12.4
83.08624	17.3
85.02904	32.9
85.06544	5.3
87.04464	10.3
91.05462	27.9
93.07042	53.7
95.04940	22.0
95.08602	55.7
97.02901	11.4
97.06532	8.8
99.04462	4.9
99.08051	5.1
100.11262	30.6
103.03951	7.9
105.07031	59.5
107.04959	7.2
107.08585	63.0
109.06512	13.5
109.10149	49.6
111.04452	16.6
111.08066	6.3
115.03918	5.0
117.07037	15.5
119.08589	52.8
121.06520	15.8
121.10128	39.9
123.08054	16.7
123.11677	21.8
125.09638	8.2
126.01997	5.5
127.03922	7.3
127.11202	21.3
127.50061	4.7
129.07002	9.3
131.08560	25.9
133.10135	34.8
135.08107	13.5
135.11676	42.2
137.05966	6.0
137.09612	12.7
139.07510	5.3
142.07753	6.9
142.84872	5.0
143.08549	14.3
145.06480	4.6
145.10104	30.8
147.08038	10.6
147.11662	36.4
149.09561	5.7
149.13243	10.5
151.11192	6.0
153.12747	24.3
155.08562	7.6
157.10136	23.9
159.08070	4.7
159.11691	40.2
161.09630	9.5
161.13254	12.9
163.11168	7.3
165.12677	7.7
169.10081	7.2
171.11716	15.2
173.13295	12.6
175.11156	10.9
175.14796	13.2
176.61659	4.7
177.16409	6.4
179.10660	4.3
181.10104	6.1
182.15390	6.5
183.11673	9.8
185.13274	7.5
189.09084	6.7
189.12761	5.8
189.16330	7.2
193.15964	10.7
195.17485	5.7
197.13341	5.5
201.12695	6.3
201.16364	13.7
203.17938	21.8
207.11792	6.3
210.15001	12.9
215.17816	5.0
217.19714	4.4
221.08092	9.0
221.19031	7.0
231.17397	6.8
233.19099	5.1
243.13907	5.3
245.19107	7.6
247.06007	9.7
263.20166	7.8
275.20108	5.0
287.20001	9.9
310.73990	13.5
311.20004	9.5
329.21213	13.0
333.30957	4.4
337.09125	14.9
347.22159	17.1
356.15030	4.8
365.23047	11.8
383.09940	12.5
383.14996	10.4
383.24323	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	19.2
55.05514	25.7
57.03437	18.5
57.07084	13.1
57.08930	5.9
59.05003	6.7
67.05510	43.4
69.03439	41.5
69.07075	25.6
70.06593	13.5
71.04998	38.0
71.08604	5.7
71.30137	5.9
73.02908	12.9
73.05462	6.0
79.05493	32.3
81.03427	19.0
81.07060	100.0
83.05004	13.9
83.08632	14.3
85.02909	48.1
86.09716	10.3
91.05474	38.2
93.07061	69.6
95.04986	19.4
95.08603	79.7
97.02898	26.8
97.06547	9.9
97.10170	8.0
99.04453	11.2
99.08139	12.3
101.06824	6.3
103.03989	11.1
103.05490	8.5
105.07047	78.9
107.04931	7.7
107.08578	54.2
109.06566	27.6
109.10165	52.1
110.07218	7.0
111.04478	10.1
115.03936	9.2
117.07022	17.9
118.06581	9.2
119.04966	6.0
119.08585	90.1
121.06528	20.8
121.10162	52.1
122.10363	5.5
123.08100	20.7
123.11723	40.5
125.09653	9.8
127.11248	8.3
128.06209	6.6
129.05487	7.8
129.06992	8.2
131.04962	10.3
131.08548	29.5
133.04977	17.5
133.10132	42.2
135.08081	14.6
135.11681	32.1
136.07611	29.2
136.30563	5.3
137.05974	14.2
137.09630	24.9
137.13205	8.4
139.07642	6.2
141.07060	6.1
142.07860	11.0
143.08582	24.1
145.06543	6.0
145.10133	49.7
147.08098	6.3
147.11729	45.7
149.09575	10.1
149.13289	13.2
150.09131	32.9
151.09523	18.1
151.11282	13.9
155.08572	10.1
157.10129	37.4
159.04510	13.2
159.08109	9.1
159.11668	52.6
160.04782	13.0
161.09648	11.5
161.13283	25.0
163.11176	11.0
169.10130	13.9
171.11737	24.5
173.13306	14.9
174.05559	17.2
175.11235	9.7
175.14851	12.5
177.12785	13.3
177.16254	6.6
181.10049	7.2
181.62019	6.7
183.11729	20.0
185.13309	9.9
187.11098	5.9
189.16403	14.2
191.10727	6.6
197.13286	9.2
201.12819	15.8
201.16467	14.7
202.04948	43.3
203.18042	17.1
213.12695	8.1
215.17978	7.4
219.17580	8.6
220.06007	17.5
221.19020	10.2
231.17650	7.2
233.19057	20.6
245.18997	20.0
287.20041	11.6
299.20288	6.1
311.20139	7.2
329.21191	13.8
337.12537	31.8
347.22275	17.0
360.01141	6.4
361.04105	8.3
365.23163	18.4
378.02130	46.3
383.16568	9.0
383.24475	29.1
396.03235	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
54.15274	5.7
55.01866	10.2
55.05515	24.4
57.03440	13.8
57.07064	5.8
61.02939	7.4
62.78422	4.6
67.05513	29.6
69.03426	41.3
69.07072	22.9
69.16424	31.6
69.16852	11.3
71.01366	7.2
71.04996	57.7
73.02927	13.0
79.05496	35.9
81.03416	21.2
81.07064	100.0
83.04974	17.2
83.08617	10.9
85.02918	51.1
88.43626	5.6
91.05489	33.6
93.07048	67.0
95.04966	25.7
95.08609	76.9
97.02904	28.6
97.06538	17.0
99.04485	8.8
99.08149	8.2
103.03973	14.4
105.07037	73.4
107.04961	11.3
107.08598	66.8
109.02881	6.3
109.06494	12.3
109.10153	54.4
111.04461	17.8
111.08076	9.4
113.91995	5.4
115.03938	9.9
115.70477	4.9
117.07050	17.0
119.08589	99.7
119.36252	5.7
121.06524	19.0
121.10147	70.1
123.04404	12.2
123.08089	15.5
123.11713	26.1
125.09608	10.0
127.03934	13.1
127.11206	25.4
128.06178	9.1
129.07042	7.4
131.04887	8.0
131.08530	34.6
133.06529	6.2
133.10127	53.6
135.08031	7.7
135.11717	35.1
137.06006	9.1
137.09662	22.4
141.07013	5.5
142.07840	11.5
143.08530	32.6
145.10147	48.1
147.08069	5.8
147.11684	51.8
149.09615	8.6
149.13263	16.4
151.07549	8.2
151.11201	9.7
153.12740	6.6
155.08592	10.3
156.09210	7.1
157.10129	41.9
159.06580	7.5
159.11717	51.9
161.09679	11.4
161.13242	21.5
165.09052	6.2
169.10104	9.9
171.11713	25.2
173.13310	21.7
175.11212	10.8
175.14925	10.8
180.09415	6.5
181.10080	9.5
183.11745	15.0
185.13245	8.9
187.11211	7.0
187.14821	11.3
189.09007	5.8
189.12733	10.9
189.16360	32.9
193.15897	7.6
195.17453	8.5
197.13263	13.2
199.09616	6.9
199.14859	16.8
201.12738	12.5
201.16431	15.9
203.14226	6.0
203.17873	11.1
213.12888	6.6
215.18013	6.3
219.17532	6.2
221.19006	9.7
231.17407	7.7
233.19051	17.1
243.13774	7.2
245.19164	12.7
257.57153	5.8
261.14795	8.1
262.06198	11.3
263.20221	11.1
287.20203	8.5
305.21375	6.0
311.20093	12.9
322.08353	5.8
323.09210	13.0
329.21164	16.2
347.22113	13.4
351.08615	26.3
365.23169	18.8
383.10974	12.9
383.15479	10.8
383.24158	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.05497	13.5
57.07073	26.1
58.07396	6.6
59.04998	6.3
62.98262	10.7
65.44186	5.7
67.05505	37.0
69.03423	8.2
69.07079	8.0
71.30137	6.4
71.30570	7.8
79.05498	24.8
81.07053	23.9
87.04437	6.2
89.06039	6.4
91.05472	31.7
93.07052	78.2
95.04973	15.9
95.08614	26.8
97.06503	8.3
105.07041	100.0
106.07375	14.0
107.04963	23.9
107.08566	26.2
108.05325	10.4
109.06527	14.6
109.10139	18.0
119.08609	32.4
121.06520	22.0
121.10158	35.1
122.09670	17.7
123.08064	21.6
123.10027	7.9
129.06989	12.8
131.08578	19.9
133.06505	8.9
133.10150	20.6
135.08069	12.3
137.09659	11.2
142.07750	8.8
143.08580	15.4
145.10117	23.8
147.08046	26.1
147.11636	7.9
149.06042	7.0
149.09613	8.6
151.07567	26.7
156.09296	6.1
157.10123	23.3
159.08058	10.9
161.09625	12.8
161.13257	6.2
163.11201	7.4
165.09116	34.7
173.09618	7.3
175.11124	12.7
185.13237	12.8
187.11121	7.9
189.12759	10.1
191.16051	7.1
203.14290	23.9
207.13626	8.2
221.15375	51.3
257.79477	6.6
270.14825	9.2
271.15320	25.3
299.20065	8.1
326.21222	8.0
327.21521	26.2
342.37109	6.5
383.25726	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34869	6.0
55.05510	16.8
56.66725	5.6
57.07071	11.3
67.05505	36.2
69.03439	6.8
79.05498	28.0
81.07065	26.0
85.06565	6.3
90.12017	5.5
91.05475	46.5
93.07046	100.0
95.04981	23.7
95.08604	38.8
97.06528	14.9
105.07024	72.1
105.07678	8.2
107.08605	36.3
109.06524	19.6
109.10175	26.7
111.08098	6.1
117.07039	11.0
119.08588	48.4
121.06509	7.4
121.10145	36.3
123.08096	20.2
123.09896	5.8
125.45953	6.2
129.07036	7.5
131.08601	16.7
132.76631	5.5
133.10127	30.0
135.08070	16.9
137.09636	16.6
142.07806	17.4
142.17967	5.5
143.08565	24.2
144.09305	10.1
145.10123	29.8
147.08028	20.4
147.11691	10.4
149.09569	12.9
151.07571	34.5
156.09285	6.0
157.10126	38.8
159.11710	15.7
161.09656	18.3
161.13287	12.8
165.09134	44.9
169.10091	9.2
170.10869	8.7
171.11671	8.0
173.13268	10.5
175.11249	13.9
177.09105	7.3
183.11766	7.2
185.13295	16.6
189.12737	10.2
197.13402	5.7
201.12799	6.2
203.14355	28.9
207.13858	17.7
213.12857	8.0
221.15361	84.5
303.19556	7.9
337.21442	8.4
338.20691	7.9
365.21182	31.8
365.24954	8.5
383.20441	76.2
383.25797	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
53.68524	6.8
55.01870	5.8
55.05515	15.8
56.13285	5.3
57.07067	19.7
57.57289	5.4
59.05016	6.5
67.05511	50.6
69.03432	15.7
69.07080	15.2
69.33032	32.1
73.44712	6.1
79.05502	37.4
81.07062	32.9
83.04980	8.6
83.08641	5.5
91.05499	52.9
93.07056	100.0
95.04975	21.6
95.08609	53.9
97.06555	11.0
105.07038	75.6
105.07700	8.7
107.08622	45.0
108.25095	5.4
109.06519	32.6
109.10161	41.4
111.08066	9.9
117.07029	10.6
119.08582	78.3
121.06540	24.4
121.10175	48.6
123.08046	36.0
128.06239	7.0
129.07031	13.8
130.07825	6.2
131.08598	24.8
133.10127	27.2
135.08060	29.5
137.09647	18.9
141.06972	8.0
142.07805	22.4
143.08577	30.5
145.10141	42.5
147.08066	24.3
147.11650	17.6
149.09668	17.2
151.07536	45.0
157.10170	45.6
159.08043	6.7
159.11716	18.5
161.09662	24.3
161.13347	6.8
163.11211	10.0
165.09148	49.6
170.10876	10.3
170.27275	5.1
171.11720	8.8
173.09627	7.9
175.11212	22.6
177.09169	7.3
183.11745	8.6
185.13327	16.7
186.70126	5.5
189.12720	12.4
199.15022	7.5
203.14381	36.7
207.13882	10.2
209.13397	6.3
221.15392	84.2
229.78090	5.5
234.16225	9.2
239.17938	6.7
277.00143	5.6
286.19330	7.0
299.20288	6.6
303.19565	6.7
325.91266	6.0
365.20898	13.1
383.20621	19.5
383.25854	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35495	12.3
55.05520	25.0
57.07076	20.3
57.20009	14.4
67.05509	52.5
69.61725	76.9
79.05495	37.3
81.07068	36.4
91.05485	55.1
93.07060	100.0
95.04970	29.7
95.08605	52.5
96.92854	14.4
98.23315	26.6
105.07043	89.3
107.08595	50.3
109.06514	16.8
109.10172	22.1
119.08557	66.5
121.10181	45.2
123.08085	39.6
131.08603	30.1
133.10104	29.7
135.08093	25.5
143.08591	24.1
145.10173	32.8
147.08041	25.2
147.11682	30.7
151.07565	77.7
157.10150	53.8
161.09616	16.2
165.09138	26.5
175.11284	18.1
177.09047	26.7
185.13310	24.9
187.11302	15.8
203.14334	36.2
207.13788	20.6
221.15393	58.3
383.18192	29.3
383.25677	88.8
383.29947	16.9
383.37000	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	5.2
55.01858	3.9
55.05504	15.6
57.07064	9.5
59.04991	5.2
62.98261	4.4
65.03948	4.8
67.05507	31.0
69.03419	12.9
69.07076	10.2
70.35164	11.0
71.04997	4.0
72.35910	2.9
77.62677	3.6
79.05491	27.9
81.07055	37.3
83.04996	4.8
85.06538	4.9
85.16512	3.5
91.05488	52.8
93.06475	5.9
93.07047	96.4
94.07378	3.3
95.04978	22.9
95.08614	42.0
97.06547	9.3
100.95496	3.8
103.05433	3.9
105.07035	79.0
107.08590	43.7
109.06492	26.9
109.10152	24.6
111.08074	6.9
117.07018	12.3
119.08584	62.0
121.06514	15.0
121.10149	39.5
123.08065	32.5
123.11691	4.8
128.06213	9.9
129.06985	10.1
130.07793	3.4
131.08585	25.0
133.06509	11.2
133.10129	34.3
135.08037	25.2
135.11681	6.5
137.09618	12.6
142.07779	27.6
143.08571	22.6
145.10121	36.6
147.08037	30.2
147.11687	12.9
148.08597	4.6
149.09644	16.2
151.07552	39.2
155.08495	7.9
156.09372	7.8
157.10130	40.8
159.08109	9.4
159.11681	15.1
161.09639	23.5
161.13255	10.3
163.11182	9.1
165.09106	47.0
169.10138	7.8
171.11693	11.6
173.09625	11.3
173.13264	10.7
175.11195	17.9
175.14839	10.0
177.09058	11.6
180.40381	3.4
181.10139	4.6
183.11601	5.1
185.13283	17.7
187.11320	5.5
189.12761	10.7
194.10948	4.7
195.11728	4.0
197.13266	5.1
201.12823	6.9
203.14330	39.7
207.13788	11.6
209.15265	5.1
215.14320	6.2
221.13284	3.3
221.15353	100.0
222.15761	6.8
225.16299	5.8
227.14313	7.9
233.15439	4.3
241.15837	4.0
287.20169	5.9
299.19916	6.0
303.19568	6.2
352.67987	3.7
365.24707	14.5
383.25793	51.2
384.26080	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	383.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54794	0.4
69.06143	0.9
69.06562	2.4
91.05470	0.4
98.23299	0.8
101.38388	0.4
103.56771	0.4
105.07101	0.4
119.08611	0.5
121.06516	1.4
140.46832	0.3
165.06920	0.4
187.11838	0.4
217.19792	0.4
273.09305	0.4
276.07855	0.4
277.08621	0.4
305.07922	0.5
307.09604	0.6
353.26700	1.3
383.11142	1.9
383.27713	100.0
384.28073	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	383.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97641	0.4
55.05510	0.5
58.79236	0.4
61.62059	0.5
67.05488	1.2
79.05484	0.7
81.03411	0.6
81.07072	1.0
86.69291	0.5
93.07028	0.6
98.23467	1.0
105.07045	1.0
109.10146	0.7
133.10121	0.6
145.10115	0.5
182.15369	0.5
295.23627	0.6
353.26593	0.6
383.27682	100.0
384.28027	8.4
395.64264	0.5
395.82922	0.4
409.77808	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	384.1149
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
50.30389	0.3
55.01849	1.3
56.96538	0.4
57.03439	2.9
60.92666	0.2
64.25011	0.3
67.02217	0.3
69.03430	1.4
69.22050	2.1
70.02943	0.3
70.06593	5.7
71.01332	1.3
71.06905	0.5
73.02898	1.3
84.08137	0.7
85.02920	1.6
87.04447	0.5
97.02877	0.6
99.00865	0.3
110.07178	1.8
115.03924	0.7
116.07064	1.1
119.03526	0.7
121.05105	1.8
121.06483	0.5
129.10248	0.7
133.04932	0.4
133.73349	0.3
134.02637	0.4
135.06651	1.9
136.06184	17.4
137.04568	1.1
148.06181	8.2
155.05629	0.6
160.06207	0.8
162.05527	1.0
162.07751	34.9
163.08060	1.2
170.09233	1.1
188.05672	13.1
189.06039	0.6
192.05162	17.6
193.05374	0.4
206.06743	6.6
213.12370	2.4
214.12694	2.3
216.05206	0.5
234.06230	11.4
252.07278	100.0
253.07524	5.3
290.83005	0.3
312.61252	0.3
384.11481	21.3
385.11722	1.6
388.87033	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	384.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
60.99035	0.2
67.05477	0.2
70.06596	1.3
71.17879	0.4
85.02854	0.3
85.04044	0.5
91.05476	0.7
97.01115	0.4
99.02689	0.4
99.05583	0.8
106.58441	0.2
110.07217	0.3
118.06532	0.4
119.04966	0.3
121.06479	0.2
126.03747	0.3
128.05284	0.2
130.04970	0.2
130.06526	0.4
131.04529	0.4
131.07283	0.3
132.04433	0.3
132.08096	1.1
133.08876	0.5
134.09612	0.4
136.02147	0.4
136.07553	0.9
145.06079	0.8
148.07587	0.3
150.03738	0.3
154.03218	0.2
156.04785	1.3
158.06006	0.5
159.10216	0.2
162.05502	0.7
162.09137	1.5
164.05298	4.0
165.05960	0.3
166.06857	0.3
175.08684	0.6
176.07089	0.4
177.03288	0.7
177.07870	1.8
178.08516	0.3
178.14470	0.3
180.04796	0.8
182.02707	0.6
182.06374	1.3
185.08385	0.7
192.04849	0.6
193.05568	1.1
194.06360	1.1
203.08139	0.2
207.08884	0.8
208.09665	4.5
209.10066	0.3
210.05852	6.6
211.06137	0.3
218.06357	1.6
221.09268	0.6
229.11861	0.7
238.05322	100.0
239.05637	5.5
240.06886	10.8
240.09358	0.4
246.05908	0.5
247.10927	0.3
248.73499	0.2
263.08435	2.5
264.06876	1.3
281.09555	3.7
282.09973	0.3
292.06409	0.6
366.11185	9.3
367.09500	7.3
368.09738	0.4
384.12207	3.8
385.14038	0.4
387.61691	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	384.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
65.03957	1.2
68.05057	1.6
69.03432	0.7
69.36509	2.1
69.36913	1.4
70.06596	100.0
71.06940	1.5
81.07085	0.7
83.08630	0.8
85.02899	1.3
86.06059	3.1
86.09717	8.2
87.04526	0.6
91.05489	2.7
92.05026	2.3
95.05005	0.7
97.02939	1.1
98.18298	0.6
109.02856	0.7
110.07166	0.8
120.04469	18.8
121.04879	0.8
121.06496	1.2
127.08665	0.9
128.10735	2.7
132.06570	16.0
136.07631	0.8
156.10207	0.9
175.08704	0.9
194.08333	1.1
198.05522	1.3
201.05426	1.4
229.11842	57.8
230.12149	1.8
238.05338	2.8
303.01324	0.7
308.21939	0.8
322.61719	0.7
385.14465	1.3
385.18842	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	384.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94004	1.3
57.07074	29.8
59.17370	0.9
65.36110	0.8
66.84441	0.9
69.03430	1.3
70.06593	3.8
71.29177	1.3
74.09718	100.0
75.10044	1.9
81.03410	1.1
84.04459	1.1
85.02904	1.2
86.09698	1.7
86.29528	1.0
88.02225	2.3
93.40709	1.0
94.39564	0.8
97.02869	1.1
106.13362	0.9
110.07171	11.6
117.28712	0.8
121.06510	12.1
134.02734	3.6
136.06174	5.8
136.07642	1.1
138.09163	3.2
153.01799	1.7
156.07666	4.7
213.97424	1.2
239.95555	1.7
257.96838	1.2
263.95715	1.2
299.97842	1.1
383.99591	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	384.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08807	0.4
70.06591	1.8
71.08633	20.4
71.28583	0.4
72.08987	0.4
73.02895	0.4
74.06084	0.4
81.03408	0.4
83.06081	0.5
86.09718	1.4
88.11272	100.0
89.11023	0.5
89.11607	2.2
93.04576	0.5
109.02950	0.6
110.07168	6.0
111.07463	0.4
116.54469	0.4
121.06527	3.4
130.06523	0.7
138.09192	0.5
145.07443	0.4
156.07698	1.9
157.07683	0.5
158.06061	0.6
158.08014	1.1
158.16980	0.4
170.09227	4.6
176.09033	0.6
203.08197	0.6
204.08476	1.4
218.09988	0.7
222.03998	0.5
237.54364	0.4
246.09540	0.6
283.17798	0.5
298.48672	0.4
328.17227	0.4
335.22452	0.5
349.11420	0.4
379.01312	0.8
385.25308	0.9
387.40900	0.5
402.13739	0.4
403.01276	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	385.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01883	1.0
56.05039	3.4
64.11702	0.5
65.03955	0.5
67.05505	1.1
68.01384	1.0
68.99791	2.6
69.03403	0.6
69.16631	4.2
77.03925	0.6
79.05488	1.3
89.03881	0.6
91.05471	1.6
93.07076	0.5
95.02454	14.0
95.04985	1.2
101.02360	0.6
105.03390	1.8
105.04472	0.6
105.07032	1.0
107.04963	1.8
111.00823	3.5
113.03495	54.6
114.03803	1.0
115.05460	0.9
117.03356	0.5
117.07058	0.9
118.06528	0.9
119.04948	0.8
121.02881	0.6
121.06509	1.8
123.04436	100.0
124.04713	2.4
127.03946	0.6
130.06625	0.7
133.06387	0.6
135.04437	10.1
137.02299	0.6
137.05980	0.6
139.03903	24.6
145.06511	1.4
147.04416	13.2
148.04805	0.9
151.03943	2.8
156.06656	1.1
157.06494	0.6
158.03606	1.3
160.07628	0.8
161.05951	1.4
163.03864	2.6
163.07524	2.4
167.07060	5.4
173.06023	1.5
181.08609	1.5
185.05997	0.6
189.05470	2.2
189.06984	0.7
193.08566	1.0
199.07564	1.1
201.05449	10.2
203.05287	1.5
203.07007	0.6
205.12148	0.7
206.08168	2.6
207.96002	0.7
217.08638	1.1
218.07288	0.7
223.13115	1.0
224.08652	0.5
227.07097	0.9
229.06131	0.7
231.06458	0.7
231.10158	0.7
233.05663	0.6
235.07408	0.6
247.07155	9.0
255.06633	1.4
259.07434	0.5
265.77112	0.5
273.07587	34.6
274.07935	2.7
277.18015	0.5
310.34027	0.6
385.18375	52.7
386.18723	2.9
391.46457	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	385.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
56.05039	100.0
57.03427	0.8
57.05382	1.9
57.07071	0.6
61.01156	4.9
68.99778	0.9
69.49205	4.0
70.06580	0.9
73.02921	2.5
74.02466	3.6
75.02720	1.5
79.05469	0.8
91.05486	1.6
91.81735	0.6
93.07085	0.7
94.46253	0.7
95.02470	2.5
95.04979	0.9
100.03993	4.3
101.02383	19.0
110.06049	1.6
111.00836	1.0
113.03494	12.4
119.04937	0.9
120.04501	0.7
121.06506	0.7
123.04436	20.7
123.05312	1.2
124.04788	0.7
126.05534	3.6
132.04497	1.5
132.05673	0.7
133.06522	0.9
135.04456	1.8
138.05499	10.7
139.03940	4.2
139.05811	0.9
145.06548	0.7
146.06021	1.3
147.04465	4.0
148.04245	1.6
149.02725	2.4
151.03934	1.4
156.06566	70.6
157.06911	2.4
161.06024	1.0
163.03990	0.8
166.05354	5.3
167.07063	3.9
174.05518	9.7
177.05571	0.9
181.08694	0.9
184.06059	12.2
184.07541	1.1
189.05609	0.9
201.05505	2.8
202.04996	17.7
203.05417	0.9
206.08180	2.9
220.06108	4.5
230.04846	1.3
247.07283	3.1
248.05891	34.0
249.06284	2.2
273.07645	7.4
303.09854	1.0
305.69598	0.7
349.07318	0.8
367.09772	0.8
385.14383	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	385.1281
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01872	2.8
60.73622	0.8
65.03940	2.3
66.40981	0.7
67.05502	0.8
69.59816	1.5
69.60216	2.6
79.05497	2.8
85.02888	1.4
91.05463	3.7
93.03407	0.7
95.04966	1.4
101.03252	0.8
103.05468	8.7
105.03436	0.8
105.07043	0.8
107.04947	3.6
110.03656	1.7
111.04431	1.4
115.05437	1.5
117.07005	1.1
119.29351	0.6
120.08102	9.1
121.02877	0.7
121.06522	2.7
122.13377	0.9
125.06002	1.7
129.07022	1.5
131.04942	4.1
132.04478	1.0
135.04407	0.7
136.03279	0.7
136.46623	0.9
137.05997	2.4
141.07007	0.8
145.06499	1.8
146.06042	2.5
146.07246	0.8
147.04393	1.3
149.05963	0.8
151.03932	3.6
152.06160	1.2
153.05473	2.9
153.06859	0.7
156.08089	2.9
157.06503	2.0
161.06059	0.8
165.06961	4.2
166.07712	0.9
167.07062	2.0
167.08507	1.0
169.06479	0.9
174.05565	3.0
174.09119	4.3
175.07513	1.2
177.06984	1.3
178.07814	3.1
179.08575	2.5
181.05011	1.3
181.06523	2.6
182.07289	0.9
184.07576	5.3
185.05920	1.6
187.07521	0.9
189.05547	0.9
189.07062	2.0
190.07756	1.8
191.08562	2.5
192.09283	0.9
193.05028	0.9
193.06631	1.4
194.07271	2.9
195.08061	3.0
195.78476	0.7
197.09573	1.2
198.06731	0.8
201.05426	1.7
202.04999	9.0
202.08643	31.7
203.05244	0.9
203.08754	2.7
205.06529	3.3
206.07266	2.0
207.08078	4.2
208.08852	1.6
209.06006	1.9
209.09570	1.7
210.06804	1.8
211.07649	3.5
213.09161	0.7
218.07289	2.8
219.08041	5.1
220.06010	2.5
220.08751	1.7
221.05986	4.0
221.09560	1.9
222.06786	3.1
223.07555	3.7
224.08324	3.8
224.97908	0.7
225.05559	0.8
225.09129	3.1
226.06293	0.9
227.06917	1.0
227.10591	0.8
230.08078	4.8
231.06375	1.6
232.08864	1.2
233.06062	0.9
233.09641	1.2
234.06819	2.7
235.07530	7.9
236.08333	3.4
237.05597	0.9
237.09036	3.9
238.06245	1.9
238.09703	0.8
239.07022	2.9
239.10655	1.2
240.07811	0.9
241.08572	0.8
245.06094	0.8
246.06828	1.5
247.07503	4.9
248.09225	15.9
249.05435	1.4
249.09418	3.9
250.06271	2.7
250.09961	1.2
251.07069	5.3
251.10693	1.5
252.07814	2.9
253.08598	3.9
254.09378	2.0
255.10126	1.3
261.09061	1.8
262.06293	1.3
263.07205	3.7
263.10178	0.7
264.07813	3.4
265.08652	7.6
266.09396	1.8
267.06641	1.8
267.10168	3.8
268.07394	1.3
269.08127	1.1
269.11588	1.0
271.09436	0.8
274.06357	1.5
275.07025	1.9
276.07837	1.8
277.05276	0.9
277.08630	3.8
278.09344	1.8
279.06622	2.1
279.10202	5.5
280.07358	1.7
280.10641	0.9
281.08157	4.0
281.11386	0.9
282.09006	1.7
283.09790	2.1
289.08722	0.8
291.06897	0.9
291.10223	1.2
292.07285	1.7
293.08096	2.1
294.08688	2.1
295.09573	5.5
296.10260	1.8
297.11270	2.4
298.11722	0.9
299.09045	1.2
305.08298	0.9
306.09003	0.8
307.06055	1.5
307.09628	29.1
308.06927	0.8
308.10080	3.6
309.08041	1.0
309.11032	3.8
310.08606	1.6
311.09344	1.1
311.12839	0.8
313.10849	2.0
323.09171	6.3
325.10727	6.8
326.11514	1.0
337.10724	2.3
339.12238	3.3
353.10098	1.1
355.11752	2.6
357.13330	1.6
367.11798	2.0
385.12823	100.0
385.29218	3.1
386.13171	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	385.1283
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03953	0.9
55.01870	4.0
61.38380	0.8
62.22359	0.8
65.03931	1.6
66.48315	0.8
69.03436	1.1
79.05498	2.3
85.02909	1.6
91.05490	4.9
95.04977	1.1
100.11262	1.2
103.05468	5.2
105.03448	1.0
105.07023	1.2
107.04978	3.3
110.03664	2.2
111.04475	1.7
115.05444	1.3
117.07002	1.0
119.04947	1.4
120.08100	4.1
121.02899	1.2
121.06496	3.0
123.04408	1.2
125.06013	2.8
129.06981	0.8
131.04947	3.4
132.05753	1.2
133.02904	0.8
133.06519	1.3
135.04410	0.9
135.14476	0.7
137.00368	0.8
137.06006	3.2
143.04971	0.8
145.05305	0.8
145.06490	1.8
147.04451	0.9
149.02412	1.3
151.03923	1.7
151.07530	1.7
152.06277	1.0
153.05493	3.2
153.07027	1.4
156.08090	1.5
157.06502	1.3
159.08107	1.7
161.06007	2.2
163.03954	0.9
165.06978	3.8
165.37306	0.8
167.07065	2.8
167.08534	1.6
170.15396	1.8
171.08041	0.8
173.06071	1.7
174.05547	2.3
174.09128	1.8
177.05537	1.6
177.06981	1.1
178.07835	2.8
179.08534	3.0
181.04944	2.7
181.06503	2.6
181.08519	1.1
183.07962	1.3
184.07579	1.1
185.06058	1.0
187.07538	1.8
189.07074	1.4
190.07776	2.4
191.07022	1.9
191.08582	3.5
193.04898	1.2
193.06523	1.5
194.07298	2.6
195.08046	1.7
196.05252	1.1
197.06035	1.2
198.06812	1.7
198.14957	1.1
199.07515	1.5
201.05440	4.5
202.05020	4.6
202.08694	14.4
203.05338	1.4
203.08687	1.6
205.06560	2.1
206.07314	2.8
207.08102	4.9
208.08844	2.3
209.06085	2.2
209.09619	2.4
210.06776	1.0
211.07603	3.0
212.08231	1.0
213.05492	1.6
213.09190	0.8
213.23378	0.8
217.06621	0.9
217.08626	1.6
218.07298	2.4
219.08073	4.5
220.08789	1.9
221.05960	3.9
221.09567	1.4
222.06815	3.5
223.07617	3.9
224.08304	2.3
225.09145	3.1
227.07301	1.1
230.08131	2.7
231.06444	2.2
231.08400	1.1
232.08832	1.7
233.09676	1.2
234.06799	2.6
235.07509	9.6
236.08260	4.1
237.05492	1.9
237.09146	4.1
238.06255	1.8
238.09790	1.0
239.07004	2.1
241.08551	1.2
246.06694	1.2
247.07538	4.6
248.09175	8.0
249.05453	2.5
249.09125	3.2
250.06258	1.6
250.09891	1.8
251.06989	5.8
251.10692	1.0
252.07765	3.3
253.08588	2.9
254.09229	1.8
255.10182	1.4
259.07632	1.0
261.05502	0.8
261.09189	1.5
262.06192	1.9
263.07092	3.8
264.07919	3.7
265.05554	1.4
265.08585	7.7
266.09296	2.8
267.06613	1.8
267.10165	4.8
268.07358	1.8
268.10559	0.8
269.08054	1.4
271.09601	1.4
274.06143	1.5
275.07089	2.3
276.07819	1.6
277.08597	3.0
278.09323	2.3
279.06595	2.2
279.10239	5.6
280.10873	1.3
281.08139	3.4
282.08969	1.6
283.09460	1.8
291.06516	1.4
291.10065	0.9
292.07327	2.8
293.08041	4.0
294.08685	1.6
295.06549	1.0
295.09656	5.2
296.10287	1.1
297.11279	2.1
303.06744	0.9
305.08282	1.1
307.09650	22.4
308.10324	2.0
309.07742	1.5
309.11252	3.0
310.08386	1.7
311.09137	1.1
313.10706	1.5
322.08258	1.3
323.09167	8.1
324.09647	1.3
325.10623	6.5
326.11102	1.0
327.12238	1.4
335.09219	1.7
337.10648	2.2
339.12329	3.3
351.33911	0.8
355.11914	4.2
357.13312	3.2
367.11758	2.9
385.12823	100.0
386.13107	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	385.1282
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
51.00774	0.6
53.03951	0.7
55.01867	3.8
55.05521	1.1
65.03938	2.7
67.05515	2.0
69.29891	2.4
73.44637	0.7
79.05505	2.8
81.07064	1.4
83.31809	0.6
85.02911	0.9
91.05489	3.7
92.92574	0.6
93.03430	0.8
93.07066	1.2
95.04979	2.2
98.23388	1.4
101.49190	0.8
103.05486	2.9
105.03293	0.6
105.07055	1.2
107.04980	1.8
107.08638	0.9
110.03686	1.9
111.04478	1.8
113.44287	0.6
115.05484	1.9
117.06975	0.9
119.04942	1.6
120.08141	1.3
121.02903	2.5
121.06532	1.9
123.04443	1.1
123.08051	0.8
125.06001	2.7
128.06271	1.1
129.07048	1.1
131.04947	1.9
133.06479	1.3
135.04465	0.9
135.08124	0.7
137.06003	1.3
141.06999	0.9
144.05750	0.7
145.06526	2.7
147.04424	1.3
148.05122	0.7
149.02338	8.8
149.03445	0.7
151.03934	2.7
151.07541	1.5
152.06216	0.9
153.05505	4.3
153.06967	1.0
154.07776	0.8
155.04915	0.7
157.06506	0.8
159.04488	0.8
159.08072	1.1
161.05931	1.2
165.05638	1.5
165.07037	4.8
166.07773	1.5
167.07141	1.3
167.08557	1.8
169.06534	1.2
171.37305	0.8
173.05968	1.3
175.03883	1.0
175.07555	1.4
177.06943	1.1
178.07794	3.8
179.08566	4.1
181.04970	3.1
181.06549	3.2
182.07265	0.9
183.08011	0.7
185.06035	0.8
189.07057	2.5
190.07764	3.0
191.08606	3.1
192.09378	1.0
193.04987	4.2
193.06581	2.1
193.12297	1.5
194.07274	3.8
195.08116	3.0
196.05194	0.8
196.08833	0.7
197.05972	1.1
197.09659	1.1
198.06717	0.9
199.07594	0.9
199.11357	0.9
201.05554	2.8
202.05066	1.0
202.08566	3.2
203.08591	2.1
204.09500	0.7
205.06497	3.9
206.07295	3.1
207.08095	6.1
208.05196	1.4
208.08812	2.2
209.06010	2.1
209.09601	1.8
210.06815	1.6
211.07626	4.0
212.08423	0.8
213.05374	0.7
217.06604	0.8
217.08644	0.9
218.07306	4.1
219.08134	5.7
220.05357	1.1
220.08862	2.2
221.06020	4.2
221.09651	1.5
222.06712	3.5
223.07529	4.0
224.08347	2.8
225.05492	1.2
225.09175	2.6
226.06285	0.8
227.06978	1.1
228.07481	0.8
230.08150	1.2
231.08110	2.1
232.08839	0.9
233.06058	1.7
233.09595	1.1
234.06717	3.3
235.07574	9.3
236.04716	0.9
236.08261	3.8
237.05493	1.4
237.09097	5.3
238.06187	2.1
238.09821	1.0
239.07063	3.1
239.10747	1.2
240.07776	1.5
241.08565	1.1
245.05864	0.8
246.06804	2.1
247.07574	3.9
248.08778	2.5
249.05490	2.4
249.09195	4.0
250.06284	2.7
250.09886	1.4
251.07091	7.4
251.10640	1.4
252.07825	5.1
253.08614	3.8
254.09409	1.5
255.10010	1.3
261.09116	1.1
262.06268	1.5
263.07025	4.9
263.10727	0.8
264.07870	4.5
265.05499	0.9
265.08609	7.0
266.05688	0.8
266.09131	1.5
267.06653	1.8
267.10187	4.4
268.07364	1.5
268.10541	0.9
269.08170	1.3
269.11682	0.8
271.09738	1.1
273.05634	1.0
274.06116	1.0
275.07092	1.7
276.07895	2.2
277.08551	3.2
278.06039	0.8
278.09421	2.3
279.06564	1.8
279.10214	5.3
280.07333	1.7
280.10336	0.8
281.08096	4.4
281.11121	0.6
282.08841	2.3
283.09692	1.5
291.06650	0.7
292.07324	2.1
293.08099	2.6
294.08807	1.9
295.09656	6.0
296.10352	1.4
297.11121	1.7
299.09091	0.8
305.08081	1.1
306.08755	1.0
307.06061	1.4
307.09647	23.9
308.10071	3.2
309.07916	1.2
309.11066	3.5
310.08392	1.0
311.09265	1.0
313.10834	1.4
323.09155	11.5
324.09674	2.3
325.10818	6.3
326.11484	1.1
327.12372	2.8
329.13870	0.8
335.09106	1.7
336.10089	0.8
337.10693	2.3
338.11493	0.8
339.12277	3.4
339.23206	0.7
340.09427	0.8
341.06693	0.9
353.10327	1.2
354.10910	0.7
355.11804	7.6
356.12115	1.3
357.13348	3.4
359.07782	0.8
367.11887	1.8
367.22745	1.7
385.12872	100.0
385.23340	8.7
386.13193	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	385.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
54.03474	0.2
55.01625	0.5
55.01868	7.7
55.83015	0.2
63.29674	0.2
65.83607	0.2
67.46391	0.2
70.06765	0.3
70.07115	0.7
74.44848	0.2
77.03918	0.3
79.05487	3.1
82.02937	0.7
83.91692	0.2
91.05481	7.2
92.05807	0.2
93.07061	0.8
95.04962	0.6
100.03974	1.6
103.05471	31.3
104.05804	1.0
105.07075	0.3
107.04957	7.1
111.63542	0.3
113.91754	0.2
115.05451	0.3
118.06510	1.4
120.04462	0.9
120.08109	34.3
121.06514	1.5
121.08422	1.2
129.07019	4.0
130.06511	0.6
131.04936	10.1
131.08559	2.1
132.04445	2.9
132.08098	1.4
133.06557	0.5
133.75552	0.2
142.06519	0.4
146.02420	0.4
146.06009	6.0
146.09673	1.3
149.05960	3.3
152.17024	0.3
156.04439	0.4
156.08095	9.9
157.06503	4.5
157.08472	0.7
159.08055	0.4
160.07568	0.7
166.08659	0.9
166.86565	0.3
174.05518	16.4
174.09140	11.3
174.10689	0.4
175.05946	0.6
175.09512	0.6
184.07591	13.9
185.05980	1.4
185.07851	0.6
202.05013	29.4
202.08629	100.0
203.05333	0.8
203.08978	4.6
205.11938	0.2
220.06058	9.3
220.09447	0.4
221.06374	0.4
230.08134	17.6
231.08478	1.0
248.09178	46.6
249.09467	2.3
270.98630	0.3
367.12518	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	385.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32212	0.6
55.01870	6.9
61.05406	0.8
67.42245	0.6
69.30748	4.8
69.35831	0.6
79.05492	2.4
81.07025	0.7
82.02934	0.6
84.20839	0.7
84.80586	0.7
89.55547	0.8
91.05473	7.0
93.07043	1.0
95.04975	0.9
100.04003	1.2
103.05469	25.0
107.04952	7.0
118.06603	0.9
119.04989	0.8
120.04468	0.8
120.08104	26.8
121.06521	2.3
129.06984	3.1
131.04922	10.6
131.08566	2.3
131.55997	0.8
132.04460	2.3
133.06479	0.9
137.05937	1.0
145.02957	0.7
146.06027	6.3
147.04411	0.8
149.05992	2.9
156.08102	8.6
157.06494	4.9
167.07066	1.1
174.05518	13.6
174.09137	9.6
175.05956	0.7
184.07574	14.1
185.05975	1.9
185.07837	1.3
202.05014	29.3
202.08629	100.0
203.05328	1.5
203.07242	1.3
203.08946	5.3
207.77486	0.7
220.06038	10.4
223.13190	0.7
230.08115	17.1
248.09189	46.6
249.09543	2.4
341.19519	1.4
385.13724	1.2
385.18341	10.6
385.72815	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	385.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70143	0.6
51.05780	0.7
52.13424	0.7
52.46889	0.6
52.56728	0.6
52.88938	0.7
67.05465	0.7
69.03416	2.1
69.89976	2.2
70.06594	0.8
76.02231	0.8
79.05516	0.8
86.09674	0.8
87.29227	0.6
91.05481	1.5
93.07066	0.9
105.07005	0.7
109.10167	0.7
117.07002	3.7
121.06474	0.9
139.11098	0.8
151.47719	0.7
166.74315	0.7
167.07094	1.2
181.08600	1.4
184.11310	1.2
185.04237	3.4
185.11668	1.4
213.11047	2.2
223.09416	100.0
224.09749	4.1
277.08527	0.8
361.02316	4.5
368.11206	3.1
379.03406	2.0
385.14633	55.1
386.15073	4.1
395.82010	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	385.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
56.05037	16.5
61.02940	1.2
67.05489	1.2
69.03426	3.2
69.34187	1.1
70.06594	45.1
71.06923	1.4
71.29971	1.4
72.08145	4.6
74.44547	1.0
79.05479	1.8
81.03420	2.7
84.04514	1.2
85.02920	8.0
86.09708	12.3
87.10043	1.2
91.05443	2.6
91.25427	0.9
93.07084	1.2
93.57678	1.1
95.04967	1.2
96.43456	0.9
97.02892	3.2
101.02382	3.9
105.07053	1.8
107.04974	1.3
110.07172	2.8
113.03497	4.4
115.05450	2.4
116.07096	4.0
117.07044	1.9
118.06545	33.8
119.04923	1.5
119.06911	1.0
123.04424	8.6
126.05492	1.0
127.03929	1.9
130.06538	24.5
131.07304	1.9
132.08096	7.1
135.04416	1.6
138.05508	1.9
139.03943	2.7
142.06528	2.1
144.08093	5.1
145.04938	1.7
145.06497	1.2
146.06006	20.1
147.04449	2.7
153.01872	1.7
156.06584	11.2
156.07849	2.0
158.03677	2.1
159.00327	1.1
160.07585	30.3
161.08018	1.2
167.07027	2.4
169.09753	2.0
170.06013	13.5
173.05998	3.7
174.05455	1.3
184.06087	2.6
186.03168	2.4
188.07074	27.9
201.05476	28.3
202.05299	1.8
205.12201	2.6
206.08131	100.0
207.08423	2.9
213.05629	1.6
213.12311	6.9
215.13821	1.2
219.39575	1.0
223.09521	1.7
223.13060	1.8
229.11882	3.6
229.15433	2.3
230.12120	1.5
231.09753	7.2
243.11862	1.1
247.07062	1.8
248.05843	5.0
248.09123	2.0
267.09924	1.1
273.07590	4.2
287.26236	1.0
311.84277	1.0
322.96790	1.1
353.10266	2.5
385.05472	4.0
385.18402	26.7
386.22906	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06619	0.6
71.29998	1.0
71.44687	0.5
79.05478	0.7
81.03425	0.6
81.07048	0.6
91.05488	1.3
93.07060	0.6
95.93143	0.6
103.05451	2.8
107.04954	1.2
120.08118	2.8
121.06494	1.7
124.05246	1.0
131.04926	1.4
167.07051	1.2
169.37936	0.6
174.05464	1.3
177.05481	0.7
184.07533	1.3
185.04276	0.6
192.58200	0.5
201.05522	1.1
202.04964	2.6
202.08606	6.1
203.05383	0.6
203.07118	0.7
215.56412	0.6
223.13136	1.4
230.08176	2.0
231.06528	0.6
248.09247	4.0
249.07498	0.7
283.14026	0.8
325.10629	0.9
341.19394	20.1
342.19769	1.5
353.10260	1.3
385.18350	100.0
386.18912	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	385.1833
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
57.50459	0.3
59.75835	0.3
64.01360	0.4
71.19496	0.3
73.25185	0.3
79.05486	0.8
91.05480	1.2
93.07036	1.3
95.01261	0.3
95.04993	0.5
103.05481	1.2
105.07050	0.6
107.04953	1.0
117.03374	0.5
119.04887	0.4
119.08608	0.6
121.06512	5.7
123.04425	0.6
124.05338	0.4
128.33424	0.3
131.04942	0.5
133.06461	0.4
135.11691	0.3
137.05984	0.7
139.03929	0.5
145.02837	0.7
147.04407	0.5
149.06027	0.6
160.72949	0.4
161.02188	0.4
162.03117	0.9
167.06998	3.8
173.06003	0.3
175.04022	0.5
175.07526	0.4
177.05504	1.1
181.08565	0.5
185.04309	0.4
191.07011	0.4
201.05510	0.9
203.03378	0.8
203.07043	1.0
205.04945	1.9
213.05499	0.6
219.08151	0.4
221.04396	5.0
223.09402	1.0
223.13118	0.8
231.06425	0.9
247.07579	0.6
249.03795	0.6
263.07193	0.4
279.10352	0.4
282.87616	0.4
293.08188	0.7
307.09622	0.5
317.12595	0.4
321.07465	0.5
321.11002	0.5
323.08942	0.3
353.10159	0.9
358.13046	0.4
367.11862	0.6
385.18332	100.0
386.12891	0.6
386.18677	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	385.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61142	0.6
52.54012	0.5
53.03904	0.6
55.01866	7.2
66.42553	0.5
69.59537	2.2
79.05489	3.3
81.07034	0.9
82.02921	0.9
91.05477	6.7
93.07022	1.3
95.04956	0.6
98.23298	1.0
100.03957	1.6
103.05473	27.0
104.05788	0.9
105.07031	0.7
107.04963	6.7
107.44492	0.5
108.24670	0.5
115.05447	0.6
118.06535	1.8
120.04512	0.7
120.08109	30.2
121.06488	2.4
121.08422	1.6
129.07001	2.2
131.04941	11.1
131.08534	1.9
132.04445	2.1
132.05322	0.6
132.08064	0.8
133.06477	0.8
137.05969	1.1
146.06018	5.6
146.09637	0.7
147.04465	1.1
147.06313	0.7
149.06001	3.1
156.04390	0.7
156.08096	10.9
157.06468	3.7
158.06886	0.8
158.67628	0.5
163.03854	0.5
166.08600	0.9
167.07088	0.9
174.05518	13.0
174.09157	10.5
175.05812	0.7
184.07593	13.6
185.06026	1.4
185.07869	1.1
196.24567	0.6
201.05417	1.2
202.05016	29.5
202.08635	100.0
203.05312	1.5
203.08965	5.5
220.06090	9.1
221.06410	0.7
223.13086	1.8
230.08122	15.5
231.08414	1.6
241.71228	0.6
248.09178	45.6
249.09634	3.8
258.56522	0.6
300.75980	0.5
341.19412	3.9
385.13635	1.3
385.18350	23.9
386.18732	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	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01876	14.8
55.05515	71.4
55.58863	4.2
57.03439	8.3
60.48035	3.3
64.68044	3.0
67.05506	55.4
67.23091	3.6
68.05830	4.1
69.03424	7.9
69.07076	21.8
71.04981	3.9
71.08633	16.0
71.29207	5.5
79.05490	48.4
81.03420	15.8
81.07051	43.5
83.04991	24.4
83.08617	40.8
85.02895	7.0
85.06533	4.6
91.05478	29.1
93.07046	36.4
95.04976	67.8
95.08614	28.8
97.06548	13.2
97.10170	35.9
99.04485	4.8
99.08105	9.0
105.07031	26.1
107.04948	10.0
107.08596	42.8
109.06519	10.0
109.10160	18.3
111.04439	22.8
111.08080	11.9
117.07017	11.1
119.08604	16.0
120.08137	4.9
121.06547	5.7
121.10155	21.3
123.08082	6.1
124.19482	3.8
125.09629	29.9
131.08580	15.1
133.10162	13.0
135.08054	9.5
135.11676	9.5
137.81367	3.6
145.10156	24.5
147.11742	9.1
149.02405	4.8
149.09615	27.5
153.09045	6.4
153.12767	5.3
157.10153	6.6
159.11678	8.8
163.11185	44.6
165.12755	5.0
167.10631	4.2
173.13297	5.4
177.12772	9.9
179.10753	4.0
181.12225	6.4
189.11223	36.2
191.10664	4.9
195.13797	10.2
202.04829	3.7
202.08698	11.3
205.12257	5.7
211.13321	8.3
223.13246	33.7
224.13612	5.1
227.12807	8.8
247.20734	4.8
248.09198	4.9
257.19070	10.3
275.20056	74.7
276.20599	5.9
293.21109	100.0
294.21652	9.7
367.24973	25.5
385.25302	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	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01876	14.8
55.05515	71.4
55.58863	4.2
57.03439	8.3
60.48035	3.3
64.68044	3.0
67.05506	55.4
67.23091	3.6
68.05830	4.1
69.03424	7.9
69.07076	21.8
71.04981	3.9
71.08633	16.0
71.29207	5.5
79.05490	48.4
81.03420	15.8
81.07051	43.5
83.04991	24.4
83.08617	40.8
85.02895	7.0
85.06533	4.6
91.05478	29.1
93.07046	36.4
95.04976	67.8
95.08614	28.8
97.06548	13.2
97.10170	35.9
99.04485	4.8
99.08105	9.0
105.07031	26.1
107.04948	10.0
107.08596	42.8
109.06519	10.0
109.10160	18.3
111.04439	22.8
111.08080	11.9
117.07017	11.1
119.08604	16.0
120.08137	4.9
121.06547	5.7
121.10155	21.3
123.08082	6.1
124.19482	3.8
125.09629	29.9
131.08580	15.1
133.10162	13.0
135.08054	9.5
135.11676	9.5
137.81367	3.6
145.10156	24.5
147.11742	9.1
149.02405	4.8
149.09615	27.5
153.09045	6.4
153.12767	5.3
157.10153	6.6
159.11678	8.8
163.11185	44.6
165.12755	5.0
167.10631	4.2
173.13297	5.4
177.12772	9.9
179.10753	4.0
181.12225	6.4
189.11223	36.2
191.10664	4.9
195.13797	10.2
202.04829	3.7
202.08698	11.3
205.12257	5.7
211.13321	8.3
223.13246	33.7
224.13612	5.1
227.12807	8.8
247.20734	4.8
248.09198	4.9
257.19070	10.3
275.20056	74.7
276.20599	5.9
293.21109	100.0
294.21652	9.7
367.24973	25.5
385.25302	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	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02019	4.3
55.01855	6.2
55.05515	17.4
56.43596	4.7
64.76974	4.5
67.05508	27.7
68.52080	5.1
69.03432	12.0
69.07061	14.3
70.03768	11.6
70.04168	10.0
71.05010	6.2
71.08652	12.7
79.05496	15.8
81.07058	28.4
83.05000	9.4
85.06543	5.5
85.69859	4.3
91.05508	16.4
93.07048	30.0
95.05000	9.3
95.08612	14.7
97.02906	15.4
97.06529	8.9
99.08144	9.6
105.07051	14.0
107.08587	11.4
109.06538	16.0
109.10213	5.8
111.04442	17.7
119.08596	10.1
121.06524	17.4
121.10154	17.7
123.04438	8.0
123.08069	8.2
123.11687	4.6
124.05194	5.4
126.63747	4.4
129.07072	5.2
131.08601	17.8
133.10153	8.7
135.08087	8.9
141.47630	4.7
147.08125	5.2
149.02377	9.6
149.09601	8.8
163.11201	5.6
165.12727	22.1
173.09982	5.0
179.14276	5.5
181.12239	100.0
195.32303	4.8
218.84637	5.0
263.16760	4.8
289.21677	13.0
305.21103	17.3
344.68896	4.6
351.25266	65.9
352.25778	5.7
383.19797	5.0
385.09198	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	386.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03945	1.0
55.01875	0.8
57.03423	1.2
61.00433	0.3
61.02927	1.8
62.34765	0.4
69.03432	6.0
70.47784	0.6
70.48094	0.4
71.04994	0.6
73.02914	0.8
81.03409	2.5
85.02908	17.0
87.04452	0.7
91.03952	1.0
95.69646	0.4
97.02892	5.7
99.04458	0.8
103.67252	0.4
104.04975	1.0
108.04477	1.2
109.02874	1.9
127.03909	3.1
132.04454	11.9
136.03946	2.0
145.04948	2.9
145.60265	0.4
150.05495	0.7
160.03941	16.0
161.04364	0.8
164.03427	15.5
176.03448	0.5
177.04285	0.7
178.04996	100.0
179.05324	3.6
202.04951	1.2
206.04492	23.7
207.04890	0.6
220.06062	5.4
224.05542	29.1
225.05882	1.0
225.70906	0.4
248.05495	0.9
266.06564	0.8
290.06476	0.8
308.41086	0.4
333.97391	0.4
340.10043	0.4
386.10892	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	386.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15118	0.3
53.03950	0.9
55.01866	0.5
57.03178	0.3
57.03430	1.7
61.02930	2.6
66.72799	0.3
66.73164	0.3
69.03435	5.8
69.76855	1.1
71.04978	0.6
73.02914	0.9
74.05230	0.3
81.03430	2.0
83.01318	0.4
85.02908	17.0
86.03226	0.4
87.04460	0.8
91.03944	1.0
97.02902	5.2
98.03279	0.3
99.04459	1.0
99.20785	0.4
100.75933	0.3
104.05006	1.1
108.04498	1.2
109.02888	1.7
127.03922	3.5
132.04457	11.8
136.03955	2.4
145.04970	2.7
150.05542	0.7
160.03951	16.2
164.03438	15.5
168.13603	0.4
177.04283	0.6
178.04997	100.0
179.05359	4.7
202.05002	1.0
206.04498	23.7
207.04845	1.8
212.03979	0.3
220.06058	4.9
221.06548	0.4
224.05542	29.0
225.05936	1.6
233.26250	0.3
248.05476	0.7
266.06635	1.2
282.93393	0.4
290.06567	0.6
325.57208	0.4
340.10263	0.9
343.64331	0.3
386.10657	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	386.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.74888	0.5
56.96588	0.5
57.03434	1.6
61.02921	2.0
65.75273	0.5
66.79045	0.5
69.03426	5.0
70.06580	2.2
71.04979	0.7
71.11345	0.8
72.08151	2.3
73.02895	0.8
81.03421	2.7
84.04544	0.6
84.08141	1.0
85.02906	17.5
85.12927	0.5
86.09687	2.9
87.04482	0.8
91.03958	1.3
94.33450	0.6
97.02894	4.7
99.04491	0.6
104.04977	1.2
105.72823	0.5
108.04469	1.3
109.02911	2.6
122.25195	0.5
127.03934	2.9
128.73946	0.5
132.04459	11.3
136.03944	2.3
145.05014	3.2
150.05505	0.9
153.01808	3.6
160.03931	13.7
161.04277	0.6
163.03935	0.9
164.03442	14.4
167.07076	0.8
171.14909	0.6
178.04994	100.0
179.05363	4.5
199.14342	0.6
202.05037	1.2
206.04482	24.0
207.04787	0.9
213.03262	0.5
220.06052	5.4
224.05542	32.7
225.06013	1.2
244.06020	0.7
248.05560	0.7
259.07864	2.3
266.06729	0.7
290.06314	0.6
317.12036	1.0
386.10776	1.8
387.16315	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	386.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47274	1.2
65.80035	1.3
67.05515	2.5
69.03419	4.3
69.07093	1.4
69.16081	8.4
70.57294	1.2
74.59516	1.7
81.03388	2.0
81.07047	1.4
85.02902	4.8
86.09715	2.0
91.05482	16.3
93.07047	3.3
95.04969	3.2
97.02916	1.4
103.05483	13.7
105.07023	3.7
107.04972	5.4
109.06563	2.4
113.10663	1.2
117.03401	1.8
118.06525	1.4
119.04940	19.5
120.08112	1.7
121.06494	3.5
123.04448	11.9
131.04936	28.1
136.07581	100.0
137.05936	1.8
137.07936	3.3
139.07620	1.6
143.04929	1.5
145.02858	4.8
147.04410	5.8
159.04425	83.6
159.11826	1.3
160.04756	2.8
161.05983	3.5
161.08391	1.6
162.09171	2.7
162.12798	2.3
163.07608	1.6
163.11212	1.4
165.05479	19.5
167.07028	1.4
169.43558	1.3
176.14357	2.2
177.05486	11.1
181.05014	3.3
182.08153	24.8
204.13844	37.1
205.05023	2.2
205.14227	2.3
207.13799	6.9
260.16504	1.4
322.10745	51.3
323.10858	3.1
368.11298	5.1
386.18906	8.6
387.20081	2.8
394.29706	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	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
58.11093	0.7
60.29841	0.8
65.03941	1.7
67.05488	1.3
68.05025	3.6
68.99786	3.2
69.03425	1.0
70.06580	1.6
72.08149	1.1
74.02435	1.2
79.05481	1.1
81.03433	1.0
83.06119	0.8
84.04499	2.1
86.09715	6.3
91.05484	2.1
93.03405	8.6
93.07030	1.1
95.04961	2.0
98.22620	1.8
107.04948	3.1
110.05990	1.1
114.04843	1.0
114.05501	6.1
117.03413	0.9
119.04919	3.7
121.02866	12.2
121.06519	1.1
129.06573	0.9
130.06487	1.5
133.92288	0.7
134.05969	0.9
135.04410	3.6
136.03891	1.3
137.06026	2.0
146.11760	3.1
147.04401	10.3
149.02370	1.7
149.05876	1.0
153.01794	4.8
158.06029	1.7
161.02350	8.5
163.03899	1.1
165.01886	4.3
174.05630	1.2
175.03902	5.4
177.01846	19.7
177.05434	1.8
178.05031	0.9
179.03403	29.0
183.02843	1.5
189.01866	2.4
191.03391	1.4
192.14127	0.9
193.04935	4.2
195.02910	1.8
196.14410	1.6
202.05013	1.2
203.03410	20.0
203.05249	1.0
204.06590	4.1
205.04976	7.0
207.02887	3.6
208.02765	0.8
214.12248	9.5
214.15433	0.9
220.06058	28.0
221.04466	6.4
221.06335	1.5
222.07599	2.3
223.06058	3.1
231.02878	3.6
249.03938	5.6
266.06592	100.0
267.06848	3.6
323.09009	1.1
325.10785	0.9
340.11877	3.2
369.09589	1.8
386.12326	25.9
387.12958	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	386.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.7
51.02377	1.2
53.03957	4.2
53.49826	0.5
55.01871	1.6
56.91180	0.6
65.03942	1.4
73.02914	1.2
77.03938	2.0
77.43258	0.6
79.05476	0.6
81.03375	0.8
89.03924	4.4
91.05485	28.5
92.05821	1.0
93.07050	23.3
95.04982	5.3
102.04684	1.3
103.05475	21.8
105.03373	0.7
105.04517	2.7
111.21459	0.6
115.05407	2.8
117.03382	15.3
117.07018	2.4
119.04949	21.2
120.05733	13.7
121.06512	100.0
122.06828	3.0
129.06999	0.9
130.04190	1.7
131.04919	3.7
132.05803	0.8
133.02866	1.6
133.06511	1.9
134.03671	1.7
135.04474	1.3
137.05962	3.0
138.09157	1.4
143.04933	1.9
145.02852	27.0
145.06494	4.5
146.03564	1.8
147.04424	15.3
148.05162	2.0
148.07510	0.6
149.05965	4.0
151.07594	0.6
153.05505	1.0
155.05977	0.7
155.14844	0.5
157.03995	3.7
158.03589	4.1
159.04417	3.3
160.05240	7.0
161.02379	4.6
161.05957	5.8
162.03127	4.1
163.03833	0.9
164.07072	1.0
167.07042	0.9
171.04472	1.5
173.02356	1.0
173.05980	9.7
174.03160	10.3
174.05434	0.8
175.03915	35.9
175.07349	1.0
176.04692	10.2
176.07001	3.3
177.05487	22.3
178.05869	0.7
181.04965	2.3
185.06055	1.5
186.03139	2.6
187.07596	1.2
188.04669	0.9
189.05504	2.2
191.07057	0.9
192.06590	2.0
193.07309	0.9
201.05469	61.8
202.05844	3.8
203.07033	3.9
213.05403	4.3
214.05750	0.6
215.06969	1.1
217.04964	3.9
219.06532	11.1
231.06532	10.0
231.08745	0.9
232.06848	1.0
236.77650	0.7
249.07582	67.8
250.07945	4.5
251.10841	0.7
286.11841	0.6
290.60226	0.8
307.33398	0.8
333.11035	1.0
338.13947	2.4
356.14969	2.7
357.13419	2.4
386.16016	29.6
387.16055	2.5
399.18112	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	386.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03946	4.5
55.01869	1.5
57.13597	0.6
65.03958	1.0
70.79973	1.3
73.02917	0.7
77.03935	1.6
79.05495	0.8
88.23234	0.5
89.03908	4.8
91.05482	29.8
93.07045	22.0
95.04976	6.1
101.14405	0.6
102.04679	1.5
103.05472	20.1
105.03398	0.9
105.04550	2.9
105.07055	1.0
107.04950	1.7
111.82306	0.5
115.05437	3.3
117.03382	15.3
117.07031	2.3
118.04207	1.3
119.04948	22.2
120.05743	14.3
121.06509	100.0
122.06853	4.5
124.45406	0.6
128.06316	0.6
129.06984	0.8
130.04166	2.8
131.04956	3.4
132.05684	1.3
133.02885	1.0
133.06467	2.2
134.03658	1.0
135.04420	0.9
137.05977	3.8
138.09155	1.1
143.04926	1.9
145.02841	29.1
145.06477	3.5
146.03513	1.5
147.04414	17.3
147.08060	0.9
148.05130	2.0
149.05997	4.2
155.13298	0.8
157.04027	3.4
158.03661	4.0
159.04378	4.0
160.05203	8.3
161.02332	5.2
161.05969	6.1
162.03096	4.3
163.03831	0.8
167.07030	1.6
171.04355	1.4
173.02408	1.4
173.05991	9.2
174.03154	8.3
174.05441	1.2
175.03908	38.5
175.07436	1.5
176.04689	10.8
176.07043	3.8
177.05467	22.0
178.05827	1.0
179.03346	0.7
181.05020	1.4
185.06018	2.0
186.03197	1.7
188.04581	1.0
189.05478	1.4
191.06998	1.4
192.06581	3.3
194.46896	0.7
201.05472	65.2
202.05763	4.2
203.07066	2.8
213.05469	4.0
215.07039	1.7
215.44716	0.6
217.04962	4.9
219.06505	13.3
219.08475	1.0
231.06551	11.0
249.07573	78.0
250.07904	5.4
338.13980	2.8
356.14874	2.6
369.09662	1.2
386.16003	35.1
387.16125	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	386.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	3.3
57.05362	0.7
61.01160	0.6
62.18682	0.4
68.59515	0.4
69.79093	0.4
70.06594	100.0
70.54472	0.9
71.06922	2.2
72.15583	0.4
81.03434	0.5
86.09708	8.4
86.10181	0.9
98.00742	0.5
101.06039	0.5
105.57063	0.5
110.07173	0.5
128.10725	3.7
132.41330	0.5
146.65671	0.5
149.38564	0.5
156.06558	2.2
157.06938	0.7
213.12431	1.8
231.09758	48.9
232.10130	2.2
249.06152	1.1
266.78748	0.5
278.53711	0.5
346.97018	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	386.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23501	0.3
55.96799	0.2
68.05012	0.4
70.06591	100.0
70.54522	0.7
71.06919	1.4
83.45690	0.2
84.04514	0.8
86.09705	9.5
87.10066	0.3
97.97387	0.2
116.07116	0.6
128.10719	2.2
136.07590	0.4
144.06592	0.5
156.10222	0.6
164.48724	0.3
213.12282	1.7
231.09747	49.6
232.10085	2.2
249.28093	0.3
289.03464	0.3
297.12766	0.4
333.10831	0.3
346.96674	0.3
386.18268	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	386.1963
Annotation	O-Methylthaicanine
Peak:m/z	Relative Intensity
53.03946	2.4
54.73407	0.4
55.01877	1.1
60.04519	1.3
65.03931	0.6
67.05518	0.7
68.05007	0.5
69.07056	0.8
71.04984	0.7
71.20397	0.4
77.03938	0.6
79.05487	3.1
80.05010	0.7
80.58543	0.4
81.03392	0.6
81.07067	3.0
85.02913	0.8
87.65835	0.3
89.37907	0.3
91.05486	11.2
92.63354	0.3
93.07053	15.8
95.04981	3.4
96.08128	0.6
99.08112	0.6
103.04784	0.8
103.05473	13.5
105.04517	1.6
105.07049	1.3
107.04962	18.1
108.04572	0.5
108.05304	0.7
109.02896	2.6
110.06048	0.4
111.03206	0.9
111.04423	1.1
111.08086	3.8
117.07025	0.6
118.06581	0.6
119.04961	0.5
119.08582	0.7
120.04482	0.9
121.06512	100.0
122.06857	3.1
123.04421	0.5
124.07610	0.6
125.04782	0.4
126.03139	1.3
126.05507	1.9
128.06194	0.5
129.06987	0.8
129.19437	0.4
131.04964	0.5
134.06041	0.9
136.07603	1.1
137.04971	0.6
137.05949	2.6
138.05521	0.7
139.03879	1.4
140.03409	0.5
141.05424	0.6
143.08606	0.5
147.08063	1.2
148.03970	3.0
148.05014	0.7
151.02649	1.3
151.03864	0.7
152.02214	0.4
152.03418	1.3
152.07072	2.5
153.04253	0.9
153.05469	0.4
154.04991	5.3
155.05817	1.4
160.03993	1.1
160.05211	0.9
160.07541	0.5
162.05421	0.9
164.06989	0.4
165.04268	0.4
166.05048	2.1
168.06566	14.5
168.07935	0.9
169.06898	0.6
171.41208	0.4
174.05525	0.7
174.09177	0.5
175.06252	0.5
175.07559	2.7
178.05040	1.4
179.05780	0.9
180.06700	1.9
180.10210	7.7
181.04996	0.5
186.99890	0.4
188.89935	0.4
191.07106	1.1
192.06526	1.1
193.13104	0.4
202.08652	4.5
203.08989	1.3
204.06581	1.5
205.07307	0.6
206.08086	1.9
216.10164	1.1
218.08174	0.7
219.08943	1.2
234.11269	18.0
235.11598	1.0
248.12831	1.1
266.13873	8.0
274.10745	13.3
275.11188	1.3
276.12372	0.8
322.14410	1.2
354.17026	7.8
386.19632	76.8
387.14771	1.0
387.19931	7.2
408.09125	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	386.1963
Annotation	O-Methylthaicanine
Peak:m/z	Relative Intensity
53.03945	2.9
55.01880	1.0
55.05520	0.7
57.14648	0.5
60.04527	0.5
67.05515	0.9
71.04990	1.2
77.59145	0.4
79.05502	5.3
80.05814	0.7
80.68557	0.5
81.03412	0.9
81.07067	6.8
83.28695	0.5
85.02876	0.6
91.04975	0.7
91.05493	10.6
93.07053	15.7
95.04958	3.5
99.08192	0.6
99.49025	0.5
103.05476	11.1
105.04526	1.3
105.07038	1.0
107.04963	17.1
108.04534	0.7
108.05295	0.6
109.02885	1.5
111.03204	0.7
111.04465	1.1
111.08092	9.6
119.04976	0.8
120.04454	1.0
121.06516	100.0
121.36488	0.5
122.06833	3.6
126.03163	1.2
126.05526	1.8
129.07025	1.1
133.05090	0.7
134.06042	0.9
135.06836	0.5
136.07619	0.8
138.05498	1.7
139.03931	1.6
147.07985	0.6
148.03938	2.9
149.04761	0.7
151.02621	1.1
152.03464	1.2
152.07094	2.8
153.04210	1.6
154.05016	5.4
155.05763	0.7
156.06551	1.1
160.03928	1.5
160.05164	1.0
165.04140	0.6
166.05055	2.7
167.05782	0.6
168.06583	22.0
174.05537	0.8
175.07564	1.8
176.07098	1.1
178.05055	1.0
180.06540	1.8
180.10184	2.2
186.05525	0.8
187.06291	0.8
192.06570	1.8
202.08626	6.3
204.06581	2.6
205.07260	1.2
206.08171	3.5
206.65135	0.5
208.13356	3.3
216.10268	1.5
218.08076	0.8
219.08922	1.5
229.01089	0.5
234.11267	24.3
235.11458	1.2
247.92799	0.7
248.12805	1.2
266.13861	6.3
267.13583	0.5
274.10736	14.6
275.11444	2.3
276.12289	1.5
280.09726	1.0
322.14481	1.1
354.17053	8.8
355.17377	1.0
386.19647	76.8
387.20010	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	386.1963
Annotation	O-Methylthaicanine
Peak:m/z	Relative Intensity
50.55954	0.4
53.03951	2.7
55.01864	0.9
55.05524	0.9
56.33667	0.4
57.03419	0.6
60.04514	2.1
60.14944	0.4
60.32406	0.4
61.20312	0.4
67.05505	1.0
77.03926	0.8
79.05486	2.3
81.03418	1.1
81.07050	2.9
85.02908	0.6
91.05486	10.5
91.12859	0.4
93.07053	15.0
95.04977	3.0
103.05469	11.0
104.05819	0.8
104.83348	0.5
105.04536	1.4
105.07056	1.2
107.04963	21.4
108.04501	1.1
108.05236	0.5
109.02901	2.6
111.03232	0.8
111.04450	1.3
111.08072	3.0
115.04435	0.4
117.07107	0.5
119.04940	0.8
119.08582	0.8
120.04489	0.9
120.05673	0.6
121.06512	100.0
122.06844	2.9
123.04460	0.7
124.07617	0.7
126.03168	1.2
126.05547	2.6
129.06993	1.0
134.05997	0.6
135.06816	0.7
136.07639	1.4
137.05969	0.6
139.03917	1.4
140.03360	0.7
147.08034	1.1
148.03940	3.7
149.04741	0.5
151.02637	0.6
152.03453	1.9
152.07062	5.2
153.04222	1.3
154.05002	6.0
155.05879	0.8
160.04041	0.6
160.05217	1.0
162.05534	0.6
166.05000	1.6
167.05756	1.1
168.06572	18.6
169.06841	0.5
174.09190	0.5
175.07542	2.5
178.04991	1.1
180.06602	3.3
180.10188	15.2
180.73561	0.5
181.10507	0.5
187.06268	0.5
192.06598	0.8
193.12238	1.3
194.12581	0.9
202.08611	4.2
204.06602	0.8
206.08153	1.5
216.10365	0.7
218.07999	0.5
219.08923	1.0
234.11259	11.3
235.11772	0.7
245.65681	0.5
248.12936	0.8
250.10960	0.6
254.09018	0.5
266.13940	3.4
274.10751	25.3
275.11169	1.9
322.14517	1.0
354.17020	6.7
355.17197	0.8
384.63547	0.5
386.19632	62.8
386.23709	2.8
387.19943	6.4
387.88492	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	387.1261
Annotation	Axitinib
Peak:m/z	Relative Intensity
50.85463	0.6
52.14635	0.5
65.03906	0.5
68.13790	0.5
69.73095	2.5
70.06588	1.0
72.08136	1.1
73.02901	0.6
76.37774	0.5
79.05462	0.8
81.07051	3.2
83.04940	1.1
84.04477	2.0
84.08112	1.1
91.05462	2.0
92.86048	0.5
95.04969	0.7
96.39151	0.6
98.23326	1.1
103.05454	0.8
105.07030	1.4
107.04932	1.2
111.04461	0.8
114.05510	1.8
116.01638	0.7
119.04956	0.9
119.08572	1.1
121.06497	1.5
123.04424	0.6
123.16492	0.6
130.04991	1.2
131.04918	0.8
133.06456	0.7
133.37326	0.6
135.04422	0.7
137.05943	1.4
140.07120	0.7
142.04945	1.7
147.04391	2.3
149.05983	1.0
153.05486	1.0
161.05936	0.7
162.06775	0.8
163.03885	0.8
167.07056	10.6
171.02647	1.4
177.05438	1.3
193.08580	0.8
195.06511	0.9
197.07855	17.8
203.05235	1.2
207.09975	0.7
210.11250	3.1
213.03857	0.7
225.03954	0.6
225.07433	1.0
225.10963	1.7
236.97101	0.6
239.08910	2.8
240.19508	2.0
299.24258	1.3
325.10651	0.9
343.17276	0.8
355.11609	2.4
387.12415	100.0
387.16150	9.4
388.12692	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	387.1286
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
50.85361	0.1
52.29390	0.2
53.03941	0.5
55.01868	0.2
57.03428	0.2
65.03915	0.2
66.04713	0.2
66.50386	0.1
67.05533	0.1
69.03415	0.2
70.60902	0.1
77.03928	0.3
78.04714	2.3
79.05492	1.4
81.07047	0.3
84.04460	0.2
85.02889	0.5
86.51701	0.1
91.05471	0.8
93.07042	0.5
94.04192	0.2
95.01332	1.6
95.04980	0.3
97.02908	0.2
103.05462	0.7
105.03413	0.2
105.04533	0.2
105.07043	1.0
106.04185	1.6
107.04973	1.5
109.06536	0.2
113.02344	0.2
115.05480	0.2
118.04137	0.2
119.04942	0.3
120.04488	0.4
121.06525	1.2
122.03639	0.3
123.04435	5.4
124.05228	1.7
129.01772	0.2
133.06499	1.1
134.03636	0.4
137.05965	0.4
141.01819	0.5
149.05981	1.5
151.03867	1.2
152.04674	1.6
155.07010	0.2
161.05998	1.0
166.06322	0.2
167.07040	100.0
168.07397	3.7
177.03987	0.3
179.07042	0.4
179.79878	0.2
181.08597	1.6
193.08603	3.3
211.09669	2.7
225.10722	0.1
229.40105	0.2
278.55511	0.2
359.82651	0.2
387.12509	1.3
387.16885	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	387.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62571	1.4
53.03953	4.3
54.67854	1.4
57.03429	3.2
67.05507	3.5
69.03435	6.0
69.07071	3.6
70.06597	7.6
70.18661	1.7
70.67518	2.8
72.08169	7.6
79.05476	2.5
81.03439	2.6
81.07079	3.6
84.04513	3.1
85.02898	6.6
86.09718	14.7
91.05471	2.4
91.62881	1.8
95.04977	5.5
95.08630	3.4
96.39387	1.7
97.02888	4.3
99.04480	1.8
105.03397	100.0
105.07037	3.8
106.03723	5.3
107.04955	3.1
109.10169	6.3
113.02496	1.7
117.03389	2.0
118.03714	1.6
119.08582	4.3
123.04431	4.7
129.10335	2.1
133.10146	3.7
137.09641	4.9
143.08582	2.8
145.02890	3.6
146.03220	2.5
147.08087	2.6
161.09627	12.3
161.13254	2.2
163.07405	1.7
165.09138	10.2
177.05502	4.9
178.05820	6.1
179.07022	27.7
189.09125	2.3
189.12769	2.3
197.08119	5.5
207.10124	3.3
213.12346	1.9
225.11017	1.8
278.09027	3.9
283.95377	1.6
340.63770	1.7
369.11520	5.6
387.14514	1.7
387.20013	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
52.26389	0.3
53.03944	0.5
55.01857	0.6
55.05502	0.5
63.36653	0.3
65.03950	1.7
67.05502	0.8
69.03419	0.5
69.21013	1.8
76.98149	0.3
78.96384	0.3
79.05516	1.5
81.07052	0.5
82.04199	0.3
83.08588	0.5
85.02903	0.8
91.05486	2.4
93.03403	0.4
94.04180	3.2
95.04950	0.4
97.06523	0.5
103.05472	2.8
105.03426	0.3
105.07025	0.9
107.04984	1.8
109.06532	0.3
110.03637	0.6
111.04430	0.3
115.05462	2.5
117.07049	1.7
118.04185	0.5
119.04961	0.4
119.08605	0.3
121.02824	0.3
121.06509	0.8
122.03657	8.8
123.04420	1.0
124.05247	0.4
125.06030	0.5
125.09663	0.3
126.41873	0.3
129.91927	0.3
130.04144	0.4
131.04932	2.0
133.02858	0.4
133.06473	0.6
135.04398	0.3
137.05978	100.0
138.03122	0.5
138.06317	2.6
142.02583	0.6
143.04924	3.4
144.05629	0.3
145.06476	2.0
147.04431	0.7
148.05186	0.9
149.05969	0.5
151.03911	7.1
151.05043	0.4
151.07530	0.8
152.04482	0.3
153.05467	0.6
155.06049	1.2
160.05234	0.3
161.05975	0.8
163.03848	0.3
163.07538	2.0
165.05487	0.4
165.09148	0.7
167.07042	12.4
168.07414	0.4
171.04420	0.5
171.06572	0.8
173.05998	3.6
174.06383	0.3
175.07512	1.4
177.05460	0.5
178.06255	0.3
181.04959	15.8
182.05402	0.4
187.07611	0.6
189.11166	0.3
191.07027	5.2
192.07448	0.7
201.05556	0.3
203.06993	1.7
205.06837	0.5
205.08585	2.5
207.06372	0.3
207.08180	0.6
215.07036	0.3
221.07903	0.4
233.08133	1.2
234.06767	0.6
235.07510	0.7
235.09689	2.2
249.09105	0.3
251.06953	0.6
263.06995	0.4
264.07642	0.5
265.08640	0.9
267.09866	0.4
279.10181	0.4
285.11188	0.5
292.07318	0.3
293.08221	0.4
295.09671	0.7
299.08984	0.9
305.08051	0.9
309.11145	0.5
319.09613	0.6
327.08426	0.4
337.10675	1.1
339.12180	0.6
351.12054	0.6
355.11758	0.7
357.13330	11.1
358.13580	1.0
369.13452	0.7
387.14365	23.0
388.14682	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	387.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85026	1.1
56.96561	1.4
65.03933	1.7
69.52182	5.1
70.06595	4.1
70.71725	1.2
79.01874	1.4
81.03400	1.5
81.07068	1.5
84.08118	2.1
85.02906	4.7
86.09708	2.9
92.05005	4.7
92.27445	1.2
93.07013	1.5
95.01312	3.3
95.04987	1.6
97.02885	2.1
107.04954	1.9
120.04474	76.8
120.08122	2.3
123.04459	2.5
133.02939	1.2
133.05136	1.2
134.06029	2.6
135.04480	1.8
136.04805	1.5
136.07605	2.8
141.01845	5.1
144.08115	1.2
147.04425	2.8
151.03860	1.3
153.01817	9.9
154.02243	1.3
163.03885	6.5
164.03088	1.4
164.04230	8.8
165.07047	2.9
167.07054	31.5
167.08569	13.6
177.05647	1.4
177.06956	6.4
178.07794	5.3
179.03432	2.5
179.08598	3.4
181.05070	1.8
181.06468	1.3
183.08069	2.1
191.08575	31.6
192.08835	2.2
193.08647	2.0
193.10114	6.2
194.08185	22.7
194.09851	2.7
195.08089	12.3
198.05534	3.6
202.07796	3.6
203.08553	5.8
205.06468	1.7
207.08101	3.0
208.08800	3.6
209.09608	4.7
212.09064	1.6
212.10817	3.3
218.09637	2.2
219.05904	1.9
219.08055	35.7
220.08420	4.4
221.09688	9.0
223.07462	6.3
224.10759	3.2
225.09126	4.2
225.11192	2.6
227.07018	1.9
229.07645	3.9
236.10718	34.2
237.09003	3.5
237.11119	3.0
238.12270	22.2
240.10191	24.8
241.10693	2.5
247.07518	3.0
251.06984	2.0
253.13364	100.0
254.11606	15.8
254.13878	4.0
255.12039	2.7
264.10178	2.9
265.08606	11.3
269.08035	3.8
280.13419	2.7
282.11267	43.5
283.11566	3.9
286.10892	1.9
295.14404	23.0
296.14951	1.4
299.13925	70.9
300.14603	2.7
311.09024	3.0
317.12073	3.5
324.12274	6.1
328.11804	13.5
329.11990	1.5
341.14969	89.0
342.15112	6.3
345.14432	22.1
369.01526	1.4
370.11975	1.5
387.16187	36.3
388.16446	2.3
413.82779	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	387.1797
Annotation	(+)-Eudesmin
Peak:m/z	Relative Intensity
65.03919	0.5
70.91998	0.7
70.92356	0.7
79.05515	1.2
91.05480	3.9
105.03366	0.9
106.04150	1.3
107.04966	6.9
108.05759	3.6
116.74427	0.6
117.06988	1.2
121.06528	4.2
131.04930	0.8
135.04424	1.7
136.05200	2.3
137.05960	3.9
145.06485	1.0
145.07695	0.6
146.07262	3.6
147.08031	1.1
149.05986	2.6
151.07545	100.0
152.07884	4.1
162.06752	1.5
163.07582	0.6
165.05508	1.6
165.09140	1.1
167.07106	0.6
177.09132	9.9
179.07022	1.4
181.04971	1.0
189.09071	0.8
191.07028	2.2
196.09572	0.6
205.08719	0.6
215.10672	1.0
221.72609	0.5
231.10101	1.1
245.09633	0.5
262.67270	0.6
288.11447	0.9
289.12021	0.7
304.10928	0.9
305.11667	1.4
309.14893	1.9
314.14294	0.6
319.13272	6.8
320.13916	0.9
337.14301	1.3
351.15958	3.2
357.13657	0.8
369.16946	2.3
387.14227	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	387.1803
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
55.05512	2.1
57.07077	10.2
58.06592	6.2
60.18319	1.9
69.07064	3.1
70.06580	3.0
70.35033	2.4
70.35352	5.0
71.08625	7.4
72.08164	21.6
73.18735	1.9
74.96857	2.2
75.12933	2.3
79.05508	3.3
81.07038	3.0
91.05511	3.2
93.07029	3.6
95.08612	2.8
98.23185	2.7
105.07082	3.1
109.06532	2.1
111.08027	2.5
119.08605	2.9
128.06320	2.2
137.05994	8.5
143.08623	2.7
154.85388	2.1
156.05673	2.9
156.17506	8.2
157.17851	2.1
165.05515	2.4
165.07030	2.3
167.07071	4.7
168.05901	2.2
169.06378	5.0
173.06058	2.7
181.06505	4.8
183.08070	2.4
184.05199	16.0
185.05777	4.5
189.09050	3.6
195.08032	2.7
196.05276	5.1
197.06003	8.6
197.08118	9.5
198.06770	8.7
199.07527	32.5
200.07993	3.1
205.08548	2.5
211.03967	2.7
211.07547	7.2
212.04689	8.4
212.08327	3.3
212.23697	7.7
213.05438	6.2
213.09097	4.6
214.06230	5.1
223.33476	2.1
225.05531	5.4
225.09096	3.3
226.06270	12.8
227.03592	3.3
227.07030	65.9
228.07735	8.2
229.04962	9.6
229.08533	5.6
238.06084	2.4
240.07875	3.6
241.04836	3.6
241.08592	9.6
242.05782	9.7
242.09367	2.6
243.06505	8.8
244.07303	8.4
245.08148	3.2
254.05733	3.9
255.06532	21.7
255.08998	2.5
255.10225	3.7
256.07275	3.0
257.04352	2.4
257.07999	17.9
258.08679	3.3
259.09665	13.5
265.12183	3.2
269.08084	6.6
270.05258	5.9
271.05957	16.3
285.07584	26.7
286.08359	27.5
287.09137	31.5
288.09683	3.3
293.11917	3.7
297.14908	7.5
299.09155	4.3
317.10175	24.5
324.36176	23.1
325.14304	39.4
325.36646	13.6
355.15359	4.9
357.17004	17.0
369.17001	3.6
372.15421	4.7
386.39944	87.3
387.18021	100.0
387.40262	53.9
388.18420	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	387.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69444	1.7
65.27885	1.9
68.28204	1.7
70.06590	3.1
70.79669	2.3
87.17613	1.9
93.25468	1.7
94.93045	8.0
96.92839	1.9
101.71081	1.7
178.70457	1.8
195.06488	3.7
196.04863	24.2
204.87093	4.0
212.85260	44.2
213.07501	100.0
214.85048	6.6
239.85489	1.9
240.83653	5.8
253.02994	2.4
294.81094	7.8
387.04477	6.1
387.17886	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
67.05499	7.4
69.03416	5.0
69.21082	35.2
70.06588	29.2
72.08161	4.4
84.04503	48.6
84.08154	8.6
84.85962	4.5
86.09705	92.0
86.10184	9.5
93.07039	4.7
95.08622	23.1
96.66395	4.3
101.07130	6.5
102.70074	4.3
105.03416	9.5
108.98193	4.0
112.44324	4.8
113.30106	4.9
116.07097	6.9
121.94128	4.1
123.05312	11.8
123.08083	9.8
124.03793	5.3
126.05539	8.3
142.27951	4.3
144.06566	59.4
145.51675	4.2
149.09679	7.4
151.04825	6.5
152.03123	7.9
161.09201	56.1
161.13109	4.5
169.05832	12.2
189.12746	7.9
199.18057	12.3
207.13853	17.0
207.18300	5.1
237.78647	4.9
242.04108	6.0
251.06387	15.8
252.04666	4.9
260.05356	8.4
269.07422	19.7
331.56595	5.1
371.08493	14.4
387.16321	32.2
388.11163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.69959	1.7
55.05505	3.7
57.55041	1.8
59.05002	2.2
63.17072	1.8
67.05482	3.3
68.65370	1.9
69.03395	5.6
69.03807	13.0
71.04994	6.4
79.05497	8.6
81.07059	10.2
91.05493	10.7
93.07050	16.6
95.04989	3.0
95.08588	11.2
105.07027	8.9
107.08595	7.0
108.54108	1.8
109.06516	7.6
111.04471	2.8
111.08082	4.6
117.07033	3.4
119.08567	10.5
121.06450	2.9
121.10157	3.0
123.08043	4.8
127.81043	1.9
131.08600	3.7
133.10158	6.9
135.08070	2.1
136.05220	3.6
137.05988	6.5
139.07581	2.9
143.08597	3.5
145.06526	3.3
145.10103	11.7
149.09680	2.1
151.07506	12.4
151.11136	3.0
154.06258	16.2
159.11725	3.2
160.05125	2.1
161.13321	2.2
165.05548	2.3
167.07040	5.4
169.08621	8.4
173.06107	3.0
174.06711	4.4
177.05530	4.4
177.09096	2.7
181.05028	3.3
181.08560	5.0
182.05766	11.2
183.06483	6.5
185.13338	2.7
191.07036	3.1
194.22348	1.9
195.06578	7.5
195.10191	5.6
197.08098	100.0
198.08427	4.8
203.14330	2.5
205.08653	4.1
219.10155	2.6
220.07381	2.3
221.08072	4.2
223.09534	4.1
225.09033	2.9
231.10146	3.1
233.11609	2.6
235.09715	14.7
237.11203	9.2
243.66599	2.1
251.12808	3.6
261.11197	3.2
271.13309	4.1
275.12866	4.2
303.15857	6.2
387.21609	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	388.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16782	2.3
62.51148	2.2
70.06572	3.3
70.25655	5.2
78.64249	2.4
78.78327	2.1
81.07027	3.9
84.08138	5.7
85.02895	6.3
86.09723	5.3
91.05465	7.4
92.05003	7.7
93.07071	2.7
95.01333	4.8
97.02887	2.9
105.21761	2.6
107.04986	2.6
111.19888	2.2
116.07035	2.4
119.04939	9.3
120.04470	100.0
120.08087	3.1
121.26495	2.4
123.04464	3.2
126.41912	2.5
133.02884	3.1
134.05934	2.3
141.01845	7.2
146.66414	2.5
147.04420	34.7
153.01862	6.4
154.02130	3.0
158.06015	2.4
163.03894	2.8
167.07056	7.4
168.07396	8.0
179.03403	9.4
192.08911	5.7
194.08162	29.1
198.05573	5.3
219.07846	2.5
220.08296	4.9
239.12750	2.5
253.13322	3.2
254.13660	10.0
283.11478	5.3
300.14142	8.6
342.15265	13.7
346.14932	3.8
388.16498	11.2
389.17889	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64786	0.2
55.01855	0.3
55.75611	0.3
57.03436	0.8
65.03949	2.1
68.05028	0.3
71.01356	0.6
71.35300	0.2
73.02911	1.1
74.20404	0.3
77.58446	0.2
79.05493	0.7
80.65028	0.3
81.07056	1.7
83.01334	0.6
84.04530	1.6
84.04948	0.3
85.02902	3.2
86.06062	0.4
86.99067	0.3
92.05010	8.9
94.06576	0.6
95.01338	3.8
95.04941	0.3
97.02903	0.3
99.00843	0.4
101.02402	0.3
106.06529	0.6
109.07639	0.5
113.02382	1.2
114.05564	0.9
116.01675	0.5
120.04470	100.0
121.04009	0.4
121.04816	3.2
122.06036	0.5
124.08738	0.3
130.05005	0.7
131.03371	0.6
132.04459	2.2
134.06035	3.3
138.05499	0.4
141.01839	6.8
142.03226	0.6
142.05008	1.2
142.06497	0.4
144.04474	0.6
159.02902	0.6
162.05515	1.8
162.78377	0.3
168.06474	0.4
170.06038	1.1
170.09213	0.3
172.04202	0.3
194.08141	12.8
195.08574	0.7
198.05513	3.3
210.11241	2.6
212.09167	7.0
216.06529	0.4
242.04471	0.8
249.40108	0.2
252.10048	0.3
254.10237	0.4
260.05621	0.3
263.59122	0.3
278.06644	1.1
296.07751	1.2
313.12231	0.3
334.09091	0.7
352.10324	0.3
370.11404	0.7
388.15692	0.6
389.14368	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	388.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28448	2.5
55.05520	4.5
56.05028	2.7
58.99584	7.5
65.50562	2.6
68.05016	11.3
69.13519	17.5
70.06589	5.9
72.08158	3.4
72.47960	3.1
76.02213	3.7
79.05486	14.8
80.05009	6.4
81.07056	53.4
82.06567	5.2
84.04507	52.8
84.08144	2.9
86.06054	4.8
86.09696	8.1
86.99063	6.6
88.32738	3.3
91.05476	15.3
94.06579	13.3
96.04511	4.1
98.09661	4.9
98.23421	5.2
99.08130	3.1
102.70601	3.0
103.05462	2.9
109.07663	9.8
114.05533	36.6
116.01680	24.5
119.04949	27.0
119.08663	3.2
120.04462	11.1
121.06509	3.8
122.06020	4.8
124.08736	3.3
124.11205	4.4
126.03734	6.3
130.04988	22.4
135.89174	2.9
136.03989	3.3
136.11185	3.3
140.07091	4.2
142.03233	13.5
142.04997	40.8
144.01158	6.5
147.04414	80.8
148.04720	3.8
156.06572	7.4
162.02254	8.4
164.10706	9.6
168.06532	19.1
184.68332	3.3
187.05260	2.8
191.10669	3.9
210.11253	100.0
215.04839	8.6
245.05965	5.3
251.68796	2.9
252.09787	6.9
259.11127	8.0
264.41510	3.4
291.06479	5.3
313.12158	10.1
388.15820	17.6
389.13892	6.1
389.18317	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	388.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43847	0.5
53.03934	1.9
54.03457	1.0
54.67244	0.6
55.01872	1.0
55.05527	2.9
56.05032	1.8
58.99587	4.6
67.04193	0.6
67.05492	1.8
68.05029	9.4
69.03431	2.3
69.07056	1.6
70.06583	1.0
70.65445	0.8
71.04995	1.2
76.02222	2.6
76.03991	1.1
79.05495	13.5
80.05015	4.7
81.03404	0.8
81.07057	57.1
82.06586	4.1
82.07386	1.9
83.04983	1.0
84.04504	49.6
84.08133	0.7
85.01106	0.7
85.02899	3.4
85.06542	0.9
86.06066	7.9
86.09673	1.2
86.99065	2.9
88.02210	1.5
91.05468	2.3
93.07039	2.0
94.06570	12.8
95.04969	1.1
95.08614	0.9
96.04491	3.6
96.08111	2.0
97.02902	0.8
97.06540	0.6
98.00650	1.2
98.06055	5.5
98.09696	3.2
99.04456	2.3
102.05514	1.4
103.05464	1.3
105.07037	2.1
106.06526	0.6
107.04973	0.7
107.08572	1.3
108.08086	0.8
109.02854	1.0
109.06506	1.2
109.10130	0.7
110.06022	1.9
110.09653	0.9
112.07611	1.8
113.04195	0.7
114.03791	1.8
114.05533	31.8
116.01673	15.2
117.06973	0.8
118.36748	0.5
119.08584	1.1
121.06471	2.6
121.10166	0.7
122.06042	5.7
122.09660	1.5
123.08073	2.1
124.07583	2.5
124.08381	0.6
124.11238	4.0
126.03754	4.9
126.71015	0.6
127.03889	0.6
128.07074	1.6
130.05005	26.4
131.05112	0.6
131.08565	0.8
133.10101	1.5
136.07535	0.6
136.11223	4.7
140.07069	6.0
142.03279	14.8
142.04991	46.5
143.05405	0.8
144.01115	3.3
144.04794	1.3
145.02824	0.9
145.10118	1.3
146.59604	0.5
149.09622	1.0
151.07524	0.9
156.06595	4.5
156.08427	1.4
156.10202	1.6
160.05971	0.8
161.12990	0.6
162.02177	4.2
163.11195	1.0
164.10696	4.9
166.12312	3.0
167.07033	0.6
167.10748	0.9
168.06566	17.0
170.02672	2.0
173.13339	0.6
177.05438	2.3
179.04875	1.6
180.14621	0.8
182.11728	0.7
188.03737	0.9
191.10728	1.1
191.14351	1.0
192.10144	0.7
199.05304	0.9
207.13808	0.7
208.14116	1.8
209.11809	0.7
209.15356	0.9
210.11256	100.0
211.11630	5.4
211.13480	0.8
215.06979	1.4
227.16420	1.5
229.06418	1.4
233.08131	0.8
245.05940	6.9
247.07480	2.1
250.69536	0.6
251.09389	0.6
259.11136	4.7
269.13437	0.9
273.05289	1.1
285.12732	1.0
291.06464	7.2
313.12143	5.0
325.70432	0.5
335.14902	0.7
342.14725	0.7
370.14099	0.6
388.15359	13.8
388.20496	1.3
389.15543	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01875	8.0
57.03438	6.1
60.04512	0.7
61.02932	4.7
62.36008	0.7
68.99807	3.2
69.03432	35.4
69.36484	2.5
70.03757	0.8
71.04998	4.4
73.02919	6.9
80.05042	0.5
81.03421	23.0
82.03763	0.9
83.01340	1.0
85.02908	100.0
86.03239	1.6
87.00832	42.8
87.04471	0.9
88.01171	0.8
89.03873	0.4
91.03964	1.8
97.02895	30.0
98.03195	0.7
99.04453	14.9
103.05457	0.7
105.01868	62.7
105.07028	11.1
106.02225	0.8
108.04478	2.8
109.02883	29.7
115.03957	1.4
117.01873	3.4
126.05518	1.5
127.03919	67.3
128.04262	1.9
129.01816	3.6
145.04961	35.6
146.05347	0.9
147.02873	2.5
159.02893	16.9
171.02931	1.0
177.03928	1.2
177.05431	0.9
183.02892	0.6
189.03978	4.3
213.04010	2.4
213.09209	1.6
230.06526	1.0
231.05006	24.2
231.10092	1.1
232.05450	0.6
248.07689	2.1
249.06085	6.5
266.08890	0.8
388.16098	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73283	1.0
53.03946	3.9
53.42706	0.9
54.92232	0.9
55.01875	2.9
57.03444	5.3
61.02911	1.3
69.03431	44.3
71.01370	2.2
71.04994	8.3
73.02921	2.2
79.05493	1.7
79.96613	1.0
81.03423	30.6
81.07046	1.3
81.32330	1.3
83.01327	2.4
85.02908	48.7
87.00829	29.4
87.04475	3.4
95.04973	1.1
97.02894	73.3
98.03240	1.9
98.22572	2.7
99.04454	27.8
101.02389	1.5
105.01862	22.1
105.07027	8.8
109.02870	8.9
115.03936	1.9
121.06544	1.4
123.08116	1.4
124.08512	1.1
127.03916	100.0
128.04312	2.7
145.04962	64.7
146.05360	2.0
163.11215	2.4
164.11607	2.3
171.02925	2.5
172.03905	3.0
172.18454	1.2
176.55602	1.1
190.97975	1.2
201.03847	1.4
204.06593	4.0
207.13815	1.7
208.14107	1.3
213.04045	3.3
215.93715	1.1
217.21080	1.2
228.99783	1.1
231.04994	57.9
232.05408	1.8
249.06065	19.8
250.06303	1.2
388.20627	1.9
389.20724	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	388.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01870	0.4
57.03433	0.8
57.52895	0.3
63.02377	0.5
65.03959	0.3
70.65551	0.7
71.40778	0.3
75.04448	0.3
77.03925	0.9
89.03403	0.5
89.03924	7.1
89.63210	0.3
91.05486	10.8
92.87934	0.3
93.07046	13.5
95.04974	2.8
97.87099	0.3
102.04677	0.4
103.05470	12.5
104.05804	0.5
105.04550	1.5
105.06998	0.3
106.04250	0.4
107.04963	0.4
117.03383	25.6
117.07041	0.3
118.03739	0.8
119.04939	1.5
120.05742	0.7
121.06510	59.5
122.06834	1.7
129.04459	0.3
134.03622	1.8
135.04407	1.2
136.05162	0.7
137.05972	0.3
145.02852	65.8
146.03195	2.3
147.04443	0.8
149.05983	8.0
150.06361	0.4
151.07536	0.7
159.04375	0.3
160.05139	0.3
161.02295	0.5
162.03139	6.6
163.03970	1.4
171.04424	0.8
173.02409	0.4
174.03133	0.9
175.03935	1.6
177.05472	100.0
178.05856	3.9
181.04924	0.3
186.05533	0.7
189.05516	0.6
192.06541	0.7
194.08163	0.6
196.28026	0.3
202.05370	0.3
203.07097	0.8
215.07089	1.3
219.06538	12.3
220.06830	0.4
220.09775	0.3
233.08105	0.8
251.09158	36.6
252.09421	2.0
280.23749	0.3
314.13870	8.0
315.14191	0.8
346.10196	0.3
356.15152	0.3
388.17560	27.1
389.17737	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	388.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64080	0.5
53.03959	2.4
57.03448	1.0
62.98706	0.6
64.61770	0.6
65.03958	0.9
69.13254	2.3
69.13676	1.9
77.03958	1.0
78.04731	0.6
79.05499	1.1
81.84304	0.6
89.03917	6.2
91.05490	11.1
93.07048	13.9
94.04216	0.8
95.04987	2.4
95.08663	0.7
97.68685	0.5
103.05472	12.6
105.04538	1.5
105.07058	1.9
111.36536	0.7
115.05466	1.5
117.03387	23.0
118.03692	0.7
119.04961	2.0
120.05788	0.7
121.06512	61.3
122.06855	0.8
123.08062	0.8
131.04895	1.2
131.70494	0.6
134.03648	1.9
135.04442	1.3
137.05974	1.7
143.04881	1.0
144.05733	1.4
145.02850	60.8
145.10136	0.6
146.03114	1.3
147.04417	1.3
149.05981	6.1
151.03938	1.8
151.07596	1.5
155.04921	4.4
159.04483	0.7
159.08029	0.8
161.06012	1.0
162.03122	6.1
163.03885	1.8
171.04422	1.3
172.05200	2.3
174.03140	0.7
175.03929	2.0
177.05473	100.0
178.05864	5.0
181.05038	1.1
183.04434	2.8
184.05389	0.7
187.07550	3.4
191.07076	0.8
192.06496	0.9
200.04703	5.6
203.07005	2.6
215.07051	21.8
216.07356	1.6
219.06503	13.1
220.06668	0.8
233.08081	11.5
242.64734	0.6
251.09160	35.4
252.09436	2.3
314.13882	8.8
388.17340	21.9
389.17621	2.7
408.42044	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	388.2119
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
50.41020	0.3
53.03948	0.5
55.01852	0.5
55.05497	0.6
66.79844	0.3
67.05499	0.7
68.05021	0.3
69.03429	3.9
69.07034	0.4
69.63339	0.8
71.04960	0.4
73.64711	0.3
77.03904	0.3
79.05482	1.8
80.05022	0.5
81.03423	0.5
81.07058	1.4
82.06589	0.9
83.01351	0.7
83.04972	0.4
83.07362	0.5
84.08105	0.6
86.06075	0.5
86.09724	0.3
91.05477	2.2
92.49624	0.3
93.07072	1.8
94.06544	0.3
95.04962	0.8
95.08598	0.5
96.08132	5.0
98.06046	0.3
99.04472	0.7
105.07018	1.2
106.06561	0.5
107.04944	0.4
107.08588	1.1
108.08099	0.6
109.06516	0.6
110.09682	0.4
111.08045	0.4
117.07015	0.7
118.06497	0.3
119.07285	0.3
119.08578	1.2
120.08108	1.2
121.06485	0.9
122.09699	0.4
124.11244	0.4
127.03916	1.3
128.10736	0.5
129.07011	0.7
131.08551	0.8
133.06496	0.4
134.09628	0.6
135.08055	0.5
136.11223	2.1
137.05957	0.5
138.12779	11.4
139.07567	0.4
139.13123	0.4
141.05458	0.4
141.06979	0.3
143.08589	0.4
143.21565	0.3
145.06470	0.5
145.10143	0.6
147.08034	0.8
148.07547	0.9
148.11163	0.3
149.09570	0.4
151.03918	0.4
151.07567	0.5
152.10695	0.4
153.05484	0.5
155.03387	3.0
155.07066	0.8
159.08049	1.3
159.11749	0.5
161.06015	0.4
162.09125	1.4
162.12788	2.0
163.11185	0.4
164.10809	0.4
164.14453	0.5
165.05467	1.1
166.12292	0.4
167.06999	0.7
169.10115	0.5
173.05940	0.5
174.12872	0.4
175.07573	0.4
176.14328	2.3
177.09132	0.4
179.07109	0.3
183.06512	0.8
187.11195	0.6
188.14423	0.4
190.12206	0.6
191.10704	0.4
193.08607	0.4
195.06520	0.6
197.09637	0.6
204.13840	11.4
205.08578	0.4
205.14366	1.2
206.15346	0.8
207.06520	0.4
207.10118	0.3
215.10657	0.5
221.07999	0.5
232.16960	0.6
233.08145	0.7
234.18523	1.0
242.09288	0.3
243.10199	0.4
247.09755	0.6
253.08650	0.4
255.13820	0.3
260.16486	2.4
261.11078	0.5
261.16809	0.5
262.18115	0.5
263.09119	0.9
273.11389	1.8
275.12778	7.1
276.13181	0.5
285.11136	0.5
341.17538	0.5
360.21643	0.7
370.20367	0.4
388.21185	100.0
389.21527	10.3
389.25516	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	388.2118
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
52.10044	0.4
53.03944	0.5
55.01872	0.5
55.07056	0.4
67.05508	1.0
68.05035	0.7
69.03435	4.1
69.07077	0.4
69.19746	2.3
71.04993	0.7
79.05477	1.7
80.05019	0.6
81.03442	0.4
81.07056	1.7
82.06586	0.9
83.01343	0.7
83.07370	0.7
84.08117	0.4
91.05491	2.3
91.30367	0.4
93.07046	2.0
95.04951	0.7
96.08123	4.1
98.23415	0.6
99.04477	0.8
105.07040	0.9
106.06572	0.9
107.04973	0.5
107.08608	0.8
109.06511	0.4
117.07037	0.9
118.06516	0.5
119.07339	0.4
119.08587	0.9
120.08119	1.7
121.06512	0.7
124.11250	0.5
127.03909	1.1
128.10748	0.5
131.08569	0.7
134.09659	0.5
135.08020	0.4
136.11215	1.5
137.05977	0.5
138.12782	10.9
139.13109	0.4
141.05484	0.4
145.06505	0.7
145.10118	0.4
146.09656	0.4
147.06775	0.6
147.08046	0.5
148.07578	1.3
150.01749	0.4
155.03426	1.4
155.07039	0.5
158.09641	0.3
159.08038	0.7
159.11731	0.4
161.09645	0.5
162.09174	1.0
162.12778	2.2
163.11212	0.4
164.10739	0.9
165.05513	1.3
167.07045	0.6
171.08078	0.6
173.05965	0.5
174.12790	0.6
175.07545	0.6
176.14349	2.6
179.07083	0.5
183.06522	1.0
187.11142	0.7
188.14384	0.4
190.12271	0.7
197.09731	0.4
204.06543	0.5
204.13840	14.3
205.08635	0.7
205.14383	1.3
206.15392	1.2
207.10208	0.4
215.10735	0.4
221.08107	0.5
232.16988	1.1
233.08134	0.7
234.18497	0.5
247.09703	0.6
253.08652	0.4
260.16440	2.9
263.09027	0.6
273.11115	2.8
275.12787	7.2
275.15659	0.6
276.13278	0.6
285.11157	0.7
341.17508	0.5
360.21762	1.1
370.20340	0.7
388.21185	100.0
389.21552	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	388.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10479	0.4
56.05035	1.2
56.33362	0.5
58.85316	0.5
66.33529	0.5
67.05506	0.8
69.07069	5.4
69.62664	2.2
70.06596	1.1
72.08150	1.4
73.08473	0.5
79.05518	0.6
81.07036	1.1
83.06075	0.7
84.04506	13.7
84.08147	13.6
85.08464	4.2
86.06072	0.5
86.09707	100.0
87.10040	2.7
91.05509	0.7
102.05547	4.7
110.07164	1.3
116.07132	1.4
129.10245	7.8
130.06570	0.7
130.10611	3.2
133.10173	0.5
137.05981	0.7
143.97752	0.5
144.06560	11.7
146.11758	0.9
156.07706	0.6
159.09245	1.1
162.07620	27.7
165.13701	0.4
171.61880	0.5
181.08475	0.6
197.16310	0.6
198.16833	0.6
199.18062	25.5
200.18425	0.9
227.17557	8.6
243.18962	0.8
260.20422	0.8
265.06924	0.5
272.17584	0.8
275.15976	9.7
336.36026	0.5
357.00870	0.5
370.12695	0.6
388.14011	0.7
388.30209	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	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.2
55.05516	1.0
56.05037	1.0
67.04241	1.2
68.05031	10.3
70.06602	2.1
71.28536	0.9
72.08160	5.7
74.06083	0.9
80.05029	1.9
81.04589	1.0
82.06583	2.9
83.06107	8.5
83.72628	0.5
84.04504	2.9
84.08153	3.5
85.02921	2.2
86.09711	10.5
87.38995	0.6
91.05505	0.6
92.05027	0.6
93.76163	0.6
94.06551	0.7
95.05143	0.6
95.06093	17.0
96.06876	30.9
97.07663	5.2
98.06058	1.2
99.05569	1.2
100.03996	1.4
101.07161	1.0
105.07003	0.8
106.06525	0.7
107.06079	4.3
109.07645	100.0
110.07267	1.2
110.07980	2.7
111.05561	5.1
117.56556	0.6
120.04477	6.3
121.07631	2.8
123.05581	1.0
124.08714	12.5
125.07117	3.5
125.09054	0.7
126.05521	1.0
126.10273	6.2
129.10239	1.1
132.04414	3.7
133.07635	1.4
135.05553	5.7
135.09154	0.9
137.07108	0.7
144.06587	1.2
145.07639	1.7
146.06000	2.1
146.07042	0.9
147.07974	1.5
148.08691	1.8
149.07103	1.9
153.05370	1.3
153.06592	21.6
154.07047	0.8
155.11754	1.0
160.08733	3.0
161.09216	1.5
162.10269	8.1
163.08643	2.4
165.09137	11.7
167.08214	1.0
170.09256	25.5
171.09500	0.8
172.08727	2.1
173.12854	2.7
174.05518	21.0
174.07025	1.3
175.05852	1.7
178.09772	1.0
180.11293	4.0
183.11281	0.6
187.14349	1.0
188.08150	2.3
189.12350	1.0
190.09778	12.1
192.07619	0.9
193.08649	4.5
200.13893	0.8
201.06525	0.9
201.12376	2.3
202.04990	27.4
203.05334	1.3
206.09250	12.4
208.08853	1.1
208.10817	22.2
209.11307	1.0
211.09660	5.2
215.13933	0.8
220.05965	1.5
224.10342	4.1
227.12566	1.0
234.08748	9.0
252.09799	83.8
253.10045	4.3
258.46756	0.6
270.10864	5.5
327.14325	1.7
371.13504	17.6
372.13672	2.0
389.14197	80.0
389.24924	1.8
390.14560	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	389.178
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
57.84874	0.4
69.03420	0.4
70.06603	0.5
70.98061	0.6
84.04511	1.0
84.08141	1.1
85.02915	0.8
86.09715	1.0
88.27319	0.3
88.54356	0.4
99.82632	0.3
101.91471	0.3
106.53812	0.3
107.04993	0.4
109.02881	0.5
130.06541	0.5
135.04440	0.5
163.03906	1.0
175.75043	0.4
179.18024	0.3
182.74503	0.4
203.05292	1.1
209.11543	0.8
221.09457	0.3
227.12674	0.9
272.07608	0.4
273.09567	1.2
359.16791	0.6
360.60944	0.4
371.16986	0.8
389.17822	100.0
390.18179	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	389.1808
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.16408	4.0
55.01862	4.5
55.05510	8.6
57.07060	5.0
57.54980	3.8
59.02081	3.7
59.64259	3.9
60.36688	3.3
67.05520	20.2
69.07070	4.9
70.06588	10.8
71.05013	24.3
71.28308	5.3
72.08156	46.2
74.06082	6.3
74.89229	4.2
79.05498	28.2
81.07069	8.2
83.04977	9.8
84.04514	10.9
84.08158	5.4
85.02908	7.9
85.06545	100.0
85.23947	3.3
86.06042	4.5
86.09712	60.0
91.05494	23.4
93.07044	21.8
95.04984	7.6
99.08099	7.7
101.07198	5.9
105.07048	20.9
107.04977	12.9
107.08601	30.2
109.06514	5.5
111.04459	16.8
117.07051	7.9
118.08617	5.7
118.41225	4.5
119.08561	19.9
121.06564	18.2
121.10143	15.3
123.04424	53.2
124.08711	5.8
125.05962	7.7
129.06995	8.2
129.10214	5.4
131.08565	70.7
135.04439	8.5
135.11700	6.2
136.48569	4.0
137.09589	5.1
139.03944	8.8
145.10136	31.7
147.08058	5.3
149.09622	62.2
153.01855	8.7
162.02147	4.8
163.07458	7.7
163.11186	15.8
165.09132	11.5
167.10704	29.6
173.09438	8.8
173.12909	9.3
189.12337	6.6
191.10684	73.5
201.12305	5.0
209.11736	98.0
217.15352	4.6
227.12767	97.2
228.13165	5.9
255.01904	4.2
273.07617	19.0
389.07446	4.0
389.18124	19.1
389.24716	8.4
390.18530	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	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76496	7.1
53.64770	7.1
55.05506	15.3
56.05037	8.8
57.10422	8.0
67.05509	10.7
69.03423	11.6
69.07058	21.3
70.06585	23.1
70.65777	12.7
71.04997	9.5
72.08158	45.8
79.05494	14.9
81.03398	9.9
81.07062	27.2
83.06117	8.5
83.08645	7.7
84.04500	25.3
84.08139	22.5
85.02901	20.0
86.09700	100.0
87.05581	10.9
88.03991	11.5
90.85724	7.1
91.05471	15.1
93.07080	39.5
95.04973	63.5
95.06062	14.0
95.08607	13.6
96.06883	15.2
97.06540	41.5
99.04478	18.2
99.08150	9.3
101.55540	6.6
102.05521	9.4
105.07043	18.2
107.08627	36.8
109.06516	37.6
109.07647	53.4
109.10175	9.8
109.86581	7.1
115.07579	32.7
116.01617	7.9
119.08641	8.5
120.04482	10.0
120.17324	6.7
121.10149	64.0
124.08723	13.2
129.10193	8.2
133.10152	40.1
141.10323	9.4
144.06404	8.1
147.11691	26.5
153.06567	10.7
153.09077	27.3
155.11821	14.2
162.07530	7.1
163.14821	16.0
165.12662	8.2
167.07051	11.0
168.07503	8.6
169.07449	11.4
170.09259	19.4
173.13170	32.5
174.05527	18.9
177.18338	8.2
179.57024	6.9
183.11261	12.7
191.14403	44.3
200.13940	37.2
201.12262	17.0
202.05032	24.0
206.09283	11.3
208.10797	17.6
209.15282	57.5
210.15746	7.5
218.53304	8.2
218.82278	8.0
227.16440	33.8
252.09792	47.0
303.62799	7.1
329.02914	11.7
331.59128	7.1
371.13599	11.9
389.13910	31.7
389.17685	89.6
389.23059	13.9
389.24850	11.3
390.18176	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	390.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
56.96515	0.8
65.03936	1.0
68.98795	0.7
69.03195	5.2
71.08614	0.8
73.02902	0.9
79.05493	1.1
81.34716	0.8
83.01344	2.0
86.09711	0.9
88.11266	4.3
88.29771	0.6
89.03938	4.7
91.05504	1.4
93.03388	3.1
93.03896	0.7
93.07059	1.1
95.04954	1.2
98.22696	1.3
101.02377	2.0
107.04959	5.0
111.04452	7.2
117.03389	7.7
121.06512	16.3
122.06804	0.8
123.04411	2.8
129.01768	0.7
135.04427	21.4
136.04785	0.8
138.09116	4.1
139.03894	12.6
145.02869	10.4
146.03192	0.9
153.05507	3.9
155.19788	0.7
163.03909	100.0
163.37442	0.8
164.04271	2.9
165.05478	1.7
175.02338	0.9
181.04945	1.0
203.38286	0.9
217.03354	0.8
252.87296	0.8
309.06064	1.5
313.05627	6.1
352.25940	0.7
355.06607	23.2
356.07034	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	390.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71543	1.3
71.64027	1.3
85.02911	3.7
86.09694	1.5
89.03920	8.6
95.04961	1.2
99.09738	1.5
107.04964	1.8
117.03397	9.3
135.04433	18.6
145.02859	11.0
163.03922	100.0
164.04286	5.1
165.09241	2.0
166.12282	1.5
193.04979	10.2
197.06105	1.2
229.09392	1.4
326.19632	1.4
372.20154	4.8
385.49207	1.4
390.18033	1.8
391.19263	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08130	0.6
55.01862	0.6
56.05022	0.5
57.03450	0.9
67.05490	0.7
67.37568	0.5
68.05025	1.1
69.03418	2.6
70.06580	1.0
74.02441	2.1
81.03434	0.8
81.07049	0.9
83.06091	1.6
85.02425	1.1
85.02902	11.8
91.05449	0.9
95.06087	2.0
96.06895	3.1
97.02889	2.0
97.06561	0.7
97.07152	0.9
98.07957	0.7
105.07032	2.4
107.06081	0.8
109.02838	1.2
109.07639	12.1
109.08344	1.0
109.10156	1.9
110.07327	1.0
110.07982	6.8
119.08580	1.3
120.04483	0.8
124.08730	1.7
125.07115	0.7
125.09013	1.0
126.10318	0.8
127.03931	2.1
127.10658	0.6
127.51566	0.7
129.77203	0.7
133.06473	2.6
135.05472	0.9
135.08092	0.6
137.09593	5.9
145.04927	1.0
147.08038	2.3
147.11732	0.7
149.02324	1.2
149.09599	2.4
151.07571	1.1
153.06609	2.7
154.06885	1.8
161.05966	4.3
163.03868	0.8
163.08603	0.7
165.09119	100.0
166.09486	3.9
170.09264	3.6
171.09648	0.9
174.05504	1.8
175.05843	2.0
175.07576	2.3
180.08652	1.3
188.08215	0.7
190.09772	0.9
191.10097	1.4
193.08612	30.4
194.08931	1.6
201.12621	0.7
202.04968	2.2
203.05357	3.0
206.09349	1.0
207.09613	1.4
208.06396	1.0
208.10858	1.9
209.11137	2.2
210.02229	0.7
210.15012	1.4
211.09654	28.1
212.09891	1.0
234.08594	0.7
235.09013	1.0
252.09798	6.5
253.10103	8.9
372.13751	3.9
373.13916	0.6
390.14575	16.9
391.15070	0.7
408.15268	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.1
68.05010	10.3
70.06596	9.0
71.30817	9.6
73.39378	5.3
81.03405	5.7
83.06106	6.9
85.02890	17.4
91.05482	17.0
95.06129	8.0
96.06905	12.7
97.02886	8.1
103.05502	8.2
105.07030	61.7
109.07642	47.7
110.07978	17.8
115.05461	17.8
119.04949	9.7
121.06495	6.1
132.04427	6.0
133.06506	45.5
135.04555	7.1
137.05954	46.0
148.13309	5.1
149.02315	8.4
149.05992	17.9
153.06548	6.1
161.06012	100.0
174.05569	7.6
179.06982	6.1
193.05063	7.3
193.08609	77.0
202.05038	10.9
203.05441	10.7
208.10837	9.8
211.09616	12.3
252.09778	15.3
253.10098	23.3
254.30946	5.4
258.51440	5.4
264.90665	6.5
329.10242	6.9
372.13779	12.2
390.14459	47.9
390.19116	6.5
391.14905	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06016	3.4
57.03439	5.3
61.42265	3.0
69.34108	11.1
69.34517	6.5
70.06609	5.4
72.08167	5.3
79.05502	9.6
80.96349	3.5
81.07066	13.9
83.50405	4.2
84.04501	10.1
85.02916	5.8
86.09715	3.7
95.04990	4.1
97.02914	4.3
103.05466	5.6
105.07029	45.4
107.04942	7.1
109.07681	4.0
114.05581	7.5
115.05490	2.9
116.01658	5.0
117.27116	2.9
118.04105	3.8
120.08111	7.2
124.08695	4.2
125.01537	28.4
130.05003	4.1
133.06505	38.1
135.04424	11.6
136.05208	5.8
139.03922	3.8
142.04997	9.9
143.06105	3.7
153.01033	17.2
161.05978	78.3
168.06648	4.2
171.02071	100.0
177.61681	3.7
189.53406	3.4
193.08614	52.2
201.12163	5.8
210.11310	15.5
236.65269	3.5
248.25105	3.4
252.10017	4.5
390.14920	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	390.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69744	1.4
56.05019	1.5
66.44157	1.3
70.06593	5.6
70.69065	2.3
71.06924	1.3
72.08159	5.4
74.06093	2.5
84.04501	7.4
84.08153	10.8
85.08469	2.4
86.06087	1.8
86.09709	5.6
91.05475	4.2
93.07056	6.7
102.05560	5.3
103.05466	4.2
108.26970	1.5
110.07181	6.2
121.06519	100.0
122.06849	4.4
128.95815	1.3
129.10265	5.2
130.04990	2.1
130.10596	1.4
138.09152	28.9
147.07693	1.5
156.07710	3.5
163.03964	2.4
199.59564	1.4
287.10223	1.6
304.34277	1.5
313.25906	1.4
339.98203	1.6
390.25064	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	390.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	5.1
70.41607	1.4
70.70626	2.4
70.70959	2.2
71.06934	1.2
72.08158	5.5
74.06091	1.5
74.35977	1.3
81.74021	1.4
83.59728	1.3
84.04505	5.5
84.08132	9.4
85.08470	2.3
86.06071	1.8
86.09715	5.2
91.05486	2.9
93.07035	5.4
98.08327	1.5
102.05556	3.0
103.05459	4.4
110.07169	4.1
121.06508	100.0
122.06876	3.0
129.10254	5.5
130.05005	1.5
130.10605	2.6
132.41164	1.3
138.09140	24.0
147.13144	1.2
149.02312	1.7
156.07729	2.7
158.93439	1.4
163.03879	1.4
198.34433	1.2
215.90358	1.3
287.10092	1.4
343.59348	1.4
390.25137	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	390.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
55.13145	1.7
63.25616	1.8
70.06603	3.0
71.08633	21.2
72.08167	2.9
82.06575	15.7
84.04511	9.0
84.08141	9.0
86.09721	18.8
88.11272	100.0
89.11588	2.5
99.09227	7.2
102.05549	3.4
104.05386	2.0
110.07169	2.4
120.08112	2.8
129.06502	2.1
129.10210	5.6
130.05008	3.1
130.90590	2.1
148.06018	6.2
149.02386	2.3
154.62196	2.1
163.03905	2.5
197.12924	3.9
215.13969	5.5
275.13870	5.2
292.16547	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	390.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.8
59.05013	4.6
67.05502	8.3
69.19374	27.9
70.06564	4.9
70.89928	4.5
71.04986	25.2
77.26327	3.6
79.05486	11.2
81.07043	30.9
83.04953	6.9
84.04519	4.6
85.02914	12.9
86.09663	5.3
87.93040	3.6
91.05476	4.3
93.07065	7.4
94.46472	4.2
95.08605	42.7
97.06509	5.6
99.04453	100.0
99.08092	6.4
101.06020	14.7
105.07022	25.5
106.42131	4.2
107.08554	5.2
109.20454	4.1
119.04953	4.9
119.08572	7.7
123.08077	29.9
129.49596	4.5
133.10118	17.6
137.06021	5.1
141.09102	86.0
142.07767	8.2
147.11650	7.3
149.02322	9.7
157.10139	17.0
163.03931	8.0
167.08580	4.1
175.11177	97.4
176.11507	8.0
193.12244	48.2
194.12675	4.2
210.11168	5.2
257.99234	4.4
307.22302	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	390.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03696	0.8
55.05536	1.0
57.03455	1.0
57.07056	0.9
60.62670	0.8
67.05502	3.3
68.05041	1.6
68.83189	0.9
69.03451	1.3
69.07068	0.9
71.05007	4.8
71.05342	0.8
71.32204	1.0
74.84276	0.8
79.05506	2.8
80.04568	1.8
80.05025	28.7
81.07076	2.7
82.06599	3.3
83.04994	1.3
85.02898	5.5
85.33215	0.8
90.01219	0.8
91.05497	1.5
92.04990	0.9
93.07069	2.3
94.06564	6.7
94.92265	1.0
95.04981	15.5
95.07335	1.0
95.08582	1.1
96.08138	1.5
98.06071	1.5
105.07059	2.5
106.06564	5.7
107.04926	0.8
107.08614	2.2
108.08137	1.7
109.10181	0.9
110.06059	1.0
117.03400	1.0
119.08603	0.9
120.08128	3.6
122.05971	1.0
122.09673	1.4
123.04422	1.4
125.09625	1.9
131.08588	1.7
132.08099	1.7
138.09142	11.7
140.10709	1.6
141.05431	1.1
146.09691	1.5
147.51871	0.9
148.07585	7.3
148.11208	12.2
150.09126	1.8
154.12282	2.4
155.06929	1.0
158.09654	1.2
159.11682	1.0
160.07607	2.6
163.03897	6.2
164.10727	1.1
165.09109	1.0
166.08656	1.5
166.12282	44.2
167.12642	2.7
172.07603	2.5
174.09146	1.1
176.10712	2.1
177.60095	0.9
182.15414	1.3
184.09724	4.0
184.13322	1.5
186.09132	1.9
186.12828	1.2
192.13829	1.1
194.11848	1.4
202.12260	1.5
204.13863	2.3
206.15424	4.0
214.12239	4.2
220.13326	7.2
224.16464	17.0
232.13338	11.1
234.14925	2.2
250.14383	7.0
252.15964	3.4
256.16934	1.2
264.19617	2.6
268.15564	1.4
270.17072	5.8
272.16489	1.8
282.20691	2.2
286.16644	2.0
290.17462	9.7
292.19031	1.9
300.15970	1.1
308.18561	13.5
309.18567	1.5
310.20221	2.8
318.17163	1.7
326.19650	35.9
327.20038	2.4
336.17944	8.9
344.20663	6.6
354.19086	5.3
372.20197	100.0
373.20569	8.0
390.21387	8.7
405.72870	1.1
406.37775	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	390.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.2
70.88120	2.9
70.88441	2.4
79.05486	2.7
81.07054	9.9
85.02902	5.0
91.05486	6.1
93.07090	4.8
93.70013	2.7
95.08601	13.7
99.08079	5.9
105.07041	10.5
107.08588	15.4
109.10162	4.0
113.09712	2.9
119.08583	59.7
120.08936	2.6
133.10130	91.8
134.10484	3.3
135.11673	23.5
147.11713	3.0
149.02405	4.1
152.83960	2.2
175.14830	100.0
176.15152	5.3
193.15871	24.7
211.16922	37.4
220.85606	2.7
242.55756	2.3
341.50641	2.7
348.25510	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	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.9
55.60458	5.9
57.03463	6.1
67.05508	29.6
67.30320	6.2
69.03440	24.0
69.07058	20.2
70.60022	11.3
75.31661	6.4
81.07047	27.8
83.04962	13.4
83.08630	10.3
85.02912	30.8
85.90999	6.4
86.09709	8.7
93.07073	10.8
94.06628	8.3
95.08630	34.5
97.02911	7.1
99.08124	11.1
100.07652	9.3
105.07033	13.7
107.08601	21.9
108.08101	8.7
108.11475	6.2
108.17764	6.4
109.06543	17.2
109.10167	100.0
110.09684	9.2
119.08588	59.6
121.10130	16.1
123.08070	18.6
123.11739	10.8
124.11240	7.5
127.03965	7.4
133.10155	41.0
135.11691	88.7
137.09631	16.8
138.09164	8.6
146.09613	8.0
149.02345	12.1
151.11163	18.2
151.14825	15.6
164.96608	7.0
166.08601	7.8
171.46266	6.7
175.14813	90.8
189.39629	6.1
192.74652	6.1
193.15932	81.7
204.06554	13.2
211.16934	66.9
241.09657	6.0
247.09671	19.6
276.12216	8.5
390.22717	88.8
391.17215	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	390.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64127	4.5
55.05515	7.0
59.04987	6.8
65.03922	5.4
69.07076	13.0
81.03406	5.3
81.07066	14.6
86.09727	6.5
91.05479	11.6
93.07043	74.2
95.08604	7.4
104.56513	5.3
105.06991	13.2
107.00472	5.6
107.08590	33.8
109.10152	11.0
119.08612	15.3
133.10133	12.4
135.11703	100.0
146.77931	5.6
149.02324	28.4
149.54672	5.4
153.06909	5.7
154.66431	5.3
160.36501	5.3
175.14754	27.3
221.04729	5.3
267.08990	8.3
277.10471	12.1
285.10132	7.3
360.34781	6.2
390.18820	37.9
391.21957	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	390.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12682	19.8
55.05504	38.7
58.69841	21.4
61.91673	18.4
62.46878	20.7
69.03419	23.9
69.07057	28.5
71.05003	27.2
71.29411	20.4
71.50822	17.4
81.07073	52.2
91.05483	23.6
93.07047	83.4
93.43322	20.3
95.08633	28.7
97.10188	48.9
97.10892	16.0
105.07054	29.1
107.08588	37.1
109.10201	34.7
121.10162	64.4
136.27403	18.9
137.09552	18.5
139.11240	23.4
145.10120	41.0
149.02361	82.8
151.07573	31.6
301.21649	36.9
341.09570	21.3
390.21924	31.5
391.21115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03196	26.3
53.98880	26.6
55.60297	26.5
67.05519	47.4
70.80457	60.0
71.08606	29.2
81.07049	70.8
85.06554	70.9
89.06022	63.5
89.47374	28.2
93.07061	100.0
95.08636	64.2
105.07035	51.7
107.08650	48.5
109.10182	29.2
119.08591	78.0
121.10177	63.0
128.67673	29.1
133.10120	46.7
149.13275	36.8
161.13304	43.8
163.14848	49.5
163.43019	27.7
352.35095	27.8
390.18152	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	391.0658
Annotation	Trifuhalol A
Peak:m/z	Relative Intensity
50.66703	0.5
69.33981	3.0
85.57986	0.5
93.89501	0.4
93.89996	0.5
120.42854	0.4
137.05957	1.0
149.02313	1.4
160.01576	0.8
160.12270	0.5
175.03851	0.8
188.01024	1.4
201.01791	0.6
203.03429	2.1
205.01239	0.7
206.02063	2.2
207.02820	0.6
213.01799	0.6
216.00546	0.7
217.01253	0.4
219.02591	0.5
221.04454	1.0
223.11650	0.4
231.02895	6.1
234.01613	2.6
241.01259	0.7
243.99924	0.9
245.00764	1.4
249.00369	0.7
249.03877	3.2
257.00781	0.8
258.01559	0.7
259.02304	5.9
260.02667	0.7
261.00439	2.0
262.00998	2.0
267.01309	0.5
268.26074	0.4
269.00742	2.0
271.02328	0.5
271.99496	1.6
272.02545	0.5
275.01773	0.5
277.03421	3.7
278.33020	0.4
280.02585	0.6
281.00940	0.5
282.01309	0.5
285.00275	1.1
286.01151	0.5
287.01865	6.4
290.00598	3.6
291.00842	0.5
297.00269	1.9
299.99014	6.5
302.98230	0.5
303.01318	2.6
305.02673	0.9
310.00934	0.7
314.00726	0.6
315.01349	18.0
316.01685	1.2
318.00012	8.4
319.21451	0.4
324.99734	0.6
328.02069	1.4
331.00818	2.3
332.01599	1.3
332.98337	1.1
333.02386	22.0
334.02695	2.2
340.02133	1.2
343.00885	7.1
345.99585	10.9
346.99911	0.8
347.03885	1.3
358.03226	10.0
360.01117	0.7
361.01877	73.0
362.02206	6.2
375.03571	0.5
376.04233	43.7
377.04593	3.9
391.06586	100.0
392.06955	9.7
392.23645	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	391.0661
Annotation	Trifuhalol A
Peak:m/z	Relative Intensity
51.37388	0.8
58.14536	0.7
69.35179	2.3
69.35591	2.6
73.41286	0.7
91.05469	0.9
95.04960	0.7
104.12861	0.7
119.08559	0.8
119.53724	0.6
121.06544	0.9
131.08614	0.8
137.06029	0.8
149.02327	4.8
157.32130	1.0
157.84584	0.7
160.01622	1.0
185.68263	0.8
186.42958	0.8
203.03394	2.6
206.02095	2.1
219.02914	0.8
221.04524	1.5
229.12167	1.0
231.02888	6.0
234.01599	3.4
245.00922	1.4
247.02493	1.0
249.04018	2.1
257.00882	1.2
259.02396	7.2
261.00360	2.1
262.01166	2.3
269.00873	1.7
271.99554	1.6
275.01859	1.8
277.03534	3.1
285.00449	1.2
287.01862	7.6
288.02219	1.1
290.00638	5.2
297.00238	2.7
299.99033	8.4
303.01279	2.9
305.02704	1.1
310.00916	1.0
312.02704	0.8
314.00455	1.0
315.01349	17.7
318.00092	9.8
328.02078	1.2
331.00980	1.7
332.01746	1.0
333.02417	24.3
334.02917	2.0
340.02393	1.4
343.00891	7.1
345.99585	11.4
347.00015	1.4
347.03946	1.0
352.55844	0.7
358.03204	9.4
361.01907	64.4
362.02359	3.6
376.04269	40.6
377.04645	3.1
391.06595	100.0
391.20938	2.3
392.06760	6.8
392.10718	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	391.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.0
57.07069	13.8
62.58356	7.7
67.05476	10.9
68.99805	7.9
69.03432	19.4
69.72573	14.9
69.72979	22.8
71.04996	30.3
71.08617	11.0
79.05502	10.2
81.03416	23.3
85.02912	52.7
85.06534	8.5
87.00838	20.3
90.11214	7.3
95.04965	37.5
97.02921	20.1
97.10165	18.0
105.01868	12.9
107.08585	51.8
109.02904	11.4
109.06486	10.7
125.09633	75.7
127.03916	30.4
137.09633	11.7
143.10683	100.0
145.04951	10.0
149.02344	71.9
159.02914	12.9
159.11679	11.1
167.03389	8.3
167.10719	31.1
179.10707	8.3
233.11757	10.2
404.73511	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84885	0.3
57.07075	0.3
67.05539	0.3
69.78119	1.1
70.06590	0.7
79.37983	0.3
84.64248	0.3
88.07635	0.2
98.23283	0.4
100.04418	0.3
135.78680	0.3
143.08449	0.4
149.02361	2.6
197.04491	0.3
317.20734	0.6
329.32434	0.3
390.35852	1.3
391.24545	100.0
392.24911	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.4
64.31734	0.4
69.59741	2.0
70.06580	1.2
71.08617	1.0
76.11851	0.5
81.07051	0.8
91.05467	0.5
93.07044	1.0
95.04951	0.6
105.07066	0.8
119.08546	0.6
130.77962	0.4
143.08586	0.5
145.10132	0.6
149.02353	3.4
155.44548	0.5
173.13231	0.5
188.32111	0.4
200.70653	0.4
241.15565	0.6
265.37607	0.4
301.89050	0.4
328.32217	0.7
329.32349	0.7
334.22113	0.5
390.35733	1.3
391.24545	100.0
392.24820	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85984	1.5
53.03959	2.7
53.88781	1.5
55.01876	2.3
55.05511	7.4
57.07092	4.5
64.09337	1.5
65.03960	3.0
67.05519	13.4
69.03446	2.7
69.07087	6.9
71.27931	1.8
76.72753	1.5
79.05496	18.1
81.07056	29.3
82.07439	1.4
83.04977	3.8
83.08639	3.8
85.06564	4.3
88.07668	2.5
91.05492	25.6
93.07050	31.4
95.04967	32.5
95.08615	14.0
97.06578	2.8
103.05490	3.0
105.07033	48.9
107.05077	2.4
107.08603	18.9
107.09166	1.9
109.06498	8.2
109.10202	7.1
115.05524	3.3
117.07030	10.6
119.08583	35.0
121.06540	10.2
121.10168	16.3
123.08084	3.4
123.11699	2.4
128.06265	6.9
129.07025	9.0
130.07834	6.3
131.08578	18.8
133.06540	2.8
133.10133	13.9
135.08124	4.7
135.11729	3.0
141.07071	6.8
142.07805	13.4
143.08586	19.8
143.09521	1.9
144.09343	2.9
145.06511	3.2
145.10135	26.3
146.10541	2.1
147.08124	6.0
147.11769	6.9
149.02411	7.2
149.09654	6.0
153.07042	3.6
154.07716	2.0
155.08566	9.7
156.09352	9.5
157.10152	26.6
157.11266	2.3
158.10918	2.8
159.08107	9.7
159.11729	12.7
161.09631	11.6
165.07121	4.6
167.08667	6.5
167.10757	3.7
168.09363	3.6
169.10136	14.5
170.10957	4.4
171.11716	18.3
171.12874	1.7
173.09724	5.8
173.13231	8.1
175.11299	6.1
178.07811	1.8
179.08559	12.5
180.09445	4.3
181.10121	10.7
182.10988	6.2
183.11688	15.0
184.12396	2.3
185.13257	7.5
191.08653	3.1
192.09367	5.9
193.10110	10.9
194.11017	6.6
195.11703	15.4
196.12570	5.1
197.09676	2.9
197.13293	13.8
198.10434	1.6
199.11287	5.5
199.15013	4.9
201.12773	3.7
205.10237	3.5
206.11006	6.5
207.11682	13.6
208.09076	1.8
208.12480	7.6
209.09914	2.7
209.13281	14.0
211.11313	5.2
211.14784	7.7
212.12056	2.0
212.15488	1.9
213.12869	4.4
215.14352	2.8
217.10197	2.3
217.16084	2.8
218.10989	4.0
219.11835	5.9
220.12604	4.2
221.13289	10.6
222.14009	2.2
223.11339	3.3
223.14839	7.4
225.12872	4.7
227.14360	3.1
231.11801	4.9
232.12575	3.3
233.13380	7.3
233.15462	1.7
234.14174	2.9
235.11206	1.8
235.14970	6.6
236.15546	2.7
237.12865	2.7
237.16481	3.2
239.14299	3.3
240.15173	2.2
243.11714	2.8
245.13483	4.5
246.14140	3.5
247.14983	5.9
248.15645	1.8
249.12947	3.0
249.16318	7.8
251.14508	3.9
251.18115	3.6
258.14191	2.2
259.14920	3.3
261.12976	1.9
261.16525	5.3
263.18127	5.2
265.19550	2.0
267.17508	3.3
269.13336	1.6
273.16504	4.7
274.17126	2.2
275.18137	4.7
277.19910	2.1
282.19870	4.3
289.19565	3.6
291.17535	3.6
293.19278	4.6
295.20782	2.1
297.18747	6.0
299.17804	3.5
305.19046	1.8
307.20825	3.7
314.31854	1.6
315.21060	2.1
317.19055	3.4
335.20279	5.3
345.25983	3.7
355.24255	2.5
373.25314	18.7
374.25925	3.4
391.26068	100.0
391.36417	6.0
392.26544	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	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31967	3.5
53.72338	4.1
55.05506	20.7
57.03433	9.7
57.07073	13.4
67.05509	24.8
69.07072	16.3
70.06593	5.5
71.08629	11.8
71.30558	4.7
79.05501	29.1
81.07056	51.2
83.08621	9.3
88.19245	3.7
91.05478	38.7
93.07039	44.1
95.00126	4.0
95.04974	39.6
95.08609	25.5
99.08059	6.6
105.07029	74.7
107.08596	23.9
109.06524	26.2
109.10168	9.3
114.69191	4.4
115.05479	6.4
117.07059	21.0
119.08581	62.6
121.06504	17.5
121.10151	23.5
123.08107	9.2
128.06259	8.0
129.07022	10.8
130.07808	7.8
131.08580	26.4
132.10242	6.0
133.06525	5.7
133.10107	23.1
135.08070	10.8
141.07039	5.7
142.07787	12.5
143.08578	32.8
145.06589	5.3
145.10129	46.6
147.08049	12.2
147.11716	13.1
149.02353	46.7
149.09590	5.6
154.07837	4.5
155.08615	13.0
156.09320	12.8
157.10150	31.4
158.07347	4.5
158.10774	3.9
159.08049	6.7
159.11681	25.8
161.09628	6.5
165.06995	8.4
165.12790	23.3
166.07700	4.2
167.08536	13.5
169.10101	30.1
170.10898	6.9
171.11710	17.2
173.13307	10.8
175.11220	5.6
179.08592	11.6
181.10175	15.2
182.10880	9.9
183.11748	23.0
184.12344	4.6
185.13326	6.9
187.11316	4.1
189.12733	5.5
191.14301	7.2
192.09415	5.7
193.10161	15.8
194.10971	7.6
195.11670	15.1
196.12498	5.3
197.13333	16.4
199.11319	6.4
199.14708	5.3
205.10117	7.2
207.11697	19.5
208.12447	9.8
209.13290	19.8
211.11194	4.4
211.14833	9.9
219.11754	6.1
221.13197	13.6
223.14841	9.8
225.12627	5.9
231.11853	7.5
233.13196	7.8
233.15324	5.5
235.14874	10.6
237.16148	5.0
240.56372	5.8
241.15797	7.0
245.13164	5.0
247.14864	5.8
249.16444	7.6
263.18027	4.7
266.43326	4.5
267.17322	7.2
291.17447	5.5
291.89371	4.1
317.24680	11.5
329.32349	8.7
335.20120	7.9
347.25949	5.0
373.12244	5.8
373.24939	6.4
391.16043	12.5
391.25095	100.0
391.35696	27.9
392.25769	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	392.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96589	1.7
57.03446	1.9
60.79801	1.9
71.16009	1.5
71.28522	1.9
76.02235	5.2
76.27709	1.7
77.27942	1.6
84.04523	5.2
84.08135	1.8
88.44897	1.6
91.05486	10.3
112.64847	1.7
114.03748	2.6
117.03721	10.6
119.04956	26.1
121.06505	22.8
130.05052	2.8
138.05534	8.6
138.09169	6.5
141.00096	2.9
142.03224	8.9
147.04419	100.0
148.04749	4.0
149.02338	2.5
151.67920	2.1
162.02188	4.1
182.40135	1.8
214.26952	2.1
230.09215	18.8
245.05893	3.4
245.09610	7.4
279.09299	4.2
393.13663	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
56.05035	2.4
57.03439	17.1
57.07077	1.3
58.99589	9.3
61.01158	1.3
62.98095	0.8
63.83696	0.7
65.03942	1.4
69.03423	1.0
69.79810	0.9
69.80152	2.9
70.06597	7.2
72.08159	1.2
73.01122	1.2
76.02232	51.7
76.03997	2.2
83.04983	1.2
83.06118	2.7
84.04510	26.0
84.08161	6.3
85.01138	1.6
85.02905	3.4
85.06548	24.4
86.09705	1.9
86.99060	2.7
87.02689	1.5
88.02219	2.9
89.00627	3.1
91.05481	0.9
96.08153	0.9
97.02930	0.9
99.02679	6.1
99.53530	0.8
102.05584	1.6
104.05334	1.2
105.07038	1.0
107.06059	0.9
108.08111	0.9
109.06560	1.2
110.07142	4.6
112.03976	2.7
115.05830	1.2
116.01691	15.2
116.05347	1.1
116.07060	1.3
117.03721	100.0
118.04079	2.1
121.06500	5.1
124.02227	1.0
125.04229	3.7
129.06607	7.3
130.05009	15.2
142.03214	3.0
142.06882	8.3
142.08636	1.9
143.05226	6.0
144.01157	8.9
145.06145	1.2
149.02350	1.5
149.05962	5.0
151.07613	1.2
152.08144	0.9
153.05499	1.5
154.70422	0.8
160.07924	23.1
162.02205	30.5
167.07079	2.3
172.11597	1.4
179.04860	23.5
182.08086	0.9
187.05386	1.6
195.06522	2.9
213.12328	5.5
215.04918	0.9
217.13718	1.6
230.13933	1.9
233.05899	4.6
240.94791	1.0
245.09558	83.1
246.07770	7.7
246.09943	2.9
263.10590	6.5
299.10541	1.9
308.09079	1.3
317.11636	12.9
318.11948	1.0
329.11847	0.8
392.18326	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42744	5.0
69.43150	11.2
69.85941	2.6
70.06586	2.9
71.05029	4.1
73.01134	4.4
74.16090	3.2
76.02231	3.8
76.84519	2.4
79.05056	2.4
85.02934	4.8
87.04507	4.7
88.02249	3.2
91.05470	5.9
91.26174	3.0
93.07073	5.3
95.04987	6.5
95.08641	2.7
98.68678	3.1
103.05510	3.5
105.07053	5.4
105.62747	2.5
107.04961	31.8
107.08654	3.1
109.02876	2.8
115.05460	3.0
117.06980	3.2
119.01650	25.6
119.08608	3.2
120.08083	2.7
122.02708	14.7
131.08580	3.2
135.08107	9.9
137.05968	3.6
149.05969	7.7
149.09689	5.4
151.03925	11.5
151.07520	3.1
154.06395	3.0
163.07521	14.6
167.07048	22.8
177.05504	10.3
181.06538	3.4
191.03668	5.6
195.10190	100.0
208.06413	17.6
213.11302	4.4
230.09195	3.8
316.48010	2.6
338.17706	5.5
374.20227	6.6
391.31857	2.7
392.21014	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65378	2.8
69.03407	3.1
70.06590	3.0
71.39090	4.1
75.99776	3.1
87.04485	5.8
93.07082	3.7
93.49442	2.7
95.05016	6.2
105.07051	6.7
107.04920	20.8
111.08085	3.5
119.01654	17.1
121.06543	3.1
122.02723	4.3
137.05949	5.5
149.02338	5.2
149.06012	13.7
151.03926	18.9
153.07001	3.2
163.03954	3.7
163.07487	7.1
167.07103	9.6
177.05455	15.8
181.06541	4.9
188.07094	3.4
195.10165	51.7
208.06430	9.2
213.11429	3.4
216.08865	6.3
264.38596	3.7
273.11218	5.1
300.10672	3.9
374.19904	4.1
393.20911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71844	3.0
64.33774	4.0
69.07061	6.4
70.06599	68.6
72.08154	3.7
79.05483	4.7
79.21062	2.7
81.03361	3.8
84.04525	5.3
85.02900	6.5
86.09710	90.7
86.30209	2.6
87.05589	3.7
88.04007	3.3
88.26167	3.0
91.05502	3.4
93.95537	2.9
101.26762	2.8
103.05463	7.2
104.05270	3.9
105.07039	4.8
107.04958	28.3
110.06081	4.0
114.15454	3.4
116.07102	3.7
119.04907	3.4
120.08112	100.0
121.02893	3.5
123.04462	4.8
125.03401	3.4
130.04967	3.0
133.06140	17.3
135.04483	4.3
135.08055	6.2
136.07545	5.3
163.07530	24.5
163.97087	3.2
167.07043	67.2
167.08366	5.1
180.06860	4.1
183.14943	18.2
195.10173	24.6
211.14430	9.5
213.11221	61.9
230.02171	8.8
233.16492	40.5
233.50520	3.1
236.25082	3.4
245.11188	4.7
261.15909	13.5
280.12939	12.2
281.35092	3.5
315.01328	4.7
339.06726	3.6
365.53210	3.6
392.07523	7.2
392.15765	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32907	0.4
58.68701	0.4
67.78535	0.4
70.06595	98.6
71.06929	1.9
71.08257	0.7
83.06099	2.4
83.07620	0.4
93.04535	1.7
95.06094	1.1
97.02892	0.4
110.07171	74.4
111.05563	0.4
111.07507	1.4
116.07101	24.8
121.06505	0.9
134.07126	1.7
149.06032	0.7
151.07541	0.5
152.08199	28.5
153.08548	1.0
179.22923	0.4
180.07690	18.3
181.08043	1.1
195.06657	0.6
213.12346	100.0
214.12712	4.5
277.13013	3.2
321.98093	0.4
392.19324	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	392.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05508	11.1
56.96569	11.4
67.05493	4.8
69.07050	6.7
72.08158	63.5
79.05495	10.8
81.07051	15.7
83.05020	5.8
85.02916	6.2
85.47765	4.8
86.09705	100.0
89.65789	3.9
91.05482	22.3
93.07047	76.4
95.08620	5.6
105.07032	8.5
107.08594	62.6
109.02834	5.3
109.06544	4.8
109.10184	5.5
114.84919	4.0
119.04952	9.9
119.08636	4.9
120.05303	6.5
120.08107	64.1
131.21399	3.7
132.07439	4.0
135.11694	82.4
136.12093	8.3
147.04449	15.4
148.04745	15.2
149.02376	6.3
158.51779	4.1
179.24695	3.9
180.10179	48.3
180.11438	4.2
185.16521	50.7
195.13853	21.2
213.15996	17.5
226.50061	4.4
239.02292	8.8
240.02600	9.6
254.51225	4.8
257.03311	7.2
258.03552	6.2
263.57382	3.9
293.00684	5.0
392.25443	6.3
393.22675	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	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
54.71295	2.7
57.07067	8.0
61.02924	3.2
64.14680	3.0
67.05486	3.1
69.03418	4.3
69.07076	4.6
70.57462	3.1
70.57788	4.1
74.18431	2.8
79.05502	34.7
81.03448	2.7
81.07055	5.0
83.04984	12.3
85.02920	28.9
91.03977	3.1
91.05490	4.6
93.07050	31.8
95.08605	5.2
97.02887	8.8
97.06543	5.4
105.92358	2.5
107.04963	6.4
107.08615	14.7
121.06517	3.4
121.10197	3.8
125.05992	16.6
127.03919	4.6
133.10135	12.4
135.11697	100.0
135.55406	3.0
136.12009	4.9
139.07539	11.5
145.04909	4.4
149.13289	7.8
153.12752	4.4
154.56694	3.1
159.11717	3.7
177.12761	17.2
181.72697	2.8
195.13809	85.2
360.58438	3.0
393.18799	16.4
397.08582	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	392.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	100.0
58.07402	0.9
70.06622	1.1
80.78626	0.8
99.75450	0.9
102.09201	4.2
102.80720	0.8
110.84811	0.8
122.67635	0.9
123.05577	3.9
149.02364	1.1
207.11284	14.5
224.13969	13.2
234.12483	1.1
290.18655	4.1
299.86655	0.9
308.19684	65.2
309.19864	4.6
374.24402	43.8
375.24728	4.1
392.25491	21.7
392.36136	1.1
393.26004	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	393.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49160	0.6
52.73697	0.5
56.96541	1.6
57.07080	0.6
58.56343	0.5
60.23806	0.5
65.03886	0.8
72.08129	0.6
81.03365	0.6
85.02861	0.6
86.09688	0.8
91.05482	6.1
105.07072	0.6
107.78185	0.6
109.44853	0.6
117.47890	0.6
119.04100	0.8
119.04942	11.5
120.08100	1.0
123.04395	0.9
147.04410	34.0
148.04655	0.9
161.01202	0.9
169.02618	6.7
173.01811	2.1
183.02696	0.6
193.01704	0.6
201.03593	1.5
229.03178	7.6
231.06587	1.2
237.00609	1.4
246.10100	0.7
247.04254	100.0
248.04694	3.4
255.01802	2.1
266.97003	0.5
273.02856	2.0
309.18222	0.6
375.06842	1.5
393.07925	29.3
393.12122	1.4
394.08325	2.1
394.14728	2.9
400.33655	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	393.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98129	0.4
69.03423	0.6
69.15871	1.5
69.16296	1.5
79.78763	0.4
98.22542	0.7
227.05331	0.7
231.49890	0.4
264.85300	0.4
271.04300	1.4
289.10583	0.6
307.11508	5.0
331.11584	1.0
349.12573	36.3
350.13025	2.9
393.11551	100.0
394.11890	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	393.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
53.94976	0.6
54.29563	0.6
55.01873	0.8
57.03439	9.2
59.05005	0.8
61.02937	3.2
67.05478	0.6
69.03436	16.0
70.06586	1.2
71.01354	1.9
71.04997	4.9
71.27976	0.7
73.02926	3.2
75.04482	2.8
81.03423	5.7
86.09712	1.4
87.85640	0.8
91.05505	1.1
99.04462	7.4
105.63400	0.7
117.05502	1.8
125.12251	0.6
131.31218	0.6
133.07634	1.3
146.05923	0.8
158.07204	0.7
160.08737	1.7
161.07103	4.4
173.05916	1.0
183.08116	0.7
186.06641	2.2
188.08199	25.9
189.08545	1.4
190.09796	1.1
191.08267	0.7
214.06163	6.0
214.09573	0.6
216.07571	4.0
232.07195	12.3
233.07608	0.7
234.08693	3.5
242.05927	0.7
259.08276	71.5
260.08820	3.4
273.06088	0.6
375.13223	4.8
393.14056	100.0
394.14355	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	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18815	0.4
52.51143	0.4
56.90273	0.5
56.96567	0.6
68.05049	1.9
70.06602	3.5
70.59798	0.6
70.60119	0.5
71.06914	0.8
73.02906	0.4
79.05476	0.6
86.09700	0.6
91.05482	0.7
98.97580	0.8
116.98613	0.4
120.08102	0.6
121.06627	0.4
123.04390	0.5
124.05026	0.6
125.06000	0.8
130.04980	0.9
136.07553	0.6
137.07835	0.5
140.03481	0.9
149.04587	0.7
151.03894	1.5
161.01376	0.4
166.07248	0.5
172.06058	0.7
175.06177	0.4
189.06487	0.8
197.08191	0.8
201.06493	1.7
202.07220	1.8
203.07964	1.8
204.08861	6.9
215.08046	1.7
216.08820	100.0
217.09349	5.9
218.10387	5.9
225.06459	10.9
226.07201	3.8
227.08076	0.9
228.08777	0.7
229.09612	1.4
229.15639	0.6
230.10373	9.6
230.15770	0.6
240.08818	54.0
241.09341	3.4
242.06685	0.5
246.09897	7.1
247.04109	0.8
255.10062	0.7
258.09808	2.6
268.08240	4.2
272.11502	2.9
283.09460	1.0
286.09369	0.5
300.10922	52.3
301.11224	3.1
311.08948	0.6
315.11926	1.1
333.13229	3.5
343.11584	2.2
352.07123	0.9
361.02307	0.6
361.12506	4.4
362.01199	0.5
375.14096	4.8
393.15167	25.9
394.15466	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	393.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20539	0.3
56.90275	0.3
59.74813	0.3
63.23549	0.3
65.18719	0.3
68.05041	1.7
68.99776	0.3
69.24407	0.8
69.24825	1.6
70.06565	0.5
71.04983	0.3
71.26995	0.3
73.02917	1.5
91.05461	0.5
91.21727	0.3
93.06995	0.4
94.04108	0.3
95.02471	0.5
96.06812	0.3
98.97589	0.3
113.03513	1.7
121.06493	0.7
123.07952	0.3
124.05092	0.7
125.05988	2.8
130.05020	1.0
133.03943	0.4
137.05969	1.3
140.03406	1.1
149.04541	0.9
149.05959	0.9
151.03905	7.7
151.05003	0.5
165.39970	0.3
166.07257	0.9
166.20674	0.3
167.05798	0.4
171.06598	0.4
172.06010	0.9
177.05460	0.5
179.07036	1.7
188.05623	0.4
189.06572	0.7
197.08067	3.6
201.06415	2.0
202.07243	2.4
203.08080	1.6
204.08826	6.5
213.06590	3.1
213.39848	0.3
214.07286	0.4
215.04514	0.4
215.07928	2.1
216.08809	100.0
217.09369	4.6
218.10361	5.1
225.06441	11.3
226.07217	4.1
227.08025	1.2
228.08780	1.3
229.06155	0.4
229.09572	1.1
230.10382	9.5
231.07594	0.5
231.10706	0.5
240.08801	52.5
241.09280	3.8
242.10214	0.6
246.09851	5.9
255.09789	0.4
256.08441	0.5
258.09860	1.9
268.08258	4.5
269.08380	0.3
272.11444	3.9
273.11401	0.6
283.09412	1.2
300.10910	49.7
301.11221	2.9
311.08859	0.9
315.11981	1.2
333.13165	2.7
343.11475	2.3
361.12518	4.8
375.14069	3.7
393.15140	20.4
394.13959	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	393.1882
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
61.05095	0.3
67.40730	0.3
71.29205	0.4
78.14082	0.3
78.98277	0.3
94.56435	0.3
120.08135	0.6
143.70929	0.3
148.46722	0.3
153.00279	0.3
393.18826	100.0
394.19183	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	393.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14304	0.4
65.03939	0.7
71.30917	0.9
78.03484	0.6
79.05484	0.8
89.06048	0.9
91.05478	0.7
93.07014	0.6
95.04942	0.5
105.07056	0.6
106.02914	2.2
107.08611	1.0
111.06471	0.5
119.08602	0.6
122.37906	0.5
133.08603	0.6
137.06009	0.5
147.04410	0.8
151.03935	3.0
163.03798	0.5
164.43573	0.5
181.04968	0.5
231.13765	1.4
283.06158	0.5
309.07736	0.9
323.91565	0.5
325.37051	0.5
393.18835	100.0
394.19165	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	393.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01890	0.3
55.05529	0.2
57.03417	0.3
57.07068	0.8
57.33259	0.2
57.85212	0.2
61.02915	0.6
62.40894	0.2
67.05505	0.5
67.65594	0.3
69.03422	0.6
69.07063	0.4
70.06590	0.4
70.50118	0.6
71.04991	0.3
79.05499	2.8
80.05831	0.9
81.03391	0.2
81.07054	0.5
82.07390	0.4
83.04976	0.9
84.05289	0.3
85.02924	2.2
86.03261	0.5
86.09676	0.2
91.05460	0.5
93.07068	2.7
94.07403	1.4
95.04949	0.2
95.08620	0.6
97.02890	0.7
97.06539	0.4
105.06993	0.3
107.04969	0.4
107.08614	1.1
108.08935	0.5
108.96168	0.2
109.06525	0.3
111.08079	0.4
119.56477	0.3
120.08096	0.3
121.06524	0.4
123.08078	0.6
125.06007	1.2
126.06347	0.6
127.03940	0.4
127.53565	0.2
131.08551	0.4
133.10115	0.9
134.10483	0.4
135.08073	0.3
135.11687	4.3
136.12039	5.0
139.07536	0.5
145.05066	0.3
149.13240	0.3
150.13574	0.6
178.13101	1.0
195.13797	2.3
196.14180	4.2
203.05261	3.2
213.12642	0.4
231.13725	0.3
239.09143	0.3
375.21927	0.3
382.70703	0.2
393.18805	100.0
394.19199	9.0
394.23087	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	393.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13423	0.5
55.05515	4.9
57.03439	5.2
57.07079	36.1
58.07423	0.6
67.05508	13.2
69.07069	6.6
69.51498	2.7
70.04472	0.5
71.08636	28.5
79.05511	0.6
79.59871	0.4
81.07059	16.4
83.08622	10.1
85.06529	0.7
85.10186	13.8
86.09703	0.6
93.07069	1.1
95.08613	23.4
97.10172	5.6
98.98471	73.1
99.11735	1.2
109.10162	11.3
111.11727	1.6
112.12125	0.5
116.99527	1.4
123.11713	5.0
125.13291	1.2
137.13197	2.3
151.14781	1.0
155.01044	100.0
156.01384	1.6
162.76436	0.5
165.16402	0.6
183.40425	0.6
229.67215	0.5
239.23703	6.0
240.24094	0.6
318.85184	0.5
326.05725	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	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78559	0.3
55.05508	0.3
57.07082	6.0
58.07406	1.4
67.05502	0.4
69.77609	1.2
81.07091	0.5
82.67706	0.3
91.05512	0.4
98.23293	0.4
98.98469	0.4
105.07048	0.4
114.96715	0.3
119.08595	0.4
120.86700	0.3
149.06018	1.0
159.11754	0.3
166.84360	0.4
195.55020	0.3
207.11241	0.5
208.11618	0.8
225.14249	0.4
227.22260	0.4
292.19656	0.4
308.19861	0.7
309.20013	3.3
375.24847	3.7
393.26096	100.0
394.26471	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	0.6
57.51395	0.3
59.79856	0.3
70.06579	0.3
79.05499	0.3
81.07097	0.5
82.75986	0.3
82.99606	0.4
84.95820	0.3
87.79133	0.4
90.19729	0.3
92.18449	0.3
95.94082	0.3
98.98515	0.4
107.73705	0.3
155.01056	0.4
196.66129	0.4
282.49463	0.3
393.26105	100.0
394.26456	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.5
55.05508	18.6
57.07068	15.0
67.05509	38.2
69.02572	24.2
69.02998	15.0
69.07079	21.5
71.04990	4.9
73.06152	4.6
79.05489	40.6
81.03420	4.9
81.07059	70.1
83.05029	5.9
83.08640	9.1
90.66037	3.8
91.05486	60.4
93.07047	89.4
94.87074	4.1
95.04975	65.9
95.08613	56.5
97.06556	10.8
98.22615	6.1
103.05490	6.2
105.07033	100.0
105.07681	8.3
107.08601	54.7
107.27431	4.1
109.06536	10.8
109.10152	28.9
115.05485	6.5
117.07042	18.6
119.04977	5.2
119.08583	96.4
121.06507	25.7
121.10145	41.4
123.11705	10.1
128.06256	12.3
129.07036	17.4
130.07840	7.5
131.08569	48.1
133.10150	55.8
135.08072	7.7
135.11716	25.7
141.07011	7.0
142.07791	28.3
143.08566	38.0
144.09348	14.6
145.10127	71.7
147.08098	6.0
147.11652	27.9
149.13333	5.0
155.08531	10.4
156.09355	14.3
157.10126	57.6
158.10843	6.7
159.08086	6.1
159.11684	47.9
161.09618	18.0
161.13217	9.2
163.11235	6.0
166.67369	5.3
167.08524	10.9
168.09370	9.1
169.10117	27.2
170.10918	11.0
171.11707	27.3
173.09663	7.9
173.13286	25.0
175.11188	7.5
175.14804	12.8
179.08513	7.9
181.10121	12.5
182.11002	8.6
183.11725	23.6
185.13249	13.9
187.11195	8.6
187.14847	12.8
193.10110	7.2
195.11781	15.2
197.13257	18.1
199.14891	7.9
201.12894	4.5
201.16429	9.2
207.67505	4.4
208.12592	5.7
209.13245	18.1
211.14841	12.6
212.53252	4.1
213.16356	7.8
221.13295	7.4
223.14777	6.1
225.16489	7.3
227.14436	5.4
235.14909	8.8
239.14487	5.8
375.26907	5.8
393.28030	25.4
407.15186	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.5
55.01861	2.8
55.05509	19.6
57.07080	10.2
67.05184	3.6
67.05518	40.1
69.03442	2.9
69.07064	23.6
71.05002	2.8
71.08639	4.8
79.05503	35.8
81.07066	62.6
83.04984	4.9
83.08623	10.0
85.06537	7.0
89.06036	2.6
91.05486	59.9
93.07046	81.6
95.04980	62.7
95.08611	53.4
97.06521	11.3
97.25709	2.5
98.98448	3.9
103.05489	7.1
105.04551	3.2
105.07034	100.0
107.08600	54.2
107.09291	3.8
108.08930	3.1
109.06528	17.2
109.10167	24.8
111.08077	4.1
115.05459	6.3
117.07026	24.9
119.06059	3.3
119.08585	89.1
120.08893	3.6
121.06527	19.7
121.10142	36.4
123.08083	7.5
123.11716	10.7
128.06218	11.9
129.07005	18.5
130.07793	9.2
131.08583	44.0
133.10143	48.8
134.10460	3.6
135.08061	10.2
135.11702	19.5
137.09602	3.1
141.07027	6.9
142.07813	27.5
143.08565	35.6
144.09319	10.8
145.06500	2.6
145.10132	65.5
145.11278	4.0
146.07288	2.9
147.08080	2.9
147.11691	20.7
149.09657	3.4
154.07738	3.0
155.01021	3.7
155.08542	15.6
156.09361	11.8
157.10135	53.2
158.10880	7.5
159.08072	3.7
159.11690	47.4
160.12138	2.8
161.09615	16.9
161.13295	9.8
163.11182	6.2
165.01430	2.4
167.08542	5.7
168.09338	5.4
169.10146	22.4
170.10936	5.6
171.11661	23.8
172.12447	2.6
173.09663	3.8
173.13229	19.5
175.11250	8.9
175.14844	18.1
177.12729	2.5
179.08592	10.0
180.09288	3.1
181.10144	10.8
182.10899	5.3
183.11707	18.3
184.12462	5.9
185.13223	14.5
186.14012	3.2
187.11267	6.1
187.14828	8.9
193.10143	9.9
194.10878	6.0
195.11723	13.7
196.12381	3.2
197.13271	15.4
199.14868	7.1
201.12802	2.8
201.16391	8.3
206.10828	3.3
207.11670	5.9
208.12346	2.7
209.13274	11.5
210.13983	2.9
211.14806	6.9
213.16353	5.2
219.11674	2.5
219.17493	2.5
220.12352	2.8
221.13293	7.2
223.14838	9.6
225.16530	4.2
227.14296	3.1
231.11824	4.0
235.14902	5.4
237.16437	3.7
239.17908	3.3
241.19537	2.3
253.15898	4.7
253.19530	3.4
265.19659	4.5
361.27420	5.1
375.26782	4.2
393.28094	15.8
394.28049	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	393.315
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
55.05513	5.9
57.07078	8.7
66.59790	0.7
67.05502	4.6
69.07071	50.4
70.07372	1.2
70.52762	0.8
70.96031	1.4
79.05494	2.6
81.07054	8.2
81.74417	0.7
83.04982	1.1
83.08621	11.5
91.05495	0.8
93.07061	1.7
95.08612	4.9
97.06535	5.5
107.08600	2.7
109.10150	6.9
119.08598	1.3
121.06441	0.9
121.10142	2.6
123.11707	2.3
125.13194	1.0
129.07039	1.2
131.08554	1.6
132.09305	1.0
141.07005	0.8
143.08572	2.5
145.10132	2.4
148.65642	0.9
155.08553	2.8
157.06526	0.9
157.10202	4.0
159.08003	1.7
161.13307	0.8
167.08574	1.2
169.10124	3.2
170.10970	2.1
171.08138	0.9
171.11702	2.7
172.08821	1.1
173.09622	2.3
179.08505	0.7
181.10153	2.2
183.11671	5.2
185.09506	1.0
185.13260	1.2
186.12253	1.0
191.17775	0.9
193.10158	1.4
195.11841	3.0
195.77859	0.7
197.09575	0.9
197.13281	4.8
199.11174	4.1
199.14906	1.2
209.13220	7.4
210.13582	0.9
211.14815	3.0
213.12712	2.5
214.13576	2.4
215.14346	2.9
223.14728	1.7
224.15562	5.0
225.16289	1.3
226.17163	1.7
227.14197	1.8
235.14879	1.8
239.14246	1.2
241.15921	3.4
249.16194	1.3
251.17793	0.9
253.15875	19.3
254.16440	1.1
267.17542	5.1
268.18216	59.2
269.18793	8.5
335.27405	1.1
353.26282	0.7
375.30023	1.0
376.25867	1.4
393.31509	100.0
394.31802	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.7
55.02993	1.6
60.05651	13.7
68.05032	1.7
69.13824	4.8
69.14229	2.3
70.06596	93.0
71.04994	7.4
71.06930	2.0
72.08160	10.4
72.99409	0.9
78.03456	1.0
78.66708	1.0
83.81373	1.0
85.07668	1.6
86.09721	0.9
95.06097	28.2
96.04462	1.6
97.07662	8.6
98.06040	1.6
100.03980	15.4
101.02377	3.3
106.02937	1.0
112.08732	26.3
112.09473	1.6
113.07133	3.6
114.10300	5.5
115.08701	11.2
116.07122	9.6
118.05040	5.6
120.04451	3.9
124.03962	7.8
127.03947	4.2
130.09793	7.7
132.04465	3.4
138.26077	1.1
140.08191	11.5
146.05977	2.3
152.07079	4.7
153.01714	1.0
154.08577	1.2
157.10866	1.6
158.09239	6.9
162.30621	1.0
169.09769	2.7
170.08110	1.6
174.05511	26.8
175.11914	38.5
176.08267	0.9
180.06500	1.0
194.09279	4.9
197.09222	11.9
198.07668	7.3
202.05002	48.3
203.05351	2.4
212.10309	7.1
215.10280	2.2
220.06027	5.5
222.06874	1.1
222.08766	6.2
229.12982	1.6
229.45769	0.9
240.09792	11.8
256.06137	1.0
257.12457	15.0
268.08176	4.9
275.13470	7.0
342.10782	1.0
376.16168	2.9
394.17224	100.0
395.09390	6.0
395.17474	9.8
395.99902	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	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.02093	1.1
59.27024	1.1
61.22268	1.3
67.05506	1.3
69.07091	1.6
70.06583	2.1
71.18304	2.0
72.08163	9.3
79.05486	1.6
81.07047	8.1
83.04992	1.6
84.04498	3.2
85.02898	2.3
86.09711	5.2
91.05464	3.4
93.07041	2.7
95.04961	3.0
95.08605	3.9
102.05579	1.7
105.07040	4.3
107.08585	14.0
109.06499	1.3
109.10165	3.8
116.96790	1.2
120.08112	10.1
123.08088	5.6
123.11713	2.2
133.10139	7.6
135.08087	1.4
136.07559	3.1
151.11183	16.4
161.09596	2.0
166.08664	2.3
179.10713	8.3
180.52077	1.2
197.11761	4.5
201.12292	2.7
219.06348	11.8
229.11697	1.5
249.16086	1.5
261.07376	2.1
361.27295	1.3
394.23080	1.9
395.09473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.02093	1.1
59.27024	1.1
61.22268	1.3
67.05506	1.3
69.07091	1.6
70.06583	2.1
71.18304	2.0
72.08163	9.3
79.05486	1.6
81.07047	8.1
83.04992	1.6
84.04498	3.2
85.02898	2.3
86.09711	5.2
91.05464	3.4
93.07041	2.7
95.04961	3.0
95.08605	3.9
102.05579	1.7
105.07040	4.3
107.08585	14.0
109.06499	1.3
109.10165	3.8
116.96790	1.2
120.08112	10.1
123.08088	5.6
123.11713	2.2
133.10139	7.6
135.08087	1.4
136.07559	3.1
151.11183	16.4
161.09596	2.0
166.08664	2.3
179.10713	8.3
180.52077	1.2
197.11761	4.5
201.12292	2.7
219.06348	11.8
229.11697	1.5
249.16086	1.5
261.07376	2.1
361.27295	1.3
394.23080	1.9
395.09473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27116	1.6
51.36983	1.6
52.16782	1.5
53.03944	5.9
53.14915	1.5
53.89040	1.5
55.01868	5.0
55.05509	8.3
57.03428	5.4
61.02925	6.0
67.05504	3.2
68.99767	2.4
69.03433	36.8
69.06761	10.8
69.07069	42.6
71.05003	3.7
73.02915	6.3
79.05444	1.9
81.03426	22.6
81.07055	2.2
84.33540	1.4
85.02908	100.0
87.00833	47.4
91.03952	2.4
93.07047	1.8
97.02894	33.0
98.23383	3.5
99.04465	14.7
99.21218	1.4
105.01866	77.5
105.07038	2.3
107.08607	2.0
108.04487	2.9
109.02882	23.1
111.11719	3.7
115.03930	1.8
126.05511	2.4
127.03922	72.6
129.01848	3.8
135.08061	4.2
145.04961	40.7
147.02879	2.7
147.29866	1.6
159.02902	10.6
164.82568	1.7
189.04005	4.5
196.21396	1.5
213.03993	2.5
220.29680	1.9
231.04991	17.7
249.06053	7.7
305.19708	2.0
312.18570	1.8
394.19128	6.4
395.19861	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	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94361	2.4
53.03942	7.9
55.01867	8.2
55.05507	8.3
57.03433	7.1
57.07069	3.1
57.14978	1.8
58.69629	1.6
61.02938	5.3
63.06360	2.7
67.05502	7.8
68.99788	4.3
69.03432	43.4
69.07072	74.3
71.04992	8.5
73.02919	7.0
79.05482	5.8
81.03418	30.0
81.07047	12.9
83.04977	3.2
83.08620	4.7
85.02907	100.0
85.06555	7.0
87.00834	39.1
91.03963	2.8
91.05480	5.2
93.07043	11.1
95.08608	11.6
97.02891	37.8
97.06535	3.8
97.10136	2.4
99.04459	11.8
99.08112	3.9
105.01874	31.5
105.07079	10.2
107.04894	2.1
107.08595	8.2
108.04475	3.2
109.02878	28.7
109.06551	2.6
109.10174	6.9
111.04426	3.2
111.08080	22.2
111.11727	20.0
115.03949	6.5
117.06979	3.2
119.08567	10.9
121.06498	4.7
121.10148	4.0
123.08036	5.2
123.11724	4.3
127.03921	56.6
127.11230	5.8
129.01828	3.2
129.12775	10.5
131.08513	4.0
133.10138	9.6
135.08060	2.2
135.11673	6.8
137.05994	2.8
137.09604	2.7
137.13223	3.9
139.07532	9.1
139.11211	3.6
141.07050	1.9
141.12749	10.3
143.08624	3.5
145.04961	21.9
145.06514	4.5
147.02921	3.3
147.11700	2.6
151.03871	4.4
151.11232	2.6
159.02872	12.3
159.08102	4.4
159.11655	2.8
161.09641	3.0
161.13280	14.7
162.25307	2.1
163.11189	3.2
169.12282	3.1
173.13249	2.7
174.06799	2.5
175.07562	3.8
177.05525	2.1
177.09166	8.0
179.10689	4.6
179.14317	17.4
189.03932	2.8
189.09123	6.1
191.14267	2.3
195.13718	2.5
197.15404	6.5
201.09203	2.9
201.12758	4.1
213.09094	3.0
217.08678	4.0
219.10287	2.4
219.13818	8.8
231.04993	5.9
231.10106	3.0
237.14832	9.4
244.22740	2.5
248.07594	3.4
255.10280	2.7
255.15898	2.3
273.11166	5.4
291.12244	5.5
297.17023	2.2
323.14899	14.5
341.16092	2.8
376.21783	5.6
394.15585	2.8
394.22717	5.5
394.27484	12.0
394.31540	5.1
395.16220	2.6
395.20343	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	395.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16310	25.2
58.20654	24.8
69.38873	100.0
69.39293	37.6
71.65787	26.0
74.20107	33.1
78.18320	24.4
84.54239	25.2
98.22677	36.6
105.61950	25.0
115.22388	27.5
127.66731	26.6
167.03720	25.1
169.32500	24.8
185.02107	28.8
217.73949	23.2
233.02675	85.4
285.47830	28.9
303.93936	23.5
331.45215	29.0
348.46500	26.2
395.05594	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29090	0.5
60.05645	0.8
60.77182	0.5
65.75426	0.6
66.01175	0.5
66.84592	0.5
69.11400	4.6
70.06594	9.2
71.04977	1.0
71.06934	2.9
72.08177	1.1
79.05486	0.9
84.08129	0.6
93.07026	0.9
95.06087	1.6
96.06413	1.1
97.07676	1.1
100.03988	1.3
105.03400	2.7
107.04910	0.9
111.71197	0.6
112.08709	2.3
113.07152	0.5
116.07104	0.7
120.08108	1.2
121.06522	1.0
123.04491	0.9
124.03977	0.8
130.09769	0.8
131.47226	0.7
140.08179	1.2
141.08556	0.7
146.06071	0.8
153.01816	1.8
155.86552	0.6
160.14459	0.6
163.00069	1.2
174.05511	1.7
175.05890	2.3
175.11942	4.4
176.12216	1.2
177.83719	0.7
179.07076	1.8
198.09505	1.0
199.02191	2.5
202.04997	2.3
203.05400	3.2
206.08070	0.8
219.06299	23.0
220.06563	0.9
240.09857	0.9
257.12589	0.8
258.12836	1.1
261.07394	1.7
275.13531	0.7
276.14041	0.7
349.08316	1.4
377.07883	1.1
381.74411	0.7
394.24759	0.7
395.09439	100.0
395.17169	11.9
396.09756	8.9
396.17856	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	395.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03937	0.4
55.01868	0.3
68.99791	9.3
69.00175	0.4
69.03422	0.5
71.01345	0.8
71.30737	0.3
81.03424	0.6
91.05486	3.8
93.07024	0.4
95.01322	1.6
95.04973	8.7
96.05302	0.4
103.05456	0.7
105.04485	0.3
105.07039	0.5
107.04952	1.6
109.02875	0.8
110.03679	0.7
111.00812	1.6
113.02376	1.4
113.56451	0.2
115.05447	1.2
117.07001	0.7
118.69740	0.3
119.04945	12.4
119.08604	0.3
120.05245	0.5
121.02863	2.3
121.06508	4.5
123.04429	39.5
124.04751	1.1
128.06253	1.3
129.07019	1.7
131.04913	1.1
133.06483	0.7
135.08058	0.8
137.02339	1.1
139.00269	4.6
139.05446	0.8
141.07018	0.4
145.06493	2.3
147.04408	77.0
148.04720	2.9
153.06926	0.4
155.06038	0.7
157.06500	9.2
158.06812	0.4
160.05161	0.3
161.05980	1.3
163.00252	0.6
165.05478	10.1
166.05847	0.5
167.04866	0.9
167.54604	0.2
171.04390	6.3
171.05618	0.7
171.81569	0.3
175.07556	1.2
181.01297	0.4
181.06502	1.6
182.46193	0.3
185.05986	5.5
189.05463	4.0
195.04414	0.9
199.07640	0.3
203.07010	8.0
204.07440	0.5
209.05888	0.3
211.07658	0.4
213.05470	4.3
214.05864	0.5
215.03407	1.1
225.09088	1.2
231.06523	100.0
232.06873	5.5
237.05476	0.8
241.04915	0.4
255.06387	0.4
257.04483	3.3
257.08115	2.9
258.08447	0.4
265.04916	0.7
275.05496	0.7
283.06012	19.1
284.06381	1.3
301.07089	0.4
335.09125	5.2
336.09299	0.3
377.10156	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	395.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.4
59.98963	0.4
68.99793	8.2
69.03415	0.4
69.33807	2.6
81.03400	0.6
91.05486	2.0
93.07038	0.7
95.01347	1.0
95.04974	6.9
103.05473	0.4
104.03154	0.4
107.04971	1.4
109.02874	0.5
111.00837	0.8
113.02377	0.7
113.90363	0.4
115.05431	0.5
117.06969	0.5
119.04945	7.2
121.02904	1.9
121.03668	0.3
121.06512	2.7
123.04436	36.2
124.04762	0.9
128.06172	0.5
129.07018	1.1
131.04903	0.7
133.06479	0.9
137.02335	0.6
139.00269	2.6
139.05443	0.6
145.06526	2.5
147.04417	59.3
147.85872	0.4
148.03769	0.4
148.04749	2.0
157.06505	7.7
161.05981	1.3
165.05490	9.1
167.05013	0.7
171.04391	5.4
171.05626	0.6
175.07573	1.1
177.66003	0.4
181.06642	0.5
185.05957	5.2
189.05489	2.4
203.07024	8.6
204.07349	0.5
209.05940	0.5
213.05479	3.8
215.03416	1.3
225.09055	0.7
231.06537	100.0
232.06853	6.0
237.05537	0.8
241.04901	0.5
255.06647	0.5
257.04568	2.3
257.08047	3.1
275.05435	0.8
283.06024	14.1
284.06415	0.9
335.09116	6.4
336.09439	0.6
377.10403	1.0
395.24319	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	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	2.9
71.06911	0.7
71.16519	1.0
72.08146	0.7
72.74582	0.7
76.54194	0.8
88.41501	0.6
112.08743	1.3
120.08115	2.4
151.32755	0.8
153.01852	1.0
175.11961	1.5
185.04237	4.2
197.32620	0.7
206.08047	0.7
217.04730	1.5
232.07095	7.0
233.07860	12.7
258.12814	0.7
289.11774	0.7
364.11325	1.1
395.13171	100.0
396.13467	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	395.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04256	0.6
52.92483	0.5
70.32587	1.8
172.45609	0.6
185.04216	5.1
192.09473	0.7
217.04774	1.6
232.07059	13.4
233.07837	12.1
309.25522	0.6
364.11353	2.3
372.35300	0.6
395.13129	100.0
396.13367	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	395.2045
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
56.74790	0.3
67.05527	0.4
69.03419	0.4
71.10044	0.3
75.87526	0.3
81.03425	0.5
81.07066	0.4
85.82665	0.4
87.43400	0.3
93.07051	0.8
95.08597	0.6
105.07043	0.6
106.39481	0.4
107.08569	0.7
119.08584	0.5
121.06509	1.2
121.10146	0.4
131.08623	0.4
201.03702	0.9
203.05351	2.4
215.14439	0.4
233.15057	0.6
298.21667	0.5
395.20364	100.0
396.20749	7.7
396.25198	0.6
396.28784	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	395.2044
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
53.16519	0.3
56.96556	0.3
68.68353	0.3
68.80648	0.3
69.19264	0.5
69.19662	1.8
79.05537	0.4
91.05479	0.4
93.61878	0.3
95.08624	0.3
105.03394	0.7
105.07026	0.4
107.08595	0.3
107.16995	0.3
119.08588	0.4
120.08099	0.3
121.10191	0.4
123.08257	0.3
143.67448	0.3
171.02980	0.3
175.44983	0.3
203.05276	0.9
215.14276	0.4
233.15193	0.7
308.80133	0.3
325.16144	0.4
390.52026	0.3
395.20364	100.0
396.20706	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	395.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05504	1.7
57.03430	1.2
57.07062	1.1
61.02912	1.4
67.05504	3.5
68.99755	0.6
69.03436	6.5
69.63921	1.7
69.64333	1.6
70.06573	1.1
70.78659	0.7
71.04977	1.0
72.48592	0.6
73.02901	2.0
79.05470	2.2
81.03394	2.9
81.07014	2.5
84.08114	0.7
85.02914	10.9
86.09679	1.0
86.36363	0.6
87.04469	1.2
91.05482	3.6
93.07017	2.6
95.04964	5.2
95.08587	2.3
97.02894	4.3
105.07024	4.5
107.04955	4.8
107.08584	2.5
109.02864	1.7
109.06479	2.5
110.71575	0.7
117.06998	2.2
118.25710	0.7
119.04923	0.7
119.08574	5.6
120.08131	3.1
121.06477	2.6
121.10132	2.0
123.04414	1.2
127.03931	3.1
129.07001	1.3
130.07735	0.7
131.08577	5.6
133.10101	2.3
135.08046	1.3
143.08560	2.3
145.04929	0.8
145.10133	7.3
147.04391	2.6
147.08058	0.9
149.09650	1.1
155.08519	2.0
156.09320	1.8
157.10123	2.6
158.10872	0.9
159.08047	11.9
159.11717	1.7
167.08572	1.8
169.10146	1.7
170.10783	0.8
171.11673	1.2
172.12503	1.3
173.09625	3.3
173.13203	2.4
177.09081	1.9
182.10938	5.8
186.10460	0.9
187.11215	1.4
187.14780	3.7
189.12804	6.3
190.13173	0.7
197.13275	12.8
199.14891	0.8
200.11905	2.2
204.42241	0.6
215.14320	100.0
216.14693	5.6
217.15894	1.8
231.06581	3.2
233.15358	8.3
235.10834	1.1
247.06131	0.7
283.06036	0.9
283.74112	0.7
307.17511	0.7
318.86383	0.6
359.52023	0.7
377.19693	1.1
395.12009	1.8
395.20694	55.9
396.20969	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	395.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05497	0.6
57.03403	1.9
57.07054	1.2
61.02895	3.0
62.68132	0.8
65.03915	0.9
67.05512	4.4
69.03429	9.6
69.05565	0.7
71.04984	0.7
71.14745	0.8
73.02887	2.6
79.05464	2.5
79.80584	0.7
81.03387	2.5
81.07027	2.8
83.04972	0.7
84.25227	0.7
85.02448	0.7
85.02907	11.8
87.04454	1.5
91.05475	3.7
93.07009	2.0
95.04979	6.2
95.08575	2.4
97.02908	4.3
99.04423	0.8
104.57715	0.5
105.07022	5.4
107.04875	0.8
107.07079	0.7
107.08588	4.0
109.02837	1.9
109.06489	2.7
117.06982	2.0
119.08591	5.7
121.06491	2.4
121.10112	1.7
123.08057	0.9
127.03911	1.9
128.06258	0.9
129.06989	0.8
130.05014	1.4
130.07764	1.2
131.08577	6.0
133.06503	1.3
133.10120	3.3
135.08011	1.6
136.07489	0.8
142.07733	1.2
143.08521	2.4
144.09346	0.8
145.10136	10.7
149.09645	1.4
155.08545	2.0
156.09334	1.5
157.10120	5.6
158.07292	0.7
158.10851	1.1
159.08063	16.7
159.11656	2.0
161.13239	0.8
167.08568	2.9
169.10092	2.9
171.11717	1.1
172.12405	1.3
173.09628	4.6
173.13268	3.8
177.09122	1.9
182.10939	6.2
185.09660	1.2
187.14787	4.1
189.12773	6.9
197.13263	13.9
198.13618	1.1
199.14758	1.8
200.11905	2.7
215.14313	100.0
216.14673	6.9
217.15852	1.3
233.10516	0.8
233.15323	7.0
395.20700	54.8
396.21039	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	395.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46155	0.3
62.95971	0.4
70.85676	0.5
79.05511	0.3
81.07083	0.4
81.37725	0.3
93.07065	0.3
98.22698	0.5
119.73609	0.3
150.55574	0.3
151.13409	0.3
199.13570	0.3
233.15326	0.5
365.23035	1.5
395.24066	100.0
396.24399	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	395.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.7
57.07080	2.7
57.60609	2.5
59.27843	2.1
59.77020	2.6
62.95071	2.8
65.03928	3.5
67.05512	21.4
69.03444	13.0
69.07077	3.4
71.04989	3.1
71.28076	3.2
72.27828	2.9
76.81836	2.2
79.05488	17.9
80.05914	2.2
81.07053	37.5
83.04978	3.9
85.06564	3.0
91.05495	35.9
93.07059	25.8
95.04974	100.0
95.08619	31.4
97.06539	9.8
103.05461	3.7
105.06396	3.0
105.07042	53.0
107.08590	17.4
108.05777	2.6
109.06531	13.8
109.10149	6.8
117.07018	11.0
119.08588	41.8
121.06509	8.1
121.10148	9.4
123.08081	29.6
128.06245	6.7
129.07019	10.9
130.07828	5.5
131.08549	22.6
133.06517	4.9
133.10132	23.1
135.08054	8.7
135.11693	3.1
141.07030	5.1
142.07770	4.9
143.08553	20.7
144.09146	2.9
145.06555	3.5
145.10123	32.6
146.07201	3.8
147.08014	8.4
147.11726	4.5
149.09654	4.8
151.07558	38.8
151.11136	2.4
155.08551	7.3
156.09337	5.0
157.10138	16.7
159.08083	6.7
159.11667	16.3
161.09612	32.0
165.09103	5.7
167.08524	3.3
169.10126	9.8
171.11681	7.0
173.09636	7.9
179.10732	6.6
182.10887	6.0
183.11711	3.7
185.09595	4.3
185.13374	3.1
187.11267	7.7
187.14856	13.0
189.12747	12.8
195.11758	3.3
197.13290	7.8
201.12752	2.7
203.14351	3.3
207.11957	2.4
207.13817	9.2
215.14293	17.4
221.15390	5.7
225.16238	3.5
233.15332	3.0
239.13963	2.8
250.20822	2.9
267.17728	2.7
287.19849	2.6
300.20798	5.0
303.19913	3.0
377.24591	5.2
395.25803	40.9
396.26041	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	396.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86942	0.2
53.03939	0.4
54.01674	0.2
55.01865	0.2
67.05505	0.5
68.99800	0.9
69.03433	0.2
70.60660	0.2
70.60994	0.3
77.03936	0.5
78.03455	1.7
79.04238	0.2
80.05019	3.4
81.07050	0.2
85.02913	0.5
91.05479	0.4
95.04983	0.4
96.04499	2.5
97.02911	0.2
105.03376	0.6
105.07043	0.3
106.02927	3.4
111.00829	1.2
117.03390	0.3
123.04435	40.0
124.03957	100.0
125.03603	0.2
125.04315	2.0
127.03947	0.4
135.04425	2.8
139.03905	5.0
141.43182	0.2
145.06540	0.3
147.04410	4.5
151.03949	1.1
163.03946	1.2
163.07529	1.1
170.03163	0.2
180.36710	0.2
182.05690	0.2
189.05502	1.2
199.07643	0.2
217.15941	0.8
227.06979	0.5
230.08185	0.2
244.81078	0.2
255.06607	0.5
258.07742	0.7
270.07480	0.3
273.07584	9.7
274.07999	0.4
396.10812	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	396.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36307	0.6
53.03958	1.3
54.52088	0.6
57.03436	2.3
59.59389	0.6
62.73424	0.6
69.03433	11.3
70.02959	1.1
70.06589	0.9
71.04992	1.4
71.32653	1.0
72.24479	0.6
77.98505	0.7
81.03432	4.6
85.02905	4.9
87.00843	0.9
91.05489	1.0
93.07035	1.4
97.02919	5.5
99.04468	2.6
103.05466	6.9
109.02885	3.7
118.06545	5.2
120.08113	100.0
121.06515	2.3
121.08464	3.1
121.10214	0.7
127.03922	9.9
128.04967	1.8
131.04956	0.6
145.05040	1.1
146.06017	23.9
146.81366	0.8
147.06389	1.2
164.07124	1.4
166.08665	4.9
188.07062	20.9
189.07443	1.5
189.31590	0.7
192.06543	1.8
206.08133	71.8
207.08495	3.0
216.06660	0.6
234.07632	9.6
234.11343	1.5
252.08714	11.6
253.09071	0.8
278.10257	0.8
332.11325	4.3
350.12347	8.0
351.12531	0.7
378.11676	1.4
396.13339	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	396.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
55.83638	0.6
56.05038	3.2
57.03441	1.7
57.07079	2.1
60.04527	100.0
61.04868	0.9
65.03940	0.7
67.05508	8.3
69.07069	3.9
70.06591	0.8
70.83817	1.2
71.08649	1.2
72.04527	2.1
74.06082	9.1
79.05486	3.8
79.63088	0.7
80.05022	2.2
80.98289	0.7
81.07056	8.9
83.04994	0.7
83.08609	3.5
83.19197	0.7
86.06087	1.3
88.48046	0.6
90.05574	2.8
91.05490	3.0
93.07039	3.4
94.06593	0.8
95.04979	1.3
95.08613	8.6
97.10175	1.5
98.98476	1.9
102.05553	1.7
105.07037	2.3
107.08582	1.9
107.91396	0.9
109.10167	4.3
119.08619	2.3
121.10160	2.4
123.11767	1.5
133.10126	1.5
135.11725	1.7
137.05972	5.0
140.01103	2.0
163.14894	0.8
174.74051	0.7
233.22812	0.9
242.24936	1.4
245.22740	1.1
245.51895	0.7
262.25394	3.4
263.23837	0.8
280.26346	8.6
298.27399	29.5
299.27948	2.5
396.11273	0.9
396.25168	6.0
397.25742	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	396.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31927	0.5
55.05513	3.0
56.05032	3.5
56.96562	0.9
57.03445	1.8
57.07073	1.5
60.04529	100.0
61.04881	0.7
62.42290	0.6
67.05506	6.6
69.07075	4.3
69.56596	1.1
69.56995	1.7
70.58751	0.5
71.08643	0.9
72.04523	3.0
74.06081	9.3
79.05495	4.5
80.05037	1.9
81.03420	1.1
81.07050	9.0
82.06584	0.9
83.08612	3.4
84.08117	0.7
90.05576	1.6
91.05496	2.6
92.85992	0.6
93.07046	3.0
94.06612	0.8
95.04973	0.9
95.08606	7.2
97.06539	0.7
97.10166	1.4
98.98468	1.5
102.05524	0.9
105.07060	0.8
107.08612	1.6
109.10179	2.6
119.08613	1.8
121.10181	2.3
133.10143	1.5
135.11732	1.1
137.13315	0.9
140.01103	1.9
149.60919	0.6
169.59659	0.6
208.64775	0.8
245.20216	0.7
245.22644	1.3
262.25201	2.9
280.26343	8.1
280.29129	0.8
281.26761	0.7
298.27399	31.9
299.27762	3.6
374.17926	0.8
396.24954	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	396.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
55.01867	0.8
55.05512	1.1
57.07067	1.1
60.13539	0.5
65.03937	2.3
66.52123	0.4
67.05514	2.5
69.07066	2.0
71.04996	0.6
71.08640	2.4
79.05499	2.1
81.07056	3.7
83.08601	0.5
85.06541	1.2
91.05483	100.0
92.05827	2.1
93.07030	2.6
95.04971	5.3
95.08620	3.7
95.46150	0.4
95.56936	0.5
95.98871	0.5
97.06538	1.3
99.08101	1.0
105.07010	2.1
106.05837	0.7
106.06555	13.1
107.08603	3.5
108.08119	18.9
108.08870	0.9
109.06506	7.0
109.08440	0.5
109.10156	1.1
114.63927	0.4
117.07018	1.4
119.08569	2.4
121.06477	1.0
121.10178	1.0
129.06985	1.0
131.08562	1.8
133.10165	1.5
135.08124	0.8
137.09636	0.9
141.06978	0.8
145.10078	1.1
147.11711	1.2
149.09601	0.5
149.13263	0.9
155.08601	0.5
157.10153	0.5
159.11650	1.1
163.11192	0.9
163.14857	0.8
165.12766	24.1
166.13075	0.9
173.13295	1.5
174.13661	0.5
175.11162	1.4
176.10703	1.0
177.12730	0.5
183.11658	0.8
187.14743	0.6
190.12292	0.6
191.14320	3.4
201.12770	1.1
204.13805	0.6
229.19466	0.5
232.16661	0.5
242.15364	0.5
244.17010	1.5
261.22183	0.6
271.20627	1.9
274.17825	0.6
280.20816	0.4
282.18576	1.3
289.21634	4.2
290.21936	0.7
298.21710	5.0
308.65591	0.5
378.27820	1.0
379.26675	0.5
396.28958	10.8
396.34503	7.2
397.29395	1.5
397.34586	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	396.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98735	0.3
55.01867	0.9
55.05515	1.2
57.07067	1.6
57.89145	0.3
61.42204	0.4
65.03940	2.4
67.05508	2.3
67.66228	0.4
69.07073	2.3
71.08631	2.7
73.24893	0.3
79.05496	2.2
81.07065	4.1
83.04973	0.4
83.08619	0.6
85.06541	1.1
87.90551	0.4
91.05485	100.0
92.05817	3.3
93.07056	3.3
95.04974	4.8
95.08608	4.4
97.06533	1.0
98.22649	0.9
99.08101	1.2
105.07033	2.9
106.06563	12.1
107.06911	0.4
107.08605	3.1
108.08126	16.2
108.08867	0.8
109.06526	6.4
109.08471	0.6
109.10173	1.3
117.07009	1.9
119.08596	2.2
121.06472	0.8
121.10162	0.8
123.08044	0.4
129.07033	0.7
131.08545	1.6
133.10164	2.1
135.08101	0.6
137.09605	0.5
143.08534	0.8
143.94186	0.4
145.10118	0.9
147.11688	0.9
149.13321	0.8
151.11105	0.4
155.08582	0.4
157.10104	0.4
159.11737	0.9
161.13231	0.5
163.11208	0.7
163.14851	0.8
165.12761	25.1
166.13144	1.4
169.10039	0.4
170.11897	0.4
171.11761	0.6
173.13278	1.6
175.11215	0.8
176.10747	0.7
183.11694	0.7
187.14790	0.5
191.14285	3.0
199.43481	0.3
201.12796	0.7
218.15489	0.7
229.19447	0.5
244.17085	1.7
261.22235	0.5
271.20572	1.2
274.18246	0.4
282.18579	1.1
289.21686	3.5
298.21609	4.1
378.27914	0.6
379.26590	0.7
396.29019	8.3
397.29276	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	396.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82447	1.1
55.05504	2.2
57.07080	28.9
57.77848	1.0
63.11433	1.0
67.04433	1.2
68.51203	1.0
71.08628	25.9
71.30923	1.6
71.45447	1.1
73.06544	3.6
80.71665	1.1
83.08621	4.0
85.10180	24.3
85.88725	1.1
86.09743	1.1
87.04463	2.8
89.06033	100.0
90.06357	1.8
91.05474	3.6
99.11744	3.1
107.07066	2.9
117.09119	2.1
132.77043	1.2
133.08603	39.7
141.16379	3.8
151.09688	3.7
159.34036	1.1
172.58653	1.4
177.11223	8.0
181.38678	1.2
185.19023	4.7
195.12244	1.9
203.02435	1.1
216.73740	1.5
216.79999	1.1
227.57890	1.2
229.21614	3.2
239.14891	16.3
253.71335	1.4
273.24368	1.7
335.27823	1.6
379.30490	20.0
397.28607	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	397.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01009	0.4
69.36706	0.3
70.06630	0.4
76.92496	0.4
101.40535	0.4
121.26108	0.4
123.04429	0.6
153.01857	1.6
164.93977	0.5
185.04192	3.2
205.04724	5.9
212.12822	0.4
234.08643	4.1
235.09424	10.0
239.38422	0.4
271.06107	0.5
309.09570	0.5
377.73364	0.5
386.23181	0.4
397.14716	100.0
398.15067	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	397.1469
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
52.48833	0.4
55.01900	0.4
70.84784	0.8
79.24206	0.5
100.11268	2.0
138.11761	0.4
153.01857	0.9
185.04245	3.4
205.04710	6.1
205.06348	0.6
234.08580	5.7
235.09407	9.5
309.09573	0.9
339.10574	0.6
355.08963	0.4
397.14709	100.0
397.31549	2.4
398.15042	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	397.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11882	0.4
69.09054	0.3
70.06591	0.5
70.60279	0.9
82.51899	0.3
85.29996	0.3
86.92645	0.3
119.85262	0.3
177.20964	0.4
181.05064	0.4
185.04242	2.5
189.05196	0.6
219.06319	1.1
234.08640	8.2
235.05840	0.7
235.09416	8.3
236.09784	0.3
339.32208	0.3
366.12830	0.5
367.13693	1.0
397.14725	100.0
398.15042	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	397.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89311	0.8
55.05496	1.3
67.05505	1.4
69.03453	5.5
69.07082	0.8
69.20103	2.3
69.20505	2.4
71.04977	1.6
74.98186	0.8
76.84263	0.8
79.05461	1.6
81.03433	5.1
81.07046	3.6
83.04983	1.8
85.02914	1.5
86.32280	0.8
91.05446	1.4
93.07038	3.8
95.04942	1.8
95.08636	1.8
97.06519	1.0
98.23325	1.3
99.04466	1.2
105.07027	4.3
105.47601	0.9
107.04962	1.1
107.08588	2.5
109.02851	2.0
109.06494	1.5
110.07202	1.0
114.75137	0.8
119.08552	1.9
121.02829	2.4
121.06505	2.1
121.10143	1.0
123.04469	1.0
127.03916	2.1
133.10089	1.4
135.08086	1.1
137.05994	0.9
143.08582	0.9
147.11664	3.4
153.01701	0.8
157.10065	1.0
161.13264	0.8
165.12730	2.6
171.11659	1.1
175.11168	1.2
188.70863	0.8
189.12758	1.7
193.12248	1.9
199.11110	1.0
201.03719	22.3
202.06015	2.9
203.05273	42.4
206.10745	1.0
217.12071	5.5
219.13623	5.1
235.13199	3.6
299.05536	2.6
361.01904	1.0
379.08115	2.8
388.93817	1.0
397.13162	3.4
397.18228	100.0
398.18417	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	397.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80365	4.2
55.01875	10.4
55.05503	6.6
57.03423	16.4
57.07074	13.9
61.02913	8.9
67.05495	11.4
69.03439	28.8
69.07062	16.4
71.01340	11.2
71.08624	11.1
71.29591	5.2
73.02916	12.4
79.05466	9.5
81.03422	10.1
81.07050	13.7
83.04994	8.0
85.02911	37.0
86.09693	4.2
91.05480	12.2
93.07024	9.3
95.04975	4.4
95.08607	20.3
97.02898	18.4
100.11212	5.0
103.03940	7.5
105.07034	16.9
107.08604	15.0
109.02934	8.7
109.06549	6.4
111.04465	8.9
111.08086	5.3
115.03960	10.0
117.07024	5.3
119.08570	10.8
121.06500	26.0
121.10132	6.9
123.04417	4.4
123.08102	5.5
125.06011	5.5
127.03925	6.7
133.04968	14.5
133.06548	4.5
133.10178	6.5
135.08041	20.9
137.05983	75.5
143.08585	6.4
144.01709	4.1
145.05022	5.6
145.10162	5.1
147.08067	7.0
149.09628	9.0
151.07547	100.0
161.05914	9.7
161.09569	5.1
163.03926	26.5
163.07553	13.0
174.06757	6.1
175.07530	15.4
177.09102	28.8
188.08379	4.8
189.09106	76.8
191.10646	15.4
203.10684	5.6
217.15819	9.5
235.16951	27.3
236.08548	4.3
245.15265	19.1
247.16931	34.2
259.17010	15.3
277.10721	4.9
278.43597	4.6
307.96579	4.8
325.18005	4.5
374.98181	7.9
392.99078	3.9
397.13684	4.8
397.18222	5.2
397.22049	35.0
398.22192	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	397.2225
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
53.03949	8.6
53.41191	3.5
55.01887	3.9
55.05514	18.8
57.03450	4.1
57.07088	5.6
57.67355	3.4
59.05003	5.1
67.05512	36.0
68.43956	3.1
69.03427	13.7
69.07072	25.6
70.07413	3.8
71.04985	29.5
78.50186	3.7
79.05500	16.7
81.03428	6.2
81.07056	54.8
83.04971	10.6
83.08613	16.6
85.02902	10.1
87.04482	4.4
89.06044	5.1
91.05495	19.5
92.42416	3.2
93.07045	60.5
95.04966	43.3
95.08617	24.6
95.29864	3.8
97.02893	5.0
97.06563	6.7
100.11263	16.0
105.07037	46.3
107.08591	100.0
107.09288	5.6
108.08941	4.1
109.02896	7.2
109.06515	10.2
109.10151	57.1
111.04466	3.4
111.08092	50.0
117.06974	6.6
118.52614	4.0
119.08580	38.9
121.06530	4.9
121.10149	25.0
123.11713	8.0
125.09633	43.5
127.03869	5.8
127.11218	4.7
131.08575	14.5
133.10147	25.8
135.11696	43.9
137.05977	8.3
143.08641	5.1
145.10127	19.7
147.08069	11.7
147.11702	68.1
149.09665	6.9
153.12737	38.8
157.10138	10.8
159.11729	8.7
161.09682	7.2
161.13300	4.4
162.41423	3.4
163.11166	8.8
165.09195	4.1
165.12743	8.5
172.24933	4.1
175.11157	9.3
175.14865	7.5
189.16391	30.0
193.15970	5.6
199.14809	5.6
207.17490	5.5
210.15057	6.9
217.15881	29.6
235.16954	30.7
252.42673	4.4
253.17998	10.2
273.10950	3.9
379.21161	8.8
397.12415	7.4
397.22141	14.2
397.25980	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	397.2225
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03946	2.1
55.01876	2.6
55.05515	12.5
57.03435	4.6
61.02930	5.6
67.05528	2.4
69.03432	15.1
69.07076	2.5
69.39668	5.8
71.04998	1.9
72.08151	1.2
73.02905	2.9
75.20947	1.1
75.40179	1.1
79.05494	3.7
81.03415	6.4
81.07044	10.4
83.04993	2.8
83.08643	1.8
85.02914	34.4
85.06549	5.2
87.04482	1.9
91.05490	5.4
93.03358	1.1
93.07047	4.9
95.04956	2.8
95.08614	5.3
95.09158	1.1
97.02903	13.6
99.04453	2.9
100.97955	1.0
105.07031	10.9
107.08595	6.8
109.02887	5.1
109.06511	2.9
109.10175	2.0
110.07201	1.4
117.07040	2.0
119.08614	9.1
119.61812	1.0
121.06557	1.2
121.10162	4.7
123.04429	1.4
123.08061	2.2
124.03974	1.7
125.06001	3.4
127.03944	8.1
131.08572	3.0
133.06505	1.9
133.10141	13.8
135.08058	3.5
137.05923	1.2
137.09610	2.3
142.07779	2.6
143.08588	3.2
144.71240	1.1
145.04977	7.7
145.10123	4.6
146.07373	1.2
147.08051	8.2
147.11693	2.8
149.09628	11.7
156.09355	2.2
157.10144	4.6
159.11745	2.5
161.09615	18.5
162.10417	10.8
163.11169	7.0
165.09114	1.8
171.11765	2.0
175.11128	1.8
179.10693	18.8
185.11539	1.2
189.16357	2.9
199.14952	2.3
217.15891	100.0
218.16188	7.1
235.16919	5.7
309.53827	1.0
352.24225	1.6
379.38400	1.4
397.22256	20.6
397.27493	1.1
398.22540	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	397.2563
Annotation	His Lys Leu
Peak:m/z	Relative Intensity
51.16219	0.6
55.05515	0.9
67.05502	1.3
69.07061	0.9
70.43378	0.6
71.06283	1.3
71.99220	0.6
79.05486	0.9
81.07053	2.6
91.05464	1.1
93.07041	1.2
95.08604	1.9
105.07018	1.4
107.08620	1.1
109.02837	0.8
109.10176	0.7
119.08568	1.6
121.06516	0.7
121.10140	0.7
123.11671	0.6
137.05991	2.0
145.10101	0.7
147.11789	0.7
175.14728	0.7
187.11139	0.6
197.13237	0.7
210.14954	1.1
217.16000	1.4
235.09062	0.6
235.16962	1.1
257.17526	2.4
273.11111	1.2
367.24573	0.9
395.69525	0.7
397.18320	3.9
397.25632	100.0
398.25937	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	397.2564
Annotation	His Lys Leu
Peak:m/z	Relative Intensity
67.53111	0.3
69.49425	1.6
72.08090	0.3
79.05486	0.5
81.07024	0.5
91.05502	0.6
93.07023	0.4
95.08655	0.4
95.49165	0.4
98.22632	0.4
105.07021	0.4
107.04963	1.1
107.08559	0.4
109.10185	0.4
115.71774	0.3
137.06010	0.4
167.07042	2.2
167.08224	0.3
183.54800	0.4
187.07483	0.3
195.32797	0.3
201.02025	0.3
224.16017	0.4
294.08582	0.4
337.10699	0.5
356.15170	0.4
367.24457	0.9
397.25626	100.0
398.26022	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35999	7.5
56.40085	7.3
57.03429	25.9
61.02906	8.2
69.03437	73.4
69.07079	38.0
70.06595	17.8
73.02936	20.4
85.02913	94.7
86.09702	12.1
87.04472	55.9
91.05511	8.2
97.02897	77.5
97.10155	23.3
101.02382	8.6
109.02892	12.2
111.08073	18.7
115.03934	95.5
120.08102	21.7
121.06553	10.9
121.08393	10.7
127.03899	26.2
132.35217	9.3
133.04973	100.0
141.05449	8.5
145.04964	39.6
146.06006	10.9
150.07672	9.4
152.20560	8.0
163.06004	24.4
184.07355	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	399.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04435	8.5
70.58352	9.4
70.58677	17.7
76.35278	8.6
94.93026	100.0
96.92856	8.4
109.27729	8.3
136.06201	10.5
149.92380	6.7
149.93578	34.7
171.25685	8.8
188.89670	16.7
204.87018	75.3
212.85040	8.2
274.97568	7.7
310.89426	8.1
399.06873	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	399.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33464	3.7
52.97300	4.0
56.05036	4.6
56.80864	4.4
59.86526	3.9
65.13175	3.7
66.38000	3.7
70.06589	17.6
71.29154	5.2
71.63274	4.7
72.08143	9.5
72.79783	3.8
84.04505	5.3
85.02898	5.1
97.02862	6.8
113.02380	3.6
123.04446	9.3
125.86282	3.9
136.06201	9.1
197.05013	3.8
205.38007	5.1
235.55678	4.5
237.07458	6.4
250.09337	8.8
308.87213	3.9
344.28430	4.0
357.65192	5.2
399.10571	100.0
399.16217	20.9
400.10852	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	399.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93590	0.5
55.01872	3.5
56.96571	0.8
62.50431	0.5
65.36831	0.7
69.03426	1.3
70.06597	2.8
71.08620	3.3
71.28618	0.5
72.08168	0.7
75.12321	0.5
81.03396	0.7
85.02901	2.4
88.11269	16.7
95.36768	0.5
97.02892	2.2
98.97596	1.6
105.07036	1.3
107.04954	0.7
120.08099	1.0
132.04420	6.6
136.06189	2.0
146.02422	0.9
146.05995	2.5
150.05508	1.4
150.38791	0.5
156.04335	0.7
156.07773	0.6
174.05505	26.1
175.05800	1.6
192.13722	0.9
202.04991	100.0
203.03523	1.2
203.05255	4.7
213.00717	0.6
220.06052	12.5
220.13263	0.6
221.06471	0.6
237.02893	0.7
238.14352	0.9
250.09346	1.7
327.61844	0.6
339.03897	1.3
355.04312	0.7
373.77771	0.6
399.08597	0.8
399.16293	2.0
399.27054	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	399.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01874	12.9
55.88509	1.3
57.03436	6.7
57.48371	1.4
59.04992	2.4
61.01145	3.0
61.02933	6.6
68.99792	4.6
69.03435	33.4
71.04999	7.4
73.02923	11.1
79.05491	1.5
81.03424	35.3
81.07047	1.9
83.39657	1.3
85.02912	100.0
87.00836	36.5
87.04470	1.8
88.03995	3.0
89.03933	1.7
91.03951	3.1
97.02898	60.2
98.22511	2.2
99.04463	20.1
105.01874	37.2
109.02886	33.2
109.03590	2.6
110.03153	1.2
115.03991	1.5
116.04984	26.2
117.01834	4.3
117.87686	1.2
127.03920	89.1
128.04231	2.1
129.01822	6.2
138.05530	12.0
145.04965	63.0
146.05139	1.4
147.02902	5.0
158.05984	2.4
159.02895	30.0
163.04277	8.2
174.05588	2.6
177.03987	3.6
180.06891	1.6
198.07623	22.3
198.09279	2.4
202.05011	4.4
213.03931	2.5
231.05046	17.2
247.27943	1.2
249.06128	4.5
262.07401	9.3
315.04944	1.9
352.11090	1.5
391.60034	1.4
411.00821	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	399.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01877	12.3
57.03436	4.5
57.03895	3.6
61.02927	7.8
64.71858	3.1
69.03435	31.7
70.06596	4.9
70.59033	3.5
70.59357	4.8
73.02927	12.1
81.03433	32.3
81.07078	3.3
85.02910	100.0
85.26167	3.3
87.00831	36.5
96.59471	3.0
97.02895	51.4
99.04453	17.3
105.01871	39.0
109.02875	30.8
116.05007	24.2
127.03928	84.1
129.01802	3.3
145.04961	56.7
147.02815	4.2
159.02890	30.2
162.60738	3.4
231.04962	16.9
249.05952	3.5
399.14438	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	399.1551
Annotation	Alstoyunine D
Peak:m/z	Relative Intensity
55.01873	5.8
63.72630	0.7
73.87193	0.6
80.38692	0.6
80.41901	0.6
82.02906	1.0
82.96423	0.8
91.05468	9.3
93.07156	0.6
98.22607	1.5
103.05463	23.8
103.93514	0.7
105.07020	1.1
118.06528	1.0
120.08105	34.6
121.06500	39.9
121.08406	1.4
122.06845	1.2
129.06955	1.7
131.04926	10.2
131.08575	1.8
132.04448	1.8
132.08035	1.0
135.08041	3.8
146.02325	1.0
146.06013	7.2
146.09616	0.9
156.08090	10.2
157.06490	4.0
163.07556	7.0
165.39348	0.7
174.05513	14.9
174.09114	10.4
175.05891	0.8
180.10178	3.9
184.07573	12.1
185.06003	1.5
185.07941	0.9
202.04996	29.1
202.08624	100.0
203.05156	0.9
203.08904	5.9
220.06062	9.5
230.08116	26.6
231.08456	2.2
262.10751	47.5
263.11044	3.9
310.77173	0.8
372.39386	1.0
399.14264	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	399.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.7
67.05514	8.0
69.03432	14.1
69.07082	2.8
71.30096	1.9
79.05498	4.7
81.07043	4.5
83.04960	1.8
84.04458	1.5
91.05480	15.2
93.07067	2.9
95.08612	3.6
97.02884	6.0
97.06547	1.8
97.10228	1.9
99.04457	2.1
102.05494	2.3
103.05463	13.6
105.07026	3.0
107.04933	8.1
107.08629	1.8
109.10163	6.8
118.06567	8.3
119.08569	2.2
120.04452	3.4
120.08106	23.3
121.10157	1.7
125.09612	2.6
127.99706	1.7
131.04941	5.7
133.06416	1.9
136.06180	7.9
137.09641	1.7
143.08598	3.6
145.10117	4.6
146.02382	6.6
146.06006	14.1
149.05968	2.3
161.09637	3.2
166.08530	1.6
170.09659	2.9
178.56435	1.8
184.07329	1.9
188.07054	14.0
188.10735	5.1
189.09167	2.1
189.11150	2.1
198.09178	5.8
216.06706	30.1
216.10181	100.0
217.07007	2.1
217.10576	4.6
234.07640	11.2
237.18582	1.7
244.09674	14.0
250.09384	6.5
252.13252	1.7
258.53030	1.5
262.10751	41.7
262.98526	1.8
263.11032	3.7
360.16721	2.0
399.23553	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	399.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
53.55597	0.4
56.05035	0.7
70.06599	3.6
71.05002	0.9
71.28188	0.7
88.07651	0.5
91.05477	3.1
93.07056	5.8
95.04985	1.0
97.02917	1.8
98.06023	0.4
102.05556	0.7
103.05471	4.2
105.04539	0.5
116.07101	3.0
119.04911	0.4
121.06513	100.0
122.06844	3.6
123.04417	0.6
130.08655	3.3
134.08151	0.4
136.06197	2.9
138.09146	25.6
139.09459	0.8
147.04494	0.5
148.04730	0.4
151.07527	0.7
158.08125	0.8
173.09151	0.5
176.09166	2.5
202.07109	1.4
244.08194	0.5
250.09409	1.5
262.09222	3.7
266.70477	0.4
355.04694	0.5
381.13959	0.7
399.04880	0.6
399.12573	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	399.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
56.02199	0.5
56.05036	1.1
65.55348	0.6
68.33501	0.5
70.06595	2.7
71.04982	1.1
88.07633	0.9
91.05479	3.4
93.07059	5.0
95.04988	1.3
97.02895	2.1
102.05569	0.8
103.05479	4.1
110.07139	0.7
116.07096	1.9
121.06515	100.0
122.06855	3.9
130.08614	3.6
136.06189	2.0
138.09145	23.3
139.09492	1.0
158.08197	0.9
176.09204	1.9
202.07198	1.3
250.09412	1.8
262.09259	3.2
287.14355	0.5
317.98087	0.6
399.12524	0.8
407.23999	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	399.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.8
64.96850	0.5
66.25240	0.5
67.05447	0.7
71.76852	0.6
72.08097	0.6
75.62945	0.8
79.05430	0.8
81.06989	0.5
85.02872	0.7
93.06979	0.6
97.02855	0.9
121.10124	0.7
129.41629	0.6
136.06166	1.0
137.05823	0.6
150.09056	0.9
159.04343	0.8
162.48402	0.6
183.12912	0.5
185.04216	18.6
237.14615	100.0
238.14960	5.7
250.09335	1.1
399.19998	78.5
400.20532	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	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41870	5.9
53.03937	7.8
55.01868	7.9
55.05510	19.0
57.03426	9.5
57.07066	8.2
59.05013	8.8
61.02908	7.0
62.98418	6.5
67.05508	34.1
69.03445	39.4
69.07065	9.3
69.34941	33.9
69.35352	8.7
71.05000	34.5
71.08643	9.4
72.11011	7.9
78.53281	6.7
79.05487	41.2
81.03407	21.2
81.07064	100.0
83.04974	9.6
83.08634	9.1
85.02910	62.0
91.05466	24.5
93.07053	46.1
95.04990	13.9
95.08585	35.5
97.02893	29.2
97.06521	12.3
99.08096	44.9
105.07043	56.2
107.04980	8.8
107.08606	30.9
109.02872	11.3
109.06529	14.7
109.10161	55.6
111.04430	6.8
111.08094	8.0
117.01702	6.8
117.06979	7.8
119.08591	30.9
121.06525	15.3
121.10177	45.3
123.08017	9.9
123.11686	6.4
125.09670	16.5
127.03921	16.5
127.07535	31.5
127.11200	18.6
131.04918	9.7
131.08556	26.5
133.10123	95.4
135.07970	7.1
135.11694	13.5
137.02341	12.4
137.09627	18.7
143.10744	8.7
145.04947	10.8
145.10150	31.2
147.11665	27.0
151.11192	21.7
155.10657	9.2
157.10263	8.4
159.11696	22.6
161.13229	10.5
175.03922	7.8
201.16339	32.5
219.06395	7.5
219.17442	34.6
220.17853	9.1
237.18422	13.8
243.88063	6.8
245.06160	7.1
266.35065	6.2
276.86310	6.9
277.72079	6.8
315.05057	11.5
327.05093	7.1
339.04904	13.6
341.06625	8.0
364.11078	7.5
381.05945	9.4
382.12930	10.7
398.15851	7.5
399.07080	17.3
399.14682	17.3
399.19897	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	399.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01889	12.2
55.05507	7.3
57.03434	3.0
65.03942	5.8
67.05511	14.4
69.03428	14.0
69.07064	6.7
71.05004	8.6
71.29549	2.6
73.02905	2.3
77.69724	2.1
79.05487	12.7
81.03415	9.3
81.07059	29.3
83.08585	2.4
85.02907	15.7
91.05450	11.3
93.03414	2.5
93.07045	10.3
95.04974	5.4
95.08595	10.4
97.02909	12.4
97.06498	2.8
97.10178	2.5
99.08101	13.9
103.05509	2.5
105.07040	29.1
106.07410	3.4
107.08601	15.9
109.02913	3.6
109.06514	5.5
109.10162	23.7
111.04485	2.7
115.05448	4.2
117.07011	2.9
119.08592	15.4
121.02861	12.0
121.06449	2.7
121.10159	11.4
123.04494	2.9
123.08096	3.6
123.11710	4.9
125.09605	11.8
127.03909	6.4
127.07571	19.3
127.11211	3.0
129.05469	2.8
131.08569	7.1
133.10127	22.2
135.04463	2.9
135.11646	2.9
136.06171	3.5
137.02362	72.9
137.03433	8.0
137.05898	2.5
137.09625	9.5
141.01834	2.8
143.10658	9.5
145.10109	5.0
147.04506	3.1
147.11732	14.5
149.02316	3.5
149.13217	3.1
151.11183	5.5
159.04396	9.3
159.11710	5.9
161.02429	4.7
163.03925	5.2
167.10672	2.9
171.11729	2.7
173.13252	3.7
175.03944	7.8
175.11159	4.5
177.16454	2.6
187.03938	6.3
189.01837	13.0
191.03293	2.7
201.16379	5.5
203.03387	6.9
209.05957	5.7
219.17465	24.3
231.02873	2.5
233.07361	2.9
237.18492	6.2
250.09297	7.0
251.07149	3.0
265.04889	2.5
267.06424	3.1
270.62537	2.4
279.06500	3.8
283.05942	4.0
285.03961	4.2
299.05524	6.2
311.05551	3.4
313.06970	3.2
315.05011	35.2
316.05356	2.6
322.10736	2.9
325.07016	6.4
327.04944	11.1
329.06528	4.7
339.05008	78.9
340.05371	10.5
341.06625	15.0
352.05807	13.1
353.06610	20.3
368.05408	5.5
369.05994	9.9
381.06058	100.0
382.06641	10.9
399.07114	47.7
399.23669	4.9
400.07339	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	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18005	3.8
55.01874	6.6
55.05513	18.8
57.07079	9.5
61.66142	4.0
64.96004	3.5
67.05510	18.0
67.37082	4.5
69.03439	13.4
69.07074	8.2
69.25317	19.5
70.06600	6.3
71.04992	7.4
79.05506	13.2
81.03439	4.6
81.07062	57.6
83.04992	9.0
83.08627	7.3
83.80568	3.6
85.02904	25.2
85.06541	5.8
91.05488	14.2
93.07050	20.4
95.04940	7.2
95.08610	20.3
97.02906	15.6
97.06564	6.2
99.04472	3.9
99.08105	21.4
105.07045	40.2
107.08597	26.5
109.02846	5.8
109.06541	5.8
109.10172	39.4
111.04511	8.3
117.06993	8.9
119.08594	13.5
121.06493	6.2
121.10149	17.5
123.08100	4.3
123.11699	6.3
123.99658	4.0
125.09651	16.0
127.03921	5.5
127.07561	31.8
127.11185	4.1
129.05461	7.0
129.07018	4.3
129.09044	4.3
131.08575	5.7
133.10109	24.5
135.08061	5.3
135.11699	4.0
136.06174	11.0
137.09651	17.3
137.13351	4.3
143.10690	12.5
145.10156	11.4
147.11700	34.9
151.11182	8.8
153.01799	7.7
155.07048	7.4
159.11665	10.2
161.13251	6.0
182.15346	4.1
201.16449	7.2
210.14856	6.8
219.17496	38.8
220.17908	4.3
237.11226	8.7
237.18500	19.5
250.09450	13.9
303.02109	4.8
367.61905	4.4
381.23416	7.3
399.10312	7.0
399.14896	4.8
399.19510	7.8
399.27396	100.0
400.27686	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	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.9
55.01875	10.2
55.05511	16.1
57.03419	9.4
57.07080	7.0
59.05082	5.9
60.66017	5.3
61.02933	8.1
67.05502	25.2
69.03439	36.3
69.07085	10.8
71.04991	25.0
73.02908	5.4
79.05489	27.3
81.03433	21.3
81.07060	100.0
85.02900	49.7
91.05479	21.7
93.07048	24.2
95.04973	5.7
95.08617	30.0
97.02900	18.7
97.06532	7.6
99.04457	5.9
99.08102	33.1
105.07042	35.3
107.08597	36.8
109.02883	9.5
109.06525	10.0
109.10162	36.5
111.04483	9.2
111.08047	7.2
119.04900	5.4
119.08591	25.6
121.06412	8.0
121.10123	38.6
123.08074	9.3
123.11723	10.8
125.09634	13.4
127.03934	12.7
127.07564	37.9
127.11217	20.5
129.05391	8.0
131.04929	11.8
131.08585	23.4
133.08578	6.6
133.10138	72.8
135.04411	6.3
135.11687	9.8
137.02353	11.8
137.05965	8.4
137.09615	15.7
143.10722	11.4
145.04971	6.2
145.10159	23.2
147.04314	6.1
147.11710	21.4
149.09630	9.2
151.11237	13.1
159.11722	19.2
169.12213	9.0
176.14139	5.5
201.16405	17.7
208.15678	5.8
219.17357	34.5
237.18524	16.8
250.09422	6.4
276.18637	5.2
335.12390	6.5
339.04871	14.3
341.06625	7.9
364.11697	6.0
368.38895	5.3
382.12866	8.9
399.07199	20.6
399.14771	8.1
399.19656	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	399.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67258	0.4
59.49926	0.4
69.03421	0.6
69.53503	0.4
71.05006	0.4
79.05490	0.6
81.07056	0.6
85.02921	0.5
91.05448	0.4
93.07062	0.5
95.08602	0.4
97.02893	0.9
99.23647	0.5
99.26765	0.4
105.07019	0.7
107.04990	0.9
107.08572	0.5
109.10149	0.5
111.04488	0.7
119.08604	0.5
121.06504	0.8
121.10136	0.6
136.06157	0.5
145.02866	1.0
145.10155	0.7
151.03949	0.4
151.20976	0.4
151.31259	0.4
167.07062	0.7
174.05449	0.8
177.05463	2.1
202.04994	1.0
216.06665	0.4
218.08073	0.5
220.06242	0.4
250.09540	0.5
262.07047	0.5
339.05087	0.5
353.06757	0.5
369.26309	1.1
381.06052	0.8
391.64905	0.5
399.16418	7.1
399.27194	100.0
400.16333	0.8
400.27509	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03005	0.4
51.20006	0.4
53.03934	0.6
55.01857	0.4
57.03430	0.7
61.02914	1.5
64.34201	0.4
69.03430	4.7
69.78877	1.0
69.79257	0.8
73.02921	0.7
81.03421	2.5
81.90263	0.3
85.02903	12.5
87.04465	0.7
91.03934	0.5
91.23189	0.4
97.02883	3.2
98.23482	0.4
99.04457	0.8
104.04932	0.7
108.04462	0.6
109.02865	1.7
124.55814	0.4
127.03928	2.1
132.04454	10.1
136.03947	1.9
145.04991	1.1
150.05511	0.4
160.03940	14.9
161.04344	0.5
162.05573	0.4
164.03424	13.7
165.03783	0.6
177.04144	0.7
178.04991	100.0
179.05385	3.4
202.05011	1.4
206.04497	20.1
207.04791	1.4
220.06065	5.0
238.07094	31.9
239.07373	2.1
248.05534	0.9
280.08414	1.0
362.30234	0.4
400.12366	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	400.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01865	0.7
57.03429	1.3
58.06602	0.4
61.02925	1.9
61.56401	0.2
68.05032	3.0
69.03431	4.4
69.67824	0.2
69.68149	1.0
70.06582	1.8
71.04980	0.7
72.08140	0.3
73.02911	0.8
80.05012	0.4
81.03416	2.2
84.04518	1.2
84.08144	0.3
85.02902	9.9
85.04025	0.3
86.06067	15.5
86.09708	2.1
87.04460	0.8
91.03938	0.5
93.05784	2.3
94.06552	0.7
96.04562	0.3
97.02890	4.0
98.00597	0.3
98.22725	0.3
99.04455	0.6
102.05518	0.2
104.04994	0.9
108.04482	0.8
109.02881	1.5
110.07160	0.3
113.03505	0.2
121.06500	0.5
121.19552	0.2
122.06070	0.3
122.90230	0.2
123.47518	0.2
124.02248	0.2
126.03740	19.0
127.03947	1.9
128.10727	0.5
129.10172	0.3
130.04991	0.6
132.04451	12.1
132.06551	5.6
133.04793	0.5
136.03929	1.4
136.06116	0.3
139.03877	0.3
145.05008	1.5
149.90933	0.3
150.05530	1.1
152.05243	1.4
153.01819	0.3
160.03940	13.7
160.64702	0.2
161.04276	0.5
163.03955	0.3
164.03419	8.6
165.03764	0.4
169.07925	0.7
177.03204	0.4
178.04990	100.0
179.05336	3.4
180.04773	1.3
188.03496	0.4
197.07422	0.5
206.04489	20.4
207.04794	1.0
220.06075	0.2
223.44244	0.2
229.15297	0.3
238.07095	23.0
239.07362	1.3
239.09531	0.2
245.11328	13.6
246.11665	0.4
255.07986	0.4
272.10672	0.5
362.02307	0.2
368.09698	0.4
400.12357	0.9
401.13916	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	400.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90195	0.8
58.06595	3.2
68.05028	15.0
69.07068	0.9
70.78513	1.3
70.78848	1.6
72.96518	0.7
82.44038	0.7
86.06069	100.0
86.09705	6.4
87.06393	1.6
97.08987	0.7
98.20788	0.6
106.73119	0.7
114.51949	0.7
128.10754	3.6
132.04440	1.1
132.06564	31.7
135.13451	0.9
160.03932	1.4
178.05003	6.1
180.25250	0.7
206.04483	1.9
238.07071	1.4
245.11334	88.6
246.11676	3.1
282.60226	0.8
346.41171	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54222	2.2
55.05515	6.1
56.05854	2.6
57.03436	11.4
61.02931	5.7
69.03433	38.5
69.31068	6.8
69.31476	8.4
70.06596	24.2
71.70986	2.2
72.08164	18.5
72.48064	2.2
73.02919	6.7
79.05502	2.9
79.70995	2.1
80.17400	2.1
81.03419	7.1
83.08627	4.8
84.08118	2.6
85.02904	52.1
86.09706	29.4
87.04453	21.3
91.03966	3.6
91.05482	2.5
97.02889	36.0
99.04472	3.5
100.07631	8.0
100.11259	16.6
101.11601	2.6
109.02905	6.0
111.04431	4.7
112.07693	2.3
115.03937	26.1
119.04957	2.8
120.08096	18.5
121.06532	4.4
127.03922	9.2
128.07109	6.7
129.07385	2.5
132.04471	13.8
133.04968	38.9
136.07565	14.0
145.04962	21.2
150.07535	2.1
160.03984	11.6
163.05995	6.0
164.03377	12.1
178.04997	100.0
179.05370	5.7
182.15375	12.0
183.15788	11.6
185.16566	4.5
199.18094	2.5
206.04439	26.3
210.14934	11.1
211.15262	16.6
213.16042	2.5
220.06105	4.3
228.17984	3.0
235.10965	2.6
238.07074	35.4
239.12621	3.0
245.11424	3.3
338.21671	11.9
355.24213	7.8
383.14905	5.5
383.23557	7.3
400.26309	2.9
401.28760	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	400.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
69.59341	3.3
70.06592	2.6
73.38734	0.6
73.69723	0.8
76.56876	0.7
79.05500	3.3
81.68861	0.8
82.09789	0.8
84.04500	0.8
103.05450	2.3
105.07036	100.0
106.07372	3.9
115.33172	0.7
122.09676	50.0
123.10023	1.1
135.35799	0.7
147.04471	0.9
153.01862	1.0
213.16235	0.7
220.78705	0.7
223.00896	0.8
226.98457	1.0
302.57428	0.8
306.96188	0.8
393.10266	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	401.1231
Annotation	4'-Demethylpodophyllotoxin
Peak:m/z	Relative Intensity
53.03964	2.3
60.82159	2.8
65.03944	9.8
67.05519	7.0
67.82265	2.2
71.30276	2.8
79.05511	6.9
82.04157	3.8
85.02933	4.8
89.09616	2.5
91.05492	7.6
93.03403	4.5
93.07068	2.7
95.01340	7.3
95.04978	9.3
103.05476	28.8
105.07029	11.4
107.04976	8.5
108.02129	4.6
110.03638	4.3
111.04469	4.8
115.05466	12.6
118.04192	3.6
119.04984	4.2
121.02874	3.8
125.05955	3.8
130.04134	3.8
131.04944	34.8
133.02875	4.2
133.06509	9.5
137.05988	8.9
138.03194	3.4
143.04929	9.5
145.02866	4.9
145.06476	4.7
146.03615	3.4
147.04404	5.2
148.05240	7.7
149.05949	2.6
151.03932	33.7
151.05017	3.9
151.07501	3.8
153.05508	4.9
155.07033	3.2
159.04474	6.4
160.05217	7.2
161.05969	16.0
163.07549	27.9
165.07077	2.4
167.07042	27.5
171.06599	3.4
173.05966	4.3
174.03082	3.2
175.07571	6.0
176.04700	6.6
176.06247	2.8
177.05475	6.4
178.07904	3.2
178.72658	2.3
179.03404	25.1
181.04970	100.0
182.05408	4.0
186.03191	6.9
188.04836	2.9
189.05502	61.6
189.07063	4.0
191.07034	70.7
191.08733	4.1
192.07454	5.2
196.05225	3.1
197.05952	3.4
201.05408	21.4
203.07036	11.5
205.06577	6.8
206.07309	2.6
207.08167	6.7
209.06090	4.9
210.06734	3.1
211.07610	9.0
213.05510	3.7
217.04898	5.2
217.08508	2.3
219.06400	14.3
220.05264	4.4
221.05997	7.2
221.08069	3.8
223.07625	3.3
227.07086	8.5
229.04967	11.2
233.06012	3.4
233.08099	3.1
234.06844	6.2
235.07481	14.3
236.04660	3.8
237.05460	7.7
237.09012	3.0
239.06978	5.8
240.07838	6.7
241.05031	5.4
247.06001	8.5
249.05356	4.3
249.07634	14.0
250.06244	4.9
251.07059	5.7
252.07912	6.6
255.06444	5.0
256.07269	12.8
261.05588	4.7
262.06299	6.1
263.07123	12.5
264.07761	4.0
265.04968	4.7
265.08722	3.7
266.05905	3.1
267.06619	4.8
267.10101	5.3
268.07419	3.1
269.07953	2.8
271.09665	8.2
272.43787	2.5
276.07709	2.6
277.08691	3.5
278.05505	5.1
279.06601	9.4
279.09839	3.2
280.07269	8.6
281.08194	3.9
290.05862	2.7
291.06461	4.4
292.07458	3.1
293.08234	6.7
295.06564	2.6
295.09476	12.7
296.06894	3.2
296.10156	3.3
297.07941	2.6
299.09171	31.8
305.07928	3.3
307.05978	8.7
307.09561	5.5
308.06732	10.1
309.07492	4.5
310.08182	3.2
311.09171	9.4
312.10242	3.4
315.08701	6.5
321.07669	4.8
322.08301	4.0
323.09149	25.0
323.12811	4.3
324.09744	3.7
325.07065	2.9
327.12210	5.2
330.10962	3.5
336.06372	4.3
337.07004	4.5
337.10797	5.6
339.08575	12.7
340.09146	4.3
341.10300	3.4
343.12000	3.6
351.08640	22.1
352.09448	3.4
352.66513	2.4
353.10373	4.4
355.11844	20.7
360.78534	2.4
368.08893	5.4
371.11148	14.8
383.10947	18.1
401.12274	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27254	1.3
55.01889	5.9
68.63243	1.3
72.04520	4.0
76.46588	1.4
82.02934	1.8
91.05498	14.6
95.04951	6.6
100.03986	27.8
103.05490	1.4
107.04957	13.2
119.04947	50.8
120.05317	1.3
123.04439	27.2
132.04471	2.1
136.07596	15.0
145.06538	2.5
146.06049	1.8
147.04439	10.9
155.06178	1.4
158.06001	1.3
162.05464	1.9
165.05479	14.3
170.15739	1.4
172.07564	11.9
173.05980	2.1
174.05507	18.9
190.08662	5.1
200.07072	31.5
201.10681	1.4
202.05002	29.2
202.06909	1.6
218.08142	100.0
219.08455	4.2
220.06021	13.1
246.07590	13.3
246.09857	1.6
261.05518	1.3
264.08688	53.1
265.08899	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	401.1573
Annotation	Asn Met His
Peak:m/z	Relative Intensity
67.05499	0.4
69.03424	0.4
70.06586	1.6
70.16930	1.1
72.08147	0.4
81.03402	0.5
81.07072	0.5
85.02898	1.1
86.09702	1.5
88.25867	0.4
90.52798	0.4
97.02889	1.1
105.06973	0.4
112.06554	0.4
115.05479	0.3
116.09190	0.4
119.08521	0.4
121.02843	0.5
121.06480	1.7
127.03891	0.5
153.01869	0.7
159.09175	0.4
163.11284	0.5
170.05974	0.9
181.04982	0.5
189.05347	0.7
204.07593	4.7
205.12305	0.9
215.13969	0.6
240.12289	1.4
250.92159	0.3
401.15714	100.0
402.16016	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	401.1574
Annotation	Asn Met His
Peak:m/z	Relative Intensity
67.05499	0.9
69.03429	1.0
69.33453	0.6
69.83817	2.2
70.06612	3.1
70.88776	0.5
72.08165	1.1
81.03428	1.1
81.07043	0.7
85.02908	0.8
86.06401	0.6
86.09720	4.6
90.83065	0.5
91.05508	0.7
93.07052	1.0
95.08622	0.8
97.02918	1.0
105.07026	1.0
107.08657	0.7
109.02887	1.2
109.06534	0.7
119.08608	0.7
127.03917	0.9
129.01843	0.7
136.22108	0.5
143.03429	0.7
153.01868	6.2
163.11229	0.9
167.07114	0.9
177.05482	0.6
189.05321	0.7
191.10728	0.9
204.07593	5.9
205.08278	1.1
290.63611	0.6
401.15735	100.0
401.28839	2.0
402.16013	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01870	3.0
65.03955	3.5
67.05479	2.3
69.03418	3.3
71.30319	1.8
77.95595	2.3
78.04718	4.3
79.05502	17.1
81.07063	1.9
83.04963	2.2
84.16622	2.0
85.02878	3.1
87.01300	2.0
91.05492	19.1
95.04974	12.3
103.05473	40.0
105.03407	4.1
105.07039	10.0
106.04151	5.4
107.04963	31.6
109.02891	3.3
109.06495	2.1
110.03651	3.7
111.16140	2.2
114.85144	1.8
115.05482	12.3
116.06232	2.7
117.07034	7.3
118.04181	10.8
119.04966	9.1
120.05750	3.0
121.06470	5.6
122.03679	3.1
123.04419	12.1
124.05230	8.2
125.05982	6.3
125.29805	2.1
128.06247	5.3
129.06995	5.9
130.04156	4.5
131.04938	35.9
131.08589	6.8
132.05746	4.4
133.02864	6.3
133.06522	5.0
135.08055	3.2
137.06039	4.4
139.03905	2.3
141.06999	4.3
141.93486	2.0
143.04915	4.0
144.05688	7.8
145.06508	9.1
146.03607	5.3
147.04465	5.6
148.05235	16.5
151.03914	37.1
151.05084	3.8
151.07533	2.5
152.04648	5.8
153.05457	12.3
156.05705	13.1
157.06473	3.2
158.07301	2.9
159.04402	3.7
159.08122	11.8
161.06000	9.0
163.03996	4.3
163.07552	32.0
165.05608	3.7
165.06996	4.8
167.07060	91.3
168.07303	2.5
173.05984	11.3
175.07526	4.9
176.04771	5.7
177.05502	4.2
179.03360	2.2
179.07019	3.6
181.04965	37.6
181.06471	3.9
181.08560	3.7
186.06834	3.5
187.07521	9.1
188.04625	2.2
189.05505	7.7
189.07033	2.4
190.06213	2.2
191.07040	100.0
192.07433	7.4
193.06400	2.5
193.08601	5.2
195.06523	4.7
197.05925	3.8
201.05440	3.7
201.09079	2.0
202.06236	5.1
202.07861	3.4
203.06888	5.1
204.07803	3.5
205.06827	3.1
205.08562	11.8
207.06496	5.6
208.05170	11.8
209.08072	2.7
210.06783	2.9
217.05138	2.5
217.08569	32.6
219.08070	11.1
219.10268	7.4
220.08716	4.1
221.06013	4.8
221.07957	3.5
222.06822	2.8
227.07068	3.8
229.08647	3.3
231.08209	5.1
231.10201	4.2
233.05930	2.7
233.09732	3.2
234.06718	3.7
235.07591	4.2
236.04726	4.5
237.05429	2.5
237.09085	2.6
239.07048	4.7
240.04301	3.8
247.07521	6.6
247.09689	21.1
248.08296	11.2
249.05396	2.4
249.09218	2.4
251.06973	4.2
252.07903	2.4
253.08749	2.7
254.05707	6.9
255.06383	2.5
259.07584	3.4
261.09103	4.7
262.09763	3.5
263.07132	3.6
263.10641	8.0
264.07843	6.1
265.08429	5.1
266.05637	5.3
267.06470	6.8
268.07156	2.7
269.05524	2.0
269.08087	14.3
270.08957	2.5
271.09610	6.0
272.06580	2.4
276.07785	4.5
277.08710	2.7
279.10205	5.2
280.07220	3.8
281.08209	5.9
282.08893	11.9
285.07642	2.8
285.11270	3.4
287.09161	3.7
290.09274	3.7
291.10156	13.4
292.07263	3.8
293.08118	9.7
293.11139	2.6
297.07523	2.7
297.11411	2.4
299.09100	3.0
301.07117	2.3
305.08041	3.1
307.09647	9.3
308.10458	4.9
310.08643	3.7
311.09293	3.8
311.12674	3.1
313.10620	3.8
315.08652	34.7
316.09106	4.8
319.09671	6.4
320.10153	2.8
321.07651	4.1
322.08563	3.1
323.09381	3.8
323.12854	11.5
325.10629	4.3
328.09259	2.7
330.10971	47.2
331.11557	10.7
336.10040	6.2
337.10611	6.3
339.12256	8.2
341.10461	5.1
343.11655	17.0
345.13364	6.5
351.12277	20.0
352.12656	5.1
353.10147	5.7
356.12552	2.7
368.12488	7.9
371.14844	2.8
373.12894	16.8
383.14929	45.0
384.15207	4.1
401.11539	18.8
401.16357	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	401.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67157	0.4
79.05500	0.7
81.07122	0.4
86.09733	0.5
91.05458	0.7
98.22614	0.8
98.33830	0.4
107.04978	0.8
109.44492	0.5
115.05434	0.6
123.04445	0.8
131.08560	0.4
138.05545	0.7
145.02893	0.8
151.78651	0.4
156.05725	0.8
159.08022	0.7
167.07069	2.1
177.05479	1.6
217.08629	1.3
221.11449	0.7
229.08743	0.8
239.12811	0.9
247.07446	0.7
257.12299	0.6
279.10281	0.5
307.09570	0.5
315.08710	0.8
323.12732	0.7
330.11005	0.9
337.10974	0.5
351.12433	0.9
357.14362	0.8
357.18823	13.8
357.71109	0.5
358.19217	0.8
383.14880	2.8
391.63599	0.5
401.17850	100.0
402.18292	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53229	2.3
53.03938	10.8
55.01869	11.0
55.05513	14.4
57.03436	8.5
57.07076	7.5
59.04993	3.0
61.02912	11.9
62.08276	2.6
67.01860	3.3
67.05505	19.0
68.99792	13.9
69.03087	3.8
69.03433	48.7
69.07068	38.5
70.06590	2.6
71.01369	4.7
71.04997	38.9
71.29773	2.5
73.02901	4.0
76.17069	2.2
76.61612	2.6
78.03416	2.5
79.01848	5.3
79.05489	24.8
80.33958	2.4
81.03417	40.5
81.07056	43.3
83.04982	6.0
83.08623	11.3
85.02905	50.5
85.06539	2.9
86.09706	5.5
87.00828	25.6
91.05488	25.7
93.07041	32.7
95.04964	21.3
95.08611	29.4
97.02884	33.6
97.06535	8.1
99.04447	10.1
99.08089	10.2
103.03934	10.0
103.05450	2.7
105.01862	11.8
105.03385	6.9
105.07035	32.7
106.02937	5.9
107.04979	13.5
107.08591	35.2
109.02906	24.4
109.06519	78.4
109.10156	46.6
110.06889	3.8
111.04455	7.5
111.08054	3.5
115.03931	13.2
115.05443	4.4
117.07012	11.6
119.04949	8.8
119.08575	48.9
121.06522	25.1
121.10147	24.2
123.04397	13.8
123.08053	17.7
123.11684	14.5
124.03960	6.5
125.02372	3.6
125.06002	3.6
125.09629	4.5
125.13319	5.3
127.03918	18.9
127.11208	8.3
128.06250	6.6
129.01836	12.1
129.07024	7.3
130.07816	3.5
131.08591	19.1
133.06493	5.2
133.10149	14.7
135.04387	2.3
135.08018	12.0
135.11688	16.0
137.05980	4.4
137.09656	13.9
137.13248	7.4
139.07541	2.6
139.11104	4.4
141.07057	2.8
143.03366	4.4
143.08539	10.6
145.06496	5.0
145.10141	19.5
147.02881	6.0
147.08037	14.3
147.11684	8.6
149.09625	6.4
149.13222	3.4
151.07573	5.7
151.11198	15.4
153.01840	100.0
153.02901	5.1
153.12746	10.4
155.08540	6.6
157.10162	4.2
159.02887	4.8
159.08064	7.5
159.11708	13.4
161.09634	4.7
161.13266	3.0
163.07549	4.5
163.11179	13.7
165.12735	26.6
167.07150	2.8
169.10109	3.3
171.08076	7.4
171.11710	5.1
173.09630	23.4
173.13205	4.6
175.07571	5.9
175.11166	5.1
177.12744	23.5
181.12231	3.5
182.10745	2.8
183.11667	6.4
187.11137	2.6
189.03976	6.0
189.09085	5.7
189.12772	6.9
191.10712	11.0
193.12238	11.9
195.13834	24.2
201.03958	6.1
201.12727	6.6
205.12318	3.5
207.13660	4.2
215.14285	6.7
217.12086	2.7
218.08112	8.0
219.13846	14.6
225.12833	5.6
231.04970	5.8
233.15375	8.1
237.14861	10.5
243.13809	28.0
261.14838	38.2
264.08478	4.9
279.15802	3.9
308.72028	2.9
315.17545	3.0
347.14990	5.5
365.15900	8.6
383.17078	9.3
401.13037	3.3
401.18289	12.9
401.23599	3.2
401.28583	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85431	3.0
53.03943	11.1
55.01870	9.0
55.05504	11.7
57.03434	7.8
57.07077	7.1
57.35061	3.4
61.02921	7.3
65.03946	4.4
67.05511	16.5
68.99786	12.4
69.03437	27.5
69.07080	19.9
71.04995	27.8
77.82144	3.3
79.01873	8.3
79.05505	17.3
81.03424	27.1
81.07069	43.8
83.08617	13.6
85.02911	44.4
86.09706	3.6
87.00842	23.3
91.05490	27.1
93.07048	28.1
95.04992	17.3
95.08614	17.1
97.02879	24.7
97.44730	3.3
98.22629	6.4
99.08099	6.0
103.03952	11.7
103.05440	5.2
105.01860	8.7
105.03419	4.1
105.07054	22.9
107.04949	13.1
107.08611	25.7
109.02890	28.2
109.06526	96.1
109.10191	18.4
111.04433	6.3
115.03960	7.1
115.05456	5.7
117.07018	9.7
119.04978	6.5
119.08598	26.2
121.06506	29.8
121.10152	16.3
123.04439	13.1
123.08072	13.9
123.11731	6.6
127.03941	20.4
127.11194	10.5
129.01840	5.7
129.07007	5.9
131.08574	11.3
133.06497	5.1
133.10146	8.1
135.08054	7.4
135.11702	9.0
137.05965	5.0
137.09636	17.9
137.13202	4.6
139.03896	5.3
143.03416	6.1
143.08569	6.5
145.06456	5.3
145.10139	12.9
147.02872	5.0
147.08063	8.5
147.11664	4.1
149.09665	4.4
149.13200	3.5
151.03894	6.2
151.07582	6.7
151.11208	10.4
153.01831	100.0
153.02921	7.1
153.12767	5.8
154.02179	4.2
155.08574	4.2
157.06535	4.7
159.08107	7.5
159.11693	9.9
163.03859	17.5
163.11147	9.3
165.12756	13.0
167.07074	7.0
171.02983	3.8
173.09654	15.5
175.11195	4.9
177.05508	8.6
177.09059	3.5
177.10638	3.1
177.12733	13.7
183.08072	3.7
186.23059	3.9
189.03979	6.8
189.12799	6.5
191.07133	4.2
191.10773	8.5
193.12270	11.9
195.13811	28.3
200.07005	4.5
201.12781	7.9
202.04941	7.3
205.04935	9.5
218.08145	14.8
219.13832	7.8
225.12793	4.9
229.04991	3.4
237.01248	3.4
237.14799	9.9
243.13853	15.2
261.14902	24.2
264.08478	4.0
287.09045	8.0
308.26572	3.1
383.16400	5.5
401.11862	8.4
401.16806	7.4
401.28711	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	401.1959
Annotation	Lintetralin
Peak:m/z	Relative Intensity
51.65883	1.1
56.47576	1.2
58.04763	1.2
67.05481	1.1
69.07050	1.6
69.22274	8.2
70.06587	1.1
74.98380	1.1
75.04486	1.4
88.19865	1.1
98.23380	2.6
104.36837	1.2
104.86274	1.2
106.58031	1.4
139.07677	1.4
159.08089	3.2
173.06081	1.5
173.09631	1.8
181.06454	1.1
181.08490	2.1
187.07504	1.9
189.09019	1.3
191.10562	1.9
195.08128	1.4
197.05974	3.0
197.09819	1.7
198.06654	2.0
199.07516	3.2
201.09050	1.3
202.09711	1.4
203.06979	1.7
207.07979	1.6
209.09625	1.3
211.07535	5.7
212.04747	1.8
212.08324	2.6
213.09160	2.3
214.06230	2.7
215.07021	1.5
219.08194	2.5
219.10196	3.6
220.08755	1.2
221.09612	2.6
223.07501	1.3
224.04720	2.2
224.08348	1.9
225.05508	2.2
225.09116	5.4
226.06348	2.4
226.09807	1.9
227.06999	6.5
228.07883	3.6
229.04997	1.2
229.08589	4.7
233.09689	2.9
233.11758	1.4
234.10388	2.1
235.07553	2.3
235.11272	3.5
236.08319	2.8
237.05420	1.3
237.09189	4.8
238.06256	4.6
238.09784	1.6
239.07034	4.6
239.10818	2.2
240.04057	1.9
240.07837	6.7
241.04918	3.9
241.08615	8.2
242.05783	4.0
242.09367	2.5
243.06477	11.9
244.07172	1.7
248.08296	3.3
249.09103	7.7
249.12659	1.3
250.09976	2.3
251.07143	4.0
251.10596	7.5
252.07797	3.3
252.11452	4.3
253.08621	10.0
254.05743	2.4
254.09341	2.8
255.06488	9.5
255.10130	2.3
256.07367	5.8
257.08069	10.6
258.08853	5.3
259.06128	4.8
261.09283	2.4
262.09970	2.6
263.06976	2.0
263.10706	10.8
264.07828	3.7
264.11484	6.3
265.08606	8.7
265.12134	4.4
266.09421	3.3
266.12717	1.1
267.06555	15.3
267.10199	5.7
267.13525	2.2
268.07236	3.3
268.10904	3.3
269.08185	10.8
269.11020	1.9
270.05606	2.2
270.08798	9.6
271.06119	7.0
271.09406	6.7
272.06802	5.9
272.09854	1.7
273.07602	4.0
274.08377	2.3
276.11407	2.6
277.08557	4.6
277.12183	3.4
278.09488	2.8
278.13000	3.9
279.07065	1.9
279.10184	15.2
279.13794	4.6
280.10938	10.5
281.08109	13.4
281.11636	3.5
282.08896	14.3
283.06055	7.8
283.09610	5.6
283.12839	1.7
284.06836	3.6
284.10480	4.9
285.07550	7.8
285.11249	7.8
286.08270	10.0
287.05539	3.3
287.09119	6.3
290.09418	1.8
291.10229	11.2
292.07938	1.6
292.10770	7.1
293.08109	5.4
293.11703	8.8
294.08923	3.1
294.12479	8.4
295.09665	7.2
295.13290	25.6
296.10471	15.0
296.13721	3.1
297.07599	6.6
297.11169	4.8
298.08337	9.9
298.11688	2.1
299.09119	20.5
299.12689	4.3
300.09750	4.4
301.07196	3.1
301.10733	13.2
302.07864	8.8
302.11432	4.0
303.08514	7.8
305.11826	2.9
306.12415	12.7
307.09622	9.6
307.13312	10.0
308.10388	7.7
308.14038	4.6
309.07806	2.4
309.11191	12.5
309.14886	15.8
310.12122	2.2
310.15631	6.7
311.09164	3.5
311.12817	8.3
312.09894	8.4
313.10693	31.1
313.14182	2.3
314.11349	11.1
315.08627	6.5
315.12366	3.3
316.09277	4.2
317.10229	24.2
318.10962	32.7
319.11230	2.8
321.11258	3.6
322.11951	12.5
323.12756	54.4
324.09943	1.6
324.13431	11.7
325.10590	4.6
325.14175	2.4
326.11395	3.3
326.15161	4.6
327.12317	26.2
327.15878	3.8
328.12958	14.5
329.10248	5.7
329.13629	1.9
330.11026	7.4
331.11685	9.6
332.12524	35.9
333.13184	13.6
337.14334	56.4
338.15088	36.6
339.12238	14.8
339.15921	13.6
340.12701	7.4
341.13873	2.1
341.17526	19.6
342.17899	1.4
343.11826	2.7
344.12653	4.4
345.13339	20.9
346.13864	3.7
351.16248	1.4
352.16687	2.8
353.13904	2.8
354.14621	10.4
355.15402	37.8
356.15759	3.0
357.13171	2.4
358.13919	2.4
359.14859	29.9
360.15369	2.2
369.12292	2.9
369.16983	71.8
370.17706	88.4
371.14758	5.2
371.18866	8.2
372.15533	4.0
386.17178	20.3
401.19589	100.0
402.19824	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	401.1962
Annotation	Lintetralin
Peak:m/z	Relative Intensity
55.05511	2.7
56.23029	1.7
57.07077	3.8
62.95430	1.4
67.05502	3.3
69.07085	5.3
74.17023	2.1
78.65944	1.7
81.03403	2.2
81.07072	2.4
85.02901	5.0
86.08643	1.8
95.08602	2.6
98.23405	3.2
159.08073	1.8
167.00197	2.4
167.07130	2.0
199.07468	2.0
211.07561	3.6
213.09157	3.5
214.06158	2.0
219.08173	3.2
219.10159	3.9
221.09590	2.6
223.11124	2.4
224.08289	2.2
225.05531	3.2
225.09149	2.5
226.06239	2.2
226.09851	2.6
227.07028	4.7
228.07816	3.7
229.08659	4.0
235.11221	4.8
236.08313	4.1
237.05510	3.6
237.09187	3.7
238.06241	4.0
238.09921	2.3
239.07071	5.5
240.07732	5.7
241.05081	2.8
241.08643	8.3
242.05829	4.0
242.09406	2.7
243.06569	9.3
244.07193	2.2
249.09113	7.1
251.07085	5.0
251.10631	7.3
252.07794	2.0
252.11383	3.4
253.04865	2.0
253.08583	11.0
254.05804	2.3
254.09389	3.5
255.06474	8.5
255.10229	2.4
256.07358	5.5
257.07996	8.6
258.08908	5.5
259.06079	3.7
260.06796	2.6
261.09140	2.6
262.09937	3.4
263.10754	9.6
264.08527	1.7
264.11484	8.2
265.08588	6.5
265.12265	4.0
266.09338	3.7
267.06558	10.8
267.10083	5.0
268.07397	4.7
268.10934	2.7
269.08148	9.0
269.11523	3.0
270.05426	2.5
270.08881	9.0
271.06390	3.3
271.09552	7.9
272.06857	3.6
273.07507	2.6
275.10812	2.4
276.11401	2.7
277.08804	3.5
277.12082	4.3
278.13217	5.1
279.07187	2.7
279.10233	16.4
279.13754	5.1
280.10880	14.3
281.08182	13.0
281.11374	3.5
282.08792	11.2
283.06113	5.2
283.09625	6.2
284.06909	3.7
284.10339	4.2
285.07599	9.6
285.11282	8.7
286.08420	6.6
287.05551	6.0
287.09152	5.2
288.06311	2.6
291.10104	11.5
292.10977	8.7
292.13947	1.9
293.08096	6.9
293.11722	10.6
294.12500	5.8
295.09714	6.7
295.13324	26.5
296.10443	14.4
296.13516	3.1
297.07648	6.3
297.11255	5.8
298.08432	9.3
298.11676	2.1
299.09158	15.7
299.12350	3.5
300.09882	2.4
301.07416	3.4
301.10611	13.7
302.07849	7.1
302.11078	2.7
303.08597	8.1
305.11807	5.4
306.12387	10.8
307.09613	10.4
307.13364	8.1
308.10431	11.2
308.13843	3.5
309.11261	11.1
309.14896	14.5
310.15552	5.7
311.09329	3.3
311.12747	6.9
311.16040	2.6
312.10019	15.1
312.13235	3.0
313.10675	33.5
314.11407	11.9
315.08609	4.4
315.12057	3.6
316.09439	3.6
317.10193	25.8
318.10992	27.3
321.11044	4.4
322.12000	8.4
323.12766	49.4
323.16513	3.4
324.09927	3.5
324.13510	12.5
325.10751	3.6
326.15112	4.6
327.12289	26.9
327.15790	3.5
328.12930	13.0
329.10245	4.3
330.10913	7.1
331.11713	13.2
332.12546	36.6
333.13239	14.2
337.14322	55.4
338.15030	38.3
339.12576	13.2
339.15665	13.7
340.12912	6.6
340.16644	2.5
341.17392	19.5
344.12747	3.6
345.13339	24.8
346.13892	4.4
354.14706	11.4
355.15436	40.0
359.14941	24.6
360.15305	3.2
369.16980	70.6
370.17712	87.6
371.14789	6.7
371.19046	9.3
372.15662	3.8
386.17276	16.0
401.19635	100.0
402.20038	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	401.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11037	0.5
55.05514	0.6
60.74636	0.5
61.08112	0.5
62.96629	0.5
64.79661	0.5
67.05510	1.0
68.49976	0.5
69.03434	1.0
69.07071	0.8
70.06583	0.7
70.33465	0.4
72.08153	0.6
73.02919	0.5
73.53117	0.5
79.05495	0.7
81.03434	0.9
81.07059	1.1
85.02901	1.2
85.06545	0.6
86.09682	0.9
91.05489	0.8
93.07024	1.0
95.08048	0.4
95.08598	2.0
97.02891	0.7
99.04549	0.5
105.07030	1.0
107.04961	0.6
107.08600	1.4
109.10184	0.8
119.08575	0.9
121.10141	1.3
125.02365	0.4
137.13242	0.6
147.11678	1.1
149.94147	0.4
153.01854	4.1
175.14897	0.6
177.16496	0.8
185.04256	0.9
203.17975	1.5
221.19028	2.4
228.12503	0.5
313.16202	11.7
314.16730	0.9
339.80200	0.5
401.21472	100.0
402.21729	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	401.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	88.5
57.03424	23.6
57.07084	24.5
67.05504	45.6
69.03470	20.8
69.07084	66.3
70.06602	23.1
70.89263	27.2
71.05009	31.5
72.61716	15.6
77.56499	14.8
79.05502	26.2
81.07070	100.0
83.08632	68.0
85.02926	40.4
86.09723	15.6
88.65359	14.5
91.05506	39.2
93.07066	77.9
95.08585	90.6
105.07053	43.3
107.08598	77.5
109.10177	72.9
119.08575	28.0
121.10176	41.5
123.11755	71.7
127.11219	33.5
133.10081	26.9
135.11703	91.2
137.13306	45.2
149.13277	56.0
161.13309	16.8
173.13312	24.1
203.18103	16.3
205.19510	22.7
363.20905	17.2
383.19025	15.9
401.28668	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30614	14.1
53.03921	13.9
55.05511	44.6
57.24203	12.9
61.09699	14.7
67.05499	47.0
69.03444	42.7
69.07069	50.0
69.31728	14.3
70.58635	34.8
71.04999	25.6
81.03442	20.5
81.07062	100.0
81.36234	14.5
83.08630	16.8
85.02910	39.1
86.09719	19.3
91.05500	44.5
93.07048	72.6
95.04967	16.1
95.08606	76.1
97.02905	15.4
100.83848	16.6
105.07047	44.2
107.08630	71.5
109.06508	19.9
109.10177	49.7
115.03968	16.0
119.08601	61.1
121.06523	16.4
121.10176	55.2
123.11720	48.7
125.09621	17.7
127.11208	25.5
130.09578	13.9
131.08542	24.2
133.10129	34.7
135.11676	74.7
137.13254	23.2
143.10754	21.8
143.34193	15.2
145.10107	28.5
147.11700	49.8
149.13318	21.1
159.11723	20.5
186.67728	14.9
203.18095	36.5
205.19534	22.3
218.08119	26.6
221.19150	20.1
330.28400	16.4
401.28812	44.2
402.18906	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	401.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.4
67.05505	17.5
69.07069	8.7
71.05003	10.6
76.04413	3.6
79.05486	27.3
80.01126	4.2
81.07049	27.3
82.41757	3.5
82.53490	3.5
83.08614	5.0
91.05473	47.9
91.05933	4.1
92.02768	3.7
93.07041	50.1
95.04978	9.3
95.08608	20.2
105.07031	100.0
107.08592	46.7
109.06532	67.7
109.10181	14.1
111.08115	7.5
115.05441	9.0
115.76099	3.5
117.07038	27.6
119.08588	80.9
121.10174	18.9
123.11758	4.0
128.06256	14.6
129.06985	20.3
130.07813	8.8
131.08585	65.9
133.10133	87.9
135.08047	17.9
135.11710	17.3
137.09651	4.9
141.07056	11.8
142.07805	26.6
143.08588	43.6
144.09378	6.4
145.10123	90.8
146.10440	4.8
147.08051	7.0
147.11691	18.2
149.09616	5.4
149.13303	3.5
150.58437	4.2
153.07076	4.6
155.08534	20.5
156.09291	20.8
157.10138	69.6
158.10895	14.1
159.11693	32.8
161.09628	4.7
161.13232	3.6
165.06990	5.5
167.08580	12.3
168.09363	8.4
169.10147	24.8
170.10936	12.3
171.11726	30.6
173.13292	44.4
173.14674	5.6
175.14867	9.6
179.08548	11.4
180.09251	6.7
181.10083	21.7
182.10907	7.9
183.11670	20.7
184.12436	5.1
185.13286	20.5
187.14821	35.1
193.10187	13.7
194.10950	10.7
195.11722	25.4
196.12457	5.2
197.13313	15.4
199.14754	19.0
201.12756	10.1
201.16435	5.1
206.10901	11.4
207.11723	15.8
208.12404	7.6
209.13226	27.0
210.13747	3.8
211.14790	10.7
215.14438	4.5
219.11700	5.6
221.13263	11.9
222.14008	5.0
223.14845	12.1
232.12399	4.7
235.14754	4.8
237.16393	10.1
245.13216	5.9
249.16335	4.9
251.17986	5.3
252.18854	4.5
261.16431	5.5
263.17938	6.0
265.19550	10.4
266.19965	4.7
298.00751	4.3
343.23975	4.5
383.27057	5.5
401.28421	46.6
401.38306	4.4
402.28790	5.0
402.39691	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	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.97437	0.3
57.03419	0.5
59.04987	0.6
59.56751	0.3
65.03943	2.4
69.03434	1.7
70.23444	0.7
70.23811	0.7
71.01363	0.7
71.04984	1.3
73.02954	0.4
75.04466	0.9
80.80143	0.4
83.01305	0.4
85.02910	7.7
86.09702	0.6
87.04471	1.4
92.05007	8.9
95.01334	0.4
97.02898	2.8
99.00821	2.0
99.04488	0.7
101.02400	0.4
105.03384	0.7
106.06555	1.2
107.05000	0.4
111.04443	0.8
113.02383	0.9
115.05440	1.0
116.05011	0.4
120.04474	100.0
121.04809	2.6
127.03928	0.4
129.26015	0.3
130.02895	0.5
131.03410	1.1
132.04460	4.7
133.05164	0.5
134.06029	6.7
138.05496	0.8
142.06487	0.8
144.04474	1.1
146.06024	0.5
148.03998	0.6
155.03415	0.4
162.05484	3.5
163.05946	0.4
170.06026	2.8
186.05569	0.7
192.56129	0.4
194.08150	14.5
198.05518	11.8
199.05876	0.4
212.09181	6.6
213.09459	0.3
214.05081	0.6
216.06564	1.7
217.07376	0.4
236.09172	0.4
242.04448	1.8
254.10286	1.2
260.05618	1.7
272.09201	1.2
290.10217	1.6
292.08292	0.9
309.12006	0.6
314.10223	0.4
334.09216	1.5
348.10852	0.4
384.12930	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	402.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
56.85919	0.9
57.77083	0.9
65.03938	1.2
69.03449	1.1
69.06139	6.6
69.06551	2.3
71.50402	1.0
77.03928	1.7
79.05513	1.5
89.03947	2.2
91.05481	29.4
93.07046	23.9
95.04966	6.3
103.05466	18.8
105.04513	2.8
105.07039	1.5
107.04972	3.0
115.05519	1.6
117.03381	9.4
117.07014	1.1
119.04948	29.2
120.05773	7.3
121.06508	100.0
122.06862	2.7
130.04167	1.6
131.04962	2.2
135.48421	1.0
137.05995	1.9
138.09178	1.0
145.02846	22.1
145.06454	1.9
146.03609	1.0
147.04408	21.5
148.05186	1.8
149.05978	3.9
151.07608	1.1
153.05544	1.0
157.03984	3.9
158.03677	3.0
159.04411	3.1
160.05281	1.1
161.02361	4.2
161.05991	4.3
162.03099	2.5
163.03922	1.3
163.07588	1.0
167.07082	2.0
173.05913	5.5
175.03905	66.8
176.04659	14.4
176.07063	1.4
177.05467	18.4
178.05862	1.3
181.05011	1.9
186.03134	3.3
187.03966	3.1
189.05563	0.9
191.07022	1.7
192.06606	1.3
201.05466	29.3
201.07343	1.7
202.05870	1.3
205.05019	0.9
217.04967	2.0
219.06529	73.7
220.06898	3.3
229.05054	2.0
233.04466	6.5
247.06065	2.6
265.07068	88.0
266.07388	5.5
293.17480	1.2
300.09686	0.9
356.15018	10.0
384.14957	2.1
396.81610	1.0
402.15546	50.6
403.10696	1.6
403.15787	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	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08662	0.6
53.76503	0.6
57.07083	1.7
65.03915	0.7
70.06586	1.0
71.29321	0.7
80.00014	0.5
81.86385	0.6
91.05503	0.7
110.07133	1.1
115.07639	0.7
121.02871	3.3
121.03968	0.7
149.02348	100.0
150.02696	4.8
167.03456	2.0
168.76550	0.8
201.44757	0.7
205.08600	2.8
223.09651	8.1
264.19849	0.7
286.10379	0.6
361.80872	0.6
362.24469	0.7
400.75519	0.7
416.48917	0.6
426.04105	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	402.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20605	1.0
55.11659	1.0
58.06610	3.5
68.05031	17.7
69.07088	2.5
69.70223	3.6
69.70630	1.9
70.06615	5.3
72.08151	2.9
84.04498	1.8
84.08123	2.5
86.06071	100.0
86.09711	18.4
87.06423	1.8
89.85946	1.0
120.04488	3.4
128.10738	3.1
129.10265	0.9
130.20448	1.0
147.04437	3.6
147.60396	1.1
153.01817	1.4
186.08826	1.7
198.05519	1.4
247.09267	69.6
248.09633	3.3
273.00940	1.3
402.18890	3.0
402.29022	3.9
403.15710	19.6
403.20776	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	402.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65639	0.9
55.05512	3.0
57.07100	1.8
69.03420	1.9
69.07084	5.5
69.35342	0.9
71.08633	2.8
73.20160	0.9
79.05501	4.4
81.07069	5.8
81.07471	1.0
83.08626	4.1
93.07067	1.2
95.04961	1.7
97.10179	1.8
98.22587	2.5
105.60913	0.9
107.04962	3.7
108.05746	8.9
109.06541	7.5
121.06512	8.8
123.04426	2.6
124.05258	2.0
135.08023	1.9
136.05214	22.3
137.05988	66.8
138.06776	25.9
149.06038	3.6
149.09608	4.2
150.06778	9.4
159.08047	1.7
162.06787	1.1
163.07542	5.0
177.09117	50.0
178.09482	2.1
180.45255	1.0
191.10596	2.1
192.11365	1.3
306.67200	1.0
339.31732	1.0
402.34952	100.0
403.35263	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.07077	8.6
58.06598	1.6
60.04538	0.3
60.93430	0.3
65.99810	0.3
68.05019	0.4
69.07056	0.7
69.48559	0.7
69.48942	0.7
70.06593	19.5
71.08633	3.6
72.08164	0.8
81.07055	0.4
81.56358	0.3
83.08622	0.4
85.10191	1.8
88.07631	23.6
89.07969	0.7
102.05976	0.3
102.09177	16.0
132.10225	0.8
146.11761	0.8
150.11304	0.7
206.34529	0.3
286.69150	0.3
296.33115	0.9
333.49524	0.3
340.35730	38.4
341.36060	3.7
384.38351	2.3
385.38824	0.4
402.39413	100.0
403.39746	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	403.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27300	0.8
55.01866	1.3
57.89057	0.8
68.05038	0.8
69.22099	5.6
70.06585	3.3
71.04988	1.0
72.08155	2.6
79.05495	2.3
84.04510	1.5
85.02904	1.1
86.09708	4.0
91.05502	3.4
94.06523	1.5
99.04451	3.0
106.06557	2.8
107.04961	3.9
117.05832	0.9
118.04196	1.6
118.06544	10.1
119.04959	5.9
119.07330	93.7
120.04488	1.0
120.05692	2.3
120.08117	3.2
122.06032	5.5
134.04980	1.1
134.06017	35.2
135.04430	2.6
135.06808	41.1
136.07149	1.1
137.05948	1.0
144.06662	1.1
147.04434	0.9
147.09183	1.7
150.05516	13.5
161.09319	1.0
176.07114	3.3
177.05511	1.1
179.08549	2.1
183.07999	1.6
191.08569	2.0
200.07474	1.4
207.08078	4.5
209.06107	0.9
209.09621	2.0
210.06894	2.1
211.07471	1.9
223.07561	1.0
223.13152	0.9
224.08453	0.9
225.09177	3.0
234.09268	0.9
235.07487	6.7
236.08394	1.2
237.09129	8.5
239.07054	3.0
241.08611	7.2
242.09079	1.0
244.06407	1.4
252.07626	1.2
252.10205	24.9
253.08354	4.8
253.10788	2.3
254.09129	1.8
254.11771	24.2
255.12207	1.6
256.09726	7.9
269.12863	95.1
270.11053	22.6
271.11707	1.7
279.11267	2.5
280.09631	6.5
281.08160	3.1
283.09659	2.0
293.12726	1.4
294.11096	1.0
297.12302	1.9
298.10788	15.4
300.12274	1.5
311.13956	15.6
312.12213	1.9
315.13397	57.2
316.13901	2.4
325.11591	1.7
326.10324	1.1
339.13327	4.4
340.11926	1.6
343.12845	1.1
357.14459	100.0
358.15121	7.1
361.13885	12.8
362.14349	1.5
385.13892	2.7
403.15076	30.4
403.19424	2.7
403.26358	1.9
404.15500	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	403.1603
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.66928	2.1
52.77797	2.0
53.03939	4.8
55.01869	2.9
55.05503	2.8
55.61275	2.2
59.05007	11.5
61.02933	3.2
67.05499	5.4
69.03439	10.4
71.04991	5.1
79.05489	22.5
81.03408	4.9
81.07050	6.7
83.04983	4.3
83.14238	2.2
85.02903	9.0
91.05486	9.2
93.07047	8.6
95.04977	19.4
96.08150	4.0
97.02913	2.8
98.23367	9.0
103.05477	8.9
105.04553	3.3
105.07059	3.4
107.04964	59.3
108.05282	3.9
109.02886	80.3
109.06525	7.9
121.06520	18.0
123.04442	7.7
125.02338	2.7
127.04008	2.1
131.04927	5.3
135.04437	3.0
135.08046	2.5
136.11212	4.6
137.05939	3.3
138.12782	9.2
139.03889	21.7
139.07545	5.4
145.04955	3.6
149.06004	27.1
151.03937	19.0
153.01848	2.7
153.05580	2.6
159.04405	4.3
161.40665	2.1
165.05499	68.6
167.07062	10.5
167.08437	2.0
171.06514	3.5
177.05470	72.5
178.05844	4.2
204.13838	5.2
209.06218	4.5
209.08122	46.6
276.76990	2.3
291.12302	3.7
403.15155	3.9
404.20700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64551	1.1
55.05511	3.2
67.05503	1.6
67.55128	1.1
69.07047	1.9
69.59066	5.9
81.07076	2.2
83.08654	1.4
88.07536	1.2
89.17952	1.2
91.05511	1.2
95.08675	1.2
98.23251	1.7
105.07049	1.2
148.05255	1.5
151.07527	2.4
153.07018	1.3
161.09576	1.1
167.07086	3.8
169.06525	1.8
171.08125	1.4
181.06465	2.4
181.08652	3.1
182.07213	1.4
183.04411	1.5
183.08080	1.9
184.05231	2.3
189.09143	1.4
195.08083	1.3
197.06003	4.9
198.06773	3.7
199.07597	10.9
201.08911	1.3
210.06824	2.0
211.07574	4.1
212.04727	1.3
212.08356	3.5
213.05412	3.7
213.09067	5.2
215.06985	4.1
219.10245	1.4
221.11682	1.7
222.10451	1.3
224.08635	1.2
225.05470	4.6
225.12627	1.1
226.06242	6.2
227.07036	45.9
227.10478	1.9
228.07697	8.6
229.04962	1.8
229.08641	3.0
236.08026	1.3
237.09155	1.5
239.07043	3.3
239.10745	1.8
240.07860	6.1
241.04958	2.4
241.08604	16.7
242.05731	1.1
242.09372	13.9
243.06537	12.9
243.10129	3.6
244.07306	3.5
245.08234	1.6
251.07063	1.4
253.05005	2.4
253.08517	1.9
254.05820	3.0
254.09441	1.8
255.06602	5.7
255.10194	5.4
256.07388	7.1
256.10663	1.0
257.04636	1.0
257.05673	1.3
257.08084	10.1
258.08798	7.6
259.06226	1.7
259.09659	6.8
265.12363	1.5
267.06531	2.7
267.10178	1.7
268.07330	5.2
269.08124	15.5
269.11191	1.9
270.08890	9.9
270.11731	1.7
271.06058	7.8
271.09662	27.8
272.06812	8.1
272.10263	4.4
273.07602	3.2
273.11252	11.0
279.09988	1.2
279.13852	1.5
281.08435	1.6
281.11783	4.1
282.12585	1.2
283.09659	3.4
284.10239	6.2
285.07639	4.7
285.11151	3.6
285.14786	2.1
286.08386	16.2
286.11551	1.8
287.09155	43.2
287.12244	1.4
288.09610	4.3
289.10715	2.0
293.11798	1.8
295.09894	2.0
295.13269	1.3
297.14893	3.2
298.12012	1.6
299.09091	3.7
299.12604	1.8
300.09836	2.5
301.07248	2.4
301.10706	38.6
302.11484	64.6
303.08600	3.0
303.12000	5.3
309.11322	1.6
310.12100	2.0
311.12558	1.5
313.14346	4.1
315.12323	5.3
316.09390	1.4
317.10269	2.8
318.11014	1.7
321.13248	1.7
325.10480	1.9
325.14346	33.5
326.14609	2.6
327.12305	2.1
329.13687	1.3
331.11673	6.8
333.13336	27.4
339.16046	2.1
340.16708	84.5
341.13708	6.6
341.17349	7.9
343.19098	1.6
356.16162	5.0
371.18530	48.6
372.19156	11.6
373.16357	1.5
388.18784	20.0
389.19330	1.4
403.21155	100.0
404.21606	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.05515	36.6
57.07073	12.4
65.03934	6.0
67.05509	70.7
67.91129	2.2
69.05112	7.9
69.05532	7.7
69.07072	52.3
71.04990	22.9
71.08631	7.8
79.05492	17.2
81.07060	100.0
82.07373	1.8
83.08625	42.2
85.06544	7.6
91.05485	3.5
93.07049	14.1
95.04946	2.5
95.08611	97.6
96.08966	3.2
97.06533	2.1
97.10167	35.9
107.08599	8.9
109.10159	49.9
111.11713	17.0
121.10151	16.9
123.11716	22.5
125.13290	6.3
135.11696	17.5
137.13248	11.0
143.02888	2.1
149.13277	5.2
151.14838	5.4
161.28964	1.8
163.14813	2.3
165.16408	2.4
200.92534	1.8
331.33682	14.8
332.33835	2.7
337.34695	3.4
349.34677	36.0
350.35071	3.2
367.35684	6.5
403.24573	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
57.03441	1.6
57.98799	1.4
58.99593	22.0
60.27513	1.5
67.05495	2.5
69.07062	5.2
71.28621	2.0
76.02232	100.0
76.04025	2.3
77.41929	1.4
78.88098	1.4
79.05489	9.1
80.60496	1.6
84.04498	39.0
86.06113	1.7
86.09705	2.9
86.99065	5.6
88.02240	1.6
97.02908	2.5
97.06535	86.5
98.06865	3.2
111.04476	2.1
111.86838	1.6
116.01680	24.0
117.03384	3.1
121.06537	2.5
129.03726	1.7
130.04994	23.2
139.29225	1.7
142.03246	12.7
143.03616	2.3
144.01135	10.6
144.06641	1.8
145.02855	7.8
153.05432	2.9
160.73175	1.4
162.02206	42.4
163.03894	2.3
170.02637	4.0
177.05466	16.8
179.04857	68.3
180.05055	2.1
187.05417	2.2
201.68694	1.6
215.04788	1.7
226.10788	1.7
233.05913	20.1
242.10106	3.4
245.05919	3.8
257.09503	1.9
275.10605	2.4
287.11020	4.7
290.08246	2.4
291.06531	2.8
308.09100	23.1
311.78595	1.7
333.86462	1.6
369.08261	5.0
404.15283	59.9
405.15558	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68918	3.6
67.86033	3.5
69.03419	4.4
69.25010	23.4
69.25425	7.8
79.05486	11.6
85.02919	7.1
86.09710	6.8
91.05485	8.2
98.22607	8.8
105.03398	100.0
105.07007	5.1
112.70203	4.2
119.04964	6.3
121.06532	5.7
123.04439	10.9
135.08134	4.2
137.06003	3.9
142.01767	5.9
143.08572	4.1
145.06509	4.4
147.04396	4.6
151.50858	4.1
167.07019	4.7
175.03926	8.3
179.07056	34.4
185.20540	3.7
197.08139	15.9
207.06552	16.9
207.13803	5.6
225.07520	6.1
360.08588	4.9
403.44019	4.4
404.08472	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79617	2.1
57.03448	3.1
70.40648	6.2
75.04466	3.2
75.39893	2.3
85.02908	6.1
88.04591	2.3
91.05489	100.0
92.04037	2.1
95.01296	2.2
97.24963	1.9
99.00846	2.2
105.03397	45.6
113.02337	2.1
137.06001	6.0
141.01813	4.8
179.07048	12.2
193.08611	42.0
197.08116	9.4
200.05124	2.1
211.09618	14.5
219.16489	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	404.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	16.8
71.95258	2.7
83.02254	0.8
94.04166	1.5
94.08125	1.0
95.08646	0.9
96.98387	1.2
98.78643	0.9
98.97585	82.9
116.98623	60.1
122.03659	4.3
134.56334	1.0
134.98627	1.5
134.99658	29.9
137.05975	44.8
138.06322	1.0
140.00208	3.6
153.00720	3.6
158.01302	2.6
179.00104	1.9
197.01263	2.8
208.10138	1.0
220.00540	2.7
224.09691	1.9
226.11136	16.4
227.11522	1.2
235.02768	63.9
236.03201	1.9
238.01553	2.5
244.12186	8.3
253.03853	100.0
254.04185	4.8
262.42111	0.9
268.12256	5.4
271.04892	6.2
276.05453	8.0
280.12238	2.2
286.13467	1.4
329.13214	1.2
344.15271	6.9
345.15390	1.1
362.16293	2.2
404.17456	68.4
405.17871	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	404.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38789	0.8
53.03949	1.2
71.34268	1.1
72.08125	1.0
75.96403	1.0
80.83174	0.7
86.09682	0.9
91.05452	4.1
93.07055	5.0
95.04963	1.4
97.02888	2.4
103.05483	4.5
110.06047	2.7
117.05511	1.0
121.06506	100.0
122.06841	4.1
138.09131	26.1
139.09531	0.9
163.04030	1.4
170.93028	0.9
187.14430	1.4
190.08209	1.1
199.13872	0.8
249.04669	0.8
267.05270	1.2
272.11325	1.3
402.98340	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	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
70.06593	1.7
70.48506	1.9
72.41599	1.5
74.06068	1.5
75.25709	1.5
84.04458	1.7
86.09694	3.6
86.25896	1.2
91.05486	3.6
92.15840	1.3
93.07025	4.1
97.02919	1.8
103.05473	4.5
121.06516	100.0
122.06828	3.2
135.04410	3.0
138.09152	24.0
143.03333	1.8
145.02875	2.7
153.01863	1.6
163.03918	7.1
167.03322	1.3
177.05487	5.5
187.14383	2.9
236.55452	1.5
293.72440	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	404.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07162	1.2
57.42363	1.2
57.99140	1.1
69.38660	5.6
84.10005	1.2
91.05493	3.1
93.13376	1.1
98.22635	2.4
107.04960	6.0
108.05754	2.9
121.06535	4.5
135.04468	1.7
136.05199	2.6
137.05963	2.6
140.04167	1.1
146.07257	4.0
147.04393	1.5
149.06027	3.5
151.07547	100.0
152.07924	3.9
177.09135	6.5
179.07076	2.2
191.07112	2.1
221.95758	1.3
268.61417	1.5
278.13104	1.5
288.11594	2.2
298.64328	1.3
305.11765	1.7
309.14828	2.1
319.13104	7.5
320.14212	2.3
337.14316	4.4
351.16061	5.2
369.16965	11.1
374.09558	3.0
387.18079	4.8
404.14313	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	404.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01873	0.5
55.05519	0.9
57.07071	0.3
67.05508	1.1
69.03437	3.8
71.04975	0.4
71.28163	0.3
79.05500	1.3
80.05013	0.6
81.03423	0.4
81.07062	1.4
82.06568	0.5
83.01357	0.7
83.04977	0.3
83.08613	0.3
91.05480	2.8
93.07056	1.2
94.06573	0.6
95.04976	0.6
95.07359	0.4
98.09711	0.4
99.04456	0.9
100.11264	1.4
103.98663	0.3
105.07028	1.9
106.06565	2.4
107.04961	0.7
107.08606	1.3
108.08121	0.7
109.06546	0.7
109.10160	0.4
111.04446	0.3
111.08058	0.5
112.07614	0.7
115.05454	0.3
117.07044	0.8
118.06538	0.5
119.04984	0.3
119.07348	0.5
119.08585	1.0
120.08117	5.1
121.06531	1.2
121.08839	0.4
122.09738	0.4
123.08092	0.4
124.11196	0.3
126.09115	0.4
127.03947	0.8
128.06258	0.5
128.10757	0.7
129.07016	0.9
131.08559	0.8
133.06442	0.7
133.10162	0.4
134.09689	0.7
135.08067	0.7
136.11240	3.3
137.06015	0.5
137.09608	0.4
140.10698	0.4
141.05551	0.3
141.06993	0.4
142.07813	0.3
143.08592	0.5
145.06522	0.9
147.08067	0.7
148.07582	0.8
148.11166	0.5
151.07576	0.6
152.10764	0.3
153.05496	0.5
154.12274	3.0
155.03427	1.2
155.07039	0.7
159.08075	0.7
161.06007	0.4
161.08391	0.3
161.09615	0.5
162.09171	0.5
162.12791	13.0
163.07555	0.5
163.11200	0.4
163.13330	0.6
164.14375	0.3
165.05522	0.8
167.07059	1.0
169.10179	0.5
173.09718	0.5
174.12820	0.5
175.07605	0.4
176.10741	1.1
176.14380	0.8
177.09148	0.5
179.07051	0.5
179.08565	0.3
181.05113	0.3
182.15395	0.4
183.06554	0.7
185.09706	0.5
187.07574	0.4
187.11172	0.5
189.09128	0.3
190.12276	1.2
191.12988	0.4
195.06532	0.6
197.09616	0.6
198.10518	0.3
204.13850	11.5
205.08650	0.5
205.14333	0.6
206.09517	0.3
207.06573	0.4
207.17465	0.5
210.14948	0.9
215.10754	0.8
217.08513	0.4
221.08034	0.7
232.16975	2.5
233.08104	0.7
239.14059	0.3
243.10176	2.0
257.11856	0.7
261.11111	0.5
263.09134	0.6
273.11249	0.9
275.12778	8.2
276.13095	0.7
297.70718	0.3
328.19101	0.7
372.17862	0.4
404.20691	100.0
405.21027	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	404.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50681	0.5
55.05495	0.7
57.07075	0.6
67.05509	3.3
69.03439	4.0
69.07088	0.5
70.55605	0.5
71.04978	0.6
71.29443	0.9
75.14835	0.5
79.05502	1.5
81.03403	0.6
81.07059	1.5
82.06611	0.7
83.04993	0.6
83.69266	0.6
85.02917	1.4
85.06544	1.6
86.09698	0.6
89.38306	0.5
91.05479	3.5
93.07038	1.7
95.05006	1.6
95.08608	8.9
96.08144	4.0
96.62398	0.6
97.02909	0.8
99.08098	0.6
100.11218	0.7
103.05480	0.9
105.07035	1.4
107.04954	1.1
107.08614	1.3
111.29846	0.6
113.05992	1.6
117.07027	1.0
119.08603	2.5
120.08115	0.8
121.06489	3.2
123.04414	1.0
123.08077	1.1
125.06028	0.6
127.07544	3.1
129.06966	0.6
136.11249	1.6
137.06012	0.5
138.12781	8.0
139.03940	0.9
143.08479	0.7
145.06519	0.8
145.10100	0.6
147.08081	0.7
147.11639	0.7
151.07622	0.7
153.01833	1.0
157.06592	0.6
161.13240	2.0
163.11201	1.7
167.07088	2.9
173.06062	0.6
175.07582	0.7
176.14371	2.1
177.09160	0.7
181.05037	0.6
185.05931	0.5
185.09674	1.0
193.05051	1.0
204.13881	3.6
207.06416	0.7
207.13809	4.7
215.16254	0.5
217.12450	0.6
219.06592	0.6
225.14894	2.2
227.05226	1.9
257.09335	0.6
271.04242	3.8
283.09567	0.8
289.10675	0.7
291.12234	4.2
318.09485	2.2
342.09451	0.6
360.10504	9.5
361.11136	1.1
386.19705	1.8
404.09573	28.4
404.20688	100.0
405.09702	3.1
405.21082	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	404.2074
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
50.41223	0.4
53.03958	0.5
55.01873	0.8
60.04542	0.4
65.03943	0.5
67.05508	1.8
69.03438	3.8
69.07091	0.4
69.62981	1.6
71.05006	0.9
77.61872	0.4
79.05495	1.2
80.05030	0.9
81.03436	0.4
81.07065	1.3
82.06609	0.6
83.01355	0.8
83.07355	0.4
84.08195	0.5
85.02916	0.7
86.09700	0.8
91.05488	4.4
93.07065	2.1
94.06563	0.9
95.04991	1.7
95.08571	0.4
96.08122	2.1
99.04465	0.9
100.11266	0.9
105.07035	1.7
106.06583	1.1
107.04961	1.2
107.08607	1.1
109.06547	1.0
115.05508	0.6
117.07035	1.0
119.04968	0.8
119.08571	1.2
120.08104	0.9
121.06537	2.1
121.10123	0.6
123.08056	0.7
124.11210	0.9
127.03951	1.1
128.06212	0.4
128.10721	1.0
129.07010	0.9
131.08575	0.8
133.06503	0.9
134.09612	0.5
135.04405	0.4
135.08044	0.5
136.05276	0.4
136.11243	1.6
137.06013	0.6
137.09602	1.0
138.12773	4.8
141.05431	0.7
141.07037	0.5
142.07808	0.5
143.08578	0.7
145.06480	1.1
145.10098	0.8
147.08101	0.6
149.06035	0.4
152.10765	0.7
154.12286	2.0
155.03406	1.2
155.07092	0.9
155.08481	0.6
162.12787	1.2
163.11208	1.0
165.05515	1.2
165.12769	2.1
167.07065	1.1
168.68665	0.4
171.07991	0.8
173.06035	0.6
173.09662	0.9
174.12860	0.9
175.07501	0.4
176.14343	1.2
177.05469	0.7
183.06551	0.9
183.08093	0.6
185.09633	0.6
187.07663	0.5
188.10686	0.8
189.12773	0.5
191.07114	0.6
200.14474	0.4
202.12270	0.9
203.07018	0.4
204.13821	2.5
205.08716	0.5
205.14664	0.4
207.13869	1.5
213.09134	1.2
220.13345	3.7
224.08333	0.4
247.09796	0.6
258.14944	0.7
259.09799	1.1
261.11224	1.3
273.11319	1.7
275.12704	0.7
291.12338	1.6
345.10745	0.4
386.19589	1.1
389.18631	0.4
404.20700	100.0
405.20978	8.5
405.25912	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
55.01874	1.8
55.05503	2.7
57.03438	1.5
57.07063	3.5
65.03928	5.3
66.52348	2.0
67.05502	2.6
69.03426	6.2
69.07056	2.1
71.04974	2.2
71.30604	2.3
73.18368	1.5
78.04722	4.7
79.01851	2.1
79.05500	8.8
81.03426	11.8
81.07066	4.1
83.04984	12.7
84.82594	1.5
85.02914	10.8
91.05487	97.4
93.07043	9.7
95.04968	5.7
95.08607	2.8
97.02908	3.4
97.06535	7.4
103.05484	11.6
105.07042	12.6
106.04173	2.4
107.04964	9.3
107.08607	6.1
109.02877	4.8
109.06534	2.8
109.10154	1.9
115.05442	4.4
117.03388	3.7
117.07002	3.1
119.04959	6.3
119.08598	6.2
120.05759	2.6
121.06521	23.2
121.10151	4.8
122.48728	1.6
123.04481	8.5
123.08076	11.5
124.05228	3.2
125.02400	1.7
125.05991	29.2
127.03899	3.1
129.06982	2.1
131.04933	13.6
131.08612	3.4
133.06511	7.8
135.11676	2.6
137.05998	6.0
139.07565	2.0
141.06979	3.2
143.03394	2.9
143.10689	2.1
144.68027	1.8
145.02850	6.8
145.06462	3.5
145.10129	7.1
147.04442	5.3
147.08090	1.7
149.05984	3.7
149.09618	2.0
151.03931	4.7
151.07562	21.2
152.04680	3.9
153.01839	38.0
153.02931	2.8
153.05446	2.2
160.05232	3.0
161.05966	9.0
161.13290	1.6
163.07562	15.2
163.11191	82.8
164.11560	6.0
165.05540	1.8
167.07047	100.0
169.08630	1.7
173.06056	2.7
174.03070	1.9
175.03925	5.9
175.07520	1.7
176.04686	2.6
177.05476	6.0
177.09146	3.3
179.07079	1.9
181.04958	5.2
181.08612	5.2
181.12267	12.6
187.07526	2.3
189.09190	1.8
189.12785	6.3
193.08627	16.0
197.05971	4.6
201.05447	13.7
203.07120	3.0
205.08667	3.0
207.13799	5.4
213.05597	1.9
219.06628	2.8
225.05586	3.2
225.14867	86.3
226.15233	4.8
231.06595	3.1
243.06482	8.0
249.07571	10.1
297.06091	6.8
323.12802	2.8
386.16028	6.1
404.16336	2.0
404.20847	7.0
405.15109	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83696	3.5
52.88331	3.7
55.05505	7.1
67.05525	5.1
69.03430	7.9
69.07075	10.7
71.30020	6.4
78.84023	4.4
79.05507	24.9
81.03400	3.8
81.07059	21.5
82.84503	3.7
83.04998	4.6
84.08182	3.9
85.02927	12.0
89.42221	3.4
90.88329	4.4
91.05494	17.8
93.07050	82.9
94.07375	4.4
95.08613	12.6
97.02895	6.4
97.06539	100.0
97.91160	3.8
98.10855	3.9
99.04441	7.5
99.08121	11.9
100.11251	5.6
105.07037	36.1
107.08599	82.5
109.02889	4.4
109.06548	26.3
110.07185	18.3
111.08086	12.5
117.07039	7.8
119.08589	23.2
121.06532	18.0
121.10211	7.8
123.08071	5.0
127.03972	7.1
131.08578	7.0
135.08061	46.5
141.46823	3.5
145.04993	5.1
145.10158	4.7
147.08015	4.5
147.11682	40.1
153.09145	15.5
156.07701	9.2
156.09351	4.7
161.13303	10.7
161.69081	4.0
165.12750	31.3
168.88179	4.0
170.34676	4.0
171.11691	8.9
179.14264	5.8
189.12715	28.1
207.13817	93.0
225.14862	63.8
226.15164	4.4
230.53943	4.1
310.00333	3.6
330.84619	4.7
350.70712	3.6
351.18045	5.2
369.19400	5.0
398.65942	4.4
404.21417	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03769	6.7
58.03006	6.3
67.37054	5.6
68.70271	7.2
69.32673	30.2
81.07041	7.1
85.02909	9.7
86.09732	20.2
91.05453	6.9
91.63548	6.4
93.07044	7.4
105.07036	10.7
116.05226	7.9
119.08595	10.3
121.06556	7.4
123.11696	6.5
131.08578	7.0
144.63019	5.8
145.10184	6.9
147.11703	12.9
149.09644	50.1
149.10646	9.6
167.07050	12.6
177.05473	7.9
189.12798	55.1
193.08667	7.5
331.17731	7.1
404.20523	21.6
405.17328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70317	4.5
62.07606	4.5
70.06605	5.6
75.69806	4.2
85.02894	9.1
86.09716	16.2
91.05496	4.9
92.05558	4.3
98.92244	4.6
103.94097	4.3
119.08603	9.1
123.11721	5.7
145.10155	8.0
147.11726	9.4
149.09564	22.4
167.07112	11.1
189.12708	43.0
207.13951	6.3
229.20642	6.1
335.35004	5.5
405.17331	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.05511	1.6
57.07084	1.9
58.57280	1.3
59.04976	1.4
61.71796	1.3
67.05502	4.9
69.03425	5.1
69.07070	1.4
79.05491	3.6
81.03422	3.6
81.07067	4.7
83.04981	14.2
85.02915	12.6
91.05492	6.6
91.14515	1.3
91.24848	1.2
93.07047	5.8
95.04966	4.5
95.08596	3.0
96.08153	1.6
97.02899	4.3
97.06527	6.3
98.09657	1.3
99.04454	1.9
105.06999	6.3
107.08575	4.6
109.02879	1.4
109.06535	3.0
117.07018	1.8
119.08572	7.3
121.06501	4.4
121.10146	8.1
123.08072	12.9
124.08421	1.4
125.05996	34.8
126.06299	1.8
127.03904	3.8
131.08553	5.9
133.10158	3.1
135.11722	4.0
136.11218	1.8
137.06053	1.6
138.12790	2.8
139.07555	2.6
143.08612	1.5
145.10155	6.6
147.08046	3.9
149.09586	2.0
151.07556	19.8
155.00899	1.3
160.32860	1.5
161.13187	2.3
163.11188	97.5
164.11513	4.6
167.06958	1.4
171.11702	2.9
181.12265	11.5
189.12755	11.4
207.13779	12.9
225.14854	100.0
226.15208	5.7
239.08145	2.3
245.12891	2.2
253.09793	2.5
275.12787	1.4
281.09384	2.0
309.08646	1.5
327.09781	4.1
345.10788	5.5
360.16608	3.2
373.10406	2.9
386.19580	2.9
387.19998	3.1
389.53998	1.3
404.20676	54.3
405.20990	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	31.7
69.07097	17.4
69.27893	100.0
70.06588	14.4
73.97144	13.4
79.05461	15.1
81.07072	33.1
93.07014	17.5
95.08643	14.3
98.22614	28.0
109.06526	14.5
119.08571	19.0
133.10147	22.0
137.80385	15.0
179.14406	17.5
217.98245	14.3
257.71597	15.5
277.21667	28.6
351.25446	18.7
369.26453	19.6
405.30020	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.155
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
51.40146	1.7
53.03952	4.2
53.28067	1.6
55.01873	3.3
60.82576	1.6
63.72131	1.5
65.03937	6.8
67.05504	4.0
70.89120	3.3
75.04475	5.8
77.03925	1.9
78.04699	7.3
79.05491	6.5
81.03438	2.2
85.02915	4.7
89.06037	1.6
91.05489	27.3
93.03419	17.7
93.07046	8.4
95.05000	9.1
97.06542	4.5
103.05492	11.2
105.04510	2.0
105.07027	2.7
106.04187	46.4
107.04968	4.5
109.06535	2.9
111.04435	2.2
117.03350	2.6
118.04192	1.8
119.04968	11.1
121.06513	48.8
122.03685	2.1
123.04406	1.7
123.08053	2.2
124.05214	1.8
124.26755	1.6
125.06014	14.6
131.04938	2.8
133.02838	2.5
133.06488	2.4
134.03625	7.2
135.04449	2.6
137.05981	18.4
138.06783	2.9
139.07549	4.0
145.02895	1.9
147.04407	15.5
148.05203	2.2
149.06000	66.4
150.06528	2.4
151.03925	33.0
151.05022	2.3
151.07588	3.7
153.05466	5.1
153.09109	21.2
161.05981	2.9
163.03894	2.9
163.07544	4.9
165.05411	2.4
165.09097	1.5
167.07051	7.6
177.05482	40.6
177.07037	2.5
178.06140	3.7
179.07045	6.3
180.07837	1.6
181.04984	5.8
181.08607	39.5
182.09216	2.5
191.07056	3.1
195.06551	3.6
196.07484	3.1
205.08665	3.7
209.08107	100.0
210.08545	5.8
251.04207	1.5
378.78140	1.7
387.14377	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	405.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04529	1.0
70.06586	4.8
71.29153	0.6
71.29539	0.8
72.08142	1.8
84.04488	2.7
84.08151	1.5
85.02914	1.7
86.09705	1.4
97.02840	0.6
97.67680	0.5
124.03715	2.1
127.03902	1.2
129.10249	0.6
132.10194	0.7
138.05251	9.9
141.80103	0.5
152.03221	2.4
193.05862	7.2
194.04234	2.9
211.06894	40.9
212.05179	0.5
212.07394	0.8
227.43456	0.7
235.10509	8.4
248.10097	0.6
249.08641	0.9
289.03424	1.0
291.09525	2.7
296.88608	0.7
308.12149	32.3
309.12561	2.2
341.02545	0.6
346.13702	0.7
358.74243	0.6
377.17957	1.1
387.03497	0.8
388.14716	3.8
395.97858	0.6
405.17456	100.0
406.17728	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	406.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09665	0.9
69.03423	1.1
70.11396	1.7
70.11752	2.1
95.01885	0.7
115.62537	0.8
123.04369	1.2
123.08051	1.0
141.95470	0.7
153.93111	0.8
198.05264	9.8
199.05663	1.0
209.08150	0.8
213.86684	0.8
244.05815	80.9
245.06189	3.6
250.32010	0.8
406.11072	100.0
407.11606	7.3
422.23666	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	406.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.7
51.02391	1.6
53.03947	6.3
55.01862	2.9
57.03428	0.8
65.03951	1.4
69.03084	1.1
69.03435	14.4
71.01332	0.7
71.04990	1.7
73.02920	0.9
78.03455	18.4
79.05495	2.6
80.05016	3.1
80.17350	0.8
80.44559	0.6
81.03422	34.3
82.03743	1.1
85.02915	7.1
89.31985	0.6
91.05479	3.9
92.05850	1.0
93.07037	0.8
95.04950	1.4
96.04523	3.7
97.02898	8.9
99.04456	4.2
103.05476	2.9
105.03417	1.2
105.07057	3.2
106.02921	64.6
107.03249	1.0
107.04955	7.8
109.02882	20.9
109.06486	0.9
115.05455	1.1
118.04176	1.2
119.04936	1.1
121.02858	2.6
121.06511	2.1
123.04420	1.6
124.03959	100.0
125.04273	2.5
125.06013	1.0
127.03911	8.3
131.04918	1.4
133.02824	1.6
133.06503	3.0
135.08076	1.9
137.05978	7.0
138.06657	0.7
139.03886	1.6
147.04460	1.1
149.05984	1.6
150.06720	1.1
151.03926	1.6
151.07549	1.0
153.01674	0.8
153.05476	2.4
155.07031	1.8
159.04320	0.6
161.06041	3.1
161.09650	1.0
163.07536	10.1
165.05482	3.0
165.09138	1.3
166.06268	1.3
167.07077	3.3
168.07463	1.3
175.07471	0.7
177.05447	1.6
180.07829	1.9
180.45757	0.7
181.04962	12.0
181.06464	1.0
181.08598	4.5
189.09146	2.0
193.04974	2.3
193.08620	3.6
197.08205	1.1
207.06511	2.5
207.10059	1.1
208.07343	5.4
211.09682	6.2
225.07614	5.3
226.08507	3.8
234.08408	1.2
250.07111	38.3
251.07520	1.8
268.08176	29.8
269.05695	1.4
269.08499	1.8
346.10934	1.4
388.14554	0.8
406.22385	0.8
407.07785	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	406.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29882	1.3
53.03947	9.2
55.01873	10.8
57.03430	7.4
60.04530	3.1
61.02922	5.5
68.99783	3.6
69.03432	28.5
69.52326	7.1
70.06584	2.2
71.04991	3.9
73.02922	9.4
81.03421	31.2
84.04527	2.8
85.02908	100.0
86.03253	1.8
87.00838	35.4
97.02896	36.8
99.04468	16.2
103.03970	3.9
105.01865	28.8
105.07035	4.3
108.04460	10.8
109.02875	35.0
111.04485	1.6
111.30381	1.5
116.07111	2.2
116.39249	1.6
117.01864	1.8
126.05515	6.2
127.03917	71.5
128.04262	2.6
129.01845	7.6
130.06541	3.2
133.02823	3.3
137.05948	2.0
141.05511	2.9
145.04967	40.4
147.02905	6.2
147.04373	2.8
159.01669	2.2
159.02914	24.3
159.04214	2.5
165.05460	13.6
171.02977	1.7
177.03989	1.7
177.05437	3.0
183.06538	1.6
189.02295	1.5
189.03976	8.7
203.06953	2.8
207.06509	11.1
213.03986	2.7
230.06554	2.4
231.04681	11.5
231.06874	3.5
244.05783	2.7
248.07671	4.0
249.07787	9.4
313.12772	1.6
337.28842	1.8
388.03418	2.4
406.10907	2.8
406.15744	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	406.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
56.73000	0.3
57.03450	0.6
61.02939	0.3
69.03382	0.7
69.03679	2.4
74.77485	0.3
80.72027	0.3
81.03410	0.6
85.02908	2.8
86.09712	3.2
87.04492	0.3
93.05785	0.7
94.06573	16.2
95.04960	0.7
95.06910	0.4
97.02888	1.0
98.23418	0.6
99.04503	0.3
118.06460	0.3
120.08121	1.1
122.06036	100.0
123.06377	3.5
123.79041	0.3
124.07581	0.6
127.03983	0.4
134.06033	1.3
146.06061	0.4
162.05589	0.3
164.07051	0.6
176.07121	0.3
180.10214	0.6
199.18062	0.8
227.17632	0.4
231.34821	0.3
239.23935	0.3
245.07895	1.4
284.11292	17.3
285.11658	1.3
319.06711	0.3
371.95749	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	406.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	3.9
69.67516	8.9
69.72619	1.4
81.03448	1.7
85.02919	13.5
91.05496	3.8
93.07049	2.7
97.02899	2.7
97.72675	2.0
101.97771	1.6
103.05493	3.9
107.04973	2.5
121.06522	11.0
123.04430	3.0
127.03950	2.4
131.04947	5.9
133.02809	1.8
137.05986	6.9
140.04733	1.8
145.02829	1.6
145.05028	2.8
148.02594	1.6
148.05145	2.0
148.95421	1.6
149.06003	15.2
155.07039	2.5
159.04430	4.9
167.07048	100.0
168.07352	2.4
177.05482	38.8
180.08684	1.9
191.06923	2.4
209.08096	28.4
227.09154	83.8
228.09473	3.3
244.05948	11.0
324.23575	1.7
406.11014	15.3
406.15411	1.9
407.08420	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.5
55.05508	3.8
56.05014	4.6
57.03442	3.9
57.95420	3.2
58.99584	9.9
67.05511	14.9
69.03434	6.2
71.04991	14.7
71.32600	7.2
76.02221	23.1
79.05505	18.1
81.07056	15.0
84.04498	19.5
85.02901	15.2
85.06544	69.1
86.00642	6.1
91.05478	9.3
93.07043	9.9
95.08626	7.7
97.02882	4.4
97.06551	4.4
98.09716	4.0
99.08079	10.4
105.07028	10.7
105.82048	3.1
107.04992	7.2
107.08588	15.5
111.04423	6.9
112.51913	3.2
113.04250	6.1
116.01678	18.5
119.08560	12.3
121.06522	10.2
121.10143	12.4
123.04327	3.7
125.05983	6.9
130.06847	4.3
131.08568	52.4
133.10185	3.9
135.11760	4.6
136.94788	3.5
137.09604	6.4
139.83440	3.0
144.01149	9.9
145.10150	21.9
147.08012	5.1
149.09637	40.4
156.08438	10.6
156.10251	7.5
157.06900	4.3
162.02223	12.0
163.11220	17.3
165.09041	7.2
167.10663	21.9
173.09581	5.1
174.09550	4.8
179.04855	5.6
188.79895	3.7
191.10674	53.7
209.11748	69.5
216.06992	4.2
227.12764	100.0
259.11127	41.7
307.66800	3.5
331.13065	6.1
378.04449	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	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37529	0.3
53.03936	1.1
53.46569	0.4
58.62632	0.4
59.13486	0.4
60.40661	0.4
70.20792	1.0
91.05494	2.9
93.07046	5.8
95.04940	0.9
97.30771	0.4
103.05478	3.6
105.04521	0.4
108.17731	0.5
116.13192	0.4
118.66068	0.4
121.06506	100.0
122.06826	3.4
131.49318	0.4
138.09137	28.8
139.09435	0.7
260.07767	0.4
358.90945	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	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78017	0.6
53.03945	1.6
55.01846	1.0
55.05510	1.9
55.84587	0.6
57.03426	1.1
57.07084	1.2
59.05001	1.1
61.02918	1.2
65.03973	0.9
67.05500	2.1
67.12211	0.6
69.03424	2.7
69.07084	1.5
69.91650	2.6
71.04987	1.0
73.02905	0.9
74.06065	1.5
75.04479	0.9
77.88534	0.6
79.05494	10.4
81.03410	1.5
81.06638	1.1
81.07065	9.8
85.02912	8.3
91.05481	11.4
92.07127	2.8
93.07047	52.3
94.07376	1.2
95.04967	2.2
95.08605	4.6
97.02869	4.1
97.06521	1.9
98.17305	0.7
98.23227	0.9
103.05510	1.1
105.04509	1.1
105.07043	10.6
107.04971	1.1
107.08592	22.2
109.06525	1.4
109.10143	0.9
111.04449	3.0
111.08105	1.7
119.08566	2.0
121.06547	1.6
121.10147	100.0
122.10435	3.4
123.08088	2.2
123.11711	6.1
125.05993	2.4
127.03904	2.2
131.08578	4.8
133.07668	1.2
139.11174	14.1
140.11540	1.0
145.04939	1.6
147.04391	1.4
149.09616	14.9
150.10017	1.0
167.10675	20.1
168.11079	1.1
177.05463	0.7
180.08698	1.1
181.12233	1.8
209.11749	6.2
227.12764	11.8
227.14848	1.1
257.59946	0.8
261.32101	0.8
309.46445	0.7
309.50183	0.7
313.07349	0.9
370.29578	1.1
406.23172	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01875	0.7
55.05511	1.1
57.03435	2.0
59.05005	1.1
61.02919	1.7
66.10545	0.8
67.05502	2.9
69.03436	3.7
69.31102	4.5
74.06078	1.0
79.05495	10.2
81.03420	1.7
81.07059	10.6
85.02906	9.9
87.04446	0.9
91.05480	11.4
92.07113	1.1
93.07049	53.9
95.04975	1.9
95.08604	3.4
97.02905	2.9
97.06534	2.3
104.86790	0.7
105.07032	9.8
107.04989	1.2
107.08600	21.9
108.08973	0.8
109.06519	2.0
109.47083	0.8
111.04434	2.2
111.08073	3.0
116.06257	1.0
119.08586	1.5
121.06525	2.4
121.10147	100.0
122.10515	4.1
123.08064	1.6
123.11707	6.3
125.05993	2.6
127.03908	2.4
131.08591	5.8
133.07607	1.5
139.11183	14.6
145.04933	2.0
149.09619	16.2
163.11169	0.8
167.10703	21.6
170.68808	0.6
180.08690	1.2
181.12256	2.4
191.10556	0.7
209.11705	7.1
221.50125	0.8
227.12788	14.5
228.13092	1.7
238.48216	0.7
251.52580	0.7
370.29633	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20707	4.3
58.02743	4.1
58.72747	4.0
65.45826	4.9
67.05492	8.4
69.12225	28.8
69.12637	11.3
71.04995	7.8
79.05472	12.1
79.37750	4.3
81.03445	10.5
81.07041	5.8
84.12247	4.7
85.02898	13.9
86.07462	4.7
91.05469	8.5
93.07044	23.9
98.22641	11.6
99.04448	20.3
105.07047	55.5
107.08604	63.0
119.08630	12.1
121.06503	13.9
121.10119	25.9
131.08604	6.3
135.11711	9.9
145.10130	41.6
149.09645	6.9
163.11198	100.0
167.78856	4.5
173.09683	6.8
181.12265	29.9
191.10666	73.0
199.15649	5.9
209.11734	39.4
227.12759	41.6
228.13094	7.7
275.05408	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	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53838	0.8
51.59533	0.7
53.03938	0.9
57.03433	1.6
61.02916	1.4
69.03423	2.8
69.08820	2.9
69.09223	1.9
73.25419	0.7
78.95764	0.7
79.05499	0.7
81.03426	1.5
81.07046	0.8
84.04520	0.9
85.02917	7.6
86.09687	1.2
91.05505	1.8
96.00399	0.6
97.02917	3.2
107.04957	1.7
108.91322	0.6
109.06528	0.7
121.06496	2.4
121.27723	0.8
131.05095	0.6
133.02855	1.3
135.08035	1.0
136.05179	1.8
137.05998	1.6
138.06783	1.2
139.07565	0.8
145.04971	1.4
146.07281	0.6
147.04407	2.4
147.08098	3.4
148.05186	4.6
149.05986	1.5
149.09647	1.1
151.07550	4.0
153.05525	1.6
162.06740	2.1
163.07552	6.0
165.05518	1.9
166.06273	10.3
168.07826	7.0
177.09122	3.7
178.09894	28.5
179.07057	4.9
179.10605	3.8
181.08601	91.3
182.08942	3.6
194.09413	14.4
195.10161	3.2
209.11746	38.8
210.12004	2.2
212.10411	1.8
227.12787	100.0
228.13129	5.1
248.21046	0.7
259.11151	1.1
306.33154	0.8
354.85443	0.7
406.17389	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
55.05511	9.5
56.05059	4.0
57.03423	2.5
57.07074	8.2
58.26701	1.8
59.05000	2.1
60.60331	1.7
65.03954	1.8
67.05506	6.9
69.03450	4.4
69.07069	9.5
69.46152	6.7
69.46570	4.5
70.06584	3.1
76.02268	2.0
77.03985	2.0
79.05506	19.3
81.07062	65.4
83.04989	40.1
83.08608	10.4
84.04504	5.4
84.08150	6.3
85.02903	9.1
85.06538	2.6
86.09702	9.3
91.05489	19.4
92.05826	5.4
93.07048	21.4
95.04977	3.1
95.08622	8.8
97.02901	4.7
97.06552	10.1
97.10159	2.3
98.09746	2.3
99.08105	2.4
104.05373	3.1
105.07036	6.7
107.08599	40.9
107.78151	2.0
109.06520	67.4
109.10172	15.1
110.06873	2.2
111.08092	5.0
116.01665	3.9
119.08566	3.9
120.08107	5.3
121.02886	9.1
121.10146	66.9
122.10467	2.3
123.08079	5.7
123.11707	10.5
125.09633	17.2
127.03946	3.5
129.10248	5.5
131.08592	2.8
133.10170	11.2
135.08084	11.1
135.11713	6.3
137.06009	3.1
137.13258	9.0
139.07570	1.8
139.11180	2.4
145.10158	2.4
147.07765	3.4
149.13266	18.4
151.11180	3.7
153.09120	18.0
156.08501	2.4
157.06815	2.3
162.02223	2.6
162.07663	5.0
163.14825	42.2
164.15198	4.2
167.14322	12.8
172.11620	4.4
173.13290	7.0
179.04974	2.1
181.15869	18.7
182.30721	2.7
191.14319	16.2
193.08658	5.1
194.09012	3.6
195.09146	3.0
209.15392	100.0
210.15703	5.2
217.13737	5.4
227.16469	2.3
259.11118	13.6
270.09854	1.9
309.12045	3.2
371.20734	3.5
398.15689	2.4
406.17340	43.5
407.13843	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32536	2.3
55.05512	21.7
67.05511	3.8
69.03438	5.9
69.49477	13.2
70.06590	2.1
72.08170	4.1
78.03464	5.3
81.03413	10.6
81.07072	3.3
83.04987	18.7
83.06110	2.6
83.08630	15.2
84.04523	3.7
85.02917	4.7
86.09728	2.7
93.07040	4.3
95.04965	3.7
97.06562	3.4
97.10178	3.3
98.22752	3.6
101.07256	2.6
106.02909	20.3
107.08613	6.9
109.02904	4.3
109.06498	5.3
109.10165	9.6
111.08048	3.1
114.14629	2.3
120.08128	11.4
121.10101	4.3
123.11689	4.9
124.03955	28.4
125.09563	3.3
127.03927	3.3
138.09164	3.7
151.11189	18.8
167.14320	35.2
173.13225	4.3
180.10196	4.9
182.12958	7.3
183.11336	4.2
191.14417	3.2
196.67766	3.0
200.13911	3.2
209.15373	100.0
210.12408	3.6
210.15704	6.6
228.13449	3.6
250.07126	10.7
259.11182	2.8
268.08203	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72301	4.3
55.05516	10.4
67.05489	9.8
69.03423	9.0
69.07063	8.7
69.42117	14.2
69.42516	12.4
76.02230	10.7
79.05492	7.7
80.17959	4.7
81.07056	13.8
83.04981	21.0
83.08630	8.6
84.04482	16.6
85.02901	18.9
85.06535	6.9
87.02694	7.4
90.21291	5.1
91.05490	6.7
93.07042	13.7
95.08588	17.8
97.06535	7.0
99.08098	8.5
105.07040	11.3
107.08609	29.0
109.06515	4.9
109.10168	11.0
111.08091	10.4
116.01633	10.1
119.08582	8.1
121.10149	22.5
125.09608	6.9
130.05020	6.3
130.06862	6.2
131.08528	9.3
133.09218	9.0
133.10147	85.4
135.11699	12.7
145.10187	6.3
149.09628	52.9
149.13264	11.5
151.11208	27.0
153.09145	26.4
153.10188	4.9
156.10228	5.8
157.06740	6.3
162.02249	12.0
163.06067	5.7
163.11176	6.6
163.14839	6.2
167.06956	6.1
171.27620	4.7
173.13295	34.6
174.09543	7.2
179.04875	5.9
191.14354	61.0
192.14659	5.5
197.45401	5.5
209.11821	7.8
209.15398	100.0
210.15622	6.5
210.58681	6.1
223.96196	4.4
250.17998	8.4
259.11197	41.4
278.17468	6.9
299.67874	5.3
317.84610	5.2
406.21649	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
53.38971	3.1
57.03428	3.8
59.13051	3.9
61.02921	6.1
67.05492	5.3
69.03420	17.5
69.07080	4.2
69.40365	21.4
76.02242	7.6
79.05510	6.3
81.03417	9.9
81.07070	17.8
83.05004	5.3
83.08651	3.5
84.04507	8.3
85.02926	16.1
85.06573	4.6
91.05463	8.4
93.07050	8.8
95.05006	6.1
95.08607	22.6
97.02913	7.9
97.06542	4.3
98.09712	4.0
103.38724	4.3
105.07054	13.2
107.08608	12.5
109.06544	12.0
109.10127	5.8
111.08043	3.7
116.01670	6.0
121.06551	7.5
121.10197	7.4
124.07545	3.8
124.11222	8.4
127.03931	8.1
131.08580	9.9
133.10127	90.6
133.16495	3.9
134.10503	4.8
135.08003	6.1
135.11739	4.4
137.05977	4.5
142.12297	15.9
143.08577	3.5
145.04987	5.4
147.11693	8.8
151.11188	21.1
155.03442	10.5
156.08424	9.7
162.02191	8.9
163.14835	7.8
167.07123	8.2
173.13261	36.6
183.06606	7.5
191.14294	54.4
209.15375	21.3
216.10281	11.6
226.08716	20.3
242.15500	4.9
244.09799	33.3
247.12521	4.4
259.11136	27.7
370.20154	8.2
406.22266	100.0
407.22516	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20808	2.7
55.01863	2.6
55.05520	3.6
57.03432	5.6
58.99589	6.3
63.97153	2.7
66.73756	3.0
67.05505	5.5
69.00192	21.1
69.03426	4.1
69.07056	7.0
70.06568	5.2
71.04996	5.8
76.02238	13.1
76.04024	3.3
78.03459	3.4
79.05492	7.8
81.07045	20.5
83.04993	3.1
84.04516	10.9
84.08165	3.9
85.02931	3.3
85.06541	9.9
86.09695	3.4
86.99041	4.0
87.02677	2.9
91.05489	12.9
91.44058	2.7
93.07058	15.6
95.08620	9.0
98.09690	5.0
98.22648	6.0
99.08107	4.2
105.07033	30.5
106.02914	7.8
107.08597	21.4
109.06540	11.2
109.10127	15.9
113.04258	3.8
116.01682	12.2
117.03390	3.1
117.07097	2.7
119.08582	8.2
120.08128	5.0
120.83966	3.0
121.06516	8.0
121.10165	7.7
123.08085	6.6
124.03938	25.1
124.11244	3.7
127.07561	3.4
130.05022	6.4
130.06816	5.1
131.08566	20.3
133.10130	100.0
135.08081	5.7
137.09630	6.4
143.08684	3.3
144.01173	3.3
145.10129	8.5
147.11716	3.6
149.09592	16.1
149.13289	10.6
151.11142	5.9
156.08432	8.1
156.10248	6.5
157.06926	4.5
162.02238	8.6
173.13268	28.6
174.09439	6.0
179.04861	4.6
189.14415	2.9
191.14319	38.1
233.05867	3.6
250.07327	4.4
259.11142	51.3
278.97479	2.9
284.02350	3.2
388.20688	13.5
406.22220	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	8.5
69.03413	7.9
70.90726	12.5
77.37336	7.2
81.07053	18.3
84.04496	8.7
85.02927	12.1
91.05482	42.8
93.07019	14.0
93.35970	7.7
95.04980	9.7
95.08608	14.4
104.23991	9.1
104.57023	8.3
105.07057	15.4
107.08601	20.9
119.08568	14.7
121.10154	19.2
133.10150	21.1
135.08047	8.3
138.09151	7.0
149.09666	12.7
149.13283	9.2
151.11145	10.4
156.08528	12.3
156.44121	7.5
162.02066	8.5
163.14818	18.4
168.17848	7.9
173.13182	19.8
179.14360	15.9
191.14307	31.1
209.15395	41.8
227.16409	43.9
244.09712	11.1
259.11124	35.1
260.05325	16.7
261.50381	7.5
275.32303	8.1
287.51328	7.8
357.69333	8.7
406.21783	100.0
407.12036	34.5
407.20764	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29189	0.5
55.93525	1.0
56.96564	0.7
57.07064	0.5
58.99862	5.6
70.96836	0.6
71.92992	0.8
72.93769	0.8
74.09711	1.8
77.00923	1.4
81.21808	0.5
82.99865	0.6
84.04485	1.2
85.01400	1.2
88.84074	0.5
95.01946	0.7
97.02923	2.8
97.29974	0.6
99.02943	3.6
101.00877	7.0
103.02437	4.6
109.01420	2.4
109.06528	0.6
112.84263	0.5
114.49375	0.7
117.04000	30.5
118.04156	1.3
119.01926	26.6
120.02001	1.4
121.03497	2.4
122.03606	0.5
127.02410	13.1
128.02518	1.0
129.03976	0.8
131.01859	0.7
132.02701	0.5
135.05042	19.3
136.05075	1.2
137.02956	9.6
138.03058	0.8
140.17836	0.5
143.01917	6.5
145.03467	100.0
146.03583	5.2
147.01402	1.9
147.05002	1.3
153.00320	0.7
153.03969	0.6
157.07112	4.6
159.05046	7.4
160.05238	0.7
161.02913	5.5
161.06647	1.4
163.00870	0.7
163.04535	31.2
164.04665	1.7
165.02504	1.3
167.05566	2.3
168.05109	1.1
169.03461	2.6
169.07103	1.4
171.01393	6.5
171.05034	6.0
175.08168	6.9
177.06117	1.7
179.04019	0.7
180.46150	0.6
183.05049	3.7
185.02985	1.7
185.06606	19.6
186.06798	1.7
187.00880	0.6
187.04532	8.9
187.08217	1.9
189.02455	12.4
189.06073	2.4
190.02670	0.9
193.03461	0.6
195.05032	15.9
196.05280	1.3
197.02921	1.9
198.09863	0.5
201.06105	8.5
202.06232	0.6
203.07660	4.5
204.88875	0.6
205.01930	0.6
205.05588	1.6
207.03529	6.2
207.07106	1.1
209.02844	0.8
211.04506	9.7
212.04636	0.9
213.02504	2.8
213.06090	32.8
214.06235	2.5
215.00607	0.6
215.04010	6.7
221.03026	0.8
227.04008	3.7
229.05577	9.8
230.05762	0.8
231.03558	3.2
231.07126	1.9
233.01463	0.8
234.01320	0.9
236.07602	0.7
237.02432	2.2
239.04028	15.0
239.06339	1.1
240.04254	1.5
241.01956	2.4
245.05081	1.1
247.06691	2.5
251.02472	1.8
255.03619	3.5
256.03967	0.7
257.05090	18.3
258.05344	1.9
259.03009	2.7
260.03302	0.7
265.01959	1.9
271.02261	0.6
273.04578	2.9
275.02579	1.6
275.06174	2.1
283.03000	7.7
284.03088	1.3
285.00894	0.8
291.05551	2.1
293.03409	1.2
299.02280	1.1
301.04074	11.2
302.04324	1.8
303.01959	3.8
309.00970	0.7
319.05167	2.1
327.02008	3.2
343.00690	0.7
345.02985	3.6
371.00827	6.0
372.01230	0.8
389.02097	7.6
390.02322	0.9
397.79202	0.6
407.03015	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	407.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08927	0.6
50.44692	0.8
53.03944	0.8
55.01876	2.0
67.05527	1.1
76.19891	0.7
77.03931	0.8
79.05496	7.0
91.05482	5.7
92.06282	0.7
93.03429	1.3
93.07036	1.2
95.04970	1.5
98.22653	2.0
103.05479	7.0
105.07039	21.7
107.04966	5.5
107.08602	0.8
108.05744	1.0
109.06499	1.5
111.04436	0.9
115.05441	0.9
117.07053	1.0
118.04168	6.1
119.04975	4.0
120.05747	1.0
121.06523	4.0
122.07261	1.1
123.04411	1.7
123.08065	1.9
124.05205	1.3
124.57420	0.7
125.06023	1.5
131.04979	1.3
132.05728	1.4
133.06503	24.0
134.07179	0.7
135.04414	3.5
135.08054	4.4
137.05988	9.5
146.03625	2.1
147.04414	1.9
148.05176	1.3
149.05913	3.6
150.06781	15.4
151.03920	14.0
151.05061	1.8
151.07553	6.0
153.05460	2.5
161.05986	3.1
163.03969	1.0
163.07545	2.0
165.05487	2.1
165.09135	16.4
167.07043	12.0
168.07748	1.9
174.06779	0.9
177.05438	1.9
178.06224	4.2
179.07040	3.9
180.07809	1.0
181.04979	1.9
181.08659	1.4
190.12529	0.8
193.08617	63.3
194.08926	2.7
195.06516	1.0
196.07181	0.8
205.08629	2.2
211.09668	100.0
212.10071	4.7
222.56650	0.8
226.08449	0.8
273.39615	0.7
295.97937	0.7
382.43121	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	407.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
54.10672	2.3
55.01874	7.5
57.22513	2.5
64.00404	2.4
65.03946	9.9
67.05519	5.2
69.03419	3.0
71.01348	4.6
71.30595	2.3
77.19753	2.7
78.04682	3.0
79.05493	15.0
81.07069	5.1
83.04956	2.7
85.02906	3.1
87.90010	2.5
91.05486	27.6
93.03408	3.4
93.07034	4.5
95.04988	16.2
103.05473	29.3
105.03374	7.0
105.07050	10.5
107.04961	67.5
108.05312	2.7
109.06526	11.5
115.05475	10.9
117.07042	3.0
119.04937	9.2
120.05743	5.9
121.06508	12.5
122.03651	4.8
123.04422	16.1
125.05999	4.8
131.04977	6.6
131.08545	2.5
133.02870	18.3
133.06493	14.9
134.07132	2.7
135.04460	3.2
135.08054	17.5
136.05217	3.2
136.23776	2.4
137.06000	46.5
138.03116	4.1
139.03914	6.1
140.04691	8.3
142.02591	4.4
145.07687	2.6
147.04405	11.4
148.05194	3.6
149.05983	10.1
151.03947	4.7
151.07553	11.6
153.05476	19.5
154.06195	2.4
155.07050	9.9
161.05983	21.8
161.09694	4.9
163.03932	4.2
163.07555	75.6
164.07979	2.7
165.01945	2.8
165.05504	35.1
166.06186	7.9
167.07054	12.4
175.07529	3.8
177.05504	8.4
179.07057	8.5
180.07791	22.0
181.04974	100.0
181.08548	43.6
182.09369	5.0
183.06522	7.3
189.05460	3.4
189.09096	17.0
191.07114	3.5
193.05019	20.9
196.07356	2.8
197.08069	6.4
199.09644	2.6
207.06529	21.1
207.08232	2.7
207.10086	12.3
208.07320	56.5
209.08011	8.1
211.07768	2.7
211.09727	3.6
225.05533	2.7
225.07581	43.8
226.08359	36.8
229.04897	4.1
235.09666	3.5
269.04318	5.1
275.66638	3.0
313.10754	4.2
320.52762	2.7
336.74625	2.5
341.13629	3.2
359.14661	4.7
389.16022	3.9
407.07565	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	407.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	1.6
57.03431	1.0
65.03933	1.7
67.05504	1.0
69.03390	0.8
69.83628	1.8
70.29541	0.6
79.05503	8.4
91.05489	7.3
93.07047	0.9
95.04958	2.0
98.22666	0.9
98.47785	0.7
103.05484	6.5
105.07037	25.0
106.02909	0.8
106.07407	1.0
107.04982	3.6
108.05766	1.9
109.06506	1.5
115.05445	1.8
117.07069	1.0
118.04180	8.5
119.04977	3.9
121.06512	4.3
122.07280	2.7
123.04456	1.1
123.08083	2.1
124.03933	1.1
124.05221	2.2
125.05963	1.3
131.04951	1.6
132.05789	1.1
133.06500	22.9
134.07272	1.7
135.04410	5.0
135.08040	3.8
137.05988	6.9
146.03667	1.4
147.04411	2.7
148.05214	1.8
149.05966	4.1
150.06779	13.3
151.03932	14.1
151.05096	1.8
151.07558	4.1
152.08331	0.7
153.05441	2.0
159.93150	0.7
161.06001	2.9
163.03938	0.9
165.05508	0.9
165.09111	16.6
167.07045	12.3
168.07785	2.3
177.05489	1.0
178.06262	3.9
179.07025	2.0
180.01216	0.8
193.08614	60.7
194.08887	1.9
195.06506	1.0
196.07373	1.2
205.08612	2.1
211.09666	100.0
212.10083	5.1
212.11864	0.7
238.41400	0.7
305.70639	0.8
373.31226	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	407.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01874	4.3
58.23418	1.4
58.66383	1.4
65.03941	5.6
69.16904	2.9
69.17310	8.0
71.01390	2.2
75.04526	1.3
79.05495	14.1
81.07050	3.3
85.02905	2.4
89.03957	1.4
91.05481	14.3
93.03424	2.1
95.04987	4.2
103.05466	16.9
105.03381	3.5
105.07037	31.5
107.04961	31.4
108.02180	1.2
109.06545	4.3
110.03643	1.8
115.05457	6.5
117.07030	2.5
118.04169	8.0
118.28410	1.4
119.05014	6.6
120.05749	3.4
120.08126	4.2
121.06523	7.6
122.03657	2.8
122.07330	1.4
123.04426	3.4
123.08046	2.9
124.05259	2.8
125.06007	3.7
131.04970	4.6
133.02888	6.0
133.06502	31.0
133.07433	2.7
135.04430	7.8
135.08051	8.3
137.05986	24.8
138.06757	2.2
146.03630	2.8
147.04457	5.3
148.05197	3.0
149.05974	9.7
150.06767	16.6
151.03915	16.7
151.05008	1.5
151.07544	7.4
153.05470	8.0
155.07036	3.5
161.05986	12.1
161.09622	3.3
163.03937	2.3
163.07545	28.7
165.05478	13.1
165.09129	19.3
166.06303	3.1
167.07069	14.7
168.07866	1.9
175.07465	1.5
177.05499	6.2
178.06213	4.2
179.07048	6.3
180.07823	8.7
181.04982	34.8
181.08607	14.3
183.06519	2.9
189.05519	1.9
189.09152	4.8
193.04988	7.4
193.08618	67.7
194.08932	2.6
197.08101	2.7
205.08633	3.9
207.06551	5.6
207.10188	4.4
208.07303	17.1
209.08069	3.2
211.09657	100.0
212.10193	4.9
225.07611	14.0
226.08409	11.8
235.09750	1.4
245.04463	2.8
245.08234	5.3
270.98587	1.4
313.10590	1.5
407.07736	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	407.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03946	5.0
55.01872	10.5
57.03445	2.5
58.80343	1.2
65.03944	10.3
67.05511	7.0
69.03447	2.8
71.01354	6.3
71.30561	1.6
77.03941	2.3
78.03438	2.2
79.05495	23.8
81.03421	7.3
81.07058	4.2
82.03786	1.4
82.04208	4.0
83.04958	1.5
85.02900	5.5
86.20856	1.3
91.05485	30.5
91.06017	2.4
92.06313	1.3
93.03398	3.6
93.07043	1.8
94.04210	2.1
95.04967	14.0
97.02908	1.6
97.06561	3.3
103.05479	33.4
105.03380	11.8
105.04545	2.8
105.07037	37.0
106.02924	7.1
106.04156	2.1
106.07395	2.1
107.03276	3.0
107.04960	77.2
107.08622	1.7
108.02117	2.7
109.02879	4.0
109.06526	14.8
109.60950	1.3
110.03667	4.0
111.04439	4.1
115.05472	11.2
117.07047	3.4
118.04143	8.1
119.04959	12.4
119.94904	1.3
120.05717	5.0
120.94975	1.3
121.02876	1.4
121.06511	13.8
122.03642	5.1
123.04424	12.1
123.08090	3.1
124.03962	13.1
124.05225	4.0
125.04287	4.7
125.06010	5.0
128.04276	2.0
128.68530	1.3
129.06970	1.7
131.04922	9.4
131.08609	1.7
133.02846	16.4
133.06494	34.3
134.07298	2.2
135.04414	9.4
135.08060	23.3
136.05154	4.2
136.08499	1.5
137.05984	51.1
138.06735	2.6
139.03955	3.3
140.04688	6.2
142.02586	3.5
145.06477	2.9
145.07611	2.4
146.03616	2.2
146.07239	1.7
147.04428	9.5
148.05167	5.2
149.06009	13.5
149.51210	1.3
150.06804	15.6
151.03928	15.3
151.07535	12.9
153.01831	3.5
153.05464	22.5
154.06210	4.8
155.07027	14.6
161.05997	27.0
161.09641	7.1
163.03860	3.0
163.07542	90.3
164.07962	4.5
165.05486	38.9
165.09120	16.7
166.06258	5.3
167.07071	19.9
168.07597	1.7
171.06554	4.8
174.06769	2.3
175.07599	4.1
176.04721	1.4
177.05463	8.9
178.02695	1.8
178.06248	4.5
179.07025	9.8
180.07819	21.5
181.04970	100.0
181.08568	39.4
182.05403	4.3
182.09230	2.9
183.06566	7.1
189.05490	4.6
189.09119	16.5
191.07002	2.7
193.04976	19.4
193.08618	62.0
194.08929	2.2
195.06514	5.4
196.07339	3.8
197.07135	7.3
205.08551	2.1
207.06543	16.2
207.10077	11.1
208.07324	49.0
209.07916	6.1
211.09660	97.9
212.10056	5.3
217.08601	1.7
225.07594	47.2
226.08363	34.7
226.10596	1.7
227.08694	2.6
235.09598	2.0
243.07623	8.5
250.07082	2.5
251.07349	3.6
252.08275	1.4
268.08188	2.7
269.08386	4.0
270.08630	1.5
313.10663	4.3
313.14429	2.4
357.13321	3.5
359.14807	5.2
371.14575	1.7
389.15787	2.5
405.35101	1.4
407.07669	3.7
424.24536	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	0.6
62.56023	0.5
67.05511	0.6
69.18272	3.8
70.06590	1.5
71.08592	0.7
88.07642	1.1
132.10204	0.5
216.84941	0.6
257.26840	0.7
300.28848	0.6
301.29166	2.9
336.15482	0.5
337.15857	0.7
345.31992	1.2
356.75925	0.6
406.35168	1.3
407.24039	100.0
407.35315	8.2
408.24292	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06600	0.9
79.51729	0.4
93.07035	0.6
101.35861	0.4
107.38481	0.3
121.55172	0.4
152.37140	0.4
163.35237	0.4
201.66580	0.4
256.26373	0.5
259.29211	0.4
279.15662	0.5
297.50235	0.4
300.28757	0.7
301.29318	1.4
315.22946	0.5
316.35388	0.5
345.32040	0.4
406.35297	0.7
407.24039	100.0
408.19373	0.8
408.24365	8.8
409.66006	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	407.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
54.12439	3.0
55.01878	16.1
55.05516	48.1
57.07066	3.8
58.24019	2.6
64.66867	2.7
65.03944	6.4
67.05511	26.7
69.03442	21.5
69.07065	9.8
69.55386	5.9
69.55791	8.5
71.04987	16.3
75.86842	2.8
79.05505	30.7
80.31796	2.6
81.07066	34.4
83.04993	22.4
83.08629	47.6
87.04479	3.4
91.05486	40.1
93.07051	52.1
95.04371	5.6
95.04977	100.0
95.08617	40.8
97.06535	55.0
102.30978	2.9
105.06377	5.6
105.07036	69.1
107.04964	3.6
107.08594	52.1
109.06547	16.2
109.10192	13.9
111.08088	10.3
111.14442	2.9
113.09652	32.9
115.05451	4.2
117.07034	15.0
119.08588	34.3
121.06517	17.4
121.10155	15.0
123.08081	13.0
125.09629	18.4
128.06230	9.5
129.07028	21.3
130.07796	10.5
131.04868	2.9
131.08575	28.0
133.06500	6.3
133.10123	20.5
135.08086	3.9
139.11226	21.4
141.07013	11.3
142.07758	20.2
143.08589	32.9
144.09351	8.7
145.06511	5.6
145.10135	44.0
147.08057	12.2
147.11710	7.4
149.09674	4.6
153.06993	4.1
153.12744	10.2
154.07782	6.3
155.08620	14.5
155.10643	14.0
156.09384	17.6
157.06522	3.3
157.10141	49.7
158.07295	4.1
159.08072	14.2
159.11697	11.6
161.09631	12.6
163.11203	6.0
165.06999	6.2
166.07805	4.5
167.08534	16.0
168.09386	3.7
169.10146	27.1
170.07269	3.3
170.10933	5.7
171.08078	6.6
171.11702	35.1
172.08855	5.1
173.09662	13.9
173.13237	4.3
179.08574	13.9
179.14363	7.4
180.09254	6.3
181.10141	19.6
181.12186	19.9
182.10965	6.5
183.08124	4.8
183.11702	17.4
184.12384	3.2
185.09642	10.0
185.13321	11.5
185.63693	2.7
187.11176	4.8
189.12627	3.6
191.08560	5.1
192.09370	3.4
193.10149	10.9
194.10899	9.2
195.11716	16.5
195.13708	5.6
196.12413	8.1
197.09740	3.6
197.13225	15.5
199.11226	16.2
199.14775	3.8
201.12704	3.8
205.10165	6.6
206.10974	12.4
207.11691	11.5
208.12572	4.4
209.09631	7.8
209.13232	20.3
209.36249	2.6
210.13885	4.9
211.14874	22.7
215.14291	5.2
220.12393	4.5
221.13278	19.9
221.15399	9.1
222.13876	7.1
223.14864	9.3
224.12085	3.4
225.12761	6.1
225.16467	3.2
227.14464	3.0
233.13210	4.9
233.15369	6.5
235.14908	8.6
237.12721	4.2
239.14290	25.1
245.15497	5.0
247.14659	5.8
247.16997	5.7
251.14258	3.4
253.15927	3.6
259.16882	3.3
265.16016	3.8
272.17783	4.9
273.18411	3.3
275.16516	8.9
285.18488	6.3
286.19296	5.7
292.05612	3.7
297.18631	5.0
298.19293	47.1
299.19989	7.9
301.17990	6.4
311.19867	4.4
389.24829	6.0
407.25824	73.6
408.26035	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	407.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.8
55.05516	47.0
57.07072	4.2
59.05018	4.3
66.16160	3.9
67.05511	34.3
69.03434	19.7
69.07072	16.5
71.04991	11.8
71.27848	4.7
75.94611	3.5
79.05502	36.8
81.03428	4.9
81.07063	32.5
83.04982	17.7
83.08624	51.0
85.02903	4.7
87.04455	3.5
91.05482	44.4
93.07043	63.2
95.04975	100.0
95.08610	42.9
97.06544	54.4
102.45391	4.2
105.07037	72.1
106.07349	4.3
107.04933	4.3
107.08608	51.3
109.06532	16.3
109.10180	15.4
111.08086	14.2
113.09663	33.3
115.05472	4.5
117.07035	14.0
119.04954	3.7
119.08597	42.6
121.06554	18.1
121.10145	16.9
123.08093	19.9
125.09665	15.3
128.06248	17.6
129.07050	22.8
130.07803	12.7
131.08583	36.1
133.06503	5.1
133.10161	31.9
135.08102	5.0
135.11731	7.6
137.09644	5.3
139.11215	25.3
141.06992	9.6
142.07761	29.9
143.08574	42.1
144.09343	8.5
145.06479	10.2
145.10130	34.8
147.08073	7.7
147.11664	5.6
153.12798	7.7
154.07776	6.1
155.08575	24.0
155.10658	19.0
156.09357	15.8
157.06497	4.4
157.10164	54.9
159.08066	24.9
159.11679	19.4
161.09622	17.0
165.07019	9.5
166.07887	5.2
167.08636	8.5
168.09372	7.0
169.10168	35.3
170.10837	8.1
171.08070	9.1
171.11708	38.2
172.08879	5.5
173.09634	8.3
173.13266	5.8
179.08580	12.5
179.14401	5.3
180.09367	9.2
181.10225	19.6
181.12241	17.0
182.10959	5.7
183.08084	6.0
183.11696	28.7
185.09596	9.9
185.13322	11.3
187.11171	5.2
189.12827	5.3
191.08504	4.5
191.14218	4.5
193.10158	13.8
194.10922	12.4
195.11656	23.0
195.13654	3.7
196.12387	6.6
197.09674	6.4
197.13268	16.9
199.11302	18.3
206.10950	11.8
207.11655	10.4
208.12514	9.7
209.13284	20.2
211.14815	21.9
215.14331	6.6
221.13286	18.7
221.15315	9.1
222.14078	6.8
223.14854	7.9
225.16524	4.7
233.13216	7.1
233.15393	12.6
235.14774	6.8
237.16382	5.9
239.14362	23.4
241.15874	4.7
247.14644	4.9
247.16971	4.6
252.71700	4.2
253.15797	5.5
259.17123	5.6
265.16028	5.8
275.16495	9.4
285.18542	7.3
286.19357	6.4
289.19669	4.0
297.18420	5.1
298.19305	40.5
299.20117	8.0
315.19580	6.7
389.24765	6.6
407.25784	74.2
408.26154	4.8
411.94131	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	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03406	2.2
54.86066	1.7
55.05516	15.2
57.07082	21.0
63.12455	2.0
67.05511	9.7
69.07067	27.0
71.08634	11.6
72.45207	1.8
79.05499	4.3
81.07065	26.3
83.04971	1.9
83.08624	17.0
85.10184	5.1
89.06050	5.1
91.05487	3.7
91.89141	1.8
93.07069	8.2
95.08611	22.7
97.06504	2.4
97.10187	10.5
98.23361	6.0
99.04463	72.0
99.05111	3.8
102.16922	1.9
105.07037	6.1
107.08584	4.8
109.06512	3.3
109.10175	9.1
111.11738	6.3
113.06043	3.1
119.08607	6.8
121.06534	2.3
121.10161	4.4
123.08100	5.2
123.11710	2.7
125.06000	100.0
133.10168	6.3
135.11752	2.5
137.06033	6.9
137.09645	3.3
137.13284	2.5
139.07652	3.0
143.08575	2.3
147.11684	4.4
149.09709	2.0
151.74873	2.1
157.10156	4.1
161.09724	2.9
163.11224	4.1
165.09203	4.4
175.11258	5.7
193.12256	5.6
317.28467	3.0
347.33090	2.7
365.34128	5.2
371.33249	6.8
389.34119	63.2
390.34341	8.6
407.35025	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	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	3.7
57.07078	12.9
65.03931	7.0
67.05507	28.1
69.07068	7.5
71.04971	4.3
71.08633	8.7
71.27483	3.7
81.07077	4.9
83.08611	5.4
85.10173	3.4
89.06067	3.4
91.74904	3.0
93.92649	3.0
95.04994	11.4
95.08610	3.8
97.10178	4.5
99.04490	10.3
106.23544	3.0
107.08582	3.0
109.10220	3.5
111.11753	4.0
113.06040	5.0
123.04445	19.5
125.05997	8.1
133.08652	3.3
133.10220	2.7
141.05472	100.0
141.06528	6.1
142.05806	3.8
195.79425	2.9
226.12796	3.3
236.62219	3.2
286.83127	3.8
289.31061	2.9
359.15909	3.3
389.33972	8.1
407.35181	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03936	2.7
53.92911	0.6
55.01862	0.6
55.57939	0.5
57.03419	1.5
66.80039	0.7
69.03426	7.3
70.06581	1.4
70.48422	0.7
70.48763	1.5
71.04971	0.9
73.02921	0.9
75.72250	0.6
78.03451	18.7
80.05007	3.7
81.03419	15.1
84.08116	0.9
85.02901	6.0
86.09718	4.4
91.05458	0.8
91.82059	0.6
96.04495	4.5
97.02914	4.9
99.04414	3.3
106.02915	61.9
107.03292	1.0
109.02880	33.8
110.07146	1.7
111.04425	1.9
112.68154	0.7
120.08094	1.6
124.03954	100.0
125.04332	3.0
127.03916	6.6
139.03951	1.5
141.05461	9.0
145.04892	1.0
148.07826	0.6
155.12067	0.6
156.07692	1.0
166.04982	2.1
167.10634	0.8
175.11263	0.9
196.06180	0.7
196.09468	1.5
199.18028	1.5
232.06050	1.4
233.15456	0.9
250.07095	24.6
251.07491	1.0
268.08145	29.1
269.08530	2.3
281.76956	0.7
293.14651	1.6
390.19342	0.9
408.12766	6.2
408.17413	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	408.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
53.67185	1.5
54.17619	1.6
55.01867	2.7
56.96584	2.1
68.99818	3.9
69.03428	4.5
70.06572	2.8
72.08156	1.7
77.03919	2.1
79.01834	2.9
81.03426	10.4
81.07066	2.5
84.04498	3.1
84.63438	1.6
85.02893	3.4
91.05482	2.1
95.04985	3.4
97.02891	5.9
103.92932	1.8
107.01313	1.6
107.04987	1.7
109.02873	6.3
115.05503	1.8
119.04919	1.9
123.03550	3.5
123.04432	57.2
125.02367	3.0
127.03934	6.5
139.03900	5.0
143.03435	3.8
147.04385	7.4
149.02322	3.2
151.03918	13.1
153.01834	100.0
153.02840	3.9
153.07021	2.1
154.02202	3.4
163.03909	5.2
166.07301	1.6
167.07021	7.3
171.02876	14.0
173.06059	1.6
175.03862	11.8
177.05469	4.2
181.06560	1.9
187.03969	4.6
189.05495	7.3
191.03410	2.6
193.04973	19.2
201.05556	4.7
203.03404	22.9
206.16214	1.6
211.09680	2.7
213.05556	2.6
215.03384	6.8
217.04926	4.2
229.04996	10.5
231.06454	2.6
237.05734	2.4
241.04955	2.7
245.04434	27.6
255.06595	2.8
257.04440	28.3
258.05234	5.2
259.06122	9.5
265.04980	2.6
271.06058	17.4
283.05981	25.2
287.05521	74.8
287.42090	1.6
297.06100	7.2
299.05557	11.0
315.07150	16.9
408.07669	4.4
408.12466	4.7
409.09128	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	408.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80203	3.2
69.63396	3.5
69.65762	16.3
70.00280	4.0
81.04297	3.4
84.04515	5.2
85.02901	3.9
97.02841	3.5
103.05493	5.0
105.07032	100.0
114.05533	14.1
122.09668	51.6
130.04994	4.9
145.02867	5.0
145.06143	5.5
149.04611	4.9
163.03966	4.3
163.94402	3.2
166.07256	50.6
167.07057	74.4
168.07394	4.2
177.03322	4.6
177.05542	4.5
181.45612	3.2
195.04440	4.3
211.09679	7.9
216.08867	4.4
227.08176	3.8
229.10675	5.8
234.96840	5.6
247.04256	15.6
252.98088	8.5
275.97180	4.7
335.33435	4.0
357.72302	3.8
359.48080	3.7
400.96161	3.7
409.07440	8.2
409.15250	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	408.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01870	0.6
69.28220	2.1
79.05499	1.9
81.03392	0.6
84.47827	0.5
85.02921	2.3
95.04963	1.0
97.02878	0.9
103.37856	0.5
103.53535	0.4
105.04545	0.4
107.04964	100.0
108.05301	2.6
121.06494	0.4
125.96626	0.4
131.21379	0.4
145.04987	0.7
209.00677	0.5
248.89371	0.5
251.09227	1.0
253.57433	0.5
261.05734	0.5
269.10095	0.5
289.08563	0.5
349.06323	0.4
350.67526	0.5
408.12592	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56119	0.7
59.04072	0.7
70.91391	1.3
79.05439	0.8
84.04503	1.6
85.02903	2.7
91.05448	0.8
93.07057	0.7
99.05580	1.6
105.07040	2.9
114.05544	1.5
121.06496	0.9
122.09686	1.2
123.04427	2.5
124.05195	1.3
130.05017	1.4
145.02864	0.9
145.04990	1.1
145.06085	2.2
149.05974	1.7
151.03934	0.8
152.04749	1.0
153.06610	0.8
163.03830	0.9
166.07257	7.5
167.07051	100.0
168.07378	3.3
169.04910	1.0
177.03325	2.4
179.07008	1.3
181.08575	2.2
193.08617	3.5
199.03833	0.9
211.09653	11.6
229.10774	6.1
247.04227	1.6
376.28995	0.9
409.14615	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	408.2129
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
55.05504	0.5
56.05027	1.4
58.22402	0.4
67.05508	1.0
69.01947	1.6
69.02362	3.0
69.07071	2.7
70.06572	0.7
70.85485	0.5
74.19456	0.4
76.48741	0.4
79.05502	1.5
81.03409	1.1
81.04549	1.5
81.07050	2.0
82.05325	0.7
83.04999	0.7
83.06104	6.7
84.04506	6.8
84.08105	0.6
85.06573	0.6
86.09708	24.1
87.10043	0.8
91.05473	1.0
93.04531	4.2
93.07050	1.2
95.06089	5.0
95.08585	0.7
97.06528	0.7
98.22649	1.2
102.05556	3.3
103.05471	0.7
105.07035	1.7
107.08604	0.7
109.06538	0.6
110.07167	100.0
111.07500	1.6
112.08694	0.7
118.75581	0.5
119.08582	0.7
120.08109	21.3
121.02866	3.5
121.06507	1.3
121.08434	0.7
125.05990	0.7
129.06618	2.2
131.04880	0.6
132.10197	1.0
133.10143	0.8
135.08109	0.8
137.02368	0.4
147.11662	0.8
152.10663	0.6
156.07684	36.9
157.08035	0.7
166.08643	7.3
170.11816	0.8
173.06081	0.5
175.11183	0.6
179.03438	0.6
197.12817	3.1
215.13928	8.1
225.12279	0.6
231.11307	1.0
233.16551	2.5
243.13425	2.5
249.12408	0.6
267.15808	0.6
271.05997	0.7
278.76443	0.5
287.05472	0.9
300.20734	0.9
326.18774	0.7
336.31293	0.6
344.19547	2.7
346.21417	3.8
362.20767	6.1
364.22333	0.6
372.19144	1.0
385.06018	0.5
390.20288	3.1
408.21341	19.3
409.09821	0.6
409.21640	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	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11081	1.7
53.92987	2.2
55.05510	6.2
67.05505	11.4
69.03434	5.9
69.07063	5.7
69.08825	15.7
71.05016	2.8
75.76375	1.7
76.73734	1.7
79.05508	8.0
81.03440	3.1
81.07058	44.5
83.04990	3.8
83.08626	4.8
85.02909	16.7
85.06566	3.3
91.05486	13.8
93.07064	4.2
95.08600	10.8
97.02914	4.9
97.06555	4.5
99.08112	2.4
105.07039	23.5
105.46992	2.1
107.08611	10.1
109.06519	4.7
109.36385	2.1
112.55085	2.0
113.06020	2.1
119.08595	18.4
121.10157	17.1
123.08153	2.1
123.11720	24.9
127.03960	3.9
127.07542	2.9
133.10156	4.0
137.13354	2.7
147.11687	62.4
148.12047	4.6
165.12773	49.7
166.26096	2.1
171.00613	1.8
175.11249	2.1
180.08644	3.0
183.13820	16.5
193.12257	4.7
211.13329	8.5
229.14349	100.0
230.14639	3.3
408.23364	2.2
409.09418	2.3
409.22238	4.1
418.41324	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	408.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.8
70.37907	4.5
77.89362	1.6
79.05550	2.7
81.07097	2.3
82.61169	1.7
91.05476	2.8
95.08622	2.6
100.18147	1.8
107.04945	5.0
108.05745	3.3
108.99300	1.7
121.06493	3.0
136.05199	6.0
147.08040	2.5
150.06775	2.2
151.07545	100.0
152.07854	4.6
165.09061	8.5
177.09145	8.6
186.10405	2.3
217.12207	2.9
229.14543	1.6
266.11813	2.0
340.16733	13.6
355.19058	8.4
408.12329	3.4
408.20139	1.9
409.25671	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	2.5
67.05512	2.9
69.07061	5.0
71.05013	3.6
79.05489	2.9
81.07061	8.8
84.04515	2.7
86.09712	8.2
91.05498	3.3
93.07051	4.9
95.04936	2.3
95.08615	4.7
97.06570	3.6
99.04473	4.9
99.86262	2.4
105.07059	4.8
107.08582	3.2
109.06509	2.3
109.10159	8.4
119.08569	5.5
120.08135	10.7
121.06541	4.1
121.10116	3.1
131.08528	2.5
133.10144	12.7
135.11697	4.1
136.07582	6.6
147.11743	2.1
149.13309	3.4
175.14873	7.8
177.16457	4.9
193.12354	3.8
193.15929	8.1
207.03210	2.1
211.13251	2.6
211.17014	7.4
249.16026	4.6
255.74316	2.1
346.70847	2.4
408.16690	4.9
408.24240	3.0
409.18295	100.0
409.81799	2.7
425.13098	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	409.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28635	0.9
65.89632	0.9
70.06599	1.2
71.28336	1.3
76.21108	0.9
88.07634	0.9
89.03908	6.6
91.05486	1.0
93.45575	0.8
105.07035	12.7
106.07364	1.8
106.64358	0.8
114.05566	5.2
117.03386	11.0
122.09680	5.9
135.04373	7.3
136.07579	1.5
145.02858	16.1
146.03206	1.3
149.04604	3.0
149.05922	1.7
163.02513	1.5
163.03897	28.4
166.07251	23.4
167.05742	1.2
167.07068	3.1
168.07367	2.9
169.04942	3.1
177.05461	14.5
182.08112	1.0
185.02106	5.4
199.03699	9.9
215.01637	1.9
229.03162	5.5
233.02667	9.6
235.02136	1.0
244.08167	2.0
247.04248	100.0
248.04572	2.9
273.02646	1.0
391.06384	2.7
409.07382	32.2
410.07791	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	409.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26534	5.8
57.60966	5.2
63.16709	5.6
68.26519	6.4
78.68974	5.5
87.28156	5.3
95.09634	5.3
98.22641	12.4
118.95076	5.4
122.90477	6.4
323.08124	10.7
409.08994	100.0
409.17847	28.0
410.09207	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	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08252	0.9
56.05045	1.4
60.99162	1.9
70.06602	1.2
71.28930	1.5
76.02216	1.1
78.01814	1.6
78.31666	1.1
81.07042	2.1
84.04500	3.2
86.09713	1.6
94.71374	1.1
102.05539	1.1
104.18090	1.1
107.04937	1.7
108.05305	1.2
117.03391	1.4
118.01250	1.1
145.02835	2.2
163.03906	2.2
185.04242	12.4
199.03729	1.8
203.05276	3.0
205.85648	1.0
233.02693	2.8
246.04924	1.6
247.04124	3.7
247.05939	4.0
249.35709	1.1
260.11441	1.8
261.10944	2.3
262.11090	5.2
363.28183	1.2
368.78094	1.3
409.10992	100.0
410.11200	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	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99801	0.8
69.86433	1.2
69.86829	1.5
70.63634	0.6
79.05482	1.1
91.47008	0.6
92.65987	0.6
105.03394	4.1
109.96507	0.6
123.04446	6.6
131.04942	0.9
139.03896	1.5
147.04486	0.9
151.03941	0.9
163.03963	2.3
171.02724	1.4
173.05962	0.9
175.03947	0.8
177.05466	0.9
179.07028	1.7
187.03848	0.9
189.05518	0.9
193.04962	1.4
195.02681	1.2
201.05455	0.8
203.03421	2.1
213.03764	1.1
213.05476	1.0
219.06290	20.4
220.06738	0.9
229.05060	1.0
231.04776	1.0
236.79480	0.7
237.05481	0.9
245.04440	1.6
247.05936	3.4
255.06531	1.1
257.04501	2.4
259.06033	3.1
261.07434	2.7
271.06036	3.1
271.49881	0.6
283.05981	3.7
284.06393	0.7
285.08807	1.3
287.05481	7.2
299.05670	1.4
313.08228	1.5
315.09854	0.8
331.09344	3.2
331.91083	0.6
349.10428	1.9
359.08923	0.6
377.09885	0.9
409.11075	100.0
409.18307	2.8
410.11441	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	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	0.4
70.55646	0.9
84.04481	0.5
84.08150	0.8
86.09721	1.4
109.70921	0.5
111.86252	0.5
120.08112	0.5
133.13766	0.5
138.57277	0.4
142.59006	0.4
152.91182	0.4
163.03940	0.8
171.02676	1.4
175.94405	0.4
195.02608	0.5
201.05467	0.5
213.03737	1.1
216.32018	0.5
219.06297	13.4
220.06602	0.5
247.06084	1.7
261.07428	2.5
271.06100	0.5
283.06027	0.8
287.05484	0.7
290.08096	0.5
299.19324	0.4
359.07260	0.6
391.09891	0.6
409.11072	100.0
410.11398	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	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32409	1.0
60.99174	1.5
64.33266	0.8
69.03401	1.0
70.06564	1.1
71.30616	1.3
76.02219	1.2
78.01812	2.0
79.05447	1.0
81.07060	1.6
84.04502	2.6
91.05460	0.8
94.06571	1.5
95.04942	1.2
99.08117	1.0
116.01691	1.9
118.01262	1.6
121.06474	1.6
123.04453	8.7
124.03978	5.7
125.04263	2.4
131.04959	0.8
138.05505	16.5
139.03920	1.4
143.10695	0.8
145.02748	0.9
147.04427	1.3
151.03934	1.4
158.08006	1.3
163.03876	2.2
164.01778	1.8
173.48828	0.8
175.03951	2.0
177.05476	1.2
177.09325	0.8
185.02731	0.8
185.04214	20.3
185.05742	1.8
193.04970	2.3
203.03383	2.6
215.03372	1.7
217.04988	1.5
229.04898	2.6
239.21416	0.9
245.04466	3.0
246.05142	1.9
247.05750	20.6
255.06502	1.4
257.04437	4.7
259.02274	1.1
259.06018	2.8
259.11069	0.9
260.11340	1.4
261.10782	4.0
262.10898	5.8
265.07040	1.1
271.05902	2.7
275.33154	0.9
277.03394	5.2
283.06039	6.1
287.05472	9.3
289.73990	0.9
299.05423	1.6
332.70337	0.9
353.28937	0.9
409.10904	100.0
409.18298	20.0
410.11423	10.3
410.18655	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54342	0.3
65.56641	0.4
70.44344	1.0
85.34341	0.4
86.09715	0.4
91.05511	0.5
112.62106	0.3
120.08125	0.5
158.05840	0.4
202.82899	0.4
203.05371	0.5
207.71207	0.4
247.13087	0.5
409.18320	100.0
410.18704	7.4
410.23969	0.6
423.00418	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98562	0.3
57.06631	0.2
71.14024	0.3
72.08167	0.3
75.68504	0.2
77.37608	0.3
86.09747	0.3
110.64494	0.2
120.08109	0.8
124.03961	0.4
135.72731	0.3
136.07544	0.3
163.03922	0.8
188.28838	0.3
201.05415	0.3
216.56677	0.2
219.06343	0.8
225.13374	0.3
247.06001	2.2
283.06012	0.5
287.05637	0.6
307.06479	0.3
314.29062	0.3
409.10986	2.9
409.18338	100.0
410.18704	7.4
432.12399	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43489	0.7
113.36609	0.3
120.08194	0.3
126.71321	0.3
142.14732	0.3
151.38815	0.3
179.06882	0.3
232.94150	0.3
399.89203	0.3
409.18323	100.0
410.18631	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06005	0.3
69.38489	1.4
69.38895	0.6
81.07068	0.3
100.11293	0.5
116.65192	0.4
123.08013	0.4
155.51755	0.4
222.59868	0.3
247.13235	0.9
257.05136	0.4
301.60110	0.4
379.80725	0.4
396.89850	0.3
409.18286	100.0
410.18607	7.9
429.08481	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63486	0.3
57.37861	0.3
68.79416	0.3
78.63371	0.3
85.29919	0.3
107.04997	0.4
123.04462	0.3
133.06487	0.5
195.09216	0.3
203.05324	0.5
203.44493	0.3
211.09758	0.4
211.46126	0.3
229.05016	0.7
247.13116	4.5
257.04401	2.0
287.05380	0.5
297.50711	0.3
409.18372	100.0
410.09741	0.7
410.18884	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
60.99164	0.7
70.06597	0.6
71.28045	0.4
71.28439	0.5
78.01800	1.4
81.07047	1.6
82.07391	0.6
83.10755	0.4
84.04509	2.4
85.04846	0.6
87.00620	0.5
88.98631	0.5
89.02258	0.6
100.08448	0.4
115.17862	0.5
116.01664	0.5
118.01244	1.1
145.02878	0.4
148.26598	0.5
158.08034	0.6
162.02196	0.7
164.01773	1.3
165.02150	0.7
181.04601	0.5
185.04234	1.8
233.02805	0.7
244.13501	0.5
246.04941	0.8
247.05724	7.6
261.10803	1.6
262.11069	3.2
409.11063	45.3
409.18262	100.0
410.11420	3.9
410.18594	7.1
416.91745	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	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99711	3.8
60.08198	3.6
68.26116	3.7
70.06600	75.2
71.27769	5.7
72.08176	6.4
72.92262	4.3
76.04148	3.7
76.78446	4.0
81.17439	3.8
84.04510	8.8
84.08166	10.1
87.05601	19.4
91.05511	11.5
91.94759	3.4
93.07072	7.4
98.06129	3.6
103.05480	5.2
116.07098	97.2
121.06518	100.0
128.90718	4.5
129.10274	5.2
130.05016	9.8
136.07616	14.9
138.09177	21.5
145.02823	5.6
153.01872	7.5
157.06117	8.7
161.03139	3.7
173.09248	24.6
177.05507	14.0
187.04652	5.3
199.03720	7.6
233.02696	9.1
237.46306	3.7
239.39488	4.0
245.05190	4.2
255.09697	4.5
306.05615	4.9
337.09729	8.7
409.21814	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	409.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	31.3
69.55039	100.0
81.07049	34.2
95.08579	30.6
131.10320	23.8
153.53879	21.3
181.28432	19.7
281.78754	21.1
335.19101	21.2
409.25848	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79579	0.4
55.05512	0.5
61.80600	0.3
67.05500	1.1
70.34599	0.9
79.05467	0.4
81.07053	0.9
83.06090	0.8
84.04505	2.6
84.45227	0.4
95.08627	0.7
101.07157	0.3
129.06557	0.6
130.05035	3.2
147.07648	1.0
181.79013	0.4
287.11261	0.4
404.78223	0.4
409.25623	100.0
410.25925	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.4
69.43808	1.3
69.44209	0.7
70.04128	0.3
81.07079	0.4
82.07286	0.4
95.04990	0.4
98.22678	0.5
111.48677	0.4
141.38242	0.4
199.14449	0.3
222.35980	0.3
330.30133	0.4
380.03476	0.4
390.16144	0.3
409.25604	100.0
410.25964	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.05509	16.0
57.07066	6.3
57.44716	5.8
62.39407	6.6
65.03944	5.9
67.05501	21.3
69.03452	8.7
69.07076	9.8
79.05490	17.0
81.07067	33.6
83.04968	6.6
89.06028	5.2
91.05486	41.7
93.07048	41.1
95.04964	37.3
95.08591	34.0
105.07026	100.0
106.07345	6.9
107.08602	27.0
109.06514	12.8
109.10143	7.7
116.96614	6.1
117.07014	5.7
119.08571	58.0
121.06499	20.5
121.10146	15.0
123.08062	23.5
129.07001	9.8
131.08527	27.0
133.06544	6.7
133.10120	19.7
135.08086	12.8
137.09613	13.6
142.07768	9.6
143.08551	14.1
145.10159	39.9
147.08098	20.2
147.11684	38.3
149.09654	12.6
151.07573	23.4
153.09099	5.6
155.08528	9.6
157.10143	20.3
159.08043	9.5
159.11748	22.9
161.09662	7.0
163.11221	7.2
165.09105	44.8
169.10196	13.9
171.11679	12.8
173.09671	6.1
173.13310	5.9
175.11177	26.5
181.12305	5.3
183.11697	10.3
185.09796	5.9
187.11127	5.8
201.12764	8.5
203.14378	10.1
207.13870	7.7
211.14850	9.2
219.14038	7.0
221.15361	81.8
234.16139	17.2
263.91058	5.3
286.19278	6.9
287.19754	6.6
329.21280	8.0
409.27356	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.9
55.05510	18.6
57.07082	10.1
59.05002	5.2
63.48147	4.2
67.05499	23.4
67.49429	4.4
69.03432	7.2
69.07060	6.1
69.49480	22.3
79.05498	21.0
81.07059	39.3
83.04983	5.4
89.06036	10.5
91.05470	39.1
93.07056	47.3
95.04969	50.6
95.08624	25.5
97.06526	7.2
98.22630	6.2
105.07030	100.0
105.07681	8.3
107.08591	26.5
109.06526	14.0
109.10161	11.5
111.08070	5.6
115.05448	6.4
117.07031	12.0
119.08575	64.2
121.06487	17.5
121.10149	11.8
123.08090	15.8
128.06143	6.3
129.07005	10.6
131.08572	18.2
133.08624	8.9
133.10176	23.2
135.08058	14.4
137.09647	11.4
142.07803	9.5
143.08551	18.9
144.09344	5.1
145.10117	40.3
147.08081	22.0
147.11656	40.9
149.09608	13.3
151.07564	27.8
153.09161	5.5
154.07829	5.1
155.08560	5.0
157.10170	14.9
159.08075	5.9
159.11696	14.8
160.08661	4.5
165.09106	35.9
169.10155	13.1
171.11639	10.7
173.09767	6.3
173.13234	6.0
175.11201	20.8
183.11743	12.4
185.13416	4.9
189.12732	8.5
201.12732	10.4
203.14401	13.0
207.13838	8.5
221.15352	79.8
229.15930	7.5
234.16119	14.0
239.14883	8.2
280.10944	4.7
287.19925	5.4
329.20950	7.7
409.27209	43.5
409.32492	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01865	2.5
55.05505	18.1
57.07070	6.3
59.04987	3.7
65.03947	2.2
67.05502	19.8
69.03421	7.4
69.07061	7.9
70.53706	4.3
79.05495	20.4
81.07053	25.4
83.04977	3.5
85.06535	3.6
91.05479	42.1
93.07046	46.2
95.04973	50.1
95.08604	28.5
95.53616	2.0
97.06517	7.8
103.05468	5.5
105.04514	1.9
105.07033	100.0
107.08595	23.8
109.06516	13.0
109.10158	5.3
111.08061	1.9
115.05405	5.5
117.07018	13.9
119.04964	2.9
119.08577	60.0
121.06513	16.7
121.10136	12.7
123.08078	21.2
128.06209	5.7
129.07010	7.3
130.07751	5.5
131.08575	25.3
133.06487	7.8
133.10127	17.7
135.08061	14.4
135.11684	3.1
137.09608	10.2
141.06981	4.8
142.07770	13.3
143.08556	15.0
144.09340	2.7
144.60652	1.9
145.08987	3.7
145.10117	37.1
147.08080	17.8
147.10606	3.0
147.11682	32.6
149.09634	12.1
151.07581	19.2
155.08562	9.0
156.09320	6.2
157.10115	18.9
159.08041	5.4
159.11700	14.0
161.09651	8.3
161.13240	4.8
163.11176	7.9
165.07014	2.5
165.09120	37.6
166.09441	2.3
167.08568	2.2
168.09312	5.1
169.10115	10.3
170.10913	2.1
171.11690	9.6
172.12155	2.5
173.09634	5.7
173.13269	7.6
174.10368	1.9
175.11194	25.4
177.09122	6.2
178.09917	3.6
181.10161	4.3
181.12131	3.1
182.10820	2.3
183.11708	12.2
185.09711	2.5
185.13235	6.7
187.11221	5.5
188.11894	1.9
189.12723	6.5
191.14352	1.8
193.10231	2.1
194.10854	3.0
195.11778	4.2
196.12553	2.7
197.13190	2.3
199.11182	3.1
201.12773	10.0
201.16443	3.6
203.14323	15.4
207.12073	1.9
207.13762	10.6
209.13210	3.9
209.15233	2.0
211.14787	5.0
213.12680	2.2
216.15030	1.8
219.13852	4.1
221.15358	75.2
222.15616	3.2
223.14728	2.1
229.15898	6.1
231.13812	2.0
234.16168	12.3
269.18631	2.4
271.17001	2.1
286.19296	5.0
287.20154	8.4
300.20895	3.0
311.20016	3.1
323.36124	2.0
329.21155	5.8
391.26184	7.2
409.27371	45.8
410.27634	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.3
57.07079	17.7
67.05507	19.5
69.07063	41.5
69.25618	11.5
69.26028	23.3
71.08646	8.8
71.91402	4.6
79.05506	23.3
81.07067	46.6
83.08618	25.3
85.10207	6.6
91.05492	31.6
93.07042	45.1
95.08608	48.6
97.10163	5.5
105.07043	41.6
107.08599	77.7
109.06593	4.7
109.10149	30.9
117.07047	10.0
119.08575	36.7
121.10151	33.9
123.08082	5.8
123.11694	8.8
129.07033	12.7
131.08589	20.2
133.10139	31.1
135.11719	19.8
137.13318	6.2
143.08588	14.0
145.10115	49.2
147.11690	26.2
149.13252	8.7
151.07556	4.9
151.11127	6.1
151.14864	4.9
155.08572	9.5
157.10135	37.8
159.11726	35.4
161.13275	22.2
163.11301	5.2
163.14818	12.3
169.10130	10.5
171.11728	18.5
173.13289	13.4
175.14902	9.0
181.10211	6.0
183.11697	11.4
185.13342	10.9
187.14815	8.4
191.18034	11.6
195.11696	10.5
197.13298	23.1
199.14822	33.4
201.16249	6.2
209.13361	7.3
211.14845	20.7
213.16447	16.8
223.14925	6.6
231.17505	4.8
251.18024	12.3
265.19498	7.6
269.19058	7.4
272.38174	4.8
285.18546	16.0
307.24167	48.2
325.25256	85.9
326.25751	16.0
391.33749	21.7
409.30780	23.9
409.35178	100.0
410.35135	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	409.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
56.05038	19.7
57.07072	2.1
59.94635	0.8
67.05502	7.3
69.07071	7.8
70.06599	1.3
71.04958	0.8
71.08634	2.4
74.26195	0.7
79.05498	1.1
80.25366	0.6
81.07059	1.9
91.05491	4.3
93.07038	3.1
95.08607	5.5
107.08620	0.9
108.53464	0.7
109.10162	13.7
111.08132	1.3
111.11714	1.7
116.72354	0.7
119.08577	3.9
125.09638	1.2
136.11215	3.1
137.09634	3.5
145.95598	0.7
148.11214	0.7
150.16031	0.9
153.73965	0.7
153.92039	0.7
154.12271	100.0
155.12616	3.3
171.14931	68.3
172.15269	2.2
219.07663	0.8
332.63470	0.8
409.37744	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22223	1.1
54.60850	1.1
55.05503	3.9
57.07083	38.3
67.05503	2.0
69.07075	4.0
69.36710	6.4
71.08636	26.2
73.06545	5.9
78.29361	1.1
79.05507	3.1
81.07063	3.3
83.08620	2.9
84.30344	1.1
85.09721	1.8
85.10192	21.0
89.06037	100.0
90.06390	1.3
91.05503	3.8
91.07577	1.1
92.05838	2.2
93.07050	5.1
95.04980	5.9
95.08611	3.4
96.05299	1.4
96.08966	1.1
97.06519	1.6
97.10171	3.6
99.11745	3.7
105.07050	7.7
106.07358	2.9
107.07079	3.5
107.08625	1.8
109.06533	2.0
117.09105	1.4
119.08601	5.9
120.08931	2.8
121.06518	1.9
121.10150	1.4
123.08071	1.4
130.08656	1.7
132.08934	1.4
133.08611	46.1
133.10098	2.5
134.10524	1.2
137.76120	1.2
144.08963	1.4
145.10147	4.0
146.10477	1.9
147.08043	1.8
147.11728	1.8
148.11990	1.7
151.07574	2.7
151.09709	3.7
152.07939	1.3
155.17978	2.6
157.10141	1.6
165.09178	3.1
166.09447	1.4
170.10489	1.7
172.11964	1.8
175.11203	2.2
176.15359	1.2
177.11220	11.1
183.11682	1.8
189.99033	1.3
195.12254	2.8
199.20673	3.5
221.15405	2.1
222.15732	4.6
239.14886	24.9
243.23221	5.5
287.25934	1.5
308.13632	1.4
393.32092	18.1
394.32663	1.4
410.27585	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	410.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41029	2.1
69.41425	4.7
87.01438	0.9
94.93037	4.2
98.23304	2.2
108.29154	1.1
204.87010	2.6
206.86842	1.3
230.92229	65.2
318.93799	48.3
319.94260	1.8
354.80292	1.2
410.98557	100.0
411.99084	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	411.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79115	26.4
69.97919	34.1
69.98266	94.7
79.35396	31.1
96.83350	29.3
207.93089	34.6
230.92258	65.0
318.93808	64.5
366.34549	38.6
375.87402	39.6
410.98492	100.0
411.03485	53.9
436.86017	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	17.6
69.03438	1.3
71.08635	21.1
71.28432	1.4
72.04514	1.6
72.08944	1.8
74.06100	1.3
75.85751	1.2
79.96539	1.2
84.08155	2.0
84.96051	1.5
85.02903	2.2
86.09710	1.6
88.11271	100.0
89.11140	1.3
89.11591	7.7
90.05560	5.6
91.05515	1.7
95.52509	1.1
97.02914	1.3
97.70335	1.1
98.96933	2.0
98.97585	35.6
98.98199	2.4
107.04945	1.3
116.98642	16.0
121.06509	10.8
130.06549	2.2
131.07034	5.7
134.99666	6.3
138.09195	1.7
146.05940	1.3
147.04411	4.5
158.06047	6.3
158.99619	6.4
159.06377	3.1
163.03957	1.7
173.07164	3.1
175.00674	2.7
177.00694	9.1
193.01744	3.6
203.13925	1.6
209.01237	2.7
211.02805	3.0
223.47115	1.4
226.87604	1.3
227.02440	1.5
237.00691	10.2
239.00716	2.0
247.04419	3.4
249.14462	5.5
255.01775	22.8
262.09235	1.5
267.00323	8.6
273.02814	16.1
279.01697	2.0
285.01321	3.7
297.02737	9.5
298.03238	1.4
315.03763	1.7
387.07458	1.3
393.07654	2.2
409.35983	1.3
411.03265	2.1
411.14725	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	411.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32853	0.9
53.03941	0.9
68.99800	7.6
69.03442	1.9
70.04523	1.9
70.04848	0.8
71.01344	0.8
79.05527	1.0
81.03422	1.4
81.07050	1.0
91.05490	1.9
93.07058	1.2
95.04969	8.4
103.05495	1.2
105.07049	1.5
109.02891	2.2
111.00807	2.2
111.04451	2.0
113.02322	1.0
113.05987	0.8
115.05469	1.3
117.03407	2.9
117.07018	1.3
119.04913	1.4
119.08540	1.4
121.02864	1.5
121.06557	1.5
121.10184	1.3
123.04438	40.0
131.04945	1.6
131.08597	1.4
135.04414	4.7
137.02411	1.1
137.06006	3.2
139.00302	3.9
143.04916	1.6
145.02852	4.3
145.06512	1.3
147.04433	9.4
149.06053	1.1
153.01920	1.2
155.03864	0.9
155.04912	5.1
159.04419	1.6
161.06021	2.2
163.03922	47.7
164.04344	2.0
165.05472	8.6
173.06006	4.4
177.05492	1.9
183.04482	4.4
187.03900	4.4
201.05527	9.8
205.05074	2.3
211.03897	1.9
219.06541	5.1
229.05043	3.5
241.08733	1.0
246.69426	1.0
247.06032	100.0
248.06407	5.1
273.04025	3.1
273.07602	2.4
291.05035	1.6
299.05484	13.8
309.29218	1.0
351.08719	6.1
393.09637	1.9
411.19824	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	411.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05575	0.7
65.03936	1.7
67.05465	0.6
68.99797	7.9
69.03419	1.1
70.56778	0.9
73.88770	0.6
79.05519	1.0
81.03419	1.2
91.05476	3.9
93.03407	2.1
93.06952	0.6
95.01337	1.4
105.07043	1.1
107.04942	1.5
109.02870	1.7
111.00806	1.3
111.04443	8.4
113.02371	1.7
115.01004	0.6
115.05493	1.3
117.07038	0.6
119.04948	8.0
119.08575	0.7
121.02864	1.5
121.06530	4.3
123.04431	1.9
129.07007	2.0
131.04874	0.9
133.06442	1.6
135.04465	0.8
135.08083	0.8
137.02342	6.4
139.00241	3.1
139.02911	1.1
139.03914	16.1
145.06508	2.1
147.04417	52.1
148.04745	1.8
157.06496	9.9
161.02344	1.2
161.05962	0.7
163.03920	4.0
171.04405	5.4
175.07600	1.2
181.04985	4.9
181.06378	1.1
185.05986	6.1
186.06442	0.8
189.05554	3.2
203.07057	8.5
204.07492	0.7
207.02870	1.3
213.05467	4.7
231.06540	100.0
232.06850	5.4
236.06375	1.7
241.08641	0.8
247.05986	2.2
249.07678	0.8
249.14873	0.7
257.04385	1.0
257.08102	3.6
275.05533	1.1
283.06003	9.7
284.06235	1.4
351.08701	3.1
369.38315	0.7
393.09738	2.7
411.19705	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	411.1076
Annotation	Epicatechin 3-O-p-hydroxybenzoate
Peak:m/z	Relative Intensity
55.01873	0.7
67.05523	0.9
68.99794	8.8
69.03413	1.8
70.86584	1.4
71.01340	0.7
77.03886	0.7
79.05479	0.9
81.03389	1.1
81.07033	0.9
89.03909	1.9
91.05476	2.3
95.01334	1.9
95.04971	8.1
103.05484	0.8
107.04929	0.7
109.02885	1.9
111.00811	2.6
111.04456	0.9
113.02406	1.2
115.05462	1.6
117.03391	2.6
117.07042	0.8
119.04955	2.3
119.08559	0.8
121.02831	1.9
121.06470	1.2
123.04436	40.7
124.04785	0.8
131.04926	3.2
133.36282	0.7
135.04407	6.3
137.01434	0.7
137.02361	1.8
137.06012	2.1
139.00266	4.3
143.04912	2.3
145.02882	5.2
145.06450	1.8
147.04424	12.8
153.06992	0.8
155.04951	4.9
157.01266	0.8
159.04402	1.9
159.11711	1.1
161.05980	3.9
163.03912	65.6
164.04199	1.7
165.05482	9.4
173.05992	5.6
177.05489	2.0
183.04414	5.9
187.03865	5.2
197.05998	1.1
201.05479	10.4
205.05022	2.3
211.03894	1.9
215.03471	1.1
219.06496	5.1
225.05382	1.6
229.04915	3.9
241.08704	0.9
247.06027	100.0
248.06438	5.3
253.04956	0.8
257.04373	0.7
273.03931	3.1
273.07523	2.3
291.04916	1.2
299.05508	15.0
300.05878	1.3
351.08676	6.8
369.33005	0.6
387.13397	0.7
393.09442	1.6
405.96338	1.1
411.19760	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	411.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.8
55.01868	1.0
62.06089	0.8
65.03949	1.4
68.99791	9.7
69.03418	2.8
70.16180	1.6
81.03404	1.3
81.07063	1.1
85.02883	0.7
91.05476	4.5
93.03420	1.3
93.07021	1.0
93.46768	0.6
95.01321	1.0
95.08599	1.1
97.30751	0.5
105.07009	0.9
107.04928	1.9
107.08560	0.8
109.02881	1.2
110.03694	0.6
110.54717	0.6
111.00809	1.4
111.04441	8.4
113.02357	1.0
115.05447	1.2
117.06982	1.1
119.04945	10.5
119.08543	1.5
121.02856	0.8
121.06506	5.5
123.04468	0.7
123.08067	0.6
125.53920	0.6
127.03870	0.9
128.06224	0.9
129.06978	1.6
133.06445	1.4
135.08049	1.4
137.02341	7.5
137.05905	0.9
138.10426	0.6
139.00252	2.2
139.03900	15.5
139.05128	0.9
139.05435	1.0
139.52100	0.5
143.05000	0.6
145.06496	3.0
147.04408	68.7
147.08044	1.3
148.04739	2.3
155.06001	0.7
157.06496	10.6
159.11731	0.6
161.02342	1.6
161.05936	1.7
163.03947	3.7
171.04419	7.1
175.07578	0.9
181.04942	3.6
181.06386	0.9
185.05972	6.3
189.05444	3.8
195.04439	0.7
203.07011	9.3
207.02908	1.7
213.05457	4.7
213.12621	0.9
215.86165	0.6
215.89420	0.6
231.06519	100.0
232.06853	5.6
241.08751	1.1
248.80252	0.8
249.14900	1.0
257.04501	1.5
257.08075	4.4
283.05972	13.1
351.08551	4.8
353.63315	0.7
360.06592	0.6
393.09567	3.8
404.58145	0.5
411.17706	16.3
412.19028	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	411.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41429	0.3
65.26379	0.4
69.13145	0.4
69.13790	2.2
82.61510	0.3
87.88522	0.3
87.96117	0.3
90.32749	0.3
94.10403	0.4
111.15332	0.3
119.04890	0.4
123.04406	1.9
131.04987	0.3
143.05046	0.4
161.05946	0.5
163.03909	0.7
185.04248	3.5
189.05260	4.6
204.70517	0.4
207.06493	0.7
248.06549	2.0
249.07350	8.9
258.05127	0.4
259.05991	1.4
267.08429	0.5
381.11731	0.9
385.19516	0.4
411.12659	100.0
412.07809	0.5
412.13077	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	411.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12226	0.6
55.01892	0.9
56.40561	0.6
56.45115	0.6
60.24866	0.6
70.29554	0.6
70.77697	0.6
70.80143	1.6
71.86330	0.6
73.02870	0.6
81.04549	3.0
99.05584	2.1
103.36910	0.7
119.05046	0.6
123.04454	4.6
135.04468	1.0
137.02354	0.9
147.04442	1.4
151.03976	1.2
161.06041	1.2
163.03877	3.3
185.04224	3.1
185.05820	0.7
187.04089	0.8
205.36717	0.8
207.06607	1.1
213.05435	1.0
249.07362	44.7
250.07747	3.0
259.06009	5.7
265.06790	1.5
273.07535	1.6
349.91187	0.7
350.84979	0.7
381.11697	4.1
382.12173	0.9
411.12665	100.0
412.13058	9.1
412.18835	1.3
416.92154	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52813	0.4
57.49702	0.4
64.28419	0.3
70.06590	0.5
70.56887	0.7
73.89050	0.3
83.15114	0.3
84.30005	0.4
88.65204	0.3
159.44801	0.4
212.84810	0.4
249.11086	1.4
331.41595	0.4
355.54114	0.4
411.16245	100.0
412.16568	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	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67999	0.5
55.05524	0.8
70.06578	0.7
70.84641	1.0
84.08929	0.7
97.16154	0.7
101.29382	0.5
118.01259	1.3
121.34384	0.6
128.92125	0.6
146.00703	1.0
164.01805	1.5
165.02106	0.8
203.05273	27.8
231.09952	5.3
263.44806	0.5
264.10980	0.7
265.11105	1.0
288.36853	0.6
336.14780	0.7
350.61905	0.5
367.17624	0.6
390.78070	0.6
411.16275	100.0
412.16653	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	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16423	0.3
69.20496	1.7
69.20903	0.5
75.43214	0.3
98.22599	0.7
110.26402	0.3
160.13794	0.4
175.34285	0.3
185.04207	5.0
222.14964	0.3
239.02182	0.3
249.10980	100.0
250.11331	5.4
319.51895	0.4
411.16232	30.4
412.16611	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	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08395	1.1
69.81274	2.8
70.06590	0.9
76.74170	0.8
78.76453	0.9
80.86264	0.8
86.52090	0.9
87.51309	0.8
98.23311	0.9
114.91515	1.0
185.04214	2.4
223.24493	0.9
241.87816	0.9
249.10992	100.0
250.11307	6.2
411.16211	56.2
411.21677	1.4
412.16473	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	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30694	0.6
54.36885	0.6
69.82397	2.2
94.19344	0.6
95.35793	0.5
98.22710	1.0
101.98942	0.6
176.22479	0.6
185.04173	1.6
204.63318	0.6
211.47757	0.7
241.12726	0.6
249.10992	100.0
250.11313	6.3
260.00684	0.6
351.14200	2.3
411.16248	70.8
412.16620	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	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74836	0.6
67.12424	0.6
69.81884	1.3
78.76470	0.8
86.07242	0.6
108.83421	0.7
185.04193	2.0
249.10977	100.0
250.11261	4.4
351.14246	1.4
411.16238	68.4
412.16461	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	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02317	0.3
70.06595	0.9
71.37428	0.6
93.07052	0.4
116.99671	0.3
177.96217	0.4
185.04390	0.5
203.05255	1.1
252.31693	0.4
277.47531	0.3
332.16415	0.3
365.83499	0.4
411.19949	100.0
412.20239	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	411.199
Annotation	Flumethasone
Peak:m/z	Relative Intensity
50.13601	0.2
61.37193	0.2
67.05521	0.2
69.03433	0.5
69.49338	0.8
73.28369	0.2
77.73421	0.1
79.89683	0.2
81.17373	0.1
83.08631	0.2
86.09695	0.4
95.97786	0.2
100.11269	0.2
104.25743	0.1
105.07038	0.2
107.08578	0.4
120.08120	0.2
124.03953	1.9
124.04823	0.2
133.94035	0.2
135.08064	0.2
173.09387	0.3
184.07404	0.8
203.05286	3.6
231.13565	2.2
249.14534	0.9
254.99208	0.2
291.06851	0.3
316.64441	0.2
353.15717	9.1
354.15958	0.6
393.18912	1.1
411.19891	100.0
412.20242	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	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02317	0.3
70.06595	0.9
71.37428	0.6
93.07052	0.4
116.99671	0.3
177.96217	0.4
185.04390	0.5
203.05255	1.1
252.31693	0.4
277.47531	0.3
332.16415	0.3
365.83499	0.4
411.19949	100.0
412.20239	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	411.1991
Annotation	Flumethasone
Peak:m/z	Relative Intensity
51.35851	0.3
52.13861	0.3
53.04371	0.2
60.84073	0.2
69.03426	0.7
78.13039	0.2
80.28013	0.3
82.63939	0.3
98.22632	0.7
175.32014	0.3
213.12756	0.2
243.81332	0.3
244.66324	0.2
249.14627	3.1
289.72211	0.3
411.19897	100.0
412.20255	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	411.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.2
57.03440	7.5
67.05510	45.4
69.07064	24.8
71.28565	7.5
74.58080	7.0
79.05492	27.9
81.07054	87.6
83.04987	10.8
83.08611	15.6
88.05184	6.7
91.05480	46.0
93.07034	37.3
95.04989	15.9
95.08617	93.1
97.06538	21.7
105.07029	100.0
106.07378	19.7
107.08608	21.1
109.06510	10.3
109.10146	17.3
113.09678	9.4
117.07020	8.2
119.08577	46.1
121.10159	21.4
122.09667	19.5
123.08096	12.4
123.09982	7.5
123.11720	12.4
131.08549	7.0
133.10109	27.8
135.11702	20.1
137.13257	19.9
161.13271	66.0
165.12747	19.0
166.13156	15.5
179.14331	58.1
197.15376	11.7
312.51776	8.2
330.17505	7.4
394.80090	7.9
411.30872	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	5-Dehydroavenasterol
Peak:m/z	Relative Intensity
55.05509	15.8
57.07089	19.1
58.74403	3.3
58.79265	3.4
61.58827	3.0
67.05502	29.5
67.55277	3.3
68.50283	3.3
69.07069	36.4
69.32737	26.4
71.08636	21.7
79.05502	19.5
81.07054	54.6
83.04980	6.5
83.08625	14.9
85.10184	10.6
87.38641	3.4
89.80024	3.2
91.05473	21.8
93.07031	26.4
95.08606	63.8
97.10207	17.7
105.06462	4.5
105.07046	43.9
107.08600	22.1
109.10130	24.5
111.11713	8.8
117.07017	15.6
118.07342	4.4
119.08595	26.3
119.47635	3.4
121.06538	6.1
121.10139	18.3
123.11721	11.9
129.07010	10.5
131.08563	19.0
133.06441	3.8
133.10117	22.1
135.11699	13.3
137.13239	11.7
141.06856	3.3
142.07793	13.5
143.08603	18.3
145.10133	37.1
147.11714	22.5
149.13284	9.7
155.08575	5.8
157.10144	35.1
159.11690	28.3
160.08968	4.2
161.13293	5.5
169.10184	5.2
171.11685	11.9
173.13280	11.3
175.11179	26.6
177.12782	6.6
183.11665	7.2
185.13261	10.4
187.14905	7.4
189.12817	6.2
197.13245	8.4
199.14807	10.0
201.16359	5.9
204.56339	3.4
208.22966	3.6
211.14832	8.0
213.16360	9.5
225.16370	8.1
229.15895	3.8
239.17921	7.7
253.19521	14.0
257.19034	3.8
267.21027	4.5
281.22592	4.7
299.27463	4.3
383.36444	4.8
393.35086	44.8
411.17270	14.9
411.36221	100.0
412.36633	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	411.3623
Annotation	4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05511	21.1
57.07077	25.5
67.05521	29.3
69.07074	31.9
71.08640	12.5
76.84706	5.3
79.05502	45.7
81.07066	59.6
83.08641	19.5
85.10206	8.0
91.05484	35.6
93.07079	28.7
95.08617	67.6
97.06532	13.7
97.10180	12.8
103.05506	10.5
105.04510	6.9
105.07041	69.5
107.08592	37.7
108.23643	6.0
109.10158	39.5
117.07047	11.5
119.08604	40.5
121.06576	7.7
121.10163	14.6
123.11704	19.6
129.07040	13.0
131.08591	23.6
133.10127	44.8
135.11707	20.3
141.07083	6.7
143.08589	26.8
145.10124	57.9
147.11708	25.4
149.13278	14.2
155.08592	10.3
157.10196	29.5
159.11743	45.3
161.13304	17.4
163.11125	6.1
165.07011	12.2
166.07822	11.9
169.10155	11.4
171.11699	14.9
173.13358	14.5
175.14928	7.6
179.08588	22.8
180.09288	8.0
183.11650	12.4
185.13264	31.4
187.14781	6.6
193.79944	6.7
194.10994	9.9
197.13319	15.2
199.14861	18.1
199.93358	6.7
201.16429	6.9
211.14899	12.9
213.16486	13.2
217.16025	6.0
217.19711	6.3
225.16501	13.3
239.17940	10.9
253.19563	21.2
257.19193	6.7
309.25851	11.4
393.35208	100.0
394.35410	10.8
411.17291	84.6
411.36307	88.1
412.17694	11.0
412.36826	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	412.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.25935	0.7
59.16041	0.7
64.19796	0.8
67.97910	0.8
69.05656	5.8
85.02891	3.8
91.05462	3.6
93.07037	6.6
97.02894	1.6
100.66165	0.7
103.05462	4.8
113.02368	90.2
114.02700	1.3
121.06505	100.0
121.60254	0.7
122.06842	2.7
138.09138	20.1
145.04988	1.0
233.02892	0.9
246.70818	0.7
275.07465	1.0
321.98886	0.8
395.05688	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53156	3.2
55.01862	10.3
55.05511	9.5
56.27363	3.2
57.03445	19.0
61.02915	10.5
67.05515	4.6
69.03436	28.2
70.06582	4.5
71.01376	3.5
71.04980	7.3
73.02910	21.3
80.05020	3.6
81.03418	7.4
81.07071	4.1
83.08623	8.2
85.02908	100.0
86.09702	22.7
91.03947	5.3
95.04982	3.3
97.02897	33.9
97.06556	5.1
98.23362	7.6
99.04472	7.4
101.09679	4.5
104.10722	7.4
106.02912	3.2
109.02850	5.1
110.07185	5.0
115.03946	19.6
115.07542	4.2
121.06480	5.0
124.03957	59.2
125.00018	13.4
127.03918	19.8
132.84785	2.9
133.04973	21.6
135.08054	3.6
136.29340	3.1
139.03917	17.6
139.07581	4.5
145.04974	43.8
145.10161	4.4
153.01865	3.9
163.03912	3.6
163.06053	14.1
184.07352	52.5
191.44673	3.0
209.11794	3.8
263.14890	6.9
289.06906	4.1
346.37524	3.2
412.20407	13.6
438.18295	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.8
57.03442	29.1
59.04989	4.3
59.34349	2.5
61.02927	6.8
69.03431	83.4
70.06589	2.2
73.02913	7.3
79.05518	3.0
81.03419	5.0
81.07048	2.6
83.08644	4.7
85.02906	90.8
85.50186	2.4
86.03242	2.3
86.09707	8.6
87.04470	53.6
87.04974	4.1
88.01970	2.3
91.03943	3.7
91.05497	3.6
97.02889	67.4
98.23461	3.8
99.04462	3.4
103.03973	2.8
104.10756	12.1
109.02914	3.8
115.03932	87.6
123.01849	2.6
124.03924	3.4
124.15031	2.6
125.00008	3.4
127.03910	16.3
131.04851	3.2
133.04964	100.0
145.04974	23.8
146.05276	2.9
150.07657	10.7
163.05954	13.7
167.10652	5.7
169.04944	2.6
184.07417	10.1
205.12323	3.1
227.12700	3.3
228.88591	2.3
241.06860	3.2
245.13795	2.9
263.15027	3.2
311.10614	2.5
412.20947	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	413.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	1.0
71.30494	0.6
71.59660	0.7
92.30802	0.6
102.05534	0.7
102.87513	0.7
110.40954	0.6
117.03336	0.7
120.06566	1.1
136.06187	13.6
145.02901	0.9
162.04120	9.0
162.62401	0.7
175.36224	0.7
177.05466	1.1
232.80731	0.6
251.08984	1.2
281.09900	6.0
309.41400	0.7
413.10513	100.0
414.10907	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	413.1208
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
65.48766	0.4
66.92233	0.3
69.03451	0.3
69.24061	0.4
70.49695	1.1
79.76196	0.4
98.23178	0.4
107.04958	2.9
117.07034	0.5
131.08572	0.4
160.35550	0.4
185.04271	2.1
205.91132	0.4
251.06830	0.6
369.13184	0.5
413.12061	100.0
414.12350	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	413.1209
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
60.88582	10.4
70.06587	16.2
70.83662	20.8
72.08167	14.5
73.05177	9.7
92.50759	11.1
95.06103	28.3
121.06499	10.6
123.04453	20.8
139.03902	19.2
141.06616	24.3
153.01901	10.5
413.11957	100.0
413.17157	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.54765	0.4
54.23679	0.4
56.05052	0.6
69.52503	0.3
70.06603	0.6
71.30579	0.6
71.64180	0.4
74.06093	2.3
80.07693	0.4
95.87495	0.4
102.05534	0.8
104.19582	0.4
117.03397	0.4
119.03541	2.8
120.06579	8.4
121.09962	0.4
136.06190	100.0
137.04588	1.7
137.06497	1.5
145.02835	1.0
162.04117	65.2
163.04460	1.1
177.05519	1.8
236.29507	0.4
251.08974	0.9
252.12259	0.7
266.42438	0.4
268.10248	0.5
281.09943	45.3
282.10205	1.7
311.49942	0.4
322.68762	0.5
413.14093	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	413.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58460	0.4
52.88184	0.3
63.01814	0.4
69.86526	0.8
69.86898	1.3
71.71925	0.4
129.43147	0.4
185.04230	1.7
189.05222	6.3
235.05852	0.7
237.32451	0.4
241.37538	0.4
250.08131	5.7
251.08902	8.7
305.37531	0.4
372.07901	0.4
381.11270	0.4
382.12363	0.6
383.13416	0.6
413.14185	100.0
414.14514	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	413.1784
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.52806	0.5
61.85162	0.4
67.05499	0.7
69.03437	0.8
69.25340	3.4
79.05488	0.6
79.29256	0.6
84.04491	0.7
85.02896	0.7
87.78078	0.5
91.05486	0.6
93.07036	1.0
98.23360	0.6
104.65981	0.5
105.07045	1.0
107.08594	0.6
119.08641	0.5
121.49052	0.5
127.21960	0.5
145.10091	0.8
154.24532	0.5
159.11671	0.5
185.04211	7.0
187.48334	0.7
251.12549	100.0
252.12863	5.3
293.14127	0.5
413.17734	46.2
414.18240	4.1
414.23264	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	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
69.96411	1.6
70.22514	0.4
76.84582	0.4
79.74628	0.5
81.07049	0.7
81.85065	0.4
85.02950	0.5
91.05499	0.8
97.02918	0.6
105.07027	0.7
114.09169	0.6
116.72783	0.5
121.03015	0.5
121.06529	0.9
131.08545	0.6
142.45660	0.5
161.05946	0.5
177.05479	1.1
185.33571	0.5
203.05284	3.6
223.00621	1.9
233.15161	9.0
251.12697	0.5
251.16171	2.8
305.19385	0.5
353.06390	0.7
372.05243	0.6
413.21481	100.0
414.21829	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	413.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
67.05504	0.4
69.03445	0.4
71.32119	0.5
74.31286	0.3
79.41451	0.3
81.07075	0.4
91.05466	0.3
100.11266	0.6
105.07062	0.5
111.04459	0.4
119.08598	0.6
123.11670	0.3
148.62231	0.3
191.04147	0.4
203.05368	0.4
210.15005	0.4
233.15219	0.7
250.58197	0.3
251.16197	1.5
320.89822	0.3
413.21432	100.0
414.21832	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	413.3414
Annotation	Tylopiol A
Peak:m/z	Relative Intensity
51.69730	1.5
55.05515	14.5
57.07079	11.9
58.61239	1.4
66.40259	1.4
67.05494	6.3
69.07072	100.0
70.07381	1.8
70.32417	1.6
71.08640	3.2
71.30780	1.8
79.05505	6.6
81.07054	11.5
83.05010	3.6
83.08622	63.9
83.56795	1.6
84.08951	1.7
91.05466	2.0
93.07039	9.7
95.08620	12.1
97.06546	17.1
97.10144	3.3
105.07017	9.3
107.08613	10.8
109.06521	7.4
109.10155	5.8
117.06939	1.5
119.08591	6.9
121.10203	3.6
123.08083	2.6
123.11749	3.2
125.13270	16.7
131.08582	3.5
133.10165	6.2
135.11696	28.4
137.13232	2.8
142.07834	1.8
143.08534	3.1
143.14320	10.8
143.47456	1.6
145.10130	5.5
147.08084	2.1
147.11726	4.5
149.13281	2.3
157.10178	3.5
159.11702	2.2
161.09642	5.1
161.13290	3.1
163.11134	3.1
163.14848	2.4
171.11780	3.3
173.09587	7.6
175.11226	4.7
175.14818	2.3
183.11732	2.0
185.13216	2.1
187.11212	2.8
213.16449	3.0
227.14500	1.8
253.19446	7.7
259.24277	4.2
271.20587	42.0
272.20969	3.0
377.53571	1.6
395.33139	11.2
413.13867	4.3
413.34146	71.2
414.14465	1.9
414.34467	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	414.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01859	1.3
55.05510	6.3
58.99590	11.8
67.05517	2.4
69.03432	100.0
69.07064	2.6
70.03771	1.9
70.06601	3.1
70.44427	2.8
74.00655	4.9
75.02705	1.3
76.02232	60.3
79.05519	2.6
81.03432	1.4
81.07056	5.6
82.06602	1.5
83.04987	6.4
83.08629	2.9
84.04520	2.1
86.09731	1.3
87.00840	3.9
91.05483	2.4
93.07051	4.4
94.72963	1.0
95.08633	2.1
97.02902	1.0
97.06523	2.3
98.00646	3.3
99.02690	2.2
99.04441	1.6
100.02211	9.2
100.07588	1.4
100.11256	11.9
101.00611	3.8
101.11574	1.6
102.00124	12.4
102.03792	2.2
105.07059	4.6
107.08617	3.9
109.02882	2.2
109.06524	2.6
109.10175	3.3
110.02439	1.2
110.06065	1.9
111.04469	2.3
113.00611	1.1
114.03571	1.1
116.01694	3.0
117.00102	3.9
119.08598	3.1
121.06512	3.3
122.02729	1.6
123.08070	2.4
127.02168	4.2
127.03906	2.2
127.09578	1.0
128.03433	5.1
128.07127	1.6
131.08546	1.2
133.10167	1.3
137.09538	1.2
139.11185	28.2
140.07010	1.1
140.11513	1.4
141.11488	1.9
141.61658	1.3
144.01146	48.0
144.04793	35.9
145.05096	1.6
145.10190	1.6
146.04501	2.6
147.11697	8.4
148.04285	1.1
151.07516	9.2
162.02209	56.4
163.02524	1.8
165.09111	2.3
165.12766	3.8
166.03288	1.7
170.02753	3.0
170.06020	1.1
172.00682	2.4
174.04004	2.5
175.11205	2.2
182.15356	6.1
183.04813	2.9
183.10216	2.8
183.15710	1.6
189.12839	1.9
190.01686	16.5
193.12268	3.4
194.02675	1.2
207.13812	55.9
208.02721	1.4
208.14203	4.4
210.14911	7.7
211.15234	1.3
212.03755	18.4
217.12277	3.6
229.14415	1.5
230.04823	13.5
235.13365	3.3
239.11008	6.7
248.05914	15.2
253.14467	2.2
264.14212	1.3
268.21429	1.8
268.71860	1.4
269.61276	1.1
282.12207	0.9
282.15277	6.6
324.16254	2.3
328.15942	5.4
332.24869	2.9
341.25189	1.3
350.14169	10.2
352.15744	1.2
368.15173	1.7
378.13809	7.0
396.14761	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	414.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69920	0.4
53.03952	0.6
55.84589	0.4
57.41035	0.4
78.11912	0.3
79.05489	3.0
84.85056	0.3
86.35805	0.4
95.04981	0.5
103.05467	2.1
105.07033	100.0
106.07351	3.0
122.09670	51.5
123.10029	0.9
128.19939	0.4
148.97446	0.4
158.65498	0.4
164.82422	0.4
165.35880	0.3
378.59607	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	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	24.2
61.02924	10.5
64.41298	4.5
69.03429	63.2
70.06586	28.8
71.28574	4.5
72.08182	4.5
73.02923	34.1
81.03440	6.6
81.07033	5.7
85.02907	100.0
86.09712	14.2
87.04472	36.5
97.02899	55.0
107.08581	4.7
109.02898	9.7
115.03931	54.7
120.08117	6.8
127.03892	20.5
132.73587	4.0
133.04968	58.6
133.05981	8.3
136.07567	7.2
138.05508	17.4
139.61407	4.0
144.01155	4.9
145.04982	49.2
150.07629	10.7
153.21828	4.9
162.02193	6.5
163.06023	18.3
190.01620	5.3
207.13783	5.0
257.61945	4.8
377.01788	35.1
395.02786	8.4
396.07880	11.0
414.12805	5.7
414.21509	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	414.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72788	0.8
55.05282	1.0
55.05518	16.1
55.54522	0.8
57.07077	11.5
58.06595	2.0
62.46040	0.8
67.05505	2.6
69.07072	29.2
70.07391	1.0
71.08635	9.2
74.65477	0.8
77.00455	0.8
80.31866	0.7
81.07056	4.6
83.08624	22.9
84.08960	1.0
85.10196	4.3
93.07073	1.9
95.08596	3.8
95.60896	0.8
97.10175	19.2
98.23459	1.9
102.05547	15.9
104.07106	100.0
106.97109	1.0
107.08601	3.0
109.10172	1.3
111.11706	9.5
119.08588	1.5
121.10133	1.4
123.11726	1.3
125.13277	2.4
135.11655	0.9
139.14828	1.0
153.16393	1.1
161.04881	0.7
163.14844	1.0
183.44888	1.0
209.19113	0.8
224.27780	0.8
240.19684	0.8
275.27350	3.8
293.28378	8.6
364.31985	1.1
396.34668	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	415.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
58.99877	2.4
69.03437	4.9
70.06603	5.4
70.33007	1.9
70.33334	1.1
71.05011	1.7
71.07109	1.0
77.00930	1.7
81.03424	2.8
83.49068	1.2
84.08160	1.6
85.02923	8.5
86.99316	1.3
97.02905	10.9
101.00888	12.4
109.02909	2.3
110.07196	2.3
113.00874	5.3
115.02470	2.9
116.07117	2.2
119.01923	27.2
120.02013	1.7
121.06509	8.4
127.02452	4.1
127.03932	1.3
131.01918	16.0
131.02811	1.4
133.03513	2.5
136.06161	1.1
137.02972	4.8
138.09125	2.3
139.02397	2.9
143.01959	5.2
145.03474	20.1
145.04727	1.4
145.05046	1.1
147.01428	1.6
149.03001	1.9
153.01817	18.8
155.01904	15.9
157.03503	13.2
159.01402	1.3
160.18044	1.0
161.02977	14.0
163.04605	2.5
167.01865	7.0
169.03444	1.7
173.02986	14.0
174.03185	1.2
175.04518	1.6
181.03557	2.1
183.01389	2.1
185.02969	26.1
187.04576	3.6
192.99879	4.5
195.05017	1.5
197.02950	9.4
203.04013	10.5
209.03073	6.6
211.00890	45.0
211.04306	2.1
212.01111	5.0
212.62907	1.0
215.04060	1.2
221.03114	1.4
221.05029	8.6
223.04572	3.2
224.04839	1.0
225.77820	1.0
227.03957	5.6
228.04207	1.6
229.01933	17.0
235.00925	6.2
235.04529	2.5
236.01250	1.2
237.02538	3.1
239.04022	2.4
244.45053	1.1
245.05089	48.2
246.05283	4.2
247.00833	1.8
247.02994	25.0
247.05354	1.7
248.03268	1.8
249.02525	2.9
251.04128	2.1
253.01997	9.2
253.05649	1.4
255.03674	1.5
261.02484	3.7
263.03940	3.5
263.06247	17.9
264.06552	1.7
265.01971	3.3
267.03619	4.0
271.03073	12.9
277.01993	3.1
279.03552	3.4
283.06631	2.4
285.04562	4.1
289.01929	3.2
295.03070	8.5
297.04529	3.7
307.02975	18.0
308.03247	2.3
311.06165	10.3
312.06268	1.2
313.04095	4.9
315.05594	2.9
325.04068	7.2
331.05188	1.5
337.04083	10.4
355.05106	100.0
356.05365	10.9
373.06161	65.5
374.06351	7.8
396.07864	3.6
415.07245	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	415.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01628	0.4
55.01863	6.1
57.92996	0.4
63.72252	0.4
69.03429	0.4
69.07093	0.5
69.32821	1.1
69.33237	1.8
74.24837	0.4
78.04726	0.5
79.05493	1.6
81.07064	0.5
82.02921	0.5
83.04980	0.4
90.04696	0.4
91.05450	2.2
93.07039	0.9
94.04192	1.4
95.04951	0.7
95.08604	0.4
98.22684	0.9
103.05474	2.4
105.07034	4.6
107.04996	0.6
107.08599	0.6
109.06519	12.5
110.06892	0.5
118.04154	2.4
118.06547	2.8
120.04475	1.3
121.06509	31.2
122.06882	0.9
123.08051	0.7
132.04453	4.0
133.06493	59.7
134.06812	2.1
135.06810	0.6
135.08060	1.6
137.05978	42.1
138.06311	2.0
143.07286	0.5
144.05717	1.0
146.02415	0.6
146.06023	2.4
147.08049	0.5
148.07555	0.7
150.09146	19.0
151.07562	1.2
151.09460	0.6
155.07300	0.9
156.04425	0.9
159.08054	3.2
161.05978	7.0
161.09650	0.6
162.06314	0.6
162.09134	0.9
163.73567	0.5
171.06816	0.8
172.07516	1.1
173.05952	0.6
174.05507	19.4
174.07019	1.0
175.05887	0.8
176.07076	2.0
176.10756	1.4
179.07034	20.3
180.07423	0.8
186.09137	7.1
187.07576	4.9
190.08623	0.7
196.09708	1.7
199.06256	1.3
202.04996	36.9
203.05298	1.4
204.10182	4.1
214.08633	26.4
215.07008	1.3
215.08990	1.2
215.87119	0.5
220.06064	11.3
221.06386	0.5
232.09685	100.0
233.10017	5.7
242.08118	1.2
260.09174	19.7
261.09436	1.7
278.10239	50.0
279.10593	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	415.1502
Annotation	2-(5-(phenoxy)-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acid
Peak:m/z	Relative Intensity
52.77803	0.6
53.03946	1.2
55.01867	6.1
55.92079	0.6
56.20604	0.7
58.37387	0.7
65.03939	1.5
67.65343	0.6
69.38223	4.1
72.04526	4.1
73.04765	1.0
74.60722	0.7
79.05479	2.0
81.07064	1.1
82.02962	0.9
85.02920	0.8
91.05471	16.2
94.04128	0.8
94.09872	0.7
95.08616	1.0
98.23289	1.4
100.03984	23.0
103.05475	0.7
105.07001	0.8
107.04951	9.0
107.08620	0.8
109.06526	1.3
119.04946	47.1
120.04491	1.3
120.05276	1.7
121.06519	0.7
125.05924	0.7
131.04936	0.9
132.04453	4.1
136.07578	21.2
137.05980	68.6
138.06310	2.9
145.06499	2.7
146.06006	2.3
147.04410	11.9
147.08012	1.0
149.06042	1.2
151.07570	3.0
158.05994	1.5
162.05515	2.0
167.07069	3.1
172.07570	9.6
173.05940	4.7
174.05496	19.0
175.05829	1.5
177.05450	1.3
179.07034	21.7
181.04971	4.5
190.08675	3.0
195.06491	4.3
196.09685	4.6
200.07082	30.9
201.05486	2.0
201.07471	2.4
202.04993	33.9
203.05281	1.2
218.08127	100.0
219.08487	6.8
220.06029	8.3
228.06400	1.0
246.07639	24.2
247.07953	1.5
278.10233	45.9
279.10471	3.1
304.12054	0.8
415.13702	2.1
415.22739	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	415.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
56.96562	11.7
59.04975	1.6
61.62202	1.5
67.05505	3.7
69.03432	4.4
69.07055	1.7
69.08807	4.7
69.09226	7.5
72.96055	2.2
74.14533	1.6
79.05492	4.1
81.03416	4.8
81.07047	7.2
83.04982	2.9
83.08613	1.9
85.02896	2.1
86.45763	1.5
91.05481	2.7
93.07034	7.9
95.08595	2.1
97.02834	1.7
97.06518	3.9
98.97585	16.3
99.04453	2.7
105.07040	6.2
107.08580	5.3
109.02853	2.0
109.06506	3.7
109.10139	3.4
115.66939	1.7
116.98617	5.4
119.04910	1.8
119.08610	5.4
121.06528	5.7
123.08031	2.0
125.06018	3.0
127.03891	3.3
127.07547	1.8
133.10104	3.0
134.99603	1.8
135.08057	2.6
139.07513	1.8
143.08510	1.9
147.11664	10.2
157.10143	2.9
158.99643	1.9
160.75464	1.7
165.12733	5.9
175.11159	4.5
177.00862	2.2
183.24493	1.9
189.12715	3.0
193.12225	5.8
199.11057	2.3
207.13846	2.6
217.12312	7.4
235.10045	7.0
235.13261	4.6
241.11102	9.8
253.11130	51.6
253.13951	3.3
254.11504	2.3
259.12143	8.6
271.12164	28.6
295.12119	5.5
313.13217	2.4
345.24310	1.6
384.06479	2.2
415.16507	100.0
416.16895	7.1
416.60321	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	415.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14785	6.5
59.04996	8.6
65.03934	16.2
67.05520	45.9
69.03441	13.1
69.07067	17.0
71.04999	34.3
71.30047	6.8
79.05500	25.4
81.03445	8.3
81.07060	51.6
83.08608	12.8
85.02908	9.7
89.06042	20.2
91.05477	15.2
93.07056	44.7
95.04996	42.4
95.08620	14.2
97.02897	9.3
97.06502	9.7
105.07034	41.1
107.04964	14.9
107.08596	100.0
109.06569	8.3
109.10159	77.4
111.08072	44.0
119.08607	47.0
121.06560	10.1
121.10155	28.2
123.11705	11.0
125.09630	44.2
129.09212	7.6
131.08578	16.9
133.10124	25.1
135.11659	47.1
145.10167	40.3
147.08040	11.4
147.11693	93.0
149.09692	7.8
153.12782	36.0
157.10086	9.3
159.11781	14.8
161.09686	11.8
161.13234	6.7
165.12747	10.8
167.07045	27.4
175.11235	10.6
177.05566	11.2
179.10587	7.7
181.04965	99.4
181.06480	11.2
182.05301	9.1
189.16406	36.3
190.32664	7.2
193.15843	13.7
201.05391	8.3
205.08701	7.7
217.15877	43.7
233.07944	7.0
235.16864	33.2
253.18037	16.6
262.97723	7.2
294.51804	7.1
344.97534	7.1
357.95749	9.0
415.13727	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2326
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
53.03943	1.3
53.83104	0.7
55.05505	1.5
56.51029	0.7
56.96553	1.3
57.03422	0.9
57.07061	1.3
59.05016	0.7
61.02925	0.8
65.03928	1.0
67.05495	1.3
69.03429	3.4
69.07066	1.8
71.04989	1.3
71.30822	1.4
74.78160	0.6
79.05506	6.8
79.14182	0.7
81.03403	1.8
81.07061	4.1
82.04211	0.8
83.04998	1.3
83.08602	2.2
85.02905	7.4
86.09721	1.6
91.05476	3.3
93.07047	4.8
95.04980	1.2
95.08603	2.5
97.02877	2.4
97.06508	0.8
98.97602	1.4
99.04487	0.8
105.07032	6.2
107.04951	8.2
107.08621	6.2
109.02914	1.2
109.06506	0.8
109.10146	3.2
111.08099	1.3
115.05461	1.4
116.98605	2.4
117.07009	1.7
119.08588	5.5
121.06516	1.7
121.10142	6.4
123.04437	0.9
123.08036	1.6
123.11697	1.8
124.05217	1.8
125.06035	1.0
127.03934	0.9
129.06987	0.8
131.08565	2.3
133.10130	6.4
135.08051	1.4
135.11720	3.5
137.05974	1.2
137.09607	1.9
142.09140	0.8
145.06467	1.5
145.10107	1.5
147.08020	1.0
147.11690	7.0
149.13278	0.9
151.11148	2.1
157.10130	2.2
161.05852	0.9
161.13272	2.2
163.11166	5.6
165.12802	1.4
167.07059	17.0
171.11836	0.9
173.06049	0.8
173.13275	1.9
175.11174	6.3
175.14853	3.5
181.04961	11.4
181.06459	1.1
189.16331	5.4
191.14244	1.6
193.12198	1.6
193.15836	1.2
195.06531	2.7
199.14859	1.0
201.05470	2.9
202.04977	0.9
205.08661	1.2
217.08635	1.6
217.15913	5.0
220.07307	0.8
233.08142	5.3
235.09837	0.9
235.16942	16.3
236.17265	1.2
241.48058	0.8
253.17996	100.0
254.18266	5.7
273.49258	0.8
359.23245	2.6
387.14484	5.3
390.99295	1.3
393.98965	0.9
409.00711	1.9
415.13928	1.5
415.22723	1.9
415.71811	0.9
416.20947	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	415.233
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.05502	17.5
58.94857	15.1
67.05512	22.3
69.07075	24.0
69.21326	100.0
71.05006	32.8
79.05502	28.7
81.03432	18.1
81.07069	34.3
85.02932	39.9
86.75328	14.4
87.00825	17.6
91.05468	22.5
93.07072	27.9
95.04978	14.4
95.08599	27.1
97.75010	17.1
98.21638	16.3
98.73071	15.3
98.97603	24.6
99.83147	16.0
99.83948	15.7
105.07027	49.9
107.04950	21.1
107.08611	40.2
109.02889	26.4
109.10155	39.0
117.06983	24.0
119.04972	35.7
119.08591	35.1
121.06532	34.3
121.10169	20.5
123.08040	17.3
127.11226	42.0
135.08081	25.3
137.05975	27.2
145.10129	25.2
147.04485	16.3
157.10271	19.8
161.09688	50.5
167.07059	26.7
167.08511	19.9
181.04962	23.8
200.07097	21.3
217.15965	41.9
218.08199	45.5
235.16995	27.4
264.64383	17.5
278.10214	26.2
313.16217	54.3
344.97729	25.3
345.72934	16.6
397.22516	21.2
415.19452	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
67.05502	6.3
67.55353	2.0
69.07066	2.2
71.04995	3.7
71.27827	2.0
79.05483	5.5
81.07047	7.5
91.05463	15.6
93.07037	11.9
95.04971	2.3
95.08614	7.1
97.10159	3.2
103.05444	2.1
105.07034	17.7
107.08611	9.7
107.29430	1.7
109.06515	31.6
109.10170	9.5
110.74300	1.8
111.08085	5.3
115.05473	1.8
117.07015	5.6
119.08578	100.0
120.08896	3.2
121.10139	8.6
123.08080	3.8
128.06224	2.3
129.06992	3.4
131.08583	9.7
133.06468	2.9
133.10135	22.0
135.08055	6.4
141.07021	3.8
142.07793	3.9
143.08589	9.4
144.09306	2.4
145.10127	9.9
147.08073	2.9
147.11694	5.0
149.09615	12.3
155.08568	7.0
156.09352	4.3
157.10138	12.9
158.10902	2.7
159.08067	2.9
159.11707	4.1
161.09659	3.4
165.06981	2.2
166.07739	2.4
167.08583	2.1
168.09293	3.6
169.10191	9.8
171.11658	6.6
173.09616	7.2
173.13266	7.1
175.11221	2.8
179.08609	4.5
180.09251	2.1
181.10138	9.8
182.10895	2.5
183.11710	9.5
185.09662	2.1
187.11127	2.7
187.14677	2.1
193.10117	8.2
195.11728	9.6
196.12502	4.0
197.09726	2.1
197.13274	6.0
198.14052	6.4
199.11200	5.3
199.14870	2.7
201.12717	2.5
203.08575	2.8
205.10213	2.6
206.10973	4.3
207.11667	9.2
208.12529	2.9
209.13315	6.6
210.10316	1.9
211.11208	2.3
211.14908	8.6
213.16296	1.8
217.12181	1.8
218.10867	2.1
219.11658	6.7
220.12469	4.0
221.13300	5.5
223.11235	3.2
223.14833	3.3
225.12712	2.1
225.16373	2.6
229.10162	4.0
229.16010	3.8
231.11754	6.3
232.12288	3.8
233.13290	8.5
234.14012	3.0
235.14876	5.1
237.12827	3.8
237.16432	1.9
243.11728	6.1
244.12445	5.9
245.13153	9.2
246.13849	2.4
247.14865	6.3
249.12653	3.9
249.16191	2.5
251.14363	3.7
253.10245	2.1
253.15807	4.0
257.13303	4.4
258.14023	3.7
259.14819	10.9
260.15533	3.0
261.16315	4.2
267.17337	2.7
269.13120	3.2
270.14191	2.4
271.14709	4.0
273.16235	5.1
275.14325	2.9
275.18033	2.2
277.15866	3.8
279.17465	6.6
283.14929	3.7
284.15631	3.1
285.16397	5.6
287.14264	2.8
287.17828	2.3
289.15823	3.5
291.17545	3.0
293.15485	2.3
293.18903	2.6
298.16913	2.3
299.17889	6.1
301.15869	3.4
303.17523	2.7
305.19064	5.7
309.16415	2.6
311.17984	2.3
313.19458	4.7
314.20297	3.4
315.21109	12.5
317.19113	4.4
327.17130	2.4
329.22568	2.3
331.20566	4.6
339.21140	5.0
355.24072	9.0
357.22104	18.1
358.22742	2.0
359.20035	3.2
372.24426	3.0
373.25275	8.5
379.24182	2.1
397.25436	16.4
398.25433	2.6
415.26291	71.7
416.26706	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	415.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
67.05502	6.3
67.55353	2.0
69.07066	2.2
71.04995	3.7
71.27827	2.0
79.05483	5.5
81.07047	7.5
91.05463	15.6
93.07037	11.9
95.04971	2.3
95.08614	7.1
97.10159	3.2
103.05444	2.1
105.07034	17.7
107.08611	9.7
107.29430	1.7
109.06515	31.6
109.10170	9.5
110.74300	1.8
111.08085	5.3
115.05473	1.8
117.07015	5.6
119.08578	100.0
120.08896	3.2
121.10139	8.6
123.08080	3.8
128.06224	2.3
129.06992	3.4
131.08583	9.7
133.06468	2.9
133.10135	22.0
135.08055	6.4
141.07021	3.8
142.07793	3.9
143.08589	9.4
144.09306	2.4
145.10127	9.9
147.08073	2.9
147.11694	5.0
149.09615	12.3
155.08568	7.0
156.09352	4.3
157.10138	12.9
158.10902	2.7
159.08067	2.9
159.11707	4.1
161.09659	3.4
165.06981	2.2
166.07739	2.4
167.08583	2.1
168.09293	3.6
169.10191	9.8
171.11658	6.6
173.09616	7.2
173.13266	7.1
175.11221	2.8
179.08609	4.5
180.09251	2.1
181.10138	9.8
182.10895	2.5
183.11710	9.5
185.09662	2.1
187.11127	2.7
187.14677	2.1
193.10117	8.2
195.11728	9.6
196.12502	4.0
197.09726	2.1
197.13274	6.0
198.14052	6.4
199.11200	5.3
199.14870	2.7
201.12717	2.5
203.08575	2.8
205.10213	2.6
206.10973	4.3
207.11667	9.2
208.12529	2.9
209.13315	6.6
210.10316	1.9
211.11208	2.3
211.14908	8.6
213.16296	1.8
217.12181	1.8
218.10867	2.1
219.11658	6.7
220.12469	4.0
221.13300	5.5
223.11235	3.2
223.14833	3.3
225.12712	2.1
225.16373	2.6
229.10162	4.0
229.16010	3.8
231.11754	6.3
232.12288	3.8
233.13290	8.5
234.14012	3.0
235.14876	5.1
237.12827	3.8
237.16432	1.9
243.11728	6.1
244.12445	5.9
245.13153	9.2
246.13849	2.4
247.14865	6.3
249.12653	3.9
249.16191	2.5
251.14363	3.7
253.10245	2.1
253.15807	4.0
257.13303	4.4
258.14023	3.7
259.14819	10.9
260.15533	3.0
261.16315	4.2
267.17337	2.7
269.13120	3.2
270.14191	2.4
271.14709	4.0
273.16235	5.1
275.14325	2.9
275.18033	2.2
277.15866	3.8
279.17465	6.6
283.14929	3.7
284.15631	3.1
285.16397	5.6
287.14264	2.8
287.17828	2.3
289.15823	3.5
291.17545	3.0
293.15485	2.3
293.18903	2.6
298.16913	2.3
299.17889	6.1
301.15869	3.4
303.17523	2.7
305.19064	5.7
309.16415	2.6
311.17984	2.3
313.19458	4.7
314.20297	3.4
315.21109	12.5
317.19113	4.4
327.17130	2.4
329.22568	2.3
331.20566	4.6
339.21140	5.0
355.24072	9.0
357.22104	18.1
358.22742	2.0
359.20035	3.2
372.24426	3.0
373.25275	8.5
379.24182	2.1
397.25436	16.4
398.25433	2.6
415.26291	71.7
416.26706	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	416.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03941	2.5
55.01876	0.5
55.05515	0.4
57.03435	1.0
59.05004	2.7
67.05490	0.9
69.03431	6.2
69.07069	1.0
69.12730	2.4
69.20512	0.3
70.06590	1.7
71.04996	4.3
72.08154	2.4
78.03453	9.9
80.05019	2.4
81.03420	15.3
84.08176	0.4
85.02905	5.4
85.83831	0.3
86.09703	4.3
95.04995	0.7
96.04493	2.0
97.02905	3.6
98.22601	0.8
99.04447	2.3
101.06008	1.8
106.02917	40.1
107.03267	0.9
109.02883	8.8
110.07168	0.4
113.06007	7.4
124.03953	100.0
125.04307	2.0
127.03906	5.0
129.10242	1.0
131.07048	2.5
136.07632	0.5
149.08087	1.9
151.11153	0.4
157.09689	0.4
166.04987	1.0
171.11227	0.4
196.06120	0.5
208.05998	0.5
232.06070	1.7
250.07106	12.9
251.07474	0.5
268.08157	58.9
269.08505	3.9
286.09201	3.1
299.17416	0.4
299.20694	0.7
337.18192	0.4
354.15262	0.6
398.14630	0.5
416.15466	3.3
416.30542	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	416.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
58.96018	0.5
62.75629	0.4
67.97287	0.4
69.07751	3.6
70.06593	0.6
84.08118	0.5
85.08366	0.4
87.71690	0.4
91.05479	3.3
93.07059	5.2
95.04957	1.1
98.22688	0.9
103.05466	3.7
118.08661	1.7
121.06510	100.0
122.06839	4.0
138.09140	26.0
153.01820	0.9
212.01126	0.7
213.00659	0.5
356.05392	1.9
357.05060	0.9
362.88647	0.5
374.06488	1.6
375.05887	1.2
431.93753	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	416.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
67.05495	1.1
67.91157	0.3
69.07066	0.8
69.65953	0.9
77.47433	0.3
79.05497	0.8
81.07049	1.5
91.05477	9.6
93.07034	0.9
95.04967	0.4
95.08599	0.9
105.07035	1.7
107.08602	1.2
109.06513	0.9
109.10143	0.4
119.08571	3.2
121.10149	3.6
123.08057	0.5
129.06967	0.4
131.08562	0.6
133.10103	2.8
135.08098	0.4
135.11693	0.7
143.08565	0.8
145.10100	0.7
147.08096	0.4
147.11676	1.0
155.08582	0.4
157.10167	0.6
159.11720	0.4
161.09612	1.1
161.13243	1.7
163.11116	0.4
173.13272	0.4
175.11241	0.4
175.14809	1.1
181.10124	0.7
183.11717	0.4
185.13257	0.6
187.11168	1.1
187.14810	0.6
188.11934	0.7
198.12784	10.5
199.13148	0.6
203.14319	17.8
204.14655	1.2
218.11156	0.3
219.17442	100.0
220.17781	6.8
399.26669	0.5
417.27792	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	416.365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99329	0.7
54.03613	0.9
54.99084	0.7
55.05514	1.0
67.05499	3.2
73.04761	0.9
79.05493	1.5
83.04967	1.0
93.07024	1.2
95.08607	8.2
105.07013	2.0
107.04964	4.4
109.06539	0.9
121.06521	2.4
122.07288	8.7
123.08075	12.6
135.08076	3.3
137.06013	1.9
138.06767	2.1
150.06764	19.0
151.07547	100.0
152.08255	6.4
163.07561	1.0
164.08357	2.8
173.09631	1.3
176.08325	1.4
177.09122	1.7
191.10680	15.8
192.11147	0.9
416.36496	78.8
417.36874	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	417.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01872	5.3
57.03426	2.0
59.05016	0.4
61.02918	1.2
62.17198	0.4
65.03935	2.6
67.01889	0.5
67.05491	1.3
68.99437	0.4
68.99779	6.6
69.00124	0.5
69.03416	1.7
69.17053	2.8
70.06560	0.4
71.01341	0.4
73.02913	0.9
77.03961	0.5
79.01855	1.0
79.05496	2.7
81.03419	4.0
85.02912	5.8
86.09693	1.6
87.87278	0.3
91.05489	5.7
92.99758	0.6
93.03387	1.7
95.01310	0.6
95.04971	10.0
97.02899	4.6
99.00813	0.8
103.03934	1.4
103.05450	1.4
105.03387	1.5
107.01305	0.4
107.04965	7.7
109.02201	0.7
109.02877	7.0
109.06438	0.4
111.00803	1.1
111.04430	1.0
115.05436	0.7
117.03369	0.6
119.04946	9.8
121.02869	34.2
121.06512	2.4
122.03186	1.4
123.00800	1.6
123.04435	13.0
124.04733	0.5
127.03926	1.0
127.83926	0.4
131.04958	1.8
133.02847	1.1
134.09010	0.3
135.04417	7.7
137.02342	2.4
141.01839	3.8
141.05449	1.0
143.04837	0.4
145.02809	1.3
146.03561	0.4
147.04410	33.3
148.04727	1.1
149.02336	3.1
149.05992	1.4
150.03003	0.4
151.03911	3.2
153.01828	19.6
153.11148	0.5
154.02139	0.4
155.03307	0.4
159.04410	1.5
161.02342	1.0
161.44533	0.4
162.03136	0.4
163.00296	0.9
163.03906	22.9
164.04289	0.6
165.01836	97.1
166.02170	3.6
167.03453	0.8
171.02902	0.6
171.04300	0.6
173.02330	1.2
175.03903	5.0
177.01834	24.2
177.05418	2.9
178.02199	0.9
178.99791	1.7
179.03391	4.7
181.01305	0.6
181.04938	0.8
183.02898	32.6
184.03203	0.7
187.03932	5.0
189.01839	15.1
189.05386	0.5
190.02184	0.8
190.99852	2.6
191.03398	60.6
192.03737	2.9
193.01312	2.9
193.04903	0.6
195.01079	0.4
195.02898	8.4
195.04561	0.8
197.00810	2.1
199.03937	1.3
201.01813	0.6
202.02614	1.1
203.03391	7.4
205.01436	0.9
205.04945	10.5
207.02861	6.2
209.00885	1.9
209.04445	4.6
215.03381	7.7
216.03763	0.5
217.01355	2.2
217.04984	0.8
219.02888	100.0
220.03235	4.9
221.04401	0.9
231.02890	60.7
232.03282	2.9
233.04448	7.9
234.04744	0.5
235.02391	1.1
237.03915	3.8
243.02890	17.7
243.06503	0.7
244.03217	1.1
245.04515	0.5
249.03946	36.0
250.04269	1.4
255.06538	0.8
257.04480	0.8
261.03952	48.8
262.04263	2.5
269.07892	0.5
273.07590	7.6
279.05014	23.9
280.05264	1.2
285.07574	54.6
286.07846	3.5
297.06540	13.6
297.07196	13.9
298.07852	0.8
309.07391	2.0
311.05484	0.8
311.09146	1.0
321.07455	0.6
327.08698	0.7
339.08649	41.5
340.08966	2.9
351.08621	31.0
352.08896	2.8
353.09964	0.6
363.08627	12.2
364.08804	0.7
369.09738	3.2
370.09857	0.6
381.09689	11.2
382.10031	1.1
399.10757	14.0
400.10995	0.9
417.11783	8.5
418.12259	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	417.1546
Annotation	(-)-Podorhizol
Peak:m/z	Relative Intensity
53.03938	0.8
55.01834	0.5
62.66105	0.4
62.89503	0.3
65.03922	1.4
67.05486	0.4
67.89531	0.4
69.05513	3.5
70.06565	0.5
72.51694	0.3
75.47411	0.3
77.03916	0.4
78.04707	2.4
79.05484	1.3
81.07043	0.6
82.04208	0.8
85.02886	1.0
91.05485	2.3
93.03403	0.6
93.07005	1.0
95.04958	1.4
103.05478	2.6
105.07014	0.5
106.04171	2.0
107.04949	1.6
109.02863	0.4
110.03650	0.5
111.04430	0.5
115.05461	2.9
115.55724	0.4
117.03417	0.5
117.06317	0.5
117.07034	5.8
117.82459	0.3
119.04955	0.8
120.05681	0.4
121.02874	0.6
121.06520	4.7
123.04446	7.7
124.05244	2.1
125.05968	0.5
127.05442	0.8
131.04936	0.6
132.84155	0.4
134.03627	0.5
135.04495	0.5
137.06012	0.9
138.03152	0.6
142.02635	0.6
143.04898	0.5
144.05710	0.5
145.02864	1.5
145.06499	8.7
145.26059	0.4
147.04410	0.7
147.08028	0.7
151.03888	1.6
152.04657	2.0
153.01849	0.9
153.05536	0.4
155.04919	0.6
155.06046	3.7
158.03568	0.9
160.05183	0.5
161.06023	0.6
167.07050	100.0
168.07387	3.1
171.06618	0.6
173.05997	16.1
174.06348	0.6
175.03917	1.1
175.07520	0.4
177.05481	1.5
181.04965	19.5
187.07571	0.6
190.12733	0.4
191.07057	0.9
195.06516	0.5
201.05484	11.5
205.08632	3.8
215.07109	0.4
222.03889	0.5
231.06476	0.7
233.08104	7.6
235.09674	3.9
249.07559	2.3
297.08606	0.4
338.14096	0.4
367.09274	0.4
385.10281	0.6
386.16022	1.2
387.14404	13.2
388.14868	1.2
417.15518	25.4
417.20200	0.9
418.15613	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	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03933	0.7
55.01854	0.9
62.27728	0.3
65.03947	2.9
65.54736	0.3
67.05511	1.6
69.03420	0.8
70.63181	0.3
70.75317	0.3
72.16593	0.3
75.45936	0.3
78.04724	3.3
79.05506	2.6
81.03407	0.5
81.07029	0.4
82.00524	0.3
82.04184	0.9
85.02920	1.6
91.05484	2.6
93.03421	0.7
95.04958	1.7
96.05729	0.4
97.02888	0.3
97.06519	1.1
98.22604	1.1
102.04681	0.4
103.05476	5.9
105.03395	0.6
105.07034	1.0
106.04180	1.7
107.04295	0.3
107.04967	4.6
108.02111	0.4
109.06516	0.4
109.48524	0.3
110.03648	1.4
111.04438	0.6
115.05462	3.5
117.06205	0.4
117.07027	7.0
118.04215	1.5
119.04991	0.5
121.06499	0.7
122.03661	0.7
123.04436	7.1
124.05235	3.0
125.05991	1.3
127.05439	1.0
128.06239	0.5
129.07053	0.3
130.04172	0.5
131.04944	4.2
132.05725	0.4
133.02856	0.9
133.06454	1.0
134.03636	0.8
135.04433	0.4
137.05975	1.1
138.03125	0.8
142.02615	1.3
144.05688	0.6
145.06490	7.8
146.03647	0.5
147.04391	0.3
147.08023	0.5
148.05177	3.5
151.03914	1.6
152.04683	2.9
153.05486	1.5
155.06041	3.4
157.06459	0.3
161.05942	0.7
163.07549	4.8
165.05537	0.4
167.07045	100.0
168.07396	4.1
171.06546	1.4
173.05981	14.4
174.06447	0.4
175.07603	0.9
176.04761	0.5
181.04965	43.8
182.05304	2.2
191.07039	15.8
192.07410	1.1
193.08612	0.5
195.06590	0.9
201.05507	0.7
205.08583	3.7
207.06464	0.4
209.08072	0.4
217.08611	0.8
219.08136	0.4
219.10135	0.9
225.07526	0.4
233.08112	7.4
234.08598	0.4
235.07561	0.5
235.09651	3.3
241.08644	0.4
263.09210	0.6
279.06519	0.3
281.32919	0.3
286.08325	0.4
293.08069	0.4
321.11224	0.5
323.08844	0.3
325.10739	0.4
329.10193	0.7
339.12070	0.4
344.12555	0.3
353.10654	0.3
357.13235	0.4
367.11581	0.4
381.13409	0.7
385.12775	0.5
387.14371	10.9
388.14697	1.1
399.14548	0.9
417.15466	22.4
417.29050	0.9
418.15771	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	417.1545
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
52.50706	0.4
53.03940	0.8
55.01868	0.9
65.03936	2.4
67.05501	1.3
69.03436	0.6
71.66626	0.4
78.04714	2.9
79.05505	3.4
81.03435	0.6
81.07067	0.7
82.04200	1.2
85.02914	2.0
91.05504	2.2
93.03436	0.5
95.04959	2.1
97.06526	1.0
103.05471	4.1
105.03448	0.7
106.04165	2.2
107.04956	6.0
110.03644	1.5
111.04475	0.8
115.05445	4.1
117.07036	5.3
118.04192	1.2
121.06475	0.7
122.03725	0.5
123.04446	7.8
124.05238	2.7
125.05951	1.1
127.05448	0.7
131.04953	2.8
133.06505	1.2
134.03593	0.6
135.04373	0.9
137.05969	1.1
138.03076	0.6
142.02628	1.2
143.04886	0.6
144.05740	0.6
145.06494	8.2
147.08086	0.6
148.05148	2.4
149.06000	0.7
151.03923	1.4
151.07478	0.5
152.04655	2.2
155.04968	0.5
155.06041	2.8
161.06009	0.6
163.07576	2.8
165.05498	0.6
167.07047	100.0
168.07404	3.4
171.06563	1.4
173.05984	13.5
174.06395	0.5
179.06966	0.5
181.04964	39.6
182.05325	1.7
191.07045	10.9
193.04826	0.5
193.08675	0.7
195.06512	0.8
201.05458	0.7
205.08580	2.9
207.06479	1.0
221.08057	0.8
229.08318	0.5
233.08104	8.0
235.09657	3.3
245.72348	0.4
253.17926	0.4
267.10397	0.6
324.09778	0.6
357.13477	0.5
381.13297	1.2
387.14404	11.3
388.14777	1.1
399.14459	1.5
417.15451	20.1
418.15952	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	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02372	0.4
53.03939	0.8
55.01856	0.3
56.48537	0.3
57.54885	0.3
65.03932	1.6
67.05507	0.8
69.03429	0.8
69.07067	0.5
70.90777	0.4
73.10439	0.3
75.48494	0.3
78.04713	3.0
79.05508	2.3
81.03423	1.0
81.07050	1.1
82.04190	0.9
85.02902	2.0
91.05484	1.8
93.03411	0.7
93.07037	0.5
95.04962	1.5
95.08617	0.5
97.02884	0.5
97.06517	0.6
103.05474	2.2
105.03384	0.5
105.04548	0.5
105.07033	1.0
106.04180	1.7
107.04963	2.4
107.08604	0.6
108.77513	0.3
109.02876	0.7
109.06547	0.6
109.10170	0.4
110.03661	0.7
111.04456	0.6
113.88557	0.3
115.05455	3.8
117.07024	5.7
119.08585	0.5
121.06501	0.7
121.10134	0.5
122.03693	0.5
123.04434	9.5
124.05232	2.7
125.05975	0.7
127.05434	0.9
131.04936	1.6
131.08534	0.3
132.50452	0.3
133.02824	0.4
133.06453	0.5
134.03621	0.7
135.04387	0.5
137.05991	0.7
138.03093	0.5
142.02631	1.0
144.05710	0.6
145.06506	8.5
147.08063	0.9
148.05186	0.7
151.03941	1.9
152.04671	2.1
155.06064	3.8
160.05132	0.4
163.07576	1.1
167.07051	100.0
168.07396	3.5
171.06598	0.8
171.08011	0.3
173.05991	15.4
174.06354	1.0
174.45883	0.4
175.07549	0.7
181.04973	25.0
182.05301	0.9
183.13705	0.3
189.05574	0.5
190.06337	0.4
191.07068	3.9
201.05516	1.1
205.08644	3.6
224.85594	0.4
233.08083	8.0
234.08545	0.5
235.09637	3.8
313.16202	1.1
330.44644	0.4
355.11813	0.5
381.13202	0.6
385.12427	0.4
387.14380	11.6
388.14572	0.6
417.15399	22.1
417.20978	6.8
418.15897	1.3
418.21826	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	417.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
56.22766	0.5
60.55897	0.5
71.29195	1.1
71.86717	0.5
79.05496	3.7
86.09711	0.6
89.03904	0.9
95.04983	0.5
103.05492	2.5
105.07031	100.0
106.07384	3.2
109.02824	0.6
110.69338	0.5
117.03384	1.0
122.09668	44.7
122.80109	0.5
123.09993	1.4
135.04419	1.4
136.75003	0.5
145.02827	1.4
163.03917	11.9
163.05118	0.4
166.10817	0.6
185.54379	0.5
192.25037	0.5
205.54105	0.5
218.71992	0.5
292.00403	0.6
311.20020	0.7
315.88702	0.6
345.97433	0.5
410.56274	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	417.2098
Annotation	Spironolactone
Peak:m/z	Relative Intensity
55.05500	0.6
67.05498	0.9
69.03432	0.8
69.17390	4.0
78.61259	0.6
79.05499	0.9
81.07099	1.0
84.08167	0.8
85.02910	1.6
93.07021	0.7
98.29351	0.6
98.99142	0.6
103.05492	1.1
105.07090	1.0
107.04980	1.4
115.05449	0.8
119.08565	0.9
123.04461	1.9
127.03722	2.8
131.04939	0.7
145.06483	0.9
145.10136	0.8
163.07642	1.2
164.90233	0.6
167.07045	17.4
168.07483	1.3
173.05965	2.8
181.04958	7.9
185.04289	1.3
191.07095	1.7
203.05345	1.3
233.08211	1.7
235.09778	0.8
289.08795	0.8
313.16306	2.0
331.17319	1.6
373.18491	3.2
387.14554	2.5
417.21024	100.0
418.16373	0.9
418.21518	8.3
418.26917	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	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05515	11.9
57.03447	7.7
57.07073	5.8
65.03946	1.8
67.05506	55.2
69.07069	10.5
69.67160	4.8
69.67484	1.0
70.84524	1.1
71.04976	1.0
71.08633	2.4
73.74757	0.9
76.38189	1.1
79.05496	18.1
81.03410	1.5
81.07059	62.6
82.07383	2.0
83.05014	1.3
83.08620	7.1
85.06553	1.5
88.10992	1.2
91.05469	12.6
93.07043	18.7
95.04970	2.9
95.08607	58.2
96.08954	1.8
97.06511	5.9
97.10186	3.9
98.98470	94.2
99.08110	3.5
105.07035	9.6
107.08570	10.7
109.06519	1.2
109.10165	31.5
111.08079	3.2
111.11749	1.5
113.09651	2.5
116.99491	1.9
117.07047	1.1
119.08582	8.5
121.10136	12.9
123.11710	14.4
127.11221	1.3
133.10135	10.5
135.11697	8.0
137.09579	1.6
137.13271	8.7
147.11714	8.2
149.13257	7.4
151.11203	1.2
151.14784	7.8
155.01042	100.0
161.13210	6.4
163.14836	8.5
165.16406	6.0
175.14832	5.0
177.16348	1.8
179.17839	1.5
189.16418	2.3
245.22661	21.5
252.66321	1.1
263.23712	50.3
264.23972	2.1
410.25601	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	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.4
55.87025	5.3
59.53149	4.6
65.03936	5.3
67.05505	13.1
68.23190	5.7
69.07066	7.5
70.06588	12.1
71.04977	17.6
71.29592	5.9
72.08160	37.0
79.05487	16.5
81.03417	4.7
81.07063	25.3
81.35300	4.5
83.04968	6.6
86.09684	7.7
91.05484	12.7
93.07049	12.5
95.04943	10.0
95.08581	8.9
103.05456	14.7
105.07025	33.2
107.04955	15.1
107.08584	18.3
109.06512	6.5
109.10134	8.7
117.07022	14.4
119.08586	9.0
121.06480	5.3
121.10123	9.9
125.09622	14.6
131.04922	9.3
131.08525	5.1
132.08110	8.8
133.10133	41.3
134.03654	5.1
134.06955	5.5
135.11667	4.7
142.06425	4.8
143.10651	16.0
145.10150	8.9
147.11723	8.1
147.70496	5.2
148.05191	7.1
149.13226	10.1
157.72607	4.9
159.11688	10.5
160.07585	37.0
163.07495	8.2
167.07022	100.0
167.14368	11.4
171.14954	9.1
173.05969	11.9
181.04950	62.7
191.07040	40.1
201.16312	7.1
202.08627	38.1
219.11372	23.6
219.17464	22.4
233.08154	9.9
235.09682	6.2
253.04640	16.7
267.10172	4.9
387.14233	15.8
400.87338	6.2
417.09375	46.5
417.15433	21.6
417.24927	9.0
418.10019	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	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43637	4.4
52.97679	4.1
55.05511	9.2
58.39053	4.7
65.03938	5.3
67.05521	6.0
70.45803	14.5
71.05004	16.2
76.24355	4.4
79.05506	18.0
81.07066	16.9
81.75830	4.4
83.08632	4.4
85.02928	6.5
91.05492	11.2
91.39736	4.0
93.07056	15.9
95.08636	14.2
99.08089	5.6
105.07053	28.2
107.04964	5.5
107.08603	15.5
109.06607	6.1
109.10174	5.4
115.05486	5.4
119.08594	5.3
121.10135	6.8
123.04448	14.6
125.09629	20.1
128.56152	4.4
131.08621	6.8
133.10149	46.2
143.10706	15.6
145.06516	8.9
145.10101	5.9
147.11700	7.7
149.13235	5.5
151.03931	6.8
155.06186	5.0
156.05675	8.0
159.11829	4.8
165.01768	5.9
167.07065	100.0
167.08386	8.0
167.14310	29.0
168.07423	5.3
173.06030	12.0
173.36794	5.1
181.04961	33.8
191.07028	13.6
211.03775	7.0
217.08614	34.5
219.17509	17.9
225.12639	5.6
227.80475	5.4
233.08086	6.8
237.18510	6.0
253.04726	26.9
267.06616	38.6
279.06491	5.4
293.08209	9.6
297.07690	28.1
318.27612	4.6
321.07623	10.2
333.07733	7.3
351.08908	7.7
363.08557	5.7
387.14502	14.0
417.09509	87.0
417.16043	27.6
418.09882	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	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.4
56.41730	3.0
65.55947	3.2
67.05491	3.9
71.28228	5.1
79.05485	6.2
81.07056	14.0
84.08143	5.6
89.13451	3.4
91.05510	4.5
93.07034	7.3
95.08580	4.3
103.05501	5.6
105.07042	9.5
107.04984	6.2
107.08572	6.1
109.10131	4.1
133.10149	11.1
145.06453	7.7
167.07057	84.3
167.14299	7.6
173.05984	10.6
181.04976	24.0
191.07057	7.6
219.17471	6.9
233.08122	4.6
306.03049	3.3
313.16205	13.0
365.17310	3.7
387.14368	9.4
417.15436	14.5
417.20831	100.0
417.26245	6.0
418.21860	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	417.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.05506	10.6
55.46679	4.3
55.79702	4.9
57.07080	8.0
63.52979	4.2
63.71593	4.7
67.01803	4.0
67.05512	35.6
69.07066	18.7
71.27795	6.1
75.02345	5.0
79.05502	29.6
80.88804	4.7
81.07066	45.2
83.08604	5.4
86.82430	4.9
90.98053	4.5
91.05486	51.8
93.07056	46.5
95.04969	15.1
95.08622	45.2
97.02909	6.7
97.06564	7.9
105.07035	85.5
107.08605	51.9
109.06504	14.2
109.10154	43.1
111.08074	9.4
115.05512	5.0
117.07027	21.9
119.08586	100.0
120.08903	5.4
121.06516	10.4
121.10153	67.4
123.08102	10.6
123.11722	15.2
128.06245	10.0
129.06998	17.8
130.07784	5.3
131.08583	40.4
133.10144	56.9
135.08076	8.5
135.11707	21.4
137.06024	27.4
142.07823	21.9
143.08574	44.4
144.09323	10.1
145.10133	67.7
147.11694	14.8
149.13313	5.5
151.07558	7.1
153.07008	6.8
155.08566	15.4
156.09352	11.6
157.10133	46.3
158.10896	8.7
159.08119	14.1
159.10452	5.8
159.11644	28.5
161.09621	7.3
161.13327	9.1
162.18712	5.0
165.06960	5.3
165.09247	6.1
166.07773	6.6
167.08565	11.5
168.09242	5.8
169.10167	20.1
170.10902	10.8
171.11691	26.6
173.13251	14.7
175.14874	17.2
179.08534	21.6
180.09390	5.0
181.10097	15.1
182.10939	10.9
183.11684	30.0
185.13251	11.4
187.14861	12.6
191.10832	4.8
193.10161	13.9
194.10851	7.4
195.11630	32.9
196.12579	10.0
197.13281	26.0
199.11324	9.8
199.14874	11.1
201.16338	7.0
206.10994	5.5
207.11676	11.2
208.12563	5.5
209.13255	29.9
210.13879	6.7
211.14867	18.3
213.16449	7.5
217.12354	5.6
221.13295	10.6
223.14783	10.8
225.16341	7.4
235.14783	9.2
235.84767	4.6
237.16402	5.8
239.17842	6.8
247.14819	6.5
249.16360	7.5
251.17949	8.2
252.18370	5.7
253.19571	8.4
265.19473	8.3
266.20270	14.5
277.19550	6.4
295.16562	5.8
332.25101	4.5
399.26605	6.5
417.27856	83.1
417.37045	28.2
418.28009	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	417.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.05507	18.4
55.90333	4.3
57.07067	7.5
60.36432	4.6
67.05505	18.9
69.07067	13.9
70.28651	4.1
71.04980	6.8
79.05486	25.1
81.07066	30.6
83.08635	9.6
88.07689	6.2
91.05479	36.4
93.07043	35.8
95.04955	11.5
95.08620	29.8
97.10159	5.3
103.05511	6.1
105.07035	65.8
106.07383	6.3
107.08626	45.5
109.06522	70.9
109.10185	25.1
111.08086	4.9
117.07018	16.4
119.07784	6.4
119.08591	83.2
119.74561	4.7
120.08847	5.6
121.06533	10.1
121.10164	77.5
123.08047	11.2
123.11694	14.0
128.06233	13.3
129.07034	13.1
131.08571	41.5
133.10144	53.9
135.08058	17.2
135.11711	28.1
137.09631	7.9
141.07002	5.2
142.07745	14.5
143.08563	29.6
145.10132	42.8
147.08043	9.5
147.11710	18.2
149.09625	16.3
153.06984	6.4
155.08528	18.4
156.09358	15.9
157.10141	50.1
158.10748	6.4
159.08046	12.0
159.11702	32.6
161.09612	22.3
161.13269	8.6
165.07060	7.0
167.08614	8.3
168.09373	5.9
169.10057	25.9
170.10913	8.6
171.11729	30.3
173.09674	15.2
173.13341	23.9
175.11302	6.1
175.14818	10.1
179.08533	12.1
180.09340	6.3
181.10194	23.0
183.11694	31.0
185.09642	7.9
185.13278	17.3
187.11179	9.6
187.14838	21.0
189.12836	6.5
192.09244	6.0
193.10104	16.6
194.10915	10.9
195.11714	30.3
197.09724	6.9
197.13222	11.8
199.11195	15.9
199.14839	15.0
201.12749	6.8
201.16405	4.9
203.10674	5.7
205.10237	6.3
206.10818	6.4
207.11678	16.6
209.13274	21.9
211.14845	22.9
211.62230	4.9
213.12753	7.4
213.16364	9.6
217.12129	5.9
219.11674	9.9
220.12300	6.9
221.13353	10.9
223.11292	7.1
223.14949	13.7
225.12801	9.3
227.14287	10.1
233.13269	11.3
234.14038	8.6
235.14804	19.5
237.12828	8.6
237.16267	6.8
239.14305	11.9
239.17975	9.2
241.12219	6.4
243.11595	6.5
243.13847	5.2
244.12451	4.8
245.13362	7.2
246.13942	5.2
247.14783	18.4
249.16272	9.7
251.14243	9.3
253.15855	6.9
258.13824	6.8
261.16418	11.0
263.17984	8.1
272.15326	5.1
273.16306	6.8
277.15866	8.1
277.19312	6.0
279.17300	5.6
285.16293	6.1
293.18967	4.9
295.16937	4.8
301.19492	6.0
303.17700	6.4
341.22864	5.8
357.25613	6.4
359.23660	20.7
375.26947	15.2
381.25699	5.6
399.26932	35.5
417.27808	100.0
418.27924	5.6
418.38809	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	418.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58126	3.9
79.05485	3.6
89.56797	2.0
90.90865	2.3
105.07031	100.0
105.93723	1.7
106.07390	5.7
122.09661	44.9
123.10014	2.7
163.04021	4.7
179.29642	1.8
181.66357	2.0
186.22263	2.2
191.03375	3.2
219.02936	2.7
247.02318	3.2
272.79547	2.1
371.64783	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	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
70.58495	2.4
70.58829	1.7
74.00378	1.7
75.04495	2.7
80.85309	1.4
85.02904	5.9
91.05488	100.0
92.05840	2.0
97.02902	4.2
137.05965	6.3
149.02328	1.8
175.62981	1.6
193.08611	41.7
194.08839	2.1
211.09679	12.2
219.21655	2.0
234.98413	1.8
250.12558	1.8
365.32819	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	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
60.31931	0.3
69.03432	2.3
70.06596	0.5
70.82671	0.4
72.08160	0.4
73.84359	0.3
75.05610	0.5
79.05504	1.5
84.04519	0.4
84.08141	0.3
85.02929	1.4
86.09706	1.0
87.04464	1.3
91.05477	0.9
95.04985	0.3
97.02905	1.4
106.06558	100.0
107.06868	2.5
107.07404	0.3
108.08138	1.0
109.02889	0.3
115.03925	1.1
118.06530	5.8
119.28709	0.3
120.08096	0.8
124.07608	1.3
130.06537	1.1
133.04964	0.9
134.06067	0.5
136.06155	0.2
144.08038	0.3
148.07579	2.5
153.01837	0.6
160.07579	0.4
186.08754	0.3
238.08369	0.3
238.10741	6.0
238.12993	0.3
256.11758	0.4
266.05447	0.3
268.11990	0.5
271.40491	0.2
286.12930	0.3
296.60809	0.3
318.76535	0.3
369.97766	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	418.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.2
69.03426	0.6
70.06599	1.6
71.01360	0.7
71.34515	0.8
75.04485	2.2
85.02913	4.6
87.04459	1.0
91.05486	100.0
92.05819	2.5
97.02911	2.0
99.00819	0.6
105.07048	0.6
107.04971	0.8
113.02343	0.6
123.04501	0.6
131.03311	0.6
137.05974	5.5
145.02890	1.1
151.03967	0.7
158.22220	0.5
158.83026	0.5
165.76077	0.5
167.07076	0.9
177.05504	2.1
193.08618	44.9
194.08955	2.0
203.79489	0.5
211.09622	6.2
212.10085	0.7
235.09845	0.8
383.13293	0.8
418.15076	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.9
55.01876	10.4
55.05522	1.3
57.03441	7.0
60.04522	1.4
61.02927	6.7
67.05506	3.6
68.99781	5.2
69.03431	33.9
69.07059	1.6
71.04994	5.3
73.02550	1.2
73.02929	8.8
75.05524	0.9
79.05501	3.0
81.02925	1.7
81.03416	35.7
81.07047	5.2
82.03740	1.2
85.02908	100.0
85.27525	1.1
86.03254	1.6
87.00837	39.7
87.04472	1.1
91.03946	1.7
91.05492	2.0
93.07034	8.4
93.39088	1.1
95.08606	3.4
97.02897	30.3
98.06152	1.1
99.04456	17.5
105.01871	41.6
105.07028	3.1
107.04966	1.4
107.08595	7.8
108.04475	6.6
109.02878	32.7
109.06618	1.1
109.10166	6.0
111.04451	1.5
115.03928	1.8
117.01864	5.0
119.08618	1.5
119.97609	1.0
121.06526	1.6
121.10178	2.1
123.11713	2.2
126.05506	3.2
127.03917	67.7
128.04259	2.0
129.01855	4.8
133.10127	3.4
135.11699	8.7
143.08615	1.1
145.04967	37.1
147.02907	4.2
147.11714	2.2
159.02881	26.0
159.11760	1.5
177.03998	1.2
177.12746	1.2
189.03889	2.6
195.13904	1.1
203.17934	5.1
212.05363	1.2
213.03873	2.6
215.14207	1.1
221.19012	2.2
230.06610	1.4
231.05014	17.8
243.13728	2.0
244.65714	1.1
248.07652	3.9
249.06046	1.4
261.14801	1.7
266.08633	1.1
288.61911	1.2
365.15826	1.3
418.30603	7.6
419.20078	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32428	0.9
52.64584	0.9
53.03947	5.8
55.01873	9.7
55.05523	1.5
57.03434	5.3
61.02653	1.0
61.02932	6.7
67.05499	3.9
67.51155	0.9
68.19859	0.8
68.66990	0.9
68.99793	4.2
69.02443	3.6
69.02853	4.8
69.03101	2.4
69.03432	33.6
69.07054	1.1
71.04988	4.8
73.02917	8.4
77.54417	0.9
79.05499	4.5
81.03423	29.8
81.07047	5.3
82.66148	0.9
83.04995	1.5
85.02908	100.0
86.03271	1.1
87.00832	32.8
91.03953	2.9
91.05486	2.3
93.07056	7.8
95.04987	1.5
95.08617	3.7
97.02283	2.1
97.02895	33.3
98.22619	1.5
99.04455	16.7
100.11286	2.4
105.01870	41.1
105.06970	2.6
107.08593	8.1
108.04505	6.8
109.02882	31.5
109.10159	5.9
111.04439	0.9
115.03925	1.8
117.01829	4.6
117.06995	1.8
121.10136	2.6
123.11738	2.1
126.05537	4.2
127.03922	74.9
128.04248	2.3
129.01866	4.4
129.06958	1.1
131.08589	1.7
133.06448	1.2
133.10129	4.2
135.11687	10.4
145.04959	37.9
147.02878	3.7
147.11700	1.5
155.08638	1.1
157.05078	1.2
159.02898	22.2
159.11713	1.6
175.23569	1.1
177.03911	1.1
177.12776	1.3
189.03993	2.6
189.12785	1.6
190.33884	0.9
203.17986	3.4
213.04001	2.6
221.19061	1.8
230.06592	3.4
231.05020	16.9
243.13789	3.1
248.07683	4.6
249.06111	3.9
261.14844	2.2
266.08655	1.6
287.05502	1.8
347.14999	1.2
418.21423	1.4
418.30527	12.5
419.20618	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
55.01858	4.1
55.05511	8.1
57.03423	3.4
61.02915	1.6
67.05504	6.3
69.03423	10.6
69.07075	3.4
69.19107	9.9
71.04993	1.4
73.02899	3.6
79.05499	23.5
79.05922	2.6
81.03415	8.9
81.07064	10.4
84.04524	1.8
85.02909	28.9
87.00842	14.1
91.05486	26.4
93.07047	100.0
94.07353	2.8
95.04970	5.5
95.08601	8.0
97.02891	11.1
99.04453	5.9
103.05467	1.6
105.01871	23.9
105.04532	2.2
105.07031	9.8
107.08598	99.7
108.04459	1.6
108.08911	3.9
109.02888	8.7
109.06522	3.1
109.10128	3.9
115.03949	2.0
119.06102	1.8
119.08593	6.2
120.08107	2.0
121.10142	2.5
123.11672	2.2
127.03074	2.0
127.03927	26.3
127.98630	1.3
129.06534	1.2
130.05000	2.6
133.10136	4.5
135.11700	88.7
136.12047	2.5
145.04977	15.1
147.11670	6.6
152.14420	1.8
159.02946	6.8
161.13290	1.5
167.07050	3.3
168.07428	3.7
181.05006	2.0
203.17938	16.6
231.04967	7.0
248.07622	1.9
287.05383	2.4
312.99628	1.7
371.54178	1.7
382.83014	1.6
419.20578	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	418.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
70.54521	0.8
75.16637	0.3
75.25066	0.3
77.03905	0.4
79.05494	3.5
95.04971	0.8
103.05476	2.4
105.07035	100.0
106.07370	6.3
110.85513	0.3
121.17236	0.3
122.09672	45.9
123.10023	2.6
127.03905	0.5
163.03931	1.1
177.05547	0.5
191.03429	0.5
219.03014	0.5
247.02499	0.4
417.67651	0.4
420.93341	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	418.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	11.0
67.05506	18.9
68.22802	8.4
69.07063	19.6
71.05006	10.9
71.29763	12.6
75.16449	10.9
76.84000	10.0
79.05495	24.4
81.07065	64.5
83.08646	12.0
83.75241	10.4
85.02879	22.5
85.06550	19.0
91.05481	35.6
93.07051	45.4
95.08588	47.4
105.07017	46.8
105.81487	11.3
107.08595	39.4
109.10180	30.2
119.08585	55.9
120.08106	100.0
121.06522	16.1
121.10151	34.9
121.73860	11.3
124.02633	11.6
127.11319	10.2
133.10121	24.2
135.11697	40.3
137.13193	13.7
147.11728	35.1
161.13252	19.4
163.14877	15.5
166.08641	27.2
203.17947	45.0
221.18953	55.5
223.28127	10.3
287.05478	17.4
336.89957	10.4
351.57593	10.4
372.21948	12.5
419.20374	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	22.7
68.70280	6.3
69.07071	10.7
69.54555	37.0
79.05484	22.4
81.07065	32.6
83.08639	11.0
85.02904	15.7
91.05474	18.6
92.14677	6.7
93.07043	60.1
95.08607	30.9
97.02918	7.2
97.78764	6.8
105.01852	11.9
105.07035	33.5
107.08604	73.3
109.10168	21.4
119.03922	6.9
119.08584	26.8
123.11695	11.0
127.03923	9.7
133.10144	21.8
135.11676	21.3
147.11653	32.1
161.13254	13.4
163.07483	9.5
165.01703	7.0
167.07031	42.2
168.07401	27.5
181.04929	18.8
182.05325	12.2
203.17969	100.0
221.19006	8.8
267.76938	7.3
330.47668	6.4
418.15710	12.3
419.20248	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63051	0.3
57.03444	0.3
61.02937	1.4
68.99805	0.7
69.03417	0.4
69.77661	0.4
69.77991	1.2
71.01350	0.3
73.02925	10.7
97.02876	0.3
105.03394	0.5
107.04946	0.5
109.02881	0.4
111.00798	0.7
112.54453	0.3
115.03927	1.1
121.02860	2.8
133.02843	0.5
137.02324	1.2
147.04433	0.9
153.01839	4.6
155.68494	0.3
157.06554	0.5
165.01811	1.4
183.02945	1.4
185.05957	0.6
213.05515	1.5
231.06435	0.7
241.04958	1.0
258.05167	1.4
269.04337	0.6
270.36011	0.3
287.05505	100.0
288.05841	6.5
299.05374	0.6
329.06262	0.4
329.57922	0.3
353.32635	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	419.0973
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01871	1.9
56.73814	0.7
57.03428	3.4
57.07063	2.1
61.02927	0.9
63.09849	0.6
63.99343	0.6
66.31960	0.7
68.99789	0.9
69.03426	2.7
69.10568	3.6
69.10970	1.7
71.01347	0.9
73.02917	1.2
85.02905	2.0
97.02894	0.9
105.03396	1.0
111.00772	1.0
121.02863	2.6
127.03870	0.7
130.46828	0.9
133.04967	1.6
137.02280	1.4
147.04402	1.0
153.01843	3.9
153.12756	2.3
165.01825	2.5
181.04941	1.6
197.05833	1.0
209.08148	0.8
211.38531	0.7
213.05537	1.7
231.06425	1.0
241.05019	1.6
258.05292	0.9
287.05515	100.0
288.05801	5.3
299.05496	1.8
313.28888	0.8
383.07553	1.1
401.15833	1.1
438.36658	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	419.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24015	0.1
65.03935	1.3
67.01871	0.6
70.86384	0.1
70.88896	0.2
71.05006	0.2
71.08651	0.1
75.27102	0.1
91.05486	13.6
92.05814	0.4
95.08649	0.1
97.02914	0.1
99.04492	0.1
117.06994	0.1
119.04948	27.9
120.05262	0.8
127.03928	1.3
147.04414	100.0
148.04749	3.0
149.02380	0.1
213.05360	0.1
255.06500	0.5
273.07581	2.7
274.07886	0.1
396.81360	0.1
419.20251	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	419.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.1
54.22197	1.5
56.73613	1.3
59.15100	1.3
64.58049	1.4
68.05028	1.5
69.03436	4.5
70.06609	7.1
71.28409	1.4
72.08160	6.0
74.06094	2.0
79.01855	4.0
81.03429	9.7
84.04533	3.5
84.08132	1.4
85.02917	4.4
86.09718	10.7
95.32523	1.4
97.02897	7.3
99.04450	1.7
103.61836	1.6
106.06562	17.7
107.01309	2.5
107.06892	8.8
109.02885	6.6
123.04423	1.4
125.02335	4.8
127.03919	7.2
143.03409	5.7
147.04626	1.7
149.02347	1.5
153.01833	100.0
153.02736	4.7
154.02164	1.5
163.03896	1.7
171.02881	10.4
173.12852	3.1
179.98416	1.4
187.14482	1.8
191.03435	4.8
201.12428	1.7
207.02965	1.9
219.03024	2.9
225.08424	1.4
247.02461	5.7
293.03052	2.3
297.06039	9.7
315.07080	6.5
419.18765	1.8
419.24225	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	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.8
57.03425	10.8
57.07079	62.5
69.03421	31.6
70.10371	7.7
71.05003	21.5
71.29539	7.7
81.03417	29.2
81.07053	17.9
85.02912	56.6
85.06548	12.8
87.00836	32.7
91.05482	12.6
93.07032	18.3
95.04992	10.7
97.02899	29.3
97.06545	22.6
105.01877	12.9
105.03387	18.6
105.07051	17.7
107.08595	20.6
109.02881	29.0
109.10153	12.9
115.03894	11.8
119.08573	18.7
127.03938	30.2
134.35410	8.3
135.11681	19.7
137.13281	11.6
145.04951	10.3
153.01816	44.8
153.12730	100.0
163.11098	9.0
177.12666	9.2
201.03856	12.4
213.04071	10.3
237.55698	8.4
256.44623	8.3
287.05484	98.7
294.39917	9.8
358.09811	7.9
390.18472	9.4
419.20398	37.0
419.55048	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	419.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69735	28.6
55.05530	33.0
58.75138	29.0
67.05541	28.3
69.08971	92.3
69.09375	91.5
77.63474	28.4
79.05511	43.6
80.16543	32.6
81.03392	38.4
81.07078	100.0
85.02908	38.5
91.05495	55.8
91.35246	30.5
93.07038	51.1
95.04983	37.0
95.08644	31.2
98.23369	55.5
105.07027	89.7
107.08615	49.2
109.10162	68.5
118.70509	28.3
119.08635	75.0
131.08583	39.1
135.11699	54.6
149.11993	34.5
153.01862	40.4
154.05013	51.3
163.43941	32.0
167.07027	59.5
181.05025	74.5
203.18015	49.9
235.59718	28.8
287.05392	37.4
336.81604	30.9
419.16449	34.2
419.22229	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20270	14.0
55.05517	17.8
67.05508	21.9
71.04996	25.5
74.02592	17.3
79.05498	44.6
81.07048	83.9
85.02923	31.6
91.05486	31.6
93.07067	48.1
95.08614	42.5
97.10213	19.1
98.22533	22.5
105.03395	25.9
105.07043	61.8
107.08620	34.3
109.10187	46.4
113.83948	15.4
115.47964	15.7
119.08581	73.5
121.06530	17.8
123.11687	15.5
127.03901	17.4
127.11189	54.0
133.10208	25.6
135.11699	70.9
147.11740	19.9
149.02333	25.7
153.01886	85.1
162.38011	17.1
167.07063	20.8
181.04936	28.6
203.17975	50.6
221.18993	100.0
229.09599	26.2
230.81934	16.0
313.14789	14.2
419.16162	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2641
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
51.11615	46.1
53.36921	48.4
55.05498	45.1
59.56993	43.9
70.75055	78.8
79.05486	61.9
81.07055	97.5
93.07039	68.6
107.08609	100.0
109.10152	97.3
117.96920	44.7
119.08581	84.3
135.11702	83.8
221.19025	62.7
239.92566	45.3
246.91508	47.6
281.22858	45.2
419.21014	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05685	22.4
56.58921	20.3
71.29956	26.3
81.07069	56.7
93.07014	28.0
95.08590	34.4
95.95510	22.1
105.07027	45.2
107.08591	68.4
109.10195	24.3
118.16071	22.1
119.08609	65.0
126.94854	21.7
131.04973	19.5
133.10138	36.1
135.11707	90.5
144.93571	20.1
153.01881	100.0
167.07059	30.9
181.05035	29.7
188.98366	19.9
190.21269	24.8
203.17993	53.2
209.08208	19.8
221.19089	66.4
419.20447	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48259	10.8
53.03957	15.8
55.05534	24.7
57.07076	42.4
67.05496	37.4
69.07080	33.0
71.05009	15.2
77.04890	11.5
78.88699	9.9
79.05511	31.9
81.07065	100.0
83.08626	22.2
91.05482	55.0
93.07030	51.7
95.04993	21.1
95.08614	73.1
98.23472	22.4
101.78586	11.7
105.07040	79.4
107.08605	50.5
109.06532	94.3
109.10151	41.7
111.08089	18.2
117.07052	32.9
119.08575	61.0
121.06564	21.3
121.10159	35.4
123.08158	12.5
123.11707	81.4
128.06236	14.9
129.06961	16.0
131.08612	56.8
133.10164	35.2
135.08093	63.7
137.06026	10.7
137.09668	23.7
137.13365	12.3
142.07816	17.9
143.08600	38.1
145.10167	54.0
147.08015	14.4
147.11678	24.3
149.09666	18.8
151.11232	25.1
155.08595	25.3
156.09283	14.1
157.10095	53.9
159.08170	13.6
159.11705	30.5
161.09604	28.5
163.07492	21.7
167.08621	10.9
168.09389	14.6
169.10167	38.3
171.08080	13.2
171.11743	40.8
173.13313	18.6
179.08521	13.6
181.10141	15.3
183.11691	34.6
185.09583	21.7
185.13274	15.7
187.14864	15.3
189.12712	13.0
193.10173	16.3
195.11739	43.2
197.13309	25.7
201.12726	19.4
205.10316	11.8
207.11671	17.1
209.13248	25.3
211.14767	12.3
213.12740	24.9
217.15898	14.8
223.14870	16.0
225.12817	24.4
235.14920	14.1
251.04726	25.5
265.15802	19.9
283.16962	12.0
283.20679	22.0
307.10953	17.4
363.17252	17.6
401.28427	32.7
419.29407	95.6
420.29886	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48281	1.1
58.65360	1.2
69.35232	1.3
71.28310	1.4
84.36815	1.4
91.05460	1.2
93.07014	2.1
118.49711	1.2
121.06500	20.7
133.71443	1.1
138.09140	5.1
153.01788	1.4
156.38007	1.1
170.06252	1.4
254.04073	1.2
263.93420	1.4
331.58014	1.3
404.11868	1.3
420.12671	100.0
421.13400	7.9
421.54132	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	420.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33478	1.2
65.03937	1.8
69.41844	6.1
85.02898	5.1
87.04482	1.7
91.05488	2.2
97.02911	3.0
98.23298	1.5
121.02868	100.0
122.03201	3.6
139.03894	6.8
173.04404	1.4
195.06468	3.2
195.53532	1.3
213.07574	15.2
241.57312	1.3
258.05219	2.4
278.60843	1.2
302.61435	1.3
337.96991	1.2
362.57422	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	420.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01878	2.6
55.05513	1.9
56.05039	7.0
57.03434	2.5
58.99593	13.7
60.88925	0.8
61.01174	1.8
67.05511	1.5
68.05023	2.7
69.03434	3.8
69.07077	2.0
69.11171	6.9
70.02988	2.3
70.06601	1.3
71.66492	0.9
72.04627	0.9
72.08134	1.0
73.01134	1.9
74.00684	2.8
75.76250	1.0
76.02229	20.2
76.02633	1.6
79.05489	6.2
80.05026	1.5
81.03423	1.9
81.07057	17.3
83.06096	2.1
84.04506	25.1
84.08131	1.0
85.01131	2.8
85.02934	5.2
86.00636	5.1
86.09715	7.4
86.99062	7.9
87.00833	1.2
87.02699	5.1
88.02222	3.3
90.05565	8.6
91.05473	1.5
93.07061	1.6
94.06552	1.6
95.04986	1.6
95.08602	5.0
96.08148	1.0
97.01147	1.2
97.02918	3.2
97.06525	2.5
98.09703	13.4
99.04474	1.5
99.05556	1.3
99.08099	4.8
105.01868	1.9
105.07034	3.3
107.04972	1.2
109.02877	1.5
110.09698	3.5
112.03966	3.0
113.04253	6.9
114.03739	1.0
114.05561	1.0
115.05812	2.3
116.01678	29.2
116.07098	6.7
121.06500	1.9
122.09695	2.2
123.04411	1.1
123.08096	2.4
124.03975	1.4
127.03923	4.2
127.05806	1.3
129.06621	3.1
129.07474	1.3
130.05003	5.5
130.06886	4.3
137.05937	1.4
139.05763	3.0
142.03252	2.1
143.02791	1.1
144.01154	19.1
144.06589	4.1
144.10260	2.5
145.04997	2.2
145.06859	1.1
149.06042	1.0
156.08435	25.1
157.06853	11.0
157.08841	1.0
159.07796	1.1
170.11754	17.4
174.09494	18.1
176.03786	17.0
177.05537	1.1
187.05368	1.1
189.31036	1.3
193.06450	8.2
195.01135	2.7
196.01543	3.3
202.27840	1.1
210.11296	4.1
223.13388	1.4
230.08540	4.6
233.05939	2.3
243.88091	1.0
256.10040	1.7
263.09268	1.4
273.12677	100.0
274.13028	4.0
285.12692	2.0
313.12204	4.8
331.13263	7.5
385.31711	1.0
420.20181	34.1
421.20532	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	420.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26213	0.6
54.30451	0.6
55.01865	2.1
55.05496	2.4
56.05033	6.0
57.03430	2.0
57.50121	0.6
57.98794	0.7
58.99588	10.2
60.04520	0.7
61.01155	0.8
67.05491	0.9
68.05025	1.9
69.07057	2.0
70.02964	1.5
70.06580	2.9
70.06913	0.6
70.99583	0.8
71.28596	1.2
72.08148	1.6
73.01118	1.7
74.00673	1.3
76.02232	16.8
79.05495	4.1
80.05019	1.2
81.05778	0.7
81.07059	14.8
83.06088	1.5
84.04504	17.7
85.01131	3.4
86.00645	4.7
86.09711	0.8
86.99059	6.6
87.02696	4.9
88.02208	2.7
89.65995	0.7
90.05553	6.9
93.07038	1.5
94.06596	1.5
95.04922	1.5
95.08627	4.0
96.08118	1.5
97.01109	1.5
97.06541	2.0
98.09699	11.2
99.08081	2.5
101.00567	0.8
105.07007	1.8
106.02905	1.2
110.09682	2.8
112.03967	3.4
113.04233	5.0
114.03731	1.0
114.81148	0.7
115.05790	1.5
116.01678	24.3
116.07097	5.8
118.80679	0.7
120.08109	1.1
122.09668	1.2
123.08086	1.1
124.03941	4.1
127.05781	1.2
129.06584	4.1
129.07402	0.8
130.03217	1.0
130.04971	3.2
130.06856	3.0
139.05743	1.6
142.03218	2.6
142.05061	1.0
143.02657	0.9
144.00087	1.1
144.01146	15.2
144.06566	3.5
144.10211	1.3
145.06741	0.7
153.01831	6.3
156.08437	23.3
157.06834	7.9
157.08809	0.8
159.07643	1.4
162.02193	1.0
170.02724	0.9
170.10213	1.3
170.11774	17.7
174.09467	14.4
176.03769	15.0
188.17612	0.6
189.12680	0.6
193.06401	5.8
210.11250	2.8
213.10533	0.9
216.47476	0.7
230.08432	4.3
233.05994	1.9
259.07617	0.8
273.12677	100.0
274.10474	1.0
274.13409	4.5
285.12711	1.8
313.12244	3.6
331.13254	6.3
338.00186	0.8
402.16718	1.7
420.20377	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44479	1.8
51.70997	1.7
52.45026	2.0
53.03942	5.5
55.01868	3.4
55.39639	2.0
57.03434	4.6
61.02928	3.2
69.03421	9.4
70.06590	9.7
71.29228	3.2
72.08176	3.0
73.02912	4.0
74.88776	2.2
78.82095	1.9
79.05483	6.0
81.03413	23.8
83.04967	7.6
85.02903	14.1
85.38796	2.0
86.09703	6.9
91.05482	44.4
92.05798	2.0
93.07041	15.9
95.04975	4.4
97.02884	12.1
97.06547	3.3
100.25586	1.9
105.07053	3.9
107.04961	4.5
107.08595	8.3
109.02885	4.1
110.90376	2.0
115.03944	2.1
117.07014	100.0
118.07345	5.0
119.08578	8.4
121.06532	5.2
123.04443	4.9
123.08099	2.2
127.03948	6.0
129.07025	2.5
131.08574	16.2
133.05008	3.6
133.06519	4.2
135.08058	19.7
144.33376	2.0
145.04977	5.6
145.06430	2.6
149.09608	14.6
153.27649	2.3
159.08028	11.7
161.05949	3.0
163.07555	22.0
177.09123	29.5
187.07552	5.1
188.87338	1.9
195.10167	34.2
205.08594	23.7
213.35657	2.3
214.12819	2.6
223.09647	52.9
224.10109	3.2
241.10721	55.4
242.11066	2.0
343.00851	7.0
367.14142	4.2
385.14087	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28770	2.2
57.03440	25.2
59.04989	4.5
60.04539	3.3
69.03433	69.4
73.02916	3.3
79.05473	2.5
81.03419	2.6
85.02426	4.1
85.02909	52.6
87.04002	3.3
87.04475	45.5
91.05486	100.0
92.05834	2.2
97.02898	71.6
98.03236	2.8
98.23389	3.9
105.07015	4.7
107.04971	8.9
108.39218	2.1
109.02832	2.8
115.03156	4.4
115.03937	67.2
117.07006	2.2
125.39816	2.4
127.03925	7.7
133.04979	75.3
133.06464	3.5
145.04951	10.5
150.07603	7.2
161.04448	2.6
223.09665	8.1
226.67038	2.8
253.10625	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57010	0.5
53.03939	1.4
56.04028	0.5
64.27385	0.5
71.27986	0.9
79.00620	0.6
89.82938	0.5
91.05495	4.3
93.07046	5.6
95.04976	1.8
103.05466	4.5
105.04497	0.7
121.06506	100.0
122.06841	3.5
127.02168	0.7
138.09135	24.8
139.09561	1.3
170.06325	0.8
222.33864	0.7
273.09021	1.5
313.29541	0.5
420.12836	1.3
421.10034	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	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
67.59692	0.8
69.03434	1.7
70.06597	18.8
71.08620	1.0
72.08165	1.5
79.05499	2.9
81.03432	1.7
84.04540	1.6
84.08144	1.0
85.02906	4.3
86.09711	3.0
91.05478	2.3
92.04975	2.2
93.07053	5.5
95.04990	1.1
97.02916	2.0
97.06523	1.0
105.07027	1.2
107.08617	1.8
110.06054	15.5
110.07215	1.0
120.08096	2.2
121.06523	1.7
121.10162	2.8
123.04424	1.6
129.28375	0.8
131.08612	1.7
136.07579	1.5
137.05971	1.9
148.05188	2.7
149.09586	1.3
159.07872	1.2
166.06291	3.4
167.07005	5.5
181.08604	100.0
182.08994	4.3
192.30922	0.9
194.91631	1.2
195.10179	3.0
196.09749	1.1
199.71561	1.0
212.28957	0.9
223.07549	1.7
223.09668	23.7
223.13383	1.2
224.09993	1.2
226.08420	2.1
241.10724	43.7
242.11090	2.4
249.11307	1.1
263.13956	6.9
273.12589	1.1
279.66223	1.0
294.32071	1.0
331.70172	1.1
361.02490	1.1
393.02664	1.2
420.20285	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	420.2016
Annotation	roquefortine F
Peak:m/z	Relative Intensity
54.15363	0.2
55.01871	0.5
55.05501	0.4
56.05037	0.2
57.74388	0.1
67.05502	1.3
68.02577	0.2
69.03436	4.3
69.07085	0.2
70.06588	0.6
70.53821	0.3
70.54143	0.2
71.05008	1.0
79.05510	1.4
80.05026	0.4
80.45107	0.2
81.03420	0.2
81.07045	1.0
82.06581	0.4
83.01349	0.4
83.04973	0.4
83.07352	0.2
84.04493	0.3
85.06542	0.6
86.06067	0.3
91.05492	2.1
93.07059	1.2
94.06582	0.3
95.04977	0.7
95.08587	0.2
96.08141	0.8
97.02917	0.3
97.06535	0.7
98.09712	0.3
99.04433	0.2
103.05447	0.3
106.06570	0.3
107.04983	0.4
107.08595	0.5
108.08123	0.7
109.06516	0.6
110.09666	0.4
111.08085	0.2
112.07632	0.3
115.05479	0.6
116.10730	0.3
117.07032	0.7
118.06496	0.2
119.04975	0.3
119.08591	1.0
120.08114	0.6
121.06522	0.5
122.09651	0.3
123.04424	0.2
124.07569	0.5
125.02392	0.3
125.09650	0.3
126.09175	1.0
128.88242	0.2
129.06937	0.8
130.06538	0.2
131.04903	0.2
131.08575	0.5
132.08087	0.3
133.06502	0.2
134.09674	0.7
135.04417	0.4
135.08078	0.6
136.07596	0.2
136.11215	1.4
137.05991	0.3
138.09123	0.2
139.03929	0.6
141.06999	0.3
142.07790	0.7
143.08566	0.4
144.08057	0.2
145.06462	0.7
145.10132	0.3
146.09593	0.2
147.04442	0.2
147.08070	0.3
148.07515	0.2
148.11223	0.4
149.06004	0.2
149.09653	0.3
149.12047	0.2
150.09145	0.2
151.07532	0.2
152.10698	1.3
153.01794	1.1
153.05472	0.6
153.06938	0.2
154.12271	6.7
155.08568	0.2
155.12627	0.2
157.06516	0.2
157.10153	0.4
159.08028	0.5
160.11252	0.3
161.06015	0.3
161.09682	0.2
162.09099	0.5
163.07533	0.4
164.10741	0.7
165.05627	0.3
165.06979	0.2
165.26393	0.1
167.03375	0.2
167.08583	0.4
168.10196	0.5
171.08060	0.4
173.06010	0.3
173.09665	0.3
174.12823	0.3
175.07553	0.4
176.10666	0.2
177.05528	0.2
177.09177	0.4
179.06943	0.2
185.09633	0.9
187.07542	0.3
189.05530	0.3
191.07001	0.6
192.13837	1.8
193.04971	0.6
195.08095	0.3
199.07578	0.3
202.12392	0.2
203.07072	0.2
203.10654	0.3
204.13754	0.2
205.04933	0.2
205.08694	0.4
213.09148	0.6
215.06953	0.3
217.12373	0.2
219.06554	0.8
220.13371	1.0
221.14043	0.3
222.14990	0.3
227.10605	0.2
232.07303	0.2
245.08047	0.2
247.09740	0.6
248.16475	0.2
249.07559	0.3
250.18001	0.4
259.09735	0.5
273.11304	0.5
278.17563	0.3
279.08765	0.4
290.13870	0.5
291.12265	3.9
292.12421	0.2
355.15680	0.3
374.19760	0.5
384.18185	0.3
402.19250	1.4
420.20166	100.0
421.20517	9.9
441.85297	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	420.2019
Annotation	roquefortine F
Peak:m/z	Relative Intensity
53.03944	0.7
55.01863	1.2
55.05523	0.9
56.05032	0.8
56.56760	0.3
57.03437	0.8
58.99586	1.1
67.05515	1.6
69.03442	0.7
69.07036	0.4
70.02929	0.4
70.06587	0.7
70.27256	0.3
71.05001	1.1
71.28998	0.4
72.08176	0.5
76.02235	1.8
79.05508	1.9
80.05016	0.9
81.07062	2.1
82.06593	0.3
83.01355	1.0
83.05023	0.4
84.04508	1.7
85.01159	0.3
85.02930	0.4
85.06538	0.7
86.99065	0.5
87.02679	0.4
90.05560	0.7
91.05475	2.4
93.07052	1.2
94.06573	0.5
95.04974	1.0
95.08626	1.0
96.08130	0.6
97.06513	0.4
98.09702	1.1
99.04476	1.0
106.06577	2.1
107.04977	1.3
107.08605	0.5
108.08128	0.4
109.06512	0.9
110.06074	0.5
111.08126	0.4
112.07632	0.4
114.03732	0.3
115.05482	0.4
116.01687	1.7
117.07029	1.0
118.06599	0.4
119.08588	0.9
120.08143	0.8
121.02901	0.8
121.06527	1.2
121.10147	0.5
122.09671	0.7
123.08038	0.8
127.03918	1.6
128.06235	0.5
129.07014	1.1
130.06581	1.4
130.51654	0.3
131.08604	0.9
132.08128	0.3
133.06519	0.7
134.09705	1.9
135.08063	0.5
135.11703	0.6
136.07608	0.4
137.05962	1.0
141.05504	0.8
141.07018	0.3
142.07761	0.4
143.08578	0.4
144.01184	1.3
145.06526	1.4
145.10176	0.7
147.08073	0.5
150.09192	0.4
151.03908	0.5
152.10756	1.0
155.03413	1.5
155.07014	1.2
155.08473	0.6
156.08391	2.0
157.06688	0.7
159.08087	0.5
161.09613	0.4
162.02127	0.4
163.11230	0.4
165.05489	1.7
167.07089	1.0
167.08470	0.4
170.11781	2.7
171.08012	0.4
172.08841	0.3
172.11250	0.5
173.09657	0.6
174.09483	1.0
176.03775	0.7
179.07059	0.4
183.06512	1.2
183.08041	0.7
185.09605	0.8
187.07442	0.5
187.11197	0.5
193.06509	0.4
195.06537	0.8
199.07394	0.5
201.09099	0.5
202.12144	0.4
205.08684	0.5
205.12186	0.4
207.06567	0.8
215.10774	0.4
218.11824	0.8
223.13397	0.5
227.10716	0.3
236.12862	0.5
237.94635	0.5
243.08629	0.7
244.09569	1.6
247.09766	0.4
251.71129	0.3
261.08914	0.4
261.11264	2.6
263.09198	0.8
273.13046	5.9
275.12646	0.4
290.13916	0.4
308.15399	0.3
317.42081	0.3
358.63898	0.4
378.15057	0.6
379.16098	0.5
402.19049	0.5
420.20200	100.0
421.04593	0.4
421.20456	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
71.27779	0.5
91.05474	2.6
93.07057	4.3
95.04964	1.0
103.05476	3.5
121.06507	100.0
122.06826	3.4
138.09140	28.1
139.09509	0.9
211.12059	0.5
234.66780	0.5
240.05118	0.8
263.83667	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32433	1.7
53.03946	1.9
57.07065	1.6
57.37639	1.7
67.05508	12.3
69.03437	2.1
69.07063	4.6
70.84880	2.4
79.05494	15.2
81.03419	4.7
81.07063	100.0
82.07398	2.2
85.02921	7.8
87.00838	3.0
91.05502	5.5
93.07036	5.3
95.04961	5.0
95.08601	18.1
97.02888	5.1
105.01871	5.5
105.07049	15.4
107.08610	3.3
109.10160	6.3
117.52682	1.6
121.06519	3.3
127.03919	7.3
129.07037	1.9
131.08585	2.6
133.10199	2.5
137.13258	17.9
145.04977	5.4
193.12224	1.8
231.05060	3.0
329.21011	3.3
361.10269	1.8
420.20483	8.3
421.21692	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09950	0.5
69.16768	3.9
71.08632	20.0
81.86562	0.6
84.04518	0.6
88.11269	100.0
89.11611	2.2
111.57894	0.5
116.01704	0.6
127.02131	0.9
130.55890	0.5
131.81427	0.5
139.03896	0.7
170.06400	1.9
171.06593	0.7
273.09024	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	2.0
55.05515	3.9
67.05505	9.3
69.07066	2.7
69.52172	1.5
69.54086	1.6
71.29285	2.0
79.05503	10.1
81.03424	5.7
81.07063	100.0
83.08617	2.9
85.02904	9.3
87.00847	4.6
91.05495	5.8
93.07041	3.2
95.04961	3.9
95.08608	9.9
95.84197	1.7
97.02919	2.8
97.95106	1.6
100.11265	2.2
105.01866	8.2
105.07050	4.9
107.04958	3.1
109.10212	8.4
111.08126	2.1
119.08613	3.7
121.06519	2.9
123.07912	1.7
127.03934	5.6
129.07126	1.7
131.08612	3.3
133.10170	2.7
137.12296	2.3
137.13277	26.5
138.13617	1.7
145.04948	2.9
145.10034	1.7
148.99907	1.5
149.09711	2.2
151.80783	1.6
159.02859	2.1
163.11235	2.5
165.80930	1.4
210.14986	1.7
223.16994	2.5
231.05060	4.3
249.05896	1.7
300.19968	1.8
329.21255	3.2
383.59045	2.1
403.24942	2.6
420.20447	4.9
421.21875	9.0
421.26907	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20943	0.6
61.79292	0.7
66.64072	0.5
69.03448	0.7
71.08632	21.2
71.46393	0.7
80.70293	0.6
86.27809	0.6
88.11272	100.0
89.11602	2.1
98.23400	1.1
121.06505	5.5
127.02137	1.1
138.09172	1.3
170.06346	2.9
217.94824	0.7
248.02579	0.8
273.09088	3.0
293.18549	0.6
399.30597	0.7
420.20200	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	421.1857
Annotation	Stilbostemin H 3'-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	2.5
55.01866	1.4
55.05506	2.8
56.34390	1.2
57.03426	1.9
65.03943	1.9
67.05511	16.2
69.03442	11.9
69.07076	2.1
69.95609	4.1
79.05488	7.6
80.05120	1.4
81.03416	25.2
81.07069	6.8
82.62572	1.3
85.02897	7.8
87.34605	1.5
88.04031	1.1
89.88097	1.4
91.05495	5.5
93.07050	12.1
95.04961	14.9
95.08605	8.0
97.02908	2.0
97.06500	3.2
97.10219	1.4
98.98460	3.3
99.04465	2.2
105.07029	5.1
107.04958	14.3
107.08579	5.6
109.02875	10.2
109.06540	3.2
109.10148	13.0
111.08076	1.5
112.83148	1.3
117.07017	1.4
119.08596	5.2
121.06525	5.6
121.10135	13.6
123.04431	100.0
124.04756	2.6
125.09641	4.2
127.03895	3.1
135.04381	6.8
135.08070	4.3
137.02354	4.9
137.05966	7.3
137.09619	11.3
143.08531	1.4
145.06540	1.9
145.10172	1.5
147.04436	6.3
147.08058	2.1
149.06000	5.5
149.09607	6.4
161.05981	16.5
163.07535	37.7
164.07951	1.9
167.10606	1.7
171.08101	1.9
173.06017	1.2
175.07555	9.7
177.09053	1.8
187.07619	1.6
189.09050	2.0
199.07451	1.4
201.09164	2.9
203.07030	21.1
203.10703	12.5
204.07301	1.3
212.08388	1.4
226.09982	1.7
231.13817	6.8
241.12231	14.6
259.13303	36.5
260.13693	2.5
265.10730	2.4
281.13879	1.6
284.61938	1.4
304.83633	1.3
358.78595	1.3
403.17505	8.5
421.18451	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	421.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	2.5
69.05864	3.7
69.06277	14.0
91.05488	3.2
93.07072	2.5
101.63861	1.9
105.89002	2.0
115.05460	4.0
121.06487	3.1
123.04408	2.2
128.06282	2.9
129.07014	9.6
131.08580	5.6
137.06042	3.5
141.06944	4.5
143.08646	2.6
144.05672	3.3
147.04449	2.2
151.03934	2.7
156.11687	1.8
157.06511	5.5
159.08078	14.1
161.09660	3.4
167.07027	2.4
170.07288	3.1
181.04988	5.1
187.07559	8.6
189.09099	5.0
199.07555	3.1
203.07016	3.5
204.07814	6.4
208.07362	2.3
216.05937	4.4
219.10133	3.7
225.07574	2.4
226.08302	2.5
231.10216	2.9
244.05327	3.1
249.11234	100.0
250.11646	6.8
257.69186	2.1
258.05341	2.0
259.09778	2.1
286.05164	7.3
287.05936	7.8
323.19357	2.3
329.06995	1.8
376.82642	1.9
403.11288	2.4
421.11795	24.4
422.12167	3.3
449.92389	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	421.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05510	0.8
56.15782	0.4
67.05504	4.1
68.45389	0.5
69.07063	1.5
70.07883	1.5
79.05508	0.8
81.03426	1.7
81.07043	1.5
83.04991	0.7
91.05476	1.4
93.07048	1.4
95.04970	1.5
95.08600	0.7
105.07052	1.1
107.04991	0.7
107.08620	0.6
109.06561	0.6
109.10153	2.0
111.64364	0.6
113.33415	0.4
119.08578	1.0
121.06505	0.5
131.08585	0.7
157.10149	0.5
173.11842	0.5
185.04231	1.0
193.12236	1.3
201.01826	0.8
201.03703	14.8
203.05267	2.6
243.17220	7.9
290.03485	0.5
329.21078	1.4
352.47855	0.5
421.21930	100.0
422.21909	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	421.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.01878	0.6
55.05511	2.5
57.03429	1.4
60.75401	0.5
65.03947	0.6
67.05506	11.8
69.03421	0.6
69.07057	0.8
71.04972	0.8
79.05509	3.2
81.03426	6.6
81.07056	3.6
83.08614	2.2
84.04501	0.7
85.02892	0.6
86.65921	0.5
91.05484	5.0
93.07063	3.1
95.04967	5.2
95.08607	3.8
97.02894	0.5
105.07021	2.1
107.04948	1.4
107.08604	1.7
109.06552	0.9
109.10153	6.9
111.08077	0.8
115.03912	0.8
117.07020	1.4
119.08600	3.0
121.06471	2.1
121.10254	0.6
123.04449	0.7
123.08034	0.8
125.09632	0.7
129.06984	1.5
130.04996	0.8
131.08566	1.7
133.06485	0.8
133.10110	0.7
137.09616	1.1
141.06982	0.6
145.10074	0.8
147.11687	0.6
149.09627	1.1
157.10132	1.8
159.11752	0.8
161.09628	0.7
173.11707	2.1
175.11192	1.1
185.09657	0.5
193.12267	3.0
201.03758	2.9
201.05235	0.5
203.05301	4.4
203.10692	0.7
203.12680	0.7
249.14816	0.6
285.09503	0.8
311.20135	0.9
329.21060	5.6
347.21994	1.0
353.15707	2.5
387.46466	0.5
403.24805	2.8
421.21841	100.0
422.22266	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	422.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85554	1.1
64.64630	1.4
69.63010	3.7
69.63419	2.4
79.05520	3.1
84.04473	1.4
84.08128	1.7
90.53944	1.2
98.23247	1.5
103.05483	2.0
105.07031	100.0
106.07387	4.9
114.55887	1.3
120.08145	1.9
122.09664	45.7
123.10017	3.5
126.60532	1.5
242.55869	1.3
349.84943	1.4
358.47324	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	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54387	5.3
55.05498	5.9
68.74177	6.2
69.03523	5.2
69.07082	8.0
70.06592	6.1
71.04980	5.6
71.14384	10.3
72.08147	11.2
77.54034	5.4
79.05482	14.1
81.07074	13.2
86.67849	5.8
91.05508	9.0
91.67487	5.2
99.04450	11.3
105.07054	8.3
107.04974	10.9
109.10159	19.5
116.01688	8.3
119.08562	11.7
120.08134	10.9
124.03976	9.3
133.10143	13.7
137.05968	15.1
137.09615	38.4
138.05296	8.3
143.08568	16.0
144.01204	8.0
147.08037	13.8
159.70338	5.5
161.09616	72.9
163.11179	7.0
165.09123	70.6
176.03746	16.1
177.10867	5.3
189.09152	15.2
196.09486	15.8
207.10178	78.1
225.11247	30.2
227.40215	5.6
233.98749	5.4
255.42911	5.0
260.96442	5.0
268.08234	11.5
275.12393	13.4
275.53821	6.2
293.14734	24.6
422.19019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2173
Annotation	CHEBI:69394
Peak:m/z	Relative Intensity
55.05475	0.3
56.05035	0.5
63.11419	0.3
65.89732	0.3
67.05503	0.6
68.05019	1.3
68.12981	0.3
69.03425	1.3
69.07070	1.0
70.06599	0.7
71.04966	0.5
71.27811	0.4
79.05485	0.8
79.83672	0.3
81.07041	1.1
82.06577	2.4
83.01344	2.4
83.07356	2.3
84.04510	0.4
84.08134	0.4
85.02958	0.3
86.06071	1.0
86.09686	0.6
91.05468	0.8
93.07047	1.0
94.06564	0.7
95.04974	0.6
95.08610	0.5
96.08143	4.0
97.02885	0.5
97.06532	0.4
98.06083	0.7
99.04456	0.4
105.07025	1.1
106.06581	0.4
107.08592	0.8
108.08124	0.7
109.06538	0.4
109.10179	0.4
110.09697	0.6
111.08103	0.7
114.05521	0.4
115.03926	1.0
116.05289	0.3
119.04938	0.3
119.08592	0.6
120.08109	0.9
121.06493	1.1
121.10162	0.4
122.09666	1.0
123.08020	0.6
123.10401	0.3
124.11275	1.6
126.12813	0.9
127.06321	0.5
131.08575	0.4
133.10164	0.4
135.08025	0.5
136.11221	1.0
137.09679	0.9
138.12807	1.4
140.07047	1.1
141.07831	0.3
143.03365	0.7
145.06612	0.3
145.10158	0.4
147.08037	0.5
147.11671	0.3
148.11221	0.6
149.05952	0.4
149.09616	0.8
150.12819	0.8
152.10721	0.8
154.12309	0.9
155.07047	2.3
159.08025	0.6
162.09148	0.3
162.12762	0.5
163.07533	0.4
164.14389	1.1
165.09053	0.4
166.08664	0.4
170.11794	2.6
173.09547	0.4
175.07422	0.3
176.14444	0.7
177.12849	0.3
178.15912	0.9
180.10043	0.3
191.06877	0.4
191.56950	0.3
194.11755	10.8
194.15459	0.4
195.12225	0.4
203.14386	0.6
204.13786	0.9
204.17422	0.5
205.15944	0.9
206.19060	0.8
206.53703	0.3
207.06421	0.3
208.13350	1.7
215.14355	0.4
222.14929	0.7
231.10141	0.3
232.17044	0.9
233.15698	0.3
240.28131	0.3
240.44356	0.3
250.18034	1.6
250.32697	0.3
275.12241	0.5
277.06909	0.3
278.17563	4.4
280.19165	1.0
318.20700	1.0
350.23367	0.5
360.21347	0.3
376.21078	0.5
378.22629	0.8
386.19620	0.4
390.19278	0.6
394.22247	1.0
404.20731	1.6
422.21732	100.0
423.13043	2.0
423.22049	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	19.4
61.49208	5.5
65.55547	6.0
66.17645	6.0
69.50330	29.1
70.06586	8.0
71.05016	12.8
74.00662	10.1
74.06087	7.0
81.07093	7.1
83.04992	7.7
84.04490	31.7
85.04045	6.2
95.04937	7.0
99.04465	51.2
99.05580	22.7
107.08610	27.0
109.06556	15.7
118.06561	6.7
121.06516	9.4
121.10217	6.6
123.08097	33.5
123.11742	8.6
125.09656	10.1
130.05003	41.3
134.15233	5.8
136.83412	5.8
144.20291	7.1
145.06111	17.2
149.03828	9.5
149.09619	16.9
153.06609	10.9
167.10689	20.7
170.44986	5.7
172.07971	6.5
177.03304	69.9
183.13814	18.2
188.07039	9.4
189.07497	15.5
199.07263	6.5
203.03450	10.6
207.02834	7.3
207.10178	7.7
207.13831	19.8
208.97653	7.7
225.14847	87.1
229.05011	13.1
231.02745	9.6
257.04651	12.1
259.02350	6.4
261.04077	7.0
275.10812	7.8
277.03500	11.6
285.03763	9.6
288.06439	7.4
289.03424	17.4
303.04968	9.9
305.02988	31.9
306.07666	7.4
313.03384	11.9
315.01437	10.8
331.04620	10.2
341.02908	10.6
359.03937	32.8
369.02359	8.8
405.04495	100.0
422.14270	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.2
57.03433	4.4
58.99578	2.0
67.05508	6.5
69.03426	3.9
69.07076	8.7
69.17330	8.8
71.05000	2.8
72.55692	1.6
79.05500	5.8
81.03413	1.8
81.07055	23.7
83.04983	8.1
83.08635	4.0
84.04505	2.9
85.02910	29.1
85.06560	3.5
91.05496	3.6
93.07045	13.2
95.08601	18.5
97.02888	2.1
97.06532	9.6
99.04425	3.0
105.07040	29.5
107.08594	19.3
109.06502	5.0
109.10159	2.7
111.08093	8.9
113.09658	17.3
115.07569	3.2
116.01657	4.2
119.08596	14.8
121.10145	11.5
122.15001	1.7
123.08079	7.5
123.11710	19.0
127.07583	2.0
133.10088	2.2
137.13338	2.1
139.07504	3.0
141.12767	7.8
144.01128	3.1
145.10153	2.1
147.11687	52.4
148.12064	2.1
149.09624	2.3
159.08389	2.6
161.13261	4.2
165.12759	26.6
176.03757	4.8
179.14343	3.6
183.13876	3.4
183.19592	1.6
183.37347	1.8
189.12814	4.4
199.13261	2.1
207.13812	17.0
216.75705	1.9
225.14864	100.0
226.15195	5.5
230.81221	1.6
243.15852	13.4
422.22064	8.2
423.22073	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	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05518	5.2
57.03449	4.7
57.59059	1.9
67.05506	4.2
69.03450	1.7
69.07072	5.9
69.19604	6.9
69.20012	4.5
71.04975	1.7
79.05494	4.6
81.07071	19.4
83.04996	4.8
83.08646	2.3
85.02905	30.3
85.03375	2.8
85.06570	3.3
89.50898	1.7
91.05487	5.1
93.07041	12.2
93.64796	1.9
95.08603	16.2
96.64400	1.7
97.06535	10.0
99.04477	7.5
99.08125	2.5
105.07030	18.7
107.08595	12.9
109.06543	4.0
111.08101	4.8
113.09663	15.5
115.07600	1.9
119.08596	13.9
121.06535	2.1
121.10157	11.0
122.10423	2.0
122.30872	1.7
123.08099	5.6
123.11722	9.5
139.07495	2.0
141.12732	8.6
144.01170	3.7
145.10172	1.9
147.11690	38.8
149.09702	1.8
159.08458	2.1
161.13272	3.9
164.93181	1.7
165.12773	26.5
167.10686	2.2
176.03833	6.7
183.13805	4.1
189.12750	2.6
207.13815	17.3
225.14868	100.0
226.15115	5.2
243.15918	12.6
275.12137	2.6
422.21899	3.5
423.12650	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	423.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93844	0.3
69.03464	0.4
70.68320	0.5
70.68657	0.6
75.32419	0.5
79.05506	0.4
90.96954	0.4
91.05447	0.4
100.04424	0.7
109.02858	0.3
115.71535	0.4
120.08144	0.5
127.00027	0.4
130.06581	0.7
147.43611	0.4
149.09561	0.4
159.09174	1.2
167.03160	1.5
167.07039	1.3
170.06032	0.9
174.02917	1.1
175.03670	5.7
185.04214	1.9
203.03194	0.8
225.14854	0.9
227.05278	5.0
271.04236	7.3
319.08072	0.5
336.44299	0.5
337.08936	6.8
347.07291	0.6
361.08878	0.6
379.10001	53.2
380.10324	3.4
382.67752	0.4
423.08990	100.0
423.15878	6.3
424.09323	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64399	0.3
70.56043	0.8
80.77039	0.4
86.09714	3.1
91.05477	0.7
96.46067	0.4
102.64330	0.3
107.04908	0.4
110.07168	0.7
119.04969	0.7
120.04486	2.1
123.00571	1.3
126.44181	0.3
136.07600	1.1
137.05968	0.5
138.05305	0.6
141.01610	2.5
157.12013	0.4
158.05757	5.0
160.03716	5.8
174.05507	0.7
179.06987	0.4
196.09763	0.7
200.18398	0.6
202.05046	0.9
204.06357	4.0
216.81491	0.4
218.08160	0.6
230.07967	0.9
242.04237	6.5
243.04391	0.5
258.07397	2.3
260.05316	23.7
261.05667	1.3
277.06784	0.8
286.06879	11.8
287.07178	0.7
304.07910	15.4
304.11438	0.8
305.08289	0.8
323.10126	0.5
327.13007	0.6
339.79559	0.4
405.10556	0.7
423.11639	100.0
424.11957	9.0
424.18442	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	423.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87728	0.5
91.05479	1.0
98.22561	0.9
106.70743	0.4
121.06469	0.5
138.62973	0.4
165.05498	0.4
167.07120	1.4
171.02667	1.1
181.04944	0.8
193.04987	0.5
213.03749	0.9
233.07858	11.8
234.08252	0.6
235.40831	0.4
259.00305	0.4
261.07373	3.2
275.08563	2.2
275.11121	1.4
306.01538	0.9
329.10367	0.5
331.11694	0.4
347.11017	0.5
381.71573	0.5
405.11743	0.6
423.12631	100.0
424.13004	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	423.1288
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	2.3
57.01720	1.3
64.80191	1.3
67.05510	1.6
69.03431	3.7
69.34355	9.1
70.06596	15.0
78.04725	4.2
79.01869	4.0
79.05508	7.2
81.03418	6.9
85.02913	4.3
86.09696	2.1
91.05491	12.5
92.05793	1.3
93.07082	1.9
95.04990	3.3
97.02891	2.8
103.05468	5.2
105.07018	7.0
106.04164	3.4
107.01350	2.6
107.04967	6.5
109.02901	4.3
109.06527	1.7
111.72677	1.3
115.05451	2.2
117.07082	2.3
121.06559	1.8
123.04446	9.6
124.05204	4.1
125.02370	3.3
125.54433	1.4
127.03931	5.3
128.06189	1.4
131.04965	6.4
133.06512	4.1
134.52393	1.6
137.05998	3.5
141.10245	1.8
143.03447	6.4
144.05672	1.6
145.06514	2.4
151.03923	2.5
151.07568	2.8
152.04674	2.0
153.01840	100.0
154.02194	3.1
161.05995	5.7
163.07513	12.1
163.08516	1.3
167.07045	92.8
169.06586	1.4
171.02899	10.3
175.07573	1.9
179.07104	2.0
181.08635	2.8
187.07489	2.3
192.07893	1.5
193.08624	15.3
197.05856	1.8
219.10217	2.4
233.11705	3.2
237.11253	2.8
257.08304	1.7
264.34961	1.8
297.06100	5.3
315.07135	5.4
355.15430	2.3
377.01810	2.8
395.02771	1.9
408.71384	1.6
415.38101	1.5
423.14340	1.6
423.20016	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	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
65.98778	0.9
67.05509	4.8
69.02596	2.2
69.02993	6.2
69.07052	0.9
81.07049	3.7
81.28618	0.9
91.05488	1.4
93.07056	2.0
95.08619	1.2
101.06030	1.9
105.07095	1.3
109.10142	3.2
133.10103	1.2
165.09058	1.1
197.13153	0.9
203.05286	5.6
207.93123	0.8
209.99542	0.9
292.12698	1.1
423.23511	100.0
424.18634	1.5
424.23843	8.8
429.75314	1.1
436.47800	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	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.20856	0.4
55.05517	5.3
57.07074	0.7
67.05513	6.0
69.07066	1.6
70.06843	1.4
74.83292	0.5
79.05496	2.2
81.07062	4.8
82.06579	1.6
83.04984	1.2
83.08613	4.1
84.04503	0.9
84.08137	0.4
86.68849	0.4
91.05472	2.1
92.50710	0.5
93.07034	1.9
95.08609	2.1
97.06537	0.7
98.09711	0.8
100.07647	0.7
100.09405	0.5
100.11261	12.7
101.11597	0.5
105.07017	1.0
107.08592	1.7
109.06533	0.6
109.10164	3.4
110.06033	1.1
111.04439	1.6
117.13918	0.5
119.08556	0.8
121.10136	1.3
128.07127	0.8
130.05008	1.0
133.10136	0.7
135.11685	0.8
139.61029	0.5
141.11467	0.6
144.36853	0.4
147.11731	0.7
147.13454	0.4
149.13264	1.1
159.11578	0.6
161.13295	0.4
168.13757	0.5
169.60817	0.5
173.11784	0.7
179.14272	0.9
182.15416	4.2
183.16150	0.5
201.03683	1.1
203.05270	6.1
209.16510	2.0
210.14902	4.9
211.15306	0.5
213.17815	0.5
226.19167	0.5
227.17517	1.6
246.71216	0.6
261.18289	0.4
266.24808	3.6
283.27463	1.2
310.24405	2.2
310.74597	0.7
322.21548	0.5
343.30463	2.0
348.28687	0.5
359.79590	7.7
360.29645	2.3
365.31699	0.7
376.28455	0.6
414.32104	1.6
414.82013	0.7
423.23489	100.0
423.82852	1.0
424.18109	0.7
424.23801	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99622	0.8
53.03942	0.9
55.01886	1.5
55.05516	6.8
57.03443	2.9
57.07079	5.4
60.20346	1.0
67.05508	10.7
68.01201	0.8
69.01836	1.8
69.02236	4.7
69.07072	13.5
71.04998	2.2
71.08633	3.0
79.05507	6.9
81.07059	18.1
83.04995	1.2
83.08622	5.4
85.06539	2.3
89.05993	1.7
91.05497	6.1
93.07047	10.1
95.04979	1.3
95.08614	16.7
96.59760	1.1
97.06519	2.8
97.10172	1.8
99.08078	1.2
105.07042	10.1
107.08598	11.7
109.06525	14.0
109.10167	8.6
111.08102	2.0
117.07022	1.9
117.29533	0.8
119.08587	10.8
121.06519	1.8
121.10148	8.3
122.07315	1.3
123.08077	49.2
123.11719	3.9
131.08594	3.2
133.10159	6.6
135.08040	9.2
135.11690	5.4
137.09637	3.1
143.08562	1.6
145.10150	4.1
147.11723	5.3
149.09599	2.4
149.13283	3.9
157.10155	2.5
158.68057	0.9
159.11723	5.4
161.09538	1.0
161.13278	3.5
163.11134	1.1
165.09111	1.2
165.12767	1.6
167.14412	1.4
169.36493	1.0
171.11765	1.1
173.13261	2.8
175.14850	2.9
177.12717	4.4
178.50294	0.9
179.14320	46.3
180.14636	2.4
187.14757	0.9
189.16370	2.2
193.15883	1.7
197.13225	0.9
205.16063	1.8
215.17972	2.6
215.94421	1.1
221.15498	1.2
233.18938	1.2
239.14981	1.3
247.20580	1.9
263.20047	1.7
275.20087	4.9
289.25363	1.5
293.21179	3.7
303.26794	4.3
303.40726	0.9
331.26315	32.7
332.26700	3.2
343.23859	0.9
349.27304	11.3
367.24692	1.9
405.30014	2.7
423.31082	100.0
424.31418	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	423.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
55.05516	27.2
57.03422	3.2
57.07079	31.9
67.01858	4.7
67.05495	17.1
68.99789	22.6
69.07067	37.5
70.51163	7.5
71.08632	17.1
71.77943	3.0
75.49669	2.8
79.05484	12.3
81.07056	15.8
83.04991	7.8
83.08608	19.1
85.10174	4.0
89.06045	3.8
92.87145	2.9
93.07024	19.5
95.08585	19.5
97.06530	9.2
97.10172	12.4
104.54676	2.8
105.07037	7.9
107.08618	15.6
109.10172	9.0
111.00801	46.3
111.04463	15.0
111.08064	5.9
111.11668	2.8
119.08604	5.4
121.06507	3.6
121.10157	13.3
123.08078	3.2
125.05962	4.2
125.09602	4.3
126.03087	6.4
127.03900	13.3
133.08578	5.6
135.08133	4.3
135.11674	10.7
139.03912	35.7
139.07483	4.5
149.09631	3.7
149.13246	5.2
159.11737	3.6
163.11082	4.3
163.14861	5.4
167.06967	7.0
167.10687	5.1
174.82938	3.0
181.08612	5.9
191.10553	3.2
195.10182	6.7
195.13940	3.6
197.13252	3.0
199.13312	3.0
209.11807	17.1
223.13268	18.6
237.11124	4.8
237.14853	14.6
251.16399	22.9
256.51688	3.1
265.18015	20.2
279.19653	19.1
293.21091	18.4
307.22635	15.3
321.24136	14.4
321.31540	5.0
335.25821	12.1
349.27435	8.6
363.28699	4.2
405.33603	100.0
406.34012	13.9
423.35101	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	424.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.77602	0.6
65.03930	1.3
67.01861	2.1
68.99804	3.9
69.03432	1.6
70.09938	1.9
74.00681	0.6
78.18340	0.5
81.03409	1.4
81.33050	0.6
85.01125	2.7
86.09686	0.7
86.99068	0.8
97.01121	1.6
97.02909	2.1
99.02666	1.6
107.01300	0.8
109.01098	0.6
109.02904	0.9
110.05991	0.7
111.00806	2.8
111.04448	1.8
113.00587	4.2
120.01177	0.9
121.02898	1.3
122.98967	0.7
123.04413	2.0
124.03943	3.1
125.00595	1.9
125.02337	2.9
127.02142	7.9
127.03931	1.4
129.01765	0.7
137.02338	2.6
139.03894	3.7
141.00063	15.2
147.04375	0.7
149.00581	0.8
149.02342	3.2
151.02103	0.9
151.03984	0.9
153.00081	8.4
153.01831	100.0
154.02168	2.6
155.01620	51.2
156.01933	1.3
156.99545	1.5
157.05006	1.4
157.78822	0.7
163.03761	0.7
165.00127	0.9
165.01845	1.9
166.02591	1.6
167.01634	0.7
168.99551	2.4
171.02896	3.9
177.01778	0.9
179.01633	9.3
179.03394	5.3
180.99551	16.1
181.01312	7.3
183.01108	5.9
184.98999	1.0
189.05431	0.7
191.01695	0.7
194.02222	2.3
195.02898	64.1
196.03250	1.8
197.04362	0.7
200.04713	1.3
203.03342	0.9
204.99623	1.1
205.03200	1.0
207.01103	0.8
207.02902	0.9
208.04262	0.7
208.99045	5.6
217.04944	1.3
217.06961	0.6
219.01050	2.9
223.02338	1.0
228.04170	1.9
229.04964	1.9
231.01100	2.0
233.02620	1.2
243.01057	0.6
245.04419	3.9
247.00508	2.8
249.02115	0.8
251.00114	0.8
255.02982	1.9
256.03662	2.2
257.04333	1.0
259.00607	0.8
261.02161	5.9
268.08188	1.5
271.00580	2.9
272.05881	4.5
273.03958	2.5
274.04654	3.7
275.00104	1.4
279.03165	1.0
284.03177	10.2
285.03961	4.3
289.01678	6.5
297.02008	1.6
299.05475	1.0
302.04236	8.5
307.02652	1.4
315.03204	1.5
317.01123	19.2
318.01419	1.9
325.01608	1.8
335.02206	48.8
336.02466	3.3
343.02750	6.9
344.02823	1.1
361.03738	7.6
370.03641	0.8
371.02200	4.8
388.04755	2.4
389.03226	3.6
389.36371	0.6
406.05960	3.8
407.03922	9.0
408.05035	0.9
424.06888	6.3
424.26797	0.7
425.08221	2.0
425.13773	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	424.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.7
57.76839	0.7
63.24618	0.8
69.68794	0.8
70.49392	1.2
70.49706	1.2
85.30558	0.9
91.05483	0.9
100.61871	0.8
102.50749	0.8
103.05480	1.0
115.05459	3.0
117.06997	1.9
118.06554	33.5
120.04475	1.5
130.06537	100.0
131.06895	3.1
132.04463	2.9
132.08070	5.0
142.06551	9.2
143.07306	2.8
144.08098	19.0
146.06018	84.1
147.06374	2.9
158.06036	1.5
159.09178	18.9
159.10503	1.0
160.07610	2.3
160.44901	1.0
168.08031	0.9
170.06007	19.5
174.05524	21.2
181.07637	1.8
185.07162	1.0
188.07079	91.6
189.07478	3.4
195.09171	1.9
202.04993	35.5
203.05377	2.5
205.09761	2.5
213.10249	1.9
220.06070	11.4
223.08737	5.0
241.09735	28.5
242.10126	1.4
250.30669	0.9
259.10883	3.4
260.21341	0.9
263.12512	1.0
269.09229	10.9
287.10275	54.3
288.10605	3.4
346.40768	0.9
419.44604	0.9
424.23959	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	424.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.9
55.05511	2.0
57.38524	1.2
67.05507	3.4
69.03435	4.4
69.07072	4.6
70.06643	2.6
70.06981	1.4
71.05003	2.5
79.05508	6.5
81.07066	7.7
85.02917	4.3
85.06564	7.5
86.09756	1.5
90.50104	1.2
91.05500	3.2
93.07048	16.3
95.04966	3.1
95.08614	5.6
97.02897	2.5
97.06532	7.2
98.23325	1.4
99.04469	6.4
104.10716	2.0
105.07042	13.4
107.08601	28.5
109.02869	1.3
109.06541	3.9
111.08111	2.3
113.06032	4.0
117.07041	2.2
119.08588	7.0
121.06503	9.7
121.10151	17.2
123.08083	4.2
131.08568	1.2
135.08058	2.6
135.11673	7.1
138.05275	1.2
145.04921	1.9
145.10098	12.2
147.11688	2.1
149.09648	5.4
151.07582	3.4
163.11179	43.0
164.11617	2.0
167.10683	14.8
169.08606	41.9
173.09669	3.6
181.12242	16.6
184.07333	1.4
185.11755	10.0
191.10654	26.3
191.12228	1.7
192.10928	1.9
209.11736	30.9
210.12289	1.5
227.12785	100.0
228.13147	3.8
230.07762	1.7
245.13899	6.7
306.66110	1.3
327.13202	2.1
384.96127	1.4
424.18481	8.8
444.34485	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17887	3.9
57.03441	3.6
57.40462	4.0
69.03436	5.3
69.07045	3.9
69.22337	27.7
70.06593	3.9
71.04990	6.1
79.05493	12.3
81.03419	7.2
81.07053	11.4
85.06541	6.5
86.09701	8.7
91.05509	7.4
93.07024	19.9
95.08591	8.7
97.06538	5.9
99.04492	6.8
105.07050	13.3
107.04940	8.4
107.08618	28.2
109.02864	5.0
109.10192	3.8
113.05972	5.3
118.51266	4.0
119.04970	6.0
119.08593	5.5
121.06534	8.6
121.10162	17.6
123.08104	4.7
126.48786	4.4
135.11697	11.6
136.07568	15.9
137.06001	5.9
145.10132	18.5
149.09645	8.3
163.11212	47.8
167.10669	14.2
167.79013	4.7
169.08633	46.5
179.06953	5.7
181.12263	15.5
185.11845	8.3
185.91772	4.4
189.10695	4.0
191.10669	27.9
196.09689	11.2
201.12332	8.7
209.11760	31.8
220.32335	4.5
227.12790	100.0
230.07840	5.9
245.13724	5.0
262.07974	4.6
327.13110	18.5
371.16937	6.0
385.66354	4.1
424.07919	7.0
424.18375	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25823	16.3
54.39173	15.4
69.20885	100.0
70.06600	19.2
86.06049	21.6
93.07087	20.1
120.08154	25.5
121.10191	53.0
123.94163	17.8
130.06465	19.1
141.64909	16.8
153.01866	48.2
182.08192	15.3
209.15387	97.0
222.98053	16.3
262.07068	22.5
309.14093	17.5
424.16809	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51263	6.3
56.24853	5.8
70.06589	32.2
72.08177	6.6
88.11459	5.7
118.45809	5.4
183.14941	8.5
211.97661	6.6
227.59476	6.1
271.14227	6.4
362.82162	7.2
425.08591	100.0
425.17715	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1077
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
67.05529	4.7
70.06602	7.4
71.02684	9.5
73.45248	5.0
81.03429	6.5
84.08154	5.9
86.09682	6.0
91.05544	4.8
97.02880	8.1
102.12836	10.5
110.07188	25.4
111.19752	4.9
143.03433	7.7
149.86473	4.6
153.01831	100.0
153.02895	4.2
156.07657	7.0
171.02864	6.7
213.12331	8.5
269.12436	6.6
270.12918	7.7
287.05380	7.6
297.06039	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	425.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	3.4
69.03430	1.1
70.30116	2.0
79.05469	0.9
82.17550	0.8
89.03922	0.9
91.05468	1.6
93.07052	1.3
93.23686	0.8
95.04970	8.4
103.05511	1.1
105.06989	0.9
111.00809	1.2
115.05440	0.9
117.03368	4.2
119.04926	1.9
119.08617	0.9
121.02888	1.0
121.06503	1.5
121.60399	0.7
123.04432	34.7
133.09196	0.8
139.00290	2.2
143.04959	3.0
145.02853	13.6
145.03967	1.4
145.06473	1.5
147.04434	7.0
149.06020	2.0
151.07558	3.5
155.04916	6.6
160.05180	0.9
165.05482	9.3
173.06055	2.2
175.07645	1.0
177.05475	38.3
178.05792	1.8
183.04411	5.8
186.03111	1.0
191.07077	1.6
195.96078	0.9
200.04697	2.4
201.05421	13.8
211.03917	3.7
215.07011	5.2
219.06532	2.3
228.04088	1.0
233.08115	2.1
239.91428	0.8
243.06509	3.5
261.07596	100.0
262.07901	5.2
287.05521	3.8
287.09021	1.9
313.07086	13.0
314.07510	1.1
331.08121	1.0
365.10135	4.7
407.11182	1.1
425.17252	2.8
425.21597	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	425.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44199	0.8
68.99789	6.8
69.03414	1.2
69.07071	1.7
69.17609	3.1
69.18016	1.4
76.15273	0.6
81.07035	0.8
85.02931	1.5
88.25997	0.7
89.03933	1.4
91.05479	1.4
93.07014	1.1
95.01336	1.7
95.04978	8.6
95.08619	1.1
95.18404	0.8
98.22585	1.3
103.05453	0.8
105.07054	0.9
107.08589	1.1
111.00794	1.3
115.05429	1.2
117.03369	4.3
117.07011	0.9
119.04959	2.4
123.04431	34.0
127.05666	1.0
131.04941	0.9
135.04321	0.7
136.05208	1.2
137.05896	0.7
139.00299	4.5
141.06999	0.9
143.04938	3.6
144.05673	0.9
145.02866	18.2
145.06445	1.4
147.04404	9.2
149.05968	2.5
151.03868	0.9
151.07529	4.5
155.04936	6.4
155.06059	1.4
159.04434	0.9
160.05132	1.5
162.03146	1.1
165.05492	6.8
173.06007	2.5
175.07494	1.7
177.05475	43.7
178.05838	1.9
183.04408	8.6
187.07681	1.9
191.07028	1.6
193.95267	0.7
200.04735	2.5
201.05450	14.2
202.05751	1.2
202.59326	0.7
211.03978	2.5
212.04701	0.9
215.03485	1.7
215.07016	5.4
219.06551	2.7
223.07457	1.2
227.19838	1.4
228.04193	1.4
229.04916	2.1
233.08145	3.7
243.06593	3.9
245.20958	2.1
261.07596	100.0
262.07886	5.3
266.77652	0.7
287.05466	2.9
287.09116	2.6
303.73465	0.7
313.07089	13.3
365.10242	6.9
407.11191	1.0
425.21298	6.2
425.27118	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	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
57.05360	0.4
60.10141	0.5
69.14394	3.1
77.91367	0.5
91.05456	0.7
92.23310	0.5
100.51782	0.5
112.92458	0.5
119.04936	0.5
123.04453	1.3
123.05363	0.4
139.03903	0.7
153.01849	0.9
153.06601	1.3
165.51404	0.5
191.03445	0.6
194.04445	0.5
203.03452	1.0
229.04935	0.7
245.04466	1.2
257.04556	0.7
263.13837	0.7
284.66461	0.6
287.05661	1.6
293.10236	0.7
299.05536	2.3
407.07849	0.7
425.09140	3.7
425.14169	100.0
426.14575	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51310	1.5
64.71887	1.6
67.05524	2.9
69.07074	1.9
69.14021	7.8
69.14445	5.4
75.24955	1.9
79.05501	3.0
81.07043	8.3
85.02885	1.8
93.07068	2.5
95.08617	6.9
101.00911	2.0
107.08555	1.8
119.01896	3.4
121.02885	5.4
123.04467	1.7
147.04445	2.1
161.02968	2.1
164.51717	1.7
165.09174	3.6
187.00880	1.7
238.02606	1.8
243.04765	14.6
245.06390	8.7
287.03729	100.0
288.04083	3.6
289.05313	88.3
290.05692	5.8
299.05542	3.9
309.07437	2.0
365.06470	8.5
365.92908	2.1
381.18927	6.9
383.07828	4.6
425.17798	58.4
425.24506	5.5
426.18289	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	425.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84105	0.4
58.29681	0.4
59.04994	2.3
67.05499	0.7
69.85664	0.8
69.86062	0.8
81.07042	0.4
95.08623	0.4
97.06515	0.5
119.01946	0.7
138.12393	0.4
141.05264	0.4
203.05351	0.5
221.05179	1.3
227.05249	0.8
271.04208	1.2
321.16757	0.7
339.17786	3.6
381.18829	31.5
381.48874	0.4
382.19254	3.3
425.17810	100.0
426.18140	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	425.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
58.72190	0.6
67.05479	2.0
68.10942	0.8
69.03420	0.7
69.07042	2.3
69.21498	4.1
81.03410	1.1
81.07056	3.1
84.04475	1.5
91.05443	0.7
93.07056	1.6
95.08587	1.5
98.22550	1.3
98.24487	0.7
105.07035	0.9
109.10150	0.9
119.01865	1.0
129.06641	0.9
130.04991	1.8
130.06512	0.7
135.04422	1.0
139.03882	1.4
143.03409	1.1
146.06013	1.1
147.33186	0.8
149.02388	1.0
153.01837	17.2
153.02963	1.4
157.58380	0.7
165.52045	0.6
177.05461	0.8
180.90369	0.7
185.04253	1.3
188.06898	0.7
189.07430	0.9
203.05287	0.8
209.62726	0.6
245.06322	3.7
263.12561	100.0
264.12900	5.4
271.04166	0.8
289.05295	30.2
290.05585	0.8
381.18985	1.4
405.55963	0.8
425.17828	49.1
425.24646	5.8
426.18195	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	425.1783
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
52.34143	0.3
67.19889	0.3
67.96716	0.4
69.21749	0.4
70.06584	0.4
71.28137	0.4
83.08625	1.5
97.02664	0.4
105.30423	0.3
107.08585	0.7
109.02652	1.1
113.02133	0.6
116.30264	0.4
121.10147	0.4
125.09657	0.4
155.03500	0.3
158.11670	0.5
167.10439	0.6
169.04765	0.4
171.69942	0.3
178.05022	0.5
185.04338	0.9
201.03720	5.5
203.05251	0.7
205.08382	2.6
235.12898	0.4
245.11502	3.1
263.12567	1.0
270.37012	0.3
307.06717	0.3
327.14395	1.8
338.93152	0.4
381.11557	0.6
397.18213	1.6
420.97961	0.4
425.17831	100.0
426.18118	7.4
430.57138	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	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75251	0.4
55.05483	0.6
59.45626	0.5
67.05475	0.9
69.44801	1.9
79.05468	0.6
81.07013	0.6
88.68143	0.5
91.05461	0.7
95.04971	0.5
95.08596	1.0
98.35841	0.5
107.04943	2.4
108.05274	1.2
109.10158	0.7
130.05034	0.7
131.08560	0.4
141.12309	0.5
149.02325	0.9
185.04364	0.4
193.04993	1.2
237.07594	2.7
263.12543	100.0
264.12949	4.3
300.95593	0.5
315.82446	0.6
381.18704	0.6
425.17801	28.9
425.24591	3.4
426.18201	1.7
426.25098	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	425.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55559	0.8
61.42408	0.7
67.05519	1.2
67.98786	0.8
70.21904	0.8
91.05505	1.1
95.08585	1.0
96.37149	0.8
109.10133	1.2
170.48959	0.8
173.83421	0.8
192.83002	1.0
193.86615	0.8
194.41519	0.9
309.16849	0.9
315.15576	0.9
364.80081	0.9
407.25989	1.0
418.45465	0.9
425.25122	100.0
426.25439	8.6
431.19876	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11085	1.6
63.31145	1.9
71.64081	1.7
98.22539	4.2
126.02898	3.1
127.81174	2.0
139.03682	6.3
148.77518	1.7
207.09889	5.1
239.12485	2.1
251.12474	4.2
287.12360	2.0
307.14905	2.9
309.16803	4.9
363.25229	2.1
391.24530	100.0
392.24808	7.1
407.24051	47.2
408.24133	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.95479	5.6
55.05523	18.9
57.07068	13.4
59.83484	5.5
62.59597	5.9
67.05516	30.7
67.53031	6.0
69.07074	56.0
71.28278	6.0
73.78785	5.7
73.95032	5.9
74.60558	6.5
79.05508	22.5
80.40257	5.5
81.07068	100.0
83.08627	13.9
91.05497	25.0
93.07042	71.7
95.08619	84.0
97.10177	7.7
98.22572	13.9
105.07035	44.1
107.08625	76.1
109.10175	74.1
119.08609	47.6
121.10155	79.6
123.11720	34.1
131.08592	8.7
133.10129	35.5
135.11693	60.6
137.13300	19.8
145.10124	16.2
147.11699	30.6
149.13268	35.7
159.11713	13.7
161.13281	18.2
163.14857	21.7
173.13274	11.3
175.14827	33.4
177.16399	32.1
185.22710	5.8
187.14844	14.1
189.16428	23.5
191.17900	8.6
195.17583	9.3
201.16438	12.1
203.18025	17.5
215.18092	12.1
217.19556	19.3
229.19345	9.2
231.21155	19.7
232.68864	6.6
242.25789	6.2
283.24408	6.7
285.26053	7.2
407.36850	18.8
425.37845	62.7
426.38171	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	426.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23925	0.4
51.02365	0.6
52.98691	0.3
53.03943	0.8
55.01859	0.5
60.30655	0.3
67.05505	0.7
68.68623	0.3
68.82964	0.3
68.99796	2.2
71.30441	0.3
77.03932	0.8
79.05464	0.3
80.05018	0.3
81.03407	0.5
81.07108	0.2
89.03913	1.2
91.05468	0.6
92.05005	3.4
95.04983	1.3
101.56143	0.3
105.03399	2.2
105.04524	0.3
105.07091	0.3
107.04939	0.5
108.04489	0.8
108.55392	0.2
111.00811	4.5
111.04436	0.8
112.01170	0.3
115.05418	0.3
117.03391	0.9
117.07045	0.3
119.04977	0.7
123.04433	84.6
124.04766	1.9
127.03902	0.5
131.34648	0.3
133.06516	0.3
135.04422	11.3
136.03893	3.4
136.04747	0.3
139.03906	16.7
140.04254	0.4
145.06491	0.6
147.04414	11.8
149.02423	0.4
151.03880	2.0
153.07011	0.5
154.04994	100.0
155.05360	3.0
157.06563	0.5
161.05986	0.7
163.03922	2.3
163.07529	2.1
175.07603	0.4
181.06526	0.5
185.05917	0.4
189.05450	2.2
190.05629	0.3
191.03310	0.3
199.07538	0.7
203.07079	0.3
213.05360	0.3
227.07034	0.7
231.06448	0.5
234.69397	0.3
255.06531	1.2
257.04492	0.5
273.07584	51.7
274.07962	2.6
275.05298	0.4
288.08649	0.8
299.05280	0.5
300.05865	0.8
426.11920	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	426.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
54.67877	0.3
55.05524	0.6
64.22423	0.3
67.05478	0.5
68.99802	0.8
69.48672	1.5
81.03467	0.3
85.02928	0.6
85.06476	0.3
91.05488	0.4
95.04996	0.7
105.03416	0.7
108.04490	1.7
110.06034	3.3
111.00815	1.2
115.91839	0.3
122.96625	0.3
123.04437	34.0
124.04783	0.9
126.05522	4.6
127.03935	0.8
132.18564	0.3
133.06532	0.3
135.04437	2.1
136.03951	9.4
139.03915	5.0
142.45430	0.3
147.04410	4.2
151.03915	1.9
154.04997	100.0
155.05341	2.9
157.06235	0.3
161.06049	0.4
163.03918	1.0
163.07539	0.9
189.05460	1.2
231.06819	0.3
245.08063	0.4
255.06622	0.6
273.07593	8.7
274.07831	0.7
391.68686	0.3
405.97324	0.3
426.11627	15.7
427.11987	1.3
427.19373	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	426.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.3
57.07074	17.7
62.06086	26.1
67.05516	5.2
69.07076	3.5
71.08631	15.0
81.07052	5.1
83.08618	4.0
85.10197	7.0
92.90656	1.8
95.08605	14.3
97.10172	2.9
98.98472	5.7
109.10164	5.2
123.11697	3.0
126.15262	1.8
155.01076	8.0
198.05246	3.2
211.20575	2.8
214.18002	2.7
216.06383	2.4
247.20143	2.0
254.24754	10.5
285.24243	100.0
286.24625	6.2
344.48254	2.0
365.20740	5.4
379.82773	2.0
408.70221	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	427.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03956	1.1
57.03451	1.0
60.14326	1.1
61.69654	0.9
69.03425	3.4
78.69440	1.0
79.01849	4.9
81.03413	10.0
81.19527	0.9
85.02904	3.7
87.86272	1.0
96.22014	1.0
97.02910	6.8
101.04966	0.9
102.49899	1.0
107.01338	2.0
109.02892	4.3
113.02380	23.8
113.67165	1.2
113.90630	1.0
121.06495	1.3
123.04414	7.5
125.02350	4.1
127.03909	8.2
135.04433	1.9
139.03894	11.0
143.03389	5.2
145.05035	2.2
147.04472	1.1
150.07770	3.0
153.01840	100.0
153.02904	5.4
154.02182	2.3
163.03935	3.9
171.02902	10.7
175.03925	1.0
179.03412	1.5
191.03403	2.9
201.05583	1.1
203.03505	1.5
217.04950	1.2
229.04935	1.7
233.04465	2.0
245.04414	2.3
247.06200	1.5
247.13402	1.3
257.04535	3.2
259.06076	2.2
265.14218	1.9
275.05487	5.2
283.06033	2.4
287.05569	7.0
297.06024	9.7
301.07065	1.4
315.07016	2.4
409.09128	2.7
427.10806	2.2
427.15808	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	427.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
55.78934	1.8
63.96235	1.5
66.01598	1.9
68.99812	6.5
69.12164	11.3
91.05535	1.7
95.04997	2.3
97.02903	1.6
99.49960	1.7
105.07066	6.7
107.05006	2.7
111.00801	3.9
111.04475	2.0
111.55868	1.8
113.03511	8.6
119.04993	3.2
121.02903	2.8
121.06535	4.4
122.09702	2.1
123.04441	36.1
123.05311	2.1
127.04008	2.6
133.02878	2.7
135.04488	6.3
137.02405	2.0
137.05992	2.4
139.03911	37.0
147.04482	7.5
149.06044	2.5
150.07799	11.5
151.03947	3.3
153.01903	2.9
159.04408	2.0
161.06056	3.8
163.03905	10.4
165.05533	4.5
167.03407	9.1
173.06070	2.1
175.04018	2.8
177.05557	5.7
179.03505	6.9
183.04547	1.6
187.03984	3.2
189.05554	4.8
191.03392	31.0
191.04980	2.1
193.05064	3.6
201.05516	7.6
203.03394	14.0
203.12766	2.0
205.05029	4.0
207.06664	1.8
213.05678	2.2
215.03485	2.8
217.05101	2.2
219.06773	1.7
229.05043	14.2
231.06642	2.2
233.04446	13.6
245.04559	3.9
247.06154	4.7
251.05629	3.2
257.04443	28.4
258.05228	3.8
259.06149	3.9
269.04608	4.5
271.06131	1.7
275.05499	33.6
276.05969	2.6
283.05914	3.5
287.05518	29.1
288.06079	2.7
289.06339	2.9
292.07822	1.7
295.11533	2.6
299.05679	2.2
301.07019	2.0
315.56491	1.7
409.09256	24.5
410.09677	2.7
427.12204	100.0
428.12579	6.7
453.60907	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	427.1213
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
50.34846	0.4
53.66629	0.5
62.83316	0.4
68.99794	1.1
69.63822	2.7
79.49820	0.5
85.62069	0.5
95.33315	0.5
105.07011	0.6
107.04990	0.5
114.78355	0.6
118.28227	0.6
122.59864	0.5
123.04430	4.8
127.03898	0.6
135.04437	1.3
139.03912	7.7
150.07764	5.2
151.03915	0.6
153.01862	0.6
163.03929	1.7
165.05473	0.7
167.03429	1.9
175.03998	0.8
177.05441	0.9
191.03371	2.7
193.04947	0.9
201.05586	0.5
203.03430	2.3
229.05038	0.6
230.13533	0.5
233.04486	1.0
239.83098	0.5
245.04539	1.0
247.06134	1.5
247.65608	0.5
257.04434	2.0
259.05954	1.4
263.34290	0.5
265.06998	0.7
275.05402	2.8
283.05908	1.1
287.05511	4.8
295.11542	0.6
299.05515	0.6
301.07159	0.9
409.09265	2.3
427.12112	100.0
428.12442	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	427.1368
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
55.05518	8.0
67.05527	6.1
80.92529	5.4
81.07066	5.9
85.02905	9.2
100.11253	6.9
105.67661	6.1
107.08612	8.4
108.21984	6.4
120.08157	6.0
136.00133	5.3
141.93040	6.4
144.43765	5.3
163.11160	5.0
177.05554	7.7
182.15463	8.2
210.14812	9.4
228.82771	5.8
265.08417	22.3
266.43188	5.9
292.95688	5.9
356.35382	6.4
427.13644	100.0
428.14050	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	427.1366
Annotation	5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
54.38936	0.5
54.62180	0.4
58.19717	0.4
71.30823	0.8
83.12516	0.6
87.04443	0.5
106.02304	0.5
109.50406	0.5
121.06468	0.6
157.18918	0.5
185.74916	0.5
192.32713	0.6
201.05251	1.9
217.04716	8.3
218.05357	1.0
232.07074	100.0
233.07697	9.4
250.08215	1.0
273.09799	1.0
351.07239	0.6
369.69528	0.5
391.95889	0.6
396.11563	2.6
397.12607	2.5
427.13687	49.2
428.13965	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	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04559	0.5
58.17600	0.1
68.99763	0.2
70.06597	1.0
72.00965	0.2
74.52213	0.2
81.03371	0.2
86.09682	0.2
94.04060	1.5
96.05614	0.2
99.84538	0.2
123.04422	0.7
123.06683	0.8
133.05058	0.2
135.05402	0.3
137.06020	0.2
137.79347	0.2
139.03909	1.1
148.06128	0.2
150.07750	100.0
151.08212	1.8
161.02606	0.1
163.03928	0.3
177.05511	0.2
179.03366	0.2
191.03520	0.4
203.03423	0.4
257.04398	0.3
275.05573	0.7
282.11957	0.9
283.05826	0.2
287.05386	0.9
295.11496	17.3
296.11832	0.9
343.41992	0.2
409.09265	0.3
427.27109	0.4
428.14270	0.2
428.19864	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	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
52.77214	0.8
53.03947	2.3
55.05515	47.1
55.33649	0.7
57.07079	14.1
58.28164	0.9
67.05508	7.7
69.07073	49.9
69.51438	4.3
70.95582	0.8
71.08625	5.9
79.05499	8.0
81.07063	17.5
82.55396	0.7
83.04982	5.7
83.08624	100.0
84.08946	2.4
85.10211	1.1
91.05500	3.4
93.07053	10.1
95.08612	11.5
97.06535	21.0
97.10174	36.1
105.07046	9.2
107.04931	1.5
107.08609	10.7
109.06518	13.3
109.10165	6.7
110.06921	1.0
111.11737	1.8
116.02609	0.8
117.07056	1.6
119.08577	7.1
121.06535	1.6
121.10160	3.3
123.08081	1.8
123.11736	3.5
123.68352	0.8
129.07016	1.3
131.08577	4.0
133.10130	8.9
135.08049	1.3
135.10669	1.7
135.11696	32.4
137.09605	1.9
139.14825	7.7
142.07730	1.0
143.08582	3.1
145.10136	4.2
147.08049	1.1
147.11688	5.2
149.09644	3.0
149.13237	1.5
155.08609	2.2
157.10196	4.4
157.15869	6.7
158.07329	0.8
159.11714	2.9
161.09644	6.3
161.13286	3.7
162.10396	0.9
163.11201	3.2
163.14816	1.1
165.09221	1.1
169.10135	2.3
171.11736	3.3
173.09639	9.7
173.13254	2.4
175.11232	5.6
175.14848	2.9
177.12769	3.0
185.13304	1.5
187.11310	1.2
189.16382	2.1
195.11771	1.0
197.13290	2.0
199.11131	1.2
199.14801	1.2
211.14838	1.8
213.16406	4.8
215.14256	1.2
227.14346	1.4
227.17992	1.1
229.15877	0.8
245.18484	1.0
253.19431	5.5
255.17261	1.0
271.20572	54.7
272.20929	3.9
273.25693	4.4
378.34341	0.8
392.50378	0.9
409.34723	11.5
410.35110	1.8
427.35748	62.2
428.35965	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	428.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01866	1.1
56.05045	0.5
57.03445	2.4
57.32064	0.4
61.02923	2.8
69.03429	11.0
69.03812	0.5
69.64650	0.5
69.65047	1.2
70.06591	0.7
71.04993	0.5
72.08176	0.5
73.02915	1.2
73.04748	0.6
79.05485	2.5
80.12909	0.3
81.03416	3.1
84.04501	3.0
85.02905	15.7
85.64629	0.3
87.04462	1.2
91.03953	0.5
91.05403	0.7
96.04493	1.0
97.02892	40.7
98.03245	0.6
99.04439	0.7
103.05457	0.8
105.03364	0.4
106.05834	0.7
106.06556	12.5
107.04940	2.4
109.02870	1.7
110.07111	0.4
112.03969	0.5
114.05521	1.7
115.03925	2.1
117.05725	0.4
118.06536	3.2
120.08123	0.5
127.03912	2.6
129.06995	0.6
130.05002	0.8
130.06487	2.0
132.04413	0.5
132.08087	0.7
133.05127	0.6
134.06017	46.0
135.06348	1.6
144.08099	3.6
145.04982	1.8
146.06027	2.4
146.09660	0.6
156.08052	1.4
158.06018	14.5
160.06076	1.3
160.07529	0.4
172.07607	2.3
174.09116	1.4
174.31895	0.3
176.07091	2.9
181.09377	0.4
184.07614	1.0
190.08620	0.5
200.07050	1.3
202.08598	1.6
212.07101	1.3
220.09575	0.4
230.08070	0.8
248.09167	6.1
266.10233	100.0
267.10611	5.0
376.39590	0.4
428.15479	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	429.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10622	0.5
65.03909	0.7
69.03426	0.6
70.06570	0.7
70.49232	1.5
73.04760	0.7
81.07047	1.0
85.02923	0.8
91.05466	12.5
131.04709	0.7
137.05943	1.0
143.35049	0.5
159.00580	2.3
167.05524	1.1
176.00848	1.4
185.04208	8.9
186.53242	0.6
197.92732	0.5
203.05234	3.1
219.06432	0.7
234.08667	4.7
249.05237	25.2
250.05612	1.5
267.06271	18.1
296.37247	0.6
303.84396	0.6
321.05789	13.5
321.09369	1.1
359.03183	0.8
385.12695	3.4
429.11499	100.0
429.20996	3.2
430.11865	7.7
430.33743	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	429.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27357	4.4
68.95999	4.2
69.08620	30.7
69.09023	7.4
70.06594	8.5
83.55495	4.3
88.69890	4.0
94.93021	25.6
107.52948	4.0
109.91697	4.8
121.06528	19.3
131.06108	4.4
202.89093	5.7
204.85382	4.9
204.86992	25.7
206.86720	7.5
255.05360	4.6
270.45676	4.2
288.15561	4.6
328.88126	7.5
429.11545	100.0
430.11990	7.6
446.39780	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	429.116
Annotation	Venkatasin
Peak:m/z	Relative Intensity
69.71779	5.3
70.23611	16.6
73.04762	20.8
91.05821	22.1
94.76280	4.4
139.56644	4.4
167.05632	11.8
208.68866	5.0
359.02808	19.9
374.11472	5.2
406.55798	5.6
429.11633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1526
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
67.05519	0.8
69.03438	0.9
69.11024	2.3
69.11454	1.8
69.18554	0.5
73.04771	1.7
73.63153	0.6
74.23064	0.7
77.05947	0.5
85.02907	0.9
86.09711	1.5
91.05800	2.7
96.65581	0.6
98.23360	1.4
105.07045	0.7
106.77981	0.6
131.47990	0.7
154.06863	4.4
180.29811	0.6
202.05994	0.7
203.14255	0.6
206.90276	0.5
217.04800	4.1
219.06252	0.8
228.07564	0.8
232.07085	60.9
233.07678	3.7
245.07935	1.0
267.15710	0.7
359.02844	2.4
399.14093	0.7
429.15137	100.0
429.19907	5.3
430.15524	9.3
430.20734	1.1
438.66125	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	429.1523
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
50.54928	0.6
52.19054	0.6
73.04771	1.8
91.05798	2.8
93.07067	1.0
95.08650	0.6
107.08561	0.6
109.10084	0.8
121.06493	0.9
145.10115	0.8
149.04617	1.0
151.07573	0.8
157.10066	0.7
167.05647	1.1
167.07123	0.6
201.05261	0.7
228.94072	0.7
229.55550	0.7
232.07088	7.1
233.07851	1.1
278.74646	0.6
347.89697	0.7
359.02972	2.1
381.12961	0.9
392.12378	0.7
429.15247	100.0
430.15491	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	429.1524
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
67.05505	0.9
69.05842	1.7
69.06265	1.9
70.06588	0.7
70.89466	0.5
73.04740	1.9
77.05967	0.6
78.47508	0.4
79.05478	0.6
81.07080	0.6
85.02917	1.0
85.07021	0.4
90.54324	0.4
91.05806	3.1
97.02907	0.6
98.23297	0.7
109.10114	0.5
109.36832	0.4
115.03983	0.6
119.08576	0.8
127.03898	0.4
132.36545	0.4
149.04514	0.4
157.86256	0.5
167.05576	1.4
201.05434	0.6
217.04730	4.8
225.04320	0.7
228.07570	0.6
232.07068	54.5
233.07637	4.2
245.07845	1.3
247.94286	0.5
359.02942	1.8
381.13181	0.9
398.13257	0.8
429.15247	100.0
429.20828	7.3
429.27408	4.9
430.15555	8.7
430.21255	1.0
430.27191	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	429.1659
Annotation	octacene
Peak:m/z	Relative Intensity
50.03185	1.0
55.01870	5.1
67.05482	1.0
69.03415	1.0
69.77298	4.0
73.04762	1.0
79.05499	2.8
81.07069	2.1
91.05840	2.1
95.08612	1.2
98.22630	0.9
103.05452	2.4
105.07027	5.3
108.05786	1.0
117.06995	1.1
118.04165	2.7
118.06591	1.6
121.06502	19.2
123.08073	2.0
132.04457	5.0
133.06496	56.2
134.06795	2.1
135.04463	1.5
135.08031	1.4
135.68605	1.1
136.05214	1.5
146.05972	1.2
149.02356	16.4
149.03458	2.2
150.09138	20.9
151.07547	69.8
152.07864	3.2
152.63496	1.1
159.08124	2.8
161.05983	8.9
161.09621	1.6
165.09122	2.3
167.05513	1.5
170.25816	0.9
171.06686	1.1
174.05527	16.8
176.07098	2.6
176.10651	1.7
186.09142	8.6
187.07576	3.9
193.04997	11.8
193.08598	25.9
193.10219	1.8
202.05002	33.9
203.05331	1.9
204.10246	4.5
210.11247	6.5
214.08638	26.3
215.07104	2.7
220.06042	9.3
232.09695	100.0
233.09976	4.8
237.07584	3.4
242.08269	1.5
260.09204	31.9
261.09531	1.4
275.20148	1.2
292.11789	45.6
293.12057	2.8
307.01059	1.0
341.06659	2.9
359.02960	2.1
359.07605	1.0
362.89832	1.1
385.09137	5.1
429.11804	14.1
429.26370	1.8
430.11542	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	429.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.8
67.05499	1.9
69.03426	2.2
70.06613	5.5
72.08160	2.4
73.04763	2.5
76.02206	1.3
79.05494	2.4
81.03414	2.1
84.96038	1.4
85.02915	1.6
86.09719	5.1
91.05843	6.7
93.07059	2.8
95.04974	2.4
95.89822	1.1
97.02914	1.2
98.96934	2.6
98.97585	54.3
105.07011	1.5
107.04924	1.4
110.97581	2.7
111.04461	1.1
116.98621	21.4
118.06574	1.6
121.06525	1.6
123.04442	1.6
128.98642	3.9
134.99693	8.0
137.09639	2.1
149.04532	1.1
153.01895	1.1
157.88164	1.1
158.99709	3.4
163.11295	1.5
167.05576	3.9
170.99619	1.3
177.00763	3.3
177.09088	0.9
185.04265	1.5
187.41248	1.1
201.12296	1.1
207.21675	1.1
219.01814	3.0
229.15475	2.1
237.02911	3.7
249.07991	34.1
249.10666	2.0
251.99022	1.1
267.09140	29.2
267.12137	100.0
268.09668	2.3
268.12457	5.7
290.10641	2.0
309.10104	8.4
359.02951	5.6
387.13245	1.3
429.17422	44.1
430.17914	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.01886	4.7
55.47177	4.4
57.03424	7.5
69.03440	13.9
69.10089	6.5
69.10492	22.3
70.06598	5.7
73.02914	12.5
73.04755	24.1
79.05495	10.3
81.03422	9.7
84.05078	4.2
85.02905	12.0
86.09686	4.5
91.05881	36.9
93.07085	5.6
95.04964	4.9
97.02923	12.6
103.05430	5.9
105.07103	7.9
107.04956	35.0
113.06039	5.2
114.07428	5.5
115.03943	11.2
115.05481	14.9
117.07025	17.7
119.08633	4.1
121.06528	12.2
123.04459	4.5
125.02382	6.0
128.06250	12.7
129.06998	14.7
130.07771	5.8
131.04916	9.2
131.08592	11.6
133.04973	34.5
137.05988	8.6
139.03928	6.1
141.06996	16.9
142.07874	4.6
143.04948	9.6
143.08586	12.8
144.05695	10.4
145.06491	33.6
145.10173	8.8
147.08060	14.6
153.01781	5.6
157.06535	10.5
158.07304	31.5
159.08067	7.2
161.05997	6.0
161.09619	5.2
167.05577	19.9
167.06972	9.1
169.06508	8.3
172.08888	8.5
173.06010	13.0
173.09618	33.4
175.07573	25.6
179.05530	8.9
181.08649	19.8
189.09145	10.8
191.06969	5.7
192.07872	6.7
201.09079	42.5
203.07019	4.7
205.08636	11.3
207.10217	16.8
219.10182	54.2
220.10564	6.0
221.11720	19.6
225.04434	9.0
233.11736	99.8
233.15269	6.0
249.11383	21.2
251.12813	100.0
252.13103	7.4
280.95621	4.4
331.49500	4.3
347.75052	4.0
359.02878	28.9
360.02649	4.7
372.20013	3.9
385.18222	10.5
429.15237	7.9
429.20889	88.0
430.21353	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	429.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12492	0.5
53.03945	1.7
56.05035	0.5
56.96561	2.0
57.81186	0.5
59.85327	0.5
60.04526	2.5
67.05492	1.7
69.03420	0.8
70.06596	1.1
71.28323	0.6
73.04762	4.0
81.03432	3.9
82.06582	1.1
83.04980	1.3
84.08138	0.6
85.02910	1.0
86.06063	0.6
91.05791	5.0
93.07050	6.0
95.04970	1.2
97.02898	0.8
98.97581	2.7
100.07606	1.5
101.06047	0.8
103.05467	3.9
109.02890	6.8
110.06068	1.7
110.97620	1.2
116.98666	0.9
121.06516	100.0
122.06838	5.0
126.66903	0.6
127.03934	0.9
128.07074	1.0
128.98615	0.6
130.08656	1.8
136.06190	7.9
137.05916	0.5
138.09149	26.7
139.09477	0.9
142.08649	4.3
146.08157	1.5
150.05440	1.1
167.05536	2.9
174.99223	0.7
188.09187	3.3
203.03218	0.6
209.64775	0.5
219.01718	0.8
232.08051	0.7
237.02893	1.1
243.33081	0.6
247.02345	0.7
274.09222	15.1
275.09613	1.0
276.02728	0.8
286.00284	0.6
303.01328	2.2
328.99371	0.7
329.05795	0.7
331.94302	0.7
359.02750	4.4
360.02832	0.7
429.08325	0.6
430.15405	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	429.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.98713	0.3
56.05028	0.9
69.03435	1.0
69.22975	1.2
69.23396	0.9
70.06587	0.9
71.41760	0.3
73.04759	3.2
75.98438	0.3
78.97793	0.3
79.30850	0.3
80.36681	0.3
81.03407	1.0
84.04507	13.5
85.02908	3.4
91.05878	5.4
91.98174	0.3
93.07051	4.4
95.04918	0.5
97.02887	1.5
98.23330	0.4
99.04563	0.3
103.05458	3.4
105.04508	0.4
105.47417	0.3
109.02862	0.7
121.06508	100.0
122.06845	2.9
127.03920	0.9
130.05009	9.2
136.06203	0.4
138.09142	15.1
139.09532	0.4
147.04335	0.5
149.04510	0.9
161.03076	0.4
163.07542	0.6
167.05550	3.0
204.10335	0.6
221.12866	3.2
222.11256	0.4
225.04272	0.7
250.10764	9.6
251.11186	0.4
267.13406	35.4
268.13788	1.9
282.13467	0.4
293.03220	0.3
300.14413	1.7
342.99808	0.6
359.02820	4.4
360.02792	0.5
366.15207	0.5
369.05942	0.4
412.16080	2.1
429.12869	0.5
429.18683	10.1
430.18781	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06597	6.2
71.43301	0.3
72.08150	1.7
73.04766	0.8
84.08131	0.5
85.02891	0.5
86.09715	1.4
91.05803	1.3
97.02892	0.6
127.04018	0.3
153.01848	0.8
167.05624	0.6
169.13371	0.8
183.14989	0.7
203.05235	2.5
211.14517	0.6
249.14694	0.8
267.12057	0.9
270.19141	0.4
276.02396	0.4
303.01248	0.6
316.15219	0.4
342.99585	0.4
359.02893	1.4
371.16803	1.3
429.21051	100.0
430.21365	8.0
440.57037	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	429.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89603	3.8
52.54548	2.9
55.05507	6.1
56.09478	2.7
57.07077	2.5
67.05500	7.5
69.07079	3.8
73.76779	3.3
79.05499	9.1
79.49762	2.7
81.07077	17.3
83.08634	2.8
84.68112	2.5
85.06557	5.5
91.05478	13.9
93.07054	24.0
95.08601	12.5
98.22546	6.1
105.07042	16.0
107.08584	8.3
109.10139	4.4
112.73807	2.6
119.08598	12.6
121.10176	6.7
121.46642	2.6
123.08186	2.7
123.11722	3.0
130.28906	2.7
131.08568	3.1
133.10158	10.5
135.11667	3.8
137.06036	3.1
145.10196	3.4
147.11703	4.2
151.07571	10.4
154.06259	8.6
159.11713	5.0
161.13254	7.3
167.05496	3.2
169.08629	8.7
181.08644	4.1
182.05833	9.8
183.06505	3.5
188.80869	3.2
191.06993	4.9
195.10046	2.7
197.08090	100.0
209.08257	3.4
217.19667	2.6
222.47075	3.0
231.10095	3.8
235.09593	6.5
237.11157	7.4
263.12753	2.7
429.26282	11.9
429.32056	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05525	3.3
57.07080	12.8
67.05516	5.9
69.07088	6.2
71.08635	8.5
72.43575	2.0
75.45200	2.0
79.05511	2.1
81.07074	6.5
83.08656	3.3
84.56280	2.1
85.10209	6.6
93.07072	2.2
95.08632	6.0
98.23373	4.5
107.08629	3.3
109.10181	5.6
119.08602	5.4
121.06524	4.0
121.10165	2.3
129.38972	2.2
135.08069	4.5
136.08859	3.3
137.09627	12.6
145.10114	2.8
146.06557	2.2
149.09634	11.5
159.11658	2.3
163.11169	13.8
164.08382	9.6
165.09125	100.0
175.11198	3.2
177.09172	7.1
191.10754	7.1
201.12755	2.5
205.12376	8.2
233.15363	3.5
352.25626	2.3
429.37305	28.3
430.38074	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03955	0.7
55.05506	2.7
57.03438	0.9
57.07079	16.9
60.35077	0.6
65.03942	0.7
65.76771	0.6
67.05509	5.6
69.05692	6.0
69.07062	3.0
71.08636	10.4
74.72041	0.6
77.11140	0.6
77.69911	0.7
79.05495	1.9
81.07069	6.7
83.04955	0.6
83.08610	2.3
85.10183	5.7
87.78686	0.7
91.05482	2.6
93.07038	2.7
95.08610	5.6
97.10140	1.4
105.07034	2.9
107.08591	5.5
109.06484	0.7
109.10155	6.8
111.04471	1.3
117.07031	1.1
119.08604	3.9
121.06500	4.3
121.10149	4.2
122.07324	1.1
123.08062	1.1
129.06920	0.7
131.08554	2.8
133.10120	0.9
135.08057	4.8
135.11665	1.9
136.08846	4.3
137.09627	13.2
139.07559	2.3
143.08586	0.8
144.09424	0.8
145.10126	1.5
147.08092	0.6
147.11671	0.8
149.09627	14.5
149.10660	0.5
151.07527	1.8
159.08072	1.2
159.11726	3.0
160.08784	1.0
161.09714	1.2
162.06798	1.7
163.07523	0.9
163.11189	16.2
164.08351	9.0
165.09122	100.0
166.09459	2.4
173.09666	2.8
173.13266	1.4
175.07471	0.9
175.11119	4.9
176.08328	2.4
177.09105	10.5
177.12772	2.5
179.10550	1.0
186.10435	1.2
187.11147	2.5
187.14742	0.9
189.12733	1.5
190.09848	0.8
191.10686	9.1
191.14325	0.7
201.12741	2.3
203.10699	2.1
205.12263	10.5
215.14302	1.5
219.13866	3.5
233.15376	1.6
247.16948	1.2
266.11993	0.6
289.21677	1.6
303.23068	0.8
317.25092	0.9
359.29480	0.7
361.59677	0.8
373.30841	0.8
401.34250	1.1
405.99359	0.8
411.36267	1.3
429.37274	16.7
430.38098	13.3
449.91574	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27517	1.1
53.03946	10.9
55.01875	11.9
57.03432	4.9
57.95377	1.0
58.72213	1.0
61.02940	5.1
68.99790	3.7
69.03432	35.7
69.39220	6.5
71.01360	1.3
71.04997	4.6
71.10162	1.0
73.02921	10.3
81.03425	34.4
83.01360	1.4
85.02911	100.0
85.71454	1.0
86.03268	1.3
87.00838	38.7
87.04462	1.4
91.03957	4.0
97.02896	41.0
99.04453	18.6
105.01875	33.8
105.07043	2.0
108.04481	10.8
108.72328	1.1
109.02884	38.8
117.01871	5.2
117.62469	1.0
126.05538	3.0
127.03925	80.8
128.04250	1.7
129.01862	6.4
137.06013	3.7
145.04970	39.9
146.05385	1.3
147.02907	5.9
159.02899	31.3
161.09714	1.1
173.09616	1.4
189.03880	1.3
189.09079	3.6
213.03961	2.4
219.59918	1.1
225.04536	1.3
230.06546	4.1
231.04991	14.5
231.10243	2.0
233.15300	1.8
248.07669	4.3
273.11075	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01873	12.6
57.03429	5.2
59.44933	1.8
59.45243	1.7
61.02925	6.5
62.86921	1.8
68.99788	5.1
69.03078	3.3
69.03432	35.2
70.15919	5.7
71.04997	3.8
73.02927	10.6
79.78013	2.0
80.17837	1.9
81.03425	44.4
85.02910	100.0
86.03274	1.8
87.00829	36.6
87.04454	2.3
88.17055	1.7
91.03945	2.6
97.02901	39.0
99.04458	16.6
105.01870	31.0
105.06996	4.3
108.04459	6.4
109.02887	41.5
115.03922	3.2
116.04198	1.9
117.01878	5.4
126.05559	3.8
127.03927	78.9
129.01845	6.2
133.06509	5.4
137.05974	15.2
140.01932	1.9
145.04959	33.7
147.02893	7.0
159.02892	32.9
165.09126	12.7
176.05507	1.9
177.03943	3.2
177.09126	3.9
189.03984	2.1
189.09157	6.9
197.62560	1.9
213.03987	3.5
216.32977	2.0
230.06662	3.5
231.05037	12.0
248.07547	2.7
273.11227	2.9
370.08646	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	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04765	0.4
53.03942	0.6
67.05475	0.5
69.40018	2.4
71.08649	1.1
72.08155	0.7
73.04745	1.2
82.60546	0.5
84.04513	1.0
86.02171	0.4
86.06052	0.6
86.09720	0.5
88.11264	6.2
91.05482	2.2
91.05882	0.7
93.07046	6.9
95.04958	1.4
98.97599	0.8
103.05467	4.0
109.02891	0.6
118.03247	0.9
121.06509	100.0
122.06841	8.9
130.05014	0.8
131.07062	0.8
136.06192	0.9
138.09140	26.0
139.09509	1.7
144.74596	0.5
152.21440	0.4
167.05595	0.7
267.13702	0.9
268.13760	1.5
270.02667	0.5
340.63309	0.5
360.02832	1.1
361.02582	0.5
398.37015	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	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01873	9.3
55.05511	8.2
57.03428	4.5
67.05508	7.6
67.50695	3.3
67.70090	3.8
69.03436	16.8
69.07059	7.9
70.06591	4.3
71.04980	6.0
71.29195	4.6
72.08137	3.5
73.02921	13.1
79.05498	28.5
81.03417	16.1
81.07060	11.7
83.04993	3.5
85.02906	33.1
86.09716	8.7
87.00842	9.7
91.05476	21.7
93.07053	37.1
93.81760	3.2
95.04998	8.5
95.08599	4.9
97.02922	20.4
97.06535	14.5
99.04455	30.5
105.01902	5.3
105.07036	83.2
107.04961	7.9
107.08597	36.2
108.04466	4.7
109.02876	14.4
109.06540	3.8
117.01847	3.2
117.07044	14.5
119.04975	3.9
119.08595	14.1
121.06493	38.2
123.04397	4.6
125.06036	7.4
127.03922	13.0
129.07059	5.8
130.07811	7.0
131.08566	26.7
133.10115	7.3
135.08093	12.8
137.05992	6.7
139.07539	8.4
143.07100	3.3
143.08600	9.1
144.09343	10.0
145.04984	12.0
145.06480	11.3
145.10135	61.9
149.05980	5.2
151.07607	4.9
157.10193	6.9
158.07243	7.4
159.02977	7.8
159.08063	17.0
159.11694	100.0
160.07593	4.4
160.12016	7.5
161.13229	3.5
163.11142	3.4
164.04936	3.9
165.09081	4.3
169.10136	13.3
172.08885	3.5
173.09631	50.0
179.08548	4.7
187.11188	70.0
189.09018	3.9
197.09665	12.0
202.08536	5.5
205.12236	67.2
206.12659	3.7
215.10674	77.5
228.35378	3.7
233.11783	37.0
233.15327	3.9
251.12764	12.8
278.80276	3.3
287.05453	27.6
290.73273	3.7
431.26123	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	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	22.3
57.07084	17.9
59.04992	5.0
61.02932	6.1
63.04501	21.8
69.03440	68.4
70.06592	13.9
73.02928	9.6
73.04765	4.4
81.03441	5.3
85.02914	52.0
86.09709	13.4
87.04488	33.1
91.05819	8.6
97.02905	61.8
112.96084	3.6
115.03941	66.7
119.10706	100.0
121.06482	4.0
124.94817	3.6
127.03936	8.8
133.04964	70.2
136.93935	4.1
145.04976	10.9
150.07668	5.1
167.05565	4.3
223.37164	3.7
229.96335	3.7
430.21573	8.5
431.18408	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	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89496	0.5
67.05478	0.6
69.03412	0.9
70.43616	1.2
73.04756	0.7
74.33110	0.5
74.63102	0.6
81.07036	0.7
85.02916	1.9
86.36004	0.6
88.34702	0.6
91.05834	0.9
99.47620	0.5
105.07037	2.5
117.07017	2.3
119.08583	1.3
127.11236	1.5
129.06973	0.7
131.08571	8.2
142.07782	1.3
144.09317	2.2
145.10097	0.7
157.10126	12.9
158.10487	0.7
159.11691	100.0
160.12054	6.6
187.14827	2.2
215.14348	1.4
233.15474	1.0
258.81015	0.6
268.16815	1.1
431.16360	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	430.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.1
55.05513	3.0
61.02924	1.9
62.52262	1.6
67.05511	3.8
69.03437	3.7
69.07091	1.7
71.03809	2.0
73.04760	2.2
79.05490	5.2
81.03448	1.7
81.07056	22.0
82.40812	1.6
85.02909	20.6
91.05424	8.2
93.07055	8.8
95.08607	16.8
97.02892	4.1
105.07042	9.5
107.08614	12.1
109.10127	1.9
109.33250	1.6
111.68897	1.8
117.07028	3.0
119.04900	1.8
119.08610	7.6
121.06494	5.2
121.10101	2.8
127.03919	4.5
131.08571	7.9
133.10132	6.3
135.08049	13.8
137.05968	4.4
139.07549	2.0
143.08595	2.5
145.04964	5.7
145.10133	8.6
147.04370	5.3
147.11557	3.0
151.07558	5.2
153.09099	12.0
155.08556	3.1
157.10126	3.2
158.00404	1.7
159.08121	2.2
159.11739	8.1
161.13225	9.8
163.06068	3.7
169.10168	2.0
173.09636	2.0
173.13232	2.0
177.09132	4.9
178.44142	1.7
187.11285	1.8
187.14830	24.2
188.15157	2.2
197.13214	3.9
205.15919	2.7
215.14339	19.1
220.43825	1.6
233.15370	100.0
234.15707	7.1
248.08209	2.0
303.29315	1.9
360.02914	3.0
368.11877	2.2
430.24786	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	430.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08361	1.3
55.63017	0.9
67.05510	1.8
68.80846	1.0
69.03411	1.0
69.07065	1.1
69.24387	0.9
79.05487	2.5
81.07043	2.0
90.22726	1.1
91.05483	100.0
92.05804	3.4
93.07037	4.8
95.04941	1.2
97.02887	4.3
97.06591	1.3
97.10215	1.3
105.07079	1.6
108.08125	19.7
111.04433	1.8
119.08569	1.6
121.06522	1.9
121.10161	3.9
123.04451	6.9
128.95834	1.0
131.08559	2.6
139.11217	1.2
143.86160	0.9
149.09647	4.2
149.69246	1.0
167.10707	3.8
169.56313	1.0
246.18520	9.4
253.14394	5.0
264.19601	16.8
271.56253	1.1
342.20670	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	430.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91026	0.6
56.29008	0.8
57.07068	3.3
61.45126	0.8
65.24594	0.6
67.05517	4.3
69.07053	1.5
70.78248	1.1
70.78583	1.1
71.08635	2.0
76.39732	0.7
81.07063	2.1
83.08587	0.8
85.10216	1.6
91.05498	1.7
93.07044	2.6
95.08624	1.2
107.08597	2.0
109.10168	4.5
119.08589	3.4
121.06518	13.1
122.07272	2.1
132.11511	0.9
135.08070	2.0
136.08858	14.2
137.09637	17.9
138.09964	1.2
145.10127	0.8
149.09633	2.5
150.09973	1.0
151.03931	1.6
151.07478	1.0
151.73518	0.9
151.89774	0.7
159.11705	0.7
163.11235	1.5
164.08353	34.4
165.09131	100.0
166.09467	8.7
177.09113	2.3
177.12674	0.7
190.09807	0.8
191.10663	1.7
192.43796	0.7
205.08870	0.8
205.12305	7.0
308.03976	0.7
336.86926	0.7
414.24142	0.9
430.38083	62.9
431.38519	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.168
Annotation	Diasesartemin
Peak:m/z	Relative Intensity
53.03955	0.7
69.03439	1.2
70.41064	1.0
70.41395	0.7
70.97324	0.6
74.51775	0.6
76.53891	0.6
81.07068	1.0
81.18711	0.6
85.02909	2.3
85.12256	0.6
87.04490	1.2
93.07027	1.4
95.08610	1.7
97.02879	0.8
102.26779	0.6
105.07025	2.3
107.08585	0.6
109.10203	0.8
112.55307	0.6
113.06008	9.2
115.03930	1.5
121.10149	23.5
122.10483	0.7
127.03742	0.9
131.07048	0.8
137.06015	0.7
137.13264	2.8
139.03862	1.0
139.11226	1.4
167.07031	0.7
171.11745	0.7
173.13348	1.3
189.05276	2.2
207.47847	0.7
219.06303	4.7
220.70230	0.6
233.15475	1.2
234.08635	38.6
235.09303	2.7
247.09433	0.6
251.16447	10.3
269.13647	2.0
269.17545	3.7
272.83414	0.7
275.11530	0.6
383.14636	0.7
401.15851	0.6
410.59000	0.7
431.16876	100.0
431.26334	5.4
432.17291	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	431.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.1
55.01875	3.4
55.05515	10.4
57.03445	13.7
57.07067	3.8
67.05506	31.0
69.07066	9.4
69.60593	11.5
71.04978	6.4
75.04446	2.9
79.05493	38.7
81.03418	3.7
81.07060	43.3
83.04985	3.5
83.08629	4.4
85.06535	3.1
86.09712	3.1
91.05476	44.6
93.07041	45.6
95.05000	3.9
95.08604	28.2
97.06525	4.5
98.98470	100.0
99.08081	4.0
105.07039	57.2
107.04980	2.6
107.08600	30.4
109.10180	8.0
111.08051	3.6
117.07003	13.8
119.08574	57.1
121.10123	20.5
129.05499	4.2
129.07030	10.5
131.08568	20.8
133.10139	41.2
135.08043	2.9
135.11691	19.1
143.08586	10.3
145.10127	20.2
147.11690	39.1
149.13231	11.8
155.01042	4.3
157.10152	8.2
159.11693	16.7
159.12811	2.7
161.13249	46.6
163.14870	8.1
165.12749	3.6
167.14563	2.4
171.11691	17.3
173.02147	27.0
173.13232	15.4
175.11273	2.5
175.14824	36.5
184.14040	2.6
185.13281	15.3
187.14864	4.8
189.12808	4.0
192.91634	2.6
199.14856	8.1
203.14334	3.4
213.16397	2.8
215.18018	4.3
217.19579	7.6
231.21074	8.2
241.19490	48.9
242.19867	4.1
243.21025	3.4
259.20572	83.0
260.20886	6.4
275.20035	2.5
277.21725	6.0
315.23096	4.5
330.86826	3.1
333.24243	98.8
334.24557	10.4
346.77524	2.6
367.43784	2.5
431.26746	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2278
Annotation	Celerioside A
Peak:m/z	Relative Intensity
53.03944	0.8
55.01856	0.6
55.05502	0.6
57.03433	1.3
57.07064	1.4
61.02913	1.4
67.05502	2.3
69.03425	4.4
69.07069	0.8
71.04985	0.9
71.30814	0.5
73.02914	0.6
75.56899	0.4
77.03927	0.4
79.05476	2.3
79.64565	0.4
81.03420	1.2
81.07056	4.5
85.02903	9.2
85.06545	2.6
87.04469	6.1
91.05453	0.6
93.07045	1.9
95.04465	0.5
95.04981	3.1
95.08616	6.9
97.02895	2.8
99.04455	0.6
103.05473	0.7
105.07027	8.5
109.02850	1.1
109.10169	1.0
113.06009	46.3
114.06345	1.3
115.03933	8.0
119.08564	2.1
120.03082	0.4
121.06558	3.0
121.10142	100.0
122.10478	3.1
123.08070	1.8
125.06001	0.8
127.03904	1.7
131.07034	4.9
131.08569	1.0
133.10144	0.8
135.08046	0.6
135.11713	0.5
137.13254	12.5
139.07552	0.9
139.11176	8.2
145.04977	1.3
145.10095	1.0
147.04449	1.2
147.11647	0.6
161.97983	0.4
163.03920	1.0
167.07066	2.1
171.11696	1.2
173.13246	4.7
181.08611	0.9
191.14282	0.6
205.15854	1.1
206.05553	0.8
213.91685	0.4
220.44135	0.4
233.15338	6.9
237.02745	0.5
251.16428	45.7
252.16705	2.6
269.17471	26.9
270.17819	1.1
300.12262	0.6
413.72818	0.5
431.12988	0.6
431.27890	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	431.2281
Annotation	Celerioside A
Peak:m/z	Relative Intensity
50.29842	0.5
53.03948	1.0
55.01866	0.6
55.05511	0.6
57.03424	0.5
57.07070	1.4
61.02920	1.1
67.05513	2.7
69.03433	4.2
69.07077	1.1
69.10064	2.3
69.10497	2.2
71.04998	1.6
79.05499	1.8
81.03415	1.4
81.07063	3.8
85.02915	10.7
85.06535	2.9
87.04477	4.9
91.05414	1.3
93.07049	3.1
95.04960	2.1
95.08610	5.9
97.02894	3.7
99.04512	0.7
103.05480	0.8
105.07037	9.9
109.02855	0.8
109.10154	1.2
113.06014	43.8
115.03947	8.7
119.08571	2.3
121.06503	2.1
121.10149	100.0
122.10506	3.2
123.08082	1.7
127.03918	1.8
131.07036	4.6
131.08562	0.9
133.07585	1.0
135.11717	0.6
137.13263	12.1
138.13533	0.8
139.07523	1.1
139.11188	7.2
144.86250	0.6
145.04958	1.4
145.10159	0.9
147.11731	0.7
156.06894	0.6
163.11185	0.6
167.07042	2.1
171.11673	0.9
173.13268	3.9
187.14734	0.7
205.15910	0.8
232.07196	0.6
233.15373	7.0
234.08583	2.1
247.90878	0.7
251.16440	45.4
252.16853	2.5
258.39694	0.5
269.17484	20.0
269.20407	1.1
270.17831	1.2
293.27457	0.5
431.12314	15.8
432.13220	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	431.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
54.45724	3.9
55.05508	16.7
57.07058	4.1
61.07227	3.9
67.05503	25.4
69.03423	5.1
69.07072	10.4
71.04977	3.7
74.75336	3.9
79.05502	28.2
81.07067	25.0
83.04997	4.2
83.08625	5.5
91.05482	49.6
93.07055	51.3
95.04970	11.0
95.08623	31.0
95.53049	3.6
98.79546	3.9
105.07029	70.8
105.07680	5.9
106.07150	3.3
107.08595	25.4
109.06529	5.2
109.10160	16.1
115.05489	5.1
117.07015	15.1
119.08589	64.3
121.06516	5.4
121.10155	33.6
123.08054	6.2
123.11642	4.8
128.06245	20.1
129.07030	18.1
130.07808	8.3
131.08574	40.6
133.10153	24.8
135.08054	8.2
139.84059	3.7
141.06989	15.9
142.07777	30.0
143.08549	51.7
144.09302	8.3
145.06360	3.8
145.10120	49.4
147.08047	6.2
147.11617	6.3
149.09579	8.6
153.07091	4.6
154.07788	4.0
155.08559	13.6
156.09358	21.5
157.10146	49.2
159.08038	9.8
159.11728	21.7
161.09612	17.5
163.11137	5.0
165.07120	4.5
167.08568	7.8
168.09396	8.0
169.10124	24.3
171.11639	28.7
173.09680	19.0
173.13240	16.7
175.11232	5.4
179.08577	12.5
181.10127	15.6
182.10945	7.3
183.11720	17.8
184.12500	6.2
185.09593	6.7
185.13235	20.7
187.11180	5.8
192.09329	4.9
193.10144	11.5
195.11650	15.3
197.09647	8.2
197.13283	20.7
199.11221	13.9
199.14824	10.4
203.10623	6.0
205.10036	5.4
206.10867	5.4
207.11752	15.5
208.12381	4.3
209.09698	6.1
209.13277	16.2
210.10349	4.5
211.11182	11.2
211.14862	7.7
213.12686	8.4
219.11739	9.5
221.13304	11.4
222.13869	5.3
223.11153	5.5
223.14848	8.8
225.12585	8.5
225.16466	5.7
227.14340	4.8
231.11652	4.8
233.13132	5.7
234.10208	3.8
235.14772	7.6
237.12787	5.5
237.16449	6.2
239.14378	7.6
241.15930	9.1
245.13153	6.1
246.14066	5.5
247.11378	4.8
247.14679	7.4
249.12830	6.6
249.16415	7.2
251.17789	4.2
257.15417	6.9
263.14502	4.7
264.15112	5.1
269.12973	3.9
273.18787	5.7
279.17429	6.8
282.19571	5.0
289.16135	4.2
291.17557	4.7
297.18515	92.9
298.18964	5.0
319.20297	7.5
357.22516	3.9
413.28491	11.7
431.29489	100.0
432.29459	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49128	1.8
55.05503	5.7
56.43903	1.8
57.07082	28.6
67.05499	6.0
69.07075	10.4
71.08649	15.5
77.56290	1.8
81.07062	14.4
83.04987	4.6
83.08616	7.5
85.10175	11.2
88.50577	1.8
88.97897	1.7
91.05486	5.3
93.07051	6.7
95.04983	2.1
95.08604	9.4
97.10173	5.2
105.07040	2.9
109.06512	5.1
109.10159	5.5
119.08546	3.4
123.08083	3.5
135.08073	3.5
137.05980	17.4
138.06767	4.9
139.03830	2.3
139.07576	2.7
143.08594	2.4
147.08035	2.2
149.05981	5.0
151.07538	40.8
159.08072	3.6
161.05965	6.5
165.05470	11.7
165.09122	11.7
166.06250	13.5
167.05605	4.8
167.07051	100.0
168.07390	2.8
175.07538	5.4
175.11224	2.8
177.09131	8.5
179.07091	5.9
179.10649	3.7
181.08614	2.8
189.09050	9.7
191.07031	1.9
191.10762	2.1
192.07835	3.1
193.08632	10.2
203.10675	7.2
205.12120	2.3
207.10138	12.7
217.12250	5.5
221.11737	6.3
231.13876	2.5
377.57794	2.4
413.33771	3.9
431.35202	34.4
432.36328	10.4
449.20703	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	431.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.4
57.03429	2.1
57.07079	25.6
67.05499	4.4
69.07067	9.0
69.69705	1.8
70.10603	1.6
71.08636	14.5
81.07054	13.6
81.19460	1.4
83.04981	2.1
83.08620	5.4
85.10180	9.3
91.05477	5.3
93.07031	7.7
95.08622	9.8
97.10165	5.1
98.22535	2.2
105.07018	2.9
109.06528	4.0
109.10155	6.1
111.11756	1.7
118.92503	1.8
121.06533	3.3
123.08071	4.7
123.11716	2.3
125.13278	2.1
131.08580	2.2
135.08064	2.8
137.05983	14.3
138.06776	3.2
139.07533	5.6
147.08096	3.6
149.05974	5.4
151.07547	35.1
159.08066	2.3
161.05971	6.1
165.05554	8.1
165.09129	14.7
166.06282	4.3
166.09401	3.6
167.07047	100.0
168.07414	3.1
175.07521	5.4
177.09093	6.5
179.06975	5.1
179.10664	4.4
181.08582	3.8
189.09164	8.4
189.12675	1.8
191.10646	3.3
192.07784	2.2
193.08630	10.3
203.10725	5.3
207.10229	12.1
217.12292	3.7
221.11723	4.3
231.13765	2.6
235.13289	2.8
242.52516	1.6
277.17847	2.4
403.35428	2.0
413.33932	3.2
431.35037	28.3
432.36017	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	431.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.3
55.05513	41.1
57.07070	22.0
67.05505	67.4
69.07063	48.4
69.56710	26.6
71.04980	14.2
71.08623	6.7
79.05487	21.2
81.07060	100.0
83.08627	41.4
85.06550	7.0
85.10194	8.6
93.07049	19.8
95.08621	97.9
97.10170	40.3
98.23329	9.0
105.07069	6.1
107.08629	7.4
109.10167	54.5
111.11720	22.3
121.10135	19.8
123.11701	24.4
125.13280	6.4
133.10075	5.0
135.11716	12.3
137.13252	9.0
159.01683	5.2
321.89163	4.9
359.36755	13.5
377.37750	35.5
431.27866	5.6
435.46332	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	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
60.58211	0.4
69.29779	0.8
69.30177	1.8
75.56284	0.4
79.05498	3.1
91.65057	0.4
95.04958	0.7
98.23327	0.8
103.05439	2.7
105.07037	100.0
106.07343	2.9
106.67429	0.5
122.09676	45.9
123.10014	1.3
351.06760	0.5
444.63477	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	432.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44878	10.0
70.45214	4.9
71.04981	7.4
79.05492	10.5
81.06651	4.5
81.07059	28.3
84.35745	4.0
85.02907	13.5
85.06526	6.3
91.05485	10.5
93.07056	36.4
95.08618	4.9
97.06525	8.9
99.04462	20.5
102.90098	4.0
105.07061	25.2
107.08614	9.9
109.06522	20.6
119.08604	15.6
121.06495	45.5
124.90063	4.6
127.07582	11.7
129.07024	5.8
133.10135	7.5
135.54399	4.5
139.07527	5.6
142.07776	6.2
143.08559	13.4
145.10185	8.1
147.11688	20.5
156.09317	6.3
157.10155	22.2
161.13327	6.1
171.11676	19.2
175.11186	11.8
189.12686	16.8
199.11197	20.8
207.13768	23.0
217.12256	61.1
232.69016	4.9
235.13301	100.0
236.13556	4.5
253.14232	10.8
306.43204	4.9
349.20578	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	432.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56892	24.4
55.05511	21.6
59.72093	18.1
67.05502	58.1
69.07069	32.1
71.28630	26.7
79.05494	41.6
81.03421	27.8
81.07081	41.2
85.02898	33.7
91.05486	34.1
93.07031	58.0
95.04966	44.8
95.08590	82.0
100.11264	20.4
105.07031	46.4
107.08559	54.8
109.10139	52.1
112.69955	19.2
119.08578	84.3
121.06490	49.4
121.10149	42.6
133.10136	56.5
135.11739	30.9
139.07521	49.2
147.11664	24.6
155.51450	23.1
159.11700	20.5
175.14835	37.5
189.16382	94.1
199.14848	29.5
217.15900	91.7
235.16925	100.0
237.43855	17.7
272.19501	18.5
276.14285	27.8
330.35648	19.8
433.25601	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	432.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.7
63.13046	13.0
67.05486	38.5
69.73642	57.2
79.05489	33.3
81.07065	100.0
85.02905	16.2
91.05495	19.8
93.07038	22.2
95.08608	50.6
97.01804	12.6
105.07015	38.2
107.08582	33.2
109.06487	18.0
109.10159	24.2
119.08582	45.5
121.10215	13.3
127.26967	14.3
133.10129	32.6
133.85530	12.6
140.19911	13.6
145.10088	26.2
147.08032	13.6
149.13298	15.4
161.13258	30.3
182.95828	14.3
189.16396	96.4
190.16678	13.4
217.15862	28.8
235.16924	59.1
281.95212	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	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75313	31.7
65.15617	27.4
67.05521	35.5
67.83165	25.1
70.51822	49.3
74.74989	28.2
81.07076	31.2
85.02910	41.2
93.07059	30.5
95.08629	34.0
97.00668	29.3
100.11208	32.7
105.07048	45.0
107.08604	30.3
119.08606	36.4
121.06503	45.3
127.11196	50.9
133.10127	41.9
143.10680	100.0
149.47588	25.0
149.60965	23.4
151.11075	31.4
161.09634	75.4
192.35263	28.2
217.15929	62.3
235.16972	77.9
291.44052	26.1
432.29248	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.9
67.05523	20.2
69.03439	25.4
69.14888	99.6
70.06600	25.5
80.19589	17.7
81.07069	43.3
85.02911	20.2
86.09753	18.2
93.07068	23.5
105.07057	24.5
121.06492	54.7
121.10120	29.2
137.05972	66.4
151.07591	89.7
163.03905	100.0
204.55946	19.5
235.16954	50.8
268.23621	18.4
300.12253	47.7
309.62216	19.3
379.93930	22.5
403.21054	18.4
431.77933	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	432.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.2
56.77216	4.3
57.07082	4.4
59.05000	20.6
67.05496	15.7
69.03429	13.3
69.84151	13.5
71.04987	15.6
76.48800	3.8
79.05492	18.6
79.23689	4.0
81.03397	4.1
81.07056	65.4
83.04970	7.0
83.08627	4.8
85.02896	13.2
91.05490	14.2
93.07048	23.4
95.08613	68.3
99.04467	6.8
100.11260	8.3
105.07071	21.7
107.08582	43.6
109.02875	4.9
109.06534	5.1
109.10151	10.6
111.08086	4.9
119.08608	27.1
121.10143	20.8
123.08084	14.3
123.11696	23.4
125.09630	31.8
131.08604	9.2
133.10135	20.5
133.80400	4.2
137.13231	26.5
138.45490	5.1
139.11186	13.8
141.09117	13.5
145.10123	10.0
147.11703	35.1
150.17192	5.0
159.11725	11.5
165.12756	100.0
169.25490	5.2
173.09509	4.1
175.11125	5.9
182.15414	6.4
183.13803	76.5
189.16374	6.5
193.12247	10.8
199.14764	7.0
210.14853	8.5
217.15912	14.7
235.13219	4.7
235.16960	17.4
295.70264	5.7
359.72333	5.1
432.20178	6.9
432.26062	21.5
432.76004	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	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61814	3.4
54.13248	3.5
54.68618	3.0
55.05512	5.8
59.05012	13.1
64.45945	3.4
65.01167	3.3
65.03958	7.1
67.05508	9.2
69.03432	7.3
71.04996	4.9
71.30656	3.5
79.05506	16.7
81.07066	24.8
82.04202	3.4
83.08618	3.6
85.02916	12.1
86.09742	3.7
91.05472	6.3
93.03455	3.9
93.07052	10.0
95.04988	4.8
95.08612	34.6
99.04465	4.1
103.05487	4.5
105.07030	18.9
107.04978	15.7
107.08607	16.7
109.10159	4.3
111.04474	4.4
119.08602	10.5
121.06559	4.5
121.10152	9.0
123.04414	6.4
123.08113	6.0
123.11761	12.9
124.05249	3.6
125.06059	4.7
125.09632	13.2
130.76015	3.3
133.06511	8.6
133.10132	9.5
134.23929	3.3
137.06006	13.2
137.13226	11.4
138.03166	4.9
139.11211	8.3
141.09103	8.8
147.11714	16.7
149.13306	4.1
161.06004	17.6
165.12764	49.9
166.68250	4.8
167.06990	22.6
177.05463	4.5
181.04973	100.0
181.06282	3.7
183.13811	43.2
193.08667	14.4
207.06593	4.2
217.15903	7.9
219.43675	4.0
221.08118	31.5
225.05466	5.3
225.64903	3.6
233.08260	4.2
234.06808	4.7
235.16945	12.3
249.07660	12.3
277.73035	4.1
283.05731	3.7
285.07687	13.4
329.44238	3.7
388.20514	4.1
403.13901	45.3
432.19299	8.7
433.18182	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.5
69.64362	2.0
70.06615	0.5
73.06557	1.2
75.76363	0.4
85.02910	0.7
86.09716	1.6
87.04472	6.1
89.06036	100.0
90.06351	1.1
107.07059	2.3
109.07644	1.1
110.71509	0.6
117.09139	0.7
126.10320	0.6
127.03934	0.7
128.81659	0.5
130.06531	1.8
131.07033	1.3
132.08101	0.8
133.08607	56.0
134.08940	1.2
136.03960	1.3
144.08130	0.7
153.01830	2.2
159.09192	1.9
170.06035	1.3
175.09720	0.6
177.11227	17.6
187.08736	0.6
198.05524	0.9
200.14374	0.7
216.06537	0.7
221.13815	3.3
234.07544	1.1
239.14876	0.6
241.20505	0.4
252.08853	0.5
265.16403	0.5
272.17496	2.2
283.17487	0.7
311.10333	0.7
327.20111	1.3
329.11523	0.6
371.22754	2.2
381.11127	0.6
415.25360	9.5
432.21716	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	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.43257	1.8
57.03434	4.2
62.21206	1.5
66.92639	1.5
69.14642	11.4
71.04996	31.3
83.04968	1.7
85.02908	31.4
98.22557	2.9
121.02892	4.3
129.05496	6.8
153.01851	6.5
165.01805	2.2
213.05437	1.8
244.06870	1.8
271.06015	7.3
287.05502	100.0
288.05807	6.9
292.57574	1.6
299.05530	2.9
329.06418	4.7
337.28156	1.7
347.05670	1.6
353.06372	2.3
379.08334	2.4
397.09448	2.8
431.95309	2.0
433.20425	12.4
433.36139	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	433.1133
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.03935	0.8
55.01859	2.7
57.03403	2.1
60.29829	0.6
61.02905	2.3
62.57595	0.6
65.03917	0.7
67.01851	1.0
68.99779	2.4
69.03432	1.2
71.75072	0.6
73.02895	1.2
74.37303	0.7
78.33189	0.8
81.03400	1.8
83.01346	0.7
85.02902	6.7
91.05479	3.0
92.99750	2.3
93.03407	1.1
95.04955	1.0
97.02868	2.2
103.03945	3.1
105.03370	1.0
107.04929	2.2
109.02872	1.9
115.05476	0.9
119.04966	4.6
121.02881	7.2
126.38111	0.6
127.03900	0.6
131.04912	2.2
133.02850	0.9
134.03639	1.5
135.04388	2.6
137.02332	2.0
141.01810	2.7
145.02841	4.6
145.06500	0.7
147.04437	1.5
148.48146	0.7
149.02267	2.9
153.01813	0.8
153.06998	1.5
155.08594	1.5
159.04340	1.2
161.02441	1.1
161.05969	0.9
163.03952	4.4
165.01843	15.5
165.07025	3.1
167.03384	2.5
167.07085	1.2
169.06628	0.7
171.04411	0.9
173.02304	0.9
173.05946	0.9
175.03896	1.8
177.01848	1.9
177.05441	0.6
179.03377	0.8
179.08707	0.7
181.04927	1.0
182.07269	0.7
183.02867	3.7
183.08105	5.3
187.03886	2.0
189.01787	1.6
189.05389	0.9
191.03368	1.9
195.02919	1.2
197.06032	0.6
202.07672	0.7
203.03410	1.3
205.05014	1.1
207.02834	0.8
207.08101	1.4
210.06790	1.1
211.07553	3.0
215.03357	0.8
215.06915	0.9
221.06006	1.1
227.06976	1.0
229.04976	12.0
235.07538	1.0
238.06065	0.7
239.07040	9.3
247.06046	2.0
249.05392	1.0
253.08604	4.9
255.06425	1.5
256.07211	0.6
257.08246	1.0
263.06934	1.6
265.08698	0.8
267.06561	11.5
267.09637	1.2
267.12811	0.6
268.06964	1.2
269.04343	1.5
270.05316	1.5
271.06015	12.9
272.06412	0.9
273.03934	6.2
277.08545	1.2
279.06543	0.9
281.08167	3.8
283.06024	83.3
284.06583	8.1
285.07281	1.1
288.59341	0.8
291.06485	1.3
293.08109	0.9
295.06042	32.5
295.09491	1.3
296.06497	2.1
297.04172	0.9
297.07553	2.6
305.08002	2.0
307.06003	4.6
308.06671	1.9
309.04019	1.9
309.07568	15.0
310.07928	0.9
311.05438	1.5
313.07074	100.0
314.07397	6.7
320.06485	0.8
321.07602	3.8
323.05640	1.2
323.09137	9.2
324.09656	0.8
325.07114	2.1
333.07657	5.6
335.05475	1.5
337.07071	33.9
338.07480	3.9
349.07077	29.8
350.07458	2.3
351.08813	3.3
358.82474	0.6
361.07095	6.7
367.08157	12.3
368.08536	1.2
379.08109	22.1
380.08539	2.4
397.09192	24.6
398.09579	1.8
415.10223	17.3
416.10333	1.9
433.11383	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	433.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18379	0.1
57.96078	0.1
67.01874	0.5
68.99806	0.3
69.03419	0.1
69.17087	0.7
72.84194	0.1
75.70617	0.1
81.03403	0.1
91.05487	0.8
95.84383	0.1
105.07033	0.1
105.86029	0.1
109.02885	0.1
119.04955	2.0
121.02864	0.7
129.01843	0.1
145.02837	0.7
153.01833	5.6
154.02052	0.1
157.10155	0.1
163.03893	0.4
171.02896	0.4
187.03888	0.3
203.07002	0.2
225.05408	0.3
229.04930	0.4
243.06487	0.3
247.06081	0.2
271.06012	100.0
272.06357	6.0
351.35648	0.1
433.11243	0.3
433.20145	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	433.1133
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.16611	0.1
58.63986	0.1
67.01867	0.4
68.99795	0.3
69.03416	0.2
69.78539	0.6
70.06573	0.1
70.37505	0.1
85.02881	0.2
90.50902	0.1
91.05493	0.7
97.02884	0.2
119.04950	1.8
121.02872	0.6
128.74376	0.2
129.01823	0.2
130.06531	0.1
143.03383	0.1
145.02841	0.5
153.01830	5.1
163.03917	0.4
169.06425	0.2
171.02873	0.4
225.05556	0.2
243.06573	0.3
261.52811	0.1
271.06006	100.0
272.06342	6.5
365.35849	0.1
433.11206	0.3
433.19943	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	433.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
57.03447	0.4
57.85260	0.4
61.93938	0.3
66.52672	0.4
69.03432	1.3
69.21626	2.0
69.22046	0.8
77.24652	0.4
79.05095	0.6
79.05494	3.2
84.04539	0.5
85.02915	1.0
87.04473	0.6
87.51478	0.4
95.04996	0.4
97.02886	0.9
103.05468	2.7
105.07035	100.0
106.07401	2.6
115.03947	0.5
121.06488	0.6
122.09674	44.2
123.10018	1.2
132.04454	7.3
133.04933	1.1
140.10692	0.7
150.05513	2.3
183.91684	0.4
264.33508	0.4
266.59381	0.5
287.10675	0.4
323.16080	0.4
341.80005	0.5
433.16791	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	433.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
62.29024	0.4
77.03925	0.4
78.98533	0.4
79.05486	3.4
86.52702	0.3
95.04971	0.6
98.22566	0.8
100.23683	0.3
103.05472	2.0
105.07034	100.0
106.07375	3.7
119.94427	0.4
122.09672	48.5
123.09997	1.2
132.04448	3.5
150.05489	0.7
153.24210	0.3
198.60931	0.4
228.96010	0.4
433.16443	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	433.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
58.15285	0.4
66.07172	0.4
69.16964	0.8
69.17369	2.3
69.52292	0.4
70.06577	2.1
72.08147	1.0
72.43778	0.4
79.05491	3.5
81.03432	0.5
84.04504	0.8
84.08141	0.6
86.09715	2.1
95.04993	0.7
95.85086	0.4
102.05549	0.8
103.05453	3.1
105.07034	100.0
106.07375	3.4
110.07194	0.6
122.09669	43.2
123.09991	1.6
132.04442	4.0
138.16237	0.4
150.05539	0.7
153.01782	0.5
156.89905	0.4
271.05954	0.8
406.21500	0.4
433.16605	1.8
433.26669	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	433.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.12780	0.7
57.03431	1.7
57.07080	8.7
67.05506	2.3
69.07064	1.1
71.08629	7.3
81.07048	2.2
83.08630	2.0
85.10186	4.1
95.08558	3.4
97.10163	1.5
97.68852	0.6
105.07044	0.8
109.10155	2.3
120.96629	12.4
123.11687	0.9
138.97699	0.7
162.09323	0.6
176.99193	1.7
190.68341	0.6
195.00296	9.8
207.18448	0.8
239.23654	0.9
309.50107	0.8
313.27380	23.7
314.27625	1.8
335.25565	2.0
353.26553	2.7
385.04596	0.6
415.22144	11.2
433.23248	100.0
434.23395	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05520	16.9
57.03439	16.1
57.07070	5.8
63.49816	2.8
65.03928	4.4
67.05511	66.6
69.07072	14.6
69.57091	10.7
71.04967	3.3
71.08631	3.7
75.72428	2.5
79.05497	59.3
81.07066	79.5
82.07389	2.7
83.04960	2.9
83.08599	8.4
85.06543	5.8
91.05492	26.6
93.06479	3.9
93.07050	68.7
95.04983	3.1
95.08055	4.7
95.08611	63.1
98.98472	100.0
98.99112	5.8
99.08108	4.2
105.07038	23.1
107.08603	39.2
109.06539	3.5
109.10161	20.2
116.99475	3.2
117.07013	9.2
119.08617	18.0
119.17660	2.8
121.10147	28.3
123.11719	10.5
123.39761	3.0
131.08574	17.8
133.10132	18.5
135.08032	3.1
135.11723	19.0
137.13257	3.2
145.10110	18.6
147.11678	10.5
149.13251	16.4
155.01048	16.3
159.11687	11.1
161.13275	9.9
163.14864	15.2
173.02129	10.7
173.13295	14.3
175.14694	2.5
177.16371	5.0
187.14825	6.1
202.16510	2.4
208.61766	2.7
233.22595	3.0
243.21059	34.6
244.21327	2.9
261.22159	59.6
262.22354	3.4
311.93729	3.0
317.24750	7.9
335.25793	95.5
336.26129	6.4
392.83496	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	433.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05510	7.9
57.03441	7.3
57.07086	5.2
61.34731	2.2
64.53566	2.4
67.05178	3.7
67.05512	46.0
69.07071	10.2
71.08625	3.2
77.07642	2.3
79.05496	36.5
81.07060	56.1
83.08622	5.7
85.06517	2.0
91.05489	21.7
91.43024	2.3
93.07049	47.7
95.04962	3.5
95.08620	41.9
97.06551	2.7
97.10171	3.1
98.98476	100.0
99.08105	4.7
102.64109	2.1
105.07055	16.8
107.08604	29.1
109.10152	14.3
117.07022	10.2
118.79743	2.1
119.08583	13.0
121.10133	21.7
123.11736	6.1
127.20988	2.1
131.08569	17.6
133.10118	11.6
135.11705	14.9
137.09666	2.4
137.13274	3.8
145.10139	13.8
145.59001	2.1
147.11699	7.6
149.13242	17.8
155.01044	21.0
159.11755	12.6
161.13292	7.9
163.14880	15.0
173.02182	10.8
173.13310	9.0
175.14809	3.3
177.16400	3.6
187.14838	6.4
191.14243	2.8
215.17912	2.6
233.22682	6.2
243.21112	26.0
253.82721	2.6
261.22156	59.5
262.22495	5.6
303.35779	2.2
308.63031	2.2
317.24707	8.0
321.96439	2.3
335.25842	46.2
336.26212	3.1
415.22531	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	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.1
57.03442	4.6
57.07086	4.0
65.03962	2.4
67.05510	41.7
69.07060	7.0
69.69823	6.6
75.04488	2.1
77.52732	1.4
79.05496	28.0
81.07063	43.2
83.08626	4.4
91.05491	17.9
93.07043	37.9
95.04967	2.0
95.08607	38.0
97.06516	1.8
97.10183	2.2
98.23478	1.4
98.98470	100.0
105.07033	14.9
105.92159	1.3
107.08594	26.0
109.10155	18.2
116.99552	2.9
117.07002	7.9
119.08598	10.8
121.10147	18.3
123.11728	7.6
131.08562	12.0
133.10143	8.8
135.11711	16.1
137.09648	1.5
137.13258	3.3
145.10150	8.3
147.11726	6.1
148.65804	1.6
149.09637	2.0
149.13252	13.0
149.98140	1.4
151.14902	2.0
155.01035	18.5
159.11671	6.8
161.13292	6.5
163.14848	7.6
167.94423	1.6
173.02100	17.9
173.13287	6.4
175.14857	2.0
177.16333	1.8
187.14833	5.1
201.16449	2.0
204.16936	1.5
213.57314	1.4
233.22646	2.2
243.21133	14.0
261.22141	57.8
262.22501	3.4
279.23184	1.4
301.16086	1.4
317.24805	8.2
335.25812	35.5
335.29663	2.5
336.26096	3.8
415.22452	5.1
433.23248	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	433.2354
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.65927	1.8
53.03936	1.9
55.05524	10.0
57.03442	12.0
57.07076	4.4
65.03978	2.5
67.05507	61.6
69.07084	12.1
70.56239	2.7
70.56587	3.7
75.04490	2.5
79.05493	32.6
81.07059	61.3
83.08629	5.6
85.06585	1.5
89.08749	1.7
91.05481	20.5
93.07047	49.2
95.05006	3.2
95.08611	49.6
96.08947	2.5
97.06562	3.3
98.98470	100.0
100.19711	1.7
100.62618	1.7
105.07030	15.1
107.08597	35.1
108.08886	2.3
109.10165	27.3
116.99586	2.1
117.07034	6.5
119.08588	9.8
121.10159	21.8
123.11715	12.5
131.08574	11.8
133.10114	10.5
135.11714	19.4
137.13251	3.6
139.15955	1.8
139.95543	1.6
145.10126	9.7
147.11682	8.2
149.13258	13.4
155.01045	8.5
159.11674	10.2
161.13301	5.9
163.14853	7.1
173.02104	19.0
173.13292	7.8
175.14822	3.7
177.16383	2.6
179.14259	1.9
187.14825	4.9
201.16420	3.3
233.22627	3.0
243.21085	15.8
261.22153	50.9
262.22528	4.7
279.23218	3.1
287.86856	1.8
317.24780	8.4
335.25803	83.1
336.15015	2.0
336.26208	10.6
377.42914	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	433.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80309	1.3
53.03946	4.4
55.01878	10.1
55.05515	34.2
55.78815	1.2
57.03439	8.4
65.03941	3.6
67.05511	36.7
69.03433	5.5
69.07068	10.0
69.13076	7.5
69.70235	1.2
71.04983	4.3
77.03914	1.5
79.05501	47.4
81.03432	6.5
81.07060	34.8
83.04984	5.9
83.08622	17.5
85.06564	2.7
85.83415	1.3
91.05484	39.4
92.05809	2.1
93.07048	35.4
95.04975	30.4
95.08607	16.8
97.06546	6.2
97.10176	21.1
98.23380	2.5
99.08132	1.8
103.05483	4.9
105.04516	2.4
105.07035	27.0
107.04960	14.8
107.08595	21.5
109.06544	8.0
109.10183	6.7
111.08093	3.1
115.05476	4.1
116.06181	1.5
117.07020	20.1
119.04920	3.0
119.08588	14.1
121.06507	20.0
121.10146	13.9
123.08104	6.1
125.09622	15.9
128.06239	6.0
129.05501	2.6
129.07013	22.3
131.04921	13.2
131.05841	1.7
131.08571	29.6
133.06482	9.4
133.10135	7.2
135.08060	11.0
135.11702	2.8
137.09654	1.8
141.06972	12.0
142.07803	2.8
143.08572	13.8
144.05652	1.4
145.06502	22.2
145.10112	15.3
147.08069	8.4
147.11713	2.1
149.09634	24.8
153.07027	2.9
153.09093	2.0
154.07835	2.7
155.08583	8.2
157.06505	5.4
157.10097	7.0
159.08073	11.1
159.11736	8.8
161.09608	4.5
161.13264	3.6
163.11195	5.2
165.06964	1.9
167.08546	4.6
169.10159	14.2
171.08076	4.9
171.11687	17.2
173.09676	6.7
173.13318	1.8
175.11218	4.6
177.12761	2.8
179.08545	1.7
181.10150	5.8
183.08072	1.8
183.11722	6.0
185.09648	4.6
185.13309	5.4
187.11229	9.0
189.09145	4.4
189.11232	12.0
189.12802	12.1
193.10104	1.7
193.12358	1.8
195.11708	4.1
197.09648	4.1
197.13445	2.4
199.11201	5.2
201.12801	3.9
203.10760	1.7
205.12260	7.8
211.11163	6.9
211.14917	2.2
213.12741	4.3
215.10712	2.7
217.12083	1.5
223.13310	5.8
225.12787	3.7
227.12816	4.3
229.12216	3.8
231.13895	3.2
243.13843	5.3
249.14973	2.5
257.15350	3.9
261.14932	2.3
267.16010	4.2
273.14890	3.7
277.19589	1.6
295.20633	4.2
305.19055	2.6
313.21497	7.4
321.17010	1.5
323.20108	20.3
323.23691	1.9
324.20474	2.7
341.21121	100.0
342.21246	6.2
343.22815	1.5
345.53119	1.5
355.12271	1.5
359.22098	10.3
379.22571	2.6
397.02710	1.6
397.23785	2.7
415.19629	2.3
415.24799	32.8
416.25183	3.1
433.25867	63.0
434.26224	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	433.2589
Annotation	Rastevione
Peak:m/z	Relative Intensity
60.32331	13.5
64.33697	12.1
67.05499	54.6
67.82897	13.0
69.49682	75.1
79.05509	21.5
81.07051	43.2
81.50633	13.0
83.08578	17.6
91.05480	23.7
93.07043	26.3
95.08602	44.7
119.04934	17.5
119.08580	17.0
121.10143	16.8
137.09665	14.8
147.04407	100.0
165.05553	23.4
228.75473	15.8
408.20096	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	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	28.5
59.05001	72.3
67.05510	15.8
69.03465	3.5
69.03825	22.9
69.07086	8.7
71.04983	4.0
75.41858	3.0
79.05505	17.5
81.07072	20.5
83.04990	3.7
83.08640	3.5
85.06546	100.0
91.05485	47.2
93.07032	31.8
95.04971	9.0
95.08617	24.8
99.08131	6.4
105.07038	43.0
107.08611	21.4
109.05894	3.4
109.06559	12.7
109.10158	19.5
111.08123	8.1
115.05492	8.1
117.07005	21.1
119.08581	70.6
121.06543	3.5
121.10146	27.8
122.07272	8.1
123.08081	10.1
125.06008	4.4
125.09637	27.3
128.06268	7.1
129.07045	11.8
130.07799	2.9
130.15376	3.3
131.08577	20.3
133.10144	25.5
135.08049	6.2
135.11694	7.3
136.52930	2.7
137.09639	17.0
142.07768	15.5
143.08537	24.1
145.10118	30.8
147.08086	3.9
147.11694	8.3
149.09702	10.1
151.11188	26.1
155.08615	7.8
156.09392	11.3
157.10135	28.5
159.11668	14.2
161.09619	5.1
163.11221	10.6
165.06985	3.9
165.09076	3.5
166.07774	4.5
167.08681	6.3
168.09395	7.1
169.10141	11.2
170.10976	6.5
171.11667	20.5
173.09671	6.1
173.13301	9.6
175.11267	3.5
177.12852	3.0
179.08554	8.7
181.10193	7.1
183.11757	12.1
185.13300	9.1
187.14799	3.7
189.12761	4.3
193.10197	4.9
194.10904	4.7
195.11758	12.2
197.13263	7.3
201.12758	6.3
203.14407	9.3
206.10884	4.2
207.11702	4.9
208.12526	4.7
209.13324	13.3
211.14996	4.1
221.13258	6.6
223.14870	7.0
235.14926	7.7
237.16396	3.7
247.14886	4.3
261.16437	3.3
289.19702	3.9
433.31039	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	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.1
55.05507	32.4
59.05005	70.3
67.05499	20.6
69.03429	7.5
69.07054	4.8
74.59725	4.9
79.05498	19.1
81.07056	18.9
83.04967	5.1
85.06544	100.0
91.05481	53.1
93.07049	44.6
95.04974	5.6
95.08612	28.4
99.08102	5.8
105.07031	43.2
107.08604	23.0
109.06541	11.4
109.10172	13.1
111.08081	13.6
115.05534	7.2
117.07014	22.2
119.08588	83.1
121.06541	7.3
121.10157	18.8
122.07279	9.9
123.08098	7.1
125.09654	25.8
128.06258	13.3
129.06998	11.8
131.08597	34.8
133.10139	18.7
135.11717	15.6
137.09650	32.1
142.07796	9.8
143.08510	23.5
145.10104	34.4
147.08089	6.2
147.11710	11.1
149.09654	7.1
151.11191	24.1
155.08533	10.2
156.09303	11.6
157.10141	22.5
159.11728	17.5
163.11131	8.5
167.08548	10.7
168.09262	6.2
169.10146	12.5
171.11707	18.3
173.13225	8.8
175.11127	6.1
179.08598	12.3
181.10146	9.1
182.10924	7.0
183.11736	21.4
185.13293	14.8
187.89590	5.8
193.10124	10.4
195.11604	11.9
197.13271	8.9
203.14282	9.6
206.10994	5.5
207.11711	9.2
209.13162	8.1
223.14751	4.6
433.30930	8.2
434.96729	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	434.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03954	0.4
55.01886	0.4
56.05035	2.1
57.03436	0.4
67.05494	1.1
68.99803	1.6
72.54922	0.3
74.06086	17.6
77.03926	0.9
84.04508	0.4
85.02926	0.5
89.06040	0.5
91.05470	0.5
95.04975	1.1
97.02899	0.5
98.06072	0.8
98.22630	0.7
102.05562	4.1
105.03406	1.6
105.04512	0.5
105.07002	0.4
107.04957	1.1
111.00808	2.3
111.04436	0.3
116.07098	5.1
119.04953	0.8
120.06585	13.2
121.06529	0.6
123.04435	100.0
124.04765	2.8
127.03948	0.5
133.08615	0.5
135.04424	3.4
139.03905	14.0
140.04239	0.5
143.04889	0.3
144.06567	4.7
145.06551	0.4
147.04413	9.6
148.04829	0.3
151.03931	2.4
153.01842	1.1
153.05475	1.1
157.06424	0.3
161.05983	0.9
162.07626	11.1
163.03934	2.9
163.07571	1.8
164.57281	0.3
165.05511	1.3
167.07062	0.4
177.05516	0.5
181.06567	0.4
189.05453	1.6
195.01146	0.5
203.07088	0.3
217.70554	0.3
227.07104	0.7
245.04480	0.4
254.10246	0.4
255.06544	1.3
273.07593	30.5
274.07999	1.7
296.11411	1.7
303.04962	0.7
417.67487	0.3
434.09116	0.3
434.21594	1.0
434.27274	0.4
435.11533	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	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
63.67038	0.3
67.01144	0.4
70.50841	0.6
71.01336	0.5
72.08148	0.5
75.04483	0.7
85.02917	2.6
86.09694	0.8
91.05502	0.6
93.07037	0.4
95.01335	1.8
97.02895	0.6
99.52721	0.4
113.02367	0.6
120.08032	0.5
121.06509	100.0
122.06847	3.4
133.04932	0.4
137.97142	0.3
141.01843	2.9
152.24153	0.4
153.01758	0.5
153.10045	0.3
158.73358	0.3
165.01839	0.7
167.05807	0.4
167.07059	4.4
191.03413	0.4
195.02937	1.6
219.02908	0.6
223.09656	26.7
224.10033	0.8
231.02826	0.6
241.10728	8.5
261.04004	0.6
285.07742	0.4
351.08334	0.4
373.32242	0.4
399.12759	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40207	1.9
54.70436	1.9
55.01879	2.7
57.03434	24.4
59.05003	3.3
60.30509	1.6
60.38259	2.0
61.02920	7.3
61.34525	2.3
69.03432	70.5
70.31985	3.1
70.32311	3.6
71.01370	2.3
73.02917	21.5
79.05523	1.7
81.03453	4.7
82.20935	1.8
85.02908	100.0
87.04475	44.8
87.04982	3.8
94.16391	1.8
97.02892	63.4
98.23334	3.0
99.04495	6.2
105.07056	7.5
109.02892	5.4
112.93937	1.8
115.03929	75.6
127.03911	18.2
133.04971	73.1
145.04964	37.2
147.08171	2.1
150.07664	10.1
163.06024	17.2
170.15390	2.3
215.87045	1.9
219.10515	2.4
241.07076	2.2
259.08099	2.5
277.09320	2.6
285.13342	2.2
295.10236	2.7
298.77097	1.9
306.05142	1.9
388.21225	2.2
419.92038	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.94793	0.5
70.90433	1.1
86.06068	0.6
88.41788	0.6
91.05460	3.7
93.07054	6.2
95.04956	1.3
98.45634	0.5
103.05484	5.0
105.04520	0.5
109.66060	0.5
119.80146	0.5
121.06509	100.0
122.06869	4.2
135.04720	1.2
138.09145	26.5
139.09488	1.1
154.24768	0.5
203.10332	1.0
211.41066	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11568	0.6
53.03942	0.8
61.19130	0.4
62.66815	0.5
69.09994	3.2
73.97153	0.5
81.17030	0.4
82.18546	0.5
86.20888	0.5
91.05485	3.4
93.07034	5.2
95.04948	0.7
103.05460	3.7
121.06507	100.0
122.06836	4.0
137.35738	0.5
138.09145	29.0
139.09517	0.6
153.99344	0.5
158.58545	0.5
166.62657	0.4
310.19409	0.5
315.80783	0.5
378.46817	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93451	4.0
55.05510	11.9
57.03436	6.7
57.07083	3.6
58.99586	17.4
61.01156	4.3
67.05512	27.7
69.03444	5.3
69.07068	11.2
69.31399	17.4
70.06592	4.9
71.04996	7.1
71.08624	13.2
76.01833	5.2
76.02234	63.2
79.05486	9.0
81.07067	17.7
83.00295	3.2
83.08626	6.4
84.04510	17.4
85.02929	9.6
86.09709	3.5
89.00617	11.9
91.05489	8.3
93.07030	17.2
95.08616	22.7
97.02898	4.3
97.10181	6.9
98.97569	3.4
99.08108	17.6
105.07037	21.6
107.08608	19.2
109.10177	25.7
115.04012	3.3
116.01663	12.3
117.07027	3.5
119.08608	11.3
121.02875	4.5
121.06517	5.7
121.10172	10.2
123.08099	4.0
125.09660	5.6
126.12787	3.9
127.11201	34.0
129.06607	4.1
130.04984	6.9
131.08627	5.9
133.10135	27.9
135.11693	4.3
142.03244	3.9
143.10703	7.4
144.01176	7.2
145.04961	5.2
145.10143	8.0
147.11720	9.0
149.13290	18.1
151.11226	3.4
153.01855	6.4
159.08392	100.0
159.11707	8.3
160.08720	3.8
161.13188	6.0
162.02220	28.0
167.07088	4.7
167.14339	25.8
179.04861	43.4
181.04910	3.8
184.11539	3.4
201.16400	10.3
202.12643	20.6
219.17542	19.2
233.06013	6.9
233.08145	3.9
271.05893	6.2
272.06464	14.7
287.14261	78.5
288.14679	4.8
303.04895	22.1
305.15317	6.2
359.16486	17.5
434.21335	20.0
434.25946	4.1
435.20032	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.6
62.52354	7.3
67.05495	29.9
69.07081	16.4
70.17718	6.8
70.38302	25.7
75.61192	7.5
79.05503	15.1
81.07065	100.0
85.02892	14.9
91.05502	8.8
93.07028	25.6
95.08605	88.1
106.07355	8.5
107.08592	26.9
109.10128	41.5
116.49809	7.8
117.07030	8.0
121.10122	16.8
123.11675	17.0
145.10107	8.1
155.10826	7.0
163.14893	18.3
201.16371	15.6
219.17378	23.1
237.18517	52.2
410.68375	8.1
435.19785	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	18.2
55.33097	24.2
67.05506	27.9
69.03435	27.4
70.56224	61.9
71.05006	44.3
72.09190	19.2
81.07069	40.3
84.51975	22.4
85.02908	47.0
88.14837	19.4
95.08598	33.7
104.77328	18.8
105.07024	53.9
107.08591	24.5
109.10151	23.6
121.06512	26.2
121.10168	24.5
121.87000	19.3
125.09621	53.9
133.10147	85.0
143.10670	29.7
145.10107	42.6
147.44392	20.3
151.11176	27.1
153.01884	26.2
159.11691	26.0
161.13280	49.4
167.14345	49.3
201.16400	30.3
219.17487	69.4
256.40417	22.1
271.06033	23.8
272.06387	80.7
303.05029	100.0
311.99008	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0559
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
55.01883	1.4
56.51667	0.2
57.03444	2.9
59.04996	0.3
61.02935	0.4
64.91137	0.2
69.03432	2.9
69.76144	0.8
71.01350	0.9
73.02635	0.2
73.02930	1.9
85.02909	2.9
87.04469	0.4
89.03947	0.2
91.05492	0.4
93.07020	0.2
97.02898	2.8
103.03951	0.3
105.07034	0.8
106.07376	0.2
107.04951	0.6
115.03931	1.9
121.02894	0.5
121.06486	0.4
123.04428	0.5
124.03959	0.3
129.75739	0.2
133.05000	1.1
135.04425	0.2
137.05997	0.2
139.03934	0.2
145.02824	0.6
147.04401	0.7
149.06001	0.3
151.03937	1.0
153.01784	0.3
157.02829	0.5
161.02399	0.2
161.05939	0.3
163.03946	0.4
167.07060	0.3
173.02275	1.4
175.03876	0.6
181.04936	0.4
185.02339	0.3
191.03416	0.7
195.02888	0.2
201.01845	3.7
202.02191	0.2
203.03450	0.9
207.02931	0.3
213.01842	0.9
217.01303	0.7
219.02945	1.1
229.01311	4.8
230.01620	0.2
231.02895	1.3
241.01366	0.9
247.02368	4.8
257.00827	12.2
258.01178	0.5
259.02423	1.8
275.01868	10.3
276.02182	0.7
285.00314	11.0
286.00766	0.9
303.01358	100.0
304.01727	5.7
367.19089	0.2
435.05798	1.1
435.11249	0.3
435.21695	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	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
54.34032	0.5
55.01879	0.8
57.03437	6.4
61.02925	1.7
67.05505	0.8
68.99778	1.1
69.03445	0.9
69.59225	1.6
73.02918	10.8
77.10523	0.6
85.02910	1.4
89.71912	0.6
93.03398	0.5
93.07047	0.5
97.02909	0.9
107.04903	1.0
109.02891	0.8
111.00810	1.4
115.03931	1.0
121.02909	2.7
121.06498	2.3
122.06820	1.2
123.04453	1.2
137.02364	4.1
137.05966	1.2
145.06522	0.8
153.01845	7.6
161.05978	0.8
161.13297	0.9
163.03923	1.1
165.01819	2.8
178.05118	0.5
179.03506	0.7
181.04950	1.0
183.02904	1.3
201.05463	3.0
213.05614	0.6
229.04909	5.5
247.06009	1.0
249.11282	1.0
257.04422	3.0
265.07910	0.7
285.03934	1.9
303.04993	100.0
304.05267	6.2
315.04892	0.7
435.19757	0.9
435.33292	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	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.66766	1.6
55.01878	2.3
56.64645	1.7
57.03450	2.4
69.03421	1.8
70.32792	3.1
70.33128	2.3
73.02917	1.6
79.84638	1.5
118.11486	1.6
121.02806	1.8
125.67855	1.5
137.02313	4.2
153.01842	5.9
165.01758	1.8
201.05511	3.0
229.05028	5.0
285.03888	2.3
303.04999	100.0
304.05371	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	435.1266
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
51.57369	0.5
53.01860	0.6
55.05514	0.6
68.82468	0.5
69.07044	0.6
70.50617	1.4
79.05472	0.7
81.07053	1.0
85.02927	0.8
89.35978	0.5
91.05495	1.6
93.07061	1.4
95.08659	0.7
103.05452	0.8
105.07018	0.8
107.08569	0.8
117.05927	0.5
119.08591	0.7
121.06520	6.1
121.10116	0.9
132.04465	0.8
133.04939	0.7
137.05928	1.1
138.05527	2.9
149.68602	0.6
167.03224	0.9
178.69263	0.5
181.04951	0.8
185.04175	0.6
186.06564	1.1
187.07298	0.7
205.01424	0.6
227.05283	2.3
258.11209	3.4
271.04269	4.3
273.14655	6.0
303.01913	0.7
303.04913	2.9
346.45462	0.7
349.12643	5.2
373.12820	1.5
391.13666	46.3
392.13892	2.7
435.12708	100.0
435.19751	14.2
436.12927	6.1
436.19434	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	435.1265
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
51.43668	0.4
65.77025	0.4
69.06657	3.2
79.05540	0.5
81.07082	0.6
81.93659	0.4
91.05482	0.7
93.07071	0.6
103.06001	0.6
109.10157	0.7
127.00056	0.8
136.12015	0.5
167.03209	1.1
171.04207	1.4
185.04256	1.1
186.06523	5.9
187.07306	1.8
194.84311	0.6
204.83618	0.5
227.05290	3.9
271.04257	5.5
273.14590	0.7
349.12573	7.1
373.12628	2.0
391.13654	53.8
392.14014	3.5
408.80255	0.6
435.12643	100.0
435.19244	5.2
436.12958	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	435.1287
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.97033	0.6
53.03935	0.9
55.01860	2.5
57.03443	9.6
61.02921	1.2
65.03939	1.3
67.05514	1.2
68.99779	5.1
69.03451	1.4
73.02914	3.1
79.05484	1.3
81.03420	4.7
85.02909	22.9
86.09714	0.7
91.05484	3.3
93.03406	1.5
95.01337	0.9
95.04956	5.4
97.02888	4.6
98.22552	1.5
102.76517	0.8
103.05470	1.4
107.01307	1.7
107.04977	3.8
109.02880	5.5
111.00806	1.6
113.99371	0.7
119.04942	7.1
120.08058	1.0
121.02871	18.5
121.06454	1.1
123.04435	5.0
125.02399	3.5
131.04980	1.0
135.04411	4.0
137.02367	2.3
141.01842	1.3
147.04414	18.1
148.11240	1.1
149.02364	4.0
151.03934	1.6
153.01830	14.9
163.03922	11.2
165.01849	58.3
166.02200	2.2
167.03377	1.8
169.08208	0.7
171.02927	3.7
175.03964	1.5
177.01843	14.6
177.05473	1.4
179.03392	2.3
183.02910	15.5
186.81975	0.7
187.03902	2.5
189.01831	7.3
190.99689	1.1
191.03394	29.6
192.03719	1.1
193.01315	1.7
195.02899	100.0
196.03235	2.6
203.03374	6.3
205.04961	6.2
207.02893	2.6
209.00842	1.2
209.04446	2.5
214.38379	0.6
215.03387	3.9
217.01257	1.2
219.02895	53.9
220.03323	1.6
231.02895	32.2
232.03215	1.1
233.04469	4.2
237.03935	1.0
243.02911	9.4
249.03951	17.8
249.36108	0.9
257.04465	1.6
261.03952	25.0
261.06686	1.6
262.04184	1.1
273.07648	6.4
279.04980	16.1
285.07571	31.2
286.07999	1.7
297.06186	8.0
303.04965	13.8
304.05267	1.0
309.07257	0.8
315.08643	8.2
339.08624	26.2
340.08923	1.5
351.08636	18.8
353.10117	0.9
363.08621	7.0
369.09549	2.3
381.09665	6.6
399.10782	7.2
417.11710	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	435.1286
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01872	5.9
57.03434	15.9
61.33134	2.8
65.03947	2.8
68.99796	6.0
69.03423	13.3
69.23604	17.4
70.06610	4.6
71.01335	3.3
73.02934	5.0
79.05507	4.0
81.03436	6.1
83.93170	2.3
84.28841	2.4
85.02915	36.1
87.04460	7.2
90.96970	2.6
91.05477	5.6
91.89590	2.6
94.11838	2.6
95.04981	5.4
95.69681	2.6
97.02884	11.6
103.03946	3.7
105.07027	5.1
107.04963	4.1
109.02888	9.4
111.00813	4.1
115.03922	9.0
116.04272	3.3
117.86319	2.9
119.04945	7.9
120.08126	2.9
121.02880	28.5
121.06518	6.5
123.04456	14.3
124.03878	2.9
131.04964	3.6
133.04967	11.5
135.04393	6.0
137.02365	6.9
137.05974	6.6
139.03961	6.0
147.04422	14.6
148.11194	3.4
151.03964	5.5
153.01834	19.2
161.06018	4.5
163.03937	9.1
165.01859	41.6
167.07069	5.9
171.02983	3.3
177.01816	15.8
177.05385	2.9
179.03555	2.6
181.04941	7.2
183.02922	19.1
187.03999	5.8
191.03378	29.1
195.02908	93.0
196.03369	4.6
203.03500	3.3
207.10040	2.8
215.03334	3.3
219.02921	39.1
229.01495	3.1
229.05060	7.4
231.02869	22.4
233.04523	2.9
233.08005	6.7
243.02902	4.2
249.03972	8.0
257.00876	11.6
257.04367	4.0
261.03958	22.2
273.07465	7.2
275.01843	8.8
279.05011	6.5
280.74643	2.8
285.00317	9.0
285.04532	4.2
285.07626	33.8
297.07620	12.7
303.01346	92.3
303.05005	100.0
304.01733	5.9
304.05338	8.6
315.08521	14.0
339.08719	25.7
345.05991	4.3
351.08597	18.5
363.08575	8.1
381.09717	8.2
399.10818	8.5
405.14618	3.1
435.09219	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	435.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.3
55.71412	2.0
57.03423	5.7
58.32609	1.8
60.40474	2.0
61.19059	1.7
69.03427	5.6
69.07060	2.2
70.06599	8.8
70.29158	1.8
71.28806	2.4
72.08142	11.5
75.36724	2.0
81.03413	5.0
82.06593	3.4
83.04966	2.1
83.08620	6.7
85.02903	26.6
86.09702	12.9
87.00842	3.3
91.05490	5.2
93.07043	5.3
93.43065	1.8
95.04964	4.0
97.02898	7.0
100.11255	24.9
105.01832	5.8
107.05008	3.0
107.08622	3.4
109.02868	8.4
109.10146	4.3
111.04462	3.6
119.04964	4.5
120.08106	14.8
121.02850	6.5
121.06532	4.1
123.04428	7.5
124.03955	2.3
127.03931	8.0
128.07074	2.8
135.04431	4.3
135.11690	7.9
139.03827	1.9
139.08617	2.5
145.04973	1.9
147.04414	17.7
149.02412	1.9
153.01849	15.1
153.12781	5.6
163.03914	8.1
165.01828	43.9
171.02870	5.0
177.01869	10.6
179.03387	4.8
182.15393	14.4
183.02910	25.8
184.03206	2.1
185.16568	2.3
187.04114	2.1
189.01793	3.0
191.03413	20.5
195.02892	100.0
196.03183	4.7
203.03351	4.2
205.04926	4.6
207.02911	2.6
209.04385	4.4
209.16446	11.7
210.14909	12.6
215.03372	1.8
219.02879	42.0
226.19135	6.2
231.02875	12.4
231.04947	3.8
233.04456	3.0
233.16472	2.9
243.02853	4.5
249.03917	16.0
255.06587	2.0
261.03946	24.9
273.07574	7.5
279.04913	13.4
285.07578	28.5
297.06158	7.7
303.01776	2.6
303.04807	9.9
309.07379	2.7
315.08658	17.9
336.22723	6.2
339.08633	24.0
340.08484	2.3
351.08450	4.9
363.08545	3.6
369.09616	20.3
381.09482	8.7
399.10645	11.9
417.11679	14.3
435.12976	15.0
435.28180	2.6
435.33417	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.129
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.04660	0.6
50.24760	0.5
55.05505	0.5
55.81985	0.5
57.10341	0.5
64.75231	0.5
65.03938	0.6
66.13662	0.4
67.01857	1.3
68.81322	0.4
68.99792	1.5
69.01410	4.2
69.03436	1.2
72.08144	0.9
73.20632	0.5
81.03412	0.7
83.08662	0.5
85.02911	1.2
89.81170	0.4
91.05470	4.8
93.07074	0.8
95.04958	1.8
97.02905	0.8
100.11202	0.6
106.04173	1.0
107.04956	1.9
109.06473	0.6
117.03446	0.5
119.04951	11.1
120.05221	0.5
121.02911	0.6
121.06501	2.5
123.04423	3.6
147.04413	41.0
148.04681	1.2
149.06000	2.0
153.01830	84.2
154.02155	2.1
171.02888	1.9
177.05431	1.5
179.03362	1.0
181.04997	1.3
181.08572	0.9
182.15366	0.6
183.02844	0.5
185.68970	0.5
189.05513	1.1
209.08072	2.4
219.10310	0.6
231.06541	0.7
233.08134	0.7
273.07574	100.0
274.07816	5.8
303.05020	3.7
435.19492	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	435.1629
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
68.59652	0.3
69.06992	0.4
70.06555	0.4
71.29667	0.5
78.47724	0.3
79.05486	0.5
85.02900	0.6
89.59603	0.4
93.07054	0.6
102.29400	0.4
105.07012	0.4
106.80625	0.4
113.44628	0.4
119.04891	0.5
134.42119	0.4
147.04416	2.1
149.05962	0.5
151.14772	0.5
185.04214	14.2
226.16394	0.4
229.11908	1.4
273.10968	100.0
274.11331	4.9
291.10727	0.5
300.73532	0.4
303.05026	2.5
376.21649	0.4
391.13669	1.8
435.16293	44.1
436.16592	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.251
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.38867	3.1
55.05518	9.6
57.03426	3.7
67.05497	21.7
69.07084	10.2
70.06597	3.5
79.05467	7.6
81.07062	21.5
83.08602	6.1
90.70767	3.5
91.05486	6.4
93.07067	11.4
95.08598	17.6
98.23360	10.7
98.98477	26.6
105.07047	10.1
107.08601	4.2
109.06528	100.0
109.10181	11.3
119.08617	7.7
119.57357	3.3
121.06518	3.6
121.10156	5.2
125.09499	3.1
133.10150	8.2
143.08549	3.4
145.10168	7.2
151.07574	6.1
155.01071	6.6
173.02170	4.6
183.11694	4.1
184.04439	4.0
197.13190	5.0
201.12608	3.3
209.13336	3.4
245.22659	4.8
258.66110	4.0
263.23804	5.7
279.81946	3.9
337.27368	33.1
338.27762	4.3
435.29156	14.6
435.79538	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	435.2506
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05514	28.2
57.03435	20.9
57.07082	8.2
67.05502	61.6
69.07079	27.2
70.36900	5.2
70.37220	4.8
72.15861	3.7
79.05505	22.3
81.07058	68.0
83.08647	20.2
85.10172	3.9
91.05478	18.1
93.07047	23.7
95.08607	57.8
95.09184	6.2
97.06548	5.1
97.10189	12.3
98.98460	88.3
105.07015	15.9
107.08601	15.7
109.06519	64.9
109.10161	21.1
109.22750	3.4
111.08069	4.9
119.08579	11.6
121.10161	12.7
123.08099	4.3
123.11739	10.0
131.08588	5.5
133.10121	8.5
135.11769	4.2
142.58861	3.7
143.08577	4.9
145.10117	3.9
147.11720	4.1
155.01012	17.5
173.02145	13.7
173.13220	4.8
177.00430	4.0
206.05760	4.4
245.22665	6.2
256.26422	6.1
263.23660	19.6
303.04813	5.0
320.67880	4.7
337.27359	100.0
338.27707	4.7
435.29056	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	435.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01883	0.3
55.05512	2.2
56.05037	20.7
57.05373	0.3
57.07071	0.7
67.05506	10.1
68.05038	0.9
68.97855	1.7
69.07070	8.0
70.06586	1.4
71.04999	0.2
72.04523	1.0
79.05499	1.3
80.05009	0.5
81.07060	2.9
81.31058	0.2
82.06612	0.3
83.08617	1.6
84.08124	0.4
86.06117	0.2
89.06046	0.9
91.05487	4.9
93.07048	4.2
94.06545	0.3
95.04972	0.5
95.08610	4.4
96.08137	0.3
97.10164	0.4
98.09672	0.4
105.07033	0.3
107.08603	0.8
108.08125	0.6
109.06525	0.6
109.10156	14.6
110.09701	0.8
110.10443	0.3
110.55556	0.2
111.08086	1.1
111.11702	1.9
112.11255	0.3
115.14536	0.2
117.07018	0.5
119.08577	4.3
120.24585	0.2
121.10146	0.6
123.53002	0.2
125.09647	0.6
126.12804	1.0
133.08597	0.3
135.11711	0.6
136.11217	3.0
137.09628	4.7
137.80901	0.3
153.13852	0.4
154.12268	100.0
155.12631	2.6
171.14929	62.1
172.15327	1.5
181.08548	0.2
186.00932	0.2
264.49002	0.2
274.70389	0.2
290.44095	0.2
329.78369	0.2
384.05118	0.2
417.38422	0.5
418.36871	2.2
419.36914	0.3
432.44809	0.2
435.39536	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	436.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.7
54.84298	1.9
55.01640	2.2
55.01870	11.6
57.03426	5.4
61.02923	6.2
65.03951	5.1
68.99788	6.1
69.03432	40.8
69.22887	12.6
71.01364	2.7
71.05004	6.5
73.02910	10.6
81.03420	36.4
83.01381	2.0
85.02908	100.0
87.00828	38.0
93.03404	2.4
97.02896	40.8
99.04458	16.0
103.03943	2.9
105.01869	31.0
107.04967	8.6
108.04486	10.0
109.02881	37.6
111.04435	14.8
115.03917	3.2
117.01847	5.5
126.05505	6.2
127.03923	63.2
129.01845	5.6
133.05005	3.1
135.04443	2.6
139.03905	43.6
140.04216	2.6
145.04965	31.4
147.02887	5.4
149.06039	2.7
153.05449	2.9
159.02882	21.6
163.03909	16.6
171.06519	64.4
172.06931	2.7
174.60905	2.1
177.05539	2.8
181.04977	8.8
189.03967	5.9
191.03297	1.9
193.01334	2.8
195.06534	29.2
205.04945	2.7
207.06505	3.2
213.04187	2.1
213.07600	22.1
222.05287	3.0
230.06654	2.9
231.05075	13.1
237.07585	11.4
248.07620	3.7
261.05157	2.2
261.07483	10.6
279.08588	13.6
407.41275	2.2
436.19571	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	436.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	4.5
70.06590	2.3
71.04982	0.9
71.28274	0.8
72.08171	1.5
79.01872	2.8
81.03412	6.5
84.08147	1.1
85.02912	3.2
85.49297	1.0
86.09718	1.7
97.02899	6.6
98.00340	1.1
102.19954	1.1
105.01907	1.4
109.02881	5.4
116.69519	0.9
119.17239	1.0
120.08110	2.5
125.02324	1.8
127.03894	8.4
136.07567	1.6
143.03424	4.3
145.05029	2.7
153.01837	100.0
154.02148	4.8
161.09164	1.2
171.02882	12.0
182.76134	1.0
191.03270	1.1
203.05290	3.9
219.02980	1.8
229.05019	1.3
230.07986	4.8
247.02325	1.6
274.06982	4.4
297.06003	13.6
315.07059	13.0
436.12244	2.2
436.20508	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	436.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
51.32908	0.5
51.47660	0.5
51.89563	0.5
52.93913	0.5
53.03924	1.5
55.78128	0.5
58.04341	0.5
58.34607	0.5
59.14309	0.5
71.07883	1.2
74.48560	0.5
91.05480	5.7
91.48883	0.6
93.07050	6.4
95.04967	1.7
100.93492	0.6
103.05476	5.4
121.06509	29.2
122.06821	1.3
123.04413	0.5
137.05975	6.7
147.04408	1.0
149.05948	2.0
152.06158	1.1
153.06949	2.5
157.06464	0.7
164.07053	2.7
167.07043	1.1
168.05737	2.8
169.06488	1.6
174.05278	0.7
179.04906	0.8
181.04951	1.0
181.06467	3.3
182.05312	0.6
182.07106	0.8
183.08061	9.8
184.08478	0.7
185.04332	0.7
185.05991	1.8
195.08084	0.8
196.05225	4.0
197.05949	2.3
198.06628	0.7
199.07495	0.6
200.08342	1.1
207.04378	1.0
209.05916	0.6
210.06721	1.2
211.07539	22.6
212.08031	2.2
213.05490	2.5
213.09085	1.5
224.04709	3.0
225.05492	1.0
228.07755	2.6
239.07022	30.3
240.07480	2.7
241.04933	1.6
241.08546	1.6
243.10190	11.5
244.10403	0.7
256.07407	5.4
258.08875	7.5
267.06531	2.1
271.09653	100.0
272.10004	5.9
273.11258	3.9
299.05704	1.1
299.09131	18.6
436.17554	36.4
437.17090	2.8
437.22800	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	436.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
61.56341	0.5
69.30179	3.4
70.95103	0.5
91.05475	5.2
93.07041	7.2
95.04958	2.7
103.05467	6.4
105.06999	0.7
118.47846	0.5
119.43295	0.5
121.06507	31.1
122.06831	1.4
137.05966	5.3
147.04411	1.0
149.05975	2.5
151.07539	1.1
152.06105	0.6
153.06989	2.4
164.07057	2.4
165.07066	0.7
167.62245	0.6
168.05710	3.6
168.06926	0.5
169.06422	1.2
174.69092	0.7
181.05141	0.6
181.06473	3.2
182.05400	0.7
182.07297	1.4
183.08054	10.7
184.08372	0.9
185.05959	1.7
196.05162	4.5
197.05988	3.2
198.06772	0.9
200.08205	0.9
202.05135	0.6
207.04459	1.1
209.05923	0.7
210.06729	0.7
211.07530	24.6
212.08109	1.7
213.05446	2.5
213.09135	1.2
224.04654	2.9
225.05380	1.8
227.07141	0.6
228.07790	3.1
238.06192	0.6
239.07022	29.0
240.07509	3.3
241.04898	2.2
241.08620	1.7
243.10170	11.6
256.07321	7.4
258.08859	7.9
267.06522	2.4
271.09650	100.0
272.09961	5.2
273.11276	4.4
299.09149	16.9
300.09329	1.6
345.32050	0.7
436.17517	34.1
437.17682	2.5
437.22205	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	436.1967
Annotation	Neoxaline
Peak:m/z	Relative Intensity
55.01858	1.0
55.05513	0.5
56.05039	0.5
56.96576	0.3
57.03488	0.4
58.46244	0.3
60.04522	0.5
65.03946	0.4
67.05502	1.4
69.03428	2.6
69.07059	0.4
71.04974	0.7
76.02232	0.9
79.05486	1.2
80.05029	0.8
81.03412	0.8
81.07053	0.6
83.01342	0.8
83.05003	0.7
84.04508	1.1
85.02917	1.0
85.06544	0.6
86.09716	1.3
91.05489	1.6
93.07046	0.7
95.04967	1.1
97.02902	1.0
97.06529	1.4
98.22630	1.3
103.05469	0.7
105.07048	1.1
106.06561	1.9
107.04971	1.3
107.08623	0.4
107.99374	0.5
110.09734	0.4
115.03954	0.7
115.05459	0.7
116.01690	0.4
117.07011	1.3
118.06582	0.7
119.04959	0.8
119.08558	0.4
120.08099	0.9
121.06511	0.9
122.09720	0.4
127.03921	0.6
128.06206	1.1
129.07036	1.1
130.06509	0.9
131.08618	0.5
132.08133	0.6
133.06532	0.7
134.09653	0.7
135.04349	0.7
135.08078	0.7
137.06004	0.7
139.03853	0.8
141.06963	0.6
143.08592	1.3
144.08147	0.6
145.06480	1.2
146.09650	0.6
147.07983	0.6
150.09151	0.6
151.07571	0.7
152.10730	1.0
153.01836	1.4
153.05475	1.0
153.06976	0.5
155.08582	0.9
157.06516	0.5
159.08032	0.6
159.09204	0.7
161.05965	0.4
163.03922	0.6
165.05536	0.9
167.08580	0.4
169.06474	0.5
170.11739	1.0
171.06586	0.5
171.08051	1.5
172.11168	0.8
173.05986	0.6
175.07605	0.5
177.05536	0.6
183.08022	0.6
185.05960	0.4
190.12201	0.4
191.03392	1.5
193.04987	1.8
193.06528	0.9
195.08087	0.5
199.07556	0.9
205.01312	0.4
205.08687	0.4
213.09044	0.4
218.11775	0.5
219.02917	2.1
231.10231	0.6
236.12880	1.6
239.02251	0.6
245.08075	1.3
247.02440	1.5
273.00131	0.4
274.06866	0.4
275.01950	0.9
277.10733	1.9
279.08688	0.9
281.03467	0.4
289.10809	1.6
291.12335	0.6
293.02841	0.8
436.19662	100.0
437.14478	0.4
437.20004	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
69.15803	23.7
70.06593	5.0
71.04995	11.4
74.74472	3.4
79.05513	2.8
81.03379	3.3
85.02911	7.0
91.05511	3.5
97.02932	5.0
105.07025	21.3
113.09650	3.2
121.02889	9.3
121.06531	3.5
123.04423	14.8
124.04785	4.8
133.06493	47.9
135.04420	5.0
137.05972	100.0
153.01904	4.9
163.03998	4.6
163.07640	6.7
165.09105	33.0
169.38237	3.1
183.10193	24.9
203.03453	3.8
221.11821	4.1
231.81975	3.2
239.12755	3.3
253.51427	3.4
257.13882	36.4
258.14145	3.5
265.15042	3.8
273.04065	8.3
274.04398	13.4
275.01904	2.9
284.06415	6.1
303.01437	8.1
304.01724	19.7
336.16019	2.9
436.11649	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
69.03423	0.7
69.40505	2.7
71.04988	0.6
74.65989	0.6
81.03412	0.8
85.02931	1.3
91.05489	4.3
93.07053	5.7
95.04971	1.1
97.02885	0.8
103.05470	4.9
105.04501	1.2
121.06509	100.0
122.06840	5.5
123.07162	0.6
127.03850	1.1
137.05980	4.3
138.09142	29.8
139.09518	1.2
140.00574	0.5
145.04814	0.5
154.08629	1.8
162.52824	0.5
163.03900	1.0
168.21806	0.5
171.06508	0.7
178.23193	0.5
191.03430	1.0
219.02905	0.8
275.15640	0.7
339.61224	0.5
399.16718	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38713	2.8
55.05515	3.1
65.38958	2.9
68.43675	2.9
69.03439	9.3
71.04995	5.9
71.29330	3.7
72.08150	2.8
79.05474	6.1
81.03399	5.8
81.07056	6.0
84.04485	4.5
84.08194	2.6
85.02911	14.5
87.00864	4.9
91.05485	9.3
93.07050	6.4
95.05009	5.8
96.68549	2.8
97.02899	5.9
97.06632	3.3
105.01886	10.7
105.07021	6.0
106.04207	3.6
109.02921	5.2
119.04958	12.6
119.08573	5.0
120.05313	6.3
121.06479	3.8
123.04485	4.2
127.03925	6.0
130.05011	4.1
133.06490	8.1
135.11713	5.6
138.71695	2.7
139.03931	8.9
147.04428	32.4
148.04764	24.1
153.01833	74.5
153.12737	10.8
154.02185	38.1
158.56042	3.0
161.05991	3.6
165.01903	3.1
171.02992	3.2
173.09663	3.3
177.05542	4.2
179.07103	8.6
181.04991	4.5
193.08678	7.0
209.07941	4.3
210.08342	6.3
211.09641	13.0
243.80191	2.7
257.15100	5.0
273.07538	39.4
274.07922	100.0
275.08307	6.4
304.05453	2.9
346.34842	3.3
437.21567	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	8.6
64.93976	4.1
65.03946	4.5
67.05517	5.9
69.03431	4.7
70.67017	9.0
73.02909	12.1
76.10593	4.1
79.05486	5.9
79.22358	3.8
81.03395	7.1
81.07064	33.4
85.02907	21.3
86.09727	7.1
87.00835	8.0
87.75596	4.6
93.07061	6.7
94.31045	4.0
95.08621	5.2
97.02901	10.7
105.01882	13.4
105.07057	5.4
107.08599	4.9
120.08067	4.3
127.03872	11.6
133.06509	7.7
135.11635	6.5
137.02393	4.5
137.13219	13.3
145.04941	6.3
153.01865	6.2
181.04961	4.8
193.08620	9.9
211.09637	9.8
303.04886	31.0
304.05347	100.0
305.05576	7.0
372.10562	4.8
436.23325	9.1
437.21503	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87059	2.3
60.41171	2.5
62.11255	2.5
67.05511	6.2
69.07061	3.8
79.05505	4.0
81.07056	21.7
84.04503	3.0
85.02916	8.9
85.06506	2.4
91.05490	13.2
93.07056	10.0
95.08627	8.2
97.02913	3.5
97.06516	3.6
98.07053	2.5
98.50743	2.9
99.41396	2.6
105.07066	4.7
107.08606	10.4
109.10140	5.4
111.04469	6.3
117.03384	3.2
117.99724	2.6
119.04967	17.1
119.08548	4.3
120.08109	31.3
121.06515	7.1
121.10162	3.5
123.04438	38.9
123.11730	6.5
129.06557	2.8
130.05054	3.0
133.10147	4.6
135.11699	3.5
139.03906	100.0
144.06598	2.6
145.02859	4.0
147.04416	46.1
151.03931	9.2
163.14867	11.6
166.08665	7.2
177.05522	10.3
203.18001	11.2
221.19104	11.9
242.56174	2.3
273.07605	5.4
274.11230	4.7
275.12531	6.7
301.73505	2.6
313.07083	4.5
367.17249	3.4
376.03586	2.7
436.23605	3.6
437.12808	3.1
437.16907	5.8
437.22403	19.5
460.17636	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	437.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68570	0.4
51.92811	0.4
58.95939	0.3
59.98832	0.4
66.78479	0.4
67.05515	0.4
70.56528	1.0
85.54952	0.5
91.05485	0.7
93.07070	0.5
93.87852	0.4
94.87605	0.4
116.25898	0.4
119.04964	0.6
147.04445	2.7
175.03987	0.5
185.04182	0.8
204.10210	1.5
217.08751	0.5
228.68237	0.4
232.26971	0.4
275.12537	100.0
276.12894	5.3
292.20023	0.5
317.13718	0.5
377.15646	2.7
393.18866	0.6
437.17722	58.7
438.18073	4.7
438.23810	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	437.215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.4
69.03398	0.9
69.84377	1.5
69.84755	1.5
72.08138	0.6
79.05487	0.9
81.03402	0.8
81.07022	1.7
83.19447	0.7
85.55815	1.0
91.05439	1.0
93.07021	0.8
97.02868	0.7
107.08569	1.2
119.04897	1.7
119.08557	0.7
143.08453	0.7
147.04419	8.3
153.01852	2.9
185.04219	6.7
197.00856	0.8
198.96083	0.6
201.03735	4.6
201.10359	0.7
203.05276	7.6
203.07066	1.0
204.10210	3.4
218.11707	0.6
257.15036	4.4
275.16174	95.5
276.16559	4.8
287.11136	0.9
437.21478	100.0
438.21924	9.1
455.41882	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	437.2145
Annotation	Leopersin N
Peak:m/z	Relative Intensity
50.22896	0.4
50.53436	0.4
51.27108	0.4
51.43206	0.3
55.54684	0.3
56.20088	0.3
59.23678	0.3
69.09097	2.7
72.08143	1.0
74.15807	0.3
75.45116	0.5
79.05489	0.5
81.03402	0.3
86.34853	0.4
91.05479	1.4
93.07078	0.4
98.23307	0.8
104.73467	0.3
105.07059	1.3
107.04984	0.4
118.13563	0.3
119.04956	2.7
123.04413	0.3
133.06483	1.1
137.16443	0.4
138.74959	0.3
139.03880	1.8
146.16441	0.4
147.04419	12.4
150.06779	0.5
153.01788	0.6
161.06053	0.4
165.09177	0.6
167.07082	0.5
177.05585	0.5
179.07059	1.4
181.04929	0.6
193.08620	2.4
203.05353	0.7
204.10229	5.2
211.09641	2.9
218.11755	0.5
257.15140	16.8
258.15570	0.8
275.13290	0.5
275.16135	10.1
276.16565	0.6
292.20337	1.2
327.14032	0.4
419.16898	0.4
437.21500	100.0
438.22263	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	437.2149
Annotation	Leopersin N
Peak:m/z	Relative Intensity
53.71229	0.4
67.05509	0.7
68.56433	0.4
71.29780	0.4
78.84772	0.3
90.18936	0.4
91.05511	0.6
92.47312	0.4
112.60327	0.4
119.04957	0.9
147.04413	5.4
186.09776	0.4
204.10249	2.4
208.74716	0.4
219.99860	0.4
223.57684	0.4
257.15244	0.4
275.16190	0.7
292.20279	0.5
325.68170	0.5
390.81042	0.4
437.21472	100.0
438.21811	9.7
441.91269	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	437.2151
Annotation	Leopersin N
Peak:m/z	Relative Intensity
53.03937	0.5
67.05502	0.9
69.03423	0.6
72.08164	0.9
81.03436	0.6
81.07062	0.8
85.02946	0.6
91.05483	1.4
93.07070	0.7
95.08625	0.5
97.02879	0.5
105.07031	0.7
107.04998	0.5
109.10144	0.6
118.86592	0.4
119.04942	2.7
121.06501	0.5
131.08577	0.5
147.04425	12.6
151.14107	0.4
203.05315	1.2
204.10190	6.1
218.11784	0.6
257.15088	4.5
275.12619	4.2
275.16254	4.6
285.09515	1.4
292.20306	1.3
300.08472	0.6
318.09549	0.9
327.14026	0.9
341.92850	0.4
363.62253	0.4
432.03006	0.4
437.21524	100.0
438.22382	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92815	1.2
63.76254	1.1
66.63210	1.1
67.05509	4.1
69.50356	1.1
71.29041	1.2
72.35024	1.2
78.44110	1.0
79.05502	2.6
81.03451	1.2
81.07053	2.9
83.08617	1.6
84.04520	2.2
91.05487	4.1
92.81392	1.2
93.07053	2.3
95.08625	1.6
105.07018	2.0
109.10155	1.6
110.78098	1.1
114.86626	1.2
117.07036	1.9
119.04962	3.0
119.08607	1.8
131.08492	1.3
147.04424	17.2
153.01924	1.5
185.04218	18.1
185.05690	1.6
189.09219	1.6
203.05305	2.2
204.10182	7.2
257.15201	4.8
275.12866	2.9
275.16174	96.8
276.16626	5.6
403.08591	1.3
437.21475	100.0
438.22769	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	438.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
52.61754	0.5
53.03941	2.3
55.01869	0.6
55.42174	0.4
55.60097	0.4
57.03430	0.6
65.05605	0.4
65.62753	0.5
69.03436	6.9
69.24582	2.4
69.24987	1.2
71.04982	0.9
73.02935	0.7
78.03457	12.2
78.03915	0.7
79.01871	1.2
80.05004	2.5
81.03422	13.7
85.02909	5.1
93.06969	0.5
96.04492	4.2
97.02895	5.1
98.22601	1.0
99.04445	1.9
104.34455	0.5
106.02920	42.9
107.01312	1.6
107.03255	0.6
109.02876	11.1
111.04397	0.6
112.60549	0.4
124.03957	100.0
125.02374	1.9
125.04292	2.8
126.05527	1.1
127.03934	6.6
136.03937	0.6
139.03902	1.8
143.03407	2.2
153.01834	38.4
153.02885	1.8
154.02167	1.0
154.05022	1.9
164.07097	0.6
166.05019	1.6
169.04962	0.7
171.02919	1.5
171.06531	1.6
177.07761	0.5
226.07126	0.5
231.02878	0.5
237.03941	0.6
250.04605	0.9
250.07118	14.8
250.09697	0.8
251.07486	0.7
259.02707	0.5
268.08160	79.4
269.08563	3.9
280.08298	0.7
317.08484	1.3
402.08261	0.9
420.09183	5.6
420.27429	0.6
438.10248	8.2
438.28607	4.0
439.11569	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	438.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.8
53.03951	2.9
54.29972	0.6
55.01867	0.9
56.87976	0.6
57.03430	1.0
61.55290	0.5
63.57690	0.7
69.03092	0.8
69.03434	9.3
71.04977	1.3
71.30659	0.6
71.31029	0.7
72.08125	0.7
73.02911	0.6
75.08430	0.6
78.03459	18.6
78.29032	0.6
79.01859	2.1
80.05024	3.0
81.03423	18.4
85.02907	7.9
96.04510	5.2
97.02911	6.2
99.02140	0.6
99.04443	3.5
101.86828	0.7
106.02923	59.5
107.01309	0.8
107.03258	1.4
109.02880	13.7
114.30453	0.6
123.04433	2.0
124.03960	100.0
125.02376	1.4
125.04316	2.1
125.07155	0.7
127.03930	9.2
137.06000	1.3
143.03389	3.4
145.05005	0.9
146.05994	0.7
147.04454	1.9
153.01833	49.5
153.02776	2.2
154.02206	1.4
163.03804	0.7
166.05092	0.7
184.06123	1.2
187.03984	1.0
203.03474	0.9
208.05872	0.7
215.03387	1.1
231.02841	0.8
250.07117	24.0
251.07353	1.2
251.33598	0.7
256.56165	0.6
259.02335	1.4
268.08170	52.0
269.08524	3.9
269.11130	0.8
275.58572	0.6
277.03455	6.8
281.29694	0.6
287.05441	1.2
288.75195	0.7
350.43289	0.7
420.09244	37.0
421.09680	3.0
438.10220	10.8
438.23547	1.2
439.10342	1.7
439.15787	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	438.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81660	0.2
53.03937	0.6
69.03416	0.5
74.00644	1.0
77.03925	0.2
79.01874	0.3
79.05497	2.2
80.05054	0.2
81.03413	0.6
84.04510	0.4
85.01112	0.2
85.02892	0.5
86.09735	0.3
94.06587	0.6
95.04970	0.6
96.04501	0.4
97.02894	0.5
100.02201	0.4
103.36587	0.2
106.06558	100.0
107.01320	0.2
107.06888	2.7
107.99402	0.2
109.02892	0.3
118.06557	1.2
118.99864	0.4
123.04404	0.2
124.03928	0.2
124.07572	0.2
125.02344	0.4
130.05054	0.3
130.06546	0.2
132.04442	0.4
136.07573	0.2
137.02353	0.8
143.03413	0.4
151.03923	0.3
153.01845	5.0
153.02968	0.5
165.01915	1.2
171.02959	0.3
177.03323	0.4
183.02890	2.9
184.07756	0.2
187.80994	0.2
203.04922	0.2
206.06673	0.2
212.07111	0.7
214.08670	0.3
240.06598	0.7
241.04944	0.3
254.20903	0.2
258.07620	4.0
258.09991	0.1
259.07986	0.2
291.08334	1.2
309.09406	0.2
363.10376	0.2
420.12875	0.6
438.15396	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	438.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.05491	1.1
56.96562	2.5
63.45854	0.9
65.73193	0.8
67.05496	6.4
69.27950	5.1
79.05489	1.6
81.03409	1.3
81.07055	2.4
83.08626	1.3
85.02897	1.2
91.05485	2.5
93.07058	1.0
95.04933	1.5
95.08581	1.2
105.07020	1.4
107.08622	1.1
109.10164	3.2
115.05453	3.6
117.05757	1.6
118.06512	0.8
119.04932	2.5
120.04477	0.8
130.06529	35.5
131.06866	1.6
132.04459	1.2
132.08083	3.0
142.06528	10.6
143.07269	4.9
144.04460	2.6
145.05235	3.0
146.05978	1.5
147.04417	5.5
149.02370	2.2
158.06075	1.1
158.09669	1.7
159.09195	6.2
160.07578	100.0
161.07913	3.5
170.06023	18.2
173.11772	1.3
174.05519	11.1
181.07584	3.0
184.07698	0.9
193.05029	2.4
195.09128	3.1
202.05014	19.0
202.08636	74.9
203.09029	3.9
204.10246	1.8
211.13231	1.6
213.10216	1.8
219.11307	2.7
220.06099	4.1
223.08665	5.4
241.09717	25.8
242.10109	1.2
250.05911	0.9
251.08200	1.1
267.21442	0.8
269.09216	10.2
283.10812	2.2
301.11823	43.6
302.12253	2.8
326.65869	1.0
436.79037	1.0
438.11334	14.9
438.23874	2.8
439.10672	2.2
439.26968	2.7
444.95102	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	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01874	1.6
55.05512	1.7
62.20265	0.9
69.03430	12.8
69.73370	4.0
71.04975	1.4
72.08138	2.8
78.03449	15.7
79.01866	1.3
80.05013	2.8
81.03419	15.6
81.07059	2.2
83.08607	3.0
84.08163	2.7
85.02905	9.3
88.24709	1.3
93.07065	1.4
95.08613	3.6
96.04502	5.2
97.02898	14.0
97.06509	1.3
98.23362	1.1
99.04479	2.9
105.07018	1.6
106.02921	48.8
107.03271	1.2
107.08612	5.7
109.02879	11.1
109.06502	1.5
111.04448	2.2
112.11232	3.3
119.04931	1.2
119.08489	1.2
121.10151	3.3
123.08092	1.6
124.03959	100.0
125.04313	2.8
125.09615	3.8
126.05511	3.5
127.03897	7.8
129.13864	1.5
135.11688	2.4
137.09639	1.3
139.03905	2.7
139.11162	1.6
143.03383	2.2
145.10155	2.0
147.04434	4.8
147.08000	1.3
147.51596	1.1
149.97638	1.0
153.01830	30.2
153.12766	1.7
154.05031	4.5
163.11191	1.8
165.09106	4.0
166.05017	2.7
169.04958	1.9
171.06572	2.1
181.04991	1.2
181.12271	9.9
203.11809	2.9
204.10245	2.6
205.12274	2.0
223.13289	52.1
224.13622	2.6
232.05972	1.3
241.14357	2.5
250.07103	18.2
251.07513	1.5
259.02420	1.3
268.08160	61.9
269.08447	3.9
274.18958	1.8
277.03391	4.4
280.08105	1.3
305.22098	1.0
317.08377	4.2
364.87900	1.2
397.15274	1.1
420.09308	3.0
438.10019	6.2
438.23862	9.7
439.12027	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	438.2388
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
51.15303	0.3
58.06582	0.9
65.03931	1.0
69.04405	2.0
72.08157	8.8
74.00668	3.6
74.17082	0.3
75.09241	0.7
81.07068	0.3
84.04514	1.7
84.08130	1.1
85.04046	0.5
87.93687	0.2
91.05487	8.0
92.83954	0.3
98.09693	0.4
100.02198	1.5
104.60043	0.2
107.99397	0.8
109.64628	0.3
112.11252	3.8
112.20235	0.3
113.03501	0.3
118.99854	1.2
119.04944	22.5
120.05264	0.7
124.11213	0.3
129.13895	2.7
130.05011	1.8
146.16507	1.6
147.04410	100.0
147.57753	0.3
148.04756	2.5
155.11790	1.0
177.03311	1.3
180.18813	0.3
203.04837	1.2
203.11827	0.8
204.10207	41.7
205.10577	1.4
206.06729	1.1
211.02139	0.4
218.11775	3.7
221.12843	0.9
231.04234	0.3
274.19281	0.7
275.14856	0.4
275.17590	4.0
291.08313	3.5
292.20184	10.5
293.20621	0.5
294.90402	0.3
318.18045	0.4
363.10367	1.2
379.05112	0.3
383.65283	0.3
420.22723	0.8
421.21252	0.7
438.23886	50.9
439.15662	1.0
439.24271	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	438.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06078	0.3
55.01866	0.5
58.06581	0.7
58.69076	0.3
65.03941	0.8
69.07059	0.7
69.97237	1.1
72.08159	7.8
74.00673	4.8
75.09238	0.7
75.86259	0.3
84.04499	1.4
84.08139	0.7
85.04027	0.6
91.05482	8.0
100.02217	1.5
107.99394	0.6
108.74478	0.4
112.11256	3.4
118.99894	2.1
119.04948	21.5
120.05250	0.6
129.13905	2.4
130.05005	1.9
131.04492	0.4
135.87979	0.3
146.16542	1.5
147.04413	100.0
148.04756	2.9
155.11855	1.2
163.02377	0.4
172.14503	0.8
177.03285	1.8
203.04874	1.5
203.11827	1.0
204.10208	39.8
205.10606	1.5
206.06731	0.9
211.01993	0.6
218.11777	5.6
221.12811	0.8
274.19125	0.7
275.17575	3.9
291.08362	4.3
292.08676	0.5
292.20203	13.2
293.20422	0.6
318.18198	0.5
363.10535	0.9
420.22629	0.7
421.21411	1.3
438.23904	54.9
439.24228	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	438.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09969	0.3
51.34720	0.3
55.01875	0.6
56.05031	0.4
58.06583	0.6
58.95724	0.3
65.03918	0.5
69.07063	0.6
69.10665	2.2
72.08158	8.1
74.00666	9.6
75.09238	0.6
76.04002	0.3
81.07009	0.4
83.06108	0.3
84.04047	0.3
84.04501	3.2
84.08130	1.1
85.01119	0.9
85.04028	1.5
91.05480	7.1
92.01702	0.4
94.92313	0.3
97.06497	0.3
98.09670	0.4
100.02203	4.3
102.05500	0.4
107.99390	1.5
112.03957	0.7
112.11246	3.3
113.03469	0.4
116.98306	0.3
118.99862	3.4
119.04945	21.8
120.05252	0.5
124.11230	0.7
129.13901	2.3
130.05013	4.0
131.04480	1.0
137.12894	0.3
145.01448	0.3
146.16563	1.4
147.04407	100.0
148.04756	2.8
155.08131	0.4
155.11827	0.7
163.02545	0.3
175.52953	0.3
177.03271	3.3
185.03880	0.3
188.05629	0.6
193.99483	0.5
196.90799	0.3
203.04831	3.3
203.11807	1.1
204.10202	38.9
205.10524	1.3
206.06708	2.6
211.02013	1.2
217.44678	0.3
218.11765	4.3
221.10730	0.3
221.12871	0.8
223.94072	0.3
231.04439	0.3
232.78641	0.3
274.19089	0.6
275.17508	3.6
291.08307	10.8
292.08527	0.6
292.16916	0.6
292.20181	10.9
293.20483	0.4
309.09296	0.4
318.18201	0.5
345.09329	0.4
363.10226	1.7
364.74866	0.3
420.22446	0.4
421.21063	0.7
438.23886	48.0
439.24127	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	438.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07011	1.5
55.05513	2.1
60.05324	1.4
62.25759	1.6
67.05503	9.6
69.63531	1.5
71.23787	2.0
72.08145	3.7
79.05501	3.0
81.07045	2.6
83.08599	1.9
91.05498	11.3
93.07060	2.9
95.04972	3.1
107.04909	8.2
108.05733	1.8
109.10168	4.3
112.32162	1.4
119.04946	7.0
121.06535	3.3
123.08153	1.9
129.32800	1.7
135.04425	2.2
136.05205	4.1
137.06007	2.3
147.03333	1.2
147.04420	35.9
147.08061	1.5
148.05151	5.9
151.07549	100.0
152.07985	2.4
161.06027	3.5
163.07582	4.6
165.09109	2.9
166.06261	9.4
167.06993	1.6
173.05975	1.8
173.09610	2.3
175.07616	1.9
176.08360	3.0
177.09068	8.9
179.10655	1.6
181.08601	56.6
182.09042	1.6
188.08389	2.0
189.09166	1.9
190.09970	1.9
191.10696	5.4
195.10280	1.9
202.09909	2.2
203.05392	1.8
203.10669	3.0
204.10193	17.1
207.10196	2.7
210.15559	1.4
211.13237	1.6
216.11409	1.9
217.12201	5.3
221.11749	3.7
233.11716	1.9
247.13402	1.9
292.20331	3.7
339.15814	1.8
353.17572	2.6
354.18137	2.4
370.17795	10.7
385.20114	21.6
386.20425	2.3
391.95596	1.7
403.21146	4.7
438.15619	1.5
438.23679	21.1
439.22733	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.9
57.07078	75.7
67.05513	3.1
68.28693	1.8
69.07063	10.4
71.08634	66.0
71.28336	2.5
73.06577	1.9
83.08623	2.7
85.10185	37.0
85.71824	1.6
87.04461	2.0
89.06033	100.0
91.05514	1.8
97.10161	2.9
97.15958	1.6
99.11767	6.3
107.07065	2.8
111.11700	2.7
113.13316	4.9
125.13296	2.2
127.14825	4.0
127.45829	1.7
133.08606	59.8
147.04474	2.0
147.06235	1.8
151.09673	4.8
177.11218	13.1
195.12325	4.1
202.06517	2.0
239.14894	43.2
271.26334	3.6
315.28955	2.2
406.87634	2.3
421.35266	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	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
61.02906	0.3
69.03420	0.8
72.08161	0.3
81.03403	0.4
82.45870	0.2
85.02920	1.2
90.79075	0.2
91.05476	0.5
97.02878	0.6
98.23476	0.6
103.05456	2.7
106.02934	0.6
109.02869	0.3
111.47050	0.2
119.04920	0.5
119.11474	0.3
124.03948	2.0
125.04285	1.0
127.03911	0.5
127.06298	0.2
129.03328	0.3
131.04936	2.6
136.44789	0.3
143.03418	0.3
146.06049	0.4
147.04405	1.9
153.01830	2.2
154.02190	1.4
157.02888	0.6
158.71782	0.3
159.04414	0.9
166.04921	0.3
175.03941	1.7
185.02332	0.6
187.03908	18.9
188.04228	0.9
203.03360	3.4
204.10214	0.7
213.01822	1.7
215.03392	17.8
216.03827	0.8
230.02090	1.7
231.02896	13.2
232.03304	0.7
233.04369	0.4
241.01347	1.1
259.02393	21.2
260.02786	1.1
277.03433	100.0
278.03763	4.9
330.40930	0.3
438.24084	0.4
439.24280	0.7
446.78220	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	439.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
57.88304	0.2
69.03421	0.6
79.01794	0.3
81.03392	0.4
85.02914	2.3
91.05486	0.4
95.04966	2.4
97.02900	0.4
98.23510	0.4
103.05470	3.6
105.03348	0.3
105.04512	0.3
109.02843	0.5
113.03859	0.3
117.03392	0.3
119.04959	0.5
121.06493	0.3
123.04436	2.4
127.03891	0.4
131.04933	2.7
140.04691	0.7
147.04449	1.4
151.03893	0.9
153.01768	0.3
155.07001	1.1
157.02908	0.4
159.04410	1.3
163.03941	0.4
167.07040	0.7
171.62352	0.3
173.39777	0.2
175.03889	2.2
177.05551	0.3
183.06519	2.7
185.02412	0.6
187.03909	21.6
188.04230	0.8
202.02614	0.6
203.03387	4.3
204.03793	0.3
213.01868	1.6
215.03394	22.4
216.03687	1.2
225.07600	0.3
230.02071	2.4
231.02895	16.4
232.03252	0.8
233.04407	0.3
241.01379	1.3
249.03984	0.3
259.02393	25.0
260.02762	1.1
277.03433	100.0
278.03723	5.0
287.05566	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	439.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96306	3.2
56.96571	51.8
62.61133	2.1
62.62910	1.9
62.70391	1.9
66.99971	1.7
69.28052	13.1
74.97620	1.9
101.95049	1.9
116.74296	2.0
119.04946	3.0
120.04459	3.4
123.04404	2.1
137.16022	1.9
137.98640	20.0
147.04431	5.4
151.03947	3.3
153.01860	22.4
155.99692	80.5
157.92809	2.1
174.00761	66.6
174.02249	3.9
192.01826	7.4
194.76500	1.8
197.02203	2.5
212.02377	6.3
222.00650	2.5
222.04446	4.3
222.73204	2.0
227.05479	9.3
230.03427	5.5
231.04512	2.2
232.02882	3.0
240.01682	2.3
240.05760	2.4
249.05449	4.2
250.03905	2.7
258.00534	2.8
274.03879	23.7
275.03625	5.5
276.01785	24.1
276.04831	2.6
292.04944	10.9
293.04349	2.5
294.02841	19.0
302.03360	6.7
320.04465	34.1
338.05515	2.8
351.10294	3.5
369.11096	3.1
395.08911	2.4
439.08688	100.0
439.23456	19.0
440.09085	6.8
454.00293	2.1
457.08887	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	439.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47728	1.2
56.96570	66.6
58.43861	1.0
65.96640	1.1
70.06681	2.8
70.55890	1.0
72.08151	2.2
83.04999	1.1
91.05488	2.1
101.94942	1.0
119.04973	4.2
120.04494	4.3
123.04417	2.2
128.00264	1.4
128.98625	2.5
136.07599	2.0
137.98634	27.7
147.04405	13.1
147.05318	1.2
148.04730	6.8
149.26407	1.0
155.99693	100.0
157.00125	1.8
164.43149	1.0
164.95406	1.0
174.00769	95.1
175.01042	1.6
179.01370	1.7
185.84544	1.0
186.02327	1.0
192.01830	12.0
192.03386	2.4
193.01942	1.5
194.01335	1.3
196.02841	1.2
197.02385	3.4
200.55844	0.9
202.01855	1.1
203.99852	2.2
204.03329	4.9
204.10236	3.2
205.01770	1.8
205.10606	3.6
210.04416	2.4
211.02705	1.1
212.02306	9.3
220.02908	1.6
222.00789	5.5
222.04347	5.9
223.02853	1.9
230.03374	7.4
231.04445	4.1
232.02823	4.7
238.03880	1.4
240.01866	1.7
240.05482	2.4
243.04834	2.1
245.06015	3.0
248.02289	1.7
249.05511	5.4
250.03946	2.6
257.02200	1.4
263.07053	2.1
266.03409	1.4
274.03906	34.5
275.03485	6.9
276.01813	30.3
276.05063	2.3
277.02075	1.3
287.03738	13.3
287.06747	1.5
289.05096	3.0
292.04938	16.1
292.20129	1.4
293.04477	5.5
293.20782	1.2
294.02872	34.3
294.06088	2.0
295.03354	1.4
299.03397	1.7
302.03387	11.1
315.06497	2.2
320.04443	45.4
321.04959	3.0
338.05508	3.6
343.05972	2.1
351.10297	2.1
353.16327	1.2
358.06259	1.8
369.11374	3.4
395.09189	3.8
395.16931	3.5
439.08246	76.7
439.15662	20.4
439.24155	8.6
440.08582	7.2
440.15170	1.3
457.09460	7.2
458.08972	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	439.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37348	0.3
56.64907	0.3
69.03423	0.5
69.04324	0.6
69.04722	2.3
72.93102	0.3
84.01827	0.3
91.05467	0.4
107.04922	0.8
113.02127	0.4
114.33600	0.3
117.10770	0.3
123.04456	0.6
139.03979	0.7
147.04416	2.6
148.04753	1.4
160.51352	0.3
185.04240	0.6
201.03700	0.7
204.10129	0.8
205.10422	0.6
219.58008	0.4
259.16751	0.6
261.18396	1.2
277.16104	0.7
327.14169	0.5
329.96579	0.3
344.52121	0.4
369.18912	1.4
396.54663	0.4
439.23071	100.0
440.16467	0.6
440.23343	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	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
71.33318	0.5
86.49805	0.4
110.44193	0.4
120.03230	0.4
147.04448	0.8
148.04787	0.6
201.03711	2.5
203.05313	1.0
239.16949	0.3
259.16748	3.5
261.18265	14.2
262.18610	1.0
265.18558	0.5
277.17801	1.1
284.19495	0.4
432.78229	0.4
439.23047	100.0
440.23419	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	439.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08327	0.4
55.05508	0.6
57.03434	1.0
61.02953	0.4
62.22881	0.4
62.76336	0.3
69.03430	1.6
69.07078	2.6
69.13853	0.8
69.14258	2.6
70.33905	0.4
70.49323	0.3
73.02920	2.8
81.03412	0.4
85.02910	2.8
96.01887	0.6
97.02851	1.2
100.47543	0.4
109.02905	0.6
111.11755	0.9
113.02184	0.5
115.03953	1.4
127.03884	1.3
141.05287	0.7
145.05000	0.5
147.04445	0.5
157.04779	0.4
163.06039	0.6
169.04820	0.5
197.58087	0.3
203.05244	3.2
259.16727	3.0
277.17764	2.4
282.98901	0.4
369.18839	6.1
370.19296	0.7
439.23044	100.0
440.23434	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	439.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26765	0.3
59.43231	0.3
65.89961	0.3
69.06070	2.4
69.07072	0.5
72.08154	0.7
91.05474	0.7
98.09673	0.4
100.07626	0.6
100.11262	0.9
111.04440	0.5
112.11254	0.4
119.04964	1.9
120.05264	0.5
129.13916	0.4
133.10156	0.6
147.04414	7.8
148.04752	3.9
168.13901	0.8
170.15352	0.5
182.15437	0.9
191.14278	0.3
196.13338	0.5
201.03705	1.7
203.05254	2.0
204.10196	2.3
205.10583	2.1
210.14977	0.9
228.16113	0.3
239.18634	0.3
259.16830	1.5
261.18250	2.4
275.17331	0.3
276.17722	0.3
277.17789	1.0
292.20255	0.3
293.20490	0.9
337.21494	0.3
343.89050	0.4
369.18933	0.7
392.09610	0.4
413.02795	0.3
421.22092	0.3
422.30157	0.8
439.23123	100.0
440.23508	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	439.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42346	0.3
65.41381	0.3
69.37356	0.7
69.37760	1.1
83.01059	0.3
95.01105	0.6
96.01900	0.5
98.22660	0.4
113.02136	0.8
120.91743	0.3
125.02102	0.6
127.03692	0.4
141.05238	0.6
147.04425	0.6
157.04729	0.7
158.05603	0.4
169.04721	1.4
186.05023	0.9
203.05270	2.0
203.74104	0.3
259.16696	2.2
261.18399	0.5
273.09628	0.4
277.17764	2.7
369.18863	8.3
370.19202	0.5
374.65094	0.3
378.86542	0.3
385.03751	0.4
439.23059	100.0
440.23346	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01870	2.3
55.05514	12.4
57.03448	5.4
57.07077	1.0
58.63671	1.0
59.05003	5.4
65.02908	0.9
65.03952	2.9
67.05509	100.0
68.05850	2.0
69.03419	2.9
69.07065	4.2
70.84580	2.4
71.05000	3.5
76.73293	1.0
79.05492	13.5
81.03425	28.3
81.07066	25.0
83.04972	6.0
83.08628	17.4
85.02914	16.1
85.06567	3.3
91.05487	20.1
93.07053	12.5
95.04977	13.0
95.08605	8.7
97.02885	1.2
97.06522	2.4
97.10194	2.8
105.07030	10.7
107.04983	2.5
107.07973	1.3
107.08593	6.0
109.06536	4.4
109.10163	66.1
110.10497	2.3
111.04478	1.9
111.08087	9.3
113.06044	2.0
114.67542	1.1
117.07037	1.8
119.08568	12.2
121.10174	4.5
125.09609	1.3
125.58860	1.0
129.07024	4.1
131.08540	5.1
133.06593	1.2
133.10155	3.2
136.54285	1.0
137.09656	3.8
147.04427	1.4
147.11707	8.0
149.09671	2.6
155.10738	3.7
157.10147	6.2
165.12814	2.6
173.11755	18.9
175.11191	6.2
193.12241	31.3
194.12627	2.7
211.13315	36.0
212.13727	2.3
229.14395	2.2
261.27887	1.1
267.15866	1.5
318.72229	1.0
377.32050	1.2
421.26242	1.2
439.27069	44.6
440.27316	4.6
461.03012	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	439.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82044	1.9
53.03942	2.7
55.01867	2.5
55.05512	10.7
56.05018	6.1
57.03443	15.1
58.33333	1.6
59.04988	4.0
67.05506	28.8
69.03440	2.1
69.07057	3.1
71.04983	2.6
71.29056	2.8
71.29451	2.1
77.59273	1.9
79.05491	18.7
81.03415	5.1
81.07047	18.9
83.05001	2.6
83.06101	34.3
83.08624	7.0
84.04503	100.0
85.02914	4.3
85.06551	3.3
91.05492	11.4
93.07058	15.5
95.04972	7.4
95.08605	7.4
97.10162	4.5
99.08094	5.0
101.07137	16.0
102.05555	15.7
105.07019	12.7
105.14710	2.0
107.04951	2.6
107.08592	15.0
109.06480	2.7
109.10155	16.0
111.08105	5.5
117.07048	2.0
119.08581	8.6
121.10162	8.7
125.09653	7.7
129.06595	65.4
130.05003	74.7
130.58182	1.7
131.08569	6.9
133.06544	1.9
133.10089	4.3
135.08105	2.6
135.11719	4.9
145.10136	6.3
147.04453	5.9
147.07639	45.5
147.11647	4.1
148.04730	3.7
148.07950	2.5
148.62141	1.9
149.09627	12.9
153.09085	2.5
155.08545	1.9
159.11725	5.5
167.10719	3.8
169.10167	3.3
169.12247	2.2
173.11784	2.4
173.13234	3.0
175.14980	2.2
185.13290	3.9
189.11211	1.8
193.12292	5.9
201.16444	4.5
203.05270	17.2
203.14378	3.2
204.10263	2.8
211.13313	3.8
219.17480	7.2
221.15402	1.9
224.81787	2.3
239.17894	2.3
245.06242	2.7
257.18976	11.7
273.11829	1.9
275.20074	52.1
276.20486	2.7
277.17850	6.0
293.21057	34.9
294.21463	2.3
310.23740	16.6
394.26041	7.4
417.40427	2.0
422.25449	3.3
439.22998	97.4
440.23596	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	440.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10492	0.8
53.03924	1.7
56.25911	0.8
61.13639	0.8
69.08688	6.5
70.06599	1.1
71.08635	1.5
75.01622	0.8
84.04477	1.0
88.11265	7.7
91.05478	5.8
93.07058	6.3
94.55759	0.8
95.04974	4.4
97.59684	0.9
98.23365	1.8
103.05494	3.9
119.04881	1.1
121.06506	100.0
122.06860	4.2
123.04430	15.5
128.25993	0.8
137.11009	0.8
138.09142	21.9
147.04369	2.3
153.01863	1.0
158.59691	0.8
165.05469	7.4
167.19695	0.7
205.04773	0.8
406.48438	0.8
426.78607	0.8
437.73001	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	440.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
59.18542	0.9
60.16359	1.0
63.45096	1.1
64.39198	1.1
67.16119	1.0
69.13341	7.5
69.13745	1.7
76.80801	1.1
81.03402	1.4
82.02976	1.7
90.80108	1.1
94.06593	1.6
98.06065	1.1
100.03985	1.5
101.02390	4.8
103.05396	1.3
120.12330	1.0
121.06509	1.0
123.04474	3.0
126.05532	2.6
130.06532	100.0
131.06845	3.2
132.04453	37.0
133.04857	1.1
137.05945	1.4
139.03941	1.3
144.06624	3.4
146.06017	8.9
153.01820	7.4
157.06317	2.0
157.07619	49.6
158.06010	84.3
159.06386	2.5
160.07663	1.3
168.06734	1.3
169.07585	2.0
174.05482	17.8
175.08675	49.1
176.08978	1.8
179.03357	1.2
185.07124	13.1
186.05519	6.7
197.07085	14.0
202.04997	26.9
203.05380	2.2
203.08199	6.9
204.06491	1.1
211.08682	4.7
220.06093	6.5
221.07333	1.2
221.09172	5.9
223.08601	2.5
239.08151	21.7
241.09700	5.9
257.09219	16.4
261.11639	1.3
267.07727	3.0
271.05936	2.6
273.07645	1.8
275.10162	6.5
281.11264	1.1
285.08698	18.6
303.06329	2.0
303.09747	39.6
304.10098	2.9
386.82086	1.1
440.23462	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	440.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01873	9.2
55.05510	7.0
55.80766	2.8
57.03439	2.4
60.04536	4.1
64.38485	2.8
66.56786	3.0
67.05491	3.3
69.03423	6.8
69.07074	3.1
70.06597	4.7
71.17978	5.7
72.04523	4.7
77.20998	2.8
79.01883	3.4
81.03422	7.0
81.07044	5.0
83.08618	9.4
84.04508	9.4
85.02882	6.1
85.45717	2.9
86.09726	9.1
90.77504	2.8
91.05460	15.3
92.05795	3.2
97.02901	9.4
100.11253	22.3
101.11626	3.1
109.02884	4.9
115.03909	3.4
119.04956	10.0
120.05267	6.0
121.06487	3.7
127.03880	6.8
139.03174	2.6
142.12268	13.4
143.03365	2.9
147.04419	31.1
148.04778	25.4
149.04993	4.5
153.01839	100.0
153.02908	5.7
154.02156	4.5
154.12289	11.7
171.02939	11.6
182.15427	3.1
193.19971	2.8
204.10202	12.6
205.10593	12.7
206.10814	4.9
208.06119	5.1
210.14935	8.4
213.12727	3.4
269.18573	10.6
281.18607	6.6
297.06097	8.7
315.07104	13.6
439.24249	5.0
439.32684	12.5
440.15543	6.4
440.24426	32.6
440.33261	8.6
441.20926	10.7
441.34134	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	440.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01873	9.2
55.05510	7.0
55.80766	2.8
57.03439	2.4
60.04536	4.1
64.38485	2.8
66.56786	3.0
67.05491	3.3
69.03423	6.8
69.07074	3.1
70.06597	4.7
71.17978	5.7
72.04523	4.7
77.20998	2.8
79.01883	3.4
81.03422	7.0
81.07044	5.0
83.08618	9.4
84.04508	9.4
85.02882	6.1
85.45717	2.9
86.09726	9.1
90.77504	2.8
91.05460	15.3
92.05795	3.2
97.02901	9.4
100.11253	22.3
101.11626	3.1
109.02884	4.9
115.03909	3.4
119.04956	10.0
120.05267	6.0
121.06487	3.7
127.03880	6.8
139.03174	2.6
142.12268	13.4
143.03365	2.9
147.04419	31.1
148.04778	25.4
149.04993	4.5
153.01839	100.0
153.02908	5.7
154.02156	4.5
154.12289	11.7
171.02939	11.6
182.15427	3.1
193.19971	2.8
204.10202	12.6
205.10593	12.7
206.10814	4.9
208.06119	5.1
210.14935	8.4
213.12727	3.4
269.18573	10.6
281.18607	6.6
297.06097	8.7
315.07104	13.6
439.24249	5.0
439.32684	12.5
440.15543	6.4
440.24426	32.6
440.33261	8.6
441.20926	10.7
441.34134	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	440.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67025	1.7
60.10346	1.6
60.76107	1.5
69.98219	5.5
70.06609	1.8
70.18725	1.4
84.04547	1.4
87.66303	1.4
88.11276	2.5
91.05493	4.5
93.07063	4.8
95.05514	1.5
98.06319	1.5
101.00822	1.6
103.05495	4.1
109.77706	1.5
110.07191	1.8
120.08116	3.0
121.06511	100.0
122.06847	3.5
138.09151	24.5
139.09538	1.6
153.01840	11.0
160.93471	1.5
179.03474	2.9
279.00919	1.7
292.26669	1.8
306.37512	1.9
359.62436	1.5
414.90860	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42928	3.0
53.64514	2.5
55.05494	4.4
57.03436	22.1
61.02913	8.5
69.03431	33.7
69.07070	31.8
73.02920	42.3
81.03413	5.7
81.07073	3.0
85.02908	77.3
85.03431	4.2
86.09707	6.1
87.04486	5.8
97.02898	43.4
99.04447	3.2
109.02912	4.9
111.11723	20.7
115.03940	30.4
119.04847	3.1
125.00024	3.8
126.96636	3.3
127.03918	19.7
129.12752	8.6
133.04961	12.5
145.04956	24.6
147.04414	7.4
148.04723	7.7
150.05116	2.6
153.01830	5.5
163.06032	12.5
182.15445	3.7
184.07367	11.6
201.03758	6.0
201.33302	3.2
203.05244	10.6
205.10518	4.1
210.14862	3.0
241.07269	5.2
250.39606	2.8
263.19958	4.7
355.17285	5.6
390.74103	3.6
397.18243	13.5
440.23404	100.0
441.17355	35.5
441.24478	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06791	2.4
55.01876	7.7
55.05514	16.7
57.03446	20.9
61.02928	10.4
67.05501	4.5
68.44269	2.8
69.03429	23.4
69.07073	100.0
70.25793	2.7
70.57420	5.5
71.01353	2.7
73.02924	21.6
73.99657	2.6
81.03415	8.1
81.07080	4.2
85.02914	96.6
87.04473	3.1
93.07108	2.7
97.02894	38.6
99.04446	3.3
103.03924	3.6
103.58784	2.8
109.02884	9.3
111.11724	43.5
112.98991	2.6
115.03978	15.5
115.04631	2.8
127.03902	24.6
132.06583	3.8
133.04976	19.9
145.04958	37.5
150.07690	3.5
163.06033	22.5
169.14691	2.5
187.68057	2.9
255.15901	3.3
262.18588	3.5
363.84006	3.1
379.82578	2.6
381.38507	3.4
385.76450	2.9
440.23352	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.0
57.07084	22.6
59.04992	3.7
61.33948	2.6
62.06093	23.7
67.05508	6.2
69.07088	4.9
71.08642	14.1
71.30717	3.4
81.07064	7.7
85.10199	8.0
95.08607	10.8
98.98471	5.1
109.10167	4.8
155.01117	7.7
223.96265	2.5
268.26392	12.7
278.72797	2.9
299.25818	100.0
300.26169	9.8
379.22437	4.8
440.37128	4.4
451.87366	2.8
457.39389	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	440.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.06798	1.6
57.07080	30.0
59.05001	1.0
65.31084	1.0
67.05499	1.0
69.07066	1.2
70.64784	0.9
71.08636	26.1
73.06551	5.6
81.07050	1.9
83.08622	3.2
85.10190	26.8
87.04469	2.5
89.06036	100.0
90.06380	1.6
91.07603	1.0
93.07008	1.2
95.04945	1.3
95.08580	1.9
97.10120	1.7
99.11745	4.0
105.07058	1.4
107.07053	3.8
117.09104	2.6
117.09882	0.9
130.08649	1.2
133.08607	45.0
134.08925	1.1
140.97440	1.1
141.16333	2.7
151.09721	1.9
177.11240	16.5
185.19115	4.3
221.13806	1.5
229.21635	7.9
239.14920	2.8
273.24252	3.3
283.17517	11.2
379.30640	1.2
423.33224	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	441.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21598	1.4
55.05502	2.9
57.03413	2.7
57.07068	5.0
58.02954	3.5
60.87924	1.6
68.77497	1.7
68.99773	7.0
69.08889	13.6
74.09721	2.2
79.01857	5.7
85.06526	1.9
89.03941	2.4
91.05446	1.6
93.03409	3.2
98.22594	2.8
100.07655	1.9
100.11252	7.7
107.42101	1.8
109.02856	1.5
111.00792	2.5
111.04442	9.1
114.09187	10.6
117.03374	3.3
123.04436	2.0
125.02384	2.9
127.03947	4.3
135.04405	5.2
137.02365	3.9
139.00308	2.7
139.03922	16.9
142.08659	7.4
143.03387	5.8
143.04919	2.8
145.02838	16.1
145.06448	1.9
149.06023	2.7
151.03954	1.9
153.01833	69.0
153.02913	4.7
154.02176	2.3
155.03201	7.1
155.04926	5.9
156.13843	13.0
161.02351	2.1
163.03949	8.9
172.05168	1.8
173.06030	3.4
177.05478	38.0
179.03400	19.2
181.04974	4.7
181.41689	1.6
182.15443	5.2
183.04440	6.9
184.13373	6.0
185.06000	1.8
200.04663	2.7
201.05440	17.3
203.07001	1.8
209.16553	1.8
210.14989	6.5
211.03935	4.9
215.06960	5.1
225.05518	2.7
228.04329	2.6
229.05106	3.6
233.08028	3.4
241.19347	2.3
243.06415	4.4
258.21796	5.0
261.07596	92.4
262.07919	5.9
271.06000	22.3
279.07623	4.1
287.05582	4.2
287.09012	3.2
289.07184	2.5
300.26523	4.7
308.02972	6.4
309.03665	42.4
310.04086	2.4
312.35434	1.9
312.83905	1.6
313.07047	7.3
331.04599	3.7
337.21262	2.2
368.25497	3.7
376.08524	1.4
381.09854	2.4
410.30139	3.6
423.10696	3.1
423.33392	2.5
436.19308	1.5
440.23456	4.3
441.07953	100.0
441.24210	5.2
441.34302	15.9
442.08353	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	441.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
62.45185	0.6
68.99789	2.5
69.28030	2.8
69.28430	1.3
70.06601	11.8
72.08151	0.7
74.50266	0.7
79.01855	6.5
86.09695	5.2
91.05481	0.7
95.04965	0.7
97.02913	1.5
100.72421	0.6
107.01299	1.5
111.00791	0.8
119.04931	0.7
120.05280	1.1
120.08118	1.2
123.04415	1.9
125.02338	3.2
127.03947	4.9
128.10703	0.7
130.08681	1.1
131.04868	1.0
135.04414	2.8
140.08185	1.4
141.07005	1.0
143.03400	7.4
147.04417	4.5
148.04732	4.0
149.04984	1.6
153.01839	100.0
153.02928	6.6
154.02191	2.6
155.04840	0.8
157.06480	0.8
163.03857	3.8
169.06493	0.9
172.10873	1.3
173.05997	2.4
179.03403	26.5
180.03799	1.6
183.04472	0.8
197.05948	1.2
201.05536	3.6
203.07021	1.7
204.10199	1.3
205.05319	0.7
205.10672	1.1
206.10739	1.4
213.05446	1.4
215.06955	0.8
225.05493	2.0
229.04994	5.1
241.04945	0.9
243.06621	0.8
253.04906	1.8
269.16180	2.9
271.06018	29.1
272.06299	1.2
280.25342	0.7
287.05493	5.0
289.07120	2.1
300.73938	0.8
315.05054	1.5
331.04471	6.6
440.24371	4.1
441.28842	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	441.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
52.53119	0.5
55.01870	0.7
68.99799	4.0
69.03434	0.9
70.06591	1.7
70.45897	1.2
70.46280	0.7
79.01853	7.3
86.09700	1.3
97.02925	1.8
101.96548	0.6
107.01315	1.7
111.00785	0.8
123.04428	2.7
125.02341	3.5
127.03927	4.9
135.04424	2.6
139.03929	1.4
143.03400	8.6
150.07741	0.8
153.01833	100.0
153.02925	7.2
154.02136	2.7
154.05005	3.1
155.04877	0.8
157.06470	1.0
163.03893	5.1
173.06003	2.2
179.03404	26.1
180.03796	0.8
183.04385	0.8
185.05972	1.0
187.03883	1.1
197.06009	2.2
197.07678	0.6
201.05466	3.2
203.07060	2.3
211.03912	0.6
213.05452	1.0
224.70360	0.6
225.05533	2.0
229.04939	3.6
241.04932	1.7
243.06375	1.0
247.06071	0.6
253.04936	1.5
259.05624	0.6
263.05588	0.7
271.06018	28.2
272.06302	1.4
287.05499	4.7
289.06909	2.7
303.01410	0.8
315.04947	2.2
331.04474	5.3
387.92355	0.7
423.05728	0.9
441.20877	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	441.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
55.01878	0.6
68.99794	2.6
72.02222	0.4
79.01857	6.2
94.09386	0.4
97.02897	0.7
107.01324	1.1
109.53797	0.5
111.00812	1.0
123.04437	1.5
125.02361	2.6
127.03937	4.4
135.04388	2.5
136.97467	0.4
137.94507	0.5
139.03798	0.4
141.07022	0.9
143.03381	7.6
143.04448	0.5
151.03922	0.8
153.01826	100.0
153.02892	5.6
154.02142	2.5
155.04889	0.6
159.04500	0.6
163.03882	3.8
164.45107	0.4
173.05974	2.5
179.03394	25.1
180.03699	0.9
183.04346	0.8
185.05963	1.2
197.05972	1.3
201.05496	2.6
203.07005	1.4
213.05464	1.3
225.05528	1.7
229.04958	3.8
230.05310	0.5
237.59161	0.4
241.04868	1.0
253.04930	1.1
271.06009	28.6
272.06387	1.8
287.05518	5.4
289.07016	2.5
315.04913	1.2
331.04462	6.3
332.04816	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	441.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
55.01872	1.0
59.11132	0.6
59.14682	0.6
64.90044	0.6
66.14777	0.5
67.05496	0.8
68.99799	3.7
69.03437	0.7
70.06600	1.1
71.29349	0.6
72.08154	1.0
79.01862	6.2
81.64616	0.6
85.02887	0.8
86.09714	2.0
91.05464	0.8
95.04939	0.7
97.02896	2.1
107.01323	1.4
107.04989	0.6
109.10164	0.7
111.00797	0.7
114.09100	0.7
116.07064	0.8
119.04937	0.9
119.08648	0.6
123.04435	2.8
125.02364	3.6
127.03923	5.5
135.04445	3.5
135.08034	0.8
139.03891	1.1
143.03412	8.0
146.06044	1.2
147.04366	3.3
148.04761	2.5
149.04973	1.4
151.03920	1.9
153.01836	100.0
153.02917	6.3
154.02193	2.7
157.06557	1.2
159.04390	1.0
163.03885	3.9
165.01907	0.7
169.06490	0.9
173.06015	3.3
179.03400	26.2
180.03734	1.0
183.04469	0.9
187.03886	1.2
197.05975	1.0
201.05473	2.8
203.07030	2.4
204.10130	0.9
205.10602	0.8
206.10857	1.0
213.05441	1.3
225.05504	1.3
229.04996	4.0
241.04851	1.6
243.06569	0.8
253.05089	1.4
271.06021	28.7
272.06339	1.7
287.05609	6.1
289.07111	2.4
315.05038	1.8
331.04407	5.3
365.47906	0.8
440.24200	2.2
441.08502	0.8
441.13608	1.8
441.21014	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	441.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.7
54.36195	0.7
55.01876	1.0
62.50633	0.7
68.99792	2.1
69.03423	2.2
69.07072	1.7
70.13765	0.6
71.18298	1.0
79.01865	4.7
81.03413	4.3
83.04971	1.5
85.02921	5.0
90.36166	0.7
97.02904	4.6
99.04470	1.3
103.03961	2.0
107.01320	1.4
108.17651	0.9
109.02870	4.6
109.21258	0.8
123.04453	3.6
125.02373	3.5
127.03931	8.0
139.03922	1.8
140.07150	1.4
143.03412	7.5
147.04417	1.9
151.03987	4.1
153.01840	100.0
153.02902	5.2
154.02180	3.1
163.03906	2.1
169.04958	3.4
171.02905	6.1
172.04306	1.0
177.05406	1.0
179.03354	8.3
189.05479	1.5
191.03415	0.9
193.04973	2.2
195.02942	1.1
216.06920	3.4
217.04977	5.1
229.04881	1.2
234.98674	0.8
235.06017	2.1
237.04039	1.0
255.05008	2.7
262.07407	1.8
271.06003	6.7
273.03961	1.3
285.03915	0.9
297.06055	5.6
303.05441	0.8
315.07333	1.5
331.04544	1.7
392.14197	0.8
423.07315	1.2
441.09424	2.3
441.17404	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	441.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99385	0.2
51.02380	0.3
51.98463	0.2
53.03941	0.6
55.01867	1.1
55.05512	0.6
59.63136	0.2
61.15195	0.2
65.03944	1.4
67.01834	0.2
67.05499	0.9
68.99789	1.5
69.03423	0.4
70.06577	0.3
71.01373	0.3
77.03938	0.4
79.01845	1.1
83.04987	1.2
91.58949	0.2
93.03409	0.7
95.04980	0.6
95.08645	0.3
97.02882	0.9
105.03429	0.4
107.01314	0.3
108.02105	0.6
109.02823	0.3
109.85965	0.2
111.00835	0.4
111.04441	5.4
114.09134	0.4
119.08595	0.2
123.04428	18.4
124.04779	0.5
125.02357	0.7
127.03918	1.0
128.10748	0.3
135.04436	0.6
139.03899	100.0
140.04227	2.5
141.05482	0.5
141.06947	0.3
143.03394	0.9
147.04436	1.0
151.03912	26.0
151.05008	2.5
152.04250	0.7
153.01826	13.0
153.02911	0.8
154.02158	0.3
163.03929	1.2
173.05995	0.4
179.03380	3.3
187.03870	0.3
189.05486	0.3
197.06012	0.3
201.05565	0.5
213.05490	0.3
215.06984	0.2
216.09564	0.2
223.88431	0.2
225.05699	0.3
229.04979	0.7
231.13905	0.3
241.27345	0.2
243.06523	0.3
271.06021	3.5
273.07571	3.5
287.05588	0.6
289.07132	0.6
315.04974	0.3
331.04428	0.8
423.17899	0.2
441.20959	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	441.1733
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
60.92594	0.3
63.37650	0.3
70.06596	0.7
71.29431	0.4
79.01857	0.6
83.01090	0.5
84.01869	0.3
86.09711	1.1
95.01095	1.2
96.01880	0.5
97.85172	0.2
107.73656	0.3
111.67064	0.3
112.01324	0.4
113.02150	2.3
123.04437	0.5
127.03927	0.7
135.04460	0.4
139.03845	0.3
143.03394	0.9
153.01842	7.6
157.04750	0.4
163.03964	0.5
167.03177	0.3
168.19141	0.3
179.03386	2.2
185.04245	2.9
201.03743	0.9
201.05486	0.5
203.03386	0.3
203.05275	1.0
204.07637	2.1
229.05013	0.3
247.09419	0.3
259.07822	0.7
271.05939	1.9
272.27744	0.3
279.12061	0.9
289.07080	0.7
331.04623	0.6
333.54553	0.3
363.06793	0.4
441.17340	100.0
442.17673	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	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69320	0.4
52.01017	0.4
55.05516	0.5
67.05481	0.5
70.06573	0.6
71.05001	0.7
71.28796	0.5
81.07056	1.3
86.09718	0.5
91.05494	0.6
93.07030	0.5
100.11248	0.4
105.07013	0.5
153.01848	1.5
158.71037	0.4
165.09123	0.4
177.05547	0.4
184.07347	0.7
185.04256	1.1
193.12067	1.6
227.05298	1.8
245.06783	0.5
271.04062	0.6
289.05435	0.9
301.20145	1.0
352.31302	0.5
355.17310	7.7
363.16962	0.5
379.17331	0.7
397.18335	36.2
398.18686	2.5
441.17300	100.0
441.23492	4.8
442.17554	7.9
442.23450	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
53.83311	0.2
69.44176	1.0
70.06599	0.4
76.27471	0.2
77.54099	0.1
79.01867	0.5
79.05499	0.3
81.03408	0.3
81.07063	0.5
91.05437	0.2
93.07076	0.2
95.08612	0.2
97.02895	0.4
98.97600	0.2
105.07076	0.2
123.04428	0.7
125.02337	0.5
127.03954	0.3
136.07550	0.2
139.03915	0.6
143.03410	0.5
151.03873	1.3
153.01840	7.3
153.02982	0.6
153.64001	0.2
163.03951	0.3
167.03223	0.2
169.04797	0.2
179.03415	1.7
185.04224	0.8
193.12004	1.6
201.05492	0.2
203.05270	0.3
221.11465	0.2
227.05263	1.6
228.01701	0.2
229.05103	0.2
235.13130	0.3
245.06291	0.4
263.19901	0.2
271.06329	1.4
272.06335	0.2
279.12061	0.2
287.05609	0.4
289.05154	0.2
301.20380	0.4
309.03629	0.4
315.05002	0.4
331.04596	0.3
337.16324	0.3
355.17300	7.8
356.17697	0.5
379.17151	0.9
397.18353	34.6
398.18646	2.5
441.17319	100.0
442.17667	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.27369	0.5
52.62497	0.5
52.77577	0.6
60.28860	0.5
70.55148	0.7
70.55486	1.3
72.40887	0.5
73.26889	0.6
75.36066	0.5
78.39357	0.6
80.64993	0.5
98.72131	0.7
134.77895	0.6
154.53035	0.6
168.26547	0.6
201.03722	9.9
203.05313	7.8
209.05356	0.6
225.59224	0.6
234.15038	0.6
261.18246	3.6
263.17474	0.4
263.19855	12.7
264.20181	0.8
424.42819	0.6
441.24619	100.0
442.24963	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	441.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01876	2.2
55.05514	8.1
56.05043	6.7
57.07090	2.4
58.84362	0.9
59.04997	1.1
67.05505	16.7
67.38093	1.0
69.07083	3.0
70.27262	0.9
71.04995	4.1
71.08640	8.1
71.30089	1.2
78.00226	1.1
79.01868	1.5
79.05495	8.1
81.03384	1.3
81.07063	13.1
83.05006	3.1
83.06107	34.4
83.06608	1.6
83.08612	7.0
84.04510	100.0
85.02903	2.4
85.06562	1.9
85.10179	1.1
91.05486	4.5
93.07034	9.1
95.04968	2.8
95.08624	7.0
97.06543	1.9
97.10172	6.6
98.97582	1.6
99.08092	7.8
101.07143	14.9
102.05552	18.7
105.07021	5.5
107.04939	1.1
107.08596	8.2
109.06533	1.8
109.10160	6.8
111.08097	2.5
113.83949	1.4
117.07063	2.1
119.08582	3.7
121.10154	4.0
123.04456	1.6
123.11703	1.9
125.09637	7.0
127.03925	1.3
129.06602	56.9
130.05008	78.9
131.08589	2.0
133.10162	3.2
135.11725	2.9
138.14716	1.0
141.12738	13.3
143.03426	3.1
143.08661	1.1
145.06467	3.1
145.10149	2.7
147.07651	45.9
147.11693	2.8
149.09647	1.1
149.13338	1.4
151.11256	1.3
153.01836	28.2
153.02930	2.1
153.09142	1.7
153.12805	1.4
157.10095	1.3
159.08093	1.0
161.13269	3.8
163.03932	1.2
163.11253	3.2
165.12753	2.3
169.06448	1.3
169.12248	3.9
170.11783	6.1
177.12868	1.4
179.03418	7.0
179.14357	1.3
188.13171	1.1
189.11250	4.6
203.05313	3.0
221.15358	1.1
229.05081	1.3
231.21106	1.8
235.78932	1.1
241.19644	1.9
259.20633	4.3
261.18350	4.2
271.05957	7.1
273.14911	1.9
277.21628	36.0
277.24582	1.9
278.22043	2.5
281.15012	5.1
287.05774	2.2
294.24277	13.1
295.22662	57.0
296.23059	4.1
302.13181	1.3
309.03751	1.4
312.25455	2.6
339.22617	1.2
349.21576	1.8
360.25507	1.5
367.22705	3.1
378.26407	8.4
396.27670	1.3
405.27557	6.6
406.25861	1.3
423.28659	4.1
441.07919	3.6
441.15195	2.3
441.24594	57.6
442.25046	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	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29988	0.5
59.05005	2.5
63.45750	0.4
69.07069	1.6
69.07976	0.4
70.90456	0.5
70.90775	0.7
71.05004	3.5
77.75168	0.5
84.36698	0.5
86.09711	100.0
87.10045	1.8
95.04955	0.6
101.06039	2.9
106.00457	0.5
106.01233	0.5
112.17334	0.5
113.06003	10.0
115.00082	0.5
118.83765	0.5
131.07056	5.3
132.10214	69.4
133.10561	1.5
149.08110	8.5
216.97929	0.5
283.24341	0.5
384.18863	0.6
407.99026	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	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01878	11.0
57.03440	27.1
59.05007	3.2
61.02929	17.8
61.20466	1.7
67.05497	3.4
68.99780	2.6
69.03085	2.7
69.03436	32.7
70.01576	1.5
71.01346	4.9
71.04964	3.7
71.61986	1.9
73.02921	82.1
79.01869	4.4
81.03429	5.3
83.05025	1.7
85.02911	69.2
85.10182	1.9
87.04473	6.2
91.03966	4.7
95.08612	26.4
97.02895	57.1
99.04464	5.2
108.04487	2.3
109.02869	5.3
110.22906	1.6
113.09661	10.7
115.03941	30.0
119.27393	1.9
121.06538	3.6
123.04435	57.0
125.02325	3.1
126.05542	3.2
127.03936	27.2
131.10689	100.0
132.11046	1.7
133.02931	2.0
133.04973	38.2
136.03934	9.4
139.03911	68.1
143.03404	4.8
145.04968	31.9
147.04427	6.8
151.03961	11.2
153.01837	68.8
153.02954	5.2
154.02211	18.5
154.04996	78.0
155.05199	2.4
157.05028	1.8
158.54201	1.6
161.05962	2.6
163.03917	8.1
163.06026	13.6
165.05481	5.0
170.04433	2.9
179.03439	10.3
180.03737	6.0
199.06026	2.9
211.05981	2.4
223.06049	4.2
227.12816	2.5
228.80392	2.4
241.06999	8.7
242.05296	1.8
259.08096	7.3
271.06015	4.9
272.06412	11.0
273.07520	6.2
288.05774	2.6
289.07089	7.2
291.08633	7.8
295.10147	2.3
303.04935	2.2
304.05212	2.7
320.96307	1.8
332.04733	3.5
333.08514	1.6
364.48459	1.7
425.30548	2.1
442.11469	14.2
443.11630	1.7
443.18527	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	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01878	11.0
57.03440	27.1
59.05007	3.2
61.02929	17.8
61.20466	1.7
67.05497	3.4
68.99780	2.6
69.03085	2.7
69.03436	32.7
70.01576	1.5
71.01346	4.9
71.04964	3.7
71.61986	1.9
73.02921	82.1
79.01869	4.4
81.03429	5.3
83.05025	1.7
85.02911	69.2
85.10182	1.9
87.04473	6.2
91.03966	4.7
95.08612	26.4
97.02895	57.1
99.04464	5.2
108.04487	2.3
109.02869	5.3
110.22906	1.6
113.09661	10.7
115.03941	30.0
119.27393	1.9
121.06538	3.6
123.04435	57.0
125.02325	3.1
126.05542	3.2
127.03936	27.2
131.10689	100.0
132.11046	1.7
133.02931	2.0
133.04973	38.2
136.03934	9.4
139.03911	68.1
143.03404	4.8
145.04968	31.9
147.04427	6.8
151.03961	11.2
153.01837	68.8
153.02954	5.2
154.02211	18.5
154.04996	78.0
155.05199	2.4
157.05028	1.8
158.54201	1.6
161.05962	2.6
163.03917	8.1
163.06026	13.6
165.05481	5.0
170.04433	2.9
179.03439	10.3
180.03737	6.0
199.06026	2.9
211.05981	2.4
223.06049	4.2
227.12816	2.5
228.80392	2.4
241.06999	8.7
242.05296	1.8
259.08096	7.3
271.06015	4.9
272.06412	11.0
273.07520	6.2
288.05774	2.6
289.07089	7.2
291.08633	7.8
295.10147	2.3
303.04935	2.2
304.05212	2.7
320.96307	1.8
332.04733	3.5
333.08514	1.6
364.48459	1.7
425.30548	2.1
442.11469	14.2
443.11630	1.7
443.18527	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	442.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
57.03437	30.2
67.05491	1.8
69.03435	62.3
69.35232	1.9
70.06596	2.0
71.04996	4.2
73.02924	7.1
74.16128	1.9
79.01872	4.0
81.03429	4.1
82.52693	1.9
84.69416	2.1
85.02909	39.7
85.10166	3.0
86.09697	2.9
87.04473	40.6
88.16025	2.5
95.08608	25.0
97.02893	48.6
97.90137	1.8
106.69482	1.9
109.02868	2.7
113.09634	10.2
115.03144	4.1
115.03933	61.2
123.04436	15.3
127.03946	5.9
131.10686	100.0
132.10995	2.4
133.04965	60.6
137.02344	5.5
139.03908	25.1
143.03429	3.4
144.33037	2.2
145.04993	6.7
151.03926	3.6
153.01833	39.4
153.02905	2.0
154.02184	13.7
154.05002	3.7
179.03426	6.9
180.03773	2.3
193.04999	2.9
241.07144	2.0
271.06107	1.8
272.06277	9.4
281.06467	4.6
290.10483	2.4
443.13153	3.1
443.18835	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	442.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.6
57.03440	25.0
61.02925	9.1
63.17213	2.5
66.85020	1.8
69.03441	27.0
69.03790	3.7
69.87094	1.9
70.54857	4.9
71.01353	2.3
73.02930	52.2
81.03398	5.3
85.02912	100.0
87.04499	2.1
91.03948	3.0
97.02905	51.9
99.04443	4.0
108.84634	1.8
109.02888	9.4
111.28806	1.8
115.03938	29.5
127.03936	30.1
133.04947	9.8
135.17668	2.1
145.04976	45.7
163.06027	34.8
166.47330	2.1
203.05284	5.8
223.05998	2.4
241.07030	4.3
442.24966	91.7
443.25323	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	442.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91219	2.2
57.03447	25.1
61.02940	11.0
65.46404	2.0
69.03432	35.4
69.34395	10.4
71.01343	2.2
71.23349	2.0
73.02923	46.5
81.03432	5.3
82.17692	1.9
82.24969	1.8
83.57755	1.8
85.02910	100.0
87.04466	4.6
91.03960	2.7
97.02897	51.7
98.22593	3.5
99.04468	3.0
109.02898	8.9
115.03942	28.8
127.03912	25.2
127.19199	1.8
133.05003	8.2
145.04961	42.5
153.01802	2.5
163.06015	35.1
181.62360	1.8
223.06107	4.0
241.07092	3.5
259.08176	2.7
343.93018	2.1
442.25006	63.0
443.25064	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	442.96
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20998	0.5
55.76410	0.6
69.39773	2.4
71.62011	0.6
104.99275	100.0
105.99617	1.0
123.17047	0.6
123.26518	0.7
184.11609	0.6
186.99551	23.0
196.95131	0.7
227.25049	0.8
268.99945	4.1
278.95395	41.1
279.95615	1.5
287.40753	0.6
360.95956	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	443.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22050	1.9
71.30086	2.4
94.93043	6.6
99.97439	2.0
134.96159	2.7
139.03889	2.3
164.93561	4.9
175.11867	2.1
178.95036	2.7
192.25328	2.0
196.04820	3.7
202.89107	25.5
204.87062	2.6
212.85193	10.8
213.07491	17.7
250.47426	2.1
250.93507	2.9
251.03012	3.4
256.32791	2.0
268.94632	100.0
306.86981	1.8
306.90100	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	443.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22050	1.9
71.30086	2.4
94.93043	6.6
99.97439	2.0
134.96159	2.7
139.03889	2.3
164.93561	4.9
175.11867	2.1
178.95036	2.7
192.25328	2.0
196.04820	3.7
202.89107	25.5
204.87062	2.6
212.85193	10.8
213.07491	17.7
250.47426	2.1
250.93507	2.9
251.03012	3.4
256.32791	2.0
268.94632	100.0
306.86981	1.8
306.90100	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	443.0952
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
54.46756	7.1
59.07328	6.8
68.99806	10.3
70.06604	9.7
71.30912	10.6
90.66940	6.9
105.07062	20.3
121.06525	13.0
122.07134	9.8
122.09649	9.3
123.04426	20.6
135.04509	8.0
139.03905	58.8
147.04533	8.4
153.01830	16.0
163.03931	8.2
166.05014	11.5
167.03423	9.1
191.03426	14.6
197.01405	8.2
201.05467	9.4
206.93596	8.2
212.03778	37.6
257.04468	12.7
275.05591	21.1
287.05472	30.8
297.05563	12.7
299.05649	8.8
425.08304	12.2
443.09613	100.0
443.15302	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0972
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
55.01854	1.0
64.82468	0.6
68.99801	1.4
69.03417	1.2
69.57874	2.3
69.58295	1.4
70.06585	1.9
79.01852	3.1
85.02913	0.9
86.09698	1.8
95.04962	2.9
97.02864	1.0
98.23306	1.0
105.03389	1.3
107.01295	1.0
110.23454	0.8
111.00819	1.1
111.04440	2.7
115.05463	0.6
119.04971	2.4
121.06535	0.8
123.04433	100.0
124.04804	3.2
125.02397	1.5
127.03899	1.7
133.06506	1.0
133.12198	0.7
135.04396	0.7
135.34515	0.7
139.03906	73.1
140.04230	1.9
143.03397	3.3
143.04909	1.0
147.04427	11.5
151.03900	14.4
152.04225	0.7
153.01833	49.5
153.02921	3.2
154.02162	1.5
161.05972	2.1
162.61662	0.7
163.03813	1.2
165.05481	6.9
179.06995	0.8
181.06500	0.8
189.05473	1.7
207.06511	1.3
219.73627	0.7
231.06546	1.5
255.06578	2.5
273.07599	4.5
291.08630	12.3
371.13242	2.2
443.18924	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	443.262
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68924	0.8
62.55140	0.9
67.05517	1.2
79.05489	1.7
81.07054	1.5
91.05495	1.6
95.08630	1.4
102.52043	0.9
107.08583	1.2
107.47095	0.8
119.08588	1.6
123.04459	1.3
130.05000	1.1
139.03822	1.0
143.08525	0.9
185.04198	9.8
252.07184	0.9
281.20883	67.3
282.21353	4.1
297.06424	0.8
428.73062	1.0
443.26166	100.0
444.26434	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	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04539	0.4
60.05647	6.4
60.53355	0.4
67.05502	0.4
69.03432	0.7
69.07073	10.0
70.06596	24.1
72.04519	0.7
72.08167	2.2
74.24366	0.4
76.02229	0.5
85.02940	0.4
86.01855	0.4
86.09709	100.0
87.10027	2.1
97.02868	0.5
112.08727	3.0
113.07191	0.6
114.10297	0.6
115.08684	3.8
116.07093	7.7
120.08114	0.6
121.06525	0.5
127.03896	0.4
128.10725	17.1
128.11668	0.6
129.11067	0.7
130.09766	2.2
131.10677	0.4
133.05011	0.5
133.09685	0.5
134.08118	0.5
153.01817	0.6
156.10182	1.3
156.11328	8.2
158.09251	7.1
158.10515	0.6
175.11923	19.8
176.12125	0.5
183.14937	0.6
211.14470	0.8
211.47885	0.4
226.15454	0.7
269.18701	1.1
271.17654	9.2
288.20361	0.7
425.28668	0.7
443.19168	3.1
443.29773	84.5
444.20215	0.5
444.30090	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	443.3885
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
55.01861	5.0
55.05516	30.1
57.07071	10.0
59.04993	6.5
62.45275	6.2
67.05526	34.2
69.07070	56.4
69.37014	31.0
69.37422	14.3
71.05004	14.5
79.05499	33.6
81.07066	78.6
83.08646	17.7
87.04490	11.5
91.05489	24.5
93.07044	54.3
95.08615	100.0
97.10189	11.0
97.78614	7.0
105.07013	36.1
107.08598	81.5
109.10167	87.5
111.11715	8.7
111.18551	5.9
116.52580	5.8
117.07030	6.4
119.08601	44.4
121.10176	57.2
123.11730	37.2
127.11218	19.1
131.08597	16.8
133.10139	28.1
135.08076	6.9
135.11705	46.4
137.13277	10.5
139.11165	7.1
145.10132	19.0
147.11734	25.3
149.13260	40.5
153.12773	10.7
159.11739	11.0
161.13266	24.2
163.14897	16.1
173.13283	9.5
175.14845	15.3
177.16409	19.3
187.14806	7.5
189.16452	10.8
203.18030	14.5
207.77321	7.3
215.17915	6.7
217.19560	17.4
224.66640	5.7
229.19421	9.0
231.21159	6.5
261.86978	5.8
285.25870	9.7
425.37851	52.9
443.39075	11.5
454.98611	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	444.223
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	4.5
68.68885	1.7
71.01337	3.1
71.10833	1.8
73.04760	5.3
79.05504	3.2
81.03404	2.2
81.07071	2.5
82.72262	1.9
85.02912	7.8
86.20268	1.8
90.36736	1.8
91.05396	3.5
91.05821	6.8
97.02885	2.1
105.07030	10.9
106.07365	4.2
107.08571	2.9
109.10156	3.2
117.07021	6.3
127.03919	4.2
129.07005	2.5
131.08556	5.1
133.68787	1.8
135.04433	3.3
143.08560	8.9
145.10124	35.7
157.09987	1.8
157.74236	1.8
165.09167	3.3
167.05516	4.7
173.09633	26.6
173.13251	9.5
173.99306	2.2
174.42879	2.5
175.00060	4.5
183.11743	2.7
189.09117	8.7
191.10704	4.6
201.12738	6.6
202.54327	2.2
219.13884	5.0
229.12262	6.9
247.13306	100.0
248.13649	8.9
265.14212	5.1
337.05365	33.7
359.02951	7.0
427.09897	2.9
444.27396	2.2
445.10742	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	444.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	16.5
55.05541	12.2
55.28735	14.0
67.05488	17.6
69.07062	15.5
70.30040	15.0
70.30359	32.8
71.37366	13.6
72.08170	15.5
73.04760	33.8
79.05493	33.8
81.07068	51.5
83.04971	19.7
84.08117	18.7
85.02951	13.7
86.09695	26.0
91.05856	65.5
93.07066	51.2
95.04987	15.0
95.08611	33.1
97.55688	12.8
99.74140	15.5
105.07059	46.9
109.06535	19.9
109.10206	21.0
119.08591	61.3
121.06495	21.2
125.05995	56.0
127.22359	13.5
128.52365	13.9
131.08592	43.3
135.07976	15.7
143.08553	18.4
145.06451	19.7
145.10106	18.8
147.08038	53.1
149.04500	17.1
149.05891	17.0
159.08081	14.1
167.05522	41.9
173.06018	97.1
173.13248	38.2
183.11688	16.8
201.12787	76.9
219.13843	61.4
225.04303	33.9
229.12286	100.0
247.13359	87.4
359.02985	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	445.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.00088	0.6
53.00311	6.3
53.03945	5.7
55.01873	0.8
57.03408	0.5
63.02400	0.5
65.03936	0.8
68.99786	2.3
69.03428	4.9
69.32580	2.7
70.06575	1.7
71.01328	0.4
71.04980	1.1
72.08139	1.0
73.04752	2.4
77.03931	1.4
79.05499	2.7
81.03418	19.7
83.01353	0.7
83.05003	0.5
84.08147	0.5
86.09694	1.6
87.02351	0.4
89.03886	1.0
91.05854	2.1
93.03389	0.6
95.04938	0.6
97.02898	7.4
99.04456	2.2
105.03385	4.0
107.04952	3.5
109.02880	27.4
110.03196	0.7
111.00792	0.5
117.03371	2.3
123.04399	0.5
125.02320	1.2
127.03915	19.9
133.02846	11.1
134.03508	0.7
135.04410	2.5
137.02344	2.9
143.01277	0.5
145.02826	2.0
147.00763	0.6
149.04576	0.5
151.00291	0.6
151.03938	2.7
152.06958	0.5
153.01814	3.6
157.02893	0.5
161.02335	14.8
162.03047	1.7
163.03911	14.9
164.04324	0.5
165.01822	4.5
167.05554	1.6
173.02362	2.5
177.01851	1.3
179.03410	6.8
181.01286	0.9
189.01820	25.2
190.02591	4.0
191.03395	17.4
192.03796	0.6
193.01309	4.0
195.02869	2.3
197.06030	0.6
201.01866	2.7
201.05467	0.4
203.03459	0.7
205.01358	1.0
207.02879	18.2
208.03195	0.7
209.00826	0.6
209.04362	0.7
217.01323	36.5
218.01944	3.5
219.02876	17.3
221.00810	13.1
221.02863	0.8
222.01320	0.8
225.04204	1.0
229.01285	1.3
235.02357	33.1
236.02782	1.3
239.01866	2.2
245.00812	31.0
246.01314	2.6
247.02368	8.4
257.00812	0.5
263.01874	12.8
264.02197	0.6
269.03888	0.5
273.00299	24.0
274.00812	1.9
275.01813	2.6
291.01340	11.4
292.01779	0.6
297.03836	0.7
300.99777	8.3
302.00415	2.5
309.02289	1.3
319.00827	100.0
320.01138	5.4
359.02719	2.4
371.04123	0.6
399.03796	0.7
427.02927	1.6
445.04013	11.9
446.04449	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	445.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	8.6
53.00555	0.3
53.03948	3.5
54.42910	0.3
55.01847	0.9
67.01856	0.4
68.99774	0.8
69.03429	3.7
70.33411	0.5
71.04974	0.7
73.04768	2.5
73.64731	0.3
77.03928	0.6
79.05506	2.1
81.03424	12.1
83.01327	0.6
85.02884	0.6
86.09741	0.3
89.03918	0.9
91.05822	2.6
95.01299	0.3
95.04974	0.6
95.89771	0.3
97.02899	5.1
97.16238	0.3
99.04427	1.0
103.49921	0.3
105.03407	2.1
107.04973	3.0
109.02882	16.9
117.03384	2.0
120.02094	0.3
123.04448	0.8
125.02362	0.4
127.03915	8.6
133.01935	0.5
133.02861	6.2
135.04370	1.4
137.02318	1.5
145.02832	1.3
147.04381	0.5
151.03931	1.6
153.01848	1.6
161.01086	0.6
161.02347	9.4
162.02998	0.7
163.03914	13.2
164.04340	0.4
165.01828	2.6
167.05551	1.5
173.02339	1.7
175.00250	0.3
177.01854	0.9
179.03395	4.6
181.01268	0.9
189.01839	13.2
190.02580	1.4
191.03403	12.6
193.01326	3.9
195.02850	0.8
197.00943	0.5
201.01775	1.0
205.01364	0.5
207.02882	16.0
208.03293	0.5
209.00853	1.0
213.05435	0.6
217.01340	20.0
218.02000	2.2
219.02884	15.7
220.03223	0.4
221.00810	12.8
225.04276	0.9
229.01260	0.8
235.02385	24.1
236.02686	0.8
238.01018	0.7
238.81137	0.3
239.02010	1.6
241.04985	0.4
245.00827	14.3
245.03345	0.8
246.01376	1.1
247.02368	3.7
257.00992	0.5
263.01880	8.8
273.00317	8.5
273.03201	0.3
274.00778	0.5
275.01865	1.4
291.01379	6.8
297.03787	0.5
300.99808	3.2
302.00519	0.7
309.02322	0.6
319.00845	100.0
320.01163	5.3
320.10950	0.4
337.02145	0.3
359.02850	2.2
371.03833	0.8
427.03107	1.2
445.03998	12.8
445.15503	0.9
446.04175	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	445.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.00312	7.3
53.03944	5.2
55.01857	0.9
57.03425	0.8
60.36762	0.3
65.03939	0.8
68.99778	1.7
69.03426	5.0
70.06604	2.0
70.79945	0.5
70.80258	0.5
71.04978	1.5
72.08146	1.5
73.04398	0.3
73.04756	2.4
77.03928	1.3
79.05494	2.9
81.03419	16.2
83.01321	0.6
84.08160	0.5
86.09705	2.0
89.03922	1.7
91.05839	3.2
93.03406	0.4
95.01332	0.7
95.04941	0.7
97.02897	7.2
97.05896	0.3
99.04450	1.4
105.03404	3.4
107.04964	3.9
109.02879	23.6
117.03378	2.5
121.02879	0.4
123.04428	0.8
125.02361	0.9
127.03915	15.1
129.10219	0.6
133.02849	9.9
134.03638	0.5
135.04416	3.3
137.02319	1.4
139.03856	0.6
145.02864	2.2
147.00726	0.4
147.04387	0.8
149.02399	0.7
149.04529	0.4
151.03914	2.6
151.81949	0.4
153.01852	3.0
161.02333	12.3
162.03110	2.0
163.02510	0.8
163.03891	15.5
164.04259	0.6
165.01823	4.3
167.05528	1.6
168.00514	0.4
171.03001	0.4
173.02286	1.9
175.03970	0.3
177.01831	1.2
179.03391	6.9
180.03680	0.4
181.01340	1.2
185.02487	0.4
189.01822	21.2
190.02563	3.1
191.03387	16.9
192.03802	0.8
193.01344	3.8
195.02872	1.7
197.00656	0.5
197.06032	0.4
201.01770	2.1
203.03276	0.4
205.01300	0.6
207.02892	19.9
208.03183	0.6
209.00894	1.0
213.15904	0.4
217.01326	30.9
218.01974	2.9
219.02876	17.9
219.05048	0.5
220.03256	0.8
221.00816	13.2
229.01331	1.4
235.02367	28.5
236.02724	1.2
239.01881	1.7
241.04893	0.5
245.00806	24.5
246.01564	1.8
247.02335	6.2
248.02997	0.5
257.00842	0.6
263.01862	12.0
264.02206	0.5
273.00296	17.5
274.00793	1.3
275.01935	2.5
291.01328	9.9
292.01764	0.5
297.04004	0.4
299.05612	0.4
300.96408	0.4
300.99768	6.5
302.00513	1.5
309.02451	1.3
319.00827	100.0
320.01190	6.0
325.03366	0.6
342.99612	0.5
359.02808	2.6
370.09290	0.4
371.04065	0.9
427.02875	1.2
444.97992	0.6
445.04022	10.8
446.04376	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	445.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29554	5.2
53.51643	5.1
71.30107	5.4
93.76173	5.4
94.93018	36.5
96.92854	8.9
108.72388	5.8
188.15598	6.5
202.89133	59.2
204.87064	23.3
204.88954	36.1
208.91293	6.3
212.85185	13.8
214.84962	24.2
258.85617	8.1
262.86264	7.7
270.94482	24.8
284.83783	28.1
302.84796	10.8
308.90134	26.6
344.85712	27.7
359.02722	8.3
426.97977	7.6
445.05997	9.0
445.11209	100.0
446.11520	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	445.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79253	1.1
53.03941	2.5
56.62207	1.1
57.03439	1.9
66.05841	1.1
69.03437	8.0
70.06590	2.6
71.05009	1.9
73.02934	1.4
73.04761	35.0
73.05149	2.6
75.02663	1.4
81.03420	37.2
84.08177	1.3
91.05798	89.2
95.62186	1.2
97.00928	1.4
97.02903	1.5
99.04463	4.4
100.05116	2.7
109.06890	1.9
110.03539	18.9
110.06068	3.0
111.04441	19.2
114.07367	1.7
114.53596	1.1
119.01968	1.5
122.07192	1.2
124.05042	1.4
128.04626	1.4
129.02975	3.0
136.01492	1.9
138.02979	3.4
143.05693	3.4
149.04446	5.8
150.06631	1.4
153.04077	100.0
155.05743	1.6
162.06648	1.4
165.04118	2.8
167.05566	40.7
167.06932	2.3
168.05780	1.7
173.03026	1.6
175.11966	1.9
181.03564	32.5
183.05174	4.5
184.36809	1.3
190.06152	1.4
193.07289	6.5
202.56023	1.5
205.07170	1.3
208.07289	1.8
209.01318	1.4
209.06720	2.1
211.00954	5.2
218.05653	3.1
223.04587	2.4
223.08310	3.4
225.04289	15.5
226.04388	1.7
226.08264	2.5
227.02374	3.3
229.01944	2.2
232.52264	1.5
235.00986	3.1
235.08380	3.4
251.07793	1.6
253.02039	5.7
253.09344	6.1
254.07611	1.5
261.06268	1.5
263.07751	19.2
263.10309	1.8
264.08127	1.5
267.03757	1.4
269.08725	5.6
271.03061	1.4
277.09256	2.9
285.04745	1.3
287.09988	5.5
291.11111	1.8
293.08914	4.7
297.08267	12.1
303.10880	2.7
311.10004	3.4
315.09320	8.1
324.98557	2.7
333.12012	5.1
341.01852	2.9
342.99677	8.8
351.13083	5.1
359.02841	48.1
360.02841	6.3
369.13965	10.0
369.45728	1.2
379.12509	5.5
387.15143	24.2
388.15521	2.7
397.13498	23.4
398.14032	1.5
409.13489	19.7
410.14124	2.0
422.64996	1.3
427.14621	71.0
428.14960	5.6
429.08954	2.8
443.56555	1.2
445.15756	40.1
446.15851	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	445.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15590	2.6
57.03445	46.6
61.02927	19.7
69.03438	52.7
69.47570	7.0
69.47956	5.6
71.01349	5.5
73.02509	5.7
73.02919	100.0
75.62749	2.7
77.12305	2.6
79.29650	2.7
81.03429	6.6
83.03867	3.2
85.02907	86.0
87.04463	14.2
91.03985	6.5
97.02894	75.1
107.04966	5.3
109.02898	6.5
115.03926	70.1
127.03917	24.9
133.04970	39.3
134.06009	6.7
145.04962	47.1
150.07648	10.3
158.05988	7.3
163.06004	20.6
223.06027	7.0
241.07072	7.1
247.92180	3.0
259.08087	4.5
266.10229	33.4
295.10229	4.7
313.13831	4.0
359.02725	4.5
459.34921	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	445.2044
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.14120	0.3
55.05512	0.3
60.68531	0.3
60.89240	0.3
67.05490	0.6
69.64547	1.4
73.04760	1.6
84.89050	0.3
91.05829	2.1
92.90999	0.3
97.02859	0.5
98.23351	0.4
105.07047	2.3
121.16273	0.4
130.94577	0.3
135.04465	1.1
139.51581	0.4
145.02831	0.6
146.67694	0.4
149.79883	0.3
158.39851	0.3
163.03923	7.4
167.05573	0.9
201.03793	0.6
225.04272	0.6
243.48114	0.4
249.14880	0.4
284.12863	5.6
313.16214	0.6
333.07935	12.9
334.08197	0.5
335.09628	0.8
346.54404	0.4
347.87158	0.4
359.03030	1.3
405.10562	0.3
406.11224	0.3
445.20471	100.0
446.20908	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	445.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55195	0.3
52.37310	0.3
57.48188	0.4
62.16656	0.3
63.36577	0.5
66.01244	0.4
67.05480	0.4
69.72723	1.8
71.05000	0.5
73.04758	2.5
81.07075	0.4
81.10860	0.4
84.39953	0.3
91.05817	2.7
92.85328	0.4
93.07034	0.5
98.22717	0.5
123.04454	0.7
138.44781	0.3
149.04575	0.6
167.05556	1.7
167.06860	0.5
206.93431	0.4
225.04341	0.7
307.67599	0.4
313.16306	0.9
333.07919	23.7
333.29196	0.4
334.08267	0.7
335.09534	1.3
359.02921	3.0
431.38309	0.5
445.20465	100.0
446.20871	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.1
52.24684	1.4
53.03947	6.4
55.01870	3.7
55.05511	20.9
57.03421	3.2
57.07064	1.9
65.03938	5.0
66.29966	1.6
67.05507	60.1
69.07077	19.4
71.04996	5.3
71.30659	2.9
73.04762	4.0
79.05495	47.8
80.05851	1.7
81.07055	50.7
83.04547	1.8
83.05004	3.8
83.08627	8.1
85.06551	1.9
91.05457	64.8
93.07047	48.1
95.04976	7.4
95.08604	32.9
97.06522	4.5
97.10200	3.5
97.15737	1.9
99.08090	2.7
103.05476	3.4
105.07032	61.2
107.04955	5.3
107.08591	20.4
109.06525	6.8
109.10168	10.7
115.05450	5.7
117.07014	30.5
119.08584	41.0
121.06506	6.2
121.10138	14.0
123.08044	3.0
123.11719	2.6
128.06229	6.7
128.25681	1.7
129.07024	23.5
130.07761	2.2
131.08575	52.2
133.06467	2.8
133.10149	20.4
135.08069	4.7
135.11700	4.3
141.06999	9.1
142.07782	4.2
143.08543	16.6
145.06511	4.2
145.10135	25.2
147.08035	4.9
147.11674	6.5
149.09587	3.4
155.08566	10.8
157.10118	14.0
159.08141	1.7
159.11702	10.7
161.09637	2.5
161.13260	2.8
167.05573	5.5
167.08583	4.2
169.10179	8.7
171.11630	8.9
173.13293	5.3
175.14815	2.1
181.10100	4.6
183.11716	7.8
185.09663	3.1
185.13280	6.5
187.11197	2.5
187.14832	3.3
195.11740	3.8
195.86302	1.9
197.13300	7.6
199.14839	3.9
201.16479	2.6
209.13290	6.0
211.14833	4.9
223.14821	3.1
225.16411	3.0
227.14412	2.8
229.16125	2.5
231.17421	2.5
233.15445	2.4
237.16466	2.2
241.15984	2.7
245.15517	2.3
247.17065	2.8
255.17381	3.3
259.16919	3.6
261.18536	2.3
273.18512	3.2
275.20068	2.2
314.51932	1.9
325.25287	4.7
335.23761	4.6
343.26306	8.0
353.24762	22.3
359.02823	5.9
371.25800	20.8
372.26099	2.0
388.93845	1.8
389.26877	21.0
411.27530	2.1
427.28391	4.9
445.29477	100.0
446.29910	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	53.6
57.07075	72.3
60.12704	15.9
63.71041	16.1
67.05515	28.0
69.07057	100.0
71.08649	29.3
71.11106	36.3
79.98730	19.2
81.07063	76.0
83.08615	60.8
85.10171	32.4
91.05466	22.1
93.07045	31.5
95.08603	61.5
97.10184	41.1
105.06982	17.0
106.07899	16.4
107.08601	42.1
109.06575	29.3
109.10161	36.9
115.29122	16.8
125.01843	16.7
135.08072	24.3
137.05971	59.7
139.07535	78.4
149.09706	24.7
151.07565	44.2
163.11220	29.1
165.09126	55.4
177.09172	24.6
179.07112	25.3
231.13843	30.6
288.77081	23.4
417.37250	26.6
443.46182	18.7
445.36685	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67824	10.0
55.05496	25.2
57.07067	33.1
58.75089	10.6
62.21663	11.5
62.43193	12.9
67.05480	25.3
69.05247	100.0
69.07067	66.8
70.89465	11.2
71.08640	16.6
81.07033	40.9
83.08612	35.8
91.05797	18.7
93.07034	20.5
95.08606	33.9
97.10175	20.0
105.07040	13.4
107.08597	20.2
107.17904	12.2
109.10122	17.5
121.06490	14.8
123.29092	13.1
135.08101	11.6
139.07512	43.9
165.09076	59.0
165.61185	11.4
167.05518	14.4
177.09160	14.2
187.91150	11.0
191.10742	11.9
199.77321	11.9
202.09941	18.3
203.10687	24.7
359.02673	16.6
427.35638	17.0
445.36804	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	445.3679
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
50.88980	7.3
53.03936	8.2
55.05503	28.7
57.07072	48.3
58.57091	9.0
66.15756	8.3
67.05502	31.2
69.03433	8.1
69.07076	69.8
71.08623	34.4
79.05488	23.2
81.07064	83.6
83.08614	33.8
85.10172	25.4
91.05476	34.4
93.07065	51.4
95.08613	94.1
97.10176	29.8
105.07025	76.9
107.08606	58.0
109.06556	9.4
109.10155	53.6
111.11726	18.4
117.07090	13.9
119.08595	55.2
121.10162	53.0
123.11714	24.6
125.13297	9.2
129.06995	13.3
131.08598	37.2
133.10133	39.5
135.11707	31.8
137.13199	7.2
145.10123	49.7
147.08049	7.4
147.11697	37.7
149.13268	17.5
151.14830	6.8
155.07050	19.4
157.10202	10.3
159.11700	39.1
161.09694	8.1
161.13260	25.4
163.14850	11.3
165.09102	13.5
171.11768	15.3
173.13261	17.3
175.14807	12.0
185.13287	12.9
185.79741	7.4
187.14876	12.9
191.10667	15.7
199.14804	8.9
201.16245	10.6
203.17975	12.7
205.12209	8.5
227.18057	8.3
245.15320	10.1
269.18942	10.5
273.18280	9.3
287.19907	24.0
315.23285	11.1
325.76501	7.9
341.32047	22.7
343.33472	32.3
385.34756	17.4
427.35660	49.5
445.36813	100.0
446.36884	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90418	0.2
53.03936	0.7
61.60194	0.2
73.04739	0.3
75.84867	0.2
77.03895	0.3
87.42746	0.2
91.05447	2.8
93.07044	5.8
94.14012	0.2
95.04974	1.0
98.23501	0.4
99.67960	0.2
100.83057	0.2
103.05467	4.1
104.05798	0.3
105.04523	0.6
106.62181	0.2
109.02843	0.3
117.78826	0.2
121.06506	100.0
122.06827	3.0
138.09138	27.6
139.09453	0.9
143.83299	0.2
152.05688	2.1
153.04161	0.2
157.20807	0.2
232.81334	0.2
259.02374	0.3
277.03329	0.3
303.01334	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	446.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39565	0.4
51.02394	0.5
53.00305	0.7
53.03951	2.5
53.98701	0.3
55.01874	1.7
56.96548	0.4
59.04993	0.4
62.62564	0.4
68.25053	0.3
68.98009	0.4
69.03431	1.8
71.04993	0.8
71.28934	0.5
72.08145	0.4
73.04762	4.8
74.05103	0.4
75.75784	0.4
77.03964	0.6
79.05502	2.9
81.03420	5.2
82.03773	0.7
83.04990	0.4
84.04508	1.0
84.08137	0.5
86.09703	0.8
91.05807	9.9
92.05230	0.4
92.05721	0.8
95.04981	0.4
97.02897	1.6
97.85376	0.4
99.04483	0.9
101.06033	0.4
103.05470	2.3
104.38998	0.4
105.07037	100.0
106.07374	4.7
107.04990	0.6
109.02885	8.0
110.03207	0.9
121.06526	1.5
122.09674	51.1
123.10022	1.9
127.03914	3.7
128.04239	1.2
130.05035	2.6
133.02875	0.9
143.01625	0.9
149.04509	0.8
153.01823	0.6
161.02361	1.1
162.02686	0.9
163.03906	1.6
163.09660	0.4
164.04199	0.9
165.00047	1.2
167.05600	3.5
168.05579	1.5
169.05186	0.5
171.01106	2.4
189.01855	1.1
190.02200	1.2
191.03429	2.3
192.03757	1.4
193.01332	0.5
197.02620	0.4
201.01895	0.4
207.00990	0.3
207.02928	1.3
208.03224	1.2
214.05505	0.5
217.01309	1.7
218.01746	1.7
219.03003	2.2
220.03198	1.3
221.00862	3.0
222.01122	1.1
225.02374	0.4
225.04327	1.5
226.04303	1.3
229.01489	0.4
231.02931	0.6
233.01006	0.5
235.02371	1.5
236.02762	1.8
239.01775	0.4
241.41246	0.4
245.00833	1.3
246.01149	1.7
247.02318	1.6
248.02687	0.6
259.02371	0.7
263.01746	0.4
264.02170	1.0
273.00311	1.1
274.00635	1.6
275.01816	1.6
277.03455	1.9
284.02783	0.4
292.01721	0.9
300.05353	0.7
300.99728	0.6
302.00134	0.7
303.01349	3.1
315.01691	0.4
317.08127	0.8
319.00851	4.3
320.01236	10.0
321.01440	1.3
342.99805	0.5
343.99777	1.1
347.04211	0.5
359.03046	2.1
360.02942	4.9
361.02502	1.4
368.32758	0.4
430.08777	0.4
446.04410	1.9
447.05197	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	446.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44890	5.4
55.05511	17.5
55.17373	4.7
61.62343	4.7
63.44747	4.9
67.05505	12.1
69.03429	6.8
69.07063	26.8
70.31887	7.1
70.32207	11.4
73.04765	13.1
76.75397	5.1
79.05488	19.1
81.03424	6.5
81.07056	46.2
83.04977	8.5
83.08557	4.6
85.02913	19.7
91.05435	16.0
91.05827	24.7
93.07067	43.9
95.04990	10.6
95.08608	19.0
97.02876	6.5
105.07038	36.2
107.04958	9.0
107.08603	21.4
109.06522	16.2
109.10120	7.4
117.06998	6.1
119.08587	23.5
121.06514	25.0
121.10142	13.3
121.74220	5.3
125.06039	5.8
129.07037	8.3
131.08574	11.8
133.06505	8.2
133.10136	19.2
135.08107	8.9
143.08557	17.2
145.10110	14.7
147.08073	8.0
147.11807	5.7
151.07491	7.1
159.08160	6.7
161.06067	5.7
161.09596	10.6
163.07556	7.8
167.05534	10.6
169.08667	12.4
169.10078	6.9
175.07545	12.3
175.14874	20.0
185.13246	16.1
195.11537	5.5
203.14328	32.9
213.12791	24.4
221.15401	9.6
231.13805	94.0
232.14091	7.8
249.14903	100.0
263.39240	6.2
265.15128	6.0
266.22046	5.7
267.60345	5.3
343.99539	6.7
360.02969	20.9
446.27399	10.9
447.27121	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	446.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
54.13081	3.3
55.05514	10.0
61.02908	3.6
62.40787	3.0
62.65090	3.1
63.61777	2.9
67.05503	14.1
69.03442	6.8
69.07074	23.2
69.90508	3.8
71.28281	3.4
73.04758	12.5
77.20702	4.1
79.05499	18.1
79.65970	3.4
81.03414	11.1
81.07057	39.9
83.04996	5.9
85.02906	14.7
85.07202	3.2
91.05436	13.8
91.05826	13.4
92.05725	3.2
93.07044	40.3
95.04967	7.2
95.08612	19.2
97.02909	8.5
100.79468	3.1
105.07026	24.0
107.04939	5.8
107.08578	16.4
109.06531	12.0
109.10207	4.3
109.37490	3.1
117.06998	10.2
119.08546	22.0
121.06489	23.6
121.10172	12.0
123.08082	9.2
125.05940	3.9
127.03903	4.1
129.07059	7.5
131.08565	10.5
133.06485	7.9
133.10197	8.0
135.08084	7.1
141.06960	4.1
143.08578	17.8
145.10167	7.7
147.08037	11.1
147.11754	4.4
151.07532	7.7
153.01880	3.5
157.10043	6.8
157.65170	3.6
159.11728	3.7
161.05875	3.2
161.09589	9.9
161.13210	5.7
163.07542	13.3
163.11259	4.3
167.05505	9.2
169.08669	6.2
175.07549	9.2
175.14781	16.3
185.13332	17.3
189.09023	5.9
203.14355	29.7
213.12773	29.1
221.15308	5.8
231.13795	100.0
232.14165	3.4
246.40419	3.2
249.14882	63.2
250.15088	4.0
267.15836	5.9
276.95456	3.7
312.65540	3.2
355.22559	4.8
359.03021	4.1
360.02759	9.0
361.02515	5.2
395.75406	3.2
446.25891	4.7
447.27292	11.4
452.17285	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	447.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16318	0.1
73.04756	0.1
76.36512	0.1
81.03394	0.1
98.22632	0.3
121.02831	0.9
124.03958	0.1
141.07042	0.1
142.07730	0.1
152.06247	0.1
153.01801	0.4
155.04880	0.2
163.03879	0.2
167.03305	0.1
169.06502	0.6
170.07272	0.9
180.05824	0.2
181.06516	0.7
181.16286	0.1
187.03928	0.4
190.37325	0.1
197.05937	1.4
198.06763	5.0
199.07056	0.2
209.05960	0.5
211.97725	0.1
225.05501	0.7
226.06247	4.2
227.06825	0.3
237.05396	0.4
242.05792	0.2
253.05020	0.9
254.05742	26.6
255.06067	1.5
257.04443	0.5
259.02594	0.1
265.05038	0.3
269.04456	1.1
270.05273	0.8
271.06006	3.8
272.06604	0.4
277.03561	0.2
281.04462	5.3
282.05219	11.4
283.05917	2.4
285.04031	0.4
286.04691	1.9
287.04947	0.1
299.05499	8.3
300.06262	10.4
301.06650	0.6
315.08618	100.0
316.08972	7.0
387.10309	0.1
398.41428	0.1
447.12885	0.7
447.18314	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	447.22
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
52.09702	0.4
55.05515	0.5
60.55450	0.3
67.05491	1.0
70.06578	0.5
71.05000	0.5
73.04752	0.9
79.05481	0.8
81.03426	0.5
81.07066	1.0
86.09712	0.7
91.05785	1.7
93.07030	0.9
95.08618	0.9
97.02917	0.7
107.04931	0.6
110.07156	0.5
111.04440	0.4
114.98903	0.4
119.08637	0.6
123.11674	0.7
133.10086	0.4
145.10133	1.0
149.02344	1.2
150.39645	0.5
153.01875	1.3
163.81120	0.4
167.05522	0.5
210.05443	0.4
211.05971	0.7
227.20447	0.4
228.06660	0.5
256.06143	1.6
257.06381	3.1
275.07278	0.7
284.05557	4.1
285.05896	8.7
286.06113	0.5
315.17877	1.0
335.09546	0.7
361.02731	1.6
424.23517	0.6
447.22015	100.0
448.17618	0.5
448.22543	6.8
448.28226	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	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.8
53.23286	1.2
55.01864	6.3
55.05513	35.3
57.03436	13.3
57.07077	1.2
59.04987	2.1
65.03931	4.3
67.05508	74.7
69.03436	4.0
69.07071	17.3
70.43690	2.2
70.44021	2.6
71.01350	5.0
71.04993	5.5
72.02290	1.2
77.28421	1.7
79.05498	67.3
81.03420	100.0
81.06583	3.2
81.07057	50.2
82.03732	1.4
83.04981	13.4
83.08621	23.3
85.06538	4.7
91.05482	52.8
93.07047	58.4
94.07343	2.1
95.04971	49.3
95.05563	3.1
95.08602	17.7
96.05315	1.5
97.02886	3.1
97.06530	12.6
97.10167	18.3
99.08105	2.8
103.05488	4.1
105.07030	33.9
106.07387	1.5
107.04971	18.6
107.08598	37.8
107.09296	2.7
109.06532	10.9
109.10163	12.4
111.04469	2.7
111.08083	9.6
115.05464	5.0
117.07027	17.0
119.04919	2.5
119.08590	25.6
121.06507	18.9
121.10142	16.1
123.08080	3.4
125.09639	7.5
128.06212	4.8
129.07008	19.7
131.04948	2.9
131.08588	19.6
133.06523	9.3
133.10126	11.6
135.08063	4.8
135.10669	2.1
135.11697	41.4
137.09599	2.4
141.06978	4.6
142.07782	5.5
143.08577	5.5
145.06493	10.9
145.10107	19.3
147.08044	8.4
147.11691	9.3
149.09627	7.9
151.07585	1.4
153.12770	2.4
155.08511	2.9
157.06607	1.5
157.10161	14.3
159.08064	3.8
159.11685	4.5
161.09625	4.5
163.11185	12.4
165.12698	1.8
167.08545	3.4
169.10165	5.1
171.10365	1.5
171.11711	4.7
173.09592	2.3
173.11884	1.7
173.13193	3.0
175.11166	10.5
177.12953	1.8
181.10136	2.8
181.12218	6.0
183.11681	3.9
185.13242	6.8
187.11186	3.5
189.11198	6.9
191.14209	1.9
193.12234	33.4
194.12572	2.0
195.11743	2.7
197.13414	2.1
199.11311	1.8
199.13223	1.9
201.12813	1.4
203.14343	6.0
205.12177	2.3
211.11346	1.9
213.12752	2.4
215.14381	1.7
219.13823	4.8
225.12833	2.1
227.12660	2.4
231.13902	1.7
243.13846	2.6
244.26088	1.5
249.14941	3.8
250.75565	1.4
257.15390	2.9
267.16019	1.6
324.11197	1.6
327.23184	1.9
329.21158	4.6
337.21512	9.0
355.22644	21.2
356.22968	2.5
373.23801	9.7
391.24515	1.7
403.24835	2.8
411.25323	2.1
429.26367	14.7
430.26645	1.5
447.27377	82.3
448.27698	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	447.3468
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.05503	1.7
57.07077	7.6
63.55052	0.5
65.28895	0.6
67.01839	0.6
69.03429	0.8
69.07066	1.1
69.45898	0.7
71.08640	4.3
72.73045	0.6
79.05490	1.2
81.07070	1.6
83.01340	0.6
85.42713	0.5
91.05453	0.9
93.07048	0.9
95.01331	1.9
95.04974	0.7
95.08619	1.5
98.22587	1.9
99.00819	12.4
99.04455	2.3
105.07035	0.8
107.08586	1.2
109.02889	1.4
113.02364	2.5
117.01843	1.5
119.08540	0.7
121.10127	0.7
123.04473	0.7
125.06040	0.8
131.08640	0.8
135.04433	1.7
135.08035	1.1
137.05983	0.7
145.10193	0.6
148.43285	0.5
149.05995	1.0
151.07559	0.7
153.05516	3.5
163.07544	2.5
177.09125	2.1
181.04956	16.6
182.05495	0.7
183.06485	0.9
191.07040	2.1
191.10622	1.3
195.06531	35.6
196.07036	1.1
205.08626	1.0
209.08090	19.1
223.09645	16.4
224.09988	1.1
237.11201	12.0
251.12842	9.0
265.14328	4.0
279.15961	2.3
284.47134	0.6
293.17535	1.4
307.19119	1.3
321.20523	1.1
335.22113	0.8
447.34689	100.0
448.35007	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	448.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03944	0.9
55.05512	1.5
55.81780	0.8
56.05032	2.6
57.03444	8.6
58.99593	2.1
62.56834	0.9
67.05498	0.9
69.03419	1.5
70.06593	2.4
71.28976	0.8
74.02445	1.1
76.04008	1.1
79.01864	7.3
79.05493	2.3
80.05033	3.8
81.03406	2.2
82.06587	1.3
82.99570	3.3
83.06101	5.0
84.04512	33.8
84.97504	2.3
85.01115	1.3
85.02930	1.8
86.00657	2.0
86.09708	0.9
89.00616	0.8
93.07056	1.6
94.06581	2.5
95.04977	1.1
97.01129	3.6
97.02895	1.8
99.02679	1.0
99.05575	1.4
100.02225	2.0
102.05569	0.8
104.04994	2.7
105.05779	3.2
106.06573	2.3
107.01318	1.7
107.06086	1.3
107.07331	2.7
109.02879	1.5
109.07653	4.2
110.06033	1.7
110.99068	2.1
111.02666	8.2
112.02177	1.7
113.00608	1.7
113.04233	1.2
116.01740	1.7
117.00068	2.5
121.06495	1.1
122.06068	1.1
123.02674	5.6
124.02180	7.8
125.00566	1.9
125.02399	2.1
126.03777	0.9
126.05558	1.5
127.02145	1.1
127.03900	1.4
128.01649	1.1
129.03673	1.1
129.06609	2.8
129.24312	0.8
130.05013	5.2
131.08569	1.0
133.05260	1.4
138.03741	23.8
138.98511	2.2
139.02133	4.2
140.05298	9.9
140.26807	0.7
141.00052	4.2
142.03241	2.3
143.01674	1.2
143.03453	8.0
144.99579	1.8
145.06119	2.2
147.11653	1.4
148.02107	0.9
150.03696	3.8
151.02136	0.9
152.01692	1.0
153.01842	100.0
153.02913	5.8
153.06616	3.4
155.08142	4.5
156.04776	3.0
157.03217	8.5
159.11601	1.1
163.03979	0.8
166.03236	78.3
167.01639	14.6
167.03659	2.4
168.04785	17.8
168.06076	1.5
169.03159	0.9
169.04877	0.7
170.06264	0.8
171.04733	1.5
173.02698	5.6
177.05347	1.0
179.14346	2.1
181.06093	1.6
182.04768	0.8
182.06387	3.0
184.04297	9.2
194.02744	11.7
195.01108	1.2
195.05922	1.3
195.07631	1.8
196.04341	0.9
198.05870	9.5
199.04123	8.0
199.07172	1.8
208.04327	1.0
212.03792	5.5
216.06924	8.0
222.05902	1.8
223.05360	19.6
223.07239	4.7
237.08794	0.9
241.06467	5.2
245.05966	4.9
250.05350	8.2
255.08032	1.8
257.07733	1.0
269.05930	91.0
270.06210	4.6
277.03516	0.9
278.04578	3.3
282.08133	1.0
283.07486	14.5
287.05148	15.9
295.07550	2.4
301.08542	65.7
302.09012	2.6
321.01340	1.2
322.01825	1.8
327.10083	1.7
341.08093	5.7
353.08014	2.4
373.10654	26.0
374.10974	1.9
385.10767	1.1
399.09070	1.5
416.11136	1.9
431.11069	1.0
448.13861	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	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35672	0.6
53.03942	1.0
64.87874	0.6
70.06590	0.7
71.22073	1.0
73.84493	0.6
91.05466	3.0
93.07054	5.8
95.04987	1.5
103.05467	3.5
121.06513	100.0
122.06849	2.7
138.09143	30.4
139.09474	0.8
153.01842	2.2
172.24754	0.7
173.32903	0.7
182.25394	0.6
237.15805	0.6
246.61017	0.6
287.05518	7.0
316.22983	0.8
374.30020	0.6
419.13602	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55907	2.1
53.03952	1.9
55.01863	3.0
55.05512	4.8
57.03437	4.1
63.75856	1.8
67.05507	3.8
69.03422	8.9
69.07065	6.4
69.58880	7.4
71.05009	9.4
72.08147	2.0
79.05495	9.0
81.03417	7.5
81.07064	10.3
83.04971	2.9
85.02900	22.1
86.09712	3.9
87.00833	4.9
91.05452	11.1
93.07062	12.6
95.04959	5.0
95.08595	9.8
97.02901	6.0
97.06537	11.5
99.04478	8.2
105.01810	2.3
105.07036	31.4
107.04950	7.7
107.08590	9.4
109.02872	5.7
109.06522	4.8
117.07020	4.5
119.04919	3.2
119.08585	21.3
120.08087	3.2
121.06486	9.0
121.10093	2.2
125.06017	8.3
127.03909	7.2
131.08554	4.3
133.06485	3.6
135.08023	3.9
135.11679	5.6
137.02379	4.4
137.05959	3.3
139.07504	3.0
143.07008	5.1
143.08562	3.8
145.04926	3.5
145.06540	2.5
145.09024	2.3
145.10127	30.0
147.11697	62.7
148.12033	2.4
153.01823	11.0
157.10075	2.8
159.02898	2.0
159.08128	2.8
159.11722	11.8
163.11174	42.0
165.01924	2.1
165.12704	1.7
169.10153	3.1
171.11725	3.3
173.09622	23.6
176.53580	1.6
181.12247	11.5
187.11200	12.5
189.12755	6.9
191.10651	7.6
197.09625	3.5
205.12296	9.0
213.05502	2.8
214.86710	1.7
215.10661	14.6
227.12769	12.0
233.11742	38.6
233.15404	1.8
251.12834	22.8
251.80315	2.0
287.05487	100.0
303.04929	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41853	0.8
57.07074	1.4
61.43313	0.7
67.05505	0.8
69.03429	3.5
69.07082	0.9
69.17149	2.2
69.17564	3.4
71.04975	1.1
79.05492	2.2
81.03431	1.0
81.07048	3.7
85.02917	4.6
85.06546	1.8
87.04480	4.8
87.88940	0.8
91.05452	1.4
93.07058	3.8
95.04978	2.4
95.08598	3.1
97.02897	2.5
103.05482	0.9
105.07021	8.1
107.05000	0.7
113.06013	30.3
115.03940	6.2
119.08585	3.1
121.10149	100.0
122.10473	3.7
123.08086	2.7
125.06052	0.7
127.03952	0.8
131.07047	3.4
131.08568	1.7
133.07590	1.8
137.13254	7.9
139.11189	1.7
145.04982	0.8
145.10176	1.1
149.09619	0.9
153.01862	3.5
159.11662	0.9
171.11734	2.3
171.17421	0.8
173.13263	3.4
177.09117	1.0
205.15884	1.6
215.14288	0.9
233.15404	9.1
251.16443	28.2
252.16766	2.1
257.00903	1.1
269.17471	16.2
285.00433	1.6
287.05475	4.4
303.04886	1.8
311.38602	0.8
316.09103	1.6
317.02789	3.4
390.02115	0.7
393.54419	1.0
393.76990	0.8
423.51764	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	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.2
62.94383	0.9
67.05512	1.2
69.03442	1.6
69.07072	1.0
70.35088	3.4
71.04996	1.0
77.24969	0.8
79.05483	3.1
81.07065	3.4
85.02913	5.6
85.06549	1.2
87.04475	4.4
91.05508	1.5
93.07043	3.8
95.04984	2.0
95.08611	2.4
97.02885	0.9
105.07044	10.2
113.06020	27.1
115.03928	7.2
119.08604	3.5
121.10154	100.0
122.10479	2.5
123.08052	2.0
131.07054	2.1
133.07628	2.1
137.13261	4.8
139.07600	1.1
139.11211	2.0
153.01842	13.5
153.02971	1.8
171.11722	2.9
173.13283	3.9
177.09120	1.0
205.15836	1.4
209.58992	1.0
233.15395	10.2
242.89755	1.0
251.16454	30.2
252.16774	2.3
269.17487	28.0
270.17764	1.9
287.05524	8.3
352.81784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
57.07066	2.3
57.87544	1.1
67.05504	2.4
69.07054	2.3
70.80986	1.4
70.81324	1.5
71.08635	2.0
77.57404	1.0
81.07039	2.3
83.08608	1.8
85.10181	1.3
92.38477	0.9
93.07047	1.8
95.08640	1.1
97.10168	2.0
107.49240	1.0
109.10161	5.5
111.11739	1.4
119.08587	3.0
121.06519	15.7
135.08064	1.8
136.08833	14.2
137.09619	15.3
149.02295	1.7
149.09726	1.3
152.08284	1.0
164.08339	32.2
165.09120	100.0
166.09546	3.3
167.87167	1.2
181.08659	2.1
182.05615	1.1
190.09903	1.9
205.12228	6.0
340.99210	1.2
347.96310	1.3
389.30725	1.2
430.38065	80.0
431.38434	8.9
448.38635	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	449.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02372	0.7
53.00309	0.1
53.03934	0.1
55.01871	0.3
56.97068	0.1
57.07844	0.1
59.46148	0.1
60.07828	0.1
67.05502	0.1
68.99804	0.2
69.03426	0.4
69.75709	0.2
79.01855	7.5
80.02196	0.2
81.03413	1.2
85.02922	0.1
87.00820	0.2
89.03926	0.1
91.05443	0.1
97.02894	1.7
99.04468	0.2
99.43102	0.1
107.01321	1.5
107.08557	0.1
108.08092	0.1
109.02879	0.9
117.03362	0.3
121.02859	0.1
123.00786	0.3
123.04459	0.1
125.02340	3.7
127.03915	0.7
130.88347	0.1
135.04370	0.1
136.07631	0.2
137.02309	0.2
137.06004	0.2
139.03886	0.1
143.03400	8.1
144.03763	0.2
145.02850	0.5
147.04420	0.1
149.02399	0.1
149.05989	0.1
151.03943	0.2
152.07085	0.2
153.01830	100.0
153.02873	6.0
154.02165	2.9
154.03305	0.2
159.04399	0.1
161.06004	0.1
163.03897	0.4
164.07120	0.1
165.01837	0.1
170.87071	0.1
175.03944	0.1
177.05463	0.8
179.03441	0.1
185.05954	0.1
189.05394	0.1
190.30746	0.1
191.03404	0.6
193.04897	0.1
195.02805	0.1
205.04927	0.1
205.47018	0.1
207.02831	0.1
209.04477	0.3
213.05481	0.2
215.03331	0.1
219.02917	0.1
233.04430	0.2
237.03937	0.9
241.04916	0.1
259.05966	0.1
261.03958	0.3
261.07358	0.1
262.36304	0.1
264.09033	0.1
279.04877	0.5
287.05493	8.5
287.12488	0.3
288.05789	0.4
297.06140	0.1
299.05444	0.1
302.03973	0.2
317.06638	0.6
374.02606	0.1
449.06747	0.7
449.18115	0.2
449.24991	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	449.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02380	0.9
51.11999	0.3
53.03955	0.2
55.01884	0.3
64.86054	0.1
68.99796	0.3
69.03432	0.4
69.85764	0.3
69.86168	0.3
70.06596	0.4
72.08170	0.2
79.01857	7.1
81.03419	2.5
83.89081	0.1
86.09692	0.4
97.02896	1.4
105.06965	0.1
105.68818	0.1
107.01309	1.3
109.02882	1.5
120.08085	0.2
121.02867	0.2
123.00776	0.3
123.04422	0.2
125.02360	3.1
127.03979	0.2
136.07622	0.1
137.02350	2.1
137.03387	0.3
143.03403	7.4
147.04442	0.2
149.02432	0.2
153.01834	100.0
153.02905	6.5
154.02174	2.5
154.03377	0.2
157.06473	0.2
161.06003	0.3
163.03923	0.2
165.01764	0.2
175.03897	0.2
182.69699	0.1
184.08952	0.1
185.05975	0.4
189.05469	0.3
197.00874	0.4
205.05011	0.2
213.05495	1.2
231.06511	0.5
233.04503	0.2
241.04939	0.7
241.27608	0.1
261.04044	0.3
269.04477	0.2
279.04950	0.4
287.05493	59.6
288.05823	3.3
297.06046	0.4
329.06497	0.2
449.06644	2.3
450.06805	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	449.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12434	0.2
53.03933	0.3
55.01884	0.3
57.03434	1.2
61.02911	0.5
67.01853	0.2
67.05508	0.3
69.03426	1.9
70.99007	0.4
71.04997	0.5
73.02556	0.3
73.02920	2.9
75.36916	0.4
79.01866	0.4
81.03416	0.5
83.04984	0.3
84.08134	0.3
85.02909	1.9
86.09695	0.8
87.04466	0.2
91.05418	0.2
91.94645	0.2
93.07072	0.3
97.02901	1.8
98.79751	0.2
103.05484	0.2
104.10719	0.5
105.07013	0.3
109.02903	0.3
111.00795	0.2
115.03951	1.3
115.05455	0.2
117.03416	0.3
120.08112	1.1
121.02878	0.5
121.14746	0.2
124.03944	0.3
127.03927	0.3
135.04384	0.7
137.02327	1.1
143.03386	0.3
145.02797	0.4
145.04851	0.3
153.01836	6.9
153.02940	0.3
161.02385	0.3
161.05934	0.5
162.03099	0.3
163.03947	0.4
165.01820	0.4
171.04376	0.4
173.02332	0.7
174.03160	0.2
177.05447	0.3
179.24002	0.2
184.07358	0.6
185.06058	0.3
187.03844	0.5
189.01805	0.3
189.05460	0.4
190.02560	0.8
199.03821	0.3
201.01898	1.3
202.02541	0.5
213.05429	0.8
215.03398	0.9
217.04947	0.8
218.00290	0.2
218.02104	1.3
225.01897	0.5
227.03438	0.6
228.00539	0.3
229.01347	0.9
230.02116	0.5
231.02698	0.4
231.06575	0.4
233.04300	0.2
241.04947	0.7
243.02881	4.2
244.16977	0.4
245.00943	0.3
245.04366	0.5
246.01630	2.9
247.02145	0.3
255.02940	0.4
257.00821	10.8
258.01324	1.0
261.03970	0.5
269.04492	0.3
271.02408	2.1
273.03857	1.0
274.01016	0.9
285.00293	5.2
286.01010	1.4
287.05499	64.7
288.05844	3.4
289.03461	1.1
299.01801	1.7
302.00571	27.4
303.00983	1.0
303.04248	0.3
317.02911	100.0
318.03265	5.8
448.30884	0.2
449.07104	0.6
449.18289	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	449.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12434	0.2
53.03933	0.3
55.01884	0.3
57.03434	1.2
61.02911	0.5
67.01853	0.2
67.05508	0.3
69.03426	1.9
70.99007	0.4
71.04997	0.5
73.02556	0.3
73.02920	2.9
75.36916	0.4
79.01866	0.4
81.03416	0.5
83.04984	0.3
84.08134	0.3
85.02909	1.9
86.09695	0.8
87.04466	0.2
91.05418	0.2
91.94645	0.2
93.07072	0.3
97.02901	1.8
98.79751	0.2
103.05484	0.2
104.10719	0.5
105.07013	0.3
109.02903	0.3
111.00795	0.2
115.03951	1.3
115.05455	0.2
117.03416	0.3
120.08112	1.1
121.02878	0.5
121.14746	0.2
124.03944	0.3
127.03927	0.3
135.04384	0.7
137.02327	1.1
143.03386	0.3
145.02797	0.4
145.04851	0.3
153.01836	6.9
153.02940	0.3
161.02385	0.3
161.05934	0.5
162.03099	0.3
163.03947	0.4
165.01820	0.4
171.04376	0.4
173.02332	0.7
174.03160	0.2
177.05447	0.3
179.24002	0.2
184.07358	0.6
185.06058	0.3
187.03844	0.5
189.01805	0.3
189.05460	0.4
190.02560	0.8
199.03821	0.3
201.01898	1.3
202.02541	0.5
213.05429	0.8
215.03398	0.9
217.04947	0.8
218.00290	0.2
218.02104	1.3
225.01897	0.5
227.03438	0.6
228.00539	0.3
229.01347	0.9
230.02116	0.5
231.02698	0.4
231.06575	0.4
233.04300	0.2
241.04947	0.7
243.02881	4.2
244.16977	0.4
245.00943	0.3
245.04366	0.5
246.01630	2.9
247.02145	0.3
255.02940	0.4
257.00821	10.8
258.01324	1.0
261.03970	0.5
269.04492	0.3
271.02408	2.1
273.03857	1.0
274.01016	0.9
285.00293	5.2
286.01010	1.4
287.05499	64.7
288.05844	3.4
289.03461	1.1
299.01801	1.7
302.00571	27.4
303.00983	1.0
303.04248	0.3
317.02911	100.0
318.03265	5.8
448.30884	0.2
449.07104	0.6
449.18289	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	449.1078
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03437	7.8
68.99783	3.3
69.60063	12.4
71.04996	26.7
72.10525	2.6
73.21529	2.3
83.00645	2.9
85.02919	31.7
100.41709	3.0
113.05972	2.8
121.10122	7.7
122.10472	3.3
129.05487	6.3
135.04393	2.9
137.02411	6.5
143.03430	3.3
153.01814	15.3
164.72331	2.9
192.68153	2.8
198.79543	2.7
201.05507	2.6
229.05011	3.6
250.30504	2.6
252.16803	3.5
257.00851	2.8
257.04321	3.5
274.04550	3.6
285.00369	5.1
287.05496	85.8
288.05737	4.5
294.69028	2.8
302.04218	12.1
303.04993	100.0
303.08539	4.8
304.05161	5.3
317.02914	16.0
317.06589	15.3
366.95816	2.9
413.08356	3.3
449.11148	3.1
449.17587	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03943	0.7
54.23191	0.5
57.03450	0.8
58.72145	0.5
59.63625	0.6
61.02940	0.8
69.03426	3.4
69.04653	3.4
69.05075	1.9
73.02882	0.8
81.03423	1.0
85.02907	8.4
97.02892	3.8
99.04502	0.6
105.39749	0.5
107.04995	1.0
109.02881	1.5
110.96706	0.7
111.00799	1.1
119.38267	0.5
121.02846	3.1
127.03937	1.9
137.02353	1.2
145.04962	1.0
145.06459	0.8
153.01834	5.3
165.01837	1.7
183.02859	1.2
185.06035	0.7
212.62964	0.6
213.05405	1.3
231.06407	1.2
258.05231	1.6
287.05496	100.0
287.27377	0.7
288.05841	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	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.29826	0.1
67.01861	0.7
67.05466	0.2
68.99795	0.6
69.03421	0.4
69.07082	0.2
69.13270	0.1
70.67384	0.3
73.02930	0.2
79.01868	1.0
79.05483	0.2
81.03412	0.3
81.07063	0.2
85.02901	0.2
88.77255	0.1
89.03928	0.3
91.05470	0.3
93.07040	0.2
95.08613	0.2
97.02886	0.2
105.07024	0.4
106.02915	0.2
107.01299	0.2
107.04946	0.3
109.02914	0.2
111.04458	0.2
115.05444	0.2
117.03376	0.3
117.06970	0.2
119.08567	0.2
121.06482	0.4
121.10131	0.4
123.04401	0.2
123.11641	0.2
125.02360	0.4
127.03900	0.2
131.08514	0.2
133.10086	0.2
135.04413	1.9
137.02333	1.0
137.06012	0.2
139.03902	1.4
143.03378	1.1
147.04453	0.2
149.02347	0.2
151.03912	0.4
153.01828	15.6
153.02873	0.7
154.02129	0.3
161.02348	0.4
161.05981	0.2
163.03836	0.2
171.02867	0.5
177.05431	0.3
179.03471	0.3
185.05971	0.3
187.14749	0.2
189.05408	0.2
203.07060	0.2
213.05450	0.5
214.16875	0.2
231.06488	0.2
233.15459	0.3
241.04837	0.8
251.16473	0.2
269.04483	0.6
286.04492	0.2
287.05484	100.0
288.02740	0.3
288.05820	5.4
302.00653	0.4
317.02878	0.5
398.09460	0.2
413.06604	0.2
449.10486	0.7
449.17575	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	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03411	0.5
61.02934	3.6
68.99773	0.4
69.03395	1.0
69.79099	1.1
70.06614	0.4
71.04957	0.5
73.02872	1.0
81.03390	0.4
85.02451	0.3
85.02916	3.9
86.09674	0.6
87.44154	0.3
91.03967	2.3
97.02888	1.8
107.04987	0.5
109.02879	0.6
111.00759	0.6
119.08596	0.3
120.08087	0.4
121.02878	2.4
127.03883	0.9
130.06439	0.5
133.02809	0.4
135.04439	0.7
137.02330	1.0
143.03394	0.4
145.02817	0.4
145.04895	0.5
146.50847	0.3
147.04414	0.6
147.11649	0.4
153.00691	0.5
153.01848	8.8
153.03004	0.4
158.06042	0.3
165.01840	1.4
177.05476	1.1
183.02933	0.7
185.05911	0.4
213.05505	1.1
231.06509	0.4
241.04988	0.7
243.02888	0.6
257.00784	1.4
258.05286	0.9
285.00287	0.9
287.05518	100.0
287.12369	10.7
288.05859	5.1
288.12894	0.4
289.03284	0.4
290.11459	0.4
299.05771	0.7
302.00565	3.4
303.04886	0.5
317.02924	15.9
318.03238	0.9
329.06433	0.4
372.91452	0.4
449.17914	12.7
450.17896	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	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
65.03967	0.2
68.99792	0.3
79.01850	0.7
81.03438	0.3
85.02910	0.2
95.35619	0.1
97.02878	0.2
97.67372	0.2
97.96716	0.1
107.99601	0.1
109.02915	0.2
115.05466	0.3
121.02858	0.2
123.04428	0.3
125.02357	0.2
137.02339	3.0
137.03391	0.3
143.03404	0.7
143.04953	0.2
145.06377	0.2
147.04359	0.3
149.02330	0.7
150.02873	0.1
153.01840	10.1
153.02922	0.6
157.06531	0.7
160.05186	0.1
161.06010	0.4
163.03854	0.2
165.01855	0.4
171.04463	0.3
175.03963	0.2
185.05916	0.9
189.05496	0.5
199.03937	0.2
203.07103	0.2
213.05466	2.4
216.04224	0.3
231.06551	0.8
234.27908	0.1
237.00255	0.1
241.04953	1.4
242.05704	0.4
258.05276	0.2
259.06049	0.2
269.04300	0.5
287.05499	100.0
288.05826	4.7
300.23727	0.2
308.66272	0.1
360.88049	0.1
449.11545	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	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
50.09906	0.1
55.01872	0.2
68.99781	0.4
71.18535	0.2
79.01854	1.2
80.91716	0.1
81.03416	0.5
85.35212	0.1
86.09691	0.2
86.24987	0.1
97.02888	0.4
107.01344	0.2
107.99418	0.1
109.02879	0.4
111.00797	0.1
115.05465	0.2
121.02920	0.3
121.29121	0.2
123.04453	0.1
125.02370	0.3
127.03925	0.2
127.84361	0.1
129.06999	0.2
137.02341	2.8
137.03378	0.3
139.05431	0.2
141.06895	0.2
143.03397	1.4
143.04915	0.4
147.04419	0.3
149.02319	0.5
153.01834	17.2
153.02916	1.1
154.02141	0.4
157.06494	0.5
161.06038	0.3
165.01830	0.3
167.04965	0.2
168.13335	0.1
171.04474	0.3
175.03891	0.2
175.07541	0.3
185.05937	1.0
189.05502	0.3
199.03906	0.2
203.06996	0.2
213.05458	2.6
216.04272	0.2
231.06540	1.0
241.04987	0.9
242.05658	0.3
258.05194	0.2
259.06146	0.3
269.04465	0.5
287.05493	100.0
288.05838	5.4
290.19409	0.2
436.53638	0.1
449.06342	0.5
449.10925	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	449.1081
Annotation	Maritimetin 7-glucoside
Peak:m/z	Relative Intensity
50.01601	0.5
51.02374	0.9
53.00317	0.2
53.03938	0.2
55.01885	0.8
57.03432	0.5
61.02927	0.2
65.03940	0.3
67.01870	0.2
68.99796	0.7
69.03429	0.5
71.30872	0.2
73.02939	0.2
75.04483	0.1
79.01858	8.5
80.02197	0.2
81.03423	1.7
85.02909	1.1
87.00836	0.3
88.04008	0.2
89.03910	0.4
91.05489	0.3
92.99764	0.3
93.07056	0.1
95.01344	0.1
95.04971	0.3
97.02901	2.4
98.03233	0.2
98.97572	0.1
103.03953	0.5
103.05426	0.2
105.03393	0.5
105.07052	0.1
107.01332	1.8
107.04960	0.4
109.02870	1.2
109.24538	0.2
111.00812	0.3
113.86452	0.1
115.05439	0.2
117.02687	0.1
117.03329	0.7
119.05012	0.2
119.08527	0.2
121.02876	1.0
121.06535	0.2
123.00813	0.4
123.04424	0.5
125.02355	4.0
127.03944	0.9
131.04944	0.2
133.02887	0.4
135.04433	0.8
137.02348	1.6
137.03435	0.2
137.05956	0.2
139.03922	0.2
141.01843	0.5
143.03407	9.3
144.03737	0.2
145.02834	1.4
147.04437	0.6
149.02356	0.9
149.05984	0.4
150.03108	0.2
151.03929	0.4
153.01836	100.0
153.02913	7.1
154.02155	2.8
159.04384	0.2
161.02362	0.8
161.05991	0.2
163.03903	1.0
165.01846	2.4
167.03394	1.1
167.07077	0.3
171.04413	0.3
173.11887	0.2
175.03915	0.6
177.01895	0.8
177.05466	2.6
178.05791	0.1
179.03419	0.5
181.05023	0.2
181.06490	0.4
183.02892	1.1
184.05180	0.2
185.05975	0.3
187.03876	0.3
189.05492	0.4
191.03391	1.1
195.02876	1.2
197.05911	0.2
199.03883	0.2
199.07648	0.2
203.03406	0.5
205.04776	0.3
209.02698	0.2
209.04370	0.3
209.06044	0.4
213.05463	0.7
215.03421	0.4
220.93575	0.1
227.07047	0.4
231.02844	0.3
231.06522	0.5
233.04298	0.2
237.03987	0.6
241.04979	0.6
245.04507	1.0
253.04973	0.2
255.06639	0.7
259.05930	0.2
261.03979	0.3
265.05014	0.5
265.08313	0.2
269.04446	0.3
269.08197	0.4
270.05234	0.3
271.05981	0.3
273.07608	0.3
279.05063	0.2
283.06012	1.3
283.09143	0.2
284.87326	0.2
287.05499	28.2
288.05823	1.6
289.03400	0.5
293.07968	0.2
297.07428	0.5
299.05524	9.9
300.05722	0.8
301.07034	0.4
302.02557	0.4
307.05951	0.2
311.05511	3.6
312.05820	0.2
313.03369	0.4
313.07043	0.2
314.99539	0.3
315.04950	0.4
316.00314	1.5
317.01126	0.3
321.07385	0.2
323.05536	0.5
325.03372	0.3
325.07016	1.8
327.05035	0.2
328.11810	0.4
329.06558	11.9
330.01923	0.5
330.07037	1.0
331.02673	1.7
333.04044	0.2
337.06927	0.3
339.08691	0.9
349.07117	0.5
353.06583	4.2
354.06757	0.3
361.03494	0.2
363.05368	1.8
365.06570	3.2
366.06827	0.3
367.08267	0.3
377.06631	0.6
383.07596	1.5
395.07596	2.6
396.07834	0.2
413.08588	2.4
414.09363	0.2
431.09778	2.0
432.10001	0.2
449.07065	0.7
449.11801	0.3
449.18915	2.2
450.08484	2.2
450.49310	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	449.1079
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.01589	0.1
51.02378	0.2
53.03957	0.3
53.66407	0.1
55.01874	0.2
68.99787	0.4
69.71294	0.2
69.71686	0.2
79.01849	1.4
81.03420	0.5
85.02898	0.2
86.09715	0.2
91.05473	0.4
93.07065	0.8
95.04955	0.1
97.02888	0.3
103.05475	0.4
107.01307	0.4
109.02882	0.5
111.00817	0.2
115.05482	0.2
121.02862	0.4
121.06506	11.5
122.06811	0.2
123.04488	0.2
125.02342	0.6
127.03954	0.2
129.06990	0.2
132.04471	0.7
137.02344	2.5
137.03383	0.3
138.09148	3.1
139.05418	0.1
141.06998	0.2
143.03378	1.5
143.04973	0.2
145.06519	0.2
147.04388	0.2
149.02368	0.3
150.03070	0.2
150.05461	0.2
153.01833	21.0
153.02921	1.4
154.02177	0.5
157.06473	0.4
161.05959	0.4
163.03912	0.2
163.72176	0.1
165.01837	0.3
167.07054	0.2
171.04417	0.2
175.03900	0.3
175.07474	0.2
185.05942	0.8
189.05453	0.5
193.04976	0.2
203.07100	0.1
205.32201	0.1
213.05472	2.2
216.04210	0.3
217.05011	0.2
231.06514	0.7
241.05009	1.0
241.10809	0.2
242.05653	0.3
259.05945	0.4
264.42368	0.1
269.04355	0.4
286.04492	0.2
287.05487	100.0
288.05804	5.2
297.06110	0.2
434.00345	0.1
449.06818	0.8
449.11301	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	449.1078
Annotation	Distichin
Peak:m/z	Relative Intensity
57.03434	1.0
61.02895	0.2
66.01055	0.2
68.32264	0.1
68.99797	0.1
69.03392	0.1
71.01325	0.1
71.03686	0.2
73.02920	1.5
78.01035	0.2
81.03378	0.1
85.02882	0.2
92.02600	0.2
93.03393	0.1
95.08553	0.1
97.02855	0.1
105.65193	0.1
107.43738	0.1
110.03645	1.1
115.03890	0.2
136.01471	0.2
137.02339	1.8
137.03380	0.2
150.03085	0.2
153.00708	0.1
153.01837	1.9
159.04393	0.1
165.01784	0.2
167.03418	0.1
173.06000	0.1
193.01285	0.5
200.03270	0.1
200.04733	0.7
204.04169	0.7
215.03485	0.1
217.04984	0.2
218.05759	0.3
228.04158	3.4
229.04929	1.8
243.06389	0.1
245.04420	1.5
246.05168	0.4
256.03668	0.8
257.04431	1.6
258.04932	0.1
271.06000	0.2
273.03918	1.0
274.04703	6.3
275.05093	0.3
281.15280	0.1
284.03104	0.1
285.03922	1.7
286.04251	0.1
287.05524	0.3
289.07147	0.2
301.03427	13.9
302.04190	65.1
303.04550	3.6
313.03168	0.1
317.06537	100.0
318.06879	6.1
318.10703	0.2
359.07953	0.2
384.42157	0.1
397.22229	0.1
449.10773	29.5
450.11136	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	449.1082
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
54.92427	0.1
68.99780	0.2
69.27110	0.3
69.27515	0.6
77.35250	0.2
79.01863	0.2
79.29123	0.1
81.03395	0.1
81.25026	0.1
82.69107	0.2
107.01259	0.2
110.03659	1.0
121.02910	0.2
136.01607	0.2
137.02345	1.9
137.03313	0.3
143.03371	0.2
153.00671	0.3
153.01837	3.5
153.02933	0.1
158.26236	0.2
165.01810	0.2
189.54282	0.2
193.01340	0.2
200.04706	0.6
203.03523	0.2
204.04155	0.7
217.04962	0.3
228.04179	3.3
228.06288	0.2
229.04877	1.3
231.11533	0.2
245.04449	1.4
246.05276	0.3
256.03796	0.8
257.04459	1.2
273.04022	0.7
274.04733	5.2
275.05167	0.3
285.03940	1.3
287.05487	1.8
288.05865	0.2
301.03433	11.7
302.04208	54.3
303.04568	2.9
317.06555	100.0
318.06915	6.3
343.83890	0.2
393.03296	0.2
449.10809	0.3
449.17090	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	449.1082
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03441	0.4
65.87019	0.5
67.01871	0.8
67.05523	0.4
68.99804	0.5
69.03430	1.0
69.65184	1.1
69.65590	0.8
70.06593	0.4
71.05003	2.1
71.64578	0.4
79.01856	1.0
79.05505	0.7
81.07047	0.6
83.04992	0.3
85.02911	2.7
86.09714	1.0
89.40849	0.4
93.07027	0.7
95.08623	0.6
97.02898	0.6
98.23402	0.7
98.51714	0.4
98.97574	0.6
105.07056	1.1
107.04947	0.5
109.02840	0.4
109.10210	0.5
120.08101	0.8
121.02946	0.5
121.10175	0.6
125.02399	0.5
129.05469	0.4
133.10124	0.5
135.04449	1.9
137.02388	1.3
137.09550	0.4
143.03362	1.3
145.10123	0.5
153.01843	21.2
153.02916	1.0
154.02190	0.6
157.06441	0.4
157.10146	0.4
159.11659	0.4
163.11189	0.4
165.01871	0.5
169.05023	0.7
179.03435	0.5
181.04884	0.4
192.07622	0.4
193.05031	0.6
207.21045	0.4
217.15929	0.4
231.06493	0.7
233.15407	0.6
237.02844	0.5
241.04872	0.7
247.06174	0.4
269.04431	0.5
287.05515	100.0
288.05869	5.8
303.04984	7.2
317.02859	0.7
389.14584	0.5
424.21906	0.4
449.10724	14.0
449.17609	4.7
450.11127	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	449.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64739	0.2
55.01873	0.2
56.96568	7.8
68.99796	0.6
69.65049	0.7
70.06588	0.7
74.97606	0.3
79.01855	1.5
81.03409	0.5
83.97628	0.3
84.96042	0.3
86.09724	0.3
92.55735	0.2
96.14600	0.2
97.02884	0.3
105.07017	0.7
106.07353	0.2
107.01318	0.3
109.02881	0.3
120.93872	0.2
121.02909	0.4
122.09667	0.3
123.04374	0.2
125.02305	0.8
127.03895	0.2
129.07057	0.3
132.08073	0.7
132.65573	0.2
137.02350	2.6
137.03407	0.4
141.07011	0.2
143.03435	1.6
143.04420	0.2
143.38609	0.2
148.20427	0.2
149.02419	0.6
150.99112	0.2
153.01834	19.9
153.02927	1.3
154.02168	0.7
157.06499	0.5
161.06038	0.4
171.04485	0.3
173.05865	0.2
173.86246	0.2
174.02281	4.6
175.03976	0.3
175.07506	0.2
185.05995	0.9
188.03862	0.6
189.05479	0.5
190.01624	0.3
192.03310	7.5
200.00279	0.2
202.01772	0.4
203.07031	0.2
204.03300	0.5
206.04913	1.6
207.02055	0.5
208.02802	0.3
210.04382	1.2
213.05486	2.4
213.12389	0.4
215.04945	3.3
216.03650	0.2
217.06586	1.4
218.01309	0.2
219.05362	0.3
220.02820	1.1
222.04349	1.1
224.05948	0.2
225.03191	0.2
229.02858	0.4
231.04401	0.6
231.06552	0.9
233.06023	2.4
234.04411	0.5
235.07610	1.7
236.02295	0.4
237.06483	0.2
238.03871	0.4
241.04932	1.3
242.05756	0.3
243.04431	2.2
247.03865	0.8
249.05583	0.2
261.05478	19.8
262.05896	0.9
269.04517	0.3
279.06549	17.1
280.06879	0.8
284.06940	0.5
287.05496	100.0
288.05832	6.4
288.09070	0.4
302.08105	0.3
319.06000	4.4
319.09494	0.4
321.01801	0.2
337.07068	0.6
359.12836	0.4
373.10721	3.5
387.12405	0.2
391.11905	1.3
402.90439	0.2
413.10394	0.6
427.53296	0.2
449.10892	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	449.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06438	0.3
53.03946	1.2
55.05514	6.9
57.03439	0.3
57.07079	23.2
59.22298	0.3
65.03943	7.2
67.05505	3.8
69.07061	0.9
69.17337	2.1
70.57356	0.3
71.04993	1.4
79.05500	3.7
81.03415	2.0
81.07050	4.0
83.04982	69.4
83.08614	0.5
84.05311	1.2
85.06559	0.4
90.85746	0.4
91.05479	7.6
92.05849	0.4
93.07048	3.5
95.04966	1.8
95.08618	1.3
97.06523	1.0
97.10155	0.4
98.22519	0.3
98.98469	6.6
100.48286	0.3
105.07030	3.5
107.04956	1.4
107.08591	1.9
109.06532	0.5
109.10110	0.4
115.05460	2.3
117.07043	1.3
117.34599	0.3
119.08559	1.5
121.06528	0.7
121.10159	1.1
123.08067	0.3
128.06200	0.6
129.07022	2.6
131.08582	1.2
132.09358	0.5
133.00499	0.8
133.10123	1.1
135.08054	0.5
135.11687	1.2
141.06990	4.0
143.08537	0.4
145.06474	0.7
145.10147	0.9
147.08025	1.4
147.11688	3.9
149.13266	0.5
151.01556	9.1
155.08604	0.4
157.10172	0.5
159.08086	2.4
159.11644	0.4
161.13348	0.4
163.01572	5.5
165.08873	0.3
169.07634	2.3
169.10141	0.4
175.01550	9.2
181.02608	1.7
187.01559	1.9
188.66954	0.3
203.01094	0.4
211.05031	0.4
221.03607	0.6
227.04683	3.9
231.97997	0.3
239.04684	1.2
254.98187	1.2
257.05829	0.5
260.99222	2.9
284.43317	0.4
287.05472	1.4
337.02359	61.2
338.02707	2.1
355.03555	0.4
357.24213	1.0
378.04965	0.8
393.08612	100.0
394.08932	5.7
411.09726	0.4
431.27759	1.0
434.11371	2.0
449.14865	3.8
449.29202	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	449.1786
Annotation	Dichotosin
Peak:m/z	Relative Intensity
52.15390	0.2
56.15117	0.3
59.74646	0.3
64.74117	0.3
67.05471	0.5
69.07050	0.4
70.06570	0.4
70.07657	0.9
70.79398	0.3
79.05468	0.3
91.05437	0.4
92.78603	0.3
93.07025	0.6
95.08582	0.6
95.56381	0.3
97.81989	0.3
104.75981	0.3
106.84564	0.3
107.08508	0.5
119.08536	0.3
134.16153	0.3
136.97925	0.3
137.02347	0.4
138.05472	0.3
143.03397	0.3
153.01831	2.5
185.04211	0.9
189.47778	0.3
215.01402	0.3
241.04958	0.4
246.73906	0.3
257.11472	0.4
269.11523	0.5
285.55969	0.3
287.05600	23.3
287.12534	100.0
288.05847	1.3
288.12833	4.8
290.87579	0.3
297.20035	0.3
303.04962	0.6
356.69351	0.3
449.17880	34.5
450.18085	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	449.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01875	4.0
55.05521	17.2
57.03440	6.2
57.07072	4.8
67.05508	44.8
68.05830	3.2
69.03421	2.7
69.07076	16.0
71.05008	4.6
71.08636	36.5
79.05496	40.4
81.03413	6.1
81.07053	49.1
83.04985	11.8
83.08641	10.9
91.05480	29.1
93.07048	60.0
95.04984	10.3
95.08616	25.8
97.06533	10.9
97.10168	5.2
98.23363	6.4
98.98453	16.2
99.08083	26.4
105.07035	14.5
107.04950	6.0
107.08585	26.6
109.06554	2.9
109.10172	11.5
110.10530	2.9
111.08101	5.3
113.09692	4.1
117.07005	5.2
119.08594	16.2
121.10161	19.3
129.07101	3.4
131.08594	4.3
133.10114	7.7
135.11690	30.6
137.09610	3.9
145.10101	6.6
147.11659	4.3
149.13298	9.1
151.04811	3.5
151.11206	11.6
152.03250	3.6
153.01830	16.3
153.09113	2.5
155.01042	5.7
155.47881	2.4
157.10147	2.9
159.11667	5.0
161.13242	9.3
163.11186	6.5
165.12811	3.7
171.11754	4.2
173.02074	3.1
177.12828	4.4
179.14323	70.4
179.15564	2.6
213.05492	4.3
235.16956	4.3
259.20621	6.1
277.21588	43.6
287.05505	100.0
288.05728	5.4
320.82208	2.7
351.21088	1.6
351.25281	66.7
352.25592	8.5
449.29889	72.5
450.30093	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	449.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87773	2.8
53.03957	4.9
55.01876	3.5
55.05512	20.7
57.03428	8.2
57.07065	5.4
66.31963	3.1
67.05511	55.7
69.07073	15.5
70.76887	6.0
70.77232	3.3
71.08636	31.1
79.05498	42.9
81.03433	6.6
81.07064	56.6
83.04983	9.2
83.08628	10.4
85.06561	3.7
91.05486	28.3
93.07050	48.8
94.39165	2.6
95.04975	10.1
95.08624	30.1
97.06529	7.9
97.10188	7.0
97.43290	2.8
98.98476	31.6
99.08103	22.0
105.07043	17.4
107.04927	6.0
107.08595	24.9
109.10147	11.2
111.08121	4.2
113.09657	3.2
117.06988	4.6
119.08585	17.8
121.10155	23.3
123.11703	4.6
129.06941	2.6
131.08612	5.7
133.10126	12.6
135.11690	28.5
137.09599	3.9
141.09123	4.6
143.08658	4.3
143.68008	2.8
145.10135	6.4
147.11707	4.9
149.13275	10.6
151.11232	18.7
153.01836	14.0
155.01068	10.6
157.10144	2.8
159.11693	3.2
161.13239	16.5
163.11192	8.5
165.12753	5.5
171.11641	4.1
173.02139	3.1
177.12679	3.9
179.14330	67.8
180.14539	3.2
181.12242	3.5
259.20648	6.8
277.21637	43.4
287.05493	100.0
288.05789	3.6
309.24139	15.3
332.12979	2.6
351.25311	44.5
352.25693	3.7
431.22186	4.4
433.41724	3.2
449.28891	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	449.2534
Annotation	Ugaferin
Peak:m/z	Relative Intensity
55.01884	3.5
55.05513	5.7
67.05506	28.1
69.07070	3.9
71.30402	3.6
79.05502	14.8
81.03468	3.2
81.07055	26.1
86.09698	4.6
89.03928	3.7
91.05476	9.9
93.07050	13.1
95.08618	19.4
98.25608	3.0
105.07020	6.2
107.08593	4.5
109.10185	10.2
117.03338	4.9
118.53080	3.2
119.08541	4.3
120.31710	2.7
121.06507	3.4
121.10120	3.5
131.08586	3.2
133.10161	8.2
135.04425	8.5
135.11658	5.6
137.02312	3.7
137.94804	3.1
145.02863	5.6
147.11592	4.4
149.13379	4.4
153.01837	14.9
163.03908	38.2
165.12733	4.1
169.02003	2.8
181.05035	4.8
229.07660	3.4
250.66153	3.1
251.20012	5.7
269.52222	3.0
277.21646	4.6
287.05493	100.0
288.05780	8.9
322.05994	3.5
351.25461	6.2
431.28091	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	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03947	7.0
55.01866	3.4
55.05515	26.7
57.03442	14.8
57.07069	2.9
58.65655	0.9
59.05001	1.1
65.03945	4.2
67.05508	100.0
68.05833	2.4
69.03439	1.3
69.07072	31.8
71.01353	3.4
71.04996	8.3
71.06305	1.4
73.02915	0.9
79.05496	78.1
80.05830	2.3
81.03426	8.9
81.07059	89.3
82.07397	1.5
83.04986	15.7
83.08619	14.1
85.06547	8.1
91.05483	38.9
92.05803	1.9
93.07045	97.7
94.07391	2.5
95.04973	12.7
95.08609	25.1
97.06535	22.8
97.10170	10.1
99.04455	1.1
99.08079	3.8
105.04519	3.2
105.07040	14.3
107.04955	2.7
107.08597	54.2
108.08945	1.3
109.06525	4.4
109.10155	9.7
111.08084	6.8
112.59334	0.9
113.09695	1.3
115.05446	1.4
116.06170	0.9
117.07022	10.8
119.08582	9.7
121.06523	2.7
121.10146	21.2
121.11016	1.1
123.08096	1.2
123.11698	3.1
125.09647	2.1
128.06136	1.1
129.06999	2.7
131.08568	8.7
133.10147	9.6
135.08032	2.5
135.11697	56.9
136.12022	2.9
137.09642	1.7
139.11191	2.3
145.10132	10.1
146.10394	1.3
147.08122	1.2
147.11720	2.8
149.09595	1.2
149.13257	31.5
151.11179	1.7
153.01952	1.3
153.12770	2.2
157.10107	1.0
159.11707	13.3
163.11168	8.2
167.14365	1.8
171.11612	1.0
177.12767	8.0
179.14333	1.0
181.12225	8.7
193.12247	1.3
195.13803	13.3
199.13342	1.9
213.14871	2.0
237.14857	1.2
237.85620	0.8
251.16609	1.0
263.19528	1.0
269.17636	1.1
287.05533	4.0
304.59042	1.0
353.74292	0.9
431.28281	1.4
449.28983	67.7
450.29388	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	449.3627
Annotation	Numersterol A
Peak:m/z	Relative Intensity
50.05636	2.0
51.87280	2.1
53.03936	3.4
55.01891	2.4
55.05513	29.9
55.20327	1.8
56.57967	1.9
57.03441	2.8
57.07082	55.0
62.14453	2.0
65.03928	2.9
67.05505	22.5
68.99783	2.3
69.03411	2.8
69.06731	3.8
69.07072	47.1
70.79651	4.4
71.04951	2.1
71.08636	41.6
76.81187	1.9
79.05499	14.6
79.83756	2.1
81.07063	34.7
83.01336	2.8
83.04982	4.1
83.08625	33.1
85.02907	3.4
85.06558	3.5
85.10178	18.8
91.05469	9.9
93.07024	13.9
95.04958	6.1
95.08607	40.5
97.02901	2.4
97.06510	4.6
97.10175	20.7
99.04457	40.0
103.37202	2.0
105.07018	20.6
107.04973	4.0
107.08605	13.9
109.06516	18.8
109.10155	21.0
111.04446	30.8
111.08076	5.6
111.11739	8.9
112.25507	1.8
113.06022	16.9
117.06995	2.7
119.08597	16.2
121.06524	3.7
121.10134	7.7
123.04427	4.9
123.08061	12.0
123.11741	11.2
125.05994	67.6
125.13284	4.2
126.06335	2.6
131.08572	4.5
133.10123	8.0
135.04408	6.0
135.08078	8.1
135.11673	5.2
137.05957	12.4
137.09642	4.6
137.13213	3.7
139.07510	4.5
145.10094	3.7
147.08098	2.5
147.11661	9.5
149.05975	5.9
151.03909	8.2
151.07542	14.8
151.11124	2.1
151.14859	2.9
153.05447	6.6
159.11774	3.1
161.09613	4.1
161.13313	3.8
163.07555	26.8
163.11166	3.4
165.05479	5.2
165.09126	8.7
165.12901	2.5
167.07021	3.6
169.04951	7.7
171.11649	2.7
172.02234	2.2
173.09758	2.1
175.11215	5.3
175.14806	2.7
177.09087	5.1
179.10669	7.3
179.14494	2.1
181.08604	2.8
183.06592	6.3
189.09120	3.0
189.12721	5.1
191.10687	5.2
193.12285	5.8
201.09232	2.6
202.09843	3.5
203.10695	2.9
205.12291	3.7
207.10143	2.6
207.13814	2.6
217.12256	7.3
219.18654	2.5
235.13283	4.1
249.18497	2.4
277.21729	3.2
301.28931	11.9
319.29919	10.0
331.29977	4.4
333.31509	4.7
359.29590	3.8
361.34836	3.3
371.33029	2.4
385.34708	6.9
389.34259	10.4
403.35724	100.0
404.36069	6.2
413.33972	13.9
431.35220	66.6
432.35550	7.2
449.30078	4.7
449.36230	69.0
450.36371	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	450.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98576	0.5
56.05030	1.1
56.25174	0.4
64.26128	0.4
69.03428	1.5
70.06577	0.5
71.28262	0.4
72.08146	0.5
73.02913	0.9
74.06087	0.9
78.78970	0.6
81.03442	0.6
81.07069	0.6
81.08544	0.5
85.02917	1.3
86.09705	1.2
89.03915	1.2
90.04270	0.8
91.05449	0.5
93.07048	0.6
94.31205	0.5
95.08639	0.9
97.02879	1.0
105.07032	0.7
109.02934	0.6
110.09692	0.8
115.03917	1.0
117.03413	3.4
118.03723	2.1
120.08131	0.6
121.02856	0.6
121.06532	1.5
127.03930	0.7
127.08675	0.6
132.37004	0.4
134.03674	0.5
136.03932	1.2
139.03951	0.8
145.02863	6.8
146.03162	4.2
149.06013	0.8
150.06322	0.8
153.01833	3.5
154.02165	0.8
155.11780	1.0
159.99042	0.5
161.13342	0.5
163.49329	0.4
167.01642	0.7
167.07011	0.5
177.05476	11.5
178.05824	9.0
219.11581	2.3
242.23712	0.5
245.55170	0.4
247.11180	0.6
273.09116	0.6
274.09442	0.8
287.05511	1.9
288.05817	2.1
295.06393	0.5
317.08411	4.7
344.09555	1.2
450.13733	100.0
451.14163	6.9
451.19974	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
53.35089	1.1
55.01851	1.7
57.03429	4.2
59.63567	0.9
60.04229	1.0
60.52002	0.9
61.02926	7.1
61.13828	1.0
61.99903	0.9
65.03925	2.3
67.77881	0.9
69.03431	11.9
70.69461	2.4
71.04974	1.1
73.02923	3.1
81.03426	3.9
85.02909	55.8
87.04464	1.5
91.03946	4.1
91.05486	100.0
92.05807	2.4
96.55238	1.2
97.02898	31.1
99.04445	2.5
105.07063	1.1
109.02891	5.0
115.03945	2.6
117.07002	1.7
120.08125	1.7
127.03922	15.5
129.06964	1.1
136.03964	1.8
139.03955	2.1
140.05330	1.7
142.03160	1.3
145.03871	1.9
145.04968	27.2
153.01843	8.1
153.02895	1.6
153.05492	1.2
154.02185	2.8
157.06487	1.6
161.04459	3.1
161.05904	1.0
163.06041	11.2
169.06551	1.0
200.07388	2.8
217.08603	2.0
235.09587	2.0
243.08018	1.5
253.10716	3.0
287.05466	2.5
288.05920	8.1
303.10114	4.4
349.00037	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	450.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05495	0.8
67.05505	1.9
69.07072	0.7
70.85519	1.0
75.57013	0.5
79.05505	2.5
81.03417	0.9
81.07072	2.5
86.70178	0.5
90.04732	0.7
91.05486	3.8
92.05820	0.6
93.07043	1.7
95.04949	0.9
95.08607	0.8
103.05445	0.9
103.65416	0.5
105.07034	2.1
107.04964	6.0
107.08590	1.1
108.05750	3.4
109.06501	0.7
117.07041	0.9
118.04168	0.6
119.08617	1.0
121.06490	1.6
123.08079	0.7
125.82027	0.5
131.04987	1.7
131.08578	0.9
133.06511	1.5
133.10165	0.8
135.04410	2.0
135.07999	0.8
136.05226	5.8
137.05989	2.5
143.08444	0.6
145.06470	1.2
146.07281	0.8
147.08072	4.6
150.06757	1.2
151.07550	100.0
152.07893	3.2
159.08067	1.0
160.08824	0.8
161.05954	0.7
161.09705	1.3
162.06639	0.7
163.07561	3.2
164.08475	0.7
165.09126	8.0
169.32448	0.5
171.08138	0.8
173.06073	0.7
173.13303	0.7
175.07520	0.8
176.08356	1.4
177.09135	7.5
178.09554	0.7
179.10677	0.8
187.07513	0.7
188.08324	1.3
189.09076	3.0
191.10652	2.7
201.09105	0.7
202.09932	1.0
203.10646	2.8
217.12270	4.2
272.24911	0.5
288.05768	0.5
323.16461	0.9
340.16699	13.1
341.17078	0.7
355.19012	11.8
356.19409	1.8
363.58154	0.5
373.20157	0.8
450.29074	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	451.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
56.29740	0.7
57.03445	7.0
59.37495	0.7
61.02920	1.5
68.99786	1.4
69.03423	1.1
69.17072	5.2
69.47829	0.7
70.06586	1.0
73.02922	13.2
74.11816	0.7
79.01857	1.1
81.03413	1.5
81.07034	1.0
85.02909	1.2
86.09708	2.3
97.02907	0.8
98.22636	1.4
109.02917	1.7
109.06487	0.9
111.00770	2.1
117.03370	0.9
120.08099	1.8
125.02365	1.0
127.03892	1.6
137.02368	5.8
143.03413	0.9
145.02879	2.0
147.04504	1.1
153.01834	24.0
154.02162	1.0
155.02319	1.3
163.03937	0.9
165.01860	3.6
170.88301	0.8
175.03915	0.8
177.05492	3.2
178.05815	1.5
179.03398	1.9
183.02913	1.5
195.02773	1.2
199.86867	0.7
217.04953	2.7
235.02541	0.8
236.89249	0.7
245.04480	5.7
255.03015	0.7
269.79285	0.8
272.25336	0.8
273.03995	5.8
287.05551	3.1
288.05777	2.9
289.06113	5.5
289.10764	4.1
290.04221	1.5
299.67941	0.7
301.03415	1.8
301.06583	0.9
319.04486	100.0
320.04843	5.4
329.02844	1.3
361.05545	1.4
415.06766	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	451.0872
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
55.01871	3.0
57.03447	3.5
59.94501	0.7
61.02933	1.1
68.99802	1.7
69.03432	2.3
69.60381	3.1
71.01350	0.8
73.02914	1.8
80.75555	0.7
85.02911	2.3
93.07038	1.2
97.02923	1.0
98.23354	1.0
109.02900	2.2
109.81982	0.7
111.00815	2.6
115.03939	1.2
133.05019	1.6
137.02354	3.4
137.05962	1.6
139.03816	1.1
147.04439	1.7
151.03978	1.1
151.30168	0.8
153.01839	15.2
153.02939	0.6
165.01849	5.1
175.04060	0.8
177.05443	1.1
179.03481	1.6
183.02922	0.8
183.18138	0.8
189.05482	1.4
195.02931	1.1
207.02914	0.8
217.05019	4.9
219.02800	0.8
244.03842	0.9
245.04425	7.1
255.02975	1.1
263.05627	1.0
273.03958	6.4
287.05627	1.0
288.05820	1.3
289.06235	0.9
290.04248	1.7
301.03452	1.7
305.22006	0.8
319.04486	100.0
320.04779	4.7
329.02969	1.8
331.04404	2.6
343.04565	1.3
357.05829	0.8
361.05530	1.5
385.05463	1.7
388.73782	0.9
415.06036	1.2
451.19394	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	451.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
53.53508	2.6
55.05516	3.2
56.96571	8.1
60.08190	4.2
67.05513	10.4
68.99802	5.8
69.03439	5.6
69.07058	3.3
69.36743	16.9
70.06575	2.6
71.57642	2.6
79.05500	17.2
81.03428	9.7
81.07068	8.2
84.96053	3.1
85.02924	10.0
86.09729	5.6
87.00851	3.3
91.05490	16.6
93.07050	44.6
95.04996	10.1
95.08619	8.6
97.02895	6.1
98.97603	15.7
103.97444	2.8
104.10750	7.9
105.03404	8.0
105.07050	15.9
107.08591	9.7
109.02877	5.1
109.10162	9.3
110.97606	7.5
115.05477	3.1
116.98675	9.3
117.07007	5.3
119.08588	9.7
120.08126	3.4
121.06478	4.7
121.10147	37.6
123.04434	49.8
123.11736	3.8
125.05954	2.9
125.09549	2.9
127.03923	4.3
128.98616	5.4
131.08575	8.4
133.06488	4.2
133.10110	6.5
134.14250	2.9
134.99663	6.5
137.06013	7.7
139.03978	7.2
141.05478	19.1
145.10120	7.4
147.04413	5.6
149.05992	4.0
149.09651	5.0
151.03954	5.3
153.05473	100.0
157.10202	3.3
161.05989	22.7
161.13359	3.6
165.05502	9.4
175.14990	2.8
177.05481	28.7
179.07103	3.5
183.06471	4.2
184.07368	8.1
187.07610	4.2
191.07062	13.5
195.06514	6.1
201.00751	3.6
203.07002	5.0
205.82549	2.9
207.06625	3.0
215.07063	4.4
216.53096	2.7
219.01784	5.3
219.06531	12.6
224.03510	4.1
231.06586	6.5
237.02791	17.2
243.06575	5.7
261.07614	8.6
261.14798	5.3
273.07599	3.2
287.05383	4.3
288.05710	4.1
289.06058	5.0
289.14001	5.3
301.47333	3.2
307.45285	3.0
365.08914	6.4
383.10110	14.3
397.16373	4.8
407.11124	6.2
425.21710	3.0
451.10052	48.3
451.23441	38.0
451.28888	6.0
452.23892	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	451.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78959	3.2
55.05508	3.4
56.96564	7.3
59.11569	4.5
61.02935	4.0
67.05499	4.8
69.03427	13.6
70.06592	5.4
71.30322	4.0
71.63811	3.6
73.98277	4.1
78.00096	3.3
81.07053	6.6
81.87173	3.8
85.02918	24.3
86.09712	6.2
90.85385	3.5
91.05471	13.5
93.07030	4.5
95.04968	4.5
95.08624	4.0
97.02889	10.4
97.10085	3.8
98.97594	17.3
104.10755	6.5
107.04979	4.5
107.08613	5.3
109.02841	3.6
109.10094	5.0
110.97603	7.7
116.98615	9.5
119.04958	10.1
119.08696	4.8
121.06495	3.6
123.04458	4.8
127.03876	4.6
128.98622	8.1
134.65047	3.6
134.99637	4.6
137.05981	8.1
145.04834	3.5
147.04430	34.7
153.01860	17.0
169.01338	77.0
170.21848	3.5
177.00754	4.6
177.05496	3.2
184.07327	11.5
219.01747	9.4
224.03749	3.9
237.02831	24.9
281.07010	4.6
281.66718	3.6
287.05722	6.2
288.05844	4.7
289.07080	100.0
289.14175	5.9
290.07346	4.7
328.98318	3.9
365.08929	8.1
383.10217	12.5
449.59088	4.3
451.09885	33.9
451.17471	19.9
451.23511	6.1
451.28760	6.7
452.10272	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	451.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43422	1.6
53.03941	6.7
55.05515	14.6
57.07082	25.5
57.70940	1.4
64.97970	1.7
67.05505	6.4
70.06583	2.1
71.04996	15.9
75.00016	3.9
76.44489	1.3
77.03957	1.5
81.07057	3.7
82.98997	10.6
83.04987	55.5
83.62962	1.5
85.12429	1.6
91.05485	5.6
93.07048	2.6
95.04952	3.5
98.22640	3.8
98.98483	2.7
101.06053	4.3
101.13097	1.3
105.07042	2.8
117.01045	31.1
119.08551	1.9
121.10147	1.6
125.29120	1.5
128.06171	2.3
129.07004	3.8
133.89174	1.4
135.02069	10.1
147.02068	12.9
147.08072	2.3
147.11725	5.4
165.03137	36.7
175.01564	100.0
181.02637	11.7
191.95290	1.3
193.02652	2.2
213.55301	1.4
227.04689	6.9
231.07848	8.7
238.67175	1.4
267.79620	1.5
275.06815	13.2
291.96359	1.5
313.11862	6.7
321.02859	6.3
328.19205	1.7
331.13046	59.4
332.13361	3.8
339.03842	7.5
344.31781	2.8
369.18262	4.8
377.09113	19.3
387.19336	39.7
388.19821	2.8
395.10190	59.0
396.10471	2.1
433.15469	33.2
434.15396	1.8
450.37869	6.0
451.16501	53.8
451.38309	5.5
452.16928	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	451.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01871	1.2
55.05499	1.1
55.88835	0.5
57.03433	0.7
65.03943	0.8
67.05511	2.9
69.03426	3.8
69.07061	0.6
72.08143	1.2
79.05496	6.0
81.03423	4.1
81.07080	3.3
85.02906	5.6
86.09685	0.8
91.05505	3.8
93.03440	0.9
93.07050	12.8
95.04969	1.9
95.08605	1.9
97.02869	0.7
97.06551	3.3
103.05481	0.6
103.17373	0.5
105.07014	2.7
107.04954	1.2
107.08582	2.3
109.02884	2.5
109.06535	0.7
109.10157	3.7
110.03687	1.0
111.04402	1.2
115.05467	1.4
117.07059	0.9
119.04942	1.5
119.08588	2.6
121.06475	1.2
121.10159	12.6
123.11743	0.9
125.05161	0.4
125.05994	10.8
127.03921	1.1
131.08517	0.7
133.02861	1.3
133.06493	0.9
137.05986	2.1
137.09625	1.5
138.03133	1.6
147.04427	5.4
147.08112	0.8
149.09633	4.7
153.05475	100.0
154.05806	2.8
159.04456	0.6
161.06013	2.9
163.03952	0.8
165.05511	2.3
167.03391	2.0
167.07043	1.2
167.10709	1.5
173.05991	0.8
173.09520	0.5
175.03928	0.6
175.07542	1.1
176.04686	1.0
177.05450	4.3
184.07352	2.4
191.07036	8.1
193.05009	1.2
193.08646	8.0
195.33553	0.5
195.47780	0.5
201.09151	1.2
203.07019	2.1
205.08636	1.8
207.06500	2.8
218.05840	0.7
219.06575	1.9
229.12265	1.0
231.06555	4.8
231.10231	1.4
233.08098	2.3
233.11696	2.7
239.10526	0.7
247.06044	0.8
249.07599	0.7
257.11722	0.9
261.07657	0.7
261.14865	4.2
271.13284	2.4
281.13953	3.2
281.16843	0.6
289.14359	7.5
290.14746	0.8
433.18744	1.0
451.19458	2.9
452.25262	1.9
471.20020	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	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.1
55.01885	17.2
55.05516	21.2
57.03427	14.8
57.07067	12.2
59.21302	3.0
61.02919	10.4
67.05507	35.7
68.99790	8.8
69.03436	49.0
69.07077	24.2
69.14667	23.0
71.01373	3.6
71.05003	21.9
73.02899	8.1
79.05485	19.6
81.03416	31.3
81.07066	49.0
83.04980	13.4
83.08611	9.0
85.02908	61.1
87.00832	37.4
87.04470	5.8
90.17290	2.9
91.05485	35.4
93.07053	44.0
95.04986	16.5
95.08614	45.0
97.02911	29.3
97.06540	5.6
99.04454	10.4
99.08103	4.2
103.03951	10.8
105.01866	15.5
105.07031	57.7
107.04933	9.0
107.08603	39.1
109.02875	19.4
109.06518	11.7
109.10168	36.2
111.04491	7.7
113.02395	3.6
115.03931	14.9
117.07008	11.7
119.08581	62.5
121.06490	15.0
121.10175	25.7
123.04420	8.9
123.08085	10.9
123.11709	20.6
125.06003	5.1
125.09622	6.4
127.03933	27.0
127.11214	4.8
128.06212	6.8
129.01842	11.3
129.06987	14.1
130.07802	8.4
131.08571	36.9
133.06509	6.8
133.10139	42.4
135.04436	5.4
135.08040	9.3
135.11705	16.5
137.09647	8.0
141.06960	6.3
142.07800	9.6
143.08598	25.9
144.09378	6.5
145.04944	4.6
145.06451	9.0
145.10135	72.2
147.02834	4.8
147.08015	8.1
147.11687	38.8
149.09576	7.9
149.13248	10.5
151.07545	5.6
154.07820	3.2
155.08585	8.2
156.09329	11.7
157.10123	32.1
158.10901	7.6
159.02954	15.9
159.08028	7.8
159.11700	70.4
161.09624	12.8
161.13268	20.6
163.04008	3.1
163.11124	7.5
165.07027	5.4
165.09091	3.5
167.08572	4.5
169.10103	14.8
170.10823	3.6
171.08060	7.1
171.11682	29.2
172.12314	3.7
173.09641	10.6
173.13274	25.5
175.01573	5.7
175.11214	12.3
175.14847	11.4
177.09085	4.2
181.10101	6.2
182.10719	3.5
183.11687	13.2
185.09622	6.8
185.13258	19.1
187.11221	9.3
187.14819	28.3
189.03975	7.5
189.09119	6.7
189.12749	11.0
189.16386	67.6
191.10684	4.7
191.14400	4.6
195.11682	7.6
197.13249	12.5
199.11154	3.7
199.14876	7.3
201.03946	5.6
201.12756	7.5
201.16365	36.5
203.14238	5.5
203.17973	11.1
207.11688	6.7
209.13394	6.5
211.14781	4.2
213.12729	4.2
213.16423	12.2
215.14264	4.3
215.17998	12.8
225.12755	11.6
227.17947	10.1
231.17461	14.4
233.19005	5.5
239.17969	7.0
241.15941	7.4
243.13780	13.0
243.17482	4.9
245.18994	9.7
257.18982	6.6
259.16898	4.0
261.18466	3.6
269.19324	3.5
273.18411	3.8
275.20059	4.1
283.20590	5.3
287.20123	7.4
293.19046	8.6
311.20020	22.3
329.21130	17.5
347.14902	6.4
347.22421	6.1
365.15811	3.6
365.23456	7.6
395.10251	4.8
407.24219	10.8
415.20975	8.7
422.50684	4.0
433.22064	17.5
447.06271	3.7
451.23065	100.0
452.23834	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	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.8
54.17879	6.7
55.01870	17.2
55.05511	26.9
57.03435	13.4
57.07080	8.7
61.02932	13.9
67.05499	40.6
68.99797	12.7
69.03433	78.1
69.07091	32.7
71.04652	5.4
71.04981	35.7
73.02928	7.1
79.05500	28.2
81.03419	48.3
81.07071	57.5
83.04984	16.6
83.08644	7.5
85.02918	72.9
87.00839	42.8
91.05501	38.2
93.07057	48.9
95.04968	21.4
95.08613	87.6
97.02911	42.1
97.06548	11.2
97.10194	7.0
99.04469	19.1
103.03949	12.3
105.01878	23.2
105.07038	89.5
107.04901	9.4
107.08611	53.5
109.02891	32.3
109.06539	13.0
109.10176	43.6
111.04436	17.7
115.03925	16.3
117.07049	19.3
119.08580	100.0
121.06520	11.8
121.10148	43.2
123.04419	7.2
123.08069	8.1
123.11720	24.4
125.06026	9.4
127.03924	36.2
127.11208	8.0
129.01823	6.9
129.07010	13.6
130.07840	9.0
131.08594	44.8
133.06563	8.7
133.10135	61.7
135.08054	13.4
135.11717	18.1
137.09668	6.7
140.92986	5.6
141.06937	7.2
142.07709	6.7
143.08557	28.0
145.10117	85.4
147.02945	7.1
147.11719	48.9
149.09641	8.1
149.13278	18.2
151.49933	6.3
155.08575	19.9
156.09341	12.4
157.10132	43.3
159.02893	14.6
159.08063	9.3
159.11705	85.4
160.12051	6.8
161.09596	12.6
161.13272	31.1
167.08559	10.8
169.10156	22.2
171.08070	9.9
171.11699	32.2
173.09723	10.7
173.13306	37.9
175.11194	12.2
175.14790	13.9
177.16457	6.0
182.10948	7.4
183.11728	23.9
185.09569	8.9
185.13303	16.5
187.11269	10.5
187.14783	44.3
189.04033	11.1
189.12823	8.5
189.16415	59.4
192.09427	7.4
195.11736	10.9
197.13309	23.8
199.11217	8.4
199.14822	12.2
201.04027	9.3
201.16399	44.4
203.17981	29.4
207.11824	11.2
209.13300	14.8
213.12823	11.0
213.16377	26.6
215.17963	25.2
219.17404	8.4
223.14870	9.6
225.12830	23.9
225.16432	13.0
227.17937	9.3
229.15935	6.9
231.17493	13.1
243.13872	10.3
243.17377	10.6
245.19131	15.1
257.19073	7.7
265.19675	6.8
289.14185	13.9
293.18961	11.4
311.20056	33.7
329.21088	22.7
347.22256	6.4
415.20914	12.8
433.22354	36.8
451.17874	9.4
451.23404	99.1
451.28821	11.0
452.23627	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	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.2
55.05518	8.8
57.07083	13.4
67.05498	30.0
69.03445	11.0
69.07058	9.3
71.05012	9.3
79.05499	28.3
81.07063	47.1
83.05016	12.0
83.08636	14.6
85.06563	11.2
91.05482	50.4
93.07052	38.7
95.04961	29.4
95.08601	38.9
95.57195	4.8
97.06563	8.7
105.07037	60.4
107.08598	38.0
109.06513	93.6
109.10175	17.4
111.08125	9.3
115.05449	9.9
117.07016	20.0
119.08579	60.1
121.06524	19.0
121.10157	29.9
123.08067	46.9
125.09608	6.1
128.06219	11.2
129.07016	18.8
131.08585	47.1
133.06497	15.1
133.10136	42.4
135.08040	27.1
135.11740	9.3
137.05995	4.9
137.09645	15.4
141.07001	12.6
142.07788	19.7
143.08549	43.0
145.10133	51.2
147.08067	33.5
147.11690	18.5
149.09659	31.7
149.10739	5.1
151.07538	70.2
153.06963	8.5
153.09041	6.0
154.07816	10.5
155.08588	22.1
156.09343	12.3
157.10147	56.8
159.08055	25.0
159.11684	27.1
161.09647	14.9
163.11148	7.0
165.07031	8.0
165.09116	26.0
166.07777	9.7
167.08539	11.1
168.09343	8.5
169.10147	23.1
169.42479	4.9
170.10890	5.4
171.08090	5.6
171.11739	31.7
173.09619	34.9
173.13257	12.8
174.10422	8.7
175.11169	42.7
177.09140	12.3
179.08551	11.4
181.10130	25.0
181.12158	7.2
182.10867	8.2
183.11722	38.6
184.08795	6.5
185.09589	33.2
185.13191	12.8
187.11179	13.4
187.14906	7.0
189.12724	32.0
191.10703	7.6
193.10213	7.1
194.10876	7.8
195.11717	17.6
196.12202	5.8
197.13208	9.2
199.11136	28.7
201.12791	18.5
203.14334	11.1
207.11806	14.0
207.13860	31.7
209.13406	10.2
209.15370	11.1
211.14883	15.4
213.12724	15.5
217.12244	32.8
219.11610	5.5
221.15314	46.0
225.12793	19.0
227.14470	7.3
229.16029	7.3
233.15303	6.7
235.14902	10.4
243.13815	55.3
253.15897	11.2
271.16980	10.8
287.20010	6.7
303.19513	11.7
433.27225	25.9
451.28278	100.0
452.28342	10.7
465.29608	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	451.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35963	4.4
53.03954	5.5
55.05513	15.2
57.03442	5.8
57.07085	11.5
59.05003	5.4
61.75480	4.1
67.05154	5.2
67.05508	17.7
69.03389	20.9
69.03772	18.8
69.07060	8.3
71.04999	9.8
79.05517	20.3
79.05904	4.0
81.07076	37.9
83.04998	8.1
83.08621	5.5
85.06541	5.9
91.05481	35.9
93.07047	37.0
95.04972	26.9
95.08617	27.3
97.06532	6.8
105.07043	55.6
107.08613	31.1
109.06530	69.3
109.10159	25.1
111.08085	9.1
115.05445	4.6
116.06260	5.2
117.07032	14.8
119.08572	55.0
121.06479	10.8
121.10163	28.2
123.08070	48.6
125.05997	6.4
128.06242	11.9
129.07088	19.6
131.08577	58.1
133.06502	7.3
133.10153	35.4
135.08067	32.0
135.11739	8.6
137.05988	5.3
137.09633	22.4
141.07021	9.4
142.07791	24.6
143.08585	46.9
145.06519	6.4
145.10144	42.1
147.08070	52.7
147.11702	15.6
149.09647	23.8
151.07578	54.2
153.09155	8.2
155.08591	17.2
156.09340	12.6
157.10127	53.5
158.07359	4.1
159.08046	24.1
159.11749	13.7
160.08858	5.7
161.09650	17.8
161.13277	12.1
163.11229	8.7
165.07045	8.0
165.09126	47.2
166.07782	6.6
167.07162	5.8
167.08597	10.1
168.09338	9.8
169.10152	23.6
170.10934	6.4
171.08038	3.9
171.11700	27.0
173.09657	32.6
173.13309	8.6
174.10387	6.9
175.11198	78.1
177.09120	6.5
179.08638	6.2
181.10182	14.2
181.12250	8.3
182.10803	8.3
183.11626	24.7
184.08855	5.6
185.09665	18.2
185.13298	12.7
187.11299	9.4
187.14859	11.8
189.09116	5.3
189.12740	32.1
191.10693	9.6
192.09409	4.0
193.10168	6.6
194.10783	5.4
195.11754	14.2
197.09715	6.9
197.13315	8.5
199.11276	25.6
201.12825	12.3
203.14250	19.0
206.11003	4.8
207.11711	11.8
207.13835	30.1
209.13232	17.0
209.15428	12.3
211.11296	7.9
211.14825	11.5
213.12787	14.4
215.10793	4.7
215.14365	8.6
217.12263	75.6
220.12405	5.4
221.13306	8.3
221.15327	82.1
222.15869	4.2
225.12808	8.4
227.14359	6.5
229.15955	7.4
231.13748	4.7
233.13277	6.9
235.14970	7.0
237.16226	5.1
239.14270	6.5
241.12285	7.2
243.13850	29.6
247.16948	12.6
251.14311	7.5
253.15939	7.6
267.17776	4.5
271.16974	8.5
295.16895	4.9
303.19568	24.4
315.19836	11.1
395.22260	5.3
415.26477	8.0
425.32205	4.5
433.27527	29.6
451.28363	100.0
452.28653	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	451.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57914	0.3
55.05507	0.8
58.99853	1.3
65.39803	0.3
67.05514	2.2
69.07076	0.6
71.29143	0.4
77.00912	6.4
79.05484	1.3
81.03400	0.5
81.07053	2.5
83.05005	0.3
83.08614	0.7
91.05491	1.1
93.07029	1.0
95.01382	0.4
95.01949	5.8
95.04982	0.5
95.08591	1.4
97.10141	0.3
100.02458	0.4
105.07029	0.6
107.08609	0.6
109.10162	0.5
119.08582	0.5
121.10073	0.4
123.11691	0.7
131.02002	0.3
131.08566	0.5
131.63925	0.3
133.03525	0.3
133.10153	0.4
145.10063	0.4
157.84380	0.3
183.12296	0.9
207.12178	0.8
209.13881	0.4
211.15474	0.8
213.09718	0.7
217.10712	0.8
219.12241	3.1
225.13359	2.3
233.10086	0.5
235.11760	1.7
237.13353	47.0
238.13504	3.7
243.14432	14.1
243.17076	0.4
244.14568	1.0
245.29565	0.4
253.12840	1.6
255.14418	100.0
256.14648	7.5
257.14902	0.4
260.14896	2.1
261.15442	2.8
266.15872	0.5
271.13699	0.3
273.15475	12.8
274.15689	1.0
278.16022	4.6
279.16238	0.6
291.62973	0.4
295.54956	0.3
296.17163	0.4
421.28125	0.5
451.22971	4.4
451.28964	23.0
452.29333	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	452.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	78.9
62.57693	2.4
63.63369	2.5
70.61899	5.8
84.96033	24.4
89.03915	3.9
97.02887	3.0
98.97591	19.1
103.08876	3.8
105.07030	64.4
106.07348	3.3
107.04971	3.4
110.97590	8.8
116.98654	13.4
117.03369	6.8
121.06481	16.3
122.09674	32.9
124.99178	2.6
128.98595	11.3
132.98160	2.8
134.99632	3.9
135.04414	10.8
138.05487	5.4
140.98570	2.8
143.00200	5.2
144.98065	4.6
145.02852	7.9
146.99640	8.4
148.11189	3.5
153.01874	13.6
158.99690	5.3
161.01196	3.2
162.99246	3.3
163.03920	46.7
169.00198	3.7
174.07471	2.7
175.00690	4.3
177.00787	3.0
191.00154	4.3
193.01762	11.3
200.98657	4.7
205.01778	7.0
209.01257	9.4
211.02768	8.5
218.99628	17.2
221.01237	7.7
223.02855	11.4
225.00667	3.3
233.01286	5.6
237.00696	100.0
238.01051	4.7
249.00836	3.7
251.02243	16.3
255.01759	97.6
256.02283	4.6
269.03345	31.7
273.02832	85.7
279.01816	9.0
287.04398	10.7
291.01611	4.2
293.03461	14.2
295.01291	5.1
297.02835	45.2
305.03317	2.8
307.01273	3.3
311.04324	12.8
313.02213	6.9
315.03918	10.8
321.02847	16.9
325.02350	5.4
337.02426	6.0
339.03806	17.7
355.03329	11.1
367.03433	11.3
383.02765	3.0
385.04465	22.5
393.01367	4.7
407.00360	5.3
411.02567	8.0
429.03259	15.5
447.04623	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	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06453	3.8
57.03440	27.8
60.05626	3.8
61.02924	6.7
66.09774	3.3
69.03432	96.6
73.02564	3.8
73.02898	23.0
79.64090	3.4
81.03423	6.0
85.02909	83.0
87.04469	66.3
97.02883	77.7
98.22614	11.7
103.05497	4.2
105.03434	4.1
109.02887	56.2
110.57857	4.3
115.03929	87.4
121.06525	9.9
123.04451	7.0
127.03912	13.2
132.04425	3.7
133.02863	24.5
133.04971	100.0
137.06036	5.7
139.03929	7.5
141.05467	49.6
145.04939	12.1
147.04454	5.9
150.07628	16.8
153.01846	7.0
154.02193	3.7
156.65804	3.9
165.05482	29.6
168.99577	6.2
177.05501	16.0
183.06471	6.1
201.02171	31.8
207.06589	9.6
219.06633	18.2
237.07487	18.0
267.08743	7.7
290.06796	9.7
353.84482	4.8
365.39136	3.9
383.08691	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	452.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42882	0.4
53.03958	0.4
57.03423	0.5
67.05517	0.7
67.58488	0.4
69.05771	1.1
69.06193	2.5
75.22990	0.4
77.03948	0.4
79.05493	2.5
81.03423	0.9
81.07032	0.8
88.10522	0.4
91.05502	1.2
93.07034	2.1
95.04963	0.7
95.08588	0.5
98.22580	0.5
105.07031	0.5
106.06557	100.0
107.06892	2.5
118.06507	0.7
120.08105	0.6
121.06467	0.5
121.10125	2.3
130.06429	0.5
147.04482	0.9
181.29593	0.4
188.80870	0.4
256.07944	0.4
284.97192	0.5
290.14450	0.8
448.60455	0.4
453.24942	1.0
473.63461	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	452.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
59.63870	0.3
65.03937	1.4
69.26118	0.4
69.26525	0.9
70.06553	0.3
72.08159	22.5
73.08523	0.3
81.07043	0.3
84.08145	0.3
87.58432	0.3
89.10793	2.0
91.05482	10.1
93.07058	0.2
98.06025	0.4
119.04948	26.6
120.04462	1.5
120.05286	0.7
121.06517	1.1
126.12801	7.6
126.13734	0.5
143.15450	2.3
147.04411	100.0
147.90596	0.2
148.04745	2.9
169.13393	0.6
175.26411	0.2
183.04277	0.2
186.15997	0.3
190.70659	0.3
201.88242	0.2
213.14104	0.2
217.13478	0.4
218.11771	12.5
219.12149	0.6
225.77977	0.3
234.40495	0.2
235.14427	2.8
288.20752	0.4
289.15765	0.4
289.19089	8.9
290.19489	0.4
290.85989	0.3
306.21738	9.1
306.25327	0.5
307.22125	0.6
320.04715	0.4
332.19717	0.8
340.58374	0.3
452.25473	53.8
453.20102	0.4
453.25851	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	452.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52108	0.2
55.05500	0.4
63.02371	0.3
65.03938	1.1
66.27199	0.2
69.63378	0.3
69.63735	1.0
72.08160	26.5
73.08499	0.5
84.08150	0.3
89.10806	2.6
91.05485	12.1
92.27363	0.2
95.04977	0.3
98.06049	0.4
107.08614	0.3
109.02842	0.2
115.08681	0.3
115.84532	0.2
119.04945	29.8
120.05299	0.7
126.12796	9.5
143.15419	3.0
147.04411	100.0
148.04727	3.6
160.18105	0.7
168.14653	0.2
169.13347	1.2
186.15981	0.6
217.13403	0.3
218.11765	9.8
219.12061	0.5
235.14430	3.0
288.20795	0.7
289.19101	10.1
290.19464	0.5
306.21768	10.9
307.22064	0.8
324.40347	0.3
332.19608	0.5
452.25473	56.9
453.25800	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	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83377	45.3
53.13294	38.2
57.07053	47.4
62.58495	40.6
67.05499	63.9
70.26527	100.0
77.32086	42.6
79.05472	41.1
81.07059	93.6
87.75806	34.3
89.06045	69.8
95.08620	66.0
98.98494	57.4
105.07086	36.1
109.90398	32.7
133.08517	49.7
154.41325	45.1
155.01010	52.8
248.77249	40.7
337.27209	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.1
57.03439	9.9
57.07076	6.2
57.85354	0.6
61.47293	0.6
67.05509	13.8
69.07069	22.0
69.59892	3.0
71.04984	1.0
71.08626	3.1
74.06557	0.6
74.30312	0.6
79.05496	6.1
81.07056	14.4
83.04997	0.9
83.08615	13.5
85.10192	1.2
91.05469	1.2
93.07050	8.4
95.08618	10.0
97.06538	3.4
97.10175	7.9
98.23299	0.8
107.08614	4.2
109.10152	3.9
111.08097	1.4
111.11710	2.7
117.26610	0.7
121.10152	7.4
123.11713	1.1
125.09604	1.1
135.11726	5.4
137.13269	1.7
139.11176	1.2
149.13300	2.0
151.14851	0.8
153.86063	0.6
154.94165	0.9
172.95276	1.6
182.23590	0.7
190.96300	1.2
219.21100	1.4
237.22180	1.9
239.30989	0.6
246.59329	0.7
280.26309	3.2
311.25803	100.0
312.26151	6.9
353.01797	0.7
453.17041	1.0
471.18155	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	452.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	19.0
57.07079	30.3
62.16167	1.3
67.05508	11.0
68.52938	1.3
69.03448	1.6
69.31563	6.9
69.59719	1.1
73.02925	3.2
73.06547	5.3
79.18067	1.3
81.07085	1.7
81.54526	1.2
83.04990	15.8
83.08633	5.7
85.06545	2.2
89.02393	2.6
89.06034	100.0
95.08648	1.2
96.16538	1.3
98.23367	2.2
99.04444	3.0
101.05993	2.5
101.09670	17.5
105.38073	1.3
107.07062	16.9
111.04443	35.3
113.06022	8.9
127.07559	6.4
129.05501	4.4
133.10205	1.3
139.07553	2.2
145.12239	54.4
155.07034	93.7
156.07347	2.4
157.08615	16.0
163.13306	67.1
164.13742	1.7
173.08109	11.1
199.09608	1.4
201.11176	1.7
217.10718	24.0
217.12726	2.1
218.11147	1.5
255.15916	20.8
261.13342	6.0
273.16956	8.4
317.19574	36.2
318.19885	2.6
427.69467	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	453.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02057	0.7
53.03948	1.1
55.01873	1.5
57.03426	1.5
59.57710	0.7
60.33220	0.6
61.02924	2.6
65.03945	0.9
66.40369	0.7
67.05493	1.6
68.99781	1.4
69.03435	5.8
70.61588	1.9
71.04991	0.6
73.02954	0.9
77.03954	0.8
81.03419	2.9
83.05003	1.6
84.86156	0.6
85.02914	19.8
87.04474	0.8
88.05186	0.6
91.03961	1.0
91.05497	0.9
93.03386	1.3
95.04963	2.2
96.65236	0.7
97.02899	5.5
99.04482	1.4
99.96819	0.7
105.03407	1.4
105.07048	1.2
107.04943	2.2
107.06030	0.9
109.02891	2.5
111.04461	3.4
117.07018	0.6
119.04967	5.0
122.09618	0.7
123.04440	51.4
124.04736	1.1
125.02448	0.7
127.03934	5.2
135.04430	3.4
135.05547	8.0
137.05988	1.0
139.03909	100.0
140.04237	2.4
145.04942	1.4
147.04419	16.9
151.03917	3.9
153.01826	1.6
153.05431	2.0
153.06630	2.2
156.42719	0.8
161.05986	2.2
163.03908	4.4
165.05484	14.9
181.04918	0.8
189.05516	1.6
205.04977	1.0
207.06534	3.0
264.08694	1.5
273.07614	4.9
289.06265	0.7
289.28769	0.7
291.08649	11.4
292.08276	4.1
453.14069	1.1
464.34134	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	453.1394
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.42179	1.4
55.01887	2.2
55.05499	2.5
57.02608	1.3
57.03439	2.1
61.02925	1.4
62.27158	1.3
64.18020	1.3
67.05479	2.1
68.99805	2.3
69.03428	4.9
69.18417	5.6
69.18840	6.3
81.03425	3.5
85.02910	11.3
91.05495	2.8
93.03407	1.4
95.04984	2.1
97.02893	4.8
98.23437	1.9
107.04967	2.4
109.02884	2.7
110.07143	1.9
111.04452	3.0
119.04975	4.8
120.08107	1.5
121.03998	2.6
121.06540	2.8
123.04435	63.1
124.04767	2.1
127.03944	3.5
130.87370	1.3
135.04428	4.1
137.02409	1.5
139.03908	100.0
140.04259	2.8
143.61975	1.4
147.04422	20.8
151.03920	6.4
153.01833	10.2
154.30574	1.5
161.06035	3.0
163.03944	10.1
165.05502	14.7
169.04865	1.7
177.05525	2.3
179.07007	1.7
181.04974	3.5
182.43144	1.4
205.05017	4.6
207.06558	5.9
247.06128	2.2
273.07526	4.8
288.05841	2.8
289.06155	9.4
290.06369	5.7
291.08832	18.2
344.14026	1.7
453.15005	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	453.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.9
56.96561	26.2
69.07040	4.4
70.65868	5.6
70.66205	10.2
72.76183	3.8
79.05526	3.7
81.07039	5.7
83.08608	4.5
85.02944	4.8
91.05508	5.8
95.08657	5.3
100.11282	12.5
109.55397	3.7
113.18069	4.2
189.04398	6.1
195.03328	9.7
213.04466	4.3
249.07977	7.1
265.11063	20.2
283.12183	19.2
291.09872	51.9
309.10031	26.5
453.15201	100.0
453.20148	6.4
453.25305	32.4
453.34518	11.6
454.14963	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	453.1734
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
52.84888	0.8
55.05483	3.6
67.05479	1.0
70.06586	0.9
71.29936	0.8
72.04488	0.9
74.37181	0.8
81.03378	0.8
81.07037	1.6
82.06546	1.3
83.08581	3.5
83.14595	0.8
85.02854	1.1
88.96297	0.8
91.05432	1.4
93.07009	1.3
95.08549	1.1
98.05988	1.3
98.09637	0.9
99.43204	0.9
100.11263	15.7
103.81981	0.8
105.03335	1.0
105.06950	1.0
107.08540	0.9
110.05980	1.0
111.04411	1.4
121.10101	1.1
126.09094	0.9
136.06090	1.0
139.03864	1.4
142.12196	3.3
147.04424	4.6
153.01749	2.1
156.19839	0.9
163.03767	2.3
168.13750	2.6
182.15276	3.5
185.04161	2.0
203.05278	1.3
209.16356	3.2
210.14919	4.5
215.03304	1.2
220.09624	1.6
226.19012	1.2
228.15810	1.2
229.11891	1.0
247.12930	1.9
269.18356	2.5
271.02151	3.6
273.14206	0.9
291.12051	100.0
292.12375	5.8
295.19885	1.7
301.03485	1.0
333.11276	2.3
409.18311	5.9
415.21097	0.9
435.32663	2.9
453.03799	3.2
453.16772	45.7
453.34329	18.3
454.17267	2.9
454.22720	2.2
454.34085	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	453.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01871	0.6
57.03429	1.6
61.02923	2.2
65.03938	1.0
67.05510	0.8
67.29932	0.5
67.56027	0.5
69.03431	5.8
69.07070	0.7
71.05003	0.6
71.10053	0.4
72.08152	0.4
73.02920	1.1
75.36279	0.5
81.03419	2.1
85.02904	7.9
87.04449	1.3
91.05471	0.5
93.03426	1.2
93.07015	0.6
94.06583	0.8
95.04973	0.7
95.08569	0.5
96.08115	0.7
97.02890	3.0
99.04488	0.5
108.04502	0.7
109.02880	1.6
110.06042	0.7
112.03940	0.5
112.07616	0.6
112.11325	0.5
113.20021	0.5
116.24241	0.5
121.06482	0.6
122.06007	1.1
124.07576	3.1
127.03912	1.5
134.06013	1.0
136.03940	2.3
136.07495	0.6
137.02362	1.7
138.05518	0.9
138.09140	4.9
140.07060	3.5
145.04970	0.8
145.10141	0.4
150.05521	0.7
152.07100	1.7
153.01851	0.9
154.05005	5.2
154.08623	4.1
157.08893	0.7
168.06631	1.2
172.11195	0.5
175.12463	0.6
178.04979	0.7
178.08516	0.4
185.08360	1.0
186.09065	0.4
188.10793	0.6
190.12279	1.0
196.06107	1.3
199.08757	0.5
199.12411	0.5
199.45137	0.4
200.07138	0.6
200.10841	3.3
202.12355	0.6
203.08031	0.9
203.11809	0.9
204.10410	0.5
209.06993	0.6
210.09126	0.5
212.09364	1.3
213.10219	0.5
215.11751	1.0
216.10170	1.3
216.12300	0.6
217.13339	1.4
218.11801	1.7
226.07330	0.7
227.08087	3.2
227.11682	2.4
228.10260	10.8
229.10759	1.5
231.11272	0.8
232.11992	0.6
241.09622	2.1
242.10539	3.7
243.11314	5.4
244.09918	0.5
244.12022	2.7
245.12848	7.3
246.11220	6.3
255.11313	3.8
256.09671	1.5
257.12708	0.8
260.11801	0.8
261.12402	1.4
263.13873	0.8
273.12369	10.0
273.14880	0.4
274.10660	5.8
291.13388	100.0
292.14069	4.3
327.96069	0.5
453.18491	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	453.2096
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
56.38316	0.4
56.96556	1.1
57.03431	1.4
61.03586	0.4
64.85682	0.4
70.06574	0.4
72.08181	0.7
83.04993	0.5
85.37569	0.4
91.05505	0.5
93.07034	0.4
97.02914	0.5
98.22611	1.5
98.97582	0.4
107.04087	0.4
107.08627	0.8
116.98669	0.5
120.08117	0.4
125.09663	2.4
137.06033	0.4
139.07310	2.0
147.04402	1.6
173.05734	0.5
186.03189	0.6
187.03906	0.5
206.90593	0.4
214.02713	0.7
214.42734	0.5
231.02951	0.5
253.03897	1.2
290.14920	3.9
291.04990	4.0
291.15695	2.4
346.03473	0.4
351.03873	1.0
418.87225	0.4
453.20981	100.0
454.21286	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
53.31737	3.8
54.32224	3.8
55.01864	4.4
61.02927	6.0
69.25468	19.6
69.25871	9.4
71.04994	8.8
71.68522	4.2
72.08154	6.1
79.05491	6.5
81.07066	8.7
83.76062	4.0
85.02892	6.6
91.05486	13.5
93.07037	9.4
95.04974	10.1
95.08580	5.4
98.22591	8.6
101.04762	4.2
105.07027	16.4
107.08583	8.7
108.08170	7.5
109.08400	6.8
119.04941	6.2
119.08611	6.6
121.02867	12.4
121.06524	5.1
121.10175	17.6
122.03143	5.5
123.04446	100.0
125.09635	7.6
133.10095	23.7
135.04395	7.9
137.02383	4.5
137.06013	5.2
139.03920	14.3
143.10669	16.2
147.04404	23.2
148.04727	9.1
151.03899	16.1
151.07503	6.3
152.07001	5.9
153.01868	16.5
153.07376	6.9
163.03917	9.8
165.05502	16.8
167.07057	94.2
169.06631	4.8
170.08168	6.4
175.07445	6.0
179.07060	18.4
181.05025	12.7
189.16429	7.6
191.03412	7.4
193.04987	10.0
201.16397	5.0
207.06572	6.3
209.07964	4.7
212.98627	4.5
213.14967	6.3
219.17406	6.3
227.09044	10.5
241.94597	4.2
255.19608	10.2
266.02780	4.4
273.07742	5.0
299.25656	4.9
315.08658	5.6
329.73190	5.5
345.66742	4.4
381.09528	5.1
453.15167	9.2
453.20901	22.7
454.22476	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	453.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.1
57.07069	11.8
58.25022	2.9
67.05508	12.2
69.03410	3.0
69.07074	5.4
70.45683	2.9
71.05010	6.3
79.05490	16.8
81.07068	18.8
83.04991	8.0
85.06536	5.3
85.10177	6.0
89.06041	21.6
91.05474	16.9
92.84614	3.2
93.07053	23.6
93.50886	2.8
95.04983	12.1
95.08612	34.0
105.07023	20.0
107.08593	18.8
109.06526	60.7
109.10155	6.0
111.08065	8.2
117.07010	7.4
119.08578	18.0
121.06557	4.1
121.10151	14.4
125.05989	7.2
129.07036	7.1
131.08580	9.1
133.06462	3.1
133.08604	10.2
133.10127	15.7
135.08072	7.5
135.11720	5.1
137.05962	7.1
137.09625	25.1
141.06917	4.8
143.08559	14.0
145.10136	20.2
147.08049	6.1
147.11682	7.1
149.09648	7.6
155.08525	7.8
156.09299	4.9
157.10112	26.6
159.11699	8.8
161.09633	9.6
163.11230	15.9
167.08600	4.4
169.10158	8.1
171.08057	6.1
171.11700	8.3
173.09668	7.7
173.13293	6.8
175.11253	7.7
177.11322	5.0
181.10065	4.0
181.10803	3.7
181.12241	28.3
182.10962	5.9
182.12604	5.0
183.11725	8.4
185.09705	7.7
187.11165	12.1
189.12857	4.1
195.11717	11.1
197.13255	14.3
199.11139	7.6
201.12648	5.1
203.10637	11.9
205.09941	3.3
206.63419	3.5
207.13829	3.7
209.13249	6.2
211.11192	4.8
213.12856	5.5
213.46936	3.4
215.10716	12.8
215.14336	11.8
221.13118	3.5
229.12289	4.4
237.16557	4.5
239.14546	9.1
241.15862	8.3
253.15897	11.4
255.13727	3.7
255.17439	5.4
259.14459	3.9
259.16895	19.4
271.16949	36.8
272.17776	3.6
273.18484	6.7
281.15466	5.1
285.18375	5.2
297.18518	4.6
311.20251	5.1
317.21005	16.3
321.18375	4.6
329.21240	7.5
337.21686	3.8
339.19547	8.8
377.24872	4.6
383.25842	5.1
395.25754	42.4
417.27731	7.0
435.28687	25.6
453.29877	100.0
454.30334	14.0
458.75839	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	454.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
57.03449	1.1
69.03440	4.4
69.56524	1.9
69.56913	1.6
70.06591	0.9
72.08164	1.1
76.28047	0.7
79.01849	2.3
81.03423	6.4
83.08630	0.7
84.08150	0.9
85.02919	4.4
91.05504	1.3
97.02895	5.8
99.04456	1.1
100.07621	0.8
100.11261	4.8
105.07023	1.6
107.01328	2.5
109.02875	5.0
119.04931	2.6
121.17904	0.8
125.02341	2.8
125.76826	0.8
127.03912	7.7
128.07010	0.7
132.04446	0.9
135.04437	1.0
141.05231	0.9
143.03438	4.2
145.04932	1.1
147.04434	8.4
153.01837	100.0
153.02805	4.2
154.02180	2.9
154.12230	0.7
163.03886	5.9
171.02904	11.6
178.05025	10.0
182.15416	2.0
198.50360	0.7
203.05231	1.1
204.10201	1.3
210.14816	1.7
213.04103	0.6
220.09715	2.9
238.19019	0.7
277.17712	0.7
292.16071	0.8
292.20065	1.3
297.06131	7.2
303.05020	2.6
303.80090	0.8
315.07111	16.6
337.16260	5.5
381.28290	0.7
385.18051	1.4
405.06238	1.7
435.33487	0.9
437.20685	0.7
453.34271	1.8
454.21722	10.9
454.34616	2.4
455.22556	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03947	0.6
69.13325	0.5
69.13733	1.1
72.15588	0.2
77.03941	0.3
79.05491	3.8
95.04961	0.7
98.22546	0.2
103.05477	2.8
103.39859	0.2
105.07032	100.0
106.07361	2.7
122.09669	46.3
123.09986	1.6
160.69012	0.3
234.31241	0.2
356.41940	0.3
457.35455	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	454.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82994	0.6
58.06593	1.2
59.73319	0.5
65.03947	1.2
66.22898	0.5
70.06587	0.9
72.08157	13.5
75.09226	1.1
79.05447	0.5
84.08121	1.4
89.03926	3.7
91.05489	7.2
107.04945	1.3
112.11246	7.3
117.03385	5.6
119.04945	18.9
129.13873	3.7
135.04411	10.1
145.02844	9.8
146.16512	2.2
147.04408	98.8
148.04752	2.9
153.01772	0.8
155.11815	2.4
158.68579	0.5
163.03908	77.1
164.03035	0.5
164.04179	2.5
203.11722	0.8
204.10202	40.8
205.10529	1.5
218.11795	4.7
219.11272	0.5
220.09689	40.4
221.10011	1.9
221.12770	0.7
234.11249	3.8
237.12331	0.5
253.34415	0.5
274.19156	0.6
275.17596	3.3
291.17023	2.7
292.16968	0.8
292.20178	12.8
303.05014	1.9
308.19693	9.1
315.13428	1.5
436.21967	1.3
437.20990	1.7
452.19791	0.5
454.23361	100.0
455.23758	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	454.2338
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
58.06581	2.1
59.73281	0.8
65.03933	1.1
69.03410	0.5
71.04979	1.4
72.08160	15.4
75.09239	1.9
79.05490	0.6
84.08130	2.1
85.84218	0.6
89.03915	3.6
89.52696	0.6
91.05487	8.4
103.57870	0.6
107.04939	0.8
112.11250	6.7
117.03378	5.2
119.04949	23.0
120.05321	0.6
129.13884	4.5
135.04410	10.6
145.02852	10.1
146.03358	0.6
146.16498	2.9
147.04414	100.0
148.04767	2.9
148.67619	0.6
155.11755	1.9
163.03909	80.5
164.04195	2.7
172.14413	0.9
176.59061	0.7
203.11723	1.1
204.10205	41.6
205.10503	2.3
213.07629	0.6
215.42570	0.6
217.85983	0.5
218.11748	3.7
219.11433	0.7
220.09691	33.4
221.10030	1.4
221.12846	0.9
229.31937	0.8
234.11285	6.2
275.17557	3.7
290.18567	1.1
291.17032	2.8
292.20184	14.0
308.19730	11.0
309.20090	0.8
436.22522	1.1
437.20605	1.8
454.23380	97.0
455.23709	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	454.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39622	7.7
53.03922	7.7
55.05519	9.7
56.89648	8.0
67.05505	17.0
69.03431	10.2
69.06504	6.3
69.77193	28.2
70.06573	9.2
79.05508	39.4
81.07049	25.9
85.02948	9.6
91.05493	39.6
93.07053	89.2
94.07378	8.1
95.04949	13.6
95.08619	22.6
98.23326	14.0
100.11246	14.0
107.08584	20.6
109.10189	8.6
111.04478	8.1
111.08089	9.8
117.06999	11.8
119.05037	8.2
119.08584	23.8
121.06532	8.9
121.10155	100.0
131.08513	10.4
139.03908	11.1
147.04382	28.1
149.09628	21.8
153.20085	7.3
158.55850	7.5
163.03922	15.5
167.10693	28.2
193.05038	12.7
200.20024	8.2
201.86905	7.7
204.10312	8.7
217.08549	8.1
220.09834	11.7
237.07600	16.6
244.22902	9.0
291.15649	13.7
292.15991	27.1
292.19342	8.9
311.14963	23.4
337.20404	7.4
437.26559	8.3
454.21484	33.8
454.27786	33.1
455.28043	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	454.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.05510	7.6
57.03202	1.9
57.03444	25.9
57.07077	2.2
61.02934	12.2
67.05502	3.7
69.03432	33.7
69.07067	18.0
71.01350	1.9
71.04980	8.4
71.29832	2.1
72.08165	1.6
72.81959	1.5
73.02921	48.6
81.03428	7.5
83.04980	2.5
83.08610	8.8
85.02908	100.0
86.03246	2.7
87.04463	3.9
91.05468	2.8
93.07055	2.5
95.08650	2.2
97.02895	49.8
99.04445	4.3
100.11233	5.1
103.03934	1.8
105.38095	1.6
109.02897	8.1
111.04480	1.9
115.03927	28.9
119.04949	3.1
121.06464	2.2
125.13255	5.6
126.66599	1.6
127.03916	26.9
127.04787	2.2
129.05458	3.7
131.03455	1.5
133.04971	12.3
143.14349	2.4
145.04961	39.5
147.04419	14.4
147.11743	1.6
150.07605	2.6
153.01813	2.6
163.03975	8.0
163.06023	27.1
182.15492	3.7
190.32892	1.7
204.10231	4.3
210.14957	3.7
220.09724	4.8
223.06041	2.3
241.07007	4.1
245.06184	2.3
259.08218	3.8
279.01324	1.8
289.05252	2.4
293.17328	2.1
295.10425	1.6
303.04904	4.8
303.37280	1.6
369.18726	5.6
411.19861	24.8
437.21237	1.7
453.84348	2.6
454.24884	15.0
455.18152	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
54.14832	2.1
55.01883	4.1
55.05513	21.7
57.03438	42.9
57.07086	14.9
61.02935	14.8
61.09428	2.3
67.05520	9.7
69.03432	53.8
69.07072	94.4
69.11723	5.3
69.12129	11.8
70.07428	3.4
71.01347	2.5
71.04990	5.1
73.02922	77.4
76.99883	2.4
79.01873	2.7
79.05472	3.2
81.03414	9.2
81.07046	8.7
83.08620	35.2
85.02910	100.0
87.04461	8.7
91.03961	2.6
91.05504	5.5
93.07047	5.7
95.04987	3.0
95.08631	2.9
97.02892	71.5
99.04441	4.8
100.11250	12.7
103.03963	2.6
105.07055	3.6
109.02909	10.0
111.04434	4.2
115.03938	57.1
119.08540	4.0
121.06516	7.4
121.10117	3.5
125.03188	3.2
125.13279	15.3
127.03927	30.7
128.07103	2.9
132.06558	2.4
133.04985	24.3
145.04976	37.3
147.04448	12.9
150.07678	5.6
153.01825	23.8
163.03906	4.4
163.06053	18.1
182.15401	10.6
210.14906	9.2
220.09731	3.5
221.15184	3.0
223.06119	5.7
241.07050	6.6
259.08185	3.5
297.24789	2.7
303.04932	18.8
444.83017	3.1
454.24774	25.4
455.06305	6.2
455.22308	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05521	4.2
57.03446	4.1
57.07077	21.1
57.52010	0.7
59.41534	0.7
62.06094	24.7
67.05511	7.2
69.07070	6.4
69.70266	3.5
70.06607	1.3
71.08636	12.4
79.05497	1.2
81.07056	9.2
83.08619	5.8
85.06524	1.0
85.10179	7.4
88.07639	1.5
89.06039	1.2
91.05524	1.1
93.07056	2.4
95.05035	0.9
95.08613	12.8
97.10175	2.6
98.98457	6.0
109.10154	6.6
111.11743	1.1
119.08512	0.9
120.96655	2.8
123.11708	2.4
124.01588	1.9
142.02643	1.0
155.01041	7.5
181.06462	4.0
197.07973	0.8
198.05304	1.3
216.06358	2.4
225.09113	3.4
255.06375	1.0
256.26266	4.5
257.24585	1.1
282.27936	12.6
313.27362	100.0
314.27728	7.7
335.25702	2.3
354.13269	0.8
357.24072	1.4
369.37140	0.8
393.24011	3.0
434.33563	1.0
436.28177	2.3
437.20563	1.5
454.33246	3.6
455.21692	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	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05508	2.5
57.03451	4.0
57.06796	0.9
57.07080	23.5
62.06094	24.7
62.06420	1.2
67.05508	5.1
69.05462	4.3
69.07076	3.8
71.08640	17.0
81.07072	7.0
82.07410	0.7
83.08610	4.2
85.09715	0.9
85.10189	8.5
89.06026	1.2
94.66160	0.5
95.08617	8.6
97.10166	2.3
98.06160	0.7
98.98479	5.6
109.10183	4.4
120.46964	0.6
123.11711	1.9
124.01611	1.2
142.02655	1.4
150.06221	0.7
155.01071	6.7
173.02106	0.7
198.05191	1.2
216.06366	3.2
225.84236	0.6
239.23744	2.0
269.63303	0.6
282.27878	9.9
313.27365	100.0
314.27716	6.6
393.24002	4.6
436.28543	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	454.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20963	1.2
53.40124	1.2
55.05508	3.7
57.07077	30.4
65.90652	1.2
67.05505	2.5
68.65374	1.1
69.07079	2.1
71.08636	22.7
71.28347	1.3
71.35863	1.2
72.83118	1.1
73.06554	4.0
73.73373	1.2
77.35863	1.3
79.05485	1.6
81.07072	3.5
83.08607	2.5
85.10182	21.0
87.04475	2.2
89.06033	100.0
91.05479	2.2
93.07054	2.2
95.08611	3.4
95.51265	1.1
97.10165	3.3
99.11739	2.8
105.07035	2.6
107.07059	4.2
107.08540	1.3
108.25010	1.4
109.06520	3.4
113.13313	2.1
117.09137	1.9
121.10134	1.3
126.36114	1.0
130.08598	1.8
131.08713	1.2
133.08603	43.7
133.10153	2.1
135.65720	1.4
137.09616	1.4
155.17937	4.2
157.10243	1.7
173.44296	1.1
176.11516	1.4
177.11227	18.9
195.12184	2.3
199.20609	4.0
239.14839	2.9
243.23225	10.2
260.17447	1.5
283.17493	14.0
287.25781	2.2
393.32272	1.5
396.26147	3.3
437.29355	2.2
437.34668	12.0
454.24503	1.5
454.29565	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	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55803	0.6
58.81379	0.6
62.08578	0.7
64.97314	0.6
68.90200	0.6
69.54879	2.7
69.55229	1.1
94.93016	2.1
97.38710	0.6
98.42758	0.7
112.89627	12.1
145.81892	0.7
169.39581	0.6
204.87022	1.3
212.85233	1.0
246.90068	1.4
305.50720	0.7
326.91110	1.1
445.58298	0.7
455.11627	100.0
456.12045	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	455.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03941	0.8
57.03431	0.9
68.11817	0.6
68.99776	0.6
69.03430	3.5
71.29461	0.6
71.90010	0.5
73.54452	0.5
79.01858	4.5
81.03422	10.0
85.02915	4.1
86.09676	0.6
91.05466	0.6
95.04984	0.8
97.02891	5.1
99.04460	1.0
102.84158	0.6
103.03936	1.2
107.01318	2.0
107.04990	0.6
109.02882	5.5
109.06598	0.6
109.33496	0.5
123.04414	2.5
125.02361	3.6
125.09608	0.7
127.03922	5.7
137.02374	0.7
137.05992	1.8
139.03896	1.8
141.05475	10.6
143.03397	6.5
145.04961	0.8
147.04442	1.1
151.03908	0.9
153.01839	100.0
153.02913	5.8
154.02161	2.6
165.05548	3.1
165.06790	0.6
171.02904	9.7
171.04362	0.8
177.05527	1.5
179.07069	1.4
183.06534	3.8
189.05324	0.5
195.02844	0.6
203.03470	0.6
203.07027	1.4
207.06583	1.9
231.06555	4.3
239.01993	0.7
249.07616	1.6
255.05006	1.9
257.28665	0.7
293.16400	0.6
297.06100	7.2
315.07202	2.7
455.05997	1.3
455.11633	0.7
455.22006	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	455.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
56.21929	1.2
59.03151	1.3
60.29569	1.2
66.76913	1.5
67.47694	1.2
69.03424	1.8
70.06593	5.8
70.08143	2.2
70.08543	3.9
79.01841	5.6
81.03413	5.5
85.02908	4.7
97.02887	4.8
103.03918	2.3
107.01368	2.1
109.02890	4.1
115.05485	2.9
122.06009	2.2
123.06396	1.2
125.02369	2.2
127.03907	4.5
133.02887	1.4
143.03355	6.7
147.04388	1.5
149.42587	1.4
153.01830	100.0
153.02885	5.7
154.02158	4.2
167.03239	1.5
171.02896	7.5
171.04315	2.5
203.06998	3.8
203.65863	1.3
203.67802	1.3
207.06509	3.3
231.06487	11.1
249.07605	3.1
255.04997	2.8
293.03159	1.7
297.05963	6.3
315.07065	2.8
455.24802	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	455.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.5
57.43021	0.2
58.02448	0.2
65.03952	1.3
66.73519	0.2
67.01871	2.8
69.97552	0.8
71.04987	0.3
72.74583	0.2
79.83084	0.2
81.03384	0.8
85.02889	0.5
91.05482	11.9
93.07028	0.2
97.02867	0.3
99.04435	0.9
100.11228	0.3
100.15965	0.2
109.02890	2.6
109.57376	0.2
119.04947	24.6
120.05264	0.9
121.06507	0.7
127.03923	6.1
128.04230	0.3
146.05949	0.4
147.04413	100.0
148.04753	3.2
153.01814	0.5
174.07945	0.2
203.05254	0.2
255.06581	0.9
256.31320	0.2
273.07584	3.4
274.08142	0.3
275.16113	0.3
293.17380	0.5
303.04904	1.1
310.83755	0.2
411.19809	0.5
455.22781	9.5
456.22971	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	455.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
56.74951	0.2
65.03934	1.2
67.01871	3.6
71.04998	0.5
81.03429	1.2
85.02889	0.2
85.56196	0.2
89.83034	0.2
91.05483	10.5
97.02872	0.3
99.04455	0.6
109.02876	3.3
119.04945	24.9
120.05273	0.7
127.03921	7.1
147.04410	100.0
148.04739	3.9
153.47766	0.2
156.79567	0.2
230.28815	0.3
255.06480	1.0
273.07590	4.5
273.20148	0.2
274.07971	0.3
462.63126	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	455.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
54.28566	0.1
65.03938	1.1
67.01870	3.5
69.06419	0.9
71.04970	0.3
78.27734	0.1
81.03423	1.2
82.09652	0.1
82.85271	0.1
85.02905	0.3
91.05487	10.3
92.05810	0.3
97.02882	0.4
99.04461	0.8
109.02886	3.7
119.04950	23.9
120.05267	0.8
123.04419	0.1
125.02373	0.1
127.03924	8.2
139.03932	0.2
143.03438	0.1
147.04416	100.0
147.30043	0.1
148.04747	3.4
151.03932	0.2
153.01822	1.8
153.02937	0.1
165.05476	0.2
213.05626	0.2
227.07039	0.2
245.08040	0.2
255.06511	0.9
273.07587	4.6
274.08017	0.3
303.05008	1.4
455.06354	0.5
455.13229	0.2
455.22476	4.8
456.22699	0.3
467.71805	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	455.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.5
67.01864	0.7
67.17797	0.2
69.15369	1.4
72.83933	0.2
72.97127	0.2
76.08499	0.2
76.43533	0.2
78.71046	0.2
81.03413	0.6
91.05488	12.8
92.05814	0.3
96.00473	0.2
97.02925	0.3
99.04478	0.4
107.05051	0.2
109.02892	1.3
119.04950	29.1
120.05289	0.8
127.03920	1.9
147.04417	100.0
148.04755	3.3
165.05479	0.3
273.07486	1.1
351.06345	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	455.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03940	0.4
65.03944	0.9
67.01872	2.9
69.15381	2.2
71.04997	0.6
81.03411	1.3
85.02905	0.4
91.05486	9.7
97.02868	0.3
97.40264	0.2
99.04450	0.8
109.02888	3.7
119.04950	21.4
120.05277	0.5
127.03924	7.3
135.06064	0.3
137.51387	0.2
147.04417	100.0
147.67758	0.2
148.04753	3.4
213.05447	0.4
225.09500	0.3
255.06587	0.9
273.07574	5.0
274.08130	0.4
313.41006	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	455.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
53.40244	0.2
64.09977	0.2
65.03934	1.2
66.52112	0.2
67.01868	3.0
69.39494	1.5
70.97605	0.2
71.04992	0.5
81.03416	1.0
85.02887	0.3
91.05489	11.1
92.05804	0.2
97.02869	0.3
99.04459	0.7
109.02884	3.3
112.47169	0.2
119.04951	24.5
120.05278	0.7
127.03925	6.9
147.04414	100.0
148.04750	3.1
213.05406	0.3
255.06627	1.1
273.07584	4.2
477.17630	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	455.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70188	0.1
53.03955	0.3
53.81803	0.1
61.98159	0.1
64.10906	0.1
65.03943	1.0
66.54482	0.1
67.01871	3.0
67.05513	0.2
70.27203	0.4
71.05021	0.5
79.05528	0.2
81.03425	1.1
81.07085	0.1
85.02929	0.3
91.05483	10.2
92.05818	0.2
97.02902	0.4
98.22697	0.1
99.04459	0.8
105.07034	0.1
109.02883	3.5
119.04951	23.3
120.05257	0.7
127.03920	7.6
133.10159	0.1
147.04414	100.0
148.04755	3.4
150.54198	0.1
165.05487	0.2
213.05484	0.3
227.07047	0.2
229.08737	0.1
255.06639	0.8
273.07571	4.9
274.08124	0.2
408.88989	0.1
455.13083	0.1
455.22501	0.2
473.58649	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	455.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65347	0.6
66.91124	0.5
69.18726	2.2
69.19143	1.4
70.06562	0.5
90.14442	0.4
93.07032	0.7
98.43725	0.5
123.04453	0.7
153.01871	1.1
161.37686	0.6
259.76834	0.5
275.16095	0.7
293.13602	12.7
294.13782	0.6
303.04868	0.6
335.14734	0.5
365.15530	0.7
393.18939	2.9
395.16806	3.6
437.17795	1.0
455.18704	100.0
456.13324	0.7
456.19086	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	455.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05492	1.0
56.04996	0.5
56.46845	0.5
57.49036	0.4
63.87853	0.5
67.05514	3.3
69.00723	2.3
69.01144	1.7
69.03424	0.9
69.07058	1.3
70.06580	0.9
73.66531	0.6
79.05498	2.7
81.03403	1.0
81.07056	3.5
83.04964	0.6
83.06099	0.6
83.08572	0.6
84.04520	0.6
84.16774	0.5
85.02914	0.8
86.21132	0.5
91.05470	3.0
93.07031	4.0
95.04942	2.1
95.08625	2.5
97.02917	0.5
97.06516	0.4
100.11227	0.6
105.07001	2.2
107.04913	1.4
107.08559	2.0
109.10130	1.7
111.04427	0.5
117.07030	1.0
119.08533	1.0
121.02814	1.1
121.06433	1.5
121.10106	1.8
123.04443	0.9
125.02290	0.6
127.03875	0.6
130.05093	0.6
131.08528	1.1
133.10159	0.7
135.08058	0.6
135.11620	0.6
137.05890	0.5
139.03896	4.2
143.08606	0.6
147.04395	1.1
147.08003	0.9
149.09651	0.7
151.03853	1.1
151.07549	0.5
153.01675	0.5
153.51030	0.4
163.03893	0.9
163.07527	1.0
167.03397	0.9
173.05904	0.6
175.03859	1.8
175.07384	0.6
182.15392	0.5
185.04141	1.0
193.04868	1.1
203.05238	1.8
207.13499	2.2
210.14911	0.5
217.08549	2.0
227.05171	0.7
230.05447	0.9
235.09700	0.8
245.06303	3.5
249.14771	0.5
271.04108	0.7
289.02682	0.6
289.05350	6.7
293.13800	0.5
293.17206	1.0
369.18918	7.2
383.10449	0.5
393.18729	1.3
411.19894	35.8
412.20001	1.5
437.26825	3.0
455.18637	100.0
456.19077	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	455.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63767	0.7
53.03942	1.8
53.41411	0.7
55.01848	1.1
55.05490	2.9
55.43778	0.8
55.83057	0.8
65.03916	1.3
67.05508	8.3
69.03411	2.6
69.07056	3.0
70.06578	1.0
71.04968	0.9
71.29659	1.0
72.69362	0.7
73.02908	1.0
79.05489	6.3
79.64234	0.8
81.03407	3.7
81.07056	6.3
83.04990	1.3
83.08607	1.1
85.02890	3.2
88.44750	0.8
91.05478	5.8
93.07053	5.2
95.01306	1.1
95.04975	4.4
95.05474	0.8
95.08604	4.3
97.02868	2.3
97.06551	1.2
100.11218	1.1
103.05427	1.0
105.07005	3.6
107.04913	3.5
107.08570	2.6
109.02808	1.0
109.10126	1.6
111.04442	1.2
111.08088	1.1
115.03970	1.1
117.06993	1.8
119.04907	0.8
119.08570	2.1
121.02840	2.9
121.06482	2.8
121.10120	2.6
123.04387	2.1
127.03893	2.1
129.07030	1.1
131.08531	1.5
133.06448	1.0
133.10101	2.1
134.54906	0.8
135.08009	1.4
135.11687	1.3
139.03905	6.3
140.13452	0.8
143.08540	1.5
145.04909	1.2
145.06509	1.0
145.10080	1.8
147.04405	1.5
147.07967	1.1
151.03922	2.1
153.01898	1.0
155.08537	1.0
157.04909	1.0
161.13254	0.9
163.03902	2.9
163.07526	1.6
165.05438	1.1
167.03288	1.5
171.11658	0.9
175.03883	3.7
175.93256	0.8
177.05443	1.4
185.04181	1.0
189.05338	1.2
193.04907	2.8
201.05495	1.1
203.05176	1.4
203.06950	1.3
207.13562	1.1
217.08542	4.2
235.09520	1.7
235.13057	1.0
245.06259	2.5
271.04022	0.9
289.05124	2.6
293.17120	1.8
303.04919	2.0
309.51025	0.9
327.03525	0.8
369.18796	9.0
411.19876	35.8
412.20374	2.1
419.25534	1.7
437.26746	5.7
455.18649	100.0
455.27292	5.0
456.19012	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	455.2056
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
52.34525	0.9
55.05505	1.5
63.77135	0.8
71.29881	1.1
81.07034	1.0
82.50351	0.7
91.05476	1.3
100.11264	3.0
101.11613	1.0
108.75906	1.1
112.14239	0.9
119.04929	1.1
147.04401	5.8
148.04761	0.9
153.01805	3.4
153.22018	0.8
162.97319	0.9
182.15398	1.2
182.79137	0.9
210.14877	1.5
293.17242	4.5
303.10419	1.9
366.93271	1.0
455.20410	100.0
456.20749	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	455.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
60.95413	0.4
70.06590	1.3
70.85255	0.6
75.24680	0.4
76.92567	0.4
81.07047	0.4
86.09713	1.0
91.05499	1.2
95.08583	0.4
119.04970	1.7
122.24316	0.4
137.02356	0.5
143.03407	0.6
147.04402	5.8
147.05470	0.5
148.04779	0.9
153.01830	7.6
153.02928	0.8
154.40678	0.4
163.03941	0.8
169.04778	0.9
203.05322	1.0
213.60544	0.5
229.04953	0.6
245.06308	2.0
271.12265	0.9
275.06140	0.4
275.16235	2.4
289.13403	1.0
293.13608	1.4
293.17285	2.9
303.05035	6.3
303.10391	2.5
309.03741	2.6
313.12665	1.2
383.16821	1.6
425.21155	0.5
437.21454	1.8
455.22562	100.0
456.17661	2.0
456.22998	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	455.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	0.4
71.04990	0.3
72.49004	0.3
77.64659	0.4
79.31052	0.3
83.01097	0.6
86.09721	0.5
95.01108	0.9
96.01898	0.4
98.23377	0.9
112.01334	0.8
113.02134	1.9
123.04466	1.0
139.03915	0.6
147.04445	0.8
153.01837	0.7
157.04738	0.4
185.04195	1.9
193.03003	0.4
196.10001	0.4
199.56653	0.4
201.03687	1.9
203.05283	2.1
205.12074	0.5
208.00511	0.6
214.55675	0.3
223.13107	0.8
287.11032	1.1
289.08957	1.7
293.13791	0.7
293.17279	1.3
385.18320	21.5
386.18845	1.0
455.22552	100.0
456.22919	8.3
465.69492	0.4
473.71506	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	455.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29188	3.3
69.29596	1.5
126.60081	0.9
289.21710	0.8
293.17239	100.0
294.17459	4.8
322.07288	0.7
455.22507	67.8
456.22778	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	455.2252
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
63.50979	0.4
65.03944	1.4
67.05495	0.5
68.04655	0.4
68.54431	0.4
68.99792	0.8
69.51787	1.9
70.06605	0.7
81.07063	0.5
83.89463	0.5
89.03987	0.5
91.05502	1.2
93.03395	2.2
98.22666	0.7
111.04462	2.0
113.02335	0.7
117.03369	1.3
119.04972	0.8
121.06535	0.6
121.59441	0.5
125.06000	3.8
137.88063	0.5
139.00281	1.5
139.03894	2.9
142.08640	0.4
145.02856	4.8
147.04495	0.5
151.03963	1.9
151.07652	0.5
153.05472	11.5
154.05780	0.5
155.04984	1.2
170.15526	0.6
177.05489	7.7
183.04436	0.9
195.06520	8.7
201.05562	1.8
203.05235	4.3
215.07170	0.7
219.06694	0.7
258.98715	0.5
261.07584	10.4
275.16187	4.7
281.11102	0.4
287.06332	0.5
287.09082	2.2
293.17212	3.7
313.07001	4.8
331.08145	0.5
353.41565	0.5
361.88339	0.5
395.11218	0.9
402.84808	0.5
411.19653	0.7
447.04138	0.5
450.99698	0.5
455.22580	100.0
456.22885	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	455.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05520	2.5
57.07062	1.2
65.03963	1.6
67.05508	4.6
68.99789	1.9
69.03439	2.1
69.07073	3.0
70.06598	3.6
71.29678	1.1
71.30044	1.2
79.05508	6.2
81.03428	2.4
81.07075	3.8
83.04980	1.6
83.08633	1.4
85.02923	1.2
86.09727	1.5
91.05482	5.4
93.07046	4.8
95.04979	4.5
95.08614	5.6
97.02900	1.2
97.06517	1.7
105.07053	3.6
107.04990	2.1
107.08624	2.5
109.02833	1.4
109.06509	1.1
109.10156	2.0
111.04462	1.0
117.07059	1.3
119.04955	1.3
119.08585	2.1
120.08130	1.2
121.02846	2.2
121.06533	1.8
121.10133	1.8
123.04427	8.3
127.03970	1.4
131.08653	2.5
133.10118	1.1
135.08032	1.2
136.07584	1.5
137.02338	1.2
139.03914	12.3
141.07115	1.3
145.10158	1.6
147.04436	3.7
147.08020	1.2
149.09709	1.1
151.03909	2.5
153.01831	10.4
153.02982	1.4
161.08160	2.1
163.03940	1.7
165.05510	11.0
167.03517	1.5
175.03935	2.6
177.05565	1.3
185.04218	1.8
194.01508	1.0
201.03862	2.2
201.05464	1.6
217.08655	3.0
224.56799	1.1
245.06380	1.5
289.05258	2.3
293.17227	98.0
294.17520	5.6
303.05011	15.8
304.05460	1.6
319.44641	1.2
369.18958	5.6
411.19693	16.0
437.26660	3.5
455.05801	2.5
455.23291	100.0
456.23813	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34850	1.5
55.05505	4.1
57.07080	3.1
59.04981	1.7
64.79261	1.4
67.05522	4.7
69.07080	1.9
70.06589	1.9
71.04996	4.0
71.08653	2.1
79.05517	4.3
81.07059	10.6
83.08638	3.0
91.05476	10.4
93.07047	12.7
95.08624	10.5
97.10168	2.8
98.23392	2.6
98.70146	1.6
105.07027	10.3
107.08604	5.5
109.06535	5.6
109.10188	2.9
110.25760	1.3
111.04450	3.3
111.08133	2.4
117.07040	2.9
119.08591	8.4
120.03062	1.5
121.06485	2.5
121.10181	6.9
123.04457	1.5
123.08075	4.6
124.93756	1.7
131.08617	4.5
133.06543	1.4
133.10161	4.6
135.04462	1.8
135.08076	2.5
136.05219	3.7
137.06015	6.0
139.07521	2.3
145.10161	5.8
147.11697	2.1
151.07599	10.0
154.06247	11.7
157.10152	2.0
159.11755	2.3
161.09647	1.9
164.04832	2.3
165.09149	3.3
167.07031	2.3
169.08598	7.1
177.05484	1.7
177.09117	2.2
181.08623	4.2
182.05800	9.4
183.06551	4.6
190.53300	1.4
191.07091	1.9
195.06532	2.9
195.10184	2.4
197.08098	100.0
198.08508	3.7
200.20174	3.2
205.08679	2.9
224.63145	1.5
231.10175	2.1
233.11792	1.9
235.09659	4.1
237.11285	9.9
245.11678	1.8
251.12852	2.6
283.26413	2.8
296.91400	1.8
437.20764	3.0
437.26733	1.7
455.22165	1.7
455.27942	8.5
455.35333	7.6
456.43997	6.0
468.46744	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	456.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55163	1.7
67.10160	1.7
69.03384	2.0
71.29826	1.5
71.90549	1.8
79.05487	3.3
81.03411	2.5
87.85138	1.7
91.05472	6.2
93.07050	14.2
95.04951	1.9
95.08599	1.9
97.02848	2.0
100.11278	2.6
105.07040	2.3
107.08633	2.4
119.08572	4.1
121.10149	9.9
123.04408	3.1
131.21223	1.7
140.68362	1.7
147.04384	6.2
149.09636	3.4
153.01837	4.0
163.07542	3.1
167.10654	1.8
241.28510	1.7
262.19089	1.6
304.10776	2.5
345.48639	1.8
456.20731	100.0
457.19705	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	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66615	2.2
57.03447	12.9
59.05005	3.7
69.03439	46.0
69.06709	3.6
69.07111	17.4
85.02908	38.9
87.04481	32.4
91.05480	5.5
95.66286	2.7
97.02895	42.5
98.22626	5.0
106.98271	2.5
109.10153	6.3
115.03940	51.6
119.04950	12.9
120.05229	3.8
120.20307	2.3
120.35945	2.4
121.06477	3.0
125.82912	3.0
127.03889	5.0
127.11156	4.8
133.04980	59.1
145.04930	7.0
147.04410	37.7
148.04761	27.9
150.07626	4.3
228.13251	2.5
271.11179	2.4
289.16461	6.0
293.17224	16.3
294.17603	40.1
456.10492	5.6
456.21014	100.0
457.19537	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	456.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	0.8
58.25613	0.3
58.95732	0.4
59.09906	0.3
65.03918	0.7
68.84457	0.3
69.03439	0.4
69.21309	1.8
70.06573	0.7
70.85333	0.3
72.08157	10.7
75.09255	0.5
76.81951	0.3
83.04810	0.3
84.08131	1.2
85.02874	0.3
86.09711	0.4
90.13217	0.3
91.05485	7.1
93.07060	0.4
94.06583	0.3
98.06026	0.7
98.43710	0.3
100.07619	0.5
107.04871	0.4
110.09676	0.4
112.11237	2.8
113.07117	3.3
119.04944	20.6
120.05236	0.3
121.06520	1.4
127.08681	0.4
129.13850	1.7
146.06009	0.7
146.16510	0.9
147.04408	100.0
148.04736	2.3
155.11790	18.1
156.12096	0.4
172.14455	7.8
174.05434	0.4
198.12430	0.7
203.11893	0.6
204.10202	35.5
205.10477	1.4
218.11769	3.7
218.41139	0.3
221.12860	0.7
266.27237	0.3
275.17529	2.9
276.17892	0.4
277.08853	0.3
284.54974	0.3
292.20203	7.4
293.20554	0.4
310.21368	0.3
318.18185	6.1
420.22916	0.7
421.21313	0.6
438.23895	45.0
439.24194	3.8
456.24951	15.9
457.25116	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	457.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.3
51.02388	0.9
51.10973	0.3
53.03963	0.3
55.01875	0.6
57.03441	0.3
68.99451	0.3
68.99798	5.1
69.03435	0.6
69.38937	0.4
69.39342	1.5
70.06582	0.7
79.01858	5.9
81.03410	0.5
86.09681	0.6
87.00840	0.4
91.05505	0.3
95.05017	0.4
97.02897	1.6
105.03380	0.6
107.01337	1.5
107.04948	0.4
109.02884	0.5
111.00798	2.0
115.05443	0.4
117.45043	0.4
121.06492	0.3
121.97968	0.3
123.04428	1.1
125.02354	3.6
127.03922	12.8
127.11186	1.1
128.11464	0.4
133.02858	0.7
139.03902	5.2
140.04272	0.3
141.07031	0.3
141.10414	0.3
143.03406	7.5
145.06496	1.0
145.12277	0.3
147.04413	1.3
149.02327	0.7
151.03917	2.4
153.01836	100.0
153.02911	6.2
154.02179	2.7
155.04887	0.3
157.06503	0.7
159.04463	0.8
161.02284	0.4
161.06020	0.5
163.03854	0.5
171.04375	3.6
172.04958	0.3
173.06018	1.9
175.03932	2.6
177.05481	1.2
179.03401	14.9
180.03777	0.4
183.04390	0.7
185.06023	1.1
189.05452	1.0
197.05887	0.4
199.03909	6.3
199.05605	0.6
201.05431	2.7
203.03381	4.0
204.03984	0.3
213.05502	3.1
217.04974	2.4
219.06526	2.1
220.06992	0.3
227.03418	1.2
229.04939	1.7
231.02884	0.4
231.06519	0.5
241.04932	1.8
245.04463	4.6
257.04440	1.6
259.06006	1.0
267.02838	0.4
269.04395	1.5
285.03891	0.7
287.05518	30.9
288.05771	2.1
303.05008	8.2
304.05270	0.5
305.06558	6.6
306.06970	0.4
313.03580	0.9
331.04459	8.1
332.04800	0.6
454.25168	0.3
457.12137	0.3
457.24768	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	457.1121
Annotation	FMN
Peak:m/z	Relative Intensity
52.16357	1.0
53.03946	6.2
55.01876	2.1
57.03440	8.6
59.05006	6.0
68.99789	1.2
69.03431	15.8
70.02962	1.2
70.06596	2.4
71.01358	1.4
71.04994	8.4
71.28381	1.3
72.08144	3.8
73.02917	3.6
81.03423	26.5
84.08144	2.0
85.02920	3.8
86.09700	1.6
87.04450	1.3
88.03990	9.0
91.05495	3.3
94.06571	7.1
97.02908	2.7
98.98467	19.8
99.00837	1.2
99.04455	13.0
104.03487	2.2
109.02892	1.8
117.05491	11.9
118.06553	1.7
119.04947	6.1
120.04476	1.8
120.27686	1.0
121.06519	2.9
127.03947	3.5
130.06569	1.2
133.51108	1.1
144.08049	1.4
145.04945	1.1
145.07602	3.5
146.06018	17.6
147.04419	28.6
147.09201	3.9
148.04752	9.1
155.11794	4.6
157.06432	1.6
157.07660	2.1
159.09152	6.1
170.05965	1.6
171.09177	2.0
172.08713	34.0
172.14470	3.1
173.07106	5.3
174.04086	2.6
174.05536	7.6
175.08720	4.2
183.09142	1.7
184.02373	1.3
184.08710	2.7
185.09380	1.2
185.10886	1.6
188.06972	1.8
190.09758	2.0
198.06680	9.9
198.10156	2.4
199.12294	1.5
200.08247	4.9
201.10425	1.1
202.03514	3.2
204.10231	7.4
205.10583	3.5
209.10841	1.9
210.10333	1.3
211.10925	1.3
213.03848	5.4
214.09753	4.5
216.07692	25.0
218.09128	2.0
219.07733	3.8
224.11810	2.8
229.08456	3.0
231.05000	1.6
243.08789	59.1
244.07164	2.9
244.09270	1.7
252.11224	2.2
258.44385	1.1
292.20035	2.1
293.20575	1.5
295.09323	1.2
297.09656	1.5
316.12891	1.9
323.11252	3.6
334.09293	2.2
334.67792	1.3
341.12491	10.2
359.13486	46.2
360.13785	3.0
377.14435	5.1
396.09586	10.8
397.07928	1.6
403.11292	3.7
414.10608	12.3
415.10486	1.9
421.08795	7.7
438.23947	7.9
439.10129	100.0
439.23578	10.2
440.10526	5.4
456.24762	1.9
457.11151	28.8
457.25452	5.2
458.11438	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	457.1128
Annotation	CHEMBL159433
Peak:m/z	Relative Intensity
51.02380	1.3
51.53199	0.7
53.03952	1.0
55.01866	1.1
55.05504	1.6
65.03944	5.6
67.05481	1.3
68.02660	0.8
68.99785	1.7
71.01350	1.3
73.27653	0.6
79.01857	1.1
81.03407	1.9
81.09066	0.8
82.61506	0.7
83.04971	1.7
85.02895	0.9
91.05465	0.7
93.03400	2.0
93.07033	0.8
95.04966	1.7
96.02139	1.2
102.24548	0.7
105.03375	1.1
106.62081	0.6
107.01328	0.7
109.02903	0.9
111.04446	4.8
112.98855	0.7
123.04433	99.2
124.04765	2.1
125.02359	0.9
127.03926	1.3
133.06509	0.9
139.03902	50.6
140.04198	1.4
147.04425	4.2
151.03911	16.3
152.01010	1.7
153.01845	4.5
157.04973	12.7
163.03793	0.8
163.07472	0.9
165.05446	1.4
167.03397	100.0
168.03729	2.2
189.05487	1.7
193.88409	0.8
213.05408	1.2
231.06548	1.2
255.06587	1.8
273.07602	6.6
277.17612	1.2
291.08627	2.5
295.18887	0.9
456.23108	0.8
457.07361	2.4
457.24078	41.7
458.24619	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	457.1918
Annotation	(LRha)3
Peak:m/z	Relative Intensity
50.52045	2.6
57.11035	2.4
57.52047	2.7
59.05004	26.2
61.14691	2.6
63.73641	2.4
65.86892	2.5
67.05508	6.5
71.05000	51.6
71.22118	2.6
71.22461	4.7
75.04474	2.9
79.62411	2.5
83.04975	8.4
85.02914	31.7
85.54620	2.7
88.31396	2.9
93.41380	2.7
95.04970	7.7
101.06024	29.0
101.97359	3.0
110.69579	2.4
111.04426	6.9
113.06014	100.0
129.05464	9.3
131.07043	44.8
147.06487	6.9
149.06972	5.4
149.08099	71.8
176.90543	3.0
303.37723	2.6
394.98337	3.4
439.19135	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	457.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25202	1.0
56.96538	1.5
61.14694	1.1
70.88896	1.3
82.04342	1.0
93.07025	1.5
147.64409	1.1
153.01845	15.4
153.02980	2.1
180.65370	1.2
192.75212	1.1
204.12048	1.0
277.14764	2.1
301.76706	1.2
398.34106	1.2
408.37894	1.1
457.21973	100.0
458.22366	7.7
466.09805	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	457.2199
Annotation	berkeleydione
Peak:m/z	Relative Intensity
54.39629	1.4
56.96580	1.6
61.02205	1.3
70.52686	3.9
70.75822	1.3
72.28516	1.3
76.95584	1.7
84.04500	2.3
86.09721	1.8
98.97596	2.6
130.05106	1.5
139.03905	4.3
139.23531	1.6
147.07568	1.8
153.01854	9.3
155.40253	1.7
209.08507	1.8
217.90297	1.4
295.15701	6.3
337.16818	4.9
457.21945	100.0
458.22339	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
59.85914	0.4
63.87324	0.4
69.14206	1.3
69.14632	1.5
88.93732	0.4
94.34000	0.3
144.59193	0.4
155.03131	0.9
157.74974	0.3
203.05229	3.4
277.17749	4.5
279.19330	0.6
295.18805	1.7
311.43710	0.4
325.03217	3.7
385.18707	0.5
427.23071	2.3
439.22495	0.5
457.07416	7.8
457.24075	100.0
458.07819	0.9
458.24344	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	457.2411
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
52.32356	0.4
53.03944	0.5
67.01877	0.7
69.02682	4.6
71.32667	0.4
81.07053	0.5
85.02898	0.6
85.35666	0.4
91.05487	1.5
92.05829	0.8
105.07021	0.6
107.08581	0.7
109.02941	0.5
109.10170	0.6
113.28727	0.5
119.04958	2.8
120.05318	1.7
123.04461	2.0
127.03972	1.4
130.09212	0.4
133.10176	0.5
137.06020	0.6
139.03899	1.7
147.04425	11.5
148.04744	6.7
149.04968	2.3
151.03964	1.1
153.01855	4.4
153.02966	1.1
167.03444	1.3
175.95241	0.5
179.03349	0.6
191.25279	0.5
228.02834	0.4
253.82976	0.5
273.07578	0.7
275.08313	0.6
277.17758	6.0
277.20331	0.7
280.10403	0.5
295.18900	3.4
305.05649	0.7
317.08420	1.0
325.03378	0.8
382.54230	0.5
413.21750	0.6
439.23233	1.6
457.24149	100.0
458.24417	7.0
468.52328	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	457.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05508	0.9
63.48150	0.6
63.84614	0.6
65.03932	1.1
67.01891	1.4
69.03453	0.7
71.30042	0.8
75.06574	0.6
79.05537	0.7
81.03442	0.8
81.07072	1.5
91.05478	5.9
91.25658	0.7
92.05846	2.4
93.07063	1.9
95.04950	1.0
103.05480	1.3
105.07065	1.0
109.02920	2.8
109.10181	1.3
114.07248	0.7
119.04952	11.3
120.05301	4.3
121.05676	1.3
121.06543	4.5
122.06876	2.2
125.09637	0.6
127.03959	1.9
128.04257	1.7
137.09587	0.8
146.06067	1.3
147.04417	40.5
148.04755	25.3
149.04967	9.9
151.07578	0.7
153.01869	2.9
158.19223	0.8
165.09100	5.7
168.05678	0.7
169.15860	0.7
169.38336	0.7
173.94647	0.7
199.07597	0.9
203.05269	6.1
221.70723	0.7
274.07889	0.7
275.08386	0.7
277.17776	4.5
295.18912	1.6
312.12503	0.7
449.80740	0.9
457.24069	100.0
458.24475	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	458.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02377	0.7
53.03948	3.1
54.39238	0.1
55.01869	0.4
65.03935	0.4
68.99855	0.5
69.00282	0.5
69.17243	0.1
77.03928	0.8
78.04752	0.1
79.05495	0.2
79.20655	0.1
81.03405	0.6
91.05482	15.3
92.05816	0.4
93.07043	20.1
94.07374	0.5
95.04973	5.3
96.05319	0.1
98.22543	0.2
98.90444	0.1
101.18958	0.1
102.04678	0.3
103.05469	18.0
104.05797	0.6
105.04517	2.4
106.04863	0.1
121.06506	100.0
122.06831	3.0
163.05424	0.2
165.07094	0.1
165.09138	0.3
176.27818	0.1
181.06500	0.6
191.04947	0.7
197.06056	0.3
209.05923	0.5
218.05995	0.3
219.04385	0.5
221.05954	1.0
222.20920	0.1
225.05457	0.1
236.04893	0.2
236.07080	0.8
237.05472	2.3
238.05914	0.2
246.05521	0.8
247.03841	1.1
247.05971	0.1
249.05420	1.5
264.06494	0.8
265.04926	2.0
266.05222	0.2
266.39487	0.1
267.06573	0.2
274.05115	0.4
275.03256	0.2
277.05087	0.4
292.06052	1.9
293.04395	6.5
293.60306	0.1
294.04779	0.6
295.05942	1.0
302.04593	0.2
310.07239	0.3
311.05450	2.1
312.05618	0.2
320.05542	2.4
321.03860	6.2
321.84631	0.1
322.04340	0.3
334.07507	0.2
338.06583	13.1
339.04623	2.5
340.05438	0.2
353.06702	0.2
364.08231	0.3
381.06195	0.2
390.59299	0.1
458.12326	38.7
459.12686	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	458.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20128	1.6
51.84550	1.4
53.03942	2.4
55.05517	8.9
57.07060	2.7
61.35320	1.4
65.03962	2.5
67.05508	47.0
69.07060	8.8
79.05487	15.8
80.75855	1.4
81.07058	100.0
83.08627	10.2
85.06551	2.6
91.05470	10.8
93.07040	15.9
93.07442	1.3
95.04996	1.9
95.08607	52.9
97.06515	3.8
97.10175	6.5
99.08101	4.7
105.07046	6.9
105.97031	1.4
107.08601	12.0
109.10161	28.3
111.08102	4.9
111.11735	2.4
119.08588	8.7
120.96659	2.6
121.10146	17.1
123.11716	14.1
123.62534	1.6
125.09611	2.0
127.07584	10.7
131.08560	3.1
133.10133	14.1
135.11667	11.0
137.09637	3.8
137.13249	10.5
139.11288	1.5
143.10716	2.7
145.08606	9.9
145.10107	2.4
146.87254	1.4
147.11678	15.2
149.13272	6.1
151.11208	9.0
151.14854	1.7
159.11726	2.9
161.13283	3.2
163.14864	4.6
165.12744	10.3
169.12245	1.9
173.13312	3.8
183.13828	5.1
195.13930	1.6
197.15529	1.6
205.19818	1.7
209.15390	1.9
210.49619	1.5
223.16980	2.0
229.19531	24.8
230.19925	1.9
247.20566	21.6
248.20930	2.7
265.21616	33.5
279.23215	13.9
297.24274	5.5
459.30862	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	458.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.4
56.48175	13.8
67.05504	35.9
69.07027	23.8
69.16713	69.4
69.17120	55.0
70.08864	17.6
79.05491	44.1
81.07056	78.9
85.06533	24.9
91.05489	42.8
93.07064	93.5
95.08619	100.0
98.22601	37.2
105.07023	68.4
107.08607	63.3
109.10171	40.3
119.08566	36.8
121.10149	60.1
123.11711	22.6
133.10136	41.7
135.11723	37.0
149.13293	37.9
161.13329	24.8
196.34097	17.2
309.35587	19.1
458.44595	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.9339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41368	6.2
59.89564	6.9
67.09874	7.3
69.69372	7.3
70.56780	15.8
70.57117	8.0
104.99277	52.1
120.96635	51.4
202.97006	22.1
253.94867	7.1
278.95261	10.7
287.07382	7.0
294.92807	100.0
302.05603	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	459.0922
Annotation	Gallocatechin 3'-O-gallate
Peak:m/z	Relative Intensity
60.45770	0.8
63.23481	1.0
65.03932	2.0
68.99798	1.7
69.27271	3.2
69.27699	2.8
70.06613	0.9
71.01340	1.2
73.54771	0.8
79.01854	3.0
85.02898	2.8
86.09705	1.3
93.03385	2.7
97.02930	1.3
98.60583	0.9
109.02940	1.1
111.04460	4.2
123.04429	13.9
125.02385	1.1
127.03919	14.6
135.04367	1.8
139.03896	12.5
143.03395	6.3
151.03909	17.5
153.01831	100.0
154.02223	1.8
155.03389	28.0
157.84247	1.0
159.04454	1.2
159.07390	1.0
163.03867	3.1
166.89391	0.8
179.03334	0.9
187.03831	2.2
197.05980	1.5
215.06926	1.3
225.05473	1.5
235.43462	1.0
243.06400	0.9
261.07565	1.3
271.06006	19.9
272.06339	1.8
289.07199	2.6
305.76730	0.9
339.54816	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	459.0923
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
51.02383	0.6
53.00311	1.0
55.01870	0.4
65.03938	1.3
67.05490	0.4
68.99783	0.9
69.05517	1.6
69.05941	1.7
77.99220	0.4
79.01854	2.2
86.09702	1.0
93.03385	0.6
95.04965	0.6
96.37070	0.4
97.02905	0.8
107.01324	0.4
107.04955	0.6
111.04442	1.5
117.03322	0.4
121.02848	1.0
121.75776	0.4
123.04445	3.9
125.02340	0.7
125.47966	0.4
127.03912	0.7
133.02867	0.5
135.04459	1.1
139.03900	100.0
140.04204	2.4
143.03377	3.0
145.02866	0.7
145.60321	0.4
149.05942	0.4
151.03900	9.3
153.01830	24.4
153.02936	1.9
154.02130	0.9
159.04434	0.9
163.03915	6.1
173.17271	0.4
177.05421	1.0
179.07109	0.5
181.04984	3.0
187.03783	0.4
195.06685	0.6
196.36639	0.4
205.04958	3.3
229.04944	0.7
271.06036	0.7
289.07104	3.7
307.07977	1.6
330.83017	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	459.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.00312	0.9
53.11272	0.2
55.01877	0.5
55.05487	0.3
56.22774	0.3
65.03946	1.3
67.05510	0.5
68.99783	0.9
69.03448	0.3
69.98299	0.2
70.06591	2.6
70.68610	0.3
71.29966	0.3
72.08142	0.7
79.00446	0.3
79.01855	2.3
83.04973	0.4
84.08167	0.3
86.09702	3.1
93.03419	0.6
95.04959	0.8
97.02890	0.4
97.86758	0.3
107.01307	0.4
107.04960	0.7
111.00803	0.5
111.04430	1.5
121.02894	1.2
121.06585	0.3
123.04426	3.9
125.02348	1.0
127.03922	0.6
131.04918	0.4
133.02867	0.6
135.04401	1.0
136.07614	0.5
139.03905	100.0
140.04250	1.6
143.03389	2.5
149.05962	0.6
149.67848	0.3
151.02911	0.1
151.03908	10.3
153.01836	24.7
153.02942	2.0
153.27425	0.3
154.02155	0.8
159.04411	0.7
161.12776	0.3
163.03905	5.8
169.04994	0.4
177.05496	0.9
179.07016	0.6
181.04968	3.7
182.05002	0.3
187.03879	0.4
201.05595	0.4
205.04971	3.4
208.02876	0.4
226.41972	0.3
247.06113	0.4
271.06079	0.6
289.07098	4.4
307.08093	1.6
367.08447	0.3
458.31326	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	459.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71231	0.1
55.05506	0.2
62.78516	0.2
64.86089	0.1
67.01497	0.1
67.01865	0.6
68.99802	0.5
70.55225	0.4
79.05484	0.3
80.17334	0.1
81.03427	0.2
86.09716	0.2
89.08103	0.1
91.05468	0.4
92.58745	0.2
93.07026	0.2
95.04968	0.2
97.02937	0.2
103.05444	0.7
115.05444	1.2
117.07001	1.9
119.04956	0.2
123.04399	0.2
127.05468	0.3
131.04953	0.8
137.49791	0.2
139.03937	0.2
145.06476	5.2
147.04391	0.4
153.01823	9.2
154.02167	0.2
155.06061	1.8
157.06433	0.2
171.02892	0.8
171.04390	0.8
189.05472	0.2
196.75385	0.2
199.04587	0.2
237.05370	0.2
251.07088	0.5
255.06555	0.2
269.08014	0.7
279.06534	0.4
297.07562	100.0
298.07925	6.0
315.04910	0.2
459.12756	0.5
459.26422	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	459.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01879	1.1
57.03431	0.9
61.40895	0.8
62.77957	0.8
65.03947	1.0
68.99802	1.4
69.35402	3.1
72.08143	0.7
79.05505	1.1
80.79373	0.7
81.03427	2.1
81.07066	1.0
85.02925	3.2
86.09704	3.6
91.05499	3.1
93.07076	2.4
95.05027	0.9
95.25119	0.7
97.02910	1.2
101.44973	0.7
105.07047	1.1
107.04983	2.1
109.02907	1.7
115.05426	1.0
117.07057	2.4
119.04990	2.3
121.02859	1.8
121.10166	3.2
123.00796	0.9
123.04429	1.2
131.04945	1.7
137.02362	1.2
139.03958	1.3
141.01874	3.1
144.05714	2.6
145.06496	6.2
147.04408	7.2
149.02402	2.1
149.09616	2.0
153.01883	3.1
155.06117	1.6
163.03848	3.8
165.01852	25.1
167.03410	6.4
168.03764	1.0
171.04414	2.8
177.01929	1.7
177.05536	1.0
183.02933	5.7
187.03975	0.9
191.03412	2.5
195.02936	3.1
205.05060	1.6
215.03372	1.2
229.11783	0.9
233.04488	1.3
243.03127	1.0
261.78577	1.0
292.07050	1.5
293.08115	5.7
295.06183	2.5
297.07565	5.2
305.08148	1.4
307.09677	6.2
309.07581	100.0
310.07983	6.9
319.09781	1.0
321.07632	9.7
321.11282	1.9
323.05811	1.1
323.09247	2.6
331.09607	1.7
333.07742	2.2
334.08319	1.9
335.05521	1.7
335.09131	19.5
336.09265	1.2
337.07254	1.1
339.08664	66.4
340.08981	4.9
347.09143	2.5
349.06927	0.6
349.10727	16.1
350.11218	1.5
351.08789	1.1
359.09140	3.5
363.08649	37.4
364.08887	3.4
375.08533	10.2
376.09094	1.5
377.10223	3.2
387.08533	8.6
392.12119	0.9
393.09695	16.9
394.09909	1.0
405.09686	21.1
406.09894	1.1
423.10739	21.4
423.16010	1.6
423.48343	1.1
424.11234	1.9
441.11746	10.7
459.12286	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.01870	7.2
55.05511	27.4
57.03439	6.4
58.29843	1.0
65.03941	3.5
67.05505	33.1
69.03417	4.0
69.07071	8.1
69.99279	3.3
71.04986	3.7
79.05493	34.3
80.64591	1.0
81.03418	100.0
81.07057	27.2
81.24048	1.1
82.03768	1.7
83.04985	7.5
83.08620	24.8
85.06523	1.3
91.05486	35.2
93.07047	20.8
95.04969	32.3
95.08604	13.2
97.02892	2.8
97.06525	3.3
97.10168	15.1
99.08085	1.6
103.05493	1.8
105.04540	1.2
105.07024	27.3
107.04957	20.1
107.08606	11.7
109.06506	5.1
109.10168	7.6
111.04449	2.7
111.08083	8.4
113.05981	1.3
115.05457	4.2
116.06232	1.4
117.07001	9.9
119.04939	2.3
119.08585	17.4
121.06497	11.9
121.10139	8.1
123.04446	2.6
123.08066	3.9
123.11720	1.7
125.09636	8.7
128.06245	2.8
129.07008	18.8
131.04916	6.7
131.08571	16.6
133.06500	10.4
133.10130	8.3
135.08047	3.5
135.11678	2.1
137.09613	2.3
141.07013	4.1
142.07767	3.9
143.08585	6.6
144.05722	2.9
145.06485	30.3
145.07616	2.2
145.10127	6.6
146.06778	1.2
147.08073	8.7
147.11691	8.4
149.09634	7.0
151.11232	1.4
153.09102	1.9
154.07831	1.2
155.08548	7.0
157.06488	6.6
157.10129	14.3
159.08058	5.8
159.11678	2.0
161.06018	3.3
161.09618	2.8
163.11278	2.0
165.12828	2.1
167.08536	3.0
169.06529	2.0
169.10127	4.9
170.07178	1.4
170.37454	1.1
171.08061	6.6
171.11703	4.5
173.09648	2.4
173.13371	1.4
174.75923	1.2
175.07639	1.2
175.11177	12.4
181.10150	3.3
183.08134	2.6
183.11681	2.6
185.09639	3.8
185.13162	2.6
186.77623	1.2
187.11208	1.7
187.14944	1.3
189.11221	6.8
189.12701	2.0
191.66785	1.0
193.12239	57.8
194.12491	2.3
195.08028	1.8
195.11765	3.6
197.09627	3.5
197.13315	4.3
199.11232	3.2
205.12151	1.5
209.13376	1.9
211.11191	2.1
213.12744	2.6
215.14322	3.8
223.11168	1.4
225.12778	3.2
227.14326	3.5
233.15385	5.5
237.12744	4.1
243.13765	2.5
249.14944	4.6
255.13716	8.7
257.15353	1.9
269.15421	1.8
271.17026	1.6
273.14847	21.8
287.16437	3.5
299.16412	2.0
331.20685	1.3
339.23294	7.2
349.21655	17.8
350.22003	1.5
357.24313	4.9
367.22675	47.4
368.23001	3.9
377.25037	1.1
385.23706	33.2
386.24030	3.7
403.24796	7.1
405.24252	2.6
423.25140	1.5
441.26389	6.9
454.61060	1.1
459.27423	81.9
460.27600	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01875	10.5
55.05512	70.4
57.03431	5.5
63.47805	2.1
65.03934	4.9
67.05507	54.5
68.81760	1.9
69.03428	5.3
69.07063	16.1
71.04993	3.8
79.05497	55.7
81.03404	2.9
81.07053	41.0
83.04992	7.0
83.08617	26.8
85.06569	3.0
87.04492	2.2
90.46003	2.3
91.05485	46.5
92.49181	2.0
93.07040	27.4
95.04955	9.0
95.08608	12.6
97.06567	3.9
97.10172	54.2
97.10777	3.5
103.05467	26.4
105.04501	3.0
105.07035	38.5
107.04963	6.3
107.08590	32.1
109.06538	3.1
109.10138	12.1
115.05450	11.3
117.07020	64.0
119.08584	19.6
121.06510	2.7
121.10146	5.8
123.08049	2.6
125.09638	45.2
128.06239	8.8
129.06995	35.4
131.04929	3.7
131.08569	47.6
133.06511	9.8
133.10141	9.1
135.08078	14.8
137.09567	2.7
141.06964	14.4
143.04863	2.7
143.08557	17.3
145.06473	19.0
145.10115	16.9
149.09639	6.2
153.07065	2.5
153.09109	4.7
155.08545	20.8
156.09250	3.7
157.06471	5.7
157.10121	8.2
157.58412	2.2
159.08060	5.4
159.11687	6.2
161.09612	2.7
165.06932	3.5
165.09094	2.3
166.07869	2.0
167.08568	8.2
169.10094	11.4
170.10510	2.7
171.08055	5.0
171.11674	6.1
172.22154	2.1
173.09634	4.3
173.13159	4.2
175.11160	2.3
179.08591	2.8
180.09315	3.5
181.10129	4.6
183.11693	2.8
185.13338	6.1
187.14845	18.3
189.11232	32.6
191.10583	2.2
195.11681	3.4
197.13258	17.0
199.11154	3.5
205.10384	3.1
213.12758	7.3
215.14314	100.0
216.14720	6.2
221.13354	3.2
227.12770	39.0
228.13329	3.0
233.15439	4.1
237.12790	3.5
241.12207	4.1
245.13922	4.5
259.13470	2.5
269.15311	2.7
271.16940	6.5
321.22092	2.3
339.23318	6.0
349.21686	15.4
366.45322	2.2
367.22690	34.1
385.23706	26.2
400.52386	2.2
403.24832	5.7
427.25616	4.3
441.26334	54.3
442.26648	4.3
459.20847	4.6
459.27390	75.2
460.27835	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	460.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.11963	0.3
55.56603	0.2
56.65032	0.3
59.04981	0.3
60.32761	0.2
61.02917	0.2
69.03416	0.5
70.06580	0.4
71.28146	0.3
72.08133	0.4
73.06551	0.8
77.03956	0.6
79.01846	0.3
80.04990	0.5
81.03398	0.6
85.02909	0.5
86.09713	0.4
91.05486	4.0
93.07047	8.7
94.07339	0.3
95.04964	1.2
97.02885	0.4
103.05470	5.3
105.04508	0.7
108.04459	1.5
109.02866	0.5
117.09107	0.3
121.06509	53.0
122.06831	2.0
127.03947	0.3
136.03951	2.9
142.90076	0.3
149.11713	1.1
150.05486	0.5
153.01846	3.0
153.02953	0.6
154.04984	1.1
178.05000	68.0
179.05348	2.5
298.10745	100.0
299.11099	5.2
422.32135	0.3
452.74005	0.3
460.16052	15.7
461.16263	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	460.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
63.44490	0.7
65.41920	0.7
68.87502	0.6
70.06620	0.9
71.08635	19.9
71.28052	0.8
71.28419	0.9
81.03386	1.0
88.11272	91.4
89.11580	1.0
91.05490	4.2
93.07046	6.5
95.04979	1.7
103.05464	5.0
105.04524	0.7
109.02877	1.7
121.06511	100.0
122.06856	3.1
130.06490	1.3
138.08105	1.5
138.09149	22.7
139.09567	0.9
146.06010	1.0
158.06004	5.7
173.07121	2.9
193.35759	0.9
222.36049	0.8
222.55084	0.8
249.34869	0.8
259.07159	1.1
261.08810	1.2
287.06448	1.0
305.07758	1.1
382.31158	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	460.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20351	1.3
53.03959	2.3
55.05514	9.2
56.04762	1.4
56.05040	4.3
57.03438	2.4
57.07084	2.0
59.57365	1.3
60.04519	2.3
60.97911	1.4
67.05507	19.6
68.05038	1.8
69.03436	5.1
69.07079	8.1
69.60303	1.5
71.08660	1.7
71.29739	1.5
79.05504	14.1
80.05013	3.2
81.03433	4.7
81.07061	15.2
82.06580	6.6
83.05008	1.8
83.08623	5.3
85.02907	11.2
86.06026	2.0
91.05474	7.2
93.07063	10.9
94.06564	5.9
95.04967	4.3
95.07357	1.6
95.08612	12.6
96.08138	5.3
97.02882	3.0
97.06541	1.3
97.10188	3.1
100.07633	1.4
105.07018	8.1
107.08624	3.7
109.10162	3.8
119.08598	4.7
121.10163	3.8
127.03933	2.0
129.06993	1.6
131.08614	1.6
133.10136	2.8
135.11662	1.4
138.99722	1.4
149.09749	1.5
157.10170	2.1
245.22859	1.7
250.25308	3.4
262.08694	1.4
262.25342	24.4
263.25928	2.0
264.26910	4.0
280.26358	100.0
281.26797	4.7
298.27496	4.5
322.27322	1.7
412.30539	1.5
442.31546	7.3
460.27460	1.9
460.32999	2.0
461.28897	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	461.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02383	0.9
55.01876	0.2
65.03962	0.2
68.99781	0.2
69.03410	0.5
70.06587	0.4
70.43633	0.4
73.04748	0.2
79.01858	8.0
81.03423	0.7
86.09692	0.2
87.00824	0.2
91.05815	0.3
95.04961	0.5
97.02899	1.6
107.01312	2.2
109.02902	0.8
114.82169	0.1
121.02872	1.5
121.06516	0.6
122.06844	0.2
123.00809	0.3
125.02354	4.1
127.03935	1.3
131.76801	0.1
133.06473	0.1
135.00833	0.2
139.03922	1.0
140.04253	0.4
141.04424	0.2
143.03401	7.8
144.03841	0.1
153.01837	100.0
153.02914	6.9
154.02165	2.7
154.03397	0.2
167.05518	0.2
171.02946	1.4
178.05005	0.5
179.05321	0.2
199.03973	0.2
204.30055	0.1
217.05118	0.1
227.03256	0.1
263.05423	0.1
273.03906	0.6
291.04950	0.4
298.10800	0.2
299.11206	0.8
299.16769	0.1
313.22198	0.2
329.21878	0.2
436.58072	0.2
460.68912	0.2
461.07208	0.9
461.14972	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	461.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02381	0.9
53.00296	0.2
55.01867	0.3
55.05525	0.1
64.93663	0.1
69.03426	0.2
69.07066	0.3
70.06586	0.5
71.28947	0.1
72.08158	1.1
72.26994	0.1
73.04759	0.2
74.06078	0.1
79.01853	6.7
79.87875	0.1
81.03416	0.7
83.06107	0.2
84.04505	0.6
84.08128	0.3
86.09705	3.4
87.00815	0.3
91.33530	0.1
95.04954	0.4
95.26698	0.1
97.02899	1.3
102.05553	0.2
107.01318	1.8
109.02898	1.6
117.91519	0.1
120.06607	0.2
121.02858	1.5
123.00790	0.3
125.02349	3.8
127.03917	1.6
133.06482	0.5
139.03923	1.0
141.04361	0.1
143.03403	7.0
144.03702	0.2
144.06528	0.3
153.01830	100.0
153.02878	5.7
154.02158	2.6
162.07663	0.4
171.02902	1.5
173.12875	0.3
183.11243	0.2
184.04454	0.2
187.14551	0.2
197.12935	0.2
201.12207	0.2
210.02400	0.2
215.13933	0.4
219.02937	0.2
243.13379	0.2
247.13051	0.1
261.14575	0.3
273.03796	0.2
291.05054	0.3
338.48682	0.1
407.09988	0.1
461.07224	1.5
461.16684	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	461.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33422	0.6
57.03426	0.9
68.99794	1.1
69.03433	21.6
69.15235	5.2
76.60877	0.9
85.02908	4.4
85.87988	0.8
93.07059	0.7
97.02895	14.7
105.06997	0.7
109.02936	0.7
111.00889	0.8
115.03929	10.9
121.02884	5.8
126.84731	0.7
131.04950	0.8
137.02361	1.6
145.06480	0.9
153.01826	7.3
157.05042	1.2
165.01822	1.1
175.06033	4.0
213.05458	2.1
241.04999	1.0
258.05164	1.7
281.08228	0.9
287.05502	100.0
288.05847	6.4
299.05511	6.6
337.07022	1.0
365.06583	3.1
383.07794	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	461.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39246	0.7
53.81469	0.8
55.01874	7.9
57.03432	1.1
59.33033	0.7
61.02917	1.5
68.99808	1.2
69.03429	6.4
69.07011	0.7
69.21471	5.4
71.01336	1.4
76.43779	0.8
79.05475	1.0
83.35499	0.9
85.02909	4.5
89.46590	0.8
91.05460	1.8
93.07052	1.7
95.04984	1.9
95.08622	0.9
97.02902	4.8
98.23299	1.6
103.05482	1.8
107.04961	1.1
111.00835	1.5
115.03940	11.6
121.02905	4.3
121.06507	5.3
127.03941	0.9
133.02853	1.0
137.06007	1.8
147.04475	2.6
151.07530	0.9
153.01855	9.2
161.06030	0.9
165.01877	1.8
165.09142	2.4
175.06033	2.2
175.07516	1.2
183.02930	0.8
201.05450	1.7
213.05505	1.6
219.17493	1.0
222.06702	1.0
231.06564	0.8
258.05322	1.2
265.08691	1.1
287.05499	100.0
288.05908	4.3
292.07355	1.4
299.05615	0.9
307.09460	1.1
325.10843	3.7
365.06476	1.6
386.77985	0.9
461.14886	1.3
462.18927	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	461.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25176	0.2
51.41640	0.3
57.82627	0.2
61.02925	0.3
68.02903	0.2
68.99799	2.7
69.03419	0.4
71.29211	0.2
83.22369	0.2
85.02926	0.7
85.85157	0.3
90.83458	0.3
93.07052	0.4
97.02866	0.3
101.02385	0.9
103.05467	0.6
117.03383	0.5
119.17518	0.2
121.06516	3.6
122.06911	0.2
123.04440	1.2
125.02369	0.3
135.04457	1.3
138.09193	0.3
139.03902	0.3
139.05463	0.3
143.03403	0.3
145.02863	0.6
147.04413	0.9
151.03893	0.3
153.01837	3.9
153.02959	0.4
154.02222	0.3
155.04962	0.3
163.03908	7.7
167.03391	0.9
171.04463	0.3
173.05986	4.7
174.06340	0.3
175.03969	0.4
178.04968	0.4
185.06015	1.3
189.01869	0.8
189.05424	0.4
197.06001	0.4
199.03937	0.7
200.04601	0.4
201.05469	5.6
202.02565	0.2
203.03404	4.5
203.05148	0.4
203.07104	0.8
213.05452	3.4
214.05898	0.2
218.05777	1.2
223.04062	0.3
227.03362	0.8
227.07025	0.7
229.04713	0.3
231.06490	0.9
233.08131	1.0
241.05020	0.8
245.08073	0.6
255.06520	0.5
259.06055	5.5
260.06317	0.3
268.03525	0.3
269.04498	1.5
273.04709	0.3
273.07443	1.5
283.06052	0.5
285.03851	1.2
286.04688	0.8
287.05444	0.3
299.11237	0.6
300.12302	4.9
301.07031	1.2
313.03427	9.9
314.04169	6.5
315.04636	0.4
326.61621	0.3
329.06564	100.0
330.06891	5.4
359.02771	0.5
409.52814	0.3
460.25958	1.8
461.10406	1.6
461.20483	0.4
461.26273	1.6
464.42896	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	461.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.21308	0.2
59.84365	0.2
68.99796	1.9
69.03418	0.5
79.01849	1.6
79.05489	0.3
81.03432	0.3
81.46992	0.2
85.02900	0.5
93.07026	0.4
95.04958	0.3
97.02887	0.6
98.23423	0.5
101.02359	0.7
103.05507	0.3
106.02921	0.3
107.04917	0.4
109.02850	0.2
111.00832	0.3
117.03376	0.4
121.02914	0.5
121.06501	2.8
123.04422	0.9
124.03957	0.3
125.02329	0.9
126.26176	0.2
127.03919	0.4
131.04942	0.4
134.63712	0.2
135.04402	0.7
139.03944	0.3
143.03409	2.3
145.02861	0.7
147.04414	1.1
151.03902	0.2
153.01828	24.8
153.02914	1.6
154.02109	0.5
155.04884	2.0
163.03902	6.1
166.08780	0.3
167.03450	0.5
167.04817	0.4
171.02924	0.3
171.04376	0.4
173.06052	0.7
175.03918	0.3
176.04709	0.3
183.04405	1.8
185.05962	0.6
189.05450	0.3
195.04477	0.6
199.03912	0.7
200.04526	0.3
201.05466	2.2
203.03418	2.8
203.06956	0.3
211.04237	0.3
213.05475	1.9
218.05763	0.7
220.03568	0.3
223.03941	0.4
227.07011	0.5
231.06464	0.6
233.08043	0.4
241.04907	0.8
244.03752	0.2
245.07962	0.3
255.06509	0.3
259.06046	3.1
268.03641	0.4
269.04474	0.8
273.07507	0.8
283.06064	0.4
285.03958	1.9
286.04681	3.2
287.05212	0.3
299.11099	0.3
300.12280	4.1
301.07031	0.5
313.03433	8.3
314.04178	11.6
315.04483	0.7
329.06543	100.0
330.06876	5.5
409.10721	0.3
461.10587	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	461.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
65.10426	0.4
65.98375	0.4
78.78735	0.4
79.05482	1.1
81.03426	0.6
83.42393	0.5
85.02907	1.0
91.05830	0.6
93.07032	0.6
93.77891	0.5
95.04961	1.2
97.02869	0.7
102.95544	0.6
105.04501	0.8
105.07064	0.5
107.04951	100.0
108.05292	2.2
109.02825	0.6
114.16590	0.5
121.06438	0.6
121.11059	0.5
148.08186	0.5
153.01851	1.1
160.94699	0.5
163.03954	0.6
165.01810	1.6
177.05478	0.7
179.10338	0.5
189.05460	2.6
193.04886	1.1
203.07056	1.6
203.48630	0.5
205.04953	17.1
206.05615	1.1
217.04948	3.3
229.04901	0.8
230.05595	0.6
231.06490	6.0
234.05284	0.8
235.05998	10.5
236.06461	0.5
243.06682	0.5
244.07248	0.6
245.08057	3.2
254.05627	2.7
255.06479	0.8
259.06033	2.7
271.06024	1.9
281.04599	0.5
282.05374	1.1
283.05945	0.8
299.05731	0.9
299.09149	2.0
300.09567	0.6
301.03619	0.5
301.07043	0.7
311.09116	38.6
312.09525	2.3
315.08588	7.2
323.09100	1.9
325.10657	0.8
337.10703	3.3
339.08615	0.6
341.10190	31.4
342.10516	1.7
351.12332	3.8
359.02780	0.7
361.10559	0.8
365.05508	1.1
365.10184	22.5
366.10187	1.1
377.10162	4.3
379.11792	1.2
389.10242	5.7
395.11307	10.9
396.11356	0.9
407.11295	8.8
408.11691	0.6
425.12231	9.9
426.12564	0.7
443.13492	5.5
444.14081	0.6
461.14417	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	461.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	16.2
60.05660	20.1
69.55584	12.6
70.06596	47.0
72.88378	4.1
73.04773	11.9
84.96043	9.5
91.05811	27.5
98.97577	28.1
106.77552	3.6
110.97581	9.7
116.07111	14.0
116.98607	17.4
121.06511	23.3
128.98619	9.2
134.99683	5.4
153.01866	13.4
154.38295	3.9
158.99716	5.5
161.01253	6.0
167.05588	16.5
171.10928	6.7
175.11917	60.0
177.00735	5.5
189.11974	6.6
208.97722	4.3
215.09843	8.2
219.01854	20.0
225.04292	7.0
226.98779	9.1
233.10847	5.8
237.02744	23.6
240.11929	10.4
244.99768	14.1
249.32826	4.1
251.13596	7.5
263.00723	20.2
268.85757	4.1
269.14590	70.2
287.00696	4.8
311.16879	19.4
336.16672	4.5
353.18958	16.1
359.02844	25.3
371.02710	8.5
371.20016	100.0
372.20224	12.6
389.03934	20.3
413.53424	4.7
429.09158	9.4
457.38089	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	461.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
56.05035	0.9
57.03417	0.3
70.06600	0.7
71.22002	0.4
72.08160	0.5
74.06084	6.1
84.04509	0.7
84.08129	1.0
86.06072	0.5
86.09709	0.8
91.05477	3.7
93.07048	5.4
95.04969	1.1
98.06071	0.4
102.05552	2.7
103.05473	4.2
105.04538	0.8
116.07121	1.8
120.06586	12.3
121.06510	100.0
122.06865	2.8
129.10295	0.5
130.57602	0.3
138.09143	26.7
139.09445	0.7
144.06546	1.6
153.01848	0.6
162.07616	16.5
163.07948	0.4
206.53041	0.3
259.16605	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.1
54.24751	1.3
55.01878	7.5
55.05521	23.3
57.03443	6.8
57.07067	1.6
61.27094	1.3
65.03939	4.9
67.05509	69.3
69.03427	4.3
69.07079	19.3
71.04988	6.8
71.06510	1.6
71.56857	1.5
76.52800	1.3
79.05502	55.7
81.03423	100.0
81.07064	84.7
82.03753	2.2
83.04989	10.1
83.08627	29.8
83.16812	1.4
85.06558	4.0
91.05476	51.6
93.07052	59.7
95.04980	41.3
95.08611	27.0
97.06518	9.6
97.10168	10.8
99.08081	2.9
103.05489	2.8
105.04542	1.6
105.07037	33.5
107.04974	15.9
107.08599	32.4
109.05891	1.3
109.06512	9.1
109.10166	8.4
111.04453	2.1
111.08094	12.4
113.09692	2.0
115.05479	5.6
117.07011	14.7
119.04921	1.3
119.08601	22.9
121.06514	11.5
121.10143	18.5
123.08083	5.0
123.11739	2.7
125.09629	7.5
128.06250	3.5
129.07028	20.6
131.04941	3.5
131.08586	23.9
133.06494	8.3
133.10150	14.2
135.08084	5.2
135.11736	6.2
137.09645	2.9
139.07576	1.8
141.07010	3.3
142.07843	3.0
143.08560	9.2
145.06465	9.0
145.10162	7.5
147.08023	6.7
147.11664	11.3
149.09578	8.0
149.13275	28.4
150.13644	1.6
155.08569	3.5
157.06538	2.2
157.10136	13.6
159.08116	4.8
159.11684	10.2
161.09631	1.8
163.11206	1.5
165.12733	3.5
167.14365	1.4
169.10159	4.2
171.08014	2.2
171.11702	4.7
173.13333	1.5
175.11169	11.3
177.12724	7.8
179.08519	2.2
183.11668	2.1
185.13269	3.1
189.09056	1.4
189.11259	3.3
191.53976	1.4
193.12241	35.1
194.12616	1.7
195.11859	2.4
195.13867	6.3
199.14938	3.4
201.12836	3.4
213.12964	1.7
215.14275	1.6
217.15913	5.6
227.12764	2.7
231.13937	2.3
239.14522	1.4
249.14931	3.8
255.17656	1.5
257.15509	2.4
267.15945	2.0
275.16364	1.8
300.72922	1.4
323.23889	1.5
341.24872	3.9
343.22894	2.3
351.23099	8.0
359.02969	2.2
369.24310	19.1
387.25183	8.0
405.26331	1.9
417.26596	2.7
425.27313	1.5
443.28000	18.1
444.27902	1.9
444.87024	1.6
450.16541	1.5
461.29013	94.3
462.29126	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	461.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96813	4.0
55.05515	35.5
57.07084	52.9
67.05507	18.7
69.07076	50.1
71.04996	13.8
71.08632	37.6
79.05504	23.2
81.07063	100.0
83.05011	7.3
83.08631	29.9
85.10203	20.8
91.05487	11.3
93.07054	17.1
95.08617	61.6
97.10194	20.7
98.23352	14.6
99.04442	27.1
102.08297	4.7
105.07053	10.8
107.08599	20.1
109.06522	16.4
109.10149	27.9
111.04459	8.0
111.11728	15.7
119.08579	9.5
121.10185	14.3
123.11714	13.3
125.06028	7.5
127.03934	44.3
131.08582	8.3
135.08113	9.3
135.11636	8.0
137.05988	74.4
137.13364	6.3
145.10121	14.2
151.07549	10.0
155.08559	6.2
157.10138	7.3
159.11687	22.7
161.13379	5.7
167.07129	5.3
172.08827	10.0
173.09648	38.7
173.13174	4.5
175.11194	5.5
177.09183	7.0
183.06557	16.4
187.11250	21.5
191.10786	6.6
200.33522	5.0
205.12328	9.2
219.13745	6.2
317.32126	7.5
335.33337	5.1
383.33044	12.1
401.34177	56.7
402.34583	7.1
419.35449	6.1
443.34888	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	461.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32917	3.3
53.03952	5.5
55.01859	5.7
55.05512	39.3
57.07080	69.0
67.05500	26.9
69.07071	56.1
69.10407	17.3
69.10834	13.2
71.04997	6.2
71.08633	43.6
74.89019	3.3
79.05506	16.0
81.07064	90.9
83.04987	7.0
83.08619	36.3
85.10185	28.9
88.07364	3.8
91.05482	14.7
91.75040	3.7
93.07056	19.8
93.86137	3.7
95.08598	61.8
95.09153	4.0
95.92975	3.9
97.10182	26.9
99.04488	14.0
100.08465	3.4
105.07037	18.2
107.08599	19.6
109.06535	18.3
109.10157	36.3
111.04476	6.1
111.11742	16.5
112.12961	4.2
119.08600	14.4
121.06539	5.1
121.10157	13.4
123.08081	6.1
123.11691	17.7
125.06001	9.4
127.03950	21.0
128.06018	3.6
128.35530	4.0
131.08566	13.6
133.06447	3.7
133.10149	8.8
135.08060	7.4
135.11700	8.3
137.05974	100.0
137.13213	4.3
143.08598	7.0
144.09357	6.2
145.10115	21.3
149.09686	5.8
151.07521	24.4
151.14795	8.1
157.10133	7.2
159.11679	29.5
163.07526	6.2
163.11220	5.4
165.09102	6.9
167.07031	6.4
169.10199	7.5
171.11798	5.6
172.08836	12.4
173.09622	73.6
173.13301	9.4
175.11237	12.0
177.09111	7.5
177.12741	5.0
187.11188	56.0
191.10675	14.3
193.08607	12.0
201.12747	9.4
203.10670	5.3
203.14368	5.1
205.12218	28.5
215.10753	5.0
219.13834	11.2
227.14154	5.0
229.12311	11.0
229.16019	4.9
243.17322	4.7
249.24289	4.4
257.18747	3.8
277.29007	6.4
383.33054	60.7
397.34738	18.3
401.34213	40.7
425.34174	14.3
443.35172	16.9
448.76743	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	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47796	3.9
53.03950	5.6
55.01879	4.8
55.05514	45.7
57.07078	81.3
63.37757	4.8
67.05520	26.9
69.07077	71.7
69.26390	27.7
71.05005	15.4
71.08633	52.1
79.05487	26.8
81.07066	100.0
83.04969	5.8
83.08631	54.6
85.10181	24.5
91.05486	21.0
92.19374	4.7
93.07050	22.4
95.08611	56.4
97.10178	42.2
99.04487	27.4
105.07063	6.5
107.08613	18.1
107.87635	4.7
109.06552	11.2
109.10156	27.9
111.08099	5.9
111.11734	28.0
119.08557	6.8
121.10188	24.0
123.11725	17.1
125.05993	9.5
125.13276	10.3
127.03923	47.9
131.08577	10.6
135.11702	8.3
137.05992	77.1
137.13274	5.6
141.05476	15.3
143.83470	4.9
144.09267	6.2
145.10133	8.0
149.13216	11.1
151.07635	5.2
151.14862	5.7
155.07042	10.1
159.11714	10.8
167.07097	7.8
173.09676	30.4
176.06992	4.6
177.09114	4.4
177.12831	4.9
179.10637	4.6
183.06554	65.0
187.11192	7.5
191.10454	5.3
205.12192	7.4
209.20192	5.2
317.32059	8.1
335.33200	8.1
361.79373	4.7
383.33072	10.6
401.34225	76.9
402.34225	8.8
419.35187	22.3
461.36429	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	462.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01857	0.6
55.05507	0.4
57.03453	1.2
59.04992	0.4
61.02932	2.2
67.05459	0.2
69.03432	7.0
70.06587	0.2
70.27248	0.5
71.04983	0.7
73.02909	0.7
73.04764	0.6
81.03423	2.7
81.07059	0.5
83.04986	0.3
83.08611	0.3
84.08135	0.3
84.84432	0.2
85.02906	13.3
86.03253	0.3
87.04469	1.2
91.03957	1.0
91.05781	0.7
93.07032	0.8
95.08613	0.3
97.02898	5.4
98.22622	0.2
99.04446	0.8
100.11239	0.6
101.25704	0.2
105.07008	0.5
107.08588	0.6
109.02887	1.6
115.03908	0.4
115.05440	1.3
120.04434	0.2
121.06490	0.5
121.10145	0.5
127.03914	2.9
130.02913	0.2
133.02872	0.3
133.04871	0.2
133.10115	0.9
142.06529	1.1
145.04970	2.1
145.10118	0.3
153.01836	0.4
154.06506	0.3
163.03989	0.3
163.95471	0.2
167.05565	0.6
170.06018	28.8
171.06320	0.9
180.04430	0.9
182.06090	0.2
182.15469	0.3
198.05502	10.6
199.05869	0.6
200.37053	0.2
208.03949	0.9
210.14914	0.4
219.23038	0.2
225.04268	0.3
225.34131	0.2
226.05019	2.2
227.55475	0.2
236.03394	0.6
241.18211	0.2
247.16969	0.3
254.01855	0.4
254.04486	7.5
255.04909	0.4
256.05978	0.6
265.14282	0.3
272.05472	0.6
282.03964	100.0
283.04306	5.8
300.05023	44.7
301.05127	2.2
330.96222	0.2
337.01932	0.5
359.02823	1.0
429.08121	0.2
462.10370	0.9
462.19174	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	462.1758
Annotation	Cephalezomine J
Peak:m/z	Relative Intensity
51.02377	0.5
53.03952	1.2
55.01867	0.5
57.03430	0.8
61.02934	1.0
62.96039	0.2
63.02373	0.4
69.03436	3.3
69.94692	0.2
71.04991	0.2
73.02922	0.6
74.94462	0.2
77.03905	0.3
79.05495	0.4
81.03427	1.7
85.02438	0.3
85.02914	5.5
87.04464	0.7
89.03914	3.2
91.03966	0.2
91.05476	3.0
93.07047	5.2
95.04971	1.0
97.02888	2.1
97.53679	0.2
99.04444	0.4
103.05470	4.0
105.04504	0.6
107.04975	1.4
109.02885	0.7
117.03381	6.3
119.04884	0.3
121.06508	39.6
121.19254	0.2
122.06813	1.1
123.04405	0.5
126.74165	0.2
127.03906	1.2
135.04424	11.8
136.04700	0.3
138.08102	0.3
138.09154	4.0
140.82257	0.2
145.02850	10.8
145.04852	0.5
146.03253	0.4
147.39926	0.2
153.01945	0.2
159.04396	0.3
163.03905	100.0
164.04256	3.4
164.07141	0.2
180.06567	0.7
187.03882	0.6
189.23080	0.2
205.04961	0.2
242.05779	0.3
265.14459	0.3
267.24191	0.2
270.05173	1.9
287.05624	0.3
298.04739	0.6
300.12311	51.5
301.07104	0.8
301.12613	3.2
315.05063	0.6
316.05811	0.4
331.08109	7.0
331.12051	0.4
462.17606	8.7
463.18042	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	462.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50185	0.3
52.37517	0.3
53.03944	1.1
54.03339	0.5
77.03947	0.4
79.05485	0.5
85.02901	0.7
89.03918	2.8
91.05477	3.7
93.07053	6.1
95.04965	1.3
103.05476	4.0
105.04506	0.8
107.04959	1.4
117.03391	5.6
121.06509	43.7
122.06849	1.2
135.03381	0.6
135.04416	11.9
138.09138	3.4
145.02846	11.8
145.04642	0.4
146.03220	0.5
153.01746	0.4
163.03906	100.0
164.04254	2.7
178.15544	0.3
180.06517	0.9
180.68697	0.4
185.05975	0.4
186.06752	0.7
213.05396	0.4
214.06281	0.8
242.05788	1.0
270.05258	8.2
287.05542	1.2
297.03867	1.5
298.04724	3.0
299.05444	0.9
300.12311	60.0
301.12659	3.8
302.04187	0.9
315.04962	3.7
316.05814	2.8
331.08118	31.8
359.02887	0.4
376.22043	0.4
462.17465	3.9
463.12006	0.5
463.18350	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	462.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91573	0.6
53.03940	2.9
53.10519	0.7
57.03444	0.8
63.77466	0.6
69.03020	5.3
69.03430	6.5
71.05004	0.8
73.04751	3.2
77.03915	1.0
79.05498	3.9
81.03415	6.5
85.02892	1.0
86.06093	1.0
89.00782	0.7
89.78857	0.7
91.05811	6.1
93.25129	0.6
95.04966	1.0
97.02908	1.5
99.04448	1.4
103.05499	3.3
105.07037	100.0
106.07378	2.4
109.02879	5.0
121.06550	1.4
122.09676	44.0
123.10009	1.0
125.02428	0.8
127.03922	4.0
153.01817	1.4
161.02361	2.6
163.03932	2.6
167.05582	1.7
173.02446	0.9
179.03549	0.8
185.12740	0.8
189.01758	3.6
191.03406	2.4
193.01385	0.9
201.01787	0.8
207.02943	2.1
217.01347	5.2
219.02907	2.6
221.00873	1.1
225.04274	0.8
231.13553	0.8
235.02370	4.9
245.00844	5.0
247.02431	2.3
259.02307	0.8
263.01929	2.1
273.00333	4.4
275.01962	1.0
291.01511	1.1
300.99805	0.8
319.00851	4.9
337.01892	6.1
342.99762	1.0
359.02884	4.0
429.08774	1.4
463.04794	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	462.1757
Annotation	Cephalezomine J
Peak:m/z	Relative Intensity
53.03944	1.4
57.03440	1.1
61.02938	1.0
69.03419	4.6
69.14609	1.3
69.15019	4.2
73.04749	2.1
75.09071	1.0
81.03431	1.3
85.02920	6.8
87.04456	0.9
89.03908	4.6
91.05440	2.5
93.07061	5.6
95.04980	1.8
97.02898	2.6
98.23423	1.5
99.04472	0.7
99.79069	1.0
103.05473	4.3
103.55747	0.8
105.04515	1.0
105.07068	0.7
107.04977	1.4
109.02894	1.6
117.03381	4.8
121.06510	48.1
122.06858	1.7
135.04425	13.5
138.09148	4.1
145.02843	11.3
153.01871	1.6
163.03906	100.0
164.04251	3.4
167.05557	1.3
225.04352	1.2
228.45981	0.8
282.04059	1.0
300.12286	64.1
301.12683	4.8
337.02008	1.0
359.02875	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	462.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
51.02371	2.0
53.03718	0.4
53.03951	4.6
55.01871	0.8
63.02367	0.5
65.03934	1.2
69.70885	1.7
77.03933	3.7
78.04712	0.9
79.05486	0.8
81.03415	0.6
88.21450	0.3
89.03930	4.5
89.33879	0.4
91.05482	28.2
92.05818	0.5
93.07051	19.0
94.04187	1.1
94.58733	0.3
95.04974	6.0
97.39704	0.4
102.04693	0.7
103.05474	18.1
105.03408	5.2
105.04492	3.2
105.07047	0.5
106.04140	0.4
107.04958	2.0
109.44309	0.3
111.09563	0.3
112.01201	0.4
115.05440	1.3
116.45638	0.4
117.02594	0.8
117.03387	8.3
117.07034	0.6
118.04160	0.6
119.04948	13.0
120.05740	0.8
121.06512	78.5
122.03678	2.8
122.06818	1.8
131.04987	0.6
133.02856	100.0
133.06488	1.7
134.03082	2.5
134.06017	1.4
135.04431	5.0
136.07567	1.5
137.05980	16.4
143.04915	0.5
145.01715	0.9
145.02858	15.3
145.06494	1.1
147.04413	8.3
149.05983	22.6
150.06775	10.1
151.03944	0.6
151.07509	0.6
157.03979	1.5
158.03621	0.4
160.03999	0.4
161.04617	0.4
161.05978	8.5
162.03139	1.1
162.05409	0.5
163.03990	0.4
164.07027	0.9
165.05489	12.2
165.06828	0.5
165.09142	0.8
166.07756	0.4
167.03398	0.6
173.06024	2.2
175.03922	27.5
175.07619	1.1
176.04262	1.0
176.06219	0.6
177.05481	38.9
177.06898	2.0
178.05815	1.3
178.07411	0.4
186.03108	0.6
190.07732	0.4
191.08598	0.9
192.06551	3.5
193.06583	0.6
194.07320	0.5
201.05467	22.2
202.05777	1.1
204.05751	0.8
205.06500	5.2
207.08101	0.6
209.09648	0.7
219.08134	1.1
221.06007	2.1
222.06783	1.5
223.07408	0.7
223.14168	0.4
232.05263	0.5
233.05978	6.4
234.06622	0.9
235.07515	1.1
236.08333	0.5
237.09122	1.4
247.07565	2.0
249.05472	4.2
250.06232	2.7
251.06923	0.6
253.08595	0.4
258.05280	2.9
261.05460	3.1
263.06952	0.7
264.07831	1.7
265.08621	3.7
266.09335	0.6
269.11618	1.0
275.07037	1.3
277.04922	1.9
278.05759	0.9
279.10229	0.6
282.08862	0.4
286.04776	1.4
289.08432	0.5
292.07321	4.2
293.08087	5.2
295.09726	1.7
298.14392	0.8
299.12845	0.4
301.04333	0.3
301.07062	25.4
307.09720	3.6
312.12326	3.9
325.10703	47.4
326.11093	2.8
338.13821	0.4
462.19116	32.1
463.12317	5.7
463.19391	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	462.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.8
51.02375	1.4
53.03951	4.7
55.01874	0.7
65.03941	1.1
69.45928	1.5
77.03922	3.2
79.05481	0.9
81.03408	0.8
89.03925	4.6
91.05480	23.4
92.05806	0.8
93.07049	18.9
94.04188	0.9
95.04980	6.8
103.05473	16.7
105.03391	6.0
105.04494	3.0
107.04970	1.8
109.06542	0.5
115.05457	0.9
117.03389	8.5
117.07020	0.5
118.04198	0.4
119.04951	13.2
121.06510	70.9
122.03653	2.6
122.06855	2.1
131.04955	0.5
133.02856	100.0
133.06470	1.7
134.03265	1.6
134.05994	1.4
135.04413	3.8
136.07581	1.6
137.05983	15.7
143.04950	0.5
145.02850	15.3
145.06496	1.0
146.03387	0.4
147.04422	7.4
149.05983	21.9
150.06781	10.2
151.03947	0.7
151.07542	0.6
157.03979	1.6
158.03632	1.2
161.05984	7.8
162.03123	0.6
162.05487	0.7
164.07072	1.3
165.05489	11.8
165.06862	0.4
166.07742	0.7
173.06021	2.4
175.03912	28.0
175.07317	0.8
176.04367	0.8
176.06102	0.8
177.05479	38.7
177.06866	1.7
178.05814	1.0
181.10196	0.4
186.03197	1.1
189.07039	0.4
191.08617	0.8
192.06564	3.6
193.68623	0.3
194.07271	0.7
201.05469	20.6
202.05852	0.9
204.05731	0.5
205.06503	4.4
209.09625	0.7
219.08037	0.7
221.06053	2.0
222.06775	1.4
232.05302	0.5
233.05975	6.1
234.06424	0.7
236.08180	0.5
237.09119	1.0
247.07544	0.8
249.05533	3.4
250.06154	2.1
257.85724	0.4
260.04605	0.5
261.05481	3.5
264.07870	1.3
265.08578	3.4
269.11697	0.9
275.07050	1.4
277.05011	1.8
278.05875	1.0
281.08072	0.4
286.04773	0.4
292.07239	3.3
293.08054	5.5
301.07050	4.2
307.09546	2.8
310.08200	0.7
312.12302	5.9
325.10706	48.1
326.10941	2.9
338.13943	0.5
342.13300	0.5
355.41464	0.4
462.19128	33.5
463.19421	2.8
486.99268	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	462.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	0.7
53.03886	2.8
55.01812	2.0
55.05446	1.9
57.03391	0.7
58.64297	0.4
65.03896	0.6
67.05436	3.2
68.05795	0.5
69.07006	1.2
71.04946	0.7
73.04709	0.7
77.03915	0.6
79.05499	3.7
80.05778	1.0
81.03339	3.1
81.06985	3.3
82.03685	0.8
82.07330	0.8
83.04907	0.6
83.08574	0.9
90.67509	0.4
91.05469	16.0
91.06260	0.6
92.05724	1.3
93.07054	14.6
94.04079	0.5
94.07363	0.8
94.81079	0.4
95.04967	5.6
95.08533	1.6
96.05254	0.4
97.06483	0.6
97.10120	0.9
102.04628	0.4
103.05474	13.0
105.04538	2.1
105.07042	2.7
106.07318	0.5
107.04888	1.7
107.08511	1.4
108.05206	0.6
108.08857	0.4
109.06452	0.5
109.10093	0.8
115.05455	5.3
117.06942	1.1
119.04938	4.0
119.08578	2.0
119.09220	0.4
120.08826	0.4
121.06514	46.4
121.10078	0.9
122.03567	0.9
122.06767	1.2
122.10494	0.4
123.04379	1.3
125.09578	0.6
129.06960	1.0
130.04115	0.6
131.08475	1.8
132.08815	0.5
133.02756	0.4
133.06436	0.9
133.10052	1.2
134.03539	1.2
135.04425	1.8
135.07950	0.5
135.11575	0.6
137.05023	0.7
137.05980	10.5
138.09071	0.7
141.06981	0.4
143.03931	0.4
143.04935	6.1
143.08493	0.7
145.06503	3.0
145.10056	0.9
147.04445	2.1
147.07985	0.8
147.11612	0.5
149.05983	3.3
149.13168	0.5
150.06781	2.5
151.03807	1.3
151.60356	0.4
155.04797	0.5
155.08412	0.7
157.03983	0.4
157.10112	0.6
158.03629	3.3
160.05135	1.5
161.05997	0.6
162.03099	0.5
165.06909	1.3
166.07788	0.9
167.05486	0.5
173.05991	4.5
174.06706	0.6
175.03957	3.3
175.07584	3.3
176.06203	1.5
177.05602	0.7
177.06998	4.7
178.07635	1.5
179.08475	0.5
181.06409	0.6
186.03154	9.2
187.03606	0.4
187.07573	0.5
189.05426	0.8
189.07011	1.1
190.07794	0.5
191.08461	1.0
193.06494	0.7
193.12254	0.6
194.07294	5.7
194.12523	0.8
195.07909	0.7
201.05458	20.0
202.05865	0.7
202.07716	0.5
203.06972	1.8
203.08658	0.7
204.05635	1.6
205.06503	17.6
206.07129	2.0
207.08083	0.9
209.09718	0.5
211.03957	0.4
211.07523	1.3
217.06424	1.0
219.04515	0.6
219.08023	2.3
221.06017	4.9
222.06755	11.0
223.07413	1.6
226.06290	1.1
227.07011	1.6
232.05292	0.9
233.05991	19.0
234.06784	5.2
235.07465	1.4
236.04620	0.8
236.08282	1.6
237.09113	14.5
238.06151	0.7
238.09471	0.5
239.07040	3.0
240.07552	0.5
247.07562	4.0
248.08324	1.6
249.05516	6.5
249.09050	1.0
250.06258	16.1
251.06987	3.7
254.05704	0.9
254.09329	0.8
255.06390	0.4
255.10007	0.5
261.05493	3.5
262.06085	0.6
263.07037	1.1
264.07822	7.5
265.08600	28.0
266.09186	3.7
267.06528	3.3
275.06952	1.4
277.04980	3.9
277.07751	0.7
278.05756	8.5
279.06482	1.8
279.10156	3.9
281.08136	1.3
282.08734	3.4
283.09576	0.8
292.07312	18.6
293.08081	31.4
294.08685	1.8
295.06021	2.9
297.07886	0.7
297.11224	5.6
299.12775	0.7
307.09662	47.3
308.09970	2.4
309.07422	0.4
310.08328	4.1
325.10715	100.0
326.11008	4.4
352.22867	0.5
359.02777	1.1
369.23877	0.7
370.24545	1.3
388.25702	0.7
444.28098	1.2
461.29034	1.2
462.19202	14.8
462.28973	4.6
463.18765	0.6
463.23325	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	462.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
51.02383	0.3
53.03711	0.2
53.03948	2.6
55.01873	1.5
55.05511	0.2
65.03937	0.8
67.05501	0.4
71.04992	0.9
77.03923	0.8
79.05491	0.6
81.03404	0.5
81.07037	0.4
85.02888	0.2
89.03928	0.2
91.05479	14.8
92.05781	0.3
93.07047	14.4
94.04200	0.3
94.07381	0.4
95.04974	4.4
96.05303	0.2
102.04694	0.5
103.05473	13.0
104.05781	0.2
105.03402	0.3
105.04516	2.1
105.07028	0.6
107.04963	0.9
109.06529	0.5
111.04459	0.2
115.05459	5.9
117.03360	0.4
117.07039	0.9
119.04946	4.0
119.08576	0.1
120.05739	0.4
121.06508	53.5
122.03640	0.9
122.06846	1.5
123.04420	0.9
125.05981	0.2
129.07016	0.2
130.04149	0.6
131.04939	0.5
131.08525	0.1
132.05731	0.3
133.02840	0.6
133.06503	0.7
134.03607	0.9
135.04420	1.4
137.02368	0.7
137.05978	12.8
138.06314	0.4
138.09142	0.5
141.03319	0.5
143.04927	7.0
144.05600	0.3
145.02840	0.5
145.06490	2.3
146.03755	0.1
147.04410	2.3
147.08034	0.5
148.04950	0.2
149.04884	0.3
149.05991	3.5
150.06764	2.5
151.03938	1.6
151.07539	0.2
152.06146	0.2
155.04901	0.3
155.06053	0.2
157.02840	0.2
157.04007	0.4
158.03633	2.3
159.04428	0.3
160.05176	1.5
161.05951	0.8
162.03149	0.3
163.05357	0.2
164.07069	1.2
165.06993	1.4
166.07800	0.9
167.08426	0.2
168.05672	0.2
169.06508	0.3
171.04370	0.3
172.05197	0.2
173.05984	5.4
174.06776	0.7
175.03941	3.1
175.07553	4.3
176.06195	2.0
176.07695	0.2
177.05440	0.8
177.06963	5.4
178.07796	1.1
179.08563	0.7
181.06477	0.5
181.09988	0.2
183.04485	0.2
183.08070	0.3
184.05270	0.2
185.02357	0.2
186.03127	9.9
187.03621	0.3
187.07533	0.3
188.04659	0.5
189.05415	0.6
189.06998	1.0
190.07771	0.5
191.04909	0.2
191.07001	0.3
191.08569	0.8
193.06532	1.0
193.10121	0.2
194.07277	6.6
195.07988	0.8
196.05219	0.3
197.05952	0.4
200.04709	0.5
201.05458	20.5
202.05789	0.7
202.07719	0.4
203.07021	1.8
203.08623	0.5
204.05693	1.6
205.06491	19.0
206.07111	1.8
207.06219	0.7
207.08195	1.2
208.05251	0.4
208.08772	0.3
209.05861	0.3
209.09628	0.5
210.06660	0.2
211.03975	0.5
211.07552	1.0
212.04707	0.2
215.03362	0.4
215.06964	0.3
217.06467	0.9
217.39465	0.1
218.07356	0.7
219.04530	0.4
219.08055	2.9
220.08652	0.4
221.05986	5.8
221.09413	1.0
222.06758	12.1
223.07460	1.9
224.04709	0.5
224.08215	0.3
225.05583	0.3
225.09123	0.4
226.06206	0.7
226.09827	0.2
227.07062	2.2
228.07314	0.2
231.08109	0.3
232.05183	0.8
233.05978	19.5
234.06718	5.7
235.03934	0.2
235.07498	1.5
236.04778	1.0
236.08359	1.2
237.09100	13.8
238.06261	0.4
238.09482	0.6
239.07027	3.2
239.10709	0.5
240.07767	0.6
245.05881	0.2
246.06801	0.3
247.07542	4.6
248.08298	1.3
249.05482	6.7
249.09084	0.8
250.06248	17.1
251.06961	4.1
251.10786	0.3
252.03923	0.3
252.07739	0.4
253.04973	0.5
253.08575	0.9
254.05737	1.0
254.09361	0.9
255.06433	0.3
255.10065	0.2
260.04675	0.6
261.05450	3.8
262.06161	0.9
263.06998	1.2
264.07828	7.6
265.08594	28.8
266.06107	0.2
266.09186	3.4
267.06522	3.4
267.10025	0.7
268.07089	0.5
269.08145	0.4
269.11719	0.5
270.08960	0.3
275.07065	1.4
276.07840	0.3
277.04974	3.5
277.08517	0.7
278.05731	9.2
279.06442	1.7
279.10168	3.5
280.07239	0.2
280.10608	0.3
281.08075	1.4
281.11334	0.2
282.05811	0.2
282.08878	3.5
283.09558	1.2
284.10339	0.6
287.56659	0.2
291.06454	0.3
292.07297	20.3
293.08069	32.9
294.05252	0.3
294.08542	2.2
295.06030	3.0
295.09183	0.2
296.06573	0.3
297.07953	0.3
297.11209	6.4
298.11557	0.4
299.12756	1.0
307.09641	49.2
308.09973	2.9
309.07581	0.4
310.08337	4.4
311.08636	0.3
321.11130	0.2
325.10690	100.0
326.11032	6.3
327.12097	0.3
338.13727	0.2
342.13077	0.2
359.02805	0.3
368.14676	0.2
397.67062	0.1
440.08823	0.2
462.19131	16.3
462.29620	0.4
463.19464	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.34085	0.3
67.05520	1.5
69.03430	2.5
71.05011	0.3
71.08630	0.5
73.04749	1.2
79.05488	0.3
81.03432	2.3
83.04989	0.5
84.08156	0.5
85.02886	0.8
85.06544	0.4
87.04512	0.3
88.11273	3.4
90.08044	0.2
91.05460	2.1
91.05849	1.5
93.07044	5.9
95.04974	2.0
97.02865	0.4
103.05479	3.7
105.04539	0.6
109.02870	2.1
113.06025	1.3
121.06509	100.0
122.06840	3.3
127.03899	1.4
131.07040	5.2
138.09143	29.1
139.09474	1.0
161.02332	0.6
163.03903	0.6
167.05583	1.6
172.91090	0.3
179.03398	0.4
189.01842	0.7
191.03415	0.9
207.02914	0.8
217.01335	1.2
219.02844	0.7
221.00810	0.4
225.04306	0.4
235.02374	1.8
238.13910	0.3
245.00868	1.2
247.02415	0.9
263.01877	0.8
273.00339	0.8
275.01959	0.4
300.99628	0.5
319.00885	1.2
337.01917	2.4
342.99680	0.3
359.02896	2.2
429.08960	1.1
463.05029	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	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52454	1.3
53.00301	2.5
53.03954	9.3
53.14635	1.6
57.01510	1.3
57.03426	2.1
68.99801	1.5
69.03434	18.0
69.83398	4.2
69.83795	3.1
70.06602	1.9
71.04996	2.7
73.04763	8.9
79.05487	4.0
81.03420	26.7
83.04984	2.2
85.02919	7.7
89.03894	2.5
91.05872	10.2
93.07059	3.1
95.04934	2.1
97.02899	11.1
99.04460	5.4
103.05460	2.0
105.03394	2.0
105.07011	3.6
107.04932	4.8
109.02888	35.7
117.03404	2.2
119.08642	1.8
121.06516	28.9
123.04404	2.6
123.08091	2.1
125.02383	1.8
127.03918	33.7
130.97256	1.5
131.08580	2.1
133.02824	7.5
135.04414	4.9
135.08005	2.0
137.02405	2.2
137.06030	1.5
138.05478	3.1
138.09108	7.3
145.02831	3.2
147.04417	4.4
147.08034	1.4
151.03899	3.1
153.01831	18.1
154.02213	5.7
157.02885	1.7
157.07626	1.8
159.14886	1.5
161.02316	10.1
161.09602	2.5
162.03107	2.0
163.03909	28.6
164.07129	3.9
165.01826	3.8
167.05502	8.4
173.02351	4.6
175.03920	2.3
175.07436	1.9
177.01840	1.8
179.03358	8.1
181.01372	1.6
189.01794	19.7
189.12732	1.6
190.02563	1.7
191.03391	25.1
193.01305	4.3
193.04842	2.0
201.01816	5.4
203.03447	4.3
207.02878	28.0
211.11166	1.4
217.01344	31.6
218.02121	5.3
219.02873	29.7
221.00829	6.0
221.04407	2.8
225.04292	2.7
229.01335	2.3
231.02907	4.7
232.09222	1.5
235.02364	60.8
239.01814	2.9
241.05069	1.8
241.64383	1.5
245.00818	24.7
247.02373	16.3
247.13405	5.9
249.04019	3.4
257.00677	2.1
263.01880	16.9
265.14346	22.8
273.00290	23.4
275.01892	12.0
287.05481	1.9
291.01367	7.2
300.12360	6.9
300.18597	1.4
300.99759	6.5
302.00604	3.2
303.01151	2.1
319.00848	29.6
337.01898	100.0
342.99817	2.6
359.02802	10.5
360.02725	2.0
423.71613	1.5
429.08914	4.0
445.03946	4.8
462.16516	5.2
463.05078	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0871
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.03933	0.1
55.01873	0.3
57.03210	0.1
57.03447	1.1
65.03940	0.2
67.01852	0.3
68.99789	0.9
69.03421	0.4
69.81186	0.4
71.01360	2.0
73.02924	3.1
75.04462	0.3
79.05495	0.3
83.01365	0.2
85.02910	8.3
95.01339	1.3
97.02912	0.5
99.00832	0.6
101.02383	0.4
102.21842	0.1
103.03925	0.7
105.03382	0.5
107.04956	0.5
108.57455	0.1
109.02871	0.3
111.00809	0.9
111.04454	0.1
113.01572	0.2
113.02370	4.0
121.02873	3.8
121.03835	0.2
121.06554	0.1
122.03234	0.1
129.06963	0.1
131.03403	1.6
133.02844	0.6
134.57672	0.1
135.04408	0.2
137.02325	1.1
141.00845	0.2
141.01833	1.5
141.06979	0.1
145.06511	0.3
147.04416	0.9
153.01833	5.3
157.06502	0.7
159.02901	1.8
161.05959	0.3
165.00499	0.2
165.01848	2.3
168.74698	0.1
169.06516	0.1
171.04446	0.3
183.02869	1.0
185.06009	0.4
189.05521	0.3
197.06004	0.2
199.03812	0.1
203.03410	0.2
203.07059	0.2
213.03563	0.2
213.05470	1.7
217.05003	0.1
229.04980	0.2
231.06514	0.9
241.04959	1.2
243.06436	0.2
257.04507	0.1
258.05280	1.4
259.05954	0.5
269.04373	0.2
270.62192	0.1
286.04633	0.2
287.05496	100.0
288.05826	6.6
299.05450	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	463.1235
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
58.26696	0.1
62.23407	0.1
63.78146	0.1
77.00682	0.1
86.23672	0.1
107.17365	0.1
120.20441	0.1
121.02959	0.1
137.02322	0.7
151.03851	0.1
153.01791	0.4
157.06485	0.2
158.07266	0.7
167.03447	0.2
168.05649	0.5
171.04366	0.1
177.05577	0.2
178.00557	0.1
185.06062	0.6
186.06769	2.7
196.05168	0.9
197.05923	0.5
200.04646	0.2
203.03421	0.9
213.05452	1.8
214.06252	2.3
224.04688	1.0
225.05396	0.5
227.03395	0.1
241.04951	0.9
242.05746	3.4
243.06300	0.2
252.04112	0.6
253.04872	0.9
258.05188	0.2
269.04382	0.6
270.05228	25.5
271.05585	1.4
273.03934	0.5
280.03690	0.3
281.04645	0.5
285.03925	0.9
286.04694	0.8
287.05472	3.1
288.06030	0.3
297.03922	4.3
298.04715	10.2
299.05411	3.2
300.05878	0.2
301.03482	0.3
302.04208	1.9
303.04318	0.2
315.04990	9.2
316.05753	8.7
317.06113	0.5
331.08109	100.0
332.08456	5.3
359.57184	0.1
387.40042	0.1
463.12396	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	463.1237
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
54.01277	0.2
57.03439	0.2
58.02537	0.2
58.75594	0.2
66.03211	0.2
69.03422	0.3
69.11541	0.7
69.11963	0.9
69.51254	0.2
70.06580	0.4
73.02905	0.3
81.03383	0.2
85.02924	0.2
98.22598	0.4
105.07028	0.3
107.04954	1.0
108.05318	0.3
116.05960	0.2
120.08084	0.3
123.04449	0.5
131.04993	0.2
137.02350	0.9
137.05949	0.2
139.03877	0.4
140.06145	0.2
151.03955	0.2
152.66089	0.2
153.01862	1.2
158.07285	0.8
163.03882	0.3
167.03415	0.6
168.05708	0.6
169.06488	0.3
171.04350	0.3
175.03967	0.3
185.05992	0.5
186.06750	3.1
196.05273	1.4
197.05923	0.7
203.03403	1.2
213.05486	1.7
214.06261	2.4
224.04706	1.1
225.05371	0.8
229.54422	0.2
237.78493	0.2
241.04982	1.0
242.05759	4.3
252.04207	0.7
253.04869	1.1
258.05106	0.3
269.04489	0.8
270.05240	30.4
271.05597	1.6
273.03922	0.4
281.04401	1.1
285.03894	0.8
286.04727	1.1
287.05484	5.0
288.06076	0.4
297.03915	4.9
298.04727	12.7
299.05414	3.8
301.03421	0.7
301.06787	0.2
302.04218	2.2
315.05005	12.0
316.05756	10.9
317.06128	0.6
331.08118	100.0
332.08493	6.1
360.02802	0.3
445.13913	0.2
463.12311	31.0
463.21426	5.8
464.13028	1.9
464.19522	0.2
464.21848	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	463.1235
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03897	0.2
61.15584	0.1
67.01846	0.2
69.03389	0.3
81.03384	0.2
85.02859	0.3
89.03867	0.1
91.05448	0.5
92.05753	0.2
93.06966	0.4
95.04941	0.2
98.23421	0.3
100.61588	0.2
103.05435	0.4
119.04878	0.3
121.06510	1.5
122.06817	0.7
124.01517	0.4
133.02844	1.6
134.03111	0.6
135.04445	0.8
136.05208	0.2
137.02277	0.3
137.05927	0.5
138.06267	0.2
141.05438	0.2
145.02737	0.1
145.09882	0.2
147.04301	0.2
149.05885	0.5
150.06358	0.2
161.02312	0.5
165.05380	0.2
167.03400	3.0
174.06847	0.2
175.03888	0.5
176.04373	0.2
177.05496	0.7
178.05768	0.2
183.93588	0.1
184.05132	0.3
185.04478	0.3
201.05418	0.3
202.05887	0.3
203.03386	0.5
212.04793	0.3
213.05447	0.5
216.93062	0.1
228.72548	0.2
229.04865	0.3
230.05501	0.1
233.05974	0.1
234.06300	0.2
241.04979	0.4
258.05234	10.3
259.05585	0.5
283.05920	0.2
286.04703	5.5
287.05054	0.3
296.10013	0.3
300.06265	0.3
301.07053	100.0
302.07388	4.9
308.09763	0.2
325.10782	0.4
326.11133	0.7
352.63260	0.1
397.86609	0.2
463.12381	20.2
464.12817	1.5
465.18521	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	463.1239
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
51.42864	0.1
66.01061	0.2
68.99789	0.2
70.06833	0.2
70.07210	0.2
70.52010	0.1
71.01352	0.1
78.01094	0.2
87.80871	0.1
89.73409	0.1
94.04165	0.5
96.72426	0.1
100.11224	0.1
121.02856	1.8
121.54506	0.1
123.04449	0.3
136.01552	0.2
137.02332	0.3
139.03851	0.1
146.06006	0.2
153.01805	0.4
153.49451	0.1
161.05962	0.2
177.73886	0.1
184.05196	0.7
185.86861	0.1
188.04729	0.8
193.01297	0.3
202.06332	0.1
210.01595	0.3
212.04643	0.9
213.05452	1.2
215.03487	0.1
229.04973	1.1
230.05836	0.2
240.04227	0.4
241.04927	0.6
257.04514	0.8
258.05255	6.2
259.05573	0.4
269.04529	0.4
269.29712	0.1
270.05124	0.2
272.03061	0.2
285.03946	15.0
286.04715	57.7
287.05118	2.8
301.07065	100.0
302.04245	0.6
302.07379	5.7
317.06534	1.3
331.07825	0.2
337.08746	0.1
463.11041	0.1
463.15781	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	463.1238
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
57.03410	1.4
63.35083	0.4
67.05466	0.6
69.03413	0.4
71.30705	0.6
73.02934	2.0
81.07005	0.9
81.12133	0.4
85.02869	0.8
91.05430	1.1
93.07027	0.5
95.08580	0.4
97.02872	0.5
100.11242	0.5
109.02769	0.4
115.03934	0.4
121.06522	1.9
122.06818	0.7
137.02303	0.4
137.06009	1.9
138.06320	0.4
147.04457	0.4
151.03877	0.8
153.01785	1.7
153.93474	0.3
161.05902	0.3
165.09137	0.4
167.07048	0.4
174.23888	0.3
175.07504	0.4
189.05452	0.5
217.04994	3.7
223.14769	0.3
239.01091	0.4
243.06537	0.6
245.02020	0.6
245.04469	10.4
257.04712	0.4
273.03952	15.1
273.06931	0.8
274.04385	1.1
287.05582	0.8
288.06305	1.1
298.04642	0.5
299.05423	1.1
301.03433	44.0
302.04126	5.9
315.04996	4.0
316.05777	57.6
317.02670	0.5
317.06439	9.8
325.10764	0.4
325.29160	0.4
326.11026	1.1
331.08124	100.0
332.08475	4.9
373.09268	0.4
445.24326	0.4
463.12393	32.9
463.18658	1.4
464.12631	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	463.1445
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
53.03943	2.1
67.89305	1.1
69.03425	5.3
69.14104	9.7
69.14503	2.2
71.04978	2.4
79.01850	2.8
81.03431	10.2
85.02885	4.5
95.90170	1.2
97.02888	7.6
99.04459	2.0
101.06020	1.2
107.01333	2.0
109.02879	13.7
113.05993	3.7
118.52291	1.2
125.02342	3.3
127.03915	13.8
128.04247	1.6
143.03416	4.3
153.01837	100.0
153.02878	3.6
154.02153	2.2
157.06009	1.2
159.09198	2.3
161.02374	2.4
163.03909	3.0
171.02882	11.1
187.05888	1.6
189.01839	4.5
191.03337	3.6
201.01825	2.2
207.02940	3.6
217.01283	9.4
218.01947	1.8
219.02826	5.8
235.02376	8.8
245.00766	8.1
247.02316	3.3
263.01883	2.5
273.00281	5.0
275.01794	3.2
291.01337	1.8
297.05997	4.4
300.99731	1.6
315.07132	13.1
319.00760	3.1
337.01904	23.7
429.63071	1.3
445.03708	2.0
463.05072	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	463.16
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
51.02366	0.7
52.43968	0.5
53.03901	4.3
55.01827	1.7
55.05458	2.6
57.03378	1.6
57.03889	0.5
61.54859	0.5
63.02338	0.5
65.03887	2.2
67.05508	7.0
68.99768	1.1
69.03430	7.7
69.07022	1.0
69.91689	1.2
69.92081	1.1
70.06555	0.6
71.01330	1.2
71.04951	0.8
73.02859	2.1
75.04443	0.6
77.03877	0.8
79.01790	1.5
79.05495	6.9
81.03423	16.6
81.03864	0.7
81.07052	5.4
83.04932	1.5
85.02913	6.2
86.09671	1.4
91.05479	13.3
93.07047	32.3
95.04977	5.2
95.08611	10.3
97.02892	6.8
97.10128	0.7
99.04391	2.1
103.05485	3.5
105.03349	1.1
105.04448	1.6
105.07038	6.1
107.04921	0.9
107.08600	3.5
109.02879	7.2
109.06508	2.7
109.10155	8.4
111.04386	2.4
111.08045	0.8
113.02320	0.9
115.05389	2.2
117.06956	2.1
119.04889	1.7
119.08584	22.7
120.08084	1.1
121.02810	1.9
121.06512	36.2
121.10146	22.5
122.06783	1.0
123.04444	3.3
123.08010	1.3
124.63880	0.5
125.02268	1.9
127.03111	0.5
127.03915	7.0
129.06972	1.2
131.04929	6.0
131.08519	1.2
133.02794	1.6
133.06427	2.3
135.04330	1.4
135.08040	2.9
135.11641	0.7
137.02339	6.9
137.05928	1.0
137.09575	1.0
139.03902	18.3
143.03346	2.3
143.04901	0.8
143.08496	1.5
145.06497	3.2
146.05983	1.1
147.04419	4.0
147.08034	2.9
149.05884	1.8
149.08707	0.5
149.09624	5.2
151.03915	6.6
153.01831	34.3
153.02942	1.8
153.05408	1.5
153.06831	0.6
155.08479	0.6
157.06438	1.8
159.03180	0.7
159.04420	12.0
159.07919	0.7
160.04750	0.7
161.05984	3.3
163.03900	4.1
163.06303	0.8
163.07550	14.0
164.07860	0.9
165.01852	11.0
165.05409	3.4
165.06937	1.5
165.09081	0.6
166.07721	2.4
167.03435	7.8
167.08463	0.5
167.10628	0.7
169.06380	1.0
171.02934	0.6
171.07973	1.1
173.06017	3.3
175.03889	1.0
175.07483	1.5
176.04631	0.6
177.01781	1.8
177.05486	9.4
178.05852	0.6
179.03407	13.6
179.07016	7.4
180.04033	1.1
181.01279	1.5
181.05013	4.3
181.06435	1.2
181.10091	2.7
183.02899	24.2
183.08044	1.1
184.03152	0.6
184.05180	0.6
184.08755	0.6
185.05911	2.3
185.09543	1.8
187.03873	0.8
189.05495	2.9
191.03343	2.6
191.06979	3.3
191.08563	1.7
192.07590	0.7
193.04976	4.3
194.07175	1.8
195.02892	5.1
195.07964	1.3
197.04420	2.2
197.05943	1.6
197.09564	1.1
198.06715	1.0
199.07501	2.3
199.11142	2.6
201.05435	1.8
203.03322	0.8
203.07030	3.4
205.04967	64.3
206.05292	3.3
207.02940	2.7
207.06465	2.2
209.04361	2.0
209.09621	8.9
211.07457	1.8
212.08270	1.5
213.05376	2.1
213.09079	1.3
215.06841	1.3
217.04944	1.6
217.08516	1.9
217.12234	0.8
218.05728	1.0
219.06473	13.7
219.08174	0.9
220.06978	0.7
221.04460	11.3
222.06659	0.9
223.05891	3.0
225.09076	0.6
227.07114	5.1
227.10611	4.6
229.05000	1.2
229.08508	1.3
231.06555	5.7
231.10103	2.1
233.04474	1.1
235.05951	0.7
237.04024	0.9
237.09113	7.8
239.06831	0.6
240.07829	3.1
241.08472	1.2
243.06493	3.6
244.07204	2.4
245.04330	1.1
245.08096	4.1
245.11739	5.0
246.08583	0.8
247.05739	0.6
247.13272	2.1
255.10170	13.3
257.07962	0.7
258.05206	1.3
258.08847	2.1
259.06009	0.7
259.09561	1.5
261.03827	0.7
263.09067	0.8
265.08527	3.3
268.07391	0.9
273.11215	53.1
274.11481	3.3
275.12854	0.9
283.09647	17.7
285.03900	1.6
286.04758	5.8
286.07919	0.8
287.05499	28.0
288.05765	1.9
291.12280	9.1
301.07156	10.8
301.10669	100.0
302.07785	0.9
302.11014	6.6
304.73987	0.5
305.28030	0.6
319.11743	6.9
320.12140	1.0
361.12714	0.7
365.08820	0.8
413.30768	0.6
422.10822	0.6
427.13919	1.1
445.14996	6.8
446.15570	1.1
463.15979	31.0
464.16443	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	463.1601
Annotation	6-O-Methylscorzocreticoside I
Peak:m/z	Relative Intensity
51.02377	0.6
53.03958	2.4
55.01871	1.0
55.05495	1.6
57.03425	1.0
65.03934	0.8
67.05492	1.0
68.53513	0.4
68.99787	0.6
69.03435	5.6
71.05004	0.5
71.31906	0.6
73.02898	0.6
75.04476	0.4
77.03933	0.5
77.55083	0.5
79.01860	7.0
79.05496	6.9
81.02981	0.7
81.03420	8.5
81.07050	1.8
81.57328	0.4
83.01324	0.5
83.04967	1.2
85.02909	5.1
91.05475	10.4
93.07044	25.1
94.07406	1.0
95.04993	2.3
95.08607	1.1
97.02898	6.5
99.04446	1.3
100.11291	0.5
103.05455	1.2
105.04478	0.6
105.07043	5.7
107.01324	1.0
107.04979	0.9
107.08590	3.0
109.02898	4.8
109.06493	0.8
111.04398	0.9
115.05457	1.6
116.06255	0.7
117.07014	5.0
119.04971	2.1
119.08585	54.7
120.08915	1.8
121.06498	3.2
121.10146	22.4
122.10458	0.6
123.08097	1.0
125.02351	3.2
127.03930	4.6
129.07033	1.4
131.04933	0.7
131.08582	2.8
133.06487	1.2
135.04404	0.8
139.03896	1.8
143.03404	6.7
145.05124	0.8
145.06483	10.8
146.06825	0.7
147.04453	0.8
147.08049	5.3
149.09618	12.1
153.01834	100.0
153.02910	6.0
154.02153	2.8
155.03346	1.1
155.06111	0.6
157.06473	0.5
162.95178	0.4
163.03870	2.4
163.07579	0.7
165.05484	0.5
165.09151	1.6
166.07755	0.5
167.03415	0.6
167.10722	0.6
171.07985	0.5
173.05966	5.8
175.07552	0.7
177.05479	1.6
179.03372	1.9
181.04974	1.3
181.06468	0.5
181.10146	0.9
182.15434	0.7
185.09656	0.5
185.45413	0.5
191.03351	0.9
191.07021	1.5
193.04959	1.6
197.05988	0.8
199.07555	1.0
199.11256	1.2
205.04956	4.0
206.05495	0.8
209.04443	0.8
209.09605	2.5
212.08287	0.6
213.09129	0.7
217.08669	1.2
219.06528	83.7
220.06886	3.8
227.07098	1.7
227.10629	3.2
229.04987	0.5
231.06593	0.5
231.10091	0.8
235.02570	0.6
237.09171	2.7
240.07808	1.4
241.08452	0.7
243.06476	2.5
244.07205	0.9
245.00891	0.5
245.08054	2.7
245.11775	2.4
255.10168	6.0
257.08072	1.2
258.08813	0.5
259.05951	0.6
259.09714	0.8
265.08569	0.6
273.07935	1.0
273.11209	19.2
273.14197	1.0
274.11612	1.0
283.09641	4.2
291.12326	2.5
293.13983	0.9
301.07251	1.1
301.10703	22.3
302.11102	1.2
309.13248	0.5
315.07224	0.7
319.11832	1.6
337.02057	0.7
374.29285	0.4
381.12048	1.0
427.13812	1.5
435.16574	0.6
445.14853	1.5
463.15973	20.3
464.16620	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	463.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64827	0.4
51.02383	0.5
53.00293	0.4
53.03942	3.1
55.01862	0.9
57.03432	0.4
60.04516	0.4
67.01852	0.8
68.99786	0.7
69.03426	5.6
70.06610	0.5
70.85950	0.7
71.01331	0.4
71.04973	1.6
79.05496	3.9
81.03416	7.4
83.01340	0.9
85.02913	1.1
86.09682	0.6
91.05424	0.8
91.05887	0.5
95.04949	0.6
97.02899	3.0
99.04470	2.2
103.05492	2.7
105.03399	0.9
105.07030	12.4
107.04960	0.9
109.02880	12.6
110.03230	0.5
113.02361	0.4
113.26626	0.4
117.03394	1.0
119.06715	0.4
120.05695	2.1
125.02364	1.7
126.03124	0.4
127.03919	15.0
131.04880	0.5
132.04457	2.3
132.08104	0.8
133.02864	2.7
135.04427	1.3
135.08049	100.0
136.08389	2.9
137.02322	0.8
143.03363	0.5
144.08147	0.8
145.02818	0.9
147.04416	1.2
149.02318	0.5
150.05545	0.5
151.03845	0.6
152.10707	16.6
153.01839	8.3
153.02905	0.4
157.06245	0.4
159.09213	1.4
161.02342	3.6
162.03056	0.4
163.03900	5.6
165.01845	1.4
171.02869	0.8
173.02359	1.7
174.08766	0.4
175.03835	0.9
179.03413	2.1
184.13957	0.4
189.01819	6.6
190.02518	1.6
191.03380	6.7
193.01338	1.1
195.02850	0.7
201.01872	2.5
203.03366	1.5
207.02921	4.9
217.01309	10.7
218.01923	1.5
219.00920	0.6
219.02899	8.1
221.00874	1.3
226.45779	0.4
229.01367	1.1
231.02943	0.8
235.02351	13.3
236.02881	1.1
239.01900	0.5
245.00803	8.7
245.09267	0.6
246.01170	0.8
247.02359	4.7
248.02701	0.7
263.01843	5.0
273.00320	7.2
274.00748	0.6
275.01849	4.9
287.05481	5.3
291.01321	1.6
293.95691	0.4
300.99832	2.3
301.02954	0.5
301.07108	1.0
302.00345	0.5
315.07098	0.9
319.00824	6.5
337.01874	32.8
338.02228	2.1
343.04623	0.6
360.02786	1.1
399.03494	0.4
427.02914	1.1
445.03918	1.1
463.04855	6.5
464.05649	0.6
472.65936	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	463.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.95741	1.1
55.01886	1.8
62.28600	1.0
67.05513	5.1
68.99825	1.0
69.07073	1.5
71.04987	1.5
73.02896	1.6
73.26270	1.0
79.05497	5.8
81.03418	2.1
81.07063	5.3
85.02911	3.0
91.05434	10.0
92.05819	3.6
93.07058	11.1
94.07386	2.6
95.04974	3.5
95.08618	2.3
103.05481	6.9
104.05826	3.1
105.07053	3.5
107.08611	2.9
109.06507	1.1
109.10179	1.8
115.05453	2.2
119.04948	1.9
119.08604	1.3
120.51713	1.0
121.02887	2.1
121.06522	23.1
121.10188	1.9
122.06852	9.9
123.00690	1.1
123.04485	1.5
125.09687	1.1
131.08650	1.1
133.10144	3.5
135.04494	1.5
137.06001	6.1
138.06360	3.3
143.04930	3.0
144.05232	1.3
147.04372	1.1
149.06017	1.8
153.01860	6.3
163.11267	1.5
173.05934	1.4
175.03976	2.3
176.04427	1.3
176.07895	1.2
177.07004	2.1
186.03157	4.0
187.03539	3.8
189.36328	1.2
194.07123	1.7
195.07660	1.5
201.03738	12.7
201.05560	6.5
202.04184	1.2
202.05769	5.3
203.05243	17.7
203.06989	1.3
205.06485	6.2
206.06915	6.8
221.06046	1.6
222.06712	5.5
223.07214	3.8
233.05988	6.4
234.06393	8.1
235.07130	2.3
237.09021	5.1
238.09518	5.6
248.08127	2.3
250.06116	6.1
251.06538	5.9
261.05502	1.2
262.05756	1.7
264.07724	2.2
265.08517	10.8
266.08939	12.7
267.06540	2.0
268.07068	1.6
278.05566	3.1
279.06146	4.6
280.10614	1.1
283.09485	1.5
283.16672	8.1
284.20239	3.6
285.18225	19.2
287.05542	30.2
288.05826	2.2
292.07376	4.2
293.07828	17.4
294.08435	16.0
296.06085	1.2
298.11618	2.6
307.09674	10.4
308.09991	21.8
311.08606	1.6
312.15082	1.3
325.10745	19.7
326.11047	42.4
327.11389	1.9
445.25558	1.2
463.23074	100.0
464.23303	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	463.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
51.91079	0.4
53.00315	2.2
53.03947	6.5
54.59199	0.4
55.01862	0.9
56.53445	0.4
57.03431	2.0
66.61539	0.4
67.01870	2.4
68.99791	1.0
69.03435	17.3
69.08849	3.4
70.81693	0.4
71.01356	1.4
71.04993	3.7
72.20937	0.4
73.04754	1.3
77.03936	1.0
79.05492	4.2
81.03423	17.1
82.03750	0.5
85.02911	5.8
91.05801	1.3
93.07077	0.6
95.04968	1.3
97.02894	5.6
99.04457	6.1
101.02396	0.8
103.05463	3.2
105.03399	1.3
105.07034	100.0
106.07364	3.6
106.07949	0.5
107.04961	1.4
109.02882	13.6
109.03583	0.9
110.03256	0.5
117.03397	1.0
121.06509	18.1
122.09673	39.9
123.04380	0.6
123.10012	0.9
125.02353	1.6
127.03920	17.2
128.04301	0.7
133.02853	3.9
135.04410	1.2
137.02365	0.7
138.09106	2.2
145.02855	1.2
145.04942	0.9
147.04396	1.1
151.03941	1.5
153.01831	1.3
153.03003	0.4
161.02336	6.4
163.03914	6.8
165.01820	1.5
167.05618	0.8
173.02376	1.2
175.03928	0.6
177.01852	0.7
179.03397	2.9
180.10207	17.2
181.01321	0.5
181.10765	0.6
189.01820	12.1
190.02339	1.0
191.03397	6.5
193.01353	1.6
195.02943	0.7
201.01878	2.1
203.03441	0.5
205.01445	0.6
207.02911	6.5
217.01337	19.3
218.01813	1.8
219.02876	8.9
221.00790	2.8
229.01405	1.3
231.02884	0.8
233.14809	0.5
235.02394	20.7
236.02792	1.5
239.01990	0.8
245.00816	14.5
246.01224	1.6
247.02408	5.8
257.00766	0.5
263.01889	8.3
264.02158	0.6
273.00296	11.9
274.00787	1.5
275.01855	3.9
276.02194	0.5
277.03577	0.5
291.01355	3.6
296.03302	0.4
300.99799	4.8
302.00439	1.0
303.01505	0.6
319.00861	18.1
320.01254	1.3
333.02267	0.5
337.01892	18.9
338.02316	1.2
359.02914	0.6
360.02951	1.1
361.02139	2.0
389.05127	0.9
430.09064	0.7
445.04068	2.0
463.05023	9.5
464.05713	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	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03937	3.5
55.01878	3.1
55.05517	21.4
57.03437	7.0
57.07069	2.6
61.50616	0.7
64.91496	0.7
65.03938	2.8
67.05508	81.3
68.05833	1.4
69.07072	29.6
69.71045	3.0
69.71375	0.9
70.07402	0.9
71.05008	5.7
71.08624	0.7
73.02912	1.5
77.03947	1.0
78.51942	0.6
79.05496	53.0
80.05828	1.6
81.03443	3.7
81.07059	100.0
82.07386	1.4
83.04986	8.4
83.08620	16.7
85.02959	0.8
85.06548	4.7
91.05476	26.9
93.07046	75.2
94.07388	1.8
95.04976	7.5
95.08610	26.3
96.08913	0.9
97.06535	14.1
97.10158	2.1
98.10560	0.8
99.04480	1.2
99.08099	3.0
105.04542	2.5
105.07033	11.8
107.04972	1.3
107.08597	40.1
108.08963	1.0
109.06500	3.7
109.10170	4.1
111.08085	9.2
113.09676	1.1
117.07029	12.5
119.08564	4.1
121.06519	2.7
121.10144	20.9
123.08070	1.0
123.11726	3.1
126.75823	0.9
127.07555	1.0
128.58406	0.6
129.07063	0.9
131.08582	13.0
131.09523	1.3
133.10132	9.3
135.08049	2.4
135.11700	11.1
139.11194	1.4
147.04422	2.3
147.11697	2.6
149.13266	43.0
150.13603	1.2
151.11209	1.3
153.01830	1.3
156.99193	0.7
159.11694	17.3
165.12910	0.7
167.14377	1.4
177.12758	9.6
187.05264	0.7
191.07076	2.1
195.13809	17.5
196.14125	0.9
213.14912	3.2
287.05487	7.3
300.29211	1.3
371.25281	1.8
373.16995	0.8
397.43164	0.8
427.28311	0.8
445.29260	1.3
463.30591	54.9
464.31302	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03942	4.1
55.01870	3.2
55.05511	18.6
57.03434	7.0
57.07079	4.0
62.81758	0.5
63.06794	0.6
65.03947	4.2
67.05504	82.9
68.05832	1.4
69.07069	29.4
69.62523	1.4
69.62914	1.3
70.07398	0.6
71.01338	0.9
71.04993	4.5
71.08602	0.7
73.02908	0.7
77.03944	1.0
79.05493	54.6
80.05815	1.0
81.03427	3.4
81.07056	100.0
82.07391	1.8
83.04980	7.4
83.08620	18.1
85.06542	5.5
91.05481	29.7
93.07042	73.0
94.07398	1.6
95.04967	6.9
95.08606	24.7
97.06525	14.7
97.10176	2.4
98.23299	1.2
99.04421	0.9
99.08109	3.9
105.04528	1.8
105.07034	11.3
107.04952	1.2
107.08592	41.2
108.08878	1.0
109.06510	2.8
109.10159	4.6
111.08089	9.3
113.06028	0.8
113.09668	1.1
117.07018	10.3
119.08554	3.2
121.06485	2.2
121.10146	23.4
121.11022	1.2
123.08077	1.3
123.11687	3.0
125.09621	1.2
127.07553	1.2
129.06989	0.9
131.08563	11.9
132.35953	0.5
133.10120	9.8
135.08064	2.1
135.11694	10.9
139.11201	2.2
145.10120	0.7
147.11705	1.7
149.09689	1.2
149.13257	50.3
150.13620	2.3
151.11189	1.6
153.09132	1.2
157.10181	0.6
159.11679	17.6
160.12039	0.6
165.12764	0.7
167.14345	1.5
177.12740	9.8
195.13785	20.1
213.14857	3.4
233.15323	0.6
251.16484	0.8
269.17502	1.0
320.41922	0.6
343.26080	0.7
445.29749	0.7
463.30545	49.9
464.30954	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03944	4.8
55.01875	3.6
55.05511	20.1
56.48006	0.5
57.03438	6.6
57.07078	2.5
58.97396	0.4
59.01084	0.5
62.22363	0.5
62.52446	0.5
65.03943	3.9
67.05507	77.6
68.05842	1.3
69.07069	26.9
71.01349	0.9
71.05003	5.1
71.08625	0.8
71.18221	0.5
73.02946	0.6
74.17254	0.5
77.03944	1.1
79.05494	52.4
80.05827	1.2
81.03442	3.4
81.07056	100.0
82.07390	1.8
83.04987	7.6
83.08619	17.9
85.06544	4.1
88.04189	0.5
91.05478	28.0
92.05750	0.6
93.07044	69.7
94.02438	0.6
94.07377	1.4
95.04977	8.2
95.08604	25.9
97.06535	14.0
97.10183	1.5
99.04495	0.9
99.08076	3.3
105.04517	2.2
105.07037	11.4
105.07751	0.7
106.07333	0.6
107.04990	0.8
107.08595	36.6
108.08930	0.8
109.06516	3.1
109.10160	3.3
111.08077	9.2
111.11704	0.7
113.06056	0.9
113.09660	1.1
115.05476	0.8
117.07020	10.9
119.06023	0.9
119.08609	3.1
121.06513	2.1
121.10143	21.3
122.10474	0.7
123.11708	3.7
125.09650	0.9
131.08566	10.7
133.10130	11.9
133.11073	1.0
135.08072	2.3
135.11691	10.9
139.07547	0.7
139.11176	1.9
142.63873	0.5
144.09354	0.6
147.11685	1.7
148.31329	0.6
149.09644	1.1
149.13257	41.6
150.13623	2.1
151.11215	1.1
159.11688	17.2
159.12999	0.9
167.14377	1.8
177.12730	8.6
195.13805	17.9
196.14209	0.7
213.14897	2.7
246.10638	0.5
267.02490	0.6
269.17621	0.6
332.88388	0.5
400.82953	0.6
431.57980	0.5
463.30530	48.0
464.30923	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	39.2
55.40572	7.6
57.03436	20.6
58.37258	8.0
58.86461	7.1
65.03951	11.8
67.05505	97.6
69.07079	42.4
71.04993	9.9
71.30039	8.0
71.30510	9.7
71.30888	10.0
79.05495	78.8
81.07056	81.5
83.08627	23.5
91.05467	100.0
93.07043	77.9
95.04958	11.2
95.08591	62.5
97.06506	8.3
101.50204	8.8
105.07036	90.0
107.08610	30.7
109.10168	27.4
113.64036	9.7
114.19670	9.8
117.07024	56.9
119.08575	61.0
121.06498	11.4
121.10134	19.9
123.11747	10.1
129.07004	25.3
131.08583	99.0
133.06567	9.2
133.10162	37.4
135.11763	10.1
141.07025	11.8
143.08575	18.7
145.10139	46.6
147.08015	9.5
147.11711	12.3
149.13304	11.3
155.08533	13.1
157.10136	22.7
159.11676	16.0
169.10162	12.6
171.11708	15.3
173.13188	10.2
195.06468	11.8
195.11691	13.5
233.15388	9.5
246.09584	9.2
325.25296	10.2
327.73358	8.7
335.23666	14.6
343.26370	24.1
353.24738	45.8
371.25742	72.0
389.26938	63.5
445.29575	67.6
463.30621	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
51.27922	0.7
53.03950	4.7
53.09541	0.8
55.01869	3.7
55.05514	20.0
55.11818	0.7
57.03435	7.0
57.07080	1.5
59.75201	0.8
64.52429	0.7
65.03937	4.5
67.05508	81.6
68.05855	1.3
69.03407	1.1
69.07069	26.2
71.04995	5.7
72.36597	0.7
77.03931	0.9
79.05496	54.4
80.05829	1.0
81.03425	3.3
81.07058	100.0
82.07392	2.0
83.04990	6.3
83.08622	16.1
85.06547	5.4
86.23918	0.8
91.05480	45.4
92.05784	1.3
93.07046	64.9
94.07386	1.0
95.04972	9.5
95.08611	31.1
97.06535	12.6
97.10184	3.1
99.04452	0.8
99.08092	3.9
103.05457	1.3
105.04539	2.8
105.07034	28.9
106.07380	1.4
107.04976	3.0
107.07867	2.0
107.08598	38.2
109.06511	4.2
109.10169	8.6
111.08092	6.5
113.09655	0.8
113.57607	0.8
115.05466	2.1
116.00460	0.9
117.07012	19.8
119.08582	16.0
120.08927	0.8
121.06500	3.8
121.10138	19.2
122.10529	0.9
123.08086	1.9
123.11747	2.8
125.09674	1.7
128.06239	2.3
128.21475	0.9
129.07008	7.7
131.08571	25.9
132.46547	0.9
133.06511	1.6
133.10130	17.9
133.11053	1.3
135.08080	3.1
135.11693	9.6
139.11227	0.9
141.07002	3.1
142.07826	0.8
143.08580	6.5
145.06487	1.6
145.10120	10.8
147.08029	2.2
147.11720	5.8
149.09671	3.2
149.13261	27.7
150.13593	1.0
151.11171	2.1
155.08568	3.2
157.10147	4.4
159.11691	17.0
161.13313	1.1
163.11157	1.4
167.08618	0.9
167.14267	1.0
169.10089	3.8
171.11722	3.3
173.13316	3.0
175.11151	0.8
177.12753	6.6
181.10165	2.0
183.11728	2.9
185.13277	2.7
187.14790	1.3
195.11880	1.8
195.13789	16.0
197.13187	1.9
199.14943	1.2
211.14880	1.0
213.14799	1.8
223.14893	1.3
233.15451	1.6
247.16881	2.4
259.17078	1.7
261.18564	2.1
273.18689	1.0
273.68192	1.0
325.25339	1.5
335.23755	3.7
343.26440	3.5
344.26410	1.1
353.24817	11.0
371.25833	13.2
372.25903	1.4
389.26877	12.1
445.29517	18.3
446.30054	1.6
463.30637	47.6
464.30804	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	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02363	1.0
53.03956	5.3
55.01874	3.4
55.05516	17.2
57.03448	7.2
57.07075	3.1
65.03953	4.1
67.05509	76.4
67.24732	0.8
69.07076	26.4
71.04998	5.7
73.67015	0.8
79.05498	49.5
81.03415	2.7
81.07063	100.0
82.07390	2.5
83.04972	7.0
83.08625	18.6
83.09114	1.1
85.02905	1.3
85.06577	4.2
88.20473	0.9
91.05484	28.6
93.07049	69.8
94.07322	1.0
95.04962	6.5
95.08614	24.0
96.08923	1.6
97.06546	13.0
97.10160	1.7
99.08100	3.8
105.04545	1.3
105.07027	10.8
107.07870	1.8
107.08601	37.1
108.08936	1.0
109.06551	2.8
109.10163	3.4
111.08097	8.2
113.09673	1.7
115.05495	1.4
117.07028	10.3
119.08614	3.0
121.06551	1.6
121.10151	23.7
121.11017	1.2
123.11730	3.4
131.08580	11.3
133.10127	8.4
135.08136	2.2
135.11707	10.5
139.11201	2.9
147.11696	2.1
149.09592	1.2
149.13266	47.7
150.13560	1.8
151.11118	1.0
159.11702	20.3
168.57263	0.9
177.12750	9.9
195.13797	17.3
213.14899	2.0
269.17575	1.0
287.05542	7.5
288.06021	1.0
422.87967	1.0
441.11301	0.8
445.29483	6.1
463.30997	48.8
463.37283	1.6
464.30780	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	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02368	1.0
53.03953	3.9
53.52382	0.6
55.01884	3.3
55.05512	17.2
57.03446	5.1
57.07075	2.2
65.03938	2.8
67.05506	76.9
68.05824	1.4
69.03441	0.7
69.07070	22.4
71.05005	5.3
71.08616	1.0
72.52391	0.7
73.02922	0.7
79.05498	47.7
80.05848	0.6
81.03408	4.1
81.07059	100.0
82.07378	1.2
83.04985	9.0
83.08624	17.2
85.06545	6.1
91.05483	30.4
92.05828	1.3
93.07047	63.6
94.07380	1.1
95.04979	7.8
95.08607	22.8
97.06532	11.6
97.10172	2.3
99.08093	3.3
99.88563	0.6
105.04513	2.1
105.07030	13.3
107.04963	1.1
107.08595	31.3
108.08918	1.2
109.06522	2.9
109.10175	4.8
111.08081	6.2
111.11668	0.8
113.05958	1.3
115.05444	1.0
117.07009	10.9
119.08579	4.8
121.06513	2.8
121.10147	17.9
123.11742	3.6
127.07533	0.9
129.07007	1.6
131.07684	1.2
131.08582	11.7
133.10138	14.1
135.08076	2.5
135.11707	11.0
139.11197	1.5
143.08626	0.7
144.09395	0.7
145.10100	1.5
147.11627	1.6
149.09636	1.0
149.13264	36.9
150.13626	1.3
151.11189	3.0
157.10161	1.4
159.11710	15.6
166.54716	0.7
167.14331	2.0
173.13190	0.9
173.85123	0.7
177.12759	8.0
195.13806	22.3
196.14148	0.8
199.14862	0.7
213.14888	2.4
233.15434	0.7
353.24640	1.2
371.25980	2.8
376.83945	0.7
389.26773	1.6
403.72586	0.9
445.29581	2.2
448.48395	0.8
463.30551	56.1
464.30945	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
55.01862	7.5
55.05517	38.1
57.03430	12.3
57.07069	3.4
63.82376	2.8
65.03934	5.1
67.05508	88.1
69.07072	35.9
69.23857	17.1
71.04993	6.2
79.05495	78.0
81.03407	3.3
81.07059	92.6
82.61693	3.5
83.04977	7.8
83.08605	16.4
85.06541	5.9
89.06001	4.4
91.05481	100.0
91.06014	7.1
93.07047	74.7
94.93969	3.3
95.04974	13.1
95.08604	52.4
97.06538	10.5
97.10153	4.6
98.23328	6.4
103.05479	5.2
105.04543	3.0
105.07032	78.3
107.04951	7.0
107.08595	32.8
109.06513	9.0
109.10143	15.5
111.08099	6.5
115.05481	6.3
117.07025	43.1
119.08579	52.6
121.06496	11.4
121.10153	33.3
123.08110	5.3
123.11716	5.2
123.69006	2.9
127.07526	3.4
128.06238	5.3
129.07002	32.9
131.08580	60.5
133.06506	6.3
133.10127	31.3
135.08070	7.2
135.11702	13.1
141.06978	8.5
143.08546	27.2
145.06482	4.8
145.10141	36.3
147.08076	5.0
147.11661	6.2
149.09625	9.9
149.13268	14.4
155.08571	11.1
157.10176	19.3
159.11667	17.2
161.09650	4.5
161.13269	3.9
169.10124	9.4
169.98062	3.0
171.11707	12.4
173.13271	6.9
177.12750	5.1
181.10184	9.4
183.11673	10.7
185.09592	4.2
185.13298	8.4
187.14812	7.4
195.11777	6.7
195.13754	7.5
197.13274	9.2
199.11185	4.1
199.14861	6.2
211.14874	5.8
233.15453	3.5
245.15443	3.7
247.16933	9.2
259.17145	5.9
278.85483	4.2
287.05396	25.0
287.20142	5.4
325.25311	8.6
335.23758	6.6
343.26337	12.8
353.24744	29.6
371.25836	49.2
389.26907	45.6
427.28305	4.3
445.29416	45.9
446.30090	6.7
463.29633	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.4
55.01870	4.0
55.05512	16.3
57.03449	6.3
57.07077	4.1
65.03940	4.0
67.05507	77.5
68.05833	1.5
68.10269	0.9
69.03420	1.0
69.07072	27.7
70.32578	0.9
71.01337	1.1
71.05000	4.9
73.02933	1.2
77.03951	0.9
79.05019	1.0
79.05494	50.5
81.03430	3.1
81.07059	100.0
82.07397	1.9
83.04977	6.1
83.08624	16.9
85.06545	6.0
91.05479	26.0
93.07045	69.9
94.07380	1.0
95.04967	7.7
95.08610	25.1
97.06529	13.4
97.10174	2.0
99.08105	4.3
105.04469	1.3
105.07036	10.6
107.05013	1.2
107.08595	39.8
108.08937	1.2
109.06530	4.2
109.10178	4.5
111.08089	9.9
113.06017	1.1
113.09634	1.2
117.07025	10.3
119.08597	4.0
121.06495	1.8
121.10145	24.3
123.11694	2.8
125.09613	1.3
131.08568	12.5
133.10127	9.7
135.08099	2.1
135.11700	11.1
139.11160	2.0
147.11708	2.7
149.13258	50.8
150.13631	1.5
156.74200	1.0
159.11714	18.8
159.12996	1.5
166.72171	1.1
167.14342	1.6
177.12749	11.2
195.13802	19.8
213.14844	4.6
287.05475	7.4
315.23920	0.9
319.91827	1.1
322.15350	1.0
333.22092	1.1
374.56851	0.9
379.71429	1.0
390.67987	1.0
463.31042	47.3
464.30780	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
51.13412	57.7
55.62458	52.4
57.07083	100.0
59.37339	57.7
66.46665	58.6
69.07054	66.0
71.31512	66.4
77.83135	60.1
81.07071	81.7
83.08586	85.8
91.83623	61.0
95.08604	71.4
99.69578	59.1
119.08537	84.9
119.84915	61.8
121.10159	72.7
124.81985	68.6
143.78108	66.7
191.25407	61.2
203.18272	81.8
212.36534	54.4
225.16501	61.8
248.86842	69.5
419.83868	68.5
445.37506	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.20265	2.1
55.01858	3.2
55.05519	19.1
57.07079	36.0
67.05512	11.0
69.07072	26.7
70.95866	3.9
71.08636	24.3
76.38669	1.8
78.31006	1.9
79.05492	6.0
81.07062	21.6
83.08622	15.3
85.10189	13.7
91.05475	7.0
92.90721	1.7
93.07045	8.0
95.08601	18.6
97.02891	1.9
97.06555	3.3
97.10153	12.6
99.04478	5.7
99.81401	1.9
105.07039	7.9
107.04968	2.2
107.08617	6.9
109.06522	14.9
109.10144	10.3
111.08083	3.7
111.11738	4.0
119.08590	4.1
121.06528	2.4
121.10152	4.1
123.07322	2.4
123.08035	12.2
123.11743	3.8
125.06013	19.5
125.09685	3.1
125.13333	2.2
127.07563	35.8
131.08586	3.6
133.10182	2.9
135.08043	2.8
135.11740	3.4
137.05980	8.4
137.09633	2.9
139.07549	100.0
140.07939	2.2
145.10136	3.1
147.11714	3.7
149.06001	2.8
149.09628	3.9
149.13235	2.2
151.07570	7.4
161.09656	2.7
161.13261	3.1
163.07675	2.5
165.09129	2.3
167.07059	4.3
175.14871	2.6
177.09062	10.0
179.10793	2.3
193.12241	2.7
203.10545	2.1
218.89949	2.5
249.15070	2.5
301.28833	5.5
319.30014	7.1
347.32993	12.0
373.31000	2.6
417.37296	14.9
445.36734	51.1
446.36975	3.8
463.37793	35.4
464.38031	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.8
57.07088	28.9
66.92216	3.4
67.05522	7.5
69.07073	25.7
70.43127	5.7
71.08639	21.0
79.05513	4.4
81.07051	19.2
83.08623	14.4
85.10191	12.3
91.05495	6.5
93.07058	7.1
95.08609	16.3
97.10176	13.4
105.07042	8.1
107.08566	9.3
109.06531	9.7
109.10165	9.1
119.08577	5.4
119.24538	3.6
123.08083	9.6
123.11729	4.6
125.06013	14.3
126.93571	3.6
127.07560	41.1
130.91187	4.0
137.09531	4.0
139.07545	100.0
139.08606	7.1
149.06100	3.9
151.07642	4.8
167.07117	5.8
177.09117	14.0
188.84557	3.7
204.58603	3.6
301.28943	6.1
319.30005	11.4
347.33096	16.1
353.73685	3.9
373.31009	5.7
417.37204	12.2
422.62628	3.7
445.36731	27.3
463.37762	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
61.02921	0.8
69.03437	2.1
70.06591	1.0
71.05000	0.5
71.30522	0.5
73.04752	0.9
81.03416	1.4
83.04975	0.4
85.02903	7.9
85.03378	0.7
91.05833	0.8
97.02904	2.3
99.04430	0.5
103.03944	0.4
109.02855	1.1
123.04437	8.3
124.03993	0.5
124.04807	0.5
127.03922	2.5
135.12288	0.3
137.02374	0.8
137.06021	0.6
139.03891	0.6
145.04970	3.2
147.04381	0.6
149.06091	0.3
153.01825	1.7
154.02083	0.6
154.33452	0.4
163.03877	0.5
163.06029	0.9
177.05476	0.4
184.07573	0.9
192.17772	0.5
198.05620	0.4
200.07076	1.0
210.05457	0.5
212.07014	0.4
214.08586	0.7
224.06990	0.9
231.02917	1.6
240.06659	1.0
251.05809	1.2
251.09210	0.4
252.06557	9.7
253.07083	0.9
254.08130	0.7
257.00781	0.8
259.02417	2.4
266.04422	0.5
267.05374	0.7
268.06036	10.3
269.06818	1.2
270.07599	1.5
272.22372	0.4
277.03455	6.5
278.04483	9.7
279.04962	0.8
280.06070	3.4
282.07593	4.5
287.05038	0.6
296.05527	5.2
297.06329	7.3
298.07050	1.1
301.06888	0.7
302.07596	2.1
303.01370	4.0
303.05051	2.8
308.05524	0.5
312.05295	0.4
313.05750	6.6
314.06522	8.7
326.06485	3.3
330.07394	0.6
331.08435	1.5
332.09244	1.0
340.04623	1.4
341.05231	7.2
342.05862	0.6
344.09216	0.9
346.10831	0.5
354.07193	0.7
355.03149	0.4
355.08817	0.4
356.09201	1.8
358.06952	0.6
360.08591	0.7
361.02774	0.8
372.08804	1.1
374.10022	1.8
384.08649	1.5
390.09351	0.5
391.10645	0.4
392.11032	0.9
400.08173	12.5
400.13281	0.8
401.08612	1.1
402.09708	11.5
403.10080	0.8
408.77847	0.5
418.09387	0.9
420.10535	0.5
428.07855	0.5
436.10208	3.7
437.10123	0.5
446.08740	15.4
447.09189	1.5
464.09790	100.0
465.10229	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	464.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
61.02924	1.1
65.03943	1.1
68.99799	2.0
69.03430	2.9
69.90247	2.0
69.90639	2.1
71.04980	1.2
73.02918	1.3
75.48685	0.9
77.03933	1.3
81.03423	1.7
81.07086	1.2
85.02907	5.0
95.04972	2.0
97.02884	1.5
104.62648	1.1
105.03407	1.7
109.02906	1.3
111.00864	1.3
111.04433	1.6
121.06538	2.5
122.19972	1.0
123.04435	100.0
124.03999	1.3
124.04803	1.4
127.03949	1.9
135.04445	1.6
137.02304	1.4
139.03911	30.2
140.04144	1.1
145.04971	1.1
146.06018	30.0
147.04440	5.7
151.03911	6.0
153.01825	9.6
163.03888	2.3
163.07628	1.9
167.06940	1.1
174.05556	8.5
181.06529	1.1
189.05579	1.7
192.06587	8.7
273.07593	27.1
274.08017	1.6
300.83279	1.2
303.04999	21.9
318.03882	5.1
333.06155	12.0
333.17313	1.0
422.05893	1.1
463.21423	3.2
464.16177	1.4
464.21918	11.4
465.10443	2.7
465.16800	1.2
466.20618	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	464.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01868	0.5
56.24822	0.4
65.03947	0.8
67.05481	0.9
68.99770	1.0
69.03413	0.8
69.96752	0.4
71.29436	0.9
77.33334	0.5
77.73888	0.4
81.03403	0.7
85.02893	2.1
86.09706	1.7
91.05463	1.0
92.76756	0.5
93.03432	0.6
93.98763	0.5
95.04981	1.4
95.08584	0.5
97.02856	0.6
103.99878	0.5
105.03383	1.4
109.02900	0.9
111.00810	2.6
111.04444	1.3
117.06990	0.5
121.02876	2.2
123.04430	51.6
124.04780	0.7
127.03923	1.1
128.04955	0.9
128.26781	0.5
131.04854	0.6
134.34982	0.5
135.04395	0.7
137.02359	4.1
139.03903	23.0
140.04364	0.5
145.06546	0.6
146.06004	19.8
147.04411	3.9
147.06296	0.6
149.02339	0.7
151.03908	1.7
153.01825	4.5
161.05969	0.6
161.68510	0.6
163.03894	1.9
163.07605	0.4
165.01859	1.9
173.05998	0.7
174.05487	3.7
183.02899	1.2
188.63281	0.5
192.06549	6.7
201.05510	2.3
219.02979	0.5
229.04910	4.8
231.02802	1.2
257.04471	3.4
258.05255	1.0
259.02585	0.9
259.05493	1.2
263.86594	0.5
273.07578	15.1
274.04767	1.1
274.07742	0.6
277.03317	2.5
285.03937	2.9
286.04529	8.3
287.05118	11.5
288.05743	4.4
290.51196	0.5
301.07074	7.5
301.10321	0.6
302.07391	19.6
303.04974	100.0
321.56870	0.6
428.28687	0.5
464.26776	0.7
465.10254	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	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59557	0.7
69.07072	2.7
77.76669	0.5
78.80071	0.5
86.09709	100.0
87.10034	1.7
112.02831	0.6
120.98552	0.5
121.06509	3.8
132.10205	60.5
133.10538	1.0
137.05989	2.0
138.09142	1.6
143.01944	1.1
144.06474	0.6
153.01903	1.1
161.02966	1.7
168.46429	0.6
203.04115	0.9
259.94717	0.7
303.05240	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	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70747	0.7
53.03947	3.9
54.04270	0.8
55.01879	4.5
56.13542	0.7
57.03440	5.1
61.02929	9.7
64.58537	0.7
68.87397	0.7
69.03435	20.3
69.03813	1.1
70.03771	1.2
70.06579	0.9
71.04992	3.1
73.02919	3.6
79.05489	3.2
81.03423	14.4
82.03746	2.0
83.01323	1.7
84.04520	1.1
85.02908	100.0
86.03194	0.9
86.04153	0.7
87.04456	2.3
91.03962	4.6
97.02895	28.7
98.06081	0.8
99.04459	5.9
105.03407	2.2
105.07063	0.8
107.04940	1.1
109.02882	15.6
110.03242	1.8
115.03930	1.0
121.06516	3.5
121.84418	0.7
123.04424	8.9
127.03918	32.0
128.04254	1.8
133.02870	1.3
134.03143	1.0
135.04373	0.8
135.08070	2.0
144.06578	2.0
145.04962	41.2
153.01888	1.1
160.90163	0.8
161.02377	1.7
162.02792	1.3
162.07677	0.9
163.03972	3.9
163.06029	14.0
164.04239	2.2
165.01924	1.5
173.02380	1.0
175.03894	0.9
179.03409	1.7
180.03708	1.2
180.08794	1.4
181.08638	1.3
189.01877	2.2
190.02248	2.3
191.03404	4.7
192.03781	3.2
193.01309	1.1
194.01704	0.9
201.01813	1.5
203.03403	1.2
207.02962	2.9
208.03261	2.2
210.32603	0.6
215.03462	1.1
217.01355	3.3
218.01711	4.5
219.02913	6.1
220.03290	2.5
221.00806	5.5
222.01311	0.9
231.02992	2.6
235.02400	6.2
236.02711	6.6
239.01883	1.4
245.00888	1.9
246.01274	4.7
247.02350	4.2
248.02853	2.2
257.00873	1.4
259.02432	4.0
259.53030	0.7
263.01923	2.3
264.02213	2.7
273.00345	2.4
274.00711	4.3
275.01855	4.7
276.02243	2.3
277.03406	7.8
285.00671	1.0
302.00314	1.5
303.01389	6.2
303.05060	2.1
319.00876	1.7
320.01251	3.1
321.02042	1.0
337.01950	7.1
338.02234	16.1
338.06134	1.1
339.02972	2.1
446.04028	0.9
464.05420	8.1
465.06631	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	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
61.02951	0.8
69.03430	3.8
70.06593	1.1
71.05005	1.2
71.28701	1.1
72.08143	0.9
73.02899	0.8
79.01846	2.4
81.03422	8.2
85.02901	5.1
86.09686	1.9
97.02886	8.1
99.04464	1.3
107.01337	2.2
109.02871	4.5
120.08089	1.3
121.06512	2.4
124.38428	0.7
125.02345	3.0
127.03922	7.7
129.89226	0.6
143.03403	4.1
145.05016	1.6
151.03940	1.0
153.01831	100.0
153.02866	4.4
153.05450	2.2
154.02180	3.6
167.03418	1.6
168.03781	1.2
171.02896	14.8
176.38269	0.6
177.01846	0.8
186.76205	0.6
188.79204	0.7
203.03297	1.1
225.86867	0.6
229.04913	0.8
257.04486	1.3
262.51407	0.6
285.03818	0.8
297.06067	11.2
302.07437	0.7
302.19598	0.9
303.04987	99.9
315.07205	10.6
345.06036	1.1
444.91751	0.7
477.62289	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	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01869	1.9
56.05043	0.5
57.03440	4.0
61.02927	9.2
63.20185	0.4
69.03431	17.9
69.21005	2.8
71.04994	2.0
73.02927	3.1
76.02213	0.4
77.55471	0.4
79.05502	0.8
81.03418	7.9
81.07047	0.9
82.53563	0.4
83.01369	0.8
84.04511	2.2
84.24543	0.4
85.02905	100.0
86.03240	1.7
87.04471	2.1
88.02293	0.4
91.03956	5.7
96.08120	1.0
97.02893	26.7
98.03255	0.7
98.09688	0.6
98.22623	1.0
99.04465	5.2
101.02364	0.9
103.03941	0.7
105.07024	7.0
105.07682	0.6
107.82442	0.5
109.02878	9.2
115.03945	1.6
115.33053	0.4
116.01653	1.3
118.66183	0.5
120.08162	0.5
127.03915	27.2
128.04283	0.7
133.06493	0.6
136.67407	0.5
142.08609	0.5
145.04956	53.9
146.05309	1.1
147.04425	0.7
147.08049	0.9
162.02223	0.9
163.06013	26.1
164.06461	0.5
167.03439	0.5
170.08124	1.1
171.08090	0.5
179.04951	0.7
180.08623	0.5
182.85254	0.4
189.09100	0.5
189.45280	0.5
191.03304	0.6
219.03017	0.5
220.03282	0.4
221.00844	0.5
231.10196	1.5
235.02312	0.5
243.08864	1.7
244.09576	0.8
247.02325	0.5
249.11395	0.7
256.06134	0.5
259.11115	3.7
274.00763	0.5
277.03391	0.6
285.13394	2.4
303.01328	1.2
303.04666	0.5
325.11172	0.8
338.02176	0.5
339.03400	0.6
378.15308	1.1
412.51099	0.5
464.20740	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	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
57.03431	2.6
62.83123	2.2
69.03429	9.0
84.04495	5.8
85.02913	11.0
91.05459	2.3
97.02922	3.3
98.23389	5.6
99.68816	2.5
105.07043	3.4
107.04955	3.0
109.02907	3.9
116.01662	2.9
117.03371	3.2
119.04968	4.3
127.03915	7.1
133.06499	6.1
133.10162	2.7
134.34065	2.4
147.04356	2.7
149.06012	4.2
151.03911	2.9
153.01834	21.3
153.05507	8.1
161.06024	11.8
162.02251	3.3
168.07832	10.6
170.08160	4.4
177.05457	3.4
187.03876	3.7
193.08621	15.7
196.07339	11.2
197.96857	4.0
201.01918	3.6
211.09688	19.1
211.98412	7.0
212.99110	6.4
213.99898	2.6
229.01411	4.8
231.02925	12.2
241.01454	3.1
247.02376	5.4
256.01059	3.7
257.00848	9.3
259.02414	18.4
259.11136	10.0
275.01816	7.4
277.03476	55.9
285.00293	5.2
285.13297	8.1
302.01523	28.6
302.07239	4.1
303.01428	100.0
303.04977	12.5
310.18002	2.6
359.11627	2.7
464.10248	4.8
464.21814	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52038	0.3
53.03955	1.6
55.01853	0.9
57.03436	1.5
59.99492	0.3
68.99772	0.3
69.03433	9.0
69.85878	0.6
69.86270	0.6
70.06540	0.3
71.01323	0.7
71.05009	1.3
73.02918	2.5
73.30286	0.3
73.30682	0.3
79.05477	0.3
81.03423	6.5
83.01335	0.4
85.02446	0.5
85.02913	6.9
86.09653	0.3
87.04450	0.8
89.03905	0.4
91.05447	0.7
97.02893	1.9
98.22723	0.4
99.04453	1.5
101.02377	0.5
103.05441	1.0
109.02876	3.4
117.03355	0.5
119.04919	0.8
127.03924	10.3
128.04234	0.6
129.03354	0.4
131.04901	1.3
133.02763	0.3
137.02292	0.5
145.02835	0.8
147.04422	1.7
148.59781	0.3
151.03911	0.6
153.01794	1.2
157.02844	1.5
159.04378	0.5
163.03883	1.2
164.33510	0.3
173.02303	1.3
175.03912	2.8
177.01942	0.3
177.05457	0.4
180.48433	0.2
185.02298	1.9
187.02371	0.5
187.03926	5.5
189.01799	0.3
191.03435	2.3
192.04073	0.3
201.01808	2.2
202.02742	0.3
203.03407	4.5
204.03925	0.3
207.02875	0.4
213.01875	4.0
215.03381	4.4
217.01297	0.5
219.02919	1.9
221.00803	1.0
229.01353	2.7
230.02068	0.6
231.02893	20.8
232.03252	0.8
233.00859	0.5
239.01872	0.4
241.01346	4.1
247.02417	4.4
257.00842	4.3
259.02396	36.1
260.02713	2.3
261.04022	0.6
275.01859	6.3
276.02704	2.8
277.03439	100.0
278.03772	5.3
285.00281	3.6
302.04071	0.3
303.01370	49.3
304.01706	2.7
315.05020	1.0
321.02222	2.0
337.02386	0.3
339.02899	1.4
345.06070	1.0
357.05731	0.3
363.03452	1.7
465.06494	3.6
466.06833	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	465.1028
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
53.03949	1.1
55.01873	2.0
65.03933	1.1
69.03438	1.4
69.25171	5.6
70.06585	3.3
75.30063	0.9
75.60382	0.8
81.03403	2.3
85.02910	4.6
86.09724	1.9
88.09746	0.8
97.02920	1.0
98.23328	1.6
103.03893	1.1
105.03386	0.9
109.02863	2.6
111.00816	0.9
112.08722	0.8
120.08105	2.0
121.02863	3.6
123.04441	1.6
127.03900	2.4
131.04878	0.9
133.71022	0.8
135.04439	1.3
137.02350	26.0
137.03392	1.8
138.02675	1.1
141.01807	2.4
149.02377	1.8
151.04024	0.9
153.01840	4.3
156.39586	0.9
161.02336	3.1
161.05896	0.8
163.03897	5.3
164.04790	0.7
165.01869	6.2
167.03407	2.3
167.04781	0.8
171.04483	1.1
173.05939	1.1
177.01834	2.1
177.05461	1.2
183.02917	1.1
187.03894	1.6
189.01788	1.3
191.03456	1.6
195.02859	0.9
197.06032	2.5
198.62276	0.8
199.03824	1.2
201.05484	1.9
203.03421	2.0
203.42114	0.8
207.02855	1.5
215.07063	0.8
217.04837	1.3
221.00739	0.8
225.05475	1.6
229.04977	3.7
235.07664	0.7
239.07161	1.0
241.05070	1.1
242.05620	1.4
243.06415	0.8
253.04971	1.0
257.04535	3.8
259.05975	1.9
261.03860	1.0
267.06494	1.2
271.05966	3.1
274.04703	1.6
277.36026	0.8
281.04462	0.9
285.03925	3.0
285.07230	1.2
287.05389	1.7
288.06375	1.2
295.06058	2.0
299.05521	10.1
301.03436	1.2
302.04291	3.8
303.04980	89.6
304.05295	3.4
309.07455	1.5
311.05627	1.3
313.04025	1.1
313.07007	5.5
315.04984	100.0
316.05521	11.7
317.06366	1.0
327.04993	12.5
327.08441	1.2
328.05396	0.9
329.06522	2.4
337.07184	2.0
339.04999	2.8
341.02774	3.1
341.06522	19.3
342.06958	1.0
343.04633	1.2
345.06058	98.6
346.06436	5.9
353.06625	1.4
355.08215	10.0
365.06671	3.6
367.04459	1.5
369.06049	39.9
370.06235	1.8
381.06100	13.7
383.07483	2.5
393.06042	10.9
399.07199	12.7
400.07095	1.1
411.07086	19.2
412.07266	1.7
429.02631	1.3
429.08197	18.5
430.08575	1.7
447.09195	10.1
465.10623	1.7
465.28378	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	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
61.02930	5.8
63.91546	0.8
64.93625	0.9
68.99795	1.6
69.62663	2.4
73.02929	1.3
85.02913	5.2
89.61742	0.8
91.03989	4.0
97.02901	3.3
98.22546	0.8
101.50578	0.8
109.02914	0.9
111.00819	1.3
121.02863	1.3
127.03838	1.2
131.80585	0.8
137.02354	4.0
153.01817	5.7
161.88924	1.0
163.03836	0.9
165.01868	3.0
184.75911	0.8
201.05446	2.4
229.04979	4.9
257.04471	3.3
285.04007	2.1
303.05011	100.0
304.05344	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	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	0.2
55.01882	0.2
61.02934	0.3
65.03947	0.3
67.01882	0.1
68.44974	0.1
68.99801	1.0
69.03414	0.5
72.70592	0.1
81.03423	0.5
85.02911	1.3
91.03947	0.1
91.05463	0.1
93.03409	0.3
94.67739	0.1
95.04987	0.5
95.08604	0.1
97.02901	0.4
97.41394	0.1
98.23362	0.2
109.02887	0.8
111.00814	1.4
121.02869	1.2
121.06492	0.2
123.04454	0.6
127.03928	0.6
131.04948	0.1
134.48065	0.1
135.04407	0.4
137.02347	4.2
137.03357	0.2
145.04988	0.2
145.06506	0.4
147.04463	0.1
149.02371	0.5
151.03941	1.1
153.01837	5.8
154.02309	0.1
155.04944	0.3
159.04489	0.1
161.06006	0.5
163.03903	0.8
165.01842	2.7
166.02522	0.3
173.05997	0.6
177.05634	0.1
179.03433	0.2
181.08580	0.1
183.02887	0.8
183.04428	0.3
187.03920	0.4
191.03395	0.2
191.07082	0.2
195.02913	0.4
201.05476	2.6
202.05917	0.1
205.04955	0.3
207.03017	0.2
212.75781	0.1
213.05510	0.2
219.02992	0.1
219.06584	0.3
228.04236	0.3
229.04971	5.6
230.05281	0.2
239.03549	0.3
245.04614	0.1
247.06070	0.9
249.73911	0.1
256.03726	0.1
257.04462	3.6
274.04742	1.0
275.05420	0.3
285.03906	1.8
286.04565	0.2
303.04990	100.0
304.05322	5.2
317.08478	0.3
318.03802	0.1
332.08328	0.2
333.06009	0.4
345.05933	0.1
465.10046	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	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03413	0.2
60.44282	0.2
61.02922	0.2
68.99780	1.1
69.03427	0.8
70.06576	0.6
70.55289	0.2
70.55618	0.3
71.04978	0.2
76.71690	0.2
79.05474	0.2
81.03415	0.8
81.07060	0.4
84.08149	0.2
85.02911	1.3
86.09697	0.8
93.07018	0.3
95.04957	0.5
97.02884	0.5
99.04462	0.3
105.07020	0.5
107.08573	0.2
109.02878	1.1
111.00838	1.1
111.04445	0.2
115.05455	0.2
117.06987	0.3
120.08098	0.9
121.02875	1.0
123.04414	0.3
127.03934	0.9
133.04962	0.3
133.10120	0.2
135.04405	0.3
135.08061	0.2
136.07668	0.2
137.02348	4.1
137.03395	0.3
145.04849	0.2
145.06448	0.3
145.10121	0.3
146.06044	0.4
149.02324	0.8
153.01834	5.1
154.02135	0.3
155.04877	0.3
161.05977	0.3
163.03938	0.9
165.01872	2.3
166.02687	0.2
167.63651	0.2
171.02907	0.2
173.05962	0.6
177.05403	0.2
183.02887	1.1
183.04347	0.3
187.03929	0.5
191.03395	0.3
193.01328	0.2
195.02924	0.4
201.05475	2.4
205.04965	0.3
213.05579	0.2
215.03400	0.2
217.05074	0.2
219.02965	0.4
219.06508	0.5
228.04272	0.2
229.04964	5.4
230.05421	0.3
231.02861	0.3
233.04520	0.2
239.03481	0.2
247.05959	0.8
257.04437	3.5
274.04855	1.0
275.05426	0.4
277.03503	0.2
285.03943	1.8
303.04987	100.0
304.05344	4.8
305.78799	0.2
309.80084	0.2
315.04919	0.4
345.06168	0.5
399.73257	0.2
429.09363	0.2
465.10687	1.5
477.78690	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	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.01874	0.4
60.34857	0.2
61.02925	0.5
63.32597	0.3
63.85492	0.3
66.53886	0.2
67.05499	0.7
68.99795	0.8
69.03435	1.6
69.14420	2.0
71.04995	0.4
73.02905	1.0
79.01848	0.4
79.05465	0.4
81.03417	1.6
81.07066	0.7
85.02919	2.4
85.40750	0.3
86.09718	0.5
87.04422	0.4
89.13590	0.3
93.03408	0.7
93.07028	0.5
95.04987	0.5
95.08607	0.7
97.02905	1.3
99.04449	0.4
105.06982	0.6
105.87799	0.3
107.08604	0.3
107.93147	0.2
109.02870	1.8
111.00813	1.3
121.02875	1.2
121.06503	0.7
121.10190	0.3
123.04388	0.6
124.90672	0.3
125.02340	0.6
127.03942	1.7
137.02357	4.0
143.03381	0.4
143.10703	0.4
145.06470	0.3
147.04483	0.4
149.02351	0.5
151.03928	0.6
153.01837	14.6
155.04926	0.3
161.05960	0.3
163.03917	1.1
165.01816	2.7
166.02480	0.4
171.02849	0.8
173.05989	0.8
183.02916	0.9
183.04376	0.4
187.04008	0.3
191.03378	0.8
195.38940	0.3
201.05458	2.5
203.03490	0.3
205.04961	0.6
215.03391	0.4
217.04774	0.3
219.02933	0.7
229.04968	5.3
231.02913	0.5
247.06149	0.8
252.78648	0.3
257.04425	3.0
259.02423	0.4
274.04666	0.9
275.01849	0.8
277.03488	1.3
285.03891	1.1
297.06094	0.6
303.04993	100.0
304.05310	4.9
315.07184	0.6
465.10095	1.1
465.15900	0.5
465.21478	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	465.1031
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03922	0.1
57.03412	0.1
61.02902	0.1
68.99760	0.4
69.03424	0.4
69.51959	0.1
70.06571	0.1
71.01308	0.1
71.29700	0.1
79.05473	0.1
81.03376	0.4
81.07019	0.1
84.32204	0.1
84.98476	0.1
85.02905	1.0
89.03879	0.3
91.05441	0.1
93.07024	0.1
95.01298	0.2
95.08564	0.1
97.02890	0.4
97.67555	0.1
107.04925	0.2
107.86799	0.1
109.02841	0.2
111.00750	0.1
117.03406	0.4
119.04924	0.1
123.00772	1.0
123.04367	0.2
123.37235	0.1
126.13615	0.1
127.03876	0.3
135.04422	2.9
137.02351	1.3
137.03355	0.1
141.01790	0.2
145.02872	0.1
147.04390	0.1
151.00272	0.2
151.03943	0.6
153.01826	0.7
155.04893	0.1
161.02318	0.4
163.03937	0.2
165.01717	0.1
169.01321	3.9
173.05965	0.2
177.05530	0.2
179.74599	0.1
183.04364	0.1
184.92615	0.1
187.02335	0.1
187.03871	0.1
201.05397	0.3
203.03256	0.1
205.04898	0.2
211.03896	0.2
219.06575	0.1
224.22636	0.1
229.04974	0.5
233.04546	0.1
247.06004	0.3
257.04425	0.9
259.02353	0.1
261.03952	0.3
274.04703	0.1
277.03448	0.1
285.03995	0.8
286.04562	0.1
302.04080	0.3
303.04984	100.0
304.05322	5.8
304.08923	0.2
304.10498	0.1
333.06323	0.1
343.04526	0.2
375.33096	0.1
458.34045	0.1
465.10327	6.8
465.20938	0.2
466.10489	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	465.1028
Annotation	3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside
Peak:m/z	Relative Intensity
53.03798	0.5
53.04050	0.5
55.01708	0.7
55.02003	1.3
55.05350	0.7
55.05639	1.2
56.45509	0.3
57.03262	0.4
57.03553	0.7
61.03023	0.3
67.05618	0.3
68.99573	0.5
68.99919	0.6
69.03155	1.0
69.03577	3.7
69.84537	0.9
69.84875	0.3
70.06703	0.5
71.01477	0.3
71.05105	0.4
72.04650	0.4
72.40085	0.4
73.02685	0.3
73.03026	0.4
74.87052	0.2
77.42573	0.3
78.89680	0.3
81.03064	0.9
81.03583	3.5
81.07170	0.5
83.08784	1.1
84.04673	1.4
85.02494	1.3
85.03071	6.3
87.04618	0.5
88.11404	0.4
91.05667	0.8
93.03548	0.4
93.07164	0.4
95.05077	0.3
95.08722	0.4
97.03077	1.3
98.05605	0.3
98.06207	0.7
98.09800	0.4
98.23351	0.3
99.04620	0.9
100.11437	3.1
103.05588	0.5
105.07202	0.3
107.08725	0.4
109.03058	3.1
109.10339	0.4
111.00988	1.2
111.04578	0.6
119.08716	0.3
121.03058	1.4
123.04552	0.6
126.09258	0.3
127.04099	5.3
131.05022	0.5
131.08687	0.6
135.04564	0.4
137.02516	3.6
140.10870	0.5
145.05087	0.4
147.04575	0.8
147.11880	0.3
149.02513	0.5
151.04070	0.5
153.01831	6.2
154.12254	2.1
157.03035	0.8
159.04553	0.4
161.06163	0.4
163.04073	1.0
165.01848	2.3
166.02702	0.4
168.10332	0.5
168.12787	0.3
168.13852	1.4
169.77853	0.3
173.02487	0.5
173.06084	0.6
175.04080	1.1
182.11868	0.4
182.15561	1.2
183.03036	1.0
183.04518	0.4
185.02536	0.9
185.16600	0.5
187.03903	3.1
191.03552	0.8
201.01985	1.1
201.05424	2.4
203.03418	2.2
210.14998	1.2
213.01837	2.0
215.03433	1.8
219.03015	0.7
219.06578	0.5
228.16112	0.6
229.01425	0.9
229.04961	4.7
231.02878	11.6
232.03313	0.4
241.01279	1.9
247.02461	1.3
247.06017	0.7
257.00888	1.1
257.04453	3.3
259.02396	15.9
260.02771	0.9
261.04022	0.3
274.04807	0.8
274.84116	0.3
275.01871	1.8
275.05148	0.3
276.02597	1.1
277.03433	47.4
278.03772	2.4
281.18661	1.5
285.00403	0.8
285.03937	1.5
287.02142	0.3
295.20172	1.1
298.24725	0.3
303.01382	16.0
303.04922	100.0
304.01611	1.0
304.05246	4.7
315.04901	1.2
321.02188	0.8
322.09634	0.3
363.03192	0.4
419.47125	0.3
447.32932	0.6
465.05704	1.1
465.10388	0.8
465.20273	0.8
465.34564	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.4
55.05516	23.9
57.03436	11.2
57.07064	8.3
59.04975	2.1
65.08540	1.9
67.05503	14.5
67.15063	2.0
69.03089	16.6
69.07072	26.1
71.08627	5.6
73.02918	7.9
74.14287	2.1
75.90665	1.8
79.05483	7.5
81.07057	13.2
83.08628	22.2
85.10203	2.0
90.34350	1.8
91.05468	6.4
93.07043	9.0
95.08585	9.1
97.06528	5.3
97.10175	15.9
98.98473	47.3
101.66212	1.8
105.07077	2.4
107.08613	6.0
109.10165	5.1
111.08052	3.2
111.11742	2.8
121.10165	8.2
133.33945	2.0
135.11664	3.6
137.00015	4.5
137.13145	2.0
155.01038	47.4
162.12822	2.0
171.11847	2.0
193.02557	3.1
200.27132	1.9
219.21222	2.4
229.04843	2.8
237.22070	11.5
311.25818	100.0
312.26062	5.0
370.74841	2.2
396.42557	2.0
447.24881	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	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03952	7.1
55.01883	7.0
55.05514	36.8
56.05839	1.1
57.03441	22.2
57.07072	2.9
59.05005	1.8
65.03939	6.2
67.05508	100.0
68.05833	2.6
69.03430	7.0
69.06686	1.3
69.07070	26.3
71.01359	6.5
71.04994	10.7
79.05496	90.3
80.05823	2.3
80.24562	0.8
81.03421	74.0
81.07059	70.6
82.07393	2.9
83.04984	26.3
83.08621	31.2
85.02908	34.3
85.06556	5.3
87.72743	0.9
91.05485	73.2
92.05822	2.0
92.88694	0.8
93.07047	87.5
94.07398	2.7
95.04972	49.1
95.08607	26.7
96.05286	1.1
97.02895	3.5
97.06529	20.7
97.09614	1.6
97.10181	16.4
98.22556	1.8
99.04469	0.9
99.08097	4.0
103.05467	1.0
104.80048	0.9
105.04530	3.6
105.07034	38.5
106.07368	1.1
107.04969	9.6
107.08599	53.7
108.08935	1.8
109.06523	9.6
109.10151	15.2
111.04443	3.6
111.08097	18.0
113.06001	3.0
115.05462	3.0
117.07030	10.8
119.04935	0.8
119.06075	1.2
119.08587	34.4
120.08955	1.8
121.06490	7.8
121.10151	20.9
123.08082	3.7
123.11712	2.8
125.09614	5.2
126.02223	8.7
128.06165	1.3
129.07004	14.0
131.08575	16.9
133.06519	3.3
133.10133	21.0
133.11061	1.7
134.10507	2.6
135.08075	3.6
135.11699	58.8
136.12033	3.2
137.09625	4.1
142.07802	4.0
143.08565	2.4
145.06464	1.0
145.10118	16.9
146.10483	1.3
147.08018	5.3
147.11685	21.7
148.12025	1.3
149.09627	7.5
149.13266	2.5
151.11209	2.8
153.12791	2.2
157.10124	17.0
159.10526	0.9
159.11649	4.3
160.12022	1.0
161.09665	1.4
161.13304	1.6
163.11186	12.4
165.12749	5.6
169.10188	1.7
173.11749	1.1
173.13252	2.2
175.11179	19.6
176.15230	1.4
181.12224	10.9
187.11253	1.2
189.11218	1.2
191.14255	1.1
193.12247	70.9
194.12617	2.1
199.13344	1.7
201.16290	1.7
202.16702	1.7
203.10574	1.1
205.12306	1.6
207.06342	1.0
208.11774	1.2
211.13295	71.7
212.13647	3.8
215.17857	1.3
216.18283	1.1
219.13712	1.2
221.15158	1.2
223.05942	1.6
223.13358	2.0
229.14447	1.5
237.47543	1.1
249.14990	2.1
253.14285	1.1
255.15977	7.4
267.15958	9.3
285.16766	1.4
293.17444	1.0
322.26245	1.3
329.21143	3.6
339.26913	1.0
340.27164	3.5
355.22678	2.2
373.23746	5.1
383.04626	1.0
421.25870	1.2
447.27502	7.9
448.28015	1.0
465.28528	80.1
466.28949	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	466.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
56.84912	0.3
57.96702	0.3
62.16748	0.2
62.92491	0.3
69.55979	0.2
69.58226	0.2
91.05489	2.2
93.07042	1.4
95.04935	0.7
100.11289	0.4
103.05491	2.1
107.04937	0.6
119.04898	0.5
121.06514	6.9
122.03619	0.9
135.04433	0.3
137.04999	0.4
137.05989	6.2
141.06976	0.3
142.07855	0.4
145.02895	0.3
146.43143	0.3
147.04381	0.6
149.51176	0.3
151.07552	0.4
152.05090	0.4
152.06210	3.2
153.00827	0.3
153.01845	3.1
153.02933	0.5
153.05701	0.5
153.06995	6.2
154.36200	0.3
155.08568	0.3
159.36559	0.3
163.05443	0.3
164.06932	0.4
165.06978	1.1
167.07002	1.1
167.08279	0.3
168.05635	0.7
169.06499	1.4
170.07245	1.3
177.05418	0.6
180.05743	2.4
181.06493	12.5
182.07199	1.5
183.04402	1.2
183.07956	1.0
187.07515	0.6
187.29066	0.3
187.65788	0.3
194.03717	0.4
195.04462	0.3
195.08096	0.6
196.05154	0.9
197.05991	2.3
198.06763	6.2
199.07541	0.6
208.05203	1.4
209.06000	7.2
210.06662	1.1
211.03929	0.7
211.07520	2.2
212.04753	0.5
212.08380	0.7
213.05313	0.4
213.09093	4.4
215.07005	1.2
223.03960	0.4
223.07555	0.6
224.04678	0.4
225.05463	1.4
226.06267	7.1
227.06995	2.7
228.07530	0.4
229.08537	0.5
237.05522	2.1
238.06224	0.4
239.03442	0.7
239.06903	1.3
240.07835	1.4
241.08609	13.3
242.08972	0.9
243.06538	3.2
253.04968	0.6
254.05751	4.2
255.06493	2.4
258.08978	1.7
268.07288	0.6
269.08102	23.1
270.08710	3.1
271.06046	8.2
271.09155	0.5
273.11215	3.9
285.07455	0.4
286.08395	4.8
287.08585	0.4
288.09921	3.2
297.07703	1.6
301.10718	100.0
302.11072	5.3
302.14279	0.5
303.12274	1.3
329.10202	18.1
330.10507	1.0
334.45517	0.3
466.18671	10.2
467.19034	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.0
57.03448	4.4
69.03432	17.2
73.02934	3.1
79.01878	3.9
79.05511	7.5
81.07063	100.0
82.07368	2.5
85.02905	15.9
87.04462	11.4
95.08609	6.6
97.02895	18.1
115.03926	22.8
119.14674	1.4
121.06505	2.7
127.03946	5.5
133.04984	28.5
137.05977	2.4
137.13258	27.1
139.03917	2.3
143.03427	4.1
145.04968	3.8
150.07663	2.3
153.01840	57.6
163.06062	3.5
181.06685	1.9
182.64420	1.6
231.80930	1.7
259.08228	2.5
269.08054	3.6
295.10394	4.0
301.10675	15.6
309.13354	2.1
329.10242	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.5
57.71018	2.0
60.19089	2.7
64.05260	2.5
64.42462	2.2
67.05509	5.2
69.03423	15.3
69.07062	3.0
69.36813	4.5
69.37214	12.1
70.85525	2.6
74.07217	2.3
75.65440	2.3
79.05510	10.2
81.07062	100.0
82.66492	2.3
85.02914	8.6
87.04479	8.5
94.07468	2.8
95.08627	15.3
97.02892	12.9
98.22684	3.6
101.68629	2.2
109.10160	2.7
115.03921	16.9
133.04967	23.8
137.13264	24.3
145.04932	3.2
153.01851	6.4
269.17477	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03438	22.8
57.07082	2.9
59.04980	3.5
61.02932	4.4
63.07774	2.3
67.05506	6.8
69.03435	55.8
69.07069	16.3
69.08234	19.9
69.08564	4.7
71.04979	3.5
72.42651	2.2
73.02932	10.5
79.05490	11.0
81.03417	3.4
81.07060	100.0
83.04972	7.4
83.08627	3.0
85.02908	50.2
85.86462	2.1
87.04469	33.2
91.03987	3.0
91.05476	4.0
93.07047	9.6
95.05000	3.7
95.08611	25.5
97.02890	43.6
105.07034	8.6
107.08579	8.6
109.06489	2.8
109.10153	5.0
111.08083	2.6
115.03940	59.0
119.08640	4.2
121.10143	4.7
123.08121	2.7
123.11718	6.6
127.03928	11.0
133.04974	59.3
133.10114	2.6
135.08022	2.6
135.11700	4.2
137.13264	34.3
145.04962	10.1
145.10091	2.5
147.06593	3.0
147.08037	3.0
147.11702	5.4
149.13251	7.0
150.07613	10.6
153.01862	4.6
155.14293	3.4
159.11742	4.3
161.13199	2.3
163.06053	6.3
173.08107	5.7
179.14317	3.9
187.14717	2.6
189.84236	2.6
233.15256	2.7
259.08154	4.0
269.17441	4.6
453.78839	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	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02378	1.0
53.00324	0.3
53.03955	0.4
54.70342	0.2
55.01868	0.3
55.99344	0.2
68.98425	1.7
68.99792	0.2
69.03434	1.8
69.67915	0.2
79.01855	6.7
81.03423	1.9
87.00838	0.2
87.14752	0.2
88.11256	0.2
97.02898	4.3
99.04526	0.2
107.01314	2.2
109.02206	0.2
109.02898	1.8
109.74208	0.2
121.06493	0.5
125.02351	3.9
127.03918	3.2
143.03406	7.1
145.99254	0.2
151.03957	0.2
153.01833	100.0
153.02896	5.8
154.02145	2.1
154.03285	0.3
158.01251	0.2
162.17160	0.2
163.03821	0.3
171.02899	3.8
189.55730	0.2
191.03444	0.6
205.04810	0.2
207.02919	0.3
219.77614	0.2
233.04414	0.4
237.03979	0.6
248.21869	0.2
297.06012	2.1
327.44882	0.2
335.52530	0.2
429.75427	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	467.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02380	0.9
51.49378	0.1
53.00324	0.2
53.03900	0.2
68.72887	0.2
69.03437	2.4
70.33729	0.5
72.98526	0.1
74.70309	0.1
79.01859	5.6
81.03427	0.7
90.56249	0.2
91.61233	0.1
97.02907	1.2
99.04444	0.2
107.01336	1.2
109.02894	0.5
110.50286	0.2
123.00793	0.2
125.02344	3.2
127.03925	4.0
143.02280	0.3
143.03412	6.9
153.01843	100.0
153.02910	5.9
154.02164	2.4
154.03328	0.2
163.04019	0.1
171.02884	0.3
191.03413	0.3
195.02879	0.4
205.04909	0.2
213.03951	0.5
233.04665	0.3
237.03935	1.1
261.04028	0.2
279.05011	0.7
297.06006	1.0
312.88242	0.2
449.07056	0.5
467.08282	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	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02377	0.8
53.00318	0.2
53.03958	0.1
55.01878	0.3
55.05507	0.2
67.36099	0.1
68.99778	0.1
69.03095	0.2
69.03438	3.1
73.59086	0.1
79.01859	6.0
80.02222	0.1
81.03422	1.0
83.08636	0.2
87.00875	0.1
91.05498	0.1
97.02905	1.4
98.23473	0.2
100.11266	0.6
107.01321	1.3
109.02884	0.5
121.06450	0.1
123.00804	0.3
123.04453	0.2
125.02355	3.0
127.03928	5.2
128.04259	0.1
139.03888	0.2
143.03404	7.1
144.03729	0.1
145.02873	0.1
151.03926	0.2
153.01837	100.0
153.02867	5.1
154.02164	2.5
154.03339	0.1
163.03963	0.2
171.02885	0.4
179.03423	0.1
182.15425	0.3
191.03394	0.4
195.02881	0.3
196.65692	0.1
207.02994	0.1
210.14954	0.1
213.03947	0.6
229.61000	0.1
237.03926	0.6
240.75122	0.1
261.03909	0.2
269.18845	0.1
279.04950	0.6
297.06064	0.7
301.10770	0.1
302.11060	0.1
303.05029	0.3
304.05368	0.3
305.05582	0.4
305.13727	0.2
449.07071	0.3
449.35110	0.1
467.08652	0.5
467.17422	0.4
467.22418	0.7
467.35776	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	467.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02386	0.9
53.03944	0.3
55.01871	0.4
58.68046	0.2
68.97334	0.2
69.03429	1.9
70.33974	0.2
70.81616	0.3
71.05019	0.2
75.20013	0.2
79.01402	0.4
79.01857	7.1
81.03419	1.9
85.02914	0.4
92.95987	0.2
97.02905	3.8
107.01331	2.1
108.65276	0.2
109.02878	1.5
125.02348	3.6
127.03913	3.2
135.04420	0.3
137.02354	1.2
143.03410	7.7
151.38484	0.2
153.01834	100.0
153.02908	6.6
154.02150	2.3
168.12674	0.2
171.02895	2.5
179.03505	0.2
191.03381	0.5
209.04407	0.2
237.03990	0.7
255.05020	0.3
261.04025	0.2
261.07520	0.6
279.05069	0.3
297.06076	1.6
449.06921	0.3
467.08200	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	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02380	0.8
53.90808	0.1
55.01865	0.3
57.17564	0.1
58.62896	0.1
61.93902	0.1
65.60011	0.1
69.03444	0.9
70.44296	0.3
79.01862	6.6
81.03417	1.0
87.00835	0.1
97.02895	1.3
99.04487	0.2
107.01324	1.6
109.02870	0.8
121.25008	0.2
123.00775	0.4
125.02361	2.9
127.03929	1.7
143.02275	0.3
143.03406	6.6
144.03706	0.3
153.01839	100.0
153.02907	6.2
154.02168	2.8
154.03366	0.1
160.33852	0.1
163.04001	0.3
164.78526	0.1
169.68460	0.2
191.03432	0.6
209.04575	0.2
233.04419	0.3
237.03912	1.8
261.04037	0.3
279.04968	0.5
297.06036	1.0
341.13120	0.2
449.07227	1.4
450.07236	0.2
472.01233	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	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02382	0.8
55.01882	0.2
60.01574	0.1
69.02048	0.4
69.02464	0.9
69.03430	2.5
79.01858	6.1
81.03425	0.8
87.00842	0.2
93.89050	0.2
97.02883	1.2
107.01321	1.4
109.02878	0.6
123.00825	0.3
125.02351	2.8
127.03921	4.2
131.41728	0.1
143.02269	0.3
143.03401	7.0
153.01834	100.0
153.02901	6.1
154.02158	2.2
154.03384	0.2
163.03888	0.2
163.86682	0.1
171.02905	0.4
179.03397	0.1
186.99356	0.1
191.03444	0.4
195.02902	0.3
209.04428	0.1
213.03908	0.4
221.04425	0.1
233.04501	0.2
237.03935	1.0
261.04034	0.3
279.05060	0.4
297.06116	0.8
304.05429	0.2
305.05542	0.7
449.06909	0.7
467.08374	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	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
50.18299	0.2
51.02385	0.9
53.00299	0.2
53.03963	0.1
55.01872	0.3
55.72177	0.2
57.03434	0.1
64.70023	0.2
69.03436	2.1
70.73684	0.2
70.74010	0.2
79.01856	5.9
81.03428	1.1
87.00803	0.3
87.88618	0.2
94.92996	0.2
97.02892	1.7
107.01323	1.4
109.02921	0.8
121.06535	0.2
123.00745	0.2
125.02356	2.8
127.03923	3.5
143.03406	7.0
144.03658	0.2
153.01837	100.0
153.02913	6.5
154.02156	2.6
154.03397	0.2
161.02965	0.3
168.21605	0.2
171.02867	0.9
171.10876	0.2
179.03357	0.2
191.03389	0.4
195.02911	0.5
213.04041	0.4
215.10028	0.5
233.04384	0.2
233.10916	0.2
237.03911	0.7
261.04022	0.2
279.04895	0.5
297.06012	1.0
303.04910	0.2
304.05344	0.2
305.05515	0.9
316.80093	0.2
392.80533	0.2
392.87280	0.2
449.07129	0.3
467.08231	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	467.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02374	1.0
53.03943	0.2
55.01876	0.3
55.85613	0.2
69.03436	2.6
69.94669	0.5
75.43437	0.2
79.01856	5.9
81.03428	0.7
81.15020	0.2
87.00836	0.3
97.02889	1.3
107.01328	1.2
109.02886	0.5
123.00802	0.3
124.42736	0.1
125.02353	3.1
127.03924	4.6
130.31041	0.2
137.02354	0.2
143.03398	6.9
153.01836	100.0
153.02892	5.5
154.02159	2.0
171.02916	0.5
191.03394	0.3
195.02910	0.4
213.03920	0.6
233.04393	0.2
237.03981	0.7
261.04004	0.2
279.05002	0.5
297.06094	0.6
449.07242	0.7
467.08191	0.6
467.18637	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	467.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02374	1.0
53.00326	0.2
53.70530	0.1
55.01881	0.3
55.05544	0.1
68.99766	0.2
69.03433	1.0
69.65225	0.4
70.06559	0.1
72.08167	0.2
79.01855	6.3
81.03428	1.0
85.02892	0.3
87.00808	0.2
91.05477	0.2
95.04942	0.2
95.08569	0.1
97.02900	1.4
107.01321	1.5
109.02886	0.9
110.07172	0.2
118.82052	0.2
119.04939	0.2
120.07203	0.1
123.00813	0.4
123.04434	0.4
125.02356	3.1
127.03928	2.0
143.03404	6.9
145.02870	0.5
147.04408	0.6
153.01833	100.0
153.02876	5.6
154.02159	2.2
155.82628	0.1
163.03926	0.3
171.02979	0.1
177.05470	0.4
191.03384	0.6
195.02728	0.2
204.10220	0.3
209.04486	0.2
237.03928	1.7
261.03915	0.3
279.04944	0.4
292.20230	0.2
297.06067	0.7
303.04984	0.4
333.33212	0.1
395.19412	0.1
412.67163	0.1
449.07086	1.2
452.26990	0.1
467.09256	0.5
467.22827	0.9
468.25266	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	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02377	0.8
53.00318	0.2
53.03958	0.1
55.01878	0.3
55.05507	0.2
67.36099	0.1
68.99778	0.1
69.03095	0.2
69.03438	3.1
73.59086	0.1
79.01859	6.0
80.02222	0.1
81.03422	1.0
83.08636	0.2
87.00875	0.1
91.05498	0.1
97.02905	1.4
98.23473	0.2
100.11266	0.6
107.01321	1.3
109.02884	0.5
121.06450	0.1
123.00804	0.3
123.04453	0.2
125.02355	3.0
127.03928	5.2
128.04259	0.1
139.03888	0.2
143.03404	7.1
144.03729	0.1
145.02873	0.1
151.03926	0.2
153.01837	100.0
153.02867	5.1
154.02164	2.5
154.03339	0.1
163.03963	0.2
171.02885	0.4
179.03423	0.1
182.15425	0.3
191.03394	0.4
195.02881	0.3
196.65692	0.1
207.02994	0.1
210.14954	0.1
213.03947	0.6
229.61000	0.1
237.03926	0.6
240.75122	0.1
261.03909	0.2
269.18845	0.1
279.04950	0.6
297.06064	0.7
301.10770	0.1
302.11060	0.1
303.05029	0.3
304.05368	0.3
305.05582	0.4
305.13727	0.2
449.07071	0.3
449.35110	0.1
467.08652	0.5
467.17422	0.4
467.22418	0.7
467.35776	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	467.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02382	0.8
53.03946	0.4
53.09537	0.1
53.81805	0.1
55.01868	0.4
55.05499	0.2
58.05177	0.1
61.90384	0.2
67.05497	0.7
68.99767	0.2
69.03443	1.4
69.07045	0.2
71.04976	0.3
71.91345	0.1
79.01405	0.4
79.01862	6.7
79.05507	0.2
81.03426	1.4
81.07047	0.8
91.05497	0.4
93.07066	0.4
97.02898	2.4
98.23354	0.5
99.04437	0.4
105.07070	0.3
107.01344	1.8
107.08586	0.2
109.02866	1.2
109.10178	0.2
119.08600	0.3
121.06528	0.3
121.10136	0.2
123.00806	0.2
125.02361	3.3
126.69209	0.2
127.03932	1.5
143.03407	8.2
144.03801	0.2
145.10098	0.2
151.11247	0.2
153.01842	100.0
153.02917	6.5
154.02180	2.4
170.38191	0.2
171.02945	1.3
176.63358	0.2
179.03572	0.2
191.03491	0.3
202.47339	0.2
209.04462	0.2
225.77826	0.2
237.03934	0.2
297.06055	1.7
467.08667	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	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02373	0.9
52.75517	0.1
53.03928	0.1
55.01863	0.3
62.28904	0.1
64.12934	0.1
67.05515	0.1
68.99795	0.2
69.03429	1.5
69.99574	0.4
70.21555	0.1
70.30549	0.1
72.08148	0.1
79.01852	6.8
80.02193	0.1
81.03421	1.0
81.07072	0.2
85.02922	0.2
87.00819	0.2
95.01302	0.1
97.02890	1.3
102.43060	0.1
107.01306	1.6
107.04941	0.2
109.02872	0.9
114.74670	0.1
119.05006	0.2
121.06495	0.1
122.02732	0.1
123.00738	0.2
125.02341	3.2
127.03911	2.5
128.04213	0.1
128.09598	0.1
137.05956	0.2
143.03397	7.2
144.03734	0.2
145.02838	0.2
147.04419	0.3
151.03935	0.1
153.01826	100.0
153.02884	6.1
154.02153	2.3
154.03383	0.2
154.08577	0.2
159.04460	0.1
163.03926	0.4
168.19109	0.1
171.02849	0.2
177.05464	0.3
191.03423	0.6
195.02887	0.2
209.04454	0.1
213.03955	0.3
221.04399	0.1
233.04401	0.3
237.03943	1.4
260.79214	0.1
261.03943	0.3
279.05063	0.6
297.06015	0.6
303.04883	0.2
304.05325	0.2
305.05814	0.2
305.13528	0.1
329.17438	0.2
423.19608	0.1
449.07190	0.9
450.07086	0.1
467.08456	0.3
467.19028	1.3
468.12991	0.1
468.19418	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	467.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
51.42968	0.3
55.01870	1.0
55.05513	1.1
57.80756	0.3
64.04410	0.4
65.03934	1.2
67.05492	1.2
68.99789	1.2
69.03423	0.7
69.42112	2.0
79.01861	1.9
79.05503	0.5
81.03418	0.6
81.07050	2.9
82.07381	0.5
83.04977	1.5
83.08617	0.7
85.02917	0.8
89.03923	1.8
90.04475	0.3
91.05486	0.8
93.03410	0.8
93.07033	0.8
95.05014	0.5
95.08621	0.5
96.23422	0.4
97.02900	1.3
97.21605	0.3
98.22635	0.6
100.11249	1.5
104.37560	0.3
105.03386	0.4
105.07059	0.4
107.08619	0.5
107.12948	0.4
109.02893	0.5
111.04453	5.2
114.09181	1.3
115.03962	0.4
117.03387	5.1
119.04947	0.5
123.04433	21.3
124.04769	0.6
125.02354	0.8
127.03922	0.9
133.04959	0.3
134.03676	0.4
134.06029	0.5
135.04387	0.8
137.06055	0.4
137.13248	0.6
139.03906	100.0
140.04225	2.6
142.08652	1.2
143.03485	1.8
145.02852	10.0
145.04810	0.4
147.04448	2.2
149.06006	1.9
151.03894	2.4
153.01837	26.1
153.02914	1.6
154.02174	1.1
161.05960	0.5
163.04004	0.5
177.05470	17.8
178.05753	0.5
182.15446	1.8
189.05545	0.5
204.10204	0.6
210.14926	1.8
231.06685	0.6
258.21735	0.7
266.09494	0.4
273.07593	3.9
305.13605	1.6
305.17365	1.1
309.25446	0.4
326.28033	0.6
368.25641	0.5
436.31732	0.5
467.22321	1.8
467.36032	1.7
468.24646	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	467.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.6
51.02402	1.1
53.03961	1.7
55.01880	0.9
55.05534	1.8
57.03454	1.3
67.05530	1.8
68.99817	0.6
69.03446	2.8
69.19243	3.7
70.06590	0.7
72.04820	0.5
75.04496	0.9
77.03960	0.5
79.01859	4.3
79.05502	4.6
81.03420	4.1
81.07066	1.4
83.01363	0.8
85.02898	2.6
89.96110	0.5
91.05482	3.8
93.07049	18.6
95.04970	2.7
95.08638	1.9
96.25176	0.5
97.02904	2.8
99.04467	0.6
99.13004	0.5
103.03956	1.6
105.07032	2.9
107.01338	1.2
107.04980	1.0
107.08598	3.3
109.02884	2.0
109.10182	2.0
111.04477	0.5
111.08093	0.7
119.08598	2.4
119.76936	0.5
121.06523	1.0
121.10150	16.6
122.06026	1.0
123.04431	2.7
123.08126	0.7
125.02339	3.8
126.03149	1.5
127.03941	2.1
131.04941	1.0
131.08597	0.8
135.08057	0.7
139.03984	0.8
141.05481	1.8
143.03365	5.3
147.04404	1.9
149.02371	2.1
149.09619	5.1
150.03142	1.0
151.03923	3.8
153.01837	74.1
153.02922	4.6
154.02615	5.4
157.04909	0.8
159.04437	1.2
163.03912	1.9
167.10672	1.7
169.04968	100.0
170.05286	3.3
171.02911	1.0
177.05495	2.1
177.51529	0.5
178.02484	1.0
181.04918	2.8
183.02916	0.8
183.06496	2.9
189.05426	0.7
191.06982	1.0
192.04164	1.2
193.04976	18.4
194.05440	0.6
195.06558	1.2
199.05954	1.2
205.04878	0.8
207.06534	10.2
209.04424	1.0
209.08076	7.0
209.11264	0.5
210.72594	0.5
211.06013	1.5
219.06541	1.1
221.08006	1.0
223.05988	2.6
233.04297	0.6
233.08087	0.9
235.06039	3.9
247.06071	4.1
249.07515	1.2
249.11183	0.7
251.12755	1.6
259.05859	1.2
265.07007	1.2
277.06927	1.7
277.14407	3.5
280.88635	0.6
281.13901	1.0
287.12637	0.9
295.07974	0.8
297.05795	0.7
305.13840	5.2
449.17773	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	467.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93101	0.2
56.96568	21.5
56.96846	0.8
67.05470	0.5
70.03255	0.7
71.95269	3.0
72.96053	2.0
74.97604	0.3
79.01838	0.4
81.03378	0.3
81.07041	0.5
84.96006	0.7
91.05459	0.3
93.07056	0.4
97.96812	0.4
98.22675	0.3
105.00164	0.4
107.01330	0.2
109.10117	0.3
110.97593	1.0
115.00704	0.4
115.20570	0.2
123.01224	0.3
127.03882	0.3
128.98586	1.0
137.02715	1.1
141.02222	0.4
143.03365	0.6
146.99669	0.4
151.04260	0.4
153.01833	7.7
153.02966	0.5
155.03754	0.9
156.72766	0.3
169.05348	0.8
179.07385	0.6
195.06956	0.4
197.08498	0.7
199.06470	0.2
207.10390	0.3
211.06537	0.3
217.07622	0.4
223.10023	2.8
229.07430	0.6
235.10016	3.6
236.10371	0.4
241.11119	33.5
242.11327	1.1
243.09314	0.3
247.08633	0.3
251.09534	0.4
253.11116	61.4
254.11456	2.7
259.12177	40.3
260.12549	1.7
261.12585	0.3
264.12802	1.4
269.10593	0.6
271.12167	100.0
272.12509	4.3
276.12827	1.1
277.13248	0.4
282.13794	1.2
287.11508	0.2
287.21890	0.4
289.13217	4.4
290.13654	0.4
294.13736	7.6
295.13992	0.4
329.99020	0.2
333.17535	0.2
338.93054	0.2
348.43494	0.3
351.79471	0.2
369.19531	0.9
387.20505	0.4
462.40063	0.2
467.26822	9.8
468.27124	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19054	2.0
54.88733	1.7
55.05513	12.6
57.07083	33.5
59.05012	5.1
65.03943	3.5
67.05510	100.0
68.05838	2.1
69.07074	10.1
71.04983	4.0
71.08634	26.4
79.05492	3.9
81.07066	29.4
83.08626	21.2
85.06531	3.9
85.10184	13.2
89.06036	3.5
91.05486	4.5
92.63437	2.0
93.07050	2.7
95.08611	24.3
95.16467	1.9
97.10175	6.3
99.08117	1.8
99.11749	2.2
109.10156	88.2
111.08091	4.1
116.35530	1.9
119.08610	5.9
123.11719	6.4
125.85861	2.1
137.09686	4.2
137.13275	2.6
139.80573	1.9
153.01862	2.4
155.07092	2.6
155.10722	5.5
173.11749	32.6
223.11809	1.8
239.23691	10.7
278.03674	1.8
379.35980	3.0
442.81421	1.9
467.37357	92.2
468.37619	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	468.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	29.0
69.03439	45.9
69.51467	32.9
69.51855	27.2
79.05506	38.9
81.03418	31.5
81.07072	30.9
91.05495	50.2
93.07036	95.2
95.08624	15.0
97.02872	29.4
98.23330	23.2
100.77739	14.6
105.07035	28.2
107.08593	18.2
109.10150	23.0
117.89783	15.3
121.10149	94.0
131.08577	40.1
131.76421	14.5
147.04402	16.9
149.09653	100.0
153.01852	76.3
154.02170	34.9
167.10733	19.8
167.29955	13.0
293.13846	25.0
319.09375	15.3
468.24347	18.7
493.28940	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40462	1.1
55.05509	1.9
60.79949	1.3
61.02931	1.2
67.05516	2.1
69.03437	1.5
69.07084	2.7
70.33076	1.1
71.05000	2.1
72.08158	10.5
76.12578	1.1
79.05479	5.7
80.05988	1.1
80.06467	1.2
81.07076	8.2
83.04989	3.7
84.56226	1.1
85.02908	3.3
85.06541	2.2
86.09714	3.1
89.03931	5.3
91.05480	11.3
93.07041	10.4
95.04926	3.0
95.08620	5.7
97.06539	8.9
97.97041	1.2
99.04491	2.6
104.10761	5.2
105.07038	8.4
107.04984	1.4
107.08574	6.1
109.06518	6.4
111.08109	3.7
112.11261	3.6
113.06082	1.5
117.03384	17.5
119.04947	17.5
119.08600	3.7
121.06513	21.5
121.10156	1.8
123.08055	2.0
123.11720	1.8
125.00001	2.2
125.05969	4.2
127.07555	4.1
127.12547	1.1
129.13876	2.7
133.10150	4.6
134.03650	1.5
135.04399	1.7
135.08072	3.4
139.07536	5.8
143.07063	2.0
143.08563	2.1
145.02846	59.3
146.03136	2.0
146.16617	1.4
147.04411	92.9
147.08093	2.2
147.11676	11.7
148.04755	2.2
149.05986	6.7
153.01823	2.0
155.11771	2.4
157.08737	2.5
157.10146	5.0
161.13351	3.0
165.12770	4.7
169.12309	2.9
171.11725	4.6
172.14412	1.5
175.11192	8.7
177.05475	78.7
178.05849	1.8
181.10162	1.6
184.07408	5.0
189.12764	6.8
193.12297	7.1
199.11165	8.6
203.11691	1.3
204.10214	57.4
205.10623	1.5
207.13855	4.0
211.13258	8.2
213.61125	1.3
217.12267	22.6
229.14349	3.2
234.11249	22.0
235.11159	2.3
235.13324	30.8
236.13846	1.6
248.12907	4.2
253.14330	37.8
254.14601	1.8
271.15427	4.1
275.17508	2.2
289.16510	4.4
292.20187	10.9
299.88620	1.3
304.05371	3.2
304.20209	1.6
305.05630	4.0
305.18759	1.8
306.05853	5.6
322.21292	9.9
344.21130	1.2
451.21893	3.3
468.24973	100.0
469.25278	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	468.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
55.64681	0.9
56.05047	1.1
58.06605	1.3
62.01630	0.8
63.46852	0.7
67.05511	0.9
70.06607	1.7
72.08161	13.4
75.09253	0.8
79.05492	0.8
79.85635	0.9
80.05024	12.5
81.07066	2.8
83.08619	1.3
83.84963	0.8
84.08163	1.7
85.02941	0.9
85.06565	1.0
86.09715	1.3
89.03940	5.3
91.05485	8.8
93.07041	1.1
95.04978	6.7
97.02930	0.8
98.09685	2.3
100.11269	1.4
104.10754	1.7
106.34486	0.8
112.11248	4.4
113.06023	3.2
116.10744	1.7
117.03391	19.2
119.04952	19.2
119.05771	1.3
120.08131	2.7
121.06491	1.0
123.04442	1.8
125.00034	0.9
126.12833	0.7
127.03893	0.8
128.07082	1.1
129.13889	3.9
134.03642	1.0
135.04427	1.7
138.09132	5.9
141.05533	1.0
143.03496	0.8
145.02856	53.8
146.03186	1.1
146.16545	2.4
147.04419	89.8
148.04739	2.6
148.07603	2.2
149.05994	5.8
153.01854	10.3
154.02170	4.3
155.11792	1.8
155.48926	0.8
156.10182	3.4
163.03918	4.0
166.08688	2.3
177.05479	67.0
178.05859	2.1
182.15503	1.4
184.07353	2.0
184.09711	7.9
198.14952	1.9
202.10754	27.8
203.11644	1.0
204.10211	47.5
205.10605	1.9
210.14946	2.4
213.12656	0.9
218.11938	1.6
218.52075	0.7
221.12859	0.9
226.14528	1.4
234.11266	15.7
235.11496	1.1
248.12848	4.4
256.12216	0.7
275.17621	2.9
292.20227	11.5
304.05545	1.4
305.05725	0.9
305.18695	2.1
306.05960	1.2
307.15085	0.8
322.21298	11.3
323.21518	1.3
337.21167	1.4
339.45728	0.7
345.40451	0.8
354.24023	2.1
450.24054	1.1
451.22287	1.4
452.31232	1.5
468.24991	100.0
469.20212	2.7
469.25204	7.8
469.33038	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	468.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
54.61793	0.5
55.05513	1.2
57.03431	1.4
64.84388	0.5
65.03932	1.3
67.05528	0.7
69.03432	1.5
69.07065	1.1
71.04985	0.9
71.28474	0.8
72.08159	43.4
73.02907	2.1
73.08443	0.7
76.99348	0.5
79.01846	2.8
79.05480	1.9
80.02190	1.2
81.03429	0.6
81.07061	7.1
81.91451	0.5
83.08638	2.6
84.08147	0.7
85.02887	1.8
88.58556	0.5
89.03921	3.2
89.10802	4.3
91.05487	10.3
93.07033	2.0
95.08611	0.7
97.02927	2.6
97.06532	0.5
98.03279	0.5
98.06043	1.0
106.44456	0.5
107.04977	0.8
107.08566	0.5
107.84674	0.5
109.02832	0.7
109.10172	1.5
113.06041	0.7
115.03901	0.9
117.03369	5.7
119.04950	25.9
121.10170	3.7
123.00799	0.5
125.02339	1.6
126.11923	0.9
126.12798	13.7
127.03934	1.3
127.11156	0.9
135.04419	12.8
139.11177	11.8
140.11467	0.6
143.03391	2.9
143.15442	3.6
144.03740	1.1
145.02866	9.0
147.04411	87.1
148.04741	2.0
149.13277	0.7
153.01833	39.9
153.02904	2.3
154.02173	20.2
154.03252	0.8
155.02298	1.2
163.03909	64.3
164.04274	1.8
167.14352	1.3
169.13365	1.5
184.07347	0.7
218.11765	8.6
234.11250	11.1
235.14438	2.8
235.16576	0.6
251.13927	2.3
257.01135	1.0
271.15405	0.7
289.19089	8.0
305.18588	8.1
306.18481	0.5
306.21811	9.7
322.21222	7.3
332.19659	0.9
348.19400	0.8
366.05481	0.5
468.24966	100.0
469.13678	4.9
469.25421	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	468.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	1.1
63.02343	0.5
65.03937	1.1
72.08158	11.6
84.08138	1.2
89.03922	5.2
91.05486	7.7
91.21923	0.5
92.60480	0.4
97.02881	0.4
98.22623	1.7
108.61635	0.5
111.62839	0.5
112.11226	4.1
117.03386	19.4
119.04950	18.1
129.13895	3.3
133.98871	0.5
134.03600	0.7
135.04401	1.2
145.02855	54.8
146.03203	1.7
146.16498	1.8
147.04413	100.0
148.04765	2.9
149.05988	7.3
153.01837	1.9
155.11801	1.5
163.03893	1.5
172.14381	0.5
177.05476	78.9
177.29195	0.5
178.05838	2.4
182.15399	0.6
184.07414	0.6
186.05463	0.5
203.11884	1.4
204.10213	57.2
205.10532	1.9
210.14894	0.5
218.11758	1.3
221.12914	1.2
234.11255	15.7
235.11665	0.9
248.12856	6.2
274.19272	0.8
275.17499	3.0
292.20206	10.6
303.05023	1.7
304.05353	3.2
304.20190	0.9
305.05573	2.4
305.18652	1.6
306.05838	3.0
318.17941	0.9
322.21259	10.9
323.21664	0.6
450.24109	1.5
451.22311	2.3
468.24973	99.5
469.25320	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	468.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.4
60.08150	0.8
62.87957	0.5
63.02367	0.7
65.03930	1.4
69.18367	1.9
69.18792	1.7
70.97430	0.5
71.07378	0.6
72.08161	18.9
74.08418	0.6
75.09238	1.4
79.99111	0.6
81.35316	0.5
84.08135	1.5
86.09704	6.1
89.03926	8.1
90.04247	0.6
91.05487	8.7
104.10740	0.6
112.11237	6.5
117.03385	26.0
117.04230	1.3
118.03695	0.9
119.04953	20.4
125.00019	3.1
126.12756	1.1
129.13872	6.0
134.03630	1.0
135.04411	1.6
145.02858	66.4
145.41353	0.5
146.03172	2.0
146.16550	3.9
147.04414	85.2
148.04820	2.7
149.05983	8.1
153.01836	1.7
155.11780	2.2
158.06065	0.6
163.03928	3.5
172.14363	1.3
177.05479	75.5
178.05865	3.1
184.07367	16.2
186.05435	0.7
203.11839	0.9
204.10208	34.8
205.10489	1.2
218.11823	4.0
221.12856	0.9
222.82887	0.6
233.12788	0.6
234.11269	25.0
235.11633	1.3
248.12840	3.0
274.19131	0.6
275.17526	3.7
292.20227	17.5
293.20538	0.6
304.20093	0.6
305.18634	2.5
306.21747	0.6
318.18341	1.0
322.21255	11.7
322.24799	1.2
323.21667	1.1
386.05188	0.6
450.24200	1.4
451.22763	1.2
468.24976	100.0
469.25394	9.8
469.31549	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	468.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.4
51.02359	0.8
55.01872	0.7
61.02924	1.1
69.03445	3.2
69.07069	0.6
71.04988	1.3
78.58152	0.5
79.01859	8.5
80.02186	3.1
81.03410	1.5
81.07053	1.4
83.04981	0.7
85.02900	1.0
87.04471	1.0
91.05534	0.5
92.31502	0.5
93.07027	1.0
95.04984	1.1
95.08592	1.0
97.02901	3.0
98.03243	0.6
105.05512	2.3
107.01308	2.1
107.08591	1.8
108.01672	0.5
109.02876	0.9
109.10163	2.2
113.06028	0.7
115.03941	0.5
121.10169	1.3
123.11766	0.9
125.02377	3.3
126.02655	1.1
127.03923	3.5
127.11219	4.0
128.04262	2.0
131.08574	0.7
137.02420	0.6
143.03403	8.0
144.03770	3.4
149.13300	1.7
153.01837	100.0
153.02919	6.3
154.02174	52.9
154.03249	2.5
155.02286	3.5
167.14323	4.2
171.02928	1.0
191.03328	0.8
217.15895	1.0
235.17006	0.9
238.04245	0.7
253.17937	1.4
271.18985	0.7
297.06116	1.0
298.06314	1.4
334.08990	0.9
347.41803	0.5
450.13089	0.5
468.16269	1.8
469.20316	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	468.3087
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05510	0.5
55.41501	0.3
56.05024	1.2
57.03439	0.4
57.07083	3.2
58.06606	1.2
59.07370	0.4
60.08165	16.4
60.41053	0.3
62.25073	0.3
64.29064	0.3
67.05501	1.0
68.34364	0.4
68.86025	0.3
69.07074	1.0
69.09726	2.1
71.07378	6.9
71.08640	2.1
75.74482	0.4
79.65917	0.4
81.07047	1.4
83.08608	0.4
85.10184	1.0
86.09708	49.0
87.10045	1.0
91.05466	0.5
95.08604	1.3
95.18318	0.3
98.98457	3.4
104.10744	100.0
105.11078	2.1
109.10124	0.8
111.81083	0.4
121.74751	0.3
125.00007	26.1
126.91245	0.3
143.01059	0.6
153.01855	0.8
154.02187	0.4
163.01506	0.6
177.05493	0.4
184.07344	96.3
185.07664	0.7
258.11063	1.0
285.24176	1.9
332.51511	0.3
391.22467	0.7
450.29828	8.3
451.30164	0.7
468.30850	22.7
469.31268	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	468.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.7
56.64641	1.6
57.03434	3.3
57.07080	21.6
60.41935	1.6
62.06089	24.8
67.05503	7.0
69.07069	8.2
71.08636	13.0
71.31174	2.2
72.21797	2.1
77.06967	1.5
81.07056	7.3
83.08624	5.6
85.10194	8.1
89.06040	6.2
89.14176	1.5
90.84502	1.5
95.08604	10.1
97.10172	5.0
98.98462	6.0
109.10168	5.4
111.11745	2.4
121.06499	1.5
123.11741	2.5
133.08661	2.0
153.01814	3.9
154.02174	3.8
155.01047	8.9
162.82310	1.5
175.90727	1.7
207.20834	1.6
216.06268	2.7
268.71527	1.8
296.29547	11.9
327.28922	100.0
328.29233	7.1
336.56009	1.7
407.25705	5.5
459.15564	1.8
468.32971	26.5
469.25375	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1696
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
55.28433	0.3
70.23840	0.8
79.01839	1.2
82.03965	0.5
83.01099	1.1
84.01882	0.6
88.11465	0.3
89.30051	0.4
94.24199	0.3
95.01105	2.1
96.01882	1.2
108.60163	0.4
111.00572	0.4
112.01331	1.3
113.02145	3.2
126.02867	0.7
128.41576	0.3
141.01529	0.4
143.03409	0.8
144.03687	0.4
153.01837	11.4
153.02884	0.6
154.02159	4.8
155.02278	4.1
157.04759	1.1
167.03186	0.5
185.04247	4.6
201.03668	1.7
202.04550	0.4
203.05238	0.5
217.04749	1.8
227.27174	0.4
232.07080	14.3
233.07582	0.9
243.08382	0.5
259.07886	3.0
275.08972	1.6
438.15073	3.5
439.15585	2.4
469.16821	100.0
470.17105	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	469.1684
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
53.03886	0.4
60.23194	0.4
65.83769	0.4
65.97977	0.4
69.75371	0.4
70.18896	0.7
70.19222	0.7
83.01075	1.4
93.35986	0.4
95.01054	2.5
96.01859	1.6
109.02804	0.5
109.47823	0.5
111.04253	0.5
112.01341	0.8
113.02148	3.6
123.04446	1.1
129.76974	0.5
139.03918	2.9
141.05255	0.5
143.03368	0.5
153.01823	6.3
154.02211	2.4
155.02271	2.0
157.04709	1.2
163.03877	1.0
177.05521	0.8
185.04227	5.9
201.03676	1.3
203.05275	1.5
218.89493	0.4
219.06406	0.5
232.07132	2.3
238.01555	0.5
259.07889	2.1
275.08841	0.5
289.17691	0.7
306.02643	0.5
307.15100	4.3
307.18460	1.1
317.06140	0.6
328.03214	0.6
369.18790	1.4
451.19000	1.4
469.16660	100.0
469.23743	15.5
470.16974	6.2
470.23120	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	469.2046
Annotation	Tyr Trp Thr
Peak:m/z	Relative Intensity
60.27419	0.4
60.35176	0.3
69.19741	2.7
69.77869	0.3
72.08852	0.3
84.49360	0.3
96.01860	0.4
119.08581	1.1
121.06533	0.4
137.09665	0.3
139.03899	2.1
147.04355	0.3
151.03976	0.4
153.01842	4.5
154.02126	2.0
155.02266	2.1
177.36189	0.3
185.04211	0.6
189.08977	0.3
203.05234	1.8
206.01956	0.4
217.08321	2.0
271.13013	2.3
289.14078	3.7
307.15250	3.0
337.06964	1.6
381.15192	0.7
383.13419	0.4
397.27673	0.5
425.21765	0.9
433.18707	0.5
448.40884	0.5
449.18091	0.4
451.19376	16.7
452.19699	1.3
469.20419	100.0
470.13980	0.4
470.20804	8.5
492.25159	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	469.2411
Annotation	CARDIVIN B
Peak:m/z	Relative Intensity
57.62374	0.3
60.09996	0.3
68.96429	0.3
70.06617	0.9
70.83908	0.6
72.08158	0.7
81.03390	0.3
86.23232	0.3
93.07052	0.4
117.03400	0.4
119.04906	0.4
120.08114	0.9
121.06497	1.2
145.02888	1.3
147.04402	1.7
148.04782	0.9
153.01913	2.2
153.02983	0.4
154.02229	1.1
155.02324	0.9
163.03911	0.6
163.11224	0.6
169.50467	0.4
177.05547	1.0
178.05971	0.6
185.09509	0.5
203.05211	2.1
204.10263	0.6
205.10641	0.5
213.32756	0.4
289.09427	0.7
289.17749	6.5
291.19278	0.6
307.09814	1.2
307.15305	1.0
307.18890	3.0
316.22781	0.4
399.05133	0.4
401.22104	0.4
411.20010	0.5
451.23462	0.7
469.24249	100.0
470.24554	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.1
55.01871	13.9
55.05519	23.3
57.03437	11.3
57.07075	6.9
61.02922	8.4
62.87003	3.1
67.05515	44.6
68.99791	12.7
69.01013	21.5
69.01433	9.5
69.03439	46.6
69.07068	28.3
69.71212	3.7
70.06597	7.1
71.04993	27.2
79.05508	31.9
81.03429	39.7
81.07063	100.0
83.04980	11.5
83.08620	10.8
85.02907	58.0
85.06518	3.4
87.00822	27.1
91.05485	28.9
93.07059	55.9
95.05006	19.6
95.08617	85.4
97.02906	24.7
97.06504	8.0
97.10167	8.5
98.23347	7.6
99.04453	9.0
99.08107	3.5
103.03949	8.5
105.01875	14.1
105.07037	68.9
107.04922	5.9
107.08608	57.2
107.36170	3.5
109.02886	18.2
109.06519	16.9
109.10167	57.1
111.04454	10.8
111.08148	4.2
115.03959	15.2
117.07026	15.6
119.08593	63.8
121.06496	11.9
121.10139	57.0
123.04436	13.2
123.08068	13.7
123.11720	28.4
125.09620	8.1
127.03919	23.6
127.11205	14.6
128.06219	6.4
129.01810	8.6
129.06998	12.5
131.08571	27.4
133.06517	6.0
133.10139	41.5
133.25653	3.7
135.08073	6.3
135.11711	35.5
137.09634	12.0
137.13277	15.5
139.11174	3.7
142.07794	9.5
143.08626	18.5
143.09560	3.9
144.09410	4.3
145.06491	4.8
145.10124	39.3
147.02942	6.7
147.08086	7.0
147.11708	35.3
149.09593	5.0
149.13226	21.7
153.12772	7.6
154.07846	4.3
155.08578	10.3
156.09308	3.9
157.10132	23.9
159.02888	6.7
159.08070	6.2
159.11694	42.4
161.09644	8.8
161.13330	17.6
163.11189	6.5
163.14783	4.5
169.10139	14.4
171.08231	3.3
171.11687	17.2
173.09688	4.8
173.13287	10.6
175.11205	6.0
175.14825	10.6
177.12737	8.2
177.16356	9.0
181.10162	5.2
183.11705	12.1
185.09654	5.1
185.13321	11.3
187.14833	9.7
189.04007	6.2
189.09123	5.7
189.16359	17.2
190.04497	3.4
191.14346	8.8
191.18040	4.2
193.10222	4.0
195.11739	6.5
197.13298	6.2
199.14900	4.3
201.04048	4.7
201.12706	8.5
201.16400	16.1
203.14272	5.4
203.18045	20.4
203.19785	3.4
207.11732	5.9
209.13258	6.0
213.16393	10.5
215.17953	4.4
219.17505	15.6
221.19092	12.7
225.12781	11.3
227.17924	4.6
231.17567	8.6
233.19061	5.2
241.15974	5.7
243.13757	4.5
243.17372	7.7
245.18999	7.6
257.18790	4.0
263.20151	5.0
269.18939	8.7
287.20084	5.9
293.19049	4.7
305.21112	4.8
311.20108	20.5
329.21033	17.1
347.22147	5.2
386.18710	3.9
415.21014	4.9
433.22095	9.4
451.23248	12.2
469.24554	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
63.15445	1.0
69.03423	2.8
69.34146	4.0
69.34564	2.4
79.01848	2.9
81.03426	7.9
85.02914	3.2
87.88527	0.8
97.02893	8.2
100.11260	1.3
107.01339	1.5
109.02876	5.1
112.89957	0.9
113.26682	0.9
125.02353	2.9
127.03921	6.5
143.03439	5.3
145.04979	1.9
150.16483	0.9
153.01831	100.0
154.02220	4.4
155.02255	1.0
171.02901	9.4
185.10167	1.0
201.69760	0.8
216.56149	0.9
297.06033	10.4
315.07184	6.0
470.13620	11.4
470.20007	2.2
471.22552	1.4
494.44205	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	470.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99659	0.6
51.15614	0.7
53.03945	1.1
53.44538	0.7
60.28162	0.6
64.13351	0.7
69.03430	4.8
69.07058	0.7
69.75777	3.2
79.01844	3.0
81.03422	6.6
85.02916	3.5
96.92860	0.6
97.02901	4.9
98.23174	0.9
99.04480	1.0
100.11292	0.8
107.01324	1.2
109.02886	5.0
121.06466	1.2
122.20913	0.7
125.02328	3.1
127.03924	7.3
133.04970	0.8
141.09138	1.5
143.03407	3.6
145.04991	0.9
153.01834	100.0
153.02869	4.5
154.02167	5.0
155.02292	1.5
159.10196	0.9
161.83511	0.7
171.02899	12.5
241.27811	0.7
297.06067	8.3
309.09851	0.8
315.07147	10.5
318.08691	0.7
368.36139	0.7
470.13474	4.4
470.19882	1.3
471.22006	3.0
471.35123	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	470.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
60.05636	1.9
69.03445	6.6
70.06593	6.2
77.62653	0.6
85.12978	0.6
91.05493	5.5
93.07059	6.0
95.04955	0.9
98.23309	1.3
103.05469	4.3
116.07122	2.0
121.06516	100.0
122.06850	3.8
129.22519	0.6
130.09744	0.7
138.09145	25.7
139.09464	1.0
153.01788	0.8
158.09314	0.9
171.11026	0.8
172.10968	0.7
175.11908	7.1
176.12199	1.3
215.09943	0.8
218.40157	0.6
252.13654	1.0
258.11325	0.7
261.24332	0.9
269.14731	1.1
270.14832	4.3
271.14355	1.1
312.16971	1.0
354.19177	1.6
355.48822	0.7
371.20416	0.7
372.20227	7.6
373.19998	2.2
400.86273	0.7
429.09393	0.8
470.16995	1.3
470.24405	0.9
471.20926	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	470.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03938	1.5
57.37079	0.4
71.33053	0.7
91.05476	3.9
93.07043	6.1
95.04987	1.0
103.05476	4.8
104.05804	0.4
105.04508	0.9
121.06506	100.0
122.06081	0.5
122.06823	2.7
130.76825	0.4
138.09142	23.8
139.09479	0.9
153.01840	0.6
154.02171	0.6
155.02400	0.4
219.08870	0.4
250.74863	0.4
256.35992	0.4
331.64069	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	470.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.15070	0.3
70.06575	0.4
70.70978	0.7
81.03395	0.3
91.05482	3.8
93.07047	6.8
95.04955	1.0
103.05469	4.1
105.04517	0.5
106.51826	0.3
115.10905	0.4
121.06503	100.0
122.06843	2.6
133.43771	0.3
138.09135	27.5
139.09457	0.9
147.04367	0.4
153.01799	0.5
159.82739	0.3
169.78870	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	470.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.6
56.45120	0.4
56.96570	0.8
58.06585	1.1
64.58437	0.4
69.60765	1.1
69.61155	0.7
70.06592	5.1
71.06052	0.4
72.08157	11.0
74.32309	0.3
75.09223	1.2
79.05492	0.5
83.08614	1.7
84.04485	0.6
84.08128	1.7
86.09702	1.6
89.03920	4.2
100.11263	9.5
105.56773	0.4
107.04974	1.9
111.04398	0.8
111.08477	0.4
112.11250	3.5
117.03390	7.0
127.86648	0.5
128.07086	0.8
129.13872	2.3
135.04416	13.7
145.02847	12.5
146.16519	1.8
153.01840	0.5
155.11797	1.2
162.05531	0.5
163.03906	100.0
164.04228	3.4
182.15405	2.9
183.14937	0.5
186.99178	0.7
197.01219	1.2
205.86446	0.4
209.16478	2.0
210.14894	3.8
211.14589	0.4
219.11230	0.4
220.09688	50.3
221.10034	2.2
234.11229	5.5
237.12212	0.7
277.69220	0.4
290.18579	0.6
291.17075	4.1
308.19693	13.8
309.20090	1.1
323.04425	0.7
453.20200	0.7
470.22885	60.3
471.23306	5.6
471.35397	13.4
471.42200	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	470.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01882	1.3
55.05520	1.5
55.75660	0.7
56.05032	5.9
67.05494	5.7
68.05035	4.0
68.72242	0.8
69.03432	3.0
69.07066	6.8
69.26844	1.5
69.27237	4.7
70.06595	5.0
71.04986	8.5
72.08153	3.1
79.05502	3.1
80.05018	69.1
81.03421	1.3
81.05348	1.5
81.07050	2.6
82.06578	3.4
83.04987	1.3
85.02902	2.6
85.06524	1.6
87.04475	1.8
91.05463	5.3
91.94533	1.0
93.07035	6.3
94.06578	5.8
95.04969	42.4
95.07340	0.9
95.08618	2.8
96.05273	1.0
96.08137	6.0
97.02885	2.6
97.06522	1.7
98.06071	5.4
99.04450	6.9
100.11241	2.9
103.05500	0.9
105.07047	3.7
107.04896	0.8
107.08591	1.7
109.06528	1.5
110.06036	1.7
111.04475	1.0
111.08118	1.2
112.94842	0.8
113.06016	10.4
116.07082	1.7
117.05514	1.7
117.07016	1.2
119.04946	1.4
119.08597	1.7
120.08099	12.3
121.06505	3.2
122.05990	0.9
122.09672	2.2
123.04421	5.9
123.08074	1.5
127.03925	2.5
129.07013	1.0
131.08545	1.1
133.05009	2.7
133.10164	1.0
135.04472	1.4
135.08070	1.3
137.09651	1.6
138.09138	40.4
139.07552	3.1
139.09538	1.8
140.10718	1.1
141.05467	10.3
141.09105	10.5
143.08560	1.3
145.02910	1.4
145.10130	1.3
147.04399	7.8
148.07581	11.0
153.01830	5.9
154.12239	5.3
155.03459	2.0
155.06990	1.3
156.10213	21.6
159.10208	5.2
163.03912	9.6
164.10820	1.2
165.05598	1.0
166.08643	14.6
167.07112	1.5
180.13977	0.9
182.08205	1.8
183.06541	1.7
184.09698	44.3
185.09964	1.4
186.11299	1.5
192.13821	1.7
202.10748	54.9
203.11127	1.7
208.13376	1.0
209.11911	0.9
218.11810	1.6
220.09695	3.3
223.74323	0.8
233.11569	1.3
234.14940	0.9
236.16516	2.1
238.14525	1.5
251.12793	11.3
269.13638	1.2
278.17523	7.8
304.15570	1.1
324.18085	2.7
348.18011	1.5
388.21347	2.4
406.22406	4.2
424.22995	1.7
434.21753	7.8
444.35751	1.0
452.22745	35.6
453.23178	2.9
470.23849	100.0
471.23990	8.5
471.34964	1.7
498.61737	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	470.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01882	1.3
55.05520	1.5
55.75660	0.7
56.05032	5.9
67.05494	5.7
68.05035	4.0
68.72242	0.8
69.03432	3.0
69.07066	6.8
69.26844	1.5
69.27237	4.7
70.06595	5.0
71.04986	8.5
72.08153	3.1
79.05502	3.1
80.05018	69.1
81.03421	1.3
81.05348	1.5
81.07050	2.6
82.06578	3.4
83.04987	1.3
85.02902	2.6
85.06524	1.6
87.04475	1.8
91.05463	5.3
91.94533	1.0
93.07035	6.3
94.06578	5.8
95.04969	42.4
95.07340	0.9
95.08618	2.8
96.05273	1.0
96.08137	6.0
97.02885	2.6
97.06522	1.7
98.06071	5.4
99.04450	6.9
100.11241	2.9
103.05500	0.9
105.07047	3.7
107.04896	0.8
107.08591	1.7
109.06528	1.5
110.06036	1.7
111.04475	1.0
111.08118	1.2
112.94842	0.8
113.06016	10.4
116.07082	1.7
117.05514	1.7
117.07016	1.2
119.04946	1.4
119.08597	1.7
120.08099	12.3
121.06505	3.2
122.05990	0.9
122.09672	2.2
123.04421	5.9
123.08074	1.5
127.03925	2.5
129.07013	1.0
131.08545	1.1
133.05009	2.7
133.10164	1.0
135.04472	1.4
135.08070	1.3
137.09651	1.6
138.09138	40.4
139.07552	3.1
139.09538	1.8
140.10718	1.1
141.05467	10.3
141.09105	10.5
143.08560	1.3
145.02910	1.4
145.10130	1.3
147.04399	7.8
148.07581	11.0
153.01830	5.9
154.12239	5.3
155.03459	2.0
155.06990	1.3
156.10213	21.6
159.10208	5.2
163.03912	9.6
164.10820	1.2
165.05598	1.0
166.08643	14.6
167.07112	1.5
180.13977	0.9
182.08205	1.8
183.06541	1.7
184.09698	44.3
185.09964	1.4
186.11299	1.5
192.13821	1.7
202.10748	54.9
203.11127	1.7
208.13376	1.0
209.11911	0.9
218.11810	1.6
220.09695	3.3
223.74323	0.8
233.11569	1.3
234.14940	0.9
236.16516	2.1
238.14525	1.5
251.12793	11.3
269.13638	1.2
278.17523	7.8
304.15570	1.1
324.18085	2.7
348.18011	1.5
388.21347	2.4
406.22406	4.2
424.22995	1.7
434.21753	7.8
444.35751	1.0
452.22745	35.6
453.23178	2.9
470.23849	100.0
471.23990	8.5
471.34964	1.7
498.61737	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	470.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01876	2.1
55.05515	7.9
57.03436	4.8
57.65288	0.8
61.02935	6.9
67.05513	2.1
69.03085	1.4
69.03433	16.7
69.07072	61.1
69.17471	7.2
70.07401	1.1
71.04993	1.8
73.02921	2.4
81.03429	7.6
81.07072	1.4
85.02911	100.0
85.74811	0.9
85.84708	1.0
87.04465	1.3
90.77846	0.9
91.03953	3.5
91.05480	1.0
93.07029	1.2
97.02898	24.8
99.04459	4.2
103.03928	1.4
103.69660	1.0
105.07026	1.5
109.02885	8.9
111.11727	27.7
115.03915	1.2
120.82405	1.1
127.03918	24.1
139.03925	1.0
141.61874	0.9
145.04964	36.8
163.06020	20.9
206.74496	0.9
237.14781	1.7
239.98270	0.9
330.44391	1.0
431.72009	1.1
449.94226	0.9
470.18454	3.5
470.24359	10.5
471.21469	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	471.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.05512	8.8
56.96568	47.3
57.03439	2.7
58.29850	1.5
67.05513	2.3
68.69843	1.4
69.03438	1.4
70.06592	3.9
71.30959	1.8
71.95264	3.0
76.58659	1.4
83.08615	6.3
84.96035	36.5
84.98492	1.4
85.02895	1.7
86.09694	2.8
86.13303	1.2
89.14827	1.6
95.04965	3.5
98.96947	1.5
98.97586	28.0
98.98196	2.0
100.07628	2.4
100.11259	50.8
101.06034	1.3
102.97076	2.0
103.03939	4.2
105.03392	21.9
110.97591	3.9
111.04462	4.2
112.99136	23.3
112.99914	1.6
115.00684	1.6
116.98618	13.7
117.13908	1.7
123.04443	6.0
124.04722	1.4
124.99101	2.9
126.97032	2.3
128.07063	3.8
128.98622	5.4
131.00171	33.1
134.99669	4.6
140.07126	1.9
140.98607	1.9
143.00153	5.4
144.98093	7.3
146.99689	3.8
147.04446	7.5
149.01219	22.0
150.97092	5.4
152.98650	2.1
153.01833	3.5
155.00146	4.0
158.99579	1.7
160.99170	4.4
161.01212	3.4
162.99187	5.5
163.03896	1.8
165.99348	2.5
168.98076	22.4
170.99695	3.7
173.01192	12.5
177.00749	2.9
177.64552	1.6
179.00154	18.8
179.07065	3.1
182.15421	13.5
183.06584	4.8
184.00522	3.5
184.06863	2.6
186.99149	45.1
189.00790	3.9
190.98676	2.0
191.02254	9.1
197.01227	100.0
201.00856	2.0
205.00197	16.6
207.01828	1.7
207.06572	3.9
209.01257	1.7
209.16484	7.3
210.00586	1.5
210.14938	15.3
211.02768	2.1
214.98969	2.0
215.02264	55.9
220.02831	2.6
225.00729	3.3
227.02344	4.3
227.17557	3.3
232.99654	2.5
235.02824	3.0
239.02299	6.2
243.01726	5.6
245.03389	3.8
245.18390	1.6
253.00351	3.0
253.03824	7.6
263.02322	2.6
271.01376	4.2
271.04996	1.7
281.03314	3.0
289.02371	9.6
290.14307	1.4
291.01743	8.1
295.04916	2.0
305.03339	14.6
309.02808	4.2
313.03809	6.3
323.04370	91.9
324.04788	2.2
329.03296	2.0
331.04892	12.9
341.05499	12.8
346.06082	1.7
347.04303	18.7
349.05655	2.2
355.22256	1.5
365.05380	11.0
375.03723	12.4
393.04929	32.6
411.05984	18.9
429.06885	6.5
471.07889	5.8
471.22412	15.7
471.35413	63.8
472.35550	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	471.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
57.03444	0.6
61.63644	0.6
69.03433	3.6
69.51215	1.7
69.51616	1.6
70.06586	1.7
71.04994	0.6
75.36623	0.5
79.01871	3.7
81.03414	6.6
85.02902	4.8
97.02888	6.3
98.22684	1.3
103.03939	1.3
107.01327	2.3
109.02882	5.1
125.02348	4.9
126.02753	0.6
127.03907	7.6
143.03378	5.9
145.04997	1.3
153.01833	100.0
153.02899	5.5
154.02173	2.1
163.03923	0.9
167.03389	1.0
171.02892	9.6
181.04939	0.7
191.69846	0.7
191.72377	0.6
210.61807	0.6
219.06653	0.8
223.06015	1.3
247.06041	2.7
250.29997	0.6
255.05061	2.3
265.07172	1.0
297.05966	6.5
299.07950	0.6
315.07007	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	471.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05938	0.8
53.03958	1.0
54.73418	0.7
69.03438	3.5
70.06603	7.6
71.29688	0.8
71.30061	1.1
72.08172	1.7
79.01858	4.8
81.03427	6.6
83.04995	2.1
85.02917	4.0
86.09702	5.1
90.50594	0.8
91.51412	0.8
97.02914	5.8
99.04456	1.5
100.11276	4.2
103.03948	1.5
107.01344	1.9
109.02905	2.6
110.07190	1.3
114.15308	0.8
125.02367	4.0
127.03909	5.6
139.03983	1.4
143.03429	5.0
147.04369	1.7
153.01839	100.0
153.02843	5.6
154.02187	3.0
155.02303	1.4
157.04921	1.1
163.03925	1.4
171.02902	8.3
181.04947	1.6
198.72182	0.9
209.16452	1.0
219.02878	1.1
223.05994	1.1
227.17546	4.8
237.03987	2.1
247.06068	1.9
255.05087	2.3
265.07230	1.5
297.06104	9.4
309.02710	1.2
315.07117	2.1
321.61081	1.0
358.40189	0.9
472.32376	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	471.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.4
57.23099	0.4
61.49072	0.5
65.03964	0.5
67.05505	0.6
68.99478	0.5
69.07064	1.0
69.37828	1.3
69.38229	1.2
70.06596	2.2
79.05449	0.5
82.06599	1.1
83.01099	1.1
83.04998	1.7
83.08627	8.5
84.08160	1.0
85.02904	0.6
85.06557	0.5
86.09708	0.8
91.05476	0.6
95.01096	2.4
95.04960	0.6
96.01882	1.3
97.02820	0.4
98.09700	0.9
100.07646	3.1
100.11261	64.0
101.11578	1.2
109.02840	0.5
110.06034	0.6
111.04446	5.5
112.01338	1.0
112.07613	1.1
113.02133	2.4
114.68368	0.5
117.13910	1.1
123.04414	1.1
126.02930	0.5
126.09122	1.0
127.03910	0.6
128.07098	3.6
137.05984	0.6
139.03917	4.9
139.08647	1.4
140.07063	2.3
147.04430	1.6
151.03925	0.7
153.01831	3.8
155.02229	0.6
157.04745	1.0
163.03897	2.2
164.04231	0.5
167.03313	0.5
177.05463	0.5
182.15430	15.0
183.16010	0.4
184.06065	1.1
185.04222	4.2
189.05220	0.6
201.03722	1.2
201.05461	0.8
203.03551	0.5
203.05315	1.1
209.16501	8.8
210.14903	17.7
210.16901	1.1
219.06326	2.4
220.09773	0.6
221.10005	1.0
226.19121	1.5
227.17548	2.6
228.15900	1.6
234.08633	17.6
235.09192	1.4
245.18602	1.8
259.07806	2.9
277.10397	1.8
289.06946	1.3
293.10318	0.9
309.13098	0.6
326.28040	0.9
337.21130	1.0
343.30670	1.1
344.52661	0.6
435.33514	0.6
440.16736	0.5
441.17215	2.2
453.34381	3.0
471.18182	100.0
471.35431	78.6
471.41379	1.4
472.18530	6.3
472.35730	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	471.1996
Annotation	LIMONIN
Peak:m/z	Relative Intensity
52.23908	1.7
55.01868	1.4
56.96569	7.7
69.07057	1.4
71.29676	1.6
74.51586	1.4
81.07050	2.2
91.05481	2.1
93.07042	2.1
95.04933	1.6
121.06495	6.1
142.12903	1.4
153.01755	1.7
191.77242	1.6
236.34306	1.3
250.40903	1.4
263.30655	1.6
265.14743	1.6
291.12570	4.4
309.13785	14.5
327.14767	7.5
335.09454	6.2
351.14828	3.3
471.20535	100.0
472.20709	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
55.87082	0.2
56.96567	0.3
67.05508	0.3
69.18302	0.5
69.18719	1.1
86.09698	0.5
86.90910	0.3
91.05478	0.4
93.07030	0.3
98.97577	0.3
109.10114	0.2
111.76276	0.2
120.29918	0.2
121.06514	0.3
123.04484	0.3
149.09686	0.2
174.42188	0.2
211.50455	0.2
219.01796	0.2
237.02901	0.3
243.05650	0.5
259.07977	0.3
267.05420	0.3
285.06403	1.1
297.29880	0.2
309.16705	2.0
471.21991	100.0
472.15714	1.0
472.22275	7.9
481.43042	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	471.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
69.73463	2.2
83.08602	1.0
91.05461	1.2
94.36775	0.4
98.23299	0.6
100.11277	4.8
100.42642	0.4
121.06402	0.5
133.28423	0.4
135.29070	0.5
147.04433	0.8
151.03964	0.7
153.01831	1.1
161.82144	0.4
163.03879	0.6
166.18874	0.4
182.15424	1.2
190.60568	0.5
210.14862	1.3
291.15714	1.2
309.16736	100.0
310.17062	5.7
329.43597	0.5
471.22055	79.1
471.35474	5.1
472.22461	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	471.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18876	0.6
67.05511	1.1
70.16605	1.4
81.07047	1.3
91.05502	0.8
93.07063	0.7
95.08596	0.9
98.29915	0.6
105.07032	0.9
121.06505	1.7
165.09274	0.7
201.03754	1.4
203.05267	1.1
253.14166	0.6
275.07458	1.6
308.31470	0.7
309.13788	1.8
333.07938	45.5
334.08289	2.3
335.09509	22.4
336.09656	0.6
348.54523	0.7
471.21973	100.0
472.22302	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52436	0.4
53.03947	1.4
53.33204	0.4
55.01869	0.5
70.60422	1.1
81.07069	0.6
83.05022	0.5
86.09718	0.8
91.04950	0.8
91.05485	6.1
93.07033	7.8
95.04981	1.4
95.08617	0.6
103.05472	5.9
105.04539	0.7
120.05576	0.4
121.06511	36.7
145.03458	0.5
145.83824	0.5
147.04462	0.5
163.03827	0.4
185.02925	1.2
215.04034	0.7
253.51581	0.5
270.28543	0.5
275.06934	1.7
277.05014	0.7
292.03516	0.5
307.05817	0.5
320.05612	1.0
334.07196	1.4
335.09476	41.4
336.05356	0.7
336.10001	1.3
351.20035	0.5
352.08121	7.9
471.22000	100.0
472.13916	17.7
472.22293	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	471.2204
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
81.07047	0.5
91.05503	0.7
93.07078	0.5
95.08617	0.4
96.00770	0.3
99.03068	0.3
99.04468	0.3
100.11217	0.4
103.05471	0.3
106.19221	0.3
107.08580	0.3
109.10174	0.6
111.64048	0.3
118.91500	0.3
119.05016	0.3
119.08638	0.3
121.06525	1.2
123.04462	1.4
139.03915	1.8
147.04424	0.7
153.01859	0.3
165.09154	2.2
194.63098	0.3
203.05266	0.7
259.08075	0.8
309.16757	1.3
351.06485	0.5
388.13049	0.3
471.22021	100.0
472.15588	0.6
472.22372	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	471.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
69.73463	2.2
83.08602	1.0
91.05461	1.2
94.36775	0.4
98.23299	0.6
100.11277	4.8
100.42642	0.4
121.06402	0.5
133.28423	0.4
135.29070	0.5
147.04433	0.8
151.03964	0.7
153.01831	1.1
161.82144	0.4
163.03879	0.6
166.18874	0.4
182.15424	1.2
190.60568	0.5
210.14862	1.3
291.15714	1.2
309.16736	100.0
310.17062	5.7
329.43597	0.5
471.22055	79.1
471.35474	5.1
472.22461	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15805	0.3
69.02225	0.4
70.42885	0.4
73.61559	0.4
82.20918	0.4
91.05498	0.7
95.04987	0.6
100.11273	0.6
121.06521	1.7
123.04482	0.7
147.04410	0.6
151.81128	0.4
153.01819	3.6
163.03969	0.8
201.03731	1.0
203.05290	1.2
219.09911	4.2
222.91760	0.4
273.14673	1.1
291.15671	2.4
294.87292	0.4
301.09000	0.8
309.13364	0.7
309.16681	2.8
312.40704	0.4
366.26654	0.5
383.16977	1.3
385.14774	1.6
401.17978	1.5
423.43304	0.5
453.20975	8.3
454.21298	0.9
471.22025	100.0
472.14697	0.7
472.22357	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	471.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
60.58039	0.3
67.05495	0.6
68.05032	0.3
69.07083	0.5
70.39669	0.7
71.08644	0.6
74.00661	0.5
76.03998	1.6
79.05462	0.5
80.05022	0.8
81.07089	0.6
83.75836	0.3
84.04509	6.3
85.01140	0.4
85.04047	1.3
87.01852	0.3
92.01722	0.5
93.05779	1.5
93.07031	0.4
94.06582	0.5
95.07393	0.3
95.08622	0.7
96.08137	1.1
97.01115	0.6
98.00680	0.6
99.05598	0.6
105.07047	0.5
106.06562	0.8
107.07380	2.2
108.08128	2.0
109.08936	0.6
111.02687	0.3
112.02193	5.8
112.03950	0.3
113.03533	0.5
119.08552	0.4
121.06528	0.4
121.10182	0.4
124.02197	0.3
124.07596	0.5
125.02971	2.2
126.03758	3.9
128.05309	1.6
130.05009	3.3
131.04576	0.9
137.04189	0.8
140.05295	71.7
141.05669	1.7
145.06120	1.3
148.11212	3.7
149.03983	0.4
152.05305	1.0
153.06612	0.3
157.10162	0.4
163.13583	1.3
164.14354	4.6
166.06854	1.0
166.15933	2.3
169.06145	0.3
172.84003	0.3
177.03296	4.3
180.04784	1.1
181.06123	0.7
185.03815	2.0
193.07976	1.4
194.06419	1.9
196.11562	100.0
197.11899	3.5
198.13129	2.4
219.13794	0.5
222.13132	8.8
223.13359	0.6
231.04359	6.3
232.17178	0.4
239.15793	2.0
249.14388	1.7
250.12630	12.9
251.12871	0.9
251.41245	0.3
257.19238	0.3
267.15274	6.5
272.18912	0.3
275.20029	1.0
288.06451	1.0
293.21164	2.5
305.16724	1.6
306.07455	0.7
342.18460	5.7
377.04584	0.3
378.18478	1.0
396.19547	0.5
455.26303	0.4
471.22333	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	471.2353
Annotation	acetyl-andilesin A
Peak:m/z	Relative Intensity
51.98370	0.7
52.75376	0.8
59.06815	0.7
60.67049	0.7
62.44016	0.8
62.80520	0.8
64.84791	0.8
66.04334	0.7
67.05493	1.1
69.81721	1.7
69.82087	1.6
93.07003	0.9
100.25868	0.7
116.40653	0.8
271.46457	0.7
290.76492	1.0
291.19296	13.9
291.22275	1.1
292.19852	1.1
295.90701	0.7
471.23553	100.0
472.23944	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	472.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02383	1.0
53.03952	3.8
53.35157	0.2
55.01870	0.5
60.09898	0.1
65.03943	0.4
67.05521	0.1
70.06262	0.4
75.15100	0.1
75.39658	0.1
77.03928	1.1
78.90301	0.1
79.05507	0.2
81.03426	0.5
91.05487	15.2
92.05843	0.3
93.07052	19.5
94.07387	0.4
95.04979	5.0
102.04712	0.3
103.05477	17.9
104.05844	0.3
105.04528	2.3
111.47954	0.1
112.02412	0.1
121.06516	100.0
122.06840	2.3
125.85739	0.1
135.08066	0.2
149.57774	0.1
157.15025	0.1
174.89423	0.1
216.09660	0.2
221.05994	0.9
231.04459	0.2
233.05919	0.2
236.04733	0.4
236.07158	0.5
237.05464	0.4
245.04630	0.2
246.05626	0.8
249.05475	1.0
252.04012	0.1
264.04144	0.2
264.06622	0.6
265.04932	0.2
266.05740	0.3
268.03760	0.3
274.05011	1.0
277.04984	1.4
279.06482	0.2
291.05231	0.9
292.03125	0.9
292.06381	1.3
302.04465	1.5
306.07462	0.2
307.06052	0.3
309.07730	0.9
310.04614	0.5
319.04849	0.3
320.05554	3.4
321.06009	0.2
334.07120	3.0
335.05444	1.2
335.09039	0.2
336.05106	2.1
337.05920	1.0
338.06534	0.3
352.08167	20.9
353.08585	1.1
378.09702	0.2
472.13947	46.7
473.14331	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	472.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
50.33012	0.2
51.02161	0.2
51.02381	0.9
53.03717	0.3
53.03950	3.9
53.35136	0.2
55.01862	0.5
56.07659	0.2
57.95671	0.2
58.13488	0.2
69.10127	0.9
69.10528	0.5
77.03925	1.0
79.05486	0.3
79.21192	0.2
81.03420	0.5
85.65062	0.2
91.05486	16.0
92.05816	0.3
93.07046	19.4
94.07356	0.4
95.04367	0.3
95.04974	5.3
100.83629	0.2
102.04696	0.3
103.05470	17.8
104.05803	0.6
105.04524	2.6
121.06509	100.0
122.06840	2.4
126.40632	0.2
127.56610	0.2
140.06041	0.2
165.09062	0.4
184.68033	0.2
191.04953	0.3
208.05249	0.4
210.84955	0.2
211.07617	0.4
219.04489	0.4
220.05177	0.4
233.05847	0.2
235.07700	0.2
236.04721	1.2
246.05542	0.4
247.03864	1.0
248.04846	0.2
250.08786	0.3
251.07179	1.2
260.07040	0.3
261.05380	0.9
263.06973	0.8
264.04175	0.7
265.04895	0.2
267.06433	0.2
275.03452	0.2
278.08118	0.5
279.06577	1.3
288.06577	0.3
291.06204	0.6
292.06403	0.2
306.07687	1.8
307.05981	6.8
308.06461	0.5
309.07498	1.3
316.05975	0.3
324.08817	0.2
325.06998	1.6
334.07071	2.1
335.05487	6.9
336.06076	0.4
352.08142	13.6
353.06137	1.6
378.09708	0.3
434.19962	0.2
472.13925	52.4
473.14267	3.8
496.84827	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	472.145
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18036	1.1
69.03423	3.3
70.56220	3.3
71.51956	1.1
79.01868	3.7
81.03434	7.5
85.02891	3.8
88.79565	1.1
91.08291	1.5
97.02917	6.8
107.01363	1.2
109.02895	5.6
111.82516	1.1
120.26784	1.4
125.02370	4.3
127.03937	6.5
143.03406	5.4
145.04974	1.4
149.53337	1.2
153.01834	100.0
154.02150	7.3
171.02902	13.6
179.03264	2.1
201.38550	1.1
289.65994	1.3
297.06036	11.7
315.07153	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	472.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26037	0.4
53.54367	0.5
53.80380	0.4
57.03419	0.6
57.98810	1.1
58.99297	1.0
58.99587	16.3
61.02930	0.8
62.78802	0.4
65.09467	0.4
69.03417	1.6
70.06596	5.9
71.29566	0.5
71.29972	0.5
72.08151	2.6
76.02247	0.6
81.03410	1.2
81.56083	0.5
84.04515	1.1
84.08149	1.1
85.02901	1.5
86.09688	1.8
86.99059	10.5
88.04011	0.5
91.05497	0.5
93.09685	0.4
95.26897	0.4
97.02888	1.4
100.02206	63.5
105.00092	19.0
105.07043	1.3
109.02887	0.6
110.07200	0.5
116.07104	0.5
119.08579	0.9
127.03892	0.8
131.08548	0.7
135.08041	0.9
138.05553	0.5
139.03911	0.6
144.01143	0.7
144.06577	0.8
146.02708	77.8
147.03029	1.4
147.11659	1.0
149.97284	0.5
153.01817	7.7
154.02164	0.8
161.09219	2.1
163.05800	0.6
171.02928	0.7
173.13237	0.6
185.09268	0.5
260.15939	0.6
285.03857	0.5
292.13657	2.5
292.18231	0.4
310.14755	3.6
315.06833	0.5
472.19998	100.0
473.20380	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	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01875	2.6
55.05503	6.0
67.05501	5.9
69.03438	4.6
69.06446	4.8
69.06840	2.7
69.07083	5.7
71.04996	26.6
71.78010	1.2
79.05503	5.7
81.03422	4.0
81.07050	7.7
83.04984	5.8
83.08617	2.4
85.02916	11.7
85.06547	9.1
86.29695	1.5
87.04458	1.4
91.05479	8.2
93.07040	11.5
93.17461	1.3
94.36272	1.3
95.04979	13.6
95.08609	16.5
96.08999	1.5
97.02889	4.3
97.06525	21.4
97.89032	1.3
98.10453	1.5
99.04459	100.0
99.08129	1.7
99.14460	1.4
100.04781	1.6
101.06018	16.0
102.91479	1.5
105.07028	17.7
107.08601	6.9
109.06531	7.2
109.10155	7.5
109.11398	1.4
111.08105	5.3
117.07047	2.2
119.08572	21.5
121.06515	4.4
121.10156	18.9
121.70907	1.3
123.08067	3.1
123.11726	4.0
127.03950	1.8
128.06233	1.7
131.08588	3.7
133.10109	14.5
135.08078	2.9
135.11696	2.0
137.09636	6.4
141.09132	2.3
142.07764	2.7
143.08575	7.0
145.04951	3.2
145.10088	6.6
147.11696	41.1
149.09604	2.9
153.09138	7.2
155.10674	86.7
156.10994	1.9
157.10109	9.3
159.11690	6.4
161.09663	2.0
161.13269	2.3
165.09102	2.0
165.12737	3.4
169.10121	3.2
171.11745	9.0
173.13275	3.1
175.14839	20.4
179.10892	1.7
182.10986	1.9
183.11662	8.3
184.12366	2.9
187.14828	4.7
193.15877	9.5
195.13878	2.3
197.13272	9.2
199.14836	39.2
200.15158	2.2
201.12791	3.7
209.13348	1.8
215.14273	2.5
217.15923	5.1
239.17964	21.8
257.18991	30.2
275.20096	14.5
293.21173	5.7
301.90430	1.5
310.17068	1.5
334.08203	3.1
338.65961	1.5
472.22388	75.9
473.22409	5.7
494.38049	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	473.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03942	1.1
53.97177	0.5
55.01857	1.0
55.05489	1.6
65.03946	1.1
67.05508	7.2
68.99789	1.4
69.03420	1.6
69.07065	1.4
69.12331	2.6
69.12753	1.1
73.26097	0.5
77.03925	1.1
79.05495	2.2
81.03421	3.6
81.07060	4.4
83.04976	1.2
83.08610	0.5
83.63184	0.4
86.09693	2.1
91.05478	3.7
91.07001	0.5
93.03414	1.0
93.07024	2.8
95.04967	3.9
95.08599	2.7
97.02909	0.6
97.06535	0.7
105.03394	1.4
105.04558	0.6
105.07040	1.8
107.04946	1.5
107.08585	1.9
107.56968	0.4
109.10149	4.0
111.00816	1.0
111.04446	2.9
115.57350	0.5
117.06993	1.3
119.08575	1.7
121.02894	1.0
121.06518	2.2
121.10141	1.2
123.04433	100.0
124.04768	2.6
127.03917	1.1
129.07048	0.6
131.08563	1.8
133.06444	0.6
133.10094	1.0
135.04399	0.7
135.08051	0.7
135.11696	0.9
137.09622	5.7
139.03906	69.4
140.04253	1.7
145.06462	0.9
145.10100	0.5
147.04361	2.5
147.08041	1.0
151.03920	7.1
151.07590	0.5
161.05969	0.8
163.03909	1.7
163.07532	1.3
165.05466	0.9
165.09119	3.8
167.03421	1.0
175.03955	1.0
175.11243	0.8
185.04257	0.8
189.05450	0.5
191.10582	0.6
193.04958	1.1
203.07033	0.8
205.08586	0.6
217.08577	1.7
223.09776	0.5
227.14169	0.5
235.09734	0.8
255.06543	0.8
273.07581	12.3
273.10388	0.9
274.07767	0.5
298.71115	0.5
311.21960	9.7
411.29495	0.6
419.25684	1.3
437.26840	4.1
455.28003	9.1
473.27292	54.3
474.27646	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	473.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01876	1.2
55.05505	3.0
56.02604	0.7
57.03430	2.3
57.76261	0.7
59.36569	0.8
62.30661	0.7
64.45753	0.7
64.75206	0.7
65.03914	0.9
67.05502	3.1
69.03429	12.8
69.07066	0.8
70.06602	1.4
70.55167	1.4
70.55505	1.0
71.04976	0.7
72.08143	0.7
73.02950	0.8
75.04479	2.1
76.29442	0.7
76.99542	0.7
79.05492	30.3
81.03421	20.8
81.07066	4.1
81.14133	0.7
85.02907	6.3
86.09710	1.2
87.04498	1.0
89.03912	5.8
91.05482	21.7
92.05830	0.9
93.07044	100.0
94.07388	2.4
94.28445	0.7
95.04974	5.9
95.08611	1.7
97.02888	8.1
99.04462	1.7
103.05450	1.1
105.04493	2.1
105.07022	11.7
107.04953	3.0
107.08595	22.9
107.09296	1.6
108.08875	0.7
109.02879	7.8
109.06536	1.3
111.04403	0.8
111.08020	1.7
116.06255	1.3
117.03369	6.8
117.07002	2.0
119.04941	0.9
119.08583	24.8
120.08920	1.1
121.06557	3.4
121.10143	98.0
122.10484	3.1
123.04405	1.7
123.11738	1.2
127.03900	3.6
129.07008	2.0
131.08580	9.8
133.07556	1.1
135.03485	1.3
135.04422	12.3
137.09633	1.1
139.03870	2.2
139.11191	1.3
145.02858	7.1
145.04980	3.1
145.10072	1.1
147.04401	2.4
147.08012	1.8
149.09619	40.6
150.09937	1.9
153.01851	2.2
155.08540	1.6
162.05495	1.2
163.03909	57.0
164.04237	1.9
165.05461	2.6
165.06914	0.9
165.09113	1.4
167.10674	8.4
168.05681	0.8
175.03912	3.6
179.08511	0.8
183.08076	1.5
187.07549	1.6
211.07347	0.8
212.08215	0.9
229.08607	12.8
230.09117	1.1
255.10097	0.9
283.13214	2.5
291.12265	0.8
293.11035	1.0
293.13889	13.3
311.15329	7.5
455.27808	1.9
472.81644	2.7
473.17877	8.8
473.23145	1.1
474.18179	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	473.2359
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
50.79114	0.3
51.38702	0.3
70.06593	0.5
72.08186	0.4
81.37714	0.3
86.09700	0.4
100.67265	0.3
117.90370	0.3
121.06538	0.4
131.04514	0.3
139.03911	0.4
181.06125	0.9
193.02911	0.4
203.05341	0.8
207.13629	0.4
256.09268	0.4
275.07080	0.3
289.08945	6.9
293.17197	3.1
294.17804	0.3
311.18283	4.3
312.12433	0.5
322.06827	0.3
369.18835	1.4
378.63531	0.3
424.21985	0.3
455.22617	0.8
473.23630	100.0
474.23978	7.1
488.27603	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	473.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01875	0.6
55.05512	0.9
59.71564	0.3
65.03938	0.4
67.05514	3.2
68.99803	0.4
69.03440	0.6
69.07086	1.0
71.30113	0.4
79.05505	3.2
81.03429	2.4
81.07077	2.7
82.38190	0.3
83.04987	0.9
83.08618	0.6
85.02921	0.3
86.09714	1.0
91.05492	2.5
93.07059	2.3
95.04980	1.8
95.08607	2.0
97.02879	0.5
97.06577	0.4
99.65430	0.3
105.07035	1.9
107.04994	1.3
107.08589	1.6
109.06553	0.4
109.10173	1.0
111.00829	0.4
111.04478	0.3
117.07072	0.9
119.08583	1.2
121.02914	0.6
121.06525	1.7
121.10172	1.1
121.61791	0.4
123.04427	4.6
127.03934	0.7
127.07513	0.3
129.06999	0.6
131.01981	0.3
131.08580	1.2
133.06500	0.6
133.10150	0.7
135.08112	1.0
135.11723	0.5
137.05980	0.7
137.09604	0.5
139.03918	6.9
139.04993	0.4
141.07030	0.6
143.08598	0.5
145.06519	0.6
145.10126	0.9
147.08147	0.5
149.06021	0.3
149.09654	0.4
151.03954	1.1
157.10101	0.6
159.11693	0.3
163.03987	0.5
163.07541	0.6
165.05507	0.7
165.09148	1.2
167.03436	0.8
167.08606	0.3
171.08066	0.4
173.13246	0.5
175.03928	0.8
175.07484	0.4
189.05508	0.6
191.07010	0.3
193.05017	0.9
201.05457	0.4
203.03780	0.3
203.06993	0.4
205.08676	0.5
217.08621	1.9
235.09686	0.7
293.19778	0.6
311.21326	0.5
369.15451	0.3
409.27466	0.3
419.25763	1.1
437.26901	3.3
438.27734	0.5
455.27908	6.4
456.28229	0.4
456.73135	0.3
473.27295	100.0
474.21609	0.5
474.27631	8.6
474.34531	0.4
496.81833	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	473.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14044	0.5
53.03953	0.6
55.01882	1.0
55.05507	1.4
61.77541	0.6
67.05507	5.1
68.99804	0.8
69.03428	1.4
69.07070	1.7
69.90081	1.7
78.54076	0.7
79.05510	5.0
81.03420	3.6
81.07059	3.3
83.08639	0.7
85.02918	1.2
86.09713	0.9
91.05479	3.3
92.24525	0.6
93.07016	3.6
95.04966	3.6
95.08618	2.3
97.02870	0.9
97.06567	0.7
103.05470	0.7
105.03394	0.6
105.07039	2.4
107.04974	2.2
107.08602	2.9
109.10177	1.7
111.04445	0.9
117.07020	1.1
119.08562	1.9
121.02866	0.7
121.06515	2.7
121.10178	2.0
123.04424	5.4
123.08046	0.7
127.03905	0.9
129.07048	0.9
131.08572	2.1
133.06499	1.0
133.10133	1.3
135.04364	0.6
135.11711	0.9
137.09683	0.7
139.03894	9.3
145.06506	0.6
145.10162	0.8
147.08018	1.1
147.11737	0.6
149.09637	0.6
151.03918	1.5
157.06502	0.8
157.10127	0.8
158.46092	0.6
159.08023	0.7
159.11690	0.6
161.09584	0.5
163.03946	0.8
163.07617	0.7
165.09116	1.2
167.03427	1.5
175.03946	1.3
203.07182	1.1
217.08591	1.8
311.21381	1.0
393.24176	0.6
419.26022	1.1
437.26859	3.9
455.28018	8.4
473.27280	100.0
474.21320	1.0
474.27573	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	473.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01875	0.6
55.05512	0.9
59.71564	0.3
65.03938	0.4
67.05514	3.2
68.99803	0.4
69.03440	0.6
69.07086	1.0
71.30113	0.4
79.05505	3.2
81.03429	2.4
81.07077	2.7
82.38190	0.3
83.04987	0.9
83.08618	0.6
85.02921	0.3
86.09714	1.0
91.05492	2.5
93.07059	2.3
95.04980	1.8
95.08607	2.0
97.02879	0.5
97.06577	0.4
99.65430	0.3
105.07035	1.9
107.04994	1.3
107.08589	1.6
109.06553	0.4
109.10173	1.0
111.00829	0.4
111.04478	0.3
117.07072	0.9
119.08583	1.2
121.02914	0.6
121.06525	1.7
121.10172	1.1
121.61791	0.4
123.04427	4.6
127.03934	0.7
127.07513	0.3
129.06999	0.6
131.01981	0.3
131.08580	1.2
133.06500	0.6
133.10150	0.7
135.08112	1.0
135.11723	0.5
137.05980	0.7
137.09604	0.5
139.03918	6.9
139.04993	0.4
141.07030	0.6
143.08598	0.5
145.06519	0.6
145.10126	0.9
147.08147	0.5
149.06021	0.3
149.09654	0.4
151.03954	1.1
157.10101	0.6
159.11693	0.3
163.03987	0.5
163.07541	0.6
165.05507	0.7
165.09148	1.2
167.03436	0.8
167.08606	0.3
171.08066	0.4
173.13246	0.5
175.03928	0.8
175.07484	0.4
189.05508	0.6
191.07010	0.3
193.05017	0.9
201.05457	0.4
203.03780	0.3
203.06993	0.4
205.08676	0.5
217.08621	1.9
235.09686	0.7
293.19778	0.6
311.21326	0.5
369.15451	0.3
409.27466	0.3
419.25763	1.1
437.26901	3.3
438.27734	0.5
455.27908	6.4
456.28229	0.4
456.73135	0.3
473.27295	100.0
474.21609	0.5
474.27631	8.6
474.34531	0.4
496.81833	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	473.2898
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
51.02365	1.9
53.03948	13.6
55.01866	5.5
55.05511	22.8
56.55777	1.5
57.03429	3.7
60.49221	1.6
65.03945	9.7
67.05508	64.2
68.99783	4.3
69.03419	7.0
69.07071	17.1
70.56886	4.3
71.04987	1.6
77.03925	2.3
79.05494	72.0
81.03421	100.0
81.07056	51.9
82.03747	2.6
83.04979	10.1
83.08620	21.2
85.02884	3.9
85.06542	2.8
89.41751	1.7
89.66263	1.8
91.05483	73.4
93.07047	48.8
95.01320	2.5
95.04974	49.8
95.08602	31.2
97.02884	5.1
97.06498	8.5
97.10144	3.2
97.62804	1.7
103.05436	1.8
105.04535	3.3
105.06381	3.2
105.07036	43.2
107.04961	13.2
107.08595	18.6
109.06528	9.6
109.10152	11.5
111.00806	3.3
111.04424	5.6
111.08061	8.8
115.05454	2.4
117.07012	10.5
117.15168	1.5
119.04913	2.0
119.08585	32.1
121.02848	5.2
121.06510	13.1
121.10177	13.3
123.04437	5.0
123.08064	6.9
123.11742	2.7
125.02364	1.7
125.09673	2.3
127.03909	3.2
128.06230	6.3
129.06998	20.1
131.08556	14.2
131.37195	1.6
133.06494	6.2
133.10161	14.7
135.08046	4.9
135.11697	5.1
139.03897	27.4
141.07018	2.7
142.07747	2.7
143.08568	8.5
145.06496	5.7
145.10129	9.4
147.08049	7.5
147.11702	28.9
149.02371	9.4
149.09587	4.6
151.03928	4.6
156.09370	2.0
157.06499	3.0
157.10107	9.9
159.08075	2.3
159.11754	2.3
161.06067	1.9
161.09636	4.3
161.13239	6.6
163.07571	6.1
165.05504	2.3
165.12788	2.0
167.03426	6.2
169.10114	2.4
171.08058	3.4
171.11694	19.9
173.13217	2.2
175.03932	5.9
175.07506	3.1
175.11205	7.9
176.38893	1.8
176.89508	1.8
177.05489	2.4
181.05028	2.0
181.08585	3.6
185.13242	2.5
189.05479	1.7
189.12752	7.3
193.04909	8.2
193.12248	25.3
194.12442	2.2
201.05452	2.5
203.07033	4.6
205.08609	6.4
207.13811	14.7
215.07074	2.3
217.08607	13.4
223.09712	3.6
235.09615	3.6
249.14816	3.6
301.17960	2.0
343.18973	2.3
359.22711	2.1
381.24066	1.9
409.17786	2.8
419.25848	3.8
429.12061	2.5
437.26834	20.5
438.27197	3.5
455.22046	3.3
455.27951	41.0
456.28354	4.4
473.14340	6.0
473.28970	41.0
474.29590	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	473.2899
Annotation	Ajugin B
Peak:m/z	Relative Intensity
51.65332	2.0
53.03941	7.4
55.01863	7.4
55.05513	8.7
65.03923	6.3
67.05503	43.9
68.33076	2.0
68.99799	12.9
69.03423	6.4
69.07072	17.2
79.05489	41.3
81.03420	14.4
81.07055	32.2
83.04956	3.3
83.08604	3.4
85.02902	2.5
91.05473	36.0
93.07048	32.3
95.01346	3.2
95.04974	28.9
95.08608	31.1
97.02885	4.9
97.06542	7.1
98.23299	4.3
103.05489	4.1
105.03421	3.0
105.07035	19.0
107.04957	13.3
107.08600	17.0
108.49925	2.0
109.02934	2.8
109.06536	4.1
109.10169	7.5
110.95095	2.1
111.00815	11.3
111.04460	5.0
111.08057	3.8
113.47719	1.9
117.07018	10.2
119.08571	13.0
121.02867	6.2
121.06530	14.9
121.10138	17.0
123.04433	12.1
123.08044	2.9
123.11787	3.0
125.02352	3.7
127.03933	11.1
128.06244	2.9
129.07025	7.2
131.08521	11.2
133.06488	6.0
133.10115	11.0
135.08041	8.2
135.11699	8.8
137.05972	4.1
139.03903	59.3
141.06989	2.6
143.08598	5.6
145.06485	6.4
145.10136	9.0
147.04402	2.3
147.08038	8.6
147.11671	4.7
149.06006	2.8
149.13261	3.3
151.03912	10.8
153.05434	2.7
155.03397	5.7
155.08565	2.5
157.04962	3.0
159.11716	3.7
161.05957	5.8
161.09566	3.1
161.13278	3.4
163.03891	5.1
163.07542	13.4
165.05460	6.3
167.03383	14.3
169.10170	3.2
171.08072	4.2
171.11711	4.1
173.05948	3.1
175.03958	12.4
175.07478	5.6
175.11029	2.5
177.05484	5.0
179.07016	2.3
181.04965	3.3
181.08566	3.4
185.13313	2.6
187.07629	2.6
189.05336	3.3
189.09164	3.5
193.04979	9.6
199.07553	2.3
201.05597	4.1
203.07040	7.6
203.10881	2.1
205.08606	8.8
207.06543	2.9
213.09258	2.6
215.06972	2.6
217.08603	29.8
221.08029	3.4
223.09610	8.4
229.08603	2.1
229.33719	2.3
235.09677	8.1
299.00244	2.3
301.18167	3.2
321.86578	2.2
359.22211	3.9
387.21490	3.4
400.60468	2.0
409.27209	3.0
419.25931	9.6
437.26910	45.2
438.27057	4.2
455.27917	100.0
456.28134	7.0
473.28708	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	473.29
Annotation	Ajugin B
Peak:m/z	Relative Intensity
51.75537	2.8
53.00299	4.8
53.03939	11.8
55.01865	11.1
55.05512	28.2
57.03439	3.4
61.03679	3.0
65.03938	9.3
67.01882	5.0
67.05508	93.8
68.99792	44.6
69.03427	9.3
69.07072	27.0
71.01366	7.2
71.04991	4.6
79.05498	99.1
81.03423	85.9
81.06591	4.1
81.07062	83.3
82.07407	3.7
83.04983	9.6
83.08624	23.6
85.06564	5.6
91.05488	78.5
93.07052	81.7
95.01315	17.6
95.04975	60.8
95.08041	5.6
95.08609	60.7
97.02895	9.3
97.06540	17.8
97.10192	6.8
103.05457	4.8
105.04545	4.5
105.07038	47.5
107.04964	17.7
107.08607	33.4
109.06524	9.0
109.10157	20.9
111.00806	100.0
111.04413	6.6
111.08080	12.6
113.02301	3.9
115.05434	4.0
116.09262	2.7
117.07015	24.8
119.04902	3.3
119.08580	32.4
121.02896	6.9
121.06497	24.0
121.10151	32.2
123.04442	13.7
123.11715	8.4
126.26292	2.9
127.03916	52.5
128.06216	5.9
129.07024	16.7
130.10049	2.8
131.08578	22.4
133.06479	9.0
133.10120	24.8
135.08055	14.8
135.11700	12.1
137.05992	4.9
137.09595	5.5
139.03914	37.5
141.07057	3.8
142.07773	4.7
143.08580	11.5
145.06448	7.5
145.10126	17.6
147.08047	11.3
147.11702	20.2
149.06012	5.4
149.09662	4.2
149.13269	6.8
151.03923	7.5
155.03403	38.4
157.04988	31.0
157.06337	4.8
157.10159	6.6
159.08055	6.6
159.11696	3.2
161.06015	8.5
161.09631	6.8
161.13240	12.1
163.03897	16.7
163.07530	31.0
164.47571	3.3
165.05542	3.9
171.11702	18.7
173.13257	5.0
175.03918	5.6
175.07443	4.1
175.11301	5.0
177.05542	5.0
177.09137	6.0
181.04944	26.3
181.08592	7.3
185.13319	5.9
189.05443	8.9
189.09019	4.0
189.12798	5.7
191.07002	3.2
193.04915	3.7
193.12231	14.7
197.09502	3.9
205.08617	55.5
207.06558	19.1
207.13817	13.7
215.17995	3.3
217.08604	8.2
223.09644	79.3
251.20294	4.2
311.12268	3.7
325.96124	3.3
329.24805	3.9
333.24280	7.0
419.25726	4.1
437.26932	29.9
438.26877	5.5
449.08481	4.1
455.27893	62.1
456.28210	6.0
473.29034	58.6
474.29205	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	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.0
53.03939	3.1
55.01871	1.7
55.25111	1.0
64.94600	1.1
67.05509	6.5
68.99767	1.3
69.03440	7.4
69.07039	1.2
70.06598	25.3
71.04975	1.3
72.08140	4.9
79.05501	9.2
81.03420	12.6
81.07056	40.4
84.08120	1.1
85.02903	6.2
85.06536	4.3
86.09701	12.3
91.05482	11.0
93.07045	9.2
95.04962	2.2
97.02889	10.5
98.22561	2.5
99.04447	4.0
105.06992	1.2
107.08560	1.2
108.04505	1.6
109.02886	12.8
109.06522	47.0
111.04425	2.7
119.04948	7.4
119.08574	1.5
120.08106	1.9
123.04413	1.7
127.03917	12.5
127.07534	6.0
129.10222	1.5
137.05980	100.0
138.06316	3.0
139.03928	1.3
145.04892	1.3
147.04405	5.4
153.01851	1.1
155.07033	25.6
173.08119	12.0
174.05559	1.1
197.08058	1.7
199.03883	1.3
203.07050	2.2
231.06519	2.7
249.07549	2.4
257.10214	2.5
263.13919	13.1
281.10083	10.1
299.11234	10.2
300.12268	1.0
324.95288	1.0
458.84106	1.2
474.20975	2.7
475.32437	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	474.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15157	1.0
51.32590	1.1
53.03944	3.5
55.01891	1.8
55.05513	13.3
57.03445	10.1
57.07084	1.5
65.03963	1.6
67.05508	29.8
68.05826	2.6
68.99798	4.5
69.03368	5.1
69.03790	5.5
69.07077	10.8
70.07413	1.5
79.05499	42.2
80.05837	2.7
81.03437	8.3
81.07056	24.9
81.67278	1.1
82.07416	1.5
83.04980	1.9
83.08625	5.7
85.06530	1.5
91.04901	1.5
91.05484	32.8
92.05807	2.9
93.07050	36.5
94.07389	2.0
95.01347	1.5
95.04987	8.8
95.08607	19.6
96.05315	1.8
96.08984	1.4
97.02870	1.6
97.06542	3.1
97.10168	2.0
98.22662	3.0
98.97585	3.3
105.07037	28.1
106.07358	1.3
107.04970	1.9
107.08609	16.8
108.08913	2.1
109.06530	2.9
109.10162	4.4
110.10473	1.5
111.00810	8.1
111.08073	1.6
112.01134	1.7
115.05404	1.6
117.07038	8.2
119.08592	19.3
120.08916	2.1
121.06525	2.6
121.10157	13.8
123.11716	1.5
127.03941	4.7
128.04279	2.3
129.06985	4.0
131.08571	7.7
133.06454	1.4
133.10139	13.0
134.10481	1.9
135.08073	1.2
135.11690	7.0
137.09692	1.3
139.03915	2.0
143.08582	4.2
145.10152	5.4
147.08109	1.6
147.11714	9.8
149.13188	2.8
155.03384	2.4
156.03723	1.3
157.04971	2.4
157.10123	3.3
159.11745	4.5
161.05968	1.7
161.13210	3.1
163.07552	2.9
164.07858	1.5
171.11687	4.0
173.13260	3.3
175.14842	2.0
181.04979	2.1
185.13202	1.4
199.14653	1.5
205.08626	3.8
206.08986	2.5
208.06851	1.6
223.09669	5.6
224.09872	3.1
241.19571	3.5
259.20532	5.3
275.34900	1.3
302.24771	2.8
319.15759	2.9
333.24240	100.0
334.24689	6.7
438.27313	2.0
456.28250	6.8
474.29193	5.8
475.27414	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	475.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
65.03950	0.7
67.05488	0.6
68.99786	3.2
70.30549	1.5
70.30919	1.1
77.75052	0.5
79.01878	4.9
81.03429	3.3
85.02899	3.2
97.02901	0.9
101.71117	0.7
107.01316	1.6
107.50592	0.7
109.02881	7.2
111.00797	3.3
121.02866	0.8
123.04420	5.7
125.02372	2.1
127.03923	24.1
129.08220	0.7
133.02881	1.5
134.71533	0.6
139.03909	8.5
143.03401	5.7
147.04379	3.2
150.59523	0.7
151.03911	20.9
152.04271	0.8
153.01837	100.0
153.02911	5.4
154.02190	2.6
155.03395	29.8
169.04875	0.6
175.03914	8.4
177.05463	1.9
179.03406	6.1
185.06053	0.8
196.03864	0.6
198.58514	0.7
199.03951	1.7
201.05496	0.7
203.03424	8.7
213.05511	3.5
241.04973	2.6
259.06277	1.5
269.04364	1.1
287.05515	22.5
288.05896	1.6
303.04977	0.8
305.06512	4.2
337.05206	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	475.1237
Annotation	Fujikinetin 7-O-glucoside
Peak:m/z	Relative Intensity
55.05509	0.2
60.95845	0.2
64.68424	0.1
68.99786	1.5
69.03437	0.3
69.57623	0.4
69.58017	0.3
71.82742	0.2
83.04972	0.7
85.02895	0.6
86.09711	0.3
87.02586	0.1
88.08504	0.1
91.05463	0.2
97.02878	0.2
98.22746	0.3
99.04454	0.2
101.02385	0.6
103.03940	0.2
103.23801	0.2
105.03370	0.2
107.04970	0.9
108.35000	0.2
118.31470	0.1
123.04420	0.3
127.03919	0.6
131.04922	0.6
138.09160	0.2
139.03899	0.4
145.02827	0.6
145.04932	0.2
146.03197	0.2
147.08023	0.2
151.03888	0.2
151.11198	1.2
153.01811	1.9
155.04913	0.2
157.06487	2.9
159.04439	0.5
163.03961	0.3
166.08633	0.5
167.03409	0.4
169.06494	0.8
169.12215	0.2
173.06047	0.2
175.07542	0.4
177.05475	0.6
178.05746	0.4
181.06482	0.2
183.04422	0.5
185.05981	3.1
187.03918	2.8
187.07542	0.5
197.05963	2.1
198.06544	0.2
202.06274	0.3
204.04120	0.3
211.03900	0.3
211.07603	0.2
215.07045	0.8
217.08646	0.4
225.05455	0.5
228.04156	0.2
229.08563	0.6
239.07040	0.2
242.05780	0.3
243.06529	3.2
253.04941	1.1
257.08157	1.1
267.06564	0.3
269.04449	2.6
270.05215	4.1
271.05603	0.3
276.25836	0.2
285.07642	0.6
295.18649	0.4
296.88049	0.2
297.03931	6.7
298.04703	14.5
299.05139	0.8
313.07047	100.0
314.07370	6.6
314.11029	0.4
327.03632	0.3
475.12668	1.6
475.25165	3.0
476.24759	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	475.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01881	3.6
57.03443	4.1
61.02932	11.3
69.03434	18.8
71.05006	2.1
71.95964	0.7
72.08160	0.9
73.02910	5.2
78.29359	0.6
79.05475	1.2
81.03425	8.6
85.02912	100.0
86.03227	1.1
86.09733	0.8
86.11997	0.7
87.04472	3.3
91.03954	6.8
91.05486	1.0
97.02901	27.6
99.04456	4.6
101.02380	0.7
107.04960	3.7
108.95593	0.8
109.02885	8.2
115.03922	1.1
121.06535	1.8
123.04408	1.4
127.03928	26.2
144.06534	1.0
145.04968	68.3
146.05360	2.3
147.04417	1.6
147.51306	0.6
158.06029	1.4
160.29395	0.6
162.07646	0.9
163.06032	22.8
164.06427	1.0
180.08748	1.0
193.08847	0.8
200.49728	0.7
222.11287	1.4
223.11659	0.7
251.09160	0.9
278.10269	1.0
280.03012	0.7
289.09232	0.8
296.11362	2.7
356.70880	0.7
475.26450	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	475.2154
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
50.19500	0.4
65.61771	0.4
65.88197	0.4
69.22188	3.0
70.06579	0.7
79.05472	0.5
80.08142	0.4
81.07071	0.6
85.02915	0.6
93.43494	0.4
103.05447	0.5
121.06533	1.6
137.06004	0.7
139.04016	0.5
153.01831	0.8
161.05948	0.8
165.09161	0.7
176.15579	0.4
238.98599	0.4
296.09286	0.7
298.87811	0.5
307.06183	0.6
333.07999	0.8
339.08932	0.5
347.09174	0.5
363.08987	17.7
365.10587	0.9
469.97345	0.4
475.21552	100.0
475.32596	4.1
476.22034	8.3
476.32468	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	475.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10417	0.3
51.15145	0.3
62.60371	0.3
64.48744	0.3
69.03429	0.5
70.06616	0.3
79.01870	0.4
85.02900	0.5
86.09715	0.7
91.05492	0.5
93.07038	0.5
103.05495	0.3
112.43866	0.3
117.03380	0.8
121.06496	2.1
123.04440	0.5
127.03928	0.4
137.05975	0.4
139.03931	1.1
145.02870	1.7
149.05922	0.3
151.03906	3.7
151.05016	0.3
153.01848	0.9
153.05428	0.4
167.03438	0.4
177.05489	4.6
203.05193	0.6
205.04619	1.4
245.04613	0.4
250.08136	1.3
295.18781	3.9
313.07053	0.7
313.19757	2.7
314.13870	2.8
319.82434	0.4
329.06461	0.4
409.60342	0.3
445.14465	0.4
457.24106	0.4
475.14914	3.6
475.15976	3.5
475.25162	100.0
476.16052	0.5
476.25537	6.8
501.68478	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	475.2518
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
60.21588	0.2
65.89233	0.2
69.03439	0.5
69.12738	1.8
72.38774	0.3
78.13466	0.2
79.06116	0.3
85.02917	0.7
86.09710	0.5
89.33579	0.2
91.05501	0.3
93.07056	0.6
97.02881	0.4
98.22607	0.4
103.05492	0.4
108.10105	0.2
112.60741	0.2
117.03392	1.1
121.06504	2.9
137.06050	0.2
139.03882	1.2
144.62094	0.3
145.02875	3.2
147.08151	0.3
148.86911	0.3
149.06018	0.4
151.03931	0.9
153.01878	0.6
163.03908	0.4
177.05475	6.6
201.12506	0.3
203.05278	1.6
205.04774	1.2
245.04430	0.3
250.08241	1.4
254.84904	0.3
295.18823	8.9
295.22177	0.4
296.19125	0.3
309.07928	0.2
311.28555	0.2
312.12793	0.3
313.19876	3.0
314.13873	5.1
332.15326	0.2
388.09778	0.3
457.23578	0.3
475.25159	100.0
476.15793	0.3
476.25558	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	475.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01877	13.1
55.05512	40.0
57.03441	9.0
59.04992	1.9
62.45861	1.3
65.03934	3.6
67.05506	52.5
69.03430	5.8
69.07072	14.5
70.07230	4.0
71.04989	4.6
77.03919	1.7
79.05492	55.4
81.03419	41.8
81.03777	1.0
81.07056	45.1
82.03729	1.6
82.07400	1.4
83.04983	10.5
83.08620	18.7
85.02899	1.7
85.06537	2.3
91.05482	38.0
92.05789	1.6
93.07044	36.1
95.01310	2.6
95.04973	25.0
95.08603	23.4
97.02850	2.2
97.06531	6.7
97.10178	21.8
103.05470	3.5
105.03407	2.0
105.04516	2.1
105.07033	28.7
105.61845	1.4
107.04959	21.6
107.08592	23.8
109.02888	9.5
109.06542	7.3
109.10161	15.1
111.04438	2.1
111.08106	4.5
115.05464	4.5
117.07021	17.3
119.04916	5.4
119.08585	19.9
121.02863	3.7
121.06516	16.0
121.10159	11.5
123.04440	4.3
123.08056	7.0
125.02334	4.7
125.09632	14.3
128.06221	4.6
129.07007	19.0
131.04926	8.3
131.08582	15.7
133.06522	11.1
133.10121	6.9
135.04398	5.1
135.08051	8.0
135.11699	11.4
137.05971	4.2
137.09671	2.6
138.30850	1.5
141.06993	5.3
142.07768	4.2
143.04951	1.7
143.08566	9.4
145.06505	14.5
145.10123	18.3
147.04414	7.5
147.08044	10.9
147.11703	4.4
149.05956	2.3
149.09612	6.3
153.07021	2.8
153.09161	2.5
155.08546	7.3
155.83403	1.4
157.06491	5.7
157.10104	8.7
158.07191	1.4
159.04408	3.6
159.08060	8.8
159.11690	3.2
160.05194	6.8
161.05984	27.8
161.09621	5.6
163.07500	3.2
163.11182	17.6
165.06973	1.9
167.08557	3.9
169.06468	3.1
169.10133	4.4
171.04457	1.3
171.08073	6.5
171.11749	4.4
173.05936	6.6
173.09601	14.4
173.13274	1.7
175.07582	5.4
175.11203	6.0
181.06491	1.8
181.10165	1.3
181.12234	1.4
183.08072	4.7
183.11734	4.8
184.50749	1.5
185.06029	2.8
185.09590	4.0
185.13220	3.8
187.07526	6.3
187.11191	3.8
189.09180	6.3
189.11136	7.3
189.12715	2.1
191.10661	3.9
193.10428	2.1
193.12263	15.3
195.08018	1.5
195.11703	3.8
197.09657	3.6
197.13232	2.7
199.07487	1.6
199.11192	2.6
201.09065	2.3
201.12810	4.3
205.12251	4.4
207.44348	1.6
209.09695	3.9
209.11732	4.2
211.11150	6.4
213.12730	4.8
215.10692	2.4
223.11282	2.0
225.12778	2.8
227.12698	10.0
229.12253	3.0
231.13872	7.0
235.11266	2.7
237.11131	3.1
239.10667	1.9
239.12749	1.8
243.13733	4.4
247.13245	2.0
257.11887	3.0
257.15271	2.6
261.14755	1.9
265.14276	3.1
269.15347	7.9
271.13293	8.3
271.16229	1.5
273.14841	7.1
281.15317	1.4
285.14679	2.9
287.16400	3.7
289.14371	21.6
297.14832	1.7
299.16470	1.8
303.15924	3.7
319.20584	1.7
337.21649	5.5
347.20032	3.3
355.22720	10.0
365.21033	22.4
366.21442	1.9
373.23856	1.9
375.22974	1.6
383.22147	95.7
384.22638	10.8
384.27399	2.1
385.21432	1.6
393.24228	1.7
401.23230	41.2
402.23395	2.9
403.22876	2.0
413.23032	1.7
419.24371	5.7
421.23651	4.4
431.24359	10.7
439.24796	12.3
448.35995	1.5
457.25851	62.3
458.26059	5.6
475.26825	100.0
476.27234	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.3
51.02382	2.6
53.03950	11.4
55.01874	3.4
55.05517	26.5
57.03443	7.1
57.07065	2.4
61.40871	1.1
65.03942	6.3
66.04758	1.2
67.05508	94.8
68.05839	1.3
69.03415	1.6
69.07071	25.0
69.09668	1.0
71.04998	5.6
71.28011	1.2
73.06557	1.2
77.03934	2.7
79.05495	100.0
80.05843	1.7
81.03418	9.8
81.07059	98.5
83.04989	17.2
83.08629	16.2
83.11354	1.0
85.06549	3.4
91.05483	71.3
93.07047	91.4
94.07410	1.2
95.04974	23.5
95.08614	35.7
96.42110	1.0
97.02921	1.3
97.06533	12.4
97.10173	3.5
99.04441	1.2
99.08096	2.3
103.05469	1.7
105.04537	4.1
105.07037	44.2
107.04945	8.2
107.08598	36.7
109.06555	7.7
109.10150	6.1
111.08076	6.0
113.09670	1.8
115.05402	1.6
117.07024	16.3
119.08575	25.5
121.06531	3.7
121.10143	17.1
123.08080	4.5
123.11694	1.9
125.09664	1.1
125.43178	1.1
127.07514	2.4
128.06252	2.9
129.06993	15.8
131.08583	9.8
133.06494	1.7
133.10144	16.0
135.11705	7.7
143.08574	7.8
144.36847	1.1
145.10168	8.3
147.08104	2.2
147.11694	37.8
148.11996	1.5
149.13261	26.8
151.11186	1.4
156.09343	2.0
157.10210	1.2
159.11713	11.0
161.09651	4.6
161.13263	12.4
171.11708	26.2
172.12042	1.2
177.12706	5.6
179.14360	1.5
189.12756	12.0
195.13861	9.0
207.13805	29.6
213.14830	1.1
225.14812	2.9
401.26590	1.2
457.29709	1.3
475.30542	65.8
476.30786	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	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.3
51.49691	2.1
53.03957	13.2
55.01876	6.6
55.05515	35.6
56.45508	2.4
57.03431	5.8
57.07072	5.2
62.60859	2.4
65.03943	7.1
67.05511	95.2
67.50983	2.7
68.05846	2.2
69.07069	21.8
71.04997	3.7
77.03970	3.1
79.05496	95.3
80.05812	3.9
81.03413	14.2
81.07063	100.0
83.04980	17.5
83.08608	17.1
85.06545	6.6
91.04915	3.0
91.05080	1.8
91.05486	73.1
93.07047	96.9
94.07353	3.0
95.04965	27.9
95.08612	43.9
97.06544	11.2
97.10168	3.1
99.08084	4.7
103.05499	3.4
103.68846	2.3
105.04488	3.6
105.07035	40.7
107.04934	5.8
107.08604	41.4
109.06529	7.6
109.10160	8.8
111.08095	8.5
117.07046	16.7
119.08597	26.5
121.06546	4.1
121.10159	16.6
123.08099	9.7
127.07613	3.5
128.06241	4.1
129.06992	13.7
131.08551	11.7
133.10146	17.6
135.11708	9.6
143.08583	9.4
145.10094	12.9
147.08015	2.8
147.11682	29.9
149.13280	24.5
150.14508	2.6
156.06450	2.6
159.11699	14.6
161.09683	3.7
161.13269	11.3
171.11697	24.8
177.12743	5.2
189.12814	10.2
195.13834	7.7
207.13818	22.7
225.14720	3.0
475.30695	53.1
476.30746	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.4
55.01875	4.8
55.05514	28.1
57.03445	6.6
57.07065	1.5
65.03940	4.5
67.05508	93.2
68.05830	1.7
69.03440	1.7
69.07073	26.0
69.17879	6.5
71.04993	5.7
71.08640	1.3
73.06554	2.3
77.03945	2.2
79.05496	100.0
80.05836	2.2
81.03439	8.4
81.07059	96.8
82.07373	1.7
83.04989	16.9
83.08620	15.8
85.06551	5.3
91.05485	67.8
92.05828	1.4
93.07047	98.8
94.07384	1.3
95.04967	22.3
95.08612	33.8
97.02899	1.4
97.06533	13.4
97.10187	3.7
99.08095	3.1
103.05475	1.9
105.04531	4.6
105.07034	47.9
107.04967	6.7
107.08598	38.6
108.56777	1.0
109.06529	8.5
109.10155	5.7
111.08078	6.7
113.09628	1.7
115.05381	2.0
117.07025	15.1
117.07827	1.2
119.08581	22.9
121.06540	2.9
121.10152	19.2
123.08055	6.1
123.11724	1.9
127.07544	2.0
128.06210	3.7
129.07002	15.1
131.08549	10.1
133.10147	14.0
135.08073	2.0
135.11707	7.7
139.11110	1.0
143.08553	8.6
144.96800	1.1
144.98019	1.0
145.10114	7.2
147.08078	1.7
147.11687	31.6
148.12044	1.4
149.13257	26.6
156.09325	1.5
159.11703	12.1
161.09644	4.1
161.13268	12.4
167.14383	1.1
171.11685	23.1
177.12769	4.8
179.14326	1.5
186.15729	1.2
189.12762	10.8
195.13824	6.1
203.48865	0.9
207.13800	28.3
208.14142	1.7
213.02715	1.0
225.14932	3.2
236.41237	1.2
248.94022	1.0
281.17444	1.9
475.30576	54.1
476.30960	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.8
51.02378	2.4
51.12713	0.6
51.73326	0.6
53.03945	8.6
55.01869	4.7
55.05512	27.8
57.03437	5.7
57.07074	2.1
59.04996	1.5
65.03937	5.5
67.05505	91.4
68.05833	2.1
69.03424	1.8
69.07070	24.1
70.55786	1.4
71.04994	5.1
73.06558	2.5
77.03942	2.6
79.05494	100.0
80.05830	1.5
81.03418	11.3
81.07057	99.2
82.07403	1.8
83.04977	17.3
83.08144	1.2
83.08623	18.4
85.02868	0.9
85.06554	4.7
91.05481	70.5
92.05816	1.3
92.10653	0.7
93.03369	0.8
93.07043	95.8
93.45743	0.6
94.07363	1.6
95.04967	20.6
95.08609	35.7
96.37807	0.7
97.06538	12.7
97.10167	3.6
97.19078	0.7
99.08104	3.0
103.05486	1.1
105.04517	4.0
105.07030	45.1
107.04950	8.1
107.08595	39.3
109.06522	7.9
109.10140	6.4
111.08075	6.8
113.06048	0.9
115.05446	1.5
117.07016	16.0
119.05027	0.7
119.08579	24.2
121.06513	4.7
121.10147	16.5
123.08053	5.3
123.11713	2.8
127.07578	1.4
128.06236	2.3
129.07010	13.1
129.07903	1.2
131.08565	10.8
133.06519	1.9
133.10132	16.0
133.11061	1.2
135.08058	2.5
135.11700	8.2
136.12112	0.8
137.09631	1.2
139.11160	1.1
141.07005	0.9
141.09126	1.0
142.07893	0.9
143.08556	7.2
145.10126	8.7
147.08076	3.1
147.11684	34.2
148.11964	0.9
149.13260	25.1
151.11192	1.6
156.09332	0.9
159.11685	9.7
161.09607	4.5
161.13252	11.1
163.11205	1.0
167.14308	0.8
171.11700	24.9
172.11987	1.5
177.12770	5.8
179.14256	1.0
188.80714	0.6
189.12735	11.6
189.14337	0.8
190.13200	0.7
195.13808	9.1
196.14236	0.7
207.11827	1.6
207.13792	30.1
208.14142	1.3
213.14835	1.5
225.14882	2.9
233.15274	1.0
251.16563	1.2
263.16534	1.2
269.17633	1.0
281.17389	1.2
293.56552	0.7
335.25864	6.1
398.19092	0.7
475.30594	65.4
476.31256	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	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03941	8.1
55.01891	3.9
55.05514	27.2
57.03442	6.8
57.07069	3.2
65.03930	4.4
67.05508	88.7
68.05841	1.6
69.03428	1.5
69.07071	25.6
69.67752	2.4
69.68174	1.9
71.04995	5.7
71.08576	0.8
73.06555	1.5
77.03923	2.2
79.05499	93.5
80.05840	1.7
81.03432	9.3
81.07060	100.0
82.07396	1.4
83.04987	14.8
83.08627	16.2
85.06548	4.4
91.05484	67.8
92.05833	0.9
93.07048	91.7
94.07391	1.9
95.04975	22.7
95.08610	35.9
97.02934	1.2
97.06539	11.4
97.10182	3.8
99.08111	2.2
103.05499	1.7
105.04522	5.0
105.07035	42.5
107.04955	8.1
107.08598	37.6
109.06523	6.8
109.10151	6.1
111.08108	4.5
113.09632	1.1
115.05471	1.7
117.07021	14.5
117.92662	0.8
119.08585	23.5
121.06519	4.0
121.10153	17.4
123.08067	6.2
123.11701	2.2
127.07551	1.8
128.06258	2.5
129.07019	13.9
131.08578	9.4
133.10136	14.4
135.08061	1.1
135.11691	7.6
137.09605	0.9
139.07510	1.0
139.11220	1.9
141.09096	1.1
142.07951	1.1
143.08589	7.7
145.10153	8.9
147.08090	2.7
147.11690	29.2
148.12070	1.1
148.60640	0.8
149.13252	24.8
150.13599	0.9
151.11238	1.0
157.10121	1.1
159.11703	10.7
161.09642	4.3
161.13264	10.9
169.10138	0.9
171.11700	24.6
171.13086	1.4
172.11998	1.1
177.12721	4.6
179.14247	1.0
189.12755	11.5
195.13817	6.9
207.13817	26.3
210.68449	0.7
225.14835	2.2
251.16402	1.0
269.17490	1.1
281.17453	1.5
475.30582	49.9
476.30826	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	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.05509	1.4
57.07078	0.7
65.03938	0.5
67.05511	6.1
69.07074	1.2
70.92589	0.6
79.05492	1.5
81.03401	1.2
81.07061	6.9
83.04988	0.9
83.08619	1.0
91.05469	2.3
93.07043	2.5
95.04951	1.6
95.08604	5.3
97.10163	0.8
99.01649	0.7
103.05456	0.5
104.09869	0.5
105.03246	0.5
105.07045	1.7
107.04934	1.0
107.08582	2.1
109.06506	0.7
109.10160	6.9
113.13115	0.6
114.96958	0.5
117.07011	0.7
119.08584	2.7
121.06536	1.4
121.10153	1.0
122.07275	1.7
123.11716	1.4
131.08591	0.7
133.10133	0.6
135.08090	0.6
135.11691	1.0
137.06000	1.7
137.09621	10.0
137.13263	0.8
145.06511	0.8
145.10095	0.6
149.09613	2.5
149.13278	0.8
149.18806	0.5
151.07503	0.7
153.05434	1.4
161.05974	1.0
163.11206	1.2
165.09122	100.0
166.09433	3.8
167.07033	1.0
175.07542	0.5
177.05502	0.8
177.09131	1.7
179.10637	0.6
187.11391	0.6
189.09230	0.8
190.09946	0.9
203.10661	0.5
205.12276	6.5
227.12801	1.1
273.60883	0.6
287.67197	0.7
295.05820	0.6
301.92831	0.6
303.00812	0.5
323.25702	1.1
383.22043	0.9
457.25681	0.8
475.17258	1.0
475.26709	1.6
475.33566	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	476.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02383	0.7
53.03951	3.0
55.01866	0.6
62.38414	0.2
68.45367	0.2
70.61023	0.5
72.86188	0.2
77.03945	0.9
77.71017	0.2
79.05503	0.3
79.45257	0.2
81.03406	0.6
82.24334	0.2
82.64919	0.2
84.76917	0.2
90.91717	0.2
91.05482	11.0
92.05781	0.3
93.07049	15.7
95.04971	4.0
103.05472	14.1
104.05835	0.4
105.04510	1.8
105.07019	0.6
109.52448	0.2
121.06508	100.0
122.06835	2.6
122.09679	0.5
148.03940	0.2
176.03432	0.9
193.05109	0.3
194.04491	4.9
195.04836	0.2
203.03246	0.2
204.02985	0.4
205.04987	0.4
206.04555	0.3
210.03923	0.2
220.06058	2.4
231.03047	0.3
232.02432	0.5
238.03438	0.2
246.04074	1.4
248.05591	0.5
264.05060	0.7
292.04385	0.3
310.05444	0.2
314.10205	0.9
338.05157	1.1
356.06100	2.3
357.05923	0.2
358.09103	0.4
364.06622	0.4
364.24106	0.2
368.11282	0.8
382.07736	0.4
384.10715	1.5
386.12256	0.4
412.10266	1.7
430.11258	1.9
458.10855	7.7
459.11087	0.7
476.11877	17.9
477.12216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
55.05505	7.0
57.03432	5.7
60.62159	3.3
61.02911	4.0
67.05501	3.9
69.03434	45.9
69.07072	8.0
70.06603	19.9
70.92180	6.0
71.04998	4.0
76.02302	3.7
81.03426	16.1
81.07043	3.5
81.45454	3.7
82.98250	3.7
83.08620	13.8
85.02914	54.7
86.09711	14.0
95.08643	4.4
97.02893	61.5
99.04466	24.4
103.03949	37.7
105.07006	5.6
109.02867	23.4
115.03946	20.7
115.66565	3.4
119.08585	5.4
121.06520	12.9
123.04491	4.3
127.03920	67.8
127.04794	5.4
133.10164	6.8
137.06015	3.5
145.02879	3.7
145.04951	40.0
147.04384	7.1
151.07523	4.7
151.43733	4.4
153.01843	26.6
154.02164	13.2
163.06038	15.0
175.06119	8.2
175.09628	5.1
175.14848	15.3
177.05569	9.8
236.95107	3.7
257.00858	13.7
263.13953	8.4
271.08267	5.9
275.01944	9.8
285.00348	8.6
303.01413	100.0
303.04883	11.5
309.85403	4.0
314.13956	4.7
315.04779	7.2
394.53357	4.6
475.32556	28.5
476.32874	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	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03714	0.2
53.03935	1.0
55.39289	0.1
57.18790	0.2
59.47521	0.2
59.51842	0.2
67.32535	0.2
67.47878	0.2
69.40667	1.0
70.87679	0.1
77.03931	0.5
91.05479	3.2
93.07046	6.1
95.01334	0.2
95.04969	1.0
95.34933	0.2
103.05470	4.6
103.06142	0.3
103.74640	0.2
104.05766	0.2
105.04532	0.4
119.04913	0.3
120.06567	0.2
121.06505	100.0
122.06835	2.8
132.06537	0.2
137.05978	1.6
138.09137	28.2
139.09468	0.7
141.24046	0.2
154.08643	0.6
155.56918	0.1
162.07680	0.2
177.03987	0.3
396.73325	0.2
441.29129	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	476.1915
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03931	1.4
53.41861	0.3
57.17354	0.3
57.76366	0.6
69.06403	2.1
69.06815	0.8
81.03424	0.6
85.02905	0.6
89.03921	3.3
91.05484	4.4
93.07049	7.8
93.09212	0.4
95.04955	1.5
98.23328	0.9
103.05469	5.2
117.03380	16.6
118.03673	0.6
121.06506	45.8
122.06824	0.9
134.03653	0.9
135.04398	0.5
145.02846	53.9
146.03178	1.8
149.05984	5.8
163.03868	0.6
177.05469	100.0
178.05809	3.7
186.05521	0.6
194.08167	1.0
226.40395	0.4
300.05792	0.3
314.13855	76.7
315.08569	1.3
315.14212	4.5
331.08109	1.6
344.99832	0.4
410.34451	0.4
475.32602	3.1
476.12415	0.7
476.18887	1.4
476.25937	0.8
476.32880	15.6
477.32938	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	476.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01870	0.6
56.25329	0.5
57.03420	1.0
57.76375	0.6
59.65572	0.6
61.02918	0.6
63.02405	0.6
69.03434	3.5
70.19769	1.1
73.02899	0.6
81.03397	1.6
85.02905	7.4
89.03918	4.3
91.05489	4.2
93.07050	5.4
95.04945	1.3
97.02896	2.6
98.23249	0.6
99.04460	0.7
103.05452	3.8
104.79350	0.5
105.04530	0.7
109.02888	1.0
113.43362	0.5
117.03389	16.6
118.03717	0.6
121.06509	37.8
122.06865	0.9
127.03918	0.9
134.03651	1.5
135.04439	0.7
145.02852	51.5
146.03166	1.4
149.05984	4.3
151.07578	0.7
164.41130	0.5
177.05473	100.0
178.05803	3.2
194.08171	0.6
293.78247	0.6
314.13864	75.8
315.08664	0.9
315.14188	4.5
331.08081	0.9
341.97186	0.6
475.32462	0.8
476.15689	0.7
476.25342	1.4
476.32736	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	476.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56983	0.9
53.03934	1.4
57.03430	1.3
58.43600	1.1
69.03435	3.5
70.67371	1.0
73.02901	1.0
73.74436	1.3
85.02922	7.6
89.03920	4.3
91.05481	5.6
93.07047	7.2
95.04987	1.9
95.08592	1.3
97.02881	1.5
103.05454	4.7
117.03384	15.1
121.06514	35.1
122.06882	1.2
135.04381	1.1
145.02852	50.8
145.05028	1.7
146.03209	1.8
149.06000	6.5
151.07512	1.7
163.03932	1.8
169.60280	1.2
177.05473	100.0
178.05864	3.2
209.07263	1.2
314.13855	80.1
315.14233	5.8
327.36734	1.2
437.15176	1.3
476.24570	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	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01871	3.4
55.05514	36.3
67.05503	3.4
69.03419	6.9
69.07077	20.4
69.67754	5.1
69.68097	1.1
70.06597	2.2
71.04992	1.4
76.14046	1.2
79.05503	1.7
80.63001	1.2
81.03427	20.3
81.07044	2.0
83.08624	100.0
84.08961	2.1
85.02920	6.6
86.09722	3.3
87.08118	2.0
91.05486	1.9
92.73689	1.1
93.07045	5.4
95.04956	1.4
95.08610	2.6
97.02892	13.0
97.06529	1.6
98.05972	1.3
98.23315	1.7
99.04491	2.2
103.65155	1.2
108.04488	5.0
109.02883	21.2
111.08089	36.0
121.06482	2.6
127.03936	17.5
129.09129	17.4
139.07556	7.0
151.07266	1.3
153.01883	1.6
157.08606	25.2
163.07475	1.2
175.09671	95.9
176.10059	2.0
199.09702	2.6
231.06491	6.4
249.07640	4.1
259.11676	2.2
263.92383	1.3
265.10712	7.1
283.11740	21.5
301.12869	13.2
303.04846	1.6
319.13858	2.5
327.14645	1.5
364.17996	1.5
379.28033	1.3
402.42938	1.3
476.32736	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
53.50566	0.5
55.05516	7.4
57.03442	7.5
57.07081	0.8
65.03939	1.5
67.05505	30.9
68.05829	0.5
69.07072	7.5
69.57052	0.8
69.57446	1.6
71.04996	0.9
79.05495	16.1
81.03400	0.6
81.07056	29.7
83.04943	0.9
83.08628	3.1
84.81729	0.5
91.05486	7.6
92.05810	0.6
93.07045	17.6
93.07637	0.9
95.04974	1.3
95.08607	20.4
97.06523	1.1
97.10178	1.3
105.07026	5.5
107.08594	8.2
109.06563	0.9
109.10155	7.0
111.08070	0.6
112.64953	0.5
117.07021	1.6
119.08572	3.9
121.10149	6.4
123.08038	0.7
123.11703	2.1
125.09541	0.6
128.25452	0.5
131.08527	2.3
131.10493	0.5
133.10123	1.8
135.11685	3.1
137.13222	0.6
145.10117	1.5
147.11682	1.2
149.13306	1.4
159.11693	1.4
161.13297	0.9
171.11678	0.5
173.13266	1.0
174.57227	0.5
187.14775	0.6
189.16301	0.5
189.54700	0.5
198.05237	0.8
209.77797	0.6
216.06445	0.6
261.22198	1.1
302.81552	0.5
304.26389	1.1
335.25803	100.0
336.26102	6.9
459.26901	0.5
476.41156	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20312	3.0
55.05507	8.6
56.98278	3.8
58.56561	2.7
62.06095	33.6
67.05508	30.6
69.07069	13.0
79.05488	23.0
81.07062	26.6
83.08615	3.7
83.89206	3.1
91.05486	11.5
93.07053	25.1
95.08624	20.4
97.44386	3.0
98.98457	12.0
105.07048	12.9
107.08603	9.5
109.10149	8.4
119.08583	5.1
121.10148	10.6
131.08542	4.2
133.10121	4.2
149.13312	3.4
190.26131	2.9
216.06445	4.0
261.22168	8.5
304.26254	11.7
334.38541	2.9
335.25848	100.0
336.26096	5.8
458.39813	8.4
476.41138	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01871	1.2
55.05513	9.4
57.03442	7.7
57.07074	1.9
62.06085	1.2
65.03935	1.8
67.05506	44.8
68.05837	0.8
69.03449	0.3
69.07069	7.1
71.04992	1.0
71.06352	0.5
71.06691	0.4
71.08631	0.9
71.09068	0.3
74.57363	0.3
79.05493	22.5
80.05812	0.8
81.03426	0.9
81.07059	36.8
82.07398	1.0
83.04980	1.1
83.08622	4.0
85.06567	1.5
91.05485	13.7
93.07046	28.7
94.07384	0.9
95.04990	2.2
95.08610	26.5
96.08953	0.4
97.06549	1.1
97.10172	2.1
98.06071	0.6
98.98473	0.7
99.08103	0.8
103.05495	0.3
105.04540	0.8
105.06377	0.6
105.07036	8.9
107.04974	0.5
107.08601	11.8
108.08907	0.4
109.06550	1.3
109.10156	7.4
111.00828	0.6
111.08109	0.3
111.11728	0.3
117.07030	3.9
119.07793	0.4
119.08592	5.5
121.06495	0.8
121.10146	7.7
123.08077	1.0
123.11716	3.6
124.01598	1.0
125.09641	1.4
127.03946	0.4
129.05496	0.6
129.07004	0.9
131.08569	7.1
132.08896	0.3
133.10146	3.8
135.08070	0.8
135.11690	5.3
137.09625	0.7
137.13249	1.3
142.65677	0.3
142.97726	0.3
143.08641	0.4
144.68753	0.3
145.06578	0.4
145.10117	3.7
147.11690	3.3
149.09662	0.6
149.13277	3.7
151.11102	0.4
151.14871	0.7
155.08578	0.3
157.10188	0.5
159.11717	3.0
161.13280	1.7
163.11243	0.9
163.14833	1.8
171.11644	0.6
173.13293	2.1
175.14832	1.2
177.16331	0.6
187.14827	1.1
189.11185	0.6
191.14348	0.3
198.05258	0.8
199.14905	0.4
215.14407	0.4
216.06285	0.9
219.44963	0.4
224.10176	0.3
232.11362	0.4
233.15337	0.5
243.21114	2.6
255.04176	0.3
261.22104	3.4
273.14767	0.3
304.26324	2.1
317.24728	1.3
335.25806	100.0
336.26102	8.2
367.22675	1.0
385.23862	0.8
459.27213	1.0
476.27905	0.4
477.28427	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	476.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
58.41671	0.6
61.53265	0.6
65.03915	0.9
66.89788	0.6
67.05511	0.8
70.96973	1.3
79.05064	1.0
79.05499	14.7
81.07137	0.6
91.05483	28.8
95.04989	1.7
103.05465	7.2
105.04576	1.1
105.07034	63.9
106.06567	0.7
106.07347	0.9
107.08589	4.5
133.06493	48.4
134.06824	1.0
135.08057	100.0
136.08418	2.2
145.10420	1.0
151.07536	15.2
167.05266	1.2
181.10234	1.7
198.12793	27.4
199.13156	1.4
279.17783	38.3
280.18158	2.3
423.60873	0.8
468.79315	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	476.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96805	0.8
63.79487	0.7
69.20948	0.7
73.06570	2.2
76.10210	0.8
78.56745	0.7
87.04476	7.5
89.06036	100.0
90.06377	1.3
98.22645	1.9
107.07059	1.5
113.54483	0.7
117.03359	1.0
123.04444	0.8
124.03107	0.9
131.07060	2.7
133.08612	63.5
133.61482	0.7
134.08972	1.3
145.02869	1.2
153.01836	3.3
163.03940	6.8
175.09662	1.7
177.05505	1.7
177.11244	20.8
178.11621	1.1
197.06136	1.1
198.06790	2.9
199.04646	0.8
221.13885	3.2
226.06282	2.5
239.15005	1.0
251.09166	0.8
254.05762	18.5
257.83780	0.7
271.06073	1.7
281.04565	3.0
282.05334	6.6
283.05975	1.5
286.04648	1.1
299.05533	5.2
300.06378	5.6
312.83875	0.8
314.06931	1.6
314.10406	1.9
315.08633	61.7
327.20175	1.1
370.28790	0.8
415.25400	1.4
459.28088	10.3
476.25455	10.9
476.31467	1.2
477.13470	3.8
477.25659	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	477.1029
Annotation	Isoetin 2'-(4''-acetylxyloside)
Peak:m/z	Relative Intensity
51.41711	1.9
51.55548	1.8
61.64132	1.9
69.03438	23.0
69.27302	12.6
77.42980	2.2
85.02935	4.3
97.02891	17.3
109.11080	1.8
115.03942	11.2
121.37415	1.6
134.99908	1.9
137.02361	5.6
153.01866	7.4
165.01942	2.9
175.06076	5.2
179.03317	1.7
185.11070	1.9
201.05458	3.5
229.04956	4.2
257.04617	3.1
285.03864	2.5
303.04996	100.0
304.05405	4.3
312.56641	2.0
315.05008	7.7
342.47766	2.0
394.02554	1.9
399.07303	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	477.1031
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
50.17187	0.3
54.05615	0.4
55.01875	9.6
57.03429	1.7
61.02930	1.9
68.15219	0.3
68.99788	1.0
69.03434	6.5
70.53712	0.9
71.01344	1.2
76.05260	0.4
81.03430	0.6
85.02895	4.9
87.04483	1.0
88.44102	0.4
97.02888	6.2
111.00804	1.6
112.94431	0.4
115.03934	15.4
121.02854	0.9
121.54197	0.4
123.04452	0.4
127.03913	0.8
129.98811	0.4
137.02338	4.7
137.03287	0.6
138.51537	0.4
153.01828	5.3
163.03883	0.9
165.01865	2.4
169.35927	0.4
173.05920	0.6
175.06032	3.3
183.02864	0.8
183.04387	0.6
187.03926	0.7
201.05484	2.5
203.77786	0.4
205.04695	0.4
229.04979	5.2
247.06081	0.9
251.72864	0.5
257.04428	3.3
274.04718	1.1
285.03949	1.6
302.04065	0.5
303.04993	100.0
304.05325	5.9
315.05038	1.6
345.05847	0.6
353.06357	0.6
381.06125	1.4
399.07147	0.9
455.51303	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	477.1394
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
59.49831	0.2
64.86523	0.2
69.03442	0.5
70.06588	1.2
72.08157	0.8
73.02896	0.3
79.05467	0.3
81.03423	0.7
84.08148	0.3
85.02889	0.3
86.09705	1.1
88.09106	0.3
91.05476	0.9
93.07088	0.4
93.45596	0.2
97.02879	0.9
98.23383	0.7
99.04461	0.3
103.05481	0.3
107.08464	0.2
109.02865	0.3
119.40690	0.3
120.08109	1.3
121.02893	0.8
121.06562	0.3
127.03935	0.6
136.07610	0.4
147.04456	0.5
147.46326	0.3
153.01825	1.8
163.03909	0.7
167.07022	0.3
169.06444	0.5
170.07291	0.9
181.06494	0.8
187.03906	0.6
197.06013	1.0
198.06789	4.2
209.06215	0.3
225.05495	0.4
226.06195	3.5
253.04948	0.9
254.05742	23.3
255.06090	1.4
269.04459	0.7
270.05301	0.9
271.05988	2.9
281.04437	4.4
282.05231	11.5
283.05835	1.8
286.04678	2.2
299.05508	7.0
300.06265	8.7
301.06717	0.5
315.08618	100.0
316.08945	5.7
356.14786	0.4
414.30615	0.3
477.13794	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.3
55.01874	17.9
55.05512	76.1
57.03435	15.2
58.89651	2.9
59.04992	3.5
65.03938	5.0
65.51315	3.0
67.05508	74.0
67.05843	5.8
69.03429	13.2
69.07068	24.2
71.04999	5.7
79.05495	85.9
81.03420	59.5
81.07053	61.1
83.02846	3.0
83.04967	13.6
83.08629	48.7
85.02913	6.5
91.05482	56.8
93.07044	37.8
95.04977	42.2
95.08598	31.1
97.06547	7.8
97.10170	58.1
98.22585	7.2
100.01817	3.0
103.05448	2.7
103.12324	2.7
105.07032	45.6
105.07684	4.3
107.04960	46.8
107.08601	41.1
109.06522	12.8
109.10152	17.5
111.04458	3.8
111.08086	8.9
113.05965	4.9
115.05476	6.9
117.07010	22.9
119.04937	5.5
119.08593	29.0
121.06515	41.1
121.10135	15.3
123.08086	13.0
125.09624	42.5
129.07013	16.3
131.04948	7.9
131.08585	27.5
133.06564	15.0
133.10121	13.9
135.08069	12.9
135.11732	6.8
141.07001	8.5
143.08588	10.1
145.06473	24.1
145.10095	14.0
147.04376	5.1
147.08051	13.4
147.11662	16.2
149.09648	8.7
153.09116	8.3
155.08638	7.9
157.06465	5.7
157.10159	16.7
159.08098	9.1
159.11693	6.2
161.05977	5.1
161.09653	5.5
163.11240	5.4
163.48586	2.8
165.12738	3.0
169.10115	4.6
171.08070	8.3
171.10312	3.3
171.11755	7.5
173.09657	8.9
173.13150	3.4
175.11240	9.5
177.12851	3.9
181.10246	4.7
185.09657	6.4
187.11232	3.6
187.14862	4.4
189.09615	4.5
189.11241	27.7
189.12822	6.5
193.12256	36.9
195.11671	4.4
197.09604	5.0
197.13332	5.0
199.11177	9.5
205.12311	5.9
211.11407	4.8
211.13351	12.8
213.12791	4.5
215.14340	6.6
217.12408	4.8
219.13715	3.9
225.12756	4.4
227.12799	10.8
233.15454	20.6
235.13492	3.3
237.12811	5.9
241.14349	4.2
245.15370	5.5
249.14883	7.2
255.14000	4.4
257.15222	3.2
267.15894	11.8
273.14862	20.1
275.16461	4.7
287.16382	4.1
291.15967	5.4
329.21127	3.0
339.23184	9.9
341.21036	3.3
349.21661	19.3
357.24149	14.4
367.22650	55.3
368.23157	3.6
368.75391	3.5
375.25500	3.3
385.23709	100.0
386.23981	5.5
403.24875	28.8
433.26035	5.2
441.26440	10.4
459.27484	58.2
460.28015	6.1
477.28494	55.2
478.28702	5.5
488.03195	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52804	1.6
52.97637	1.4
53.03940	7.1
55.01875	16.8
55.05514	74.8
57.03194	1.8
57.03443	15.0
59.05008	2.4
65.03951	3.9
67.05508	70.4
67.62196	1.5
69.03430	9.6
69.07072	20.0
71.04646	1.9
71.04979	8.6
79.05499	77.6
81.03422	52.4
81.07063	65.6
81.51088	1.9
83.04988	15.6
83.08624	39.2
85.02913	5.8
85.06550	3.9
91.05489	60.4
93.07049	41.6
95.04972	32.7
95.08615	29.5
95.09180	3.2
97.02884	1.7
97.06548	11.8
97.10175	52.3
98.22632	3.9
99.08060	1.9
103.05484	2.4
105.07035	36.0
107.04960	42.6
107.08597	37.1
107.19419	1.5
109.06516	12.9
109.10154	15.9
111.04444	5.0
111.08086	12.0
113.05984	2.7
115.05462	3.1
116.06257	2.0
117.07028	19.8
119.04955	3.1
119.08588	25.4
121.06505	30.3
121.10132	11.7
123.04407	3.8
123.08087	11.3
123.11721	3.5
125.06006	2.8
125.09630	44.8
128.06238	3.6
129.07002	19.9
130.07811	1.6
131.04915	5.8
131.08568	24.7
133.06496	9.4
133.10117	11.1
135.08055	13.8
135.11671	7.8
137.05911	2.0
137.09624	5.5
141.06987	7.1
142.07822	2.9
143.08612	8.8
145.06505	21.5
145.10141	12.6
147.04410	4.6
147.08064	13.5
147.11693	17.3
149.05977	1.9
149.09601	8.7
149.13304	3.5
151.07550	2.2
153.06964	1.5
153.09094	12.8
153.12721	4.7
155.08595	9.1
157.06508	5.2
157.10109	16.4
159.08057	5.0
159.11723	6.1
161.05997	2.8
161.09604	5.3
161.13187	2.3
163.11206	13.9
165.12737	7.2
166.07782	2.4
167.08614	3.1
169.10132	5.9
171.08031	4.4
171.10214	3.1
171.11684	7.3
173.09637	5.7
173.11832	1.9
173.13235	2.0
175.07414	1.7
175.11172	10.1
177.12747	3.5
179.08508	2.0
181.10081	2.7
183.11720	1.8
185.09566	3.2
185.13284	5.4
187.11226	4.5
187.14856	3.1
189.09424	3.2
189.11209	27.5
189.12749	4.3
193.12227	31.6
194.12439	1.8
195.11746	4.2
195.13872	3.8
196.67128	1.7
197.09581	3.4
197.13306	6.6
199.11211	5.5
203.14371	3.2
205.10452	1.9
205.12315	4.7
205.15919	1.7
209.11638	3.2
209.13405	2.1
211.11487	2.4
211.13306	6.5
213.12701	5.5
215.14319	8.8
217.12238	4.7
219.13760	2.3
223.11206	3.0
223.13109	2.6
225.12732	4.4
227.12715	17.7
231.13824	3.9
233.15375	17.2
235.13298	5.5
237.12738	5.3
239.14241	2.0
240.91724	1.8
241.12112	1.9
241.14323	4.7
245.15396	4.2
249.14941	4.2
253.16107	2.2
254.82637	1.7
255.13905	5.7
259.13373	3.7
267.15933	20.6
273.14819	20.6
274.15155	2.3
275.16367	2.1
281.15335	1.9
287.03226	1.7
289.17889	1.7
291.15921	2.9
321.22180	2.5
331.20300	1.9
339.23169	9.6
341.20871	1.9
349.21634	22.5
357.24182	11.0
367.18036	3.0
367.22699	56.0
368.23044	4.4
375.25137	2.4
385.23724	100.0
386.24197	7.8
403.24744	25.1
426.98999	1.9
433.25949	3.4
441.26270	6.6
459.27399	62.3
460.27573	4.7
477.28421	48.2
478.28629	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	478.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31874	0.9
62.33175	0.9
70.06618	1.3
79.05503	3.5
102.79951	1.0
103.05437	1.9
105.07030	100.0
106.07358	3.6
106.80563	0.9
109.60401	1.0
122.09673	37.5
212.82678	1.0
229.03506	1.2
247.75243	1.0
258.65665	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	478.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20960	0.2
53.03943	0.4
55.01869	0.4
55.05504	0.4
56.08338	0.2
57.03423	0.6
57.19301	0.2
61.02917	0.8
63.02390	0.3
65.03906	0.2
68.86108	0.2
69.03429	2.5
70.06590	0.3
71.04981	0.3
71.28921	0.2
72.08137	0.2
73.02922	0.3
79.05486	0.7
81.03425	1.2
82.27442	0.2
84.08137	0.3
85.02910	4.9
86.09708	0.7
87.04453	0.4
89.03411	0.4
89.03920	5.3
89.06038	2.0
90.06348	0.5
91.05481	3.6
91.06406	0.3
95.04947	0.3
95.08610	0.3
97.02893	2.0
99.04469	0.3
107.04960	1.8
107.08576	0.3
109.02878	0.7
109.10135	0.3
110.07159	0.2
117.03381	6.8
117.07039	0.2
119.04951	1.8
119.08572	0.9
120.08129	1.6
123.04409	0.2
125.02330	0.3
127.03925	1.2
133.08580	0.9
134.08946	0.4
135.04419	14.9
136.04665	0.4
137.05978	9.5
137.09541	0.3
138.06320	0.3
139.03914	0.3
145.02847	11.8
145.04901	0.8
146.03197	0.5
147.08069	0.8
153.01825	3.7
153.02945	0.3
154.02213	0.2
154.08632	5.8
159.04466	0.2
159.73862	0.2
163.03902	100.0
164.04228	3.2
165.09143	0.2
176.21324	0.2
180.06573	0.2
187.03903	0.3
199.14926	0.2
199.82623	0.2
263.63882	0.2
274.21048	0.2
286.64587	0.2
303.05154	0.3
316.11786	13.0
317.06454	0.5
317.12189	0.8
325.09076	0.3
334.63058	0.2
441.04318	0.2
473.45251	0.2
478.17050	2.8
478.30106	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	478.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66193	0.3
53.03943	0.7
55.01862	0.4
61.02924	0.4
63.02367	0.4
67.15651	0.3
69.03436	2.6
70.06591	0.6
71.28832	0.4
72.08154	0.4
72.41518	0.4
73.02927	0.4
74.18324	0.4
75.98051	0.3
79.05488	1.1
81.03418	1.5
84.08134	0.9
85.02908	4.5
86.09726	0.9
87.04436	0.4
89.03915	5.3
91.05479	4.6
95.92554	0.3
97.02893	1.4
107.04958	2.2
109.02881	0.8
112.07893	0.4
117.03370	7.1
119.04938	2.5
120.08105	0.9
127.03891	1.3
135.03372	0.6
135.04417	14.8
137.05974	18.5
138.06398	0.4
145.02850	12.1
145.03972	0.8
145.04930	0.8
153.01842	1.1
154.07510	0.2
154.08627	9.0
163.03903	100.0
164.04256	3.3
180.06535	0.6
231.68501	0.4
303.04987	1.6
316.11639	26.3
317.12079	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	478.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
51.08664	0.7
53.03948	4.4
55.01867	2.0
55.05500	1.7
57.57333	0.9
65.03941	0.9
67.05499	2.1
67.63962	0.7
77.03928	2.1
79.05489	3.3
81.03429	1.3
81.07029	1.5
83.28954	0.7
85.60242	0.7
89.03897	3.7
91.05484	21.9
92.05798	0.8
93.07047	22.8
94.07392	0.8
95.04972	6.1
97.10183	1.1
98.22630	1.6
102.04693	5.3
103.04787	1.3
103.05476	23.2
105.03383	1.7
105.04520	2.5
105.07033	6.9
107.01353	0.8
107.04948	4.5
107.08602	1.5
109.06483	0.7
111.17198	0.8
115.05464	1.9
117.03392	3.8
118.04151	1.2
119.04943	8.0
119.08549	0.8
120.05737	1.9
121.06509	100.0
122.03687	1.3
122.06874	3.1
123.04462	0.9
124.05227	4.2
125.09621	0.8
130.04153	17.0
131.04938	10.8
133.02856	16.9
133.06474	6.8
134.03583	0.8
135.04405	9.6
137.04977	1.5
137.05981	22.2
143.04956	1.2
143.06053	1.0
145.02892	4.5
145.06465	1.0
146.03635	7.6
147.04416	26.7
149.05988	17.1
150.05559	1.3
150.06757	25.8
151.03987	1.3
151.07562	1.7
152.08298	1.7
159.04436	2.1
161.02356	3.6
161.05980	21.6
162.06767	64.9
163.03920	15.4
163.07504	7.0
165.05499	2.2
165.06911	0.8
166.06235	0.9
171.04422	1.3
173.02446	1.1
177.05460	14.6
178.04910	5.6
178.06284	3.3
179.07047	1.6
179.08565	2.3
180.07849	2.5
187.03917	12.8
189.06943	0.8
189.11150	0.9
199.03889	6.5
201.05495	1.1
205.06500	1.4
207.08105	3.2
216.91513	0.8
217.04831	1.0
217.06609	1.1
221.06085	1.4
222.06610	0.9
233.06018	2.8
235.07550	4.1
237.09090	1.0
245.06081	1.4
251.07158	1.1
260.26477	0.8
263.07056	4.3
265.08560	0.9
273.05511	1.4
278.05652	1.2
279.06635	1.3
281.08295	1.2
291.06528	13.8
292.06940	0.8
293.05212	0.8
293.07877	3.6
295.09647	0.8
298.10745	15.5
302.04266	2.2
311.09140	10.5
317.06577	7.5
323.09131	41.4
324.09219	1.5
324.12390	2.0
341.10202	38.8
342.10458	1.9
368.23029	1.9
385.23560	0.9
386.24097	3.1
448.17618	2.8
478.18631	64.8
479.12402	1.4
479.18604	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	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.5
55.05521	42.5
55.62067	5.9
56.05844	8.2
57.03431	27.8
60.96156	5.4
67.05511	38.6
69.03432	87.0
69.07062	20.7
71.04983	15.6
71.07536	8.3
79.05497	39.5
81.03414	22.9
81.07065	44.0
82.07362	6.7
83.04980	14.1
83.08627	10.6
85.02906	92.7
87.04468	53.7
88.11246	7.9
91.05487	42.0
93.07045	49.7
95.04964	19.4
95.08615	19.3
97.02901	61.6
97.06539	7.8
97.10169	18.6
98.10521	7.9
105.07032	20.4
107.04945	15.8
107.08599	82.5
109.06534	8.5
109.10131	10.7
115.03941	84.8
117.07009	10.3
119.08579	12.6
121.06504	13.1
121.10162	51.9
123.11716	42.3
125.09598	9.5
127.03922	13.7
129.05513	10.9
130.07376	6.8
131.08575	12.6
131.36734	5.8
133.04977	100.0
133.06519	7.9
135.08083	10.9
135.11652	6.7
142.72952	6.1
145.04953	15.1
145.06476	9.7
145.10063	6.9
147.06337	5.3
149.13252	93.1
150.07610	15.2
153.01819	10.6
153.09160	7.9
159.11574	6.5
159.47177	5.9
163.03880	7.5
163.06000	6.1
167.14304	8.5
181.04953	9.3
189.11183	7.4
193.04971	6.1
229.04860	8.1
234.15544	5.6
241.07147	8.4
274.15076	6.6
303.05002	93.4
350.22025	10.6
368.23019	18.8
385.23618	10.7
386.23938	47.0
404.25290	10.9
404.92813	6.1
416.09564	6.1
442.26904	8.3
460.27728	23.2
478.24704	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03945	0.9
54.26562	0.2
55.01871	0.4
55.05515	12.0
57.03164	0.4
57.03439	8.3
57.07076	1.8
62.06095	0.4
65.03945	1.3
67.05507	27.3
69.07070	16.8
69.85915	1.1
70.07380	0.3
71.04994	0.5
71.08629	0.8
79.05492	7.8
81.07059	27.7
82.07384	0.6
83.04987	1.0
83.08626	8.0
85.06535	0.7
91.05479	4.8
93.06471	0.5
93.07047	8.2
95.04952	0.5
95.08611	20.9
96.08942	0.3
97.06538	1.7
97.10162	3.5
98.98466	0.6
99.08070	0.5
105.07043	3.8
107.08591	3.7
109.10159	7.8
110.10442	0.3
111.08089	1.0
111.11712	0.8
119.08579	3.5
121.10139	3.0
123.11710	2.9
124.01604	0.6
125.09647	0.5
133.10138	2.9
135.11697	1.6
137.13251	1.1
139.11212	0.3
147.11682	2.1
149.13257	0.8
151.14803	0.5
153.12708	0.3
161.13303	1.3
163.14912	0.4
175.14819	0.9
198.05292	0.3
216.06316	0.9
217.38516	0.3
245.22678	0.3
263.23761	1.0
271.96506	0.3
302.19302	0.3
306.27881	2.3
337.27362	100.0
338.27713	5.8
383.30386	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05284	1.9
55.05511	13.1
56.10488	1.7
57.03429	5.1
57.07095	2.5
62.06093	30.3
62.90261	1.8
67.05509	35.1
69.07073	16.8
69.52603	9.9
71.08669	2.0
79.05495	8.0
81.07060	33.6
83.08624	8.3
86.22309	2.3
91.05485	4.4
93.07047	7.9
95.08610	25.5
95.09170	3.0
97.10175	4.5
98.06068	4.5
98.22686	3.6
98.98475	12.3
105.07038	4.1
107.08591	6.9
109.10153	5.8
119.08598	3.0
121.10113	3.0
123.11704	3.2
133.10098	2.8
135.11705	2.9
143.81387	1.8
147.11768	1.7
154.14891	1.6
155.01117	4.0
160.49791	1.8
198.05261	2.6
216.06235	3.4
245.22739	3.8
263.23718	6.0
271.95657	1.9
306.27914	29.3
337.27350	100.0
338.27664	6.3
356.23157	2.3
372.72568	2.0
460.28247	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	478.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44542	0.7
53.03922	1.7
55.01848	1.3
55.05514	5.0
56.05037	4.5
57.03410	3.1
57.07060	1.3
58.06565	0.9
60.04528	88.1
60.04961	2.6
61.02900	1.6
67.05504	10.8
69.03429	7.4
69.07069	5.7
70.02911	0.8
70.06570	1.1
71.04942	1.1
71.08607	1.1
72.04515	4.5
73.02881	2.0
74.06077	5.5
79.05492	5.4
80.05001	1.3
81.03408	3.7
81.07056	10.5
82.06556	1.7
82.11397	0.6
83.04961	1.1
83.08616	4.1
84.04488	3.9
85.02448	1.0
85.02906	14.3
85.10165	0.8
86.06070	3.8
87.04433	1.0
88.02211	0.7
90.05545	1.4
91.03944	0.8
91.05486	3.9
93.07041	4.8
94.06516	1.3
95.04926	1.6
95.08608	10.7
95.71828	0.8
97.02916	6.6
97.06518	0.9
97.10128	2.1
98.05994	1.1
99.04435	1.1
102.05553	5.7
104.07063	2.1
105.06985	2.4
107.08556	3.2
109.02869	1.4
109.06492	1.1
109.10104	3.2
110.06010	1.0
114.67851	0.9
116.07063	1.4
119.08540	2.2
121.10107	2.5
127.03870	2.2
131.08568	1.1
133.10114	2.0
135.11626	0.8
145.04926	1.7
145.10107	0.8
149.28455	0.8
159.29565	0.7
160.09767	0.8
188.09103	1.3
188.57294	1.1
204.08412	0.8
206.10240	3.0
224.11317	5.9
250.25288	1.9
262.25269	2.0
276.85617	0.9
280.26373	10.4
289.51923	0.8
298.27429	13.6
316.28464	100.0
317.06653	0.9
317.28879	4.8
340.28464	2.0
354.23276	0.7
358.29541	5.2
424.30487	1.2
426.79599	0.9
442.31619	2.9
460.33020	4.4
478.33780	36.8
479.34311	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	478.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01886	1.9
55.05514	4.3
55.69086	2.1
56.05033	5.0
60.04527	90.4
61.02927	3.9
66.41537	1.8
67.05511	16.6
69.03446	8.9
69.07072	7.4
69.68870	9.2
70.06595	1.9
72.04520	4.6
74.06080	6.1
78.75543	1.7
79.05499	7.8
81.03426	6.2
81.07048	12.8
83.04982	2.0
83.08634	5.1
84.04526	3.1
85.02901	13.0
86.06059	3.6
91.05463	5.4
93.07040	6.9
95.04987	2.6
95.08618	9.1
97.02899	5.7
97.10189	2.7
98.95316	1.8
102.05555	5.1
104.07109	2.4
105.07063	3.0
107.08594	3.6
109.02825	2.1
121.10139	3.2
122.12132	1.8
125.09595	2.4
132.89555	1.9
133.10091	2.9
204.08646	2.0
206.10213	2.5
224.11366	5.8
280.26260	10.4
298.27518	15.6
316.28467	100.0
317.06546	4.7
317.28708	4.3
358.29391	3.1
442.31561	4.6
460.32849	5.1
478.27536	3.6
478.33731	30.1
501.66193	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	479.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37966	4.1
55.63363	3.4
69.03457	3.4
69.98006	12.9
86.09708	11.1
94.93005	29.7
96.92833	7.4
98.22757	5.3
104.10757	42.8
111.83540	3.7
112.89618	71.1
114.89343	30.3
116.89129	4.4
129.69467	3.5
136.94020	77.8
150.87881	6.0
162.95598	8.1
181.96188	15.0
204.87038	17.0
206.86874	9.4
212.85216	100.0
214.85028	23.4
222.03001	33.4
226.86864	7.2
228.86540	8.0
236.99258	9.6
246.90016	5.8
247.91129	8.0
249.91013	8.0
250.80800	4.5
254.86281	15.1
261.92920	9.3
296.06610	50.9
308.90189	4.8
310.79782	4.0
326.91077	11.1
328.90811	7.1
335.13269	4.5
374.67041	4.1
381.07892	26.8
405.01709	7.3
419.03494	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	479.0819
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.01855	0.3
56.01205	0.3
57.03431	1.3
60.52329	0.3
62.48061	0.4
68.99788	0.8
69.03413	0.4
70.38265	1.0
71.01353	1.9
73.02917	3.2
81.03422	0.4
85.02909	9.7
94.58553	0.3
95.01319	1.3
95.04958	0.4
98.23320	0.5
99.00817	0.8
101.02371	0.7
103.03931	0.9
109.02884	0.8
109.71829	0.3
111.00800	1.0
113.02376	4.6
116.76215	0.4
121.02867	1.3
123.04412	0.3
131.03421	1.8
137.02342	3.9
137.03394	0.5
137.65091	0.3
141.01855	1.5
153.01842	5.1
155.04918	0.5
159.02943	1.7
159.04063	0.3
163.03873	0.3
165.00572	0.5
165.01816	2.7
173.06049	0.6
183.02884	1.3
183.04424	0.7
187.03889	0.4
189.39380	0.4
201.05472	2.1
218.68379	0.4
219.03079	0.4
219.06583	0.4
229.04984	5.2
247.05972	0.6
257.04474	2.8
274.04697	1.0
285.03934	1.8
303.04987	100.0
304.05344	4.8
388.98975	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	479.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02374	0.8
53.00320	0.1
53.03939	0.2
55.01882	0.3
55.05507	0.6
65.03937	0.4
67.05502	1.1
68.99770	0.2
69.03413	0.3
70.62957	0.2
70.63291	0.2
76.00395	0.1
77.03951	0.1
79.01852	5.8
81.03405	0.4
83.04977	1.5
87.00818	0.1
93.03415	0.2
95.04969	3.9
97.02889	1.2
107.01317	1.7
109.02890	1.0
111.04449	1.4
114.99159	0.1
121.02886	0.1
123.00788	0.2
125.02350	3.2
127.03912	1.7
139.03893	0.5
142.07007	0.1
143.03395	6.6
153.01825	100.0
153.02875	5.9
154.02162	2.1
154.03384	0.2
171.02876	1.9
171.04199	0.1
199.04004	0.1
217.04869	0.3
245.04495	0.7
263.05426	0.1
274.04880	0.1
302.04129	0.2
309.06033	22.1
310.06375	0.9
317.06549	1.2
390.89334	0.1
479.08142	1.8
480.08649	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	479.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13948	0.9
53.03950	12.4
55.01876	18.7
57.03430	2.1
65.61717	1.1
67.01852	2.1
67.05515	1.7
67.99664	1.0
69.03432	22.3
69.28764	0.8
70.91196	1.6
71.01361	2.2
71.04996	7.4
73.02925	1.0
75.30787	0.8
79.01852	4.0
81.03423	31.4
83.01347	1.6
83.04977	1.4
85.02899	5.7
94.76729	0.8
95.04972	3.5
97.02885	9.0
99.04462	12.7
101.02377	2.6
105.03394	1.6
105.07021	6.7
107.01307	1.4
107.04921	1.5
109.02884	32.6
111.04488	1.4
117.05505	2.4
121.06513	1.7
122.09661	1.6
123.04422	2.1
125.02376	3.6
127.03917	32.0
128.04291	1.2
133.02863	5.2
135.04390	1.1
136.01546	2.7
139.03857	1.1
143.03438	5.2
143.04347	1.0
145.04991	2.0
147.04440	2.2
149.02333	1.2
150.24649	0.9
151.03935	2.0
153.01836	74.3
153.02913	4.3
154.02141	2.1
159.04451	0.9
161.02299	1.4
162.03171	1.4
163.03934	6.0
165.01863	4.9
171.02875	2.6
173.02359	1.4
175.03934	1.9
177.01833	4.1
178.02554	1.1
179.03384	9.8
181.01265	1.2
181.04967	2.1
187.59665	1.1
190.02632	6.8
191.03381	16.9
191.73328	1.0
192.00522	6.1
193.01337	3.6
196.09644	1.2
199.06044	1.8
201.01802	3.0
203.03401	6.4
205.01230	4.8
205.04932	1.0
207.02885	39.3
208.03285	1.3
217.04919	1.0
218.00122	2.0
218.02116	27.7
219.02890	23.2
221.00824	18.3
221.04236	1.4
223.02357	1.9
229.01320	2.1
231.02890	4.5
233.00832	9.2
233.04434	13.4
235.02383	100.0
236.02675	4.4
237.03915	1.6
238.01070	5.0
239.01842	9.0
245.04532	1.4
246.01694	1.3
247.02379	20.7
248.02625	1.3
253.03485	9.7
257.00800	5.3
259.02448	2.4
261.04001	6.9
263.05524	1.4
275.01868	32.9
276.02167	1.1
277.03442	1.9
278.28662	1.0
279.04941	3.3
285.00333	4.5
289.03424	36.2
290.03629	1.5
291.04926	1.9
293.02881	4.8
303.01334	10.4
307.04443	4.4
309.06055	17.2
317.02789	2.3
321.02463	5.8
335.03943	7.9
353.04953	7.7
379.06509	1.4
391.06143	1.0
423.09167	4.0
429.04523	1.3
447.05804	1.1
451.08810	12.4
458.57281	1.1
479.08206	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75335	0.3
57.03419	1.2
59.14360	0.3
59.59781	0.3
64.53561	0.3
65.03915	0.3
66.46525	0.3
68.99790	0.7
69.23922	1.1
69.24345	1.3
71.01363	1.7
73.02914	2.9
83.01314	0.3
85.02905	9.0
93.03403	0.3
93.65710	0.3
95.01309	0.9
97.02917	0.4
99.00788	0.8
103.03952	0.5
111.00811	0.8
113.02374	3.4
121.02866	1.1
121.42153	0.3
124.73605	0.3
131.03374	2.3
137.02332	2.8
141.01822	1.5
153.01820	4.3
159.02887	1.7
161.06049	0.4
163.03929	0.7
165.01823	2.3
169.17259	0.3
173.05959	0.5
177.31068	0.3
183.02895	0.6
187.03885	0.5
201.05501	2.1
219.06540	0.4
219.95201	0.3
229.04999	4.6
247.06023	0.7
257.04468	3.0
274.04681	1.0
283.57736	0.4
285.04037	1.1
286.04510	0.4
303.04980	100.0
304.05276	6.3
493.51474	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	479.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.2
53.04129	0.1
55.01829	0.2
55.02060	0.1
55.44256	0.1
57.03383	0.2
61.02856	0.4
69.02089	1.0
69.03352	1.8
71.04947	0.2
78.04662	0.1
78.35596	0.1
79.05421	0.1
81.03334	0.6
85.02907	3.5
85.03371	0.2
86.32599	0.1
87.04420	0.2
89.03864	0.2
90.04205	0.1
91.03896	0.2
91.05401	0.3
97.02894	1.7
98.23306	0.2
99.04397	0.2
101.02264	0.1
103.05399	0.1
107.04878	0.2
109.02892	0.6
117.03381	0.5
117.35213	0.1
118.03638	0.1
119.04870	0.2
121.02802	0.2
123.04404	0.1
127.03902	0.8
131.04869	0.2
135.04405	0.8
136.04677	0.2
137.05978	1.0
138.06233	0.3
145.02863	0.8
145.04961	0.6
145.06027	0.1
146.03131	0.3
147.04314	0.2
153.01750	0.4
154.08624	0.5
155.04803	0.2
155.08862	0.2
159.04312	0.1
161.05984	0.2
162.03195	0.2
163.03908	5.1
164.04248	2.2
165.05443	0.1
167.03300	0.2
167.07033	0.1
171.04332	0.3
173.02354	0.7
174.02977	0.2
177.05370	0.2
181.06308	0.1
187.03799	0.3
187.81686	0.1
189.01813	0.1
189.05412	0.2
190.02646	0.7
199.03795	0.3
201.01830	2.0
201.86397	0.1
202.02534	0.4
205.04916	0.2
207.02846	0.1
215.03342	1.1
217.04939	0.5
218.02107	1.4
221.04247	0.2
225.01778	0.4
227.03329	0.7
229.01321	1.0
230.01982	0.5
231.02838	0.2
233.04404	0.2
243.02892	3.0
245.04359	0.3
246.01591	2.5
247.02257	0.2
255.02908	0.2
255.99889	0.1
257.00812	12.4
258.01324	1.0
261.04028	0.6
271.02386	1.5
273.00507	0.1
273.03946	0.6
274.01074	1.0
275.01721	0.2
283.99426	0.2
285.00299	6.8
286.01031	1.9
289.03409	1.5
297.03885	0.2
299.01794	1.0
300.02649	0.3
302.00568	15.5
303.01120	0.6
315.01282	0.1
315.04919	0.2
316.11615	0.6
317.02902	100.0
318.03250	5.2
332.05215	0.1
334.05908	0.1
347.07629	1.4
347.16812	0.3
479.21118	3.5
480.21097	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	479.1188
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03970	0.2
55.01860	0.4
56.03125	0.2
57.03435	0.3
61.02930	0.5
67.09150	0.2
69.03426	0.8
69.53531	1.0
71.01333	0.2
73.02905	0.4
77.35268	0.3
79.05467	0.2
81.03419	0.4
85.02905	1.9
85.53962	0.2
87.04486	0.3
87.96278	0.2
93.07076	0.3
95.04987	0.3
97.02906	1.0
98.23338	0.3
99.04452	0.4
99.27599	0.2
107.05021	0.2
109.02889	0.4
110.03668	0.8
121.02829	1.0
121.06568	1.0
122.06864	0.3
126.03185	0.2
127.03922	0.4
135.04454	0.3
137.02338	1.9
137.05956	1.6
138.06342	0.3
139.03938	0.3
147.04430	0.3
147.07979	0.4
149.05951	0.3
151.03941	0.7
153.01781	1.7
163.03893	0.2
164.07086	0.4
165.01799	0.3
177.05493	0.4
191.06964	0.2
193.01297	0.4
195.93999	0.2
197.08066	0.4
200.04724	0.7
201.05600	0.3
204.02408	0.2
204.04205	0.6
217.05098	0.3
219.02780	0.2
223.09633	0.4
228.04182	2.8
229.04968	2.2
245.04486	1.4
246.05048	0.3
256.03647	0.8
257.04541	1.1
273.03925	0.6
274.04715	5.6
275.05081	0.3
285.00693	0.3
285.03845	1.3
286.07486	0.3
301.03442	12.5
302.04205	54.6
303.04782	4.4
317.06552	100.0
318.06903	5.1
328.12616	0.3
331.04175	0.3
345.09595	0.4
346.10327	0.2
347.10141	0.7
359.07489	0.2
460.20728	0.3
479.11771	9.2
479.18399	0.6
480.12228	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	479.1185
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.01867	0.2
56.75655	0.2
57.03426	0.4
59.96813	0.2
60.39190	0.2
61.02887	0.7
68.99757	0.2
69.03429	2.3
69.08450	1.4
72.38117	0.2
73.02893	0.4
77.35234	0.3
81.03374	0.5
81.25008	0.2
85.02908	4.6
87.04446	0.3
92.02599	0.3
97.02901	1.0
97.03424	0.2
99.04420	0.4
103.03898	0.2
109.02911	0.4
110.03664	0.9
127.03893	1.0
133.08345	0.2
136.01509	0.2
137.02339	2.2
145.04939	0.3
150.03093	0.3
153.01849	1.5
155.01987	0.2
165.01854	0.3
193.01308	0.5
200.04611	0.7
203.03346	0.2
204.04176	0.6
217.04930	0.4
218.05724	0.3
228.04182	3.8
229.04906	1.8
245.04517	1.8
246.05403	0.3
256.03607	0.7
257.04453	1.4
271.21353	0.2
273.03870	1.2
274.04736	5.8
275.05038	0.3
285.03918	1.6
289.07114	0.4
301.03439	15.3
302.04205	62.0
303.04575	3.6
315.05029	0.4
316.05679	0.4
317.06552	100.0
318.06906	5.9
322.50208	0.2
359.07666	0.7
461.10684	0.3
479.11868	22.9
480.12177	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	479.1185
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
62.17485	0.3
62.25713	0.2
69.02823	2.4
69.03380	0.4
77.35250	0.4
81.25002	0.3
85.02901	0.6
94.48985	0.3
110.03636	1.1
126.09792	0.3
126.91645	0.3
130.82657	0.3
137.02318	1.9
153.01836	1.3
193.01349	0.4
200.04706	0.7
204.04158	0.4
212.20702	0.3
217.04848	0.5
228.04190	3.1
229.04916	1.3
245.04399	1.4
246.05379	0.5
256.03696	1.1
257.04483	1.1
273.03876	0.9
274.04715	5.2
285.03922	1.3
301.03452	13.3
302.04214	55.6
303.04578	2.8
313.22223	0.3
317.06561	100.0
318.06903	4.8
347.10034	0.3
479.11618	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	479.119
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
67.05510	0.3
69.03433	0.5
69.13163	1.3
70.32566	0.2
73.92302	0.2
77.35258	0.2
81.07043	0.4
85.02914	0.6
86.09710	1.2
86.19389	0.2
91.05505	0.5
92.02623	0.2
93.07062	0.3
95.04968	0.3
95.08601	0.4
97.02850	0.2
105.07052	0.3
108.04439	0.3
109.02870	0.4
109.05022	0.2
109.10152	0.2
110.03677	0.9
120.08114	0.8
121.10150	0.2
127.03922	0.3
129.62572	0.2
137.02339	1.7
137.05933	0.3
143.11792	0.2
150.03177	0.2
153.01831	1.8
165.01811	0.3
168.46021	0.2
171.11357	0.3
182.10194	0.2
186.59271	0.2
191.71092	0.2
193.01360	0.4
196.09843	0.2
196.41743	0.2
200.04652	0.6
201.12379	0.3
204.04224	0.5
218.05699	0.3
228.04170	2.5
229.04959	1.1
230.05350	0.2
245.04433	1.7
246.05098	0.4
256.03699	0.6
257.04608	1.2
257.07034	0.2
273.03769	0.9
274.04730	5.0
275.04999	0.3
285.03983	1.6
301.03424	12.5
302.04202	51.5
303.04578	3.3
305.05606	0.4
309.18234	0.2
317.06552	100.0
318.06891	5.4
318.12943	0.3
420.99658	0.2
479.11774	3.1
479.18655	0.8
479.32166	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	479.1189
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.13820	0.2
53.03956	0.6
55.01884	0.3
55.05513	0.3
57.03440	0.8
58.37064	0.2
61.02935	2.9
65.40519	0.2
66.86787	0.2
67.05498	0.5
69.03436	2.4
73.02921	0.7
81.03404	1.2
81.07063	0.8
81.47520	0.3
84.04538	0.2
85.02914	6.0
89.11916	0.3
91.03970	1.0
91.05478	0.3
93.03403	0.3
93.07061	0.3
95.04965	0.9
97.02898	2.5
99.04508	0.3
107.04944	0.4
109.02866	1.1
121.02863	0.9
121.06503	0.7
123.04438	2.1
124.01570	0.5
125.02309	0.6
127.03922	1.0
137.02354	2.6
137.05971	0.7
139.03879	0.4
145.04977	0.5
151.03874	1.1
153.01770	0.5
161.06059	0.3
163.03871	0.5
167.03419	3.9
168.03876	0.3
177.05428	0.3
179.03409	1.4
182.15393	0.4
183.04425	0.3
194.84352	0.3
197.04466	0.8
200.04758	0.3
204.04131	0.3
209.04503	0.4
215.07037	1.2
220.00194	0.2
221.07925	0.6
228.04172	1.3
229.04927	0.3
237.07645	1.3
238.16656	0.3
242.05679	0.4
243.06569	3.4
243.57193	0.3
244.06981	0.3
245.04451	0.3
256.03629	0.7
257.04416	0.7
261.07477	0.3
271.06033	1.8
273.03952	0.6
274.04730	4.4
285.04196	0.4
288.06293	0.6
289.07205	0.2
299.05457	1.0
301.03494	3.2
302.04224	15.1
303.04697	1.1
316.05667	0.3
317.06570	100.0
318.06912	5.2
325.07074	0.5
461.16071	0.3
479.11749	3.6
479.18140	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	479.1187
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.83197	0.2
61.02916	0.4
62.03282	0.2
69.03434	1.1
69.05624	1.6
73.50101	0.2
77.35274	0.3
79.05477	0.3
79.32154	0.3
80.00149	0.2
81.03415	0.5
85.02912	2.4
90.58498	0.3
91.05465	0.5
93.07025	0.3
95.04979	0.3
97.02883	1.0
107.05017	0.2
109.02871	0.3
110.03641	0.8
111.86362	0.2
121.02850	1.1
121.06496	1.5
122.06819	0.5
127.03970	0.5
128.81090	0.2
133.02835	0.3
135.04477	0.3
137.02351	2.2
137.05949	1.0
138.06337	0.3
139.03894	0.4
146.05966	0.3
147.04373	0.4
147.08061	0.3
149.05971	0.7
151.03888	0.7
153.01817	1.8
161.06036	0.3
163.03874	0.3
164.07080	0.5
165.07349	0.3
167.07004	0.3
177.05495	0.7
179.03427	0.3
179.07008	0.4
191.06989	0.3
193.01355	0.2
197.08037	0.6
200.04570	0.6
203.03517	0.3
204.04231	0.5
215.03365	0.2
223.09698	0.4
228.04169	2.6
229.04913	1.6
243.77983	0.3
245.04500	1.4
246.05214	0.4
256.03702	0.6
257.04510	1.2
273.03931	1.1
274.04736	4.7
285.00754	0.5
285.03937	1.5
285.06784	0.3
301.03436	13.1
302.04214	54.6
303.04770	4.5
315.04929	0.3
317.06561	100.0
318.06912	5.0
331.04376	0.3
346.09967	0.5
347.10300	0.6
359.07709	0.5
479.11847	9.3
479.18430	0.7
480.12405	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	479.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03942	0.9
55.01870	1.1
55.05510	4.7
56.05843	1.0
57.03434	1.7
57.07079	0.4
58.49077	0.4
62.73556	0.5
65.03941	0.5
67.05507	6.8
68.05832	0.8
69.03430	2.2
69.07053	2.2
71.04991	0.9
71.29833	0.6
73.02932	1.2
75.04478	0.6
79.05495	7.6
80.05833	1.2
81.03413	3.6
81.07060	7.5
82.07405	0.6
83.04980	1.0
83.08638	2.0
84.08973	0.9
85.02885	2.9
85.06528	0.6
91.05479	7.2
92.05795	0.9
93.07047	19.7
94.07384	0.4
95.04968	2.6
95.08611	2.6
96.08913	0.5
97.02904	1.1
97.06545	1.1
97.10178	2.7
97.93085	0.4
98.10511	0.9
105.07031	6.4
107.04950	2.4
107.08599	3.2
108.05252	0.4
108.08967	0.7
109.02892	0.7
109.06512	2.2
109.10178	1.9
111.04443	0.7
111.08065	0.8
117.07026	1.1
119.08582	6.2
121.06530	1.3
121.10145	33.0
122.10515	0.8
123.08096	0.8
125.09666	1.9
126.10015	0.7
127.03929	1.1
129.05537	0.7
129.06998	1.1
131.04953	0.7
131.08583	2.5
133.06528	0.9
133.10133	2.2
135.08069	0.7
135.11728	0.9
137.02330	0.7
137.09656	0.6
139.11162	0.6
145.04987	0.4
145.06456	1.1
145.10126	1.3
147.04422	0.6
147.08076	0.7
147.11729	1.6
149.02342	1.2
149.09637	4.0
151.53273	0.6
153.01849	0.7
153.09094	0.6
159.11685	0.6
163.11288	0.6
165.09102	0.5
165.12761	0.7
167.10732	2.2
175.11133	0.6
177.12758	0.5
181.10077	0.7
189.11223	0.7
191.14464	0.5
193.12329	1.0
194.12669	0.6
203.05376	0.6
215.14235	0.5
216.08722	0.5
219.13686	0.8
229.04967	0.6
233.15443	0.5
234.15932	0.7
243.06119	0.7
244.34853	0.5
245.07974	1.2
261.07458	1.3
274.15094	0.5
275.10995	4.6
293.13910	0.9
299.12503	1.9
303.04999	16.3
304.05353	0.6
310.16537	1.6
311.14905	0.5
317.06970	0.6
317.13672	2.2
351.22528	0.7
368.23254	1.0
369.23584	2.3
385.23734	0.7
386.24161	1.5
387.24475	4.9
405.25433	1.3
406.57867	0.5
423.12723	1.7
443.26947	0.7
461.28448	3.7
479.18900	100.0
479.28745	2.9
480.19333	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	2.7
51.56321	2.1
52.55002	2.1
53.03955	4.8
55.01875	2.5
55.05507	8.1
57.03428	3.6
57.19014	2.3
64.20069	1.9
65.03947	2.4
65.14455	2.1
67.01848	5.0
67.05504	21.4
68.99794	2.4
69.03432	7.3
69.07064	6.2
79.05502	20.9
81.03421	17.6
81.07059	29.0
83.04967	4.1
83.08617	4.7
85.02899	12.7
85.06574	2.0
89.18929	2.2
91.05496	24.3
93.03414	3.5
93.07047	52.2
94.07406	2.5
95.04990	11.2
95.08635	12.4
97.02885	7.2
97.06544	3.8
97.10174	2.2
97.81404	1.8
105.07029	15.8
107.04956	5.0
107.08596	14.5
109.02906	6.8
109.06520	4.8
109.10152	18.2
111.04485	2.7
111.08159	2.4
117.07036	6.1
119.08589	16.8
120.08082	3.2
121.02875	3.4
121.06475	3.6
121.09293	3.9
121.10150	54.0
122.10503	2.4
123.04391	5.4
123.08039	2.6
123.11713	3.9
125.09662	2.8
127.03933	6.3
129.06984	3.5
131.08577	9.3
133.06555	3.0
133.10159	3.2
135.04443	3.1
135.08110	3.2
135.11690	3.6
137.09618	5.9
139.03902	18.6
139.11176	3.3
145.10158	4.0
147.04478	2.0
147.11746	3.3
149.09636	22.4
151.03902	12.6
153.01886	3.0
159.11717	3.4
160.07620	3.2
163.03922	40.9
163.11166	2.2
165.01814	2.5
165.05489	1.9
165.09154	4.5
166.09457	2.3
167.10730	5.1
169.04979	43.4
177.05507	7.3
179.07101	2.9
181.04968	100.0
182.05339	5.2
187.03935	4.7
193.04973	7.5
195.03020	3.0
195.06529	4.5
201.05481	2.6
202.08688	2.6
203.06921	3.2
205.05006	3.5
207.02733	2.2
207.06438	2.3
211.06100	4.6
219.06575	8.5
219.11197	2.2
221.08154	9.7
223.06007	4.4
229.04865	2.9
235.05896	3.9
243.06575	6.3
247.06139	5.2
247.13261	3.7
257.11862	2.9
259.05948	2.8
261.11246	2.8
271.06094	8.2
275.12772	22.5
289.07233	5.2
289.14294	10.1
293.14011	3.8
299.12732	3.9
303.04990	37.5
304.04999	2.4
317.06622	2.6
317.13757	8.1
317.19507	2.7
381.20410	2.4
443.17014	4.7
479.20923	4.5
479.27658	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	479.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01875	6.5
55.05513	19.9
56.05848	2.8
57.03449	8.4
65.03925	1.4
67.05508	30.6
68.05849	2.8
69.03430	6.1
69.07066	11.5
69.43293	2.4
69.43704	5.9
71.05001	3.3
79.05063	2.8
79.05494	33.2
80.05850	3.0
81.03419	10.7
81.07062	45.4
82.07390	2.0
83.04980	4.1
83.08611	9.3
85.02907	6.3
85.06543	4.2
91.05491	30.0
92.05827	2.1
93.07049	62.0
94.07391	4.5
94.80347	1.8
95.04974	9.3
95.08617	13.3
96.08952	2.1
97.02895	3.4
97.06541	4.1
97.10172	11.0
98.10526	3.5
105.07033	19.1
106.07386	3.0
107.04974	10.1
107.08592	18.0
107.97104	1.4
108.05264	1.9
108.08932	2.1
109.06521	10.3
109.10168	4.6
110.19930	1.3
111.04436	2.1
111.08084	3.4
116.04968	1.7
117.07043	6.9
119.08579	29.7
121.06512	9.7
121.10148	100.0
122.10506	2.2
123.07279	1.4
123.08086	5.8
123.11720	3.7
125.09655	7.2
129.07014	4.2
131.08583	11.7
133.06519	3.0
133.10115	7.9
135.08069	5.6
135.11728	2.8
137.09581	2.3
143.08594	3.1
145.06487	1.8
145.10133	3.4
147.08083	3.7
147.11702	8.1
149.09637	15.2
149.13295	3.4
150.09886	1.6
151.11122	3.1
151.82796	1.6
155.08577	2.1
157.10188	3.4
159.08134	1.6
159.11757	3.1
165.12752	4.8
167.08577	1.8
167.10696	6.4
173.13341	2.2
175.11237	2.8
177.12804	2.1
178.26900	1.6
187.11166	1.8
189.09114	1.5
189.11229	3.9
190.11566	1.8
191.14337	2.8
193.12224	7.5
194.12666	2.3
201.13065	1.4
211.13318	3.4
215.14342	1.8
219.13841	4.3
225.12973	1.5
241.14465	1.6
243.15915	3.7
251.11272	2.2
267.15839	2.1
269.12439	1.4
275.11075	2.2
275.15637	2.1
293.13974	2.0
293.17368	2.7
310.16577	5.5
341.24536	1.5
351.22433	3.8
359.25775	2.4
368.23016	2.7
369.23685	9.7
386.24030	3.6
387.24591	14.8
405.25446	4.6
461.28357	12.7
479.19028	35.1
479.30106	12.7
480.19250	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	479.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
60.09423	0.4
62.39577	0.4
67.05495	1.4
69.03426	1.3
70.06590	0.5
71.01352	0.7
73.02914	1.7
79.05497	1.3
81.03420	1.8
81.07053	2.9
82.23176	0.5
85.02917	3.7
86.09727	0.6
91.05486	1.5
93.07052	1.9
95.04984	1.2
97.02887	1.4
105.03390	2.7
105.07032	1.6
107.04957	0.7
107.08582	1.2
109.02904	0.8
109.10191	0.5
110.06026	1.0
113.02385	1.1
115.03939	0.9
119.08569	0.6
121.10202	0.8
123.04486	1.1
123.05304	1.1
124.03722	0.8
131.03442	0.7
131.08562	0.6
133.04961	0.6
137.02364	1.4
141.01837	0.8
145.10091	0.7
149.13280	0.6
151.04773	8.0
152.03192	5.5
153.01843	2.9
165.01851	0.8
169.05884	5.4
187.11099	0.4
201.05528	1.0
216.06134	0.5
229.05070	1.7
257.04495	0.9
272.16476	1.1
273.16806	2.2
273.44724	0.5
302.04260	1.1
303.04999	36.3
304.05328	2.1
314.20871	1.7
315.19522	0.6
316.19244	0.9
317.06647	2.2
317.19394	2.1
332.21915	11.3
333.20349	6.7
334.20944	0.7
351.21466	7.6
416.24142	1.1
434.25177	2.1
444.23718	1.8
461.26254	20.9
462.24713	5.4
479.27310	100.0
480.27652	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	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.5
57.07086	70.2
67.05510	13.6
69.07065	16.1
70.86349	9.6
71.04996	10.2
71.08643	65.6
74.57407	11.1
81.07055	14.4
83.08616	10.4
85.10185	40.9
89.06045	38.4
91.05524	9.3
93.07039	16.4
95.08633	13.6
97.10174	10.3
98.22456	16.5
101.13858	10.6
106.99742	10.1
107.08649	16.4
121.10175	12.9
125.05985	55.6
137.13362	12.6
149.09702	12.5
151.07590	30.9
153.05472	100.0
163.07611	13.6
165.09140	37.2
177.09134	24.3
189.73238	9.6
216.83862	11.6
246.64275	10.6
265.17953	12.5
313.60931	11.2
419.35254	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	23.1
57.07079	95.4
58.84040	3.3
59.05016	2.9
60.26657	2.9
67.05515	17.6
69.07077	39.1
71.08638	78.7
79.05482	16.1
81.07058	48.6
83.04958	15.0
83.08626	27.5
85.10188	51.3
87.04486	3.9
87.13686	2.9
89.49544	2.7
91.05489	6.4
93.07056	39.1
95.08619	27.7
97.06554	9.8
97.10191	20.6
99.08094	4.8
99.11748	8.0
101.06027	35.3
105.07027	3.5
107.08595	31.3
109.06532	14.3
109.10156	16.9
111.08089	7.1
111.11725	11.0
113.09630	3.5
113.13326	5.7
115.07583	9.0
121.10147	22.1
123.11723	11.3
125.06024	4.0
125.09637	6.9
125.13271	4.7
127.07567	97.3
127.14906	3.4
128.07906	3.6
129.05482	100.0
135.11674	20.3
137.13280	4.2
139.07561	9.0
139.11189	4.1
143.07072	11.5
149.13283	17.8
151.14734	4.0
153.12770	4.3
157.08565	5.0
163.11189	4.4
163.14845	14.1
167.10698	4.3
167.14322	5.2
177.16367	7.4
181.12244	4.8
181.15877	5.4
183.69432	3.1
191.17964	6.8
195.13824	4.3
195.17612	4.2
199.13300	6.7
205.15796	3.6
205.19543	5.6
209.19026	5.2
223.16924	3.8
223.20622	5.1
229.13536	3.0
233.22816	3.7
237.22147	4.0
255.19490	3.8
289.28818	14.2
307.29980	12.7
317.28247	3.4
335.29684	3.3
353.30115	3.4
369.62738	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	480.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
55.05516	2.1
57.03439	13.1
61.02921	3.8
69.03429	8.5
70.03738	1.8
70.67019	3.4
70.67342	2.3
71.01348	2.2
73.02921	36.5
85.02892	7.2
87.04461	1.9
97.02884	7.1
111.63919	1.8
115.03926	9.9
122.03671	2.6
128.06236	4.6
129.06999	20.8
131.04884	3.0
131.08557	1.9
133.05002	3.7
137.05983	36.7
137.56306	1.9
145.06532	2.8
150.07599	2.5
151.03859	1.8
157.06505	29.0
161.06052	2.8
163.07523	2.7
174.06792	15.7
175.07536	5.2
177.09088	3.6
189.09097	100.0
207.10167	56.7
208.10471	3.2
219.10371	1.9
274.04303	2.1
301.03397	2.8
302.03940	11.4
303.04520	18.1
317.06552	11.8
318.06888	33.9
348.08121	3.8
480.11932	9.4
485.80994	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	480.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.9
61.02920	1.3
69.03422	3.9
71.31006	1.0
73.02921	11.1
74.29939	0.5
82.77026	0.6
85.02892	3.1
87.04456	0.5
91.05506	1.1
91.81648	0.5
93.07069	0.8
95.08611	1.1
97.02914	2.8
108.04504	0.6
109.02850	0.6
109.06488	0.5
110.03675	1.1
111.08126	0.5
115.03947	3.3
121.06496	1.0
123.04356	0.6
124.77244	0.5
128.06224	1.9
129.07014	12.3
132.06569	1.3
133.04980	0.8
137.02364	1.7
137.05986	4.7
138.02754	0.7
139.07524	0.8
144.97255	0.6
145.06485	2.0
150.07648	3.0
153.01842	3.0
157.06497	13.9
157.22888	0.6
158.07219	0.7
159.04462	0.6
161.06006	1.3
163.07622	0.6
166.02710	0.7
167.03383	0.9
174.06784	7.6
175.03853	0.8
177.05464	0.7
177.09125	1.8
187.07564	0.7
189.09120	50.3
190.09430	2.3
191.10648	0.8
207.10172	51.0
208.10490	1.5
228.04124	2.1
229.04691	3.3
230.05351	1.5
245.04572	0.8
246.04857	1.6
249.75554	0.5
257.04346	1.2
258.04776	1.2
274.04608	3.2
275.05161	4.4
276.05081	0.5
283.15302	1.0
285.03824	1.5
286.04138	1.4
301.03375	6.7
302.04062	38.3
303.04553	52.0
304.04721	3.5
317.06555	39.6
317.10345	1.4
318.06903	100.0
319.07220	7.2
480.12201	5.2
480.19131	2.8
481.20160	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01880	9.3
55.05503	5.3
57.03448	47.7
61.02924	17.2
67.05515	17.0
69.03431	67.4
69.07069	67.0
70.50787	11.5
70.59203	4.2
71.01360	8.3
71.04984	5.0
73.02924	94.4
79.05505	8.4
81.03435	11.7
81.07054	38.6
85.02910	100.0
87.00842	15.3
91.03995	4.7
91.05506	5.7
93.07051	9.5
93.66422	4.2
95.04957	7.8
95.08621	25.5
97.02895	97.5
97.06516	5.0
97.64648	4.0
99.04498	6.6
105.01862	8.4
105.07048	11.0
107.08604	5.8
109.02902	17.5
109.06541	7.1
109.10152	15.2
115.03932	55.4
115.65536	4.2
119.08594	10.2
121.06540	4.8
121.10120	9.7
123.11707	80.0
127.03915	43.2
133.04953	14.4
133.10127	7.6
145.04961	31.0
147.52213	5.1
151.11191	82.8
159.02937	5.3
161.13269	17.6
163.06033	5.3
169.12244	5.3
177.05421	6.7
179.14276	26.2
184.07388	5.0
197.15434	13.2
231.05203	4.3
241.07230	6.1
249.20061	4.2
283.15433	17.0
293.57074	5.3
303.04846	7.4
304.05310	23.9
409.18042	4.2
432.55002	4.7
481.16086	13.3
481.29150	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	480.3087
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.19603	0.4
53.03940	0.5
55.05516	15.2
57.03171	0.6
57.03440	8.4
57.07077	7.6
62.06077	0.5
65.03950	0.5
66.78545	0.4
67.05507	12.8
69.07070	23.3
70.07384	0.5
71.04998	0.4
71.08636	3.8
79.05494	5.9
81.07061	13.8
83.04997	0.8
83.08624	16.1
83.26257	0.4
85.06525	0.7
85.10165	2.4
91.05496	0.9
93.07053	7.7
95.04955	0.5
95.08608	11.9
96.08944	0.6
97.06542	2.7
97.10172	8.8
98.23405	1.3
98.98462	0.6
106.20536	0.4
107.08592	4.6
109.10149	5.3
111.08064	0.6
111.11712	1.9
112.88138	0.4
115.97276	0.4
121.10145	6.2
123.11717	1.8
124.01564	0.5
125.09618	0.9
132.92085	0.5
135.11685	4.8
137.13266	0.6
139.11197	0.6
142.26994	0.4
149.13261	2.7
151.14833	0.7
153.08044	0.5
153.12721	0.6
163.14729	0.5
165.16467	0.4
177.16389	0.5
216.06306	0.9
229.28778	0.6
247.24297	1.2
249.00566	0.4
264.25967	0.4
265.25275	1.6
308.29382	2.9
339.28943	100.0
340.29276	6.8
376.14783	0.4
395.29199	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	480.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
54.38520	0.4
55.05511	12.2
55.41118	0.4
57.03168	0.7
57.03442	7.9
57.07074	7.2
62.06093	0.6
67.05507	10.7
68.05848	0.6
69.07072	19.3
69.80922	0.5
71.08640	2.9
78.83050	0.4
79.05496	4.3
81.07062	11.2
83.04980	0.7
83.08619	12.7
85.10188	1.2
91.05492	1.1
93.07040	5.8
95.08047	1.0
95.08612	11.3
97.06538	1.8
97.10168	7.6
107.08594	4.5
109.10157	5.5
111.08085	0.6
111.11721	2.5
120.60361	0.5
121.10146	5.5
123.11707	1.9
125.09611	1.1
125.13274	1.0
135.11707	4.5
139.11212	0.9
147.00601	0.5
149.13243	1.2
153.12817	0.8
162.93758	0.6
177.16353	0.6
198.05150	0.7
216.06131	0.6
261.15857	0.6
265.25317	1.1
304.05289	0.8
308.29422	2.3
326.20010	0.6
339.28937	100.0
340.29324	6.3
457.13910	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	480.3087
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05516	12.7
55.79334	1.1
56.00665	1.1
57.03432	4.3
57.07080	5.7
62.05793	1.8
62.06096	27.7
65.46379	0.9
67.05502	9.9
69.07072	20.6
69.85509	4.0
71.08638	3.2
79.05499	3.9
81.07068	13.0
83.08622	9.6
88.03992	1.1
93.07051	5.5
95.08617	12.4
97.06507	1.6
97.10172	4.3
98.06060	1.5
98.98479	6.3
100.28140	1.1
107.08610	3.6
109.10161	4.6
111.08051	1.3
111.11753	1.6
121.10172	5.8
123.11706	1.5
124.93788	4.6
125.09702	1.2
131.16360	1.1
135.11705	3.6
142.02626	1.7
142.94809	1.7
149.13281	2.4
155.01054	6.3
201.43420	1.2
214.64041	1.0
216.06364	3.5
241.96344	1.3
247.24283	1.6
265.25339	4.9
304.05219	2.2
308.29440	14.8
309.29880	2.0
339.28943	100.0
340.29227	8.0
395.77640	1.2
419.25485	2.6
462.30026	1.6
480.21741	4.6
480.30200	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	481.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.6
53.00318	0.7
53.03947	9.2
55.01876	0.9
56.01897	0.6
57.03439	2.7
63.90395	0.7
68.99782	0.8
69.03433	21.5
70.06590	1.2
71.01358	2.2
71.04988	1.5
73.02906	1.1
79.05484	1.1
81.03422	100.0
82.03759	1.9
83.01360	1.3
85.02908	9.2
85.89339	0.7
86.66140	0.6
88.36842	0.5
89.03932	0.7
91.05489	1.0
97.02892	3.8
99.04467	5.1
101.02389	1.9
105.03404	1.4
106.06573	1.8
107.04975	1.9
109.02882	39.3
110.03246	1.1
111.04493	0.7
117.03407	1.1
127.03927	11.1
131.04948	1.4
133.02859	3.5
134.06027	1.1
135.04454	1.5
137.02336	1.4
137.06035	1.5
145.02884	1.4
147.04457	2.8
151.03909	7.2
151.05042	1.0
152.07080	3.4
153.01846	6.6
154.02216	0.9
157.04810	0.6
161.02338	5.1
163.03908	10.7
165.01857	2.1
167.03395	4.8
170.08160	2.6
171.04393	0.7
173.02390	2.4
175.03966	2.1
177.01840	1.5
179.03427	3.7
181.01353	1.1
189.01837	11.9
190.02504	0.8
191.03412	13.2
193.01358	2.2
198.55859	0.7
201.01813	3.7
203.03465	2.1
205.01422	1.1
207.02881	10.9
217.01335	20.5
218.01892	1.8
219.02890	14.2
221.00835	4.5
221.04445	1.5
229.01375	1.8
231.02899	2.6
235.02379	35.6
236.02846	0.8
239.01923	2.2
245.00827	15.4
245.23764	0.6
246.01363	1.0
247.02412	7.4
248.02844	0.6
255.02959	0.7
257.00900	2.2
259.02411	1.4
263.01880	13.3
264.02286	1.2
273.00336	13.2
273.03940	2.4
273.40375	0.6
274.01031	1.5
275.01834	10.2
277.03467	0.8
287.01913	0.9
291.01337	8.8
300.99838	6.6
301.03513	8.3
302.00412	1.0
309.79111	0.6
317.08282	1.2
319.00897	4.9
319.04538	3.2
337.01904	38.5
338.02341	2.0
379.02994	1.4
407.02307	4.1
445.03888	1.5
447.22516	0.7
463.05072	17.1
464.05545	1.1
481.06155	95.9
482.06635	7.9
482.16708	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	481.0981
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03939	1.1
57.03436	1.1
61.02927	2.0
65.77747	0.5
66.03910	0.4
67.01903	0.4
68.99787	1.5
69.03439	4.1
71.04980	0.5
71.30999	0.4
73.02927	0.9
81.03405	3.0
85.02435	0.9
85.02914	10.8
90.80788	0.4
91.03947	0.6
97.02901	4.2
99.04450	0.7
109.02876	2.8
111.00809	2.0
111.04431	0.6
115.17173	0.5
121.02828	0.5
127.03912	2.6
137.02365	3.2
137.05989	0.8
138.02670	0.6
139.03838	0.5
145.04950	1.3
147.04382	0.6
153.01839	11.4
163.03976	1.0
165.01825	4.1
166.02625	0.5
169.04965	1.1
177.05438	0.7
179.03406	1.1
183.02855	1.5
189.01782	0.6
189.05544	0.8
193.01331	0.8
203.03333	0.8
207.02943	0.5
207.75809	0.4
217.04951	4.0
219.02829	0.5
227.03320	0.7
229.29390	0.5
235.02299	0.7
240.36043	0.5
245.04445	5.8
247.02501	0.5
273.03885	5.6
274.04202	0.6
290.04150	1.6
301.03455	1.7
319.04492	100.0
320.01453	0.8
320.04794	4.7
337.02094	0.7
469.22208	0.5
498.08197	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	481.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01870	0.5
55.05516	0.6
59.78370	0.3
61.02922	0.6
69.03426	2.8
70.04586	1.0
70.04961	0.5
71.04975	0.8
72.08160	2.6
73.02907	0.4
81.03420	2.5
83.01361	0.4
83.04980	2.1
84.05313	0.6
85.02911	2.5
86.09721	0.8
89.03904	1.0
91.05482	1.7
91.15018	0.4
93.07055	1.0
97.02888	5.2
99.04443	0.8
103.05458	3.2
107.08569	0.6
109.02866	0.9
117.03380	2.7
119.04922	2.9
120.08096	1.3
121.06528	0.7
126.12758	1.0
127.03888	1.1
131.04945	2.7
133.04898	0.5
137.06032	0.4
145.02849	8.2
145.04916	2.5
147.04413	8.3
149.05966	0.9
153.01787	1.1
153.12772	0.6
157.02815	1.0
159.04375	1.0
163.03900	0.5
167.03439	0.6
175.03885	2.1
177.05472	9.3
185.02394	0.6
187.03908	19.2
188.04271	0.9
193.90518	0.4
203.03397	3.3
213.01859	2.0
215.03387	18.7
216.03757	0.7
218.11748	0.8
221.39732	0.4
230.02090	1.9
231.02888	14.2
232.03256	0.8
241.01361	1.1
248.12851	1.1
259.02393	23.3
260.02786	0.9
277.03433	100.0
278.03772	4.8
289.19070	0.7
306.21762	1.6
319.20099	0.5
336.22958	0.8
337.02078	0.7
389.16916	0.4
424.80237	0.4
482.26523	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0981
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03946	0.5
53.87980	0.2
55.01874	0.2
56.55259	0.2
56.55526	0.2
56.61191	0.3
67.01875	0.3
67.05502	0.2
68.99790	1.0
69.03438	1.7
70.06598	0.5
71.04974	0.4
71.27694	0.2
71.28117	0.4
74.81593	0.2
77.82870	0.2
80.44437	0.2
81.03419	2.0
83.04996	0.4
85.02908	2.0
91.05463	0.4
95.04958	0.6
96.23179	0.2
97.02895	1.1
99.04449	0.5
105.03403	0.6
109.02888	2.0
123.00783	0.6
123.04436	5.7
127.03947	1.3
133.02861	4.1
136.07579	0.4
137.02347	0.7
138.02655	0.2
151.03909	10.0
152.04222	0.3
153.01811	1.2
161.02359	0.3
163.03928	0.8
165.01849	0.3
167.03325	0.3
169.01332	34.2
170.01678	0.7
170.05374	0.3
189.01891	0.5
191.03394	0.7
207.02943	0.8
217.01323	1.5
219.02852	0.8
221.04425	0.4
235.02365	1.7
245.00864	1.3
247.02374	0.6
263.01877	0.7
273.00330	1.1
273.04105	0.3
275.01712	0.4
277.03357	0.4
291.01376	0.5
300.99884	0.4
319.04486	100.0
320.04791	6.2
337.01990	1.7
345.09698	0.3
379.02908	0.3
463.04858	0.3
481.06302	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	481.0981
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.06407	0.3
53.03936	1.2
55.01859	1.2
57.03429	1.8
61.02923	2.5
65.03938	0.5
68.64028	0.3
68.99783	1.5
69.03436	9.4
70.06596	0.7
71.01373	0.6
71.04978	1.0
71.31051	0.4
72.08139	0.3
73.02902	1.5
79.01849	1.1
79.05500	0.5
81.03417	3.4
81.07039	0.5
82.44852	0.4
83.01361	0.4
83.04967	0.3
85.02908	17.7
86.03252	0.4
87.04461	1.4
91.03951	0.8
91.05479	0.6
93.03408	0.4
93.07037	0.6
95.04884	0.3
97.02285	0.5
97.02896	7.3
99.04443	1.5
105.07021	0.6
107.01350	0.4
109.02892	3.2
111.00823	2.7
111.04434	0.6
114.14650	0.3
115.03944	0.5
120.08114	0.7
121.02868	0.6
121.06499	0.8
123.04431	0.7
124.05234	0.8
125.02299	0.6
126.03185	0.5
127.03916	4.9
133.05014	0.5
135.04396	0.5
137.02344	1.9
137.05980	0.9
139.03915	2.8
140.04225	0.8
143.03391	1.1
145.02818	0.4
145.04947	2.6
146.05986	1.0
147.04449	0.5
147.06337	0.5
149.02307	0.3
151.03897	0.7
153.01834	25.4
153.02820	0.9
154.02185	0.8
157.04980	1.5
161.05959	0.7
163.03917	0.8
165.01852	3.8
166.02631	0.6
167.03400	12.9
167.04433	0.6
167.07094	0.6
170.04440	1.7
171.04382	0.5
177.05496	1.3
179.03372	2.4
183.02898	1.4
187.03908	0.6
189.05493	1.1
193.01320	0.7
193.06647	0.3
195.02850	0.8
196.38754	0.4
199.03864	0.7
203.03386	0.7
215.03493	0.4
217.05002	4.8
221.04434	0.6
229.04866	0.5
231.02858	0.9
235.02417	0.6
245.04442	5.7
246.04869	0.4
249.03865	0.4
255.02873	1.0
259.02451	0.4
263.05481	0.7
273.03943	5.9
274.04504	0.6
277.03433	1.7
285.49866	0.3
289.06857	0.5
290.04117	1.2
290.07181	0.4
291.04877	0.3
301.03558	2.0
302.04022	0.4
318.03549	0.4
318.06952	0.4
319.04486	100.0
320.04794	5.3
361.05463	0.6
362.18811	0.4
425.61597	0.4
481.09503	1.1
481.16183	1.4
481.22180	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	481.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90313	0.7
55.05500	1.3
61.12473	0.5
67.05496	1.1
69.03413	1.9
69.07053	0.8
69.56170	0.6
69.73352	2.7
72.08166	0.8
79.05485	1.6
81.03394	2.1
81.07040	0.9
83.08609	1.1
85.02908	2.1
86.09712	0.9
91.05479	1.9
93.07049	4.2
95.04996	1.1
97.02889	0.9
100.11283	0.7
105.07034	1.7
106.33086	0.6
107.08567	1.0
109.02880	1.0
109.10097	0.6
111.08082	1.1
117.03361	0.8
119.04965	0.7
119.08570	1.5
120.08102	4.2
121.10152	4.7
127.03898	1.4
128.07149	1.0
130.12694	0.6
130.93333	0.6
131.08548	0.8
136.07581	1.7
137.05966	1.8
145.02873	1.7
146.05992	0.9
147.04395	1.7
149.09651	2.0
153.01817	2.6
167.03348	1.4
168.38606	0.6
175.03679	2.3
177.05493	3.3
177.74352	0.6
182.15355	1.1
185.04208	0.9
186.09201	0.8
188.07066	2.2
199.62491	0.7
203.91641	0.6
205.09630	0.8
210.14847	1.8
245.59190	0.5
249.12389	0.7
267.08429	2.3
311.07571	0.7
319.07254	1.0
329.08383	11.3
337.08832	2.0
339.12628	0.6
379.09885	0.8
387.97079	0.6
419.13068	5.6
421.11145	3.5
481.13110	100.0
482.13507	6.6
482.26608	2.9
484.36118	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	481.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.5
67.05495	14.9
69.03434	13.5
69.18464	10.3
69.18871	21.0
75.74000	4.8
78.25375	4.3
79.05490	16.9
81.03415	18.7
81.07075	4.6
83.04994	5.0
85.02908	12.5
91.05477	18.9
93.07042	78.7
97.02899	10.7
99.04455	4.7
100.07601	5.7
100.11266	15.0
105.07024	16.5
107.08604	5.6
109.02890	9.4
110.09692	5.0
111.08086	12.8
116.06296	4.0
119.08615	35.1
121.10140	100.0
122.10521	6.1
127.03899	9.7
128.07074	5.4
128.10728	6.7
131.08542	6.9
139.11154	6.0
145.02826	6.3
147.04387	9.2
149.09636	44.0
151.95490	3.8
153.01857	21.0
167.03279	6.1
167.10666	21.6
177.05469	5.5
182.15446	14.7
210.14948	26.8
217.01401	4.7
238.14345	7.2
244.20218	7.1
263.02011	4.5
293.13879	9.7
301.10709	4.3
301.64169	4.2
311.15005	7.0
329.08240	8.4
332.49649	5.0
337.21121	6.1
354.23816	12.6
419.12970	6.3
464.31076	7.9
481.06439	4.8
481.12930	89.1
481.33603	7.3
482.13455	6.6
482.26285	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	481.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.2
54.43250	1.4
55.01875	1.8
55.05506	6.0
57.03434	4.2
65.03944	1.6
67.05516	9.8
69.03432	15.7
71.04986	1.4
71.28103	1.9
71.28448	1.6
73.02943	1.9
75.04488	3.0
79.05489	17.6
81.03425	24.0
81.07079	8.5
83.04998	2.0
85.02907	8.4
86.09689	1.7
91.05482	17.5
93.07050	81.7
95.04973	5.8
95.08630	9.1
97.02893	9.4
99.04468	3.6
100.47408	1.5
103.05467	3.6
105.04495	1.7
105.07038	14.4
106.49825	1.4
107.04947	3.4
107.08604	13.5
109.02882	10.4
109.06543	3.1
109.10168	12.1
111.04457	2.8
111.08125	2.4
117.06998	2.2
119.04963	2.5
119.08577	22.2
121.06525	14.9
121.10149	100.0
122.10479	3.2
123.04398	2.5
123.08073	4.2
127.03928	7.2
129.07053	2.0
131.04945	2.5
131.08578	4.1
133.02910	1.3
133.06546	1.8
133.07581	2.1
133.10129	2.6
135.08060	2.2
137.02333	7.8
137.05994	6.4
137.09627	1.9
139.03905	5.4
139.11179	1.6
145.02921	2.7
145.04982	3.4
147.04416	4.5
149.09630	42.0
150.10043	1.6
151.03883	3.7
153.01831	11.3
159.04422	5.5
161.05894	3.0
163.03925	3.0
163.07570	4.2
165.01854	12.4
165.05557	2.2
167.03421	4.9
167.10698	15.9
175.07538	1.6
177.01785	2.1
177.05505	5.4
179.03447	5.6
179.07135	3.2
181.01260	1.8
181.04993	3.3
183.02916	25.6
183.06519	7.0
193.05019	2.5
195.02937	5.5
197.04446	3.5
203.03503	1.7
205.04973	17.9
207.02733	2.3
207.06543	4.8
209.04350	1.7
209.09651	4.5
213.48805	1.3
217.04887	1.5
221.04398	8.7
223.05997	2.7
227.07005	4.4
227.10719	3.2
229.05087	1.7
231.06541	3.0
235.02464	1.6
237.09154	2.4
245.08202	3.0
245.11781	3.7
253.05005	2.7
255.10188	7.0
257.11920	2.0
258.08765	2.0
261.07599	2.5
265.08524	1.7
267.06500	1.5
273.11218	28.6
283.09656	6.1
291.12219	12.8
293.13898	9.8
301.10721	41.0
302.11026	2.6
303.05078	5.8
311.14923	6.0
313.03442	5.9
319.11716	4.5
337.01834	1.8
387.06989	2.0
407.07626	4.8
445.15042	3.3
463.15961	11.7
477.45490	1.6
481.20581	2.8
481.30362	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	481.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.1
56.96542	14.8
58.83545	9.2
59.71048	9.5
67.05493	28.1
69.03437	13.8
69.19214	62.2
79.05497	19.1
79.74890	9.4
81.07048	30.6
83.08591	11.8
91.05483	31.4
93.07020	47.5
95.04948	18.4
95.08617	14.7
105.07031	27.2
107.08585	14.3
109.06515	14.1
110.07159	12.6
119.08591	16.5
121.06516	20.2
121.10150	78.9
149.09627	61.0
151.04741	19.6
153.01802	13.2
171.11649	12.8
235.13309	15.3
319.18768	40.0
334.23367	21.1
353.22635	13.4
379.50250	10.6
452.21143	10.3
463.27731	27.0
481.22903	65.8
481.29907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.89929	1.0
67.05497	3.6
68.32710	1.0
69.07067	2.5
71.29165	1.1
72.13973	1.1
79.05460	1.3
81.03428	1.3
81.07059	2.9
85.02897	1.3
91.05460	2.0
93.07046	4.4
94.11876	1.0
95.04968	1.8
95.08640	1.6
98.26345	0.9
105.07029	1.7
107.08600	4.0
108.18415	1.0
121.06478	1.1
121.10130	1.4
123.04420	1.9
133.10077	1.6
135.11699	2.5
151.04825	1.2
153.01825	1.6
158.59503	1.1
203.05350	3.1
233.15141	1.5
243.04802	2.0
245.04115	1.1
245.06277	5.4
271.04428	1.1
287.03732	17.1
289.05307	34.7
304.05264	1.5
305.05481	1.1
319.18692	1.2
324.38727	1.1
395.20236	3.8
437.21509	23.7
438.21695	2.0
463.26727	1.3
481.20432	100.0
481.28140	5.5
482.20801	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	481.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
59.71212	0.3
67.05511	0.9
69.03429	0.5
69.07074	0.6
71.11640	0.3
71.34886	0.3
79.05496	0.9
81.03454	0.6
81.07068	1.0
85.02882	0.3
91.05510	0.5
93.07055	0.6
95.04974	0.6
100.36729	0.3
109.10171	0.5
110.82064	0.3
123.04485	0.5
123.05320	1.5
123.08152	0.4
124.03745	1.0
133.10170	0.6
137.06015	0.5
145.10147	0.6
151.04785	7.9
152.03203	5.0
153.01863	0.4
162.14999	0.3
169.05882	4.1
229.03751	0.4
303.05289	0.4
305.05594	0.5
316.22342	2.1
319.18604	0.5
334.23553	11.1
335.21753	5.5
342.97650	0.4
349.17395	0.4
353.23041	7.1
354.23471	0.4
418.25760	0.8
436.26608	2.5
446.25317	1.5
463.27792	23.3
464.26776	5.2
481.28867	100.0
482.22467	0.4
482.29160	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	482.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08384	2.0
55.47859	1.9
63.79449	2.0
64.24414	1.8
69.49860	4.9
69.50249	4.4
72.96125	1.9
92.99171	2.2
94.93018	11.5
96.92857	5.9
97.89098	2.3
98.22607	2.3
101.87317	2.1
107.52547	2.4
110.12830	2.2
139.09402	2.2
139.91486	100.0
163.07391	2.4
202.89146	4.2
204.87012	14.5
206.86821	12.2
222.89531	2.1
225.49281	2.2
381.07986	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.96173	0.3
55.01868	0.5
57.03440	0.9
69.03430	6.1
70.06595	0.6
71.05000	0.7
71.30739	0.5
73.02912	0.5
79.05469	0.3
80.05004	0.6
81.03431	4.0
85.02909	7.4
86.98905	0.3
87.04461	0.5
91.05512	0.5
96.04493	0.4
97.02912	2.1
98.06055	0.4
99.04453	1.3
103.05453	0.4
108.04492	3.4
109.02905	2.3
126.05531	0.9
127.03921	7.4
131.04922	0.6
137.02315	0.6
137.05980	1.3
139.03922	0.5
144.06606	0.4
147.04431	0.8
149.06039	0.6
151.03957	1.7
151.07524	0.5
153.01845	3.9
153.02980	0.5
155.03375	0.6
157.02834	1.0
163.03920	0.7
167.03398	1.2
168.03812	0.5
175.03911	1.5
177.05458	0.8
178.05878	0.8
179.03349	0.4
185.02385	0.7
187.03900	4.5
188.78999	0.4
191.03345	1.0
193.04955	0.5
195.08711	0.4
203.03421	2.9
207.49382	0.4
213.01852	3.3
215.03383	3.6
219.02863	0.5
229.01328	1.1
230.02148	0.6
231.00578	0.8
231.02896	16.6
232.03322	0.8
241.01358	2.5
247.02458	1.1
257.00864	0.9
259.02402	27.5
260.02798	1.2
261.03925	0.5
275.01953	1.9
276.02490	0.9
277.03442	100.0
278.03790	5.0
285.00253	0.7
303.01370	21.5
304.01694	1.1
319.04636	0.5
320.05014	0.4
321.02377	2.2
329.02985	0.5
357.02390	1.0
363.03427	2.5
385.05603	1.2
429.04221	0.5
465.06732	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	482.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
57.03440	6.3
65.03931	6.3
69.03428	27.2
81.03418	7.6
83.04999	4.8
85.02916	15.1
87.04477	16.2
97.02900	19.5
97.46893	3.0
97.74539	2.8
98.22556	5.4
104.98622	3.0
107.04964	12.4
111.04435	24.6
115.03925	18.8
123.04417	5.6
132.78482	2.9
133.04971	19.7
135.04471	5.3
139.03915	76.5
153.01862	5.8
153.05458	3.9
163.03905	21.9
166.41493	2.9
171.06532	100.0
177.05725	2.9
180.04178	6.5
181.04990	7.0
183.06583	9.6
195.06552	25.8
213.07578	19.6
221.00906	3.7
237.07607	11.4
249.07666	6.8
267.08670	15.4
297.09665	3.5
309.68811	2.8
321.02371	3.3
322.90350	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	482.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03947	1.1
69.03436	0.9
69.34591	2.8
69.34996	1.1
72.39297	0.5
79.05502	4.0
81.03416	1.5
82.70631	0.5
95.04994	1.7
103.05469	3.0
105.07035	100.0
106.07375	2.9
122.09671	43.7
123.10024	0.7
136.39044	0.5
153.01830	1.8
191.03499	0.7
198.90440	0.7
203.03310	0.8
219.02840	1.1
221.00856	1.0
231.02870	0.7
247.02440	0.9
275.01764	0.7
321.02417	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	34.0
61.02919	10.2
67.05507	14.8
69.03436	59.9
70.05239	24.5
70.05573	16.8
71.05006	16.6
79.05482	19.0
81.07066	94.2
82.75764	11.1
85.02905	47.7
87.04481	32.9
89.73840	11.3
91.05473	25.6
93.07038	100.0
95.08586	22.2
97.02914	67.6
98.22739	11.1
107.08580	56.1
109.02884	13.3
115.03932	99.6
124.04590	11.3
133.04955	86.8
135.11693	70.4
137.13268	23.5
145.02754	18.4
153.01843	18.5
177.05473	35.4
210.83894	11.6
305.65747	14.1
337.87299	13.2
360.68149	12.2
470.92477	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.0
57.03442	4.7
67.05518	9.8
69.03437	21.4
69.07078	5.1
70.06589	3.7
71.04980	11.6
72.08160	30.7
79.05498	12.6
81.02977	5.6
81.03416	51.4
81.07059	25.6
83.04967	8.0
83.08617	13.7
85.02914	25.4
87.04471	8.3
89.03899	7.7
89.10812	4.1
91.03966	3.5
91.05501	19.6
93.07042	18.9
95.04971	12.8
95.08610	11.0
97.02888	12.7
97.06548	3.4
100.24763	3.1
105.07034	13.1
107.04978	3.3
107.08601	12.8
109.10156	3.8
111.08080	7.7
115.03912	19.8
117.03391	25.3
119.04933	16.8
119.08609	10.0
121.10158	3.7
126.12827	10.0
129.07031	6.2
131.08633	4.1
133.04951	14.7
133.10193	7.5
135.11685	13.6
143.15483	4.3
145.02850	65.3
147.04413	64.2
147.11700	10.0
148.04762	3.6
149.05998	6.9
149.09634	4.1
153.01839	5.3
153.12750	76.7
157.10147	7.2
163.03987	4.0
167.07043	5.1
175.11191	13.6
177.05472	72.6
193.12256	40.1
211.13326	33.8
218.11819	7.5
219.02943	3.4
229.14243	3.2
248.12816	4.8
260.52057	3.1
267.15891	21.2
277.03299	4.2
285.16965	85.9
286.17255	3.9
286.39691	3.0
289.19241	10.0
306.21814	12.2
319.20251	3.5
322.98016	3.5
336.22742	6.1
482.19629	6.2
482.26559	100.0
483.27255	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	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78905	1.8
55.05516	2.4
56.26134	1.8
57.03437	5.0
57.06344	1.9
59.13914	1.9
64.84003	1.8
67.05508	4.0
69.29500	11.6
72.08163	30.8
76.95390	1.9
78.46809	1.7
79.05502	5.1
81.03420	17.1
81.07072	5.2
83.04962	2.9
83.08622	4.9
83.79606	1.9
84.14692	1.9
85.02924	7.2
89.03915	6.1
91.05485	15.2
92.75896	2.0
93.07047	5.7
95.04968	5.6
95.08564	2.6
97.02914	3.5
98.28747	2.4
105.07024	3.8
107.08614	2.3
109.02869	3.4
117.03391	27.1
117.19188	1.9
119.04952	16.2
119.08572	2.5
121.06487	1.8
121.10099	2.6
126.12756	9.4
129.07115	2.1
131.08592	3.6
133.10216	3.4
135.04405	2.4
143.15463	2.6
145.02847	60.4
147.04417	64.5
147.11661	2.6
149.06010	6.4
153.01826	14.6
153.12732	3.3
157.10202	2.9
163.03922	5.3
169.04999	3.9
175.11172	5.2
177.05479	79.9
178.05801	2.5
193.12239	15.8
194.53508	2.1
211.13310	13.1
218.11812	11.4
235.14513	2.2
248.12865	6.1
265.15552	2.1
267.16174	3.9
277.03635	1.9
285.16974	45.9
286.17279	2.2
289.19257	6.2
306.21936	8.5
319.20132	3.6
336.22873	8.9
356.80292	2.5
366.26605	2.1
482.26523	100.0
483.26917	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	482.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40973	0.7
65.03957	0.9
69.03444	1.2
71.28575	1.0
72.08160	37.8
78.83118	0.6
81.03418	0.8
84.08129	0.6
85.02917	1.5
89.03922	8.7
89.10786	3.8
91.05492	7.1
93.07037	2.1
97.02914	1.0
107.08598	2.4
109.02884	1.4
113.74060	0.7
117.03386	25.8
119.04100	1.0
119.04946	19.2
119.05762	1.0
126.12797	12.2
134.03647	1.6
135.04440	1.4
135.11723	1.8
136.07527	0.8
137.05969	1.2
139.03960	1.1
143.15459	4.1
145.02853	68.7
146.03230	1.6
147.04416	63.8
148.04787	1.9
149.06006	7.2
153.01834	1.5
169.13411	2.6
177.05476	81.7
178.05841	2.3
178.88614	0.7
186.05490	0.8
216.24971	0.7
218.11777	8.5
231.02884	0.7
235.14296	3.5
248.12833	6.4
265.15646	1.2
285.11966	0.7
289.19162	7.9
303.05014	2.7
304.05344	2.7
305.05600	2.1
306.05737	4.3
306.21786	9.8
319.20139	6.3
332.19818	1.0
336.22849	8.6
446.51462	0.7
482.26529	100.0
483.26788	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	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.9
57.03438	0.8
57.07095	3.1
57.12762	0.6
58.06591	1.3
60.08167	16.2
60.55555	0.7
63.05396	0.6
69.07059	1.2
69.77952	1.2
69.78349	1.5
71.07377	7.2
71.08630	1.9
81.07047	0.9
85.10189	1.2
86.09707	50.5
86.42565	0.6
87.10023	1.0
89.39420	0.6
95.08605	1.8
98.98469	4.5
102.53867	0.6
104.10747	100.0
105.11074	1.7
115.00102	0.6
125.00006	27.5
131.77382	0.6
184.07346	93.0
185.07774	1.3
190.64883	0.7
229.97604	0.6
258.10983	1.1
299.25925	1.7
349.02628	0.6
356.30270	0.7
397.51227	0.6
464.31357	8.3
465.31464	1.2
467.91098	0.6
482.32388	21.6
483.32776	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	482.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
57.07079	60.4
57.15756	1.0
69.07071	6.9
69.50592	2.6
69.51009	2.8
71.08637	54.4
72.08970	1.2
73.06557	2.8
83.08631	4.1
85.10186	31.9
87.04472	3.4
89.06036	100.0
90.06379	1.3
97.10138	1.8
98.23370	1.0
99.11747	7.1
107.07068	3.9
111.11724	2.8
113.13287	5.7
117.09157	2.3
125.13277	1.4
127.14843	4.2
130.08591	1.4
133.08609	55.5
134.08942	2.3
151.09653	1.1
165.40115	0.9
177.11230	20.3
186.72122	1.1
195.12286	4.0
208.10503	0.9
221.13681	1.3
239.14980	3.3
271.26328	2.8
283.17529	28.2
315.29034	2.2
465.37811	14.9
466.38379	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	483.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.9
53.36911	0.6
55.01872	10.0
57.03440	5.3
61.02913	0.7
65.97457	0.6
67.01855	4.3
68.99797	0.9
69.03429	39.6
71.01344	2.2
71.04993	11.4
73.00175	0.6
73.02915	2.2
79.05503	1.9
81.03419	35.1
82.03735	0.8
83.01369	0.8
85.02908	16.1
89.03954	0.7
91.05484	1.9
97.02901	11.4
99.04456	17.7
101.02380	3.2
103.05495	1.4
107.04961	2.3
109.02880	31.4
117.03366	1.3
117.05469	3.8
119.04928	1.8
125.02297	0.6
127.03916	34.2
131.04895	1.1
133.02866	1.7
135.04419	2.2
136.19571	0.7
137.02327	2.1
139.03931	1.3
145.02759	0.9
145.04938	3.6
147.04398	8.3
149.02350	2.5
151.03883	0.7
153.01857	2.7
157.02826	1.8
158.41006	0.8
159.04414	1.2
161.02394	0.7
163.03902	14.8
163.05199	1.1
164.04286	0.8
165.01810	8.6
165.05479	1.4
173.02353	2.4
175.00322	1.2
175.03909	6.3
177.01851	6.6
179.03389	3.6
181.01395	1.8
181.04915	1.4
183.02995	0.9
185.02328	1.4
187.03981	2.6
189.01794	0.7
190.34819	0.6
191.03383	36.6
192.00540	0.7
192.03714	1.4
193.01324	14.1
193.05002	2.3
195.02943	1.4
199.05977	0.9
199.77464	0.7
201.01802	4.2
203.03401	13.9
205.01335	6.0
205.05101	0.7
207.02904	1.9
213.01915	1.4
215.03415	1.3
217.01413	0.9
219.02887	44.0
220.03235	1.0
221.00818	81.9
221.04425	3.3
222.01199	2.8
223.02339	4.4
229.01414	2.1
231.02876	15.3
233.00813	22.3
235.02357	2.1
237.03987	1.5
239.01865	20.3
241.01428	1.0
247.02380	34.7
248.02617	1.4
249.03975	5.0
251.01884	1.1
257.00803	5.5
259.02396	16.4
259.05106	1.4
260.02805	0.8
265.03522	3.0
275.01843	60.5
276.02286	2.4
277.03458	19.2
285.00153	3.2
287.02066	0.9
293.02899	9.6
303.01355	24.2
304.01669	1.6
321.02399	18.7
322.02789	0.8
339.03476	32.8
340.03830	1.2
365.04932	3.8
381.04706	2.8
391.68015	0.7
419.06253	1.6
423.05472	2.9
437.07205	2.4
447.05469	2.2
465.06598	8.7
483.07687	100.0
484.08054	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	483.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.7
53.03950	12.2
55.01878	10.2
55.08331	0.5
55.35197	0.5
57.03437	4.9
61.02931	0.7
61.96761	0.5
67.01871	3.5
69.03432	37.3
70.88389	0.9
71.01327	1.7
71.04998	9.4
73.02896	1.9
74.91857	0.5
78.64099	0.5
79.05473	1.0
81.03418	35.8
83.01324	0.7
83.25079	0.7
85.02904	14.3
89.03914	0.7
91.05432	0.9
97.02892	10.1
99.03852	0.9
99.04456	16.4
101.02392	4.1
103.05447	1.1
107.04935	2.3
108.39877	0.5
109.02882	28.1
117.03378	0.9
117.05486	3.3
119.04912	1.9
123.00723	0.7
127.03919	29.3
133.02821	1.6
135.04370	1.8
137.02332	2.7
139.03885	1.7
145.02811	1.7
145.04958	3.1
147.04404	8.0
149.02371	1.4
153.01836	1.4
157.02820	1.2
159.04390	1.1
161.02361	0.6
163.03911	14.2
164.04251	0.7
165.01862	5.8
165.05441	1.0
173.02365	2.0
175.00275	1.3
175.03903	5.7
175.52563	0.5
177.01837	5.8
179.03383	4.0
181.01315	1.6
181.04984	1.1
183.02937	1.0
185.02377	1.3
187.03970	1.8
191.03392	34.8
192.03748	1.7
193.01320	12.0
193.04991	2.6
194.01805	0.9
195.02885	1.3
199.06035	1.0
201.01793	3.6
203.03401	12.1
204.03761	0.8
205.01320	5.9
205.04971	0.6
207.02946	2.7
211.02396	0.6
213.01826	1.3
215.03346	1.7
217.01295	0.9
218.01949	0.6
219.02885	40.5
220.03206	1.9
221.00816	78.2
221.04424	3.1
222.01205	3.1
223.02341	4.0
229.01286	3.2
231.02875	14.1
232.03214	0.9
233.00807	20.0
234.01282	1.2
235.02373	1.8
239.01880	18.9
240.02116	0.7
241.01311	1.5
247.02382	34.9
248.02702	1.4
249.03885	3.8
251.01839	0.8
257.00833	5.6
259.02374	14.1
260.02686	0.7
265.03482	4.2
275.01865	59.5
276.02328	3.7
277.03436	18.8
285.00134	2.2
293.02881	9.1
303.01361	22.3
304.01770	1.3
321.02426	16.8
322.02682	1.2
339.03455	31.0
340.03763	1.2
365.05008	5.0
381.04626	3.1
417.31384	0.6
419.05801	1.2
423.05585	2.1
437.07162	1.9
447.05377	1.8
465.06671	8.3
466.06610	0.6
483.07693	100.0
484.08054	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	483.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.2
54.00470	1.2
55.01869	4.8
57.03429	4.6
59.54880	1.2
69.03434	25.2
71.01372	1.4
71.04982	4.9
71.27778	1.4
72.15245	1.1
73.02922	1.5
81.02986	2.0
81.03426	24.6
82.83653	1.1
85.02905	11.3
86.28281	1.4
97.02896	8.4
99.04476	10.9
101.02385	1.7
101.10570	1.1
103.05490	1.4
109.02895	18.9
115.03850	1.2
117.76743	1.2
119.04990	1.4
121.06498	4.6
122.06876	2.0
127.03931	20.0
133.02855	1.8
135.04407	2.1
137.02319	1.5
145.02766	1.5
145.04959	2.9
147.04407	6.3
156.48302	1.8
157.02861	3.4
163.03938	8.3
165.01833	2.7
175.03918	6.3
177.01859	2.7
179.03421	2.9
185.02310	2.1
187.03923	4.8
191.03418	20.1
192.03525	1.1
193.01338	9.0
193.05016	2.3
201.01776	3.2
203.03398	15.4
205.01389	3.4
205.24159	1.3
213.01826	4.4
215.03433	3.7
219.02885	22.4
221.00818	50.2
221.04414	3.5
222.01152	2.3
223.02254	2.8
229.01277	2.9
231.02904	26.5
233.00826	9.3
239.01929	9.8
241.01344	4.3
245.46954	1.5
247.02426	19.6
248.02824	1.4
249.03966	4.8
257.00787	4.7
259.02405	38.1
260.02859	1.9
265.03329	3.4
275.01865	35.2
276.02264	3.3
277.03442	100.0
278.03748	4.9
285.00247	2.1
293.02988	7.4
303.01346	26.9
321.02313	12.0
339.03494	24.4
412.94116	1.3
437.07236	1.9
465.06702	9.1
473.62967	1.4
483.07617	54.9
484.08099	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	483.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
51.88543	0.9
53.03948	7.5
55.01881	6.8
57.03433	4.1
65.03964	0.7
69.03434	34.4
70.03783	1.1
71.01366	2.1
71.04227	1.3
71.04996	2.2
73.02922	1.3
79.01875	1.6
79.05483	1.5
81.03421	81.5
82.35725	0.8
83.01352	1.6
85.02904	12.7
91.05487	1.9
97.02892	8.6
99.04461	7.5
101.02403	2.2
102.89501	0.7
105.07030	4.7
106.07342	1.1
107.04969	1.9
109.02884	33.0
110.89890	0.9
117.03398	0.8
119.04969	2.2
122.09659	2.1
123.04409	1.0
125.02365	2.1
127.03918	17.8
131.04950	1.5
135.04440	2.3
137.02368	2.6
137.06001	3.4
138.06325	1.7
139.03897	1.4
143.03410	2.1
145.02898	1.6
145.04933	1.0
147.04402	5.5
149.02362	1.7
151.03912	0.8
151.07603	1.2
153.01828	24.5
153.02733	1.2
154.02161	1.4
157.02815	1.3
159.04483	1.6
163.03915	9.5
165.01836	6.1
165.05513	1.2
167.06961	0.7
173.02423	2.2
175.03926	7.1
177.01822	4.5
177.05464	0.9
179.03395	3.1
181.08598	2.3
182.08960	1.9
187.03894	2.4
191.03401	28.0
193.01329	9.7
193.04991	2.9
195.02916	1.4
199.06075	2.7
201.01860	3.3
203.03397	15.1
205.01396	4.5
207.02924	2.5
213.01898	1.6
215.03459	2.2
219.02896	36.6
220.03255	1.8
221.00824	46.0
221.04497	3.9
222.01231	2.2
223.02354	4.7
229.01346	2.3
230.01837	0.8
231.02896	18.1
233.00822	14.5
235.02371	1.9
237.03931	1.3
239.01865	16.0
240.02348	1.0
241.01337	1.4
241.79747	0.9
247.02379	29.1
248.02675	1.4
249.03914	5.5
251.01830	1.6
257.00787	4.8
259.02383	18.6
260.02744	2.0
261.04080	0.9
265.03506	3.0
275.01859	46.9
276.02286	2.7
277.03442	24.4
278.03732	2.4
285.00345	2.3
293.02917	7.3
302.97937	1.1
303.01358	19.9
303.04660	1.5
304.01669	1.1
321.02408	12.7
339.03479	47.1
340.03809	2.7
409.04086	1.2
419.06314	4.2
437.07324	1.0
447.05643	1.6
465.06628	17.2
466.07166	1.4
483.07660	100.0
484.08109	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	483.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01871	11.0
57.03441	3.7
62.06992	0.6
63.02390	0.8
65.03965	1.1
68.99777	1.0
69.03091	1.0
69.03436	14.3
71.01347	2.3
71.04984	2.1
73.02914	3.3
81.03420	79.7
82.03754	1.9
83.01326	1.5
85.02434	1.2
85.02908	18.4
89.03935	1.2
91.05476	2.2
93.80191	0.7
97.02896	6.5
99.04438	4.9
101.02379	5.6
103.05448	2.9
105.20805	0.7
107.04971	1.0
108.74668	0.7
109.02885	53.4
113.02368	1.5
119.01295	1.8
119.04961	3.7
123.00756	0.9
125.02302	0.8
127.03922	20.7
130.58475	0.7
131.04903	6.3
135.04425	1.8
137.02327	12.5
139.03886	1.4
141.01828	1.5
145.02885	1.7
145.04961	3.2
147.04414	21.4
153.01846	4.9
157.02855	2.3
159.04417	7.8
163.03896	5.8
165.01837	19.9
165.05450	1.7
166.02264	1.0
167.03413	0.9
173.02336	0.9
175.00304	4.6
175.03920	23.3
177.01871	3.7
177.05518	5.6
179.03392	2.4
181.01292	1.0
185.02409	0.8
187.03905	2.3
191.03406	15.1
191.05003	1.3
192.00555	0.9
192.04086	0.8
193.01331	34.8
193.05013	4.9
194.01779	1.8
195.02956	0.9
196.00008	0.9
200.54256	0.7
201.01826	4.1
203.03401	50.0
204.03748	1.3
205.01349	2.8
205.04947	3.7
207.02884	2.0
207.90469	0.8
209.00740	1.7
211.02374	1.7
219.02895	20.9
220.03311	1.2
221.00833	100.0
221.04280	27.2
221.99260	0.8
222.01157	4.4
222.04778	1.1
229.01431	1.2
231.02904	27.2
232.03108	1.0
233.00813	2.7
233.36667	0.7
239.01857	1.9
247.02382	23.2
248.02762	1.0
249.03957	24.6
259.02310	1.2
262.85193	0.8
265.03421	3.1
275.01868	23.0
276.02228	1.2
277.03375	2.6
293.02924	16.4
294.03262	0.8
303.01456	3.7
321.02411	56.1
322.02759	2.9
339.03482	37.8
340.03864	1.6
391.02972	1.2
437.07208	2.9
447.05499	1.3
465.06555	3.2
483.07675	44.3
484.08054	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	483.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03952	10.4
55.01877	10.5
55.05503	0.7
57.03439	5.5
61.02919	0.8
63.61306	0.5
67.01855	2.1
69.03436	38.0
69.07041	0.5
70.03764	0.7
71.01366	3.1
71.04997	9.7
72.03978	0.5
73.02940	2.8
77.03940	0.6
79.05494	2.8
81.03423	39.9
81.07026	1.2
83.01331	1.5
83.04959	0.9
85.02911	33.4
86.03281	0.7
88.70159	0.6
91.05470	3.1
93.07011	0.7
95.04969	0.9
95.08620	0.7
97.02284	0.7
97.02898	10.0
98.22629	1.5
99.03831	1.0
99.04456	14.7
101.02367	2.9
103.05479	1.2
107.04956	2.6
107.08546	0.6
109.02885	31.2
109.10122	0.7
110.03223	1.0
111.04456	1.0
117.03378	1.9
117.05473	2.3
119.04951	2.9
121.02881	0.8
121.06552	0.9
121.10146	0.8
123.00762	0.6
127.03924	38.7
128.04253	0.9
129.03297	0.6
131.04890	1.3
133.02856	1.6
133.10181	0.6
135.04430	3.7
137.02309	3.9
139.03876	1.2
141.01816	0.9
145.02838	2.5
145.04974	2.0
147.04425	9.8
148.04744	0.8
149.02368	3.3
151.03915	0.8
152.75323	0.5
153.01843	2.7
157.02885	1.3
159.04361	0.9
161.02359	0.9
161.09641	0.9
163.02524	0.9
163.03908	18.6
164.04349	0.6
165.01826	7.6
165.05463	1.6
166.02089	0.6
173.02347	2.9
175.00281	1.6
175.03882	5.6
177.01845	7.8
177.05499	1.4
179.03346	4.2
181.01291	2.3
181.04939	1.2
183.02934	1.1
185.02509	0.7
187.03883	1.9
191.03403	50.1
192.03796	1.7
193.01340	14.8
193.04941	3.5
195.02916	1.8
199.06023	1.6
201.01799	5.0
203.03412	10.7
204.03899	0.7
205.01302	6.8
207.02942	2.6
209.04376	1.5
211.02435	0.9
213.01888	1.8
215.03493	1.3
217.01392	0.9
219.02893	50.6
220.03265	2.2
221.00827	100.0
221.04411	3.1
222.01164	4.4
223.02382	5.8
229.01418	2.9
230.02240	0.5
231.00587	1.2
231.02875	13.7
233.00819	27.8
234.01266	1.2
235.02351	2.4
237.03928	1.0
239.01872	22.9
240.02351	1.3
241.01364	1.1
247.02394	38.0
248.02838	2.5
249.03944	4.6
251.01883	1.4
257.00830	6.4
259.02399	17.4
260.02747	0.8
265.03473	5.1
275.01868	70.6
276.02386	3.3
277.00336	0.8
277.03427	17.6
278.03781	1.1
281.03238	0.6
285.00397	3.5
293.02930	10.2
294.03278	0.7
303.01361	26.3
304.01794	1.1
321.02423	16.0
322.02698	1.0
335.04086	0.6
339.03488	36.6
340.03848	2.1
343.18460	0.6
365.05042	8.9
366.05325	0.8
381.04544	5.4
419.05850	1.6
423.05731	4.0
437.07239	1.9
439.08664	0.7
447.05505	1.7
465.06766	7.1
481.38083	0.6
483.07724	98.0
484.08075	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	483.1137
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
51.02378	1.0
53.03935	1.0
55.05503	0.9
56.19618	0.7
56.51645	0.7
57.03435	0.8
67.01858	3.1
69.03432	3.9
69.93363	1.4
69.93772	2.5
70.06592	0.9
76.91788	0.7
79.01863	5.1
81.03423	7.9
83.04992	0.8
85.02914	4.3
97.02915	7.8
99.04473	0.9
107.01351	1.9
109.02883	4.8
110.07131	0.8
123.04440	2.1
125.02336	4.0
127.03931	8.6
143.03401	6.2
145.02846	1.6
145.05005	1.7
147.04430	1.7
151.03893	8.6
153.01834	100.0
153.02884	5.1
154.02193	2.3
156.95622	0.7
163.03918	2.0
169.04980	25.1
171.02899	9.9
177.05508	1.0
193.04961	3.9
211.06030	3.5
259.06055	2.4
260.76523	0.9
263.79025	0.8
272.77975	0.7
277.07166	1.7
295.13675	0.7
297.06018	9.8
315.07074	3.3
345.54742	0.8
407.69467	0.9
483.26801	1.2
501.96207	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	483.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02377	0.9
53.00311	0.1
55.01876	0.4
65.03933	0.2
69.03433	0.3
71.05005	0.2
71.30090	0.2
79.01856	6.7
79.05489	0.2
80.02179	0.1
81.07057	0.3
83.04969	0.2
91.05485	1.6
93.07060	0.3
94.04179	0.2
95.04999	0.3
95.08624	0.2
97.02900	1.3
105.07024	0.3
106.04245	0.1
107.01317	1.5
107.04950	0.6
107.08564	0.2
109.02875	0.2
109.06506	0.4
115.05486	0.2
117.07030	0.2
119.04965	0.7
119.08565	0.2
121.06495	0.3
122.03671	0.6
123.00777	0.2
125.02361	3.1
128.06210	0.5
129.07024	1.5
131.04922	0.3
131.08510	0.2
135.08031	0.2
136.05168	0.2
137.05980	6.6
138.06319	0.2
139.03947	0.2
143.03403	7.4
145.06569	0.2
146.03636	0.2
147.04446	0.2
149.05954	0.2
151.03934	0.8
151.07545	2.7
153.01834	100.0
153.02899	6.1
154.02158	2.0
157.06511	1.0
161.05968	0.6
161.09610	0.2
163.07515	0.4
165.06999	1.4
167.08568	0.2
174.06757	0.7
175.07585	0.4
178.07790	0.8
179.08571	0.2
181.06503	0.5
182.07266	0.4
186.14836	0.1
189.09106	2.2
191.08580	0.2
192.09380	0.2
193.06482	0.8
193.10103	1.0
195.08115	0.2
196.08920	0.2
197.05943	0.2
199.07515	0.1
202.07715	0.2
203.08604	0.3
206.07256	0.2
209.05934	0.2
210.06810	1.1
211.07471	0.2
213.06868	0.2
219.08113	0.2
220.08887	0.2
221.06033	1.1
221.09511	1.2
223.07474	0.2
224.08339	0.6
225.09146	1.2
227.07109	0.4
237.05557	0.4
238.06183	0.3
239.07132	0.2
239.10667	0.2
241.08539	0.2
243.10364	0.1
249.09172	0.5
252.07799	0.4
253.08662	0.7
253.12230	2.1
254.12424	0.1
255.06625	0.4
255.10153	0.2
261.07629	0.2
267.10150	1.1
269.07932	0.4
270.09070	0.2
281.11630	0.7
285.08350	0.2
285.11215	2.1
286.11557	0.2
289.07086	0.3
301.07025	0.6
313.07001	0.2
313.14362	1.7
331.15497	0.4
340.13016	0.2
341.10126	0.8
359.11157	0.5
415.15308	0.1
465.15872	0.1
483.22192	0.3
492.53543	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	483.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02377	0.6
51.33952	0.1
53.00314	0.2
53.03933	0.1
55.01870	0.2
58.41941	0.1
59.66003	0.1
64.06808	0.1
65.03960	0.2
66.04720	0.1
68.99777	0.2
69.03430	0.2
70.08749	0.1
70.45091	0.2
70.45457	0.2
71.04991	0.1
79.01854	6.6
79.05482	0.2
80.02193	0.1
81.07072	0.2
87.00810	0.3
91.05477	1.7
92.41498	0.1
93.07069	0.1
94.04195	0.3
95.04956	0.2
97.02886	1.2
103.05445	0.2
105.07041	0.3
107.01328	1.5
107.04947	0.8
109.02912	0.2
109.06522	0.3
115.05459	0.2
119.04942	0.7
121.06507	0.1
122.03638	0.7
123.00793	0.3
125.02348	2.9
128.06232	0.4
129.07016	1.6
131.04927	0.2
131.08574	0.2
133.06497	0.1
136.05231	0.2
137.05980	5.9
138.06308	0.2
143.03401	6.7
144.03896	0.1
145.06509	0.2
149.05920	0.2
151.03917	0.4
151.07542	2.8
152.06238	0.1
153.01831	100.0
153.02878	5.7
154.02159	2.3
154.03397	0.1
157.06482	0.9
160.05179	0.1
161.06041	0.6
161.09624	0.4
163.07526	0.5
165.06987	1.4
167.04936	0.1
167.07204	0.1
167.08623	0.2
174.06752	0.7
175.07532	0.4
178.07782	0.8
179.08597	0.2
181.06535	0.4
182.07256	0.4
183.07980	0.1
187.07581	0.1
189.09103	2.0
192.09331	0.3
193.06487	0.8
193.10124	0.8
194.07298	0.1
195.08043	0.3
196.08861	0.1
197.06036	0.2
197.09660	0.2
202.07809	0.2
203.08627	0.3
205.06560	0.1
206.07329	0.2
207.08115	0.2
209.05951	0.3
210.06767	0.8
211.07535	0.3
220.08881	0.2
221.06038	1.1
221.09592	1.4
222.06787	0.1
223.07550	0.2
224.08336	0.5
225.05588	0.1
225.09081	1.0
227.07036	0.3
227.10741	0.1
231.08128	0.1
235.07524	0.2
237.05389	0.2
237.09160	0.1
238.06281	0.2
239.06877	0.1
239.10719	0.2
240.07744	0.1
241.05054	0.1
241.08554	0.2
249.09138	0.7
252.07906	0.4
253.08578	0.7
253.12248	2.0
255.06534	0.3
255.09966	0.1
257.08151	0.1
261.07541	0.1
263.10687	0.1
265.08670	0.1
266.09476	0.1
267.10150	0.9
269.08051	0.4
270.08948	0.2
272.10583	0.2
281.11780	0.8
285.11234	1.8
286.11780	0.1
287.12866	0.1
289.06851	0.2
297.04153	0.2
301.07028	0.8
313.07111	0.2
313.10696	0.2
313.14301	1.6
329.10220	0.1
331.11938	0.2
331.15302	0.7
341.10135	0.7
359.11148	0.7
483.16489	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	483.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
57.07070	0.8
57.37316	0.5
67.05500	0.9
67.53530	0.5
69.03410	0.9
69.44109	1.1
69.44511	2.0
69.94096	0.5
81.03408	0.6
81.07052	0.7
83.08620	0.9
85.02886	0.7
91.05480	0.8
93.07041	0.6
100.11243	0.8
120.64769	0.5
123.04452	0.5
132.43935	0.5
145.02827	0.6
153.01862	0.5
156.13861	1.8
163.03967	0.9
173.51620	0.6
175.04231	0.5
184.13274	1.2
203.05276	1.0
221.00885	0.9
258.54715	0.6
259.08038	0.7
300.26498	1.0
308.52142	0.6
309.03680	2.7
321.16751	2.6
339.03491	0.7
383.58026	0.5
410.30121	0.6
419.60852	0.5
483.09842	8.6
483.22009	100.0
484.22272	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	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90990	0.3
69.45081	1.6
71.17215	0.3
81.07043	0.5
84.82693	0.3
85.02913	0.3
93.07034	0.5
98.22639	0.3
119.08580	0.4
128.97098	0.3
129.06981	0.3
135.11836	0.3
151.03874	0.5
153.01807	0.6
275.19827	0.3
309.03610	0.9
321.16638	1.8
483.09558	2.3
483.21988	100.0
484.22345	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	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55868	10.2
55.05505	46.9
55.31511	11.0
57.07080	17.4
57.72334	13.2
67.05504	15.1
67.93804	13.9
69.07073	43.8
69.19009	65.7
79.05490	17.2
81.07039	14.0
82.35944	13.0
83.08630	25.8
85.10155	12.8
89.06007	19.7
90.31573	11.1
93.07034	12.5
95.08602	18.2
97.10184	20.4
98.98431	12.2
105.07009	16.0
173.13354	15.8
208.11021	12.3
311.25729	100.0
483.34674	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	484.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
57.03439	0.5
65.03933	1.3
67.05511	3.5
69.03436	2.8
69.33916	1.2
69.34325	1.4
71.82231	0.4
73.02898	0.6
77.03936	0.4
79.01874	0.7
79.05495	1.8
81.03427	2.2
81.07048	1.0
82.03793	0.5
83.78358	0.4
85.02917	2.5
91.05486	0.7
92.04996	0.8
93.05779	1.0
94.06594	0.5
95.04981	0.9
96.08141	1.4
97.02896	2.0
97.24709	0.4
98.23392	0.8
99.04446	0.5
102.81387	0.4
106.06560	5.1
108.08124	100.0
109.02885	1.2
109.08449	2.1
117.05724	0.4
121.06505	2.4
123.06819	4.9
124.07598	17.8
125.02344	0.8
127.03943	0.7
130.21443	0.4
134.06026	11.2
136.07587	17.0
137.08345	0.6
138.09198	0.8
143.03394	0.6
152.07076	56.2
153.01836	13.0
153.02901	0.7
153.05487	2.2
153.07437	1.6
154.08658	1.8
170.08125	4.6
171.02879	0.5
204.03780	0.5
221.00887	0.5
222.01057	0.6
259.08481	0.6
260.09186	0.5
296.11044	0.4
297.06021	0.8
314.12347	57.3
315.12579	2.3
322.09406	0.6
332.13132	0.6
400.20187	0.6
434.05597	0.4
466.13364	2.8
484.08154	0.9
484.14487	11.1
485.14911	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	484.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
52.44971	0.7
53.03944	2.9
65.03951	4.0
67.05509	2.1
69.03434	4.0
69.35976	1.3
69.36388	3.8
71.05009	1.2
73.02921	1.3
79.01866	4.1
79.05500	10.9
80.05029	1.4
81.03420	8.8
81.05812	2.8
81.07037	1.2
83.05007	1.3
85.02916	4.2
92.04993	7.5
94.06570	1.4
95.04966	2.4
96.08138	6.6
97.02895	2.6
99.04436	1.0
105.07045	17.4
106.06566	63.5
106.07333	5.3
107.01365	1.1
107.04976	1.3
107.06915	1.1
107.07676	1.1
108.08125	32.5
109.02874	4.6
109.05267	1.7
110.03293	0.8
121.06516	2.8
122.06033	3.1
122.09674	6.5
123.06835	8.7
123.10007	2.0
124.07595	40.2
125.02366	3.0
127.03914	4.2
134.06024	34.8
136.06682	1.1
136.07570	4.1
137.08391	3.4
138.09146	0.9
140.22874	0.8
143.03418	3.7
152.07069	98.8
153.01833	100.0
153.02844	5.5
153.07433	2.8
154.02167	2.3
155.91315	0.9
170.08130	69.7
171.02933	3.8
171.08508	1.7
219.02924	0.9
222.01198	1.4
230.08119	1.1
242.08156	1.2
244.05974	1.2
258.07602	7.1
259.08417	13.8
260.09183	3.9
262.33356	0.9
273.06342	2.2
274.07193	5.6
286.07086	5.7
291.04858	1.0
297.06006	4.6
304.08237	5.4
314.12244	5.1
315.07095	2.2
332.13510	1.8
340.03787	1.5
448.12674	0.9
466.13474	46.8
467.13705	3.4
484.08545	2.4
484.14481	61.5
485.15085	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	484.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78491	0.7
51.02372	0.9
53.03950	1.1
67.91326	0.6
68.99966	2.7
69.00387	4.4
69.03426	3.9
79.01849	2.2
81.03410	7.9
83.52765	0.8
85.02898	2.9
97.02909	6.2
107.01308	1.8
109.02895	5.0
118.06613	0.8
121.06525	2.6
123.04476	1.3
125.02339	3.8
127.03924	7.3
127.12984	0.7
135.04388	0.8
136.07573	0.9
143.03406	4.7
145.04968	1.5
146.06003	2.2
153.01836	100.0
153.02777	4.0
154.02180	2.5
171.02892	13.0
177.01865	2.3
193.04985	0.7
217.96007	0.8
237.04111	0.8
297.06088	11.6
298.06680	0.7
315.07086	12.6
446.00272	0.7
484.37991	0.8
485.14212	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	484.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00639	0.4
70.08958	0.5
70.28495	0.5
76.27658	0.4
81.07072	0.5
82.44886	0.5
83.64498	0.5
93.07027	1.2
120.55377	0.4
123.04409	0.9
163.03799	0.5
206.73853	0.6
213.41713	0.5
351.14197	4.3
378.15192	2.2
467.90991	0.6
484.19434	100.0
485.19894	8.5
485.30930	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	484.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.6
55.05520	9.0
67.05502	4.1
79.05487	16.7
81.03414	5.3
81.07069	7.8
84.08198	3.9
86.09752	7.5
91.05482	34.2
93.07056	73.2
95.05001	7.8
97.02884	6.4
98.22584	9.2
105.04593	3.8
105.07051	12.9
107.08604	100.0
107.09298	6.9
107.87065	3.4
108.08917	3.8
108.54018	3.5
109.06561	6.0
119.08597	6.0
127.03889	4.9
134.31650	3.7
135.11716	50.0
145.02844	5.4
146.50436	3.7
152.20201	3.3
153.01843	68.5
153.02960	6.2
156.34636	3.6
163.03876	5.3
171.02887	8.5
177.05482	8.2
297.06049	6.5
315.07175	11.5
484.25446	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	484.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.1
60.80235	0.4
68.75838	0.5
69.04306	3.7
70.06574	1.6
72.08157	10.2
75.09203	0.9
84.08134	1.4
86.09691	1.4
89.03414	0.7
89.03913	9.6
104.10742	1.1
105.24006	0.6
106.24917	0.5
107.04967	1.3
112.11248	3.7
117.03380	23.1
129.13879	2.5
134.03615	1.1
135.04420	10.6
145.02846	60.1
146.03160	1.3
146.16502	2.1
149.05968	5.5
155.11768	1.9
162.05496	0.7
162.43382	0.5
163.03903	72.0
164.04213	1.6
177.05466	66.7
178.05820	1.8
184.07385	1.2
219.11292	1.5
220.09683	51.8
221.10005	1.9
234.11250	15.3
237.12221	0.7
248.12909	4.5
248.70934	0.5
251.13951	0.6
264.83221	0.5
291.17087	2.8
296.28442	0.5
304.20193	0.6
305.05731	0.7
305.18555	1.5
306.05820	0.8
308.19678	8.0
322.21243	11.7
323.21548	0.8
466.23099	1.1
467.21710	2.0
484.24423	100.0
485.24710	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	484.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18466	0.6
58.06596	2.1
61.77266	0.6
63.02361	0.6
70.06587	1.9
70.90135	0.6
70.90459	0.9
72.08157	16.8
73.35265	0.6
75.09229	1.0
84.08161	1.4
89.03919	8.8
91.05463	1.5
98.06062	0.6
104.65018	0.6
107.04946	1.5
112.11246	5.5
116.70341	0.6
117.03381	25.5
129.13905	3.7
134.03673	1.2
135.04416	9.2
139.03954	1.3
145.02849	68.2
146.03249	1.5
146.16528	2.3
147.04449	1.0
149.05980	6.4
155.11819	2.4
160.09769	0.6
162.05495	0.8
163.03908	71.1
164.04280	2.3
172.14432	0.9
177.05473	64.4
178.05836	1.5
184.07286	0.7
186.05658	0.7
216.12239	0.8
220.09689	55.5
221.10030	2.1
234.11244	12.3
237.12396	1.3
245.57381	0.6
248.12872	2.7
249.63332	0.6
250.47688	0.6
276.02243	1.0
291.17007	2.7
293.74612	0.6
303.05005	1.7
304.05389	2.7
305.18658	1.7
308.19690	9.7
309.19821	0.8
322.21280	11.5
387.70258	0.6
401.11508	0.6
466.08289	0.9
466.23740	1.5
467.22015	1.5
467.40231	0.6
484.10251	3.4
484.24438	100.0
485.24762	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	484.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
58.06582	1.5
63.02379	0.7
68.90759	0.4
70.06590	1.1
71.04993	0.4
72.08158	13.8
75.09255	1.0
79.05461	0.5
80.05005	1.3
84.08139	1.6
85.02897	0.8
89.03912	8.1
91.05482	0.8
93.07024	0.6
95.04954	1.2
97.02856	0.6
107.04953	0.9
109.10190	0.5
112.11238	3.8
117.03383	21.8
117.39174	0.4
125.09638	1.0
129.13867	2.5
134.03613	1.0
135.04420	9.3
135.05405	0.8
138.09140	0.9
143.10667	0.8
145.02850	62.1
146.03188	1.5
146.16533	1.9
147.04451	1.0
149.05975	5.4
155.11800	1.8
157.11671	0.4
163.03912	69.0
164.04253	1.8
164.07132	0.5
172.14499	1.0
177.05476	67.3
178.05811	1.8
178.41382	0.5
216.12344	0.6
219.11319	1.3
220.09689	45.8
221.10085	1.6
229.35591	0.5
234.11255	18.5
235.11549	0.8
237.12378	0.6
248.12830	4.7
287.15060	0.5
290.18811	0.6
291.16998	3.0
304.20319	0.6
305.18622	1.9
308.19653	8.1
322.21265	12.8
323.21664	1.0
334.17676	0.5
337.43787	0.5
466.23499	1.6
467.21860	1.2
484.24451	100.0
485.24765	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41882	0.8
55.05513	2.5
57.07082	26.6
58.45189	0.9
67.05526	1.3
69.07063	2.0
71.08638	24.4
73.06573	5.1
75.66891	0.9
81.98791	0.8
83.08624	3.3
85.10189	21.1
87.04485	4.0
89.06038	100.0
91.05490	1.2
97.10152	0.9
99.11742	2.9
107.07088	3.6
107.08622	1.1
109.10182	1.1
117.09119	4.3
118.04348	0.9
130.08652	1.3
133.08606	42.6
141.16408	4.8
144.31084	0.9
161.11797	1.2
166.26402	0.9
175.09531	1.0
177.11241	14.4
179.46846	1.0
185.19016	4.2
188.96634	0.9
221.13847	2.6
226.21638	1.1
229.21660	7.3
239.14944	2.4
273.24243	4.1
309.19791	0.9
327.20221	6.0
379.30093	1.0
423.32474	0.9
467.35938	7.3
490.97809	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	485.093
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
58.06601	1.6
69.03436	3.1
70.06647	2.0
70.27155	1.5
71.00410	1.7
72.08178	2.3
74.19433	1.6
79.01856	6.3
81.03426	9.0
84.25117	1.4
85.02911	4.0
94.17947	1.5
97.02889	4.8
98.13802	1.6
107.01286	2.2
108.74546	1.6
109.02879	5.5
118.97887	1.5
125.02361	4.4
127.03915	5.9
139.03958	1.7
143.03426	6.2
143.04955	1.9
144.08040	7.6
153.01845	100.0
153.02908	6.2
154.02203	3.8
171.02898	8.1
177.05513	2.2
212.77565	1.7
261.07678	3.2
297.06076	6.1
315.07364	2.2
322.03360	2.3
323.11618	2.0
332.04291	1.7
335.31030	1.6
341.89532	1.7
485.12598	22.7
485.18848	1.9
486.12296	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	485.0931
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
58.06602	4.1
60.05644	7.3
69.03432	4.6
70.66418	4.0
79.01873	4.7
81.03410	4.5
97.02883	4.1
109.02868	5.3
121.06524	2.5
125.02380	2.9
127.03935	4.1
127.08669	3.4
139.03899	3.9
143.03406	7.7
153.01840	100.0
153.02936	7.1
163.03874	2.7
171.02876	4.4
268.76263	2.0
297.05981	4.7
400.20349	4.8
444.08142	2.2
458.63589	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	485.0928
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.30198	1.5
59.31894	1.6
60.05646	3.4
67.99941	1.3
69.03426	3.4
69.60415	7.1
70.36315	1.3
79.01856	4.1
81.03425	6.0
85.02905	2.6
89.44901	1.5
91.05704	1.2
97.02914	4.1
107.01344	2.2
109.02888	3.5
110.78906	1.5
121.06528	2.9
125.02373	3.8
127.03951	7.1
132.28929	1.5
143.03391	8.6
153.01837	100.0
153.02919	5.8
154.02174	5.0
171.02907	5.2
255.04922	1.4
297.05930	3.7
315.06787	2.1
355.46674	1.7
400.20801	1.8
485.13287	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	485.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
51.20205	0.4
53.03932	0.8
55.01858	0.6
57.03443	0.6
58.06593	0.6
60.05639	2.2
69.03436	3.0
70.06601	2.6
71.30803	0.9
79.01862	4.1
81.03417	7.4
85.02927	2.9
91.05495	0.6
97.02897	7.6
98.97576	1.0
99.04463	0.9
103.03931	1.1
107.01327	2.3
107.04981	1.1
109.02884	5.2
116.98560	0.6
121.06493	0.7
123.04404	0.6
125.02345	3.7
127.03938	7.1
135.04419	0.6
139.03879	1.8
143.03387	6.0
145.04999	1.3
147.04465	3.3
153.01831	100.0
153.02870	5.0
154.02187	3.2
156.71236	0.4
158.09329	0.8
163.03893	1.3
167.03384	0.6
171.02892	11.3
171.06511	0.8
175.11906	1.8
177.05510	0.9
183.06444	0.5
195.02852	0.7
195.06548	1.4
207.06673	0.5
213.03934	0.8
255.05101	1.6
261.07611	2.2
279.08649	0.8
297.06067	8.1
311.33807	0.5
315.07135	3.8
321.15567	0.7
400.20755	0.6
443.08167	0.5
485.12692	1.1
485.14572	0.7
485.20181	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	485.129
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
53.03954	1.2
55.05463	0.9
60.74321	1.0
69.03439	2.9
69.30962	3.4
69.31371	2.8
74.08272	1.0
79.01853	4.6
81.03424	8.9
85.02890	2.7
97.02893	6.9
103.03897	1.1
107.01366	1.9
108.73014	0.8
109.02879	6.6
121.02837	1.0
125.02373	3.5
127.03927	6.2
139.03923	2.0
143.03400	5.9
145.04985	1.0
153.01837	100.0
153.02870	5.1
154.02136	2.4
171.02892	11.9
177.01819	1.1
200.66931	0.9
219.97943	1.0
237.03976	1.2
247.43054	1.0
261.07617	3.2
297.06082	8.7
315.07071	4.3
317.56729	1.1
430.75800	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	485.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.5
51.02377	0.9
53.03940	1.6
53.87645	0.6
55.01884	0.7
59.35658	0.7
59.86850	0.7
69.03433	3.4
69.36408	2.1
69.36815	1.5
77.89627	0.7
79.01860	3.6
81.03429	7.2
85.02911	3.5
87.00855	0.7
95.01096	0.6
97.02905	5.7
97.25344	0.6
99.04439	0.7
103.03947	0.7
107.01321	2.2
107.19530	0.6
109.02902	4.4
111.04446	0.7
125.02374	3.8
127.03927	8.3
130.51379	0.6
139.03920	1.9
140.11862	0.6
143.03397	6.6
143.31825	0.7
145.04938	1.6
146.81303	0.6
153.01836	100.0
153.02899	5.4
154.02171	3.8
171.02904	10.0
171.06543	2.5
185.04247	0.9
237.04016	1.4
255.04922	0.7
258.81827	0.6
261.07632	2.2
262.11124	0.7
297.06052	8.4
315.07098	3.4
455.15359	2.4
485.16284	22.6
486.16727	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	485.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
54.99847	0.2
63.02378	0.6
65.03955	0.8
67.01868	4.4
71.05013	0.4
81.03416	2.2
83.81872	0.2
85.02903	0.5
89.03921	8.4
91.05486	8.1
99.04456	1.1
103.05470	0.5
107.04993	0.4
109.02884	6.4
109.03459	0.2
117.03385	22.5
118.03741	0.4
119.04952	16.2
120.05300	0.5
121.06557	0.4
127.03919	9.2
134.03621	1.6
135.04424	1.7
145.02853	51.8
146.03218	1.8
147.04414	64.4
148.04744	2.3
149.05988	7.0
163.03888	0.6
177.05475	100.0
178.05798	4.0
185.05675	0.3
186.05511	1.1
188.52625	0.3
243.06512	0.5
255.06445	0.4
273.05426	0.2
273.07632	2.8
285.07526	1.1
303.05368	0.4
303.08640	6.7
485.15311	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	485.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.6
60.05661	0.4
63.02393	0.8
65.03952	1.1
67.01867	3.2
69.03429	0.3
70.06615	0.3
70.27358	0.6
71.04993	0.7
78.04704	0.4
81.03418	1.9
83.58280	0.4
89.03917	7.2
89.53692	0.3
91.05481	8.1
93.26433	0.3
95.04942	0.4
97.02895	0.4
98.22740	0.4
99.04459	0.9
103.05463	0.4
106.04202	0.5
107.08579	0.3
109.02888	5.6
117.03384	21.5
119.04949	18.6
120.05318	0.5
120.58364	0.3
121.06537	0.6
124.05187	0.5
124.47958	0.3
127.03925	7.8
134.03648	1.7
135.04414	1.2
145.02850	52.3
146.03226	1.6
147.04413	68.3
148.04720	1.8
149.05984	7.6
152.62544	0.3
163.03935	0.5
176.07289	0.3
177.05472	100.0
178.05809	3.0
186.05539	1.1
243.06496	0.5
255.06458	0.4
273.07599	2.5
285.07532	0.6
303.08667	5.8
485.15103	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	485.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
60.05659	0.6
63.02399	0.8
65.03959	1.4
67.01872	6.2
68.99805	0.4
69.03471	0.5
71.05002	1.0
78.04716	0.4
79.05543	0.5
81.03429	3.5
81.07074	0.5
85.02908	0.5
89.03923	7.9
91.05491	12.4
93.07058	1.9
97.02911	0.6
99.04465	1.7
103.05492	0.7
103.56538	0.4
106.04169	0.7
107.08575	0.8
109.02880	8.2
117.03388	21.0
119.04955	26.5
120.05276	0.7
121.06519	0.7
121.10156	1.1
127.03932	12.2
134.03632	1.5
135.04416	1.6
145.02861	47.3
146.03206	0.9
147.04422	100.0
148.04785	2.3
149.05997	8.0
153.01778	2.3
153.05492	0.5
162.86324	0.4
163.03912	0.8
167.10741	0.7
167.39014	0.4
176.41808	0.5
177.05484	96.0
178.05777	2.9
186.05466	0.7
189.09123	0.5
199.07526	0.4
239.47925	0.5
243.06604	0.6
255.06618	1.0
273.07584	4.9
285.07516	0.7
303.08661	4.9
405.65332	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	485.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42104	0.2
51.02386	0.2
53.03944	0.4
61.98682	0.2
62.24051	0.2
64.18327	0.2
65.03946	1.0
67.01868	3.9
68.51054	0.2
69.81371	0.8
71.04993	0.7
78.04710	0.2
81.03426	2.2
85.02909	0.5
89.03918	6.7
91.05480	8.0
92.05804	0.2
99.04446	0.9
106.04167	0.5
109.02880	6.7
117.03377	18.6
118.03707	0.5
119.04944	15.2
120.05270	0.3
121.06524	0.3
127.03920	8.0
134.03613	1.4
135.04395	0.9
145.02844	46.8
146.03207	1.2
147.04407	61.4
148.04723	1.9
149.05980	6.7
163.03885	0.4
165.05443	0.3
177.05466	100.0
178.05832	3.4
186.05504	0.6
187.07639	0.3
210.95300	0.2
214.75639	0.2
229.08704	0.2
243.06471	0.6
247.02209	0.3
255.06482	0.6
273.07565	2.2
285.07538	1.5
303.08609	6.5
304.08972	0.3
421.07349	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	485.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
54.09322	0.3
64.90472	0.4
65.03941	0.9
67.01876	4.9
67.25622	0.4
70.56031	0.6
71.05026	0.6
81.03432	2.7
89.03915	7.9
89.04421	0.8
91.05486	10.6
99.04453	1.0
105.41385	0.4
106.04108	0.5
109.02880	7.4
117.03385	21.1
118.03764	0.4
119.04950	22.1
120.05322	0.6
127.03918	11.1
128.04187	0.4
134.03645	1.5
135.04451	0.7
138.05783	0.4
145.02849	51.0
146.03192	1.2
147.04411	94.7
148.04750	2.9
149.05974	7.2
162.35614	0.5
177.05470	100.0
178.05794	3.7
186.05426	0.6
215.06877	0.4
243.06499	0.5
255.06458	0.9
273.07581	5.3
285.07599	1.0
303.08606	6.6
304.09122	0.6
485.13327	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	485.1994
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
51.94810	0.7
55.24333	0.5
66.74934	0.6
67.63039	0.6
69.74628	1.1
69.75008	1.2
70.06574	1.8
75.20045	0.6
76.86476	0.6
81.07069	0.8
83.04974	1.3
85.02900	0.8
86.09712	1.4
87.55998	0.6
94.21964	0.5
97.02855	0.7
107.04953	7.2
108.05311	0.7
145.02895	0.9
146.03160	0.8
163.03970	1.1
175.11000	0.8
178.05870	0.8
201.03661	2.0
259.05899	0.7
310.20929	0.6
330.13184	0.7
333.07916	47.8
334.08282	1.6
335.09409	5.6
353.10178	1.0
353.16040	0.7
353.97632	0.7
407.11221	0.7
407.48264	0.6
469.65204	0.6
485.19867	100.0
486.20148	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.5
53.03943	15.8
53.80822	3.9
55.01880	12.8
55.05511	17.5
57.03437	12.2
57.07053	4.8
61.02947	4.7
65.03922	6.6
67.05501	30.2
68.99770	7.9
69.03437	50.0
69.07061	9.6
69.92814	9.4
70.06588	11.9
71.01350	3.9
71.04999	33.4
72.08169	4.3
73.02931	7.1
79.05498	28.3
81.03425	58.7
81.07059	100.0
83.05003	9.6
85.02433	5.7
85.02917	76.0
85.06518	6.3
86.09710	13.3
87.00832	32.3
89.55238	3.4
91.05482	34.2
93.07055	63.2
95.04958	17.0
95.08622	41.4
97.02911	36.5
97.06538	18.1
99.04449	13.3
99.08104	13.3
105.01880	16.1
105.07041	83.0
107.08606	42.3
109.02902	42.2
109.06528	15.1
109.10168	51.5
111.08086	8.3
117.01872	5.0
117.03397	5.2
117.07004	10.3
119.08586	51.5
119.18623	3.9
121.06499	6.2
121.10159	33.5
123.04452	5.5
123.08073	13.1
123.11710	34.6
125.09641	17.2
127.03914	57.6
127.07536	21.2
127.11215	10.4
129.01837	10.6
130.83223	3.5
131.08571	13.4
133.10129	50.8
135.08035	8.0
135.11697	16.2
137.09615	13.6
139.11192	6.3
143.10640	9.5
145.02922	4.9
145.04961	13.7
145.10118	30.6
147.02829	5.8
147.11693	89.6
149.09586	4.8
151.11183	17.1
153.01872	8.6
155.10623	10.9
157.10124	13.2
159.02913	13.7
159.11699	27.6
161.13272	11.2
163.11119	7.8
171.11685	4.1
173.04459	4.7
173.09520	4.3
173.13223	9.7
175.14824	8.2
177.05486	10.8
184.07286	18.1
185.07721	5.8
193.15862	5.7
201.16386	30.0
203.17921	5.6
219.17467	78.7
231.05066	10.1
231.17612	4.4
237.18497	15.3
293.63348	4.2
331.67224	4.3
459.78015	4.8
477.19312	4.7
485.06726	6.8
485.19574	12.9
485.24884	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55478	1.8
54.18969	2.0
55.05508	5.2
57.03428	6.7
57.06828	2.6
57.07079	24.9
64.64975	1.7
67.05502	8.5
69.07064	5.2
71.08625	18.0
79.05466	3.2
81.07046	7.9
83.08608	5.1
85.10182	11.3
87.04472	6.7
89.06013	2.3
91.05483	39.1
95.08613	12.9
97.10191	2.5
98.98457	20.6
100.04004	1.9
104.06239	2.4
105.07035	21.0
109.10153	4.3
133.10126	100.0
134.10452	4.3
147.08051	5.0
148.25800	1.7
155.01053	14.2
173.02171	2.8
219.49974	2.0
242.80951	1.8
295.11169	1.9
313.27338	87.4
314.27673	2.9
354.93097	1.8
449.26581	3.4
485.32227	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	486.1549
Annotation	SCHEMBL5971552
Peak:m/z	Relative Intensity
50.01595	0.4
51.02378	1.1
53.03717	0.3
53.03951	3.9
53.87607	0.2
55.01868	0.6
65.03922	0.4
68.48743	0.2
70.34595	0.4
77.03925	0.9
79.05496	0.4
81.03414	0.4
91.05484	15.4
92.05801	0.3
93.07047	19.9
94.07378	0.5
95.04972	5.1
102.04720	0.5
103.05472	17.6
104.05811	0.4
105.04516	2.3
121.06509	100.0
122.06837	2.7
135.08034	0.3
145.02864	0.3
147.04378	0.3
151.37036	0.2
177.05479	0.2
178.05878	0.3
220.05339	0.2
222.06715	0.2
225.67915	0.2
235.07410	0.2
245.04701	0.3
250.06332	0.5
259.03931	0.5
260.07083	0.7
263.07156	1.0
265.05161	0.3
278.05664	0.4
278.08389	0.2
279.06390	0.2
280.07135	0.2
282.05139	0.4
288.06454	0.8
290.04578	0.3
291.06650	1.2
305.06903	0.7
306.04617	1.1
306.07730	0.9
308.06552	0.3
316.06052	1.6
319.04898	0.2
321.07495	0.4
323.09131	1.8
324.06155	0.2
333.06366	0.4
334.07129	3.8
335.07648	0.4
348.08627	2.7
349.06787	1.2
350.06583	1.8
351.07526	1.2
366.09729	19.8
367.10080	1.4
392.11411	0.5
486.15475	53.4
487.15814	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	486.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.05519	3.9
57.03445	6.1
69.03424	7.3
70.89657	5.0
70.89991	5.6
75.04463	8.6
79.05505	20.8
81.03423	12.5
81.07070	6.5
85.02905	6.1
91.05470	18.2
93.07047	100.0
95.04903	4.5
95.08636	4.0
97.02885	3.4
103.05529	3.4
105.07045	8.8
107.08597	19.7
109.02892	5.8
111.08085	9.9
117.03384	5.8
117.22812	3.3
119.08585	13.6
121.06532	16.4
121.10148	93.8
127.03899	4.3
131.08563	5.6
139.11145	3.7
139.38226	3.6
145.02905	7.7
147.04462	6.1
149.09630	20.1
149.31473	3.4
153.01811	3.9
153.05534	16.2
167.10664	29.0
168.00502	3.3
177.05516	25.9
178.05832	12.2
231.06583	4.0
239.10239	3.4
293.13837	8.9
311.14801	7.5
350.10129	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	486.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.2
58.06591	1.9
58.72181	0.6
65.01754	0.6
69.03439	0.7
70.06592	3.8
71.28905	1.0
72.08161	15.9
84.08135	1.6
86.09709	2.2
89.03916	2.5
91.05486	8.3
98.06055	1.4
110.36333	0.7
112.11246	2.9
113.07130	2.1
117.03391	10.3
119.04948	21.0
121.06544	0.8
127.08655	1.2
129.13902	1.7
133.47603	0.6
134.03555	0.7
135.04466	1.0
136.05167	1.6
137.05962	0.9
145.02852	31.0
146.03217	1.1
146.16536	1.4
147.04414	100.0
148.04752	1.9
149.05980	2.6
151.07547	1.1
155.10536	0.8
155.11795	18.2
163.03918	1.4
172.14465	6.5
177.05473	48.2
178.05798	1.6
184.07365	2.8
195.08148	0.7
204.10210	41.4
205.10535	1.4
221.12804	1.0
231.02899	1.0
234.11256	8.9
248.12897	3.0
252.12178	0.7
259.02441	0.7
263.59335	0.7
275.17566	2.0
278.60236	0.7
292.20200	6.2
304.20224	0.9
305.18576	2.4
316.20111	0.6
318.18137	11.4
319.18442	1.1
322.21194	6.0
348.19171	2.2
447.92990	0.6
450.23679	0.8
451.22083	1.0
468.24969	79.2
469.25360	5.8
473.42896	0.7
486.26016	19.8
487.26309	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	486.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.4
55.05518	16.0
57.03434	2.0
57.07066	2.5
61.02929	2.7
65.03936	6.1
67.05507	43.1
69.03436	9.2
69.07079	18.6
71.05043	2.2
77.03965	2.6
79.05499	48.5
81.03425	12.7
81.07063	57.4
83.08627	8.3
85.02426	2.8
85.02915	22.9
87.00846	9.6
91.05486	73.9
93.07049	100.0
95.04984	5.5
95.08617	85.8
96.08971	2.8
97.02910	8.2
97.10182	14.1
97.67747	2.0
98.23357	5.6
99.04454	5.0
105.01883	10.3
105.04547	4.5
105.07037	91.5
107.08598	85.7
109.02885	10.4
109.06571	2.5
109.10164	59.8
109.42882	2.0
110.10550	2.8
117.06964	2.2
119.08585	67.0
120.73965	2.2
121.10152	54.1
122.10515	2.5
123.11731	11.5
127.03921	22.4
131.08496	3.9
133.10135	60.4
135.11679	12.4
145.04979	9.6
147.11697	76.3
149.13232	3.3
159.02916	3.6
161.13248	17.7
175.14874	7.4
203.17960	66.1
231.04929	2.8
234.16037	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	486.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.05515	10.9
57.03443	2.5
57.07063	1.7
65.03956	2.7
67.05510	46.4
69.07079	10.8
70.45264	3.0
70.64748	1.2
71.05005	2.2
79.05501	19.5
81.07064	100.0
82.07420	1.4
83.05002	1.8
83.08624	14.3
85.06551	1.7
87.04472	6.4
88.02265	1.3
91.05494	18.2
93.07059	22.8
95.08615	53.1
97.06532	6.3
97.10180	9.3
99.08107	4.5
105.07027	5.8
107.08597	10.8
109.06531	2.1
109.10161	31.1
111.08089	4.2
111.11733	2.5
116.05340	1.6
117.07014	1.3
119.08580	6.2
121.10150	22.2
123.08054	1.7
123.11708	14.5
125.09641	2.0
127.07552	11.6
131.08575	1.7
133.10146	6.0
135.11713	16.0
137.09653	1.6
137.13252	8.1
137.72801	1.2
139.11172	1.7
145.08623	10.1
145.10173	2.0
147.08151	1.4
147.11716	3.8
149.13301	5.1
151.11186	1.3
151.14867	2.6
153.12761	1.4
161.13277	7.7
163.14827	1.5
165.12741	4.4
165.16371	1.1
171.13750	1.5
173.13333	1.2
175.14828	10.8
179.14305	8.3
185.15349	1.3
193.15903	8.2
198.12891	1.9
199.58685	1.1
200.83626	1.0
203.59256	1.2
211.16968	2.6
222.10529	1.0
225.18526	2.4
237.18341	1.3
256.26590	1.7
257.22778	6.4
275.23724	24.6
276.24011	2.6
293.24774	74.9
294.25131	4.4
307.26328	6.5
325.27325	11.9
388.25574	1.4
486.33694	2.5
506.29398	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	487.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54949	0.2
51.74100	0.3
69.03418	0.3
70.16146	0.7
70.16525	0.6
75.72425	0.2
185.04221	17.3
195.34885	0.3
282.59149	0.4
324.02393	6.9
324.06009	0.5
325.03165	9.4
326.03729	0.4
487.08484	100.0
488.08829	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	487.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09014	0.3
69.86535	0.5
69.86928	0.7
80.12977	0.4
127.03720	1.1
136.22420	0.3
137.05983	1.0
138.06438	0.3
153.01834	0.4
154.93428	0.3
169.04654	0.4
173.04192	0.4
175.96524	0.3
192.03989	0.5
217.94791	0.3
232.85388	0.3
235.84392	0.3
272.76340	0.3
317.08508	0.7
358.26450	0.3
379.65192	0.3
384.17972	0.3
397.10782	0.4
461.54858	0.3
487.14240	100.0
488.14612	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	487.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58484	0.3
55.01860	0.3
69.03429	0.6
69.38482	1.5
74.00648	0.5
76.03999	1.2
84.04512	4.8
85.04030	0.9
86.06073	0.6
86.09698	1.2
87.04471	16.1
92.01671	0.6
93.05798	2.2
94.06574	0.8
98.23318	0.8
99.02697	0.9
99.05570	1.2
101.68168	0.3
104.55793	0.3
106.06528	1.0
106.21653	0.3
107.07316	0.5
119.07255	0.4
120.08114	0.8
126.03746	10.9
127.02138	0.7
127.04070	0.4
130.05017	3.0
131.04529	1.1
132.08125	2.0
133.08865	1.5
134.09657	0.7
135.02596	0.9
138.03732	1.0
145.02829	0.4
146.05972	1.3
147.04402	0.6
147.07657	0.5
149.03882	0.4
150.09129	0.8
152.05273	2.4
153.01833	0.8
159.02187	0.4
160.07605	1.8
161.08360	2.9
162.09169	0.8
164.07056	0.7
164.10728	0.4
166.06883	10.8
166.08250	0.4
167.07167	0.5
168.04716	1.0
176.05298	0.9
177.03307	4.3
178.08649	0.7
179.07999	0.4
179.09402	2.2
180.04767	1.6
180.10190	4.9
182.11771	1.3
184.07951	2.0
185.03816	2.3
190.05066	0.7
194.06364	14.1
195.06639	0.6
196.07973	0.6
203.07745	0.4
212.07408	100.0
213.07715	3.5
214.08951	1.2
220.07927	1.1
231.04362	5.3
238.08998	5.0
248.07304	1.9
255.11653	5.1
265.10056	2.7
266.08453	9.1
283.11090	4.5
287.13977	0.5
288.06525	0.9
288.14679	0.6
306.07254	0.4
321.12619	1.4
325.11771	0.7
333.07886	0.6
358.14270	7.5
359.14404	0.6
394.14282	0.6
412.15131	0.8
469.25543	0.5
487.19656	2.2
487.25604	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	487.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90820	1.5
68.66838	1.3
69.03428	1.9
69.07065	3.0
69.21733	8.8
70.06582	8.1
73.16479	1.3
74.77290	1.2
81.03436	1.7
81.07055	4.1
85.02908	2.2
86.09708	2.9
91.05520	1.4
93.07041	2.7
95.08603	3.9
98.97613	2.6
103.83842	1.5
107.08567	2.3
109.10182	2.7
110.97621	2.0
116.98624	1.9
121.06541	2.0
123.11685	1.4
127.03915	2.4
135.11673	2.3
139.03825	1.5
153.12856	1.7
165.09132	3.1
170.99680	1.5
190.05176	1.6
190.73483	1.4
201.23114	1.3
221.18953	1.7
224.89101	1.6
243.17165	3.2
249.02962	2.5
280.64517	1.6
291.03796	2.4
349.05280	10.8
367.14044	1.5
487.19400	100.0
487.32339	8.3
488.19858	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	487.1942
Annotation	Rutaevin
Peak:m/z	Relative Intensity
53.90820	1.5
68.66838	1.3
69.03428	1.9
69.07065	3.0
69.21733	8.8
70.06582	8.1
73.16479	1.3
74.77290	1.2
81.03436	1.7
81.07055	4.1
85.02908	2.2
86.09708	2.9
91.05520	1.4
93.07041	2.7
95.08603	3.9
98.97613	2.6
103.83842	1.5
107.08567	2.3
109.10182	2.7
110.97621	2.0
116.98624	1.9
121.06541	2.0
123.11685	1.4
127.03915	2.4
135.11673	2.3
139.03825	1.5
153.12856	1.7
165.09132	3.1
170.99680	1.5
190.05176	1.6
190.73483	1.4
201.23114	1.3
221.18953	1.7
224.89101	1.6
243.17165	3.2
249.02962	2.5
280.64517	1.6
291.03796	2.4
349.05280	10.8
367.14044	1.5
487.19400	100.0
487.32339	8.3
488.19858	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	487.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.7
53.03952	15.0
55.01870	5.5
55.05510	6.0
57.03434	4.1
65.03933	3.4
67.05498	14.3
69.03436	23.0
69.11046	18.0
70.06587	6.5
71.05006	3.2
72.08138	4.7
75.04465	3.1
79.05502	25.6
81.03422	26.5
81.07052	10.2
82.59114	2.8
84.04480	2.6
85.02908	13.8
86.09702	10.8
87.11482	2.7
89.03937	5.8
91.05479	39.2
93.07044	100.0
94.07368	4.1
95.04949	9.7
95.08617	36.4
97.02882	9.9
97.06525	3.0
99.04464	8.6
103.05462	29.5
105.07032	22.5
107.04955	4.6
107.08597	26.2
109.02901	12.9
109.06525	5.8
109.10152	13.0
111.08152	2.9
115.05468	7.0
117.03352	13.5
117.07020	9.6
119.08614	17.7
121.06511	79.2
121.10140	69.4
123.08063	31.1
124.39294	3.0
127.03934	17.1
129.07007	6.0
131.04933	36.0
131.08563	17.9
133.06673	3.0
135.08057	18.9
137.05984	23.4
137.09644	4.1
139.05510	2.7
141.06987	6.0
143.04958	8.2
144.05634	3.1
145.02849	29.5
145.10089	2.8
146.03618	5.0
146.11807	3.5
147.08032	7.1
149.05917	6.5
149.09622	38.0
151.03918	4.5
151.07547	11.0
152.06248	3.5
153.06964	3.6
155.08405	4.5
157.06509	4.4
158.07269	5.6
159.08090	5.5
160.05202	10.9
160.07658	2.8
161.05998	14.4
162.03110	4.6
163.07552	60.3
164.07936	3.3
165.06964	4.6
165.09137	4.0
167.08459	3.9
169.06482	6.5
171.04489	3.0
171.08087	3.7
172.05261	3.4
173.09578	3.2
174.06754	9.2
175.07559	30.6
177.05470	75.1
177.07016	3.7
179.07153	6.1
179.08624	3.4
180.09274	3.1
181.10141	5.8
183.07985	4.8
186.06689	3.0
187.07530	36.9
188.08228	4.7
189.05486	56.0
189.09084	23.5
190.05991	4.3
191.07018	11.1
195.08064	19.5
197.05995	7.4
197.09708	3.4
199.07553	3.7
201.05429	4.6
201.09102	48.5
201.10860	3.8
202.09880	32.5
203.07001	22.5
203.10593	7.6
205.08652	3.5
207.06346	5.3
208.08937	4.2
209.09631	9.6
211.07536	8.0
212.08270	3.5
213.09114	8.0
214.06218	3.9
215.07019	8.8
215.10773	7.0
217.08662	6.8
219.06419	3.8
219.08212	2.8
219.11671	4.9
221.09691	4.9
223.11113	7.7
225.09113	9.8
226.09930	10.6
227.06990	6.9
227.10608	20.2
228.07611	3.4
229.08554	18.2
233.09814	4.5
237.09113	4.4
237.12740	7.0
239.10675	6.2
241.08569	8.5
241.12300	14.1
242.09306	3.7
245.08028	3.3
247.11211	7.9
250.09886	3.8
251.10696	7.4
254.09074	3.6
255.10191	28.8
255.13808	22.6
264.11243	5.5
265.12329	10.6
268.10855	3.3
269.08032	3.0
269.11838	4.2
269.15359	21.3
275.10657	6.6
279.13788	10.8
280.14484	3.6
281.15347	4.0
283.13272	43.4
289.12170	4.7
292.11041	3.6
293.11697	3.0
297.14758	22.7
298.14981	2.7
299.16406	8.3
301.14575	2.6
307.13266	19.1
308.14185	6.0
315.15854	5.8
325.14481	35.2
326.14624	3.4
343.15439	12.7
351.10675	10.8
381.02252	2.6
385.16229	3.3
391.13867	4.3
427.17438	3.7
445.18716	4.5
451.17279	7.0
459.20004	4.0
469.18564	20.2
487.19629	86.5
488.19656	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	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	20.5
55.01873	19.4
55.05518	49.7
57.07075	15.0
61.02964	8.8
67.05515	41.6
68.63023	9.7
69.03445	52.8
69.07082	91.2
70.06596	10.1
71.04998	20.5
72.21864	9.1
79.05506	37.9
81.03414	39.4
81.07057	88.4
83.08641	51.7
85.02917	75.3
87.00827	44.3
87.08141	9.5
91.05492	34.7
93.07055	76.6
95.04984	10.6
95.08611	92.6
97.02905	26.8
97.06503	28.3
99.04477	21.2
105.01861	26.8
105.07042	29.5
107.08626	100.0
108.06254	9.3
109.02880	31.0
109.10174	72.6
111.11729	11.6
115.03934	14.8
115.27367	8.7
117.06915	9.2
119.08606	38.2
121.10158	42.3
123.08073	46.0
123.11737	66.4
125.09622	12.7
125.13268	15.0
127.03914	45.8
131.08604	15.3
133.10097	17.2
135.11713	77.5
137.09618	18.8
137.13228	24.3
145.04987	13.2
145.10156	23.3
147.11725	13.1
149.13199	52.7
149.92079	10.8
153.12746	24.6
157.10202	12.0
159.11763	13.9
161.13310	13.3
163.14735	11.4
203.17972	28.5
205.19522	23.3
216.89087	10.2
221.19063	96.1
331.15829	12.6
405.22308	17.7
420.90244	11.1
487.24670	22.7
487.30487	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01866	5.1
55.05516	26.9
56.23335	4.7
57.03440	7.4
57.07079	11.3
67.05512	16.3
69.03444	37.9
69.07072	64.5
69.08454	30.0
69.08856	10.9
70.06605	7.3
71.04971	10.3
79.05492	13.2
81.03427	35.1
81.07062	36.0
83.08636	26.2
85.02904	63.4
86.09725	10.1
87.00822	14.7
91.05479	13.8
93.07039	34.1
95.08609	40.4
97.02898	24.2
97.06539	27.8
99.04449	14.5
99.08045	5.5
105.01867	17.2
105.07022	8.7
107.08597	50.1
109.02892	27.2
109.06525	5.0
109.10159	24.1
111.08059	8.1
111.11742	6.6
119.08603	14.4
121.10152	19.4
123.08060	17.9
123.11720	19.8
125.09642	5.2
125.13331	23.9
127.03938	44.4
127.11206	7.3
132.34152	5.3
133.10104	12.1
135.11697	50.7
137.13231	7.7
145.05003	12.7
145.10152	5.0
147.02882	5.7
147.11670	10.1
149.13274	15.6
153.12761	26.5
159.02890	14.4
182.18750	6.1
203.17982	19.1
204.46959	5.1
205.19565	6.6
210.19553	4.9
221.19005	100.0
239.19966	7.3
251.36246	5.7
278.11984	5.7
326.26712	6.2
358.10727	6.3
404.77988	5.2
487.19412	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01866	5.1
55.05516	26.9
56.23335	4.7
57.03440	7.4
57.07079	11.3
67.05512	16.3
69.03444	37.9
69.07072	64.5
69.08454	30.0
69.08856	10.9
70.06605	7.3
71.04971	10.3
79.05492	13.2
81.03427	35.1
81.07062	36.0
83.08636	26.2
85.02904	63.4
86.09725	10.1
87.00822	14.7
91.05479	13.8
93.07039	34.1
95.08609	40.4
97.02898	24.2
97.06539	27.8
99.04449	14.5
99.08045	5.5
105.01867	17.2
105.07022	8.7
107.08597	50.1
109.02892	27.2
109.06525	5.0
109.10159	24.1
111.08059	8.1
111.11742	6.6
119.08603	14.4
121.10152	19.4
123.08060	17.9
123.11720	19.8
125.09642	5.2
125.13331	23.9
127.03938	44.4
127.11206	7.3
132.34152	5.3
133.10104	12.1
135.11697	50.7
137.13231	7.7
145.05003	12.7
145.10152	5.0
147.02882	5.7
147.11670	10.1
149.13274	15.6
153.12761	26.5
159.02890	14.4
182.18750	6.1
203.17982	19.1
204.46959	5.1
205.19565	6.6
210.19553	4.9
221.19005	100.0
239.19966	7.3
251.36246	5.7
278.11984	5.7
326.26712	6.2
358.10727	6.3
404.77988	5.2
487.19412	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.5
55.05502	22.4
67.05514	18.7
69.03430	20.3
69.07069	14.4
70.06606	11.8
71.05005	12.4
71.09918	10.7
72.86206	7.1
79.05489	27.7
81.03418	16.2
81.07066	77.4
83.05056	6.6
83.08616	10.5
85.02910	30.1
87.00826	6.7
91.05474	29.3
93.07053	52.1
95.08640	41.8
97.02909	9.0
97.06506	8.8
105.07055	33.4
107.08600	66.1
109.02883	12.0
109.10162	27.8
111.79312	7.2
119.08595	54.5
121.06502	20.3
121.10153	28.0
123.11707	20.8
124.07633	9.0
127.03921	11.9
127.77357	6.2
131.08690	6.5
133.10138	38.8
135.04390	6.1
135.11693	100.0
135.48672	6.6
136.62608	6.2
137.09618	9.1
145.10121	17.8
147.04318	6.6
147.11676	23.6
149.13210	8.7
153.12715	10.7
157.83011	7.8
159.11674	9.8
161.13194	10.8
163.03915	17.5
163.11232	10.1
177.05507	14.3
194.33226	6.6
203.18028	33.8
203.26881	6.9
221.19078	19.4
272.50970	7.6
469.24603	7.4
472.90436	7.0
487.19556	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
53.03946	10.4
54.68774	1.1
55.01875	4.1
55.02123	1.0
55.05515	22.5
56.05856	0.9
57.03435	2.5
59.04997	1.3
61.93283	0.9
65.03946	6.7
67.05510	71.1
68.05843	1.1
69.03422	1.3
69.07069	12.9
69.64060	0.8
71.04996	2.6
73.06557	3.6
77.03934	1.9
79.05496	100.0
80.05810	2.3
81.03420	14.7
81.07063	59.3
83.04982	17.1
83.08624	6.0
85.06544	4.2
91.05487	74.3
92.05825	2.6
93.07050	78.1
95.04977	32.2
95.08610	34.7
96.08931	1.4
97.02887	1.6
97.06516	8.1
97.10181	4.3
99.08086	1.1
103.05447	1.8
105.04514	3.2
105.07035	52.4
106.07360	2.0
107.04958	8.0
107.08604	23.7
109.06525	8.9
109.10134	5.5
111.08109	3.2
115.05462	2.2
117.07021	12.4
119.08595	32.0
120.08934	1.4
121.06543	4.8
121.10126	7.3
123.08092	8.8
125.09595	1.5
128.06206	4.9
129.07019	20.3
129.07909	1.8
131.08621	5.4
133.06552	1.5
133.10130	12.7
133.41992	1.0
135.08075	2.0
135.11700	2.2
137.09630	1.1
139.07521	1.1
140.11208	1.0
141.06931	1.1
141.09158	1.1
142.07872	1.0
143.08546	12.4
145.10107	12.1
147.08095	3.0
147.11688	42.7
148.12050	1.4
150.11607	1.0
156.09329	1.6
157.10126	1.0
159.11670	1.9
161.09621	5.3
161.13271	20.2
163.11200	2.2
169.10159	1.3
171.11697	37.9
172.12035	1.1
177.12836	1.4
179.14360	3.5
183.11804	0.9
189.12762	16.7
207.13821	40.2
208.14125	1.3
225.14851	7.4
246.07439	0.9
263.16254	1.3
281.17514	2.4
343.20279	1.1
469.29684	1.3
487.30591	39.5
488.30875	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.9
53.03944	12.3
55.01862	3.7
55.05516	22.1
57.03430	3.5
62.75113	1.1
65.03941	5.1
67.05509	70.0
69.07072	14.5
69.42415	5.5
71.04987	1.7
73.06542	3.0
77.03943	1.7
78.95726	1.0
79.05496	100.0
80.05840	1.6
81.03429	13.8
81.07060	48.2
83.04985	16.2
83.08623	7.7
84.54961	1.3
85.02921	1.7
85.06546	3.8
91.05483	82.8
92.05835	2.3
93.07047	74.9
94.07362	2.6
95.04973	26.3
95.08612	34.8
96.05305	1.5
97.02908	1.4
97.06543	7.6
97.07059	1.1
97.10179	3.2
98.23351	1.7
103.05455	1.9
105.04514	4.0
105.07036	51.6
107.04971	7.4
107.08602	23.4
109.06539	7.1
109.10147	5.1
111.08073	3.0
115.05408	2.9
117.07029	12.0
119.08588	33.9
120.08878	1.5
121.06516	4.7
121.10149	6.8
123.08080	8.7
127.07578	1.8
128.06216	6.5
129.07001	24.0
131.08543	5.9
133.06517	1.7
133.10147	11.5
135.11700	3.8
137.09669	1.7
141.07002	2.0
143.08580	14.1
145.10123	11.8
147.08054	2.8
147.11690	41.3
155.05891	1.2
159.11646	2.1
161.09615	6.2
161.13263	18.5
163.11235	1.8
166.07253	1.3
171.11700	38.2
172.12091	2.0
179.14264	4.7
189.12743	14.9
207.13815	38.8
208.14226	2.3
225.14789	6.2
281.17529	3.9
469.29843	1.4
487.30670	35.2
488.30569	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	487.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.9
51.02380	1.5
53.03947	9.3
55.01879	4.6
55.05515	26.1
57.03442	3.5
57.07081	1.2
59.04995	1.1
65.03944	6.5
67.05507	72.0
68.05840	1.1
69.03432	1.7
69.06724	1.3
69.07072	13.6
71.04989	3.3
73.06565	3.1
77.03925	2.8
79.05496	100.0
80.05820	2.1
81.03426	12.6
81.07061	57.7
83.04990	14.1
83.08630	7.7
85.06522	4.1
91.05482	78.7
92.05820	1.0
93.07048	77.1
94.07389	2.6
95.04975	31.4
95.08611	36.5
96.08998	0.8
97.02889	1.1
97.06522	8.2
97.10178	4.5
99.08086	1.0
102.09807	0.7
103.05491	2.4
105.04521	5.1
105.07036	56.7
106.07380	1.9
107.04965	9.3
107.08596	23.5
109.06546	9.4
109.10167	5.7
111.08079	2.0
115.05460	2.5
117.07021	14.1
119.08584	34.1
120.08913	0.9
121.06505	4.7
121.10141	7.2
123.08084	8.2
127.07555	2.1
127.61608	0.8
128.06204	4.6
129.07021	22.4
130.07697	0.8
131.08565	5.3
133.06552	1.7
133.10144	13.9
135.08049	1.7
135.11697	2.1
137.09644	1.5
141.06995	0.9
141.09085	0.9
141.11600	0.7
143.08572	10.3
145.10126	13.2
147.08080	2.1
147.11691	40.4
148.12003	1.4
156.09358	1.2
159.11734	1.3
161.09595	4.2
161.13266	18.1
162.13608	0.8
163.11174	2.2
169.10162	1.9
171.11699	38.4
172.12007	2.0
179.14301	4.2
181.41319	0.8
183.61215	0.6
184.51912	0.8
189.12743	14.2
190.12993	1.0
192.00819	0.7
207.13814	37.4
208.14131	2.1
225.14790	6.5
263.16406	0.9
281.17545	2.7
474.62601	0.8
487.30420	32.3
488.30850	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	488.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03940	4.7
58.31349	0.9
69.59538	4.5
81.07078	1.6
91.05480	16.0
93.07047	22.2
95.04977	7.5
95.08623	1.3
103.05468	16.1
105.04523	2.8
109.10139	1.5
117.06999	1.6
119.04944	1.5
120.05724	3.3
121.06512	100.0
122.06834	3.1
125.05946	1.3
137.09671	3.5
145.06470	2.1
147.04465	1.6
157.15593	1.0
164.07060	6.5
165.09128	15.7
167.07024	1.9
173.06221	1.2
177.05548	1.6
179.08813	1.3
181.04968	1.7
189.06987	6.3
191.07094	1.9
191.08623	2.6
201.05424	25.1
202.05687	1.5
217.06551	2.8
218.07292	3.2
219.08066	18.0
220.08472	2.6
221.06001	3.4
222.06628	1.3
226.18159	1.1
229.07780	1.8
232.06047	1.1
233.06136	1.6
234.06793	5.2
235.07532	7.5
237.05486	1.3
245.05934	1.5
246.06784	4.1
247.07570	25.8
248.04654	1.8
248.08081	2.4
249.05446	2.6
250.06276	13.7
252.04097	1.3
261.05670	1.3
262.06277	10.2
263.07034	17.0
264.07758	3.7
265.05011	2.8
265.08640	12.8
266.05582	1.3
267.06497	8.0
276.04166	2.6
277.05081	1.6
278.05692	15.4
279.06393	5.3
279.10062	1.3
280.03851	2.7
280.07040	1.4
281.08206	2.1
282.08884	1.7
289.04968	1.1
291.06540	15.2
292.07065	2.4
293.04697	2.5
293.08075	29.8
294.05472	1.3
294.08728	4.4
295.06113	3.7
295.09491	1.2
305.07904	1.0
307.06219	1.4
307.09729	4.3
308.06775	4.3
309.07535	1.6
310.08374	34.3
311.08902	2.6
319.06064	18.2
320.06628	1.5
321.07602	12.2
322.08017	1.7
323.09189	4.9
325.10730	35.5
326.11002	2.2
327.08636	2.4
336.08554	1.8
351.08652	31.8
352.08939	1.9
364.11758	1.9
368.11520	2.2
456.14493	22.8
457.14792	2.0
460.17371	2.5
488.17075	42.1
489.17279	4.6
489.23306	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	488.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03571	1.1
65.92957	1.2
67.20289	1.2
70.06592	5.4
71.29567	1.8
72.08159	2.3
79.05486	1.5
80.09512	1.3
84.04520	1.4
84.08135	2.9
86.09195	1.2
86.09718	4.6
89.02446	1.1
91.05470	1.4
94.04208	2.8
95.04961	2.4
105.07022	10.6
109.06510	16.8
113.06009	3.6
118.06526	13.9
121.06503	13.1
122.09655	2.9
123.08051	2.7
129.01717	1.5
129.10229	2.4
131.07045	1.8
133.06488	35.5
135.06793	3.9
135.08044	4.2
137.05974	94.1
138.06303	1.7
150.09137	86.5
161.05960	10.8
178.77022	1.4
179.07022	100.0
180.07436	3.0
196.09691	96.0
197.10039	2.6
217.01306	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	488.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77118	2.7
57.03444	7.0
57.06833	3.1
57.07082	17.2
58.39558	2.9
67.05515	18.2
69.07074	8.1
69.41225	15.9
71.08640	16.9
79.05542	3.5
81.07054	9.9
83.08605	6.1
85.10180	7.5
93.07047	4.1
95.08608	100.0
96.08961	4.3
97.06543	3.2
98.23303	6.0
109.10201	5.2
116.07154	2.8
123.08030	5.5
141.09111	4.8
159.10204	11.7
184.80219	3.2
191.46907	3.1
200.14207	2.6
215.12819	57.2
239.00102	3.0
272.30185	2.5
276.03372	2.8
313.27356	52.8
429.61646	3.3
453.35764	29.2
463.81439	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	489.1005
Annotation	NESS 0327
Peak:m/z	Relative Intensity
50.35567	0.9
55.50277	0.9
71.30775	0.9
71.31151	1.1
81.03414	1.3
83.43520	1.2
94.15968	0.9
95.23439	0.8
121.06525	3.1
121.76152	1.0
137.06021	1.2
143.03360	1.0
153.01854	4.4
175.03659	1.8
337.05408	9.6
489.10040	100.0
490.10382	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	489.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05516	1.2
67.05497	1.4
68.99809	1.1
69.03433	17.4
69.69462	3.1
75.68955	0.8
79.05493	1.0
81.03419	1.2
81.07061	1.3
85.02898	5.3
91.05463	0.8
93.07070	1.6
95.08624	1.4
97.02897	25.4
97.48465	1.0
99.04555	0.8
105.07075	1.0
106.29758	0.9
107.04988	1.2
109.02924	1.1
111.00809	1.4
115.03930	1.3
121.02866	1.9
122.19455	0.8
123.04424	0.9
127.03954	1.4
137.02364	1.4
143.03406	2.5
147.04378	0.8
153.01826	6.4
157.04971	7.9
165.01886	2.2
165.09166	5.5
183.02866	1.5
203.05457	1.2
213.05452	1.5
231.06546	1.1
258.05264	1.9
287.05508	100.0
288.05759	6.0
299.05685	1.7
365.06580	1.6
489.22845	1.1
489.32138	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	489.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23624	1.3
57.03432	1.3
67.05499	3.9
69.03429	9.9
69.07058	1.5
70.06631	1.5
70.91841	2.8
79.05490	2.8
81.03409	1.8
81.07060	5.3
83.08648	1.4
84.08121	1.8
88.37888	1.6
91.05476	2.1
93.07053	2.2
95.08599	1.9
97.02283	3.0
97.02897	52.8
105.07030	3.1
107.04994	1.6
107.08571	1.5
113.79105	1.7
121.02875	3.8
121.10153	2.4
132.19345	1.6
139.07721	1.6
143.03441	2.8
153.01865	5.8
165.09113	2.4
203.05563	2.4
223.78740	1.6
224.10506	1.4
259.06021	1.6
287.05493	100.0
288.05853	5.3
299.05457	1.9
303.04584	1.8
314.96805	1.8
489.17361	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	489.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.7
51.02351	0.7
53.03930	2.7
55.01869	1.2
55.05514	1.6
65.20555	0.6
67.05506	6.6
69.03423	1.0
69.07066	1.6
69.35809	1.1
69.36218	2.6
70.06561	0.8
71.04991	0.8
77.03917	0.8
79.05496	2.9
80.07243	0.6
81.03405	2.7
81.07061	8.0
83.04985	0.7
86.09673	1.0
91.05486	5.8
92.05826	0.9
93.06474	0.9
93.07048	15.3
94.07386	1.1
95.04962	2.1
95.08602	8.8
103.05462	2.4
104.05774	0.7
105.07042	3.3
107.04935	1.0
107.08584	2.4
109.02861	1.1
109.06534	0.6
109.10152	9.7
111.08059	1.1
119.08571	4.9
119.24635	0.6
121.06505	18.9
121.10139	7.9
122.06771	5.8
123.11694	4.4
131.08630	1.2
133.10114	1.4
135.11653	1.1
137.06001	1.1
137.09625	12.3
141.03358	1.2
142.03661	0.6
147.11723	1.4
149.09647	4.4
149.13269	1.2
151.07596	1.0
155.10667	0.8
161.02089	1.8
161.09630	0.8
163.14764	1.4
164.07043	1.2
165.09122	100.0
166.09473	2.3
173.06047	0.6
175.11208	1.6
177.09140	1.6
187.11102	0.7
187.13286	0.9
189.09055	1.1
189.12740	1.9
191.07062	1.1
201.05388	15.3
201.11197	0.8
202.05716	10.3
203.10643	3.9
203.14485	0.7
205.12257	5.9
206.06816	1.0
221.05496	1.0
235.07437	1.2
236.07916	1.1
237.09062	1.3
238.09563	1.5
244.06033	0.9
245.15488	1.4
249.05205	1.2
263.07074	1.5
264.07455	2.3
265.08560	2.5
266.09030	1.8
279.23184	0.9
282.08917	2.5
283.09308	4.2
291.06558	1.7
291.23087	0.7
292.06833	2.5
297.11230	2.2
298.11554	3.1
309.17435	2.3
314.11212	0.7
323.09268	3.5
324.09485	7.3
327.18347	0.9
337.23743	1.0
351.14145	61.4
352.14481	3.7
365.12018	2.5
369.15216	39.0
370.15656	1.4
443.31506	1.5
445.18002	1.7
458.39459	0.7
461.17935	7.0
471.16290	1.0
489.17303	64.4
489.23111	2.8
489.32016	1.8
490.17480	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	489.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43426	0.7
53.09909	0.7
55.05514	3.9
57.07069	1.2
59.04979	0.9
67.05510	15.6
69.07068	2.0
71.28230	1.4
77.85740	0.9
79.05492	6.2
79.86746	1.0
81.07060	6.7
83.08612	2.7
91.05495	5.2
93.07043	7.8
95.04950	1.3
95.08619	5.9
97.06514	1.5
105.07045	6.5
107.08602	4.4
109.06527	0.9
109.10159	7.6
117.07017	1.8
119.08609	5.2
121.10150	3.2
123.08076	0.9
131.08554	2.8
133.10138	2.9
135.11694	2.0
139.11232	1.2
143.08546	2.8
145.10097	2.5
147.11658	1.2
157.06281	2.1
159.11655	2.0
161.13283	1.6
169.10083	1.4
173.11761	2.7
173.13199	1.6
185.13324	1.0
195.13857	0.9
201.08838	3.4
207.11757	1.0
216.11327	2.0
221.15376	0.8
223.10892	1.1
272.11810	0.8
293.15131	39.5
293.68527	1.0
294.15472	2.5
307.16742	1.8
308.17361	4.6
319.15442	0.9
325.18051	0.9
383.25970	1.1
390.05865	0.9
397.31033	1.1
459.28619	2.5
471.34335	1.4
489.29657	100.0
489.35416	8.0
490.29999	11.4
490.36536	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	489.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
55.05510	0.9
67.05508	4.5
69.03426	0.4
69.07060	0.5
70.03197	0.4
70.03550	0.4
70.06591	0.6
71.04983	0.6
79.05486	0.7
79.51988	0.2
81.07061	2.8
83.04978	0.9
83.08611	0.3
85.06540	0.7
91.05463	1.3
93.07042	1.2
95.04974	0.4
95.08611	4.6
97.06528	0.2
101.06039	0.3
105.07057	0.9
107.04955	0.4
107.08619	1.3
109.06547	0.3
109.09451	0.4
109.10161	5.8
111.08089	0.6
113.06028	0.5
113.09657	0.8
117.07008	0.3
119.08588	3.1
121.06506	0.5
121.10139	0.9
122.07281	1.8
123.08082	1.0
123.11709	1.8
125.09628	0.4
129.09100	0.8
131.08604	0.4
133.10132	0.3
135.08128	0.4
135.11710	0.5
137.09622	12.0
138.09937	0.4
139.07600	0.3
141.09132	1.0
147.08022	0.3
147.11577	0.3
149.09630	1.7
151.07564	0.7
155.10742	0.2
157.08673	0.4
159.10239	0.3
159.11719	0.4
161.13286	0.2
163.07582	0.2
163.14882	0.2
165.09119	100.0
166.09454	3.3
168.81894	0.2
169.08594	0.4
175.11200	0.8
177.09154	0.3
179.10677	0.3
181.08621	0.2
187.09605	0.5
187.11153	0.2
189.12729	0.6
191.10645	0.2
201.11125	0.3
203.10674	0.8
203.14320	0.5
205.12257	1.6
273.22037	0.2
291.23209	0.6
299.19891	0.2
307.22653	0.2
317.21130	0.4
319.22717	0.4
337.23734	0.8
425.30539	0.5
443.31808	0.3
489.31558	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	489.3575
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03947	2.6
55.01885	1.0
55.05279	1.3
55.05519	17.3
57.03443	4.5
57.07088	1.3
59.05002	2.2
65.03934	1.5
67.05508	69.2
68.05845	1.1
69.03450	1.2
69.07071	12.3
71.04993	3.1
79.05494	26.6
81.07059	35.1
83.04988	2.3
83.08623	7.7
85.06573	2.2
87.64194	0.9
91.05489	25.1
93.07049	30.4
95.04977	2.6
95.08612	23.6
95.71196	0.9
97.06528	2.5
97.10172	4.4
98.22655	3.2
105.04472	1.2
105.07038	21.4
105.07677	1.1
107.08602	18.6
109.06525	1.5
109.10161	37.5
110.10541	1.1
111.08105	2.0
111.11790	0.9
117.07037	8.8
119.08588	25.6
121.06570	1.2
121.10144	16.6
121.10914	1.5
123.11717	2.3
125.09641	2.0
128.06213	1.3
129.07042	4.7
131.08580	16.1
133.10139	15.0
135.08089	1.5
135.11693	9.5
137.09662	3.1
139.11203	1.8
141.07053	2.1
143.08583	4.9
145.10126	16.0
147.08037	0.9
147.11685	11.3
149.09613	1.3
149.13301	5.0
155.08583	2.9
155.10701	2.9
157.10139	5.6
159.11713	11.0
161.13239	6.9
163.14871	1.4
169.10115	3.0
171.11736	6.4
173.11777	10.3
173.13301	7.9
175.14851	3.7
183.11725	4.6
183.33900	1.0
185.13235	4.9
187.14844	4.4
189.16449	1.0
197.13356	1.7
199.14851	3.3
201.16449	2.3
211.14905	2.0
213.14778	1.6
213.16556	1.7
217.75398	0.9
225.16586	1.2
227.18005	2.3
229.14322	1.6
237.16440	1.0
241.19630	1.2
243.21280	2.5
253.19640	1.0
259.20688	2.1
261.22168	7.9
271.20590	1.2
285.22192	1.9
287.23691	1.3
299.23828	2.4
315.23346	1.5
317.24811	2.8
329.24823	1.3
333.24207	1.3
363.25140	1.2
369.31580	1.7
377.27084	3.5
379.29926	11.3
387.03290	1.0
391.28305	2.2
397.30975	14.1
398.31268	1.5
405.84094	1.0
415.32297	4.7
433.32919	2.3
435.32635	1.6
471.34753	11.7
472.35327	1.8
489.35785	100.0
490.36102	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	489.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13300	0.4
51.02389	0.5
53.00303	0.6
53.03952	2.6
55.01871	1.4
55.05514	18.9
56.05874	0.5
57.03439	3.6
57.07070	2.2
59.05013	3.4
64.62141	0.5
65.03944	4.1
67.05507	100.0
68.05843	1.1
68.56553	0.5
69.03440	1.0
69.07070	11.7
71.04993	4.0
71.28526	0.6
73.06583	0.5
73.81575	0.5
77.03918	0.6
79.05496	33.8
80.05830	0.6
81.03446	0.5
81.07059	40.2
82.07396	0.6
83.04990	2.3
83.08619	9.6
85.06535	3.2
87.04470	1.0
89.00700	0.5
91.05482	27.8
93.07046	36.7
94.07393	1.1
95.04989	3.8
95.08609	28.8
96.08942	0.8
97.06539	3.6
97.10177	2.9
99.08102	1.2
103.05481	0.6
104.93407	0.4
105.04555	0.9
105.07034	19.8
107.08596	20.6
109.06534	1.2
109.10162	61.7
110.10487	1.5
111.08087	3.6
115.05456	1.0
117.07031	7.3
119.08581	23.5
121.10152	16.3
123.08076	1.3
123.11701	2.5
125.09647	2.2
127.11237	0.9
128.06245	0.8
129.07008	3.0
130.07814	0.6
131.08575	14.2
133.10130	13.9
135.08096	0.5
135.11690	9.3
137.09627	3.6
139.11157	1.1
141.07016	1.4
142.07735	1.0
143.08575	3.7
145.10129	13.3
147.11690	10.1
149.09653	0.8
149.13254	5.6
151.11192	0.6
154.18094	0.6
155.08575	2.6
155.10605	2.9
157.10147	3.8
159.11694	8.9
161.13269	6.2
163.14873	1.9
169.10155	2.2
171.11694	4.1
173.11761	17.4
173.13300	7.1
175.11203	0.5
175.14832	2.2
177.12755	0.9
177.16393	0.7
181.10097	0.6
183.11697	2.3
185.13228	3.4
187.14824	3.4
188.75850	0.6
189.12772	0.6
189.16339	0.7
193.10088	0.6
195.11821	0.7
197.13187	1.2
198.27881	0.7
199.14810	1.7
201.16415	1.3
207.19386	0.5
211.14912	1.9
213.14702	0.8
213.16457	1.2
221.13280	0.7
223.14891	0.6
225.16406	0.9
227.18167	1.1
229.14330	1.5
231.17450	0.7
235.14828	0.6
239.17830	1.1
241.19496	1.6
243.21169	3.1
245.19077	0.6
247.16988	0.6
255.21231	0.5
256.14642	0.5
257.18942	0.6
257.22766	0.6
259.20572	1.4
260.44016	0.5
261.22159	8.6
271.20651	0.6
273.21927	0.5
275.20135	0.8
285.22101	1.6
287.23380	0.9
295.24332	0.6
299.23700	1.0
300.34854	0.5
303.23282	0.6
311.23749	0.7
317.24734	2.5
320.12057	0.6
333.24133	0.7
377.26904	1.0
379.29892	5.7
391.28439	0.9
397.31015	8.0
398.31641	0.7
415.32050	3.5
433.33170	0.8
435.32855	0.8
471.34753	6.8
472.34836	0.6
489.35767	77.4
490.36191	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	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75449	2.9
53.03951	6.6
55.05518	23.8
57.03440	5.9
57.07070	5.4
59.05012	3.9
60.24613	2.4
65.03941	4.3
67.05508	94.4
69.07076	19.5
70.45607	2.7
79.05491	43.2
79.05917	4.6
81.03374	2.7
81.07060	51.9
83.04982	2.5
83.08624	11.6
85.06548	4.6
91.05489	33.7
93.07047	47.1
94.07291	2.4
95.04925	3.4
95.08598	36.8
97.10176	5.3
98.22611	5.7
105.07034	33.1
107.08607	25.7
109.10167	59.6
117.07029	10.8
119.08571	29.9
121.10149	17.1
123.11707	3.0
129.07008	4.3
131.08560	16.7
133.10139	16.7
135.11665	14.6
137.09590	4.2
143.08562	6.6
145.10071	16.8
147.11710	10.3
149.13261	7.4
157.10120	6.1
157.16920	2.8
159.11658	13.6
161.13330	5.9
171.11726	4.0
173.11763	20.1
173.13306	9.4
175.14864	4.0
183.11696	4.3
185.13266	4.1
187.14882	5.4
199.14912	4.7
211.14857	2.9
229.13780	3.2
261.22186	13.3
352.52243	2.7
379.29947	9.1
388.10806	2.5
397.31122	12.9
451.64603	2.7
471.34811	7.6
489.35770	100.0
490.35950	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	490.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
53.03951	6.2
55.01878	0.6
57.03447	0.7
61.02925	0.3
68.24017	0.3
69.03432	5.7
71.04997	0.9
73.02913	0.7
77.03922	1.6
79.05499	3.5
81.03423	16.2
85.02912	6.2
85.03429	0.3
95.04972	6.1
97.02277	0.6
97.02898	9.3
99.03915	0.3
99.04464	1.8
104.04955	0.7
105.03396	100.0
105.04542	3.4
106.03734	1.9
108.04508	0.9
109.02879	7.9
123.04433	6.1
123.05315	0.4
126.20405	0.3
127.03919	7.4
132.04453	10.0
136.03918	1.6
145.05019	2.1
150.05492	0.4
160.03951	14.3
161.04350	0.4
164.03439	12.8
165.09116	0.3
178.04997	99.6
179.05339	2.2
188.03435	0.3
192.79811	0.3
195.56895	0.3
202.05011	0.5
206.04500	26.6
207.04745	0.5
220.06123	1.7
224.05544	53.8
225.05870	1.2
229.20436	0.3
249.07591	16.7
250.07887	0.3
267.08734	2.7
287.05505	1.8
478.67343	0.3
490.13596	0.5
518.43585	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	490.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03953	7.7
54.87755	0.6
57.03449	0.6
60.57767	0.7
60.88771	0.6
66.23514	0.5
68.27077	0.5
68.35439	0.5
69.03429	5.2
69.27180	3.5
69.27604	1.0
71.05003	0.7
77.03929	1.4
79.05496	3.2
81.03423	16.5
85.02918	5.2
95.04982	5.9
97.02889	9.1
97.10207	0.8
99.04455	2.3
105.03396	100.0
105.04539	3.3
106.03731	2.0
108.04472	1.0
109.02882	7.7
122.56461	0.6
123.04440	5.1
127.03912	7.6
132.04457	10.0
136.03905	1.8
145.04950	1.9
160.03940	13.3
160.05157	1.2
164.03436	11.2
178.05002	99.3
179.05315	2.0
206.04501	22.8
220.06140	1.4
224.05550	45.8
225.05821	1.3
249.05164	1.2
249.07599	16.3
249.10193	0.8
267.08618	2.4
287.05435	1.4
327.81866	0.8
346.82382	0.7
502.89001	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	490.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01846	0.9
57.03402	1.4
61.02889	1.7
69.03436	6.1
71.04973	0.6
73.02910	1.1
81.03368	2.2
85.02911	10.9
87.04425	1.5
91.05430	1.6
94.04147	0.9
94.11104	0.5
95.04938	0.5
97.02898	3.8
98.23437	1.3
103.03891	0.7
103.05418	1.5
109.02835	1.4
115.05399	1.8
119.04890	1.1
121.06489	0.7
122.03607	1.7
123.04370	1.4
127.03922	2.8
130.06468	0.7
131.04944	2.9
133.06467	0.7
135.04405	0.6
137.02327	0.9
137.05986	37.2
138.06241	0.6
143.04935	3.8
145.04984	1.2
146.06013	0.6
147.04407	2.8
148.07536	1.2
149.06007	3.9
150.05544	3.2
151.03836	1.8
151.07481	1.4
152.07014	1.5
153.01767	1.6
161.05997	5.1
162.05525	4.1
163.06306	5.2
164.07083	10.7
165.07019	0.8
167.08551	0.5
175.03906	3.6
176.04672	0.6
176.07104	4.7
177.05444	1.3
177.06879	1.0
179.08501	0.8
181.06474	0.5
192.06516	1.5
194.09825	0.6
204.06595	3.6
204.08218	0.9
205.04674	5.8
205.06512	5.8
207.08054	1.1
211.07590	0.8
219.07970	0.6
221.05930	1.6
222.06750	2.0
223.07549	6.0
225.09074	1.7
228.10098	0.9
229.04958	0.5
232.07629	0.9
233.06009	5.0
234.06645	0.7
237.09117	2.4
238.08594	0.5
239.07069	1.1
240.07909	0.6
249.08006	0.5
250.06223	6.0
250.08643	5.3
251.07030	11.1
252.07625	1.6
253.08574	2.4
256.09702	1.0
261.05466	1.3
263.06989	1.1
265.08627	7.8
266.07806	2.5
267.06339	1.1
267.08835	0.6
268.07272	1.0
268.09698	8.2
271.09686	1.2
278.05655	5.2
278.08157	7.7
279.06256	4.5
279.08908	1.3
280.07092	1.1
281.08066	1.0
282.11252	0.7
283.09677	4.3
284.09216	2.1
285.09946	12.2
286.10254	0.6
287.05511	19.5
292.09692	1.0
293.04742	0.9
293.08081	18.5
294.08206	1.6
295.08432	2.9
296.06577	1.3
298.10840	0.8
299.09161	9.2
300.12320	34.4
301.06995	1.8
301.12619	2.1
310.10751	13.6
311.09119	17.1
312.09445	1.1
328.11804	100.0
329.06665	3.3
329.12119	5.7
335.09521	0.8
336.09766	0.8
359.00403	0.5
370.13037	1.0
461.14670	0.7
473.14413	1.2
490.17111	61.4
490.23364	5.6
491.16135	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
57.03412	1.5
61.02902	1.5
69.03435	6.9
71.04991	0.7
73.02895	1.2
81.03417	2.6
81.93432	0.5
84.37877	0.5
85.02444	0.8
85.02911	12.4
87.04453	1.7
91.05463	2.0
97.02892	3.6
98.22590	1.8
99.04440	0.9
103.03922	1.1
103.05478	1.3
109.02874	1.3
109.06526	0.7
115.05441	2.6
116.97795	0.6
119.04958	0.9
121.06477	2.1
122.03623	2.0
123.04455	1.5
127.03909	1.6
131.04901	2.2
133.06480	1.0
134.06003	1.0
136.05228	0.6
137.05988	41.7
138.06284	1.0
143.04948	3.2
145.04987	1.2
146.06004	1.4
147.04428	3.0
148.07547	0.9
149.05986	5.1
150.05521	3.5
151.03900	1.7
151.07533	0.9
152.07062	1.6
153.01862	0.9
153.72366	0.6
158.06046	0.8
161.05988	3.8
162.05470	2.9
163.06335	5.4
164.05821	0.9
164.07092	12.9
165.07167	0.9
175.03947	4.7
176.07098	3.6
177.05452	1.4
177.06897	1.3
179.08592	0.7
185.45006	0.6
186.05476	1.1
190.04982	0.8
191.05734	0.6
192.06523	1.5
194.07399	0.6
197.05954	0.7
200.00815	0.6
203.03197	0.6
204.06583	3.1
204.08157	0.6
205.06487	6.4
206.07217	0.7
207.08008	1.1
211.07512	1.0
221.06090	0.8
222.06752	1.6
223.07515	5.4
225.09229	1.1
229.38528	0.6
229.40691	0.7
232.07603	1.2
233.06026	4.3
234.06697	0.8
235.07512	0.9
237.05319	0.7
237.09300	2.6
239.07031	1.8
242.08263	0.6
249.05495	1.3
250.06161	4.3
250.08664	5.5
251.07053	11.5
251.09407	1.0
252.07748	1.6
253.08600	1.5
261.05502	1.2
263.06952	1.1
265.08594	7.9
266.08243	1.0
267.06500	0.8
268.07196	1.0
268.09702	7.4
270.09018	0.6
271.09686	1.7
278.05676	5.7
278.08185	7.1
279.06281	4.0
279.08969	2.2
281.08191	1.6
283.09686	5.7
284.09171	2.3
285.09973	12.7
287.05600	4.6
292.09790	0.6
293.04758	1.1
293.08060	19.5
294.08551	1.4
295.08405	3.8
296.06787	1.6
299.09171	8.1
300.12326	35.9
301.12579	1.8
310.10764	16.0
311.09079	17.9
312.09073	1.2
328.11804	100.0
329.06506	1.7
329.12115	6.3
370.12784	1.8
441.38062	0.6
472.16150	0.7
473.14505	1.1
490.17075	70.6
491.16718	4.7
491.23926	2.9
497.50217	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	490.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01873	0.7
57.03440	1.9
61.02928	2.1
69.03432	6.3
69.16647	2.4
69.17071	0.6
70.06604	0.6
71.01350	0.4
71.04982	0.7
73.02919	1.5
79.05498	0.4
80.44339	0.3
81.03438	2.4
81.07063	0.4
85.02916	12.2
86.79637	0.3
87.04465	1.0
91.03939	0.6
91.05480	1.2
97.02901	3.7
101.02409	0.5
103.03947	1.2
103.05476	0.6
104.92394	0.4
109.02885	1.3
109.06512	0.4
115.05488	1.1
116.06938	0.4
119.04970	0.8
121.06508	0.8
122.03678	1.5
122.06020	0.3
123.04428	1.1
125.05977	0.7
127.03924	2.2
131.04929	0.9
133.06512	0.6
134.05925	0.4
137.05983	22.4
138.06311	0.7
139.15486	0.3
143.04926	2.2
145.02870	0.4
145.05005	0.5
146.06024	0.8
147.04414	1.9
148.07562	1.2
149.06018	2.1
150.05527	3.2
150.06651	0.5
151.03932	1.1
151.07530	0.6
152.07086	0.6
153.01883	0.8
158.06020	0.5
161.06017	2.5
162.05504	2.9
163.06316	3.8
164.07092	6.4
165.07111	0.5
175.03923	2.8
176.07132	2.1
177.05589	0.6
177.06946	0.4
179.08562	0.8
179.77820	0.3
186.05542	0.4
187.03966	0.4
192.06590	0.7
194.07159	0.5
195.08008	0.4
204.06555	2.4
204.08171	0.4
205.06487	4.1
207.08113	0.8
210.06830	0.4
211.07599	0.5
219.08127	0.5
221.06029	0.8
222.06772	1.3
222.09093	0.5
223.07549	3.2
224.08284	0.5
225.09087	0.5
228.10219	0.4
233.06050	2.5
234.06726	0.6
235.07526	1.0
237.09189	1.2
238.08681	0.6
239.07062	0.7
240.07803	0.4
240.10271	0.5
249.05510	0.5
249.07819	0.7
250.06267	3.2
250.08702	2.6
251.07048	6.2
252.07626	1.0
253.08569	1.3
261.05533	0.8
263.07086	0.9
265.08636	4.0
266.08228	1.0
267.06503	1.0
267.09030	0.4
268.07104	0.7
268.09677	4.8
269.10358	0.4
271.09457	0.7
272.13016	0.4
277.07495	0.5
278.05713	4.1
278.08194	4.1
279.06335	2.6
279.08691	0.5
280.07364	0.5
281.07858	0.6
283.09634	2.9
284.09238	0.7
285.09973	7.4
286.10489	0.6
287.05637	0.9
292.09842	0.5
293.08087	10.0
294.08102	0.9
295.08472	2.2
296.06732	1.2
298.10773	1.4
299.09070	4.6
299.11652	0.4
300.12332	19.2
301.12631	1.3
308.09305	0.6
310.07251	0.4
310.10806	6.8
311.09079	10.2
312.09424	0.9
328.11807	100.0
329.12164	6.2
342.13333	0.9
370.12738	1.6
431.60617	0.4
462.17175	0.4
473.14886	0.4
490.17096	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	490.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13858	0.7
51.67230	0.6
53.03941	1.4
57.03443	1.4
61.02926	1.2
69.03430	5.7
69.17534	3.5
69.17946	1.1
70.06621	0.7
71.01333	0.8
71.04983	0.6
73.02908	1.3
78.95203	0.5
81.03402	1.5
85.02434	0.8
85.02914	11.2
87.04469	0.7
91.03987	0.6
91.05461	1.5
92.05785	0.8
93.07034	1.3
94.04181	0.9
96.37202	0.6
97.02911	3.3
99.04476	0.7
101.02409	0.6
103.05491	0.8
109.02893	1.8
119.04926	1.3
121.06517	5.4
122.03605	1.2
123.04444	0.8
127.03927	1.9
131.04927	1.7
137.05984	20.5
143.04927	2.2
145.05127	0.8
147.04424	1.7
148.07599	1.0
149.06006	2.0
150.05536	2.2
151.03897	1.1
153.01772	1.1
161.05995	2.1
162.05461	2.2
163.03964	0.7
163.06284	3.2
164.07063	6.6
175.03926	2.4
176.07083	1.8
177.05540	0.6
177.06883	0.8
192.06435	0.8
204.06563	2.3
205.06448	3.7
207.08092	0.7
209.06078	0.7
223.07567	2.9
228.10371	0.7
233.06056	1.6
234.06659	0.8
235.07617	0.8
239.07036	1.0
240.10146	0.9
249.07867	0.8
250.06242	4.2
250.08685	3.4
251.07034	6.9
252.07741	1.0
252.10442	0.7
253.08516	1.2
261.05545	0.8
265.08615	4.1
266.08105	0.9
267.06592	0.7
268.07086	0.8
268.09778	4.2
272.13028	0.7
278.05649	3.5
278.08258	4.3
279.06424	2.3
281.07938	0.9
283.09625	3.3
284.09164	0.9
285.09937	8.0
287.05499	2.3
293.08060	12.7
294.08154	1.1
295.08633	1.9
296.06763	0.8
298.10788	1.1
299.09094	4.3
300.12305	20.1
301.12479	0.9
309.09479	0.7
310.10724	6.3
311.09027	8.9
312.09625	0.8
328.11804	100.0
329.12170	4.9
370.13177	1.3
472.12292	0.9
475.12341	0.7
490.16403	4.9
491.22824	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	490.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.9
55.01876	3.4
65.03935	3.5
69.09560	19.7
78.47787	2.3
81.00671	2.3
91.05474	29.6
93.07045	25.4
95.04970	8.8
98.23358	5.6
103.05463	25.2
105.07037	6.8
105.90884	2.6
107.04969	4.6
119.04939	6.1
120.05735	19.6
121.06509	97.9
121.07366	5.4
122.03714	2.8
122.06885	3.5
126.30964	2.6
131.04950	5.2
133.02843	34.1
133.06502	9.6
135.04419	7.0
136.07570	4.2
137.05971	17.3
145.06490	2.7
146.06062	2.8
147.04463	2.9
149.02370	3.4
149.05986	19.9
150.06732	12.7
151.03951	5.5
161.05899	2.7
162.06685	2.5
164.07092	17.5
165.05466	4.4
165.09119	8.1
167.07063	8.8
168.07280	3.4
177.05534	19.3
181.04988	7.2
182.05301	2.8
189.05508	7.4
189.06976	3.2
203.07057	9.3
205.06541	5.0
206.07271	2.4
218.07254	5.4
219.08083	5.5
221.09592	3.0
234.06818	8.8
235.07571	4.6
246.03775	2.7
247.07500	7.2
248.08435	2.6
249.05641	3.1
249.09073	4.2
250.06215	3.3
251.07002	4.7
260.04761	8.2
261.05508	4.8
261.09253	4.0
262.06253	7.5
263.07190	4.8
265.08691	6.0
267.06543	18.1
275.07047	30.4
276.07794	7.9
277.05457	3.0
277.08621	13.9
278.08902	3.3
291.10196	5.4
292.07275	10.9
293.08105	5.0
295.06036	10.5
295.09476	2.9
303.06519	63.1
304.07159	9.8
305.08115	18.2
307.09692	5.9
310.08386	38.7
320.06296	4.1
320.09503	6.0
323.09146	21.4
325.10733	51.9
327.12332	19.2
335.09131	100.0
336.09528	9.3
353.10034	15.8
430.86755	2.8
455.15079	5.8
472.17297	4.3
490.18506	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31395	1.9
69.31817	1.4
70.06605	0.6
72.08124	0.7
79.05470	0.8
86.09692	0.6
88.95531	0.6
91.05502	1.0
93.07085	0.8
103.05472	7.5
107.04962	1.2
120.08112	100.0
121.08426	2.6
131.04895	2.9
149.05972	1.7
153.01836	1.5
163.03853	0.5
166.08650	50.1
167.08990	1.5
189.09146	0.7
207.10107	0.7
229.96759	0.6
287.05447	2.1
338.64648	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	491.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.37476	0.5
55.01852	0.7
57.03429	0.8
59.56948	0.5
67.05524	0.8
68.70070	0.5
69.03432	14.6
69.20613	3.5
70.06567	0.6
79.01847	2.3
80.01045	0.6
81.03413	1.4
81.07056	0.5
85.02898	1.4
89.03909	3.9
91.05473	1.3
93.07042	0.7
95.08646	0.5
97.02894	18.6
105.07021	0.7
107.01351	0.7
109.02885	1.1
115.03931	13.1
117.03374	8.2
121.06492	1.2
123.00948	0.5
125.02370	0.9
127.03925	0.7
134.03632	0.8
137.05969	0.6
139.53371	0.5
143.03401	2.2
145.02847	17.0
147.04443	0.6
149.05980	2.1
153.01834	35.8
153.02927	2.2
154.02159	0.7
161.06032	0.9
162.03198	0.7
169.13249	0.6
173.02385	0.7
177.05472	32.2
178.05817	1.3
190.02657	1.0
199.03920	0.6
201.01910	2.7
215.03391	1.3
217.05057	0.7
218.02139	1.4
227.03429	0.8
229.01302	1.4
230.02061	0.8
243.02934	3.3
244.95111	0.5
245.04591	0.6
246.01620	3.4
247.02319	0.8
247.46407	0.6
257.00830	14.9
258.01328	1.8
261.03986	0.8
271.02310	1.5
273.03912	1.0
274.01135	1.5
285.00336	7.1
286.01041	2.1
287.05502	7.6
289.03537	1.6
290.89734	0.6
299.01849	1.4
302.00574	18.4
303.00900	0.8
317.02914	100.0
318.03275	5.1
347.14215	0.5
356.03735	0.6
473.10638	1.9
491.19073	6.1
492.20328	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	491.1185
Annotation	Dalspinin 7-O-galactoside
Peak:m/z	Relative Intensity
60.20300	0.2
62.76154	0.2
68.99795	2.6
70.45164	0.2
71.33084	0.3
74.52503	0.2
81.03394	0.3
85.28416	0.2
87.51241	0.2
97.33457	0.2
101.02378	0.7
105.06974	0.2
111.00815	0.4
123.04444	1.4
137.02339	1.3
139.05386	0.3
145.06499	0.4
147.04402	0.6
149.02325	0.3
153.01761	0.4
155.04875	0.7
157.06424	0.4
157.18147	0.2
161.05879	0.3
167.03426	0.8
173.05957	3.6
175.03922	0.5
183.04454	0.9
185.06010	1.2
189.01823	0.7
189.05440	0.4
197.06021	0.4
199.03893	1.1
201.05489	4.0
202.02594	0.4
203.03398	4.4
203.07057	0.8
213.05476	4.2
214.05917	0.3
218.05791	0.9
227.03340	0.6
227.07074	0.5
231.06516	1.3
233.08096	0.6
241.04994	1.6
245.08118	0.7
258.05258	0.3
259.06024	5.5
260.06433	0.3
269.04419	1.4
271.06232	0.3
273.07602	0.8
283.06082	0.4
285.03854	1.4
286.04712	1.5
287.05502	41.1
288.05881	1.8
301.07056	1.1
311.18741	0.3
312.99677	0.4
313.03409	8.8
314.04187	8.5
329.06558	100.0
330.06857	5.7
475.27341	0.3
491.11853	2.2
491.25107	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	491.1185
Annotation	Kaempferol 3-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
65.49850	0.1
68.99785	0.4
69.03422	0.2
70.85643	0.1
72.08134	0.2
72.29576	0.1
79.06849	0.1
81.03407	0.2
85.02904	0.1
86.09693	0.3
95.19730	0.1
109.02903	0.3
115.05437	0.3
117.06972	0.1
121.02841	0.3
121.06473	0.4
123.04420	0.2
128.06154	0.2
129.06914	0.2
137.02347	2.2
137.03386	0.2
138.09184	0.1
141.06903	0.2
143.04897	0.2
149.02333	0.5
150.03229	0.1
157.06493	0.4
161.05995	0.4
162.07617	0.1
165.01759	0.3
167.05013	0.1
171.04460	0.2
175.03899	0.4
175.07452	0.2
185.05951	0.9
189.05467	0.3
195.04359	0.1
203.07034	0.2
213.05478	2.3
216.04201	0.3
222.21761	0.1
231.06508	0.9
241.04910	1.4
259.06226	0.3
269.04337	0.5
269.72119	0.1
287.05487	100.0
288.05811	4.2
491.11777	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	491.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
54.10933	0.6
54.11236	0.6
55.65294	0.6
55.79599	0.6
56.07182	0.7
60.31822	0.6
61.02905	1.7
67.05489	1.4
68.99776	0.9
69.03436	7.8
70.06561	2.4
70.51438	1.5
70.51812	0.9
70.86436	0.6
71.04966	2.1
73.02888	1.0
75.04483	0.7
79.05450	2.3
79.66665	0.6
81.03415	6.5
81.07029	1.5
83.68356	0.6
85.02904	7.5
86.09700	3.6
91.05434	0.8
92.19894	0.6
92.20406	0.6
93.07043	3.8
95.04945	1.1
95.08605	1.3
97.02896	19.6
99.04423	2.8
105.03383	0.8
105.06992	1.3
107.04891	0.8
107.08549	0.7
109.02863	2.3
111.00812	0.9
119.08540	1.2
120.08028	1.0
121.02892	3.3
121.06503	3.6
121.10117	2.4
123.04446	0.6
127.03899	3.7
131.08516	0.7
137.02339	1.4
137.05991	4.5
139.03857	2.0
143.04759	0.7
143.44101	0.7
145.04962	7.4
147.04411	0.9
149.09604	1.8
152.04353	0.6
153.01817	6.0
162.02858	1.1
162.05530	4.0
163.03828	1.0
163.05791	2.3
164.07216	0.9
165.01855	1.5
165.09094	1.4
167.10713	0.8
175.03935	0.7
185.05972	0.9
187.07498	0.8
187.14391	1.1
201.05476	2.4
202.08598	0.8
213.05486	1.6
215.13866	0.7
231.06439	1.2
241.04898	1.2
256.62454	0.7
258.05301	0.7
287.05493	100.0
288.05786	4.8
311.12900	0.9
314.61887	0.7
338.13684	1.3
351.14145	1.3
455.28049	2.8
473.28729	1.1
491.18875	66.5
492.19705	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	491.1186
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
55.05513	3.2
61.02931	2.3
67.05512	3.8
68.78562	1.9
69.03433	71.9
69.20306	1.9
69.22924	14.1
70.06599	2.6
71.04996	6.3
71.97563	2.0
72.08159	2.0
74.09714	3.4
81.03413	3.6
83.04984	15.9
85.02897	5.9
86.09715	6.8
91.05505	3.0
93.07041	3.8
95.04938	2.5
98.23394	4.5
108.69713	2.2
109.02869	2.4
111.04475	13.7
120.08093	2.0
123.04430	4.7
129.05478	29.9
137.02353	3.9
139.03958	4.1
153.01839	6.4
162.05519	3.4
165.01851	3.5
165.09148	2.1
177.05499	2.6
184.07317	2.0
189.07600	8.7
201.05569	2.4
229.04967	6.0
229.63257	1.9
240.20009	1.9
257.04437	4.0
285.04129	2.9
287.05420	14.0
303.04999	100.0
304.05255	4.7
315.04922	4.3
345.06143	2.4
352.78171	2.7
395.07773	3.0
413.08524	2.7
455.27762	3.5
491.18951	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	491.1187
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03923	2.0
54.10933	0.6
54.11236	0.6
55.65294	0.6
55.79599	0.6
56.07182	0.7
60.31822	0.6
61.02905	1.7
67.05489	1.4
68.99776	0.9
69.03436	7.8
70.06561	2.4
70.51438	1.5
70.51812	0.9
70.86436	0.6
71.04966	2.1
73.02888	1.0
75.04483	0.7
79.05450	2.3
79.66665	0.6
81.03415	6.5
81.07029	1.5
83.68356	0.6
85.02904	7.5
86.09700	3.6
91.05434	0.8
92.19894	0.6
92.20406	0.6
93.07043	3.8
95.04945	1.1
95.08605	1.3
97.02896	19.6
99.04423	2.8
105.03383	0.8
105.06992	1.3
107.04891	0.8
107.08549	0.7
109.02863	2.3
111.00812	0.9
119.08540	1.2
120.08028	1.0
121.02892	3.3
121.06503	3.6
121.10117	2.4
123.04446	0.6
127.03899	3.7
131.08516	0.7
137.02339	1.4
137.05991	4.5
139.03857	2.0
143.04759	0.7
143.44101	0.7
145.04962	7.4
147.04411	0.9
149.09604	1.8
152.04353	0.6
153.01817	6.0
162.02858	1.1
162.05530	4.0
163.03828	1.0
163.05791	2.3
164.07216	0.9
165.01855	1.5
165.09094	1.4
167.10713	0.8
175.03935	0.7
185.05972	0.9
187.07498	0.8
187.14391	1.1
201.05476	2.4
202.08598	0.8
213.05486	1.6
215.13866	0.7
231.06439	1.2
241.04898	1.2
256.62454	0.7
258.05301	0.7
287.05493	100.0
288.05786	4.8
311.12900	0.9
314.61887	0.7
338.13684	1.3
351.14145	1.3
455.28049	2.8
473.28729	1.1
491.18875	66.5
492.19705	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	491.1891
Annotation	Toonaciliatin J
Peak:m/z	Relative Intensity
53.06503	0.2
53.28555	0.2
58.47344	0.2
70.88863	0.5
73.62574	0.2
79.05490	0.4
79.48685	0.2
85.02895	0.4
86.09721	0.4
91.05494	0.4
93.07034	0.3
97.10097	0.2
105.07065	0.5
119.35123	0.2
121.06552	0.6
121.10181	0.3
122.03561	0.2
137.05998	0.4
142.50002	0.2
147.00546	0.4
162.02878	2.9
169.04773	0.8
184.54050	0.2
189.68787	0.2
201.05472	0.3
202.66251	0.2
207.09927	0.3
230.83171	0.2
248.61650	0.2
248.68938	0.2
249.11082	0.3
273.24054	0.2
287.05511	5.6
288.05942	0.6
317.02780	0.3
351.13931	1.2
390.91553	0.3
414.82040	0.3
473.18399	0.3
491.18903	100.0
492.19241	8.1
492.26559	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	491.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83172	2.8
66.99342	2.1
69.03439	16.7
69.94228	8.1
75.34087	2.2
79.05506	2.6
81.07031	2.7
85.02927	4.1
93.85336	2.5
95.04990	2.7
95.08632	2.8
97.02890	20.4
115.03952	10.8
117.03391	8.7
121.06495	4.1
121.10142	3.1
137.05986	7.6
143.90572	2.3
145.02864	19.5
151.07544	4.2
153.01837	27.8
175.07722	2.9
177.05486	32.4
178.05951	4.5
243.03040	4.2
246.01601	5.1
257.00931	13.2
285.00281	5.7
285.86234	2.8
287.05399	4.7
302.00571	19.4
311.09778	2.7
317.02936	100.0
317.06668	5.4
318.03226	8.8
358.14746	2.9
414.12698	2.9
491.18546	77.7
492.19302	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	491.3002
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03950	3.9
55.01869	4.6
55.05512	7.7
57.03445	1.2
63.38130	0.8
65.03938	2.0
65.95654	0.7
67.05507	25.3
68.99781	2.8
69.03431	6.1
69.06742	0.8
69.07076	10.3
69.18922	5.1
71.01341	0.9
71.04992	3.2
79.05495	23.8
81.03418	70.1
81.07057	21.8
83.01340	2.3
83.04978	2.5
83.08617	4.3
85.02908	1.6
85.06547	1.5
91.05479	19.3
93.03410	1.3
93.06480	1.4
93.07048	22.4
93.07630	1.7
95.01329	1.4
95.04969	15.3
95.08607	14.4
97.02893	2.8
97.06528	5.2
97.10175	3.2
98.13961	0.7
99.00790	1.6
99.08074	1.0
103.05472	1.4
105.04486	1.2
105.07016	11.2
107.04955	10.7
107.08608	9.7
109.02881	1.3
109.06519	5.7
109.10146	6.6
111.00793	3.1
111.04465	2.8
111.08089	2.4
113.02382	0.9
117.07032	7.9
117.58261	0.8
119.04943	1.8
119.08567	8.0
121.02883	3.6
121.06506	11.6
121.10144	9.3
123.04437	5.8
123.08044	2.7
123.11704	2.2
125.02351	2.5
125.09619	3.0
127.03943	4.8
128.06256	1.2
129.07014	3.1
131.08575	8.7
133.06477	2.3
133.10114	6.3
135.04430	1.2
135.08066	5.3
135.11650	5.6
137.05974	3.8
137.09557	1.0
139.03897	34.1
141.05557	1.2
141.06989	1.2
143.08551	3.3
145.06490	3.8
145.10077	4.6
147.04349	0.8
147.08055	3.2
147.11710	3.5
149.05977	1.4
149.09625	1.9
149.13281	1.2
151.03912	10.4
151.07552	1.6
151.11176	1.3
153.05479	1.9
155.03337	1.1
155.08530	1.9
157.05045	1.1
157.06465	2.3
157.10104	1.9
159.08066	2.1
159.11716	2.0
161.05954	2.0
161.09651	1.9
161.13222	2.5
163.03911	3.8
163.07518	8.7
163.57042	0.8
165.05478	5.6
165.09105	0.8
167.03407	5.2
169.10135	1.6
171.08047	2.5
171.11700	1.2
173.05949	1.5
173.09576	1.4
173.13257	1.2
175.03928	9.4
175.07516	1.9
175.11159	0.9
177.05479	2.8
179.07018	1.5
181.04987	2.0
181.08665	1.9
185.13350	1.2
189.05420	1.1
189.09154	1.4
191.07065	2.7
193.05000	4.1
193.12317	1.1
195.11708	1.1
197.09656	1.3
199.07571	1.6
199.11070	1.0
201.05507	2.3
203.07004	2.4
203.17924	1.5
205.08578	2.8
215.07095	1.3
215.17918	1.2
217.08572	12.7
219.06482	2.3
219.13792	1.3
223.09651	2.4
235.09584	3.8
273.14807	1.1
275.20300	1.3
301.18039	1.1
317.21069	2.2
359.22104	2.0
367.22635	3.7
385.23651	3.8
386.24033	1.1
387.21527	1.6
409.27353	1.7
411.25101	1.2
419.25894	5.5
437.26846	29.5
438.26947	1.7
447.23093	1.2
455.27917	100.0
456.28262	10.1
459.27420	7.1
460.27707	1.0
473.28964	28.5
474.29230	2.9
491.22415	8.3
491.29843	10.0
492.22733	1.4
492.30161	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	491.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.2
53.03948	6.9
55.01876	6.8
55.05509	14.3
56.69359	2.2
57.07074	2.2
65.03931	6.8
67.01854	3.4
67.05508	57.2
67.69197	2.2
68.99791	43.5
69.03431	7.6
69.07083	21.0
69.51010	11.5
71.01379	6.1
79.05495	46.4
81.03425	51.5
81.07058	50.0
83.04992	3.9
83.08630	11.1
85.02926	2.4
85.06536	4.2
91.05491	30.6
93.07050	44.8
95.01337	8.9
95.04979	41.5
95.08611	52.4
97.02876	5.4
97.05994	2.2
97.06515	14.1
97.10149	4.2
99.08046	2.3
100.61739	2.8
103.05424	3.9
105.04530	2.9
105.07052	19.5
107.04980	14.7
107.08595	17.4
109.02857	3.5
109.06554	5.6
109.10162	12.5
111.00037	4.9
111.00813	100.0
111.04440	7.3
111.08076	5.9
115.05431	3.1
117.07024	13.3
119.08602	15.3
121.02892	6.6
121.06522	27.7
121.10141	21.4
123.04410	5.1
123.11716	5.7
127.03925	54.9
129.07014	8.1
131.08585	13.6
133.06512	6.7
133.10123	14.4
135.08080	16.5
135.11685	12.0
137.02283	3.0
137.05981	15.8
137.09676	4.0
139.03882	16.0
143.08580	4.9
145.06468	4.2
145.10138	8.8
147.04410	3.6
147.08060	6.8
147.11676	6.6
149.13290	3.3
151.03909	2.8
153.01939	3.6
155.03395	41.1
155.06992	2.8
157.04996	22.6
159.08058	4.9
159.11676	5.4
161.05975	5.6
161.09587	3.7
161.13229	4.4
163.03879	13.4
163.07556	26.3
165.05515	4.1
173.13252	3.0
175.03957	2.6
177.05464	3.0
181.05014	29.7
181.08612	10.1
187.07539	3.6
189.05479	8.5
191.07072	2.9
194.05804	2.4
199.06026	7.4
205.08601	49.8
206.08929	3.0
207.06551	18.7
215.17978	4.3
217.08562	4.3
223.09663	95.1
223.11841	5.2
251.20058	7.1
260.75171	2.7
277.17969	6.9
311.23291	2.8
329.24603	4.8
351.21777	7.9
419.25720	3.0
437.26813	14.6
455.27972	37.4
456.28436	4.9
473.28967	59.3
474.29468	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	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.92110	1.5
53.03945	5.7
55.01884	9.1
55.05513	30.1
57.03442	8.1
59.05013	1.8
65.03938	4.0
67.05505	43.6
68.76544	1.7
69.03448	2.6
69.07063	13.8
69.14693	9.5
69.15103	2.6
71.05000	16.9
77.03957	1.8
79.05494	51.4
81.03423	10.6
81.07066	47.1
83.04980	8.5
83.08627	12.0
85.02893	2.2
85.06562	3.8
91.05484	36.4
91.06015	2.6
93.06471	3.4
93.07047	45.1
93.69068	1.5
95.04971	26.8
95.08611	18.8
97.06509	8.2
97.10176	17.2
99.08119	1.7
103.05444	1.9
105.04489	1.7
105.07028	25.2
107.04959	40.2
107.08585	21.6
109.06514	26.4
109.10165	12.6
110.77181	1.5
111.08114	4.9
115.01772	1.7
115.05475	2.6
117.07021	16.9
118.53748	1.5
119.04946	2.8
119.08594	14.1
121.06510	38.0
121.07363	2.7
121.10144	20.4
123.04440	2.0
123.08078	6.8
123.11739	4.3
125.09635	15.0
127.24135	1.6
129.07010	9.4
131.04958	6.2
131.08577	19.5
133.06500	7.5
133.10191	8.6
135.08051	14.2
135.11731	6.3
137.05971	3.0
137.09641	5.1
139.11197	3.9
141.07001	5.7
143.08591	8.2
145.06512	15.2
145.10127	9.9
147.04407	3.0
147.08073	9.8
147.11717	5.4
149.06010	2.1
149.09610	9.3
151.07584	2.8
153.09122	3.3
155.08600	5.1
157.06557	4.9
157.10135	4.9
159.08113	7.0
159.11768	5.0
161.06029	4.2
161.09656	7.2
163.11143	7.6
165.07103	1.9
165.09125	24.6
167.08585	2.8
167.10767	5.5
169.10156	4.1
171.08058	3.3
171.11728	7.2
173.09665	5.3
173.13324	5.5
174.72536	1.7
175.07582	3.7
175.11247	4.7
177.12781	1.8
180.84441	1.8
181.10167	3.0
181.12282	1.8
183.08173	2.1
183.11778	3.9
185.09627	3.2
185.13307	4.3
187.11217	4.3
187.14853	2.1
189.09332	2.6
189.11243	8.3
189.12747	2.5
191.14247	8.0
193.12357	2.3
195.11790	4.2
197.09650	2.1
197.13228	3.2
199.11440	3.1
199.13350	7.8
201.12805	3.8
205.12178	3.6
209.13324	2.1
211.11340	2.6
213.12790	3.0
215.14426	4.6
219.13818	16.2
223.11205	2.9
223.13239	3.4
227.12703	2.2
229.15942	2.5
231.13832	2.7
233.15424	5.4
237.12799	3.5
247.16986	4.4
249.15044	4.9
255.13803	3.1
257.15390	2.5
271.16821	1.6
273.14865	8.9
275.16397	8.5
287.05676	1.8
287.16476	4.4
293.17505	1.8
321.22214	3.3
339.23257	5.0
349.21518	14.0
357.24216	2.2
367.22656	33.6
368.23123	4.3
385.23761	32.0
386.24289	3.5
399.25345	4.0
403.24844	7.9
417.26486	5.8
423.25153	2.1
441.26404	6.7
459.27423	54.5
460.27890	5.9
473.29172	11.7
491.30118	100.0
492.30402	9.9
501.71497	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	491.3003
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03946	12.9
54.43006	1.7
55.01875	3.3
55.05273	2.6
55.05515	33.8
56.63573	1.6
57.03438	14.2
59.59933	1.9
65.03932	5.7
67.05508	62.9
69.03435	2.9
69.07068	14.0
69.54490	1.7
71.04990	6.6
71.08626	4.7
79.05495	86.5
81.03421	59.9
81.07062	66.0
82.07341	2.6
83.04983	20.8
83.08631	28.8
85.02914	13.3
85.06535	3.2
91.05485	100.0
92.05827	2.0
93.07053	62.4
95.04975	41.3
95.08608	30.2
97.06533	6.0
97.10172	12.8
99.08112	3.3
103.05486	3.1
105.04537	3.7
105.07035	51.5
107.04961	11.7
107.08597	19.2
109.06508	11.7
109.10145	7.7
111.08089	12.1
115.05433	2.9
117.07030	16.5
119.08598	39.8
121.06510	3.8
121.10151	13.0
123.08074	5.5
123.11707	8.3
125.09649	4.4
128.06255	5.4
129.07016	23.6
130.07875	2.4
131.08557	13.6
133.06490	3.7
133.10139	19.2
135.08090	2.7
135.11717	3.8
142.07782	3.2
143.08551	12.0
145.10123	10.9
147.08095	4.6
147.11688	39.4
149.09589	3.9
151.11205	4.2
155.08551	2.6
157.10194	10.2
159.11705	2.0
161.09673	4.5
161.13254	10.8
163.11157	4.7
169.10059	1.9
171.08069	3.0
171.11674	23.9
175.11198	7.6
179.14340	8.1
185.13239	4.9
187.13306	5.0
189.11380	3.5
189.12756	7.5
193.12227	33.9
207.13782	21.0
211.13251	23.8
214.21394	1.7
227.12720	2.7
249.14828	4.5
256.95316	2.1
263.89063	1.9
267.15915	15.2
277.18259	2.0
277.21542	4.5
281.17465	16.2
351.25342	15.0
363.23221	2.9
381.24399	2.5
399.25369	6.7
473.22382	1.8
473.28879	29.6
474.29376	2.3
491.30035	35.4
492.30161	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	491.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11618	0.5
52.00498	0.6
53.03952	0.8
55.05510	4.2
57.03447	0.8
57.07080	3.3
59.05001	1.6
65.03938	0.8
67.05507	9.6
69.03422	1.3
69.07076	3.2
71.09767	0.9
72.56188	0.6
79.05499	5.6
81.03406	0.6
81.07063	9.2
83.04971	1.8
83.08633	2.3
85.06544	3.5
91.05488	7.5
93.07053	10.9
94.52120	0.5
95.04969	2.5
95.08616	10.7
97.06527	1.9
97.10173	0.9
103.05501	0.9
105.07030	12.6
107.08597	12.4
109.06536	2.1
109.10161	8.1
110.65192	0.6
111.08131	1.1
115.05515	0.7
117.07030	3.4
119.08583	21.7
121.06522	0.9
121.10143	8.3
123.08085	4.8
123.11727	1.7
128.06181	0.7
129.07005	1.6
129.29456	0.6
130.07771	0.8
131.08572	8.0
133.06522	1.2
133.07539	0.6
133.10139	13.4
134.10652	0.5
135.07126	0.8
135.08020	3.6
135.11674	5.4
137.09608	3.2
139.07571	1.8
139.11099	0.7
141.07014	0.8
142.07805	1.9
143.08533	6.0
144.09358	1.9
145.10133	10.7
147.08084	3.7
147.11690	5.8
149.09627	2.4
149.13274	1.3
151.07559	5.8
153.09123	1.4
154.07693	0.7
155.08594	2.3
156.09367	2.3
157.10130	7.5
158.10931	1.5
159.08083	1.5
159.11694	8.0
161.09613	2.5
161.13264	2.4
163.11169	2.6
165.07011	0.8
165.09125	8.9
167.08597	2.2
168.09291	0.8
169.10133	3.5
170.10922	2.0
171.11682	6.7
172.12437	1.0
173.09631	1.2
173.11856	0.9
173.13229	5.6
175.11209	1.5
175.14798	5.8
177.09244	0.8
177.12750	1.0
179.08568	0.8
181.10112	1.8
181.12309	0.6
182.10971	1.3
183.11673	5.1
184.12492	1.1
185.09605	0.8
185.13280	3.3
187.11229	1.1
187.14841	4.2
189.12784	2.7
191.14363	1.1
192.09396	0.9
193.10109	1.6
194.10909	1.9
195.11726	3.6
195.13574	0.8
196.12431	1.3
197.13252	3.7
198.13989	0.7
199.11156	1.3
199.14859	1.4
201.12762	1.6
201.16428	0.7
203.14258	2.7
207.11691	1.7
207.13820	3.3
208.12465	1.1
209.13278	5.0
209.15384	1.7
210.13995	0.9
211.14784	3.4
213.16447	0.8
217.12297	1.0
219.11632	0.8
221.13336	1.1
221.15367	11.6
223.14836	2.5
224.15579	0.9
225.12778	1.0
225.16391	1.4
227.14371	1.8
229.12256	1.0
235.14857	1.2
237.12608	1.0
237.16449	1.4
239.18044	1.4
247.14777	1.0
247.17072	1.0
249.16696	0.8
261.18539	1.0
263.97983	0.6
265.19516	2.9
273.16144	0.7
283.20508	4.5
285.18488	0.9
286.19162	0.7
299.20132	0.7
325.21774	0.7
366.92383	0.6
384.22974	0.6
385.27518	4.1
399.28836	3.1
462.01172	0.8
469.92801	0.7
473.34537	1.4
491.35217	100.0
492.35693	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	492.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10961	0.4
57.03423	0.6
61.02912	1.2
69.03424	2.9
69.17306	2.8
71.04989	0.4
81.03421	1.7
84.61887	0.4
85.02907	5.0
89.03922	7.3
91.05494	4.3
97.02890	2.3
109.02891	0.5
109.06493	0.4
117.03387	22.1
119.04943	1.8
121.06536	2.6
127.03943	1.0
134.03622	1.5
135.04442	1.2
137.05983	6.3
145.02856	55.0
146.03198	1.4
149.06007	5.9
153.01859	0.6
163.03874	0.9
177.05476	100.0
178.05832	3.8
180.06499	0.5
219.38391	0.4
242.34717	0.5
309.29456	0.4
330.13364	26.6
330.24164	0.8
331.13599	1.4
361.11771	0.5
433.13834	0.9
492.29697	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	492.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01879	0.3
57.03421	0.7
57.86811	0.2
61.02918	1.0
61.96054	0.3
63.02374	0.6
64.02209	0.3
69.03156	0.2
69.03440	2.8
69.66174	1.1
71.58723	0.2
72.08141	0.3
73.02908	0.4
78.04733	0.3
78.59334	0.2
79.05500	0.3
81.03421	0.6
81.07062	0.4
81.38641	0.2
85.02912	4.6
87.04433	0.4
89.03920	6.8
89.04482	0.3
90.04238	0.3
91.04971	0.4
91.05492	4.6
95.05002	0.3
97.02883	1.7
99.04449	0.5
106.04237	0.3
107.04960	0.6
109.02899	0.6
109.06500	0.2
117.03383	19.4
118.03702	0.6
119.04930	2.7
121.06495	0.8
127.03918	1.1
134.03636	1.0
135.04428	4.5
136.03943	0.3
136.04958	0.2
136.07568	0.6
137.05984	5.0
145.02849	53.8
146.03218	1.5
147.04451	2.3
149.05984	5.6
151.07533	2.8
154.05075	0.2
163.03912	27.1
163.11145	0.3
164.04234	0.8
168.10179	1.4
174.83249	0.3
177.05473	100.0
178.05855	3.4
180.06578	0.6
186.05556	0.5
197.91347	0.2
201.05501	0.7
258.07034	0.5
260.35205	0.2
330.13354	25.7
331.04437	0.5
331.13739	1.8
413.76230	0.3
491.29901	2.4
492.20367	1.0
492.30246	12.0
493.30161	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	492.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56970	0.9
60.87899	0.8
66.53035	0.9
68.02696	0.8
69.03447	1.6
70.06591	5.0
70.74944	1.2
70.75288	1.4
72.08153	4.2
74.06088	0.9
81.03416	1.5
84.04510	1.8
84.08143	2.3
85.02909	4.1
86.09711	9.7
89.03926	4.9
91.05470	7.5
93.07061	1.2
97.02902	1.7
106.04189	0.9
117.03384	19.1
119.04957	4.3
120.08108	14.3
120.08913	1.2
127.03840	1.2
129.10297	1.1
130.06578	1.1
132.08104	1.4
134.03621	1.5
135.04407	3.2
136.07576	1.6
137.06003	6.2
144.06596	0.8
145.02853	53.4
146.03168	2.0
147.04384	0.8
149.05983	6.2
150.51088	0.7
150.65285	0.8
150.66454	0.9
151.07553	1.5
160.07541	5.4
161.09227	1.4
163.03905	16.5
168.10295	1.0
177.05476	100.0
178.05826	2.8
185.13274	0.9
186.05418	0.9
219.11407	1.2
287.05524	1.5
288.05969	3.9
330.13354	33.4
331.13809	1.3
381.56033	1.0
492.31082	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	492.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48554	0.2
56.73970	0.2
63.02399	0.2
69.03427	0.5
69.54749	1.0
71.04993	0.3
72.08130	0.2
81.03415	0.3
85.02916	1.1
85.06557	0.7
87.00839	0.3
89.03923	4.2
91.05488	4.4
97.02889	0.3
98.23388	0.4
103.05445	0.3
109.02891	0.5
117.03386	15.4
118.03709	0.3
119.04948	2.2
119.08607	0.2
120.08131	0.3
121.06488	0.4
121.17119	0.2
127.03957	0.4
131.08583	0.5
134.03648	0.5
134.80545	0.2
135.04413	0.7
137.05986	5.4
137.07053	0.3
137.09592	0.2
145.02859	46.2
146.03151	1.0
149.05998	4.9
149.09631	0.4
153.35030	0.2
163.03896	0.6
167.10696	0.4
177.05481	100.0
178.05832	3.1
186.05481	0.5
191.10672	0.7
194.17528	0.2
209.11736	0.7
227.12802	2.0
232.22511	0.2
295.49896	0.2
330.13373	23.0
331.08163	0.5
331.13745	1.4
492.18381	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	492.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.9
51.57523	1.3
53.03952	4.4
54.39914	1.3
61.14411	1.1
67.05547	1.5
67.26766	1.1
71.30760	1.5
77.03951	1.6
79.05509	3.1
81.03453	1.3
83.38816	1.3
91.05481	22.1
93.07050	21.8
94.04202	2.6
95.04977	5.5
103.05480	19.0
105.04556	2.6
105.07041	2.4
107.04973	1.9
107.84608	1.2
109.06561	1.3
115.05457	5.1
119.04955	3.7
121.06516	81.4
122.03679	5.4
122.06854	2.8
123.04476	1.8
130.04099	2.6
131.04970	1.7
133.06502	1.8
134.38666	1.3
137.05989	70.5
138.06343	2.0
143.04939	3.7
145.02896	1.5
145.06532	2.1
146.03671	1.6
147.04416	4.7
149.05989	2.9
150.06732	1.4
151.03920	4.9
158.03545	2.8
160.05196	1.7
161.05956	7.1
161.66156	1.3
162.06770	5.7
165.07008	1.5
165.09114	3.2
166.09465	2.5
173.06021	7.3
175.03955	2.2
175.07585	3.9
177.05693	2.6
177.07045	2.4
178.07785	2.2
185.06004	1.8
186.03180	5.4
189.05507	2.8
189.07045	4.6
190.07744	1.4
194.07294	1.8
195.08083	1.6
201.05473	49.5
202.05850	1.7
203.08655	1.5
205.06503	9.4
206.07285	6.4
213.05469	6.8
217.06502	6.4
218.07162	2.7
219.06320	1.7
219.08136	3.1
220.05276	1.9
221.05956	2.0
221.09660	2.4
222.06680	6.5
223.07472	2.2
231.06447	3.1
233.05995	10.4
234.06770	20.9
235.07483	6.5
237.09010	9.0
245.06032	5.9
247.07556	4.5
248.08447	2.1
249.05397	1.6
249.06851	1.6
249.09062	9.6
250.06180	8.4
251.07100	4.7
261.05487	4.1
262.06262	15.3
263.07062	4.1
264.07834	5.2
265.08554	17.4
266.09268	4.7
267.06693	2.0
273.05347	7.4
274.06024	1.7
275.07031	1.7
276.07880	2.1
277.05585	2.0
277.08603	22.4
278.05853	3.1
278.09152	1.8
279.06561	4.5
279.10165	3.9
287.07001	3.0
289.05151	2.3
290.05734	21.2
292.07333	12.8
293.08063	19.5
294.08737	5.4
295.09601	3.4
297.11151	3.5
305.08105	39.4
306.08563	4.0
307.06091	3.1
307.09619	29.2
308.09924	2.1
309.11301	2.6
310.08447	3.7
319.09634	4.4
322.08408	4.4
325.10712	100.0
326.11163	5.3
326.83398	1.4
337.10748	60.7
338.11127	2.2
339.09888	1.9
355.11887	5.0
398.67429	1.5
462.19128	43.1
463.19315	4.7
492.20157	16.4
493.20322	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	492.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.0
53.03942	3.2
55.01873	1.2
65.03951	1.1
69.03447	1.2
79.05499	1.9
80.98219	1.0
81.03465	1.2
84.35491	1.0
85.02915	1.1
91.05487	17.3
93.07046	18.1
94.04189	3.4
95.04978	6.0
95.64484	1.0
97.02911	1.0
98.23370	2.0
101.29093	0.9
102.04666	1.6
103.05476	16.2
105.04507	1.9
105.05199	0.9
105.07043	2.2
107.04997	1.1
109.06544	1.3
115.05457	4.1
117.03455	1.3
117.07069	1.7
119.04948	3.6
120.05738	1.4
121.06514	62.4
122.03632	4.2
124.94646	0.9
127.23542	1.0
130.04176	2.0
131.04893	1.6
133.06474	1.5
137.05984	56.7
138.09129	2.3
140.08705	1.0
143.04921	3.2
144.05675	1.1
145.02818	2.2
145.06474	3.6
146.03647	2.0
147.04449	5.0
149.06021	1.5
151.03896	3.2
158.03642	2.3
161.06009	4.7
162.06740	4.3
164.07074	2.2
167.07111	1.5
173.05942	7.4
175.03914	3.4
175.07533	2.0
177.05457	2.7
177.06937	2.1
178.07881	1.4
185.06108	1.3
186.03159	5.0
187.07571	1.2
189.05469	2.0
189.06882	1.9
190.07748	1.5
194.07263	2.0
201.05479	54.1
202.05832	2.1
205.06522	10.6
206.07297	6.4
207.08192	1.7
213.05504	3.7
217.06537	4.1
218.07208	3.0
219.06310	1.5
219.08156	1.8
220.05267	1.3
221.05994	2.5
221.09712	1.2
222.06769	3.5
223.07440	1.7
233.06004	11.9
234.06726	18.0
235.07556	4.5
236.08463	1.2
237.09067	6.5
239.06898	1.2
245.06012	4.1
246.06758	1.3
247.07513	5.1
248.08264	1.6
249.05565	1.8
249.09126	8.7
250.06276	7.8
251.06946	5.4
261.05499	4.4
262.06290	14.2
263.07034	3.6
264.07782	3.3
265.08627	17.3
266.09451	3.3
267.06561	1.8
273.05505	3.4
274.06165	2.2
275.06955	2.0
277.05365	2.2
277.08557	18.1
278.05743	4.6
278.08884	1.2
279.06482	3.6
279.10178	2.8
282.08841	1.9
287.05539	2.3
288.06226	1.6
290.05722	16.4
291.06494	1.3
292.07330	11.6
293.08121	18.6
294.08691	3.2
295.09680	4.5
297.11331	2.6
304.07208	1.4
305.08115	30.4
306.08615	2.5
307.06079	3.2
307.09595	28.7
309.07547	1.2
309.11182	3.3
310.08279	2.8
315.05060	5.5
316.05756	24.3
319.09558	2.6
322.08279	3.6
325.10712	100.0
326.10995	4.2
331.08118	35.0
337.10709	57.8
338.10736	2.0
338.14172	1.6
354.45190	1.1
355.11798	2.9
419.72885	1.5
462.19122	39.5
463.19531	2.5
492.20380	15.9
493.13419	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00269	1.2
53.03950	6.7
55.01869	1.5
69.09774	9.2
83.44999	1.2
91.05487	21.2
93.07057	22.3
94.04218	1.7
95.04977	5.1
103.05477	19.6
104.80139	1.4
105.04519	2.2
105.07037	2.1
110.84805	1.3
115.05450	3.8
119.04969	4.4
120.92007	1.2
121.06513	77.3
122.03655	5.4
122.06856	2.2
123.04404	1.8
133.06477	2.0
137.05978	79.3
143.04939	4.5
145.06424	1.8
147.04454	4.6
149.06024	1.8
151.03925	3.0
158.03656	2.1
161.05957	9.6
162.06766	5.7
170.03558	1.8
173.05969	6.7
175.03888	2.9
175.07597	3.6
177.05434	3.9
177.06940	2.3
178.07767	1.9
185.06081	1.6
186.03215	6.1
188.04631	1.4
189.05499	1.6
189.07045	4.2
194.07362	1.6
195.08014	1.2
201.05479	53.2
202.05972	1.7
202.07854	1.7
203.06975	1.7
205.06506	11.6
206.07294	8.4
207.07976	1.9
213.05435	6.1
217.06493	5.3
218.07341	2.0
219.08099	2.8
221.05931	3.0
222.06718	4.8
223.07503	1.4
227.06955	1.7
231.06378	2.1
233.05975	12.3
234.06752	19.6
235.07430	6.0
236.07980	1.6
237.09099	7.9
245.05978	7.0
246.06590	1.7
247.07613	4.8
248.08339	3.6
249.05528	2.7
249.09113	9.6
250.06279	7.6
251.06932	6.3
253.34845	1.5
259.07739	2.1
261.05383	4.9
262.06281	21.7
263.07025	5.3
264.07782	4.2
265.08585	22.1
266.09348	3.1
273.05292	6.6
274.06180	1.9
275.07126	2.9
276.07751	1.5
277.05487	2.1
277.08594	20.8
278.05734	4.4
278.08688	2.2
279.06735	2.6
279.09964	2.7
282.08817	1.7
287.07025	2.9
289.05222	1.9
290.05731	25.1
291.06180	2.4
292.07321	11.4
293.08066	19.4
294.08823	5.2
295.09381	3.0
297.11240	3.5
304.07355	3.0
305.08087	41.5
306.08405	3.3
307.06152	3.2
307.09595	26.2
308.09756	1.7
309.11057	2.9
310.08545	3.2
319.09671	4.6
322.08438	5.3
325.10709	100.0
326.11118	4.3
337.10721	68.8
338.10876	2.8
355.11710	5.2
462.19104	49.7
463.19528	2.2
492.20236	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	492.202
Annotation	Grossamide K
Peak:m/z	Relative Intensity
50.24391	0.3
51.02368	0.5
53.03947	0.8
56.13282	0.4
62.76752	0.3
63.64725	0.3
65.03938	0.5
65.68267	0.4
66.04713	0.6
66.96418	0.4
69.24632	2.9
79.05509	0.7
81.03423	3.8
81.07053	0.3
85.02880	0.4
91.05481	5.3
93.07046	4.9
94.04183	2.6
95.04968	1.3
103.05466	6.0
104.05799	0.4
105.04522	0.6
105.07102	0.4
107.04956	1.1
109.06504	1.2
115.05453	6.2
115.76382	0.3
115.83811	0.4
117.07025	2.9
119.04948	0.6
121.02814	0.3
121.06508	29.4
122.03651	4.6
122.06851	0.8
125.05982	0.6
131.04924	4.0
135.04408	0.5
137.05977	100.0
138.06342	2.9
138.09142	0.6
143.04916	5.2
144.05708	2.1
145.06503	3.1
146.03641	2.5
146.06013	1.0
147.04477	0.5
149.05969	1.5
151.03918	1.8
153.01833	0.7
153.05478	0.9
155.06090	0.4
160.05196	7.6
161.05989	6.8
162.06784	1.0
163.03973	0.4
163.07529	3.4
164.07088	3.6
167.07072	0.5
170.44727	0.4
171.04405	1.5
172.05202	1.2
173.05974	1.0
175.07547	28.6
176.07896	1.1
177.05501	0.5
177.09143	2.2
178.07800	0.4
187.07536	9.0
188.07869	0.5
189.06958	0.5
190.07788	0.5
191.07007	0.5
191.08601	0.8
201.05434	4.4
203.06979	2.9
205.06651	0.6
205.08600	6.2
206.07321	0.7
219.07997	2.4
221.05902	0.5
231.06499	0.4
233.09592	0.4
234.06743	1.2
235.07492	0.6
237.09108	1.1
247.07585	1.1
249.09238	0.6
250.06171	0.6
251.10773	1.2
253.08449	0.7
259.09677	3.3
261.09042	0.6
262.06201	0.7
263.06934	0.7
264.07816	0.8
265.08542	1.3
267.10175	0.6
268.07126	0.7
270.08807	0.7
274.91080	0.3
277.08661	1.3
279.10156	3.5
282.61469	0.4
283.09735	1.5
284.10345	1.9
290.05765	0.6
292.07288	0.4
293.08127	0.8
296.10406	0.8
297.11215	0.7
299.12848	1.1
305.08118	1.1
307.09714	1.0
309.11215	1.0
311.12711	7.7
312.13043	0.8
319.04343	0.4
325.10678	3.9
331.08093	1.4
337.10596	2.6
338.14322	0.6
340.15427	3.1
346.10202	0.6
355.11752	1.2
368.14911	1.1
403.14734	0.4
430.42599	0.3
462.19165	1.5
474.18979	1.0
492.20499	4.5
493.20889	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	492.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
63.07191	0.2
65.03928	0.3
67.05500	0.3
69.57205	1.1
77.03886	0.3
79.05470	0.3
80.85761	0.3
81.07031	0.3
88.83933	0.2
91.05486	3.6
93.07050	2.6
94.04119	0.3
95.04930	0.9
103.05473	2.1
105.03341	0.4
105.04472	0.5
105.07012	0.3
107.04936	0.5
109.02850	0.4
109.63860	0.2
115.05430	0.8
117.03419	0.3
117.06985	0.4
119.04961	1.8
119.05718	0.3
119.08666	0.3
121.06516	10.6
122.03594	0.6
122.06812	0.3
123.04411	0.3
124.05234	1.3
130.04140	0.3
131.04930	0.3
133.06487	0.3
134.03609	0.5
135.04439	0.4
137.02292	0.3
137.05981	7.3
143.04932	0.5
145.02852	0.5
145.06461	0.8
147.04445	1.9
149.05890	0.7
150.06726	0.3
151.03943	1.2
151.07516	0.5
153.01788	1.6
155.04913	0.3
158.03702	1.1
160.05182	0.3
161.05910	1.0
162.03026	0.3
162.06718	0.6
163.03873	0.4
164.04604	0.3
164.07079	0.3
165.09134	1.3
166.09477	0.3
173.05997	2.4
175.03903	1.5
175.07507	0.7
177.05435	1.6
179.07004	0.8
181.23415	0.3
186.03146	1.3
187.07524	0.4
189.05466	1.1
189.06984	0.4
191.07008	0.3
201.05470	21.1
202.05736	0.7
203.07027	0.2
205.06514	0.8
205.08362	0.2
206.07210	0.3
207.08078	0.3
210.06595	0.2
213.05478	0.8
217.04889	1.5
218.07271	0.3
219.08092	0.3
222.06792	0.4
223.07562	0.3
228.04240	0.5
229.04924	0.7
230.05629	0.5
231.06490	0.7
233.05928	0.9
234.06738	1.7
235.07458	0.5
237.09129	0.6
242.05852	0.4
243.06660	0.3
245.04396	4.9
247.07616	0.4
249.09155	0.5
250.06285	0.8
251.06967	0.6
257.04480	0.8
258.05270	0.3
262.06256	1.3
263.06836	0.3
264.07880	0.4
265.08646	1.4
266.09149	0.3
269.04483	0.7
270.05228	0.4
271.06082	0.3
273.03870	5.3
275.07111	0.3
277.08582	1.3
278.05768	0.4
279.06573	0.4
279.09918	0.3
282.09146	0.3
285.03961	0.8
287.05466	2.4
288.06229	2.6
290.05844	1.1
292.07349	0.9
293.08066	1.0
299.05453	0.8
300.02646	0.7
301.03436	11.1
301.06854	0.6
302.04123	0.5
305.08096	2.7
306.08734	0.3
307.06250	0.4
307.09647	1.5
309.11450	0.3
311.13083	0.3
315.04984	14.9
316.05774	55.7
318.03033	0.3
322.08542	0.3
325.10684	3.9
326.10986	0.4
331.08115	100.0
337.10693	2.8
338.14236	0.4
355.05072	0.3
355.11807	7.4
462.19073	0.9
473.11505	0.3
492.20245	5.3
493.20468	0.3
497.49329	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	492.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10129	1.3
69.57713	4.2
71.04990	1.9
78.60056	1.1
86.06094	1.8
86.09650	1.1
91.05490	22.9
95.04974	11.4
96.08662	1.2
113.06043	4.6
119.04952	30.5
121.06507	2.7
123.04439	44.0
131.07054	3.0
136.07590	100.0
137.07932	3.0
147.04404	15.0
149.08128	4.0
165.05493	59.3
166.05855	1.5
182.08151	89.0
183.08524	2.6
256.48819	1.2
490.76831	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	492.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
57.03421	1.1
57.07080	2.0
58.99586	2.0
61.02948	1.1
63.43737	1.1
67.05508	2.5
68.40411	1.0
69.03434	45.0
69.07080	3.9
69.69228	4.4
70.06574	1.3
76.02227	4.1
76.52872	1.1
78.48649	1.0
79.05482	3.0
81.03417	1.9
81.07060	4.2
83.05000	3.6
85.02910	10.5
85.06544	3.1
86.99066	1.5
91.05480	2.7
93.07051	4.1
95.08604	7.6
96.62624	1.1
97.02876	2.5
97.06557	2.1
99.04421	1.1
105.00064	1.6
105.07042	3.9
107.08587	12.3
109.06528	4.4
109.10166	3.3
111.08074	3.3
119.08598	3.4
120.38570	1.0
121.06523	2.4
121.10158	14.4
122.02734	27.4
122.03570	2.0
123.08067	1.9
123.11707	7.4
124.88964	1.0
125.09634	18.0
127.03924	2.3
131.08571	5.0
133.10146	3.5
135.08047	11.5
135.11679	5.2
145.10106	2.8
147.11726	4.0
149.09625	9.1
149.13260	3.4
151.11261	2.6
153.09126	8.3
158.10912	3.3
163.11218	2.8
163.14810	6.0
165.12773	3.7
167.10701	2.4
173.13268	20.1
176.11981	1.7
191.01688	1.3
191.14316	79.5
192.14647	2.3
209.15382	100.0
210.15718	2.9
223.11464	5.2
234.72548	1.0
241.12602	7.4
262.27225	1.0
287.05518	11.1
288.05875	20.9
289.05957	1.3
315.04947	1.8
330.17368	9.3
331.08203	8.0
381.06418	1.4
493.09528	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	492.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01928	2.5
55.05519	13.6
57.03449	5.6
62.06098	9.0
67.05513	33.7
67.55131	2.8
69.07069	10.2
69.86154	9.1
71.08336	2.6
71.08643	23.7
72.08958	2.4
74.61875	2.7
77.30487	2.7
79.05502	24.5
81.03433	5.0
81.07068	36.5
83.04985	6.0
83.08620	4.7
87.49225	2.6
91.05493	20.1
91.78353	2.7
93.07048	38.1
95.04978	7.8
95.08611	30.9
97.06539	3.7
98.98465	12.1
99.08115	20.1
105.07047	12.7
107.04961	6.1
107.08620	19.4
109.06534	4.5
109.10170	9.1
117.07047	3.8
119.08592	15.6
121.10157	18.5
125.09641	3.6
131.08543	5.9
133.10155	10.7
135.08044	2.9
135.11676	15.1
137.09648	8.5
138.14839	2.4
142.02693	3.5
145.10118	4.3
147.11761	6.4
149.13268	6.8
151.11172	12.3
155.01062	5.2
159.11751	3.8
161.13252	12.3
163.11234	7.6
171.11687	3.9
179.14334	49.6
235.66432	3.4
241.19643	2.8
249.17853	2.7
249.22099	3.3
259.20724	4.4
277.21637	49.9
278.22018	4.1
320.25790	8.6
333.14655	6.7
351.25327	100.0
352.25684	3.3
431.21902	37.0
449.22626	2.7
474.26218	5.7
475.18942	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	492.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18568	0.7
50.65952	0.6
53.03942	2.2
55.01859	1.5
55.05512	11.6
55.37958	0.6
56.05851	1.2
57.03442	6.0
57.07079	1.7
57.18242	0.6
59.49842	0.7
62.06068	0.6
65.03938	2.0
66.37986	0.7
67.05508	26.1
68.05864	0.8
69.03441	0.8
69.07066	9.0
70.08861	1.2
70.09251	1.5
71.04969	1.5
71.08633	27.5
77.28156	0.6
77.81423	0.7
79.05495	25.4
80.05823	1.0
80.09809	0.7
81.03416	5.5
81.07060	28.1
82.06582	0.7
82.07398	1.6
83.04977	6.0
83.08630	5.3
85.06546	2.4
91.05486	19.1
92.05818	0.8
93.07047	30.9
94.07401	0.8
95.04969	6.7
95.08609	20.5
96.15656	0.7
97.06535	6.5
97.10159	2.2
98.98464	2.1
99.08101	15.9
105.07036	12.4
107.04947	4.6
107.08604	14.8
109.06509	1.7
109.10150	7.2
110.10470	0.9
111.08072	1.1
113.09665	1.3
117.07013	3.0
119.08585	10.9
121.06491	1.3
121.10149	12.7
123.08107	0.9
123.11715	1.6
125.09592	1.2
127.11176	1.0
129.06999	2.7
131.08604	1.8
133.06552	0.9
133.10117	8.9
135.08032	1.2
135.11694	15.3
136.11961	1.0
137.09624	2.7
137.13177	0.8
139.11205	1.1
141.09126	2.4
143.08551	1.2
145.10132	2.6
147.11679	5.1
149.09639	1.1
149.13272	4.4
151.11194	9.8
159.11714	3.1
161.13257	6.8
163.11182	3.8
163.14854	0.9
165.12849	1.0
167.10715	1.7
171.11687	2.3
173.13206	1.5
175.11263	0.7
175.14929	1.0
177.12747	1.8
179.14317	46.2
180.14636	1.4
185.13252	1.8
189.12796	1.6
193.12120	0.8
195.13846	0.9
198.05252	0.9
199.14842	1.0
216.06291	2.1
219.57111	0.7
221.15375	1.5
222.18559	1.2
235.16856	2.0
241.19366	1.1
243.84668	0.7
259.20599	3.4
277.21640	32.4
278.21960	1.7
320.25864	7.4
321.26578	0.9
333.24417	1.2
351.25299	100.0
352.25659	6.4
431.22061	1.9
474.29623	1.1
491.93973	0.7
492.30331	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	493.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29959	1.1
55.01871	8.5
55.05501	2.6
57.03434	2.4
61.02954	1.6
67.05502	2.8
68.99798	1.9
69.02107	13.0
69.03437	15.6
69.07066	1.6
70.06602	1.8
71.92447	1.5
72.08140	1.8
73.02933	1.9
79.05501	2.3
81.03415	4.0
81.07066	2.6
83.08605	2.1
85.02911	10.2
86.09704	8.4
91.05500	3.5
93.07063	1.7
95.04986	1.5
95.08617	2.3
97.02892	15.8
105.07017	3.4
106.02892	1.7
107.08620	2.6
109.02874	2.1
109.06552	1.7
109.10166	2.3
111.00818	3.0
111.08093	2.0
115.03927	21.6
120.08113	5.6
121.02849	1.6
121.06554	2.7
125.02350	1.5
127.03950	2.5
133.10167	1.9
137.02330	3.4
137.09645	1.8
153.01819	16.6
161.09657	1.6
163.03947	1.7
165.01884	5.2
167.03452	3.8
175.06029	5.8
178.74458	1.3
179.03365	2.8
183.02879	3.0
184.07509	1.7
189.05482	1.5
191.03459	1.8
195.02908	2.7
217.04929	4.8
245.04514	5.6
273.03967	5.4
285.11115	2.0
303.04956	16.6
313.10818	3.8
317.06494	4.5
319.04489	100.0
320.04807	6.5
331.04483	2.7
331.08136	2.4
397.05719	1.8
492.30029	4.8
493.20490	10.8
493.31125	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	493.0983
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
51.47412	1.4
53.93430	1.3
55.01885	2.5
57.03429	1.8
68.99791	3.7
69.03439	21.8
71.27853	1.7
71.28223	1.4
81.03433	2.7
81.07116	1.8
82.57958	1.4
85.02908	9.1
91.05491	2.6
93.07075	2.8
97.02895	22.5
105.07029	2.2
109.02895	6.0
111.00805	3.1
115.03946	13.2
120.08111	2.4
121.06543	3.1
133.10109	4.2
137.06015	5.0
137.22179	1.3
143.01483	1.6
153.01849	20.5
153.02974	2.5
158.53027	1.4
165.01817	3.7
175.06076	5.2
179.03377	1.5
183.04375	1.8
189.09059	1.8
201.05367	1.4
208.43420	1.7
217.04977	5.0
245.04546	5.6
273.03976	3.1
301.03674	2.4
302.32907	1.5
313.03510	2.2
315.04962	2.4
319.04501	100.0
320.04822	5.1
324.33768	1.6
329.03061	3.8
331.04483	6.7
331.08264	4.1
352.90381	1.7
397.05585	3.2
415.06595	1.7
451.08633	2.2
493.23865	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	493.1341
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
58.52987	0.2
62.07624	0.2
62.32666	0.2
77.88467	0.2
80.68220	0.2
80.93973	0.2
110.78767	0.2
111.14268	0.2
125.09346	0.3
127.58777	0.2
137.02367	0.5
153.01923	0.2
158.07265	0.9
168.05650	0.6
185.06036	0.6
186.06714	2.4
196.05190	0.8
197.06010	0.4
203.03386	0.8
213.05566	1.1
214.06299	2.1
224.04710	0.7
225.05470	0.5
241.05046	0.3
242.05719	3.6
249.63019	0.2
252.04237	0.6
253.04962	0.9
258.26178	0.2
269.04489	0.9
270.05231	23.5
271.05615	1.3
273.03973	0.6
281.04398	0.6
285.03955	0.7
286.04709	0.8
287.05450	2.8
297.03983	4.3
298.04718	9.6
299.05435	2.8
300.05743	0.3
302.04224	1.9
315.05002	9.6
316.05768	8.7
317.06027	0.6
331.08115	100.0
332.08466	5.7
353.21964	0.2
398.43045	0.3
493.13342	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	493.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04841	0.1
51.09887	0.1
58.01183	0.1
69.03423	0.1
69.06187	0.1
69.42219	0.1
70.96674	0.1
70.96992	0.1
71.04960	0.1
81.03397	0.2
81.07020	0.1
85.02882	0.1
93.07036	0.1
121.02839	0.1
121.06537	0.4
122.06837	0.2
123.04386	0.1
127.03926	0.2
135.04457	0.1
137.02341	0.8
147.04346	0.1
150.03113	0.2
151.03880	0.2
153.01811	0.7
157.06477	0.2
158.07278	1.0
163.03818	0.1
164.06984	0.2
167.56865	0.1
168.05698	0.5
169.06407	0.1
171.04359	0.2
175.03885	0.2
177.05476	0.1
178.02647	0.2
179.03368	0.6
185.06055	0.7
186.06775	3.1
187.07216	0.1
193.01289	0.1
196.05241	1.0
197.05968	0.7
199.03873	0.2
203.03386	0.9
213.05484	2.0
214.06239	2.2
215.06726	0.2
224.04710	0.9
225.05481	0.9
229.05051	0.1
232.87755	0.1
241.04930	0.7
242.05733	4.0
243.06157	0.2
252.04138	0.7
253.04990	1.0
258.05212	0.3
259.05984	0.2
269.04480	0.9
270.05228	27.2
271.05585	1.3
273.03931	0.4
280.03616	0.3
281.04440	0.7
285.03952	0.9
286.04700	0.9
287.05511	3.0
288.06052	0.3
297.03931	4.4
298.04715	11.4
299.05414	3.5
300.05832	0.2
301.03494	0.3
302.04187	1.8
303.04593	0.1
315.04990	10.0
316.05740	9.1
317.06073	0.6
331.08105	100.0
332.08475	6.3
493.13394	4.0
493.21008	0.1
494.13925	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	493.1341
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.24661	0.2
58.65966	0.2
61.02915	0.3
63.10180	0.3
65.63736	0.2
68.86018	0.2
69.03399	0.3
69.26426	0.5
69.26842	1.1
94.70007	0.2
137.02332	0.8
151.95517	0.2
153.01820	0.4
158.07262	1.0
168.05669	0.7
169.06560	0.2
171.04355	0.3
185.05946	0.7
186.06758	3.3
196.05199	1.3
197.05977	0.5
203.03403	1.5
204.10114	0.3
213.05484	2.3
214.06294	2.3
224.04747	1.1
225.05386	0.7
241.04993	0.4
242.05727	4.1
243.06287	0.3
247.51892	0.2
252.04320	0.6
253.05083	1.3
258.05441	0.3
269.04532	0.8
270.05234	33.8
271.05652	2.5
273.03903	0.7
281.04453	0.9
285.03989	0.8
286.04681	1.3
287.05466	4.3
288.05948	0.7
297.03937	5.6
298.04712	13.7
299.05457	3.8
301.03333	0.5
302.04169	2.4
315.05002	13.4
316.05753	11.9
317.06039	0.5
331.08118	100.0
332.08475	6.9
493.13422	37.5
494.13715	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	493.1343
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
66.01070	0.1
68.99773	0.2
71.41488	0.1
85.02884	0.1
88.92719	0.1
91.05458	0.2
93.07030	0.1
94.07354	0.1
102.27442	0.1
103.05444	0.1
107.04955	0.2
109.02855	0.2
111.00794	0.1
121.06465	0.4
122.06807	0.1
124.05217	0.6
134.03600	0.3
135.04398	0.2
136.01590	0.1
137.02322	0.3
137.05957	0.3
139.03862	0.1
151.03915	1.0
151.07501	0.1
153.01831	1.2
157.24153	0.1
162.03099	0.2
164.04726	0.1
165.01854	0.1
168.05537	0.1
189.05457	0.4
194.02106	0.3
201.05458	0.5
202.05768	0.3
213.05447	0.2
215.03416	0.1
217.04962	2.0
218.05652	0.2
225.05275	0.1
227.03442	0.1
228.04143	0.7
229.04959	0.6
230.05652	0.4
231.02888	0.2
241.04829	0.2
242.05736	0.4
243.06537	0.3
245.04453	4.8
246.04845	0.2
256.03613	0.3
257.04422	0.8
258.05222	0.4
259.06006	0.3
269.04407	0.5
270.05203	0.6
271.05902	0.5
273.03946	6.3
274.04291	0.3
284.03207	0.1
285.03864	0.9
286.04684	0.3
287.05496	2.7
288.06262	2.4
289.06674	0.2
297.03912	0.3
298.04651	0.3
299.05545	0.9
300.02634	1.0
300.05801	0.1
301.03421	11.9
302.03986	1.0
315.04990	14.2
316.05765	57.0
317.06131	3.3
326.11053	0.1
331.08105	100.0
332.08453	6.8
356.11975	0.1
493.13437	0.4
493.20642	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	493.1342
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
53.03952	0.6
55.01889	0.3
57.03440	1.4
61.02934	1.5
69.03432	5.5
71.01365	0.4
71.04995	0.3
71.34454	0.2
73.02929	0.9
80.85819	0.3
81.03441	1.4
85.02909	11.8
87.04479	0.6
91.03980	0.3
91.05508	0.6
93.07031	0.3
97.02892	3.2
99.04470	0.6
101.02402	0.3
103.03951	0.4
107.51883	0.2
109.02892	1.3
115.03919	0.4
119.04958	0.3
121.06514	1.1
122.06862	0.7
123.04469	0.2
127.03924	1.9
134.30748	0.2
137.05974	1.8
138.06343	0.7
145.04993	0.8
151.03984	0.6
153.01799	1.2
165.01765	0.3
173.06064	0.4
175.07487	0.3
176.07953	0.3
177.05478	0.7
185.91000	0.2
189.05518	0.5
201.05476	1.7
202.05853	0.9
208.62924	0.2
217.04965	2.9
219.06593	0.2
229.05043	0.4
241.04886	0.3
243.06358	0.2
245.04449	7.7
257.04529	0.3
269.04337	0.4
271.06030	0.7
273.03925	10.1
274.04248	0.6
279.02338	0.2
285.03683	0.3
286.04770	0.6
287.05490	0.8
288.06250	0.9
290.89490	0.2
298.04825	0.4
299.05502	0.9
301.03430	30.3
302.03741	1.6
313.07068	0.4
315.04999	5.2
316.05771	41.3
317.06088	3.0
329.06567	1.6
330.07187	0.3
331.08112	100.0
332.08459	6.1
338.14032	0.4
339.14218	0.3
340.05838	0.6
355.08105	0.4
356.11942	0.5
373.09216	2.9
475.12564	0.4
475.19330	0.4
493.13254	2.8
493.20502	1.0
494.13354	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	493.1343
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
52.59580	0.3
56.50738	0.3
57.03410	0.7
58.73117	0.3
61.02892	0.4
67.05476	0.3
69.03390	1.3
69.89469	0.6
79.05490	0.4
80.85744	0.4
81.03381	0.5
81.07034	0.4
85.02917	2.6
86.21030	0.3
91.05441	0.9
95.01311	0.4
95.04944	0.4
95.08566	0.3
97.02858	0.9
109.02836	0.4
110.03648	0.7
111.05321	0.3
112.12632	0.3
115.03864	0.4
121.06508	1.4
122.06757	0.4
122.47031	0.3
125.61502	0.3
127.03876	0.5
137.02371	2.3
137.05913	1.2
138.06352	0.5
145.04878	0.4
151.03891	0.5
167.03366	1.0
201.05402	0.8
202.05942	0.3
207.02869	0.6
214.06184	0.9
227.12770	0.4
229.04922	0.3
231.06517	0.4
234.06487	0.4
242.05672	2.0
243.06448	0.9
245.04449	1.2
246.04695	0.3
248.70450	0.3
257.04541	0.4
259.06027	1.3
270.05338	0.4
271.06046	1.8
273.03934	7.6
286.04691	0.7
287.05551	5.4
288.06277	4.4
291.05951	0.4
299.05524	1.0
308.09967	0.4
315.05005	13.0
316.05780	59.6
317.06186	3.3
325.10861	0.7
326.10989	1.2
329.06866	0.3
330.07120	0.5
331.08127	100.0
332.08472	6.5
337.10709	0.4
338.10934	0.5
352.60312	0.3
373.09152	1.0
463.19351	0.7
493.13443	29.0
494.13733	2.6
511.88483	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	493.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.04961	0.3
55.28347	0.3
69.54995	0.9
77.03928	0.4
77.45033	0.3
79.05495	3.8
91.05479	0.3
95.04976	0.9
96.47551	0.3
98.23326	0.5
103.05475	2.5
105.07034	100.0
106.06628	0.5
106.07365	2.4
118.06566	2.1
121.06510	1.0
122.09670	43.2
123.10001	1.1
132.04457	10.6
133.04790	0.3
146.09450	0.3
149.18318	0.3
161.35599	0.3
164.07082	0.6
174.05521	3.8
181.04999	0.5
181.54213	0.3
186.50536	0.3
191.16524	0.3
192.06558	26.7
193.06895	0.9
210.07602	1.6
351.41647	0.3
354.78619	0.3
366.61307	0.3
465.58322	0.3
470.52188	0.3
493.05746	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	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01877	4.9
55.05513	15.3
57.07057	3.0
63.66462	1.7
65.03956	4.1
67.05506	43.9
68.99790	45.6
69.03423	5.5
69.07066	22.8
71.01348	8.8
71.04981	6.4
79.05494	42.0
81.03416	27.2
81.07059	48.8
82.07396	2.4
83.04992	7.2
83.08624	11.7
85.02902	4.0
85.06552	3.6
91.04964	3.7
91.05486	32.0
91.06013	3.6
93.07045	35.5
95.01336	10.2
95.04976	44.6
95.08608	52.9
97.02895	7.0
97.06546	9.7
97.10172	6.6
98.22652	5.8
105.07044	16.7
106.06600	4.1
107.04951	11.0
107.08594	19.3
109.02901	2.5
109.06519	4.2
109.10170	13.7
109.27940	1.7
110.91273	1.9
111.00804	100.0
111.04434	7.4
111.08093	3.5
113.02407	2.9
117.07008	11.7
119.04967	2.8
119.08595	13.4
121.02878	6.9
121.06505	27.5
121.10120	14.4
123.04452	6.6
123.08043	2.4
123.11710	5.5
125.06007	2.2
127.03922	55.8
129.07016	4.6
131.08563	9.9
133.06502	6.2
133.10130	8.9
135.08047	14.6
135.11678	12.1
137.02393	2.2
137.05991	3.5
137.09630	2.5
139.03946	6.5
143.08565	3.9
145.06537	5.7
145.10121	10.6
147.04391	2.6
147.08066	4.7
147.11707	4.5
149.05956	2.9
149.09634	2.2
149.13278	2.4
151.03915	3.3
153.05551	2.4
155.03389	39.6
155.06929	2.4
157.04980	22.7
157.06302	3.4
159.08083	3.2
161.06003	3.9
161.13260	4.8
163.03905	15.8
163.07553	31.3
163.11195	4.3
165.05515	3.5
165.09120	5.1
177.09151	7.8
181.04939	19.1
181.08534	10.1
183.11757	2.5
187.07460	3.8
189.05463	8.1
191.07207	2.2
193.12302	4.6
195.06534	3.1
199.06073	4.2
205.04904	2.9
205.08601	43.3
207.06493	14.2
221.08188	2.6
223.09642	59.3
225.07571	8.6
227.12791	2.8
235.20628	2.5
266.13937	2.1
267.15933	2.6
331.26324	2.7
421.27493	2.5
439.28506	14.4
457.29507	36.9
458.30167	2.7
463.62982	2.0
464.16183	2.1
475.30695	38.9
476.31296	2.2
493.21198	3.9
493.27841	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	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84468	4.7
55.01894	5.3
55.05515	31.2
57.07087	46.1
66.40306	4.5
67.05509	100.0
69.07069	51.8
71.05000	5.8
71.08628	26.3
79.05499	35.5
81.07069	72.9
83.04987	7.8
83.08627	23.7
85.10194	14.4
87.55193	5.1
91.05499	18.0
93.07049	63.8
95.08612	49.3
97.06564	9.3
97.10184	20.3
107.08604	35.9
109.10154	65.3
111.11749	14.1
117.07001	6.5
120.65689	4.5
121.10168	21.9
123.11748	10.8
135.11684	38.1
137.13269	13.1
149.13286	15.6
151.14885	7.1
153.09155	5.6
153.12752	8.8
163.14809	13.0
173.11696	9.3
192.40453	5.0
239.23834	6.0
258.25769	5.3
289.28949	22.8
307.30051	14.9
317.28537	13.6
349.31067	12.7
493.33856	15.1
493.38702	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
53.57361	0.5
55.01844	0.7
62.04217	0.5
65.03941	3.1
67.05502	1.4
67.66830	0.5
69.03423	1.5
69.24202	2.9
81.03403	0.7
82.04221	1.2
85.02906	5.3
93.03405	0.7
97.02893	1.5
97.06525	0.7
108.02097	0.7
109.02863	0.6
110.03644	1.7
123.00825	0.8
125.05981	0.9
127.03887	0.7
134.00070	0.5
142.02611	2.1
145.04953	0.9
153.05420	1.0
171.06519	2.2
180.08713	0.6
181.04961	100.0
182.05319	2.8
183.64735	0.6
291.64313	0.5
318.08713	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	494.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
65.43581	0.4
68.43044	0.4
70.62621	0.7
79.05495	4.3
79.96680	0.4
81.88570	0.4
86.61535	0.4
88.04910	0.5
88.59847	0.5
94.37836	0.4
95.04959	0.6
103.05475	2.9
105.07034	100.0
106.07371	3.6
122.09669	36.2
123.10014	1.1
192.06509	1.0
193.06834	0.5
248.56682	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	494.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01884	1.3
57.03446	6.3
61.02940	9.3
69.03436	14.7
70.94885	1.7
70.95226	1.3
71.04994	2.3
71.48678	1.3
73.02920	3.6
78.80791	1.0
81.03419	5.5
85.02911	100.0
86.03253	1.5
87.04481	1.9
91.03951	4.8
97.02890	22.6
99.04458	4.7
109.02917	6.9
121.02874	24.5
121.06523	2.3
127.03925	28.1
128.82658	1.2
137.05986	2.5
138.98090	1.2
145.04967	49.4
153.01823	3.2
153.05475	30.4
163.03925	2.4
163.06020	17.6
166.13551	1.1
244.84395	1.2
271.05447	2.3
287.05692	1.2
289.06079	2.4
290.06241	2.1
296.72968	1.3
302.03940	1.0
317.05701	1.0
331.07986	2.9
332.08270	7.1
494.16876	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01876	3.0
55.05505	3.5
57.03438	7.5
61.02928	7.1
65.03912	2.6
67.05507	5.8
69.03431	21.3
69.07068	3.9
70.59220	4.6
71.05002	37.3
73.02903	4.0
79.05506	10.9
81.03419	13.0
81.07059	36.1
83.08621	9.4
85.02911	100.0
85.06551	66.4
85.06940	1.4
85.07073	2.3
85.38190	2.6
87.04477	3.8
91.03983	2.9
91.05486	13.5
93.07054	31.2
95.04956	3.4
95.08633	11.6
97.02910	25.8
99.04467	5.5
103.03943	5.5
105.07020	5.3
107.08597	18.6
109.02871	10.3
109.06504	2.5
115.03927	2.3
119.04902	2.4
119.08570	4.0
121.06541	5.2
127.03918	25.2
133.05000	2.6
135.11710	24.9
137.05984	5.2
137.09648	2.8
137.13284	11.2
145.04961	39.2
146.05342	3.2
147.04422	4.3
153.01849	7.7
163.06047	21.8
179.05441	4.1
201.05486	5.1
202.05873	6.8
229.10571	5.2
233.10146	3.2
247.11761	7.5
316.05640	6.2
317.06235	8.2
325.11255	3.0
331.08191	5.1
332.08463	21.1
409.17505	3.9
457.59369	2.5
495.18387	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	494.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	6.7
53.07160	6.0
55.01880	13.4
55.05513	57.9
57.03434	17.9
57.31219	6.2
67.05509	73.9
69.03434	7.5
69.07084	21.7
71.04992	15.9
79.05495	62.6
81.03425	100.0
81.07070	87.2
83.04987	23.0
83.08639	42.1
85.02924	15.6
85.06556	9.9
91.05491	70.5
92.05815	7.6
93.07050	58.1
95.04973	52.2
95.08614	37.2
97.06517	10.0
97.10167	26.3
98.22646	18.6
98.23836	7.6
105.07038	67.0
107.04964	23.5
107.08602	35.3
109.06544	24.0
109.10158	13.8
111.04491	11.8
111.08084	14.4
117.07030	24.3
119.08620	31.0
121.06507	18.1
121.10175	24.5
123.08042	10.6
123.11700	10.2
125.09677	11.5
129.06987	18.2
131.08562	31.3
133.06505	9.2
133.10165	31.7
135.08055	11.2
135.11720	16.4
145.06503	9.0
145.10155	21.6
147.08099	15.0
147.11682	13.2
149.09630	14.5
157.10129	17.4
160.38272	6.9
163.11131	16.5
165.12787	7.2
175.11246	21.2
189.11292	10.1
193.12245	59.7
209.11787	10.9
211.11574	9.2
211.13284	43.6
227.12798	16.9
267.15918	71.8
268.16238	8.5
273.14795	6.9
319.01541	6.5
339.11523	6.4
367.22723	14.3
385.23691	25.4
394.30612	7.8
403.24875	10.7
433.25775	33.4
434.70248	6.6
459.27466	72.5
477.28650	38.8
494.28308	15.6
495.29501	35.4
499.60303	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	494.3241
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.01870	0.7
55.05511	3.1
56.05040	1.4
57.03446	0.9
57.07083	0.9
58.06602	1.7
59.07402	0.5
60.08165	16.6
67.05505	3.6
69.07074	3.0
70.06595	0.8
71.07374	8.1
75.34136	0.5
79.05495	1.8
81.07050	3.9
83.08620	1.8
86.09706	53.9
87.10040	0.9
88.07658	0.6
91.05479	1.2
93.07047	2.1
95.08619	2.0
96.08872	0.5
97.10130	1.0
98.98464	4.8
100.96765	0.5
102.09191	0.6
104.10745	100.0
105.11076	1.9
107.08583	1.5
109.10181	0.5
111.08050	0.7
121.10183	1.0
123.11806	0.5
125.00005	30.0
131.08588	0.6
133.10164	0.6
135.08002	0.5
135.11678	1.0
149.02338	1.6
163.01605	0.7
184.07344	97.3
185.07724	1.2
193.04971	2.0
231.92390	0.5
237.07590	1.8
258.11148	1.0
262.02676	0.5
284.29547	1.0
299.14789	0.5
311.25757	1.0
379.25494	0.6
401.81503	0.5
420.64960	0.6
441.03006	0.6
476.31525	7.7
477.31906	0.7
494.32336	22.7
495.32736	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	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46721	0.1
55.05514	0.6
56.05044	0.7
57.03439	0.2
57.07073	0.3
58.06638	0.4
59.07396	0.2
60.08167	6.9
67.05498	0.6
69.07073	0.9
70.06600	0.5
71.06985	0.2
71.07379	3.6
71.08630	0.1
79.05502	0.4
81.07062	0.7
83.08627	0.5
86.09709	33.2
87.10049	0.5
88.07630	0.5
91.05501	0.3
93.07027	0.3
95.08608	0.3
97.10175	0.2
98.98471	3.6
102.09179	0.2
102.53736	0.1
104.10753	3.3
105.07059	0.2
107.08609	0.2
109.10133	0.2
116.69284	0.1
121.10171	0.2
125.00009	22.4
126.00381	0.2
135.11697	0.1
143.01073	0.3
149.02348	1.2
184.07349	100.0
185.07745	1.6
193.04979	1.3
200.20166	0.2
218.11974	0.1
237.07642	1.2
258.11096	0.2
284.29459	0.9
311.25858	0.3
411.08594	0.1
449.01132	0.1
476.31461	0.8
494.34314	2.3
495.29614	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	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
56.05036	1.0
57.07075	0.7
58.06561	1.6
59.07375	0.4
60.08168	17.6
60.26391	0.3
67.05506	2.1
69.07063	2.5
69.67182	0.6
69.67539	1.6
69.78693	0.3
70.06590	0.7
71.07381	7.2
71.08625	0.4
72.06746	0.3
79.05513	1.3
81.07072	2.6
83.08627	1.4
85.06568	0.3
85.57483	0.3
86.09711	51.0
87.10066	0.5
88.07661	0.7
91.05526	0.5
93.07056	1.0
95.08611	1.2
97.10186	0.8
98.98462	4.0
102.09190	0.9
104.10750	93.4
105.11086	0.9
107.08640	0.5
109.10179	0.5
121.10136	0.8
125.00011	27.3
131.08556	0.4
149.02403	1.6
149.23027	0.4
158.52110	0.3
184.07355	100.0
184.46693	0.3
185.07722	1.2
193.04893	1.6
220.06789	0.4
237.07623	1.5
258.11115	0.9
284.29462	1.2
311.25858	1.4
453.64948	0.4
476.24905	0.6
476.31378	7.4
477.31653	0.9
494.32434	19.9
495.33047	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	495.077
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
55.01873	0.8
57.03435	1.2
68.99796	1.6
69.03436	0.7
71.01357	1.5
73.02917	3.2
85.02911	7.9
95.01340	1.2
98.23365	1.3
101.02395	0.7
103.03940	0.8
109.02878	0.9
111.00810	2.3
111.40173	0.4
113.02363	4.4
126.33208	0.4
131.03419	1.5
137.02361	1.5
141.01842	1.6
153.01826	10.0
157.59206	0.4
159.02869	2.0
165.01837	3.3
166.02632	0.5
179.03394	1.4
183.02910	1.0
189.05568	0.9
195.02809	0.7
199.04077	0.6
203.03337	0.7
217.04980	2.7
229.04991	0.5
231.02893	0.6
245.04440	4.2
255.02905	0.4
263.05585	0.7
273.03937	4.7
290.04163	1.2
301.03522	1.1
319.04486	100.0
320.04803	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	495.1134
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
56.28346	0.7
57.03440	1.3
61.02922	1.6
69.03418	2.1
69.17416	0.7
69.59467	3.0
69.59875	1.3
81.03428	1.9
82.18034	0.6
85.02908	9.2
88.28481	0.7
97.02891	3.0
98.22734	1.1
109.02869	1.5
111.00824	2.0
127.03953	1.2
137.02316	1.9
139.03903	1.9
145.04970	1.8
153.01830	9.0
165.01860	2.5
166.02606	0.8
167.03445	2.2
167.07080	1.2
189.05496	1.0
193.04959	1.0
217.04982	2.5
219.02907	4.6
233.04425	2.0
238.95227	0.9
244.03723	2.1
245.04405	4.0
254.66364	0.8
267.59219	0.8
273.04013	4.5
277.07108	1.5
289.03485	2.1
290.04187	2.1
301.03452	6.0
302.04062	0.8
304.05814	0.9
318.03711	11.7
319.04199	1.0
331.07962	0.8
332.08368	2.2
333.06027	100.0
334.06409	5.0
494.30469	2.5
495.13837	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	495.1133
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.03915	0.3
57.03395	0.6
59.04972	0.2
61.02929	0.9
65.24585	0.1
69.03436	3.0
69.20469	1.1
71.01316	0.2
71.04963	0.2
73.02871	0.6
77.27089	0.1
78.34728	0.2
81.03422	1.0
85.02910	5.1
85.24321	0.2
87.04471	0.9
91.03915	0.3
95.70747	0.1
97.02896	2.4
98.23459	0.1
99.04406	0.5
101.02364	0.2
103.03949	0.2
108.02077	0.2
109.02312	0.1
109.02873	1.3
126.03120	0.7
127.03931	1.4
134.20496	0.1
136.01555	0.3
136.12320	0.2
137.02325	0.3
145.04964	0.9
152.00990	0.2
153.01833	4.9
165.01895	0.2
166.02620	1.0
179.03429	0.3
188.04660	0.3
192.05836	0.1
193.01283	0.2
202.02570	0.2
205.04938	0.3
206.05669	0.3
208.03641	0.3
210.01591	0.2
216.04152	1.0
217.04803	0.5
219.02872	2.2
220.03639	0.5
227.03363	0.2
230.02113	0.4
231.06427	0.2
233.04413	0.6
234.05106	0.4
243.02911	0.4
244.03685	3.7
245.04446	2.1
247.02545	0.2
255.02823	0.2
259.06049	0.3
261.03909	1.4
262.04843	0.2
272.03146	1.4
273.03894	1.5
274.04117	0.2
287.05441	0.5
289.03406	1.9
290.01233	0.3
290.04227	4.0
300.02524	0.2
301.03430	5.3
315.05002	0.2
317.02924	7.1
318.03702	51.9
319.04062	1.7
332.05261	0.3
333.06039	100.0
334.06393	4.1
375.07178	0.9
495.11356	17.4
496.11902	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	495.1136
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.69159	0.2
60.65110	0.2
68.99843	0.4
69.03487	0.3
69.62320	0.8
81.03493	0.4
81.35349	0.3
84.28923	0.2
85.02992	0.5
86.09873	0.2
88.82882	0.2
88.95409	0.2
97.02978	0.2
98.22614	0.3
108.02203	0.3
109.02976	0.6
121.02885	0.2
121.06551	0.3
126.03141	1.0
127.03929	0.2
136.01640	0.3
137.02466	0.6
137.06088	0.3
138.03217	0.4
151.03990	0.8
152.01108	0.3
153.01845	6.9
162.05496	1.3
165.01845	0.2
166.02759	0.7
167.03516	0.2
170.02167	0.2
177.05496	0.2
179.03522	0.6
181.05035	0.4
188.04803	0.3
189.05481	0.2
193.01428	0.4
205.05106	0.5
206.05832	0.3
208.03767	0.4
210.01787	0.2
216.04211	1.3
217.04997	0.3
219.02898	2.5
220.03728	0.8
230.02162	0.5
233.04562	0.7
234.01743	0.2
234.05367	0.3
243.02864	0.4
244.03693	4.2
244.06157	0.3
245.04416	1.8
255.03050	0.3
261.03897	1.5
270.05347	0.3
271.05597	0.3
272.03210	1.5
272.05792	0.3
273.03931	1.4
287.05469	0.3
289.03445	1.3
290.04242	4.3
300.02521	0.3
301.03473	5.5
315.13403	0.5
317.02936	9.0
318.03711	55.3
319.03989	2.7
331.08282	0.6
332.08536	0.8
333.06033	100.0
334.06400	4.9
411.44116	0.2
495.11288	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	495.1136
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.05295	0.2
53.45698	0.2
57.49168	0.2
69.03423	0.5
73.02832	0.2
75.91645	0.2
79.05451	0.2
81.07059	0.3
81.35236	0.3
85.02894	0.7
85.24381	0.2
95.08585	0.3
106.92811	0.2
108.02074	0.2
109.02871	0.6
121.06494	0.3
123.04436	0.4
126.03125	0.7
137.02376	0.2
137.05962	0.6
138.03119	0.4
139.03894	0.3
151.03941	0.3
153.01831	4.2
153.02963	0.4
153.10161	0.2
166.02597	0.8
167.14188	0.2
181.04955	0.3
188.04704	0.2
193.01291	0.4
205.04901	0.4
206.05779	0.3
208.03642	0.3
216.04248	1.0
217.04929	0.2
219.02876	1.8
224.11821	0.2
230.02087	0.3
233.04425	0.3
234.05299	0.3
244.03658	2.8
245.04460	1.6
261.03976	0.7
272.03104	1.2
273.03998	1.2
289.03433	1.5
290.04227	3.2
301.03439	4.1
301.06592	0.4
302.03827	0.3
317.02975	5.5
317.06485	0.4
318.03708	46.5
319.03998	2.3
333.06046	100.0
334.06375	5.1
334.10104	0.4
367.51248	0.2
495.11469	2.5
495.18207	0.4
519.48145	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	495.129
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
55.05503	0.8
64.82874	0.6
67.05507	1.9
69.78625	3.6
79.05482	2.6
81.03431	1.4
81.07059	3.2
91.05489	5.0
93.07044	2.0
95.08617	0.9
102.04710	4.6
103.05495	1.3
104.07111	0.8
105.07037	1.8
107.04993	1.9
107.08627	1.5
113.02484	0.8
115.05459	0.9
119.04935	3.2
124.05217	1.9
130.04163	9.5
131.04951	3.6
133.06465	1.0
135.04385	1.8
137.05981	4.7
146.03687	1.6
147.04449	13.1
148.05167	2.2
150.06815	4.1
151.07570	1.6
153.01823	5.3
161.06003	2.6
162.06778	18.8
163.04059	0.9
187.03885	1.1
193.12360	0.9
203.03491	0.9
213.05495	1.3
216.04274	1.6
217.04909	1.8
228.04210	2.2
229.05023	3.0
231.06697	0.9
237.05573	0.9
240.04462	0.8
241.04973	2.5
243.02931	1.1
243.06662	0.9
244.03735	4.4
245.04527	2.8
257.04480	5.0
258.05191	1.2
259.06024	4.2
269.04553	2.2
270.04953	0.9
271.05994	1.8
273.03992	2.5
283.05899	1.4
285.03922	4.4
286.04410	1.6
287.05499	18.9
288.05951	1.0
299.05576	1.5
301.03461	9.3
301.06766	1.4
302.04327	4.1
313.03406	7.7
315.05051	4.4
316.05862	2.4
317.06448	1.1
318.91843	0.8
327.05115	3.4
338.33289	0.8
343.04630	3.5
353.06436	4.0
357.06491	1.1
371.07687	1.5
398.45477	0.8
402.87326	0.8
418.56726	0.9
427.52136	0.8
445.09341	4.1
462.09286	1.5
465.11801	3.2
477.11664	5.6
495.12878	100.0
496.13223	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	495.1838
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
61.58621	0.3
69.03441	0.6
69.58596	1.4
71.05001	0.3
73.02915	0.3
81.03437	0.5
85.02919	0.6
99.04446	0.3
113.05794	0.9
153.01860	0.4
158.70711	0.3
175.07648	0.3
177.05519	0.5
189.01675	0.4
203.05354	0.5
243.06398	0.5
245.30360	0.3
257.09982	0.6
261.07330	5.0
266.66299	0.3
275.11038	3.7
280.69287	0.3
315.12088	2.8
333.06290	0.5
333.13107	3.2
423.12546	1.2
495.18399	100.0
496.18701	7.8
496.25806	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03954	7.5
55.01873	7.7
55.05516	27.6
57.03440	18.5
57.07084	2.4
65.03951	3.1
67.05509	53.6
69.03429	9.3
69.07076	11.7
71.05003	11.4
73.28844	1.7
79.05500	59.2
81.03423	92.0
81.07062	60.4
82.07428	2.1
83.04988	26.6
83.08623	40.1
85.02909	41.9
85.06570	4.6
91.05486	72.8
92.05853	2.4
93.07052	41.2
93.07624	2.0
95.04974	50.1
95.08614	26.0
97.02930	5.7
97.06554	10.0
97.10169	7.8
98.22654	3.9
99.04424	1.9
99.08170	2.4
100.11301	6.8
105.07037	50.5
107.04965	17.9
107.08591	18.4
107.09175	1.5
109.06531	19.1
109.10216	7.3
111.04462	7.8
111.08088	20.2
113.06046	5.6
115.05515	3.9
117.07054	6.2
119.05001	2.3
119.08582	36.3
121.06544	6.2
121.10135	22.9
121.10870	1.8
123.08144	5.7
123.11758	5.9
125.06027	2.2
125.09702	5.3
127.07588	2.1
128.06232	2.0
129.07021	20.4
131.08565	22.8
133.06555	4.5
133.10136	20.7
135.08121	5.1
135.11746	4.2
137.09668	5.2
139.11290	1.8
141.06973	1.8
142.07837	4.6
142.78899	1.7
145.06555	2.1
145.10191	5.5
147.08110	6.8
147.11687	27.4
147.12711	1.9
149.09624	14.6
151.11237	4.5
153.01875	1.9
157.10139	24.0
163.11272	6.0
165.12778	7.7
167.07111	2.4
168.13878	2.1
169.04932	1.9
173.09669	2.5
175.11197	26.9
182.15475	2.3
191.14468	2.8
193.12256	90.6
194.12590	5.1
211.13304	100.0
212.13750	4.5
219.13928	6.9
225.36693	1.6
227.12929	1.9
259.15457	3.4
267.15924	11.0
278.10812	2.0
283.15576	2.2
285.17035	6.0
355.18301	1.9
367.22635	3.0
385.23776	3.5
403.24741	2.2
459.27133	3.4
477.28717	8.5
495.29742	70.2
496.30145	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	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	0.6
51.02362	0.6
53.03940	4.2
53.48270	0.4
55.05513	24.7
57.03154	0.8
57.03438	15.9
57.07069	0.4
57.89513	0.4
59.04993	1.6
65.03955	2.7
66.82275	0.4
67.05505	41.1
68.05842	0.6
69.03427	6.5
69.07070	11.0
69.19249	1.5
69.19669	1.3
71.01344	0.5
71.04993	9.7
73.02906	0.6
77.03919	0.8
79.05495	43.7
80.05830	0.9
81.03419	97.3
81.07057	46.6
82.03763	1.8
82.07378	0.5
82.81996	0.4
83.04984	20.0
83.08622	35.0
84.08952	0.8
84.53490	0.4
85.02907	49.5
85.06545	4.0
86.03249	0.4
87.04460	1.0
91.05482	54.5
92.05806	1.3
93.07047	28.4
94.07349	0.5
95.04971	42.9
95.08605	17.2
96.05292	1.0
97.02891	4.9
97.06535	7.0
97.10172	5.0
98.22501	0.8
99.04481	0.8
99.08069	1.6
101.06006	0.4
103.05471	1.0
105.04525	1.4
105.07030	36.9
106.07326	0.7
106.79836	0.4
107.04958	10.8
107.08598	12.8
108.40462	0.4
109.06523	7.4
109.10162	5.9
111.04450	4.8
111.08086	17.6
111.08860	0.9
113.06005	4.6
115.04762	0.4
115.05462	2.7
117.07011	4.0
119.04925	1.5
119.08581	31.5
120.08916	0.9
121.06508	3.0
121.10149	14.5
123.08095	4.0
123.11699	2.6
125.05971	1.2
125.09641	2.9
127.07540	1.1
128.06218	1.3
129.05556	0.7
129.07008	17.6
130.07365	0.6
131.08569	16.3
132.08853	0.7
133.06494	4.5
133.10133	13.3
134.10452	0.5
135.08080	1.1
135.11684	1.2
137.05968	0.7
137.09631	2.7
141.06989	0.7
142.07758	4.8
143.08504	0.6
145.10132	2.9
147.08076	4.5
147.11688	23.0
148.12019	1.0
149.09618	9.1
149.13313	0.8
151.07593	0.5
151.11171	1.3
155.08548	1.1
157.10124	20.7
158.10454	1.0
163.11194	1.5
165.12769	5.1
175.11185	23.4
176.11501	0.9
189.11272	0.9
193.12244	92.9
194.12602	3.3
209.11678	0.6
211.13293	100.0
212.13599	3.1
213.12814	0.5
227.12782	1.0
232.30846	0.5
233.15312	0.5
249.14923	0.6
267.15918	7.6
268.16293	0.5
285.17023	2.7
300.14273	0.5
339.23041	0.6
367.22507	0.6
385.23679	1.5
403.24564	0.8
433.25858	0.6
459.27454	2.2
464.18073	0.6
477.28278	3.6
495.29529	59.5
496.29810	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	496.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35695	11.0
70.06615	2.1
72.08141	2.4
79.01882	4.2
86.09709	2.6
95.04984	7.5
97.02863	2.2
107.01334	3.8
109.02892	2.7
115.44750	2.1
116.78141	2.0
125.02347	4.6
127.03925	4.2
131.08687	1.7
139.03894	3.2
143.03413	6.8
153.01833	100.0
153.02786	5.4
177.05467	2.4
198.24962	2.2
207.96457	1.9
219.02928	2.0
275.01846	2.4
309.06064	21.8
315.35657	2.2
349.20392	2.2
461.06870	2.7
472.77533	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	496.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
58.68394	0.5
63.87510	0.4
69.03442	3.0
70.45198	1.2
70.45544	0.8
74.20774	0.5
79.01849	1.8
81.03424	8.1
81.07046	0.5
85.02907	2.6
97.02908	5.4
99.04466	0.9
101.34019	0.5
107.01309	2.4
109.02886	4.8
123.43060	0.5
125.02341	2.9
127.03912	7.9
127.13767	0.5
127.37609	0.6
143.03386	4.7
145.04970	2.2
147.04399	2.2
153.01837	100.0
153.02765	4.1
154.02177	2.3
171.02902	15.0
237.04057	0.6
297.06076	11.6
315.07095	15.3
318.03677	1.9
319.03970	3.1
332.08548	1.2
333.05649	2.7
334.06058	5.6
378.70667	0.6
496.11935	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	496.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.32924	0.8
54.40343	0.7
56.77819	0.8
65.45144	0.8
66.09380	0.7
68.64823	0.6
69.03428	3.8
70.78673	0.7
71.04996	0.9
71.06756	0.8
71.07103	0.9
79.01859	3.7
81.03419	10.5
81.83160	0.7
85.02898	2.8
89.36076	0.6
97.02924	5.5
107.01331	2.0
109.02877	5.8
121.10161	0.9
123.04391	1.0
125.02338	3.5
127.03930	8.2
137.05983	1.1
139.03888	1.7
143.03391	5.7
145.04970	1.5
148.07353	0.7
153.01830	100.0
153.02852	4.6
154.02194	3.3
167.59958	0.7
171.02887	12.8
184.07416	1.1
237.03712	0.7
297.06058	9.4
315.06995	5.4
421.10364	0.7
431.78326	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	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19927	3.3
54.06596	3.5
55.05510	10.0
57.03417	4.2
67.05493	10.9
69.03427	15.2
69.07071	4.2
71.04995	6.2
71.08633	21.8
71.28677	3.8
75.80244	3.4
78.50101	3.3
79.05497	8.3
81.03419	20.5
81.07065	17.6
82.07369	3.6
83.04987	4.0
83.08604	4.4
84.05995	3.4
85.02431	6.0
85.02911	80.6
85.45348	3.3
88.53348	3.3
91.05491	10.4
92.05816	3.5
93.07040	8.3
95.04973	6.8
95.08608	8.0
97.02899	17.7
99.04456	38.7
99.08101	37.9
100.11246	4.0
103.03947	100.0
105.07053	9.8
106.07383	3.5
107.08585	4.6
109.02856	13.8
109.10192	3.7
115.59268	3.4
119.08558	4.8
121.10121	4.1
127.03925	79.7
128.04271	3.2
129.12741	4.6
133.10150	6.9
145.04961	63.5
159.73694	3.9
163.06017	72.1
167.18854	3.4
173.15324	21.0
193.12288	7.7
194.12556	5.9
205.06993	4.4
211.00655	4.0
211.13382	5.9
212.13676	6.9
285.17789	4.4
289.09067	3.9
307.10196	14.4
353.52878	4.0
420.83746	4.3
426.00488	3.8
479.30234	5.5
496.29504	13.2
497.27246	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	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05523	0.6
56.05038	1.1
57.03440	0.7
57.07070	1.6
57.42235	0.3
58.06613	1.1
59.07382	0.4
60.08167	16.5
61.51961	0.4
62.47010	0.3
67.05500	0.9
69.07063	0.6
69.77696	1.1
71.04974	0.5
71.07378	6.7
71.08617	1.9
75.90591	0.3
81.07063	1.4
83.08610	0.7
85.10178	0.7
86.09710	47.4
87.10039	0.6
89.31895	0.3
91.05457	0.4
93.07091	0.4
95.08607	1.1
98.22724	0.6
98.98466	3.9
104.10748	94.4
105.11095	1.4
109.10147	0.7
125.00011	27.7
163.01595	0.5
178.65959	0.4
184.07352	100.0
185.07698	1.2
249.84358	0.4
258.11072	0.9
313.27444	1.6
419.25879	0.6
478.26544	0.7
478.32962	8.7
479.33484	0.4
496.33987	25.8
497.34058	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	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
57.07072	1.0
60.07885	0.6
60.08168	5.2
71.07395	2.7
71.08628	0.7
80.46425	0.4
86.09709	31.2
90.98203	0.4
93.53542	0.4
95.08649	0.4
98.98476	3.5
100.40282	0.4
103.16779	0.4
104.10761	3.0
106.64268	0.4
109.87096	0.4
109.91768	0.5
118.72188	0.5
125.00010	23.3
139.81178	0.5
146.71262	0.5
147.51808	0.4
178.83133	0.5
184.07350	100.0
185.07683	1.2
216.47900	0.5
274.02774	0.5
404.54016	0.5
434.84268	0.5
496.33762	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	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.05038	1.5
57.03434	0.6
57.07079	3.4
58.06575	1.7
59.07402	0.3
60.08165	18.8
61.08489	0.3
67.05492	0.9
69.07056	0.6
69.57849	1.0
70.06604	0.3
71.07375	6.8
71.08634	2.1
79.05480	0.3
81.07064	1.1
83.08618	0.5
85.10192	1.1
86.09706	53.7
87.10030	0.7
91.05434	0.2
95.08611	0.8
97.10159	0.3
98.98466	4.6
104.10744	100.0
105.11093	1.1
109.10135	0.4
119.28130	0.2
125.00005	30.1
133.81380	0.2
154.95578	0.2
163.01591	0.6
181.02632	0.3
184.07341	97.1
185.07724	1.3
196.34697	0.2
233.17804	0.2
234.28873	0.2
258.11087	1.4
299.33728	0.2
313.27341	1.6
351.95645	0.2
419.25504	0.4
478.32922	7.6
479.33353	0.5
496.33972	22.7
497.34418	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	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21626	0.3
55.05508	0.5
56.05024	0.7
57.03443	0.4
57.07062	0.8
58.06620	0.6
60.08168	6.2
67.05499	1.0
69.07062	0.5
69.29966	0.5
69.30368	1.6
71.07376	2.8
71.08624	0.8
79.05482	0.7
81.07053	1.4
86.09706	29.9
86.37458	0.3
93.07024	0.6
95.08606	0.8
98.22623	0.6
98.98459	3.4
104.10736	2.7
107.08620	0.3
109.10130	0.4
123.11780	0.3
125.00006	20.9
133.10083	0.4
143.01074	0.3
184.07344	100.0
185.07672	1.7
248.50774	0.3
284.98730	0.3
313.27383	0.5
323.18347	0.3
478.32819	0.6
496.34116	2.0
517.18707	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	497.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
51.13910	0.7
52.13275	0.7
53.03956	8.0
54.54026	0.8
55.01878	12.0
56.63987	0.7
56.93958	0.8
57.03439	4.1
67.01851	2.7
67.35793	0.7
67.67252	0.7
69.03434	30.0
70.18456	0.8
71.01334	1.2
71.04993	8.1
72.67222	0.7
79.01830	0.8
79.05493	1.1
81.03425	26.9
85.02447	0.8
85.02914	11.6
91.05493	1.6
91.23693	0.7
97.02917	6.2
98.23414	1.2
99.04466	16.7
101.02361	3.3
107.04948	1.2
109.02886	21.1
115.03903	1.9
117.03400	1.6
117.05489	3.4
119.04943	1.3
121.06506	3.7
126.36753	0.7
127.03924	25.2
131.04939	0.8
133.02853	2.1
135.04442	1.8
137.02312	2.8
137.05940	2.2
138.09151	0.9
145.02834	1.1
145.04967	3.2
147.04422	4.2
149.02365	2.1
153.01830	7.4
157.02824	1.2
160.18742	1.0
163.03918	10.8
165.01863	6.8
172.82048	0.7
173.02342	3.1
175.00269	1.5
175.03903	2.3
177.01840	6.5
177.05455	1.0
179.03400	4.2
181.04919	0.9
190.02663	1.0
191.03406	33.9
192.00572	1.2
192.03879	1.1
193.01343	14.0
193.04953	1.0
195.02834	1.2
199.06023	1.5
201.01762	4.0
203.03384	9.9
205.01318	6.2
207.02895	11.5
209.04462	0.8
211.02432	1.2
215.03282	1.1
218.02115	6.0
219.02898	39.5
220.03424	1.5
221.00826	100.0
222.01169	2.9
223.02386	3.9
223.92601	0.8
229.01357	3.2
231.02902	8.9
233.00824	16.1
233.04524	3.0
235.02386	43.6
236.02794	2.1
237.04036	0.9
238.01091	3.8
239.01875	21.1
247.02393	31.5
248.02788	1.3
253.03465	15.1
257.00803	10.3
259.02396	4.8
261.03900	3.7
263.05511	0.9
265.03537	2.6
275.01868	49.9
276.02435	4.3
277.03375	5.7
279.05035	2.3
285.00397	4.9
289.03442	12.3
291.05048	1.7
293.02945	7.2
302.97949	1.1
303.01346	17.5
303.04642	1.3
307.04480	4.6
317.03101	2.4
321.02478	6.8
335.03995	10.0
353.05087	10.2
365.05173	1.0
375.37439	0.8
379.06555	2.1
419.06354	1.2
437.07208	6.2
447.05667	2.1
451.08731	1.6
465.06607	8.1
479.08224	3.5
497.09277	66.2
498.09473	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	497.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
55.01878	0.5
67.05503	0.6
75.15302	0.5
79.01849	7.3
83.04969	0.8
93.03452	0.5
95.04976	1.7
97.02888	1.7
107.01331	1.9
107.17395	0.4
109.02892	1.2
111.04431	1.7
125.02348	3.6
127.03938	1.7
129.05455	0.7
139.03899	1.2
143.03398	6.7
153.01828	100.0
153.02914	6.5
154.02162	2.1
171.02861	1.7
198.76532	0.5
309.06064	11.2
310.06412	0.5
327.07178	4.8
328.07416	0.5
400.19565	0.5
479.08395	2.9
497.09433	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	497.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
65.03935	1.6
67.01849	0.4
67.05495	1.0
71.04990	0.5
71.11964	0.4
71.30058	0.6
81.03424	4.4
81.07043	0.5
85.02905	0.5
87.37879	0.4
88.32847	0.5
89.03880	0.5
91.05478	11.3
93.07048	0.7
95.04990	0.5
99.04468	2.5
99.05054	0.4
101.24424	0.5
102.78346	0.4
107.08572	0.6
109.02885	5.8
119.04948	23.3
127.03915	4.1
147.04413	100.0
148.04773	2.3
157.06644	0.5
169.04971	16.2
177.05486	0.8
186.49380	0.4
209.34351	0.5
227.07050	0.7
245.94334	0.5
255.06535	2.2
273.07523	4.1
315.08603	1.4
318.44931	0.4
497.11960	0.5
497.27194	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	497.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.4
50.98484	0.4
51.02415	1.2
51.71490	0.3
55.01892	0.4
64.11322	0.4
67.05524	0.4
69.03458	0.5
69.43950	1.6
69.44365	0.8
79.01857	6.8
79.05496	0.6
89.50326	0.4
91.05491	1.9
93.07063	0.6
94.04214	1.0
95.04988	0.6
95.08632	0.4
97.02933	1.5
103.05474	18.1
105.07056	0.6
107.01350	1.8
107.04989	0.4
111.04443	0.6
115.05504	1.0
117.07043	1.4
119.04959	1.3
121.06538	1.7
122.03675	1.6
123.04463	1.2
125.02363	3.8
128.06212	2.6
131.04933	28.2
132.05310	0.5
135.07991	0.5
137.05981	19.4
139.03902	10.6
143.03412	7.0
143.08557	4.3
145.06485	0.7
147.04433	1.1
149.09627	0.7
151.03937	1.0
151.07545	2.6
153.01834	100.0
153.02921	6.8
154.02148	3.5
155.02274	0.5
160.05222	0.5
162.06802	0.5
163.07547	57.7
164.07906	2.4
164.21161	0.4
165.05489	0.7
170.92430	0.4
171.08075	5.8
175.03944	0.9
175.07547	8.0
177.09122	7.0
178.09471	0.5
195.10208	2.1
203.10680	3.5
207.06470	1.0
221.11668	0.9
231.89607	0.4
273.07535	0.5
297.07544	0.7
314.07141	0.5
315.08414	0.4
329.10074	0.6
355.11502	0.4
373.12885	3.0
479.16483	1.5
497.17593	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.5
52.30066	1.9
53.03947	9.9
55.01872	6.7
55.05513	25.3
57.03437	27.6
57.07076	3.2
59.05007	2.5
61.02927	51.6
62.47140	2.2
63.45930	1.9
65.03939	3.9
66.70697	1.9
67.05505	90.4
69.03084	3.3
69.03432	37.4
69.07067	20.8
69.44380	7.9
71.01349	6.0
71.04992	7.0
73.02920	30.1
75.04469	2.8
79.05497	55.8
79.05959	3.0
80.05820	2.6
81.03414	22.8
81.07059	100.0
83.04971	8.2
83.08620	8.8
85.02905	57.7
85.06529	4.2
87.04467	2.9
88.87897	2.0
91.03953	32.2
91.05486	45.7
93.07044	55.2
95.04961	9.4
95.08610	69.5
97.02890	47.0
97.06513	4.3
97.10178	5.1
99.04452	11.4
101.02396	9.9
103.03947	8.7
103.05487	2.3
105.07014	29.3
107.04960	2.6
107.08595	34.3
109.02879	7.6
109.06497	5.8
109.10153	31.0
111.04427	4.0
111.08090	2.7
115.03918	4.0
117.05447	2.7
117.07041	13.0
119.08576	23.5
121.06520	3.5
121.10132	26.8
123.08089	5.1
123.11719	11.7
125.09624	2.9
127.03913	17.2
129.05472	5.7
129.06981	6.8
131.08566	22.0
133.06535	2.4
133.10156	20.5
134.10388	2.0
135.08054	2.9
135.11678	24.6
137.13243	5.7
143.08543	6.3
145.04955	6.3
145.10114	13.6
147.08098	3.2
147.11647	12.3
149.09584	2.4
149.13237	10.3
151.11154	2.3
155.08522	3.1
157.06590	2.4
157.10179	4.9
159.11639	13.9
161.13245	8.9
163.11191	5.6
163.14850	6.6
169.10187	3.5
171.11708	6.1
173.09676	2.0
173.13274	12.8
175.14777	3.8
177.12794	2.8
183.06548	5.0
183.11597	2.7
184.07385	2.1
185.13295	4.6
187.14838	6.3
191.14200	2.9
194.44014	2.5
199.14737	2.4
201.07585	4.0
224.95314	2.6
243.21103	4.1
259.20490	4.6
261.22122	16.3
273.22180	3.2
289.21674	3.2
301.21487	3.1
303.23215	3.4
315.23117	3.3
335.25800	61.7
336.26160	3.6
345.24371	3.0
357.23816	2.9
363.25250	3.2
369.24258	4.5
387.25400	4.1
443.28015	3.6
461.29129	3.9
479.30173	6.0
497.30966	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	498.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93491	0.3
72.08160	0.3
80.89639	0.3
81.03432	0.4
89.03927	0.4
89.15131	0.3
97.02907	0.6
97.87452	0.3
98.03262	0.3
107.04948	0.4
117.03403	0.7
137.06003	1.1
141.05267	0.4
145.02843	2.0
149.05988	0.7
150.06357	0.3
151.03941	0.3
162.02911	1.4
163.03877	0.7
168.04227	2.7
169.04742	4.4
177.05475	3.0
178.05748	0.6
210.14917	0.5
214.04756	4.9
234.11253	1.5
256.05829	2.0
286.06946	0.5
307.07495	0.3
316.07877	0.4
322.21484	0.4
342.09549	1.8
358.08987	3.8
434.17255	0.5
452.17825	0.5
498.13705	100.0
498.25803	2.9
499.13910	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	498.1739
Annotation	Stephavanine
Peak:m/z	Relative Intensity
69.19361	0.6
69.19772	2.3
72.08157	0.6
89.03930	1.0
98.22628	0.8
99.36701	0.3
99.88856	0.3
117.03383	2.2
119.00739	0.3
137.06012	0.6
145.02856	8.6
149.06055	0.9
153.01874	1.3
169.66991	0.4
177.05475	10.9
185.04326	0.4
234.11269	4.9
322.21277	1.4
336.12073	3.9
485.59467	0.4
498.17401	100.0
498.25653	8.4
499.17633	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	498.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23349	3.0
53.03939	8.2
55.01859	3.6
55.05493	6.4
57.03428	4.4
67.05495	9.8
69.03428	16.4
71.04990	3.9
75.65395	3.5
79.05492	20.8
81.03429	38.7
81.07055	16.3
85.02876	6.7
87.78981	3.6
91.05489	15.0
93.07048	54.8
95.04992	7.3
95.08645	4.7
96.84159	3.7
97.02883	8.1
97.06532	6.4
98.97605	7.4
99.04462	20.3
105.07030	52.1
107.08598	100.0
109.02868	15.1
109.06531	5.1
111.04472	4.9
111.08093	4.1
111.27549	3.6
113.87584	3.7
117.03328	5.5
117.07021	6.7
119.08571	19.8
121.06528	22.0
121.10146	51.9
127.03911	18.6
131.05019	4.2
131.08589	5.7
133.10210	5.8
135.08089	10.3
135.11685	15.3
139.03967	3.4
139.07574	4.1
143.08490	4.4
145.02876	19.6
145.10101	38.3
149.09622	18.3
161.09639	6.6
163.09825	5.7
163.11189	78.1
167.10617	4.1
173.09579	7.4
177.05498	40.2
180.35625	3.8
181.12273	15.0
190.74736	3.5
191.10680	76.5
209.11781	26.6
227.12808	31.5
234.11232	18.1
253.12325	4.6
270.81339	4.0
289.14380	5.7
291.99704	4.2
299.12750	8.0
317.13913	13.7
335.14801	17.4
336.14984	4.9
353.15952	45.1
354.16495	4.8
362.63242	4.0
498.19427	26.8
498.26611	20.2
499.08240	7.1
499.21335	5.7
499.28348	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41483	5.2
53.03934	7.5
55.05507	8.0
65.26193	4.0
65.76769	4.6
66.89108	4.5
67.05510	9.4
69.03439	14.8
70.67891	4.7
71.05001	9.2
79.05500	33.4
81.03406	24.1
81.07059	11.8
83.04990	5.3
85.02920	7.0
86.37996	4.4
91.05482	18.0
93.07057	60.8
95.04949	5.9
95.08569	6.2
96.79475	4.3
97.02889	8.6
97.06527	4.9
99.04452	20.2
105.07030	70.8
107.08602	80.5
109.02848	9.8
109.06529	7.1
111.04433	8.4
117.03396	9.6
117.07105	5.7
119.08607	21.4
121.06506	23.8
121.10141	59.9
123.04475	5.7
123.08036	5.8
127.03906	10.9
131.08525	8.8
133.06516	6.7
135.08055	12.4
135.11722	19.7
139.03894	61.3
145.02853	33.0
145.10109	51.5
149.05972	7.7
149.09624	17.4
163.03876	5.1
163.11174	100.0
167.10724	6.3
173.09639	12.1
177.05478	48.5
181.12250	17.0
189.09250	4.5
191.10667	79.4
209.11713	44.8
227.12799	36.6
234.11275	18.8
246.98450	4.5
257.11380	5.5
284.45291	4.7
289.07068	5.5
299.12689	5.3
317.13870	11.4
335.14883	41.3
353.16019	24.0
362.95303	5.0
498.20496	9.8
498.26199	37.9
499.08496	9.2
499.27023	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.3
60.77675	0.3
63.02350	0.7
70.06557	0.5
70.85027	0.6
72.08155	9.3
75.09229	0.4
84.08141	1.1
86.09735	0.3
89.03916	7.8
90.04217	0.3
91.05460	0.3
93.07053	0.4
98.06079	0.4
100.11242	0.3
106.04147	0.5
112.11246	3.0
117.03384	25.3
118.03713	0.8
121.06464	0.4
129.13879	2.4
133.49152	0.3
134.03616	1.7
135.04396	0.9
141.56099	0.3
145.02847	70.9
146.03183	1.6
146.16550	2.1
147.04491	0.3
149.05986	7.2
152.07117	0.3
155.11819	1.6
162.03098	0.5
163.03909	1.4
172.14484	0.7
176.07086	0.7
177.05467	100.0
178.05817	3.1
186.05479	0.4
218.10423	0.3
219.08905	0.9
233.12910	0.8
234.11249	47.5
235.11581	1.7
248.12807	3.8
249.74063	0.3
251.14018	0.9
304.20309	0.8
305.18533	3.0
322.21259	14.8
323.21741	0.6
348.19244	0.9
421.46683	0.3
453.34354	0.4
463.79071	0.5
480.24667	0.8
481.23456	1.3
498.25989	76.7
499.26401	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	498.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.5
61.59960	0.2
63.02354	0.7
64.42165	0.3
69.49863	0.3
70.06593	0.4
70.13486	0.9
72.08157	6.8
75.09215	0.4
78.04711	0.4
84.08131	1.2
89.03915	7.2
91.05482	0.7
97.64742	0.2
99.48373	0.3
106.04144	0.5
112.11259	2.6
117.03380	22.3
118.03703	0.5
121.06444	0.3
129.13850	1.8
134.03618	1.7
135.04417	1.2
145.02841	71.2
146.03178	1.5
146.16499	1.3
149.05989	8.0
155.11780	1.1
163.03888	0.9
172.14479	0.8
176.07097	0.5
177.05464	100.0
178.05791	2.9
186.05551	0.5
218.10529	0.3
219.08939	0.8
233.12820	1.3
234.11247	46.7
235.11551	1.3
243.27753	0.4
248.12834	4.8
251.13902	0.6
304.20172	1.3
305.18570	3.7
322.21237	13.4
323.21588	0.7
348.19186	1.2
392.62238	0.3
413.01361	0.3
480.25064	1.0
481.23407	1.3
498.25983	78.2
499.26300	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	498.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73565	0.4
63.02368	0.5
67.05481	0.4
69.49812	0.4
69.64381	0.3
70.06582	1.5
71.27975	0.5
71.28338	0.4
72.08163	8.4
77.98156	0.4
79.05486	0.4
84.08149	1.0
85.02907	0.6
86.09702	1.2
89.03400	0.7
89.03918	6.9
91.05488	1.1
93.07041	0.8
97.02891	0.6
106.04193	0.7
107.08585	0.5
109.02901	0.5
112.11251	3.6
117.03388	23.4
118.03710	0.5
119.04977	0.5
129.13896	1.9
130.06584	0.6
134.03673	2.2
135.04431	1.1
137.06049	0.4
145.02858	73.3
146.03191	1.9
146.05945	0.5
146.16541	0.7
149.05992	7.8
153.01842	0.6
155.11787	1.5
162.03142	0.6
163.03882	3.1
172.14561	0.5
176.07062	0.5
177.05479	100.0
178.05859	2.4
186.05531	0.9
218.10312	0.4
219.08908	0.5
233.12837	0.8
234.11261	44.7
235.11595	2.0
248.12845	4.3
251.13785	1.1
304.05139	0.9
304.20267	1.4
305.18668	3.8
322.21274	12.9
323.21692	0.8
348.19235	1.0
367.14853	0.5
480.10406	0.4
480.24750	1.0
481.23398	1.8
498.17865	4.2
498.26001	84.1
499.19308	0.4
499.26389	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	498.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	2.9
55.05513	7.3
56.45139	3.9
56.53605	3.2
57.02504	2.9
57.03441	13.0
67.05515	40.3
69.03440	3.9
69.07084	5.3
71.04996	13.7
71.28303	3.7
78.25433	3.2
79.05499	10.0
81.07056	50.6
83.04959	6.4
83.08631	6.4
85.02927	4.9
85.06559	11.8
91.05490	19.6
93.07050	22.6
94.07312	3.1
95.04974	3.1
95.08622	9.0
97.02921	4.4
97.06538	8.3
105.07041	8.9
107.08617	11.4
109.10155	4.3
109.23282	3.0
116.98651	3.8
117.03397	11.9
117.07024	9.2
123.11725	8.1
124.57299	3.5
131.08553	6.7
133.10138	12.5
135.11705	8.1
145.02873	38.7
149.13274	12.2
151.11192	5.0
159.11694	30.5
161.40604	3.9
163.03885	4.1
177.05484	46.4
177.12729	29.7
179.14374	8.1
187.13307	5.3
195.13893	8.0
234.11285	20.5
243.15967	34.5
248.41559	3.2
251.16473	14.2
269.17484	100.0
301.20187	17.3
322.21268	11.0
373.14218	3.7
498.26111	40.6
499.17877	7.0
499.26169	3.9
521.17719	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	498.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.05512	11.6
57.03430	9.6
57.07072	7.5
60.04509	4.3
60.08159	2.7
61.97865	2.1
67.05509	47.9
69.07065	14.7
71.04977	4.6
71.08618	5.9
71.29688	2.5
79.05491	32.0
81.03416	2.5
81.07059	67.3
83.04982	7.0
83.08622	16.0
85.06519	3.7
85.10187	2.9
86.09702	6.8
88.04001	15.2
89.06029	3.9
91.05501	18.2
93.07050	36.8
95.04951	3.8
95.08599	17.4
97.06518	7.1
97.10195	2.5
98.98454	7.6
104.10760	6.6
105.07022	8.0
105.11143	2.2
106.05010	4.3
107.08591	23.2
109.10172	5.1
111.08094	4.5
117.07021	7.5
119.08614	2.2
121.06525	2.2
121.10157	7.3
123.11665	6.6
124.99999	3.3
131.08568	6.4
133.10147	13.5
135.11719	6.9
141.43602	2.1
149.13266	14.0
155.01030	5.2
156.44659	2.2
156.45952	1.9
159.11696	10.7
167.14427	2.3
170.42824	2.2
177.12856	4.8
182.90259	2.1
184.07358	5.5
195.13844	16.2
213.14857	4.8
234.13686	2.0
239.23636	2.3
269.17471	100.0
270.17804	3.6
313.27347	19.8
393.23886	4.5
463.30582	59.4
464.31113	2.8
498.37283	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	498.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05516	14.9
57.03434	14.8
57.07069	3.5
57.57980	2.0
58.06598	7.4
59.05011	3.3
59.07391	2.6
60.32731	2.3
62.98231	2.8
64.70070	2.3
65.09674	2.0
67.05508	64.5
69.07074	26.7
69.55868	9.1
71.04988	3.7
78.30598	2.2
79.05493	38.9
81.07060	86.4
83.04974	7.2
83.08635	16.9
85.06573	4.1
87.04482	3.5
89.06033	2.4
91.05482	22.7
93.07049	68.2
95.04997	5.6
95.08615	24.1
97.06528	11.0
97.10175	4.0
98.23289	2.8
99.08096	4.1
105.07042	8.5
106.30861	2.5
107.08587	30.5
109.06539	2.9
109.10149	3.8
111.08082	5.8
114.43456	2.2
117.07034	8.7
119.08578	3.6
121.10152	20.8
123.11681	2.8
124.93762	4.3
128.19678	2.4
131.08589	12.4
133.10162	9.5
135.11685	10.0
147.11800	2.5
149.13281	37.7
159.11697	16.5
159.73383	2.4
167.98000	5.9
177.12773	4.9
195.13780	15.3
213.14880	3.6
236.14865	22.9
269.17474	100.0
270.17914	2.6
415.54037	2.6
437.20364	19.3
463.30548	94.3
464.30807	8.6
480.36862	5.7
498.25980	13.2
498.38153	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
55.05502	10.1
57.03444	5.6
65.03947	3.4
67.05509	51.7
69.07069	17.3
69.19481	11.9
69.19883	5.1
71.04991	3.2
72.44802	2.2
79.05484	29.9
81.07058	55.3
83.04981	4.0
83.08622	12.8
85.06540	4.2
91.05476	22.7
93.07043	38.7
95.04982	5.0
95.08609	18.7
97.06519	9.8
97.68571	2.6
105.07024	11.3
107.08594	31.7
109.06532	3.6
109.10159	4.8
111.08099	5.9
117.07007	9.2
119.08575	7.0
120.96578	2.8
121.10149	14.4
123.11694	6.3
131.08568	11.0
133.10152	12.8
135.11716	5.9
143.08585	3.1
145.10104	3.5
145.38252	2.9
147.11679	3.3
149.13277	15.7
159.11703	8.5
177.12695	4.6
195.13823	19.5
198.57463	2.8
267.97729	3.8
269.14706	5.6
269.17487	75.9
270.17767	3.1
429.74158	2.6
445.29404	11.4
463.30484	100.0
464.30792	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	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.05277	1.7
55.05506	12.3
57.03436	8.2
57.07068	8.0
60.04528	2.2
60.80556	1.7
61.18497	1.7
66.61601	1.7
67.05505	44.1
68.63964	1.8
69.07072	16.6
71.04981	3.9
71.07423	1.8
71.08626	4.7
71.31010	2.0
79.05499	27.2
80.09101	2.1
81.03395	3.2
81.07056	66.4
83.04996	3.6
83.08624	16.5
84.99301	1.6
85.06506	2.6
85.10201	2.3
86.09718	4.0
88.03990	10.3
91.05483	20.4
93.07049	34.4
95.04966	2.8
95.08625	13.2
97.06535	6.7
97.10206	3.0
98.98465	6.7
104.10754	7.7
105.04517	2.0
105.07037	5.9
105.11077	2.2
106.05042	5.9
107.08591	20.8
109.10143	3.1
111.08109	4.5
117.07040	7.5
121.06519	2.1
121.10154	8.2
123.11720	6.4
131.08559	6.6
133.10126	11.2
135.11714	7.5
149.13258	13.3
155.01064	4.3
158.53786	1.8
159.11650	9.9
172.95013	1.9
177.12802	5.8
184.07307	6.9
186.07651	2.5
195.13795	18.5
269.17468	100.0
270.17859	3.7
280.64340	2.0
313.27322	19.0
314.27878	2.1
326.26584	2.8
393.24252	2.2
463.30490	55.8
464.30832	5.3
498.35791	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	498.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18805	0.6
52.73664	0.5
53.62609	0.5
55.05513	3.2
56.46717	0.6
57.07082	36.8
59.04987	0.7
67.05541	0.5
69.07063	2.2
71.08638	27.0
72.70184	0.5
73.06561	6.5
78.55204	0.6
81.07041	1.1
83.08620	3.1
85.10190	22.5
87.04470	3.4
89.06037	100.0
90.06364	1.2
91.05527	0.9
95.08614	0.8
97.10180	3.0
98.23360	1.6
99.11745	4.2
105.07066	0.6
107.07080	2.2
111.11739	0.8
113.13282	0.9
117.09145	3.3
130.08676	1.2
131.07079	1.1
133.08609	46.2
143.08534	0.6
151.09714	0.6
155.17946	4.5
169.08669	0.6
177.11230	17.8
195.12320	0.8
199.20578	3.9
210.62889	0.6
221.13892	2.1
239.14983	2.1
243.23215	7.7
268.50269	0.6
283.17548	2.4
287.25876	3.7
309.19193	0.7
327.20154	7.7
437.34448	1.2
481.37357	9.5
482.37781	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	499.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.8
55.01874	3.6
57.03448	4.3
57.03709	0.9
63.97370	0.9
67.01873	4.9
68.99809	0.9
69.03434	35.5
70.80084	1.1
71.01350	3.0
71.04994	9.1
73.02908	1.6
81.03424	39.2
85.02913	11.4
91.05457	1.3
97.02888	11.4
99.04459	14.8
99.83191	0.9
101.02367	1.3
103.05488	1.2
105.03417	2.3
107.04990	1.2
109.02888	25.5
110.03209	1.3
110.07236	1.0
117.03375	2.3
120.08105	11.1
121.06509	1.0
121.08459	3.4
123.04452	1.0
125.02368	3.8
127.03926	40.3
133.02821	4.7
135.04427	2.6
145.02849	1.8
145.04974	1.9
147.04422	2.9
151.03941	1.6
153.01807	1.6
161.02330	7.1
163.03918	11.4
165.01830	3.3
166.08638	4.6
173.02411	2.8
175.03903	1.5
177.01869	1.2
179.03435	4.9
181.01291	1.6
189.01852	17.5
191.03407	17.6
192.03764	1.9
193.01399	3.6
201.01877	4.4
203.01627	1.0
203.03387	2.8
207.02911	11.1
217.01341	44.9
218.01898	4.3
219.02881	20.1
220.03421	1.4
221.00856	7.8
223.44553	0.9
229.01344	3.4
231.02942	2.7
235.02390	44.2
236.02739	3.1
239.01921	2.7
245.00826	36.7
246.01341	2.2
247.02380	11.5
248.02792	1.1
249.03021	1.4
257.00836	1.4
259.02466	1.4
263.01859	19.0
264.02499	1.0
273.00299	28.9
274.00970	3.4
275.01831	15.8
276.02356	1.6
277.02896	1.3
287.01901	1.0
291.01273	10.8
291.03928	1.2
293.03036	1.4
300.99783	14.7
302.00223	1.4
303.01379	1.6
319.00845	31.3
320.01074	2.6
321.02069	1.1
336.13174	0.9
337.01889	35.7
337.04843	1.5
338.02322	2.1
359.03824	1.0
361.01877	1.0
379.02942	9.2
389.04913	2.6
407.06030	2.1
417.04248	1.6
435.05518	1.4
437.07239	3.0
445.04144	8.5
463.05066	28.1
464.05600	1.3
481.06152	100.0
482.06610	7.9
499.09747	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	499.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86256	0.6
65.03937	2.7
66.98303	0.6
67.05519	1.0
69.03432	1.6
69.98198	1.6
69.98593	1.5
70.06588	0.9
81.03441	1.1
82.04202	1.3
85.02910	2.9
89.56364	0.6
99.04441	0.9
110.03658	1.2
111.04440	0.9
123.04482	0.8
137.02362	1.2
137.05978	5.5
139.04001	0.7
142.02635	0.8
153.01846	4.1
157.01030	1.3
163.03912	1.2
171.06552	1.6
177.01836	1.4
177.05608	0.7
181.04967	37.6
185.04189	4.7
189.01956	1.1
203.03157	44.4
204.03560	1.1
209.04494	0.7
219.02962	0.7
221.04208	3.8
234.12392	6.5
235.02515	0.9
277.03394	0.9
319.34637	1.0
337.05319	37.5
338.05557	1.0
339.10153	0.8
383.09485	26.7
384.10068	1.5
391.70059	0.7
396.17844	1.1
447.77881	0.7
449.61392	0.7
499.10620	100.0
500.10953	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	499.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03941	1.0
55.01872	0.5
56.06895	0.2
57.03424	0.6
61.02917	0.4
68.99780	0.2
69.03094	0.2
69.03439	2.7
71.04980	0.5
71.30916	0.3
73.02934	0.3
79.01851	3.9
81.03422	7.3
82.03740	0.3
85.02908	4.0
91.05486	0.5
93.03400	0.3
96.02119	0.3
97.02892	6.3
99.04459	0.8
103.03950	1.1
107.01321	2.4
107.04988	0.2
109.02880	4.6
119.04926	0.6
123.04411	0.2
125.02353	3.3
127.03918	7.0
128.04257	0.3
133.02902	0.2
135.04428	0.7
137.05975	1.5
138.06345	0.7
139.03908	3.7
141.39005	0.2
143.03403	5.6
145.04971	0.8
147.04414	0.4
150.33409	0.2
151.03917	0.5
151.07631	0.4
153.01836	100.0
153.02863	4.9
154.02170	2.4
154.03288	0.3
160.00601	0.2
163.03909	2.7
167.03381	1.4
171.02887	10.4
175.03885	0.5
177.01802	0.4
177.05486	0.8
178.43469	0.3
181.04947	2.0
181.08606	0.7
182.08972	0.4
185.04474	1.0
191.03348	1.3
195.02937	0.6
201.05499	0.8
203.03383	0.3
205.04997	1.6
208.87384	0.3
209.04471	1.7
213.03940	0.8
219.02872	0.4
227.05525	0.8
229.04984	1.2
233.04486	1.0
237.03976	0.5
247.06059	1.4
251.05598	0.4
255.04990	1.8
257.04425	1.0
265.07013	0.4
275.05444	1.2
293.06628	0.4
297.06097	7.1
300.23404	0.2
315.07108	3.7
330.14203	0.4
356.26559	0.2
437.14270	0.3
465.06619	0.3
499.14371	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	499.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.5
69.03426	1.6
69.19297	3.4
70.06605	0.6
76.03886	0.5
80.76702	0.5
85.02919	1.4
95.04939	0.5
97.02872	0.6
111.04437	0.5
112.11180	0.6
121.02928	0.6
123.04446	3.0
135.04433	0.9
137.02364	3.1
137.03275	0.5
137.05998	0.6
149.02409	1.8
153.01822	3.9
155.03368	0.7
163.03917	1.3
166.51808	0.5
167.03421	0.9
175.03728	1.1
177.01831	3.5
181.05191	0.6
185.04251	0.7
189.01868	1.1
195.02940	1.7
203.05344	1.4
205.04939	0.6
208.68767	0.5
233.04402	0.5
259.07928	0.9
311.05246	0.9
326.05453	0.7
347.09534	13.5
348.09351	0.5
354.23953	0.5
499.14221	100.0
500.14737	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	499.1812
Annotation	Globulusin B
Peak:m/z	Relative Intensity
66.87390	2.5
68.49031	2.8
69.34398	15.8
70.06596	9.8
76.69916	2.5
79.05481	3.1
81.03406	5.0
81.07046	2.8
85.02913	3.5
86.56666	2.3
91.05473	6.9
93.07053	20.3
95.04973	3.1
95.08598	4.0
98.23373	3.1
103.34502	2.6
109.02875	3.1
109.10157	9.1
119.08598	4.9
120.08128	8.3
121.10177	15.6
136.07607	5.7
139.03853	2.9
139.11165	6.5
145.02831	2.9
146.03108	2.7
149.09639	19.3
153.01846	3.3
155.10722	3.1
167.10686	4.6
177.05434	5.2
182.40977	2.9
213.12344	4.4
310.17612	7.2
341.67688	3.3
437.21490	13.0
439.19107	4.2
456.87192	3.3
499.21381	100.0
499.28143	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	499.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03952	0.9
53.31599	0.6
55.01882	0.8
67.05495	2.1
68.99803	0.7
69.03423	0.6
69.16060	3.8
77.03960	1.2
79.05483	1.7
81.07080	1.1
84.47249	0.6
91.05480	1.7
93.07047	2.2
95.04975	1.9
105.03368	1.5
105.07019	2.0
107.08601	3.8
111.04472	1.4
116.06338	0.5
116.10570	0.5
119.08562	0.9
121.06483	0.7
121.10127	1.4
123.04430	100.0
124.04793	1.8
135.04411	0.5
139.03900	50.2
140.04239	1.0
145.10104	1.4
147.04431	2.7
151.03915	7.2
163.03922	1.0
163.07491	0.7
163.11214	1.3
165.05487	0.6
177.05569	0.7
189.05563	0.7
191.10648	1.0
254.22935	0.6
273.07581	11.0
307.27390	0.6
481.28421	0.6
495.69901	0.6
499.29218	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	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.05523	31.2
55.05751	6.6
57.03434	26.9
57.07071	11.0
61.02929	51.8
62.91598	5.1
64.30329	4.3
65.03940	5.6
67.05511	89.1
69.03436	46.8
69.07078	39.5
69.73132	22.4
71.01372	6.0
71.04980	7.9
71.08618	5.2
73.02919	26.3
79.05503	30.7
81.03426	25.3
81.07060	100.0
83.04973	9.0
83.08625	23.5
85.02506	5.2
85.02920	61.2
85.06558	6.6
91.03946	33.2
91.05489	31.2
93.07049	42.7
95.04948	6.2
95.08611	76.6
97.02907	51.1
97.06539	12.0
97.10165	11.0
99.04467	8.5
99.08096	5.1
101.02360	9.3
103.03935	9.7
105.07022	20.7
107.04997	4.8
107.08607	22.8
109.02869	9.6
109.10141	32.3
111.04458	5.7
115.03907	6.3
119.08561	14.2
121.06477	5.2
121.10174	21.9
123.11702	15.3
127.03941	17.6
129.05415	6.2
131.08563	11.1
133.10130	19.7
135.11626	7.8
143.08691	4.8
145.04936	7.4
145.10178	8.9
147.11676	15.6
149.13248	10.7
151.11247	4.8
159.11736	4.7
161.13293	10.4
163.14818	7.6
179.09236	4.4
194.14946	5.3
245.22858	5.1
257.24667	4.4
263.23758	15.1
279.40366	5.0
337.27390	70.2
338.27835	7.8
371.25766	9.4
490.43265	4.8
499.32892	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
69.03435	11.1
69.99755	1.2
70.06593	2.7
70.57511	3.7
81.03426	5.8
85.02901	5.4
88.10522	1.3
97.02906	2.0
99.04462	1.9
109.02863	1.3
121.06472	1.7
123.04427	6.2
127.03934	2.0
131.04913	2.2
147.04431	1.9
157.06618	1.5
161.06006	2.3
173.06056	2.1
175.03909	2.0
175.11893	4.6
187.03909	3.1
189.05467	1.7
203.03400	3.8
203.07043	1.4
215.03464	3.5
217.04895	2.5
229.05074	2.0
231.02888	17.5
231.06511	2.3
235.06021	1.6
241.01338	2.8
245.04631	1.9
253.05475	3.7
254.05681	5.9
259.02396	25.9
260.02682	1.4
264.12189	1.4
268.00256	1.4
269.14520	2.6
270.14832	6.5
277.03442	100.0
278.03775	5.3
292.08411	1.4
303.01355	12.5
309.06088	4.5
312.16785	1.4
321.02304	2.5
338.08618	5.9
371.19827	2.2
372.20316	9.0
410.15656	10.1
411.14050	1.2
428.15860	1.9
465.06744	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	500.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
65.03944	7.9
69.03445	1.2
70.06590	3.2
70.68885	1.9
81.03431	3.6
85.02913	4.0
90.38580	1.1
93.03407	15.9
97.02881	1.8
109.02895	2.9
111.04441	28.2
127.03931	2.0
137.02351	100.0
137.03430	6.7
139.03908	52.2
139.04994	1.9
140.04205	1.3
155.03397	80.2
156.03764	2.1
167.03404	67.3
168.03865	1.3
173.61475	1.1
180.08592	1.3
375.85135	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	500.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86107	4.4
54.34573	3.2
55.01873	4.8
68.80667	3.1
69.03422	15.3
70.04877	13.4
70.06592	7.4
81.03427	24.7
85.02911	10.5
91.05479	4.5
97.02898	13.8
99.04494	6.0
109.02906	7.2
111.04483	6.6
121.06524	8.7
127.03922	22.2
137.02370	28.5
139.03918	14.1
141.33015	3.3
143.03381	3.7
147.04408	13.7
151.03978	4.3
153.01839	100.0
153.02936	4.9
155.03389	11.3
159.04436	4.1
163.03944	5.2
167.03458	8.5
171.02917	10.9
175.03882	10.7
177.01788	4.2
177.05511	9.6
191.03394	8.9
203.03413	34.9
205.04903	4.7
219.02946	15.2
221.00839	12.7
221.04411	26.1
226.53940	4.0
231.02861	19.5
233.04239	3.8
247.02423	15.7
249.03981	20.1
265.03601	6.0
275.01862	14.2
285.07748	5.2
293.03030	8.6
297.06143	8.9
303.08752	4.7
315.07086	6.5
321.02408	57.3
332.56436	3.9
339.03510	38.8
348.09921	8.4
398.06894	3.9
465.06573	23.5
500.14679	79.3
501.15298	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	500.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86107	4.4
54.34573	3.2
55.01873	4.8
68.80667	3.1
69.03422	15.3
70.04877	13.4
70.06592	7.4
81.03427	24.7
85.02911	10.5
91.05479	4.5
97.02898	13.8
99.04494	6.0
109.02906	7.2
111.04483	6.6
121.06524	8.7
127.03922	22.2
137.02370	28.5
139.03918	14.1
141.33015	3.3
143.03381	3.7
147.04408	13.7
151.03978	4.3
153.01839	100.0
153.02936	4.9
155.03389	11.3
159.04436	4.1
163.03944	5.2
167.03458	8.5
171.02917	10.9
175.03882	10.7
177.01788	4.2
177.05511	9.6
191.03394	8.9
203.03413	34.9
205.04903	4.7
219.02946	15.2
221.00839	12.7
221.04411	26.1
226.53940	4.0
231.02861	19.5
233.04239	3.8
247.02423	15.7
249.03981	20.1
265.03601	6.0
275.01862	14.2
285.07748	5.2
293.03030	8.6
297.06143	8.9
303.08752	4.7
315.07086	6.5
321.02408	57.3
332.56436	3.9
339.03510	38.8
348.09921	8.4
398.06894	3.9
465.06573	23.5
500.14679	79.3
501.15298	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	500.1895
Annotation	Chrotacumine C
Peak:m/z	Relative Intensity
60.24781	0.3
63.12328	0.4
64.04530	0.4
69.01673	0.9
69.02075	2.2
70.06581	0.5
79.05548	0.5
83.85336	0.4
88.22370	0.5
93.07048	1.0
95.04967	0.4
101.71755	0.4
121.06575	0.5
121.10202	0.8
121.58071	0.3
123.78238	0.4
275.02051	0.5
333.13248	0.6
350.58859	0.4
351.14175	1.3
369.15213	1.6
414.21866	0.4
500.18945	100.0
501.19223	7.5
501.30545	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	500.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26320	1.0
53.03946	7.3
53.79560	1.1
55.01877	9.5
55.05526	1.0
57.03441	7.4
61.02935	7.6
67.05513	2.7
68.99793	3.7
69.03430	34.6
69.07095	5.2
69.94689	2.0
69.95078	1.9
71.05002	3.6
73.02917	7.5
81.03421	30.4
81.07070	2.2
83.01337	1.3
84.50622	0.9
85.02908	100.0
87.00835	33.5
87.04450	1.4
87.14024	1.0
91.03960	2.3
91.05511	1.2
93.07059	1.9
95.04985	1.3
95.08609	3.5
95.36749	1.1
97.02899	30.6
99.04460	15.8
103.03915	1.7
105.01873	28.9
105.07022	1.8
107.08554	1.1
108.04479	7.8
109.02882	34.5
109.06560	1.3
110.32131	0.9
111.04520	1.7
111.11708	1.5
115.03936	2.0
115.06871	0.9
117.01878	4.0
121.06593	1.1
123.08073	3.0
126.05526	3.0
127.03922	70.7
129.01840	4.8
137.05980	34.6
145.03868	2.3
145.04967	27.2
146.05443	1.4
147.02901	4.7
151.07549	57.2
152.07933	1.6
159.02899	20.2
161.05948	2.1
163.07547	2.0
165.09157	3.8
175.07532	5.5
177.03947	1.9
177.09103	5.1
179.10663	1.7
189.03972	3.4
189.09071	2.4
191.10686	2.1
213.03992	2.7
230.06686	2.4
231.05006	15.7
235.16920	9.0
248.07681	3.6
249.06183	1.9
255.97171	1.0
259.16992	2.7
263.60431	1.4
266.08929	1.3
285.52148	1.0
301.17984	2.0
325.18011	3.8
343.18909	2.2
500.29312	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	500.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01876	11.2
55.05512	1.2
57.03433	6.9
59.54671	0.7
61.02934	7.5
67.05506	1.1
68.99802	4.7
69.03435	36.3
69.07079	4.4
70.03767	1.1
70.36106	0.8
71.01356	0.9
71.05003	3.9
73.02582	1.0
73.02908	5.9
79.05506	1.4
81.03427	32.2
83.01354	1.2
85.02911	100.0
86.03256	1.4
87.00304	1.8
87.00837	36.0
91.03976	1.7
91.05464	1.0
93.07056	1.1
95.04977	1.5
95.08628	3.0
97.02901	30.5
99.04465	15.1
101.02390	1.0
103.03958	2.3
103.66323	0.9
105.01180	1.8
105.01876	30.4
105.07024	2.0
107.08613	1.4
108.04478	7.8
109.02887	32.6
109.06551	1.2
111.04477	1.3
115.03924	1.2
117.01882	4.8
121.06512	1.1
123.08109	3.2
126.05526	4.3
127.03924	66.9
128.04268	1.8
129.01830	4.4
135.08084	1.0
137.05986	29.8
145.04973	28.9
147.02922	3.6
151.07550	44.8
152.07916	1.4
159.02888	18.6
161.05960	1.3
161.09616	1.0
163.07532	1.0
164.56323	0.9
165.09157	3.6
175.07579	4.2
175.11237	1.1
177.03987	1.0
177.09189	4.2
179.10753	1.0
189.03960	3.6
189.09131	1.3
191.10594	1.9
212.05550	1.1
213.03928	3.0
230.06667	3.0
231.04996	16.6
233.15369	1.6
235.16913	7.0
248.07693	3.7
249.06050	1.5
259.16931	1.5
259.32907	0.9
262.18192	0.9
301.18109	1.2
325.18021	3.3
343.18961	1.7
352.13324	1.1
386.62085	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	500.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16612	4.2
55.01884	6.6
55.05509	29.3
57.03440	36.8
65.80551	4.8
67.05508	75.2
69.07065	15.4
69.74764	19.3
71.04993	7.2
79.05499	72.2
81.03425	87.9
81.07061	60.3
83.04992	27.7
83.08626	30.2
85.02917	19.6
85.06563	7.0
91.05486	74.7
93.07047	62.4
93.73891	4.6
95.04974	35.6
95.08607	23.5
97.06525	15.4
97.10185	9.5
105.07029	38.7
107.04986	9.5
107.08601	34.1
109.06528	9.8
109.10187	11.4
111.04422	4.4
111.08108	11.7
117.07015	13.5
119.08581	34.4
121.06540	6.6
121.10158	15.0
122.17135	4.0
129.06999	14.8
130.05295	5.0
131.08563	15.5
133.10124	18.8
135.11699	58.5
142.07750	6.6
145.10126	13.5
147.08018	4.7
147.11681	14.4
149.09641	6.9
151.60454	4.9
151.61792	4.0
156.09286	4.4
157.10129	18.2
163.11215	13.1
175.11224	14.1
181.12242	17.9
193.12254	72.0
211.13303	92.3
255.15955	100.0
267.15811	26.8
285.17020	53.2
327.36792	4.6
357.18002	4.4
447.27292	35.3
465.28485	75.5
466.28662	6.0
500.30774	8.6
501.32312	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	500.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44992	5.1
55.01863	4.8
55.05510	12.6
59.04997	6.8
63.94635	4.8
67.05504	15.9
68.50153	5.5
69.07064	14.8
70.06589	6.2
79.05491	12.4
81.07050	24.0
82.57017	5.5
83.08615	7.2
85.02894	13.5
91.05483	15.2
93.07040	29.2
93.67352	5.4
95.08609	50.6
97.10172	7.0
105.07021	20.9
107.08614	36.6
109.10163	32.0
119.08579	42.6
121.10133	35.2
123.11692	13.0
131.08606	7.9
133.10123	19.0
135.11662	25.9
137.09711	6.6
143.08539	6.3
145.10118	16.7
147.11679	24.9
149.13254	11.5
155.10648	5.7
157.10202	7.4
159.11691	21.4
161.13261	21.3
163.14832	18.7
164.23926	6.6
173.13243	15.0
184.85985	5.6
187.14879	15.2
191.17928	9.4
193.12227	9.5
203.17952	15.7
207.13840	11.2
243.21167	7.6
247.16966	8.6
257.22668	19.7
285.22122	21.6
303.23203	100.0
358.83664	5.7
405.71234	8.0
439.06531	5.5
484.44376	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	500.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32323	4.5
55.05510	11.0
59.04993	17.1
65.07365	5.1
67.05505	17.3
69.07053	13.9
70.85586	10.4
78.43813	4.5
79.05514	10.6
81.07055	20.0
85.02883	8.4
91.05483	11.4
93.07046	18.7
95.04973	6.5
95.08615	43.7
97.85548	4.6
105.07049	21.2
107.08604	38.1
109.10184	26.3
117.09135	6.3
119.08582	24.9
121.10162	25.2
121.10909	5.0
123.11714	16.7
127.03873	5.2
131.08559	8.1
133.10127	19.3
135.11684	27.6
137.13290	5.3
139.58575	4.0
139.59915	5.7
145.10165	12.6
147.11697	17.5
149.13277	9.3
149.90132	4.6
159.11734	10.8
161.13309	22.4
163.14737	4.6
173.13237	11.9
175.14861	6.9
187.14874	10.5
201.16412	10.2
203.17937	21.3
207.13814	12.7
233.15300	9.9
257.22620	32.2
275.23785	11.9
285.19351	5.2
285.21985	25.6
303.23193	100.0
304.23621	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	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.4
57.03437	6.4
58.06598	27.3
59.07382	8.8
60.08166	8.5
61.88266	0.6
67.05479	2.6
69.07043	2.6
69.18742	4.1
73.02890	0.9
75.04477	4.2
79.05474	1.0
81.07044	1.9
82.97726	0.6
83.08582	2.2
85.02879	2.1
87.04455	5.1
93.07020	1.0
95.08580	1.7
97.10154	0.8
105.05499	1.1
109.10155	0.7
127.51521	0.5
131.07025	2.3
144.10187	7.3
146.72809	0.6
149.58836	0.6
162.11243	5.5
222.45427	0.6
236.14920	100.0
237.15227	2.5
302.05466	0.6
325.03162	1.3
390.18283	0.6
482.38406	22.4
483.38821	1.0
500.39444	68.3
501.40091	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	501.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.1
53.53392	1.2
55.01871	9.1
57.03425	3.5
67.01868	1.7
68.81891	1.4
69.03434	52.1
71.04986	7.3
75.92493	1.5
79.05491	1.8
81.03423	53.1
84.38820	1.4
85.02903	15.8
89.07623	1.4
91.05498	2.7
94.19877	1.3
97.02892	14.2
99.04449	9.5
101.02394	2.9
109.02891	22.5
117.03376	2.0
119.04955	2.8
127.03918	35.7
128.04269	1.3
129.82326	1.5
133.02856	1.5
135.04387	3.9
137.02341	3.8
145.02859	2.3
145.04967	2.2
147.04376	11.9
149.02374	2.4
157.02826	2.7
163.03922	18.0
165.01820	8.4
165.05444	2.4
173.02438	2.9
175.00363	1.8
175.03941	9.9
177.01834	7.4
179.03326	4.0
181.01317	5.5
183.02827	1.7
190.02562	1.7
191.03397	51.0
192.03664	2.3
193.01338	16.4
193.04950	3.5
195.02965	3.4
201.01904	3.9
203.03380	19.6
205.01384	8.4
205.04915	2.5
207.02823	3.5
208.24463	1.4
211.02350	2.2
213.01910	1.9
215.03445	2.3
219.02895	58.7
220.03201	2.9
221.00813	91.5
221.04427	5.7
222.01114	3.3
223.02371	6.3
229.01233	2.4
231.02892	21.7
233.00806	22.8
239.01878	32.7
247.02385	51.1
248.02777	2.3
249.03935	5.2
257.00787	6.2
259.02362	21.6
265.03558	8.7
275.01871	84.8
276.02206	5.3
277.03424	23.9
293.02884	22.3
303.01358	24.8
309.86374	1.7
321.02380	23.2
322.02838	3.1
339.03476	100.0
340.03732	5.4
365.05170	1.9
376.75787	1.6
419.05966	3.2
437.07156	4.3
447.05359	2.9
465.06540	15.0
483.07687	77.8
484.07922	6.6
501.08762	32.6
502.09058	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	501.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.1
53.76960	1.1
55.01881	9.4
57.03427	3.9
61.03986	1.1
65.23343	1.0
67.01860	2.1
68.37700	1.2
69.03432	34.3
71.01340	1.9
71.05002	7.0
73.02933	1.3
79.05508	1.1
81.03420	30.2
82.03757	1.2
85.02914	15.1
87.11544	1.1
91.05528	1.1
97.02911	12.6
99.04467	14.6
101.02388	4.2
107.04937	2.2
109.02882	17.7
117.05487	1.1
119.04962	2.3
121.06498	1.4
127.03916	26.8
128.03151	1.2
131.04883	1.2
135.04402	2.1
137.02332	3.3
139.03893	1.9
145.02847	1.9
145.04932	2.6
147.04411	9.5
149.02316	1.5
153.01872	2.1
157.02864	1.2
159.04420	1.1
163.03914	16.7
165.01828	9.6
165.05493	1.6
173.02341	1.8
175.00287	2.1
175.03899	10.0
177.01877	4.8
179.03426	4.1
181.01314	5.2
183.02945	1.5
185.02345	1.9
187.03975	2.0
191.03409	43.7
192.00558	1.6
192.03902	1.4
193.01360	16.5
193.05016	4.3
195.02983	1.2
201.01834	3.4
203.03392	24.5
203.05096	1.8
204.03746	1.3
205.01323	9.3
205.04971	2.0
207.02911	2.8
209.00919	1.3
213.01956	1.5
219.02893	56.3
220.03288	2.9
221.00827	94.7
221.04491	5.6
222.01170	4.1
223.02409	4.2
229.01318	4.1
231.02869	17.8
233.00804	16.2
235.02467	1.6
237.04057	1.6
239.01872	27.6
247.02379	42.7
248.02892	2.6
249.03961	6.2
257.00790	6.5
259.02393	13.6
265.03406	9.6
275.01868	68.6
276.02277	3.9
277.03433	16.4
283.92828	1.2
285.00385	2.3
293.02927	16.6
303.01395	16.8
311.04114	2.0
321.02451	18.7
338.27396	1.2
339.03491	35.6
340.03867	2.2
365.05032	2.3
381.04654	1.6
419.06140	2.1
423.05649	1.6
437.07141	3.6
447.05603	1.5
465.06631	8.1
483.07709	100.0
484.08096	8.1
501.08759	49.7
502.09091	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	501.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03949	9.7
55.01873	7.4
57.03442	3.0
67.01870	3.0
69.03087	2.3
69.03438	29.5
69.66078	4.5
70.06585	1.3
71.01365	2.3
71.04990	4.9
73.02917	1.9
79.05502	3.0
81.03425	34.9
81.18221	1.4
85.02907	12.1
88.01451	1.5
91.05494	1.5
97.02906	10.0
99.04461	14.3
101.02402	3.2
102.65244	1.4
105.07037	69.7
109.02883	23.8
112.84817	1.4
117.03367	2.1
117.05491	3.3
119.04992	2.4
122.09673	40.2
123.10095	2.5
125.02437	1.9
127.03929	25.1
135.04398	2.2
137.02361	3.8
138.72427	1.4
139.03886	2.4
145.02826	1.8
147.04425	8.7
153.01831	15.8
157.02905	2.2
161.02383	1.5
163.03920	16.6
165.01898	8.1
173.02296	1.7
175.00258	2.1
175.03908	6.5
177.01894	6.8
177.05521	3.8
177.50917	1.3
179.03438	3.2
181.01387	4.4
183.02846	1.4
187.03975	2.6
191.03415	37.4
192.03777	2.9
193.01387	14.9
193.05002	3.7
194.97896	1.6
201.01776	1.7
203.03389	23.2
203.23056	1.6
205.01299	7.3
207.02887	2.3
215.03381	1.6
217.01411	1.9
219.02898	49.2
220.03218	2.1
221.00830	97.3
221.04285	2.8
222.01213	3.7
223.02394	4.0
229.01289	2.2
231.02921	16.8
233.00816	15.5
235.02434	3.3
237.03920	2.3
239.01889	26.5
247.02383	42.9
248.02840	2.4
249.03979	7.6
251.81354	1.4
257.00793	5.2
259.02332	12.9
265.03403	8.0
275.01865	58.7
276.02267	3.5
277.03445	17.7
293.02921	21.9
303.01337	20.2
311.03915	1.8
321.02429	21.2
338.99295	1.7
339.03442	33.0
340.03958	2.5
365.04810	2.9
437.07016	4.2
465.06635	12.8
483.07684	100.0
484.07953	6.3
501.08755	36.9
502.08838	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	501.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	3.0
69.17289	9.4
70.06594	2.5
81.03419	2.0
83.61264	1.3
89.03949	1.2
91.10218	1.3
127.03918	1.7
135.02554	1.4
138.81744	1.3
142.08795	1.3
153.01805	7.3
187.05811	1.5
191.03413	2.0
204.88947	7.9
219.02878	1.6
221.00957	2.7
247.02397	1.4
270.94479	1.7
275.01840	2.9
308.89993	1.9
339.06717	2.2
358.93741	1.5
439.10065	1.5
483.07681	5.4
501.10025	100.0
502.10394	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	501.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
51.02378	0.6
52.18110	0.2
53.03953	2.4
55.01874	0.2
58.93501	0.2
65.03936	0.3
70.57064	0.3
70.57381	0.3
77.03923	0.6
79.05486	0.3
81.03421	0.4
90.38834	0.2
91.05486	9.9
93.07050	14.6
94.07413	0.2
95.04983	3.3
101.03840	0.2
103.05476	11.4
105.04522	1.6
107.94305	0.2
112.26859	0.2
121.06513	100.0
122.06844	1.6
167.30341	0.2
189.09946	0.2
201.05505	0.9
226.04985	3.6
229.03719	1.2
243.06581	0.5
244.06075	15.0
245.06409	0.5
256.05963	0.5
262.14862	0.2
268.23843	0.2
270.07733	1.0
321.19141	0.3
364.11807	48.7
365.12158	2.7
501.17181	0.3
501.23593	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	501.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.2
69.03431	0.7
70.13210	1.1
73.94383	0.5
76.16180	0.4
79.05490	1.0
81.03436	1.0
81.07055	1.3
91.05469	1.4
91.51687	0.4
93.07043	0.9
95.04959	0.9
95.08614	0.6
97.10144	0.8
98.22674	0.6
105.07042	0.9
107.08577	0.6
117.07075	0.5
119.08593	0.9
121.06543	0.7
121.10110	0.5
131.08562	0.8
133.10109	0.5
135.08138	0.5
165.85736	0.5
167.26045	0.4
177.05476	0.9
217.87801	0.4
243.73006	0.4
329.08218	0.7
347.09311	0.5
357.18835	5.3
399.19650	1.1
409.23657	0.5
439.23080	9.6
440.23056	0.5
441.20978	8.3
442.21646	0.7
476.04694	0.5
501.23050	100.0
501.28998	4.3
502.23553	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	501.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	15.6
71.30334	17.3
71.30686	11.9
79.05499	23.6
81.07042	19.8
82.96079	10.0
93.07051	15.9
105.07059	13.2
120.96668	16.6
178.52742	12.4
196.25493	11.3
223.32736	13.0
287.14935	12.0
325.03119	21.8
359.23071	10.7
449.97726	11.1
501.27701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04399	1.9
53.03943	2.8
55.01868	6.3
55.05514	63.1
55.22655	2.2
57.03437	37.2
57.07079	59.6
65.03938	2.8
66.79145	2.0
67.05508	80.5
69.06220	9.9
69.06660	8.1
69.07072	94.3
71.05003	2.9
71.08633	45.9
73.06565	2.6
75.04112	2.0
75.04479	14.6
79.05492	31.0
81.07062	100.0
83.04971	8.2
83.08622	73.7
85.06534	4.4
85.10188	23.9
91.05476	7.2
93.07050	42.2
93.94912	2.3
95.08609	92.4
97.06527	20.3
97.10172	46.4
99.08073	3.7
105.07024	4.3
107.07958	2.6
107.08600	25.3
109.10160	46.9
111.08099	13.8
111.11721	12.3
113.06033	5.0
115.07566	6.9
119.08647	2.1
119.68636	2.1
121.10143	41.0
123.11693	20.5
125.09615	12.1
125.13245	2.8
129.09044	2.2
131.07036	6.9
131.08606	3.1
133.10112	3.6
135.11700	31.0
137.13252	9.9
139.11214	10.6
143.14287	1.9
149.13240	17.6
151.14754	2.8
153.12750	7.7
154.07300	2.2
157.12199	2.5
163.14812	10.6
167.14299	6.5
171.13864	3.3
177.16405	3.8
181.15877	6.4
185.15373	3.6
191.17961	3.8
195.00356	4.6
195.17363	3.9
199.16969	2.9
205.19530	3.6
206.12634	2.0
207.77422	1.9
213.18546	2.7
217.19536	3.9
223.20570	3.2
235.20654	3.0
265.25302	3.1
289.28992	11.3
299.27280	3.4
307.29947	17.1
317.28439	14.6
335.29446	37.6
336.29544	3.5
353.30557	5.1
371.31586	81.6
372.31976	5.8
409.33109	55.2
410.33685	2.2
427.34207	74.0
428.34302	6.4
431.26877	2.7
483.36911	24.5
501.37933	48.5
502.38150	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	502.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
69.03439	4.9
70.06586	4.1
70.47371	1.1
71.29228	1.2
72.08151	4.1
79.01854	3.3
81.03423	9.3
84.04498	1.7
84.08145	5.3
84.80872	1.1
85.02905	2.3
86.09721	6.4
90.44479	1.0
97.02881	6.6
107.01349	1.7
109.02896	4.8
125.02357	3.8
127.03922	6.6
129.10234	4.1
143.03392	4.9
145.04990	1.3
153.01828	100.0
153.02824	4.5
154.02164	1.6
167.04063	1.0
171.02864	15.6
227.14638	1.1
235.32896	1.1
297.06046	12.4
315.06989	8.2
345.55255	1.0
375.14136	1.1
413.11243	1.2
502.22986	1.5
502.32214	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	502.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.2
53.03941	1.8
65.43535	1.2
68.55573	1.4
69.03436	5.0
70.62182	1.4
70.62497	2.5
77.31042	1.3
79.01854	4.4
81.03422	3.1
85.02909	2.3
93.44694	1.4
99.04454	1.5
105.07036	37.9
109.02865	1.8
121.06522	1.6
122.09672	16.7
125.02324	2.3
127.03911	3.0
143.03406	3.7
145.02823	1.4
151.35417	1.5
153.01837	100.0
153.02902	5.7
154.02176	1.4
177.05539	2.6
192.03775	3.2
193.88794	1.5
204.03700	1.4
219.02959	3.1
220.03226	1.3
221.00813	2.7
222.01181	4.3
237.03931	1.7
248.02824	2.3
254.97104	1.6
275.01822	2.7
276.02371	3.1
278.03857	2.0
297.06223	2.0
340.03857	3.1
344.30145	1.3
443.32639	1.3
449.07117	5.3
467.08258	5.0
484.07736	8.4
502.09158	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	502.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59868	0.9
52.11156	1.1
54.19031	0.9
56.21492	1.0
69.03419	2.7
79.01843	3.1
80.36637	0.9
81.03424	8.3
85.02918	3.6
88.90662	1.0
92.36214	0.9
97.02907	7.0
98.22549	2.0
99.04448	1.1
102.39705	1.0
106.81131	1.1
107.01347	1.5
108.04510	1.5
109.02895	5.0
125.02366	2.9
127.03942	7.7
127.04742	1.4
143.03384	4.8
153.01840	100.0
153.02902	4.4
154.02115	2.1
162.73572	1.1
171.02924	13.4
253.18434	1.2
297.06067	11.1
315.07114	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	502.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01910	1.1
53.03943	1.5
69.03440	5.2
70.06608	2.3
70.40189	1.1
71.28160	1.6
72.08168	1.7
79.01859	4.4
81.03427	10.9
81.43229	1.2
85.02918	4.0
97.02892	6.4
99.04456	1.2
109.02880	5.6
114.86798	1.2
121.06492	2.0
125.02389	3.0
126.59834	1.2
127.03934	8.8
143.03410	4.7
145.02907	1.9
153.01840	100.0
153.02777	4.9
154.02214	2.1
163.03918	5.0
169.13329	1.4
171.02904	12.8
177.05453	1.8
297.06085	12.4
315.07141	7.5
355.96255	1.3
441.43738	1.3
484.24347	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	502.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95893	6.7
55.65266	6.3
62.94677	6.7
66.48280	6.5
71.30574	7.5
81.03446	8.7
93.17120	6.0
95.10218	6.7
97.02894	13.1
121.06505	14.1
124.18238	5.8
125.38083	5.6
126.01559	5.1
127.03928	9.8
130.30444	6.1
153.01859	100.0
158.15393	7.3
171.03009	8.5
266.99509	6.3
297.06009	8.5
372.64914	6.2
397.31296	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	502.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
58.96801	0.9
61.22751	0.9
65.08535	0.8
65.08974	0.8
69.03432	3.5
69.37678	6.0
70.06586	2.1
71.54825	0.8
72.08163	3.0
79.01866	2.5
81.03423	6.9
84.04479	1.4
84.08153	2.6
85.02915	3.8
86.09718	4.3
97.02896	6.8
99.04446	1.3
102.05551	1.9
102.37676	1.0
106.98179	0.9
107.01350	2.0
109.02882	5.4
125.02364	3.6
127.03914	7.9
129.10257	2.0
143.03383	4.9
145.04999	1.0
153.01831	100.0
161.46066	0.9
171.02885	12.0
262.49292	0.9
297.02948	1.6
297.05994	9.3
315.07034	7.0
409.82513	0.9
502.32480	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	502.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00769	4.0
61.69527	4.3
69.54265	22.6
70.06571	4.9
81.03400	5.8
84.08155	4.8
86.09712	9.3
97.02887	8.4
109.57584	4.2
111.04423	5.6
117.03423	3.8
125.02367	4.8
127.03916	5.1
139.03886	8.4
143.03387	4.7
145.02844	11.1
147.07671	4.0
153.01833	100.0
163.03934	12.8
171.02919	11.9
172.99358	3.9
177.05431	15.1
182.84804	3.8
203.77866	5.1
220.09741	5.2
297.06024	8.0
315.07297	5.4
484.24335	17.8
502.25641	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.5
63.61125	1.1
65.03918	2.0
67.05505	19.8
69.03439	5.1
69.07093	1.2
70.55602	1.7
70.55920	1.4
71.04999	1.4
78.10349	1.0
79.05503	2.7
81.03421	16.2
81.07059	9.7
82.03776	1.1
85.02913	4.4
86.09710	1.6
91.05492	5.0
91.17585	1.1
93.04943	1.2
93.07041	5.4
95.04990	3.4
95.08607	8.2
97.02902	4.4
99.04459	2.1
105.07057	1.6
107.08603	1.9
108.04533	1.9
109.02880	16.3
109.06536	2.5
109.10155	36.9
119.08585	8.7
123.04388	1.9
127.03915	7.2
135.08063	1.9
135.55138	1.2
137.09619	100.0
138.09927	1.6
147.08054	2.9
153.01874	2.0
155.10657	8.7
165.01843	1.3
165.09123	90.5
166.09482	2.1
172.81615	1.3
183.10172	11.4
196.73044	1.3
201.11208	11.0
225.11119	1.2
231.06575	4.2
247.02484	1.7
249.07642	2.4
286.44772	1.1
291.12302	4.8
309.13348	35.1
309.17014	1.8
310.13614	1.4
327.14432	16.1
438.25604	1.2
459.81329	1.1
474.98941	1.4
502.23227	2.6
503.24988	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	502.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	9.9
69.03431	12.2
69.07057	7.0
79.05484	21.5
81.03410	14.5
81.07052	13.1
82.54163	5.3
84.64405	4.8
85.02900	9.9
88.02211	4.9
91.05482	22.1
93.07059	96.7
95.04979	10.1
95.08665	7.5
97.02908	7.3
105.07029	12.2
107.08640	16.0
109.02874	5.7
111.08096	6.4
116.05386	7.7
119.04997	6.4
119.08580	10.5
121.06492	9.5
121.10149	70.6
123.04430	6.3
127.03932	6.8
137.05977	11.5
149.09584	17.0
153.01872	38.7
153.12759	11.1
167.10658	18.2
169.04980	42.5
193.05006	12.4
201.05563	13.2
311.14645	6.3
360.12491	6.1
378.09610	11.5
425.12268	5.8
502.10437	100.0
502.17911	22.0
503.10260	11.1
503.24393	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	502.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99918	9.7
57.03422	15.1
57.07069	36.0
60.27013	8.5
64.69276	7.8
64.87830	8.2
67.05511	100.0
69.07053	7.9
71.08630	32.7
79.06816	10.4
81.07063	31.2
85.10194	14.2
87.63622	8.5
91.05838	9.5
93.07072	11.9
95.08605	18.2
98.22556	18.2
99.52896	9.1
109.10155	83.8
137.36833	10.0
155.10728	9.6
167.05627	10.6
168.84055	7.4
173.11664	17.2
194.05490	8.3
208.75229	8.1
229.14366	61.1
313.27408	68.6
436.86496	8.7
467.37387	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08169	1.7
55.05511	10.9
57.03434	14.1
57.07079	24.5
59.05003	3.1
67.05505	67.7
68.05818	2.1
69.07057	7.1
70.73073	1.8
70.81954	4.8
71.08630	14.7
73.04762	3.0
74.49303	2.1
81.07069	17.3
83.08603	11.7
85.10189	8.2
91.05433	2.1
91.05846	2.0
93.07047	2.8
95.08628	15.2
107.08583	2.7
109.10152	59.9
111.08064	2.1
119.08542	3.9
125.08595	2.0
137.09639	3.6
149.04546	2.1
155.10704	4.5
167.05554	5.9
173.11734	25.5
182.69833	2.0
226.81128	1.9
229.14349	100.0
299.06168	7.2
313.27374	98.9
314.27652	6.1
344.97565	3.2
409.96286	2.3
467.37366	55.9
468.37482	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	503.1163
Annotation	Difucol hexa-acetate
Peak:m/z	Relative Intensity
55.28505	2.5
57.61313	2.5
65.37019	2.8
65.84081	2.6
71.04766	4.7
109.09784	2.5
153.01826	4.5
154.02232	2.7
171.94554	2.5
246.63918	2.9
503.11679	100.0
504.11902	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	503.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01256	1.0
55.01863	1.6
62.46470	1.3
69.03085	2.2
69.03436	28.5
70.98254	1.6
79.05455	1.3
83.83679	1.1
85.02904	8.3
93.26437	1.2
97.02895	81.8
114.47230	1.3
115.03941	2.9
121.02871	2.8
121.06504	2.9
126.12407	1.4
137.02364	1.5
137.06055	1.3
147.04431	1.9
153.01833	5.8
157.04953	21.4
167.05560	1.4
173.40541	1.2
217.07098	4.8
231.06343	1.6
255.28091	1.2
277.08453	1.2
287.05493	100.0
288.05820	3.7
291.06076	1.7
299.05679	5.7
364.38379	1.3
365.06467	3.8
366.10602	2.4
497.94662	1.4
503.18179	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	503.2468
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
55.05529	0.5
64.70174	0.4
67.05510	0.5
69.16781	3.0
79.05499	0.5
83.08644	0.6
85.02906	0.6
93.07047	0.9
95.08659	0.5
98.22597	0.9
100.11285	1.3
105.07052	0.8
105.12299	0.4
109.10197	0.7
121.06535	1.9
122.06854	0.8
127.04007	0.5
128.07178	0.5
133.10172	0.6
147.11798	0.5
167.05611	0.7
182.15526	0.8
203.05284	2.5
210.14920	0.8
259.07861	1.0
267.15665	0.5
299.06244	0.7
341.19467	1.7
366.12561	0.5
459.22266	1.1
471.22479	1.1
503.24808	100.0
503.32037	17.7
504.25192	6.6
504.32214	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	503.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65387	1.1
57.07075	1.2
59.05011	1.6
63.16644	1.1
66.15582	1.1
69.07064	1.9
69.62312	3.9
70.02954	1.9
72.04511	5.3
73.02944	1.9
79.05487	3.5
82.24452	1.1
85.02886	2.0
85.06545	3.2
86.09706	1.4
87.08125	1.3
90.05553	40.1
95.04984	2.8
98.02366	5.8
103.05449	1.8
103.07578	2.0
104.83868	1.3
105.07034	64.2
106.07378	4.8
116.03480	5.7
122.09671	21.4
124.07582	6.6
127.04014	1.3
142.08615	3.8
166.08691	1.8
174.11288	1.7
184.09706	11.0
200.69348	1.1
202.10736	17.4
220.11803	100.0
221.12083	2.6
281.63687	1.4
301.85544	1.1
332.83017	1.2
338.68234	1.2
402.57394	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	503.2983
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
51.49382	1.1
53.97536	1.1
55.05513	3.8
55.61706	1.0
57.03427	1.2
57.15419	0.8
67.05508	6.8
69.02107	5.8
69.02523	2.1
73.04747	1.4
79.05508	3.7
81.03412	1.3
81.07061	7.1
83.08624	2.1
91.05483	1.8
93.07042	4.6
95.08618	1.5
98.22579	2.2
105.07031	5.6
107.08574	2.6
109.10144	1.6
119.08605	1.3
121.10052	1.1
133.06502	2.8
135.04716	1.1
135.08055	3.1
149.13266	1.9
151.07599	1.3
177.09175	6.9
178.09396	2.0
179.10748	1.2
197.39197	1.0
235.13074	11.8
257.19177	1.1
269.17542	1.2
282.01691	1.1
291.15662	13.0
503.29779	100.0
504.30167	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	503.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74234	0.3
57.03446	0.4
67.05518	3.1
69.07075	0.7
79.05493	1.2
79.82266	0.3
81.03410	0.4
81.07051	2.0
83.08624	0.3
91.05464	0.8
93.07050	1.5
93.95226	0.3
95.04965	0.3
95.08607	0.8
97.06551	0.4
98.52029	0.4
105.07056	0.8
107.08588	1.3
107.55634	0.3
109.06509	0.6
109.10163	0.9
109.65262	0.3
117.07044	0.4
119.08592	0.4
121.10169	0.5
131.08604	0.4
133.10124	0.6
149.13248	0.6
166.30106	0.3
167.05566	0.4
199.64911	0.3
235.13039	3.6
269.17639	1.2
275.20056	0.8
283.03119	0.3
291.15662	4.3
299.06253	0.6
450.59692	0.4
503.29803	100.0
504.30154	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	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
51.87848	0.5
53.03949	5.4
55.01870	2.2
55.05514	44.6
57.03447	1.9
57.06795	0.8
57.07081	14.3
65.03942	1.4
65.22501	0.6
67.05510	16.0
69.03442	1.8
69.07074	43.3
70.07417	0.6
71.04990	1.4
71.08638	9.8
79.05500	13.7
79.23768	0.6
81.03423	100.0
81.07063	12.6
82.03799	1.0
83.05000	3.1
83.08624	49.1
84.08953	1.0
85.10195	3.7
91.05484	23.3
93.07049	8.1
95.04362	1.4
95.04973	26.6
95.08612	6.1
97.02895	2.7
97.06543	1.3
97.10175	29.4
103.05508	1.0
105.07037	13.6
105.92023	0.6
107.04971	4.9
107.08607	3.7
109.06499	3.1
109.10184	2.9
111.04481	1.6
111.08082	7.9
111.11721	10.0
115.05462	1.3
117.07051	2.3
119.04948	1.3
119.08588	11.1
121.06543	2.2
121.10145	6.2
123.08099	1.6
125.09662	0.7
125.13297	2.5
128.06250	1.2
129.07014	10.2
131.08574	8.6
133.06493	3.4
133.10138	8.4
135.11693	0.8
137.09674	1.7
139.14862	0.9
141.07050	0.8
142.07800	2.6
145.10141	1.5
147.08034	3.0
147.11691	5.9
149.09639	3.9
157.10126	10.3
158.60013	0.6
159.11661	0.8
165.12798	1.6
171.82706	0.7
175.11200	10.4
185.13216	0.6
193.12253	33.1
194.12686	1.0
205.12285	0.9
213.12738	0.8
231.13806	1.2
237.22231	1.9
249.14847	6.9
311.25952	0.7
503.37354	59.3
504.37628	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	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03951	3.6
55.01873	1.1
55.05516	22.0
57.03438	2.7
57.07082	3.4
59.05007	0.9
65.03947	3.7
67.05508	68.8
68.05859	0.5
69.02995	2.6
69.03427	1.7
69.07072	14.7
71.04999	7.1
71.08630	1.3
73.06594	0.5
77.03912	0.9
79.05497	38.6
80.05844	1.0
81.03420	8.1
81.07060	100.0
82.07411	1.9
83.04990	1.8
83.08620	10.8
85.06545	11.8
85.10192	0.8
91.05488	24.4
92.05817	0.5
93.07049	31.9
95.04964	6.0
95.08611	22.4
97.00105	0.4
97.06544	2.5
97.10163	5.0
98.23307	0.9
99.08108	0.9
103.05494	0.6
105.04520	1.1
105.07035	15.3
107.04971	0.8
107.07863	0.8
107.08598	16.7
109.06534	1.5
109.10165	9.4
110.10448	0.5
111.08102	1.6
111.11749	1.0
111.87028	0.4
117.07019	4.2
119.08592	9.3
121.06551	0.5
121.10151	14.1
123.08093	1.0
123.11711	13.0
125.09661	0.5
127.07611	0.6
129.07011	2.3
131.08571	8.4
133.10129	14.4
134.10515	0.5
135.11700	9.3
135.12685	0.6
137.09663	0.6
137.13243	0.5
139.11176	0.6
143.08592	0.6
145.10117	6.1
147.11708	4.0
149.13246	3.7
151.11179	6.1
153.12735	0.9
157.10150	2.2
159.11705	4.0
161.13316	2.4
163.14804	0.7
169.12267	2.6
171.11739	0.6
173.13258	2.9
175.11221	1.1
175.14908	1.3
177.16457	0.7
183.11714	0.7
185.13341	0.7
187.13324	9.0
187.14847	1.3
193.12206	2.7
197.13206	0.5
199.14899	0.6
203.14554	0.4
223.70531	0.4
243.21100	1.2
251.65540	0.5
259.20532	0.8
261.22144	3.7
317.24765	0.9
377.26978	0.4
393.31842	1.1
396.95178	0.5
411.32346	1.9
429.33768	1.4
433.33548	0.5
485.36298	1.9
503.37326	65.9
504.37595	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	505.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38465	1.0
55.05508	1.3
58.27772	1.1
64.41729	1.1
67.05501	1.3
69.03429	13.0
71.29926	1.4
75.41380	1.3
79.05495	1.2
81.03422	2.8
81.07056	2.7
85.02887	1.5
86.09700	3.0
91.05463	2.9
92.04996	1.3
93.07052	1.7
94.26894	1.1
95.04939	1.6
95.08593	1.9
97.02899	66.6
98.97398	1.2
105.03381	1.5
105.07049	1.9
107.08544	1.3
107.39960	0.9
109.02870	1.4
110.06017	1.2
111.00825	1.4
115.03890	1.8
120.08089	1.8
121.02892	1.6
121.06525	1.6
121.10160	1.5
122.82049	1.1
123.04476	1.2
129.07054	1.1
137.02345	4.8
143.03418	4.0
153.01859	5.7
157.04893	1.6
165.01831	1.9
165.09140	3.0
177.05432	1.1
201.05464	2.4
203.05490	4.6
219.06602	1.4
229.04951	5.8
243.75281	1.2
257.04401	3.1
285.03961	1.6
287.05548	2.5
303.05002	100.0
304.05328	4.7
315.05051	2.2
381.05951	1.3
504.24866	2.6
505.20343	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	505.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44806	0.7
51.04173	0.7
69.03469	0.8
69.51573	3.0
83.04980	2.8
85.02917	1.0
89.68095	0.7
98.22683	1.3
104.73281	0.8
110.09666	0.8
117.39282	0.7
120.08170	1.0
136.96294	0.7
138.09171	0.7
138.42291	0.7
175.10912	4.0
250.09625	0.9
277.08640	0.9
278.09219	0.9
342.14548	0.9
353.04788	81.5
354.05197	3.4
355.06320	4.2
394.07541	0.9
442.39462	0.7
505.16772	100.0
506.17282	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	505.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51871	5.9
70.06590	11.2
83.73140	5.1
84.04508	11.4
86.09708	9.5
96.61688	5.2
105.03411	12.7
105.07030	21.3
118.06538	24.8
119.92239	5.1
123.07278	5.1
127.13219	5.2
144.08051	13.9
146.06012	57.1
147.07803	6.4
153.01849	9.3
155.95406	5.6
187.44835	6.1
188.07057	100.0
205.09756	24.5
208.00620	6.1
264.27133	6.5
434.84915	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	505.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31877	2.9
53.03944	7.8
55.01880	2.9
55.05510	3.1
57.03444	4.2
66.52431	2.1
67.05510	9.8
68.27558	2.8
69.03436	19.3
70.06582	2.4
71.30053	3.4
75.04456	4.2
79.05505	17.3
80.28862	2.5
81.03422	28.5
81.07069	8.6
85.02911	17.3
88.11273	3.1
89.03938	2.6
91.05493	38.1
92.05806	5.4
93.07049	100.0
95.04983	10.9
95.08615	11.2
97.02895	10.1
99.04466	7.5
99.59120	2.6
103.05492	14.2
105.03423	2.5
105.04549	2.8
105.07036	15.1
107.05007	3.3
107.08601	7.9
109.02876	10.7
109.06527	2.6
109.10166	3.7
111.04442	5.7
111.08096	5.3
117.03395	7.8
117.07005	6.4
119.08582	34.4
121.06523	24.6
121.10147	69.7
123.08078	9.0
127.03876	6.3
131.04932	24.4
131.08588	9.8
135.08058	5.4
137.05977	12.3
143.08434	2.6
145.02867	15.8
145.05013	6.5
145.06451	2.6
145.10185	2.9
149.05952	4.1
149.09642	26.4
151.03935	6.6
151.07547	7.0
158.90091	2.9
160.04048	2.8
161.06062	5.7
162.03146	3.2
162.05539	8.9
163.03902	3.1
163.07538	14.8
164.03438	5.6
165.09129	2.5
167.08614	3.4
167.10681	21.1
175.07565	6.8
177.05481	31.3
177.09232	3.3
178.04974	20.7
179.05359	11.3
179.06902	3.7
180.65617	2.8
187.07510	10.8
189.05495	13.9
189.09192	5.8
191.07094	6.8
195.06537	3.5
195.08162	3.7
197.06024	3.0
201.09105	9.1
203.07056	8.1
206.04477	5.0
207.06558	3.8
211.07706	3.0
213.08966	3.0
215.07127	3.3
215.10544	2.5
224.05522	9.6
225.05873	9.6
227.10666	6.1
229.08553	5.1
241.12268	6.0
241.99319	2.7
255.10193	4.3
255.13988	4.8
258.06995	2.8
277.08557	2.5
283.13226	5.6
297.14999	4.2
307.13312	4.7
325.14349	12.6
343.15237	3.4
469.18698	5.0
487.19696	18.0
505.15646	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	505.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06340	0.2
53.03948	0.5
54.25320	0.2
55.01875	0.3
55.65197	0.2
64.99045	0.2
65.03948	0.2
67.05505	0.3
67.34113	0.2
70.02951	0.3
74.00668	0.5
76.04004	1.6
77.03939	0.3
79.05485	3.3
80.05020	0.3
83.06097	0.3
84.04504	4.7
85.04019	1.6
91.05477	10.1
92.01720	0.4
92.05804	0.3
93.05827	0.4
95.04987	0.3
95.66616	0.2
97.49908	0.2
98.22622	0.4
98.97567	0.6
99.05569	1.0
102.29585	0.2
103.05447	2.5
104.06279	0.4
105.07028	67.4
106.06615	0.4
106.07362	1.7
107.06100	0.3
108.08106	0.4
110.06051	0.3
112.02197	0.2
112.03985	0.2
113.03485	0.2
116.98606	0.2
118.06538	0.2
119.08631	0.4
119.51366	0.2
126.03742	1.5
129.06631	0.3
130.04993	2.7
131.04544	0.9
131.08560	1.4
136.02184	0.3
138.03717	0.3
139.03188	0.3
143.00151	0.2
145.06078	1.3
149.03838	0.3
152.05305	0.5
153.06595	0.5
155.08157	0.2
168.08081	0.5
169.08867	0.5
176.57555	0.2
177.03297	4.5
178.03358	0.2
180.04753	0.6
181.06047	0.7
182.09648	13.9
183.10007	0.6
185.03786	1.8
193.05652	0.2
196.03406	0.2
196.11220	0.6
197.11990	22.6
198.12759	6.2
200.14352	2.1
201.06129	0.4
202.06860	0.4
215.01982	0.2
228.08559	0.3
230.09979	100.0
231.04335	6.3
231.10286	4.5
232.11549	1.9
237.02800	0.3
256.11560	7.7
257.04971	0.3
257.11719	0.6
266.15405	0.6
273.14230	1.8
275.05908	0.6
283.12598	2.8
284.11029	12.0
285.11340	0.7
288.06482	0.7
301.13724	4.4
302.13821	0.3
306.07507	0.6
339.15231	1.9
367.14685	0.2
376.16855	3.7
412.17084	1.1
430.18060	0.5
445.07709	0.5
482.29471	0.2
505.21060	0.6
505.27927	0.2
505.37122	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	505.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06991	16.6
67.05512	56.4
69.07089	25.9
71.04974	24.4
79.05505	28.9
81.03416	39.2
81.07056	89.5
85.02891	24.6
91.05502	33.2
93.07048	29.1
95.04997	31.0
95.08598	36.5
97.02896	55.1
105.01883	24.5
105.03436	22.8
105.07063	43.5
107.08627	65.2
109.02896	22.6
113.93950	17.8
119.08588	41.2
120.08047	20.1
121.10203	23.7
135.11723	78.8
137.05995	20.5
138.06239	17.9
139.03882	30.9
147.11665	26.9
149.09596	27.8
151.03940	24.9
153.01863	45.3
163.07553	27.1
165.09082	30.9
203.18027	40.3
221.19006	28.8
295.06427	17.7
303.05188	41.6
342.36377	21.3
367.13519	87.2
373.01743	23.0
407.52768	22.6
414.65939	21.2
505.17084	100.0
505.25189	52.6
505.37061	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2777
Annotation	Mellerin B
Peak:m/z	Relative Intensity
55.05508	1.0
67.05497	4.2
70.91578	2.5
71.08607	1.1
71.92736	0.9
79.05493	2.6
81.07057	3.4
84.33547	0.9
91.05460	2.2
92.87150	1.1
93.07048	2.4
95.08604	2.0
99.08112	1.0
100.65583	1.1
105.03390	3.2
107.08599	1.5
109.10155	2.4
119.08636	1.0
121.10178	1.9
121.59673	1.0
133.10056	1.0
135.04463	2.0
145.02870	1.5
145.10156	1.1
163.03891	13.0
181.04967	1.8
185.04240	6.2
230.81883	1.0
247.72830	1.0
325.24030	1.8
343.22433	100.0
344.22723	6.5
476.58029	1.1
505.27679	78.2
506.28040	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	505.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.9
79.05460	0.7
81.03407	1.1
81.96580	0.8
86.19772	0.9
91.05479	1.4
93.07046	1.7
95.04958	0.9
103.05460	0.8
105.03430	1.1
109.02926	0.9
118.63524	0.7
121.06508	5.5
137.06015	2.5
169.17798	0.8
185.04216	17.4
309.67654	0.8
343.22455	1.4
369.09552	1.0
505.27679	100.0
506.18069	1.3
506.20544	1.2
506.27966	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2774
Annotation	Mellerin B
Peak:m/z	Relative Intensity
61.31549	0.6
62.11200	0.6
81.03429	1.1
81.07056	0.8
109.41704	0.7
137.06015	1.4
185.04243	5.9
295.14951	0.7
332.03229	0.7
343.22430	46.4
344.22842	3.6
377.24158	0.7
474.20529	0.9
497.87039	0.8
505.27722	100.0
506.28049	8.3
506.34799	0.9
506.41821	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	505.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
55.81794	0.5
56.78763	0.6
57.03432	0.9
57.07078	1.5
66.33763	0.6
66.64478	0.5
67.05511	3.2
69.07085	2.7
71.08630	1.4
71.31086	0.6
71.31425	0.6
75.51485	0.5
78.74891	0.5
79.05487	1.9
81.03403	1.8
81.07041	2.4
83.08614	2.3
89.03913	5.3
91.05463	1.2
93.07057	1.8
95.04954	0.6
95.08635	1.2
97.10181	0.8
105.03397	1.3
107.08612	0.9
109.10138	1.3
117.02602	1.1
117.03384	14.0
119.08564	0.7
121.10133	0.9
134.03645	1.3
135.04454	1.0
135.11670	0.9
145.02852	38.6
149.05995	5.7
163.03925	1.0
177.05478	100.0
178.05836	2.8
186.05521	1.5
193.12192	0.7
195.00281	1.7
195.06519	1.1
202.03769	0.5
215.96716	0.5
226.08009	0.6
351.02805	0.8
364.34238	0.6
429.39627	0.6
483.96829	0.7
494.62985	0.6
505.31549	2.0
505.38855	2.4
516.14026	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	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64447	1.0
51.02371	3.1
53.03945	12.1
55.01865	3.8
55.05511	23.9
57.03434	8.2
57.07071	1.4
61.72028	1.1
65.03929	5.5
67.05505	70.9
68.05836	1.3
69.07066	13.1
71.04995	3.5
71.10962	1.1
71.29053	1.3
73.06533	2.4
77.03906	2.3
79.05494	100.0
80.05812	1.8
81.03424	9.7
81.07056	55.6
83.04983	14.8
83.08620	10.6
85.02866	2.0
85.06546	2.9
91.05478	76.7
92.05815	2.4
93.07043	92.2
94.07365	1.5
95.04964	26.8
95.08606	36.0
97.06531	7.0
97.10152	2.9
103.05557	1.7
105.03390	1.7
105.04509	3.4
105.07029	54.1
106.07367	2.8
107.04961	8.0
107.08588	19.4
107.97404	1.2
109.06498	9.5
109.10136	7.4
111.08125	1.6
115.05441	2.5
116.47584	1.2
117.07005	12.8
119.08587	30.5
121.06508	3.4
121.10152	6.8
123.08083	8.0
127.07562	1.3
128.06230	2.4
129.07005	24.0
131.08545	4.5
133.10127	11.0
135.08043	2.0
135.11674	4.0
137.09645	1.6
143.08549	14.7
145.10109	12.9
147.08058	3.6
147.11682	52.6
148.11981	1.6
156.09315	1.8
159.11674	2.5
161.09630	5.3
161.13274	16.8
163.11209	3.6
169.10085	1.2
171.11690	40.4
173.11743	1.5
179.14311	2.9
181.80905	1.7
184.07271	1.3
189.12749	22.7
190.13008	1.3
207.13806	44.3
208.14157	2.2
220.71451	1.1
225.14827	4.9
229.14311	2.3
229.99985	1.2
259.20602	1.3
263.16437	2.4
281.17459	66.9
282.17862	4.1
355.50238	1.1
436.31351	1.1
464.79834	1.4
487.30518	57.2
488.30902	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	505.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84311	1.0
53.03939	1.8
55.01865	2.3
55.05515	16.2
57.03436	6.4
57.07076	3.1
57.80461	1.1
59.04988	4.2
65.03941	4.3
66.25188	1.0
67.05509	100.0
68.05849	2.0
69.03424	2.1
69.07067	7.3
71.04993	4.6
77.91434	1.2
79.05499	27.0
81.06582	2.3
81.07059	37.4
83.08617	10.3
85.06537	3.6
91.05484	36.1
93.07047	34.9
95.04975	2.6
95.08616	18.4
97.06548	2.8
97.10175	3.4
99.08105	2.6
105.03403	2.3
105.04469	1.2
105.07037	41.3
107.08599	19.7
109.06529	2.3
109.10162	62.3
110.10487	1.2
111.08097	4.5
113.09635	1.3
117.07011	10.6
119.08588	35.3
121.06485	1.1
121.10139	10.1
123.08065	1.4
123.11695	2.4
125.09648	3.6
129.07016	5.7
131.08574	14.3
133.10139	25.8
135.11700	10.5
136.35864	1.2
137.09630	4.3
137.13240	1.4
143.08563	6.5
145.10133	12.3
145.81151	1.1
147.11690	24.5
148.11990	1.2
149.09673	1.4
149.13255	6.8
155.08653	1.3
155.10651	2.2
157.10165	4.6
159.11682	11.2
161.13275	20.0
163.11206	2.4
163.14787	1.8
165.12726	1.4
169.10077	1.1
171.11700	8.1
173.11742	23.3
173.13278	7.7
175.14816	9.1
185.13309	5.3
187.14848	3.2
189.11232	2.0
189.12836	1.4
191.14366	1.3
199.14864	3.4
213.16434	1.9
213.91798	1.1
221.15453	1.2
227.12843	5.9
229.14355	41.9
231.21089	4.5
241.19550	22.3
259.20599	48.7
260.20959	2.0
261.22162	3.5
275.20004	1.9
277.21362	1.3
283.06180	1.0
290.99310	1.0
315.23154	3.6
333.24280	24.6
395.29401	1.8
413.30502	2.2
487.34589	8.7
505.28436	1.4
505.35208	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	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.6
53.03948	5.2
55.01867	2.3
55.05513	13.5
55.26979	0.6
57.03428	2.0
57.07078	45.2
65.03947	2.1
67.05507	34.0
68.05856	0.7
69.03429	2.0
69.07069	11.4
71.04999	1.6
71.08634	30.9
79.05499	16.3
79.05959	0.7
81.03420	100.0
81.07059	32.5
82.03753	1.6
82.07401	0.8
83.04993	3.5
83.08624	28.2
85.06551	0.8
85.10187	17.2
91.05484	22.0
93.07039	9.2
95.04972	25.0
95.08608	32.5
97.02894	3.0
97.06536	0.9
97.10168	6.9
99.08107	0.8
99.11703	0.9
103.05450	0.9
105.03347	0.9
105.04560	0.9
105.07034	14.0
107.04979	5.8
107.08606	3.6
109.06493	2.9
109.10157	12.9
111.04431	1.9
111.08079	6.5
111.11741	1.1
113.13243	0.8
115.05444	1.4
117.07018	1.9
119.08584	12.7
119.33397	0.6
121.06525	3.3
121.10152	6.2
123.08063	1.7
123.11708	7.0
125.09625	0.7
125.13294	0.7
129.07034	11.2
131.08583	8.5
133.06534	3.2
133.10141	3.8
137.09602	1.4
137.13272	1.7
141.07018	0.6
142.07788	3.0
147.08104	3.1
147.11691	6.1
149.09633	3.8
151.14864	0.6
157.10133	9.4
165.12770	1.4
165.16400	0.9
175.11189	9.0
185.13213	0.9
189.93536	0.6
193.12247	27.9
193.14030	1.3
194.12611	0.7
221.22614	1.2
231.13937	1.0
239.23691	7.7
249.14873	5.1
505.38873	62.8
506.39334	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	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03945	5.2
55.01868	2.8
55.05513	15.4
56.41520	0.6
57.03428	2.1
57.07076	48.2
65.03928	1.9
67.05503	33.3
69.03423	1.4
69.07069	13.4
71.01317	0.7
71.04989	1.8
71.08630	34.0
72.08985	0.9
77.47256	0.6
79.05489	19.0
81.03417	100.0
81.07056	35.2
82.03752	1.7
82.07407	0.9
83.04983	4.0
83.08616	33.6
85.06541	2.2
85.10181	15.6
85.10659	0.9
91.05479	22.9
92.05814	0.6
93.07038	11.0
95.04969	26.6
95.08605	33.6
96.08925	0.8
97.02901	2.9
97.06541	1.6
97.10164	8.0
98.22550	0.9
99.08089	1.4
99.11742	1.1
103.05497	0.7
105.03424	0.7
105.07029	15.7
106.07379	0.8
107.04970	6.0
107.08590	4.3
109.06541	3.0
109.10162	14.3
111.04446	1.0
111.08073	7.8
111.11769	1.4
115.05472	1.1
117.07007	1.6
119.04932	1.5
119.08575	12.9
121.06513	2.8
121.10131	5.4
123.04436	2.0
123.08057	1.0
123.11701	6.5
124.21761	0.6
125.13326	1.1
128.06221	1.3
129.07013	11.0
130.47542	0.5
131.08577	9.6
133.06490	3.4
133.10146	5.4
135.11737	1.2
137.09625	2.0
137.13260	2.5
142.07782	3.1
145.10187	1.3
147.08087	3.3
147.11693	6.0
149.09615	4.7
151.14795	1.4
157.10127	8.3
159.11713	0.9
163.11189	0.6
165.12756	1.6
165.16394	0.9
175.11205	9.6
193.12236	53.1
194.12570	1.3
213.12759	1.2
231.13861	1.5
239.23711	8.9
249.14854	6.2
365.58328	0.5
409.13281	0.6
414.68359	0.6
505.38858	66.8
506.39291	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.7
55.01880	3.8
55.05512	22.5
57.03422	1.5
57.07078	49.0
58.07411	0.8
65.03931	2.1
66.82054	0.7
67.05508	42.1
69.03416	2.9
69.07069	20.6
69.55801	2.0
69.56194	1.4
71.04999	2.4
71.08633	32.3
72.08966	0.9
79.05154	0.7
79.05495	23.9
81.03419	100.0
81.07056	51.6
82.03745	1.6
82.07413	0.9
83.04976	4.3
83.08620	34.8
85.06538	1.3
85.10182	17.1
90.27105	0.8
91.05482	27.1
93.07047	17.9
95.04972	26.8
95.05558	1.8
95.08609	36.0
96.05323	0.8
97.02910	2.9
97.06539	2.4
97.10175	11.0
97.89922	0.8
98.22726	1.1
99.08052	1.3
99.11727	1.7
105.07032	16.8
107.04957	5.4
107.08601	6.5
109.06537	3.3
109.10161	14.0
110.10515	0.8
111.04467	1.9
111.08091	9.0
111.11739	3.0
115.05498	2.0
117.07014	2.6
119.08575	12.4
121.06509	4.1
121.10140	9.0
123.08078	2.1
123.11703	8.9
125.09633	1.3
125.13269	1.1
128.06198	1.0
129.07005	12.2
131.08572	9.3
133.06483	2.6
133.10124	6.9
135.08032	0.9
135.11719	2.4
137.09621	1.2
137.13274	2.8
142.07805	2.6
145.10149	1.8
147.08072	2.4
147.11690	7.1
149.09639	4.1
149.13304	2.5
151.11063	0.9
151.14905	1.1
157.10109	10.7
159.11725	2.1
165.12772	2.0
165.16412	1.3
175.11195	10.3
193.12239	34.8
195.13837	1.2
221.15370	1.0
225.41592	0.8
232.34224	0.7
237.22195	1.4
239.23703	8.1
249.14827	5.9
272.46378	0.8
413.23160	0.9
505.38892	84.5
506.39166	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01893	1.5
55.05515	13.8
57.03434	1.0
57.07079	48.2
58.07426	0.7
65.03930	1.9
67.05508	31.6
68.05847	0.8
69.03434	2.2
69.07072	11.2
71.04996	2.6
71.08636	36.8
77.54293	0.6
78.77266	0.6
79.05499	15.7
81.03422	100.0
81.07060	33.1
81.07442	0.6
82.03743	1.9
83.04987	4.1
83.08622	35.1
85.02907	1.1
85.06551	1.1
85.10184	19.5
91.05487	18.8
93.07043	8.7
95.04972	25.0
95.08611	35.0
96.08958	1.2
97.02917	2.8
97.06567	1.5
97.10180	10.1
99.08112	1.3
99.11748	1.3
105.03397	1.3
105.07034	13.0
107.04968	6.0
107.08602	2.9
109.06527	2.7
109.10166	15.9
110.10518	0.7
111.04444	1.7
111.08081	9.8
111.11729	1.8
113.13308	0.8
115.05441	1.6
117.07016	2.2
119.04945	1.1
119.08582	12.2
121.06503	2.5
121.10136	5.0
123.08067	1.6
123.11716	6.3
125.13254	1.9
126.69852	0.7
128.06195	0.8
129.07010	11.3
131.08577	9.1
133.06474	3.2
133.10133	4.6
135.08113	1.0
137.09625	1.5
137.13269	2.9
142.07791	2.4
147.08086	3.8
147.11696	8.5
149.09641	4.5
151.14864	1.5
157.10139	13.2
164.74358	0.7
165.12746	2.7
165.16382	1.1
173.13332	0.9
175.11168	11.9
179.17892	0.8
185.13261	1.3
193.12248	45.4
194.12642	1.9
209.08528	0.8
221.22670	1.0
231.13811	1.4
239.23724	12.1
249.14888	7.7
341.60938	0.7
505.38879	99.1
506.39258	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	506.2022
Annotation	Isoalangiside
Peak:m/z	Relative Intensity
51.98034	0.2
57.03439	0.2
57.62587	0.2
63.02385	0.4
69.03448	0.2
69.40177	1.1
78.17076	0.2
85.02894	0.4
89.03915	5.1
91.05479	2.8
93.07030	0.2
95.05009	0.5
98.22643	0.5
100.15018	0.2
106.04173	0.4
117.03378	15.7
118.03694	0.4
119.04925	2.0
121.06511	0.7
134.03619	0.9
135.04391	0.8
136.05247	0.2
138.02898	0.2
141.12437	0.2
145.02844	45.3
146.03192	1.0
146.06000	0.6
149.05978	5.7
151.07538	4.0
161.05965	0.3
162.03098	0.4
163.03929	0.6
167.06990	0.4
177.05464	100.0
178.05792	2.3
181.75883	0.2
186.05534	0.5
227.64018	0.2
241.04999	0.4
241.78651	0.2
269.04352	0.5
284.06793	2.4
287.05466	0.6
299.05652	0.2
303.04999	1.4
312.06219	0.9
315.04935	0.6
329.06393	1.1
330.07278	1.3
344.08218	0.4
344.14926	13.4
345.09698	6.6
345.14978	0.9
506.19409	0.7
507.14661	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	506.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
54.13650	2.3
55.05514	23.4
57.03440	8.7
57.07075	24.5
62.06094	33.0
67.05509	47.9
68.05833	5.4
69.00363	4.1
69.00764	18.1
69.07079	27.2
70.66405	2.4
71.08628	17.6
79.05492	12.9
81.03417	22.2
81.07058	39.7
82.03759	5.6
83.08619	17.2
84.08944	3.5
85.10189	7.4
91.05484	11.1
92.05788	4.4
93.07067	11.3
94.75508	2.4
95.04967	7.4
95.08598	42.7
96.08892	2.5
97.06539	2.6
97.10178	10.1
98.23357	6.3
98.98487	11.2
105.03394	6.1
105.07031	5.9
107.08598	8.6
109.10168	19.0
110.10485	4.1
117.07075	2.6
119.08554	6.3
121.10133	9.8
123.11675	7.3
133.10161	4.9
135.11720	5.7
142.02736	2.5
147.11745	5.0
149.02309	2.6
153.83919	2.2
155.01070	7.4
193.04984	3.0
193.12297	8.7
194.12636	5.3
195.00293	78.9
216.06415	5.4
291.26990	5.3
291.29965	2.3
304.06512	2.4
313.27274	16.2
334.31107	15.9
347.29291	3.2
365.30505	100.0
366.30841	5.4
415.19513	2.5
506.31827	4.5
506.39078	32.3
507.26999	7.7
507.39716	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	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05506	0.4
56.05025	0.8
56.80793	0.3
57.07076	0.5
58.06622	0.4
60.07896	0.4
60.08170	6.6
67.05515	1.5
69.07055	0.5
70.49755	0.3
71.07380	3.7
71.08624	0.3
79.05495	0.4
81.07039	0.8
86.09711	34.8
87.10043	0.6
91.05469	0.7
93.07030	0.8
95.04971	0.4
95.08617	0.7
98.98478	3.4
104.10757	3.5
105.03399	2.5
106.03727	0.8
109.10104	0.4
119.25042	0.3
121.10211	0.4
125.00016	24.4
140.96429	0.3
143.01036	0.6
179.43642	0.3
183.43063	0.3
184.07356	100.0
185.07693	1.4
198.27672	0.3
205.28607	0.4
207.96378	0.4
488.31244	1.3
506.32303	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	507.1137
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.31466	0.3
53.03949	1.1
53.64286	0.3
55.01870	0.4
57.03441	0.9
61.02926	1.4
64.80291	0.3
65.03938	0.4
68.99803	0.8
69.03434	4.5
70.43458	0.6
70.43793	0.4
71.04993	0.6
73.02918	1.1
81.03422	3.6
85.02911	14.1
91.05496	0.4
95.04977	0.6
97.02895	9.9
99.04462	1.0
109.02876	3.1
111.00815	1.2
119.05067	0.3
121.02853	1.3
121.06505	1.2
123.04420	0.5
127.03922	4.1
135.04428	0.3
137.02339	4.1
145.05009	1.6
147.04335	0.4
149.02435	0.8
151.03951	0.5
153.01826	4.6
155.04874	0.5
161.05980	0.7
163.03935	0.7
165.01823	2.3
173.06073	0.5
179.03568	0.3
183.02916	0.9
183.04428	0.4
187.03976	0.5
187.06052	1.2
201.05467	2.3
205.07106	0.5
219.03003	0.4
229.04956	4.7
239.07150	0.3
247.06187	0.6
257.04437	3.5
274.04727	1.1
284.06818	1.7
285.03979	1.6
303.05002	100.0
304.05362	4.3
312.06390	0.4
315.05020	2.4
329.06561	1.0
330.07358	0.3
345.09732	7.5
381.06104	1.3
393.06161	0.5
411.06909	0.5
479.31705	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	507.1136
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.93326	0.4
53.03949	2.7
53.23955	0.4
57.03434	1.1
61.02927	2.4
64.31686	0.5
66.69509	0.5
68.99776	1.3
69.03433	7.8
69.19199	2.3
69.19621	1.4
71.04984	1.9
73.02919	0.5
81.03423	6.1
83.01356	0.9
84.27461	0.4
85.02905	7.7
97.02892	19.9
98.03193	0.7
98.37898	0.5
99.04458	3.8
109.02872	3.8
111.00790	1.1
115.03902	0.6
117.07022	0.6
127.03917	4.9
137.02299	3.3
145.04967	10.5
153.01825	5.2
163.03946	0.7
165.01837	1.9
183.02887	0.9
187.03867	1.0
187.05968	0.6
201.05475	2.2
229.04947	5.3
257.04422	2.6
274.04742	1.1
285.03912	1.4
303.04987	100.0
304.05298	4.5
315.04999	0.8
342.20285	0.5
368.09250	0.5
507.19281	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	507.1137
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.90150	0.5
53.03942	1.2
59.80022	0.5
61.02911	0.5
68.99798	0.7
69.03451	2.3
69.34387	2.1
73.02908	1.3
81.03427	3.9
85.02902	3.3
91.05480	0.8
93.07024	0.6
97.02895	19.1
98.22564	0.8
99.04483	1.2
105.06988	0.4
106.06556	0.5
107.04977	0.6
109.02872	1.8
111.00839	0.9
121.02824	1.2
121.06513	2.0
123.04430	1.7
127.03902	4.8
137.02354	3.8
137.05995	1.6
145.06535	0.7
147.04453	0.5
151.03873	1.0
153.01843	5.2
161.06007	0.9
163.03954	0.8
165.01862	2.7
173.05933	0.8
183.02821	0.8
187.06078	2.4
201.05513	2.3
219.06508	0.5
220.47804	0.5
229.04970	5.7
257.04477	3.2
274.04715	0.5
284.06696	1.4
285.03940	0.7
303.05002	100.0
304.05295	4.5
312.06323	0.5
330.07352	0.6
345.09738	5.0
439.21701	0.5
507.16061	1.1
508.27499	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	507.1138
Annotation	Quercetin-3-O-glucose-6''-acetate
Peak:m/z	Relative Intensity
53.03929	0.1
68.99797	0.2
69.03402	0.3
69.03744	0.1
71.01340	0.1
71.29050	0.2
79.05444	0.2
81.03372	0.4
85.02874	0.3
88.11237	0.1
89.03882	0.5
91.05484	0.2
95.01298	0.2
97.02847	0.5
117.03340	0.5
121.71678	0.1
123.00788	0.9
135.04420	3.0
137.02338	1.2
141.01852	0.2
145.06393	0.1
151.00267	0.2
161.02319	0.4
168.99934	0.3
169.01321	3.9
183.04332	0.2
187.02283	0.1
187.03889	0.1
201.05307	0.1
205.04948	0.1
211.03923	0.2
229.04965	0.2
247.06140	0.3
257.04376	0.6
261.04010	0.2
285.04016	0.7
303.04984	100.0
304.05344	5.3
304.08865	0.2
397.55807	0.1
405.02811	0.1
506.24152	0.1
507.11371	7.4
507.18152	0.4
508.11850	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	507.15
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
62.57725	0.2
63.61023	0.1
69.43330	0.6
81.31189	0.1
88.24920	0.2
98.22598	0.3
110.07553	0.1
114.04948	0.2
121.02865	0.2
137.02280	0.2
137.05878	0.1
151.03917	0.6
153.01768	0.1
164.04790	0.2
178.02629	0.2
182.25172	0.1
185.05930	0.4
196.05173	0.8
197.05986	0.2
198.06793	0.2
199.07542	0.2
199.13879	0.2
201.87015	0.2
207.60089	0.1
211.07480	0.1
213.05481	1.6
217.04950	0.4
224.04646	1.0
225.05498	1.1
226.06178	0.3
227.07019	0.4
228.63373	0.2
231.06528	0.3
239.07198	0.3
241.04959	4.3
242.05385	0.2
252.04298	0.3
253.04886	1.4
255.06564	0.3
256.07257	0.4
257.04379	0.2
259.06015	1.0
267.06375	0.2
269.04425	1.9
272.03055	0.3
281.04562	0.3
283.05988	0.4
284.06802	21.8
285.07050	1.1
286.04617	0.5
287.05499	4.7
295.06198	0.2
296.03021	0.2
297.03955	0.6
299.05508	1.5
300.02753	0.5
300.06259	0.5
301.07092	2.0
302.07510	0.2
311.05475	3.2
312.06271	8.6
313.07004	2.7
314.04355	0.4
314.07565	0.2
315.01276	0.2
315.05008	7.0
316.05695	1.6
329.06540	5.7
330.07333	12.4
331.07715	0.8
345.09689	100.0
346.10010	5.1
431.17291	0.1
507.14908	1.0
507.31570	0.5
514.68597	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	507.1502
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
57.03418	0.1
58.28133	0.1
61.02923	0.1
69.03423	0.2
71.30957	0.1
71.72102	0.1
73.28285	0.1
81.03389	0.2
85.02877	0.5
86.09669	0.1
95.61333	0.1
97.32613	0.1
103.05449	0.1
106.04189	0.1
111.00806	0.1
121.02824	0.1
121.06475	0.3
134.72832	0.1
135.04407	0.2
137.02315	0.2
137.05974	0.3
149.02347	0.2
151.03854	0.9
153.01782	0.4
164.04639	0.1
165.01750	0.2
166.02625	0.2
167.03404	0.4
167.07057	0.2
168.05673	0.2
173.05902	0.1
178.02585	0.1
180.29788	0.1
181.06502	0.2
185.06000	0.7
187.03899	0.3
189.05447	0.3
191.07152	0.1
193.04933	0.2
196.05177	1.2
197.05917	0.3
198.06761	0.1
199.07509	0.3
201.05400	0.2
203.03328	0.2
203.06958	0.2
210.06689	0.2
211.07484	0.2
213.05484	1.8
214.05940	0.2
216.04286	0.2
217.04971	1.6
224.04710	1.2
225.05492	0.6
226.06241	0.3
227.07033	0.7
228.07820	0.2
229.04953	0.2
231.06473	0.8
238.06303	0.2
239.07053	0.7
241.04968	6.2
242.05385	0.3
244.03694	0.5
245.04404	0.1
252.04128	0.6
253.04982	1.7
254.05463	0.2
255.06558	0.5
256.07327	0.8
257.04416	0.4
258.05228	0.3
259.05969	1.5
267.06506	0.5
269.04449	8.4
270.04822	0.4
272.03165	0.5
273.03864	0.2
273.07465	0.2
280.03549	0.2
281.04501	0.5
282.05136	0.2
283.06107	0.8
284.06796	34.4
285.03922	1.4
285.07202	1.8
286.04800	1.0
287.05508	5.2
288.05740	0.3
295.06155	0.6
296.03177	0.4
296.06219	0.1
297.03937	2.5
298.04590	0.4
299.05521	2.6
300.02603	0.8
300.06219	0.8
301.03781	0.1
301.07056	4.1
302.07629	0.4
303.05054	0.4
311.05502	4.9
311.09097	0.2
312.06281	11.2
313.07013	4.6
314.04184	0.9
314.07401	0.3
315.04993	11.9
316.05746	3.7
317.06274	0.2
317.10040	0.1
329.06558	13.6
330.07324	19.7
331.07742	1.4
343.08090	0.3
345.09686	100.0
346.10013	6.4
387.10742	0.2
492.13657	0.1
507.14966	56.1
508.15295	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	507.1501
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
55.05492	0.1
69.03410	0.3
70.06837	0.4
72.95728	0.1
81.03413	0.2
85.02893	0.4
93.06995	0.2
95.08578	0.2
97.02879	0.3
99.04438	0.2
105.06953	0.2
109.02892	0.4
121.06513	1.0
123.04396	0.2
127.03917	0.2
129.06972	0.3
137.02321	1.0
137.05972	0.3
137.09589	0.2
138.09175	0.2
139.03831	0.2
141.06961	0.2
143.08540	0.1
149.02313	0.2
151.03893	0.4
153.01849	0.9
154.02165	0.2
157.06485	0.4
161.05963	0.3
163.03909	0.2
165.09145	1.5
167.03429	0.3
167.07056	0.3
170.07289	0.2
171.08015	0.3
172.08838	0.3
177.05473	0.2
181.04979	0.4
181.06471	0.3
182.07277	0.3
185.06006	1.0
195.04353	0.2
195.46014	0.1
197.06000	0.5
198.06732	0.3
199.07565	1.1
200.08366	2.4
203.03389	1.5
209.06003	0.3
210.06783	1.4
211.07509	0.3
213.05492	3.0
214.06053	0.3
225.05469	0.4
226.06245	0.6
227.07085	2.2
228.07803	1.7
237.05518	0.3
238.06229	1.0
239.07048	0.8
241.04939	1.8
243.06482	0.2
255.06564	1.7
256.07300	3.3
257.04465	0.5
257.07889	0.4
266.05774	0.6
267.06537	1.4
269.04483	1.4
270.04910	0.2
271.05997	0.3
272.06677	0.2
273.07504	0.2
283.05972	1.4
284.06796	29.0
285.04175	0.2
285.07141	1.7
286.04553	0.2
287.05527	1.1
295.06042	0.6
297.03952	0.2
299.05530	2.7
300.06256	1.4
301.07068	4.7
302.07736	0.5
303.05090	0.9
311.05472	4.6
312.06271	12.5
313.07022	2.4
315.04840	0.6
316.05832	2.5
329.06558	13.8
330.07324	11.7
331.07803	0.5
337.10577	0.2
344.09000	0.2
345.09686	100.0
346.10031	5.7
370.10205	0.2
387.10828	0.2
412.37772	0.2
461.17148	0.2
507.14954	45.1
508.07806	0.2
508.15201	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	507.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09314	0.6
56.96574	0.7
63.95905	0.5
69.03461	0.6
71.29063	0.6
72.08138	0.6
79.05461	0.6
81.03410	1.5
81.07017	0.7
84.07095	0.6
88.11305	0.6
91.05480	0.6
93.07059	0.8
95.04974	0.7
95.08572	0.7
98.97614	1.4
105.07022	0.7
116.29024	0.6
116.98620	1.0
137.05949	1.0
141.75433	0.5
144.67314	0.5
151.07594	0.9
162.02893	1.6
165.09134	0.6
169.04762	2.6
177.05501	0.9
182.77501	0.5
189.90297	0.6
199.07465	0.6
219.01828	1.2
223.09497	1.3
237.02756	0.8
239.04521	0.6
262.05280	0.8
265.10510	0.7
285.08243	0.8
288.06723	1.7
303.05032	2.4
303.09088	4.2
321.10126	3.2
351.14032	0.7
367.13669	3.3
447.13293	2.5
507.18381	100.0
508.18784	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	507.2206
Annotation	Repandin D
Peak:m/z	Relative Intensity
55.01841	0.6
55.05515	1.2
57.07065	0.5
59.41166	0.6
67.05523	3.0
69.07070	1.1
79.05508	3.0
81.03423	1.4
81.07069	2.4
83.08626	1.0
85.02904	0.7
90.42765	0.5
91.05479	2.4
93.07067	2.0
95.04993	1.0
95.08612	2.3
97.10146	0.6
98.23469	1.3
105.07041	1.8
107.04948	1.2
107.08624	1.2
109.06566	0.9
111.08059	0.7
117.07081	0.7
119.08530	1.2
121.06448	0.9
121.10122	1.0
123.08061	0.6
129.07001	1.0
131.08571	1.0
133.10208	0.8
145.10155	1.2
147.11685	1.0
149.47688	0.5
153.01926	0.6
163.11157	0.5
167.06947	0.7
179.77820	0.5
185.04269	0.6
193.12355	0.7
195.06711	0.5
227.05206	1.2
245.06102	0.6
247.24280	0.6
259.16858	1.8
271.04190	0.6
271.08191	0.5
283.15408	0.7
289.05374	1.7
366.60443	0.5
421.21918	7.0
463.23050	29.2
464.23587	1.8
507.22101	100.0
507.28983	6.0
508.22540	6.1
534.32556	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	507.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05515	1.2
57.07065	0.5
59.41166	0.6
67.05523	3.0
69.07070	1.1
79.05508	3.0
81.03423	1.4
81.07069	2.4
83.08626	1.0
85.02904	0.7
90.42765	0.5
91.05479	2.4
93.07067	2.0
95.04993	1.0
95.08612	2.3
97.10146	0.6
98.23469	1.3
105.07041	1.8
107.04948	1.2
107.08624	1.2
109.06566	0.9
111.08059	0.7
117.07081	0.7
119.08530	1.2
121.06448	0.9
121.10122	1.0
123.08061	0.6
129.07001	1.0
131.08571	1.0
133.10208	0.8
145.10155	1.2
147.11685	1.0
149.47688	0.5
153.01926	0.6
163.11157	0.5
167.06947	0.7
179.77820	0.5
185.04269	0.6
193.12355	0.7
195.06711	0.5
227.05206	1.2
245.06102	0.6
247.24280	0.6
259.16858	1.8
271.04190	0.6
271.08191	0.5
283.15408	0.7
289.05374	1.7
366.60443	0.5
421.21918	7.0
463.23050	29.2
464.23587	1.8
507.22101	100.0
507.28983	6.0
508.22540	6.1
534.32556	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	507.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03945	0.7
62.34620	0.2
64.43795	0.2
69.11803	0.5
69.12227	1.0
73.23503	0.2
77.03931	0.4
77.91927	0.2
79.05489	3.4
95.04977	0.8
96.27399	0.2
103.05478	2.3
105.07032	100.0
106.07368	2.6
121.06509	3.5
122.09669	42.8
123.09969	1.3
124.22420	0.2
162.07750	0.3
163.03905	0.6
164.07092	1.3
179.24590	0.3
224.09164	4.9
224.11366	0.2
232.79066	0.2
337.05194	0.6
377.09558	0.2
392.88574	0.2
462.59052	0.2
487.40826	0.2
507.07324	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	507.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05511	4.4
56.83808	0.5
57.03443	6.2
57.06800	1.0
57.07078	19.2
61.86404	0.4
67.05511	5.5
69.07063	4.4
69.17937	3.4
71.08633	12.2
81.07072	5.4
83.08624	4.0
85.09715	0.8
85.10189	8.1
89.06020	1.0
93.07045	1.2
95.04962	0.9
95.08607	8.1
95.66345	0.5
97.10170	2.3
97.16956	0.4
98.23354	1.1
103.07593	0.7
105.03386	5.9
107.08584	0.9
109.10167	3.8
115.03690	1.9
120.96642	0.8
121.10127	0.6
123.11727	1.2
174.98416	0.6
176.99229	5.6
195.00305	100.0
196.00682	0.9
213.00081	1.0
239.23640	0.5
257.24792	0.7
269.03992	0.7
313.27356	25.2
314.27628	1.3
415.22104	0.6
489.26031	0.8
507.26834	11.4
507.33749	0.5
507.40222	0.7
508.27332	1.0
524.04547	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	507.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.7
57.03435	10.1
57.07053	4.7
66.85735	3.1
67.05508	51.2
69.07070	14.6
69.71741	12.6
73.41769	2.5
75.04477	3.6
79.05503	25.6
81.07057	50.6
81.81504	3.3
83.04975	4.2
83.08630	6.9
86.09721	5.0
91.05483	14.2
93.07053	26.4
95.08604	39.1
97.10224	3.4
98.22720	4.0
98.97852	5.5
98.98473	80.6
105.07040	10.2
106.93888	2.8
107.08598	14.4
109.10161	15.5
117.07051	4.2
119.08579	9.1
121.10157	9.5
123.11727	6.6
131.08553	5.9
133.10161	4.7
135.11751	7.7
145.10101	4.4
149.13184	5.4
155.01036	5.3
163.14818	4.1
173.02107	21.0
173.13425	2.9
184.07413	12.8
187.38504	2.8
218.31082	3.0
242.18488	2.9
243.21059	3.8
247.05771	2.9
261.22171	7.3
272.41672	2.7
335.25806	100.0
336.26111	7.2
507.40311	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	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00350	2.3
53.03944	5.4
55.01867	5.1
55.05510	16.5
57.07076	5.3
67.05507	45.6
68.99793	50.0
69.03424	8.1
69.07069	20.4
69.13316	6.2
69.13721	16.4
71.01339	4.5
71.04990	2.5
79.05495	52.5
81.03413	15.4
81.07056	45.0
83.04974	6.7
83.08607	9.3
86.09670	2.7
91.05486	42.4
93.07046	42.1
94.56302	2.6
95.01324	7.0
95.04971	43.8
95.08611	51.0
97.02877	7.2
97.06516	13.1
97.10161	6.0
99.08085	3.5
101.05813	2.8
105.07049	22.9
107.04958	11.6
107.08607	23.7
109.02903	4.8
109.06519	4.9
109.10165	10.3
111.00039	5.6
111.00805	100.0
111.04463	6.9
111.08078	4.0
115.05430	3.6
117.07019	13.8
119.08589	22.3
121.02869	7.1
121.06506	20.0
121.10145	30.4
123.04439	8.4
123.08100	5.1
123.11707	4.2
127.03922	39.4
127.57998	2.9
129.06982	9.3
131.08566	22.6
133.06493	9.4
133.10153	15.6
135.08052	19.1
135.11691	10.8
137.05939	4.8
137.09621	15.4
139.03908	10.2
141.05481	4.0
141.07014	3.6
142.07780	3.3
143.08604	8.4
145.06502	6.4
145.10120	18.0
147.04431	4.8
147.08038	4.0
147.11687	9.2
149.05977	3.5
149.09644	4.0
151.11131	6.1
155.03397	20.0
155.08539	4.6
157.05006	8.1
157.06415	5.8
157.10136	7.7
159.07959	3.9
159.11693	7.6
161.05949	7.3
161.13272	3.9
163.03897	26.9
163.07535	27.7
163.11061	3.0
165.05467	6.7
165.09097	56.9
169.10062	3.1
171.11621	6.6
173.13281	4.8
177.05565	4.0
177.09090	6.0
179.07100	3.3
181.04942	6.8
181.08553	5.4
185.09619	3.4
187.07623	6.4
187.11031	4.3
187.14763	3.4
189.05498	4.5
199.05998	4.7
203.07066	3.7
203.17984	4.7
205.08604	78.0
207.06482	3.6
213.16312	3.1
219.24107	2.7
223.09682	35.6
231.17390	3.6
249.18468	26.9
262.38309	3.2
287.03824	12.4
289.05228	6.9
291.23322	3.3
301.21704	3.6
303.04932	3.2
309.21973	4.0
327.23145	4.7
339.24939	4.2
351.23367	4.0
360.22113	3.1
411.25415	5.3
417.24155	5.3
435.25311	28.1
453.26398	76.8
454.26425	4.9
463.22742	4.1
471.27444	39.1
472.27820	3.7
489.28519	12.2
507.21857	23.5
507.29391	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01868	5.4
55.05502	9.2
57.07079	2.1
65.03944	2.7
67.05507	35.3
67.10705	1.5
68.99442	2.7
68.99792	38.9
69.03433	8.0
69.07077	15.7
70.59277	2.5
71.01341	5.0
71.04992	3.6
79.05494	40.5
81.03426	15.1
81.07059	31.4
83.04974	4.8
83.08615	7.8
85.06524	1.5
91.05479	38.7
93.06471	3.0
93.07044	39.7
93.07628	2.0
95.01311	4.9
95.04973	28.3
95.08607	34.8
97.02882	5.7
97.06545	9.2
97.10155	4.1
99.08102	1.6
101.00943	1.7
103.05463	2.4
105.03396	1.8
105.07035	20.0
107.04950	12.5
107.08590	18.7
109.02863	4.3
109.06508	2.7
109.10147	8.6
111.00805	100.0
111.04449	4.6
111.08083	5.7
115.05481	3.3
117.07041	12.8
119.04935	2.6
119.08576	15.9
121.02856	5.9
121.06502	18.5
121.10151	24.3
123.04436	6.6
123.07967	3.0
123.11723	3.8
125.05986	1.7
125.09604	2.8
126.03066	1.4
127.03927	37.0
128.06238	1.7
129.06976	8.4
131.08572	19.2
133.06497	8.0
133.10123	11.1
135.08066	13.9
135.11696	10.1
137.02368	3.7
137.05977	2.1
137.09647	7.1
139.03906	8.8
141.05473	1.9
141.06955	3.5
143.08578	4.7
145.06525	4.9
145.10130	10.5
147.04390	3.3
147.08076	5.0
147.11662	7.4
149.09630	5.0
149.13255	2.8
151.03912	3.9
151.11200	2.2
153.01817	2.6
153.05466	2.1
155.03407	18.5
155.08516	2.4
157.04955	9.4
157.06479	4.4
157.10123	3.1
159.08107	1.8
159.11720	3.5
161.05997	6.2
161.13278	2.9
163.03905	22.0
163.07552	24.3
163.11198	2.3
165.05513	2.2
165.09143	1.7
169.10175	3.5
171.11682	6.6
173.09653	1.9
175.07500	2.9
175.11174	1.9
177.09148	4.0
179.07004	2.3
181.05009	7.7
181.08601	4.4
183.11665	3.1
185.13266	3.1
187.07570	4.7
187.11137	1.7
189.05484	6.3
191.06972	1.7
195.11653	1.9
199.06015	2.8
199.07620	2.3
203.07059	3.4
203.17953	2.0
205.04866	2.2
205.08598	67.1
206.09016	2.1
207.06499	4.5
213.16454	4.6
221.18962	2.1
223.09628	28.4
231.06604	2.7
231.17433	4.9
233.08014	2.0
233.11540	2.3
249.18517	25.4
271.13333	1.5
271.93454	2.0
291.23163	2.8
301.21655	3.3
309.22021	2.6
323.23630	1.9
327.23080	5.4
329.24509	2.4
345.09637	2.7
346.19833	18.0
356.46457	1.5
393.24255	2.9
409.78708	1.5
417.24130	6.6
435.25372	31.1
436.25385	2.2
453.26331	72.7
454.26636	4.9
471.27448	35.6
472.27893	3.5
489.28412	9.0
507.22174	4.8
507.29193	19.5
507.40088	2.6
508.24985	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	507.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
54.57076	0.4
55.01876	0.6
55.05518	0.8
67.05501	5.0
68.27303	0.4
69.07077	0.8
79.05501	1.2
81.03378	0.4
81.07062	3.1
86.61317	0.4
91.05475	2.4
93.07051	3.4
95.04953	1.5
95.08610	3.9
103.05462	1.8
105.07038	1.0
107.04964	1.2
107.08615	1.6
109.06535	0.5
109.10161	6.9
119.04977	0.5
119.08593	3.4
121.06512	9.0
121.10205	0.8
122.07283	1.7
123.04417	0.6
123.11729	3.3
131.04945	1.7
132.05721	1.7
132.43169	0.4
133.02844	0.6
133.06509	0.6
135.04465	0.5
137.05972	1.3
137.09619	13.0
139.03931	0.4
145.02863	0.8
147.04419	0.5
147.11691	0.5
149.05974	1.1
149.09622	1.4
151.03906	1.0
160.05217	0.7
161.05978	1.7
163.03911	1.6
163.14682	0.4
165.09123	100.0
166.09451	3.3
167.07072	2.3
167.14337	0.8
171.75723	0.5
177.05484	2.2
177.09137	0.6
179.07050	0.9
180.07822	0.9
181.04898	0.6
187.03897	2.4
191.07043	1.2
192.07849	4.6
193.08592	0.5
203.10710	0.6
203.17879	0.5
205.12218	3.8
210.08820	0.4
264.07343	0.4
265.08365	0.4
291.23105	0.7
298.10834	1.9
321.07501	1.4
324.12274	0.6
337.23654	1.1
353.10010	1.9
371.11139	2.4
443.31421	0.6
507.22037	0.6
508.19611	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	507.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29127	0.2
52.61974	0.3
53.03945	0.6
55.05512	1.0
56.01452	0.3
57.07072	0.4
65.03947	0.3
65.52426	0.3
67.05505	5.4
69.07078	0.4
71.30219	0.4
79.05475	1.3
81.03433	0.3
81.07055	3.5
81.49319	0.3
83.04993	0.8
85.02901	0.4
91.05479	3.5
93.07053	2.5
95.04958	1.1
95.08614	4.0
97.02269	0.3
97.02899	0.3
99.04433	0.4
101.77313	0.3
103.05473	2.5
105.03339	0.4
105.04552	0.4
105.07088	1.5
107.04958	2.1
107.08585	1.4
109.06526	0.6
109.10159	7.3
117.07048	0.4
119.04938	0.6
119.07182	0.3
119.08582	3.4
121.05637	0.7
121.06508	8.4
121.10161	0.7
121.57701	0.3
122.03616	0.5
122.07298	2.3
123.04427	0.4
123.11707	2.6
129.09090	0.5
131.04950	1.9
131.08517	0.3
132.05690	1.8
133.02878	0.5
135.04408	0.5
135.08020	0.4
135.11737	0.3
137.05992	2.3
137.09624	13.6
139.03928	0.5
139.07504	0.3
145.02832	0.8
147.04410	0.6
147.11734	0.7
148.05264	0.3
149.05963	0.8
149.09598	1.1
149.13307	0.6
151.03891	1.2
151.07524	0.7
151.11273	0.3
153.09145	0.4
155.10649	0.3
157.08656	0.5
159.04404	0.5
160.05167	0.4
161.05983	1.4
163.03909	1.1
163.07541	0.3
165.09117	100.0
166.09457	3.2
167.07066	2.0
167.14333	1.3
175.07567	0.5
177.05507	2.6
177.09157	0.5
178.05011	0.4
179.07025	1.0
180.07829	1.3
181.04973	0.4
182.09372	0.5
187.03908	1.9
191.07040	2.0
191.10571	0.3
192.07823	4.5
193.08521	0.5
199.03748	0.4
201.11241	0.4
203.06921	0.4
203.10612	0.8
203.14407	0.4
205.12265	4.0
207.08182	0.4
209.08086	0.3
210.08820	0.4
219.06369	0.4
221.15390	0.6
221.19106	0.5
223.13223	0.5
229.12138	0.4
267.16159	0.4
291.23035	0.6
293.08081	0.6
298.10864	2.2
321.07675	1.6
324.12335	0.6
335.12860	0.3
337.23633	0.7
341.10269	0.6
353.10187	2.3
355.24689	0.4
371.11234	2.2
379.40451	0.3
425.30579	0.4
443.31305	0.5
489.16916	0.5
489.31802	0.6
507.13477	0.5
508.19687	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	507.3659
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
55.05480	8.4
57.07070	16.0
57.07299	3.7
63.22153	3.2
67.05505	19.2
69.07031	10.8
69.44946	7.8
69.45377	12.1
71.08600	9.0
77.04234	3.6
79.05466	10.5
81.06657	3.3
81.07051	33.6
83.08582	12.1
85.10168	4.4
89.37311	3.2
91.05437	4.8
93.07014	12.3
95.08589	17.8
97.10127	3.8
98.23360	6.8
105.07008	3.9
107.08558	7.2
109.10117	8.0
121.10045	2.7
123.11681	3.4
133.10051	3.1
149.13127	4.1
159.11786	4.6
187.47563	2.9
187.92973	3.5
195.09866	10.6
281.04156	2.8
356.04968	3.1
507.36127	100.0
508.36572	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	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19931	1.7
53.03960	4.1
54.64290	1.8
55.01873	2.1
55.05513	23.5
57.03454	3.4
57.07076	56.4
65.03929	2.5
67.05507	71.6
69.07073	31.1
71.05003	3.9
71.08630	36.0
71.28642	2.3
74.41444	2.0
79.05490	33.6
81.03425	4.8
81.07057	89.2
82.03802	2.1
82.84550	1.7
83.04988	4.7
83.08620	29.1
85.06554	6.1
85.10179	17.5
91.05475	24.5
93.07047	42.3
95.04989	5.4
95.08609	42.6
97.06546	7.0
97.10185	10.7
99.50532	2.0
105.07023	8.3
106.78136	1.8
107.08604	31.1
109.10167	23.9
111.08090	7.5
117.07050	6.9
121.10151	13.2
123.11731	12.6
131.08597	6.1
133.10129	11.9
135.11670	8.3
147.11755	2.2
149.13248	26.0
159.11685	12.1
177.12820	6.4
195.13835	11.0
239.23703	11.7
281.34900	2.0
306.03006	1.8
349.06393	1.9
416.12747	1.9
507.40503	100.0
508.40701	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	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03947	4.0
55.01883	2.0
55.05515	20.1
57.03437	3.2
57.07079	49.8
58.07392	1.0
65.03944	4.3
66.18109	1.0
67.05511	66.8
69.07073	30.7
71.05000	5.1
71.08640	36.8
73.02927	1.0
75.77531	1.0
79.05500	32.8
80.05241	0.9
81.03444	3.5
81.07063	91.2
82.07422	1.9
83.05000	5.1
83.08629	26.6
85.06573	4.0
85.10192	18.6
91.05489	17.2
91.06012	1.4
93.07050	42.2
95.02319	0.9
95.04985	4.3
95.08613	43.8
97.06537	7.8
97.10177	10.9
98.20236	1.0
99.08112	2.8
99.11729	1.3
100.26066	1.0
105.04494	1.2
105.07040	5.9
107.08604	24.6
107.09291	1.8
109.06522	1.7
109.10159	17.5
111.08074	5.4
111.11715	2.2
115.05476	1.2
117.07047	7.2
119.08598	2.3
121.10143	11.7
123.11717	11.2
131.08582	7.9
133.10130	9.8
135.08098	1.6
135.11719	9.7
137.13292	3.2
139.11212	1.3
147.11664	1.3
149.13266	28.5
151.11266	1.5
151.14874	1.1
159.11693	11.6
165.16521	1.0
167.14336	1.1
177.12718	6.9
195.13809	13.5
213.14952	2.1
221.22789	1.6
239.23705	12.5
341.72311	0.9
507.40515	100.0
508.40656	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	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
55.01878	2.5
55.05516	25.7
57.03437	4.7
57.06795	3.2
57.07080	57.8
65.03938	5.2
67.05511	80.3
69.07074	29.8
71.04996	4.6
71.08636	38.1
73.71365	1.4
75.37011	1.4
77.03928	1.8
79.05497	42.1
81.03426	3.5
81.07063	97.5
82.07408	1.8
83.04980	5.4
83.08624	28.6
85.06557	4.7
85.10191	21.4
85.28210	1.4
91.05487	23.9
93.07049	47.4
94.07366	1.7
95.04977	6.4
95.08617	48.1
96.99022	1.5
97.06541	9.0
97.10186	11.1
99.08127	2.1
105.07014	7.9
107.08598	29.3
107.09293	2.3
109.10172	19.1
111.08089	6.5
111.11727	2.3
117.07039	7.3
119.08618	2.4
121.10165	13.3
123.11717	9.2
131.08582	8.7
133.10118	10.7
135.11722	6.7
137.13258	2.5
149.13266	23.4
159.11700	11.3
177.12794	6.5
195.13811	10.5
196.14220	1.6
201.25314	1.6
239.23698	10.5
254.29439	1.7
418.43762	1.7
507.40469	100.0
508.40692	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	508.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
69.13847	0.9
69.14252	1.9
77.03916	0.5
79.05489	4.5
83.43370	0.4
83.96741	0.3
95.04967	0.5
103.05471	2.6
105.07033	100.0
106.00658	0.4
106.07366	2.2
122.09671	42.3
122.97667	0.4
123.10030	1.0
163.03908	0.6
276.77634	0.5
294.26013	0.4
340.26471	0.4
401.24387	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	508.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03944	4.9
55.01866	2.4
65.03913	1.2
69.14830	6.9
77.03914	1.8
78.04703	1.8
79.05489	10.4
81.03420	15.8
81.07053	2.1
85.02954	1.5
91.05477	14.0
91.06012	1.5
93.07056	17.5
94.04189	1.4
95.04975	6.6
103.05463	13.4
105.04520	2.8
106.04195	1.3
107.04956	19.7
107.05618	1.7
109.06535	1.1
115.05454	10.4
117.07027	5.0
119.04917	1.7
119.70775	1.2
121.06511	100.0
122.03645	1.8
122.06847	2.9
123.04430	24.1
124.05212	4.2
125.05996	2.4
131.04947	5.0
133.06476	2.2
134.03589	1.2
135.04369	1.1
137.02345	1.3
137.05981	14.6
138.09134	8.3
140.04697	3.5
143.04903	8.4
145.06499	10.7
147.04416	12.4
149.05986	5.8
151.03912	3.5
152.04686	3.2
153.01877	3.2
153.05518	1.8
155.04924	1.8
155.06018	1.3
155.07074	3.2
159.04323	1.7
161.05975	32.4
163.07556	2.4
164.07042	6.1
167.07047	81.2
168.07387	3.3
170.12799	1.1
173.06000	39.5
173.07510	2.4
174.06403	1.5
175.07550	2.9
177.05461	5.6
180.06609	1.4
181.04846	1.1
187.03853	57.9
188.04300	1.4
189.06943	1.5
190.06287	3.3
191.07016	3.5
191.08615	1.4
200.14209	1.3
201.05487	3.7
205.06837	1.9
205.08591	9.1
207.08202	1.5
207.10138	1.6
216.06540	8.6
217.04967	14.2
217.08592	3.1
219.08022	1.9
219.10115	1.3
223.07538	1.8
234.06964	1.5
235.07492	4.3
235.09686	7.1
240.08345	1.1
247.07520	2.3
249.09186	4.7
250.06320	1.8
251.07022	2.4
252.07806	2.6
258.05276	2.6
261.03949	3.8
263.07065	3.8
267.10202	2.0
275.09125	1.4
277.08432	3.0
278.05612	1.6
283.06091	1.4
286.04834	1.5
287.05066	1.2
289.03415	3.4
293.08167	2.2
295.06561	1.3
295.09537	6.3
299.09064	1.8
300.09811	1.5
301.03546	1.2
303.04977	1.5
312.09860	5.2
315.04666	1.5
315.12149	1.7
317.02963	8.5
323.10092	1.2
324.12271	29.8
324.15933	2.0
327.12265	10.8
331.04407	3.2
332.05261	34.6
336.12234	3.0
341.10236	1.7
347.07620	85.3
353.10007	6.6
354.13467	1.7
371.11240	6.8
388.13974	1.7
392.55460	1.1
478.18311	2.1
490.18671	22.4
491.19122	2.8
491.78284	1.1
508.19751	24.1
509.20108	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	508.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
53.03949	7.5
55.01856	1.4
57.07927	1.0
58.74848	1.1
60.07430	1.0
61.66016	1.0
63.74406	1.0
65.03941	1.9
69.10091	9.3
77.03933	2.5
78.04702	1.3
79.05502	3.6
81.03419	2.2
81.70499	1.3
82.37641	1.0
89.03928	2.2
90.04698	1.7
91.05487	23.3
93.07044	23.5
94.33978	1.1
95.04993	8.6
102.04742	1.7
103.05473	27.3
104.06271	3.7
105.03400	3.4
105.04508	1.9
105.07021	4.6
107.04949	8.7
115.05453	4.3
117.03391	4.7
118.04163	2.2
119.04971	5.9
119.05672	1.1
120.02106	3.7
120.05753	3.2
121.02847	1.2
121.06511	100.0
122.03658	1.4
122.06849	2.4
123.04404	1.7
124.05211	1.9
128.83180	1.1
130.04173	3.7
131.04932	31.0
132.05727	28.3
133.02849	10.9
133.06477	4.8
135.04416	7.9
136.07590	3.1
137.05966	6.8
138.09157	1.3
140.04662	1.2
142.24532	1.1
143.04932	1.3
145.02895	2.9
147.04417	9.5
148.05193	3.2
149.06041	6.4
150.05534	1.6
150.06750	1.5
151.07541	2.9
154.06277	3.0
155.07054	1.6
159.04385	5.6
160.05200	16.3
161.02357	3.7
161.05991	15.1
162.06789	14.3
163.03909	22.8
163.07535	7.5
164.07120	1.6
165.05501	7.2
167.07053	24.1
167.08369	0.8
168.07625	1.3
173.02412	1.4
173.06007	1.9
176.04643	2.7
177.05482	21.5
178.04988	5.0
178.06357	1.6
179.07030	9.5
180.07819	17.4
181.08604	3.0
182.09357	6.5
187.03918	26.4
188.04370	1.5
188.10522	1.2
191.03371	4.5
191.07039	27.4
191.08716	1.4
192.07814	85.3
193.05038	1.6
193.08556	7.6
199.03934	6.2
201.05511	1.8
205.06541	1.9
207.06575	3.6
209.08131	4.5
210.08914	5.0
217.04929	2.7
221.06049	1.6
233.06003	2.1
234.06915	1.4
235.07596	2.1
239.06714	1.2
240.07292	1.4
250.06232	1.7
253.08867	1.2
261.05475	2.2
263.07080	2.6
275.07190	1.4
278.05725	2.2
279.06491	1.8
289.05124	2.0
291.06516	1.4
292.07339	1.2
293.08078	3.3
295.09433	1.6
298.10788	19.0
309.07556	2.2
321.07553	22.3
322.08112	1.4
323.09296	1.9
324.12329	4.8
341.10251	10.3
353.10190	29.3
371.11258	33.2
372.11536	2.7
478.18381	3.2
508.19690	66.8
509.20325	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	508.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34413	0.4
51.02387	0.6
53.03951	3.7
54.27992	0.4
55.01867	0.9
56.16981	0.4
56.94360	0.5
62.37146	0.4
62.93823	0.4
65.03947	0.7
67.00647	0.5
70.45385	1.0
77.03930	1.9
78.04731	0.5
79.05486	1.3
83.06572	0.4
89.03915	2.0
90.04681	0.9
91.05486	16.5
93.07046	16.7
95.04970	5.6
103.05476	23.1
104.06263	3.2
105.03416	2.5
105.04520	2.3
105.07021	2.6
106.04178	0.8
107.04964	4.1
115.05447	1.5
117.03352	2.9
117.06979	1.0
118.04150	3.1
119.04957	3.4
120.05710	1.4
121.06509	74.7
122.06835	1.8
123.04452	0.9
130.04132	1.1
131.04933	27.3
132.05724	29.1
133.02843	5.9
133.06502	2.5
134.03636	0.7
134.05991	0.5
135.04427	1.7
136.07538	0.7
137.05977	2.0
140.04675	0.8
143.04919	0.9
145.02855	3.3
145.06467	1.1
146.03636	1.0
147.04434	4.2
148.05243	3.6
149.05983	4.7
150.05499	0.8
151.07553	1.3
155.07079	0.7
159.04430	3.7
160.05209	14.8
161.02319	0.7
161.05983	4.7
162.05537	0.8
162.06789	2.6
163.03917	6.1
163.07568	4.8
164.04642	1.3
164.06998	0.5
165.05502	3.3
167.07060	9.8
168.60468	0.6
171.04395	1.3
173.06009	1.3
175.03929	0.6
176.04701	2.6
177.05486	18.2
177.06839	0.6
178.04840	2.4
178.06363	0.7
179.07050	7.0
179.08533	0.8
180.07823	11.5
181.05057	0.9
181.08553	1.3
182.09343	2.2
187.03922	13.9
189.05511	0.5
191.05450	0.5
191.07034	30.9
192.07816	100.0
193.08200	4.0
199.03851	3.0
205.06483	0.9
207.06506	4.2
207.08083	0.5
208.07323	1.4
209.08075	1.6
210.08839	1.6
217.04994	1.0
219.08070	0.7
222.06844	0.7
233.05992	0.7
235.07607	0.6
237.05324	0.5
247.07715	0.5
249.05440	0.6
250.06250	1.0
261.05496	0.8
262.06284	0.6
263.07101	1.3
265.08496	0.7
270.11444	0.6
275.07187	0.5
278.05740	0.8
279.06644	1.1
293.08124	1.3
295.09790	1.3
298.10815	3.8
301.07004	1.0
308.06763	0.6
311.09061	0.9
313.10565	0.5
315.05164	0.7
319.10062	0.5
321.07401	2.5
324.12274	5.9
325.10757	1.2
336.12463	0.5
341.10223	12.5
342.10852	0.6
353.10187	18.3
354.10388	0.9
371.11240	17.6
372.11914	1.2
433.26923	0.6
478.18622	5.4
508.19672	52.6
509.13696	4.7
509.21298	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	508.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02390	0.7
52.03196	0.2
53.03947	2.3
55.01870	1.1
63.02388	0.5
65.03944	2.0
67.05498	1.0
69.72871	0.6
69.73254	0.7
71.01353	1.4
71.83247	0.3
73.53078	0.3
77.01902	0.3
77.03938	0.7
78.04720	0.5
79.05484	2.1
81.03426	0.6
85.02922	0.3
85.54185	0.3
89.03913	5.1
91.05481	14.2
93.03418	0.7
93.07045	10.4
95.04983	3.8
97.76098	0.3
102.04700	0.5
103.05473	10.5
105.04521	1.6
105.07021	0.5
106.04167	0.7
107.04955	6.7
108.02093	1.1
109.02942	0.3
111.04453	0.5
115.05470	0.5
117.03383	15.4
117.07068	0.4
118.04156	0.9
118.06596	0.4
119.04943	6.5
120.05737	4.5
121.06507	51.0
122.03635	0.5
122.06830	1.4
123.04443	1.1
125.05980	1.4
125.24232	0.3
131.04918	1.1
132.04448	0.6
133.02855	0.7
133.06551	0.5
134.03648	1.1
134.06018	3.3
135.04419	3.8
136.05208	0.6
136.07574	3.7
137.04971	0.6
137.05975	7.1
138.09195	0.4
141.05453	1.2
143.04904	0.6
144.04430	0.7
145.02844	46.8
145.06520	0.9
146.03468	1.2
147.04401	5.3
148.05154	0.7
149.04767	0.9
149.05966	8.1
150.06750	2.1
151.03914	55.0
151.05006	4.9
152.04317	1.0
153.05489	1.7
157.04045	0.4
158.06035	0.3
159.04453	1.1
160.05133	0.4
161.02345	0.5
161.05959	1.5
162.03123	0.5
162.05536	1.6
163.03900	1.8
164.04762	0.3
164.07042	2.0
165.05481	1.1
165.09128	2.5
166.06288	0.5
166.09419	0.9
167.07036	1.0
171.04417	0.5
173.06062	0.6
174.05487	0.7
175.03906	6.8
175.06235	0.5
175.07545	0.4
176.04591	0.8
176.07103	1.2
177.05470	100.0
178.06200	7.1
179.07045	3.5
181.05002	0.5
186.03127	1.4
186.05583	0.6
187.03879	1.0
189.05463	1.0
191.07088	0.3
192.06548	18.9
193.07318	2.3
194.08046	0.9
195.06520	3.9
195.08119	0.4
196.07292	4.3
201.05484	3.1
203.07039	0.5
206.08185	0.7
207.06534	0.7
219.06541	4.6
229.05020	1.5
233.05907	0.4
234.06813	0.3
235.07542	0.8
243.06482	0.3
250.06282	0.4
253.08563	0.6
263.07156	0.4
264.07706	0.3
265.08414	0.4
267.10193	0.4
281.08105	0.3
283.09329	0.4
284.12808	0.4
291.06564	0.8
292.86139	0.3
293.08078	0.6
295.09689	1.1
296.23172	0.3
299.09424	0.4
307.09656	0.7
312.12292	22.0
313.12601	1.1
314.13934	2.8
321.07623	1.0
323.09137	3.9
325.10483	1.4
335.09055	0.4
339.04504	0.5
339.08646	10.1
340.08917	0.5
341.10205	3.0
353.10196	3.7
356.14883	1.4
371.11252	13.8
372.11569	1.0
382.35410	0.3
457.91565	0.4
462.18521	0.5
478.18515	2.9
490.18369	0.4
508.19705	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	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03954	0.7
54.93398	0.2
65.03960	0.2
69.29381	0.8
70.34019	0.1
77.03931	0.3
81.03461	0.2
85.02882	0.2
86.09678	0.2
90.51070	0.1
91.05483	3.6
91.06018	0.3
93.07047	6.3
95.04987	1.1
103.05475	4.6
105.04526	0.6
106.69688	0.1
120.90604	0.1
121.06512	100.0
122.06835	2.5
133.04971	0.2
138.09145	29.8
139.09500	0.6
163.06053	0.2
188.56149	0.2
347.09418	0.2
493.22821	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	508.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01880	3.9
55.05518	12.8
56.06139	0.9
57.03438	7.6
57.07074	1.2
58.23597	1.1
58.55828	0.9
62.06076	2.5
64.61729	1.1
65.03951	2.3
67.05508	29.5
68.59016	0.9
69.03448	2.6
69.07073	20.3
69.07422	1.8
71.04993	4.5
71.29596	1.3
73.18856	1.0
79.05497	27.1
81.03423	3.5
81.07060	68.2
83.04995	4.5
83.08620	8.8
85.06551	3.5
91.05485	18.7
91.06020	1.6
93.07046	21.6
95.04951	8.6
95.08610	19.9
95.09161	1.4
97.06552	7.5
97.10181	2.2
98.98470	3.3
99.08096	3.6
100.65891	1.0
105.07040	19.7
107.04961	7.4
107.08591	12.7
109.06526	15.8
109.10152	7.7
111.04395	1.3
111.08092	3.6
117.07005	5.9
119.07759	2.0
119.08585	17.1
121.06508	5.1
121.10151	9.8
123.07264	1.0
123.08003	5.0
123.11718	4.6
125.09620	2.9
129.07004	3.1
131.08568	8.7
133.10133	10.5
135.08043	3.3
135.11682	5.2
137.09622	2.7
145.06497	1.1
145.10103	7.9
147.08072	1.1
147.11679	12.5
149.09622	5.6
149.13263	5.0
151.11189	1.3
157.10155	4.0
159.11653	5.1
161.09648	1.7
161.13271	1.7
163.11208	4.4
165.09119	6.0
165.12766	5.3
169.10071	1.1
171.11748	1.3
173.13263	2.3
175.11211	2.4
177.12817	2.1
179.14365	1.4
183.11719	1.1
187.11197	1.7
191.14426	2.2
193.12294	1.9
195.13824	1.9
197.13280	1.5
216.06386	1.3
219.13832	2.4
227.12828	1.5
229.19431	1.5
233.15439	1.2
239.17940	1.5
247.20590	1.3
257.19025	2.6
264.79813	1.1
265.21524	1.2
267.15750	1.2
269.17557	1.1
273.17120	1.6
275.20068	23.3
276.20178	1.2
293.21075	5.6
336.25531	2.0
349.23825	17.1
367.24838	100.0
368.25024	6.8
385.23862	1.6
408.44461	1.0
459.27240	1.6
508.29089	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	508.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92910	0.4
52.62814	0.4
53.81578	0.4
55.05504	0.7
55.62633	0.5
56.05035	0.8
58.06292	0.4
58.06608	0.9
60.07882	0.6
60.08165	6.4
63.77788	0.4
67.05499	1.4
69.07053	1.0
71.07378	3.2
74.71656	0.4
75.16109	0.4
79.05499	0.9
81.07053	1.1
86.09710	28.6
91.05496	0.5
93.07037	0.5
95.08602	0.7
98.98481	3.5
104.10754	3.5
104.22028	0.4
107.08595	0.5
125.00009	19.8
184.07350	100.0
185.07672	1.2
187.81659	0.4
203.37431	0.5
252.21588	0.4
269.42642	0.4
304.27469	0.5
336.26010	0.4
339.27893	0.4
490.33148	0.8
508.33762	2.3
508.41107	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	509.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02279	6.3
69.02714	5.5
91.72159	1.3
94.93017	100.0
96.92828	2.8
98.22652	3.3
166.91457	39.9
186.91710	1.4
202.89117	43.5
204.86998	5.6
206.86838	5.1
246.88094	2.0
259.18240	1.4
284.83731	10.1
306.90146	14.4
308.89838	1.5
344.85855	15.1
371.51965	1.5
381.08020	14.6
407.85284	2.7
418.95587	1.6
490.85663	5.5
508.86630	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	509.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02279	6.3
69.02714	5.5
91.72159	1.3
94.93017	100.0
96.92828	2.8
98.22652	3.3
166.91457	39.9
186.91710	1.4
202.89117	43.5
204.86998	5.6
206.86838	5.1
246.88094	2.0
259.18240	1.4
284.83731	10.1
306.90146	14.4
308.89838	1.5
344.85855	15.1
371.51965	1.5
381.08020	14.6
407.85284	2.7
418.95587	1.6
490.85663	5.5
508.86630	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	509.1292
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.13588	0.3
50.27802	0.3
57.03460	0.7
61.02953	1.1
69.03438	3.3
69.05496	0.7
69.05898	2.0
81.03471	1.0
84.85808	0.5
85.02914	7.4
87.04520	0.8
92.30141	0.3
93.07130	0.5
97.02914	2.4
103.03976	0.6
105.03403	0.3
109.02905	0.7
121.06556	0.5
122.03815	0.3
127.03895	1.6
128.93918	0.3
133.02881	0.3
137.02420	0.4
137.06001	0.5
139.04010	0.4
145.05035	0.9
150.03123	1.5
150.10384	0.3
151.03972	0.4
153.01845	4.5
161.05949	0.4
163.03964	0.4
163.11218	0.4
167.03497	1.2
167.07158	0.5
178.02686	0.7
184.05254	0.3
189.09206	0.9
190.63902	0.4
191.03520	0.4
205.04921	0.5
210.14981	0.5
229.05029	0.7
230.05716	0.7
233.04427	1.6
241.05241	0.3
243.02794	0.3
244.03664	0.8
245.04449	0.4
257.04532	0.8
258.05273	2.6
259.06244	0.7
261.03897	5.1
269.04517	0.6
272.03223	0.4
273.03891	0.5
275.05450	0.3
285.03842	0.5
286.04663	2.5
287.05579	1.3
289.03458	4.3
300.02658	0.4
301.03433	1.7
302.04175	0.5
303.04935	1.5
304.05649	1.7
315.04999	1.9
316.02066	0.7
317.02939	7.9
317.06531	0.6
318.03418	0.5
331.04483	5.0
332.05270	40.5
333.05640	1.7
345.06033	0.8
347.07614	100.0
348.07913	4.2
371.07816	0.6
379.62918	0.3
389.08539	2.1
407.58624	0.3
413.08658	0.3
479.12897	0.5
509.13690	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1293
Annotation	Myricetin 3',4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
61.02911	0.3
61.81961	0.3
69.02712	1.9
69.03120	0.7
69.03403	0.4
79.05479	0.4
80.59386	0.3
81.03394	0.7
85.02866	0.8
91.05478	1.3
93.07003	0.9
95.04936	0.6
103.05428	0.8
104.05807	0.6
107.04967	1.6
108.05310	0.5
115.05492	0.5
117.07052	0.3
119.04961	0.3
121.06509	5.0
122.06850	1.5
123.04446	1.4
129.06950	0.8
131.05003	0.3
133.06500	0.4
136.69556	0.2
137.02373	0.4
137.05978	1.4
138.09111	0.7
139.03856	0.5
140.04691	0.7
145.06401	0.3
147.04401	0.6
150.03082	1.1
151.03885	0.7
153.01840	4.3
153.05339	0.2
157.06459	0.9
160.05190	0.4
161.06006	1.8
162.06310	0.7
163.07652	0.3
165.01813	0.4
167.03436	0.5
167.07033	3.7
168.07362	1.2
173.05963	1.2
174.06467	0.9
177.05530	0.7
177.09171	0.3
178.02682	0.5
187.03856	2.9
187.05154	0.3
188.04187	1.8
189.09102	2.6
203.03397	0.3
205.04912	0.7
205.08640	0.3
207.10185	1.7
215.03462	0.4
216.06520	0.3
217.04961	1.1
218.05157	0.3
226.59738	0.3
229.04910	0.9
230.05626	0.5
233.04460	1.2
236.82878	0.3
241.05029	0.3
243.02809	0.7
244.03587	0.7
245.04146	0.3
250.06049	0.3
257.04453	0.7
258.05280	2.5
259.05994	0.7
261.03958	4.1
269.04355	0.5
271.02521	0.3
272.03287	0.4
273.03897	0.5
275.05435	0.3
285.03879	0.4
286.04688	2.2
287.05481	0.9
289.03473	3.9
296.10184	0.4
301.03415	1.3
302.04279	0.3
303.04907	1.6
304.05719	1.2
313.03210	0.5
313.10019	0.3
315.05005	1.2
316.01932	0.4
317.02905	9.2
318.03265	0.5
324.12231	0.9
325.12695	1.9
328.12454	0.4
331.04465	4.5
331.08157	0.5
332.05261	40.6
333.05664	1.7
347.07617	100.0
348.07938	4.9
410.91342	0.3
479.18799	0.3
491.19031	2.2
509.12616	0.5
509.20605	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	509.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
63.16174	0.5
69.03428	0.5
70.69761	1.0
73.02898	0.5
74.38268	0.4
79.05483	1.1
81.03393	0.4
87.19582	0.5
89.10740	0.5
91.05492	2.5
93.07058	0.6
95.04986	1.0
95.08601	0.9
98.23281	0.5
99.98983	0.4
102.04677	1.0
103.05439	0.5
105.03391	0.6
105.07024	0.8
107.04972	1.3
109.02911	1.0
117.07033	0.6
119.04958	1.5
121.06489	2.4
122.06906	0.5
123.04439	1.0
124.05227	7.6
130.04166	0.5
131.08603	0.5
133.06482	0.6
135.04431	1.4
137.05984	9.2
146.07259	0.5
147.04413	3.6
149.06006	1.7
150.06793	1.9
151.07561	0.8
152.08324	1.9
153.01999	0.7
159.34039	0.5
160.05176	0.5
161.05981	1.0
162.06754	4.3
164.04781	0.6
165.07054	0.5
165.09148	1.6
167.03442	1.7
177.05385	0.6
179.07053	0.6
180.07848	2.1
203.89928	0.4
212.04742	1.0
213.05566	1.0
214.06206	0.5
215.03441	0.6
216.04276	0.5
225.05475	0.7
226.06255	0.5
227.07076	0.6
228.04218	1.4
229.04964	1.1
230.05739	2.5
231.06497	0.7
232.03687	0.6
240.04231	2.2
241.05006	1.4
241.29437	0.5
242.05788	0.9
243.06635	1.7
254.05830	0.7
255.06575	3.8
256.03741	2.6
256.06635	0.7
257.04547	2.9
257.08032	0.6
258.05237	6.8
259.05966	1.3
261.04041	0.7
268.03625	1.2
270.05212	1.7
271.06061	7.4
272.06580	1.0
273.07538	4.8
281.04321	0.5
283.06052	2.1
284.03284	0.7
285.04053	0.8
286.04709	2.9
287.05490	2.9
298.04700	0.6
298.08289	0.5
299.05618	1.2
299.08942	0.9
300.06348	1.1
301.07077	36.3
302.07446	1.7
315.05005	2.6
316.05820	0.9
325.07294	0.8
327.05060	5.2
329.06613	4.0
330.07306	1.3
331.08160	1.1
341.06781	0.6
357.06152	1.2
372.11469	0.7
417.09445	0.8
421.08990	0.8
430.10522	0.9
434.10092	0.8
435.10953	1.3
445.09140	0.6
463.10260	1.3
475.10352	1.1
477.11896	0.7
479.13333	1.4
491.13541	1.0
494.12637	0.7
509.14468	100.0
510.14691	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	509.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98192	0.8
55.96999	0.7
58.11392	0.8
58.57025	0.6
62.18882	0.7
70.70140	0.7
70.84803	1.8
74.05957	0.7
82.80898	0.8
91.05476	1.1
95.04966	0.9
103.05452	2.0
107.04938	1.1
107.08590	0.9
118.04184	1.6
121.06483	0.9
125.02337	0.9
130.04112	0.9
131.04930	2.3
132.05742	1.4
135.04486	0.8
140.04707	1.6
146.03639	1.8
167.03429	4.1
167.07082	1.2
176.04736	1.2
177.05508	2.0
178.06288	2.2
191.07112	1.9
192.07730	1.3
193.05054	1.3
199.33385	0.7
217.04926	5.3
227.07033	0.9
235.62312	0.8
243.06531	6.0
256.07324	12.6
257.04587	1.3
258.05301	2.5
267.06552	2.3
271.06015	57.5
272.06735	17.3
273.07437	1.0
283.06067	1.8
284.06775	1.9
285.07510	1.8
299.05429	8.1
300.06308	30.1
301.07050	15.8
302.07449	1.1
311.05508	4.6
313.07144	2.1
325.07230	1.1
341.06570	3.6
355.08191	1.3
398.59717	0.9
417.09738	1.0
433.09299	1.4
461.08765	1.6
476.10931	1.0
479.13303	3.2
491.13364	11.2
509.14429	100.0
510.15033	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	509.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01872	0.3
64.84012	0.2
65.03955	0.2
71.30494	0.3
78.12638	0.3
79.05503	0.8
81.07056	0.6
91.05482	2.1
93.07040	0.2
95.04951	0.3
102.04683	1.7
103.05466	0.7
105.03415	0.3
105.07042	0.7
107.04958	0.6
109.02879	0.7
111.34918	0.2
115.05432	0.4
117.03376	0.3
117.32158	0.3
119.04963	2.0
119.31538	0.3
121.02897	0.5
121.06503	0.6
123.04429	0.3
124.05203	1.8
130.04166	3.4
130.92049	0.2
131.04926	1.0
132.05722	0.7
133.02890	0.7
133.06490	0.4
135.04422	1.3
137.02377	0.3
137.05980	3.6
144.05711	0.4
144.53983	0.2
145.06493	0.8
146.03625	1.0
146.07312	0.7
147.04414	6.3
148.05151	0.5
149.06003	0.4
150.06776	1.9
151.03900	0.4
151.07532	0.7
153.01834	0.4
159.04449	0.3
161.06001	2.0
162.06775	11.0
163.03934	0.7
163.07144	0.3
164.42085	0.3
167.03394	3.0
167.07045	0.4
169.06587	0.3
177.05489	0.4
179.03473	0.3
180.07788	0.5
180.84909	0.4
184.05237	0.3
185.05942	0.3
187.03970	0.3
192.08087	0.2
197.05946	0.4
201.05556	0.3
202.06371	0.3
212.04720	0.5
213.05545	0.8
214.06291	0.5
216.04214	0.4
225.05460	0.4
226.06230	0.8
227.06972	0.5
228.04230	1.8
229.04951	0.9
230.05757	1.6
231.06503	0.7
240.04158	2.0
241.04893	1.1
242.05724	1.7
243.06496	2.5
244.03651	1.1
245.08093	0.3
253.04958	1.1
254.05821	0.9
255.06557	2.6
256.03687	1.8
256.07449	0.4
257.04492	2.2
257.07129	0.3
257.08063	0.3
258.05219	4.4
259.06018	1.5
261.03894	0.5
265.04929	0.3
268.03760	1.1
269.04449	1.1
270.05185	2.1
271.06015	6.7
272.03220	1.0
272.06757	0.9
273.04407	0.4
273.07474	2.7
279.06219	0.5
280.47757	0.3
281.04694	0.5
282.05316	1.0
283.06055	2.2
284.03244	0.5
285.03967	1.1
285.07614	1.3
286.04654	1.7
287.05490	4.7
288.05969	0.4
295.06113	0.6
297.03992	0.7
297.07648	1.4
298.04822	1.2
299.05502	3.3
300.02765	0.7
300.06308	1.1
301.07077	23.8
302.07376	1.2
311.05481	0.7
312.06232	0.3
313.03531	0.6
313.07095	0.8
314.04251	0.8
314.07843	0.7
315.05005	11.2
315.08157	0.6
316.05743	2.8
327.05026	4.4
327.08429	0.3
328.05591	0.5
329.06589	5.3
330.07315	5.9
331.08090	2.2
341.06479	1.3
343.08234	0.6
353.06824	0.4
357.06052	5.6
367.08029	0.5
371.07590	1.3
399.08429	0.4
415.07895	0.4
417.09552	0.3
429.09744	0.6
430.10794	0.3
433.09250	0.7
443.07538	0.4
445.09561	0.4
447.10724	0.8
457.08810	0.4
458.10040	0.6
459.10773	0.4
461.08865	2.0
463.10352	1.1
465.11606	0.5
475.10245	2.9
476.10999	1.1
479.13428	2.7
491.13400	7.0
492.13782	0.8
493.11127	0.7
494.12637	0.3
509.14444	100.0
510.14835	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	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.2
67.05518	1.6
67.18523	0.6
69.10332	1.5
69.10748	4.7
73.90713	0.7
79.05513	1.9
81.07066	2.4
93.07040	0.9
95.04983	1.4
95.08665	0.7
97.10182	0.7
104.71210	0.6
107.04957	0.9
107.08632	1.3
109.06540	1.0
124.81692	0.7
174.48100	0.6
178.74446	0.8
219.13795	0.7
227.05406	1.3
261.18420	3.3
261.88220	0.7
270.23315	0.7
294.79984	0.8
307.14551	0.7
367.22739	1.0
385.23755	1.7
405.22525	1.1
423.23373	6.0
447.23495	1.4
465.24625	43.4
466.25259	3.7
509.23605	100.0
510.23904	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	509.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36676	2.4
55.05516	17.9
57.03432	7.4
63.86207	2.4
67.05508	29.6
68.80560	2.3
69.07084	18.2
69.20127	20.3
70.59561	2.7
71.08639	3.5
78.09422	2.7
79.05493	10.9
80.09129	2.8
81.07063	27.8
83.08603	12.0
91.05482	5.4
93.07035	10.6
95.08606	29.9
97.10157	5.5
98.98470	71.2
105.07047	5.0
107.08601	6.3
109.10150	9.6
121.10126	6.5
123.11749	4.1
133.10120	3.7
141.17662	2.6
155.01018	6.9
160.96359	2.8
169.38573	2.7
173.02118	10.2
217.80797	2.7
263.23648	2.9
333.18378	2.8
337.27365	100.0
337.31436	5.7
338.27554	6.4
363.94376	2.7
383.25726	3.6
509.36942	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	509.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51464	2.4
53.03949	8.6
55.01882	16.4
55.05516	45.5
57.03430	17.0
57.07082	2.7
61.15726	2.3
63.63953	2.2
65.03925	2.8
67.05509	61.8
69.03421	7.2
69.07074	24.3
70.44535	4.7
71.04996	23.5
77.03915	2.6
79.05499	80.1
81.03430	13.8
81.07061	75.6
83.05004	14.3
83.08631	19.6
85.02892	5.3
85.06538	5.8
87.04480	3.0
91.05484	49.3
93.07045	71.7
94.31499	2.9
95.04363	5.3
95.04974	100.0
95.08612	38.8
97.06544	15.0
97.10176	29.1
103.05456	3.6
105.04516	2.6
105.07032	32.3
107.04971	51.8
107.08610	36.0
109.06531	77.0
109.10151	20.8
111.04427	2.8
111.08091	5.3
112.95514	2.8
115.05507	3.9
117.07017	21.7
119.04925	2.7
119.08585	22.6
121.06504	33.9
121.10153	39.5
123.04442	3.1
123.08071	11.3
123.11695	7.0
125.06049	2.8
125.09650	26.9
129.07016	11.9
131.04984	5.7
131.08575	25.4
133.06487	5.6
133.10155	9.8
135.08072	25.9
135.11688	10.0
137.05992	3.2
139.11185	6.2
141.06970	5.7
143.08563	9.2
143.34909	2.3
145.06502	13.7
145.10147	21.1
147.08031	10.4
147.11713	7.3
149.09602	14.9
149.13278	3.6
153.09120	5.8
153.12772	3.5
155.08585	6.0
157.06566	4.2
157.10130	6.2
159.08081	6.1
159.10416	2.4
159.11665	7.9
161.05997	4.8
161.09613	6.3
163.11198	22.1
165.09106	4.8
167.10710	18.4
169.10176	4.0
171.11737	4.0
173.09573	3.9
173.13251	6.0
175.11159	8.2
177.12758	5.9
185.13156	3.6
187.11130	5.5
187.14742	2.9
189.11241	14.0
189.12743	4.4
191.14342	12.7
193.12227	5.3
195.11679	3.2
197.13249	3.1
199.11462	4.0
199.13330	23.5
201.12770	6.7
205.12212	9.0
211.13113	3.2
215.14282	4.8
217.14339	3.5
219.13779	43.1
223.11241	4.0
223.13257	22.0
225.12822	3.9
225.14856	3.0
227.12823	10.9
233.15363	11.0
237.14897	10.3
239.14317	3.5
267.15991	4.4
273.14685	6.0
273.17154	21.6
275.16605	4.9
293.17523	25.4
305.17084	2.8
331.20602	3.3
339.22989	7.4
349.21484	17.8
353.18982	3.0
357.24261	3.7
367.22684	48.6
368.23010	6.9
385.23743	39.4
403.24890	14.0
417.26297	8.1
435.27130	4.5
441.26334	6.4
459.27490	30.8
460.27521	4.9
473.29099	3.2
477.28403	13.6
491.30234	20.6
509.31781	14.0
517.46484	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	509.3112
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03952	1.0
55.01865	1.0
55.05508	1.7
59.61068	0.6
67.05508	8.6
68.99794	6.3
69.03439	1.4
69.07063	3.8
70.07603	0.6
70.07925	1.2
71.01350	0.7
79.05496	7.6
81.03417	100.0
81.07050	7.8
82.03759	1.5
83.05011	0.8
83.08624	2.6
85.06517	0.5
91.05477	5.3
93.07047	6.5
95.04966	8.8
95.08610	8.2
97.02859	1.3
97.06535	2.1
97.10157	0.6
105.03405	0.8
105.06995	2.6
107.04971	1.5
107.08634	2.6
109.02929	0.8
109.06525	0.6
109.10175	2.7
111.00803	22.3
111.04450	1.0
111.08099	1.7
113.02366	1.7
113.06035	0.6
117.07033	1.4
119.08600	2.1
121.02854	1.5
121.06499	4.5
121.10151	4.3
123.04421	3.6
123.11646	0.6
127.03908	10.5
129.06967	0.7
131.08563	1.6
133.06541	1.0
133.10115	2.2
135.08023	1.7
135.11688	2.5
137.05956	1.5
139.03885	3.0
145.10149	1.0
147.08063	0.8
147.11703	0.9
149.09555	0.6
149.13380	0.7
153.05498	1.0
155.03378	8.4
157.04994	1.9
159.10153	0.5
159.11632	0.8
161.06017	0.8
163.03909	4.5
163.07574	5.3
163.11160	0.6
165.05495	2.2
171.11656	0.5
177.09145	1.2
179.07039	0.9
181.04965	3.3
181.08611	1.9
187.07509	0.7
189.05455	0.8
199.06039	1.6
205.08624	9.4
207.06529	13.6
208.06841	0.5
215.17996	1.4
221.08176	0.7
223.09641	22.9
233.18962	0.7
251.20070	2.0
287.23822	0.8
303.23172	0.8
329.24594	0.7
347.26001	0.6
423.22992	0.6
437.26834	2.1
437.76828	0.5
455.27869	5.1
465.24484	2.4
473.28952	28.5
474.29315	2.2
491.29959	8.4
492.30060	1.0
509.23428	7.2
509.30743	1.5
510.23853	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	509.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05506	2.3
67.05505	3.5
69.03431	2.3
69.07076	1.1
69.13685	3.5
69.96422	0.5
70.48307	0.5
79.05482	1.0
81.07059	5.1
83.04976	1.2
83.08621	1.3
85.02911	2.9
87.04466	0.8
91.05508	3.2
93.07066	3.0
95.01433	0.6
95.04973	0.9
95.08618	4.7
97.02911	0.8
98.22624	0.9
100.11263	4.2
103.05492	1.0
105.07034	1.5
107.04942	0.7
107.08591	1.0
109.02881	1.1
109.10164	6.7
114.09187	0.5
117.06992	0.6
119.08597	2.4
121.06509	5.5
121.10145	1.6
122.06824	0.6
122.07336	1.0
123.11779	2.7
123.12482	0.6
127.03942	0.9
133.10086	0.7
137.06013	2.2
137.09612	11.6
137.13194	0.7
138.12804	0.8
141.06889	0.5
145.02855	1.0
147.04443	0.7
149.09644	2.1
149.13278	1.4
151.03912	1.4
151.07535	1.0
153.01859	1.4
165.09126	100.0
166.09479	4.5
167.03471	1.5
167.07024	1.0
177.05463	1.7
178.05795	0.6
179.06969	0.6
182.15376	0.6
184.13237	0.7
185.11772	0.9
187.13254	1.0
189.12781	0.7
201.05490	0.9
205.12216	5.2
208.08322	0.9
209.16530	0.9
210.14903	1.6
221.05676	0.9
222.06357	0.6
232.23563	0.5
235.07564	2.3
236.07994	2.6
237.08937	0.5
252.07668	0.8
253.08174	0.6
258.05298	1.1
259.06076	0.9
263.07031	3.0
264.07382	3.3
265.04965	0.9
265.08228	0.7
266.05359	1.1
280.07324	0.6
281.07541	1.4
286.04669	0.7
287.05621	0.8
289.03366	3.2
289.21686	0.6
292.06854	1.1
293.24527	0.7
295.09750	3.3
296.10068	5.2
303.05045	2.7
304.05685	2.2
308.06720	0.5
309.07187	0.9
315.05005	1.9
321.24341	1.1
323.09094	8.9
324.09464	18.3
324.13184	1.1
325.09903	1.4
331.04535	4.3
332.05270	29.0
333.05789	3.5
347.07629	55.8
348.08035	5.0
487.03333	0.6
509.12833	13.4
509.19440	0.9
509.27054	0.6
509.40961	2.7
510.13260	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	510.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23995	1.8
54.39206	1.5
61.02913	2.2
69.03437	2.0
70.90041	3.6
74.20907	1.5
85.02907	8.5
91.05492	2.3
93.56982	1.5
97.02921	1.7
117.66473	1.5
121.06464	2.1
127.59216	1.8
127.75146	1.8
145.04976	2.7
202.57983	1.6
219.10185	3.7
225.01878	3.0
253.01353	5.6
271.02383	10.3
282.51807	1.9
299.01865	29.3
299.04999	3.1
300.99866	3.8
316.02057	19.6
330.26151	2.1
331.04489	100.0
332.04941	4.6
348.27328	3.3
358.92758	1.6
449.07193	1.9
510.32541	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	510.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
53.03947	2.3
55.01875	1.0
63.02377	0.6
65.03947	1.3
69.28734	2.1
71.05057	0.3
77.03934	0.7
78.04724	0.6
81.03435	0.4
81.04500	0.3
81.07055	0.3
89.03925	6.9
91.05486	21.3
92.05824	0.4
93.03389	0.5
93.07048	13.0
94.04191	0.7
95.04973	3.6
102.04670	0.8
103.04787	0.7
103.05474	13.1
105.03410	0.9
105.04533	1.4
105.07040	0.9
106.04167	0.4
107.04979	3.0
115.05471	1.1
117.03383	21.4
117.07036	0.6
118.03692	0.5
119.04948	13.0
120.05830	1.5
121.06509	62.2
122.03650	1.3
122.06800	1.6
123.04448	0.5
124.05236	1.2
130.04149	0.9
131.04930	1.7
132.04471	0.6
133.02855	8.2
133.06535	1.1
134.03700	1.8
134.06032	2.7
135.04445	2.1
136.05193	0.9
136.07587	3.3
137.05983	17.1
138.06384	0.6
143.04927	0.8
145.02852	54.1
145.06502	3.2
146.03174	1.7
146.06017	0.5
147.04413	12.8
148.04877	0.4
149.04868	0.5
149.05988	11.3
150.06772	2.2
151.03853	0.8
151.07550	2.4
157.03981	0.4
157.06375	0.4
158.03654	1.6
160.05238	1.5
161.06004	3.7
162.03137	0.7
162.05490	1.0
162.06766	1.9
163.03906	0.9
163.07506	0.4
164.07066	1.7
165.05502	1.5
167.07068	0.4
170.03642	0.4
171.04424	0.4
173.06004	4.0
175.03941	6.3
175.07584	0.6
176.04401	0.5
176.07005	0.4
177.05476	100.0
178.05861	3.4
178.07448	0.4
179.07024	3.6
180.07785	0.9
181.06609	0.4
186.03082	1.9
186.05495	0.4
187.07739	0.4
189.05453	0.5
189.06985	0.5
192.06555	10.9
193.06938	0.5
197.04428	0.8
201.05473	44.8
202.05826	1.6
203.07040	0.4
204.06552	0.5
205.06477	1.2
206.08070	0.6
207.06401	0.4
213.05464	4.5
215.06960	0.9
217.06299	0.4
219.06439	0.7
219.08286	0.4
219.10091	0.3
221.06009	0.4
222.06763	0.5
223.07443	0.4
231.06454	2.1
233.05855	1.5
234.06763	1.7
235.07468	0.6
237.09077	0.7
237.11255	0.6
245.05827	0.4
247.91333	0.3
249.05431	0.3
249.09212	0.8
250.06274	0.7
251.06998	0.6
253.08655	0.5
261.05499	0.4
262.06250	0.9
263.07010	0.4
264.07858	0.6
265.08636	1.7
270.11285	0.4
273.05536	0.6
277.05341	0.3
277.08493	1.6
278.05841	0.5
284.80087	0.3
290.05624	0.8
291.10120	0.4
292.07254	1.0
293.08051	1.5
294.08832	0.4
295.09616	0.5
297.11191	0.4
305.08023	3.4
307.09552	1.7
309.11069	0.5
310.08215	0.4
310.14307	0.3
312.12296	22.8
313.12619	1.9
314.13898	6.2
315.14096	0.5
325.10703	12.6
326.11096	0.6
330.07452	0.5
337.10706	5.1
338.13849	0.9
342.06854	0.4
355.11755	12.3
356.14871	1.0
442.16537	0.6
462.19125	11.9
463.19238	1.0
474.18976	1.2
492.13898	0.6
492.20236	6.5
493.20102	0.7
510.21582	2.4
511.20923	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	510.2125
Annotation	erythro-Canabisine H
Peak:m/z	Relative Intensity
53.03945	2.3
55.01860	1.1
57.05477	0.5
61.53048	0.6
61.79273	0.7
65.03966	0.7
68.41220	0.5
69.81986	0.7
70.66794	1.1
77.03944	1.1
83.20955	0.6
89.03915	5.4
91.05486	19.3
93.07047	10.5
94.04218	0.9
95.04990	3.4
96.67661	0.6
102.04712	1.5
103.05482	10.3
105.03378	1.2
105.04491	0.7
107.04977	3.2
115.05432	0.8
117.03390	20.1
119.04957	11.9
120.05717	1.0
121.06510	63.1
122.03640	1.1
122.06849	1.1
122.42930	0.5
124.05160	1.0
131.04956	1.2
133.02861	6.5
133.06453	0.8
134.03612	0.7
134.06030	2.8
135.04414	1.8
136.05215	1.1
136.07585	2.8
137.05992	14.9
138.06352	0.7
138.54950	0.6
145.02849	56.6
145.06528	1.0
146.03194	1.8
147.04414	11.8
149.04826	0.6
149.05972	9.9
150.06773	2.0
151.03951	0.9
151.07536	1.6
153.44554	0.6
158.03685	1.3
160.05212	1.3
161.05971	4.1
162.05531	0.8
162.06799	2.0
163.03932	0.8
163.84251	0.6
164.07065	2.1
165.05487	0.6
173.05994	4.4
175.03912	5.2
177.05479	100.0
178.05817	3.5
179.07060	3.5
186.03166	2.0
189.07002	0.7
192.06567	11.4
201.05478	40.8
202.05774	1.7
205.06480	1.0
213.05435	5.2
219.06551	0.9
231.06496	1.5
233.06039	1.0
234.06778	0.9
237.08995	0.7
237.11226	1.2
249.05458	0.6
249.09180	0.9
250.06198	1.1
262.06125	1.0
265.08524	1.3
277.08572	1.6
288.87857	0.6
290.05655	0.7
292.07220	0.7
293.07819	0.9
305.08051	3.5
307.09628	2.3
312.12308	23.8
313.12659	1.9
314.13931	8.6
325.10696	10.1
326.10962	0.9
333.01596	0.6
336.79956	0.6
337.10709	5.2
338.13861	1.2
355.11810	11.5
356.15286	1.0
462.19141	12.6
463.19586	1.7
474.18875	1.5
492.20084	8.3
504.69101	0.6
510.21497	3.5
522.48877	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	510.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03944	2.7
55.01873	1.3
57.03447	0.6
57.10714	0.6
63.02372	0.7
65.03950	1.5
69.03416	2.0
69.70199	3.0
71.33975	0.5
77.03931	0.9
78.04728	0.7
79.05480	0.9
81.03397	2.3
81.07021	0.7
85.02901	7.0
85.77408	0.6
89.03915	6.5
91.05483	21.7
92.05775	0.6
93.07045	13.1
94.04182	1.0
95.04965	3.3
97.02891	1.8
99.04367	0.7
102.04697	0.7
103.05479	11.4
105.03412	0.6
105.04507	1.1
105.07021	1.0
107.04973	3.0
109.02860	1.6
109.06540	0.7
112.83360	0.6
115.05448	2.0
117.03381	19.8
117.07008	1.9
119.04948	12.8
120.05721	1.2
121.06508	64.3
122.03647	1.2
122.06830	1.8
123.04460	0.7
124.05242	1.1
127.03914	1.6
128.06221	2.9
129.07002	11.4
130.04094	0.6
131.04898	2.3
131.05869	0.6
131.08562	1.6
133.02844	6.8
133.06464	1.8
134.03613	1.1
134.05986	2.8
135.04414	2.0
136.07555	4.1
137.05977	20.4
138.06400	0.9
138.09148	2.0
138.56516	0.5
143.04942	1.1
145.02850	51.1
145.04805	1.6
145.06448	4.0
146.03268	1.4
147.04407	11.9
147.08040	1.0
149.04797	0.5
149.05969	10.5
150.06715	2.1
151.03867	0.6
151.07553	2.4
153.01825	4.5
155.12300	0.6
157.06497	14.3
158.03685	1.6
158.07217	1.2
159.08018	1.1
160.05156	2.0
161.05989	4.2
161.09671	0.7
162.05476	1.2
162.06758	1.7
163.03844	0.9
164.07072	1.8
165.05473	1.1
167.07031	1.5
173.05949	4.5
174.06767	9.2
175.03934	4.9
175.07539	1.7
177.05472	100.0
177.08954	2.0
178.05786	3.1
179.07088	4.1
180.07745	1.2
181.04926	0.6
186.03131	1.4
187.07500	1.9
189.09103	48.1
190.09354	1.2
192.06541	10.3
194.08055	1.0
197.11723	1.8
201.05466	42.2
202.05843	1.5
205.06540	1.2
206.08029	0.9
207.10165	40.8
208.10507	1.6
213.05460	5.0
215.07097	0.7
219.06490	0.9
219.10129	3.8
222.06828	0.7
231.06494	2.1
233.05920	1.6
234.06718	1.4
237.11287	2.4
249.09238	1.2
262.06320	0.7
263.09323	0.9
265.08640	1.8
277.08627	1.4
278.05807	0.5
290.05634	0.8
292.07150	1.2
293.07986	2.7
295.09891	0.6
305.07980	4.1
307.09604	1.5
310.35492	0.6
312.12296	24.0
313.12527	1.0
314.13873	6.4
325.10684	11.3
326.10870	0.7
337.10699	5.1
338.13782	1.5
355.11737	11.1
356.15274	1.3
400.17749	0.9
462.19104	12.1
463.19339	1.0
474.19247	0.8
492.19986	6.3
505.69189	0.6
510.20856	2.2
510.28983	1.8
511.18326	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	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
57.03434	1.6
61.02923	2.2
67.82809	0.7
69.03436	4.2
69.74036	2.8
73.15712	0.6
79.05466	0.7
81.03394	1.1
83.01299	0.8
85.02430	1.2
85.02909	14.3
91.03991	0.9
91.05479	1.5
91.68049	0.7
94.04175	1.0
97.02873	4.7
103.05490	1.5
109.02882	1.0
109.06522	1.1
115.05455	1.6
117.07002	2.8
122.03638	2.4
127.03927	1.7
128.06209	5.9
129.07014	30.3
130.07326	1.1
131.04964	4.0
131.08585	2.2
133.71980	0.7
135.97751	0.7
137.05986	31.7
143.04941	1.8
145.04970	3.2
145.06496	5.4
146.07224	0.7
155.05980	0.9
157.06505	29.7
158.07179	1.8
160.05226	1.8
161.05954	0.9
161.09612	1.1
163.07480	3.7
174.05373	1.5
174.06779	18.7
175.07561	6.8
176.08333	1.1
177.09125	3.1
180.08665	1.2
189.09116	100.0
190.09479	4.7
207.10176	49.4
208.10498	1.7
232.36896	0.8
313.14328	2.6
348.08282	0.9
473.18689	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	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.26515	0.6
57.03440	1.4
59.41529	0.6
60.04521	0.9
61.02921	2.4
69.03431	5.6
69.08790	2.1
69.09218	3.3
79.05493	1.8
81.03435	3.1
81.96883	0.6
85.02438	0.8
85.02916	13.8
87.04469	0.8
91.03944	0.9
91.05484	3.1
93.03395	0.7
93.07047	7.7
95.04948	1.1
95.08684	0.7
97.02885	4.9
103.05453	0.8
105.07038	0.7
107.04943	1.1
107.08585	1.0
109.02889	1.6
115.05444	1.5
117.07024	2.6
119.04962	1.6
119.08615	0.9
120.04478	0.7
121.06519	2.0
121.10148	6.9
123.04414	1.2
127.03920	2.6
128.06210	3.9
129.07010	26.9
130.07343	0.8
131.04953	1.9
131.08560	2.3
136.07570	5.5
137.05992	3.2
145.04985	2.6
145.06471	5.5
146.07243	0.8
147.04443	1.1
149.09648	2.1
151.03889	0.7
153.01852	2.3
157.06500	28.9
158.07219	2.3
161.05957	2.8
161.09579	1.4
163.07625	1.5
165.05496	3.0
166.05026	1.7
167.03346	1.2
168.03792	0.8
173.05951	0.8
174.05370	1.3
174.06773	19.5
175.07251	0.7
175.30609	0.6
177.05417	0.9
177.09142	3.3
180.08667	2.1
182.08138	6.2
189.09117	100.0
190.09399	3.7
201.05479	1.1
202.05954	2.0
203.06783	1.4
207.10176	78.5
208.10428	3.1
209.08194	0.8
230.05713	1.8
231.06134	2.1
241.04884	0.8
255.44032	0.6
258.05209	2.6
259.05658	4.4
284.06900	1.7
285.07129	3.7
286.07327	3.1
287.05109	1.5
287.07742	2.4
288.05966	1.3
297.03891	3.3
298.04233	7.7
301.03125	1.1
302.03741	0.9
313.06424	1.1
314.03738	1.0
314.07034	1.1
315.04340	4.0
315.07956	0.9
316.05246	5.8
317.05710	1.2
330.07199	0.9
331.04050	1.0
331.07562	2.6
332.04858	1.7
332.08017	1.9
333.05249	4.4
333.09003	0.8
345.09695	3.6
346.06046	1.0
346.10107	14.2
347.06915	15.4
347.10690	5.4
348.07416	41.3
348.11304	6.1
348.27185	0.7
349.08133	2.8
510.13013	3.4
510.31281	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	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15491	1.7
50.84740	1.7
52.98905	1.9
57.03432	2.2
61.02916	3.7
62.36457	1.6
69.03445	1.8
70.55718	3.6
73.02921	3.6
75.06854	1.9
77.85154	1.7
85.02908	13.2
91.05488	3.4
93.07053	2.3
97.02892	5.8
103.05499	8.5
105.73861	2.0
111.18517	1.9
115.05465	2.3
117.07025	4.0
119.04993	2.7
121.06508	6.8
122.03671	4.2
127.03921	3.3
128.06221	6.1
129.07028	29.9
131.04915	9.1
137.05983	51.7
141.77687	1.5
144.05661	2.4
145.02844	2.6
145.04982	2.8
145.06473	4.2
146.07382	2.2
149.15071	1.7
150.08904	1.9
151.03947	3.5
151.07582	5.0
157.06505	30.6
158.07283	2.6
159.07994	3.3
161.06052	4.1
163.07513	17.4
174.06763	16.5
175.07538	7.1
177.05487	5.9
177.09120	40.8
187.07582	2.5
189.09116	100.0
190.09512	3.7
197.82648	1.7
207.10178	51.6
219.10202	4.7
221.11674	4.8
232.24464	2.0
237.11246	11.5
313.14337	3.2
331.15417	6.4
405.61658	2.5
462.74609	2.3
469.18900	2.0
510.20639	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	510.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05512	2.8
57.03429	5.9
67.05500	5.7
67.73888	1.7
69.03429	17.2
69.69025	7.3
75.04482	7.0
79.05495	19.1
81.03424	11.8
81.07065	6.5
84.25172	1.5
85.02921	9.5
86.37840	1.8
91.05484	17.5
91.85223	1.8
93.07047	92.9
95.05024	3.7
95.08619	3.6
97.02906	7.3
99.04418	3.3
103.05488	2.8
105.04536	3.0
105.07032	11.1
107.04947	2.4
107.08590	16.8
109.02860	4.3
111.08131	3.8
115.81907	1.8
119.04939	3.2
119.08585	25.4
121.06513	3.1
121.10146	100.0
122.10513	2.6
127.03931	4.6
131.08562	7.3
133.06502	2.8
133.10077	1.8
139.11198	5.2
145.04951	4.1
147.04437	9.6
149.09627	37.0
167.10689	26.7
175.11229	2.9
217.05122	2.2
283.15393	2.4
293.13782	12.7
311.14984	14.5
433.08481	2.2
511.12149	5.9
519.85425	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	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01867	3.9
55.05513	21.9
57.03442	6.3
57.07070	1.6
59.04999	3.9
61.02938	8.1
61.50786	1.2
65.03967	1.1
67.05495	4.2
69.03433	22.3
70.06586	3.2
71.04992	28.0
73.02898	5.7
73.06553	2.1
78.10078	1.0
79.05495	8.3
81.02521	1.2
81.03040	1.3
81.03428	11.2
81.07058	55.5
83.01315	1.4
83.04983	34.6
85.02907	100.0
86.09712	2.2
87.04467	1.4
91.03954	4.3
91.05495	11.9
93.07046	57.1
95.04958	8.4
95.08596	5.2
97.02893	25.1
97.06516	2.2
99.04459	6.3
99.08120	1.2
101.06023	25.8
103.03955	5.4
105.07040	8.6
107.04903	1.1
107.08605	12.6
109.02888	11.1
109.06546	2.9
109.10215	1.3
111.04423	1.2
115.03949	1.3
117.07088	1.3
121.06536	1.8
123.04464	1.6
123.11713	14.5
125.02414	1.9
125.06000	4.0
127.03914	29.1
131.08636	1.6
133.04964	4.8
133.10118	7.7
135.11688	5.8
137.06027	1.4
145.04958	41.9
147.04457	1.3
149.05942	2.3
151.11218	8.7
153.01816	2.7
153.05472	3.1
163.06039	16.3
163.07445	2.4
167.07111	1.3
179.05569	1.1
184.16762	1.2
187.10738	1.3
209.08141	2.7
227.09200	2.7
233.10139	3.1
243.12213	2.6
245.10141	6.3
263.11301	9.6
284.16089	2.3
295.15009	1.1
325.11407	2.7
425.16702	1.6
461.65860	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
55.01865	4.0
55.05511	22.1
57.03446	5.2
59.04995	3.3
61.02928	8.1
65.03957	1.3
67.05498	3.6
69.03429	24.0
70.06583	3.7
71.01344	1.5
71.04996	28.4
71.28260	1.3
73.02920	5.4
73.06553	2.9
79.05495	8.7
81.03426	12.0
81.07057	51.4
83.04983	30.4
85.02906	100.0
86.09694	1.6
87.04469	1.7
91.03928	5.1
91.05475	11.0
93.07044	57.1
94.07380	1.6
95.04971	6.8
95.08598	6.3
97.02892	25.0
97.06520	4.6
99.04441	6.6
99.08090	1.9
101.06018	24.4
103.03960	6.6
105.07027	7.0
107.08593	10.7
109.02868	12.0
109.06544	1.8
109.10156	1.9
111.04445	2.5
115.03923	2.9
117.07030	1.1
121.06493	2.7
123.04428	1.2
123.08092	1.9
123.11715	10.1
125.05980	3.1
127.03918	29.3
133.04967	3.0
133.06487	1.4
133.10139	10.1
135.11684	4.9
145.04958	35.5
146.41180	1.2
149.05974	1.6
151.11183	8.2
153.01857	2.2
153.05475	1.8
163.03856	1.1
163.06039	15.3
163.07431	2.2
167.07056	2.1
171.06461	1.7
179.05478	1.6
181.08653	1.6
187.10779	1.3
209.08061	2.5
227.09119	2.6
233.10120	1.4
243.12280	1.4
245.10202	6.1
263.11264	5.4
284.16092	2.7
289.09235	1.4
324.57162	1.4
325.11307	2.4
369.16476	1.4
379.05777	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	510.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01877	2.9
55.05511	6.3
57.03434	6.6
64.38896	1.9
67.05517	11.0
69.03445	11.1
69.09817	14.4
71.04990	3.1
73.33356	1.7
75.04477	7.5
79.05499	25.0
81.03410	10.8
81.07062	11.0
81.13145	1.9
83.08651	2.0
85.02912	6.9
89.89822	1.7
91.05489	17.5
93.07051	98.6
94.07414	2.9
95.04970	12.4
95.08630	6.7
95.47018	1.8
97.02901	6.1
98.98463	2.2
99.04443	3.3
105.07014	10.1
107.04982	4.0
107.08602	21.2
109.02895	4.7
109.10136	2.3
111.08080	6.4
119.08572	12.1
121.06513	2.9
121.10149	100.0
123.08072	2.3
127.03879	4.9
131.08571	8.1
133.10152	4.6
137.05975	4.9
139.11212	5.0
145.04976	2.2
145.06490	3.0
149.09607	12.2
165.12781	2.3
167.10696	29.0
184.07387	3.5
191.10715	2.3
215.13965	1.8
284.89987	1.9
293.13901	5.3
311.14948	11.5
351.25223	3.3
369.26199	4.1
386.23746	2.0
424.24265	2.3
431.22110	3.8
466.24826	12.1
510.24042	48.9
510.31061	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	510.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05511	5.0
57.03438	4.9
67.05504	6.5
69.03433	12.3
69.09708	12.3
75.04485	9.0
79.05496	19.2
81.03419	11.8
81.07037	10.8
83.04954	1.9
85.02897	8.2
87.04499	1.8
91.05489	14.6
93.07044	100.0
95.04948	5.8
95.08606	6.6
97.02895	5.3
99.04420	2.0
100.41470	1.9
105.07024	10.3
107.03500	1.9
107.08604	19.8
109.02877	2.9
109.10144	2.5
111.08086	5.7
113.36626	1.5
119.08598	14.2
119.51762	1.8
121.10146	97.2
122.10524	3.5
123.11731	2.4
127.03912	4.8
131.08592	4.7
133.10159	2.0
139.11209	4.6
145.06520	2.5
149.09625	13.1
155.04224	1.6
167.10675	27.1
177.09114	5.9
293.13788	4.2
311.14874	10.9
329.15833	2.0
369.26328	1.8
424.24011	2.9
466.24933	9.6
510.24017	40.1
510.31393	3.8
511.24158	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	510.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01868	6.4
55.05512	20.3
56.05858	1.8
57.03438	10.9
57.07073	12.6
59.05001	1.7
67.05505	37.3
69.03410	4.0
69.07065	15.3
71.04992	6.5
71.08643	2.5
74.78174	1.7
79.05498	28.8
80.05843	3.1
80.50852	1.7
81.03419	17.2
81.07058	37.7
82.07415	2.0
83.04984	8.2
83.08607	9.9
85.02909	4.7
85.06541	3.4
85.10184	27.2
85.59734	1.5
91.05483	24.2
92.05818	2.7
93.07043	27.6
95.04975	17.5
95.08618	22.0
96.08948	1.9
97.02905	2.5
97.06543	5.7
97.10166	7.9
98.98529	2.5
99.04443	1.9
99.08107	2.0
105.07030	21.1
106.07344	1.7
107.04964	12.0
107.08601	15.4
108.08966	2.1
109.06537	6.5
109.10172	24.1
111.08103	5.0
113.09650	24.5
117.07042	4.9
119.08589	11.7
121.06541	4.2
121.10136	12.2
123.08051	5.8
123.11699	4.6
125.09614	5.1
129.06981	5.0
131.08565	9.4
133.06516	3.1
133.10149	16.3
135.08063	3.5
135.11685	5.3
144.56068	1.8
145.10120	4.3
147.07988	2.0
147.11699	10.0
149.09627	7.3
149.13274	2.6
151.11195	8.4
159.11731	1.8
161.09624	1.8
161.13235	2.3
163.11203	7.0
165.12761	30.2
170.17603	1.7
175.11180	3.9
175.14882	2.6
179.14413	3.3
181.12271	2.0
189.11197	3.9
193.12251	5.1
194.12740	1.9
211.13353	2.9
211.60191	1.8
227.12787	7.1
228.13188	2.6
259.20541	2.6
267.15854	9.2
277.21649	41.7
283.15543	3.7
295.22684	91.4
296.23026	5.5
338.26733	2.1
349.23593	1.7
351.25320	30.2
368.22974	3.0
369.26358	100.0
370.26749	5.3
386.23935	4.5
460.27707	4.3
475.26477	2.6
478.28214	4.7
493.27792	2.3
510.31125	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	510.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56858	0.8
51.82269	0.8
53.03952	1.7
55.01879	4.8
55.05515	18.0
57.03448	4.5
57.07086	2.1
62.06100	1.3
65.01465	0.7
65.03941	0.9
67.05507	21.8
69.03438	1.3
69.07071	9.1
71.04993	2.0
71.08627	11.8
71.29202	1.1
72.01937	0.8
76.82724	0.8
79.05497	12.1
80.49911	0.8
81.03429	2.9
81.07059	24.2
83.04990	4.3
83.08625	13.5
85.06551	1.7
85.10189	4.4
91.05489	14.6
93.07047	13.3
95.04984	5.0
95.08616	11.6
97.06547	5.5
97.10194	2.3
98.98459	4.2
99.08099	8.1
105.07035	11.4
107.04946	1.7
107.08619	8.1
109.06549	2.3
109.10162	5.0
111.08084	8.0
113.09667	3.9
117.07051	1.5
119.08588	9.3
121.10136	8.2
123.08138	1.6
123.11716	3.7
125.09657	1.5
129.07005	1.9
131.08592	3.3
133.10136	7.3
135.08109	1.0
135.11722	3.5
137.09705	1.1
137.13174	0.9
139.11188	2.2
145.10127	1.9
147.11697	9.9
149.09648	2.4
149.13264	4.8
151.11237	3.8
157.10135	2.1
159.11670	1.8
161.13275	3.1
163.11211	2.8
165.12759	10.0
167.14323	1.2
173.02208	0.9
175.11156	1.9
179.14331	2.1
185.13336	0.9
192.62935	0.9
193.12325	2.0
220.29973	0.9
231.21124	1.4
241.19624	1.0
245.38673	0.8
249.22105	1.0
259.20618	1.7
277.21652	26.4
295.22787	8.9
320.25922	1.9
338.27026	1.3
351.25327	19.8
351.29306	0.8
352.25525	1.8
369.26364	100.0
370.26682	7.7
431.21786	5.3
449.22589	1.0
457.41681	0.9
474.26343	1.5
492.27179	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	510.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
55.06609	0.8
56.05032	1.2
57.07070	3.0
58.06610	1.7
60.08169	16.0
67.05505	1.6
68.75140	0.7
69.05749	1.8
69.06156	3.6
69.07066	0.7
69.69136	0.6
70.06591	1.0
71.07372	6.7
71.08631	2.5
81.07061	1.0
85.10210	0.7
86.09708	55.0
87.10004	1.0
95.08607	2.0
98.98462	4.2
104.10748	100.0
105.11057	1.2
109.10176	0.6
121.06506	0.7
125.00009	29.3
163.01601	0.7
177.11406	0.7
184.07350	97.1
185.07661	1.5
258.11133	1.9
313.27551	1.4
327.28894	1.6
432.37885	0.8
433.27414	1.1
492.34494	7.1
493.34799	0.8
510.35620	22.9
511.36392	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	510.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
55.84059	0.3
56.05033	1.3
57.03439	0.4
57.07075	3.3
58.06591	1.5
60.08165	16.9
61.08470	0.3
67.05524	0.6
69.07064	1.2
70.06577	0.3
70.24984	0.4
70.57533	0.7
71.07374	6.2
71.08640	1.6
72.52858	0.3
81.07063	1.3
85.10185	1.0
86.09707	49.7
87.10028	1.0
95.08610	1.6
97.10160	0.6
98.66068	0.3
98.98471	4.1
104.10744	100.0
105.11092	1.1
109.10138	0.5
125.00004	28.6
126.00341	0.4
132.89253	0.3
143.01115	0.5
148.78156	0.3
163.01569	0.8
181.02838	0.3
184.07343	99.6
185.07646	1.4
258.11063	1.0
327.29031	1.5
433.27402	0.4
462.73077	0.3
492.34464	8.0
493.34866	0.7
510.35577	24.0
511.35904	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	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91003	2.1
55.05507	4.7
57.03441	5.2
57.06831	3.0
57.07073	24.3
58.06606	2.4
60.08165	13.2
61.02876	2.2
65.51724	2.2
67.05505	9.4
69.07075	4.8
71.07366	8.4
71.08623	15.0
75.73833	2.5
81.07050	11.1
83.08621	7.9
85.10190	13.3
86.09711	47.3
93.07053	2.5
95.08607	13.6
97.10180	4.2
98.98466	3.7
104.10746	100.0
107.08614	4.9
109.10165	7.8
112.77837	2.7
123.11729	6.6
125.00021	26.6
126.63044	2.5
145.25957	2.6
184.07339	90.6
208.21204	2.4
239.23721	16.5
257.24786	4.5
313.27341	50.6
331.28461	4.0
338.27594	2.6
360.82538	2.5
406.98636	2.7
465.99698	2.4
492.34363	9.3
510.35577	30.3
511.36133	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	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16507	3.6
55.05503	6.0
57.07082	32.5
64.43698	3.0
67.05500	8.0
69.07063	11.1
69.62815	3.0
71.08635	25.5
71.29891	3.6
81.07056	5.0
83.08614	4.8
85.10185	21.4
87.04482	4.3
89.05484	5.3
89.06036	100.0
95.08622	6.3
97.10172	7.6
113.13224	3.8
133.08603	41.4
177.11215	15.2
239.14925	5.2
261.78604	3.7
276.13785	3.7
283.17545	11.8
493.40863	11.5
510.38028	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	511.1446
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.67791	1.5
53.03936	2.9
55.01883	2.7
57.19492	1.5
65.03950	1.9
69.03435	3.4
69.28532	6.8
69.28934	3.4
70.06621	1.7
73.02917	14.2
79.01867	5.3
81.03420	5.1
85.02898	4.6
91.05489	2.0
97.02901	6.5
98.22648	3.1
107.01324	3.5
108.02032	2.0
109.02858	5.4
119.33662	1.4
121.06518	1.5
123.04410	2.1
125.02358	4.7
125.05994	14.2
127.03905	7.5
135.81206	1.4
143.03397	7.1
146.06021	2.0
151.03900	47.4
151.04977	3.0
152.04312	2.2
153.01828	100.0
153.02921	6.7
154.02219	2.9
154.05423	1.4
163.07501	2.1
171.02913	11.0
179.07051	11.4
190.08589	1.8
191.07077	4.1
197.08083	47.9
198.08434	3.3
208.09729	8.0
297.05963	3.5
315.07135	4.1
342.13171	1.7
349.13858	1.6
387.41431	1.5
511.14084	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	511.3271
Annotation	Palythoalone A
Peak:m/z	Relative Intensity
51.02388	0.7
53.03952	1.8
55.01873	1.4
55.05512	3.2
57.03425	0.7
57.07080	0.7
59.59083	0.5
60.84597	0.6
63.41876	0.6
67.05511	9.9
68.99792	8.0
69.01072	5.5
69.03429	1.6
69.07069	5.8
71.01354	1.8
71.04995	1.4
79.05500	8.5
81.03421	100.0
81.07056	11.9
82.03757	0.9
83.08627	1.7
85.02899	0.8
85.06540	0.7
88.20339	0.6
91.05489	5.7
93.07041	7.1
95.04976	13.9
95.08613	11.4
95.09222	0.4
95.36158	0.6
97.02904	1.1
97.06512	3.1
97.10150	1.5
99.04493	0.7
105.07037	3.9
107.04977	1.8
107.08605	3.7
109.06515	1.4
109.10158	3.6
111.00037	1.4
111.00806	24.3
111.04460	1.5
111.08083	0.8
113.02393	1.0
113.06008	0.8
117.07014	1.4
119.08615	2.6
121.02891	1.6
121.06509	5.2
121.10137	3.8
123.04456	3.0
123.11694	1.5
127.03922	11.3
129.06978	1.5
129.68739	0.6
131.08600	1.9
133.06499	1.0
133.10170	1.8
135.08083	3.5
135.11717	3.3
137.02306	1.0
137.05988	1.9
137.13203	0.7
139.03918	4.4
145.06502	1.2
145.10127	1.7
147.08047	0.6
147.11723	0.9
149.13286	1.0
153.01805	0.8
153.05472	1.4
155.03398	11.8
155.04568	1.1
157.04977	2.3
159.08044	0.7
159.11760	0.7
161.06007	1.3
161.13326	1.0
163.03938	4.4
163.07547	6.2
165.05507	1.9
165.09053	0.7
169.04984	0.8
171.11699	0.9
175.14751	0.7
177.09134	1.1
179.07094	0.9
181.04956	3.8
181.08588	2.4
185.09850	0.7
187.07556	1.0
189.05492	1.0
195.06593	1.0
199.06042	1.9
205.08603	9.6
207.06534	10.5
217.19601	0.7
217.43739	0.6
221.08110	0.9
223.09650	19.1
225.07628	1.8
253.21620	0.9
277.25311	0.8
305.24759	0.9
308.17316	0.7
313.25198	0.6
331.26355	1.0
421.27606	0.9
439.28564	3.4
457.29562	13.9
458.29840	0.9
475.30569	34.2
476.31024	1.9
493.31677	4.3
511.24973	0.7
511.32455	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	512.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03930	0.4
55.01861	0.9
57.03419	1.1
65.25426	0.4
67.05477	1.1
68.99793	2.5
69.03416	0.6
70.04713	1.6
70.06597	3.8
78.51448	0.4
79.01826	0.6
79.05471	1.5
81.03390	0.5
81.07039	1.6
83.01334	0.7
86.19122	0.4
88.06610	0.4
88.40629	0.4
91.05492	2.7
93.07030	1.1
95.04963	2.7
95.08595	0.8
97.02925	0.5
103.05426	0.6
105.03383	0.9
105.07037	1.9
107.04990	2.6
107.08579	1.3
109.02865	0.7
114.46823	0.4
115.05440	1.3
117.07023	4.1
119.04920	1.3
119.08562	0.5
121.06522	4.1
123.04436	21.6
125.02366	0.5
129.06989	1.4
131.04918	0.6
133.06551	0.5
135.04434	2.6
135.08057	4.0
136.07582	3.1
137.05923	1.0
139.03848	0.7
145.06467	2.9
146.05890	0.5
147.04413	9.5
147.08018	1.5
149.06021	3.8
151.03960	1.9
151.07484	0.5
153.01830	8.2
153.02892	0.5
157.06503	3.6
157.42174	0.4
161.06013	2.3
162.09138	0.6
163.03909	2.3
163.07538	14.7
165.05441	2.5
165.63982	0.5
167.07030	1.7
173.05984	8.0
175.03893	0.8
175.07555	3.0
176.04706	0.6
177.05486	1.3
179.07028	7.4
185.06032	3.6
186.06502	0.5
187.07516	0.8
188.07106	1.1
189.05507	2.9
190.08638	15.3
191.07039	57.6
192.07362	1.8
196.09682	0.7
202.08604	0.6
203.07027	12.5
204.07506	0.5
208.09695	100.0
209.10010	3.1
215.06955	0.6
220.09682	13.1
230.09216	0.4
255.06375	0.4
269.96799	0.4
307.09756	1.3
324.12152	0.5
325.10666	7.8
342.13351	18.7
343.14005	0.9
360.14432	2.9
399.90555	0.4
418.46582	0.5
443.20102	0.4
512.15546	16.1
513.15961	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	512.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
55.01856	1.0
57.03423	1.3
65.03934	0.4
67.05495	0.9
68.99798	2.4
69.03419	0.6
69.13129	2.1
70.06593	4.4
77.03918	0.5
79.01844	1.1
79.05503	1.9
81.03397	0.9
81.07040	1.3
83.01321	1.2
83.04985	0.4
91.05486	3.0
92.05791	0.4
93.07021	1.5
93.72363	0.3
95.04976	3.8
95.08587	0.9
97.02882	0.3
97.99352	0.4
103.05442	0.6
105.03398	0.8
105.07030	2.0
107.04973	1.9
107.08597	1.6
109.02888	0.4
109.06480	0.6
113.81484	0.3
115.05421	1.8
117.07017	4.5
119.04933	1.3
119.08607	0.4
121.02866	0.3
121.06500	4.3
123.04434	22.6
124.04723	0.4
125.02357	0.8
129.06976	1.9
131.04906	0.5
133.06499	0.6
134.03593	0.3
135.04431	2.5
135.08060	3.9
136.07585	2.3
137.02382	0.4
137.05959	1.5
139.03842	0.3
139.65926	0.3
143.03421	0.9
143.04877	0.4
145.06485	3.9
147.04414	9.1
147.08023	1.1
148.05159	0.7
149.06021	3.3
151.03867	2.1
153.01836	9.7
153.02930	0.7
157.06505	3.9
161.06018	2.3
162.09077	0.5
163.03943	1.5
163.07542	15.3
164.07956	0.5
165.05511	2.4
165.12764	0.4
167.07033	1.1
171.02924	0.5
173.05975	7.6
175.03914	1.4
175.07530	3.0
176.04698	0.8
177.05440	1.5
179.07043	6.4
185.05983	3.2
187.07576	0.9
188.07045	0.9
189.05455	3.0
189.09105	0.4
190.08644	14.4
191.07039	55.8
192.07364	1.3
193.08592	0.5
196.09756	0.9
202.08591	0.5
203.07033	10.7
204.07420	0.7
208.09695	100.0
209.10059	3.2
212.05682	0.3
215.06918	0.5
220.09692	11.8
265.08456	0.4
279.10257	0.8
283.09537	0.5
297.11224	0.5
299.09265	0.4
307.09744	1.2
315.07117	0.6
324.12033	0.5
325.10687	8.4
342.13367	19.0
343.13959	0.5
360.14404	3.3
401.44974	0.3
495.12738	0.5
512.15479	20.3
513.15863	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	512.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01874	0.6
57.03440	0.6
61.02917	1.3
62.09140	0.5
67.06269	0.5
69.03439	4.8
71.27681	0.6
79.01862	2.7
81.03418	7.7
85.02911	12.0
86.06065	1.0
97.02895	8.1
99.04459	1.0
107.01324	2.2
109.02891	8.0
110.07158	0.9
121.06529	3.7
125.02340	4.2
127.03919	14.5
132.10222	0.9
138.09135	1.1
143.03403	3.7
145.04967	5.1
153.01836	100.0
154.02213	2.9
160.14638	0.6
163.06087	1.3
171.02893	31.3
172.03264	1.0
183.39734	0.5
233.11258	0.6
279.05005	0.7
297.06094	7.6
315.07101	14.4
455.52335	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	512.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.09717	0.6
57.03445	0.6
57.48148	0.6
63.25395	0.6
65.03931	1.4
65.50829	0.6
65.77147	0.5
69.03424	1.3
71.69875	0.5
79.01852	0.6
81.03411	1.6
85.02914	6.7
91.05490	4.3
93.07059	6.3
95.04943	1.4
97.02890	2.6
103.05479	4.7
105.04507	0.9
107.01331	1.4
108.50462	0.5
109.02898	3.8
111.04480	2.8
121.06512	100.0
122.06852	2.9
125.02372	0.9
127.03915	8.4
138.09149	23.7
138.10210	1.3
139.03903	8.3
139.09464	0.7
145.04956	1.7
153.01820	7.2
153.02971	0.8
171.01506	1.1
171.02907	16.6
171.06522	11.2
191.09557	0.6
260.78076	0.6
315.07352	0.6
318.46841	0.6
333.08496	0.5
353.33438	0.6
382.28696	0.6
390.32947	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	512.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
79.05494	4.2
81.03418	0.8
95.04995	0.8
96.44894	0.5
103.05476	3.2
105.07033	100.0
106.07378	1.9
109.02889	0.7
122.09671	46.1
127.03918	1.6
145.29869	0.5
170.55336	0.5
207.02962	0.7
217.01370	0.7
231.02715	0.7
235.02351	1.7
245.00821	0.6
247.02557	0.8
273.00320	0.9
291.01263	0.6
305.03403	0.5
369.28125	0.6
445.33630	0.5
512.18018	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	512.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
54.64880	0.7
55.05511	1.3
56.05022	1.2
58.99586	8.1
69.03423	1.6
69.11235	3.0
69.11660	1.6
70.02930	0.7
70.06584	1.9
72.08147	1.6
76.02235	29.1
76.04007	2.1
79.05487	1.4
81.03430	0.7
83.04994	9.1
83.06107	3.1
84.04514	13.4
86.01166	0.6
86.99064	2.6
88.02222	1.1
91.05478	2.0
93.07040	2.4
97.06496	0.8
98.00597	0.7
99.05592	1.5
100.02214	4.3
101.00591	0.9
102.05524	0.8
102.63771	0.6
103.05473	0.7
105.07062	2.9
105.07671	0.6
107.04949	1.0
107.08591	2.5
109.02873	0.9
109.06532	1.3
109.07632	4.1
109.10150	0.9
111.02678	2.2
112.03976	0.7
114.03790	0.8
116.01690	14.7
117.07006	4.3
119.08623	4.2
121.06504	4.6
121.10186	3.7
123.08068	1.1
124.02238	0.6
125.04240	2.7
126.03746	1.0
129.06677	2.1
130.05025	4.5
130.07808	1.4
131.08553	1.4
133.10158	1.3
135.08069	3.2
135.11705	6.3
136.03946	1.1
137.04250	2.8
137.09612	1.6
139.02130	3.1
141.04839	1.7
142.03221	9.7
143.08565	0.8
144.01147	7.3
144.09361	1.6
145.02863	1.8
145.06085	5.4
145.10127	3.2
147.08028	0.9
149.06001	1.6
153.03673	3.3
153.06590	2.4
154.05029	0.7
155.08156	5.2
159.11679	4.1
161.09634	1.6
162.02216	16.8
162.10405	1.2
163.05850	1.1
163.07561	0.8
163.11197	28.0
164.11617	1.2
165.03716	11.9
166.08638	0.8
170.02722	3.1
172.08897	0.8
177.03343	1.4
177.05476	3.2
177.09160	1.7
177.12737	1.5
179.04881	18.4
181.03113	1.2
181.06122	1.3
182.06442	0.8
187.05432	4.7
187.07047	0.9
187.11208	1.6
193.03214	2.8
195.08403	2.3
195.10181	1.4
199.05435	1.4
199.07175	2.4
203.04884	9.8
204.04816	0.6
205.08667	0.9
205.12253	16.2
206.06383	3.7
211.07149	1.1
215.04898	1.2
219.08374	0.8
223.09689	2.4
227.04868	2.9
233.05910	10.2
237.09416	7.6
241.10852	0.9
245.05949	16.6
245.09819	1.0
252.06912	1.4
257.07709	2.6
262.12619	2.4
266.08350	0.8
273.09622	1.2
280.13757	0.8
308.09116	4.8
308.12869	1.3
309.09055	1.8
319.14758	1.6
323.09201	1.0
325.12213	0.9
334.16479	0.6
365.15326	100.0
366.15640	7.5
383.16138	2.8
437.17456	23.4
438.17706	2.2
449.17480	1.9
494.19302	1.3
495.17996	1.1
512.20697	11.4
512.27563	1.4
513.20483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
53.03948	0.8
61.38736	0.2
69.60401	0.9
77.03931	0.3
79.05493	3.7
80.45616	0.2
90.91782	0.2
95.04984	0.6
103.05466	2.6
105.07034	100.0
106.07388	2.5
122.09672	45.0
123.09993	1.2
167.07059	0.5
207.68642	0.2
250.28084	0.3
282.79544	0.2
283.31833	0.2
293.11743	0.2
504.20227	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	512.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.2
61.02931	8.8
67.05515	6.2
69.03430	20.7
69.56019	4.5
70.06605	9.6
71.04993	15.9
73.02914	9.2
79.05493	10.0
81.03419	13.2
81.07058	50.3
81.79237	3.9
85.02911	100.0
85.06559	14.4
91.03986	6.3
91.05495	13.9
93.07052	50.0
95.08623	10.2
97.02890	31.3
107.08600	31.7
107.27000	4.2
109.02873	14.0
115.03976	7.3
116.07134	4.4
125.02403	4.5
127.03938	23.7
133.04970	22.8
135.11716	56.9
137.13269	10.1
145.04950	51.0
153.01866	30.0
153.03026	5.8
163.06024	27.6
177.05530	4.0
179.05507	34.1
209.04530	8.8
283.47855	3.8
308.21909	4.1
323.09232	5.7
325.11472	6.8
369.11148	6.6
391.01782	4.4
512.16614	5.1
512.26947	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	512.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07106	0.4
60.04514	0.4
63.02347	0.9
64.56261	0.3
69.79393	1.2
70.06586	0.9
70.21857	0.4
72.08160	20.1
78.04675	0.5
85.02896	1.1
89.03918	9.9
89.10767	0.8
91.05450	0.7
98.06039	0.6
106.04167	0.5
113.26646	0.4
117.03385	31.5
118.03715	0.4
126.12794	6.3
134.03668	2.0
135.04416	2.1
143.15443	3.1
145.02853	84.1
146.03203	2.5
149.05994	9.3
153.12740	1.4
163.03902	1.4
169.13356	1.5
177.05473	100.0
178.05843	2.7
186.05528	0.8
186.15982	0.8
186.95851	0.4
243.85347	0.4
248.12823	9.5
249.13158	0.6
265.15533	2.6
303.21747	0.3
313.30099	0.4
318.21756	1.4
319.20135	8.5
320.20337	0.7
336.22812	14.5
337.23047	0.8
362.20712	2.0
512.27563	82.8
513.27826	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	512.2759
Annotation	Tyropeptin A
Peak:m/z	Relative Intensity
59.93496	0.3
60.04524	0.4
63.02370	0.8
69.13361	1.5
70.06598	1.8
72.08159	17.9
78.04691	0.4
81.03419	0.3
84.08122	0.4
85.02924	0.3
86.09711	0.6
89.03922	9.7
89.10780	0.9
91.05495	0.4
97.02880	0.4
98.06058	0.3
98.23417	0.5
103.05499	0.3
106.04173	0.6
109.02904	0.6
115.08733	0.4
117.03387	28.8
117.07030	0.3
118.03699	0.8
121.06525	0.6
126.12799	5.3
134.03659	1.7
135.04422	1.3
143.15442	1.8
145.02855	76.7
146.03177	1.7
149.05981	8.6
150.06322	0.4
163.03859	0.7
169.13394	1.5
177.05476	100.0
178.05806	3.2
186.05478	0.7
186.16093	0.6
242.77534	0.3
247.14447	0.4
248.12827	9.4
249.13069	0.5
265.15479	2.3
318.21878	1.3
319.20172	8.0
319.23920	0.4
320.20474	0.6
323.09164	1.0
336.18698	0.6
336.22812	12.9
337.23242	0.7
350.13812	0.4
350.28851	0.4
362.20593	1.9
512.27582	82.7
513.27905	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	513.2827
Annotation	Seemarin
Peak:m/z	Relative Intensity
57.06372	0.4
67.05508	0.9
68.86245	0.4
71.04985	0.4
71.35004	0.4
71.87875	0.4
79.05492	0.6
81.07068	0.8
91.05489	0.8
93.07069	0.7
109.10140	0.5
126.03304	0.4
187.19310	0.4
240.60535	0.5
298.81580	0.4
308.08359	0.4
309.31879	0.5
359.22159	0.5
409.26926	0.5
451.28256	0.8
471.23190	0.4
495.27188	22.5
496.27600	2.1
513.28247	100.0
514.28638	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58876	7.1
55.05507	13.9
57.33780	7.4
61.02926	18.6
67.05513	38.5
69.03417	8.3
69.07056	13.2
73.02917	11.9
79.05489	33.0
81.03416	8.0
81.07048	33.5
85.02875	12.8
90.73739	8.2
91.05479	42.3
93.07046	43.4
95.08612	24.1
95.94673	7.9
98.23404	16.1
105.07049	29.4
107.08572	22.2
109.10130	15.7
112.27316	8.1
119.08588	36.4
121.06518	7.0
121.10144	13.7
121.28002	6.6
129.06973	11.5
131.08600	18.8
133.10132	27.0
135.11736	9.8
143.08597	14.0
145.10123	19.5
147.11685	26.9
159.11717	13.3
173.13310	11.3
193.75301	8.4
228.85248	9.9
241.19495	13.0
259.20587	49.3
260.21082	8.8
303.29233	9.3
351.25299	74.9
457.17844	8.3
459.27335	9.1
495.27689	12.2
513.28326	100.0
513.34833	14.3
514.29779	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	514.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94781	3.6
91.05494	25.4
93.38148	1.9
95.04975	10.2
98.66364	2.0
99.18318	2.1
101.00895	2.4
119.04958	30.3
121.06519	7.1
123.04438	48.6
136.07587	100.0
137.07930	3.6
143.01900	9.5
147.04427	15.1
161.02950	5.6
165.05492	67.1
171.02892	2.2
182.08147	87.5
183.08456	2.5
203.03917	2.7
263.06100	2.7
317.62643	2.4
325.36667	2.1
522.04773	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	514.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44445	3.7
53.03941	4.6
53.77729	3.4
55.05503	6.7
57.03443	9.6
67.05520	4.5
69.03429	18.0
69.07056	4.1
69.34911	21.0
70.06584	3.8
71.50708	3.6
72.08168	4.6
73.09309	3.4
75.04455	4.4
75.12059	3.5
79.05499	17.7
81.03419	18.2
81.07072	8.7
85.02915	14.0
91.05486	20.3
93.07044	96.4
95.04961	5.0
95.08597	6.9
97.02895	11.2
98.22591	6.1
104.10832	4.0
105.07043	11.9
107.08591	19.8
109.02883	14.4
109.10136	7.6
117.03379	8.5
119.08598	28.4
121.06498	8.9
121.10142	100.0
127.03925	8.4
131.08580	8.1
133.10168	8.8
139.11218	6.5
145.02843	23.2
149.09639	33.4
154.89011	4.2
164.29327	3.9
167.10660	26.4
177.05476	36.3
187.07368	4.5
191.14339	9.4
209.15402	10.9
276.82733	4.2
293.13855	9.5
311.14807	7.8
463.30994	6.5
472.31689	26.8
483.80945	11.0
484.30865	7.8
502.58173	4.4
514.27917	4.1
515.18884	15.0
515.27747	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	12.6
67.05524	9.4
69.03413	12.1
69.07047	9.9
69.21651	15.8
69.21969	55.9
70.06599	15.1
72.08157	36.0
81.03423	100.0
81.07060	15.0
83.08620	21.1
86.09728	57.6
88.84929	8.1
89.03917	10.3
91.05462	18.7
93.07069	8.2
95.04975	30.9
97.02869	9.3
100.59561	7.4
105.07038	14.1
109.02877	13.6
114.09167	13.2
117.03381	11.5
119.08584	15.0
121.06528	10.8
121.10141	11.4
127.03942	9.6
131.08553	9.4
145.02843	27.1
146.03195	22.0
147.08025	9.6
153.01843	27.6
157.10173	13.0
169.04782	20.6
172.25507	8.2
173.90625	9.0
175.11237	15.2
177.05490	29.7
178.05865	20.8
185.16376	10.3
191.26926	10.5
193.12256	79.5
211.13341	10.5
213.15979	11.8
246.67891	7.1
267.15894	55.2
285.16980	83.9
324.09586	10.6
358.09048	8.3
514.13062	90.8
514.28418	59.5
515.13409	13.1
515.20471	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	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.7
55.05519	4.6
56.56591	3.5
57.03445	3.7
67.05506	14.7
69.03424	6.2
69.07055	3.9
69.08302	24.6
70.06588	10.6
72.08163	12.1
79.05505	16.6
79.42525	3.5
81.03420	100.0
81.03861	6.5
81.07055	15.3
82.03776	3.8
83.08637	25.1
85.02892	5.0
86.09711	27.2
91.05499	15.6
93.07059	19.2
95.04980	38.4
95.08594	4.0
97.02917	6.1
99.37901	4.2
102.65865	5.3
105.07019	10.7
107.04996	5.5
107.08558	6.2
108.81202	3.6
111.08088	13.3
119.08590	12.3
121.10151	13.0
123.04427	5.3
129.07018	7.8
131.08549	9.6
133.06487	5.9
133.10135	7.6
136.65118	4.2
137.09605	5.6
139.03917	4.4
143.08249	3.5
147.11748	6.5
149.09535	6.0
157.10107	8.3
163.04005	3.9
165.09091	5.7
173.01971	5.0
175.11243	11.4
185.16550	12.7
193.12260	80.0
194.12489	4.0
211.13385	11.1
213.16095	9.2
235.13139	4.3
267.15982	32.7
268.16275	5.0
285.16931	98.6
301.14502	3.7
309.16861	5.6
326.24387	5.7
363.18271	4.3
452.19553	4.8
514.19513	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	514.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76397	7.6
53.98447	12.2
59.15560	8.8
67.05503	13.9
69.03432	20.4
71.29855	12.9
79.05489	15.1
81.07056	29.2
82.80623	11.2
85.02914	20.5
91.05488	14.5
93.07064	17.9
95.08598	24.6
105.07079	20.8
107.08601	29.6
109.10181	27.1
121.10162	21.4
125.06006	21.1
131.37430	9.1
145.02858	18.0
145.10246	10.6
177.05475	38.4
219.13905	12.5
253.19751	8.8
271.20493	15.4
299.20068	21.7
304.55920	8.5
317.21161	100.0
425.16608	11.0
514.13867	44.5
514.29712	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	514.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22435	1.7
53.03968	2.4
55.05511	8.4
57.11493	1.7
59.05003	1.8
61.02929	2.6
67.05507	12.0
69.03443	11.6
69.07079	18.9
70.43856	3.1
71.05000	1.7
71.44434	1.9
79.05504	17.3
79.64017	1.8
81.07060	29.0
83.04996	2.2
83.08612	4.7
84.08138	3.0
85.02919	8.0
91.05485	8.8
91.56692	1.7
93.07061	20.9
95.04975	2.6
95.08617	36.7
97.02904	3.8
97.06535	4.5
97.10177	6.4
105.07047	33.7
107.04977	4.0
107.08591	27.0
109.06542	3.9
109.10165	27.4
111.11710	4.4
112.06850	2.1
112.07622	40.1
117.07051	1.9
119.08598	36.3
121.06547	3.0
121.10142	25.3
123.11709	6.6
125.06006	24.2
127.03914	3.6
131.08572	7.9
133.10133	19.4
135.11682	12.3
137.06036	3.3
137.13271	3.0
141.09161	2.3
145.05002	2.8
145.10159	17.4
147.11699	16.6
149.02342	6.8
149.09717	1.8
149.13248	12.0
157.10153	5.7
159.08139	2.6
159.11687	10.1
161.09596	4.3
161.13295	10.5
163.14790	2.6
169.10103	2.5
171.11673	4.5
173.09583	2.2
173.13248	12.8
175.11211	5.8
175.14853	5.1
177.05499	5.9
177.16505	2.9
179.10689	3.6
180.08707	1.8
183.11642	3.2
187.11348	2.0
187.14868	5.2
189.16383	15.8
191.10716	2.7
193.04967	7.8
193.12294	8.1
197.13266	4.9
201.12830	5.8
201.16292	1.9
203.14449	2.4
205.12111	2.2
207.13867	6.1
215.14360	3.9
219.13867	5.5
229.19534	6.4
233.15396	3.2
239.84340	1.6
243.21109	24.8
253.19525	9.5
269.17535	1.8
271.20551	26.7
272.21088	3.3
275.79056	1.7
281.18872	2.6
289.21622	53.9
290.21960	3.0
299.20007	9.5
317.21127	100.0
318.21469	6.0
335.22171	37.7
336.22363	2.6
419.61118	2.0
478.87375	2.0
496.15942	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	514.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
55.01863	4.3
55.05518	32.7
57.03441	23.7
57.26867	2.1
57.29873	2.2
59.05025	2.7
65.03961	3.2
67.05508	88.7
68.05838	3.0
69.03439	5.1
69.07073	21.4
71.05002	8.4
79.05139	1.3
79.05497	62.8
81.03423	46.1
81.07065	100.0
82.07415	3.8
83.04976	17.9
83.08624	33.6
85.02913	21.8
85.06557	5.9
91.05485	54.3
92.05846	3.9
93.07050	62.4
94.07378	2.3
95.04976	24.6
95.08613	37.7
97.06519	16.9
97.10184	6.5
105.04504	3.1
105.07047	29.1
107.04984	7.6
107.08595	35.3
109.06547	3.5
109.10151	14.4
111.08123	11.0
117.07027	11.5
119.08597	25.7
121.06517	6.2
121.10165	22.8
123.11729	11.2
125.09696	4.0
128.06293	2.5
129.07028	6.5
131.08569	20.7
133.06535	2.6
133.10139	23.7
135.08075	4.1
135.11679	11.9
135.27679	2.4
142.07809	2.6
145.10133	5.5
147.11671	14.5
149.09639	6.0
149.13284	15.6
149.14308	2.6
151.11160	2.9
157.10141	11.2
159.11736	9.4
163.14836	5.1
165.12788	2.7
171.11705	2.7
173.13220	5.5
175.11182	9.8
177.12772	4.2
187.14970	3.7
193.12259	39.8
195.13797	22.0
195.44443	2.6
211.13303	63.4
212.13596	2.8
243.21111	6.7
261.22202	16.9
267.15918	16.2
269.17487	76.9
270.17886	4.3
285.16959	57.7
286.17276	3.9
289.78644	2.4
335.25772	6.8
353.26755	3.5
461.29071	15.6
479.30045	76.1
480.30569	7.0
514.36255	5.2
515.26056	5.7
539.99841	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	514.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74129	5.6
53.03935	8.0
55.05518	29.4
57.03435	25.9
67.05506	69.4
68.99537	56.0
69.07069	16.2
69.23722	6.2
79.05502	48.6
81.03420	49.0
81.07063	94.5
83.04977	17.5
83.08617	29.5
85.02908	16.9
85.62796	6.6
91.05478	44.3
93.07043	62.6
95.04964	20.7
95.08619	24.7
97.06553	7.1
105.07024	21.5
107.04994	6.6
107.08595	31.8
111.08083	12.9
117.07081	11.6
119.08595	17.0
121.10152	25.3
129.07059	6.9
131.08566	18.4
133.10104	19.9
135.11731	9.4
147.11661	7.8
149.13261	26.0
157.10118	16.9
159.11758	9.8
175.11234	8.3
193.12270	39.4
195.13829	14.9
200.20160	5.7
210.92821	6.2
211.13289	66.5
213.87550	5.6
258.20337	5.9
267.15875	23.1
269.17487	100.0
285.17093	37.1
330.59195	5.7
341.04092	6.0
341.10474	11.0
461.28656	17.2
479.30103	75.0
514.27972	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	514.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28819	4.1
63.58796	4.8
67.05494	10.0
69.07802	28.9
79.05499	10.2
81.07049	28.1
81.93079	4.5
81.93573	4.2
85.02904	10.2
91.05460	23.7
93.07040	24.1
93.73136	5.0
94.51236	4.0
95.08601	24.5
97.02876	6.1
97.06537	8.0
105.07042	15.7
107.08594	18.2
109.02887	4.9
109.06512	7.7
109.10175	16.3
117.03371	5.5
117.07022	4.7
119.08612	19.5
119.29385	5.3
121.06470	9.0
121.10157	18.8
121.84476	4.9
131.08603	11.3
133.10146	6.8
135.11723	11.1
145.02835	9.2
145.10133	12.2
147.11713	14.2
148.86786	5.3
152.83069	4.4
157.10072	5.1
159.11678	8.5
161.13271	5.5
169.10152	4.8
173.13242	8.7
177.05534	21.3
185.13307	11.3
187.14896	5.9
199.14833	8.6
255.20985	10.4
281.22681	38.1
299.20157	14.8
299.23648	16.1
317.21283	10.3
317.24731	100.0
460.21118	6.3
514.19824	6.0
514.27148	49.4
515.31732	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	515.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34936	7.7
56.96565	47.4
62.31967	8.3
69.03416	9.8
70.06588	11.0
71.08176	13.8
81.03416	11.6
84.96038	11.5
97.02927	6.6
98.97578	94.4
109.02874	7.8
110.97588	45.0
116.98615	60.9
127.03924	17.1
128.98615	61.1
131.00139	9.0
134.99669	18.8
143.00166	9.7
146.99689	35.7
153.01836	15.1
157.82745	7.1
158.82497	6.8
161.01247	21.2
165.00685	7.1
170.99643	16.3
172.97578	8.5
176.98582	6.2
177.00630	11.6
189.00710	9.6
190.98717	7.8
201.00740	10.9
219.01617	47.8
235.02333	16.6
237.02832	100.0
245.01015	9.8
250.98636	9.1
258.00604	12.5
273.00183	9.8
273.02823	53.2
276.01605	14.2
291.03934	56.2
315.03955	8.5
317.01758	10.8
319.00937	12.0
337.01944	18.7
351.03818	20.5
370.50571	8.0
399.05978	63.7
417.07098	82.6
440.08359	8.3
463.05057	14.5
476.26309	9.0
481.06061	27.5
515.07257	46.5
515.13647	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	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05526	0.3
57.03431	0.3
60.98678	0.3
63.02384	0.6
67.01871	2.5
67.05505	1.1
67.53425	0.3
71.04993	0.5
71.06458	0.5
78.04713	0.4
78.07251	0.4
79.05501	1.2
81.03419	1.4
81.07059	1.2
81.97176	0.3
83.08627	0.5
85.02910	0.6
89.03918	8.3
91.05499	1.2
93.07067	0.9
95.04970	1.0
95.08614	0.6
99.04494	0.5
103.05474	0.5
105.07048	0.9
106.04160	0.4
107.08617	0.8
109.02884	5.4
109.10156	0.5
117.03381	22.6
118.03720	0.5
119.08592	0.5
121.06503	0.8
121.10046	0.3
123.04455	0.4
127.03922	5.0
133.06540	0.3
134.03630	1.0
135.04410	1.1
143.08563	0.4
145.02846	51.2
145.10098	0.4
146.03207	1.4
147.11746	0.4
149.05978	7.9
163.03969	0.6
177.05469	100.0
178.05804	2.6
186.05484	1.1
215.09047	0.3
243.06483	0.7
285.07544	1.3
297.87827	0.4
303.08624	8.2
304.12500	0.4
491.35941	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	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
63.02392	0.6
65.06487	0.2
67.01870	2.3
70.55614	0.5
78.04736	0.4
81.03415	1.6
85.02895	0.3
89.03924	6.9
91.05505	0.4
92.30482	0.2
95.74406	0.2
99.04470	0.5
101.74376	0.2
103.89520	0.2
107.71700	0.2
109.02885	4.4
117.03389	20.3
118.03706	0.5
127.03929	3.9
128.44595	0.2
134.03636	1.0
135.04419	1.0
145.02858	50.1
146.03169	1.6
149.05992	7.5
157.64851	0.2
163.03802	0.3
177.05478	100.0
178.05841	2.8
180.58533	0.2
183.17722	0.2
186.05565	0.5
195.06607	0.2
222.32515	0.2
243.06488	0.4
285.07690	1.2
287.15964	0.3
303.05365	0.4
303.08667	7.4
304.08899	0.4
451.63950	0.2
501.65970	0.3
507.91739	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	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.4
57.79156	0.4
63.02401	0.6
65.03967	0.4
65.45688	0.3
67.01871	2.4
69.70115	0.6
69.70509	0.9
71.05002	0.4
72.71527	0.3
73.56768	0.3
79.05502	0.6
81.03435	1.7
81.07074	0.5
83.02516	0.4
85.02920	0.3
89.03920	6.9
91.05495	0.8
93.07018	0.6
95.04977	0.6
98.23316	0.4
99.04462	0.7
102.18536	0.3
103.05556	0.3
105.07070	0.5
106.04205	0.5
107.08562	0.5
109.02880	4.8
111.08812	0.3
117.03384	20.1
118.03669	0.4
119.08569	0.4
121.06473	0.6
127.03925	3.9
134.03647	1.5
135.04416	1.3
145.02855	54.3
146.03139	0.8
149.05995	7.5
176.69836	0.3
177.05475	100.0
178.05789	2.2
186.05447	0.8
211.81787	0.3
243.06468	0.7
285.07535	1.1
303.08655	6.6
407.05603	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	515.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05529	0.3
59.05000	0.5
62.60461	0.3
63.02384	0.6
67.01871	2.1
67.05500	0.6
69.07086	0.3
71.05019	0.4
71.28136	0.4
78.04723	0.6
79.05473	0.5
81.03417	1.3
81.07063	0.7
83.72486	0.2
85.02912	0.5
89.03925	8.3
90.04288	0.3
91.05492	1.0
93.07027	0.7
95.08620	0.7
97.02850	0.3
99.04443	0.6
102.54453	0.2
105.07072	0.7
106.04197	0.7
107.08583	0.4
109.02893	4.7
109.03586	0.4
109.10157	0.6
112.07649	0.5
115.04379	0.3
117.03390	21.7
118.03750	0.4
119.08631	0.4
121.10190	0.4
125.06032	0.4
127.03931	4.4
134.03648	2.1
135.04454	1.6
145.02858	54.8
146.03188	1.2
149.05989	7.9
149.13379	0.3
152.40659	0.3
162.45326	0.3
163.03810	0.3
177.05482	100.0
178.05821	2.6
186.05516	1.1
210.67046	0.3
228.82722	0.3
243.06619	0.3
271.20557	0.3
273.22037	0.3
285.07626	1.0
289.21591	0.4
303.08652	7.1
317.21091	0.3
318.21710	0.3
335.22403	0.3
496.06256	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	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
58.88300	0.2
63.02388	0.5
65.03959	0.2
67.01870	2.0
67.05492	0.3
69.22246	1.5
70.06572	0.3
71.05000	0.4
78.04726	0.4
79.05486	0.2
81.03422	1.3
81.34940	0.2
83.08632	0.2
85.02914	0.3
89.03914	6.4
91.05490	0.7
99.04426	0.6
99.27010	0.2
103.05467	0.3
105.07034	0.3
106.04176	0.5
109.02143	0.2
109.02880	4.0
111.04461	0.4
117.03381	19.0
118.03719	0.6
121.06515	0.8
121.10132	0.2
123.04426	0.4
127.03924	4.3
128.04240	0.2
130.48793	0.2
134.03642	1.3
135.04407	1.2
139.03889	1.1
145.02847	48.6
146.03189	1.2
149.05981	6.7
158.06049	0.3
162.03098	0.3
163.03885	0.5
177.05469	100.0
178.05835	2.3
179.36453	0.2
186.05511	0.9
215.06990	0.4
243.06488	0.4
259.09744	0.3
285.07584	1.2
289.54434	0.2
289.80396	0.2
303.08646	7.1
304.08923	0.6
312.19284	0.2
353.23099	1.2
384.25137	0.3
515.14960	0.5
515.28448	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	515.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
56.05033	0.7
58.91389	0.2
59.18245	0.3
61.01150	0.3
63.02394	0.3
65.03944	0.2
67.01875	2.3
67.05508	0.5
70.06596	20.8
71.30104	0.2
75.09277	0.2
78.04733	0.4
79.05490	0.5
81.03412	1.8
81.07070	0.4
86.09715	8.0
89.03928	8.0
89.04488	0.4
91.05505	0.7
93.07045	0.3
98.06074	0.4
99.04459	0.5
103.05451	0.3
104.05363	0.8
105.07101	0.2
106.04243	0.3
107.08597	0.4
109.02888	4.8
109.10210	0.3
111.04435	0.5
117.03387	20.4
118.03730	0.4
121.06512	0.4
121.10111	0.3
127.03926	4.0
134.03632	1.1
135.04442	1.6
138.09187	0.2
139.03911	12.1
140.04221	0.3
145.02853	49.8
145.10098	0.2
146.03206	1.2
146.06404	0.4
147.04433	0.3
149.05994	6.2
151.03889	0.9
163.03889	1.3
177.05476	100.0
178.05852	2.5
183.14923	0.4
186.05470	0.9
203.51028	0.2
205.04929	0.4
211.14438	0.3
229.15482	15.9
230.15775	0.3
243.06575	0.5
285.07498	1.3
287.14191	0.4
289.07172	1.5
303.08624	7.8
304.08566	0.3
331.82532	0.2
342.23767	0.7
351.13715	0.3
355.80032	0.3
450.21246	0.2
469.27832	0.6
514.26740	0.4
515.28442	7.4
516.28772	0.3
518.78351	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	515.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27534	0.1
53.03954	0.5
54.69007	0.1
55.24682	0.1
56.84734	0.1
63.02345	0.7
67.01868	2.0
69.17123	0.3
69.17532	0.6
71.04984	0.2
78.04733	0.4
81.03420	1.5
85.02911	0.2
89.03922	8.1
91.05490	0.6
95.05016	0.1
97.02887	0.2
99.04466	0.5
100.89307	0.1
103.05479	0.5
106.04189	0.5
109.02885	5.0
117.03386	22.3
118.03701	0.4
119.04921	0.2
121.06568	0.2
122.27917	0.1
124.05187	0.2
127.03919	3.9
134.03651	1.7
135.04436	1.0
145.02855	51.7
146.03163	1.5
149.05989	6.9
150.06346	0.2
163.03941	0.5
177.05476	100.0
178.05817	3.1
185.05905	0.2
186.05464	0.4
195.06474	0.2
211.84975	0.1
215.07085	0.3
243.06490	0.6
285.07556	1.3
303.08627	7.0
304.09018	0.4
449.05786	0.1
515.16730	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	515.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56802	0.3
53.03939	0.7
55.05514	0.5
63.02379	0.5
67.01863	2.0
70.06591	0.8
73.43913	0.4
79.05461	0.6
81.03406	1.8
81.07049	0.8
81.99781	0.4
83.73016	0.4
85.02904	0.7
89.03410	0.5
89.03917	6.9
91.05479	1.4
93.07050	0.5
95.08595	0.5
98.97596	1.1
99.04462	0.7
103.05462	0.5
109.02879	4.6
116.98599	0.8
117.03382	20.5
118.03705	0.5
121.10150	0.5
121.22888	0.4
123.04406	0.6
127.03939	4.2
128.06148	0.3
134.03622	1.8
135.04405	1.6
139.03870	0.8
145.02850	49.3
146.03185	1.2
149.05991	6.9
177.05472	100.0
178.05791	2.8
186.05435	0.8
242.98351	0.4
243.06755	0.4
285.07608	1.6
301.67291	0.4
303.08621	7.2
304.09097	0.5
515.28503	6.1
515.35699	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	515.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	0.2
53.03957	0.8
55.86934	0.2
63.02385	0.5
67.01874	2.5
69.03442	0.3
69.07055	0.2
69.37188	0.8
69.37593	0.4
71.04987	0.3
78.04720	0.4
79.05501	0.3
81.03426	1.6
81.07089	0.3
85.02915	0.8
85.27834	0.2
89.03920	7.3
90.04275	0.2
91.05489	0.8
93.07062	0.9
95.04992	0.4
95.08600	0.3
97.02885	0.4
99.04460	0.9
103.03967	0.3
103.05482	0.3
105.07062	0.2
106.04187	0.5
107.08621	0.4
109.02889	4.6
109.03586	0.4
109.06509	0.4
110.90804	0.2
117.03382	21.6
118.03738	0.5
119.05057	0.2
119.08559	0.3
119.09384	0.2
121.06478	0.2
121.10131	1.2
123.08073	0.2
124.05195	0.2
127.03921	5.1
134.03612	1.6
135.04459	1.1
137.09622	0.3
145.02853	52.3
146.03212	1.7
147.04314	0.2
149.05983	6.8
149.09593	0.6
149.13234	0.3
151.11201	0.6
162.03114	0.3
163.03940	0.6
165.12781	1.3
177.05475	100.0
178.05809	3.1
186.05461	0.4
192.03821	0.2
209.15395	3.5
239.15543	0.2
243.06503	0.5
258.53043	0.2
285.07498	1.1
303.08630	6.8
304.09006	0.2
344.27112	0.2
366.26935	0.2
377.02072	0.3
515.05573	0.4
515.18860	0.4
515.28015	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	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02181	0.2
51.02401	0.3
53.00317	0.2
53.03946	0.4
63.02386	0.5
65.03945	0.6
67.01866	1.9
67.05521	0.3
69.03435	0.4
69.07072	0.4
69.17345	0.9
69.17750	0.3
78.04707	0.3
81.03417	1.5
81.07065	0.3
83.08618	0.2
85.02915	0.5
89.03915	7.5
90.04288	0.2
91.05482	8.8
93.07038	0.4
95.05029	0.2
97.02878	0.2
98.22620	0.5
99.04471	1.0
103.05484	0.5
105.07034	0.5
106.04179	0.4
107.08584	0.2
109.02887	4.9
111.04446	0.5
111.11674	0.2
115.05453	0.2
116.97652	0.2
117.03382	19.5
118.03719	0.4
119.04937	0.3
119.22981	0.2
121.06491	0.6
121.10140	0.3
123.04403	0.2
124.05195	0.2
125.27043	0.2
125.95384	0.2
127.03923	4.0
130.14604	0.2
134.03629	1.7
135.04448	1.4
145.02849	50.3
146.03206	1.4
149.05983	6.6
150.06357	0.2
162.03136	0.5
163.03854	0.5
167.03432	0.2
177.05470	100.0
178.05820	2.9
186.05505	0.7
199.03867	0.4
217.04944	0.4
227.03365	0.7
237.02687	0.2
239.07054	0.3
243.06448	0.7
244.03769	0.2
245.04414	0.9
257.04376	0.3
257.08060	0.5
262.04675	0.3
263.05377	0.3
285.07526	1.4
303.08636	8.2
304.08923	0.3
317.08032	0.8
335.09106	1.6
353.10208	0.4
400.12546	0.2
515.14856	0.3
515.27869	0.8
516.25854	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	515.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08481	0.2
52.97861	0.2
53.03954	0.8
55.01881	0.3
62.01580	0.2
63.02394	0.7
67.01868	2.3
67.05492	0.2
69.86285	0.9
70.06577	0.3
71.04993	0.4
78.04736	0.4
81.03418	1.8
85.02919	0.4
89.03920	7.7
90.04245	0.3
91.05483	0.6
93.07047	0.4
95.04975	0.3
97.02890	0.2
98.97591	0.3
99.04482	0.3
103.05466	0.3
106.04149	0.2
109.02881	4.4
117.03384	22.0
118.03734	0.6
119.04907	0.3
120.08121	0.2
121.10135	0.2
123.04422	0.7
125.02360	0.2
127.03922	4.4
134.03650	1.5
135.04451	1.4
139.03900	0.5
145.02849	50.9
146.03174	1.1
149.05981	6.8
163.03946	0.5
177.05472	100.0
178.05836	2.5
186.05563	1.0
187.02768	0.2
197.05933	0.3
199.49879	0.3
243.06596	0.8
273.55066	0.2
285.07523	1.4
303.05347	0.5
303.08630	8.0
304.08835	0.4
335.15256	0.4
343.75854	0.2
352.21631	0.4
353.22662	0.8
373.17291	0.2
455.19223	0.3
514.26801	0.3
515.28162	3.3
537.26215	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	515.1889
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
62.87424	0.3
64.06342	0.3
71.30534	0.4
81.03428	0.5
81.31495	0.3
86.09717	0.3
93.07033	0.4
95.04943	0.4
95.39774	0.3
107.08638	0.3
109.62593	0.3
123.04445	0.3
137.05951	0.5
139.03886	0.3
145.02892	0.5
151.03946	0.3
153.01881	0.7
159.04172	3.1
159.85840	0.2
160.04642	0.2
177.05504	1.0
185.04210	1.5
195.64130	0.3
320.94525	0.3
353.13654	0.8
370.23843	0.3
515.18890	100.0
516.11896	0.6
516.19263	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1894
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
51.39267	0.3
68.91460	0.3
69.92635	0.5
69.93024	0.5
70.06597	0.3
78.36388	0.3
86.09652	0.3
91.05490	0.4
95.04985	0.3
97.06635	0.3
98.22671	0.4
113.03476	0.4
117.03384	0.3
121.06540	0.3
123.04462	0.6
133.04585	0.3
135.08122	0.3
136.12654	0.3
137.09572	0.4
145.02873	1.2
149.06119	0.3
151.03940	0.6
153.01810	0.5
165.12764	0.3
177.05478	2.5
179.10725	0.3
209.15355	0.4
216.71313	0.3
243.13542	0.5
273.07538	0.4
365.13715	0.6
383.14688	0.4
460.52170	0.3
466.55569	0.3
515.18915	100.0
516.19202	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	515.2255
Annotation	Trp Phe Tyr
Peak:m/z	Relative Intensity
59.57078	0.2
60.08166	0.7
62.66404	0.2
67.05505	0.3
71.01814	0.2
71.16045	0.2
76.59728	0.2
76.88092	0.2
79.05489	0.3
81.07076	0.4
86.09716	3.0
89.41910	0.2
91.05518	0.2
93.07042	0.3
95.08575	0.3
98.98473	0.3
105.06996	0.3
121.06477	0.2
124.99995	2.1
145.10086	0.3
146.03452	0.3
169.04750	0.4
171.04208	0.2
177.05522	0.3
184.07350	9.7
186.06526	1.0
187.07346	0.3
207.09987	0.6
230.05678	0.3
244.72878	0.2
249.11183	0.3
314.46164	0.3
351.14267	1.6
392.90216	0.3
416.56177	0.3
417.26471	0.3
515.22528	100.0
516.22888	8.3
516.29376	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	515.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65898	0.3
67.05492	0.4
69.03633	2.6
84.82895	0.3
86.09744	0.4
121.06554	0.6
137.22627	0.3
169.04718	0.6
171.04257	0.9
184.07346	0.5
186.06546	4.1
187.07243	0.3
207.09970	0.4
247.09703	0.3
263.32324	0.4
282.89093	0.3
351.14215	2.5
397.04172	0.3
515.22534	100.0
516.22900	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	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20928	1.3
69.21259	12.1
102.20258	1.7
125.39251	1.6
131.09958	1.5
156.39314	1.5
255.52127	1.7
310.17050	1.9
372.82614	2.0
515.31921	100.0
516.32269	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	515.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21570	0.5
67.05499	1.4
69.29244	2.8
69.29652	0.8
79.05492	1.4
81.07066	1.6
91.05470	0.9
93.07080	1.0
95.08598	0.9
96.38866	0.6
98.22618	1.2
107.08600	0.7
119.29356	0.5
119.43196	0.5
203.05396	1.0
232.35309	0.6
416.40765	0.6
451.99292	0.6
515.31909	100.0
516.32318	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.05516	23.0
55.90345	3.9
56.59137	3.4
57.03443	12.6
61.02926	5.0
67.05506	100.0
67.05843	7.9
69.03423	5.3
69.07074	24.9
79.05499	55.1
81.03393	4.4
81.07058	93.8
83.04978	6.8
83.08622	7.7
85.02914	5.0
85.06564	4.6
91.03986	4.2
91.05485	40.3
93.07046	70.2
95.04990	11.1
95.08611	67.4
97.02950	4.7
97.06573	7.2
97.10162	6.3
105.07030	24.7
107.08607	43.0
109.10168	36.8
112.74269	3.8
117.07015	13.7
119.08623	22.9
121.10129	40.1
123.11707	13.1
129.07013	6.6
130.07936	3.9
131.08588	27.3
133.10147	16.5
135.11711	27.1
145.05026	3.6
145.10095	20.7
147.11707	11.4
149.13280	25.4
150.07884	3.7
157.10109	6.1
159.11620	22.6
161.13300	16.6
163.14830	10.9
163.56743	4.5
173.13268	22.0
175.14812	4.5
177.16386	5.8
185.13399	3.9
187.14870	11.2
229.52876	4.7
243.21010	20.3
261.22144	68.0
335.25607	19.9
353.26965	13.7
515.37219	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.05518	19.7
56.98045	2.7
57.03432	5.9
57.07060	3.3
64.55978	2.9
65.03940	3.2
67.05508	91.7
69.03435	8.4
69.06229	25.7
69.07047	17.9
71.04989	5.8
79.05493	61.1
81.03428	5.4
81.07060	100.0
83.08622	12.6
85.02953	3.8
91.05483	41.6
92.85220	3.3
93.07043	73.0
95.04981	6.7
95.08606	68.1
97.02884	3.3
97.06564	4.6
97.10178	5.4
105.07030	26.5
107.08595	41.1
109.06513	3.1
109.10143	35.6
111.11787	3.0
117.07030	15.3
119.08583	24.4
121.10144	38.6
122.44267	3.6
123.08038	3.2
123.11682	16.1
129.07051	3.0
131.08572	26.2
133.10149	17.2
135.11713	35.6
136.12021	3.2
137.13246	7.5
143.08606	5.6
145.10152	21.0
147.11697	16.8
149.13232	24.8
154.94211	6.0
157.00662	2.9
157.10069	3.6
159.11737	17.2
161.13277	10.9
163.14764	14.5
169.28441	2.7
172.95236	8.6
173.13252	18.4
175.14874	4.7
177.16360	3.9
177.75156	3.4
187.14839	12.3
190.96320	3.8
198.92334	2.9
210.97691	15.5
233.22490	3.3
243.21072	27.1
261.22122	70.6
262.22421	3.4
280.39032	2.9
303.23386	3.8
335.25803	11.5
345.24203	3.2
350.24036	3.2
353.27017	8.0
460.21207	5.0
516.23956	7.5
516.87671	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.7
51.02377	1.2
51.63270	0.6
53.00304	0.6
53.03951	4.9
55.01868	2.4
55.05515	20.0
57.03447	7.1
57.07084	2.8
58.67616	0.5
59.07888	0.5
65.03937	3.1
67.05509	57.1
68.05846	0.7
69.03447	1.1
69.07072	16.3
70.79427	1.2
71.01358	1.7
71.05001	4.3
74.36620	0.5
79.05496	48.1
80.05833	1.0
81.03436	3.2
81.07063	40.2
83.04993	6.9
83.08624	7.0
85.06548	3.3
91.05485	33.4
92.05826	1.6
93.07049	55.5
94.07374	1.3
95.04971	6.1
95.08612	26.3
96.08942	0.6
97.06532	7.1
97.10180	6.8
99.08102	1.9
103.05459	0.8
105.04525	2.1
105.07037	22.9
107.04973	1.0
107.08602	30.9
109.06506	1.1
109.10152	11.2
111.08084	2.1
111.11736	0.8
115.05486	1.4
116.06171	0.7
117.07025	12.1
119.06117	0.6
119.08589	16.4
121.06514	0.8
121.10143	18.0
123.08081	1.1
123.11737	2.3
123.30898	0.6
125.09622	1.3
128.06259	1.5
129.07011	6.1
130.07793	1.2
131.08571	17.6
133.10133	11.8
133.11050	0.8
134.10480	1.0
135.08107	1.5
135.11699	37.7
136.12056	1.0
137.09630	1.3
137.13271	1.1
139.11200	0.7
141.07021	1.7
142.07776	0.8
143.08583	8.1
145.06493	0.7
145.10121	19.6
147.11703	7.6
149.09604	1.0
149.13249	4.2
153.12791	2.6
155.08560	3.0
156.09407	0.9
157.10153	7.1
159.11697	12.2
160.12067	0.6
161.13254	5.0
163.11221	3.8
163.14850	1.4
167.08598	0.8
169.10115	4.3
171.11691	6.2
173.13258	7.4
175.14861	2.4
181.10133	1.3
181.12221	4.9
183.11668	3.7
185.13274	4.5
187.11348	0.5
187.14870	4.2
189.16420	0.9
195.11685	1.3
197.13277	2.9
199.13301	1.3
199.14917	2.3
201.16414	1.7
207.11589	0.9
209.13313	2.2
211.14897	2.6
213.16470	1.2
214.99477	0.5
215.17979	0.8
223.14925	1.2
225.16316	1.1
237.16444	1.2
239.18124	0.9
241.19539	0.9
243.17397	0.8
243.21169	2.3
257.18835	0.6
259.20547	0.6
261.22150	6.8
262.22540	0.9
269.18958	0.7
271.20499	1.1
283.20779	0.6
285.22223	0.7
297.22330	0.8
299.23764	1.5
301.21509	0.6
311.23666	0.8
312.98947	0.5
313.25122	0.9
315.23212	1.1
317.24811	1.5
327.23245	0.6
329.24673	0.7
405.31311	3.7
423.32578	10.9
424.32983	1.0
441.33713	4.1
459.34671	1.2
479.34952	1.0
497.36249	4.4
515.37347	100.0
516.37793	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.05520	24.0
56.82639	2.0
57.03433	8.1
57.07071	3.5
65.03921	3.4
67.05506	69.2
67.08607	1.8
69.07074	18.4
69.19088	13.2
71.01336	2.8
71.04990	2.9
75.77677	1.9
77.03892	2.7
79.05499	63.0
81.03418	5.0
81.07061	50.6
83.04991	9.0
83.08634	8.5
85.06537	3.4
91.05479	38.4
93.07049	76.4
95.04980	7.5
95.08614	37.2
97.06524	10.3
97.10171	7.2
99.08105	3.4
105.04568	3.8
105.07024	25.0
107.05005	2.4
107.08595	36.3
109.10150	11.2
110.38927	1.9
110.98015	1.8
111.08080	3.0
113.61079	2.2
117.07014	12.6
119.08593	21.7
121.06473	2.7
121.10133	21.3
125.09639	2.1
129.07033	2.5
131.08578	20.7
133.10130	15.5
135.11696	51.1
141.06976	3.0
143.08565	7.5
145.10129	21.5
147.11682	8.2
149.13281	6.2
149.86374	2.4
155.08566	3.6
157.10165	6.5
159.11699	10.0
161.13286	2.8
163.11241	6.3
163.14851	2.5
169.10107	4.9
171.11728	5.4
173.13289	7.6
181.10184	3.4
181.12277	6.4
183.11748	2.7
185.13374	3.3
187.14915	3.5
199.14841	3.8
201.16324	3.7
208.86609	2.2
209.13324	3.5
213.16466	4.6
222.20506	1.8
243.21069	2.8
255.11884	2.1
261.22165	4.9
405.31796	3.2
423.32712	8.7
441.33817	2.9
480.68472	2.1
497.36441	4.1
515.37390	100.0
516.37341	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	516.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03942	1.0
55.01869	1.3
56.71260	0.5
60.49913	0.5
65.03908	0.6
67.05498	1.4
68.99785	1.0
69.03417	1.8
69.93798	1.1
69.94196	1.1
70.06599	2.6
72.08154	0.7
79.01855	4.3
81.03414	5.8
85.02898	4.1
85.04470	0.5
86.09679	1.0
93.03377	1.2
95.04956	0.8
97.02883	3.0
107.00716	0.6
107.01328	7.0
109.02123	0.8
109.02880	14.3
111.04427	0.7
125.02345	8.1
127.03917	25.2
135.00752	1.2
139.03902	67.4
140.04236	1.3
143.03386	6.9
144.06615	0.7
145.04941	0.7
153.01830	100.0
153.02911	5.8
154.02145	2.0
162.07646	0.6
162.65800	0.5
167.03398	65.1
168.03714	1.9
169.21342	0.5
171.02882	63.2
172.03230	1.4
180.08730	1.6
185.04370	0.8
191.75067	0.5
251.84763	0.6
386.05954	0.6
411.26096	0.5
481.06424	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	516.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03952	1.5
55.01882	0.3
55.05513	0.3
55.11844	0.3
55.95790	0.3
57.03437	0.3
62.02959	0.2
66.36967	0.2
69.03429	1.6
70.06580	0.4
71.30031	0.4
77.03925	0.4
81.03425	4.8
85.02898	1.8
86.09698	0.3
91.05500	0.3
93.07059	0.5
95.04973	1.1
97.02899	2.5
99.04439	0.5
100.11240	0.3
102.04677	0.5
103.05471	37.7
104.04966	0.3
104.05815	0.7
105.04539	0.6
107.08559	0.3
109.02908	1.8
109.10156	0.3
117.57745	0.2
121.06522	1.4
127.03954	1.5
131.04929	100.0
132.04433	2.8
132.05270	2.4
133.10098	0.4
136.03973	0.4
138.09122	0.3
139.03868	1.2
140.04333	0.3
145.04930	0.4
149.05986	5.6
160.03964	3.3
163.37433	0.3
164.03430	4.8
178.04994	34.6
179.05302	0.9
206.04492	8.8
220.06018	0.6
224.05534	14.6
225.05849	0.4
244.15680	0.3
248.05557	0.3
275.09122	5.0
277.42599	0.3
278.45547	0.3
293.10172	2.1
311.40997	0.3
340.10065	0.5
350.08405	0.3
353.22946	2.5
354.23166	1.8
358.19379	0.2
446.18402	0.3
515.28473	1.4
516.19019	1.6
516.28265	2.9
516.35876	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	516.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03942	1.3
57.03423	0.4
64.82967	0.3
65.96744	0.3
69.03426	1.6
70.06600	0.8
71.29485	0.5
77.03910	0.7
81.03413	4.9
81.07037	0.4
85.02915	1.9
91.05500	0.4
93.07074	0.4
95.04951	1.7
97.02899	2.3
99.48000	0.3
103.05467	41.4
104.05019	0.4
104.05810	0.8
104.30913	0.3
105.04490	0.6
107.08609	0.5
109.02874	1.9
111.68989	0.3
115.44091	0.3
117.03338	0.4
121.06497	0.8
125.73086	0.4
127.03918	0.4
131.04926	100.0
132.04428	3.0
132.05234	2.4
135.64568	0.3
136.03963	0.7
139.03906	4.8
139.04906	0.6
140.04254	1.8
145.02873	0.9
145.04961	0.6
149.05981	4.9
151.04099	0.5
153.01920	0.4
160.03958	3.1
164.03410	3.7
177.05469	1.3
178.04977	35.9
179.05339	1.0
206.04472	9.0
220.06105	1.7
224.03294	0.7
224.05530	13.8
225.05881	0.6
248.05696	0.6
275.09119	5.0
289.07059	0.4
290.07300	0.4
293.10150	1.7
340.10037	0.3
346.43173	0.4
350.08777	0.5
395.47964	0.4
515.28125	0.7
516.18835	2.8
516.28455	1.8
516.35931	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	516.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
69.03429	16.7
69.45612	20.1
79.05495	13.8
81.03429	11.6
81.07064	5.7
91.05470	18.1
93.07050	77.1
95.04994	4.4
95.08614	6.1
97.02907	9.2
105.07053	13.1
107.08589	10.2
109.02896	6.1
109.10182	4.5
119.08590	28.1
121.10158	100.0
122.10458	3.7
127.03997	5.1
131.08598	4.2
135.89912	3.1
139.11287	3.5
149.09631	53.6
153.01895	8.0
167.10648	20.9
177.05574	5.3
203.85732	3.2
234.51271	3.3
286.31506	3.2
293.13821	13.1
301.10806	6.3
311.15030	8.4
312.69846	3.5
319.11905	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	516.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44302	1.9
53.03948	3.4
55.48172	1.9
55.48988	1.9
57.03424	2.6
59.25335	2.0
69.03431	8.6
70.06600	2.3
71.06162	5.1
72.08146	4.6
75.04475	7.5
79.05489	17.3
81.03412	7.5
81.07070	5.8
85.02922	4.6
86.09716	14.8
91.05501	9.6
93.07046	65.8
95.04975	5.6
95.08620	2.5
97.02925	5.9
103.92723	2.3
104.10759	3.8
105.07025	6.6
107.08603	11.7
109.02879	4.8
111.08089	4.9
116.36772	2.2
119.08595	10.6
121.06550	2.4
121.10146	69.6
127.03954	4.9
131.08597	4.3
136.91441	2.2
139.11235	3.6
149.09613	16.3
153.01846	3.7
167.10681	21.6
184.07431	3.5
184.87628	2.1
187.10930	2.5
202.89207	2.6
206.04498	7.1
293.13754	4.6
300.19070	2.5
311.14893	11.4
325.00348	5.8
343.01199	15.5
361.02301	100.0
379.03418	24.1
387.03995	2.9
427.03354	8.7
445.04501	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	516.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.01879	0.7
55.05519	1.0
57.07059	1.0
59.34207	0.4
60.82321	0.5
62.44680	0.5
65.91425	0.4
67.05501	1.6
69.03437	3.7
69.07059	1.4
71.28919	0.7
74.92461	0.5
79.05507	1.9
80.05017	1.0
81.07077	0.8
83.01340	0.6
83.04980	1.9
83.07365	0.9
83.08592	0.7
86.06078	0.7
86.09719	1.4
89.99312	0.6
91.05478	2.2
93.07047	1.5
94.06580	0.8
95.04970	1.3
95.08608	0.8
96.08110	1.4
98.06071	0.7
98.09700	0.5
99.04478	0.7
104.65739	0.5
105.07033	2.3
105.58724	0.5
106.06538	1.7
107.08616	0.9
108.08109	1.3
108.88152	0.5
109.06503	0.7
111.04478	0.6
111.08087	1.6
113.09646	0.5
115.05446	0.5
117.07008	0.8
118.06551	0.8
119.07349	1.1
119.08586	1.8
120.08092	6.4
121.06502	2.9
121.10144	0.7
122.09717	0.9
124.11252	1.0
126.12779	0.6
127.03967	0.8
130.06493	0.5
131.08589	0.6
132.08061	0.6
133.10143	1.8
134.06062	0.5
134.09628	0.7
135.08044	1.4
136.11223	0.9
137.05948	0.7
137.09653	1.5
138.12773	1.6
139.03886	0.9
139.07523	0.5
143.08492	0.5
144.08089	0.7
145.10109	1.0
146.09642	1.1
147.06979	0.6
147.08038	2.5
147.10432	0.5
148.07541	2.5
148.11218	0.8
149.06015	1.5
149.09651	0.8
154.12270	0.8
155.03423	1.3
158.09637	0.7
159.08035	0.6
160.11237	0.6
161.09610	0.7
161.11995	0.8
162.09125	3.7
162.12773	11.9
163.07523	1.1
163.13213	0.6
164.04782	0.5
164.14377	2.2
165.05453	0.5
165.09177	0.9
167.03468	1.1
170.11742	0.5
174.12799	0.5
175.07634	0.6
175.14876	0.7
176.10797	1.0
176.14349	2.5
177.05528	0.7
177.09283	0.7
179.07123	0.6
181.08676	0.8
186.12833	1.4
188.10759	1.1
188.14345	0.8
190.12239	3.3
191.07135	0.6
191.14462	0.5
192.14729	0.8
202.12262	0.9
203.09428	1.1
203.14377	1.0
204.10199	1.9
204.13843	29.1
204.17528	1.5
205.14178	1.1
205.15942	1.1
214.15997	1.5
218.11775	2.2
218.15407	1.5
220.57787	0.5
231.13826	0.7
232.16962	13.8
233.15376	0.7
239.09163	2.4
241.10893	0.5
242.15395	1.4
250.18018	4.2
251.09088	0.5
258.14954	0.6
260.16458	25.3
261.16800	1.5
265.07053	11.1
278.17514	12.8
281.92874	0.5
283.08096	0.5
335.11322	1.8
367.80652	0.5
418.22427	1.1
498.24609	1.4
516.25916	100.0
517.26227	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	516.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.7
54.68688	2.2
55.05506	3.6
67.01882	3.6
67.05522	9.3
69.03426	5.2
69.07066	3.1
70.40429	2.2
71.05015	3.1
71.30009	3.1
79.05522	8.1
81.03439	4.5
81.07066	18.9
83.08613	3.6
85.02935	3.8
86.31270	2.2
89.03936	10.5
90.04294	3.1
91.05483	10.1
91.49673	2.1
93.07050	16.4
95.04995	5.1
95.08609	18.0
97.02933	3.4
98.97585	3.5
99.04510	3.6
103.35290	2.1
105.07033	15.0
106.04259	2.3
107.08620	14.3
109.02895	5.2
109.10165	21.9
117.03386	25.8
118.03740	9.8
119.08577	21.5
121.06532	8.7
121.10138	12.5
123.11710	4.9
124.11154	2.1
125.06047	3.1
127.03967	9.3
131.08574	7.8
133.10086	13.8
135.11757	14.4
137.06006	10.1
142.56621	2.2
143.08566	4.6
145.02864	61.9
145.10129	12.2
146.03185	33.0
147.11668	13.1
149.06021	9.5
149.09563	2.2
149.13246	6.6
150.06387	4.5
157.10219	5.1
159.11711	12.9
161.13300	12.9
163.14899	4.9
171.11636	5.2
173.13292	8.9
174.01244	2.7
175.14819	2.9
177.05481	100.0
178.05826	73.7
185.13213	4.9
187.14870	5.3
193.12331	4.6
199.14867	6.6
201.05544	8.5
201.16455	6.2
215.17934	3.7
219.13812	5.7
219.17474	3.1
243.21184	5.1
253.19753	2.5
255.21063	11.6
260.16339	4.1
265.08655	2.0
271.20615	6.4
273.22144	20.4
274.22821	2.4
278.17438	2.7
283.20593	6.3
289.21585	20.5
290.05750	2.8
301.21652	40.3
303.08792	3.2
304.09061	7.5
305.08203	4.0
307.09702	4.0
319.22699	21.9
325.10635	3.6
337.10791	8.9
355.11734	3.3
380.11298	2.3
456.20273	2.8
516.18671	3.3
516.25549	11.0
517.17133	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	517.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03951	0.6
55.01872	0.7
55.05506	0.2
55.79372	0.2
56.96989	0.2
65.03941	0.7
66.93011	0.2
67.01849	0.2
67.05499	1.5
68.99796	0.8
69.03432	0.4
69.07079	0.3
69.80991	0.7
76.35621	0.2
77.03931	0.9
79.05499	0.4
81.03385	0.2
81.07053	0.6
83.04955	0.6
91.05466	0.7
93.03413	0.5
93.07043	1.4
95.04978	1.5
97.02915	0.2
97.06496	0.4
98.23403	0.3
99.04481	0.3
101.06050	0.3
105.03410	1.5
105.04527	0.4
105.07036	0.9
107.08603	0.8
111.00800	1.0
111.04430	2.4
117.07008	0.3
119.08569	0.4
121.06486	1.4
121.10112	0.6
123.04428	100.0
124.04752	2.2
127.03887	0.4
135.04428	1.1
139.03900	59.4
140.04243	1.5
145.10124	0.7
147.04407	2.9
149.09567	0.2
151.03900	5.6
161.05960	0.6
162.43011	0.2
163.03903	0.8
163.07532	0.5
163.11156	1.8
165.05394	0.3
166.81548	0.3
167.10745	0.4
169.08611	1.8
181.12201	0.5
185.11620	0.3
189.05446	0.9
191.10608	1.5
199.07558	0.3
209.11728	0.8
223.30914	0.2
227.06949	0.3
227.12776	1.8
245.04396	0.3
255.06551	0.5
273.07578	14.8
274.08005	0.7
301.36597	0.3
355.24481	0.3
496.47275	0.3
516.36591	0.3
517.29474	1.0
517.36823	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	517.2257
Annotation	YM022
Peak:m/z	Relative Intensity
52.69085	0.4
69.03427	0.5
69.32581	2.5
70.06596	0.8
73.06200	0.5
73.48003	0.5
82.92557	0.5
83.04986	0.8
85.02905	0.7
86.09734	1.0
98.23435	0.6
107.42814	0.4
109.10161	0.8
121.10205	0.5
131.15361	0.4
137.06042	0.4
137.09549	0.5
145.06136	0.6
153.01889	1.2
165.09131	0.7
185.04234	0.6
211.13103	0.6
244.13701	0.8
301.94376	0.5
329.08466	0.8
337.79144	0.4
355.17209	0.7
373.18344	5.0
385.76260	0.5
415.19467	1.8
455.22534	12.0
456.23016	0.7
457.20523	6.7
499.21146	1.0
517.22565	100.0
518.15875	0.4
518.22931	7.5
527.09821	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	517.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
56.05034	5.0
57.03434	2.6
60.04527	2.4
65.11869	1.3
69.07095	2.3
70.02959	43.5
70.06592	5.5
71.06130	1.9
71.08633	14.4
71.29081	1.5
71.29470	1.4
74.02450	5.4
76.04010	13.5
80.05022	9.9
84.04510	15.3
86.09708	5.0
86.42045	1.4
88.03991	3.7
88.11270	4.6
94.06589	1.8
98.06071	17.2
99.05586	20.7
100.02203	2.7
100.03938	1.4
103.05057	2.1
107.06082	2.8
108.04498	20.6
109.07634	2.7
110.06046	1.9
111.02734	2.0
112.07565	2.0
116.03475	8.2
117.06676	1.7
120.08118	2.0
122.06006	7.2
124.07617	8.8
125.00623	2.6
125.07121	7.4
126.05551	3.6
126.91660	1.5
127.02272	1.8
127.05021	2.7
130.05037	6.4
131.33473	1.4
138.03757	5.1
140.05362	2.6
140.07080	31.4
141.00044	2.0
142.03217	20.4
142.08667	2.0
144.06557	15.7
144.13876	2.3
145.06091	100.0
153.06531	2.6
154.08661	11.2
154.12312	4.3
156.04787	21.7
157.03146	3.7
165.01770	1.9
165.04848	8.7
166.03247	12.0
168.04819	4.2
169.06120	5.7
169.09770	5.0
170.06317	7.9
171.07681	3.2
177.05542	1.6
178.12259	15.5
180.04794	2.0
181.06087	3.3
184.04419	1.9
196.13316	2.8
199.07198	2.4
210.14902	80.2
211.15321	4.4
212.11055	56.7
223.05376	3.8
226.12630	27.5
228.10484	5.3
231.43866	1.7
244.13680	95.7
245.05917	7.9
245.14009	3.7
249.06657	2.7
250.05405	3.8
253.13658	2.8
268.07578	2.5
269.05896	22.1
274.10397	5.9
283.07565	2.6
287.07031	4.3
301.08600	3.6
319.14880	5.7
347.14331	2.2
356.16394	37.4
372.06384	1.7
388.19086	4.0
422.17456	4.5
424.19080	4.3
430.12946	11.5
455.22818	1.9
457.20880	2.1
485.20645	12.8
499.22098	19.0
517.23236	100.0
518.23505	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	517.3171
Annotation	CHEBI:88298
Peak:m/z	Relative Intensity
53.03935	8.0
55.01864	9.8
55.05510	15.5
63.26696	2.8
65.03935	14.4
67.05507	84.8
68.05810	3.1
68.99790	7.2
69.03438	13.8
69.07080	13.7
71.01376	3.0
71.04972	3.3
71.21676	2.8
73.18330	2.7
79.05500	58.9
81.03430	32.7
81.07060	58.4
83.01343	4.0
83.04969	6.3
83.08612	4.1
85.02915	5.8
86.09721	3.8
91.05486	53.1
93.03405	2.7
93.07045	44.3
95.04977	91.4
95.08607	45.5
96.05304	2.5
96.08908	3.1
97.02894	8.1
97.06572	5.2
99.00848	5.7
103.05424	4.2
105.07040	45.2
107.04967	17.4
107.08604	16.1
109.02909	3.6
109.06538	7.9
109.10139	9.5
111.04474	13.3
111.08076	6.7
114.57160	2.9
115.05470	3.7
117.07005	13.8
119.04948	5.6
119.08595	25.3
121.02905	13.0
121.06512	15.7
121.10145	26.6
123.04416	10.0
123.08041	8.4
123.11703	5.3
125.02351	3.5
125.05975	3.2
127.03919	9.7
128.06187	3.2
129.06995	8.4
131.04939	5.9
131.08592	18.6
133.06505	8.0
133.10129	18.7
135.04402	5.7
135.08069	7.7
135.11746	14.8
137.06006	3.9
139.03908	100.0
140.04198	2.9
141.05495	4.4
141.06961	6.0
143.08583	10.6
145.06487	8.4
145.10097	14.7
147.04395	4.1
147.08029	15.4
147.11670	10.8
149.05907	5.7
149.13277	4.0
151.03976	17.2
153.05511	7.1
155.03516	4.1
155.08553	3.0
157.10124	7.7
159.08046	6.0
159.11700	7.7
161.06007	7.3
161.13202	3.6
163.03915	6.5
163.07515	6.6
165.05508	25.5
166.06020	2.8
167.03409	16.5
169.10127	4.4
171.08069	3.5
171.11717	5.9
173.05968	3.9
173.09712	4.1
173.13217	4.8
175.03940	21.6
175.14792	3.0
177.05409	6.8
181.05020	4.0
181.10214	3.3
183.08047	3.6
184.07307	5.5
187.14795	3.3
189.09087	6.1
191.03369	8.3
191.06993	7.4
193.05038	14.2
197.09634	3.7
199.14761	3.3
203.06898	3.4
205.08598	2.7
207.06485	4.3
207.10150	4.0
209.04385	5.7
215.06966	4.1
215.17993	4.7
217.08490	3.7
227.07283	3.5
231.10139	3.5
243.10190	9.4
261.11072	3.1
293.47067	2.9
387.21735	4.6
395.22000	7.4
431.24216	4.9
437.31076	4.0
445.27408	15.3
463.28418	74.0
464.28726	7.8
481.29459	90.3
482.29633	10.5
483.54340	2.8
499.30566	75.4
500.30820	9.6
517.22955	47.4
517.29626	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03944	2.2
54.05168	0.7
55.01871	1.5
55.05515	15.6
57.03447	4.5
57.07075	2.4
63.46310	0.7
65.03933	1.5
66.99452	0.8
67.05510	34.0
68.05856	0.9
69.06728	1.3
69.07075	17.4
71.04997	1.7
76.51759	0.8
79.05497	27.8
81.07063	40.3
82.24449	0.7
83.04974	2.1
83.08633	10.7
85.06556	2.4
91.04904	0.7
91.05487	24.2
93.07048	32.8
94.07372	0.7
95.04994	2.1
95.08614	32.2
97.06532	3.0
97.10177	4.6
98.22582	1.9
99.08125	1.5
105.07036	28.7
107.08603	23.7
109.06533	1.5
109.10165	13.8
111.08102	1.8
115.58653	0.8
117.07037	8.7
119.08587	25.1
121.10149	19.4
123.08089	1.4
123.11732	4.7
125.09621	2.0
128.06302	0.9
129.06993	5.8
130.07889	1.0
131.08578	20.7
133.10138	17.4
133.11069	1.5
135.08028	1.4
135.11696	10.6
137.09602	1.4
137.13268	2.0
139.11206	1.1
142.07863	1.2
143.08534	6.4
145.10127	18.2
147.11694	13.9
147.12784	1.4
148.11983	0.8
149.09604	1.5
149.13266	7.8
155.08598	1.8
157.10147	6.1
159.11696	13.4
161.09628	0.8
161.13272	9.0
163.11208	1.3
163.14868	3.5
169.10150	3.4
171.11699	7.5
173.13278	11.0
175.14835	4.8
177.12839	1.6
177.16475	1.4
183.11667	3.7
185.13313	4.4
187.14861	5.6
189.16399	2.4
191.14293	0.8
195.11739	1.2
197.13333	2.7
199.13341	0.9
199.14841	3.7
201.16399	3.9
203.14214	0.8
203.18008	1.4
205.15971	1.4
211.14865	3.0
213.14761	1.7
213.16501	2.2
215.17970	1.2
219.17499	1.6
221.18977	0.8
225.16440	1.8
227.18108	1.0
229.19550	1.2
239.18295	0.9
241.18015	3.0
241.19955	1.3
245.18964	0.9
249.18645	0.9
259.20682	5.0
261.22195	1.1
271.20569	1.0
273.22119	1.8
277.21625	1.6
285.22238	1.7
287.23758	2.5
299.23694	2.2
301.25153	1.6
311.23779	1.0
313.25317	2.7
315.23315	1.5
317.24844	1.2
319.22607	1.0
325.25073	1.0
327.27011	1.2
333.24268	2.2
337.25021	0.8
343.26413	1.0
351.27020	0.8
361.27487	1.1
405.30154	3.1
407.33075	5.0
419.31512	2.0
425.34171	15.9
426.34357	1.8
443.35294	7.8
459.34705	1.5
461.36340	1.2
463.36002	1.2
481.36444	1.4
499.37820	22.7
500.38010	1.8
517.38947	100.0
518.39215	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	518.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74346	0.9
53.03954	3.6
55.01878	2.0
57.03444	2.2
61.41396	1.0
69.03431	11.8
70.61769	2.1
71.04632	1.1
71.05002	3.3
81.03423	11.1
85.02917	4.2
97.02917	3.5
99.04471	5.3
105.09339	1.0
109.02894	8.0
127.03925	7.7
141.94183	1.0
147.04385	1.2
163.03947	1.9
165.01759	1.3
175.03943	1.4
181.04913	1.2
191.03400	7.4
193.01367	3.0
196.87421	1.0
201.01825	1.6
203.03462	4.7
219.02895	11.8
221.00824	23.9
221.04291	1.5
222.01154	1.2
231.02937	4.3
233.00775	6.7
239.01888	5.4
247.02367	11.2
249.04031	2.4
257.00925	1.4
259.02454	3.6
265.03433	1.5
275.01859	19.1
277.03329	5.0
293.02890	4.3
303.01364	7.7
321.02408	4.7
339.03497	10.6
365.04919	1.3
454.94232	1.1
465.06543	4.6
483.07706	100.0
484.08032	6.3
514.42249	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	518.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20713	1.0
53.03939	3.4
54.96455	0.9
55.01871	3.4
55.40018	0.9
57.03439	2.3
67.01853	0.9
69.03432	10.2
69.13671	7.0
71.05005	2.4
74.48874	0.9
74.55424	1.0
81.03427	10.8
85.02916	5.2
97.02906	2.8
99.04467	6.2
109.02905	7.3
117.05500	1.1
127.03915	8.5
147.04373	1.7
157.02887	1.0
163.03949	3.2
191.03400	9.4
193.01379	3.2
203.03403	3.1
205.01332	1.6
219.02910	12.3
221.00819	25.0
221.04306	1.5
231.02843	4.7
233.00803	6.6
234.62968	1.0
239.01906	5.5
247.02356	11.8
257.00839	1.2
259.02356	5.4
265.03455	2.1
275.01862	22.7
277.03516	4.4
285.00336	1.2
293.02814	1.8
303.01266	8.1
321.02560	4.6
339.03519	10.2
465.06561	3.2
465.45392	1.0
483.07718	100.0
484.08029	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36225	0.1
55.05515	0.2
56.05042	0.7
58.06637	0.5
59.07391	0.2
60.08167	7.0
67.05508	0.6
69.07069	0.2
70.06602	0.2
70.92720	0.2
71.07377	3.8
71.76404	0.1
79.05485	0.2
81.07055	0.5
86.09708	35.2
87.10048	0.4
93.07049	0.4
95.08612	0.4
98.98470	4.3
98.99121	0.2
104.10742	3.3
105.11095	0.2
107.08584	0.2
112.35419	0.1
125.00008	25.2
130.66380	0.1
143.01080	0.2
171.80028	0.1
174.75255	0.1
184.07347	100.0
185.07706	1.5
217.77502	0.1
226.60887	0.1
258.11078	0.2
500.31512	0.9
518.32257	0.8
539.87524	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05034	1.5
58.06581	1.7
59.07373	0.3
60.08168	18.3
67.05511	2.7
67.25726	0.2
69.07072	0.5
69.37574	1.6
71.07377	7.3
79.05492	1.8
81.07063	2.7
83.04993	0.3
83.08619	0.3
86.09709	51.6
87.10007	0.5
91.05482	1.0
93.07042	2.0
95.04980	0.2
95.08601	1.3
98.98473	5.0
104.10748	100.0
105.07054	0.6
105.11037	1.4
107.08601	0.5
109.10182	0.4
119.08562	0.5
121.10165	0.6
125.00008	29.5
131.08572	0.3
135.11722	0.3
140.10706	0.3
142.38730	0.2
143.01050	0.4
163.01587	0.6
184.07350	96.2
185.07736	0.9
252.06648	0.2
258.11093	1.3
335.25882	0.9
441.23975	0.4
500.31366	7.0
501.31488	0.6
518.32428	19.3
519.32855	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	518.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	59.7
55.86968	6.3
57.03439	10.3
57.07078	30.5
63.40959	5.2
67.05504	30.1
67.88407	5.6
69.07078	17.5
69.31174	32.0
71.08633	32.4
73.18317	5.7
79.05495	22.1
81.07059	36.8
83.04998	9.5
83.08615	40.2
85.10213	8.1
91.05478	7.6
93.07079	16.7
95.08630	21.1
97.10171	75.2
105.06982	7.9
107.08614	26.5
109.10180	12.7
111.08148	6.7
121.10126	6.8
125.09641	62.2
135.08066	8.4
164.07870	5.8
171.10135	5.7
189.11241	54.6
227.12819	100.0
245.13838	92.3
313.27396	87.8
421.18881	6.5
483.36890	48.4
484.36215	8.0
518.39142	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	519.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56120	0.3
55.01863	0.9
55.27846	0.3
57.03432	1.0
61.02931	0.6
66.13703	0.3
69.03432	35.4
70.03769	0.5
70.06598	0.4
71.01372	0.3
73.02906	0.3
79.05492	0.3
81.03440	0.3
85.02908	11.8
86.09705	0.4
87.04494	0.5
93.07065	0.4
97.02895	100.0
98.03243	1.7
103.30746	0.3
106.43005	0.2
115.03942	4.0
118.37624	0.3
120.08073	0.5
121.06544	0.3
121.10196	0.3
122.03672	0.5
123.04464	0.4
127.03909	2.3
133.10161	0.3
137.05984	4.8
139.03912	0.6
157.04973	27.0
158.05261	0.4
161.05988	0.5
175.06064	0.6
175.07401	0.7
217.07069	3.2
217.12088	0.3
229.01279	0.5
257.00830	0.9
275.01990	0.8
285.00342	0.6
303.01376	3.7
303.04733	0.4
381.01801	0.3
416.99680	0.3
461.77133	0.3
519.22028	4.5
527.91357	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	519.1136
Annotation	Herbacetin 8-(2'',3''-diacetylxyloside)
Peak:m/z	Relative Intensity
54.34252	0.4
54.81790	0.3
55.01863	1.0
59.89884	0.4
61.02922	0.6
68.37637	0.4
68.99800	0.8
69.03433	33.2
69.73065	2.0
70.03771	0.5
85.02912	11.5
89.54360	0.4
93.81832	0.4
95.04956	0.4
97.02895	92.4
98.03242	1.5
107.04933	0.4
109.02934	0.5
111.00828	1.1
115.03928	3.2
121.02870	1.4
127.03934	2.9
132.99438	0.4
135.04422	0.5
137.02361	4.8
149.02275	0.5
153.01825	5.6
155.04918	0.6
157.04974	25.2
163.03958	0.9
165.01833	2.4
166.02591	0.4
173.06029	0.8
183.02885	1.2
187.03973	0.8
201.05490	1.3
205.04800	0.5
217.07072	4.8
218.07780	0.4
229.04979	4.8
242.17554	0.4
247.05975	0.7
257.04449	3.7
274.04712	0.8
285.03967	2.0
303.04996	100.0
304.05371	4.4
315.05051	3.4
353.06491	1.2
357.05902	0.4
381.06000	3.1
399.07199	1.3
514.75183	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	519.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80127	0.6
55.05282	0.5
65.36863	0.6
67.05489	0.5
69.03431	26.8
69.77701	1.3
69.78082	1.1
81.03423	0.9
85.02890	1.3
95.04975	0.7
97.02895	100.0
98.03257	1.0
98.99973	0.5
115.03943	1.7
137.02367	2.2
138.19026	0.5
151.42349	0.5
153.01814	2.8
157.04987	8.1
163.03905	0.7
165.01892	1.4
170.15965	0.6
183.02901	0.8
201.05511	0.9
217.06949	0.8
229.05006	2.3
257.04492	1.7
303.04999	53.6
304.05417	1.9
311.17017	0.7
315.05032	1.2
381.06067	0.8
514.75269	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	519.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99976	0.3
65.59266	0.3
69.03424	0.6
69.69090	1.4
73.97504	0.4
78.68202	0.3
81.03439	0.4
81.07082	0.6
82.74139	0.4
82.74635	0.3
85.02917	1.2
85.45399	0.3
97.02915	0.6
98.23284	0.6
105.07104	0.5
107.08557	0.4
109.10159	0.5
115.03974	0.5
120.08060	0.4
121.06509	0.5
121.10151	0.5
127.03925	0.5
133.10121	0.5
137.05968	0.8
147.04512	0.3
151.03941	0.4
154.36891	0.3
155.63548	0.3
167.05600	0.7
185.04344	0.4
191.14351	0.4
194.06413	0.4
203.05295	1.2
204.06610	0.5
209.15385	0.5
212.07312	0.9
259.07956	1.3
276.55237	0.3
277.64566	0.3
299.06146	0.7
357.18878	2.6
363.03995	0.7
443.19354	0.4
459.22183	0.8
487.21622	1.5
519.24152	100.0
520.24384	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	519.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99854	1.4
67.05492	1.7
69.03413	2.7
70.04739	3.3
79.05453	1.8
84.62130	1.2
93.07051	1.4
97.02886	5.5
121.10060	1.4
129.34236	1.2
141.69238	1.5
173.66231	1.2
185.04233	2.3
186.09128	1.2
242.84831	1.5
262.20343	1.4
287.16162	39.9
288.16483	3.0
299.06229	2.0
303.04938	5.4
339.19217	2.1
357.20328	93.0
358.20764	4.7
409.22366	1.4
449.21478	40.1
450.21860	3.7
519.25580	100.0
520.25726	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	519.2932
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.05519	1.6
56.61316	0.8
57.03439	1.4
67.05504	3.8
69.07063	1.3
71.30397	0.9
79.05511	2.1
81.03403	1.0
81.07064	3.7
85.02943	1.0
93.07062	2.6
95.08569	0.9
105.07092	1.0
107.08582	2.1
107.95682	0.7
109.10142	1.1
111.31593	0.8
111.69788	0.7
117.64393	0.9
143.08557	0.9
184.07355	1.1
191.55908	0.9
235.13113	3.9
251.12582	5.9
255.21066	0.9
291.15643	7.4
299.06183	1.1
303.05038	1.3
307.15219	3.0
357.46338	0.9
464.57501	0.8
519.29309	100.0
520.29785	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2935
Annotation	Segetalin G
Peak:m/z	Relative Intensity
50.18663	0.5
53.20937	0.5
53.98699	0.5
57.03453	0.7
64.73846	0.6
69.03423	3.0
69.07065	0.7
69.84083	2.0
71.05001	1.0
79.05501	1.2
80.05013	0.7
81.03444	0.7
81.07068	1.7
84.04504	1.9
85.02923	1.2
85.98453	0.5
88.13566	0.5
93.07045	0.8
95.08604	1.0
97.02894	9.4
103.05501	0.8
105.07042	8.7
107.08628	1.2
109.06578	0.7
109.07685	1.0
109.10180	0.6
119.08598	0.9
121.06554	1.0
127.03938	0.6
131.08630	0.8
133.10172	1.5
137.05972	0.9
143.10738	0.8
145.06139	0.8
155.08221	1.4
157.05008	2.2
166.03275	0.8
167.14384	1.1
201.03680	2.7
203.05272	20.4
212.10730	4.8
219.17552	1.1
231.04448	1.2
269.05997	1.3
305.08545	0.9
353.13342	1.9
357.20361	0.9
390.14896	2.6
470.56488	0.6
493.14920	0.6
519.29449	100.0
520.29852	8.4
529.30328	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	519.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.4
51.80067	1.6
52.15888	1.6
53.03944	8.7
53.68771	1.4
55.01870	2.1
55.05514	23.0
57.03425	2.0
57.07079	52.7
58.34765	1.5
59.05006	1.5
65.03956	4.6
67.05509	65.3
69.03467	1.8
69.07076	18.9
69.54457	4.2
69.54862	4.0
71.05004	2.8
71.08640	32.5
73.06562	2.7
79.05497	64.1
81.03413	9.6
81.07061	59.9
83.04974	10.6
83.08628	20.4
85.06566	2.7
85.10175	16.3
91.05480	42.0
91.06001	2.5
93.07050	54.1
94.93047	2.0
95.04972	18.3
95.08607	56.5
97.06537	2.9
97.10159	10.5
98.22670	1.9
99.08096	2.2
103.05532	1.7
105.04517	3.1
105.07035	39.0
107.04947	7.6
107.08607	17.8
109.06516	3.9
109.10141	17.9
111.08068	1.8
111.11710	2.5
117.07037	5.4
119.08581	23.2
121.06482	2.2
121.10177	4.2
123.08071	5.9
123.11719	4.4
123.60688	1.6
127.07489	2.6
128.06226	3.3
129.06985	13.0
131.08556	2.1
133.10118	8.3
135.11713	2.0
137.13297	2.2
139.79378	1.6
143.08580	10.0
145.10132	9.2
147.08127	3.0
147.11691	36.8
147.12767	2.7
151.14771	1.8
161.09648	6.1
161.13295	10.9
171.11690	28.9
189.12799	11.5
207.13818	31.4
225.14952	3.4
239.23779	6.5
273.27502	1.5
281.17630	2.1
519.40503	100.0
520.40948	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	520.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03948	0.6
55.01883	0.3
62.39805	0.2
69.03429	1.3
70.87222	0.4
71.05004	0.2
79.01846	2.6
81.03416	5.1
81.31888	0.2
85.02903	1.1
93.65414	0.2
97.02900	2.5
99.04449	0.5
107.01326	1.1
109.02878	2.3
119.74162	0.2
121.06467	0.4
125.02346	2.0
127.03906	2.1
132.04453	9.1
137.05978	0.2
143.03398	3.7
145.04942	0.4
153.01828	58.1
153.02861	3.1
154.02190	1.6
156.62267	0.2
160.03973	0.6
171.02858	3.6
178.04988	68.4
179.05298	2.0
206.04485	100.0
207.04802	3.0
252.92252	0.2
287.05466	0.3
297.06061	5.0
315.07083	1.6
368.09726	0.5
520.10645	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	520.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.9
55.01871	1.6
59.17076	1.2
65.03949	13.4
67.05505	1.8
69.03428	1.2
70.66167	2.5
78.04732	2.7
79.05490	5.2
81.07078	1.1
82.04209	3.5
91.05470	13.2
91.05914	1.1
93.03401	3.3
93.07037	6.8
95.01333	2.9
95.04964	4.5
97.06528	1.3
103.05470	8.9
105.04517	1.9
105.07030	1.9
106.04192	1.5
107.04955	12.6
108.02082	1.9
110.03655	11.5
111.04450	12.6
115.05453	2.2
117.07006	1.5
119.04937	5.5
120.05728	31.2
120.06554	2.0
121.02867	10.0
121.06519	28.6
122.06892	1.6
123.04424	7.0
124.05227	2.8
125.05997	11.4
128.06252	1.4
131.04890	5.7
132.05740	3.0
133.02962	1.2
133.06499	1.8
135.04454	1.4
135.08112	1.1
137.05998	3.9
138.03140	1.9
138.09178	1.2
139.03879	1.8
140.04678	4.6
143.04985	2.6
145.02902	1.8
145.06525	8.7
149.02332	6.2
149.06018	2.0
151.03934	2.4
152.04755	1.8
153.05473	38.3
155.04945	1.9
155.05998	1.9
155.07077	5.6
158.03676	3.9
160.05188	1.5
161.06017	1.4
163.03947	2.8
165.06966	2.0
167.07043	66.5
168.05902	1.2
168.07376	2.0
170.03596	1.9
173.05963	12.6
175.03934	1.6
175.07449	1.1
177.05608	5.2
177.06958	1.8
178.07777	3.1
179.08546	2.5
181.04996	6.1
181.06451	2.1
185.05968	1.2
186.03142	4.2
187.07567	2.8
189.05551	1.4
189.07053	3.7
190.07742	2.7
191.07048	3.9
191.08569	2.5
192.07936	3.9
193.06610	2.5
194.07300	3.6
195.08083	3.1
198.03183	2.2
201.05467	83.5
202.05818	1.8
202.07751	1.8
203.06981	2.2
204.05710	1.5
205.06541	7.1
206.07278	4.2
207.06451	3.0
207.08124	8.2
208.08841	1.5
209.05995	1.5
209.09619	2.7
211.07539	2.4
213.05490	31.3
214.05952	1.5
216.04164	2.9
218.07358	5.1
219.08049	9.8
220.05261	4.7
221.05974	6.9
222.06714	6.5
223.07526	4.9
224.08305	1.7
229.06702	1.7
231.06488	27.0
232.05261	3.0
233.05984	5.1
233.08189	3.2
234.06735	7.0
235.03844	1.3
235.07513	14.3
236.08315	6.1
237.05565	2.6
237.09053	7.2
239.07054	1.7
245.05965	2.8
246.06766	6.9
247.07603	11.1
248.04707	2.8
248.08253	3.2
249.05472	9.7
249.09138	1.6
250.06310	14.6
250.08678	2.1
251.06992	7.2
251.10881	2.0
252.07860	4.0
253.08693	3.2
257.05936	2.2
260.04633	6.6
261.05527	5.5
261.09116	3.2
262.06165	5.3
263.07062	17.1
264.04013	1.6
264.07822	13.4
265.05481	2.2
265.08588	17.2
266.05786	2.4
266.09042	1.4
267.06540	3.3
267.10229	4.2
273.05551	1.5
274.06281	7.2
275.06964	12.8
276.07837	5.4
277.05005	10.0
277.08563	5.5
278.05713	4.5
278.09253	1.5
279.06534	6.7
279.10178	4.1
280.07333	4.2
281.08115	5.0
287.07028	1.4
288.04187	4.7
289.04944	4.0
289.08215	1.8
290.05765	5.0
291.06552	10.3
291.09647	1.4
292.07205	15.7
293.04639	2.1
293.08041	22.0
294.08337	4.3
295.05978	2.5
295.09460	8.5
297.07596	1.3
297.11075	1.9
302.05756	4.4
303.06509	31.1
304.07355	5.7
305.04477	11.8
305.08197	4.7
306.04901	1.9
306.08185	2.7
307.06277	2.1
307.09610	10.4
308.06592	2.3
308.09756	1.6
309.07541	3.5
310.07965	2.5
310.11093	2.0
317.08118	2.7
319.06009	2.0
320.06781	23.5
321.07510	10.5
321.10919	2.1
322.08344	4.8
323.09097	13.9
324.09671	5.3
325.10614	10.8
326.11087	1.4
327.12277	7.3
333.07474	2.2
334.08267	1.7
335.09131	57.0
336.09421	4.4
337.07037	2.7
337.10712	6.7
338.10684	8.1
339.12772	3.8
340.11862	3.0
349.10950	1.5
351.08383	2.3
352.09286	3.7
353.10196	41.7
354.10239	2.6
355.11768	19.9
362.05573	1.2
365.10272	21.0
366.09958	3.0
367.11771	100.0
368.11990	5.1
380.15149	5.2
382.12820	1.7
385.12814	13.7
414.15488	5.0
428.14948	1.7
458.16000	25.2
458.22357	1.5
459.16534	2.2
460.17773	2.3
462.19122	3.3
470.16110	1.6
474.19025	4.2
488.17816	1.7
490.18637	35.1
491.19028	3.7
502.18704	16.6
503.18723	1.8
520.20270	8.7
521.40668	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05515	8.7
56.05035	0.7
57.03442	7.5
57.07057	0.9
57.68741	0.6
58.99716	0.5
60.04520	1.0
60.08168	6.0
60.72916	0.5
65.03934	1.8
67.05508	36.5
68.05857	0.9
69.07068	8.5
69.11025	1.0
69.11432	3.8
70.02951	0.6
71.04988	0.7
71.07378	3.4
79.05495	17.8
81.07060	27.8
82.07352	0.6
83.04964	0.6
83.08616	3.4
85.06570	0.7
86.09708	25.9
87.10030	6.7
88.03987	6.9
91.05482	7.9
93.07045	18.3
95.04968	1.7
95.08610	22.8
97.06546	1.4
97.10165	1.3
98.23306	1.0
98.98471	10.5
104.10746	1.9
105.07045	4.5
106.05038	1.4
107.08611	7.8
109.06516	1.0
109.10160	8.6
110.10474	0.7
111.08097	0.9
117.07038	1.7
119.08592	4.8
121.10147	7.5
123.11719	1.6
124.93826	0.9
125.00002	17.5
126.00375	2.7
127.00411	4.5
131.08571	2.8
133.10114	2.2
135.11673	2.6
136.65950	0.5
145.10121	1.6
147.11711	1.5
149.13306	1.6
155.00981	0.8
159.11734	1.3
161.13313	1.0
163.14841	1.0
173.02170	1.1
173.13205	0.7
184.07349	59.5
184.48375	0.6
185.07710	21.2
186.07797	14.7
261.22107	1.5
318.71603	0.6
335.25806	100.0
336.26172	5.8
348.25363	1.8
355.92874	0.6
402.04645	0.6
502.32150	1.0
520.32971	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05515	8.7
56.05035	0.7
57.03442	7.5
57.07057	0.9
57.68741	0.6
58.99716	0.5
60.04520	1.0
60.08168	6.0
60.72916	0.5
65.03934	1.8
67.05508	36.5
68.05857	0.9
69.07068	8.5
69.11025	1.0
69.11432	3.8
70.02951	0.6
71.04988	0.7
71.07378	3.4
79.05495	17.8
81.07060	27.8
82.07352	0.6
83.04964	0.6
83.08616	3.4
85.06570	0.7
86.09708	25.9
87.10030	6.7
88.03987	6.9
91.05482	7.9
93.07045	18.3
95.04968	1.7
95.08610	22.8
97.06546	1.4
97.10165	1.3
98.23306	1.0
98.98471	10.5
104.10746	1.9
105.07045	4.5
106.05038	1.4
107.08611	7.8
109.06516	1.0
109.10160	8.6
110.10474	0.7
111.08097	0.9
117.07038	1.7
119.08592	4.8
121.10147	7.5
123.11719	1.6
124.93826	0.9
125.00002	17.5
126.00375	2.7
127.00411	4.5
131.08571	2.8
133.10114	2.2
135.11673	2.6
136.65950	0.5
145.10121	1.6
147.11711	1.5
149.13306	1.6
155.00981	0.8
159.11734	1.3
161.13313	1.0
163.14841	1.0
173.02170	1.1
173.13205	0.7
184.07349	59.5
184.48375	0.6
185.07710	21.2
186.07797	14.7
261.22107	1.5
318.71603	0.6
335.25806	100.0
336.26172	5.8
348.25363	1.8
355.92874	0.6
402.04645	0.6
502.32150	1.0
520.32971	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.05514	8.3
57.03434	2.1
61.02933	2.6
67.05507	5.4
69.03439	11.6
69.07079	3.0
71.04988	2.3
79.05483	5.1
79.84441	1.5
81.03432	5.9
81.07068	9.7
83.04987	4.8
83.08613	2.9
85.02911	22.3
85.06564	2.6
86.09672	2.1
87.04467	6.6
91.05463	3.7
93.07047	6.3
95.04964	6.6
95.08604	4.0
96.39667	1.5
97.02904	7.2
97.06567	3.3
98.23499	2.6
99.04481	3.8
103.03896	1.9
105.07042	7.8
107.08617	9.3
109.02892	4.6
109.06533	11.2
109.10160	12.6
115.03947	20.8
119.08606	4.4
121.06483	2.9
121.10173	6.7
123.08055	1.9
123.11701	2.9
125.09658	2.5
127.03941	13.0
131.08612	3.9
133.04961	5.9
133.10139	20.3
135.04382	1.5
135.08148	2.9
137.06033	2.9
145.04967	12.7
145.10143	5.2
147.11728	4.7
149.09555	1.7
149.13271	3.4
151.11198	8.2
153.01878	4.9
153.09149	5.9
163.03998	3.4
163.05928	2.3
165.12892	1.6
167.14369	6.8
173.13246	11.4
175.14880	2.7
182.55931	1.6
191.14336	10.8
209.15382	44.2
227.16499	4.4
233.08089	4.0
259.08069	4.3
277.09253	4.1
299.06155	2.0
317.02832	4.3
337.05225	3.7
358.19522	1.8
520.24524	100.0
521.24768	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.5
62.99176	4.9
63.92936	5.5
67.05499	15.3
69.03440	16.2
69.07068	17.6
69.25728	37.3
71.04975	26.5
79.05493	14.9
81.03415	6.5
81.07047	29.1
83.08652	8.0
85.02911	20.7
86.09719	12.3
91.05484	18.7
93.07028	32.0
95.04964	5.6
95.08607	51.3
95.10603	5.7
97.02887	30.2
105.01880	7.1
105.07043	42.7
107.08611	35.3
109.10151	18.0
117.06999	7.4
119.08585	21.0
120.08125	13.3
121.10143	20.5
123.11729	13.4
125.09629	31.9
127.03864	9.9
130.06519	7.0
131.08572	11.5
133.10123	55.8
139.03860	9.6
143.10640	27.6
145.10106	11.7
147.11671	15.4
149.13249	27.4
159.11705	16.3
161.13303	10.0
167.14310	100.0
172.86497	6.9
177.05501	6.5
201.16339	10.7
219.17439	41.9
254.26329	6.0
280.21570	5.4
403.28879	7.0
503.24600	7.1
520.22784	12.9
521.26862	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.6
57.07064	2.9
67.05492	12.5
68.17141	3.1
69.03419	12.6
69.07057	9.8
70.06589	4.2
70.47014	6.3
71.04997	36.4
73.06562	5.4
75.88499	2.9
75.92587	2.8
78.18004	3.4
79.05497	13.9
81.03412	6.0
81.07049	31.9
82.06550	2.9
83.04974	3.2
83.08631	5.5
85.02895	13.4
85.06532	3.5
86.09698	3.6
87.00818	5.6
91.05489	12.2
91.25872	3.1
93.07051	28.3
95.04967	4.7
95.08611	43.1
97.02895	16.7
97.06526	3.3
97.10172	3.4
99.08076	5.8
105.01881	6.3
105.07040	50.8
107.08586	28.3
109.02831	4.5
109.10138	22.9
117.06955	3.4
119.08578	13.8
120.08101	4.4
121.06488	3.1
121.10139	19.5
123.11729	6.1
125.09623	24.7
127.03909	9.2
127.07591	3.5
131.08571	7.2
133.10130	57.8
134.10422	3.5
135.11722	6.4
139.03947	2.8
143.10695	34.5
145.10152	11.8
147.11679	17.5
149.13272	31.5
157.10075	3.7
159.11667	10.4
159.87535	2.8
161.13284	6.5
167.14319	100.0
168.14655	6.2
177.05525	4.9
191.10567	3.3
201.16399	13.0
219.17444	45.6
237.18498	5.3
358.16440	4.6
520.20660	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	520.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57003	0.6
66.63091	0.7
69.90515	1.2
69.90876	2.1
70.06579	2.0
70.16277	0.6
73.06554	1.3
81.86117	0.6
86.09711	2.2
87.03994	1.0
87.04475	10.3
89.06033	100.0
91.07602	0.7
107.07084	2.3
117.09116	0.9
131.07065	2.5
133.08607	63.4
134.08934	1.3
137.05954	0.9
153.90063	0.6
175.09625	1.7
177.11227	21.7
199.08203	0.7
221.13895	4.2
239.14693	0.8
265.16275	0.9
283.17590	1.3
415.25235	0.8
449.75192	0.6
458.30402	0.7
502.58218	0.7
503.30710	5.8
520.33533	1.3
549.50720	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05042	0.7
57.03437	0.2
58.06634	0.5
59.07146	0.1
59.07403	0.1
60.08167	6.5
67.05507	0.5
69.07061	0.3
69.59994	0.2
69.60399	0.3
70.06599	0.2
71.07377	3.5
79.05476	0.1
81.07057	0.5
83.08633	0.1
86.09709	32.7
87.10052	0.5
91.05482	0.1
92.99568	0.1
93.07062	0.2
95.08610	0.3
98.23254	0.1
98.98466	3.5
104.10746	3.5
109.10204	0.1
125.00008	23.7
126.00335	0.2
137.53574	0.1
143.01056	0.2
146.57382	0.1
173.39110	0.1
184.07347	100.0
185.07692	1.2
258.11090	0.2
337.27524	0.2
361.71237	0.1
477.85574	0.1
502.33066	0.9
519.77441	0.1
520.33893	1.2
521.34271	0.1
532.71332	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60810	0.4
55.05495	1.5
56.05028	1.7
57.03434	0.6
58.06604	2.0
60.08167	21.9
65.67230	0.4
67.05508	3.4
69.07062	1.5
69.84284	0.9
69.84669	1.0
71.07378	8.6
77.20927	0.5
78.92271	0.5
79.05488	1.2
79.12550	0.5
81.07071	3.3
86.09708	59.0
87.10036	1.2
91.34441	0.4
93.07031	0.7
95.08594	1.9
98.98468	6.6
100.36372	0.5
104.10746	99.8
105.11096	1.7
125.00010	34.1
155.12804	0.4
184.07347	100.0
185.07681	1.3
258.11038	1.6
337.27481	1.0
397.54272	0.5
502.32892	8.4
503.33572	0.7
513.05780	0.5
520.33972	18.3
521.34204	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	521.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46000	100.0
69.79194	18.2
77.47137	20.9
79.10320	19.3
90.60874	18.1
93.71846	18.5
121.06531	50.1
154.66211	22.0
181.56502	23.2
219.31824	22.4
328.01895	21.9
521.03143	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01859	0.7
55.14426	0.7
57.03431	1.4
59.62097	0.7
69.03430	12.4
71.04993	1.9
73.02905	1.6
73.84189	0.7
78.46737	0.7
79.05479	0.9
81.03423	24.0
85.02911	8.7
91.05445	3.8
93.07046	2.6
95.04951	1.0
97.02890	9.1
99.04461	2.9
103.05465	2.4
104.81289	0.8
107.04973	2.1
109.02879	15.2
115.05455	4.7
117.07030	2.4
119.04952	0.8
121.06492	10.5
123.04433	3.0
125.06070	0.7
127.03932	10.6
129.07060	0.8
131.04950	2.8
135.04347	0.8
137.05978	6.2
139.03896	1.1
142.56120	0.7
143.04890	1.1
145.05049	1.0
145.06483	4.6
146.03629	1.7
147.04442	0.9
151.03896	2.2
153.01830	3.2
159.08052	1.1
160.05209	2.2
161.05994	2.8
163.07584	1.8
164.07124	1.0
167.07043	19.7
172.05232	0.9
173.06001	2.9
175.07556	9.0
177.05537	1.0
179.03430	1.9
181.04970	3.1
187.06026	9.0
187.07578	5.1
189.01834	0.9
189.09155	0.8
190.06204	1.0
190.07924	0.8
191.07108	1.3
205.08627	1.4
207.06549	1.4
233.08202	1.1
235.09662	3.0
243.02927	2.1
246.01619	3.1
249.09055	1.0
257.00772	3.6
264.57101	0.8
266.09494	0.8
271.02414	2.8
273.03900	0.9
285.00122	1.8
299.01941	1.1
302.00595	32.1
303.00949	2.1
317.02933	100.0
318.03244	5.2
341.13751	2.4
351.14224	1.4
474.85236	0.9
521.16534	2.2
522.20697	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	521.1295
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03902	1.3
55.01851	0.9
57.03398	0.6
59.44830	0.4
61.02901	0.8
63.83791	0.4
66.38516	0.4
69.03435	6.2
71.04984	1.0
73.02908	0.4
77.35210	0.5
81.03423	3.6
84.04485	0.4
85.02914	6.3
87.04429	0.6
91.05431	1.6
93.06995	1.7
97.02902	8.4
99.04413	1.8
100.13583	0.4
100.86653	0.5
103.05453	0.7
109.02844	1.4
109.10152	0.5
110.03619	1.1
117.03362	0.9
119.04900	0.5
120.05722	3.5
121.06518	8.1
127.03948	3.6
135.07976	0.5
137.02318	1.9
145.02946	2.0
145.04948	4.4
153.01819	1.8
175.03876	0.8
177.05490	2.6
186.03252	0.5
192.06537	1.0
200.04631	1.0
201.05402	0.8
203.07127	0.4
204.04153	0.7
208.09749	0.6
217.05026	0.5
228.04210	2.9
229.04961	2.4
245.04427	1.5
245.06796	0.4
246.05267	0.5
248.73021	0.4
256.03616	0.6
257.04410	1.5
273.03879	1.1
274.04715	5.8
280.07108	0.4
285.04004	1.2
301.03433	14.8
302.04227	61.8
303.04538	2.8
316.05746	0.5
317.06573	100.0
318.06931	5.5
345.06073	3.9
372.72559	0.4
384.14444	3.9
451.23187	0.8
454.46252	0.4
461.10867	0.6
503.24725	1.4
521.12970	14.4
521.18896	0.6
521.27264	7.6
522.13165	1.0
522.27673	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	521.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01856	0.3
56.05010	0.4
57.74919	0.2
62.64814	0.2
67.62770	0.2
67.80497	0.2
69.24038	1.3
72.31465	0.2
74.00649	0.6
76.03992	2.0
77.03909	0.3
80.04998	0.3
83.06079	0.4
84.04049	0.4
84.04506	4.9
85.04026	1.9
87.94848	0.2
89.13672	0.2
91.05479	3.9
92.01675	0.6
93.05804	1.2
93.07047	7.6
94.06583	1.3
95.04984	1.4
96.08101	0.3
98.00629	0.2
98.22552	0.4
99.05567	0.9
99.31622	0.2
103.05462	4.6
105.04533	0.4
107.04959	6.5
107.92066	0.2
109.07590	0.3
112.02213	0.2
112.03954	0.5
113.03479	0.4
119.33442	0.2
120.05732	0.4
121.06507	88.2
122.06853	1.8
124.02220	0.3
126.03741	21.0
127.04049	0.3
128.05284	0.6
129.06641	0.2
130.05019	2.9
131.04549	1.0
135.02559	0.2
139.03246	0.5
140.05281	1.8
145.06078	1.1
147.08015	0.9
149.03844	0.4
152.05278	3.1
153.06615	0.5
155.08257	0.2
159.02299	0.4
160.00671	0.3
177.01749	0.5
177.03275	4.8
178.85806	0.2
179.06487	0.3
180.04771	4.5
181.06122	0.6
185.03809	2.5
185.08412	0.6
187.50850	0.2
192.03888	1.4
193.07953	1.2
198.09146	13.4
199.07138	0.4
199.09587	0.6
201.05519	0.3
212.10786	0.5
213.11488	23.0
213.90976	0.2
214.12245	6.9
215.12852	0.2
216.13835	1.9
217.05652	0.2
218.06296	0.3
231.04347	8.1
235.08952	0.3
246.09477	100.0
247.09779	4.5
248.11043	1.9
272.11020	4.2
273.11462	0.4
282.14963	0.4
288.06494	1.0
289.13681	1.7
299.12094	2.1
300.10516	12.4
301.10904	0.8
306.07684	0.7
317.13208	6.0
317.16800	0.3
351.14322	0.5
355.14755	2.4
383.14334	0.3
392.16397	6.3
392.21442	0.3
393.16873	0.8
408.35007	0.2
428.16583	0.9
446.17746	0.8
490.18213	0.2
521.20398	9.8
522.20471	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	521.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24049	0.7
53.03943	1.0
55.01856	1.0
56.05040	0.8
56.22663	0.5
62.57771	0.6
66.57001	0.8
70.02950	2.1
71.28880	0.8
72.92276	0.6
74.00652	1.2
76.04004	3.9
79.05494	1.0
81.07068	0.6
83.06094	1.1
84.04501	9.4
85.04029	2.7
91.05463	3.7
92.01714	0.9
93.07040	8.2
94.06576	0.8
95.04981	0.9
96.08126	1.2
99.05568	2.0
103.05465	5.5
105.07028	8.5
107.04974	2.5
107.06064	0.6
110.05991	0.6
113.03529	0.8
121.06504	80.5
122.06855	1.8
123.04411	0.6
126.03752	6.9
128.05313	1.8
129.06602	0.9
130.04993	5.1
131.04582	1.0
134.06001	0.6
135.05544	0.7
140.05316	1.9
145.06087	5.4
149.03801	1.1
151.02101	0.7
152.05278	5.3
153.06673	0.9
164.31290	0.6
177.03314	6.1
179.06352	0.8
180.04759	7.8
181.06067	1.2
185.03755	1.9
197.13249	0.7
198.09145	73.6
199.07401	0.5
199.09482	3.2
201.05542	0.8
212.10742	0.9
213.11481	91.3
214.12120	11.3
215.12775	0.7
216.13887	3.0
231.04359	5.4
246.09479	100.0
247.09761	4.7
248.11066	8.4
257.07840	0.6
272.11017	6.1
273.11392	0.7
282.14990	0.8
288.06433	1.2
289.13681	2.9
298.63821	0.6
299.12177	1.6
300.10562	10.8
301.10995	0.7
306.07437	0.9
317.13177	15.3
318.13605	0.9
321.72278	0.6
344.01083	0.6
355.14713	2.2
383.14215	1.0
392.16367	17.5
393.16714	1.8
428.16336	3.5
473.22641	0.5
521.20020	5.3
521.26697	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	522.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03937	3.4
55.01877	0.9
56.78595	0.6
71.30790	0.9
71.58586	0.9
77.03943	1.3
78.04705	2.1
78.54333	0.8
79.05495	6.2
81.03420	33.6
81.07046	1.9
91.05482	11.8
93.07053	12.4
94.04152	1.3
95.04974	4.2
97.52735	0.7
103.05470	12.3
105.03400	1.1
105.04536	1.8
105.07013	1.4
106.04186	1.2
107.04966	13.1
109.06536	1.5
115.05447	11.6
117.07008	7.8
118.04189	1.2
119.04943	2.2
119.08586	0.9
121.06509	66.6
122.03649	2.8
122.06791	1.3
123.04446	5.9
124.05216	3.8
125.06001	1.2
127.05436	0.8
129.07014	0.9
130.04117	1.0
131.04935	7.8
134.03601	1.2
137.05986	21.4
138.09151	2.8
140.04683	1.9
143.04927	6.5
144.05692	3.1
145.02824	1.5
145.06500	12.0
146.03635	3.0
147.04436	1.3
147.08046	1.6
149.06023	1.3
151.03880	3.8
152.04680	2.4
153.05484	1.7
155.04922	1.3
155.06017	1.6
155.07115	1.2
158.03661	1.0
159.04440	1.0
160.05222	11.4
161.06012	9.6
163.07524	5.6
164.07071	4.1
165.05522	1.0
165.09129	1.2
167.07048	100.0
168.07420	3.7
172.05197	4.1
173.05984	13.5
175.07555	44.5
176.04659	1.4
176.07889	1.8
177.05492	3.7
177.09114	2.6
179.07111	0.8
181.04955	2.1
186.03058	1.7
187.07549	26.8
188.08005	1.0
189.05499	1.3
190.06204	4.5
191.07045	5.5
191.08603	1.2
192.07809	2.6
197.08055	1.5
201.05426	44.2
202.05804	2.2
203.07060	2.1
205.06677	1.6
205.08589	9.0
206.07211	1.4
207.06470	1.1
207.08211	1.6
207.10083	1.6
213.05475	2.4
217.08583	2.3
219.08130	1.4
221.05981	1.3
221.09659	1.1
223.07637	1.7
230.08124	2.6
231.06485	8.5
233.05881	1.3
233.08101	2.1
234.06757	2.7
235.07556	2.4
235.09645	16.9
237.09096	1.2
247.07518	1.1
248.08737	0.9
249.05418	1.4
249.09122	3.1
250.09372	0.8
251.06970	1.5
252.07870	1.4
263.07080	2.8
264.07806	2.3
265.08725	1.1
266.09076	1.0
267.10074	1.0
276.08054	0.9
277.08499	4.7
278.09470	1.6
279.06927	1.3
279.09985	1.5
281.08371	1.3
281.11707	2.4
283.09741	1.2
289.10687	4.2
291.10254	0.9
292.07205	1.3
293.08081	2.9
294.08850	1.5
295.09552	2.0
302.03830	0.9
307.09650	1.9
308.95523	0.8
309.07672	1.1
309.11166	5.9
313.10831	1.0
317.06500	1.3
318.07092	1.0
323.09308	1.0
326.11453	3.9
327.12061	2.2
328.12152	1.0
329.13663	1.1
335.09119	3.4
337.10773	1.5
338.13922	14.0
339.12311	2.7
341.13843	11.4
342.13919	1.2
350.13861	2.6
355.11829	8.0
367.11758	5.7
368.14948	3.4
370.16458	2.6
385.12762	5.6
398.15952	1.5
492.20020	4.2
504.20370	8.3
522.21252	15.6
522.27789	1.8
523.21442	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	522.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01883	0.9
62.78735	0.7
65.03957	1.0
67.05529	0.7
69.03446	2.1
71.30742	1.1
77.03931	0.8
78.04734	2.2
79.05476	3.6
81.03422	44.1
81.07037	1.4
85.02926	1.4
91.05480	7.9
93.07030	7.1
94.04216	0.9
95.04979	3.0
98.03230	0.8
103.05470	12.4
104.95872	0.8
105.04514	1.0
105.07042	1.9
107.04945	6.1
109.02924	1.3
109.06541	1.8
115.05460	12.1
117.07030	8.6
118.04180	0.8
119.04962	2.2
121.06511	49.6
121.10198	0.9
122.03671	2.3
122.06845	1.1
123.04423	8.0
124.05221	2.9
125.05997	1.4
127.03911	1.6
129.06998	1.5
131.04922	8.2
131.05638	0.7
132.05711	1.6
133.02805	0.8
133.06416	1.2
134.03616	0.8
135.04382	1.0
137.05980	27.9
138.09210	1.0
140.04674	1.9
143.04916	6.5
144.05695	3.4
145.06488	11.2
146.03609	4.1
147.04375	1.5
147.08047	1.7
149.05977	1.0
151.03905	2.7
152.04688	2.1
153.05522	2.1
155.05991	3.9
155.07085	2.6
156.05728	2.1
160.05200	11.4
160.06506	1.1
161.06000	12.8
163.07561	5.9
164.07053	4.9
165.05441	1.2
167.07051	100.0
168.07422	2.2
172.05238	2.8
173.05994	11.2
174.03995	1.0
174.06703	0.8
175.07559	47.3
176.04729	1.3
176.07918	1.3
177.05450	1.3
177.09149	2.3
181.05019	2.3
187.07552	32.2
188.08014	1.0
189.05498	1.5
190.06267	5.9
191.07001	4.0
192.07838	1.6
197.07936	1.2
201.05424	4.8
203.06966	1.3
203.08705	0.8
205.06697	1.5
205.08580	9.8
206.07248	1.1
207.08302	0.9
207.10066	1.7
211.07574	0.9
216.10107	1.1
217.08499	3.8
219.08118	1.7
221.09656	1.0
231.06383	1.2
233.08116	2.6
234.06810	2.1
235.07397	1.9
235.09644	20.6
237.09114	1.2
247.07628	1.1
248.08755	1.2
249.09117	3.2
251.06897	1.8
254.26747	0.8
263.07184	1.0
263.10770	0.8
264.07901	1.1
264.10632	0.9
265.08694	1.5
266.09378	1.2
267.06586	0.8
267.10135	1.7
269.08038	1.3
277.08417	4.1
281.11771	2.5
289.10666	5.3
294.08893	1.1
301.10858	1.1
303.00943	2.1
307.09659	1.5
309.11130	7.4
314.11584	1.2
317.03003	3.7
318.03366	7.3
326.11520	2.6
329.13776	1.1
338.13943	3.0
339.12149	4.0
341.13852	14.0
355.11804	1.8
367.11914	1.7
368.14917	4.7
370.16733	4.0
398.16003	1.8
522.21954	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	522.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05513	6.3
56.05027	1.2
57.03444	3.7
57.07072	0.8
58.06609	2.2
60.08166	21.2
61.07853	0.5
61.08499	4.1
65.03958	0.6
67.05507	14.6
68.05824	1.2
69.03899	4.2
69.07069	8.3
71.07374	9.1
72.07051	0.6
72.07701	2.4
79.05499	4.9
81.07054	13.2
82.07377	0.8
83.04959	0.4
83.08614	4.1
86.09705	57.7
87.09470	1.2
87.10033	16.1
88.03962	2.5
88.10352	1.1
91.05473	2.2
93.07030	3.5
94.75346	0.4
95.08611	8.1
96.08929	0.7
97.06527	0.7
97.10158	1.6
98.98467	7.6
100.98893	1.0
104.10743	100.0
105.07044	2.1
105.10452	2.1
105.11074	31.6
106.05041	0.7
106.11241	5.0
107.08598	1.4
109.10184	3.5
119.08572	0.8
121.10129	1.7
123.11718	1.7
124.93822	0.6
125.00005	32.1
126.00335	4.2
127.00436	6.5
133.10130	1.4
135.11667	0.7
137.13197	0.5
147.11668	0.8
155.01112	0.8
156.43890	0.5
173.02106	0.6
183.52847	0.5
184.07343	82.6
185.07704	29.7
186.07787	23.9
206.19666	0.5
232.58771	0.5
258.11273	0.8
259.11401	0.5
337.27353	42.0
338.27826	1.7
339.27908	0.7
350.27017	0.9
458.74619	0.5
461.20355	0.8
477.87543	0.5
504.33496	11.7
522.26721	1.5
522.34576	32.1
523.34302	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	522.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.76712	0.5
55.05247	0.9
55.05514	15.0
57.03439	8.1
57.07072	2.4
58.06608	0.6
60.04518	0.8
60.08168	3.9
61.08511	0.9
65.03947	1.0
67.05508	28.3
69.01180	4.2
69.07072	16.9
71.05010	0.7
71.07374	2.2
71.08645	1.2
72.07695	0.9
79.05500	9.8
81.03448	0.6
81.07061	27.3
83.08623	7.8
86.09707	19.8
87.10039	4.9
88.03997	6.9
91.05476	4.8
93.07038	7.5
95.08607	22.2
96.93751	0.6
97.06535	1.9
97.10150	3.4
98.22643	1.2
98.98475	8.3
99.08146	0.6
104.10747	1.8
105.07034	4.0
106.05009	1.5
107.08612	3.9
109.10151	7.4
111.08105	0.8
111.11718	0.9
119.08582	3.8
121.10137	2.8
123.11687	2.9
124.93780	1.9
124.99999	14.2
125.09569	0.9
126.00347	2.5
127.00418	2.9
133.10117	3.2
135.11723	1.8
137.13245	1.1
147.11656	1.8
149.13275	0.7
161.13271	1.2
163.14877	0.7
167.98010	1.3
173.02133	1.0
175.14804	0.6
184.07343	46.8
185.07703	19.8
186.07805	13.1
198.97490	2.5
228.23083	0.7
245.22673	0.8
257.82886	0.6
263.23755	1.8
292.17358	0.5
337.27356	100.0
338.27786	6.5
350.26901	2.4
522.25519	3.4
522.32251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.8
58.00780	7.7
63.16518	7.6
63.97917	8.2
66.85490	7.2
68.27503	7.9
68.99165	70.2
76.00511	6.7
81.03421	15.0
81.07063	17.7
85.02908	16.0
93.07079	11.8
97.02883	9.4
105.07002	10.8
107.08611	13.9
109.10144	10.7
119.08589	16.0
121.06517	19.4
127.03902	17.3
133.10143	9.6
133.74965	8.0
135.11713	23.7
167.07047	29.9
175.07635	13.5
187.07529	13.5
203.05515	8.5
203.17917	12.8
221.19038	11.3
230.91821	8.2
237.61339	8.3
341.13840	8.2
343.22269	13.5
345.23746	10.4
463.17987	9.4
479.22452	13.5
522.20526	11.2
522.27698	21.4
523.21680	15.3
523.28717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37632	0.1
55.05515	0.3
56.05043	0.5
57.07066	0.2
58.06634	0.4
60.08167	6.5
61.96022	0.1
62.29565	0.1
67.05515	0.2
69.07072	0.5
69.16463	0.5
69.16895	0.6
71.07373	3.5
81.07051	0.3
83.08607	0.2
86.09708	32.3
87.10037	0.4
92.15386	0.1
93.07063	0.2
98.98472	3.5
104.10747	2.8
125.00008	23.2
126.00424	0.2
164.06384	0.1
184.07347	100.0
185.07678	1.3
196.29401	0.2
198.54916	0.1
228.00087	0.1
236.58798	0.1
328.21188	0.1
351.72217	0.2
496.73206	0.1
504.34506	0.8
522.35608	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46644	0.1
55.05504	0.5
56.05030	0.7
57.03481	0.1
57.07086	0.3
58.06618	0.5
60.08164	6.2
60.79567	0.1
67.05505	0.5
69.07056	0.6
71.07374	3.2
80.97430	0.2
81.07053	0.4
83.08617	0.3
86.09707	32.7
87.10041	0.4
93.07061	0.3
95.08619	0.3
98.22533	0.2
98.98470	3.8
104.10745	3.0
109.10148	0.3
121.67101	0.1
122.32043	0.1
125.00005	22.1
143.01070	0.2
146.89790	0.1
181.10161	0.1
184.07343	100.0
185.07660	1.4
186.07715	0.1
190.23639	0.1
258.10977	0.2
337.27368	0.2
339.28983	0.2
396.65036	0.1
504.34604	1.2
522.35693	1.5
523.35608	0.1
534.62207	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	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.7
56.05043	1.5
57.03442	0.4
57.07084	0.4
58.06608	1.3
59.07349	0.5
60.08167	17.7
63.23889	0.3
67.05496	1.3
69.07069	2.1
69.57577	0.8
69.57991	0.8
71.06988	0.4
71.07375	6.7
77.59013	0.3
79.05500	0.9
81.07051	1.7
83.08622	1.3
86.09709	49.9
87.10024	0.7
93.07056	0.7
94.96275	0.3
95.08611	1.0
97.10162	0.4
97.57107	0.3
98.98477	3.8
104.10747	98.7
105.11082	1.5
107.06068	0.3
107.08603	0.5
109.10173	0.3
115.40905	0.3
121.10131	0.4
125.00007	27.4
135.11630	0.4
139.35330	0.3
154.75650	0.3
163.01576	1.0
184.07349	100.0
185.07721	1.5
258.11053	1.2
328.01846	0.3
339.28958	1.3
445.26520	0.4
504.34418	7.4
505.35052	0.5
522.35590	24.5
523.36011	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	523.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43740	18.0
56.85589	18.3
59.20396	18.2
71.06715	30.8
80.01304	18.2
153.01834	56.4
179.67427	27.6
188.36301	21.4
207.72433	20.5
249.39026	18.9
353.02789	100.0
470.18295	21.8
472.13403	26.1
523.05054	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62450	18.2
70.18031	66.4
71.33765	19.3
93.68308	20.6
121.06525	100.0
138.09196	22.2
153.01892	29.2
155.70474	22.6
166.72609	20.1
226.98640	32.7
228.02252	22.1
257.56741	20.8
523.05402	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02542	29.7
51.70096	34.1
69.56219	32.4
70.06599	31.3
70.41068	65.0
70.41447	67.0
88.11271	75.6
98.22646	38.1
101.17883	32.7
121.06541	34.0
153.01840	55.1
220.93858	34.4
226.98770	41.7
244.95811	33.0
447.75137	34.3
477.94617	31.0
523.05212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1449
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.62094	0.3
54.84444	0.3
55.78075	0.3
56.78682	0.3
63.17801	0.3
69.03410	0.5
69.19696	2.4
70.06595	0.4
70.46995	0.3
79.05478	0.4
85.02889	0.7
95.04968	0.3
97.02908	0.4
109.01810	0.3
113.37064	0.4
119.84309	0.3
121.06525	1.8
131.04944	0.3
131.08562	0.4
136.07515	0.3
137.02386	0.6
137.05998	0.8
141.07011	0.4
145.06444	0.5
151.03868	0.4
153.01837	0.9
159.08075	0.4
161.05966	0.3
164.06967	0.3
165.01923	0.4
167.03413	1.1
167.07126	0.6
174.06882	0.4
181.05005	0.4
186.06581	0.4
189.05476	0.7
189.09090	0.9
191.21518	0.3
195.25800	0.3
197.05965	0.4
201.05504	1.1
201.09077	0.6
201.12001	0.3
203.07172	0.6
219.10152	2.7
226.06212	0.7
229.04921	2.4
233.04539	0.7
240.04384	0.6
241.05025	0.5
242.05653	0.3
243.06641	0.4
247.05986	0.5
254.05807	0.8
255.06352	0.5
257.04507	6.1
258.05093	0.5
269.04449	0.8
271.05991	0.4
272.06802	0.7
274.04742	0.3
275.05508	1.4
283.05984	0.4
285.03976	3.9
299.05508	0.8
300.06290	22.3
301.03751	0.4
301.06601	1.6
302.04205	0.7
303.04977	3.7
311.05508	0.6
313.03409	1.2
315.04935	2.6
316.02240	0.7
316.05615	0.6
317.06442	2.1
319.04404	0.6
327.04993	1.8
328.05777	7.8
328.09579	0.5
329.06470	2.9
331.04483	16.5
332.04962	2.2
343.11774	0.9
345.06042	7.3
346.03415	0.6
346.06836	14.1
347.07172	1.2
361.09192	100.0
362.09503	6.4
523.14447	28.9
524.14465	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	523.1449
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.26840	0.3
56.69213	0.3
66.18615	0.2
69.03417	0.2
71.30730	0.4
72.08153	0.3
86.09669	0.2
86.79089	0.2
107.77061	0.2
118.96597	0.2
121.06516	0.3
137.02333	0.3
145.06458	0.3
147.04390	0.3
151.03882	0.6
153.01860	1.2
161.05998	0.2
165.01736	0.3
167.03426	0.7
167.07060	0.3
173.05986	0.4
178.02455	0.2
198.06653	0.2
201.05502	0.9
202.05835	0.3
207.02690	0.2
209.04468	1.0
212.04643	0.3
213.05466	0.2
217.04849	0.2
226.06171	0.6
229.04924	1.7
230.05334	0.2
233.04369	0.3
240.03996	0.3
241.05032	0.5
242.05812	0.3
243.06650	0.3
247.06084	0.5
254.05774	0.4
255.06528	0.4
257.04468	4.8
260.03122	0.4
269.04495	0.8
271.06003	0.5
272.06863	0.5
275.05475	1.6
282.05377	0.3
283.05920	0.3
285.03870	3.1
299.05603	0.5
300.06281	17.3
301.03439	0.4
301.06686	1.1
302.04358	0.3
303.04944	2.3
313.03314	1.1
315.05072	1.7
316.02277	0.5
316.05725	0.7
317.06628	1.6
327.05139	1.3
328.05753	6.1
329.06390	2.1
331.04477	12.5
332.05222	1.8
345.06030	4.8
346.06808	9.5
347.07068	0.5
361.09177	100.0
362.09512	5.5
446.70987	0.2
523.13586	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	523.1449
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
69.03198	5.2
75.31609	0.5
85.02918	1.1
91.05475	1.5
98.23338	1.3
103.05461	7.9
107.04935	2.2
117.07053	0.9
121.06516	3.4
122.03651	0.8
129.07022	0.6
131.04005	0.8
131.04932	11.0
133.06419	0.5
135.08034	0.7
137.05980	7.2
138.09157	0.5
151.03929	0.6
151.07506	2.2
153.01831	0.9
161.05956	0.8
162.06587	0.5
163.07542	17.9
164.08093	0.6
167.03386	2.0
173.05963	0.5
175.07550	1.9
177.09096	6.9
179.07025	0.7
181.08678	1.0
189.09041	0.9
201.05444	0.7
203.10710	1.1
205.04976	0.7
219.06451	0.6
219.10217	0.9
221.11725	1.3
229.04980	1.1
247.06039	3.1
257.04529	2.3
260.03159	2.3
275.05521	10.3
276.05780	0.7
285.03915	6.0
288.02686	0.6
300.06259	5.1
302.04276	1.5
303.04971	9.1
311.05438	0.9
313.03415	7.0
314.04166	0.8
316.02173	4.4
317.02414	0.5
317.06448	0.9
318.07782	0.6
328.05698	3.0
329.06531	3.0
330.03653	1.7
331.04489	61.8
332.04852	3.9
345.06091	5.0
346.06821	49.7
347.07217	2.2
361.09171	100.0
362.09583	6.0
523.14447	73.1
524.14868	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	523.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82441	0.5
53.03926	0.9
53.19143	0.5
55.01861	0.6
56.78673	0.6
57.03444	1.4
61.02923	1.4
67.05489	0.6
67.70263	0.5
69.03429	5.4
71.08018	1.0
73.16544	0.5
79.05492	0.6
81.03421	2.1
81.07077	0.6
85.02910	11.0
87.04459	0.8
91.03974	0.6
91.05492	1.2
93.07059	0.7
95.04980	0.7
97.02899	3.8
97.12437	0.5
98.97584	0.9
99.04433	1.1
101.02340	0.5
103.69320	0.5
105.07057	1.0
109.02878	1.3
116.98581	0.8
119.04932	0.9
121.02835	0.5
121.06489	1.5
123.04429	5.4
127.03909	2.3
137.05934	0.7
139.03944	2.0
147.04376	1.0
149.06006	0.7
151.03923	3.6
153.01839	3.4
161.05966	0.8
163.03915	0.9
167.06996	0.9
176.04665	0.9
177.05476	0.8
177.30826	0.5
179.07047	1.0
181.05043	0.8
201.05493	1.0
203.03307	0.5
203.07047	0.5
219.10199	1.6
229.05046	1.3
237.02882	0.6
257.04492	2.7
258.05063	0.6
260.03323	0.9
260.33026	0.5
271.02472	1.0
271.06015	1.4
272.06833	1.0
275.05515	4.0
285.03918	2.1
288.02719	1.1
299.01965	0.9
299.05634	0.6
300.02682	10.9
300.06247	1.8
301.03329	3.1
301.06485	0.6
302.04272	0.9
303.05026	5.2
312.06042	0.7
313.03528	1.3
315.05075	1.3
316.02182	0.9
317.02908	1.4
317.06473	1.1
330.03693	1.6
331.04514	23.5
332.05032	2.0
345.06006	8.1
346.06830	20.3
347.07159	0.6
349.15427	0.7
359.07654	0.9
361.09192	100.0
362.09543	5.9
403.10406	0.9
457.92682	0.6
463.18384	2.2
523.17883	3.2
523.28790	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	523.1452
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.82441	0.5
53.03926	0.9
53.19143	0.5
55.01861	0.6
56.78673	0.6
57.03444	1.4
61.02923	1.4
67.05489	0.6
67.70263	0.5
69.03429	5.4
71.08018	1.0
73.16544	0.5
79.05492	0.6
81.03421	2.1
81.07077	0.6
85.02910	11.0
87.04459	0.8
91.03974	0.6
91.05492	1.2
93.07059	0.7
95.04980	0.7
97.02899	3.8
97.12437	0.5
98.97584	0.9
99.04433	1.1
101.02340	0.5
103.69320	0.5
105.07057	1.0
109.02878	1.3
116.98581	0.8
119.04932	0.9
121.02835	0.5
121.06489	1.5
123.04429	5.4
127.03909	2.3
137.05934	0.7
139.03944	2.0
147.04376	1.0
149.06006	0.7
151.03923	3.6
153.01839	3.4
161.05966	0.8
163.03915	0.9
167.06996	0.9
176.04665	0.9
177.05476	0.8
177.30826	0.5
179.07047	1.0
181.05043	0.8
201.05493	1.0
203.03307	0.5
203.07047	0.5
219.10199	1.6
229.05046	1.3
237.02882	0.6
257.04492	2.7
258.05063	0.6
260.03323	0.9
260.33026	0.5
271.02472	1.0
271.06015	1.4
272.06833	1.0
275.05515	4.0
285.03918	2.1
288.02719	1.1
299.01965	0.9
299.05634	0.6
300.02682	10.9
300.06247	1.8
301.03329	3.1
301.06485	0.6
302.04272	0.9
303.05026	5.2
312.06042	0.7
313.03528	1.3
315.05075	1.3
316.02182	0.9
317.02908	1.4
317.06473	1.1
330.03693	1.6
331.04514	23.5
332.05032	2.0
345.06006	8.1
346.06830	20.3
347.07159	0.6
349.15427	0.7
359.07654	0.9
361.09192	100.0
362.09543	5.9
403.10406	0.9
457.92682	0.6
463.18384	2.2
523.17883	3.2
523.28790	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	523.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42690	0.5
52.13039	0.6
55.01850	0.6
73.36745	0.5
79.05506	0.6
93.07041	1.0
98.22476	1.1
100.11267	0.9
101.82761	0.6
117.11340	0.5
121.06489	0.9
126.89092	0.5
137.06006	0.6
161.03378	0.7
165.08961	0.7
167.07040	0.9
181.58548	0.6
182.15440	0.6
185.04216	0.8
203.05356	0.7
226.99590	0.6
239.83176	0.6
257.15222	1.3
275.16125	3.2
317.17111	0.6
343.22345	1.0
345.24091	1.7
437.21497	7.4
479.22482	25.4
480.22778	1.6
523.21411	100.0
523.28815	25.2
524.21729	7.6
524.29193	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	523.2177
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.16784	1.1
69.94483	4.0
75.47060	1.1
91.05508	2.7
98.22673	1.5
110.72648	1.2
114.21780	1.1
115.05454	1.7
119.04934	1.2
121.06515	1.9
128.06248	1.8
129.06992	7.1
131.08578	7.3
137.05983	2.1
138.73470	1.4
141.06982	6.2
144.05731	1.3
145.06506	3.0
157.06548	5.1
158.07324	4.1
159.08057	5.4
165.09186	1.4
167.07060	2.0
169.06502	3.2
174.06805	16.6
175.07585	3.4
186.06790	2.5
187.07513	1.6
188.08269	1.3
189.09122	27.0
191.10739	1.4
201.09135	8.5
206.15721	1.3
207.10252	1.3
219.10184	100.0
220.10587	3.4
292.43411	1.2
298.06210	1.1
319.04529	2.1
328.05743	1.2
361.09335	8.4
419.28677	1.4
523.14551	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	523.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29329	0.9
56.09770	0.9
57.94580	0.8
66.69536	1.0
69.67264	4.5
70.65112	0.8
76.90372	1.1
85.02894	1.9
91.05495	1.9
98.23214	1.4
103.05501	1.3
115.05461	1.1
121.06538	1.5
124.02753	0.9
129.07013	3.1
131.08598	2.8
137.05972	1.0
141.06998	2.2
145.06445	1.5
149.05869	1.0
153.01866	2.7
157.06493	1.8
158.07285	1.4
159.04312	1.0
159.08076	3.2
167.07043	1.2
167.75667	1.0
169.06451	1.2
174.06783	5.2
175.07489	1.0
177.05550	1.1
181.08638	1.0
189.09076	9.0
197.74170	0.9
201.05479	2.4
201.09117	3.9
203.07097	1.3
219.10175	37.5
221.08066	1.1
229.05080	1.1
240.04538	1.1
257.04388	5.9
269.04453	1.1
275.05481	1.4
285.03995	3.8
300.06296	20.6
301.06659	2.2
303.05054	2.7
313.03378	1.2
315.05072	1.9
316.05850	1.4
317.06589	1.6
326.13776	1.4
327.04968	1.4
328.05847	7.4
329.06522	4.4
331.04446	14.1
332.05124	2.0
342.30887	1.2
343.11697	1.3
345.06021	7.1
346.06821	11.0
361.09183	100.0
362.09570	5.4
491.16379	2.0
523.14075	9.1
523.28479	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	523.2327
Annotation	Benzoylgomisin H
Peak:m/z	Relative Intensity
50.01588	0.8
51.02373	1.2
53.03948	8.9
53.62980	0.7
55.05507	0.8
56.40733	0.7
67.05500	2.7
69.66406	1.8
69.66805	1.8
77.03922	1.1
79.05489	1.4
81.03437	1.0
81.07069	1.1
91.05489	1.4
95.04982	11.3
95.08632	1.2
105.03394	100.0
105.04545	5.0
106.03761	1.7
115.96629	0.8
127.50594	0.7
267.06442	0.9
269.69855	0.9
295.13379	1.4
306.12543	1.0
307.09650	1.0
309.14984	1.2
312.10114	1.0
313.10785	1.4
314.11465	1.0
317.10196	1.9
318.10953	2.2
323.12839	2.2
326.15298	1.0
327.12335	1.6
332.12573	1.9
337.14359	4.0
338.15155	2.0
339.15991	1.6
341.17365	1.3
345.13181	1.5
355.15500	2.2
359.14935	1.8
369.16998	4.5
370.17715	5.1
389.10309	1.1
401.19669	4.5
403.11743	0.8
421.12878	0.9
425.27951	0.9
435.14285	1.1
449.15805	1.2
473.19455	1.9
474.20459	2.7
505.22180	13.4
506.22443	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	523.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18128	1.4
67.05499	1.7
71.29829	1.3
79.05492	2.9
81.03442	1.6
81.07063	2.0
91.63147	1.5
95.04957	2.1
113.42780	1.6
154.10341	1.8
184.24884	1.5
185.04175	2.3
219.08638	1.8
220.80516	1.5
226.55286	1.4
248.42223	1.4
249.66304	1.5
361.23486	100.0
362.23947	7.5
523.28741	95.6
524.28961	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	523.288
Annotation	yanuthone G
Peak:m/z	Relative Intensity
55.75106	0.5
63.29810	0.4
71.29959	0.5
84.99509	0.5
86.46964	0.4
100.06568	0.5
103.78378	0.5
185.04208	1.0
313.21371	0.7
343.22427	6.5
361.23483	54.0
362.23776	3.6
391.42831	0.5
457.63242	0.5
523.28802	100.0
524.29138	7.5
547.50964	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	523.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74466	30.2
53.69711	29.5
55.60603	26.3
57.07084	75.0
64.68701	31.6
66.68608	31.4
67.05508	82.8
69.07048	39.4
71.08631	72.2
71.45924	30.1
72.88070	28.6
79.05483	56.9
81.03425	45.1
81.07068	67.3
83.08643	45.7
91.05512	31.1
93.07027	43.1
95.08611	37.1
96.39143	27.6
102.89938	30.0
121.76586	33.5
122.31481	28.6
153.50905	29.8
193.12390	52.7
195.85919	30.0
211.13318	48.5
280.73251	32.7
505.38779	35.5
523.33655	62.4
523.40131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05651	13.4
68.51106	1.0
69.37668	6.7
70.06595	22.3
71.84798	1.3
72.08160	1.8
74.73209	1.2
85.93619	1.0
112.08700	2.1
116.07096	13.0
121.06587	1.1
130.09769	4.3
158.09245	2.9
175.11916	100.0
176.12311	1.2
185.94231	1.3
242.18274	1.1
485.05984	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	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.4
56.64516	3.2
67.05500	9.2
69.07085	4.4
71.08358	4.4
79.05495	6.5
81.03441	3.4
81.07055	16.0
82.27959	3.2
82.35948	2.9
87.40523	2.9
87.84448	2.9
91.05486	5.8
93.07060	12.0
95.08624	12.9
97.02910	4.2
97.06586	3.6
105.07025	6.2
107.08595	7.3
109.10172	8.1
121.06498	3.0
121.10173	7.7
123.11707	5.0
135.11736	4.7
137.05876	2.9
137.97665	3.5
149.13240	5.8
156.14262	3.0
157.56168	3.4
163.03960	5.4
176.51811	3.2
184.34380	3.0
203.10689	3.6
257.15131	3.9
275.16312	3.4
289.25281	5.8
343.22385	6.0
345.24130	6.4
386.64902	3.5
437.21677	4.8
479.22784	23.7
501.68631	3.8
523.21204	42.2
523.28723	100.0
524.21753	6.0
524.29272	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
53.17822	3.9
55.05516	28.8
57.03436	24.0
57.07082	86.8
66.35590	3.1
67.05510	64.6
67.05848	6.8
69.00079	8.7
69.00484	20.0
69.03434	6.5
69.07076	23.1
71.04996	9.0
71.08639	61.0
79.05495	37.0
81.03423	100.0
81.07057	66.3
83.04982	15.0
83.08626	54.9
85.02907	12.0
85.10191	42.7
89.06016	3.6
91.05485	46.3
93.07037	26.2
95.04970	34.2
95.08611	71.4
97.02864	4.4
97.06544	4.9
97.10172	18.2
105.07043	32.1
107.04971	8.5
107.08608	12.1
109.06546	5.0
109.10164	31.8
111.08127	13.3
119.08578	25.6
121.10182	11.5
123.11723	14.6
125.09665	4.2
129.07036	15.1
131.08601	15.6
133.06499	5.7
133.10164	15.6
137.09706	4.5
137.13237	4.4
137.68916	5.0
142.07866	4.3
147.11757	18.7
149.09613	4.8
157.10138	15.0
165.12811	5.1
175.11172	17.2
184.07190	4.8
193.12263	66.7
211.13245	29.3
239.23799	9.6
245.01297	3.3
267.15906	62.8
313.27332	56.3
332.13434	4.0
505.38803	30.0
523.39941	78.2
524.40112	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
53.88564	2.7
55.01872	6.6
55.05521	19.3
57.03438	16.7
57.07077	65.8
67.05177	4.0
67.05506	46.0
69.07083	18.2
69.39977	16.8
71.04985	4.3
71.08631	39.0
75.30736	2.8
79.05496	23.6
81.03418	100.0
81.07058	55.2
82.52193	2.5
83.04996	6.7
83.08623	42.5
85.02898	9.5
85.10172	24.4
91.05483	38.7
92.05814	2.7
93.07059	16.9
95.04958	27.2
95.08609	45.1
97.06483	3.6
97.10168	8.7
105.07020	19.2
107.04928	3.7
107.08585	7.0
109.06495	7.4
109.10156	22.5
111.04424	3.2
111.08064	7.6
111.11729	4.1
119.08595	15.6
121.10116	9.7
123.08070	3.0
123.11700	6.6
129.07018	10.9
131.08572	12.9
133.06433	3.1
133.10170	8.4
135.08083	3.5
135.11690	4.3
137.13287	3.9
142.07727	3.5
147.08023	6.4
147.11674	14.0
149.09627	7.4
157.10153	8.9
165.12750	3.5
175.11154	15.8
193.12239	71.9
194.12563	3.5
211.13243	25.8
217.43370	2.9
221.22623	3.4
239.23730	10.9
249.14851	3.9
249.45010	2.8
267.15897	78.8
313.27350	84.6
314.27374	4.2
460.30902	3.4
476.33063	3.4
505.38889	36.8
523.39795	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13054	6.5
55.05527	13.3
55.58879	6.9
57.03442	13.5
57.07070	41.3
67.05517	31.0
69.07066	11.6
71.08643	22.6
71.28526	7.7
75.58006	6.6
79.05506	17.4
81.03429	87.9
81.07059	30.5
83.04984	6.7
83.08630	25.2
85.10185	13.9
91.05486	24.8
93.07052	16.0
95.04984	20.8
95.08631	25.3
97.10180	8.2
100.59544	8.1
105.07069	21.7
106.41746	6.2
109.10168	14.1
111.08080	8.9
118.58917	8.3
119.08604	13.4
127.30704	8.4
131.08531	11.6
133.10178	8.2
147.11696	9.4
157.10159	10.9
175.11153	10.9
193.12183	50.9
208.27637	7.1
215.64926	7.1
239.23793	8.5
267.15909	100.0
271.41016	7.5
298.29572	6.5
313.27280	77.7
505.38962	41.5
523.40057	16.5
534.54242	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48183	1.7
53.03935	3.9
55.01870	2.7
55.05511	14.9
57.03438	22.0
57.06797	2.8
57.07076	52.1
65.03931	2.4
67.05506	27.7
69.03420	2.4
69.07067	12.1
69.56479	1.4
69.93246	1.5
69.93575	3.5
71.04977	2.6
71.08633	31.3
79.05492	16.7
81.03416	100.0
81.07057	34.8
82.07396	1.8
83.04980	6.6
83.08622	28.7
85.02898	5.0
85.06567	2.5
85.10190	17.2
89.06027	2.5
91.05476	23.4
93.07043	9.8
95.04971	23.6
95.08610	32.1
96.08974	1.4
97.02915	2.8
97.06513	1.8
97.10165	7.7
103.07585	1.6
105.07023	15.3
107.04964	5.1
107.08593	4.7
109.06503	3.7
109.10161	12.1
111.08073	9.0
111.11749	1.4
113.06018	1.9
115.05489	2.2
117.07011	1.7
119.08581	13.0
121.06511	1.9
121.10144	6.1
123.08089	1.8
123.11679	3.3
129.06987	11.0
131.08580	8.3
133.06474	3.4
133.10146	5.4
137.09695	1.8
137.13239	2.3
141.01286	1.5
142.07773	3.9
147.08086	2.0
147.11678	8.4
149.09586	4.1
150.87738	1.4
157.10112	11.7
165.12762	2.6
175.11201	12.6
193.12242	53.2
194.12532	2.2
209.50381	1.5
211.13329	12.9
239.23640	8.7
249.14848	5.0
257.24734	1.8
267.15906	94.4
268.16245	2.8
290.58997	1.5
313.27353	94.6
314.27747	5.8
381.77930	1.4
403.68018	1.4
505.38898	42.2
506.38901	4.0
523.39899	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05510	13.4
57.03440	17.8
57.07077	47.0
65.03957	2.0
65.18967	1.4
67.05172	2.6
67.05505	25.1
69.03427	3.0
69.07072	9.9
69.87034	6.3
71.04996	2.1
71.08633	30.3
79.05489	18.9
81.03419	100.0
81.07059	29.3
83.04986	5.4
83.08632	21.1
85.02918	3.0
85.10191	14.2
89.06059	2.3
91.05479	20.6
93.07043	9.6
95.04970	24.7
95.08607	27.1
97.02882	2.0
97.06560	1.6
97.10176	6.1
105.07030	12.7
107.04971	4.8
107.08584	4.9
109.06490	3.1
109.10169	13.2
111.08077	6.2
111.11752	2.0
115.05480	2.1
117.07014	3.2
119.08598	15.4
121.06503	2.6
121.10143	5.8
123.11723	3.9
129.07005	7.5
131.08568	8.3
133.06499	3.8
133.10123	5.3
142.07762	3.4
147.08014	3.0
147.11713	7.9
149.09641	3.6
157.10118	7.7
165.12784	3.7
175.11166	8.5
193.12250	31.8
197.72649	1.5
211.13245	8.1
237.20731	1.6
239.23665	4.3
249.14961	3.6
257.24734	1.6
267.15921	72.4
267.18832	3.4
268.16196	3.8
283.85364	1.7
313.27377	74.6
314.27765	2.4
420.05939	1.8
453.74036	1.7
505.38876	36.0
506.39227	3.3
523.40021	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.05518	26.8
57.03436	24.6
57.06833	5.0
57.07080	54.1
67.05513	41.6
69.07075	24.9
70.79799	7.7
71.08638	38.3
74.41734	3.8
79.05492	22.8
81.03422	100.0
81.07056	54.7
83.04998	8.5
83.08627	42.1
85.02892	11.1
85.10182	22.1
89.06039	5.3
91.05474	27.2
93.07059	18.8
95.04976	35.5
95.08618	40.5
97.06510	4.7
97.10153	13.6
105.07047	23.9
107.04961	9.1
107.08600	9.4
109.06521	7.3
109.10178	20.8
111.08102	12.2
119.08585	23.2
119.75192	3.9
121.10152	7.3
123.11723	9.8
129.07010	11.7
131.08568	15.0
133.10193	9.0
135.11674	4.4
137.13148	4.9
147.11667	13.9
157.10086	11.4
175.11209	15.4
187.40524	3.9
193.12262	72.5
211.13293	15.2
212.66168	4.3
227.99149	3.8
239.23691	11.2
267.15912	70.2
313.27322	82.1
479.37207	5.1
505.38812	40.0
523.40021	54.0
524.39569	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01876	2.2
55.05516	20.8
57.03446	7.9
57.07076	42.1
60.08161	3.2
65.03934	2.3
67.05507	37.7
67.05840	3.0
69.03411	3.4
69.07075	16.0
71.04995	5.0
71.08633	32.5
71.09011	2.4
71.28082	1.6
78.04659	1.5
79.05495	21.5
81.03422	52.3
81.07059	41.9
82.75189	1.6
83.04975	9.0
83.08624	35.7
85.02912	23.2
85.06554	2.3
85.10184	19.4
86.09721	9.0
89.22210	1.4
91.05483	26.6
91.06007	2.3
93.07047	15.8
95.04979	17.2
95.05578	2.0
95.08611	35.0
95.09171	2.7
97.02872	2.4
97.06551	3.3
97.10178	12.8
101.45642	1.5
104.10752	20.5
105.07037	20.8
107.04994	5.6
107.08614	7.7
109.06541	4.3
109.10156	21.5
111.04496	2.3
111.08099	10.4
111.11732	2.7
113.06027	2.0
117.06969	1.7
119.08614	12.4
121.06516	1.5
121.10141	8.1
123.08043	1.7
123.11755	6.3
125.00044	5.3
125.09673	2.9
125.13314	1.8
129.07022	8.7
131.08582	9.4
133.10103	7.3
137.09857	1.6
137.13286	3.0
142.07774	2.4
144.69925	1.4
147.08018	2.5
147.11684	11.1
149.09622	4.2
157.10153	9.7
165.12852	2.5
175.11163	12.5
179.14479	1.5
183.13881	1.5
184.07359	19.0
193.12245	61.5
194.12625	1.9
211.13280	55.4
227.12949	1.5
229.14441	2.2
239.23781	10.0
267.16110	6.3
313.27335	9.7
505.38858	4.5
506.36148	1.7
523.40082	100.0
524.40808	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	30.6
57.03431	20.0
57.03892	6.1
57.07080	60.6
67.05501	59.1
69.03395	6.9
69.07064	24.5
69.78300	6.0
71.08640	39.7
71.27944	8.7
78.44168	5.7
79.05508	28.5
81.03416	100.0
81.07063	58.8
83.04984	14.8
83.08617	39.0
85.02909	12.4
85.06566	6.1
85.10179	24.1
86.09715	13.2
91.05495	34.4
93.07055	19.5
95.04965	34.2
95.08604	46.4
97.10155	10.4
104.10726	15.8
105.07033	27.7
107.08616	8.5
109.10156	33.4
111.08088	7.5
119.08596	20.9
121.06485	7.6
121.10165	14.8
129.06963	8.4
131.08571	17.7
133.10132	11.0
147.11670	12.1
149.09624	12.5
157.10175	12.3
175.11130	9.3
184.07347	23.5
193.12242	59.6
211.13280	17.3
229.14302	12.7
239.23676	7.5
267.15948	73.2
313.27289	70.3
505.38980	34.1
523.40552	32.6
524.37384	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.05507	25.9
55.92073	4.7
57.03444	19.6
57.07084	66.3
67.05503	44.1
69.07073	28.9
71.04986	6.5
71.08630	37.8
71.27431	8.1
79.05508	20.7
81.03417	94.8
81.07050	45.8
83.05006	11.9
83.08633	40.0
85.02916	8.3
85.10201	17.8
91.05489	27.0
93.07041	24.5
95.04969	32.9
95.08614	48.7
97.10201	9.4
103.49169	4.6
105.07034	15.5
105.50503	4.4
107.04972	10.4
107.08602	17.4
109.06541	7.2
109.10173	19.4
111.04454	4.6
111.08093	10.7
111.11737	5.3
117.02676	4.8
119.08620	21.2
121.06539	7.4
121.10152	10.5
123.11780	6.0
129.06995	12.5
131.08594	12.7
138.55901	4.5
142.07703	5.0
149.09718	5.1
151.11311	4.5
157.10129	12.5
175.11195	10.5
193.12259	100.0
193.13994	5.7
211.13361	9.3
239.23544	7.8
267.15930	88.9
275.25818	5.1
313.27377	91.3
314.27750	6.9
338.21786	4.9
357.58105	5.4
358.25693	5.2
456.91895	5.4
505.38882	47.9
523.40155	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05523	13.1
57.03443	8.8
57.07080	10.6
60.04524	1.4
66.75802	0.9
67.05512	12.7
69.07077	22.4
71.04983	1.5
71.08645	7.8
71.27984	1.9
74.13692	1.0
76.02756	1.0
79.05503	9.4
81.07071	13.9
83.08626	14.3
85.10210	2.4
86.09721	1.8
87.04468	2.0
88.03979	6.6
88.18756	1.0
89.06038	5.8
91.05488	3.4
93.07040	8.6
95.08611	15.0
97.06554	2.6
97.10169	9.1
98.98459	5.9
104.10765	3.5
105.07024	1.9
106.05055	1.6
107.08607	5.0
109.10198	6.1
111.11722	1.5
114.80724	1.1
119.08630	1.6
121.06525	2.5
121.10182	6.2
123.11787	1.4
125.00056	1.2
133.08630	3.9
135.11671	5.6
149.13283	2.6
155.01027	1.7
162.84729	1.1
163.14984	1.7
165.09149	1.4
173.02168	1.8
177.11250	1.3
184.07376	3.2
186.07608	1.5
196.09978	1.3
265.25302	3.3
317.19223	1.1
339.28961	100.0
340.29236	6.6
347.98541	1.2
352.28589	2.1
524.34875	1.4
525.35077	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	524.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
59.78801	0.2
60.60090	0.3
61.95234	0.3
64.98633	0.2
65.03931	0.3
67.05502	3.1
67.99384	0.2
69.03408	0.6
69.07085	0.4
77.03888	0.3
79.05473	0.3
81.07055	2.0
83.05002	0.4
85.06541	0.3
91.05476	1.1
93.07014	0.5
95.04987	0.3
95.08611	2.0
97.02874	0.4
102.60673	0.3
103.05482	0.7
105.07044	0.3
107.04956	0.7
107.08585	0.5
108.18583	0.3
109.06499	0.4
109.10165	3.9
111.08141	0.3
115.85926	0.3
119.08588	2.7
120.73347	0.3
121.06534	1.8
122.07339	1.7
123.04401	0.4
123.08080	0.6
123.11722	0.7
129.09172	0.3
131.04927	0.4
137.06013	0.9
137.09618	11.3
138.09966	0.3
141.09109	0.8
145.02846	0.4
149.05983	0.3
151.03917	1.4
151.07538	0.7
157.04964	0.3
157.08664	0.8
165.09116	100.0
166.09438	2.9
167.07065	1.5
177.05351	0.5
181.04976	0.6
187.09630	0.9
193.08627	0.3
205.12141	0.4
273.22162	0.3
291.23245	0.6
319.22775	0.4
337.23724	3.6
338.91373	0.3
362.09473	0.5
425.30658	0.6
443.31412	1.4
445.02206	0.3
450.41989	0.3
461.76520	0.3
463.09360	0.3
471.31070	0.4
489.32120	1.2
490.31738	0.4
521.45270	0.3
524.28943	0.9
525.11859	0.4
525.30133	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	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05512	0.7
56.05036	1.3
57.03437	0.6
57.07081	3.4
58.06613	1.5
59.07383	0.3
60.08167	16.8
63.24045	0.3
67.05521	1.6
67.44285	0.3
69.07062	1.0
71.07382	6.7
71.08626	2.0
79.05499	0.6
81.03427	0.8
81.07058	1.5
83.08619	0.9
85.10184	0.9
86.09709	49.7
87.10065	0.4
93.07039	0.4
95.08616	1.6
97.10152	0.5
98.22533	0.5
98.98466	3.9
104.10748	98.7
105.11063	1.0
109.10168	0.9
110.19605	0.3
111.11711	0.5
125.00007	28.4
163.01544	0.9
184.07349	100.0
185.07698	1.5
211.13292	0.5
233.39723	0.3
238.38446	0.3
242.24588	0.4
258.11047	1.0
341.30487	1.9
433.99918	0.4
435.70059	0.4
447.28888	0.6
506.36087	9.1
507.36627	0.6
524.37067	29.1
525.37213	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	524.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77023	0.5
55.05519	0.9
56.05028	1.3
57.03439	1.0
57.07080	3.2
58.06593	1.4
59.47221	0.5
60.08170	17.1
67.05515	2.4
69.07068	0.7
70.66457	0.5
71.07381	6.5
71.08630	2.3
71.28053	0.6
79.05483	0.8
79.49442	0.5
81.07072	2.1
83.08633	0.7
85.10188	0.7
86.09710	47.0
91.05470	0.7
93.07027	0.5
95.08604	1.7
97.10202	0.7
98.98478	3.5
104.10751	100.0
105.11087	1.2
109.10148	1.4
125.00010	29.6
126.72963	0.5
163.01604	0.7
184.07356	94.2
185.07668	1.0
222.69516	0.6
229.14401	1.0
258.11017	1.0
341.30585	1.2
390.91037	0.6
399.56638	0.5
447.28787	1.0
506.36087	7.9
524.37140	26.4
525.37048	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	524.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.5
67.05511	100.0
69.03968	95.5
69.07083	16.5
69.67591	8.3
71.08636	15.4
79.05497	24.3
81.03400	10.9
81.07044	64.4
83.08622	19.3
91.05490	15.9
93.07060	30.2
95.08619	29.2
107.08598	11.2
108.95721	10.5
109.10143	78.7
121.10116	20.5
126.37362	10.8
135.26602	12.1
136.99004	10.6
140.04759	10.0
173.11829	19.0
229.14331	69.1
335.25711	68.9
373.75858	10.3
402.69016	10.4
489.35770	19.3
524.40155	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.9632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28205	0.6
57.10054	0.6
60.36118	0.6
60.38597	0.5
69.63832	0.5
70.02091	0.5
71.68329	0.5
86.74896	0.6
95.34116	0.5
98.23387	1.0
104.99275	100.0
126.79595	0.6
126.82727	0.6
134.24834	0.5
143.56354	0.6
148.80074	0.5
186.99554	43.2
206.79536	0.6
246.35150	0.6
268.99835	11.1
269.02460	1.0
278.95374	25.1
360.83978	1.0
360.95819	5.1
409.16324	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	525.1394
Annotation	Mayoside B
Peak:m/z	Relative Intensity
67.05499	1.1
71.30190	2.1
79.05504	1.9
87.35580	1.2
91.05466	2.5
95.04973	1.5
100.76437	1.1
103.05495	4.4
104.06284	1.2
105.07076	3.0
107.04971	2.5
108.73132	1.0
118.04190	2.1
121.06533	1.2
130.04149	2.0
131.04918	13.3
132.05714	10.5
133.06490	1.3
135.04471	1.5
137.05893	1.4
140.04700	3.1
146.03662	2.0
147.04478	1.1
149.06017	2.0
153.01842	2.6
154.06302	1.8
160.05228	4.8
161.06013	5.5
163.30505	1.2
166.06238	1.6
167.07065	6.8
176.04712	3.2
177.05510	5.5
178.06261	2.9
180.07863	2.1
191.07098	4.7
192.07857	11.1
213.05614	1.6
216.04247	2.6
217.05067	2.4
228.04268	1.6
229.05011	2.4
231.06737	1.3
241.04942	3.6
243.06721	1.2
244.03693	3.1
245.04543	3.4
257.04489	4.1
259.06088	4.5
269.04456	1.8
271.06192	2.0
278.46695	1.1
285.04062	3.2
286.04709	1.4
287.05505	20.6
288.05835	1.4
301.03464	7.5
302.04102	5.4
313.03290	5.9
315.05112	10.7
316.05899	3.9
317.06537	2.2
327.05081	3.7
343.04669	4.0
353.06635	3.2
371.07657	2.5
377.31882	1.2
475.10303	4.8
495.12943	1.8
507.12921	13.2
513.74139	1.6
525.13983	100.0
526.14264	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	525.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81547	0.6
53.03935	1.1
55.01875	0.8
55.05508	1.0
57.03431	0.7
57.07081	1.1
59.06681	0.6
67.05502	4.5
68.99783	1.3
69.03434	3.8
69.77603	1.3
69.77985	1.2
75.56277	0.6
79.01854	3.9
79.05474	2.0
81.03410	9.7
81.07063	3.7
83.08612	1.3
83.11034	0.7
83.37481	0.8
85.02897	2.7
85.06531	2.1
91.05494	1.8
93.07043	1.6
95.04975	1.5
95.08609	1.9
97.02874	6.5
98.97581	1.4
99.04445	0.7
100.11279	1.6
105.07025	2.0
107.01324	1.7
107.08591	1.4
109.02873	4.9
109.06497	3.2
109.10126	0.9
111.00802	1.2
111.04431	0.8
117.06927	0.7
119.08549	1.7
123.04427	8.6
123.08062	2.7
123.82994	0.7
125.02344	4.7
127.03934	7.5
127.07592	0.8
129.07065	0.7
131.08511	0.7
133.06471	0.8
133.10117	0.8
137.05942	1.8
137.09581	0.7
139.03903	3.8
143.03403	5.6
145.04958	1.5
147.04454	0.8
147.08031	1.1
147.11696	0.8
149.09615	0.8
151.03896	1.9
151.07555	1.8
153.01828	100.0
153.02911	5.9
154.02141	1.3
155.03354	1.5
165.05467	0.7
165.09113	6.9
171.02881	9.2
175.07497	1.1
177.00677	0.8
189.09055	0.7
193.08601	17.6
211.09647	25.3
212.09970	1.1
217.05148	1.0
235.09668	2.2
237.02783	0.8
253.10658	2.5
265.08667	0.8
273.07672	0.8
277.10748	0.8
277.17801	1.1
289.05295	0.9
297.06064	7.5
301.10770	1.3
315.07132	3.6
319.11761	1.1
439.23096	0.8
457.20953	0.9
481.23950	3.4
525.23187	15.9
525.30481	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	525.2312
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
54.92426	0.8
65.03940	0.7
67.05523	1.2
69.40193	3.9
71.05009	1.0
77.45900	0.7
79.05505	1.6
81.07081	1.0
88.04644	0.7
89.03929	1.4
91.05499	2.2
91.76416	0.7
93.07063	1.7
94.90276	0.8
95.08665	1.1
95.62068	0.6
95.84966	0.7
96.29487	0.8
105.07085	2.1
107.04964	2.0
109.10201	0.8
117.03413	1.3
118.42451	0.7
121.06579	1.7
121.10181	2.5
123.04468	1.6
123.08154	0.8
131.04982	1.5
133.06606	0.8
135.04433	3.9
136.04877	0.9
137.06032	2.9
139.03958	1.3
145.02849	1.7
147.04427	1.2
149.06029	0.9
149.09775	0.9
149.13374	0.8
151.03961	1.6
160.05147	0.7
161.05908	1.7
162.06381	1.1
163.03932	11.4
163.07558	1.9
164.04250	4.2
165.07976	0.7
165.09079	3.9
166.09567	0.9
167.07025	3.7
168.07465	1.0
169.04767	1.9
177.05557	0.9
177.08920	0.8
178.05864	1.0
180.07881	1.5
181.04948	0.8
185.04199	1.0
191.07056	1.3
192.07802	4.9
193.08476	2.4
203.05505	1.2
215.07117	1.1
215.52625	0.7
245.06360	3.6
259.16782	3.8
277.17770	6.0
289.05450	3.0
345.13556	1.1
346.13864	1.8
353.10538	1.0
354.10736	1.4
362.16232	0.9
363.16302	1.6
369.18985	1.9
372.11761	0.9
411.19812	1.6
421.22208	2.4
439.23059	7.9
463.23169	2.4
481.24112	25.4
482.24298	1.6
507.22021	5.5
525.23285	100.0
525.30194	8.6
526.23553	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	525.306
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
51.02400	0.6
53.03937	1.5
55.01863	1.5
55.05505	2.5
65.03934	0.8
66.60797	0.6
67.05503	10.3
68.99792	9.6
69.03429	1.7
69.07054	3.3
69.75360	2.8
71.01354	1.5
71.04987	0.9
77.03922	0.8
78.66478	0.5
79.05490	8.6
80.05842	0.9
80.13590	0.6
81.03418	100.0
81.07062	7.5
82.03750	1.5
83.05004	1.1
83.08619	2.8
87.00842	0.6
91.05487	8.0
93.07042	11.7
94.07367	1.0
94.26464	0.6
95.01340	1.1
95.04968	12.9
95.08609	10.6
95.09173	1.1
97.02914	1.6
97.06552	2.9
97.10199	1.0
98.23305	1.3
103.05444	0.9
105.07039	6.4
107.04953	3.8
107.08596	5.1
109.06535	1.9
109.10175	2.4
111.00809	28.0
111.04464	1.9
111.08106	1.4
113.02390	1.1
113.06001	1.0
117.06969	3.3
119.01093	1.1
119.04985	1.4
119.08579	4.2
120.08884	0.9
121.02878	2.3
121.06522	6.5
121.10150	5.6
122.06887	0.8
123.04434	6.0
123.07965	1.2
127.03916	11.6
127.04796	1.0
129.06981	0.9
131.04912	0.7
131.08557	4.3
133.06479	1.5
133.10144	4.2
134.31181	0.6
135.08011	3.0
135.11667	3.1
137.05994	1.8
137.09637	2.3
139.03896	3.8
139.07518	1.3
143.08551	1.8
145.06474	1.1
145.10123	1.9
146.10648	0.6
147.04433	1.1
147.08093	1.4
147.11652	3.0
149.09650	1.8
151.03914	1.9
153.01866	0.8
153.05412	0.8
155.03391	11.4
157.10146	1.5
158.10478	0.8
159.08081	1.5
159.11673	1.3
161.06012	2.0
161.09685	1.1
161.13268	0.8
163.03934	7.1
163.07562	4.9
163.11131	0.6
165.05440	3.2
169.10114	1.1
171.11688	2.4
175.11172	0.6
177.09065	1.1
179.03252	1.3
179.07054	2.6
181.04956	2.1
181.08606	1.4
183.06544	1.3
183.07976	0.7
184.07469	1.0
185.13290	0.9
189.05507	1.5
189.12796	0.8
191.07062	0.8
199.05963	1.5
199.11165	0.7
203.18138	0.9
205.08604	17.2
205.21333	0.7
207.06514	12.8
207.08276	1.1
213.16389	1.1
217.12225	1.9
218.12685	0.6
223.09633	15.8
224.09964	1.1
231.17473	0.7
235.13293	1.2
236.13684	2.1
237.69659	0.6
239.05373	1.1
249.18492	5.8
291.23190	1.1
308.02872	1.1
309.03839	1.4
317.24799	0.8
319.22699	1.5
363.25308	0.6
417.24081	0.7
429.25839	0.7
435.25269	5.7
453.26358	20.0
453.32599	1.3
454.26645	1.4
471.27432	28.4
472.27792	2.4
489.28488	19.9
490.29025	1.8
507.29849	2.7
508.29761	0.7
525.10034	15.8
525.22430	1.7
525.29761	2.2
526.10321	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	526.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
56.05032	1.7
58.70178	0.9
65.99643	0.9
67.05506	4.0
68.99791	1.2
70.06581	2.9
71.10143	1.0
72.08141	1.1
79.01862	0.9
81.07067	2.0
83.01344	3.1
84.08146	6.7
91.05477	4.8
93.07048	1.3
95.04967	2.1
95.08617	3.1
103.05457	1.2
105.07012	1.5
107.04967	1.7
109.02879	1.9
109.06544	2.2
110.07137	0.9
117.06998	1.6
121.06522	1.7
123.04429	63.6
124.04747	1.5
128.06235	2.3
129.07002	3.2
131.08588	3.8
133.06482	1.0
135.04433	3.8
135.08072	1.8
137.02364	3.2
137.05965	1.4
139.03900	2.3
141.07063	1.4
143.03325	1.2
143.08603	1.1
147.04404	11.0
147.08041	2.1
149.09595	5.0
150.09143	83.7
151.03912	14.5
151.09499	2.3
153.01836	11.4
153.02937	1.6
159.08075	2.4
161.06013	2.3
163.03899	28.6
165.05496	1.3
171.08052	2.4
173.05989	1.1
175.04031	1.1
175.07555	26.5
176.07028	2.0
176.10646	1.2
177.05496	1.8
177.09114	23.6
178.09525	1.1
179.07007	5.4
186.09135	1.6
187.07584	4.5
189.05467	2.7
189.09143	3.0
193.08574	2.1
199.07539	13.5
201.09105	3.6
202.08658	5.3
204.10202	31.3
205.08757	5.0
210.11263	1.3
216.10228	2.9
217.08635	13.4
222.11250	100.0
223.11606	3.6
228.10236	2.5
229.08600	1.7
234.11270	23.8
238.68130	1.0
246.11449	0.9
283.06036	1.7
285.07501	9.8
293.11551	1.2
321.11346	4.3
338.13892	1.8
339.12244	9.7
340.12439	1.1
356.14902	50.7
357.15317	3.5
369.49271	0.9
374.16043	2.7
526.17065	46.7
527.17407	3.7
535.04907	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	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
54.20916	3.8
57.03453	6.1
61.02950	4.3
67.05505	7.6
69.03432	6.0
69.07048	3.7
70.06616	4.5
71.50539	4.0
75.04475	12.9
79.05493	12.1
81.03406	3.9
81.07065	16.9
82.69489	3.6
84.01417	4.1
85.02900	40.2
88.86979	4.0
91.05483	12.7
93.07046	100.0
95.05003	4.1
95.08605	9.0
97.02903	12.9
98.23385	10.2
99.04491	4.1
105.07030	9.3
107.08602	8.0
109.10152	38.1
110.07166	20.0
111.08096	16.9
119.08582	4.8
121.06583	4.8
121.10150	91.4
123.04403	8.5
123.11658	7.2
127.03919	11.5
131.08594	6.2
134.03430	4.4
137.09622	45.5
137.39566	3.7
139.11194	16.6
145.04942	13.0
149.09596	18.5
150.09158	9.4
155.10674	64.2
156.07762	4.7
161.83858	3.8
163.06041	8.3
165.24210	4.0
167.10677	70.9
175.07520	4.1
187.63844	4.0
204.10280	4.2
216.61838	4.1
222.11310	9.3
305.48758	4.1
310.26559	4.2
311.14923	6.1
356.14990	8.2
364.18738	7.5
399.71564	4.3
417.55429	4.4
539.44696	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	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74712	1.2
53.03942	1.6
55.01884	1.3
56.96572	1.5
65.33685	1.4
67.05500	2.5
69.03432	4.9
69.07092	1.4
70.06601	2.5
71.05019	2.3
72.08167	2.0
79.05503	3.8
81.03417	6.3
81.07052	4.1
83.08639	1.3
85.02901	13.8
86.09715	3.3
91.05491	6.6
93.07057	3.3
94.04181	2.3
95.04995	4.1
95.08623	1.8
97.02901	5.0
99.53643	1.4
103.05470	13.3
105.07031	7.3
107.04977	6.4
107.08613	3.2
107.09713	1.4
109.02868	2.1
109.06525	3.5
114.07321	1.4
117.07024	3.9
119.08611	1.9
120.08117	4.5
121.06528	3.6
122.03645	4.0
123.04453	4.1
125.05994	1.9
127.03906	3.6
129.06993	2.1
130.07808	1.5
131.04926	20.7
131.08578	3.5
133.06497	1.6
133.10126	2.7
137.05981	100.0
137.09572	1.9
138.06319	1.9
139.03952	2.6
139.07552	4.5
144.05707	2.3
145.04898	1.7
145.06512	9.5
145.10143	14.5
147.04312	1.5
151.07585	2.7
158.07222	3.2
159.08057	4.5
161.06013	1.5
161.09601	4.1
163.07547	39.3
163.08891	1.9
163.11226	1.9
165.09111	17.9
171.08064	2.3
173.09625	23.1
181.06566	1.5
189.09178	2.9
191.10732	4.7
200.51500	1.3
201.09154	2.1
203.10710	4.1
205.12244	55.0
206.12726	1.9
241.08612	2.0
265.12265	2.8
276.90491	1.4
289.05295	2.5
297.14789	8.4
329.17468	74.2
330.17786	2.5
441.24506	1.9
455.28156	2.2
465.24359	1.6
482.24408	6.4
483.25424	5.6
509.23096	3.2
526.13635	1.4
526.15216	1.8
526.23407	19.2
526.30353	2.6
527.08252	11.0
527.24536	28.2
530.29425	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	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28514	1.1
54.43587	1.0
57.03431	1.6
61.87211	1.1
67.05504	1.4
69.03419	3.1
69.07075	1.4
69.07424	9.0
70.06608	1.6
71.04990	1.4
75.04482	2.4
79.05481	6.9
81.03411	3.5
81.07056	4.1
85.02879	1.7
91.05463	6.5
93.07043	34.7
95.04974	2.2
95.08592	1.8
97.02875	1.7
97.06474	1.2
103.05464	15.9
105.07024	4.2
107.08598	6.9
109.02885	1.8
111.08117	2.6
117.07051	1.1
119.08525	2.4
121.06530	1.3
121.10136	30.3
123.04382	1.2
127.03946	2.2
131.04930	42.7
131.08641	1.2
133.10159	1.3
137.05951	1.8
145.64659	1.0
149.09605	4.3
163.07547	18.0
167.10689	8.7
203.05284	2.8
227.05301	1.3
240.96405	1.1
245.06363	7.1
261.18268	2.0
277.17508	1.3
278.18121	2.4
279.19351	6.3
279.21964	1.1
289.05280	7.9
293.13928	2.1
311.14996	3.3
340.07666	1.0
412.20358	2.1
422.22028	1.3
423.23544	2.1
440.23370	1.8
441.24426	5.6
464.23340	2.5
465.24597	7.2
482.24445	14.2
483.25641	21.4
493.43173	1.2
508.22263	3.7
509.23575	33.7
526.23413	49.9
526.31421	2.5
527.24597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.05513	9.2
57.03439	14.6
59.04999	2.4
63.38553	1.6
67.05497	10.5
69.03431	38.8
69.07074	8.6
70.32914	5.2
71.04994	3.5
73.02927	3.4
79.05492	6.4
81.03405	2.4
81.07061	34.3
81.56271	1.7
83.04984	3.3
83.08615	6.7
83.82629	1.9
85.02909	29.9
85.06543	5.5
87.04475	21.0
91.05488	11.3
93.07046	10.1
95.08610	38.2
95.51981	1.8
97.02897	35.2
97.06535	5.6
97.10175	6.1
99.08096	6.6
103.05485	1.8
105.07035	15.0
107.08608	6.8
109.02860	2.0
109.10165	2.7
109.48779	1.9
111.08089	2.7
115.03934	33.1
115.07552	2.3
119.08583	20.6
120.08060	1.8
121.10125	5.6
123.04425	6.4
124.04787	2.9
127.03900	4.2
133.04970	30.2
133.10118	17.1
135.11716	12.4
137.05887	1.9
137.09564	2.4
137.13237	8.9
141.09030	2.4
145.04979	3.5
147.04424	3.1
150.07652	7.6
151.03951	5.7
152.04245	2.3
153.01843	6.2
154.02179	2.2
161.13264	64.1
179.14314	100.0
180.14627	2.2
197.15372	66.6
215.16449	27.0
268.18866	1.8
281.94254	1.8
292.94159	1.7
411.39740	1.9
455.27765	2.8
482.24313	3.8
483.25226	1.9
526.23334	16.1
527.15698	2.1
527.24341	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	526.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.1
57.03440	14.5
57.07076	4.4
59.05009	3.1
65.03951	3.0
67.05508	100.0
69.07069	16.5
71.04996	3.1
71.76963	1.7
79.05491	10.1
81.07059	41.8
83.08622	13.7
85.06569	3.6
89.06026	12.6
91.05476	10.5
93.07061	14.3
95.08621	28.3
97.06535	2.1
97.10207	3.1
102.69878	1.9
105.07031	4.1
107.08588	7.0
109.10159	81.1
110.10515	1.9
111.08092	3.6
119.08619	8.6
121.10144	4.8
123.08147	2.0
123.11710	5.3
123.28017	1.7
133.08607	8.8
133.10185	4.3
135.11693	1.8
137.09622	5.2
137.13252	2.3
149.13266	2.4
155.10638	8.1
161.13324	2.6
173.11748	27.0
173.13156	2.8
177.11250	3.5
229.14355	90.5
230.14714	2.4
245.22606	2.0
263.23785	6.4
304.18942	1.7
327.20154	5.5
337.27383	85.9
338.27661	5.2
360.30438	1.7
403.03061	2.0
491.37299	53.4
492.37720	5.0
548.32715	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	526.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.5
57.07079	59.2
58.09808	1.3
60.08168	2.0
61.93380	1.0
62.76494	1.2
64.16387	1.2
67.05501	6.8
69.01252	3.7
69.01677	6.9
69.07066	8.5
71.08636	53.4
73.06558	3.6
79.05502	5.0
81.03426	6.0
81.07056	5.1
83.08624	4.9
85.10184	31.9
85.10661	2.0
86.09709	3.5
87.04484	3.6
89.06035	100.0
90.06359	1.7
91.05496	5.0
93.07035	5.4
94.04512	1.0
95.04946	1.6
95.08636	4.4
97.10145	2.4
98.22574	2.3
99.11726	6.9
104.10736	6.1
105.07059	2.3
105.11121	1.6
107.07074	1.7
107.08584	2.7
109.10168	2.3
111.11710	3.1
113.13296	5.9
117.07017	1.9
117.09164	4.1
119.08629	2.8
121.10098	2.0
125.00025	2.5
127.14866	1.7
129.06979	1.4
130.08684	1.3
131.07037	2.1
131.08586	2.6
133.08604	62.4
134.08971	1.5
145.10132	1.4
149.13330	1.3
157.10193	1.1
157.26395	1.2
171.11632	1.1
173.13350	1.1
177.11230	23.9
183.21094	2.1
184.07365	5.2
185.07657	1.7
186.07913	2.3
193.12251	1.9
221.13890	4.1
227.23735	2.6
239.14851	2.8
256.26465	2.5
271.26465	2.7
283.17584	3.9
294.22522	1.1
315.29041	3.5
327.20099	17.0
465.37726	1.3
509.40610	11.6
526.36682	1.4
527.37323	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	527.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
69.03439	3.3
69.37299	4.8
69.37705	2.4
79.01862	4.2
81.03419	7.4
85.02909	3.4
86.79567	1.3
97.02886	7.7
107.01336	3.8
107.04926	2.2
109.02897	4.7
110.03642	1.7
121.06484	1.5
125.02345	4.9
125.05984	8.5
127.03914	5.6
131.11929	1.1
133.02943	1.3
135.04449	2.9
137.06024	1.6
143.03371	4.8
149.05969	2.3
151.03896	9.1
153.01834	100.0
153.02795	4.4
154.02142	2.3
163.03934	2.1
165.05515	4.0
167.07074	1.7
171.02907	8.7
177.05507	2.7
195.06552	3.4
213.07628	13.7
271.23947	1.2
296.27011	1.2
297.06223	6.2
299.26468	1.4
315.07074	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	527.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
60.81833	1.0
65.03943	1.6
67.05499	1.3
68.28592	0.9
68.99785	1.7
69.03654	7.1
71.04971	1.1
81.03429	7.4
81.07069	2.3
86.53848	0.8
89.03925	7.5
91.05487	12.7
92.82992	0.8
95.04968	1.2
95.08647	0.9
96.55284	0.9
99.04454	5.8
107.08636	1.2
109.02869	9.0
109.06561	1.0
109.10088	0.8
117.03394	14.4
119.04948	22.0
127.03935	5.9
134.03621	1.3
145.02852	34.4
147.04410	100.0
148.04741	2.4
149.06042	4.7
169.04974	28.2
175.82794	0.9
177.05473	74.3
178.05783	3.0
185.06024	0.9
245.07338	1.0
255.06398	1.4
273.07556	5.4
285.07562	1.9
299.97870	0.9
303.08704	2.1
315.08511	1.8
345.09808	1.1
369.38074	1.0
411.02359	1.0
527.31476	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	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06384	0.5
70.06698	0.6
76.21165	0.4
79.05470	0.4
81.07050	1.0
81.96690	0.4
83.32193	0.5
91.05486	0.7
93.07050	0.6
107.08617	0.9
118.16295	0.4
118.82681	0.4
121.20367	0.4
130.71414	0.5
146.26535	0.4
185.04228	0.8
203.05247	2.2
227.05301	1.0
245.06320	6.4
261.18225	2.2
271.04199	0.6
279.19324	4.8
289.05319	9.2
305.82166	0.4
346.77478	0.4
423.23242	2.0
430.67960	0.5
441.24500	6.8
465.24670	7.1
466.24988	0.8
483.25671	21.2
484.26077	1.6
509.23611	31.6
510.23874	2.5
527.24640	100.0
528.25018	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30542	1.5
73.92106	0.5
73.97430	0.4
84.55251	0.4
180.36694	0.4
207.52911	0.5
245.06453	0.8
257.19095	0.6
261.18250	0.6
279.19348	5.3
399.07309	0.5
423.23859	2.2
441.24539	6.5
442.24615	0.5
465.24649	10.8
465.31064	0.8
466.24857	0.6
483.25702	24.9
484.26038	2.4
509.23615	31.3
510.24078	2.6
527.24683	100.0
528.24982	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
53.03955	3.5
55.01878	1.7
55.02682	0.6
55.05516	12.3
57.03449	3.0
57.07080	2.0
65.03941	1.9
67.05508	25.3
68.93031	0.6
69.03419	0.9
69.07071	8.6
71.05009	1.0
72.47762	0.6
77.03931	0.7
79.05498	21.3
81.03423	12.8
81.07060	23.3
81.07531	1.4
82.07404	0.6
83.04982	2.0
83.08621	7.5
85.06570	1.1
89.53142	0.6
91.05486	21.3
93.07043	19.4
95.04978	4.5
95.08614	13.5
97.06555	2.3
97.10178	3.3
99.08109	1.0
101.52494	0.6
103.05503	1.0
105.04528	0.5
105.07035	16.9
107.04973	1.7
107.08609	10.6
109.06542	1.1
109.10166	6.4
111.08087	2.2
115.05485	2.2
116.06212	0.8
117.07022	11.2
119.08579	11.9
121.06546	1.1
121.10151	8.5
123.08097	0.7
123.11726	1.3
125.09628	1.5
128.06261	2.5
129.07018	13.7
129.07994	0.7
130.07791	1.1
131.08572	18.2
133.10130	9.1
135.08105	1.4
135.11662	4.2
141.06973	3.5
142.07816	3.4
143.08569	14.2
143.09679	0.9
144.09305	0.9
145.10136	14.5
147.08076	0.9
147.11691	5.6
149.09581	0.9
149.13321	1.9
154.07858	1.0
155.08559	9.3
156.09311	1.4
157.10136	14.0
158.10806	0.7
159.11700	9.8
161.13257	2.8
163.14861	0.7
165.07025	0.8
167.08604	2.6
168.09433	0.9
169.10129	9.3
170.10892	0.9
171.11694	10.0
172.12439	0.9
173.13252	6.5
175.11229	1.4
175.14844	1.6
179.08611	1.3
180.09196	0.8
180.44568	0.7
181.10138	3.4
182.10916	0.8
183.11670	7.7
185.09740	0.8
185.13255	7.9
187.14897	2.0
189.12755	0.8
193.10414	1.0
193.12288	4.8
195.11755	3.4
195.13712	1.2
196.12320	0.6
197.13269	7.0
199.14848	4.4
201.16452	0.9
207.11664	1.4
209.13248	2.9
211.14795	3.3
213.16440	1.6
219.11790	0.7
221.13441	1.0
223.14877	2.7
225.16473	1.7
227.17957	0.9
229.38750	0.9
235.14877	1.5
237.16516	1.8
239.14326	0.9
239.18037	1.0
243.21059	0.9
249.14722	0.9
251.18071	1.3
253.19736	0.7
257.19052	0.8
259.20523	0.8
261.22195	1.6
265.19366	0.8
271.20667	0.9
271.94150	0.7
283.20581	0.9
285.22076	0.9
295.20718	0.8
297.22131	2.0
299.23666	0.6
309.22275	1.3
311.23459	1.3
315.23337	0.9
323.23743	2.0
325.21631	0.7
325.25412	0.8
327.23047	0.9
337.25336	0.9
341.24741	1.0
351.23135	0.7
351.27124	0.8
366.06653	0.6
367.26376	0.8
393.28018	0.7
415.28104	0.7
417.31616	4.3
435.32574	12.8
436.32797	1.7
453.33630	6.8
471.34686	2.5
473.34314	0.8
491.35504	1.0
494.93329	0.6
509.36420	6.4
527.37354	100.0
528.37744	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	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44796	0.7
51.02381	1.9
53.03943	3.1
53.69653	0.7
55.01870	2.3
55.05244	1.2
55.05511	18.7
57.03433	3.2
57.07071	1.6
59.05023	0.9
65.03949	2.2
67.05506	35.6
67.95636	0.7
68.05836	0.8
69.03434	1.4
69.07068	15.7
71.04996	2.7
73.88018	0.8
79.05498	27.0
81.03423	15.6
81.03870	1.4
81.07059	35.4
83.04991	2.7
83.08614	10.2
85.06548	2.1
91.05485	28.9
93.07047	30.5
95.04985	8.2
95.08614	20.4
97.06544	3.6
97.10188	5.1
99.08015	0.9
105.04551	1.3
105.07030	26.4
107.04952	2.3
107.08595	16.9
109.06538	2.1
109.10151	8.3
111.08098	2.9
113.18987	0.7
115.05501	2.5
117.07019	13.3
119.08582	18.2
121.06549	1.2
121.10162	10.9
123.08048	1.8
123.11697	1.8
125.09660	2.9
128.06223	2.8
129.07014	13.3
130.07765	1.2
131.08571	22.0
133.06537	1.1
133.10139	11.4
135.11687	6.1
137.09627	1.4
139.11221	0.9
141.06985	4.9
142.07796	3.1
143.08563	15.5
144.09253	1.0
145.10136	20.3
147.08086	1.8
147.11714	7.9
149.09653	1.4
149.13248	5.4
153.06985	0.9
155.08574	7.8
156.09377	1.7
157.10126	17.4
158.10614	1.4
159.08072	0.9
159.11684	13.2
161.09717	0.9
161.13257	4.2
167.08626	2.9
168.09351	0.9
169.10144	12.0
170.10757	1.4
171.11691	13.5
172.12123	0.8
173.13268	9.5
175.11165	2.0
175.14902	1.5
177.12918	0.9
179.08543	1.3
181.10118	4.9
182.10999	1.0
183.11710	11.7
184.12354	0.8
185.09573	0.9
185.13266	10.4
187.14868	3.8
193.10387	1.7
193.12286	6.4
195.11751	4.5
195.13441	1.1
197.13274	6.5
199.14844	4.9
201.16414	1.9
202.49756	0.8
207.11696	1.4
209.13185	3.7
211.14861	4.6
213.16499	2.7
217.15913	1.0
221.13286	1.9
223.14906	2.8
225.16452	2.6
232.35181	0.8
235.14914	1.5
237.16266	1.6
239.17998	1.1
249.16481	1.3
251.17989	1.3
253.29388	0.8
259.20633	3.0
261.22113	2.1
265.19629	1.4
269.19342	1.1
283.20566	1.3
287.20166	1.2
293.22678	0.9
295.20697	1.5
297.22137	1.9
299.20148	1.1
301.21890	1.2
311.23730	1.3
315.23178	1.8
317.24875	1.0
323.23767	1.4
327.23242	1.6
341.24817	1.1
351.26978	0.9
407.33072	1.1
417.31732	4.2
425.34430	1.0
435.32605	13.2
436.33118	1.2
453.33682	7.9
454.33926	1.2
471.34586	4.9
473.33838	1.2
491.35571	1.1
499.38126	1.0
509.36349	6.4
527.37360	100.0
528.37866	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	528.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03944	1.0
54.25355	0.3
58.09748	0.2
59.82163	0.2
61.34739	0.2
62.06199	0.3
67.52515	0.3
71.28020	0.3
77.03927	0.4
80.84929	0.2
91.05482	3.4
93.07050	6.4
95.04955	0.9
103.05476	3.9
105.04521	0.3
121.06512	100.0
121.46511	0.2
122.06850	2.7
137.05992	0.9
138.09149	24.1
139.09491	0.5
146.55228	0.2
163.04832	0.2
247.33899	0.3
307.21130	0.3
318.79297	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	528.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37437	0.8
53.03944	1.9
55.01860	3.2
55.05537	0.8
57.03423	3.4
61.02924	1.8
69.03083	1.3
69.03431	17.6
69.07388	1.6
69.07781	5.4
70.06567	1.0
73.02905	1.2
75.82488	0.8
79.05471	1.0
81.03421	16.5
85.02907	26.2
93.07030	1.4
97.02888	14.6
98.22633	1.4
99.04466	5.0
99.34477	0.7
101.02385	1.2
109.02881	100.0
110.03215	1.7
115.03912	1.1
121.06537	1.0
121.10150	1.2
127.03915	48.8
128.04204	0.9
137.05949	3.6
139.03917	5.3
145.04951	8.7
149.09627	1.7
163.05963	0.8
169.04968	39.5
170.05342	1.2
179.06982	2.4
180.08676	1.1
192.03946	0.8
211.06041	3.4
271.08087	2.3
331.10117	5.9
528.14569	6.2
528.22797	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	528.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63248	1.5
70.06622	1.8
91.05486	4.2
93.24007	1.5
94.04202	3.3
98.23344	4.6
103.16683	1.4
105.07046	2.7
108.09544	1.4
108.66654	1.7
109.06515	23.8
118.06544	16.8
119.07397	1.9
121.06532	15.1
133.06503	36.4
135.06812	2.4
135.08031	2.3
137.05983	96.4
138.06314	1.8
150.09146	90.4
151.07573	1.6
161.06024	9.3
171.06604	1.6
179.07040	98.4
180.07312	2.4
196.09706	100.0
270.30612	1.4
547.54596	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	528.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34660	3.7
55.89210	4.1
57.03447	9.0
61.02906	4.3
69.03426	6.1
69.07164	24.2
69.07585	11.0
73.02908	21.3
77.60422	5.0
81.03411	10.2
85.02884	9.9
91.05474	15.3
95.05023	4.6
97.02892	10.8
103.05498	21.2
105.07051	7.3
107.04969	14.2
109.02873	26.3
109.07613	3.7
114.04530	4.2
115.03977	9.0
115.05457	4.3
119.04954	8.8
127.03915	13.0
131.04913	35.3
137.05978	100.0
147.04434	16.7
149.06006	11.7
151.07570	29.3
161.05997	33.5
161.09637	7.1
163.07545	61.3
169.05011	9.5
175.07594	9.6
177.05508	10.1
177.09094	27.9
179.07115	5.8
181.08633	8.2
189.09108	21.8
191.06956	6.0
203.06978	4.9
207.10159	36.0
219.10159	8.0
221.11755	6.6
227.10599	6.7
287.12888	15.3
297.11282	6.0
311.12717	14.1
313.14233	18.1
331.15472	46.6
343.15570	8.2
528.14954	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64106	1.6
52.67212	2.0
53.03939	5.4
55.01874	2.9
55.05515	6.2
67.05511	4.8
69.03429	15.2
69.58989	1.9
69.91032	5.5
71.04998	7.8
79.05495	16.5
81.03428	22.0
81.07063	7.6
83.04985	5.5
85.02915	6.5
88.10864	1.7
91.05479	9.5
93.07055	43.5
95.04990	4.5
97.02918	9.0
97.06567	3.2
99.04462	15.3
105.07037	68.9
107.04965	2.7
107.08602	82.9
108.04494	3.5
109.02909	13.0
109.06547	4.9
111.04443	4.1
111.08087	3.4
117.07011	5.0
119.08586	23.0
121.06517	25.8
121.10151	35.1
123.08090	2.4
127.03922	13.2
129.06995	2.3
130.07866	2.4
131.08575	5.8
133.10165	3.5
135.08060	12.4
135.11710	18.3
139.03920	2.0
141.05470	2.3
143.08641	2.2
145.10132	40.6
147.08084	2.9
147.11699	6.1
149.05959	2.5
149.09627	15.3
155.08574	2.3
161.09589	4.1
163.11194	100.0
164.11499	2.8
173.09677	7.6
179.10706	2.5
181.12271	19.7
189.09132	2.7
191.10683	87.7
192.11009	2.2
203.10666	1.8
207.06598	1.7
207.10234	2.0
209.11743	37.7
223.64694	1.8
227.12782	31.0
231.06554	5.0
249.07703	5.4
253.12366	3.0
271.13330	2.6
278.89526	2.0
289.14236	1.9
299.12836	5.4
311.14886	2.6
317.13794	18.1
335.11218	3.1
335.14923	29.5
336.15387	2.5
341.63892	1.7
353.15961	19.9
354.16696	1.9
371.17288	1.8
473.32834	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	528.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.7
55.01875	2.7
55.05511	3.8
57.03434	2.2
64.11052	1.0
65.03945	1.1
67.05506	5.6
69.03429	16.8
69.07069	3.0
69.16254	7.8
71.04993	7.6
79.05492	24.0
79.05917	2.1
81.03419	37.3
81.07052	7.0
83.04980	3.4
85.02887	7.9
91.05479	12.3
91.28972	0.9
93.07046	49.5
94.07391	1.3
95.04974	5.4
95.08599	2.2
97.02899	7.2
97.06525	4.6
99.04460	21.9
101.06078	1.2
101.30498	1.3
103.05518	1.3
105.04542	1.1
105.07031	62.3
106.07357	1.8
107.04947	2.6
107.08596	100.0
108.04491	1.7
108.08910	2.7
109.02881	17.3
109.06534	3.8
109.10201	1.1
111.04449	5.8
111.08081	4.9
116.06271	1.3
117.07015	6.6
119.08582	20.1
121.06508	21.2
121.10143	36.2
123.08083	2.2
127.03921	17.4
129.06963	1.3
130.07797	2.2
131.08568	7.7
133.06476	2.4
133.10139	3.9
135.08076	9.6
135.11693	18.8
136.96298	1.0
139.03857	1.6
139.07562	1.5
140.38567	1.4
141.05432	1.0
143.08571	2.4
145.05013	1.1
145.06473	1.4
145.10120	47.5
146.10538	1.6
147.04433	1.5
147.08031	2.1
147.11720	3.9
149.05995	2.2
149.09628	13.1
151.07495	2.8
155.08600	2.2
158.07201	1.2
159.07961	1.2
161.09587	5.3
163.03952	1.5
163.11183	89.8
164.11607	2.9
171.08075	1.1
173.09610	9.4
175.11145	2.3
179.10663	1.4
181.12230	19.5
189.09126	4.2
191.10667	79.2
192.11089	2.7
201.09198	1.7
207.10190	2.7
209.11731	32.8
210.12166	1.6
210.14365	1.1
211.11153	1.7
219.10234	1.3
227.12775	32.2
231.06563	3.9
243.13696	1.4
249.07706	2.4
253.12248	3.4
271.13324	4.9
275.12753	1.6
289.14383	4.5
299.12817	5.5
307.15146	1.4
317.13806	13.3
335.14832	13.7
353.15933	47.1
354.16241	1.8
371.17203	3.4
466.24506	1.6
484.26227	1.5
510.23718	3.7
528.25073	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	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
59.04996	1.2
67.05502	2.3
69.00163	7.1
69.03425	1.9
69.07061	2.1
71.04995	0.8
79.05483	2.4
81.07066	5.1
83.04971	1.2
85.02906	7.2
91.05474	2.2
93.07042	4.0
95.04955	3.2
95.08608	5.3
97.02893	1.1
97.06520	4.0
105.07027	5.2
107.08607	4.3
109.06524	2.4
109.10154	6.9
111.08084	1.0
115.98392	0.8
119.08581	5.2
121.06508	2.9
121.10132	2.6
123.08130	0.9
123.11696	3.0
127.03896	1.0
129.06996	0.9
131.08572	5.3
133.10133	4.7
135.08041	4.1
135.11731	1.1
142.07841	0.9
143.08551	3.8
145.04951	1.2
145.10107	6.7
147.08069	2.4
147.11671	5.0
149.13289	2.4
155.08560	2.3
157.10121	6.1
159.08073	1.2
159.11684	8.8
161.09601	2.6
161.13252	11.4
163.11156	1.5
163.14783	1.1
165.05513	1.1
169.10120	3.0
171.11696	2.1
173.09648	2.4
173.13252	10.2
175.07553	1.7
175.11166	1.7
175.14827	1.6
180.08698	1.5
182.10793	0.9
183.11703	7.4
185.13284	2.8
187.11192	1.2
187.14801	0.9
197.13234	7.7
199.14819	5.3
201.12741	3.9
201.16353	0.8
203.10777	0.9
211.14784	5.0
213.16380	4.9
215.14452	1.8
215.17935	6.0
224.15639	0.9
229.15907	9.8
229.19464	5.1
239.17938	39.6
240.18295	2.8
241.01015	0.8
241.19569	1.4
243.17250	0.9
257.19009	100.0
258.19370	8.0
259.16968	0.8
267.17365	0.9
275.17059	1.2
275.20053	3.7
285.18500	45.6
286.18781	3.4
303.19547	52.9
304.19852	2.8
331.19031	71.4
332.19250	4.2
349.20081	21.2
350.20398	1.9
424.65060	0.8
466.24475	0.9
484.26086	2.0
510.23877	2.1
528.25085	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	528.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24738	1.2
55.05509	1.8
57.07078	26.2
67.05506	2.1
69.07069	1.5
70.96454	2.1
71.08640	24.6
73.06561	9.1
79.05485	2.2
81.03377	1.3
81.07067	1.6
83.08614	4.3
85.10186	26.5
86.10510	1.4
87.04478	4.1
89.06033	100.0
90.06377	1.6
91.05437	1.2
95.08612	1.7
97.70781	1.2
99.11740	2.5
107.07069	3.2
109.02196	1.1
117.09122	5.7
119.14820	1.3
131.07037	2.9
133.07617	2.7
133.08607	45.1
141.16396	5.0
161.11774	1.6
177.11232	20.5
185.19032	5.8
190.96516	1.2
195.12299	1.9
221.13765	3.5
229.21629	10.5
239.14963	1.6
273.24365	4.5
283.17392	1.7
301.17987	1.2
350.14108	1.4
371.22791	4.7
441.04172	1.4
511.38287	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	528.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85815	2.5
55.05512	21.2
57.03447	16.4
57.07073	9.8
57.79599	2.6
59.04996	6.0
65.03926	3.3
67.05510	100.0
69.07079	24.9
69.61955	6.8
69.62358	7.0
70.58752	2.6
71.04984	2.5
71.08633	4.1
79.05493	7.3
81.07061	25.6
83.08626	19.4
84.08949	2.9
85.06544	3.9
87.14010	2.3
91.05478	7.7
93.07056	14.8
95.08604	20.2
97.06544	4.3
97.10151	12.3
107.08622	5.2
109.10162	73.9
111.08060	4.1
119.08553	6.4
121.10151	7.7
135.11682	7.7
173.11710	27.1
181.23564	2.9
229.14383	86.1
265.25302	3.7
274.03940	2.8
283.26291	9.0
311.29327	3.4
339.28955	61.8
340.29309	4.9
410.76147	3.0
452.28500	2.9
493.38882	38.5
494.39075	2.9
498.14368	3.0
528.49756	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	529.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01869	1.0
53.03944	1.3
55.01875	6.3
62.64299	1.2
68.03508	0.9
69.03438	7.5
69.15215	1.1
71.28200	1.3
73.02926	2.4
79.05483	2.4
80.42598	1.0
80.72988	1.0
81.03423	6.3
85.02913	4.4
91.05486	9.3
97.02878	7.0
99.04462	1.2
101.02361	3.1
103.05476	29.3
105.06998	1.6
106.60433	1.2
107.04973	4.1
109.02889	6.3
117.07009	1.4
118.06534	1.4
120.04460	2.5
120.08113	100.0
121.06508	3.2
121.08447	2.0
127.03915	11.9
128.05020	1.3
129.07004	4.4
131.04942	12.4
131.08569	2.3
132.04460	3.4
132.08076	1.5
145.04997	2.1
146.02376	2.5
146.06035	6.6
149.06006	2.7
156.08096	9.3
157.06487	3.9
160.07454	1.0
166.08670	2.5
174.05508	23.3
174.09140	8.8
175.05859	1.3
184.07594	12.4
185.06012	2.4
202.05006	67.7
202.08635	72.1
203.05411	2.3
203.08987	3.3
209.04523	1.7
220.06084	27.0
220.09433	5.5
221.06552	1.4
225.98169	1.1
228.06555	1.8
230.08121	18.9
245.06523	2.1
248.09209	15.7
281.76239	1.1
282.26056	1.0
290.10281	2.0
310.12781	2.0
338.53909	1.2
346.12878	1.8
349.11749	1.3
364.14038	1.8
367.12527	2.5
374.12332	10.8
392.13397	19.0
475.14603	2.4
530.22644	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	529.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
60.04527	3.4
69.07072	1.5
69.55735	0.4
70.06593	100.0
70.55547	0.9
71.06026	0.4
71.06924	0.9
72.08155	12.4
86.09707	18.2
87.05592	2.8
87.41930	0.4
89.03947	0.4
91.05441	0.6
114.09166	5.0
116.07081	1.4
117.03390	1.7
118.06550	1.1
127.08678	48.0
128.07094	0.5
128.09076	0.9
128.10753	0.6
136.07574	0.5
139.08672	1.7
139.64642	0.5
145.02840	5.5
146.06039	1.9
147.66060	0.4
155.08153	41.4
156.08519	0.7
157.09798	0.7
159.11295	14.4
159.12628	0.8
167.08191	3.3
169.13382	0.5
173.09308	0.6
173.33499	0.4
177.05464	6.2
183.14923	17.2
187.10785	3.9
189.12358	4.9
209.93263	0.4
211.14398	6.1
224.10191	0.5
226.11929	0.9
227.17606	1.3
240.17075	8.5
244.13017	1.4
248.12784	0.5
255.17162	0.6
257.94717	0.4
268.16568	16.0
282.14484	1.0
286.17612	19.1
287.18094	0.7
306.14481	0.7
323.17239	1.2
325.13196	0.6
337.18930	0.7
339.23929	0.5
341.18338	1.3
343.19763	32.6
344.19971	1.3
362.21033	0.8
391.23361	2.5
408.25854	0.6
419.22961	0.8
426.26956	4.0
436.25708	2.1
454.26492	4.3
459.72946	0.5
493.27872	0.5
511.28607	1.7
512.27496	4.9
529.29919	4.7
530.29443	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30874	1.3
53.03951	7.1
55.01868	8.7
55.05513	16.1
57.03439	14.5
59.05011	1.4
61.02928	37.6
65.03933	3.5
67.05505	45.5
69.03432	20.7
69.07069	25.5
70.43684	3.2
71.01362	2.9
71.04980	6.2
73.02921	19.6
73.35555	1.6
77.75328	1.3
79.05492	43.6
81.03418	18.7
81.07056	100.0
83.04978	7.9
83.08627	15.1
84.83847	1.5
85.02428	2.6
85.02907	35.8
85.06548	3.4
91.03956	17.1
91.05486	33.5
93.07043	27.8
95.04969	11.8
95.08611	26.4
97.02894	33.8
97.06541	9.7
97.10152	2.1
99.04465	6.2
99.08080	5.1
101.02368	8.7
103.03949	2.9
103.05486	2.3
105.07030	33.7
107.04928	9.7
107.08585	17.8
109.02872	5.5
109.06514	21.4
109.10164	9.8
111.04497	1.7
111.08060	7.4
115.03941	2.0
117.07002	9.4
119.08578	29.3
121.06487	7.8
121.10162	15.5
123.04394	2.2
123.08072	7.8
123.11720	10.9
125.09610	1.9
127.03941	15.9
128.06216	2.0
129.02785	1.3
129.07014	3.5
131.08553	14.9
133.06490	1.7
133.10126	24.9
135.08044	4.1
135.11691	10.6
137.09619	5.3
137.13124	2.0
141.06992	2.0
143.08582	3.0
145.04951	3.9
145.06383	1.5
145.10123	12.7
147.08029	2.1
147.11682	25.6
147.12762	2.3
149.09616	9.9
149.13229	8.8
151.11232	2.7
155.08620	2.2
157.10138	6.6
159.11676	12.1
161.09686	2.5
161.13283	4.0
163.11180	11.0
165.12747	10.4
167.14366	1.5
169.10262	1.6
171.11665	2.7
173.13293	4.4
174.14738	1.4
175.11176	5.2
177.12781	3.5
179.14334	1.8
183.06580	4.1
183.11678	2.0
185.13289	1.9
187.11256	1.7
187.14877	1.8
189.12878	1.4
191.14314	1.7
193.12251	4.0
195.13821	3.5
197.13263	2.1
201.07516	2.0
203.14136	1.5
218.15103	1.5
223.13298	2.1
229.14101	1.7
229.19527	2.7
239.17903	2.4
247.20647	5.3
257.18991	10.1
275.20053	62.0
276.20386	4.8
293.21109	18.4
349.23746	17.0
367.24805	46.0
368.25064	4.0
511.29276	2.2
529.29456	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	529.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03952	6.0
55.01876	5.7
55.05513	22.0
55.68348	0.8
57.03447	7.0
57.07078	1.7
62.26184	0.6
65.03944	4.4
67.05507	50.1
68.05845	0.7
69.03428	1.6
69.07070	17.0
71.01368	1.6
71.04996	4.3
77.03943	0.7
79.05496	59.5
80.05831	1.3
81.03426	8.0
81.07059	100.0
82.07388	1.4
83.04982	9.0
83.08619	16.3
83.09120	1.0
85.02926	1.0
85.06548	3.6
87.39112	0.6
91.05484	39.8
93.07049	44.2
94.07349	0.8
95.01317	0.9
95.04972	11.5
95.08614	19.9
97.06537	10.3
97.10155	6.4
99.08056	3.1
103.05448	1.7
105.04528	1.6
105.07036	28.2
106.07378	1.0
107.04957	8.5
107.08598	26.3
109.06525	38.9
109.10155	8.8
111.08075	4.0
115.05447	1.5
117.07019	9.2
119.06174	0.6
119.08585	27.4
120.08915	1.3
121.06485	4.2
121.10141	15.5
123.04399	0.7
123.08050	3.8
123.11708	3.7
125.09673	2.7
129.06996	4.4
130.07813	1.5
131.08577	11.5
133.06573	1.2
133.10146	17.1
135.08055	3.8
135.11694	21.8
136.12024	1.1
137.09639	2.8
137.13249	1.5
141.06995	0.8
143.08559	3.0
145.06519	1.1
145.10127	15.7
147.08063	2.3
147.11696	11.3
149.09624	4.5
149.13269	10.6
151.07585	0.8
151.11192	2.6
153.12839	0.7
155.08572	1.9
157.10103	3.0
159.08124	0.9
159.11696	9.0
161.09653	1.9
161.13289	3.0
163.11201	8.3
163.14799	4.3
165.12743	3.1
169.10153	1.6
171.11703	3.3
173.09653	1.7
173.13269	4.0
175.11191	1.9
175.14836	1.5
177.12761	1.1
179.14337	2.1
181.12262	3.4
183.11754	2.2
185.13293	1.3
187.11153	1.3
187.14856	2.5
189.16463	1.0
191.10663	1.0
191.14288	1.5
193.12260	3.8
197.13246	1.7
199.14931	0.7
201.12836	1.3
201.16286	0.9
207.13885	1.0
209.13205	0.9
211.14816	0.8
213.16479	0.7
215.14297	0.9
229.19519	5.0
237.14786	2.1
239.17943	1.5
247.20586	7.6
248.21170	0.7
255.15948	1.7
257.18958	6.9
275.20081	65.3
276.20422	3.2
293.21115	9.3
294.21451	0.7
308.66901	0.7
331.22452	0.9
349.23825	2.6
367.13644	0.7
419.29102	0.8
437.30545	1.5
455.31436	1.0
509.41232	0.7
511.33939	2.3
529.35181	37.3
530.35419	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.01895	2.2
55.05514	23.9
57.03435	6.1
57.07072	4.5
64.39196	1.0
65.03940	4.7
67.05506	71.5
68.05833	1.2
69.07069	23.9
70.06586	1.6
71.04990	4.3
71.08615	0.9
79.05495	61.3
80.05855	1.1
81.03428	6.6
81.07059	78.7
82.07388	1.5
83.04980	5.4
83.08617	13.4
83.09062	1.5
84.08956	1.2
85.06542	4.2
87.04458	5.8
88.07633	2.2
91.05487	41.4
93.07046	65.3
94.07418	1.4
95.04984	8.4
95.08607	39.1
97.06534	8.4
97.10160	2.4
98.23473	1.4
99.08115	1.9
102.09173	1.4
103.05493	1.1
105.04511	2.7
105.07031	31.1
107.04966	1.3
107.08599	34.6
109.06516	4.6
109.10162	13.6
111.08089	5.4
113.06058	1.1
115.05466	1.5
117.07020	18.2
117.37117	0.9
119.08577	21.4
120.62538	0.9
121.06530	2.0
121.10151	27.4
123.08080	2.0
123.11696	4.7
125.09656	1.2
127.07581	1.0
128.06212	2.0
129.06976	4.7
131.08569	21.6
132.08965	1.1
133.06462	1.0
133.10130	18.9
135.08078	2.0
135.11700	16.8
139.11165	1.4
141.06989	2.9
142.07774	1.1
143.08577	6.2
145.10124	16.6
147.11684	7.7
148.11926	1.0
149.09587	1.7
149.13263	25.8
151.11183	2.9
155.08551	2.6
157.10138	7.3
159.11687	19.8
160.10785	1.0
160.50771	1.0
161.13235	6.9
163.11168	1.2
169.10139	4.4
171.11642	5.1
173.13260	8.7
175.14833	1.8
177.12819	4.9
181.10191	1.3
183.11729	2.4
185.13252	3.9
187.14857	4.6
193.12216	1.4
195.11743	1.1
195.13811	6.5
197.13248	1.9
199.14815	3.5
201.16467	2.2
209.13333	3.0
211.14917	1.0
213.14687	1.7
223.14729	1.7
253.14375	3.8
256.26370	12.7
257.19064	1.3
259.20593	2.7
261.22079	4.9
274.22531	1.0
275.20041	4.4
279.20999	1.0
288.67584	1.1
299.23743	1.1
317.24933	1.5
339.26505	1.2
419.32959	3.0
437.34326	8.9
438.34741	1.2
455.35135	3.8
501.35672	1.4
511.37518	4.4
529.39288	100.0
530.39764	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
52.47316	0.7
53.03949	4.9
55.01854	2.1
55.05515	22.9
57.03435	5.5
57.07072	3.4
65.03942	5.6
67.05508	70.9
68.05821	0.9
69.07073	24.1
70.06596	1.0
71.04990	4.4
71.08643	1.8
79.05496	60.6
80.05820	1.0
81.03431	2.4
81.07059	80.2
81.72817	0.9
82.07410	1.3
83.04985	5.8
83.08617	13.4
85.06547	3.3
91.04904	1.7
91.05482	40.0
93.07048	66.7
94.07399	0.9
95.04962	7.2
95.08610	39.3
97.06541	8.4
97.10188	2.9
98.22530	1.4
99.08106	1.5
105.04532	2.0
105.07037	25.0
107.08598	34.8
109.06524	2.8
109.10158	13.1
111.08058	4.5
115.05419	1.0
117.07021	14.8
119.08575	19.4
121.10146	24.5
123.08093	1.3
123.11716	5.2
125.09667	1.4
128.06213	1.0
129.07014	5.4
131.08571	23.4
131.09500	1.5
133.10126	17.2
135.08046	1.2
135.11697	14.6
141.06972	1.1
141.66595	0.9
142.07793	1.3
143.08563	8.1
145.10120	12.9
147.11673	7.9
149.13268	18.0
151.11180	1.3
155.08583	2.8
157.10136	5.7
159.11693	18.1
161.13261	6.1
163.14853	2.0
165.12758	0.9
169.10162	3.6
171.11688	5.4
173.13252	6.8
175.14856	1.8
177.12775	3.6
177.86250	0.8
181.10129	2.2
183.11720	1.9
185.13287	3.1
187.14836	5.1
189.16484	1.1
195.11816	2.5
195.13850	7.3
197.13271	1.6
199.14951	2.0
209.13324	1.0
211.14778	1.7
213.14792	0.9
213.16595	1.4
225.16409	1.0
229.30925	0.8
237.16513	0.9
243.21121	1.9
250.07669	1.0
259.20853	1.4
261.22119	4.2
283.20984	1.4
285.21985	1.2
297.22256	1.6
299.23679	0.8
311.23663	1.4
313.25156	1.0
317.24664	1.6
336.78784	0.9
339.26810	0.9
419.33221	2.0
437.34073	9.9
438.34576	1.0
455.35275	3.6
473.36398	2.5
493.37137	1.2
511.38226	4.2
528.49707	1.1
529.38904	100.0
529.51019	3.6
530.39148	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	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.7
53.03944	8.7
55.01872	4.2
55.05507	24.8
57.07085	7.8
65.03940	3.0
67.05505	82.6
67.05843	5.9
68.94401	2.8
69.07072	22.3
71.04994	5.6
71.30818	3.2
79.05502	51.9
79.05923	5.6
81.03418	43.0
81.03863	4.0
81.07058	77.6
81.07531	5.0
83.04981	3.7
83.08620	16.3
85.06546	3.4
87.04457	6.1
91.05472	40.5
93.07048	53.5
95.04964	18.5
95.08602	45.8
95.09161	3.7
97.06513	5.7
97.10177	5.8
105.07024	24.6
107.08609	27.4
109.10188	17.5
111.08071	5.2
115.23167	3.0
117.07018	7.8
119.08577	16.3
121.10139	21.7
123.08144	2.9
123.11694	7.2
129.07018	8.5
131.08553	14.7
133.10146	22.0
135.11725	12.8
143.08521	5.5
145.10147	10.7
147.08031	2.9
147.11710	12.1
149.09711	4.1
149.13284	8.5
157.10153	9.0
159.11731	8.4
161.13313	4.3
163.14851	4.4
164.71342	3.9
173.13222	5.4
175.11328	5.9
177.12636	3.0
185.13339	3.5
193.12323	17.9
195.13861	6.5
256.26459	8.3
261.22266	4.8
263.23947	3.7
406.35324	3.3
437.34113	7.2
455.35168	4.1
529.38910	100.0
530.39148	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.9
50.86363	0.7
53.00307	0.7
53.03949	5.5
55.01870	3.1
55.05517	22.7
57.03448	5.2
57.07083	3.9
65.03951	5.6
67.05511	75.7
68.05826	1.6
69.03423	1.3
69.05424	1.4
69.05833	4.1
69.07072	27.1
71.05010	3.8
79.05501	61.8
80.05847	1.3
81.03422	1.5
81.07065	87.5
81.23230	0.7
82.07408	1.7
83.04976	4.5
83.08624	13.6
85.06547	3.5
87.04499	1.6
91.05489	39.0
93.07050	79.1
94.07374	1.3
95.04980	8.1
95.08614	37.3
97.06550	8.1
97.10182	2.5
98.23415	1.5
99.08109	2.9
105.04532	2.5
105.07036	24.5
107.08601	38.5
108.08906	0.9
109.06546	3.2
109.10164	12.9
111.08091	6.1
111.11704	0.8
115.05473	1.4
115.06593	0.8
117.07020	14.8
119.08595	16.9
121.06520	0.9
121.10149	29.2
123.08087	1.1
123.11729	3.1
127.07589	0.8
128.06226	0.8
129.06995	4.8
131.08577	19.2
132.09010	0.8
133.10149	14.2
135.08128	1.2
135.11705	16.3
137.09650	0.9
139.11201	1.5
141.07010	1.7
143.08583	5.7
145.10132	13.6
147.11703	8.8
149.09680	1.8
149.13269	26.8
150.13606	0.8
151.11195	1.3
155.08562	2.9
157.10112	5.2
159.11713	18.6
160.12071	0.8
161.13272	4.6
163.14853	1.7
165.12801	0.8
167.08597	0.9
167.14415	0.9
169.10233	2.2
171.11707	4.2
173.13258	6.6
175.14835	1.5
177.12761	4.5
181.10136	0.9
183.11731	2.4
185.13228	3.7
187.14809	3.5
195.12019	1.4
195.13777	6.7
197.13312	1.2
199.14903	2.0
201.16467	1.3
209.13359	0.8
211.14986	0.9
213.14859	1.3
213.16615	0.9
215.18010	0.8
225.16315	0.9
243.21210	1.6
248.54085	0.7
249.35614	0.8
259.20667	0.8
261.22122	6.2
267.21063	0.8
269.17462	0.8
299.23856	1.5
315.23544	0.7
317.24805	1.1
325.25208	1.0
331.26340	0.9
419.33099	1.4
437.34207	8.2
455.35175	2.1
473.36581	0.9
511.37723	2.9
529.38928	100.0
530.39178	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90491	0.4
51.02381	0.7
53.03952	3.7
55.01871	2.0
55.05515	13.1
57.03442	2.8
57.07085	2.5
65.03940	2.2
67.05508	39.6
68.05849	0.6
69.03426	1.1
69.07075	12.0
70.44379	1.3
71.04996	1.9
71.08619	1.1
79.05498	24.4
81.03423	22.1
81.07062	40.0
82.07398	1.0
83.04984	2.3
83.08623	11.0
85.06526	2.5
87.04483	1.9
91.04903	0.8
91.05486	21.8
93.07048	24.8
93.89510	0.5
94.07395	0.6
95.04976	9.7
95.08611	25.3
97.02911	0.9
97.06543	3.0
97.10189	3.7
99.08095	1.4
103.05494	0.7
103.70473	0.5
105.04544	0.9
105.07038	19.1
105.32687	0.5
107.04974	1.9
107.08595	13.4
107.09290	0.9
109.06514	1.2
109.10157	8.5
111.08113	2.9
113.09634	0.5
115.05457	1.0
117.07024	8.4
119.07784	0.3
119.08583	13.6
121.06511	1.7
121.10148	10.7
123.08076	1.3
123.11719	3.5
125.09629	1.3
128.06183	1.3
129.07004	7.8
131.08572	17.8
133.06516	0.9
133.10135	9.9
135.08057	1.1
135.11711	6.4
137.09607	0.9
137.13263	1.3
139.11183	1.0
139.98680	0.5
141.07016	1.6
142.07779	1.4
143.08578	7.8
144.09265	0.6
145.10124	12.0
147.08110	1.5
147.11679	6.4
149.09644	2.2
149.13264	6.8
151.11156	0.7
151.14799	0.6
153.12758	1.0
154.07851	0.8
155.08537	3.3
157.10133	7.5
159.11708	7.0
161.09602	0.6
161.13251	3.1
163.14854	1.6
167.08618	1.2
169.10175	3.6
171.11676	4.1
173.13228	4.3
175.11226	3.1
175.14865	2.6
177.12807	0.8
177.16447	0.6
181.10176	2.1
183.11729	1.7
185.13220	3.7
187.14850	2.6
189.16422	1.8
193.12244	10.9
195.11751	1.7
195.13789	0.9
197.13322	1.6
199.14742	2.6
201.12640	0.6
201.16420	2.4
203.14369	0.6
209.13379	1.3
211.14862	2.0
213.12694	0.7
213.16449	1.8
215.18004	1.0
223.14917	1.3
225.16428	1.4
227.17960	1.3
228.49229	0.5
237.16432	1.1
239.18117	0.7
241.19646	0.8
243.21149	1.0
245.22810	1.0
249.14856	2.5
251.18080	0.6
256.26505	1.4
257.19162	0.8
261.22183	1.7
263.23526	2.4
267.21027	0.5
269.17374	0.8
273.22147	0.6
307.24234	0.7
311.23682	0.8
313.25220	0.9
315.23206	0.7
317.24780	1.4
325.25449	1.0
337.25232	0.7
339.26608	0.7
343.26511	0.6
419.33093	3.0
437.34140	10.4
438.34763	0.8
455.35541	3.7
473.36295	2.1
511.37802	3.8
529.38916	100.0
530.26617	0.6
530.39178	8.4
547.95233	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03947	6.9
55.01877	4.1
55.05511	27.3
55.66269	0.5
56.05841	0.7
57.03443	5.6
57.07079	4.6
65.03942	5.5
67.05506	89.3
68.05840	1.2
69.03429	1.8
69.07069	25.5
70.07410	0.6
71.04997	4.4
71.08618	1.0
77.03908	1.3
79.05494	62.8
80.05824	0.9
81.03422	46.0
81.07056	91.4
82.07401	1.4
83.04986	5.6
83.08622	20.6
85.06554	3.5
87.04459	1.7
91.05480	45.5
91.35273	0.6
92.05834	0.8
93.07045	63.6
94.07375	1.1
95.04971	18.2
95.08607	52.0
95.99693	0.5
96.08945	1.2
97.02896	1.2
97.06526	8.1
97.10172	5.1
99.08089	3.8
103.05492	1.1
105.04500	1.9
105.07032	29.2
106.07387	0.9
107.04958	3.6
107.08595	33.4
109.06526	3.6
109.10155	16.2
111.04459	1.0
111.08089	9.6
111.11734	1.3
111.39581	0.6
113.09648	1.4
115.05461	2.4
117.07027	11.1
119.04945	0.7
119.06085	0.7
119.08585	20.7
120.08902	0.9
121.06510	2.3
121.10146	27.0
123.08086	1.9
123.11719	7.4
125.09654	2.4
128.06241	1.6
129.07001	9.5
131.08563	21.5
133.06509	1.3
133.10126	14.5
134.10480	0.6
135.08041	0.8
135.11697	13.9
137.09641	1.7
137.13281	2.0
139.11180	1.4
141.06963	1.0
142.07806	1.9
143.08600	4.6
145.10127	12.1
147.08052	2.0
147.11700	9.2
149.09624	3.3
149.13258	21.6
151.11163	1.0
151.14900	1.0
155.08586	1.6
157.10124	8.4
158.10716	0.8
159.11702	14.9
160.12064	0.8
161.13220	5.0
163.11259	0.7
163.14888	2.5
165.12807	0.9
167.14311	0.6
169.10155	1.8
171.11703	4.3
173.13252	5.1
175.11176	4.5
175.14816	3.7
177.12752	3.7
179.14394	0.6
181.10214	0.6
183.11775	1.5
185.13313	2.6
187.14854	2.4
189.16402	0.8
193.12244	17.1
195.13795	5.0
197.13263	1.3
199.14890	1.5
201.16449	1.5
203.18033	0.5
209.13234	1.2
211.14822	1.1
213.14766	0.9
213.16508	1.0
215.14194	0.5
231.13916	0.8
233.25510	0.6
237.16103	0.6
243.21136	1.6
245.22691	1.1
249.14844	3.0
256.26370	1.2
259.20569	0.8
261.22159	6.6
263.23721	3.0
269.17523	0.9
275.20029	0.8
281.19223	0.5
285.18353	0.6
299.23761	1.5
315.23209	0.6
317.24908	2.0
325.25433	0.6
337.25241	0.6
373.28046	0.6
393.09781	0.7
419.33255	2.1
427.58090	0.6
437.34030	6.7
455.35345	3.7
473.36426	1.5
511.37521	2.8
529.38892	100.0
530.39185	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01859	1.5
55.05513	14.0
57.03438	3.0
57.07076	3.6
59.65110	0.6
65.03936	2.4
67.05507	38.5
69.03414	0.7
69.07069	13.9
71.04989	1.9
77.03914	1.1
78.54229	0.7
79.05496	26.5
79.33721	0.6
81.03423	15.2
81.07059	38.7
83.04981	2.6
83.08626	8.7
85.06538	1.8
87.04464	1.3
89.15052	0.6
91.05482	23.2
93.07045	27.6
95.04973	7.0
95.08605	22.8
96.08978	1.1
97.05991	0.5
97.06522	3.6
97.10162	3.3
98.23419	1.1
99.08096	2.2
103.05475	1.4
105.04520	0.9
105.07030	21.0
107.04977	1.8
107.08599	13.6
109.06556	1.6
109.10164	8.5
111.08103	2.4
115.05404	1.1
117.07021	10.6
118.07407	0.7
119.04922	0.6
119.08583	15.8
121.06510	1.2
121.10143	10.0
123.08098	0.9
123.11678	3.1
125.09657	1.2
128.06250	1.5
129.07007	8.3
131.08574	20.8
133.06465	0.7
133.10139	9.4
135.08058	0.8
135.11678	5.0
137.09625	1.3
137.13257	1.1
139.11211	0.8
141.07034	1.9
142.07774	1.3
143.08569	9.6
145.06454	0.7
145.10123	16.4
146.10562	0.7
147.11668	5.9
149.09630	1.5
149.13249	4.7
155.08559	3.1
157.10120	9.1
159.11696	7.7
161.13251	3.8
163.14848	1.4
166.07889	0.6
167.08568	0.9
169.10120	3.8
171.11668	5.2
173.13263	5.0
175.11221	2.3
175.14851	2.6
177.12811	0.8
181.10161	2.3
183.11682	4.2
185.13257	4.8
187.14830	4.0
189.12849	0.7
189.16415	0.8
193.12251	4.7
195.11751	2.0
195.13647	0.7
197.13278	3.8
199.14838	3.4
201.12543	0.7
201.16469	2.2
209.13246	1.6
211.14819	2.0
213.16441	3.0
215.17989	1.0
216.81255	0.7
223.14738	1.2
225.16377	1.4
227.17989	1.3
237.16389	0.9
243.21184	1.3
249.14830	0.9
251.18008	1.0
256.26273	1.1
259.20746	0.8
261.22214	1.5
263.23865	0.7
271.20502	0.9
299.23810	1.8
311.23721	1.2
313.25171	0.9
317.24832	2.0
325.25064	0.9
339.26941	0.9
341.24704	1.0
348.07523	0.7
419.33112	3.1
437.34189	10.5
455.35052	3.0
473.36230	1.8
493.36334	0.9
511.37747	3.2
512.38000	0.7
529.38879	100.0
530.39178	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01876	1.7
55.05516	15.7
57.03441	2.9
57.07079	3.9
59.05029	1.1
65.03940	2.0
67.05507	54.1
68.05829	0.9
69.03423	1.5
69.07071	14.7
71.04998	2.6
71.27910	1.2
79.05496	31.7
80.05838	0.7
81.03423	22.0
81.07059	56.1
82.07399	0.9
83.04984	3.2
83.08620	13.9
84.50114	0.7
85.06547	1.8
87.04474	2.2
88.07655	1.0
89.06052	1.0
91.04903	0.9
91.05486	31.2
93.07048	35.8
95.04971	7.6
95.08613	32.3
96.08968	0.8
97.06525	4.0
97.10188	3.4
99.08080	1.3
103.05447	0.8
105.07036	23.5
107.04992	2.7
107.08591	20.1
109.06540	1.8
109.10162	12.4
111.04462	1.1
111.08096	3.9
111.11792	0.9
113.09646	1.1
113.79785	0.8
115.05453	1.9
117.07011	10.4
119.08591	19.3
119.09449	1.0
121.06535	2.2
121.10147	14.8
123.11709	5.4
125.09653	1.4
128.06281	1.7
129.07014	7.9
129.30798	0.8
131.08572	18.5
133.06534	1.0
133.10129	12.7
135.08141	0.9
135.11702	7.9
137.13287	1.5
139.11182	1.3
141.07016	1.8
142.07767	1.9
143.08553	7.1
145.10121	15.3
147.08073	1.4
147.11673	7.1
149.09666	1.6
149.13263	7.1
151.11153	1.2
151.14821	0.7
155.08542	4.1
157.10152	8.6
159.11690	11.1
161.13298	3.6
163.14883	1.5
167.08670	1.0
169.10155	5.2
171.11739	5.5
173.13283	6.4
175.11215	2.7
175.14853	2.2
177.12766	1.3
181.10136	2.5
183.11737	3.1
185.13309	3.5
187.14809	4.8
189.16461	1.5
193.12250	11.2
195.11699	2.2
195.13855	2.5
197.13332	3.1
199.14903	3.3
201.16475	1.8
203.18045	0.7
209.13242	1.8
211.14966	2.6
213.12830	1.1
213.16496	1.9
221.13298	1.1
223.14920	1.7
225.16475	1.8
239.18089	1.0
241.19650	0.9
245.22517	0.9
247.14577	0.8
249.14854	1.7
256.26416	2.2
259.20551	0.8
261.22192	2.3
263.23740	1.9
267.15875	1.1
271.20770	1.0
273.22195	1.2
311.23901	0.8
325.25424	1.2
339.26886	1.0
419.33005	2.3
437.34177	13.0
438.34366	1.0
455.35248	5.2
473.36154	1.4
511.38071	5.2
529.38879	100.0
530.39209	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	530.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01730	1.9
53.03953	11.5
53.73399	1.9
55.56590	2.0
56.93740	2.1
57.03439	4.2
57.54432	2.1
67.01862	3.6
69.03428	28.1
70.29767	1.9
70.45585	3.9
70.45934	3.9
71.04984	8.2
73.02914	2.5
80.30280	2.0
81.03419	30.6
82.68307	2.3
82.70350	2.0
83.04963	2.1
85.02901	9.8
97.02887	8.2
99.04463	13.4
105.07043	5.0
109.02197	3.3
109.02878	24.9
127.03916	47.8
133.02782	3.4
141.28654	2.1
160.67004	2.2
161.02318	7.4
163.03900	6.0
167.07072	2.9
179.03357	4.5
189.01852	17.5
191.03441	8.5
201.01793	5.2
207.02895	8.0
217.01326	42.3
218.01846	3.4
219.02803	11.8
221.00844	5.6
229.01289	2.7
231.02811	3.1
235.02367	38.3
236.02623	2.3
245.00836	38.5
247.02393	4.8
261.04132	3.0
263.01843	20.7
273.00333	27.4
275.01932	3.4
276.66574	2.2
277.03482	3.9
287.01819	2.6
291.01343	8.7
300.99841	9.4
319.00827	48.4
333.02267	6.1
343.08173	2.6
361.02017	2.6
409.62619	2.4
445.03915	22.6
463.05087	100.0
464.05188	6.2
477.06470	7.0
495.07709	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
53.44292	2.0
55.05512	3.9
57.02750	1.8
57.03450	4.6
57.23502	1.8
67.05509	3.1
68.63555	2.1
69.03427	16.2
70.06586	2.8
70.74780	2.2
71.19054	3.5
73.12112	2.1
75.04486	6.4
79.05499	17.7
81.03433	11.4
81.07065	5.2
83.05004	2.7
85.02910	12.1
91.05494	17.7
93.07049	100.0
93.07634	4.8
94.07417	2.5
95.04972	7.1
95.08643	4.0
97.02911	10.3
99.04453	3.1
102.57407	2.0
103.91408	2.9
105.07014	14.4
107.08611	16.8
107.40249	2.2
109.02892	7.2
109.06541	2.5
111.08109	6.3
119.08593	21.7
121.06525	8.5
121.10149	96.7
122.10478	2.2
127.03949	6.4
131.08586	9.2
140.16385	2.3
145.05006	4.7
149.09628	32.5
153.05482	5.3
163.07567	3.9
165.09181	2.8
167.10684	23.5
178.04887	2.0
197.04492	3.7
212.85883	2.2
219.06429	4.7
245.80264	2.3
287.12689	3.7
293.13797	9.1
297.11063	4.4
311.15036	10.7
315.12238	25.2
333.13315	4.7
341.09717	2.4
452.36636	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	530.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30789	0.7
69.55270	2.8
70.06586	1.0
78.04707	0.9
79.05513	0.6
80.46620	0.6
85.02898	1.3
91.05496	1.3
94.04218	1.0
97.02911	0.8
98.23315	0.8
102.87228	0.6
106.04136	0.7
119.04954	1.1
121.06506	0.6
121.17627	0.6
122.03684	4.2
123.04449	3.0
124.05219	0.8
131.04956	0.9
133.18616	0.7
137.05984	95.2
138.06322	1.5
146.18996	0.6
149.05956	0.7
150.22920	0.6
151.03943	0.7
151.07520	0.8
152.04678	1.7
153.01845	2.6
153.05511	0.7
155.08536	0.7
161.05960	1.2
161.43997	0.6
165.05540	0.7
165.06969	0.8
167.07050	100.0
168.07384	1.9
179.07053	1.3
181.04944	0.8
183.08028	1.2
203.38939	0.6
207.04462	0.7
211.07593	1.6
243.10298	0.8
271.09659	1.8
283.09662	1.6
303.12268	7.0
315.12360	6.6
333.13251	3.2
342.84238	0.7
465.74942	0.7
539.25964	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	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.3
69.07071	2.7
77.39618	0.9
79.05498	1.9
81.07059	6.0
85.02903	2.4
85.67938	1.0
93.07037	3.7
95.08618	6.9
103.83748	1.1
105.07029	5.6
107.08588	2.4
109.10163	2.8
117.06989	1.2
119.08561	5.2
121.10116	1.4
129.16002	1.0
131.08569	3.1
133.10126	3.4
135.11661	2.5
143.08611	2.6
143.13200	1.1
145.10107	3.5
147.11679	5.6
149.13277	1.5
157.10167	3.9
159.11719	7.0
161.13258	2.0
171.11729	3.1
173.13300	2.5
185.13263	4.6
187.14825	2.9
193.12286	1.1
193.62556	1.0
199.14830	3.5
201.16441	4.7
205.12224	1.7
213.16412	6.8
215.17766	1.3
228.34052	1.0
231.13786	3.6
241.19519	54.1
242.19940	2.4
243.21104	15.1
244.21536	1.2
259.20547	12.5
263.88254	1.0
269.19089	6.7
287.20062	100.0
288.20425	7.1
315.19540	60.1
316.19836	4.4
333.20554	16.9
334.21167	1.2
341.13638	1.7
369.13290	2.3
455.38541	1.2
531.18427	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	16.5
55.05512	43.6
57.03434	33.4
67.05511	91.2
69.03452	10.4
69.07065	35.8
69.17027	7.3
71.04983	13.7
79.05487	65.6
80.58479	6.8
81.03420	22.6
81.07051	100.0
83.04980	14.9
83.08604	22.5
91.05455	49.2
93.07064	55.5
95.04981	14.3
95.08616	26.7
97.06516	21.3
97.10133	9.5
98.22563	20.1
105.07022	15.5
107.08598	27.6
109.10162	21.5
111.08094	14.5
116.04739	11.5
117.06996	14.8
121.10154	15.3
123.08102	10.5
123.11703	7.2
125.09673	18.0
129.05481	27.8
131.08582	17.4
133.10112	16.3
135.11670	18.7
141.70952	6.9
145.10120	8.6
149.13264	23.3
157.08562	7.5
161.65845	8.8
163.11189	14.1
177.12846	8.5
195.13811	21.6
199.13281	11.8
227.12727	9.3
227.58388	8.0
269.17542	69.2
271.70935	7.7
289.99246	8.9
301.16354	46.4
376.54935	7.7
437.29535	9.8
469.14502	9.6
477.28400	11.2
495.29324	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01875	7.5
55.05515	40.0
57.03437	21.5
57.07072	2.8
59.04995	2.1
65.03955	2.7
67.05509	100.0
69.03420	3.3
69.07067	23.0
71.01363	1.8
71.05009	7.6
73.02924	4.7
79.05497	43.1
81.03413	15.7
81.07060	82.1
82.07398	1.8
83.04966	10.8
83.08623	21.5
83.53986	1.3
85.02920	11.5
85.06530	5.1
87.04474	6.6
89.30479	1.4
91.05481	32.0
93.07043	43.3
95.04979	6.9
95.08613	24.8
97.02898	2.2
97.06519	10.3
97.10190	16.7
99.08100	2.8
103.03931	2.2
105.07039	12.8
106.07288	1.4
107.04948	4.6
107.08595	29.2
109.06530	2.3
109.10158	36.8
110.10505	1.7
111.04436	1.5
111.08077	4.4
117.07012	7.9
119.08600	14.0
121.06486	3.0
121.10155	9.5
123.08097	2.9
123.11702	3.3
125.09631	17.5
129.05473	4.6
131.08571	8.4
133.10132	16.2
135.08058	2.2
135.11700	12.7
137.09587	2.4
143.07088	1.3
143.10672	2.7
145.10153	5.1
147.11752	3.1
149.13287	12.5
151.11174	2.8
153.12688	3.0
155.10632	3.1
157.10146	1.7
159.11671	7.4
163.11220	7.8
173.11758	15.4
176.99323	2.3
177.12747	3.9
187.09331	1.4
191.10632	1.8
195.00305	59.7
195.13783	15.9
199.13332	9.5
201.19821	1.2
209.11717	5.8
226.57248	1.3
227.12697	3.1
229.14343	33.4
251.82707	1.5
256.26483	1.9
267.15729	2.5
269.14688	3.0
269.17490	41.8
270.17908	3.7
301.16458	5.7
337.27417	12.8
411.27261	2.2
423.27463	10.5
495.29379	9.2
513.30554	9.8
531.27014	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.01870	5.2
55.05509	24.8
57.03437	16.0
67.05511	26.4
69.03434	7.1
69.07066	11.2
71.04996	6.2
75.31248	2.6
77.30581	2.8
79.05497	34.0
81.03420	68.1
81.03865	5.8
81.07065	34.2
83.04992	17.3
83.08633	27.1
85.02902	29.8
85.06536	4.4
91.05489	37.5
91.80971	3.0
93.07046	16.5
95.04968	29.4
95.08607	11.0
97.02917	6.0
97.06541	4.4
97.10154	5.3
105.07038	28.6
107.04976	8.5
107.08611	8.1
110.40282	3.2
111.04440	6.4
111.08099	14.4
113.05991	3.3
119.08608	23.8
121.06544	3.8
121.10158	12.0
123.08076	3.4
129.06964	17.3
131.08540	14.6
133.06508	4.3
133.10172	16.6
135.11780	3.3
142.07750	5.3
147.11670	15.1
149.09654	5.0
157.10098	17.0
163.32068	3.0
175.11185	20.7
189.38843	3.1
193.12234	68.4
211.13280	100.0
211.15187	6.2
212.13634	6.2
222.70940	3.1
267.15979	23.8
285.16949	83.8
286.17319	4.3
297.42993	3.5
459.27393	5.9
477.28403	8.3
495.29480	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56972	1.5
53.03949	4.3
55.01873	3.1
55.05521	15.9
57.03451	10.5
57.07084	3.9
57.89930	1.4
60.23511	1.6
64.18105	1.5
65.03934	4.1
67.05511	73.8
69.07076	16.6
71.04996	20.8
78.48877	1.6
79.05500	35.5
80.05827	2.7
81.03413	4.6
81.07063	100.0
82.07373	2.3
83.04990	5.5
83.08631	10.5
85.02932	2.1
85.06554	8.4
89.06013	1.9
91.05486	32.4
93.07053	43.2
95.04979	6.3
95.08617	19.5
96.08990	1.6
97.06522	11.2
97.10178	4.4
99.08117	1.7
105.07037	12.8
107.08601	27.0
109.06529	4.7
109.10171	12.8
111.08088	5.6
117.07028	8.2
117.49924	1.3
117.88435	1.5
119.08583	3.9
121.06524	2.0
121.10125	14.4
121.63321	1.6
123.08084	1.6
123.11748	10.0
125.09615	4.0
131.08597	8.6
133.10110	15.1
135.11697	8.6
139.11221	2.1
145.10141	2.9
147.11632	1.9
149.09653	2.1
149.13268	21.7
151.11183	5.4
159.11676	9.0
163.11249	2.1
173.11783	2.5
177.12784	4.8
183.13837	3.9
187.13306	3.9
195.13818	10.2
195.89340	1.5
217.67738	1.4
229.14429	6.3
257.17429	2.0
269.17487	37.1
275.20203	1.7
276.20380	1.7
301.16718	2.7
301.20023	19.4
316.92297	1.5
419.02521	1.5
437.29007	64.8
438.29102	4.0
451.30569	12.9
463.30536	50.4
464.30789	2.7
495.33368	27.0
496.33850	2.3
530.38904	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	530.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05513	22.0
57.03438	8.1
57.07067	3.2
59.05003	1.1
59.71935	1.2
60.40867	0.9
65.03937	2.8
67.05507	74.1
68.05839	1.2
69.03436	2.3
69.07070	15.5
71.04993	20.9
71.08621	1.5
73.02960	1.5
79.05495	30.8
79.05964	1.6
80.05833	1.3
81.03420	7.4
81.07059	100.0
82.03781	1.1
82.07372	1.5
83.04981	5.2
83.08611	14.7
85.02904	1.2
85.06547	6.5
87.04475	2.9
91.05482	29.2
92.05788	1.0
93.07047	32.0
95.04961	5.6
95.08605	18.2
95.09174	1.6
97.06539	8.0
97.10177	4.2
99.08092	1.5
99.24586	1.0
105.07040	11.4
107.08600	23.9
109.06544	1.3
109.10159	13.6
111.08082	4.9
117.07026	7.6
119.08617	4.8
121.06483	2.1
121.10137	9.7
123.08107	1.4
123.11700	9.8
125.09646	2.5
129.07031	1.9
131.08543	8.4
133.10133	22.5
135.08041	1.7
135.11688	7.5
147.11760	2.0
148.22949	1.1
149.13257	12.2
151.11183	5.8
159.11646	5.4
173.11751	2.3
177.12756	3.6
183.13811	2.7
187.13332	4.0
194.12596	1.3
195.00299	21.0
195.01976	1.6
195.13817	12.2
201.14865	1.5
213.14815	1.4
225.14880	1.7
229.14355	6.6
257.17551	1.4
269.17456	34.0
270.17688	1.3
275.94806	1.1
301.16656	1.8
301.20074	22.2
337.27579	2.9
371.16187	1.1
388.30719	1.3
423.27390	1.8
437.29001	72.1
438.29251	3.7
451.30585	8.7
455.56833	1.3
463.30603	9.2
495.33246	31.3
496.33560	1.8
530.39001	4.3
531.27234	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	530.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06327	3.4
55.05512	18.6
57.03439	13.7
57.07079	41.0
65.03931	5.0
67.05508	72.3
68.94751	2.9
69.03970	15.9
69.04381	10.0
69.07063	24.2
69.11558	3.9
71.04993	6.9
71.08638	21.4
73.02921	3.5
79.05508	31.3
81.07062	100.0
81.64205	3.5
83.08624	16.8
85.06534	10.7
85.10188	10.8
87.04471	29.5
91.05469	14.6
93.07048	23.1
95.08607	91.6
97.10150	7.6
105.00095	5.7
105.06998	7.9
107.08614	7.0
109.10169	10.9
119.08583	6.7
121.10161	8.2
123.11721	7.6
137.13187	3.7
143.32146	3.1
147.11694	8.4
159.11821	4.0
165.12778	9.2
183.13902	4.5
202.77757	3.2
257.17493	69.5
313.27417	56.5
465.77979	3.4
495.40332	42.6
496.40631	4.3
531.40442	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1839
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
50.60191	0.3
55.70205	0.3
68.99536	0.4
69.03506	0.3
78.64304	0.3
81.03427	1.0
83.01113	0.8
91.05483	0.4
95.01086	2.4
97.02901	0.4
98.23385	0.5
109.02900	3.4
113.02125	3.0
119.08588	0.3
127.03693	2.3
137.02138	1.1
153.01888	0.6
155.01884	0.8
155.03156	14.7
159.04266	0.9
171.02658	7.1
172.03473	0.6
177.01639	0.3
177.05568	0.7
188.04497	0.4
189.05336	0.6
192.03993	0.8
196.33630	0.3
201.05244	4.6
202.06003	0.7
204.07581	4.7
217.04842	0.9
219.06302	2.9
220.03375	0.6
225.15060	0.4
259.87192	0.3
263.27744	0.3
275.05377	0.3
275.12015	0.3
280.07248	0.5
289.06827	0.3
323.09232	1.0
333.09464	0.9
349.09171	1.4
381.13010	3.0
399.14035	0.7
531.18524	100.0
532.18811	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	531.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36364	0.4
71.29742	0.7
109.02906	0.8
119.08647	0.6
121.06517	1.0
176.63541	0.5
237.13358	1.6
255.14297	0.8
267.13510	0.6
381.71402	0.6
390.15314	0.6
399.19806	7.0
531.24133	100.0
532.24414	6.5
535.60864	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	531.2934
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
53.64061	0.2
55.05492	0.2
55.60619	0.2
57.52341	0.2
67.05509	0.6
70.05437	0.6
73.02877	0.2
79.05484	0.5
81.03421	0.6
81.07055	0.8
85.02903	0.4
86.09717	0.3
91.05478	0.5
95.04964	0.3
95.08621	0.5
97.02867	0.2
98.23305	0.2
103.85172	0.2
105.07028	0.3
107.08625	0.2
109.10197	0.3
111.76601	0.2
119.08582	0.6
121.10155	0.3
125.00114	0.2
126.46721	0.2
139.03664	0.2
147.11697	0.4
179.03162	0.3
184.07280	1.0
195.21129	0.2
206.91350	0.2
211.13342	0.4
223.05794	1.7
258.14868	0.2
331.22321	1.1
405.22427	0.4
415.24475	0.4
443.23932	4.8
444.24246	0.3
445.29346	0.3
487.26578	9.2
488.27069	0.9
495.26984	0.9
513.28223	4.5
514.28522	0.4
531.29297	100.0
532.29645	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	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01871	7.1
55.05514	33.3
57.03438	13.1
57.07079	9.6
65.03942	4.2
67.05509	100.0
69.03431	4.0
69.07076	29.9
69.13020	14.1
71.05000	7.1
79.05500	73.4
79.49422	2.0
80.05863	3.0
81.03427	9.7
81.07063	88.1
83.04991	8.3
83.08624	18.3
85.06541	5.5
85.10201	2.3
91.05487	80.0
93.07047	69.8
94.07345	2.6
95.04986	10.6
95.08612	47.4
97.06547	11.3
97.10164	11.0
98.22507	3.9
99.08138	3.8
103.05453	3.1
105.00092	2.9
105.04506	4.2
105.07034	67.9
107.08602	45.5
109.06525	6.9
109.10168	30.2
111.08109	5.2
115.05454	4.6
117.07022	23.4
119.08591	51.6
121.06532	4.3
121.10146	29.1
123.08095	4.0
123.11717	7.1
125.09641	6.3
128.06227	6.6
129.07031	14.4
130.07788	2.8
131.08577	40.8
133.06503	5.5
133.10136	50.7
135.08061	2.6
135.11696	36.4
137.09599	3.1
141.07027	4.0
142.07857	2.6
142.26476	2.0
143.08577	25.3
145.10121	40.4
145.24065	2.1
146.15814	2.2
147.08086	3.8
147.11696	29.8
149.09648	4.6
149.13289	8.1
151.11208	6.5
155.08597	7.2
156.09436	4.1
157.10136	26.0
159.11696	25.6
161.09639	7.5
161.13298	19.3
163.11166	5.6
167.08545	3.0
169.10136	11.2
171.11691	22.5
173.13272	21.8
175.11238	2.9
175.14870	10.4
179.10713	5.2
181.10146	3.1
181.12328	7.1
183.11685	14.4
185.13332	17.1
187.14874	9.1
195.11731	4.9
197.11769	8.6
197.13297	7.8
199.14832	14.2
201.16440	4.3
209.13358	3.1
211.11334	2.9
211.14763	4.3
213.16373	5.6
223.14709	2.5
225.16440	4.4
231.21121	3.5
241.19576	14.0
253.14398	8.6
255.15874	23.0
257.19211	2.7
259.20621	31.9
260.20953	2.6
261.22070	3.3
271.15472	3.5
277.21741	3.0
285.22086	5.2
286.94495	2.1
297.22302	4.1
299.23721	3.9
303.23492	3.1
311.23630	3.2
313.21823	3.8
313.25357	4.2
315.23175	3.4
327.23196	4.9
329.25034	2.2
333.24252	15.8
353.25073	3.1
388.72385	2.4
393.31735	4.7
403.30008	6.2
409.30911	3.1
411.32562	6.4
416.69653	2.6
421.30960	23.7
439.31943	22.3
457.32904	14.1
460.67493	2.4
485.36401	5.1
495.34641	5.4
501.35806	3.7
503.37473	18.1
504.37640	4.3
513.35779	75.2
514.36023	9.5
531.36658	60.5
532.37024	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	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01871	5.8
55.05515	41.9
57.03446	18.2
57.07067	8.2
57.11322	1.7
65.03932	4.9
67.05508	90.1
68.05840	3.1
69.03419	1.9
69.07069	32.6
71.04981	7.2
79.05498	79.8
81.03406	5.6
81.07062	80.1
82.07407	2.2
83.04990	10.5
83.08637	18.6
85.06535	7.5
91.05486	78.5
93.07047	84.4
94.07383	3.2
95.04982	11.2
95.08613	57.1
97.06536	14.0
97.10173	16.2
99.08094	3.7
103.05429	2.9
105.04546	2.0
105.07037	67.4
107.07864	3.7
107.08594	60.7
109.06544	3.8
109.10169	26.9
109.11255	2.1
111.08083	4.7
115.05445	3.4
117.07016	27.6
119.08590	67.5
121.06497	2.6
121.10148	32.0
121.64557	2.1
123.08080	3.4
123.11727	7.8
125.09640	8.5
128.06256	5.1
129.07022	20.7
130.07794	3.3
131.08571	57.2
133.06418	1.9
133.10133	55.6
135.08087	5.2
135.11696	45.0
136.12039	2.5
137.09657	3.3
139.11142	2.5
141.06996	4.9
142.07819	4.7
143.08574	28.8
145.10126	57.8
146.10747	2.2
147.08105	3.4
147.10623	3.1
147.11691	39.8
149.09628	5.2
149.13251	10.5
150.54535	1.9
151.11191	2.7
155.08513	12.0
156.09369	3.0
157.10152	28.6
159.11703	40.4
160.12119	2.0
161.09639	2.8
161.13268	31.1
163.11192	7.9
163.14827	4.4
165.12732	3.1
167.08571	4.4
169.10117	16.6
170.10895	2.5
171.11697	33.4
173.13266	30.7
175.11171	2.1
175.14854	12.2
177.12738	2.2
181.10147	4.3
181.12262	7.4
183.11655	16.6
185.13281	23.5
187.14812	18.2
189.11198	4.3
195.11679	7.3
197.13275	15.9
199.13249	2.4
199.14798	16.1
201.12747	2.7
201.16434	6.1
205.15843	2.1
207.11661	2.0
209.13182	4.9
211.14806	8.3
213.16389	6.0
215.17778	2.2
223.14836	5.0
225.16318	2.3
227.12827	5.3
227.17924	2.3
231.21048	3.9
233.13306	2.0
235.14877	2.0
237.16426	2.3
239.17950	2.4
241.19530	24.5
247.16948	2.3
253.14359	5.4
255.15845	34.8
257.19028	2.9
259.20584	55.2
261.22113	7.1
271.20645	2.3
273.22327	2.8
275.20108	3.0
277.21890	3.3
285.22025	4.3
287.20334	3.4
287.23691	7.1
297.22095	3.5
299.23703	3.4
301.21722	2.6
309.22055	3.6
311.23962	2.3
313.21579	3.0
315.23306	3.8
323.23380	2.2
327.23129	3.4
333.24210	17.1
341.24847	3.1
345.24277	2.3
393.31506	4.5
403.29913	6.8
409.31030	6.5
411.32278	11.5
421.30957	29.3
422.31357	4.4
429.33594	2.7
439.32135	23.2
457.33203	20.2
458.33752	1.9
483.34082	2.5
485.36166	6.5
495.34488	6.4
496.34854	2.3
501.35635	5.2
503.37314	25.1
513.35773	100.0
514.35980	8.3
531.36859	46.4
532.37134	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	531.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91417	3.8
55.01870	4.7
55.05508	29.5
57.07071	20.1
58.99584	4.4
67.05508	100.0
67.88564	3.3
69.07074	31.1
71.08631	15.6
71.12074	6.1
73.02927	6.9
77.00618	4.1
79.05498	41.7
81.03420	26.6
81.07062	91.0
83.04977	5.1
83.08618	22.8
85.06546	5.6
85.10163	8.9
87.04467	11.2
91.05480	29.2
93.07043	59.4
95.04983	12.1
95.08614	56.8
97.06533	7.2
97.10165	9.6
105.00092	35.0
105.07045	19.1
107.05017	6.4
107.08595	33.1
109.10172	20.3
111.08115	6.1
117.07056	7.9
119.08606	12.2
121.10143	22.6
123.01189	6.6
123.11711	8.8
131.08598	10.1
133.10139	9.2
135.11684	13.4
137.13260	5.4
149.13295	19.9
159.11743	7.2
161.13306	3.9
177.34540	4.3
193.12340	9.5
208.29845	3.6
531.40436	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01872	5.3
61.02918	1.3
69.03433	12.7
69.34638	8.5
71.05013	3.2
78.11924	1.3
81.03420	12.2
81.35738	1.6
83.21808	1.4
83.22868	1.4
85.02914	3.4
97.02914	3.3
98.22620	3.3
99.04461	5.7
109.02881	7.7
121.06491	4.3
127.03913	9.9
134.78989	1.6
135.04407	1.6
138.87181	1.4
163.03954	3.1
165.01849	2.1
167.97896	1.6
177.01933	1.8
191.03433	10.3
193.01360	5.2
198.32498	2.0
203.03391	5.2
205.79033	1.6
205.80920	1.7
207.02927	6.1
218.02269	1.8
219.02913	15.9
221.00836	41.3
221.79507	1.6
231.02977	5.2
233.00815	8.2
235.02318	13.9
239.01878	8.6
247.02400	14.8
253.03487	5.3
257.00909	4.8
275.01883	21.3
277.03494	2.8
284.99976	1.8
289.03394	4.2
293.02921	2.1
303.01315	6.5
317.02832	1.7
321.02515	2.9
335.04065	3.0
353.05194	7.1
354.29858	1.5
379.06699	1.8
437.07050	2.8
451.09241	1.5
465.06665	15.5
479.08621	2.1
497.09290	100.0
498.09641	7.9
550.81836	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	532.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01861	4.1
69.03436	10.6
70.64662	2.1
71.05003	3.2
74.21593	1.3
75.90378	1.3
80.45525	1.4
81.03423	8.0
85.02900	4.9
90.70217	1.0
97.02902	2.8
99.04449	5.1
101.02387	1.8
109.02876	8.9
111.10793	1.0
127.03929	7.5
149.91928	1.2
165.01880	1.8
177.01985	2.0
179.03516	1.2
191.03436	10.2
193.01314	4.1
203.03436	3.8
205.01288	2.0
207.02888	5.3
218.02127	2.9
219.02881	16.3
221.00810	30.6
221.02881	2.2
231.02858	3.8
233.00829	7.7
235.02368	16.4
239.01883	9.3
247.02408	10.7
253.03508	3.5
257.00833	4.9
265.22882	1.1
275.01895	17.9
281.63309	1.2
285.00400	2.0
289.03448	3.8
293.02856	1.4
303.01343	6.0
307.04535	1.3
335.04056	2.4
353.04858	7.3
387.66779	1.2
447.06064	1.3
465.06573	3.6
479.08246	2.0
485.59653	1.2
497.09277	100.0
498.09564	8.6
523.67700	1.3
552.98114	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	532.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
56.20896	0.2
59.38883	0.2
60.19064	0.2
65.03931	1.7
69.03431	0.4
69.33426	1.1
72.30351	0.2
77.19934	0.2
81.03410	1.9
85.02898	0.7
91.05482	11.9
92.05804	0.4
97.02879	0.3
99.04440	0.3
109.02868	1.0
119.04944	25.7
120.05262	0.6
127.03947	0.4
132.04419	0.9
147.04407	100.0
148.04749	2.8
160.03961	1.0
164.03413	0.7
165.05457	1.6
178.04991	8.3
206.04491	1.9
216.92841	0.2
220.05916	0.3
224.05536	3.0
238.58788	0.2
291.08649	2.9
292.08945	0.3
309.09735	1.1
317.30386	0.2
367.20212	0.2
373.45053	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	532.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53461	2.4
53.03936	4.6
53.17802	2.5
55.01867	2.9
55.05509	6.1
66.78387	2.6
67.05504	35.7
69.03439	15.4
69.07077	3.6
70.06592	9.0
70.56445	2.8
70.56795	4.7
79.05505	6.1
81.03424	17.2
81.07038	14.9
83.04968	17.7
84.08159	3.5
86.09718	13.4
91.05482	29.6
93.07041	18.0
95.04982	7.1
95.08600	19.4
97.02894	16.6
105.07052	5.3
107.08588	8.8
109.02869	5.2
109.06493	5.8
109.10166	86.3
117.07043	7.8
119.08579	39.2
121.06518	11.5
121.10164	3.9
127.03930	9.0
131.04958	3.4
137.06029	3.6
137.09622	31.8
147.04398	4.1
147.08051	65.1
148.08392	2.8
151.03900	6.4
153.01857	8.1
159.08057	3.4
163.07417	3.5
165.09119	100.0
165.10477	6.4
183.10190	10.7
220.11777	4.9
221.04456	3.1
299.09125	7.5
303.63879	3.0
309.13287	16.2
317.10181	3.9
327.14337	12.2
378.57895	2.8
422.23334	3.0
533.22314	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	532.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.21571	0.3
55.05510	0.9
55.37602	0.3
65.03941	1.3
67.05498	0.5
69.03421	1.2
69.07046	0.5
70.06596	1.6
71.29003	0.4
72.08154	1.1
74.06078	0.3
81.03421	0.7
81.07034	0.6
83.04987	0.5
84.04498	0.7
85.02901	1.0
86.09710	2.6
91.05483	12.0
93.07023	0.9
95.08617	1.0
97.02900	0.9
105.07032	0.7
107.08545	0.4
109.02873	0.5
109.10155	1.0
117.07062	0.4
119.04946	22.8
119.08570	1.5
120.05289	0.5
120.08118	0.6
121.06509	0.4
121.10191	0.3
123.08048	0.8
127.03922	0.5
137.09619	0.9
147.04411	100.0
148.04762	3.1
150.84511	0.4
150.93324	0.3
163.03912	0.7
165.09122	1.3
167.03918	0.3
173.12785	0.5
175.07550	0.5
231.13780	1.6
408.06079	0.3
428.98132	0.4
432.86172	0.4
533.20062	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	532.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05518	1.5
57.03424	1.1
67.05508	21.9
69.03436	4.5
71.04990	0.9
71.29132	0.9
79.05511	2.8
81.03427	16.1
81.07067	12.9
85.02897	1.8
91.05489	1.7
93.07049	4.0
95.04980	2.8
95.08599	6.3
97.02895	2.9
99.04465	2.0
107.08578	3.0
109.02882	15.6
109.06545	1.9
109.10160	46.3
119.08577	2.9
125.06014	2.5
127.03915	7.2
129.07068	0.8
133.10152	1.0
135.08113	1.3
137.09622	100.0
138.09973	3.9
139.03920	2.6
145.02823	1.1
147.04340	0.9
147.08015	1.9
147.27234	1.0
153.01888	5.6
155.10684	5.7
162.05559	2.1
162.08748	1.0
165.09128	83.3
166.09482	3.3
177.05504	1.6
178.05078	1.3
183.10210	7.0
201.11240	9.9
210.21016	0.8
291.12296	5.2
309.13336	39.3
310.13647	2.6
327.14386	10.1
528.61151	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	532.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35384	1.1
53.03959	1.5
53.75145	1.0
55.01871	3.7
55.05520	3.9
56.05039	1.9
57.03446	12.1
58.06621	1.5
60.08171	17.7
61.02932	5.1
67.05509	9.6
67.41309	1.1
69.03440	17.8
69.07069	2.9
69.96159	3.8
70.06599	1.3
70.91434	1.1
71.01359	2.1
71.04995	1.6
71.07048	1.1
71.07375	7.1
73.02919	31.5
73.03310	1.8
79.05505	4.8
81.03420	5.5
81.07059	17.3
83.08618	1.3
85.02910	35.7
86.09712	49.5
87.04469	2.7
89.04279	1.1
91.05475	8.4
93.07043	9.9
95.04939	1.4
95.08606	21.3
95.11916	1.3
97.02898	28.4
98.98490	3.4
99.04486	2.3
104.10749	100.0
104.38714	1.1
105.07038	13.6
107.08600	14.6
109.02893	3.7
109.10162	15.3
115.03929	15.1
117.07014	1.5
119.08588	13.2
120.96662	1.9
121.10139	7.3
122.87463	1.1
123.11695	7.5
125.00014	29.9
127.03934	16.4
128.66396	1.1
131.08575	1.5
133.04971	14.7
133.10149	9.5
135.11693	1.8
145.04976	15.6
145.10085	1.5
147.11681	24.0
147.12743	1.6
150.07704	2.1
155.26588	1.1
161.13292	4.5
163.06027	5.8
175.14890	2.7
184.07355	88.0
203.17960	53.3
203.19907	2.4
204.18361	3.4
213.05989	1.2
215.68475	1.1
221.19058	2.0
223.06079	3.1
241.07147	3.7
248.00005	1.3
259.08261	4.8
275.20239	1.4
283.24817	1.1
295.10431	1.7
300.99200	1.2
315.53247	1.2
335.22113	1.5
391.24579	6.1
396.58887	1.3
409.25696	1.6
472.28046	2.5
489.22229	4.0
490.28625	3.8
514.28741	21.7
532.30017	60.6
533.30884	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	532.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	2.2
55.01889	2.2
55.05526	2.8
57.03438	8.4
60.08175	10.3
61.02934	2.3
62.36876	1.6
63.68713	1.8
67.05513	9.3
69.03436	13.2
69.07073	3.7
70.06593	4.2
71.07371	4.2
73.02923	21.9
79.05502	7.5
81.03426	4.1
81.07066	15.7
85.02919	25.9
86.09713	32.3
88.72128	1.8
91.05482	11.0
93.07047	14.1
95.05003	2.5
95.08605	20.1
97.02892	20.8
98.98506	3.8
104.10754	72.4
105.07043	16.7
107.08624	17.3
109.02893	2.6
109.10178	15.7
115.03928	10.9
119.08597	11.1
121.10148	12.0
123.11721	4.4
125.00027	18.8
127.03944	9.0
133.04976	10.7
133.10153	8.6
135.11763	2.7
145.04970	13.2
145.10133	2.6
147.11716	20.9
150.07695	3.1
161.13251	3.4
163.06076	3.3
184.07368	58.0
203.17966	46.8
204.18231	2.7
342.62390	1.8
391.24683	4.9
446.29797	3.4
472.27310	3.7
489.21951	3.3
490.28632	8.9
514.28558	24.8
531.59167	2.4
532.29773	100.0
533.30359	6.4
533.40521	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	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61839	4.9
53.03941	6.5
55.05517	29.1
56.77012	5.3
57.03446	6.9
57.07071	4.5
63.87312	4.5
65.52990	4.4
67.05509	89.4
69.07065	21.6
71.05005	6.1
79.05495	53.4
80.05766	4.6
81.03436	7.4
81.07060	100.0
82.07372	3.8
83.08617	12.9
85.02897	9.4
91.05474	32.4
92.05834	6.8
93.07053	65.4
94.07373	6.5
95.04951	7.6
95.08602	62.4
97.02887	4.9
97.06511	7.7
97.10131	4.8
100.22914	4.8
105.07028	35.5
106.07348	5.5
107.08586	39.2
109.10149	34.6
117.07014	12.1
119.08572	26.7
121.10150	34.7
123.11714	17.4
125.09608	5.9
129.07048	6.4
131.08594	28.3
133.10127	17.8
135.11707	38.3
137.13240	6.8
143.08528	4.3
143.77203	5.0
145.10106	19.9
147.11725	20.5
149.13289	23.1
149.14317	4.4
151.11160	5.2
157.10120	6.9
159.11717	24.1
161.13243	15.4
163.14806	12.0
169.10068	6.0
173.13242	12.9
175.14828	5.7
177.16415	6.8
185.13185	6.3
187.13263	4.7
187.14754	10.3
201.34198	4.3
221.37407	4.8
243.21228	26.3
255.15852	4.9
260.20920	7.4
261.22153	85.4
291.19559	16.4
335.25830	10.8
353.26877	15.2
410.31409	4.7
440.32275	7.1
492.17764	4.3
514.36127	18.0
532.36682	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	533.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50308	0.2
56.96508	1.3
57.51535	0.2
65.83767	0.2
66.98516	0.2
69.03364	0.6
70.06536	0.6
79.01808	0.5
79.05434	0.3
81.03347	0.9
85.02844	0.9
91.05431	0.5
93.06972	0.3
97.02831	0.8
99.04391	0.3
99.36870	0.2
105.06976	0.3
107.04908	0.5
109.02797	0.7
115.05434	0.4
121.06454	0.6
123.04340	0.4
127.03878	0.5
128.06192	0.4
129.06917	0.3
137.05925	0.8
143.03413	0.3
143.08580	0.3
146.05975	0.5
151.03769	0.3
153.01843	8.9
153.02959	0.4
157.06424	0.3
167.07040	1.9
168.07320	0.3
171.02834	0.8
171.07991	1.0
175.07597	1.5
187.07491	0.4
187.10641	0.3
191.06989	0.5
192.84106	0.2
192.98103	0.3
193.08377	0.3
197.01183	0.3
203.08919	0.4
203.10678	2.4
208.09721	0.3
210.99164	0.5
218.07420	0.3
219.10165	0.5
221.09872	0.3
275.02191	0.3
279.01810	0.3
283.81903	0.3
285.00726	0.3
287.02240	0.3
289.08289	0.4
292.88324	0.3
297.05957	0.6
303.01669	1.5
307.09219	0.3
321.02756	0.8
331.01193	1.0
339.11984	0.3
340.99536	6.7
342.00153	0.4
349.02087	0.6
353.13568	0.6
359.00705	10.3
360.00974	0.6
371.10812	0.5
377.01801	100.0
378.02167	5.3
379.02548	0.3
382.02374	0.6
395.02866	44.5
396.03351	2.3
397.03406	0.5
400.03436	3.9
401.02423	0.3
403.03430	1.1
406.08093	0.3
418.04559	0.7
419.03091	0.5
421.04291	0.5
425.01675	0.5
431.03241	0.4
443.02859	6.6
455.03198	0.3
461.03802	2.2
473.03860	1.0
491.05014	3.6
501.16531	0.5
509.06012	1.4
533.18756	1.4
550.80151	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	533.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88477	0.3
53.00299	0.3
55.01873	1.0
57.03436	0.9
61.02934	0.7
65.61491	0.2
69.03430	36.7
69.08357	0.6
69.08762	1.6
70.03757	0.3
70.87197	0.2
71.01357	0.5
78.62843	0.3
81.07054	0.3
85.02905	11.5
85.17359	0.3
93.07037	0.3
97.02891	100.0
98.03223	1.8
115.03928	5.5
127.03922	2.9
139.03935	0.3
157.04965	24.1
175.05995	1.0
201.01823	0.5
217.05052	0.2
217.07030	4.4
218.02080	0.4
229.01202	0.3
231.70552	0.3
238.90097	0.3
243.02785	0.6
246.01573	0.8
248.85448	0.3
257.00754	2.8
258.01471	0.4
271.02316	0.7
285.00232	1.7
286.00919	0.3
299.01788	0.4
302.00543	5.9
313.19980	0.3
317.02902	19.0
318.03055	1.1
404.95700	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	533.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05505	1.8
57.03442	12.0
62.33735	1.1
67.05503	5.2
68.99780	1.9
69.03433	38.4
69.07070	2.2
69.37884	5.6
79.05499	4.4
81.03418	15.5
81.07065	4.6
83.04988	4.0
85.02914	16.9
86.09717	1.2
91.05500	3.3
93.07063	3.9
95.04979	3.3
95.08598	3.6
97.02897	100.0
98.03261	2.1
105.07053	4.4
107.04939	2.3
107.08648	1.3
109.10129	1.4
111.00820	3.6
111.04466	2.0
115.03967	2.6
117.06984	1.7
119.08621	1.3
121.02933	1.9
121.06515	2.1
121.10165	2.8
127.03923	3.2
129.07101	1.5
133.06520	1.9
137.02345	5.8
137.05965	1.6
141.05464	4.8
145.10219	1.8
149.09514	1.1
153.01837	4.8
157.04965	11.3
165.01923	2.3
171.06517	19.1
183.02911	1.9
184.07332	1.6
191.10727	1.4
201.05484	2.3
211.09595	1.4
229.05025	3.7
231.08620	5.4
245.18761	1.1
257.04468	2.7
274.04889	1.2
303.04996	97.6
304.05389	4.5
315.04926	3.3
334.66873	1.2
381.06006	2.7
399.07108	1.8
447.41074	1.2
461.26410	1.5
461.32547	3.4
508.44339	1.2
533.18073	1.5
533.23932	1.8
535.03052	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	533.1995
Annotation	Kadsuralignan B
Peak:m/z	Relative Intensity
51.10792	0.4
56.86485	0.4
63.23525	0.4
69.61541	0.4
70.06567	0.4
70.56633	0.8
77.60917	0.4
79.62010	0.4
82.00327	0.6
87.77312	0.4
91.48302	0.4
95.01097	1.5
95.08730	0.5
96.50372	0.3
101.60751	0.4
102.10071	0.4
105.07099	0.5
106.97946	0.4
109.75218	0.4
109.76069	0.3
113.02137	1.3
118.22752	0.4
122.21499	0.4
127.03702	1.1
137.02147	0.7
151.03860	0.6
153.01869	0.8
155.03163	5.3
159.04306	0.5
167.07027	0.6
171.02663	1.2
189.05264	1.0
204.07620	5.5
234.86176	0.4
264.02811	0.4
335.11157	0.9
351.10123	0.5
371.09631	0.9
401.15817	1.0
533.19965	100.0
534.20270	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01569	0.2
69.25009	0.5
69.25426	0.9
74.43549	0.2
74.46924	0.2
85.02917	0.5
97.02879	0.6
98.12491	0.2
98.23383	0.5
105.07019	0.3
113.12497	0.2
141.05182	0.3
156.44167	0.3
162.02844	1.3
162.05498	0.5
163.05873	0.3
169.04745	2.4
184.07378	0.2
198.30489	0.2
249.11026	1.9
273.61902	0.2
291.12006	0.5
293.92792	0.3
294.04297	0.3
377.15686	0.7
393.15195	3.4
418.04269	0.3
465.64496	0.3
489.20905	0.9
533.19946	100.0
534.20270	8.4
534.27032	0.2
556.16339	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	533.2
Annotation	Kadsuralignan B
Peak:m/z	Relative Intensity
69.03432	1.3
69.12453	1.2
69.77678	0.2
85.02911	0.6
95.19997	0.2
96.01902	0.5
96.55807	0.2
97.02283	0.3
97.02900	3.4
101.23592	0.1
107.72021	0.1
115.03932	0.3
157.04991	0.9
162.02881	1.5
169.04764	1.7
184.54994	0.2
204.11276	0.2
211.94704	0.2
249.11005	1.7
291.12167	0.5
302.00699	0.2
317.02823	0.8
321.13153	0.3
351.14066	0.3
377.15778	0.7
393.15228	3.1
393.98468	0.2
533.19958	100.0
534.20306	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	534.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50264	3.6
53.91931	3.2
54.45914	3.5
55.53307	3.5
69.03426	25.0
69.07054	4.7
71.28483	5.3
81.07033	6.1
84.04534	3.7
85.02910	52.2
93.07065	4.4
97.02887	100.0
97.03511	5.9
105.07031	4.5
107.08608	7.1
115.03944	9.5
121.06510	5.6
127.03920	14.7
143.35997	4.0
157.04976	24.9
217.07051	30.3
273.03937	10.0
301.03351	12.6
372.10727	5.8
476.19873	4.4
515.87323	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	534.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44188	0.5
55.01864	1.2
57.07070	2.2
59.05001	2.1
67.05490	1.5
69.03424	1.8
69.07059	3.5
70.02956	2.1
71.30604	0.7
72.04217	0.6
72.04526	7.3
73.02913	1.9
74.02466	0.8
74.55860	0.7
79.01852	1.8
81.03416	3.8
83.04993	0.9
85.02917	1.4
85.06562	4.6
86.09701	1.4
87.08093	1.1
90.05559	51.8
95.04974	3.0
96.08128	1.3
97.02895	3.1
98.02420	7.9
100.03975	1.3
103.07571	3.3
109.02882	3.0
113.05990	2.0
116.03466	9.0
121.06481	1.3
123.04484	0.7
124.07600	8.6
125.02377	1.9
127.03944	3.9
137.05978	1.2
142.08665	4.6
143.03389	1.9
145.02838	2.1
153.01831	34.5
153.02884	1.5
156.10349	0.7
160.09688	1.5
166.08650	1.3
171.02899	3.7
174.11287	1.9
177.05478	2.7
184.09714	11.8
202.10738	22.3
203.11116	1.1
217.12161	0.7
220.11807	100.0
221.12117	2.8
242.66490	0.7
244.05109	0.6
270.26364	0.6
297.06104	1.8
300.20203	0.7
315.07065	2.1
328.14044	1.2
464.56790	0.9
534.12305	1.4
535.14362	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	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87818	0.3
55.05505	0.5
56.05035	1.4
58.06577	1.3
59.07381	0.4
60.08167	16.4
67.05508	1.7
69.07105	0.4
71.07375	6.9
71.08614	0.6
71.13694	0.3
79.05501	1.6
79.24874	0.3
79.62590	0.3
80.00603	0.3
81.07047	1.8
83.05000	0.3
86.09710	51.3
87.10034	0.8
91.05475	1.0
93.07047	1.3
95.04994	0.6
95.08602	0.8
98.23360	0.7
98.98478	4.8
99.08082	0.3
104.10748	91.3
105.07021	0.3
105.10470	0.3
105.11079	1.2
107.04922	0.3
107.08607	0.4
109.10119	0.6
119.08551	0.5
121.10136	0.5
125.00009	29.4
126.84318	0.3
133.10091	0.3
135.11681	0.3
143.01053	0.4
151.11156	0.4
163.01630	0.5
171.11629	0.3
179.14293	0.6
184.07350	100.0
185.07672	1.5
229.30714	0.3
258.11008	0.9
351.25339	0.7
516.30847	5.0
534.31952	24.8
535.31384	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37797	0.1
55.05520	0.2
56.05043	0.8
56.05281	0.1
57.03428	0.3
57.73762	0.1
58.06630	0.5
59.07380	0.2
60.08167	7.1
67.05499	0.5
67.98394	0.1
69.03429	0.2
69.07062	0.4
69.21118	1.0
70.06594	0.2
71.07381	3.6
71.08620	0.1
73.02907	0.3
73.21873	0.1
77.27470	0.1
79.05480	0.5
81.07053	1.3
85.02918	0.3
86.09708	34.7
87.09525	0.1
87.10036	0.6
87.99158	0.1
91.05480	0.5
93.07024	0.7
95.04980	0.2
95.08614	0.7
97.02876	0.2
98.22630	0.3
98.98467	3.5
104.10747	7.6
105.07042	0.2
106.69054	0.1
107.08620	0.4
109.10149	0.3
115.03918	0.2
119.08585	0.2
121.10155	0.8
123.11689	0.2
125.00007	23.6
135.11641	0.2
143.01089	0.2
149.13249	0.4
184.07344	100.0
185.07713	1.2
206.18187	0.1
258.11057	0.3
258.31842	0.1
321.38824	0.1
337.07590	0.1
381.58441	0.2
516.30939	1.0
534.32257	3.4
535.27625	0.2
549.23877	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.7
58.06602	0.4
59.07380	0.2
60.08167	6.4
64.15246	0.1
67.05513	0.6
69.05533	0.4
69.05942	0.9
70.06569	0.2
71.07386	2.9
75.04667	0.2
79.05497	0.4
81.07050	0.7
83.39011	0.2
86.09711	30.9
86.91536	0.2
87.10044	0.5
91.05489	0.5
91.66376	0.2
93.07047	0.5
95.04942	0.2
95.08662	0.3
98.22642	0.4
98.98467	3.4
104.10753	3.9
105.07047	0.6
107.08578	0.4
109.10182	0.2
109.30233	0.2
119.08592	0.4
121.10126	0.3
125.00011	21.4
139.89711	0.2
143.01093	0.4
163.05824	0.2
184.07350	100.0
185.07744	1.7
255.59114	0.2
258.10953	0.3
315.18121	0.2
379.93173	0.2
408.34851	0.2
498.29419	0.6
516.30798	3.2
517.31042	0.2
534.30023	0.5
535.28674	0.6
545.59821	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39409	0.8
55.05516	1.2
56.05040	1.5
56.79900	0.7
58.06614	2.1
60.08170	15.6
66.36826	0.7
67.05517	3.5
69.07076	1.5
71.07369	7.3
71.29281	1.0
79.05497	2.5
81.03413	1.3
81.07051	2.7
86.09709	54.5
91.05485	2.7
93.07074	2.7
95.08631	2.6
98.98466	4.9
104.10748	94.4
105.07050	2.3
105.11082	1.2
107.08621	0.9
109.10182	1.0
117.07034	0.8
119.08585	0.9
125.00008	29.0
131.44803	0.8
145.10187	0.9
163.01582	1.0
172.98538	0.8
184.07352	100.0
185.07721	1.6
218.49483	0.8
222.69655	0.7
237.88222	0.8
251.12561	1.3
258.11124	1.8
335.81061	0.8
498.29868	6.1
516.30847	26.9
517.30981	2.3
535.28711	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	27.8
57.07072	8.8
57.13301	4.9
61.02932	6.5
67.05503	99.3
67.41179	5.1
68.70821	5.1
69.07059	27.9
70.07812	5.1
71.07373	5.3
79.05481	25.0
81.07056	100.0
83.08608	22.1
85.02857	5.2
85.06542	7.1
85.10168	9.3
86.09698	14.5
90.41007	5.5
91.05468	21.1
93.07037	34.9
95.08604	62.3
97.06525	8.8
97.10127	10.8
98.23549	9.8
104.10746	46.6
105.07004	16.1
107.08584	24.6
109.10155	39.9
119.08575	22.9
121.10132	19.4
123.11689	19.4
125.00039	11.4
131.08591	6.5
133.10158	19.7
135.11707	14.5
137.13278	9.1
147.11678	12.4
149.13254	12.0
151.14915	9.3
155.43033	6.1
161.13258	19.1
163.14845	11.5
165.16441	8.3
175.14792	10.4
179.17805	7.1
184.07397	25.9
189.16406	8.7
245.22662	56.0
263.23700	79.2
281.70389	5.8
337.27393	54.9
355.28766	5.5
431.68262	5.6
534.36084	8.3
535.36017	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	29.8
57.07069	16.8
61.81462	9.1
67.05501	88.7
69.07075	31.5
69.13038	36.4
69.13458	27.0
79.05486	26.2
81.07055	100.0
83.08615	19.9
86.09703	22.3
91.05477	28.6
93.07066	41.6
94.93734	9.2
95.08611	69.8
97.10163	12.9
98.22630	19.6
100.21320	9.2
104.10724	46.1
105.06992	13.4
107.08656	19.9
109.10168	39.1
119.08567	13.9
121.10149	24.2
123.11732	18.6
125.00021	13.5
126.65666	8.2
133.10147	20.2
135.11681	9.2
137.13332	9.6
139.63525	8.0
149.13290	14.4
161.13345	12.4
165.16380	20.6
184.07397	42.6
191.65779	8.8
195.00348	13.2
195.10072	9.1
197.00685	19.5
245.22705	48.2
251.12575	8.6
263.23691	75.5
337.27417	23.3
379.21063	10.5
463.26572	69.7
534.34875	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03942	1.1
55.01865	0.3
55.05512	7.9
56.05041	5.1
57.07073	3.7
58.06598	0.6
60.04523	4.3
65.03930	0.8
67.04237	0.5
67.05505	15.2
68.05028	1.6
69.07068	9.4
69.40805	0.2
70.06596	1.9
71.08630	2.1
71.57457	0.2
72.04504	0.5
76.03973	0.3
77.03877	0.2
79.05494	12.5
80.05019	4.0
80.05772	0.2
81.03426	0.3
81.05795	2.0
81.07055	13.5
82.06576	8.3
82.07336	0.4
83.04974	0.4
83.08145	0.4
83.08618	6.3
84.08135	0.6
85.06511	0.2
85.10163	0.8
86.06084	0.4
91.05479	12.3
93.05782	0.7
93.07043	11.4
94.06567	20.3
95.04977	1.3
95.07352	10.2
95.08604	9.9
95.09072	0.2
95.09233	0.3
96.08134	5.7
96.08801	0.4
97.06527	0.6
97.10164	3.3
98.06046	0.8
100.07627	0.5
103.05492	0.3
105.04508	0.6
105.07030	6.8
106.06561	0.5
106.07288	0.2
107.07380	0.4
107.08593	6.4
108.07412	0.3
108.08115	3.9
109.10154	4.1
110.09656	0.4
111.08094	0.2
111.11713	1.0
114.09180	0.4
117.07001	0.4
118.84007	0.2
119.08583	6.4
120.08092	0.4
121.08823	0.6
121.10141	6.0
122.09665	2.9
123.07984	0.3
123.11697	1.7
124.11228	0.6
131.08562	0.3
133.10124	3.9
134.09645	0.3
134.72913	0.2
135.10440	0.7
135.11682	3.5
136.11240	0.8
137.13249	0.6
147.11670	1.7
149.13272	1.3
151.14850	0.7
151.83426	0.2
161.13286	0.9
163.14813	0.5
165.16389	0.2
175.14803	0.4
177.16318	0.2
182.19009	0.3
189.16466	0.2
191.17903	0.7
193.19447	0.4
196.20644	0.2
205.19608	0.3
207.21165	0.2
209.19066	0.2
219.21072	0.8
220.20584	0.3
233.22643	4.4
234.22325	0.5
237.89378	0.2
239.47757	0.2
245.22647	3.9
250.25296	11.0
251.25569	0.5
254.24863	0.9
260.23715	0.4
262.25290	100.0
263.25781	3.9
272.25824	4.4
273.26263	0.2
280.26337	10.5
281.26648	0.4
284.25732	0.3
310.27438	0.3
312.25455	0.2
380.97583	0.2
504.47830	2.2
516.47736	6.1
517.47943	0.5
534.42511	0.3
534.48822	4.1
535.48889	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	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
68.99783	1.7
69.03437	36.8
69.62843	3.2
69.63232	3.5
81.04142	1.4
85.02920	10.9
91.05807	3.0
97.02902	100.0
98.23260	2.1
109.02836	1.4
111.00803	2.6
115.03933	2.7
117.21322	1.3
127.03965	2.9
137.02393	1.7
153.01833	11.7
157.04971	27.4
165.01791	3.1
167.05627	2.9
177.05441	1.4
183.25894	1.3
187.11493	1.5
189.05493	2.0
201.83348	1.3
207.02841	1.5
217.04999	3.6
217.07100	6.0
235.22322	1.3
244.03705	1.5
245.04424	6.6
271.02283	1.6
273.04001	3.0
284.06799	1.4
299.06238	5.0
319.04504	85.8
320.04794	3.3
329.03067	3.2
331.04422	3.5
397.05472	3.9
415.06693	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	535.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68091	1.2
69.03434	36.5
71.29743	1.4
73.04762	2.7
76.02232	2.9
81.07044	2.4
85.02907	9.6
91.05840	7.0
93.06456	1.3
93.07037	2.4
97.02897	100.0
98.03236	1.8
105.07007	1.6
107.08620	2.2
114.09174	1.3
115.03961	4.5
127.03912	3.4
128.78870	1.5
137.02396	4.3
153.01834	10.6
157.04970	30.4
165.01840	5.2
167.05560	9.8
179.03444	1.9
195.02861	2.5
203.03418	1.4
207.02902	2.8
217.05165	2.1
217.07149	5.1
225.04335	2.4
240.75526	1.2
245.04567	4.1
266.99783	2.2
273.04004	7.3
283.02948	2.4
285.62161	1.3
299.06213	13.8
301.03369	2.0
319.04480	98.4
320.04880	5.0
344.97690	3.8
397.05533	1.8
407.68643	1.5
415.03528	2.3
431.18954	23.0
445.81326	1.6
460.85703	1.7
535.17560	5.3
535.24298	5.0
535.30249	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	535.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36551	1.2
53.03948	2.5
55.01871	4.1
65.03939	3.4
69.03432	1.8
71.30132	1.9
73.04762	3.1
77.03926	4.2
79.05465	1.4
81.03415	2.4
81.07047	1.2
88.51672	1.0
89.03929	4.3
91.05465	5.6
91.05907	1.9
93.03393	1.6
93.07029	1.5
94.04194	4.2
95.04980	4.1
103.05470	5.0
105.03398	6.9
105.07079	1.1
107.04962	2.6
109.06503	1.2
110.03639	2.1
111.04472	1.7
115.05468	2.5
117.03392	4.7
117.07049	1.6
119.04940	1.5
121.06506	4.6
122.03608	5.4
123.04426	2.4
125.05995	4.6
131.04936	4.3
132.05711	1.4
133.02858	100.0
134.03328	1.7
135.04449	3.0
137.05980	24.0
145.01884	1.3
145.02858	7.5
145.06514	2.5
147.04419	3.0
149.02431	1.7
149.04614	1.5
149.05978	7.4
151.03888	2.8
151.07510	6.1
153.05516	11.9
161.05975	5.0
162.03130	2.5
163.07594	1.9
165.05507	15.4
165.06900	2.1
167.05582	5.7
167.07051	16.6
173.05931	2.5
174.06709	1.4
175.07523	7.9
177.05492	14.7
177.06935	1.5
178.07726	2.0
179.07028	2.6
179.08556	2.0
181.05031	2.2
181.06526	2.6
185.05960	1.7
187.07475	2.0
189.07031	2.5
189.41757	1.3
190.07739	1.1
191.07050	2.2
191.08640	1.4
193.04997	1.3
193.86841	1.2
194.07310	1.5
195.06508	1.7
195.08110	2.1
201.05479	2.2
203.06995	4.3
204.05734	1.2
205.04909	19.1
205.06577	3.3
206.07269	2.7
207.08087	3.4
209.06030	1.6
211.07365	1.5
215.07079	3.2
218.07315	4.2
219.07990	4.0
220.05124	1.4
220.09059	1.4
221.05995	4.7
221.09647	1.5
222.06837	2.6
223.07513	3.9
224.08240	1.7
227.07002	1.4
233.05956	4.3
234.06653	4.8
235.07535	7.8
236.08382	3.2
237.05510	1.6
237.09149	2.3
239.07021	2.2
245.06035	2.0
246.06914	2.0
247.07491	4.3
248.08311	3.7
249.05582	3.0
249.09077	4.8
250.06444	1.1
251.06990	5.0
252.07813	3.7
253.08533	1.7
255.10135	1.6
258.06735	1.5
259.07468	1.1
260.08340	3.0
261.05402	1.9
261.09103	3.4
262.06192	2.2
262.09753	1.3
263.07071	6.4
263.10910	1.4
264.07813	4.7
265.08673	4.4
267.00049	1.7
267.10074	3.3
269.07895	1.4
271.07422	2.2
273.09076	1.4
275.07010	2.4
276.07822	4.2
277.05981	1.2
277.08603	8.0
278.09262	3.3
279.06528	2.8
279.10114	3.3
281.05273	1.9
281.08020	7.1
283.09534	2.1
287.07095	1.8
288.07773	2.8
289.08618	3.5
290.05850	1.2
290.09134	1.9
291.06787	2.4
291.10156	10.5
292.07343	2.6
292.10706	2.2
293.08136	4.1
293.11398	2.1
294.08704	3.2
295.09619	5.0
297.07651	1.6
297.11038	1.9
299.06149	13.3
303.10114	11.3
304.07428	2.1
304.10895	1.8
305.08109	7.0
306.08612	2.6
307.09491	5.5
308.10477	2.7
309.07605	3.3
309.11270	5.0
311.09201	2.7
319.09644	5.4
320.10303	2.2
321.11453	6.2
322.11856	4.8
323.09094	13.6
323.12747	3.6
324.09833	2.5
325.10648	3.3
327.12274	3.1
328.59329	1.4
333.11441	1.7
334.08517	1.8
334.12042	16.0
335.09152	3.2
335.12738	13.2
336.09891	1.7
337.10730	9.2
339.12512	2.5
341.13849	2.0
344.97601	2.8
349.10751	2.8
352.09503	1.7
352.13126	15.7
353.13956	8.2
355.11771	42.5
356.12064	3.1
367.11728	16.1
368.12009	1.9
373.19977	2.2
415.03391	2.6
440.30017	1.4
487.17508	3.8
499.17520	12.0
500.17706	1.4
505.18741	2.6
517.17908	1.6
535.20160	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	535.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05513	3.9
58.95420	1.9
67.05507	14.7
69.07045	2.8
73.04766	3.2
79.01622	5.2
79.05485	4.9
80.22216	2.2
81.07042	9.0
83.08652	2.8
91.05800	7.3
92.60635	2.3
93.07031	5.9
95.08602	6.6
98.22547	3.9
105.07017	2.9
107.08607	4.3
109.10161	11.9
109.10805	2.2
116.99339	2.2
134.31961	2.3
138.02847	3.7
139.03627	3.0
167.05600	10.3
195.09970	8.9
209.11583	2.5
211.05699	2.4
223.13185	5.9
226.25395	2.4
229.14331	2.4
235.13008	10.1
251.12540	10.2
263.16284	3.2
267.00061	3.8
267.12317	2.8
269.17911	2.3
283.03122	3.8
291.15536	4.3
294.61411	2.0
299.06229	18.7
322.17657	3.6
323.14670	8.9
337.16183	3.4
344.97794	2.6
379.21066	3.5
405.26080	4.6
433.25836	2.9
434.26285	5.8
463.26660	100.0
464.27026	5.6
474.50763	2.2
489.28180	6.6
535.28662	16.6
535.35760	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	535.288
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
51.90431	0.4
55.05508	0.5
57.03443	0.9
60.04881	0.4
67.05499	2.4
70.27767	0.4
73.04758	1.9
79.05504	1.6
81.03439	1.8
81.07069	1.9
82.74906	0.4
83.05008	0.6
83.08641	0.6
85.02913	1.8
86.09698	3.9
91.05839	2.1
93.07066	1.5
95.04987	1.3
95.08649	1.0
98.22576	1.3
98.98446	0.6
104.10745	0.8
105.07046	1.9
107.08586	0.6
109.10165	0.6
114.22360	0.4
119.08607	1.1
121.10163	0.9
125.00002	2.7
131.08516	0.7
133.10141	0.9
136.58858	0.4
147.11707	1.0
157.10130	0.6
167.02307	0.6
167.05550	3.4
184.07367	9.8
184.08957	0.7
184.42874	0.5
185.07715	2.6
188.19604	0.5
193.12338	0.8
225.04333	0.7
244.53630	0.5
251.12558	9.5
266.99960	0.5
283.03015	1.1
285.16821	0.6
299.06204	7.6
307.15143	6.8
340.71951	0.5
344.97623	1.0
349.99875	0.5
392.78180	0.5
415.03647	1.5
535.28796	100.0
536.28998	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	535.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.03436	0.6
60.98230	0.5
67.05511	3.8
68.61342	0.5
69.07063	0.9
71.04996	2.0
73.04763	1.5
79.05508	1.8
81.07049	4.5
83.04966	0.7
86.09711	1.3
91.05411	0.7
91.05820	1.6
93.07053	2.8
95.08620	0.9
107.08598	1.0
109.10168	1.1
109.33393	0.5
114.29626	0.6
115.78472	0.5
117.53525	0.5
121.10201	1.2
122.12132	0.5
125.00027	1.0
130.65352	0.6
133.10132	1.6
133.17195	0.5
149.13258	1.1
151.11270	0.6
160.14642	0.5
167.05537	3.0
184.07387	3.9
194.75186	0.6
225.04276	0.7
229.47429	0.6
235.13054	4.1
267.00006	1.1
267.15665	8.1
269.17453	0.7
283.03098	1.0
291.15646	4.3
299.06183	5.1
323.14890	1.0
323.18384	4.6
344.97742	1.3
415.03641	1.2
463.26721	5.2
535.32434	100.0
536.32776	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	535.327
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
53.03949	5.1
54.81449	2.9
55.01893	4.0
55.05506	5.3
60.65234	2.8
64.48260	2.5
67.05502	30.7
68.99776	3.4
69.03427	6.9
69.07053	6.9
70.04063	9.2
71.04983	3.5
73.04759	12.4
73.61017	2.8
76.41710	2.6
79.05492	32.7
81.03412	28.3
81.07069	32.4
83.04988	5.6
83.08635	4.2
85.02895	3.8
86.09707	7.8
91.05386	21.6
91.05894	4.8
93.07040	19.6
95.04969	32.0
95.08595	20.6
97.06552	5.3
104.10778	6.5
105.07043	16.1
107.04973	10.0
107.08588	7.2
109.06522	8.1
109.10152	6.2
111.00758	3.2
111.04439	6.5
111.08070	5.7
117.07041	6.8
119.08578	12.8
121.02888	7.4
121.06485	4.6
121.10137	12.7
123.04440	7.1
123.08091	6.1
124.99972	3.8
125.49574	3.5
127.03921	4.4
129.07036	4.3
131.08559	9.7
133.06442	3.4
133.10106	10.1
135.04407	2.8
135.11661	7.6
137.05994	3.2
139.03900	45.6
144.72278	2.7
145.10110	7.7
147.08017	7.7
147.11687	4.8
149.05963	3.6
151.03874	7.0
153.05374	4.5
154.75822	3.1
163.03967	5.1
165.05484	10.0
167.03395	8.8
167.05522	22.9
171.08008	3.6
171.11726	4.3
175.03896	8.0
184.07388	20.6
189.05476	3.8
189.09100	6.0
193.05061	4.6
203.07095	3.6
239.09398	3.4
243.10202	5.5
251.12405	6.6
266.99866	8.4
283.03091	7.2
299.06171	51.2
317.21222	3.4
344.97623	10.6
359.03006	4.1
395.21957	4.5
415.03607	10.3
445.27261	7.7
463.28400	48.4
464.28653	3.9
481.29486	66.6
482.29669	6.3
499.30487	100.0
500.30524	6.0
517.31537	6.7
535.21326	4.1
535.28772	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01875	2.5
57.03424	1.3
61.85765	0.8
67.01878	1.2
69.03438	9.0
71.04991	3.2
71.09940	1.2
73.02916	1.1
81.03422	7.5
85.02916	5.2
97.02885	3.9
99.04448	3.4
101.02415	1.4
109.02886	5.9
119.04935	2.0
121.06522	2.6
127.03919	7.9
136.25710	0.9
147.04437	5.0
163.03915	2.9
165.01869	3.7
167.05591	1.3
175.03972	2.3
177.01912	1.1
179.03404	1.3
181.01346	3.6
191.03389	13.6
192.00584	1.2
193.01364	7.3
193.04979	1.9
203.03363	12.9
205.01395	2.5
207.02939	1.3
215.03484	1.4
219.02895	21.3
221.00821	43.4
221.04434	3.1
222.01125	1.6
223.02325	1.3
229.31563	1.1
231.02849	6.7
233.00850	3.9
237.04033	1.3
239.01851	11.3
247.02390	20.5
249.03963	2.9
257.00873	1.8
259.02417	4.3
265.03470	5.2
268.79428	1.0
275.01874	27.0
276.02310	1.5
277.03455	6.7
285.00189	1.1
293.02890	9.7
299.06116	3.8
303.01416	5.4
311.03967	1.8
321.02393	6.1
328.60226	1.2
339.03445	8.6
357.04456	2.8
365.05237	1.2
437.07214	1.5
465.06726	4.7
473.05377	1.0
483.07782	20.2
484.07947	2.9
501.08777	100.0
502.09085	7.9
558.87152	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	536.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.8
57.07064	1.5
61.02907	1.9
62.71496	0.8
69.03428	3.4
70.06586	1.2
71.29892	1.0
73.04746	4.7
74.06091	1.0
74.09715	5.2
81.03422	1.4
84.08122	0.7
85.02908	13.8
89.03918	5.8
91.05822	5.4
95.19576	0.7
97.02906	4.4
109.02863	2.4
113.02235	0.7
117.03385	18.8
120.08109	1.1
124.80888	0.7
125.02347	1.6
126.52735	0.9
127.03898	2.9
129.10161	0.8
134.03632	1.9
135.04425	2.1
135.08090	0.8
145.02849	45.9
145.04947	4.4
146.03233	1.1
149.04556	1.9
149.05975	7.1
150.06232	0.8
153.01836	6.4
153.05457	0.8
157.12781	0.6
162.02994	0.8
163.03893	3.2
163.06035	1.7
167.05556	7.7
177.05472	100.0
178.05826	2.9
180.08739	0.8
195.06538	57.5
196.06857	1.4
225.04242	2.0
239.09491	2.1
259.42743	0.7
283.03073	2.3
299.06155	14.9
299.09372	1.2
344.97754	3.1
359.02887	1.5
380.47946	0.7
386.93607	0.8
415.03589	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	536.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01876	3.4
55.05506	6.2
57.98816	1.5
58.99590	13.6
67.05522	6.4
69.03446	1.7
71.05003	1.8
73.04770	10.4
74.00678	3.1
74.06080	1.4
75.00610	1.4
76.02234	81.3
76.04005	6.2
79.05495	6.2
80.05024	3.2
81.03423	20.3
81.07074	7.6
83.04991	8.2
83.06101	2.1
83.08628	9.3
84.04509	25.7
85.04021	7.8
86.99068	4.0
91.05379	4.0
91.05797	12.8
92.01716	2.0
93.07056	4.5
94.06541	1.5
95.04964	8.0
95.08593	3.5
97.01125	2.9
97.02895	2.5
97.10130	1.7
105.07024	7.3
107.08604	3.5
108.04340	1.6
109.07717	1.5
111.08080	3.2
112.02206	2.4
113.03500	3.3
116.01685	21.7
119.08589	5.9
121.06530	7.8
121.10131	3.3
122.06847	2.5
129.07008	1.8
130.05006	21.7
131.04524	5.0
131.08568	3.1
133.10092	3.7
142.03227	8.7
144.01146	11.4
145.06073	5.2
147.11696	4.6
149.04460	3.8
149.09669	2.0
155.08154	1.6
157.10120	3.0
162.02216	41.6
162.03590	2.5
167.05556	17.9
170.02710	2.0
175.11169	3.6
177.03317	23.0
179.04868	100.0
180.05161	1.7
181.06075	3.3
185.03773	3.4
193.12273	19.4
206.04552	1.6
207.04858	1.7
211.13303	36.5
211.15213	2.8
212.13602	1.5
215.04877	1.7
220.17081	2.0
225.04301	3.3
233.05914	23.1
239.09471	3.0
245.05901	4.5
250.12668	2.7
267.00031	4.2
268.13699	3.8
283.03134	6.6
286.14609	3.1
288.06522	1.9
291.06409	2.8
299.06168	37.3
300.06232	3.2
302.29987	1.5
306.07578	2.3
308.09128	78.9
309.09296	2.2
322.16440	1.9
344.97763	7.5
359.02667	3.6
371.16223	5.8
374.19647	1.6
415.03601	4.6
500.20462	1.5
503.10812	2.2
518.21588	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	536.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90505	1.5
52.84877	1.6
55.05514	4.9
57.03445	2.2
58.99590	15.9
67.05517	7.6
69.03449	2.6
69.07075	2.6
70.84185	2.0
70.84529	2.2
73.04763	7.2
76.02234	100.0
76.04005	4.4
79.05508	5.2
81.03425	20.9
81.07065	7.1
83.04984	5.7
83.08629	5.1
84.04509	21.3
86.99044	4.2
88.02206	1.5
91.05392	3.2
91.05836	5.7
93.07062	2.8
95.04970	9.6
95.08620	2.9
97.10185	1.9
97.73824	1.7
105.07058	7.3
111.08072	3.4
116.01688	21.9
119.08598	4.7
121.10153	3.7
129.98824	1.7
130.05022	13.2
131.08623	2.0
133.10149	4.2
142.03230	9.5
144.01125	12.0
149.04466	2.7
149.09647	1.7
157.10159	3.9
162.02208	41.5
167.05559	12.9
170.02773	2.3
175.11186	5.1
177.03249	2.2
179.04866	83.5
193.12260	13.9
211.13295	31.7
212.13779	2.3
215.04729	1.8
219.38689	1.5
225.04286	2.5
233.05962	21.8
239.09462	1.9
245.05972	4.5
266.99982	2.1
291.06720	2.9
299.06241	21.6
303.05124	5.2
308.09109	82.6
309.09512	2.5
344.97653	6.1
415.03741	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	1.6
58.65331	1.2
60.08167	10.6
63.11751	1.1
65.94207	1.1
67.05510	2.0
69.07072	1.8
69.79532	4.4
71.07371	3.5
73.04768	11.6
79.05476	1.7
81.07054	2.1
81.27027	1.1
86.09711	37.5
91.05296	2.2
91.05806	23.3
93.07068	1.2
98.98484	3.3
104.10752	42.7
105.45626	1.3
105.76704	1.3
107.08591	1.4
111.89072	1.3
114.07375	1.6
125.00018	27.0
149.04510	5.3
167.05568	25.2
184.07356	100.0
185.07756	3.5
186.07961	1.7
225.04332	4.4
239.09503	3.9
266.99945	5.2
281.05112	2.4
283.03006	6.4
298.33032	1.5
299.06192	40.4
300.06250	4.7
344.97748	8.7
345.98099	1.4
359.02878	2.9
381.00027	1.2
396.62662	1.5
415.03506	6.2
500.31525	3.0
503.10892	2.1
518.32489	16.0
536.29059	4.3
537.30463	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	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.5
58.06611	0.5
59.62918	0.2
60.08169	6.1
67.05497	0.7
70.33412	0.5
71.07384	2.6
73.04761	1.0
76.44413	0.2
79.05500	0.4
81.07087	0.5
86.09710	30.2
87.10052	0.3
91.05823	1.2
92.38481	0.2
93.07061	0.3
95.08585	0.5
98.98456	3.1
104.10744	3.4
105.07094	0.2
107.08599	0.2
109.10220	0.2
121.10117	0.3
125.00008	20.0
149.04552	0.4
167.05573	1.7
177.27180	0.2
184.07350	100.0
185.07735	1.1
225.04295	0.3
234.73502	0.2
239.09624	0.3
242.94940	0.2
258.10986	0.5
266.99994	0.6
283.03070	0.4
299.06146	3.4
300.06406	0.3
311.05576	0.2
344.97638	0.6
359.02835	0.3
415.03442	0.5
500.31183	0.7
518.32379	3.6
519.32715	0.4
536.28455	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	536.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
57.07083	7.0
67.05482	0.7
69.03442	0.3
69.07056	0.6
73.04771	1.8
77.32428	0.3
77.32860	0.3
79.05474	0.9
79.56493	0.3
81.07063	0.8
83.04993	0.3
83.08597	0.5
91.05466	24.5
93.07056	2.1
95.08611	0.4
97.06524	0.7
105.07036	10.5
106.06559	1.0
107.04961	0.7
107.08613	2.4
109.10139	0.4
115.05387	0.4
117.07021	0.6
119.08588	15.1
119.09451	0.7
121.06534	3.5
121.10149	27.8
122.10484	0.6
126.09418	0.3
129.07011	0.7
131.08531	0.8
133.06464	1.3
133.10138	14.1
134.10426	0.5
135.07928	0.4
142.07785	1.4
145.06438	0.7
145.10175	1.6
147.08073	1.8
147.11699	22.3
148.12007	0.6
149.04434	0.4
149.09581	0.4
151.11145	1.0
156.72519	0.3
157.10132	1.7
160.08852	1.5
163.11201	1.5
166.58522	0.3
167.05573	2.6
175.11194	16.4
177.12732	0.7
181.10098	1.6
181.30472	0.4
192.84886	0.3
193.87799	0.3
198.12798	23.7
199.13057	1.0
220.76317	0.4
225.04245	0.8
239.09352	0.4
265.15976	0.4
266.99991	0.5
283.03046	1.0
283.16934	100.0
284.17236	4.6
299.06180	5.0
300.06131	0.4
339.23199	55.8
340.23523	3.7
344.97638	0.8
359.03058	0.5
415.03546	0.8
503.10284	0.4
531.83191	0.3
553.15533	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	537.1244
Annotation	Laricitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03939	1.9
55.01887	0.5
57.03438	0.6
61.02938	0.7
62.80396	0.4
65.03921	0.8
66.05055	0.4
69.03089	0.6
69.03436	8.3
71.04995	1.3
73.02903	0.6
73.04756	2.0
75.52966	0.3
79.05505	0.5
81.03427	4.3
81.35291	0.6
83.01345	0.6
84.87033	0.4
85.02906	9.4
91.05863	3.1
93.07073	0.9
95.04963	0.6
97.02895	13.5
98.22596	1.3
99.04453	2.3
103.05470	0.6
107.04985	0.7
108.02073	0.6
109.02875	3.6
111.04487	0.5
115.03916	0.5
115.05444	0.6
117.03411	0.5
121.06521	4.3
121.83817	0.5
123.04477	1.0
126.03136	1.1
127.03909	3.9
131.04910	1.4
137.05995	1.9
137.65335	0.4
138.03189	0.6
138.09128	0.8
139.03923	1.6
145.02914	0.9
145.04974	6.6
147.04324	0.6
149.04582	0.7
151.03955	0.6
153.01813	6.2
157.93282	0.4
161.05823	0.6
163.03906	0.6
163.07574	1.4
166.02644	0.6
167.05566	3.7
168.05611	0.9
175.07544	0.5
177.05504	2.0
179.03458	0.5
181.04962	1.4
182.05376	0.7
187.06032	0.5
191.07043	2.3
205.05005	0.6
216.04228	1.8
217.04996	0.6
219.02916	2.0
219.06503	1.5
225.07622	0.6
230.02351	0.7
233.04503	0.5
234.05165	0.6
240.09575	0.6
244.03726	3.7
245.04451	2.4
261.03967	1.8
266.99988	0.7
272.03131	1.4
273.03918	1.8
281.05331	0.6
284.02988	0.7
287.05463	0.8
289.03513	2.4
289.46454	0.5
290.04224	4.1
299.06168	4.4
300.06198	4.2
301.03384	5.0
301.06137	0.6
316.99390	0.7
317.02921	8.1
318.03699	51.4
319.04004	1.9
333.06046	100.0
334.06351	4.8
344.97726	0.8
345.97598	1.3
356.14951	0.8
360.08328	0.5
361.05469	2.5
375.10681	2.9
382.12830	0.6
416.03760	1.1
537.11975	11.2
537.26343	1.5
538.13165	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	537.1607
Annotation	3,6,7,4'-tetramethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
58.51159	0.4
59.15123	0.5
62.30164	0.5
69.03400	1.0
70.57520	1.2
73.04734	1.1
79.46617	0.5
85.02873	1.9
90.46689	0.5
97.02905	0.7
111.31663	0.6
121.06554	0.6
123.04366	0.5
129.06969	0.6
137.05934	2.2
151.03909	2.4
167.03336	1.7
167.05515	1.9
167.06865	0.6
174.06679	0.5
175.07507	0.8
189.09016	0.6
203.06998	0.7
207.02937	0.6
215.03505	0.6
217.04924	0.5
223.05931	0.4
229.04959	0.7
233.08125	1.6
234.08392	1.2
240.07733	0.7
242.05887	0.7
243.06534	1.0
245.04391	0.7
247.06004	0.6
253.04941	1.0
257.04395	1.4
270.05197	1.7
271.06033	4.1
273.03973	0.6
283.05853	0.6
284.03101	1.5
285.03879	1.9
285.07257	1.1
286.05139	0.5
286.08337	1.8
287.05457	0.8
289.07129	0.9
296.03094	3.1
296.06058	0.5
298.04791	2.1
299.05615	5.8
300.02750	1.0
300.06262	2.1
301.06265	0.6
302.04364	2.7
311.05453	1.1
313.03320	1.8
313.06836	0.8
314.04193	5.4
314.07858	9.3
315.05038	6.7
315.08353	0.9
316.05615	0.9
317.03281	1.2
317.06577	2.8
326.04211	1.4
327.05078	3.4
329.06494	2.8
330.03766	3.4
330.07379	0.7
331.04593	0.8
331.08148	3.1
341.06619	1.5
342.07407	4.5
343.04391	1.1
343.08194	2.3
344.05240	1.6
345.06067	20.8
346.06622	4.0
357.13232	0.7
359.07620	27.7
360.08365	21.8
361.09030	1.1
375.10748	100.0
376.11066	5.8
381.01199	1.4
537.16010	66.0
538.16473	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	537.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
56.05026	0.3
58.99580	0.6
60.81608	0.3
70.22948	0.7
70.23318	0.3
73.04771	0.7
74.00671	0.4
76.02235	2.0
76.04011	1.1
77.03947	0.5
78.62390	0.2
81.03441	0.3
81.07037	0.3
84.04517	2.6
85.71082	0.2
86.09694	0.4
86.20135	0.2
87.01905	0.2
91.05450	4.5
93.07052	7.5
95.04993	1.2
99.05576	0.4
103.05460	4.9
103.06135	0.3
105.04520	0.5
107.04920	0.8
110.06044	4.5
116.01659	0.6
121.06509	100.0
122.06834	2.0
126.03783	0.4
128.72255	0.2
129.06718	0.3
130.05019	1.6
131.11723	0.3
140.05290	1.0
145.06122	0.7
149.03741	0.3
153.06590	0.3
156.04472	0.2
159.11720	0.4
162.02237	0.8
167.05539	0.9
177.03329	1.4
179.04895	2.0
185.03790	1.3
189.31737	0.3
202.12277	1.0
225.04337	0.4
230.11766	57.1
231.04364	3.5
231.12080	2.1
233.05934	0.9
243.08038	0.7
246.38171	0.3
262.08917	0.5
283.03149	0.3
288.06491	0.5
299.06174	1.5
300.06161	1.3
305.13251	0.3
306.07516	0.7
308.09079	2.5
371.14197	0.8
408.15854	2.6
474.17401	0.3
476.31296	0.3
537.19611	1.6
540.25787	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	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05508	1.9
57.03426	0.5
67.05503	2.0
69.07083	0.6
71.04995	0.4
71.27878	0.5
73.04764	1.1
79.05511	1.4
81.07072	2.4
83.08611	1.0
84.36326	0.4
91.05792	2.0
93.07046	1.3
95.08635	1.1
97.10191	1.0
105.07043	1.2
107.08600	1.3
109.10197	0.9
125.09644	1.0
129.07103	0.3
131.08401	0.3
133.10136	0.7
143.08749	0.4
145.10077	0.4
147.11703	0.5
167.05573	3.0
168.05698	0.8
173.11763	0.4
174.99602	0.4
185.04292	0.4
187.78712	0.4
189.11240	1.3
225.04323	0.6
227.12871	0.7
229.14285	0.5
239.09538	0.5
266.99768	0.5
268.00015	0.5
275.20114	1.1
277.42557	0.4
299.06149	3.1
300.06223	3.5
301.05948	0.9
301.20212	0.7
345.97549	0.8
416.03989	0.9
494.47125	0.4
504.11093	0.6
519.32983	0.7
537.30322	100.0
538.30676	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	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
55.05511	53.5
57.03440	11.3
57.07071	45.1
67.05509	93.0
69.07069	49.1
71.04995	30.2
71.08632	35.8
73.04763	4.4
79.04797	3.8
79.05497	86.6
81.03435	8.9
81.07059	84.8
83.04982	15.5
83.08616	34.4
85.06546	6.5
85.10191	15.9
91.05473	75.5
93.07051	79.1
95.04993	26.7
95.08609	54.9
96.09023	5.5
97.06553	9.6
97.10176	20.6
98.23425	11.2
103.11136	4.0
105.07030	52.3
107.04975	8.4
107.08606	25.5
109.06521	9.6
109.10168	14.7
111.08079	5.3
111.11709	4.5
117.07028	10.9
119.08575	31.1
121.06494	4.1
121.10152	9.3
123.08083	3.8
123.11705	14.4
129.07016	15.7
130.75218	4.0
131.08517	4.8
133.10092	20.1
135.11705	3.9
141.41217	3.6
143.08623	6.8
145.10124	8.3
147.11691	41.9
149.13269	6.2
151.11238	4.4
161.09639	5.5
161.13272	13.6
164.32199	3.8
164.41100	3.9
164.89597	3.5
167.05589	6.0
171.11679	35.8
183.13840	11.1
189.12791	11.9
195.13882	4.6
207.13860	34.5
237.22092	5.7
239.23796	6.1
281.17493	66.0
282.17957	4.6
282.27780	4.1
299.06268	5.2
300.06360	6.6
313.27344	94.5
359.03305	4.2
493.38690	21.6
519.40454	100.0
520.40277	5.2
530.16071	4.1
532.25128	3.9
537.41516	43.3
538.41638	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	538.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.4
51.02390	0.9
52.80951	0.3
53.03949	2.0
55.01876	1.4
61.06722	0.3
63.02391	0.4
65.03942	4.1
67.05504	1.2
68.99794	0.3
69.03441	0.4
69.10725	2.2
71.01355	1.1
77.03950	0.9
78.04720	0.5
79.05502	2.4
80.07800	0.2
81.03397	0.6
81.04280	0.2
81.07066	1.2
82.00568	0.4
82.04193	1.1
85.02909	2.2
89.03919	6.1
91.05482	17.4
92.05785	0.3
93.03417	0.9
93.07043	9.6
94.04179	0.4
95.04970	5.0
97.02907	0.4
97.06540	0.5
98.23388	0.6
102.04698	0.7
103.05469	8.6
103.06137	0.5
104.04208	0.3
104.04968	0.5
104.05772	0.3
105.03394	1.6
105.04511	1.5
105.07053	0.3
106.04163	0.9
106.06535	0.3
107.04959	6.2
108.02109	0.4
109.06540	2.8
110.03638	1.7
111.04456	0.9
115.05478	0.6
117.03378	19.4
118.03636	0.3
119.04943	7.2
120.05740	4.8
121.02909	0.6
121.06508	45.4
122.03629	0.6
122.06864	1.0
122.37417	0.2
123.04412	2.4
124.05231	0.3
125.05983	1.5
130.04140	0.5
131.04961	1.0
131.46437	0.3
132.04446	0.8
133.02864	3.9
133.06505	3.0
134.03658	1.5
134.06017	3.9
134.07028	0.5
135.04434	1.8
135.06671	0.3
136.05237	0.7
136.07576	4.0
137.02344	0.4
137.05980	7.7
137.68318	0.2
138.03091	1.0
139.03905	0.9
140.04660	1.0
142.02608	1.3
143.04955	0.6
144.04404	0.4
144.95360	0.3
145.02849	50.3
145.06465	1.4
146.03253	1.1
147.04419	4.5
148.05232	1.4
148.07497	0.3
149.04736	1.2
149.05963	8.3
150.06755	0.3
151.03886	0.7
151.07550	2.4
153.05466	4.7
154.06200	1.5
155.07045	2.6
157.03955	0.4
159.04399	0.9
160.05199	0.7
161.02341	0.4
161.06039	1.3
162.03239	0.3
162.05513	1.5
163.03876	1.0
164.07060	2.0
165.05486	8.3
166.06281	2.0
167.05640	0.6
167.07030	5.7
171.06587	2.0
173.06013	1.2
174.05495	0.7
175.03915	4.9
175.06203	0.5
176.04680	1.3
176.07082	0.6
177.05472	100.0
178.05827	2.7
179.07091	1.8
180.07828	5.5
181.04956	49.4
182.05341	1.3
183.06519	0.4
186.03110	1.0
186.05508	0.4
187.03873	0.9
189.05428	1.0
191.07053	0.4
192.06555	18.9
193.04987	3.3
193.07272	1.3
195.06537	2.0
196.07314	0.9
197.08061	1.1
201.05479	4.2
206.08101	0.8
207.04709	0.5
207.06546	6.1
208.07294	12.0
209.07986	1.3
219.06520	5.6
225.07582	17.1
226.08337	10.9
227.08630	0.5
229.04892	1.3
235.07639	0.5
237.09189	0.3
247.05835	0.5
250.06216	0.5
253.08556	0.5
263.06815	0.4
265.08389	0.4
266.08813	0.3
270.11252	0.4
293.07986	0.9
295.09506	0.6
312.12299	26.0
313.12772	1.7
314.13843	2.3
321.07382	0.3
323.09192	0.3
325.10477	0.4
351.08527	0.9
353.10175	3.1
355.11676	1.0
356.14886	1.5
369.09641	3.8
371.11221	1.8
377.22934	0.5
383.11243	3.5
401.12326	4.9
402.12823	0.5
508.19431	1.3
538.20502	6.7
538.28326	0.6
539.20447	0.6
539.27856	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	538.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
55.01875	0.3
61.30728	0.2
63.02387	0.6
65.03955	0.4
66.68462	0.2
73.04778	0.5
78.04712	0.5
79.05504	0.6
80.09599	0.2
81.07065	0.3
89.03919	9.2
91.05418	1.5
92.05810	0.4
93.07056	0.8
95.04996	0.4
97.19064	0.2
99.43884	0.3
103.05479	1.2
105.03432	0.2
105.07029	0.8
106.04192	0.7
107.04967	0.6
111.04491	0.3
113.47490	0.2
115.05432	0.3
116.02425	0.2
117.03382	23.9
118.03710	0.5
119.04945	0.5
120.05699	0.5
121.06518	3.3
123.04406	0.3
131.04955	1.2
132.05739	1.0
133.02841	0.4
133.06500	0.8
134.03615	2.0
135.04436	2.1
137.06003	0.7
139.03856	0.5
145.02852	54.4
146.03195	1.7
147.04369	0.6
148.05141	0.3
149.05989	8.1
150.97858	0.2
151.07568	0.5
153.05501	0.6
153.09079	0.2
160.05214	0.6
161.05962	2.7
162.03094	0.3
163.03926	0.6
165.05521	0.3
167.05588	0.6
167.07045	2.1
177.05472	100.0
178.05798	3.9
179.07089	0.3
180.07825	0.6
181.08653	0.4
182.09348	0.7
186.05493	0.9
191.07043	1.1
192.07912	1.2
193.08598	1.8
201.05467	0.6
206.08105	0.4
209.08038	1.8
210.08905	1.8
213.05492	0.3
222.06766	0.7
223.07426	0.6
231.06427	0.5
235.07372	0.3
236.04675	0.3
237.05429	0.3
239.07133	0.3
250.06215	0.7
251.07016	0.8
252.07880	0.3
263.06918	0.4
265.04922	0.3
265.08713	0.3
267.06482	0.3
276.04019	0.3
278.05679	0.3
279.06497	1.1
291.06525	0.3
293.08005	0.4
299.06073	0.7
300.06046	0.3
301.06342	0.6
307.05737	0.3
308.06802	0.4
311.09033	0.6
323.09393	0.3
325.10352	0.3
328.11826	2.1
332.14963	0.5
339.08633	4.4
340.08862	0.3
345.13245	0.4
346.97406	0.3
351.08740	0.5
353.10211	1.6
362.15851	1.0
367.11679	0.3
368.15045	0.4
463.39075	0.3
476.16724	1.0
488.16568	0.3
508.19193	0.7
538.20544	1.2
539.15350	1.1
539.28021	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	538.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.7
67.05508	0.6
69.48901	2.0
70.06556	0.4
71.13917	0.3
73.04750	0.9
78.04752	0.6
79.05501	1.0
81.07066	0.8
89.03403	0.3
89.03918	9.4
91.05388	0.7
91.05817	1.4
92.05782	0.4
93.05463	0.4
93.07030	0.9
93.80291	0.4
95.04970	0.7
98.22703	0.4
103.05478	1.5
105.07032	1.7
106.04160	0.8
109.06482	0.4
117.03383	24.4
117.06927	0.4
119.04942	0.8
121.06500	2.8
122.06826	1.0
123.04430	0.9
124.97429	0.3
131.04927	1.3
132.05746	0.8
133.06487	1.5
134.03633	1.8
135.04437	1.8
138.09132	0.5
139.03899	0.8
145.02849	53.0
146.03226	1.8
149.04660	0.6
149.05971	7.6
151.07497	0.5
154.06198	0.3
160.32248	0.4
161.05968	1.9
166.08606	0.9
167.05539	1.1
167.07030	1.6
168.05614	0.4
169.05424	0.6
177.05472	100.0
178.05846	3.4
178.16615	0.4
179.07062	0.6
181.08649	0.5
182.09389	0.5
186.05504	1.1
188.80676	0.3
191.07024	0.8
192.07784	0.8
193.08615	2.1
194.08098	0.4
204.06487	0.5
206.08130	0.4
209.08139	1.8
210.08829	1.1
235.74130	0.3
299.06198	1.3
300.06360	0.5
301.05963	2.0
328.11746	2.2
345.13348	0.6
346.97363	0.6
354.13037	0.5
362.15857	1.1
376.21460	0.5
417.03519	0.5
485.31314	0.4
501.37076	0.8
502.37518	1.1
508.19159	1.2
538.20282	1.3
538.27332	0.5
539.27820	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	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
60.47322	0.8
61.02935	1.1
65.03942	0.8
69.03429	1.8
71.04992	0.7
73.04754	1.6
81.03415	2.2
81.16048	0.8
82.92497	0.8
84.04386	0.8
85.02908	7.5
86.06631	0.7
86.24371	0.8
91.05870	0.9
93.03398	0.9
94.04231	1.4
97.02897	2.4
98.22543	1.6
100.11280	2.5
103.05481	1.6
105.07051	0.9
111.04469	1.6
115.05473	6.6
117.07027	2.1
122.03668	3.2
125.05985	2.3
127.03952	1.9
128.06216	1.1
129.07005	5.9
131.04955	3.6
133.10168	1.2
137.05981	80.3
138.06271	1.8
143.04938	9.6
144.05759	0.9
145.05006	2.0
145.06488	1.0
146.03627	1.1
153.05443	3.2
157.06543	4.7
160.05196	15.6
161.05992	2.7
163.07573	3.4
167.05620	1.1
169.05313	1.0
172.05235	2.8
174.06798	2.4
175.07553	100.0
176.07883	4.1
177.09079	0.8
179.73793	1.0
180.08743	0.9
187.07552	34.1
188.07979	1.2
189.09120	8.2
203.08733	1.5
205.08603	19.9
211.07545	2.0
217.08603	4.0
219.08078	1.5
231.08047	1.3
235.09660	14.4
239.07050	1.1
240.07967	1.0
247.07661	1.7
248.08376	1.6
251.10599	1.0
259.07419	1.1
263.10733	2.6
270.08862	1.5
271.09726	3.6
279.10034	1.6
285.02826	1.0
291.10144	5.3
299.06042	1.5
300.06213	1.0
301.05954	1.9
311.12897	2.2
323.12701	5.5
340.19330	1.2
341.13754	4.3
351.01569	0.8
358.20428	1.7
538.42926	1.6
539.28192	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	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05517	1.1
57.03437	1.1
59.62598	0.6
61.02924	1.0
64.99040	0.6
65.03931	1.5
66.04697	0.7
67.05508	0.7
67.44650	0.6
69.03427	2.8
69.08884	5.1
70.06586	1.7
71.05028	0.8
73.04772	1.0
81.03415	3.7
81.07062	1.2
83.04993	0.9
85.02906	10.4
86.09700	1.8
91.05828	1.3
93.06999	0.9
94.04204	1.9
95.04983	0.7
97.02916	3.9
100.11255	1.6
103.05479	2.0
105.07004	1.0
107.04951	1.0
109.06518	1.6
111.04430	1.7
113.10355	0.8
114.42850	0.7
115.05466	6.4
117.07016	1.9
119.04978	0.8
119.08525	0.7
121.06476	0.9
121.10121	0.8
122.03638	4.5
123.04366	0.9
125.06023	1.1
127.03918	1.9
128.06210	0.9
129.06995	5.8
131.04936	3.3
133.10133	1.1
136.07509	0.7
137.05984	81.3
138.06306	2.8
142.12279	1.4
143.04944	10.1
144.05751	1.3
145.04971	2.2
145.06476	2.4
147.04433	0.9
151.03928	2.8
153.01848	1.7
153.05481	3.1
157.06477	4.0
160.05200	16.0
161.05986	3.3
163.07567	2.6
167.05560	2.2
172.05206	2.6
173.05948	1.0
174.06795	2.3
175.07558	100.0
176.07928	4.2
177.05544	0.9
177.09052	0.9
177.22028	0.8
180.08688	1.7
187.07547	36.9
188.07948	1.6
189.09142	8.8
191.08537	0.9
199.07355	0.9
203.08615	1.6
205.08617	22.6
210.14867	1.2
211.07594	1.2
217.08604	3.9
219.08043	1.7
219.10149	1.1
219.17473	0.9
231.08095	2.7
235.09644	22.1
239.07130	1.5
248.08356	2.2
251.10724	0.9
255.06497	1.7
263.10739	2.0
270.08844	2.4
271.09598	4.0
276.07910	1.3
279.10046	2.1
283.09595	1.3
291.10223	5.4
293.07928	0.9
299.06116	2.2
300.06192	0.8
301.06055	2.3
311.12820	2.3
323.12827	6.0
337.21051	0.8
341.13782	6.8
346.97702	0.7
362.28546	0.8
495.35388	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	538.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
57.03440	2.3
61.44507	1.3
71.04993	13.8
73.04754	2.2
75.04482	1.3
79.05495	3.3
85.02908	18.6
103.05470	4.1
105.07033	2.5
107.04960	32.8
108.51440	1.2
115.05490	1.4
120.05856	1.5
121.06498	1.3
129.05499	7.9
135.08049	9.1
146.08131	1.5
147.06566	6.1
153.01849	1.7
154.06252	3.6
163.07542	16.0
164.09251	5.9
167.05682	2.4
167.07019	16.7
168.05487	1.8
177.05475	1.5
180.07840	3.3
195.10175	100.0
196.10452	2.4
200.91293	1.4
202.18771	1.3
209.08211	1.3
299.06235	2.6
300.06259	1.7
301.05981	4.2
346.97635	2.0
481.39075	1.4
539.17877	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	538.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83121	1.0
55.01895	1.3
57.03438	7.1
57.07071	2.2
59.04993	1.6
67.05502	7.3
69.03432	26.9
69.07075	1.8
70.06597	1.0
70.47494	2.0
71.05000	7.2
72.34691	0.9
73.02921	1.4
73.04757	2.0
75.04479	1.0
76.80537	0.9
79.05493	6.0
81.03432	1.7
81.07074	1.8
83.04982	2.8
85.02912	16.6
85.06546	40.7
86.09711	1.3
87.00220	1.0
87.04465	13.0
88.23976	1.0
91.05498	5.2
93.07029	4.8
95.04967	1.8
97.02895	16.7
99.08077	1.4
105.07048	5.9
107.04957	3.6
107.08590	7.4
109.06516	1.4
111.04435	4.4
115.03947	17.2
117.07027	1.9
119.08588	6.2
121.06513	6.2
121.10132	6.4
125.05969	1.7
127.03887	1.4
129.07011	2.4
131.08582	26.3
132.08896	1.4
133.04964	15.3
135.11679	2.4
137.05989	3.6
137.09615	2.3
139.07475	1.5
141.05434	1.1
145.04999	1.6
145.06447	1.1
145.10135	11.9
147.08040	1.6
149.06023	1.3
149.08522	2.1
149.09625	25.0
150.07619	2.4
153.01688	1.1
153.05637	1.1
163.07617	1.0
163.11197	10.0
165.09125	4.2
167.05534	2.8
167.10689	13.5
173.09651	3.3
175.07571	1.9
179.10654	1.4
191.10670	30.6
197.11763	1.4
209.11732	40.7
210.12057	2.7
219.62802	1.0
227.12784	100.0
228.13152	4.1
299.06201	2.6
301.05984	4.2
448.17102	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	539.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55436	10.8
50.69272	10.8
52.78160	11.4
53.64058	11.6
55.88106	12.2
69.01950	100.0
94.93040	16.8
98.23406	18.3
121.06523	45.8
201.47791	12.7
202.89137	13.9
204.87177	11.1
204.88976	20.3
204.92587	15.9
222.90630	15.4
268.00458	13.7
353.52753	11.9
539.04449	45.9
558.78827	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	539.1549
Annotation	Didmolamide A
Peak:m/z	Relative Intensity
56.08386	0.7
62.45697	0.6
65.75977	0.6
71.30242	1.2
73.04764	0.7
79.05488	0.9
91.05461	1.7
93.07047	0.8
103.05470	3.6
105.03404	1.1
105.07062	2.2
107.04983	1.0
117.03413	1.3
118.04203	1.5
119.05030	0.6
121.02890	1.2
121.06482	1.3
123.04445	0.8
125.02361	0.8
130.04178	1.2
131.04938	11.9
132.05710	10.3
133.02902	0.7
133.06502	1.1
135.04453	0.8
140.04683	2.0
144.26950	0.6
146.03642	2.0
147.04433	1.2
148.05185	1.1
149.02332	0.7
149.06027	2.6
151.03943	1.0
152.31622	0.6
154.06271	2.0
160.05206	4.5
161.05991	2.8
165.05487	2.0
167.03333	3.7
167.05618	1.5
167.07063	6.6
170.89775	0.6
175.03889	0.8
176.04712	1.1
177.05473	5.0
177.64043	0.7
178.06313	3.2
180.07816	3.1
181.08646	1.0
182.09416	0.9
187.03854	1.3
191.06932	3.6
192.07811	12.5
203.03311	0.8
212.04774	0.8
215.06932	1.0
227.06989	0.9
228.04388	0.9
230.05759	1.7
231.06567	1.9
242.05827	2.2
243.06465	2.4
245.08199	0.9
255.06581	3.0
257.04504	2.6
257.08118	0.8
258.05252	4.9
259.06027	4.7
271.06021	6.8
272.06931	0.9
273.07501	5.4
283.05963	2.0
285.07675	1.6
287.05588	4.0
297.07666	1.1
299.05536	2.9
300.06305	2.1
301.07077	21.5
313.07065	1.0
315.05014	8.3
316.05624	4.2
327.05038	5.4
329.06509	8.3
330.07214	4.3
331.08377	2.6
341.06458	4.2
343.08139	0.8
357.06140	4.5
367.08130	2.1
371.07700	1.9
385.09283	2.0
397.05554	0.8
457.09567	0.9
489.11755	2.7
491.10040	1.3
509.14487	2.4
521.14380	9.9
539.15497	100.0
540.15759	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	539.1551
Annotation	Didmolamide A
Peak:m/z	Relative Intensity
50.12503	0.4
53.99026	0.3
55.01888	0.5
65.03932	0.7
68.99789	0.5
70.30759	1.1
71.08631	0.6
78.04707	0.4
78.94076	0.3
79.05497	0.8
81.07064	1.3
82.06611	0.4
88.11269	0.5
89.03914	1.0
90.04694	0.4
91.05470	1.8
92.65902	0.3
93.07091	0.6
95.04988	0.5
98.09692	0.6
100.11253	0.9
103.05492	2.1
104.06303	0.5
105.03456	0.6
105.07056	0.8
107.04993	0.8
111.04424	0.5
117.03401	1.8
118.04216	1.0
119.04958	0.6
121.06520	2.0
123.04446	1.4
130.04207	0.9
131.04921	5.4
132.05736	3.7
133.02824	0.6
135.04416	0.8
137.02354	0.6
137.05974	0.7
139.03903	2.5
140.04688	0.5
145.02856	1.7
146.03485	0.7
146.07233	0.5
147.04446	0.9
148.05246	0.5
149.05988	2.2
151.03911	0.5
153.01772	0.6
153.05554	0.6
154.06239	0.8
159.04358	0.4
160.05180	2.7
161.05963	1.1
163.03938	0.5
163.07596	0.6
165.05501	1.1
167.03401	3.1
167.07008	3.2
168.05814	0.5
170.15445	1.5
172.11122	0.3
173.06032	0.3
175.07542	0.4
176.04704	0.9
177.05473	6.3
178.05878	2.0
179.07138	0.5
180.07874	1.6
181.06558	0.4
182.09486	0.6
182.15411	0.9
184.05171	0.4
185.06050	0.4
187.03888	0.5
191.07042	1.8
192.07811	8.9
192.09552	0.5
198.14925	1.5
198.53038	0.3
201.05562	0.4
210.08856	0.4
210.14970	0.8
212.04689	0.6
213.05441	0.8
214.06204	0.8
216.04311	0.9
225.05521	0.6
226.06360	0.8
226.14415	0.7
227.07047	0.7
228.04208	1.6
228.07878	0.5
229.04948	1.3
230.05742	1.5
231.06590	1.4
240.04190	1.9
241.04947	1.0
242.05708	1.7
243.06555	2.3
244.03723	1.3
245.08110	0.7
253.05054	0.8
254.05928	0.8
255.06535	3.6
256.03662	2.0
257.04483	2.5
257.08127	0.6
258.05273	5.0
259.06094	2.8
261.03870	0.5
267.06586	0.7
268.03726	1.4
269.04456	1.0
270.05209	3.4
271.06009	7.6
272.03174	1.1
272.06738	1.2
273.07578	3.6
281.04510	0.8
282.05185	1.3
283.05994	2.8
284.03232	1.0
285.04120	0.8
285.07593	1.9
286.04745	1.4
287.05490	6.3
288.06082	0.5
295.06021	0.5
297.04108	0.9
297.07706	1.4
298.04810	1.1
299.05475	3.6
300.02594	0.9
300.06259	1.4
301.07050	26.1
302.07379	1.4
311.05798	0.5
313.03580	0.5
313.07150	0.9
314.04340	0.8
314.07755	0.6
315.05026	14.0
315.08606	1.0
316.05627	3.1
327.04968	4.1
327.08456	0.4
328.05746	0.7
329.06564	7.5
330.07300	8.3
331.08081	3.8
341.06677	1.7
343.08316	0.9
347.09534	0.4
357.06024	5.2
371.07715	2.0
377.23029	1.0
424.31772	0.5
445.09317	0.4
463.10367	0.7
473.08728	0.8
475.10379	0.5
487.10547	0.5
491.09631	2.3
493.11395	0.6
495.12195	0.4
505.10895	2.2
506.12061	1.0
509.14417	2.5
521.14447	8.5
522.14484	0.6
539.15509	100.0
539.27246	3.0
539.41742	1.2
540.15820	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	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
67.05507	0.6
69.08881	1.7
73.04784	0.2
79.05490	0.6
81.07047	0.9
83.08615	0.3
91.05446	0.6
93.07027	0.4
95.04965	0.3
95.08615	0.4
103.43777	0.2
105.07066	0.4
107.08602	0.3
115.74000	0.2
117.06969	0.3
119.08587	0.5
129.07031	0.3
131.08568	0.3
143.08551	0.5
155.08490	0.2
157.10123	0.4
181.10220	0.3
195.11729	0.4
203.05344	0.8
211.41199	0.2
259.08005	0.5
300.06152	0.2
301.05847	0.4
447.32391	0.5
521.36420	0.3
539.31848	100.0
540.32178	7.9
540.39941	0.4
540.45123	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	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76901	0.5
59.41413	0.5
61.36830	0.5
69.57639	2.9
70.48828	0.6
73.04765	0.6
73.55096	0.4
78.59740	0.5
81.07054	0.6
141.23903	0.5
156.57329	0.5
167.05577	0.7
539.31921	100.0
540.32227	9.0
558.59052	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	539.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13229	5.3
55.05502	5.1
59.51484	4.7
65.16662	4.4
66.09322	4.3
67.05496	20.8
69.03433	10.5
69.07063	15.8
69.61556	24.4
70.06584	7.2
71.05004	8.5
79.05495	8.0
80.92206	6.0
81.07063	55.4
83.08604	6.8
85.02903	21.1
86.58662	5.3
91.05470	8.6
93.07033	26.6
95.04971	7.0
95.08608	32.8
103.05496	13.3
105.07029	14.1
107.08601	18.3
109.10134	27.1
117.07065	6.7
119.08552	5.8
119.54546	5.2
121.06480	6.3
121.10133	18.0
123.08162	6.6
123.11687	18.7
123.36962	5.0
127.07786	4.9
129.07037	6.3
131.04918	15.2
133.10078	5.5
135.11716	13.1
137.05981	100.0
138.06349	23.1
138.09109	6.2
145.04874	5.2
147.11687	8.0
149.13399	5.7
151.07536	17.0
159.11731	6.3
160.05161	10.1
160.08426	4.6
161.05569	7.0
163.07544	34.5
166.08727	6.9
167.05624	5.5
167.07045	8.0
167.08966	5.0
172.03879	5.4
175.07565	69.8
176.07874	50.8
177.05438	7.2
177.09113	83.7
187.07588	24.6
188.07875	10.8
189.09177	11.5
204.06433	8.5
205.08623	14.2
206.08910	8.6
221.11713	14.6
236.10112	6.6
264.08511	7.7
266.10172	5.8
287.12720	8.0
300.06305	5.2
301.06064	7.3
305.24835	10.5
313.14215	8.9
323.25925	5.8
331.15375	17.5
456.93472	5.6
539.20667	23.0
539.28125	54.7
540.28918	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	539.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72147	0.2
55.05278	0.4
55.05516	4.2
55.19471	0.2
56.26838	0.2
57.07076	0.5
58.06319	0.3
58.06602	5.3
64.57160	0.2
67.05509	6.5
69.07074	5.9
69.58215	0.8
69.58617	0.5
72.08157	0.3
77.56573	0.2
78.41045	0.2
79.05490	0.8
81.06592	0.4
81.07063	6.6
82.07392	0.3
83.08628	2.5
86.09728	0.3
88.23927	0.3
91.05862	0.2
93.66270	0.2
95.08611	7.3
95.56654	0.2
97.09629	0.2
97.10159	1.4
98.09692	0.3
99.68704	0.3
104.10744	0.5
109.10159	2.7
111.11688	0.4
115.77221	0.2
119.41234	0.2
123.11749	1.2
129.28867	0.3
132.14764	0.2
167.05493	0.3
184.07341	0.8
252.26877	100.0
253.27234	3.7
256.21768	0.3
301.05734	0.3
302.05951	0.3
488.20178	0.3
521.34253	0.3
539.29468	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	540.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03942	0.8
68.65691	0.2
69.59587	0.5
71.04520	0.2
77.03938	0.2
79.05499	3.5
81.03446	0.2
94.36182	0.2
95.04964	0.8
101.33460	0.1
103.05476	2.6
105.07035	100.0
106.07362	2.8
122.09672	46.7
123.10003	1.0
316.45242	0.2
493.11154	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	540.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03948	2.1
63.02385	0.5
64.44718	0.5
65.03930	0.8
69.25990	3.0
75.71896	0.5
77.03942	0.6
78.04712	0.8
79.05511	1.4
81.03384	0.5
85.44508	0.4
87.98466	0.4
89.03916	6.1
91.05486	14.5
93.03418	0.7
93.06468	1.0
93.07048	12.7
95.04979	3.2
95.47688	0.5
96.44901	0.5
98.23418	0.8
102.04754	0.7
103.05473	11.4
105.04504	1.4
106.04169	2.0
107.04959	7.1
115.05450	1.3
117.03384	20.5
117.07033	1.1
118.91389	0.4
119.04967	4.9
120.05740	1.7
121.06514	56.9
122.06818	1.1
123.04450	1.1
124.05195	0.7
131.04938	3.3
131.05794	0.5
132.04489	0.6
132.05707	1.1
133.02831	0.6
133.06516	0.8
134.03645	1.3
134.05992	2.7
135.04411	2.2
136.05177	0.8
136.07602	3.7
137.05963	2.6
140.04726	0.8
143.04967	0.6
145.02855	54.6
145.06503	2.2
146.03223	1.7
147.04434	2.0
149.05980	12.1
150.06528	0.5
151.07529	3.5
152.04713	0.5
153.05534	0.8
154.06197	0.5
155.07033	1.7
158.03615	2.6
159.04489	0.5
160.05190	1.2
161.06006	1.6
162.05431	1.0
163.03926	3.6
163.07553	1.0
164.07045	4.5
165.05504	1.8
165.09148	1.8
167.07048	13.3
167.08374	1.0
168.07341	0.5
173.05989	6.7
175.03908	1.5
175.07634	1.0
177.05478	100.0
178.05858	3.4
178.07413	0.5
179.07048	4.1
180.07831	4.1
181.08626	1.3
182.09349	1.9
186.03119	3.0
186.05582	0.6
191.07036	2.0
192.06465	10.2
192.07890	1.9
194.08063	0.9
201.05473	65.2
202.05710	2.3
206.08051	0.6
207.06558	1.1
209.08075	6.6
210.08867	1.8
213.05482	3.4
215.06885	0.6
219.06465	0.7
222.20892	0.5
231.06517	5.8
263.07080	0.9
264.07803	0.5
267.10297	0.6
295.09601	0.6
312.12305	28.3
313.12726	1.4
314.13843	8.6
323.09076	0.6
329.23755	0.5
335.09027	1.4
337.10529	0.7
338.13983	2.3
355.11801	5.9
364.22308	0.7
367.11810	2.7
385.12769	2.2
472.17599	1.3
492.20206	9.2
493.20657	0.6
504.19769	1.4
522.21265	6.3
540.22034	3.0
540.29108	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	540.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
51.02388	0.5
53.03946	1.8
53.20491	0.2
54.25890	0.3
55.01880	1.0
61.98096	0.2
63.02071	0.3
63.02382	0.8
65.03944	0.7
71.30646	0.3
71.31024	0.3
75.04451	0.3
77.03947	0.9
78.04699	1.5
79.05493	1.5
81.03420	0.6
81.07064	0.3
89.03914	7.1
91.05482	16.7
93.03418	0.7
93.07046	12.1
95.04974	4.3
97.06574	0.4
100.11247	0.3
101.31612	0.3
102.04697	0.7
103.05474	12.3
104.05042	0.3
104.05732	0.3
105.03424	0.6
105.04508	1.3
105.07069	0.7
106.04166	2.5
107.04961	7.0
107.05695	0.3
109.02956	0.3
115.05464	1.2
117.03384	20.3
117.07016	1.6
118.03685	0.4
119.04948	4.5
119.08594	0.3
120.05754	1.5
120.08070	0.2
121.06510	60.4
121.87109	0.3
122.06079	0.4
122.06777	1.6
123.04418	2.2
124.05231	0.5
125.05963	0.5
128.06235	0.3
130.04137	0.4
131.04930	3.6
132.04449	0.6
132.05722	1.1
133.02911	0.5
133.06480	0.9
134.03665	1.8
134.06010	3.8
135.04443	2.7
135.08064	0.3
136.05194	0.8
136.07568	3.4
137.06006	3.1
138.06395	0.3
138.09126	0.7
139.03889	0.9
139.07503	0.4
140.04709	0.6
142.03992	0.3
143.04926	0.9
145.02852	52.4
145.06476	3.2
146.03137	1.3
147.04404	2.7
147.08177	0.4
148.05171	1.5
149.04849	0.8
149.05981	12.6
150.06583	0.5
151.03886	0.5
151.07564	3.0
152.04692	0.4
153.01837	0.7
153.05475	0.6
153.09131	1.0
154.06258	0.7
155.07071	1.3
158.03624	3.0
158.05940	0.3
159.04408	1.0
160.05147	1.3
161.05988	1.3
162.03101	0.7
162.05528	1.0
163.03911	4.1
163.07559	1.0
164.07050	4.3
165.05499	1.5
165.06854	0.3
165.09120	1.9
166.06221	0.3
167.07045	13.9
168.07388	0.5
170.03708	0.4
173.02211	0.3
173.05969	7.0
175.03931	1.7
175.06235	0.4
175.07593	1.0
176.04662	0.6
176.07190	0.3
177.05472	100.0
178.05840	3.1
179.07039	4.3
179.08528	0.5
180.07820	2.9
181.08568	2.0
182.09421	2.1
185.05968	0.5
186.03122	2.4
186.05664	0.6
187.07579	0.5
189.05481	0.4
189.07059	0.3
191.05498	0.5
191.07053	3.2
192.06482	10.8
192.07791	1.4
194.05876	0.4
194.08061	0.4
201.05472	68.6
202.05791	2.3
203.06992	0.7
206.08145	0.4
207.06512	0.9
209.08081	7.3
210.08856	2.7
213.05455	4.1
215.07082	1.9
219.06325	0.3
219.08211	0.5
220.05185	0.5
221.05984	0.5
230.08081	0.5
231.06514	5.3
233.08159	0.4
235.07555	0.8
241.08453	0.4
246.06859	0.3
247.07680	0.4
252.07680	0.3
253.08554	0.5
263.06982	0.5
264.07874	0.4
265.08502	0.3
266.05777	0.3
270.11121	0.4
276.07666	0.3
277.08582	0.5
280.07358	0.5
283.09671	0.5
284.12579	0.4
291.06473	0.3
295.09628	0.9
303.06424	0.4
307.09598	0.5
312.12305	28.2
313.12817	1.3
314.13898	5.8
315.14255	0.4
323.09259	0.5
335.09158	0.9
335.37869	0.3
337.10712	0.6
338.13864	2.0
350.13971	0.5
355.11789	5.6
367.11752	2.4
385.13004	2.1
386.99362	0.3
472.17410	0.8
492.20212	8.7
493.20398	1.1
504.20880	1.2
517.79071	0.3
522.21265	5.3
523.21771	0.5
540.21082	1.7
540.28491	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01901	0.7
56.84323	0.6
56.95921	0.7
60.33131	0.7
61.02916	0.8
69.03416	1.8
69.66462	3.4
75.30014	0.8
78.04694	0.8
79.05467	1.8
81.03413	0.8
85.02910	6.7
91.05486	6.0
96.44446	0.7
97.02866	1.1
100.11240	1.5
103.05499	4.1
105.07043	1.1
107.04958	3.9
114.09281	0.8
115.05447	6.5
116.06234	2.8
117.07031	4.7
121.06506	1.8
122.03625	1.5
123.04420	2.2
127.03948	1.2
128.06226	3.0
129.07010	14.8
131.04924	6.0
131.08559	15.6
133.06477	1.2
137.05989	12.0
138.06282	1.0
141.06984	6.2
143.04961	3.2
144.05698	14.1
145.05096	1.2
145.06465	5.1
147.08046	2.8
149.09602	0.8
151.03903	0.7
153.01868	1.1
154.06267	0.8
155.05959	1.2
157.06505	9.3
158.07283	1.3
159.08052	26.3
159.09386	1.4
160.05157	4.2
160.08414	1.3
161.05966	1.2
163.07501	1.5
167.07045	20.6
167.42056	0.6
169.06364	1.3
169.07639	3.6
172.05180	2.3
173.05957	1.1
174.06737	2.9
175.07538	16.2
176.07892	0.7
177.05487	2.1
177.09077	2.2
180.08696	2.0
183.03127	0.7
187.07541	31.7
188.07907	1.0
189.09116	10.7
191.07063	1.5
192.07802	2.6
193.08563	2.4
204.07814	2.2
205.08574	3.3
207.10149	9.6
215.93724	0.7
219.10164	62.4
220.10490	2.9
237.11214	100.0
238.11563	3.2
343.15289	0.9
540.40546	1.1
541.18884	2.6
559.14777	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38772	2.7
69.44315	13.1
69.44718	4.5
73.16737	2.9
98.23277	6.0
99.93747	3.0
129.06905	3.4
131.08585	8.3
135.71887	2.7
137.06044	2.9
141.06992	4.9
157.06503	6.4
159.08119	7.7
169.06476	3.9
174.06773	10.3
189.09137	25.8
201.09116	7.8
209.08044	3.7
219.08043	4.8
219.10170	100.0
240.90550	3.0
251.01160	2.8
276.02811	3.1
393.48215	3.6
459.12198	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.7
61.14596	0.8
62.89474	0.9
69.03423	1.3
69.23904	6.4
79.14275	1.0
85.02915	5.7
85.74850	0.9
88.96490	1.0
91.05501	2.9
97.34312	1.0
102.01579	0.9
103.05480	1.1
103.24437	0.8
115.05430	1.1
118.54447	1.1
119.04986	2.5
123.04458	1.0
128.06224	1.8
129.07016	8.3
131.00397	1.0
131.04903	1.6
131.08585	6.9
137.05971	14.9
141.06985	5.5
145.06454	2.0
149.05980	1.7
151.07539	15.3
151.08633	1.5
151.29782	1.0
157.06494	7.2
158.07341	3.9
159.08040	5.3
160.05208	1.2
161.05989	2.0
161.09683	1.6
163.07594	4.2
165.09117	1.3
167.08600	1.8
169.06499	2.8
170.07246	1.1
174.06781	13.1
175.07530	3.1
177.09206	1.3
186.06786	3.0
189.09120	31.6
191.10707	2.8
195.08121	3.4
201.09109	9.8
207.10118	1.1
219.10172	100.0
220.10548	3.7
221.05963	1.1
221.09691	1.8
223.07626	2.0
224.08553	1.1
227.10692	6.0
253.08597	1.4
255.10136	5.3
276.30313	1.0
285.11206	2.8
287.12772	11.5
313.14365	8.9
331.15350	23.7
332.15726	2.4
337.50626	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.9
69.03425	0.7
69.21531	2.2
69.21938	0.9
73.02902	0.6
81.03385	0.7
83.90820	0.4
85.02939	0.4
91.05468	0.8
103.05453	0.6
115.05419	0.7
121.06499	1.0
128.06221	0.9
129.07011	4.2
131.04941	0.9
131.08565	6.3
137.05977	1.3
141.06999	3.4
143.04921	0.6
143.08636	0.7
144.05696	0.9
145.06418	0.6
151.03865	0.6
153.01833	5.1
157.06509	4.9
158.07230	2.1
159.08061	6.2
160.05206	1.0
161.05974	0.6
161.09596	0.8
167.07039	1.2
169.06509	2.7
170.07309	0.9
171.02850	0.6
172.03995	0.5
174.06767	11.5
175.07539	3.3
177.05475	0.8
181.05037	0.7
186.06726	2.3
187.07500	0.7
188.08279	1.3
189.09114	22.0
190.09456	0.7
191.07092	0.5
191.10626	2.0
201.09117	8.3
204.06511	1.0
207.10210	0.6
219.10170	100.0
220.10512	3.8
221.11787	0.7
237.11305	3.1
253.36307	0.5
325.11542	0.6
364.95609	0.6
541.16492	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36211	5.9
69.36620	2.0
70.39118	1.2
85.02892	2.1
91.05482	4.5
98.23286	2.4
103.05481	7.9
113.37626	1.3
117.07015	2.0
119.04925	1.5
121.06527	1.5
121.42425	1.5
122.03653	2.7
123.81868	1.4
131.04950	16.7
131.67204	1.2
134.22182	1.2
137.05994	24.2
149.05980	2.3
151.07553	15.1
157.06557	1.5
161.05930	2.2
163.07553	44.0
167.08475	1.4
175.07571	4.1
175.73569	1.2
177.09122	100.0
178.09497	4.0
189.09135	4.9
193.10210	1.3
195.08060	2.9
195.10121	2.1
207.10249	1.4
217.55687	1.3
221.11757	15.1
222.41006	1.2
226.71442	1.3
227.10722	3.0
255.10077	2.7
281.11594	1.6
285.11292	2.0
287.12820	9.2
313.14407	5.8
331.15430	16.4
332.15723	1.6
383.30630	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
60.50149	0.5
69.03411	1.6
81.03425	0.6
85.02911	5.1
91.05474	0.8
92.39724	0.4
97.02890	1.8
99.04428	0.5
115.05440	0.9
127.03931	0.9
128.06219	0.9
129.07016	5.9
131.04846	0.6
131.08578	6.2
132.08833	0.6
137.05978	1.8
141.06981	4.8
144.05678	0.6
145.04982	0.8
145.06471	0.7
153.24187	0.4
157.06496	5.2
158.07314	2.3
159.08061	6.3
160.05263	0.7
162.07646	0.6
163.07553	0.7
169.06497	3.0
170.07242	1.4
173.05881	0.6
174.06778	11.4
175.07602	2.9
180.08638	1.0
186.06757	3.0
188.08293	0.6
189.09116	26.2
190.09428	0.8
191.10658	1.7
201.09119	8.7
207.10097	0.5
219.10175	100.0
220.10530	3.3
237.11336	1.3
306.98157	0.4
381.15494	0.7
497.92770	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
53.47833	2.7
54.33269	2.8
57.03439	4.7
59.68822	2.3
69.03425	11.3
69.96413	9.5
75.04482	8.4
79.05491	20.2
81.03413	7.4
81.47770	2.3
85.02908	7.6
91.05469	15.8
93.07047	100.0
95.04977	5.5
97.02894	8.8
99.04461	2.6
103.30618	2.9
105.07030	11.1
107.08597	17.5
109.02875	2.9
111.08089	5.4
119.08591	17.7
121.06548	4.5
121.10148	90.8
123.04436	13.9
127.03920	5.5
131.08560	6.3
139.11227	3.3
143.03395	2.6
149.09610	15.7
153.01851	7.6
167.10698	23.2
177.05516	6.9
193.08644	3.1
293.13867	4.7
311.14880	7.1
327.12189	4.1
389.15860	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	541.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09752	0.5
53.09970	0.5
64.84247	0.5
67.28661	0.4
69.01760	0.5
69.03429	2.1
70.56135	1.1
85.02921	0.5
93.07063	2.1
94.07396	0.6
97.02911	3.3
97.88231	0.5
106.78901	0.5
112.57574	0.5
119.01064	2.2
121.08669	0.5
121.10156	2.0
122.10487	0.5
167.10794	0.5
179.03163	4.7
181.04791	1.6
239.05266	6.4
324.02399	7.4
325.03143	7.2
541.09546	100.0
542.09875	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	541.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01870	3.2
55.05511	16.0
57.03440	3.0
59.43455	1.2
65.03948	1.7
67.05505	24.7
69.03417	2.6
69.07071	6.2
71.05009	2.2
71.13917	1.3
75.84930	1.2
79.05496	20.7
81.03410	5.1
81.07059	22.2
83.04973	2.8
83.08626	9.1
91.05480	23.1
93.07042	17.0
95.04970	15.0
95.08608	13.3
97.06518	3.8
97.10168	7.7
98.98446	10.8
103.05494	1.5
105.07035	20.0
106.07347	1.3
107.04956	9.6
107.08588	10.5
109.06502	5.3
109.10169	3.9
111.08081	2.0
115.05466	1.7
117.07018	13.3
119.08580	11.9
121.06519	9.5
121.10143	5.2
123.08070	4.5
125.09618	6.1
128.06232	3.3
129.07011	11.5
131.04929	2.2
131.08572	14.6
133.06473	7.5
133.10114	7.1
135.08052	5.6
135.11708	3.8
141.07021	5.2
143.08578	6.4
145.06497	10.5
145.10110	7.6
147.08054	8.5
147.11702	2.7
149.09612	4.6
151.11180	1.4
153.09044	2.8
154.27829	1.3
155.01097	2.3
155.08571	7.2
157.06458	1.4
157.10135	5.5
159.08066	4.0
159.11726	3.8
161.09671	3.4
161.13222	2.0
163.11180	2.4
167.08574	3.6
169.06500	1.6
169.10132	4.2
171.08031	4.4
171.11703	3.5
173.09647	2.6
173.13246	2.3
175.07454	1.4
175.11165	1.6
181.10094	2.9
183.07994	1.8
183.11684	3.5
185.09662	1.8
185.13278	3.0
187.11171	2.4
189.09125	2.6
189.11194	2.7
195.11702	2.3
197.09500	1.8
197.13307	3.4
199.14807	2.9
206.98457	1.2
207.11696	2.1
209.13300	2.0
211.11119	1.4
213.12851	1.7
217.15875	2.7
225.12744	2.0
243.13908	1.9
255.17464	3.1
257.15378	2.5
273.18527	1.8
287.16211	1.5
323.23859	1.6
333.22238	1.9
341.24878	2.3
351.23230	12.4
369.24292	25.3
370.24564	2.5
387.25275	9.2
388.25784	1.7
389.24496	2.1
407.25800	4.1
425.26904	4.2
443.27924	100.0
444.28168	9.6
541.09796	6.1
541.33496	6.7
542.10089	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	541.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28394	0.4
57.07079	1.5
65.79902	0.4
67.05489	0.5
69.10527	1.3
69.10947	1.6
70.06581	0.8
71.08639	0.5
79.05496	0.7
81.07042	0.4
88.07629	0.5
95.08596	0.5
98.23367	0.7
102.09184	0.6
105.07045	0.5
123.27294	0.4
193.62785	0.4
203.05278	1.0
256.26407	1.9
257.26721	0.5
259.07816	0.6
283.26196	0.6
311.29510	1.5
312.29639	0.7
350.25494	0.4
356.25992	0.4
401.12750	0.4
443.17630	0.4
540.53711	2.6
541.33417	100.0
541.52625	3.3
542.33820	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	541.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03946	9.0
55.01873	15.8
55.05513	42.6
57.03434	5.9
57.07075	2.5
61.47632	1.2
64.63840	1.1
65.03947	4.8
67.05508	68.7
69.03426	3.7
69.07069	29.8
69.71816	4.1
71.04992	5.2
77.03922	1.8
79.05494	63.6
81.03419	66.3
81.07058	99.5
83.04985	10.7
83.08619	28.2
85.06551	2.9
91.05485	60.3
92.05779	1.2
93.07044	44.7
95.01350	3.3
95.04970	31.6
95.08609	35.4
97.02909	2.1
97.06533	12.6
97.10170	12.8
99.08057	2.0
103.05462	2.5
105.04516	2.5
105.07034	58.7
107.04951	20.1
107.08600	25.3
109.06528	26.4
109.10149	13.3
111.08089	10.2
115.05462	4.7
117.07027	19.1
119.04976	1.6
119.08585	37.9
121.02896	4.2
121.06497	10.9
121.10148	18.8
123.04441	3.5
123.08076	7.8
123.11706	6.3
125.05976	1.4
125.09600	9.1
128.06245	4.6
129.07028	17.7
130.07785	2.3
131.04933	1.5
131.08571	31.5
131.09496	2.0
133.06496	8.0
133.10127	28.3
135.04514	1.9
135.08035	7.6
135.11700	8.3
137.09610	6.2
137.13191	1.1
141.06955	6.2
142.07803	3.5
143.08540	11.2
145.06442	8.1
145.10123	22.5
147.08063	8.8
147.11673	20.8
149.05971	2.2
149.09625	10.7
149.13290	6.8
151.11232	2.6
153.09103	1.5
154.07785	1.7
155.08606	6.3
157.06538	3.5
157.10120	15.3
159.08012	6.5
159.11690	13.7
161.05911	1.7
161.09619	6.1
161.13289	4.8
163.11145	7.4
163.14796	2.5
165.12781	4.4
167.08577	2.8
169.10207	6.1
171.08095	4.1
171.10469	1.5
171.11682	7.9
173.06052	1.2
173.09631	7.0
173.11981	1.5
173.13326	5.1
175.11174	8.4
175.14839	1.4
177.09253	1.5
177.12778	4.0
179.14320	6.2
180.09134	1.2
181.10146	2.7
183.08070	2.4
183.11693	7.3
185.09657	4.0
185.13312	4.3
187.11208	3.2
187.14867	2.1
189.09138	1.5
189.11259	3.8
189.12753	1.5
191.10652	2.2
193.10403	1.8
193.12274	13.8
195.11725	4.2
195.13654	1.1
197.09621	2.8
197.13324	2.7
199.11179	3.9
199.14844	1.9
201.12816	3.0
203.14363	1.5
205.12225	3.4
206.13037	3.5
207.11673	3.8
207.13708	2.7
209.13309	1.7
211.11230	3.1
211.14896	2.1
213.12834	3.3
213.16409	2.1
215.17992	1.6
219.11641	1.4
219.13858	1.4
219.17528	1.7
221.13354	1.9
223.11195	1.3
223.13257	1.6
227.14417	1.9
229.19702	2.5
231.13870	1.5
235.14870	1.3
239.18036	1.3
241.15900	1.7
247.20638	3.8
249.14897	2.3
257.19016	6.7
259.17218	2.2
267.15939	1.8
273.18643	3.4
275.20062	58.1
276.20517	1.9
285.18439	1.4
287.16544	2.4
293.21140	5.9
297.22171	3.5
299.20053	3.8
308.42670	1.3
313.21469	1.9
315.19839	1.6
315.23236	2.9
325.21756	1.5
331.22803	2.7
337.21753	1.4
339.23212	2.4
341.21298	1.6
355.22726	3.2
357.24356	1.7
369.24481	1.2
371.25766	1.7
377.42346	1.3
379.22852	1.5
397.23383	1.6
421.30890	2.9
431.29456	5.3
439.32083	3.0
449.30624	17.9
450.30893	1.7
467.31552	30.7
468.31845	1.7
472.28302	1.6
485.32520	12.1
523.34509	6.5
541.35248	100.0
542.35529	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	541.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	17.4
55.01868	12.6
55.05511	27.3
57.03461	3.1
65.03927	5.3
67.05508	58.1
69.03437	5.3
69.07069	37.4
71.04993	3.6
71.29263	2.7
79.05063	5.5
79.05497	64.0
81.03423	100.0
81.07059	77.7
83.04988	7.8
83.08627	26.2
86.74716	2.5
91.05486	76.3
93.07042	38.2
95.01347	16.7
95.04975	33.8
95.08615	37.7
97.02961	3.2
97.06515	18.1
97.10159	6.4
103.05492	4.7
104.10764	4.5
105.04535	2.7
105.07034	84.8
107.04963	32.3
107.08617	20.9
109.06519	17.0
109.10149	12.6
111.04465	3.1
111.08074	9.4
115.05483	5.3
117.07027	18.3
119.08598	46.7
121.06545	9.4
121.10184	13.6
123.04440	2.8
123.08067	5.2
123.11748	3.3
129.07004	15.2
130.37833	2.7
131.08562	30.7
133.06529	6.9
133.10129	42.0
135.11644	7.3
137.09624	3.3
141.06981	3.2
142.07755	4.7
143.08582	10.4
145.10124	27.2
146.98203	3.1
147.08055	3.9
147.11716	24.4
149.05914	2.7
149.09615	15.8
149.13301	8.6
155.08554	4.3
157.10133	10.1
159.11714	11.9
161.13213	5.7
163.11243	6.4
165.09334	2.8
169.10191	6.1
171.11636	4.5
173.13306	4.1
175.11198	8.3
177.12744	4.6
179.14304	17.0
187.11256	3.9
193.12280	13.7
219.17535	3.6
224.98370	2.7
229.19609	3.8
241.14354	4.1
247.20500	3.3
249.14970	4.4
257.18964	8.1
267.15979	5.1
268.67776	3.0
275.20096	93.5
276.20313	3.3
293.21127	7.8
369.24234	3.0
443.27805	9.3
467.31467	3.7
481.48529	3.7
541.09412	4.7
541.35413	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	541.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	0.7
67.05493	0.6
69.07090	0.4
69.28751	1.4
69.29177	1.1
70.06574	0.4
71.52474	0.3
73.14236	0.4
79.05491	0.5
81.07071	0.5
98.23355	0.7
189.22751	0.4
248.17349	0.4
256.26419	1.4
298.33087	0.3
311.29480	1.0
436.47668	0.4
540.53528	1.2
541.37122	100.0
542.37427	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.7
51.02378	2.5
51.70556	0.5
53.03720	0.6
53.03952	8.8
55.01875	3.8
55.05511	28.2
56.57756	0.5
57.03441	3.0
57.07079	3.2
65.03940	5.1
67.05506	80.5
68.05850	1.0
68.99729	1.6
69.00150	3.1
69.03436	2.3
69.07069	18.2
70.06591	0.8
71.05000	3.0
71.08631	1.3
73.06558	1.3
75.73257	0.5
77.03941	2.1
78.04716	0.7
79.05494	100.0
80.05830	1.5
81.03419	8.9
81.07057	67.1
82.07394	1.0
83.04984	12.3
83.08618	7.9
85.06528	2.7
88.07641	1.2
91.05482	72.9
92.05814	1.4
93.07045	80.7
94.07386	1.8
95.04972	19.1
95.05562	1.2
95.08607	44.6
96.08987	0.7
97.02914	0.7
97.06540	3.9
97.10162	2.8
99.08098	0.9
102.09186	1.0
103.05465	2.4
105.04529	4.2
105.07034	47.2
106.07359	1.3
107.04960	6.7
107.08595	28.2
109.06504	5.8
109.10148	12.2
111.08081	2.5
113.09562	0.7
115.05465	2.1
116.06258	0.7
117.07021	13.6
119.06057	0.8
119.08585	26.8
121.06513	2.2
121.10141	20.3
123.08057	5.0
123.11725	2.9
125.09618	1.2
128.06221	3.4
129.07011	15.1
130.07826	1.0
131.08571	11.9
133.06506	1.2
133.10133	13.7
135.08116	0.6
135.11699	10.5
137.09573	0.9
137.13303	0.6
141.06981	1.2
142.07744	1.1
143.08563	9.4
145.10120	14.1
147.08044	2.3
147.11693	30.0
148.11972	1.0
149.13264	4.0
155.08556	2.3
156.09323	1.2
157.10172	2.7
159.11691	4.9
161.09680	3.1
161.13252	12.3
163.11142	0.8
163.14789	1.2
169.10153	2.8
171.11691	22.0
173.13304	3.3
173.63126	0.6
175.14818	1.1
179.14346	0.8
181.10240	0.9
183.11729	2.7
185.13260	1.5
187.14867	2.2
189.12756	8.7
192.16019	0.6
193.10155	0.7
195.11673	1.1
197.13313	1.8
199.14836	1.2
207.11853	1.4
207.13809	21.9
208.14091	0.8
209.13391	0.8
211.14833	0.9
215.17953	0.8
225.14851	1.7
243.21082	0.9
256.26434	1.5
257.26672	0.6
259.20663	0.6
261.22205	3.8
279.16013	0.7
279.21124	0.7
281.17511	2.1
311.29422	0.9
312.29745	1.3
317.24738	1.1
419.26715	0.7
431.33524	0.9
443.36438	0.8
447.05304	0.6
449.34119	0.8
467.34879	0.7
504.04709	0.6
523.37402	1.5
540.53339	0.9
541.38879	55.1
541.53699	5.4
542.39166	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	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.7
53.03951	9.5
55.01873	3.7
55.05511	24.4
57.03444	2.7
57.07074	3.6
57.98336	1.2
60.89418	1.2
63.25413	1.3
63.86159	1.4
65.03940	6.0
67.05507	76.6
67.75375	1.6
69.03422	1.6
69.07069	17.1
71.04996	4.8
71.28285	1.3
79.05495	100.0
81.03425	9.5
81.07058	70.3
83.04998	9.3
83.08613	10.4
89.06047	1.3
91.05481	66.1
92.05814	1.3
93.07045	84.7
95.04978	20.6
95.08609	44.9
96.08974	1.3
97.02883	1.4
97.06548	4.4
97.10170	4.9
103.05490	1.4
105.04531	4.0
105.07031	47.5
107.04966	6.1
107.08600	35.8
107.09290	2.7
109.06541	5.9
109.10147	10.5
111.08118	2.0
115.05461	1.4
117.07014	14.0
119.08576	30.5
121.06516	2.3
121.10145	21.3
123.08087	4.6
123.11723	2.3
127.16171	1.3
128.06226	5.0
129.07005	13.6
131.08583	15.0
131.47273	1.3
133.06450	1.4
133.10141	18.8
135.11711	10.5
137.09654	1.4
141.07016	2.3
142.07890	1.2
143.08586	12.3
145.10135	15.1
147.07996	1.3
147.11703	29.5
147.12878	1.5
149.09683	1.8
149.13295	3.2
149.31970	1.4
155.08638	2.1
157.10149	3.2
159.11696	5.6
161.09644	3.6
161.13269	13.1
163.14827	1.7
169.10149	2.4
171.11702	25.4
173.13301	2.3
183.11711	2.9
185.13335	2.2
187.14751	2.2
189.12781	8.7
195.11768	1.8
207.13821	21.2
208.14252	2.0
211.14764	1.6
256.26331	1.5
261.22235	4.6
275.20190	2.2
312.29889	1.4
317.24863	1.4
431.33206	1.8
449.34088	2.3
467.34604	2.1
485.36298	1.6
541.38989	61.1
541.53876	4.2
542.39880	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	542.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01871	1.3
55.05272	0.8
55.05514	8.9
61.02935	0.7
67.05495	1.4
69.03445	2.8
69.07074	6.4
69.68221	0.5
70.06589	1.2
71.04967	0.8
71.28834	0.5
71.29279	1.0
79.05495	0.9
79.62149	0.4
81.03429	8.2
81.07040	0.5
83.08624	21.7
85.02911	3.9
86.09721	0.8
91.05462	0.9
93.07034	2.1
94.25604	0.5
95.04995	0.6
95.08598	0.9
97.02894	4.3
97.06487	0.7
99.04442	1.9
103.05462	0.9
104.04960	0.7
108.04461	0.7
109.02885	6.1
109.06541	0.5
109.10146	0.6
110.09650	0.6
111.08084	6.7
120.08067	0.9
121.06515	0.6
123.04399	1.6
127.03922	4.1
129.09174	1.0
129.10132	0.4
131.04919	2.2
132.04462	8.2
136.03952	1.4
137.05997	4.0
138.09164	1.1
139.03893	0.7
139.07555	2.1
145.04913	0.7
157.08601	3.8
160.03967	9.4
163.07533	1.4
164.03430	10.2
165.09167	0.6
166.08665	1.5
175.09668	12.9
178.04997	100.0
179.05400	3.1
202.04984	0.9
202.67899	0.4
206.04480	17.9
220.06030	2.1
224.05548	35.8
225.05888	1.5
244.05774	0.5
245.06334	0.9
248.05438	0.9
266.06583	0.7
269.47308	0.5
277.17883	0.8
283.11710	1.8
286.07245	1.0
295.18814	1.4
301.12857	3.9
314.06622	1.3
316.11786	2.6
332.07916	0.7
340.06085	0.6
340.10284	1.0
344.11487	0.7
359.12024	0.5
362.12262	3.2
380.12900	0.5
385.02228	0.5
386.10812	2.7
416.08798	0.5
422.14575	0.7
442.14734	0.7
457.23889	1.2
460.16025	0.6
463.45087	0.5
470.14252	1.2
478.63449	0.6
488.15448	0.6
492.17581	0.6
496.18179	0.9
499.25055	3.2
506.16284	0.8
525.22931	0.7
542.11835	1.0
542.19507	0.8
543.24347	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	542.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
53.25673	1.0
55.01877	1.4
65.03944	1.3
70.06590	2.0
79.05511	2.5
84.92175	1.1
85.02923	2.5
91.05492	6.6
93.07046	8.7
95.04980	1.6
97.02913	1.4
102.39315	1.1
103.05482	4.9
105.07047	1.5
119.08581	1.6
121.06516	27.3
123.04437	1.2
137.05966	2.1
139.03922	1.7
147.04391	1.5
149.05984	11.4
151.03871	1.2
153.01822	6.6
156.74582	1.0
165.09123	5.5
166.06273	5.0
167.06963	1.2
175.11859	1.1
177.05493	25.8
178.05943	1.2
181.05025	24.6
181.08603	100.0
182.08994	2.1
204.24219	1.2
209.08104	10.9
263.70685	1.1
278.88794	1.1
315.08533	1.8
363.09821	2.1
363.14417	40.3
364.14639	1.7
542.30408	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	542.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
54.53921	1.4
55.01873	1.7
57.03426	2.2
69.03442	4.5
69.45045	8.3
70.06596	6.4
79.05500	8.9
81.03421	23.2
83.04967	6.2
83.05393	1.6
85.02912	3.4
86.09710	3.8
91.05461	14.2
93.07042	17.8
95.04992	2.7
97.02901	6.2
98.22677	3.2
98.97578	1.8
99.04462	2.1
103.05470	1.9
105.07045	5.0
107.04961	4.2
107.08606	8.4
108.04452	1.5
109.02871	6.0
115.05479	2.9
117.07024	100.0
118.07325	1.7
119.08584	11.3
120.11460	1.4
121.06541	7.0
121.10172	11.8
123.04449	3.6
127.03925	4.5
131.04904	3.0
131.08585	14.6
133.06479	6.5
135.08055	20.4
137.05981	22.2
149.09639	14.5
151.07570	2.6
153.01810	3.4
153.05530	2.3
159.08060	10.1
161.05963	2.6
163.07542	27.1
167.10670	2.6
171.47655	1.6
177.09106	29.2
179.07111	1.6
181.08606	1.5
187.07547	3.8
195.10182	23.4
205.08623	20.2
223.09634	30.9
241.10704	35.2
249.07608	2.2
295.13300	2.9
327.15900	4.4
349.12732	2.9
367.13882	8.0
434.71817	1.6
560.50684	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	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.2
59.84411	2.7
67.05499	3.4
69.03432	7.0
69.07047	4.1
69.67416	8.0
70.30786	2.8
74.65839	3.5
79.05468	4.7
81.07069	5.5
84.36056	3.3
85.02914	7.2
86.54980	3.0
91.05483	14.7
93.07063	16.9
95.04988	4.6
95.08632	5.6
97.02928	6.0
103.05473	7.5
105.07029	4.5
107.04961	6.3
107.08604	4.9
117.03392	12.1
118.03693	6.3
118.19179	2.8
119.22438	3.0
121.06522	41.7
122.06830	19.4
123.04414	5.4
131.02716	3.7
133.10152	4.8
133.36539	4.1
137.06009	7.6
141.36142	3.2
142.88112	3.9
145.02835	19.9
145.10144	7.2
146.03206	10.3
147.11674	4.7
149.05981	15.8
149.09595	5.0
150.06345	4.8
153.01817	15.2
155.08562	5.4
157.10147	4.1
159.11786	5.2
161.13289	3.2
165.09126	25.7
166.06264	3.4
167.07045	8.2
168.07285	3.9
169.10172	8.7
171.11652	3.8
173.09641	3.6
177.05479	60.6
178.05830	25.3
179.06017	12.4
181.05084	15.4
181.08621	65.8
181.10167	6.1
187.07457	3.4
197.09601	6.6
197.13289	13.3
201.05545	19.4
202.05846	16.2
203.06017	9.4
207.11705	6.2
209.08098	4.4
211.11313	4.1
211.14853	7.0
213.11156	5.2
225.12749	13.9
225.16310	16.8
235.14922	9.3
243.17462	14.0
253.12216	27.5
253.15878	41.4
255.17432	7.2
271.13510	9.3
271.16959	37.5
281.15292	22.9
299.16440	100.0
300.16837	5.4
312.12390	6.9
313.12537	5.9
314.13031	11.9
317.17410	67.0
327.15906	23.2
345.17014	41.8
363.14267	25.9
363.18115	27.4
471.61722	3.6
494.21045	6.2
524.22888	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	542.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
53.30540	3.2
54.78713	3.2
55.05498	6.5
67.05510	10.4
69.03446	23.2
69.07074	10.7
69.70410	16.1
70.06596	5.8
71.04977	5.2
77.67264	3.5
79.05503	20.8
81.03412	25.1
81.07064	42.4
83.04971	9.6
84.04517	4.9
85.02930	8.1
85.06564	5.8
91.05479	18.3
93.07047	51.6
95.04980	12.0
95.08610	19.1
95.99784	2.9
97.02903	14.3
97.06520	20.8
98.22655	5.0
99.04458	13.0
105.07043	43.2
107.04985	11.0
107.08598	30.2
108.05309	4.0
109.02869	19.6
109.06539	23.2
109.10176	9.6
109.35817	3.4
111.04437	3.6
111.08104	3.8
115.03999	3.5
117.07040	3.5
119.08595	31.4
121.06518	34.2
121.10152	10.4
123.04448	9.8
123.08065	6.7
123.11766	5.5
125.06052	3.4
127.03918	26.6
127.07555	10.3
129.07007	5.1
131.08557	10.2
133.06512	6.4
133.10153	12.7
135.04410	4.1
135.08080	11.1
137.05968	8.6
137.09570	5.4
139.03902	5.9
139.07582	12.8
142.07811	4.8
143.07005	5.2
143.08598	8.0
145.10136	14.6
147.07983	6.4
147.11699	66.7
149.13300	6.6
151.07599	3.0
156.09288	4.5
157.10159	14.0
161.09659	4.5
161.13269	7.9
165.12753	32.1
171.10349	3.2
171.11668	17.0
172.97379	3.7
173.09657	4.0
173.13306	4.1
175.11168	20.5
183.13634	3.6
189.12793	20.4
191.14429	5.0
193.12221	22.2
199.11235	15.7
207.13853	19.3
209.15388	7.9
215.10663	4.3
217.12242	54.8
221.67542	3.1
229.14348	8.4
235.13292	79.7
236.13715	4.2
253.14363	47.6
258.85794	2.9
309.02234	3.4
319.15338	5.2
327.03586	3.5
337.16162	4.2
343.15494	6.9
345.04562	100.0
361.16293	8.2
363.05582	27.4
369.04041	4.5
379.17523	26.5
387.05676	23.6
397.18484	11.8
399.05627	4.3
405.06573	12.2
411.05551	7.8
423.05515	8.6
450.70328	3.4
453.06696	6.2
483.07632	6.2
542.22711	42.5
542.30188	12.5
543.22626	4.1
543.31000	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	542.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
53.30540	3.2
54.78713	3.2
55.05498	6.5
67.05510	10.4
69.03446	23.2
69.07074	10.7
69.70410	16.1
70.06596	5.8
71.04977	5.2
77.67264	3.5
79.05503	20.8
81.03412	25.1
81.07064	42.4
83.04971	9.6
84.04517	4.9
85.02930	8.1
85.06564	5.8
91.05479	18.3
93.07047	51.6
95.04980	12.0
95.08610	19.1
95.99784	2.9
97.02903	14.3
97.06520	20.8
98.22655	5.0
99.04458	13.0
105.07043	43.2
107.04985	11.0
107.08598	30.2
108.05309	4.0
109.02869	19.6
109.06539	23.2
109.10176	9.6
109.35817	3.4
111.04437	3.6
111.08104	3.8
115.03999	3.5
117.07040	3.5
119.08595	31.4
121.06518	34.2
121.10152	10.4
123.04448	9.8
123.08065	6.7
123.11766	5.5
125.06052	3.4
127.03918	26.6
127.07555	10.3
129.07007	5.1
131.08557	10.2
133.06512	6.4
133.10153	12.7
135.04410	4.1
135.08080	11.1
137.05968	8.6
137.09570	5.4
139.03902	5.9
139.07582	12.8
142.07811	4.8
143.07005	5.2
143.08598	8.0
145.10136	14.6
147.07983	6.4
147.11699	66.7
149.13300	6.6
151.07599	3.0
156.09288	4.5
157.10159	14.0
161.09659	4.5
161.13269	7.9
165.12753	32.1
171.10349	3.2
171.11668	17.0
172.97379	3.7
173.09657	4.0
173.13306	4.1
175.11168	20.5
183.13634	3.6
189.12793	20.4
191.14429	5.0
193.12221	22.2
199.11235	15.7
207.13853	19.3
209.15388	7.9
215.10663	4.3
217.12242	54.8
221.67542	3.1
229.14348	8.4
235.13292	79.7
236.13715	4.2
253.14363	47.6
258.85794	2.9
309.02234	3.4
319.15338	5.2
327.03586	3.5
337.16162	4.2
343.15494	6.9
345.04562	100.0
361.16293	8.2
363.05582	27.4
369.04041	4.5
379.17523	26.5
387.05676	23.6
397.18484	11.8
399.05627	4.3
405.06573	12.2
411.05551	7.8
423.05515	8.6
450.70328	3.4
453.06696	6.2
483.07632	6.2
542.22711	42.5
542.30188	12.5
543.22626	4.1
543.31000	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	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
57.03442	9.1
60.03790	4.3
69.33206	27.4
70.06614	7.8
70.99606	5.0
79.05509	8.8
81.03429	10.9
85.02897	9.2
88.62418	4.3
91.05493	14.1
93.07059	7.8
103.05494	7.4
105.03410	54.4
105.06985	4.7
117.03336	5.1
117.07015	22.0
121.06525	11.8
122.03697	10.9
123.04460	12.4
125.02274	5.9
127.03938	11.2
131.04924	7.7
133.06503	23.8
135.08116	4.9
137.05988	100.0
143.03384	4.6
145.02902	5.2
145.06479	7.3
151.07513	8.8
153.01848	98.4
153.03015	5.7
163.07553	34.6
177.05563	12.7
177.09132	11.0
179.07039	81.5
186.10527	4.5
187.23459	4.2
189.09071	6.8
196.99011	4.6
203.05977	4.9
227.05478	58.3
295.13242	13.6
302.82861	5.0
312.61874	5.6
319.65192	5.6
327.15878	13.7
331.08295	5.4
543.23810	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	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01867	1.5
55.05513	7.3
57.07079	32.4
58.78036	0.5
59.05004	0.8
65.03950	1.1
67.05505	8.4
67.48074	0.5
68.66409	0.5
68.80171	0.6
69.03446	0.6
69.07071	5.1
69.15882	2.7
69.16290	1.4
71.08635	24.0
73.06552	7.8
79.05499	8.4
81.03432	2.0
81.07061	10.6
82.07417	0.7
83.05002	1.1
83.08624	5.0
84.08925	0.6
85.06576	0.8
85.10185	21.8
85.69750	0.6
86.46129	0.6
87.04472	4.0
89.06036	100.0
90.06364	0.9
91.05480	7.4
91.07603	0.9
93.07048	7.0
95.04967	2.7
95.08616	5.1
97.06540	1.9
97.10157	4.8
99.11736	5.4
105.07043	7.4
107.04959	2.5
107.07072	3.4
107.08598	4.1
109.06538	2.0
109.10168	2.0
111.08078	1.0
111.11738	1.0
113.13312	2.1
117.07012	2.5
117.09138	6.2
119.08563	4.9
119.09264	0.6
121.06468	0.8
121.10158	2.3
123.08064	0.9
127.87510	0.5
129.07050	1.4
130.08650	1.0
131.07039	2.1
131.08568	4.4
133.08609	49.2
133.10056	3.3
134.08951	0.8
135.08063	0.8
135.10196	0.6
135.11696	1.1
143.08559	1.8
145.10199	3.1
147.08095	0.9
147.11693	1.9
149.09644	1.2
149.13283	1.4
155.08578	1.0
155.17963	4.6
157.10104	0.8
159.11635	3.2
161.11775	0.9
163.11259	0.9
169.10254	0.9
171.11711	1.6
173.09639	0.7
173.13127	0.8
177.11224	18.0
179.14317	0.8
183.11633	1.0
187.06216	0.5
187.11337	0.7
187.14795	0.6
195.13892	0.5
197.13234	0.6
199.20602	5.9
209.11528	0.7
221.13808	4.1
227.90955	0.6
236.42340	0.6
239.15025	1.6
240.23227	0.7
243.23210	7.9
265.16522	0.8
275.20059	5.7
283.17432	1.5
287.25830	4.1
327.20163	1.8
371.22662	3.7
433.31094	1.2
451.32385	1.6
469.33340	0.9
479.81628	0.6
525.40643	6.3
542.36365	2.0
543.36816	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	542.443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	19.0
67.05486	18.4
68.19600	8.8
70.06584	21.5
71.08626	25.9
78.83952	8.2
81.07057	23.6
83.08634	9.8
88.07617	18.3
93.07037	18.1
93.73369	9.6
95.08562	11.5
98.23344	32.0
102.09229	11.5
107.08567	11.1
111.11761	10.1
120.67448	8.5
123.07919	9.2
141.33093	11.4
149.13231	10.9
241.47208	11.7
256.26343	33.0
257.26614	21.4
269.17407	26.3
311.29556	22.6
312.29776	15.3
313.27115	22.3
336.36676	10.7
507.40347	38.0
541.53851	52.2
542.46942	12.0
542.54291	100.0
563.74500	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02096	0.8
65.82448	0.7
66.80394	1.0
69.31181	0.8
70.65227	1.6
78.74773	0.8
94.93018	25.8
97.64258	0.9
178.34441	0.8
186.91719	1.4
202.89085	8.5
204.87042	21.0
206.88765	1.4
212.85275	4.1
248.89708	5.4
284.83704	0.9
294.26392	0.8
306.90216	4.1
314.90552	1.0
332.91779	2.7
344.85742	1.2
363.06882	2.8
381.07913	14.7
414.80414	7.1
415.00287	1.9
438.87961	1.0
442.85965	1.3
543.13214	100.0
544.13477	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	543.2213
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
52.15999	1.1
56.96576	5.3
71.29710	1.5
75.78680	1.0
79.05488	1.1
81.03382	1.1
83.22730	0.9
98.97587	3.6
115.00674	2.1
116.98621	1.6
120.80070	1.2
121.06617	1.1
127.93275	1.0
194.78464	1.1
209.08438	1.4
219.94600	1.0
227.09593	4.0
229.11324	1.4
252.39401	1.0
255.12625	1.3
267.12518	1.5
277.14661	1.6
279.12762	1.6
295.15823	12.8
295.87030	1.2
313.16544	1.4
337.16809	3.4
384.98962	1.0
404.15710	1.0
457.21127	12.4
499.22855	11.7
513.55615	1.1
525.21002	4.1
543.21887	100.0
543.31079	29.6
544.22266	7.7
544.30811	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	543.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.8
53.03950	0.6
55.01881	0.7
55.05512	0.3
65.03950	0.6
67.05516	1.8
68.99791	1.4
69.03426	0.4
69.07058	0.5
69.24757	0.8
69.25156	0.6
70.04472	0.2
71.01363	0.3
77.03951	0.6
79.05492	1.0
81.03434	0.5
81.07062	1.0
82.82409	0.2
83.04982	0.9
91.05490	1.1
93.03373	0.3
93.07043	1.5
95.04987	2.2
95.08620	0.6
97.02892	0.3
97.06514	0.8
98.23390	0.5
99.04458	0.3
105.03400	1.7
105.04501	0.4
105.07016	1.1
107.04973	0.6
107.08614	0.6
109.06513	0.6
109.10158	0.3
111.00826	0.8
111.04449	2.4
117.07061	0.3
119.04961	0.4
119.08595	0.8
121.02880	0.3
121.06530	1.5
121.10149	0.4
123.04433	100.0
124.04783	1.6
125.05983	0.4
127.03934	0.3
129.06903	0.3
131.08557	0.6
133.06451	0.4
133.10173	0.4
135.04436	1.5
135.08023	0.4
137.05942	0.5
139.03906	64.2
140.04243	0.9
143.07072	0.3
145.10139	0.3
147.04414	4.9
147.11681	1.1
151.03908	4.9
157.10095	0.4
161.06023	0.7
161.13229	0.4
163.03961	1.4
163.07582	0.9
165.01862	0.3
165.05489	0.9
165.12756	0.3
171.11636	0.3
173.09584	0.3
175.11169	0.4
181.06493	0.3
189.05515	1.3
189.12756	0.6
193.12349	0.4
199.07579	0.3
199.11198	0.5
207.13766	0.5
211.13338	0.3
217.12306	2.1
227.07158	0.3
235.13295	2.8
248.59903	0.3
253.14336	0.8
255.06496	0.7
273.07584	26.5
274.07910	1.0
291.08554	1.1
293.80457	0.3
355.31293	0.3
373.16293	0.4
381.25751	0.3
543.10632	0.3
543.19043	0.8
543.30371	1.0
543.38776	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	543.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55673	0.3
56.22212	0.2
61.02900	0.3
66.91982	0.3
67.05512	0.6
69.81110	1.1
75.23856	0.2
76.02222	0.4
78.89445	0.3
79.05515	0.3
81.03375	0.3
81.07075	0.3
83.91380	0.3
85.02906	0.6
88.25891	0.3
91.05491	0.5
93.07042	0.7
95.04969	0.3
97.02883	0.3
98.23317	0.5
103.05486	0.4
105.07067	0.5
120.08115	0.6
121.06521	2.5
131.04893	0.3
147.44858	0.3
157.06458	0.3
162.02231	0.3
174.05600	0.5
179.04961	0.3
185.39331	0.3
202.05002	0.6
202.08655	2.2
230.08147	0.6
258.46951	0.3
262.10764	1.3
280.95676	0.2
318.58307	0.2
337.19699	0.3
350.24789	0.3
351.25272	0.3
363.25171	0.7
381.26151	1.5
388.71097	0.6
389.21228	0.3
415.70728	0.3
499.23605	0.5
513.30334	5.6
514.31128	0.3
543.31384	100.0
544.23785	0.5
544.31702	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.6
54.77558	1.5
55.01874	5.5
55.05516	25.9
57.03438	5.4
57.07095	2.3
65.03960	2.4
67.05509	40.8
67.05840	2.8
68.81326	1.5
69.03438	3.4
69.07072	12.4
69.80768	7.1
71.04990	4.6
71.08651	4.7
72.68060	1.5
79.05499	33.2
81.03417	18.7
81.07066	41.6
83.04990	6.1
83.08624	13.9
84.82233	1.6
85.06535	2.4
86.09715	2.7
91.05489	33.7
93.07052	30.8
95.04994	10.5
95.08607	23.0
97.06542	6.6
97.10181	8.4
99.08134	3.1
105.07033	25.7
107.04983	6.0
107.08593	18.1
107.09160	1.6
109.06564	5.6
109.10162	13.3
111.08133	3.6
117.07018	17.5
119.08595	20.9
120.96700	4.5
121.06558	3.6
121.10155	11.1
123.08108	3.5
123.11726	3.9
125.09612	9.6
128.06247	3.7
129.07008	14.8
131.08577	20.9
133.10135	13.4
135.08095	5.1
135.11722	9.2
137.09714	2.6
141.07019	3.6
142.07811	3.3
143.08559	11.7
145.06525	3.7
145.10144	15.6
146.98289	1.8
147.08101	5.1
147.11710	10.0
149.09645	3.1
149.13307	4.2
151.11224	3.4
155.08586	6.9
157.10143	12.5
159.08102	3.3
159.11668	10.4
161.09729	2.3
161.13333	5.7
163.11206	2.2
165.12790	3.3
169.10162	7.3
171.08125	2.9
171.11711	9.7
173.09653	1.8
173.13348	4.5
175.11176	2.8
175.14909	1.6
179.14395	7.3
181.10207	2.4
182.11136	2.0
183.11713	4.7
184.07458	4.9
185.13351	5.8
187.11243	2.5
187.14894	3.2
189.11295	4.3
192.01070	1.6
193.12390	3.3
195.11771	5.4
197.13322	5.0
199.14912	3.7
207.99864	7.9
209.13310	3.0
211.14914	2.9
213.12932	1.9
215.14502	2.5
223.14952	3.3
227.12888	6.7
228.23184	3.2
229.23549	2.1
259.20660	5.2
267.15955	4.7
275.20193	3.4
277.21759	7.7
283.20651	4.5
285.18839	1.8
293.21469	1.9
297.22290	2.0
299.20761	1.8
299.23862	5.8
333.24188	2.3
415.30267	2.8
423.32776	3.7
433.31003	10.1
451.32037	12.9
469.32889	8.2
507.34839	2.0
515.37531	2.3
525.35846	23.2
543.36981	100.0
544.37463	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.7
51.02385	1.4
53.03946	6.0
55.01877	11.2
55.05518	26.2
57.03443	5.0
57.07074	2.7
57.91731	0.7
59.05016	0.8
65.03939	4.1
67.05510	60.7
69.03436	2.0
69.07073	31.3
71.05005	3.9
71.08641	1.0
77.03925	1.1
79.05499	53.5
80.05843	1.2
81.03426	9.1
81.07064	100.0
82.07372	0.9
83.04987	8.4
83.08628	17.7
85.06551	4.0
90.10619	0.7
91.05490	50.7
92.05801	0.9
93.07052	54.8
94.07391	0.8
95.01330	5.4
95.04978	13.3
95.08615	34.5
97.06538	20.5
97.10165	4.0
99.04469	0.8
99.08114	3.6
101.06010	0.7
103.05521	1.5
105.04523	2.7
105.07040	48.9
106.07358	0.9
107.04970	14.2
107.08602	30.3
109.06529	21.1
109.10173	10.2
111.04489	1.0
111.08083	5.8
113.09699	1.1
115.05465	2.1
116.06280	1.1
117.07022	16.3
119.08589	32.6
121.06516	5.3
121.10158	18.8
123.04436	1.2
123.08043	3.8
123.11695	4.8
125.09653	3.0
128.06230	0.9
129.06998	7.0
130.07768	1.0
131.04956	0.9
131.08577	22.2
133.06517	2.6
133.10144	30.9
134.10435	1.1
135.08072	5.7
135.11697	9.8
137.09642	2.4
139.07568	1.3
141.06987	2.0
142.07837	1.3
143.08549	6.2
144.09305	1.0
145.06522	2.4
145.10129	18.1
147.08061	2.3
147.11700	13.7
149.09633	7.0
149.13264	14.1
151.11230	3.5
155.08583	2.6
157.10152	6.6
159.08055	1.4
159.11691	13.5
161.08217	0.6
161.09619	1.8
161.13254	5.6
163.11177	5.9
163.14880	2.9
165.09233	0.9
165.12784	2.7
167.08636	1.1
167.10918	0.7
169.10150	4.0
171.11682	5.2
173.09663	1.7
173.13301	5.0
175.11229	3.0
175.14877	1.3
177.12796	4.3
179.14299	12.2
181.10115	1.0
183.11638	3.4
185.13351	2.4
187.11215	2.0
187.14853	2.5
189.12828	1.0
193.12315	2.8
195.11888	0.8
195.13849	3.6
197.13345	3.2
199.14877	1.2
201.12842	1.5
205.12190	1.1
207.13835	1.0
209.11559	1.0
209.13435	0.9
211.14928	0.7
213.16473	1.0
215.18120	1.3
216.70599	0.7
219.17482	1.8
221.13464	0.9
223.03395	0.7
227.12735	1.1
229.19604	2.9
233.13258	0.8
233.15485	1.5
239.18109	2.0
247.20572	5.1
251.16400	1.8
257.19031	6.9
258.19470	0.8
259.20645	1.3
266.63586	0.8
269.17487	1.0
273.21930	0.7
275.20084	74.3
276.20508	3.3
277.21790	2.3
279.16104	0.8
282.93198	0.8
293.21115	6.7
299.23883	2.3
313.21692	0.8
331.22757	1.3
349.23853	2.8
368.65649	0.8
415.30157	1.1
423.64886	0.8
433.31152	2.9
451.32294	3.6
469.33340	2.4
515.37018	0.8
525.35876	7.8
543.36865	65.6
544.37207	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	544.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28244	2.1
53.03946	6.1
55.01873	4.0
55.05511	5.5
57.03424	2.9
62.51089	2.1
67.05498	6.8
69.03431	16.3
69.07076	3.0
69.29256	5.2
69.29663	7.6
71.05000	6.0
79.05492	20.4
81.03430	18.3
81.07043	7.5
83.04998	5.3
85.02914	8.9
88.30647	2.4
91.05490	15.9
93.07050	38.2
95.04978	7.5
95.08602	3.6
97.02914	14.6
97.06521	2.8
99.04469	15.0
105.06314	3.3
105.07030	68.5
107.04951	4.7
107.08602	79.1
108.08858	2.5
109.02883	10.0
109.06528	5.8
111.04453	4.1
111.08054	2.7
117.07042	4.9
119.08574	22.8
121.06514	29.0
121.10152	31.1
123.04427	3.3
125.02370	21.8
127.03912	8.6
129.06976	2.3
131.08543	5.5
133.10135	2.5
135.08064	10.8
135.11694	16.1
139.03899	5.6
141.05385	2.1
143.08531	3.5
145.10127	52.4
146.10443	2.9
147.11710	6.0
149.02336	3.3
149.06004	3.9
149.09621	13.3
157.04970	27.2
158.05313	2.3
161.09613	2.7
163.09802	5.3
163.11186	100.0
173.09616	6.6
181.10800	2.8
181.12215	20.1
189.09023	2.7
191.10681	75.7
209.11713	34.7
215.03452	3.2
219.06438	2.6
223.06180	3.7
225.12694	2.1
227.12749	27.6
247.06033	16.8
265.07086	10.5
278.16425	2.2
299.12854	4.1
311.14774	10.0
317.13803	9.9
335.14877	25.1
353.15793	15.3
371.16583	2.8
515.09662	2.4
528.10059	2.5
544.21472	2.6
544.31970	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
54.15583	2.2
54.74100	2.7
55.01862	3.5
55.05515	8.6
57.46648	2.3
67.05509	10.1
69.03436	12.6
69.07076	4.7
69.28587	8.5
69.29005	7.4
71.05001	5.0
71.39406	2.4
73.98332	2.1
79.05502	21.9
80.95313	2.6
81.03414	18.8
81.07060	8.1
81.76653	2.2
83.04977	6.1
85.02915	8.2
85.06575	3.0
90.73747	2.4
91.05495	14.5
93.07047	40.8
95.04958	5.9
95.08628	4.4
97.02896	15.2
97.06514	4.3
99.04453	15.6
99.17200	2.4
105.07033	81.6
107.04961	3.9
107.08598	82.9
107.09288	5.2
109.02884	10.5
109.06533	6.8
111.04456	5.1
111.08031	2.5
117.07003	7.0
119.08563	21.6
120.08942	2.4
121.06494	26.0
121.10138	30.9
123.04416	5.3
125.02354	28.8
127.03927	10.8
129.07005	4.9
130.07767	2.5
131.08575	4.3
133.06450	2.5
133.10135	5.1
135.04520	3.3
135.08060	15.5
135.11679	18.3
139.03860	4.0
145.10130	46.4
147.11707	5.8
149.09637	16.2
153.05563	3.5
157.04971	31.4
160.37135	2.5
161.09731	2.6
163.11188	100.0
164.11546	3.5
173.09615	9.2
181.12242	20.0
189.09081	3.0
191.10675	79.7
199.06004	3.7
209.11708	37.5
219.06551	4.6
223.06050	4.7
227.12785	36.7
242.12173	2.9
247.06020	14.6
265.07147	12.0
271.13422	4.0
273.60477	2.6
289.14270	2.6
299.12735	3.9
304.91855	2.8
311.14951	10.8
317.13770	12.1
335.14899	25.2
336.15164	3.2
353.15894	13.8
391.11533	2.7
449.41687	2.7
508.30801	3.2
544.23090	2.5
544.32056	11.4
545.19861	2.5
545.32642	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	544.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05025	0.3
71.01383	0.5
71.04999	0.6
71.08633	19.6
75.53225	0.3
85.02947	0.4
88.11271	100.0
89.11591	1.9
101.06029	0.6
113.06006	1.1
131.07060	0.6
149.08092	2.8
312.81210	0.3
383.24820	0.4
536.45782	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	545.1994
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
51.46707	0.2
51.71051	0.2
58.74314	0.2
60.13211	0.2
61.77279	0.2
69.07053	0.2
69.47631	0.5
69.48041	0.6
85.55281	0.2
98.23324	0.4
126.69331	0.2
130.64372	0.2
139.03876	0.9
148.65240	0.2
161.05959	0.3
197.08229	0.3
201.91487	0.2
203.05249	0.7
217.94585	0.2
365.13684	0.7
459.82321	0.2
545.19940	100.0
546.20282	8.2
564.39954	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	545.1991
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
57.33287	0.4
69.03417	0.5
81.03408	0.5
91.88470	0.3
93.07042	0.5
98.22647	1.1
99.19727	0.3
104.32997	0.3
105.07068	0.4
119.50858	0.4
123.04449	0.4
134.46564	0.4
194.42076	0.4
217.04817	1.1
257.32678	0.4
257.37140	0.3
351.14090	3.6
353.39651	0.4
443.79761	0.4
447.49820	0.4
527.18921	5.1
531.68256	0.4
545.19952	100.0
546.12061	0.5
546.20386	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	545.1996
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
69.11371	2.5
72.75061	0.3
73.39785	0.3
78.52941	0.3
81.07065	0.4
91.05486	1.0
93.07051	0.4
96.92406	0.3
119.04961	1.3
147.04422	6.0
153.01845	0.5
172.98932	0.3
178.05057	1.0
208.13269	0.3
216.04010	0.3
217.04752	0.3
238.07227	0.4
252.75964	0.3
351.14111	3.0
545.19958	100.0
546.20343	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	545.1995
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
50.78289	0.3
50.97562	0.3
61.89288	0.4
62.27123	0.3
62.99706	0.4
63.39641	0.4
70.61693	0.4
71.30643	0.5
117.95229	0.4
123.04436	1.0
132.55022	0.4
139.03905	1.4
148.00829	0.3
230.97932	0.7
242.90620	0.4
442.17142	0.4
545.19940	100.0
546.20361	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	545.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21223	0.4
56.96549	1.1
58.13919	0.5
60.05654	3.2
70.06231	0.4
70.06593	5.9
70.94536	0.8
78.50990	0.5
112.08709	0.9
116.07108	2.2
118.04623	0.7
121.06477	2.1
122.06819	0.9
130.09773	1.0
137.05731	0.4
142.08296	0.7
142.75175	0.4
155.06586	3.1
157.10905	0.6
158.09253	1.4
160.09285	0.6
166.02864	0.8
167.06998	0.5
169.09383	2.3
170.06007	2.1
171.04419	1.4
171.05931	0.5
171.10921	5.4
172.09311	1.6
173.07736	6.9
173.55600	0.4
175.11913	8.3
179.09079	0.9
187.08752	0.8
187.10417	1.6
188.07027	1.0
189.05475	1.7
189.11983	4.3
196.09312	0.9
197.08792	1.7
197.10387	2.3
198.07265	0.6
200.08888	0.6
212.64999	0.4
213.06563	1.3
215.09915	8.8
216.08296	1.1
222.10870	3.4
224.12482	3.5
231.07689	4.2
232.06003	1.0
233.10783	3.9
234.10887	3.0
239.13516	1.7
240.11913	9.5
249.08737	2.2
249.12010	0.8
251.13538	13.1
252.11642	1.9
265.11459	0.4
266.14566	1.6
267.13043	1.5
269.14590	71.4
270.12839	3.2
270.14914	3.6
276.13126	1.1
293.15683	2.2
294.14056	4.9
299.98975	0.5
311.16769	22.5
312.15149	1.2
312.17255	1.0
336.16229	1.7
341.06494	0.7
353.18936	8.4
354.18216	0.5
371.19998	100.0
372.20239	10.0
375.11960	1.7
383.08804	1.0
401.09824	1.0
424.17667	1.0
545.14117	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	545.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40165	0.3
59.05820	0.3
69.81831	0.6
69.82224	0.7
79.76303	0.3
81.07042	0.4
85.19835	0.3
91.05496	0.5
93.07023	0.4
95.08574	0.3
107.43966	0.3
116.85440	0.3
137.05974	0.5
147.04500	0.4
151.03868	0.4
153.01852	0.5
159.11688	0.3
161.09608	0.3
166.69388	0.3
167.07106	0.4
184.58308	0.3
206.83893	0.4
246.77200	0.3
383.27777	0.8
398.67084	0.4
490.36084	0.3
515.31995	3.2
516.32410	0.4
545.32965	100.0
546.33258	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73036	1.9
53.03939	7.5
55.01859	2.6
55.05519	21.7
57.03437	5.7
57.07065	3.4
65.03936	3.6
65.07841	2.0
67.05508	69.1
69.07072	21.5
71.05003	4.4
71.08637	29.4
71.28043	2.4
79.05500	59.9
81.03419	7.6
81.07059	85.6
83.04977	11.7
83.08629	17.2
85.06544	2.8
91.05480	45.1
93.07045	73.4
94.07409	3.6
95.04962	9.2
95.08611	45.0
97.06519	14.3
97.10155	4.0
99.08086	20.2
105.04528	2.3
105.07034	25.4
107.04968	8.2
107.08599	40.3
109.06483	3.0
109.10145	11.7
111.08086	6.3
113.09586	3.1
117.07023	8.8
119.08580	21.4
121.06469	3.0
121.10162	30.1
123.11695	4.9
124.10262	2.6
131.08557	10.5
133.10153	19.6
135.11713	31.6
141.09108	2.4
143.08571	2.9
145.10175	3.9
147.11679	10.0
149.13261	20.2
151.11214	7.5
157.10114	3.1
159.11652	7.4
161.13252	10.7
163.11223	4.9
165.12752	3.7
171.11708	2.9
175.14844	2.7
177.12782	4.2
179.14320	100.0
180.14622	3.4
185.13182	2.3
193.12149	2.9
195.13919	5.5
235.16855	3.1
259.20557	7.2
277.21609	58.9
278.22021	2.9
295.22726	4.4
351.25610	2.9
453.33972	2.7
527.37531	3.1
536.66968	2.4
545.38379	55.4
546.38696	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.0
55.01875	8.7
55.05515	45.0
55.97750	1.6
57.03453	11.1
57.07064	5.2
59.05004	2.4
65.03941	5.3
67.05508	75.7
67.22105	1.9
69.03435	4.7
69.07072	21.6
71.04990	5.4
79.05495	55.3
81.03421	27.7
81.07061	78.1
83.04990	7.8
83.08627	24.0
85.06512	4.7
91.05484	47.7
91.06011	3.7
93.07052	49.2
93.07639	3.5
95.04986	26.9
95.08083	1.6
95.08611	45.6
97.06518	7.0
97.10168	20.3
105.04574	2.6
105.07033	37.6
105.07682	3.4
107.04955	10.9
107.08597	37.8
107.09280	2.9
109.06532	7.7
109.10165	30.4
111.08077	6.8
115.05462	3.9
117.07036	17.5
119.08583	33.6
121.05758	1.7
121.06522	12.1
121.10140	22.3
123.08107	5.6
123.11676	11.8
125.09656	18.4
128.06195	3.7
129.06982	9.7
131.08577	31.5
133.06526	4.2
133.10133	26.5
135.08070	6.9
135.11713	16.9
137.09612	2.6
137.13217	2.1
141.07028	4.1
142.07816	4.4
143.08575	10.1
145.06554	2.8
145.10143	18.9
147.08076	5.1
147.11687	12.5
149.09636	4.8
149.13237	10.7
153.09161	3.4
155.08627	4.1
157.10121	9.8
159.11707	14.9
161.09628	3.8
161.13301	7.0
163.11205	4.1
163.14838	4.0
167.08578	3.2
169.10149	5.4
171.10265	4.2
171.11722	8.1
173.09756	2.2
173.13258	10.3
175.11191	4.0
175.14848	5.0
181.10205	1.8
183.11736	5.5
185.13303	6.1
187.11203	2.2
187.13293	2.5
187.14894	6.2
189.11266	13.9
189.12788	3.3
189.16406	2.1
189.36449	2.4
193.12302	12.8
197.13324	4.5
199.14835	3.0
201.16382	1.9
209.13255	2.9
211.13261	2.2
213.16492	2.3
221.15465	1.9
227.12766	19.6
233.15514	2.5
243.21054	2.2
247.17119	3.1
261.22141	23.2
267.15906	29.4
273.18710	2.7
279.23138	2.3
283.24182	3.4
285.22202	4.7
287.20016	2.7
299.23730	2.8
301.21994	3.4
301.25256	26.2
303.23328	3.3
317.24731	4.3
329.24573	2.2
335.25925	21.8
341.24936	2.1
343.22577	2.1
359.26001	2.8
373.27463	2.3
399.13916	2.4
417.26385	2.4
417.31519	3.5
421.25568	2.7
435.27338	3.5
435.32349	10.1
453.33759	21.8
471.34595	14.4
509.36627	2.5
527.37366	57.2
527.45099	4.3
528.37592	6.1
545.38367	100.0
546.38892	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.9
53.03942	6.2
55.01871	10.2
55.05239	2.1
55.05512	44.6
55.61355	1.1
57.03438	9.8
57.07079	7.2
59.04998	3.9
65.03947	4.6
67.05505	86.6
68.05814	1.7
69.03442	4.9
69.07064	24.1
69.07410	1.8
69.57908	6.5
71.04991	4.6
71.08636	5.3
79.05496	68.7
80.05824	2.7
81.02929	1.6
81.03419	37.4
81.07057	86.6
81.69718	1.0
83.04980	9.7
83.08620	27.3
83.09111	1.5
84.08919	1.4
85.02903	5.0
85.06542	4.2
89.06039	2.4
91.04890	1.9
91.05481	62.7
93.07044	63.5
94.07352	1.5
95.04970	28.4
95.08604	54.3
97.02905	1.1
97.06532	7.3
97.10171	24.7
99.08100	4.4
103.35987	1.1
105.04504	1.9
105.07030	45.9
106.07339	1.3
107.04964	8.4
107.08595	39.7
108.08968	1.6
109.06527	6.5
109.10157	27.0
110.10499	1.1
111.04434	1.9
111.08111	8.1
115.05453	2.1
117.07017	19.1
119.04939	1.6
119.08590	38.9
121.06484	8.5
121.10142	26.6
123.08076	7.8
123.11707	11.4
125.09641	15.5
128.06215	2.7
129.07021	14.0
130.07846	1.4
131.08565	28.9
132.08936	1.8
133.06523	4.3
133.08603	2.1
133.10138	23.9
134.10513	1.7
135.08058	7.1
135.11694	17.6
137.09639	4.3
137.13252	3.1
139.11180	2.6
141.06970	1.7
143.08530	8.9
143.10699	1.6
145.10107	23.7
147.08073	5.6
147.11687	20.0
149.09631	6.6
149.13260	10.5
151.11211	3.5
153.12828	1.2
155.08585	5.0
156.09349	1.7
157.10118	14.6
159.08113	2.1
159.11700	12.9
161.09656	2.5
161.13223	10.8
163.11128	6.5
163.14865	4.6
165.12758	2.8
167.08580	2.1
169.10144	5.5
171.10429	1.6
171.11652	7.4
173.09602	1.8
173.11877	1.9
173.13231	10.5
175.11258	5.4
175.14876	5.2
177.12787	2.9
177.16388	2.0
179.14284	7.3
181.10141	3.2
182.62610	1.3
183.11737	4.7
185.09660	1.7
185.11774	1.2
185.13335	5.6
187.00929	1.3
187.14786	6.8
189.11272	7.8
189.12732	1.7
189.16412	2.7
191.14345	1.3
193.12242	24.8
195.11671	2.3
197.13324	2.8
199.14832	4.7
201.16434	2.6
203.14430	1.6
205.15971	2.0
209.11603	1.8
209.13365	2.2
211.13222	13.0
211.14523	1.7
214.94846	2.3
215.17949	1.6
223.14993	1.9
227.12735	15.1
233.15443	3.0
235.16965	1.4
242.14932	1.6
243.21086	3.1
247.16882	3.1
259.20709	2.6
261.22137	18.2
267.15942	17.5
273.18640	2.0
273.21878	1.3
275.20172	1.6
277.21625	8.7
278.22131	1.4
279.23233	2.9
283.24051	1.6
285.22180	5.1
299.23770	2.5
301.25247	21.0
303.23294	3.6
317.24786	2.9
323.23428	1.3
327.23264	1.9
329.21127	1.9
335.25848	15.7
342.54111	1.4
359.25806	1.9
417.26349	1.5
417.31479	2.0
421.25812	2.9
435.27435	1.8
435.32504	10.9
436.32971	1.4
453.33566	17.0
454.33813	1.5
471.34744	11.4
472.35043	1.7
475.30585	1.6
489.36066	1.7
501.36282	1.6
509.36041	3.4
517.39056	1.5
527.37347	49.7
528.37750	4.6
545.38348	100.0
546.38879	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
55.01878	6.6
55.05513	38.1
57.03439	10.7
57.07091	3.1
59.05040	1.7
59.72000	1.6
65.03925	2.8
67.05507	76.2
68.01754	1.4
68.98370	13.9
69.03436	5.2
69.07067	16.5
71.04989	3.9
79.05497	47.3
81.03419	27.5
81.07059	62.1
83.04991	6.8
83.08620	22.6
85.02893	1.9
85.06556	4.9
91.05486	37.4
93.07047	44.3
95.04980	20.4
95.08608	45.6
97.06546	7.2
97.10175	25.2
97.10777	2.3
105.04547	1.5
105.07037	35.4
107.04993	8.2
107.08598	28.1
109.06535	6.3
109.10161	28.5
111.08104	6.7
111.27680	1.4
115.05517	2.7
117.07025	17.5
119.08579	29.5
121.06518	9.2
121.10164	17.9
123.08075	5.9
123.11707	11.4
125.03703	1.6
125.09638	15.4
128.06317	2.1
129.07014	12.6
131.08583	29.6
131.09523	3.1
133.06511	3.1
133.10144	24.8
135.08081	6.3
135.11700	12.6
137.09637	4.1
137.13257	2.9
139.11192	1.9
141.06999	2.9
142.07730	2.2
143.08560	11.2
145.06546	2.0
145.10130	22.4
147.08031	4.1
147.11656	13.7
149.09673	4.1
149.13258	7.4
151.11209	3.1
155.08598	5.0
157.10144	10.2
159.11688	17.0
160.24207	1.5
161.09683	2.6
161.13269	10.9
163.11218	2.7
163.14914	4.3
167.08537	1.8
169.10178	5.1
171.10344	1.8
171.11661	9.2
173.09666	3.5
173.11971	2.2
173.13272	10.3
175.11253	4.9
175.14865	4.6
177.12732	1.9
181.10114	3.1
183.11732	5.0
185.13326	5.8
187.11221	2.5
187.13374	2.0
187.14890	5.2
189.11235	13.5
189.16418	2.7
193.12274	12.7
195.11809	2.4
197.13251	2.7
197.24998	1.6
199.14914	4.7
201.16422	3.8
205.15999	2.0
209.13292	1.9
211.13147	2.3
211.14967	2.7
213.16408	3.6
223.15005	1.8
227.12770	16.0
233.15344	3.9
243.21213	4.7
247.16956	2.9
249.14711	1.9
250.06300	1.8
250.08911	1.7
261.18576	3.7
261.22217	14.6
267.15906	27.6
273.18457	1.8
275.20108	1.6
279.19958	1.7
279.23175	3.3
283.24191	2.1
285.22110	5.1
287.20081	2.1
289.21658	1.7
299.23526	2.8
301.25284	22.8
303.23273	3.9
317.24695	3.3
327.23315	1.6
329.21164	1.7
335.25845	15.8
341.24878	2.2
343.22665	1.8
357.28073	1.7
359.26093	2.8
417.31766	2.4
419.27972	2.1
421.25879	3.9
435.27481	2.4
435.32657	10.4
453.33615	19.9
454.33994	3.0
471.34671	12.8
509.36868	2.6
527.29431	3.5
527.37354	68.6
528.37891	7.5
545.38373	100.0
546.38574	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01871	5.1
55.05513	55.8
56.05830	2.8
56.46886	1.5
57.03443	13.6
57.07071	7.3
59.04995	2.0
65.03936	5.6
67.05507	96.9
68.05848	2.1
69.03432	6.7
69.07072	28.8
69.57972	8.0
71.04993	6.1
71.07377	2.5
71.08631	6.0
79.05498	67.8
81.03419	30.7
81.07059	100.0
82.07383	3.2
83.04976	6.6
83.08617	30.6
84.08959	3.1
85.02881	2.0
85.06551	5.0
85.31496	1.8
86.09708	16.7
87.10030	5.8
91.05485	46.8
93.07048	53.2
94.07381	1.8
95.04977	25.2
95.08608	53.9
96.08936	2.1
97.06541	7.9
97.10175	25.3
98.23328	3.1
99.08084	3.0
103.69725	1.9
105.07034	51.0
106.07350	2.4
107.04951	9.1
107.08598	38.0
109.06538	5.1
109.10159	30.9
111.08072	6.7
111.11797	1.9
115.05453	1.8
115.43866	2.1
117.07040	16.8
119.08583	34.7
121.06497	9.4
121.10156	27.5
122.10465	2.1
123.08075	7.1
123.11707	11.9
125.09618	17.4
129.07028	13.1
131.08577	33.4
133.06454	3.9
133.10135	30.6
135.08046	9.4
135.11688	20.3
137.09602	3.7
137.13263	4.0
139.11163	2.5
141.06956	4.2
142.07851	2.5
143.08530	10.6
145.06516	3.2
145.10150	22.7
146.98170	33.2
147.08029	5.5
147.11694	15.5
147.98514	2.5
149.09624	5.9
149.13251	13.2
151.11169	4.4
155.08589	5.6
157.10149	11.1
159.11688	16.4
161.13240	11.7
163.11197	7.2
163.14810	3.3
165.12779	2.9
169.10129	6.8
171.11685	7.1
173.09625	2.9
173.11845	3.0
173.13219	12.4
175.11179	5.3
175.14842	4.9
177.12743	2.6
179.14354	3.9
181.10028	2.5
183.11734	3.6
185.13263	8.2
187.14833	7.7
189.11183	13.4
191.14473	2.8
193.12222	15.5
195.11676	2.7
195.13866	2.5
197.13280	4.7
199.14821	5.7
201.16292	2.1
215.14192	1.9
227.12769	16.2
233.15344	2.6
241.19620	2.1
243.21063	2.7
247.17018	3.4
259.17029	1.9
259.20642	4.7
261.18533	2.6
261.22162	15.0
267.15884	19.3
269.17358	3.1
275.20053	2.1
277.21606	6.0
279.23193	3.2
285.22174	5.1
299.20364	2.2
299.23584	4.6
301.25171	19.1
302.25528	3.2
303.23035	3.8
311.23413	2.1
317.24628	3.3
333.24243	2.5
335.25873	14.7
340.29523	4.2
359.25958	2.6
405.30273	2.6
417.31583	3.8
421.25528	3.2
425.34174	2.6
435.32474	9.0
453.33459	15.1
454.33688	2.4
471.34763	11.0
472.35046	3.0
485.26248	5.2
486.26627	28.4
487.27090	3.8
509.36420	3.4
527.37305	58.7
528.37769	6.6
545.38739	95.6
546.39282	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.0
51.02375	1.3
53.03949	8.3
55.01871	5.4
55.05512	35.0
55.88716	1.0
57.03440	10.9
57.07073	3.8
57.15919	0.8
58.29730	0.9
58.47637	0.7
59.05004	2.0
65.03930	4.4
65.45633	0.9
66.16820	0.9
67.05505	94.6
68.05836	2.0
69.03436	6.1
69.07067	19.9
69.53225	3.9
71.04989	7.7
71.08633	2.9
77.03945	2.3
78.89605	0.8
79.05494	79.0
80.05835	1.9
81.02921	1.5
81.03072	0.8
81.03419	54.6
81.07058	82.0
82.03755	1.2
82.07397	1.8
83.04985	14.6
83.08622	31.3
83.09119	1.8
85.02907	25.8
85.06548	4.6
85.10149	0.8
91.05481	64.9
92.05831	1.5
93.07045	79.3
94.07381	2.0
95.04971	34.2
95.08607	53.2
96.08952	1.0
97.02904	2.9
97.06531	8.2
97.10170	11.6
98.22665	1.3
99.08105	3.2
103.05480	1.7
105.04539	3.7
105.07030	51.0
106.07369	1.5
107.04944	7.2
107.07866	2.0
107.08596	41.7
108.08962	1.1
109.06535	7.0
109.10162	19.9
111.04460	3.1
111.08084	13.8
113.06024	2.8
113.09672	1.4
115.05465	1.8
117.07014	14.6
119.08585	39.8
121.06524	3.4
121.10146	34.6
121.11024	2.0
123.08078	4.4
123.11715	8.7
125.09644	8.8
128.06232	3.0
129.05540	1.0
129.07008	14.0
131.08571	30.6
132.08990	0.8
133.06503	3.3
133.10130	24.5
135.08099	2.5
135.11697	17.6
137.09654	5.1
137.13260	1.9
141.06993	1.8
142.07767	2.0
143.08572	7.5
145.06485	0.9
145.10126	15.3
147.08051	4.0
147.11694	22.1
149.09625	7.4
149.13261	10.6
151.11195	3.4
153.12759	1.1
155.08559	2.3
157.10136	16.7
159.08060	0.9
159.11685	11.2
161.09673	1.4
161.13243	9.7
163.11235	3.5
163.14836	2.4
165.12782	4.4
167.08659	0.9
169.10149	2.9
171.11710	4.2
173.09619	1.5
173.13257	8.5
175.11198	15.4
175.14932	3.0
177.12791	1.3
177.16376	1.9
179.14360	3.7
181.10066	1.6
183.11702	1.8
185.13223	4.5
187.11198	1.3
187.14745	6.0
189.11243	4.1
189.12781	1.8
189.16406	1.7
191.14336	1.0
193.12234	52.9
194.12611	1.9
195.11705	1.0
195.13660	0.8
196.86757	1.1
197.13297	2.1
199.14899	3.1
201.16435	2.3
209.11601	1.0
209.13409	1.3
209.94832	1.0
211.13277	51.5
212.13635	2.3
214.94917	2.4
223.14969	1.1
225.16484	1.4
227.12721	6.5
227.17918	1.2
229.14252	1.4
235.16994	1.1
243.21147	2.6
259.20657	1.7
259.56134	0.9
261.22092	10.1
267.15903	7.1
275.67349	0.8
277.21613	5.5
283.20609	1.0
283.24063	1.2
284.20810	0.9
285.17249	1.2
285.22003	4.3
291.23181	0.9
299.23792	1.1
301.25134	7.9
303.23123	1.7
315.23349	1.2
317.24747	2.4
333.24548	1.1
335.25836	6.5
359.25839	1.9
377.26581	1.0
417.31293	1.9
435.32486	8.5
453.33636	7.6
471.34726	5.2
509.36642	1.4
527.37323	23.1
528.37842	2.6
545.38409	100.0
546.38660	9.9
560.00580	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
55.01876	8.4
55.05511	38.8
57.03432	12.0
57.07079	4.8
58.06890	2.8
60.57899	2.9
65.03956	6.0
67.05508	89.6
68.05839	3.3
69.03433	6.9
69.07071	25.9
71.04990	6.6
71.08640	9.1
71.30911	3.5
71.31264	3.7
77.81573	3.2
79.05496	80.4
80.05836	3.1
81.03420	41.1
81.07057	94.3
82.07390	3.4
83.04993	11.4
83.08614	22.3
85.02909	13.5
85.06533	3.7
85.10175	3.7
91.05476	64.4
93.07045	75.6
95.04975	21.1
95.08609	49.3
96.08956	3.8
97.06550	8.0
97.10175	8.4
99.08097	7.6
105.07029	48.4
107.04974	5.3
107.08605	43.7
109.06518	7.3
109.10154	22.2
111.08114	12.6
113.06013	4.4
117.07022	16.5
119.08588	31.1
121.06549	5.4
121.10139	27.7
123.11731	10.4
125.09673	6.2
128.06287	3.9
129.07018	11.5
131.08566	30.7
133.10153	23.7
135.08086	4.1
135.11713	22.1
137.09595	4.3
143.08562	10.0
145.10132	19.8
147.11681	21.7
149.09534	3.6
149.13303	10.2
151.11250	6.8
157.10164	12.8
159.11731	12.2
161.13319	10.8
163.11235	6.4
165.12807	6.6
169.10210	3.5
171.11742	7.5
173.13341	5.4
175.11223	13.4
175.14922	4.2
179.14462	3.7
184.07365	7.9
185.13295	4.4
187.14951	7.3
189.11438	3.7
192.42329	2.8
193.12241	41.9
211.13306	35.4
211.15144	2.9
227.12816	5.2
228.23340	3.8
243.21141	3.4
256.26340	6.8
259.20789	5.0
261.22205	6.3
267.16006	6.9
268.48157	3.2
277.21649	14.3
285.21994	2.9
301.25433	8.0
335.25943	6.3
417.31357	4.2
435.32767	8.8
453.33688	16.2
471.34766	7.4
527.37451	29.8
545.38446	100.0
546.38800	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56632	2.8
53.03942	6.9
53.27045	2.5
55.01867	8.2
55.05268	5.0
55.05512	45.6
57.03437	11.8
65.03945	2.9
67.05505	81.9
69.07072	23.1
71.04989	7.1
71.30805	3.2
73.64006	2.8
79.05497	53.5
79.05920	4.9
81.03425	34.3
81.07061	75.5
82.57666	2.7
83.04992	10.2
83.08620	25.0
83.58574	2.7
85.02921	5.3
85.06544	3.7
86.09695	3.2
91.05481	53.9
93.07045	58.8
95.04969	28.2
95.08611	55.5
97.06551	8.9
97.10178	23.8
104.10747	6.4
105.04562	3.0
105.07031	45.0
107.04958	7.2
107.08583	39.2
109.05870	3.0
109.06523	6.7
109.10154	26.1
111.08098	7.2
117.07033	14.8
119.08588	40.5
119.22817	2.6
121.06504	7.7
121.10135	25.9
123.08080	6.4
123.11717	13.1
125.00050	3.2
125.09625	17.0
129.07005	14.4
131.08568	35.6
133.06500	5.5
133.10127	23.3
135.08084	9.2
135.11696	20.0
142.07806	3.8
143.08614	9.1
145.10114	19.8
147.08067	4.4
147.11632	18.5
149.09592	5.2
149.13277	10.0
155.08493	4.9
157.10176	9.6
159.11722	16.1
161.13286	10.5
163.11206	3.7
165.12816	6.2
169.10139	3.9
171.11736	5.3
173.11824	4.0
173.13310	11.3
175.11165	4.9
175.14830	6.3
183.11650	6.4
184.07355	6.1
185.13271	8.9
187.14854	6.0
189.11293	6.8
193.12263	18.7
197.13257	3.8
199.14774	5.7
201.16544	4.1
211.13348	9.1
227.12779	12.2
233.15405	3.6
243.21094	4.9
261.19769	3.4
261.22159	16.3
267.15854	20.7
277.21558	3.4
285.22095	3.2
299.23672	2.8
301.25214	18.4
303.23196	4.6
335.25925	17.7
359.25818	3.7
417.31277	5.3
435.32578	11.2
453.33765	11.6
471.34711	15.9
527.37317	56.8
528.37653	5.5
545.38361	100.0
546.38660	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	546.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	6.2
69.39110	3.5
69.39510	10.2
72.08176	3.2
79.01850	2.2
79.26894	2.3
81.03426	6.5
85.36874	2.1
91.05486	6.4
95.89111	2.4
96.68633	2.4
97.02895	8.9
97.39465	2.4
109.02885	6.2
119.04939	15.1
127.03909	6.8
137.05983	43.6
143.03403	7.0
147.04419	25.6
153.01839	100.0
171.02869	15.0
179.07089	14.8
215.49214	2.2
227.89435	2.1
297.06067	9.9
315.07159	15.2
384.10611	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	546.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98279	0.2
55.01876	0.3
57.07061	0.3
57.87725	0.2
58.79957	0.2
61.01146	1.1
65.03928	0.9
70.02942	0.3
70.06588	0.3
70.33140	0.6
72.04520	2.0
72.08145	0.5
72.55495	0.2
76.53017	0.2
78.03786	1.7
85.06505	0.3
86.06106	0.3
86.09691	0.9
88.02211	1.4
88.04047	0.3
91.05479	7.5
91.91927	0.2
95.04948	0.4
96.69091	0.2
98.02419	0.5
99.05583	0.2
102.03770	2.9
107.04926	0.3
113.05991	0.5
114.03748	1.1
115.04992	0.3
119.04944	20.1
120.05340	0.3
121.06457	0.3
124.07550	0.4
130.03242	0.5
130.08618	0.5
131.06400	1.6
132.04793	2.6
141.06601	0.5
142.08630	1.8
147.04407	100.0
148.04739	2.4
149.07437	11.1
158.02670	0.5
159.05887	0.6
164.07124	0.3
175.05331	1.1
183.11235	0.2
184.09746	0.7
206.06364	0.6
218.08122	13.7
219.08456	0.4
243.11687	0.5
261.12668	5.6
277.10141	0.5
295.11099	20.3
296.11539	0.7
326.16711	0.2
333.50949	0.3
407.16318	3.8
408.16534	0.4
416.13043	13.9
417.13116	0.5
453.66312	0.3
494.43500	0.2
494.50818	0.3
528.10107	0.3
528.18286	5.4
546.19849	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	546.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01874	8.4
55.05512	5.1
67.05499	11.0
69.03428	12.1
69.07063	12.6
69.66315	15.9
70.06577	6.1
71.04993	8.0
79.05489	18.4
81.03430	29.8
81.07063	30.6
83.04986	4.9
85.02919	5.8
85.06512	8.7
86.09712	9.3
89.98143	3.1
91.05486	16.7
93.07056	54.8
95.04980	4.4
95.08601	13.3
97.02860	7.1
97.06522	13.5
98.22755	5.3
99.04462	19.9
99.92379	3.6
100.94474	3.2
101.05959	3.5
105.07039	32.6
107.08609	60.1
109.02886	35.8
109.06509	12.2
109.10172	4.6
111.04467	4.1
111.08105	9.8
113.05979	3.7
114.20628	3.6
115.05477	3.6
117.03356	8.6
117.07052	3.7
119.08586	11.8
121.06525	19.8
121.10160	38.3
123.08113	4.3
127.03936	39.0
130.07785	3.2
131.08586	6.3
135.04442	4.9
135.08058	12.7
135.11716	16.4
137.09607	4.0
139.11185	5.5
143.08568	4.2
145.02875	17.2
145.10121	33.0
147.04414	6.9
147.11674	4.8
149.05945	5.6
149.09633	18.1
151.07542	8.8
161.02655	3.2
162.05609	5.3
163.03989	3.5
163.11194	90.2
163.12511	7.3
164.11542	3.3
165.09164	4.8
167.10706	32.7
168.66347	3.3
169.08615	57.8
173.09605	10.1
177.05482	32.5
178.05844	5.3
181.12238	22.7
182.12520	3.2
185.11691	4.6
191.10675	61.6
209.11737	50.3
227.12782	100.0
269.13791	13.3
311.14810	3.9
335.14993	7.5
353.16052	39.3
371.17026	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01874	8.4
55.05512	5.1
67.05499	11.0
69.03428	12.1
69.07063	12.6
69.66315	15.9
70.06577	6.1
71.04993	8.0
79.05489	18.4
81.03430	29.8
81.07063	30.6
83.04986	4.9
85.02919	5.8
85.06512	8.7
86.09712	9.3
89.98143	3.1
91.05486	16.7
93.07056	54.8
95.04980	4.4
95.08601	13.3
97.02860	7.1
97.06522	13.5
98.22755	5.3
99.04462	19.9
99.92379	3.6
100.94474	3.2
101.05959	3.5
105.07039	32.6
107.08609	60.1
109.02886	35.8
109.06509	12.2
109.10172	4.6
111.04467	4.1
111.08105	9.8
113.05979	3.7
114.20628	3.6
115.05477	3.6
117.03356	8.6
117.07052	3.7
119.08586	11.8
121.06525	19.8
121.10160	38.3
123.08113	4.3
127.03936	39.0
130.07785	3.2
131.08586	6.3
135.04442	4.9
135.08058	12.7
135.11716	16.4
137.09607	4.0
139.11185	5.5
143.08568	4.2
145.02875	17.2
145.10121	33.0
147.04414	6.9
147.11674	4.8
149.05945	5.6
149.09633	18.1
151.07542	8.8
161.02655	3.2
162.05609	5.3
163.03989	3.5
163.11194	90.2
163.12511	7.3
164.11542	3.3
165.09164	4.8
167.10706	32.7
168.66347	3.3
169.08615	57.8
173.09605	10.1
177.05482	32.5
178.05844	5.3
181.12238	22.7
182.12520	3.2
185.11691	4.6
191.10675	61.6
209.11737	50.3
227.12782	100.0
269.13791	13.3
311.14810	3.9
335.14993	7.5
353.16052	39.3
371.17026	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	27.5
59.05001	5.6
60.04534	3.6
67.74113	2.0
69.03432	88.6
71.04986	2.1
73.02924	4.2
75.04465	2.8
79.05495	4.3
81.03420	3.2
81.07104	2.6
85.02908	68.3
87.03929	3.0
87.04470	62.5
87.04974	4.5
91.05498	2.8
95.08620	7.1
97.02892	68.0
97.03517	3.8
98.23457	4.7
101.96387	2.2
111.04430	2.7
115.03928	94.5
123.08049	6.1
127.03931	6.4
133.04971	100.0
137.05978	40.9
145.04976	7.3
150.07629	22.6
151.07545	69.2
152.07866	2.7
163.07568	3.5
165.09145	5.6
169.05069	2.3
175.07549	4.0
177.09091	8.8
178.04514	2.5
179.10643	2.3
191.10611	2.5
203.38293	2.6
229.27032	2.3
235.16934	13.8
241.07169	3.2
313.17770	10.8
331.19128	8.7
405.43518	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	546.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01873	1.8
55.05512	7.3
57.03446	5.4
57.07072	1.8
59.03625	0.5
62.06095	0.9
62.59321	0.7
65.03938	0.7
67.05509	13.2
68.05862	0.7
69.00428	4.1
69.03429	1.3
69.07070	9.8
71.05005	3.0
71.08646	4.0
74.11227	0.5
79.05497	10.4
81.03422	2.7
81.07063	19.4
83.04988	2.1
83.08615	5.7
85.02908	1.2
85.06532	1.7
91.05486	9.6
93.07049	11.9
95.04980	2.5
95.08616	12.5
95.92506	0.7
97.04882	0.6
97.06534	3.6
97.10168	2.2
98.98457	4.2
99.08089	2.9
99.81869	0.5
100.84329	0.7
105.07031	9.2
106.07375	0.5
107.04939	0.8
107.08596	11.1
109.06510	8.4
109.10175	5.2
111.08092	2.2
115.60421	0.6
115.88755	0.5
117.07020	1.8
119.08593	12.4
120.08934	0.9
121.06484	1.2
121.10164	5.0
123.08076	18.4
123.11698	2.2
123.18147	0.6
124.01578	0.6
125.09635	1.8
129.07014	1.1
131.08533	3.8
133.10150	9.6
134.10497	0.7
135.08061	9.5
135.11667	3.0
137.09605	1.6
137.13223	0.8
139.11221	0.7
142.07764	0.7
143.08580	0.8
145.10110	4.3
147.11687	6.3
149.09641	4.0
149.13246	3.5
150.13512	0.8
151.11156	1.1
157.10143	1.6
159.11717	3.8
161.09647	2.4
161.13272	2.2
163.11176	1.8
163.14821	1.3
165.12769	1.9
167.14342	1.6
171.11725	0.9
173.02133	0.7
173.13246	1.4
175.11215	0.6
175.14807	8.2
177.12772	4.2
177.16373	0.7
179.14323	28.7
180.14743	0.6
185.13292	1.4
187.11232	0.7
191.14319	0.8
193.12279	2.4
193.15889	1.7
198.05289	0.8
203.14311	1.3
205.15898	5.0
211.13310	1.1
216.06415	1.0
223.17094	0.8
231.15970	0.9
239.06741	0.6
263.20117	1.4
267.15948	1.7
275.20087	2.4
285.16974	1.2
289.21735	7.4
289.24878	1.3
289.90414	0.6
293.21106	3.0
301.19958	1.6
303.26682	1.5
319.22687	2.0
331.26297	14.2
347.25696	0.8
349.23532	0.8
349.27353	8.2
357.27914	1.4
361.27527	1.3
369.27985	1.3
374.30585	2.0
375.28934	2.0
387.28995	7.0
405.30008	100.0
406.30328	7.0
435.27762	0.9
453.28711	2.8
461.28918	1.5
479.29755	0.7
485.26462	0.7
503.27658	3.7
504.28033	0.9
511.32437	1.7
536.06824	0.7
546.33240	0.7
546.37677	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	546.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01871	2.0
55.05515	6.9
57.03445	4.5
57.07061	2.0
61.08257	0.5
62.06103	1.0
63.40864	0.6
65.03950	1.0
65.91067	0.6
67.05509	10.3
67.81694	0.6
68.05833	0.6
69.07072	10.5
71.04997	1.9
71.08647	5.1
71.09023	0.8
79.05493	6.8
81.07056	15.6
82.07411	1.2
83.04989	1.7
83.08617	4.2
83.23502	0.6
85.06547	1.4
88.18444	0.5
90.52603	0.5
91.05477	7.1
91.74767	0.7
93.07042	11.2
95.04974	1.8
95.08606	13.0
97.06539	3.2
97.10163	1.4
98.98479	3.4
99.08099	3.8
105.07034	10.0
107.04983	0.7
107.08605	10.9
109.06519	10.5
109.10147	4.6
111.08089	1.7
117.07029	1.6
119.08578	12.2
120.08892	0.7
121.06517	0.8
121.10152	7.1
122.07337	0.8
123.08068	22.2
123.11707	2.5
125.09617	1.3
129.06999	0.9
131.08554	3.7
133.10130	10.5
135.08049	9.4
135.11726	3.3
137.09633	2.1
137.13304	1.3
145.10126	4.9
147.08018	0.6
147.11690	6.6
149.09618	3.2
149.13284	2.3
157.10110	1.8
159.11684	3.8
161.09644	2.1
161.13295	2.0
163.11201	1.3
163.14897	0.9
165.12791	1.5
167.14351	1.7
169.10152	0.7
173.02275	0.6
173.13274	2.0
175.11292	0.8
175.14812	8.3
175.47479	0.6
177.12752	4.3
177.16417	1.3
179.14319	26.9
180.14645	0.9
185.13312	1.0
187.14816	0.8
189.12712	0.6
189.16452	0.7
191.14400	0.7
193.12227	0.7
193.15913	1.3
197.13226	0.7
203.14410	0.7
205.15895	4.6
213.16524	0.8
216.06372	2.2
223.16730	0.7
247.20828	0.9
263.20044	1.6
275.20154	1.8
277.21762	0.7
289.21674	8.2
289.24930	1.1
290.22409	0.7
291.19962	0.7
293.21170	2.7
303.26865	1.9
319.22577	1.5
331.26248	14.4
337.23654	1.1
347.25650	0.9
349.23624	1.0
349.27411	7.4
357.28040	1.2
359.29691	0.9
361.27319	1.4
369.27847	1.1
374.30481	2.2
375.28839	3.0
387.28918	7.5
388.29510	1.0
405.30002	100.0
406.30359	9.1
468.53452	0.7
485.27017	1.6
503.27667	5.7
546.38080	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	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	21.4
57.03436	6.8
67.05506	100.0
68.05854	4.5
69.07075	21.1
69.07380	3.3
69.45415	22.8
77.54095	4.0
79.05499	55.7
81.03422	8.1
81.07059	97.6
82.07388	4.2
83.05000	4.3
83.08623	12.2
85.02906	4.5
85.06548	4.7
86.09718	10.4
90.62011	3.3
91.05486	40.4
93.07047	66.7
95.01369	5.6
95.04985	6.8
95.08605	71.3
97.10128	8.4
99.08130	5.0
105.07027	25.9
107.08591	49.6
109.10171	36.2
117.07040	12.8
119.08597	24.7
121.10145	37.8
123.11739	12.7
124.99995	4.6
125.09653	5.3
131.08586	22.1
133.10115	13.8
135.11713	27.6
137.13216	6.3
141.01840	5.5
145.10136	15.3
147.11664	13.6
149.13295	26.8
159.11699	18.1
161.13283	8.4
162.13040	3.6
163.14815	19.5
165.12788	4.7
173.13281	12.5
175.14861	9.7
177.16368	6.5
184.07327	8.6
187.14832	11.3
202.05136	4.0
243.21091	26.9
261.22159	85.1
262.22638	7.9
277.21799	4.9
279.23120	5.1
286.59317	4.5
335.25711	20.2
353.26926	17.4
528.37457	6.3
546.38239	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.2
55.28826	2.5
56.33145	2.4
57.03431	3.4
57.07066	4.7
60.43544	2.3
61.02924	5.4
63.00137	2.5
65.03927	3.2
65.68753	2.7
65.72601	2.4
67.05507	50.1
69.07063	10.1
69.33456	8.1
69.33862	6.7
71.08641	2.8
78.26466	2.5
79.05494	28.8
80.05832	3.6
81.07058	48.2
82.07375	2.8
83.08604	7.4
85.02905	10.0
85.06535	3.0
90.03110	2.7
91.05486	19.1
93.07043	38.7
95.04987	4.1
95.08612	38.6
97.06522	3.2
98.22686	5.5
99.08101	4.4
105.07072	13.4
107.08604	22.5
109.10155	24.0
110.21163	2.5
111.08083	4.4
113.09623	3.7
114.57457	3.2
117.07011	5.1
118.35023	2.4
119.08581	12.3
121.10171	24.7
123.11674	12.7
131.08592	14.9
133.10132	11.2
135.11697	21.6
137.13229	5.3
145.10101	13.4
147.11705	12.5
147.31099	2.5
149.13271	22.6
151.11121	3.0
151.14864	3.0
159.11674	7.9
161.13239	10.2
163.14830	11.4
173.13202	15.0
175.14812	3.6
177.16362	4.5
179.14336	5.5
180.06479	2.6
187.14867	5.6
243.21028	29.7
261.22144	100.0
261.39572	2.6
262.22482	3.5
277.21487	5.6
278.22079	3.8
314.99332	3.4
335.25903	14.5
353.26813	26.6
372.22824	3.0
439.17593	2.8
451.25653	2.7
528.37439	4.6
546.38257	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	546.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01879	4.2
55.05514	26.4
57.03434	13.2
59.05002	2.9
65.03939	3.4
67.05145	3.4
67.05508	66.5
68.05816	2.6
69.03421	4.7
69.07079	11.8
69.69622	4.6
69.70014	4.0
71.05002	27.5
79.05497	45.4
80.05842	2.0
81.03423	38.4
81.07060	100.0
82.07413	4.2
83.04988	15.1
83.08624	27.7
85.02909	15.6
85.06535	8.4
91.05487	59.5
92.05820	3.0
93.07044	33.3
94.07426	2.6
95.04972	19.5
95.08612	24.6
97.02882	2.7
97.06533	10.0
97.10174	5.5
98.98444	3.5
99.08136	3.6
105.07021	34.6
106.07359	4.2
107.04958	7.6
107.08588	24.5
108.08916	2.8
109.06534	11.1
109.10130	11.6
111.04431	3.5
111.08093	6.4
113.06010	3.3
117.07033	5.3
119.08593	22.6
121.06539	3.4
121.10134	13.4
123.08079	8.5
123.11711	12.0
125.09648	3.3
128.79071	2.5
129.07019	8.7
131.08560	18.4
132.08939	2.7
133.06487	2.8
133.10153	30.7
134.10461	3.0
135.08034	4.2
135.11711	7.5
143.08513	3.6
145.10159	6.5
147.08102	3.9
147.11714	16.2
149.09665	8.7
149.13280	5.0
151.11186	8.0
153.12807	2.5
157.10112	12.6
159.11662	4.0
163.11212	2.4
165.12700	3.5
173.11842	2.1
173.13266	2.8
175.11235	9.6
177.12724	2.9
179.14326	4.5
183.13893	2.5
187.13283	3.2
192.30118	2.0
193.12262	21.1
195.13828	2.6
211.13326	31.6
211.61024	2.3
243.15848	2.8
257.17596	2.8
267.15933	21.2
269.17471	10.8
274.19055	2.7
275.20227	6.8
285.16977	21.3
291.19678	2.3
293.21179	2.6
301.20078	25.6
331.26633	2.9
405.30029	11.8
433.75937	2.4
435.27524	25.3
453.28467	63.0
454.28757	3.5
461.29147	15.3
467.30307	10.6
479.29944	14.7
485.26538	3.4
503.27701	7.6
511.32648	19.2
512.32178	3.4
546.35535	5.4
547.35608	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	546.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.6
57.03434	5.8
57.07085	20.7
67.05508	26.7
69.07075	12.5
71.05007	9.9
71.08635	20.0
79.05491	15.0
81.03445	3.0
81.07058	20.4
83.08609	11.4
85.10193	7.5
91.05492	6.2
93.07047	14.7
95.04972	3.3
95.08609	100.0
97.06564	3.9
97.10208	2.9
102.92083	1.8
103.50850	1.7
105.07048	5.6
107.08627	4.0
109.10191	7.8
119.08561	2.4
121.10143	8.9
123.08083	7.2
123.11735	3.2
129.07004	2.0
131.08597	4.1
141.09142	2.5
144.66997	1.7
149.09673	2.6
159.10179	5.9
167.56841	1.7
197.11729	2.4
223.46031	1.7
241.14375	4.3
273.16974	15.0
307.61395	2.0
313.27383	22.7
314.28113	1.8
338.54077	2.0
441.25238	2.2
453.35785	91.7
454.36115	6.1
467.37152	3.9
479.37009	2.9
511.39981	21.5
547.39978	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	547.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01873	3.1
57.03435	4.0
61.02932	3.9
65.03947	1.0
69.03436	11.9
69.30995	1.5
69.31399	5.5
71.01358	1.5
71.04980	1.5
73.02916	3.6
79.05489	1.4
81.03415	4.4
85.02908	11.4
87.04462	2.2
90.81523	1.0
91.05483	3.5
95.04937	1.1
96.72257	1.0
97.02882	5.9
98.23385	2.1
99.04485	2.1
101.02351	1.0
103.05440	1.5
105.07053	2.4
107.04950	2.2
109.02893	1.6
109.06529	1.3
115.05450	1.8
119.04936	1.4
119.08607	1.3
121.02848	3.2
121.06546	2.4
127.03946	2.0
128.06192	1.3
129.07018	1.9
131.04907	2.3
137.05959	2.6
139.03882	4.8
145.06401	1.9
147.04430	1.9
149.02324	1.2
149.05983	1.2
151.03911	2.2
153.01819	6.1
153.06972	1.5
157.06470	1.4
159.08043	8.3
161.05954	1.9
165.05608	2.1
165.07018	4.8
166.07814	1.5
167.07074	1.2
167.08530	2.4
169.06523	1.5
169.17633	1.1
177.05527	1.8
177.07054	1.5
178.07770	3.8
179.08586	2.2
181.04964	9.3
181.06546	3.1
182.07280	2.0
183.08005	1.0
185.06041	2.4
187.07536	1.9
189.06969	1.8
190.07806	1.5
191.08569	2.9
193.06503	2.1
193.08472	1.3
194.07298	3.5
195.08037	5.4
196.08691	1.3
197.05927	1.5
199.07596	1.3
201.05501	1.5
202.07884	1.4
203.08565	2.2
205.06543	3.6
206.07262	3.3
207.08109	4.2
208.08856	2.4
209.05928	1.1
209.09712	3.0
210.06825	2.4
211.07558	6.6
213.09126	1.6
215.06999	1.3
217.08621	1.8
218.07172	2.0
219.08044	6.4
220.08853	3.7
221.06036	5.4
221.09564	1.9
222.06775	3.3
223.07599	6.2
224.08365	4.1
225.05591	1.4
225.09172	5.2
231.08150	2.2
232.08994	1.9
233.06024	3.6
234.06746	2.7
235.07532	7.6
236.04741	1.1
236.08394	5.9
237.05444	1.9
237.09160	6.9
238.06169	8.3
238.09903	1.8
239.07019	4.8
239.10672	3.2
240.07712	1.8
241.08578	2.3
242.05626	1.7
245.05930	2.3
246.06631	1.5
247.07390	4.8
247.09711	2.5
248.08441	6.2
249.05426	1.9
249.09039	6.1
250.06310	3.5
250.09981	1.8
251.07039	19.0
251.10765	2.4
252.07735	4.0
253.08640	6.1
254.09360	4.5
255.06422	1.3
255.10254	3.4
259.07556	1.3
260.08209	1.0
261.05582	3.3
261.08856	1.9
262.06210	2.4
263.07083	4.5
263.10626	3.6
264.07724	6.8
265.08600	15.9
266.05551	1.7
266.09378	13.4
267.10150	14.4
268.07294	1.2
269.08176	1.5
269.11749	1.3
270.08966	4.6
274.06259	1.2
275.07144	2.1
276.07855	4.4
277.08566	4.6
278.05908	1.3
278.09222	2.3
279.06894	4.8
279.10187	4.8
280.10855	2.1
281.08118	4.1
281.11746	3.1
282.08972	6.2
282.11908	1.2
283.09644	24.9
284.10104	1.4
289.08646	1.3
291.06827	1.2
291.10049	5.0
292.07333	3.9
293.07993	7.6
294.08862	24.4
295.09650	13.4
296.10278	2.2
297.11176	5.4
298.11673	1.1
304.07312	2.6
305.08182	2.0
307.09656	10.1
308.07053	2.1
308.10443	2.9
309.07706	1.3
309.11160	13.0
310.08450	1.5
310.11920	3.3
311.09122	7.6
311.12775	4.9
313.10672	1.6
319.09695	3.8
322.08237	2.5
323.09244	12.6
323.12686	2.3
324.09814	2.1
325.10657	13.1
326.11511	13.2
329.13773	8.5
335.09317	2.2
337.10696	22.8
338.11502	8.7
339.12286	3.2
341.13852	70.5
342.14139	3.3
351.08615	7.9
351.12408	1.7
353.10153	5.4
354.10715	2.1
355.11728	3.4
357.13324	8.5
367.11774	12.4
369.13348	62.2
370.13846	2.5
371.11288	2.9
385.12784	11.2
449.53287	1.1
522.44379	1.2
524.94592	1.1
540.37952	1.3
546.33405	10.1
547.18030	100.0
547.32983	11.7
548.18427	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	547.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01870	2.7
55.05514	3.1
57.03432	3.5
61.02918	3.6
65.03947	1.0
67.05499	0.9
69.03435	15.6
71.01360	1.0
71.04987	2.2
73.02923	4.7
73.27599	1.2
75.04475	1.2
79.01861	1.2
79.05490	2.3
79.48957	0.9
80.79024	0.9
81.03419	4.6
83.04981	18.7
85.02904	12.3
87.04460	1.4
91.05471	3.6
93.07044	1.4
94.47607	0.9
95.04942	1.5
97.02920	5.5
99.04460	1.8
103.05489	1.9
105.03414	1.0
105.07021	2.4
107.04968	1.3
109.02879	2.4
109.06507	1.2
109.59049	0.9
115.05437	2.1
116.83250	0.9
117.02676	1.0
117.07071	1.2
119.04958	1.5
119.08578	1.6
121.02869	4.2
121.06506	4.6
123.04416	3.2
128.06209	1.4
129.06938	0.9
131.04929	2.1
132.05724	0.9
133.02896	1.3
133.06471	1.3
135.04422	1.2
137.02292	1.4
137.05986	3.6
139.03883	2.4
141.07002	1.1
142.02702	1.0
144.05688	1.7
145.06520	1.7
147.04402	5.0
147.07994	1.0
149.05977	1.1
151.03925	2.3
152.06116	1.7
153.01857	14.2
153.02991	1.8
153.06940	1.7
155.04973	1.3
157.06548	1.3
159.08025	7.6
159.11693	1.3
161.05963	2.4
163.03966	1.4
164.31912	1.0
165.05511	2.9
165.07013	4.7
166.07771	2.1
167.07111	2.2
167.08554	2.6
171.04475	1.7
175.07561	1.5
177.05537	1.3
177.09164	1.6
178.07803	3.9
179.08562	4.2
180.09201	1.1
181.04964	9.5
181.06511	2.8
183.08040	2.0
185.06015	2.5
185.13263	1.4
189.05481	1.1
189.07030	3.9
190.07829	1.2
191.08569	4.3
193.04977	1.8
193.06575	2.1
194.07219	5.3
195.08113	5.2
196.08774	1.3
197.09604	1.6
198.06644	1.2
199.07603	1.2
201.05475	2.8
202.07764	3.1
203.08534	1.6
205.06465	5.6
206.07283	3.0
207.08067	4.7
208.05202	1.8
208.08774	2.8
209.05965	2.5
209.09668	5.1
210.06870	2.5
211.07521	6.8
212.08298	1.6
213.05461	1.9
217.06561	1.4
217.08516	2.2
218.07294	3.6
219.08035	5.4
220.05122	1.0
220.08830	2.7
221.05972	6.3
221.09665	3.0
222.06755	4.9
223.07550	5.2
224.08356	3.2
225.09189	5.2
227.07037	1.8
229.04971	13.7
231.06485	4.1
232.08810	1.1
233.06001	3.2
234.06731	5.1
235.07558	8.4
236.04819	1.2
236.08186	6.0
237.05415	2.4
237.09090	8.5
238.06226	10.3
238.09824	1.9
239.06992	5.6
239.10657	2.4
240.07797	1.2
241.04749	1.2
241.08603	1.4
242.05762	2.4
245.06052	2.3
246.06795	1.6
247.07533	5.3
247.09734	2.3
248.08278	6.4
249.05594	2.8
249.09137	6.0
250.06197	5.0
250.09897	2.0
251.07024	17.6
251.10683	3.1
252.04918	0.9
252.07741	4.3
253.08702	5.7
254.09326	3.2
255.06470	2.0
255.10077	6.0
259.07486	2.1
260.08472	2.0
261.05438	4.5
261.09109	1.7
262.06201	1.3
262.10068	1.3
263.07059	3.9
263.10614	3.0
264.07770	7.2
265.08588	16.6
266.06030	1.4
266.09363	16.6
267.06894	2.2
267.10138	13.9
269.08127	1.4
269.11606	2.5
270.08850	3.8
275.07080	2.8
276.07690	6.4
277.05362	1.2
277.08588	5.9
278.05957	1.1
278.09311	2.2
279.06519	4.9
279.09976	6.1
280.07397	2.3
280.10794	1.8
281.08121	5.8
281.11731	3.6
282.09015	4.8
283.06354	2.7
283.09613	27.2
284.10223	1.7
289.08798	1.4
290.09299	1.2
291.06818	2.1
291.10199	4.3
292.07535	5.3
292.10413	1.6
293.08041	6.7
294.08850	20.9
295.09656	11.9
296.10358	2.6
297.11182	5.5
298.08289	1.8
298.11743	1.9
303.04996	13.7
304.07297	2.5
305.08142	3.2
306.05334	2.0
306.08701	1.3
307.06311	1.7
307.09613	10.9
308.06808	3.6
308.10458	3.1
309.07813	1.5
309.11169	13.2
310.08533	2.0
310.11819	1.8
311.09161	10.1
311.12753	4.9
313.10669	1.9
318.08609	1.1
319.09726	5.1
321.07669	1.6
321.11206	1.4
322.08212	2.1
323.09116	11.9
323.12628	2.2
324.09753	2.3
325.10681	15.2
326.11456	13.5
329.13800	10.1
335.09122	2.3
337.06970	1.9
337.10709	23.1
338.11374	7.9
339.12231	5.0
341.13846	71.3
342.14230	3.9
349.07050	1.6
351.08704	7.0
351.12421	1.9
353.10162	5.8
354.11057	2.3
355.11688	2.8
357.13330	7.6
367.11765	10.4
368.12167	1.0
369.13330	61.3
370.13837	2.6
371.11380	1.9
377.06570	10.0
378.07214	2.5
385.12830	10.3
458.97577	1.3
517.16516	0.9
536.91583	1.1
547.18036	100.0
547.34418	7.7
548.18475	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	547.1926
Annotation	Paratunamide C
Peak:m/z	Relative Intensity
55.01890	7.2
58.35374	2.5
58.35668	2.4
67.05500	9.5
68.99792	4.3
69.03422	3.2
69.07051	4.3
69.10136	17.6
69.10541	4.1
70.06599	9.0
71.04993	4.5
79.05499	11.2
81.03428	13.3
81.07056	11.6
86.09701	8.1
91.05492	19.2
93.07056	11.8
93.13787	2.6
95.04962	5.5
95.08616	11.4
97.02908	4.2
97.06583	3.0
103.05468	24.2
105.07048	4.9
107.04957	8.7
107.08579	4.9
109.10183	5.6
111.00784	13.0
119.08585	4.7
120.04478	4.5
120.08114	29.6
121.06528	5.0
121.10105	3.7
123.04465	3.3
127.03940	10.7
129.06972	4.8
131.04935	17.2
131.08583	6.1
133.10138	3.3
135.11705	6.3
137.02330	3.5
137.05980	2.8
143.08589	2.5
145.10124	2.9
146.06038	3.7
147.11592	3.7
149.05984	3.1
156.08087	10.3
157.06537	5.5
157.10159	2.7
171.11636	2.6
174.05479	15.0
174.09105	12.3
184.07588	16.8
184.96687	2.7
199.05965	3.1
202.05019	34.3
202.08623	100.0
203.08949	4.3
220.06108	9.8
230.08096	19.6
248.09192	77.2
253.21400	2.9
287.05499	55.3
311.05399	4.2
341.10199	2.8
361.02319	4.9
385.12723	30.4
406.10498	2.7
448.26096	2.8
457.29507	6.4
475.30469	4.8
493.31458	4.2
547.21271	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	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.6
51.02376	2.6
53.03941	8.5
55.01634	1.4
55.01876	14.1
55.05515	57.0
57.03444	15.6
57.07066	3.3
65.03937	6.2
67.05508	100.0
68.05839	2.3
69.03444	3.4
69.07071	37.6
71.01363	4.5
71.04987	12.7
77.03907	1.3
79.05497	88.4
80.05843	3.0
81.03426	15.6
81.07059	67.2
82.07395	2.3
83.04987	30.5
83.08618	29.6
85.02904	8.2
85.06552	6.3
91.05485	61.2
92.05831	2.6
93.07046	96.4
94.07368	2.4
95.04972	71.0
95.08606	31.7
97.06538	21.0
97.10173	21.7
99.04457	12.3
99.08089	4.8
103.05497	2.0
104.13564	1.1
105.04518	2.0
105.07030	33.5
106.07345	1.5
107.04958	17.6
107.08599	70.9
108.08933	1.9
109.06532	10.1
109.10155	20.3
111.04450	19.6
111.08086	10.4
115.05453	1.9
117.07028	16.7
119.08582	28.8
120.08900	1.4
121.06509	8.6
121.10144	28.2
123.04507	1.5
123.08064	7.9
123.11712	4.6
125.06017	2.0
125.09634	15.1
129.07007	5.3
130.07831	2.6
131.08580	15.4
133.06535	1.7
133.10129	17.6
135.08081	8.2
135.11700	57.0
137.09645	5.3
139.11206	4.1
141.07025	1.5
143.08580	3.8
143.10698	1.4
145.06462	1.7
145.10124	31.3
147.08069	6.3
147.11708	9.8
149.09633	28.7
149.13263	2.2
151.11140	2.8
153.09117	3.9
153.12749	6.4
155.08617	1.9
157.10121	4.1
159.11670	8.9
161.09613	2.3
161.13258	4.6
163.11182	36.6
163.12486	2.3
163.14864	1.2
164.11430	1.6
165.12794	5.9
169.10152	3.5
171.10260	1.5
171.11716	2.7
173.09665	1.8
173.13300	3.5
175.11211	2.4
177.12749	5.4
181.12244	10.2
183.11766	3.6
185.13274	2.0
187.11227	4.9
189.11238	17.0
189.12787	1.5
193.12186	1.7
197.13303	1.5
205.12225	5.6
207.13797	1.3
211.13300	2.3
215.14532	1.6
219.13838	1.3
220.29474	1.2
223.13295	68.3
224.13661	1.8
227.12813	4.0
229.19511	3.9
237.14781	2.4
239.17986	4.1
247.20572	3.7
255.15904	15.0
257.19000	7.3
267.15939	3.1
268.16238	2.8
269.17435	3.1
273.18643	1.2
275.20062	82.0
276.20410	3.7
283.87054	1.2
292.88358	1.3
293.21124	33.7
294.21573	2.3
311.22348	2.0
349.23788	13.6
367.24881	1.9
419.28131	1.5
462.29422	6.2
529.35217	13.0
547.36285	76.6
548.36414	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	547.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
51.02382	1.3
53.03946	6.5
55.01871	8.6
55.05513	28.6
56.05863	0.8
57.03436	10.1
57.07075	2.5
59.05002	0.7
65.03938	4.3
67.05505	72.2
68.05830	1.4
69.03425	2.0
69.07069	29.6
71.01364	2.9
71.04991	5.3
77.03912	1.3
79.05494	67.1
80.05833	1.1
81.03428	6.0
81.07056	100.0
81.18248	0.7
82.07410	2.7
83.04984	12.6
83.08617	13.2
85.06541	4.3
91.05480	41.9
91.59808	0.7
92.05816	1.6
93.07044	62.0
94.07375	1.1
95.01316	0.7
95.04974	15.8
95.08604	28.7
97.06528	15.3
97.10170	8.2
99.04446	0.9
99.08109	3.0
103.05473	1.8
105.04506	2.4
105.07029	33.8
106.07372	1.7
107.04955	11.1
107.08595	37.2
108.08936	1.3
109.06520	21.3
109.07249	1.1
109.10152	12.7
111.04429	1.0
111.08070	5.5
113.06035	0.9
115.05491	1.9
117.07015	11.0
119.08581	27.7
120.08899	1.3
121.06518	4.8
121.10149	18.8
122.10436	0.8
123.04401	0.8
123.08064	6.5
123.11711	8.8
125.06052	0.6
125.09666	2.5
127.07507	0.9
128.06233	1.1
129.07002	3.7
130.07805	1.5
131.07588	0.8
131.08574	13.0
133.06519	1.2
133.10127	18.8
135.08067	7.0
135.11693	40.1
136.12085	1.3
137.09587	5.2
137.13268	1.0
139.11188	1.2
141.07018	1.0
143.08546	3.4
144.09448	0.7
145.10110	17.1
146.10428	1.1
147.08034	1.4
147.11690	21.0
148.12035	1.1
149.09616	8.0
149.13261	7.0
150.09955	0.7
151.11179	3.9
153.12697	2.9
155.08614	1.1
157.10150	3.5
159.08038	1.3
159.11668	8.7
161.09616	1.6
161.13303	4.3
163.11179	12.5
163.14854	2.0
165.12767	7.1
169.10144	1.9
169.12154	0.6
171.11681	2.3
173.09637	0.9
173.13243	3.6
175.11188	3.1
175.14857	1.9
177.12778	2.7
179.14349	1.3
181.12224	7.3
183.11694	2.2
185.13217	1.0
187.11230	2.0
187.14801	1.7
189.11212	0.7
189.12822	1.3
189.16339	1.0
191.10655	0.9
191.14334	1.7
193.12265	2.3
195.13753	1.0
197.13333	1.1
199.13264	1.2
199.14864	0.8
201.12749	2.3
205.12308	0.7
205.15924	0.8
207.13806	1.4
215.18056	1.1
217.15988	0.9
223.13266	1.4
229.19492	4.3
233.15533	0.9
237.14838	1.0
239.18013	1.4
247.20555	5.2
255.15907	25.0
256.16376	0.8
257.19016	5.2
259.20590	1.1
267.15875	2.9
268.16220	0.9
271.15533	0.9
275.20059	55.2
276.20584	3.0
293.21103	8.0
333.24158	0.8
349.23746	15.9
350.24170	1.3
351.21399	0.7
437.30566	1.0
455.31244	1.3
465.28418	0.9
473.33063	0.7
498.78635	0.6
511.34421	0.8
529.35229	20.3
530.35602	1.4
547.36237	23.7
548.36652	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	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01877	9.3
55.05513	60.3
57.03439	16.2
57.07079	9.5
59.04991	1.8
65.03932	4.9
67.05506	100.0
68.05846	1.5
69.03425	4.7
69.07071	44.5
71.04998	6.9
71.08633	5.5
79.05494	59.2
81.03420	58.4
81.07057	97.6
82.07398	2.1
83.04981	9.7
83.08620	46.6
85.02917	1.8
85.06553	4.5
85.10180	3.2
91.05482	52.6
93.07045	56.3
94.07361	1.3
95.04361	2.3
95.04970	46.4
95.08607	71.9
96.08946	1.7
97.02906	2.4
97.06535	10.3
97.10171	34.1
99.08102	3.9
105.06451	0.8
105.07031	39.3
107.04959	15.1
107.08601	40.4
109.06533	10.6
109.10155	38.5
110.68407	1.4
111.08054	10.8
111.11736	4.8
113.09674	2.3
115.05446	1.6
117.07020	14.5
119.05032	1.2
119.08588	33.8
119.09438	1.7
121.06505	11.3
121.10138	27.3
123.04443	1.3
123.08080	5.5
123.11700	11.0
125.09632	19.4
128.06213	1.9
129.07005	11.0
131.08582	25.7
133.06514	2.9
133.10138	22.8
135.08107	7.2
135.11696	16.9
137.06026	1.3
137.09639	4.0
137.13255	5.9
139.11186	1.5
141.07010	2.9
142.07768	2.1
143.08607	7.7
145.10138	18.6
147.08087	4.9
147.11685	17.4
149.09647	7.2
149.10681	1.4
149.13248	8.1
151.11174	2.4
151.14812	2.5
153.12764	1.8
155.08554	2.4
157.10147	13.8
159.11661	9.4
161.09644	2.3
161.13295	8.2
163.11174	9.1
163.14850	5.3
165.12775	4.5
165.16437	2.1
169.10146	3.5
171.10327	2.4
171.11713	6.1
173.11862	2.6
173.13289	6.2
175.11214	8.7
175.14803	8.0
177.12737	2.7
177.16362	3.0
179.14412	2.1
181.10252	1.6
181.15950	1.7
183.11719	2.9
185.13315	4.0
187.11307	1.7
187.13315	1.7
187.14906	4.6
189.09630	2.0
189.11226	13.0
189.12721	2.4
189.16418	4.2
191.14232	2.1
193.12239	31.9
195.11708	1.7
197.13234	3.4
199.14818	2.8
201.12843	1.4
201.16394	3.0
203.14195	1.7
203.17940	2.0
205.12357	3.2
205.15941	1.9
209.13301	1.8
211.13368	4.4
213.16539	1.4
215.18085	1.5
217.16106	1.2
217.19441	1.3
219.13756	2.3
223.13322	4.4
225.16504	1.8
227.12804	15.0
228.13118	2.2
231.13663	1.6
241.18044	4.5
245.22589	6.3
249.15004	4.6
261.22131	1.8
263.23715	11.2
267.15921	57.4
268.16263	3.7
269.22827	2.1
275.20114	3.7
275.23648	1.5
285.22220	1.5
285.25665	2.4
287.23657	3.3
289.21719	5.0
301.25247	2.6
303.23346	3.6
303.26773	19.7
305.24811	2.7
311.26547	1.4
319.26352	2.0
329.24777	2.1
331.26501	1.6
337.27341	47.4
338.27682	4.1
343.26373	3.2
353.24918	1.5
357.24075	1.8
361.27487	2.5
363.25659	1.9
403.24600	1.6
405.06180	1.5
419.33215	2.7
421.25836	2.3
427.36060	2.4
435.27383	2.1
437.34015	13.4
455.35254	33.4
456.35748	2.2
473.36255	18.9
491.37802	3.0
503.37616	1.7
511.37875	4.1
529.32251	1.7
529.38873	90.7
530.39447	7.7
547.39929	93.5
548.40283	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	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01857	7.7
55.05517	57.8
57.03432	16.4
57.07078	9.9
64.77775	3.7
65.03943	5.3
67.05508	87.4
69.07072	37.2
69.49110	18.0
71.04998	8.1
71.08652	6.0
76.25243	3.7
79.05496	57.9
81.03424	45.3
81.07058	100.0
82.07391	4.8
83.04977	10.0
83.08627	37.3
85.06537	4.5
91.05485	54.5
93.07042	53.1
95.04977	40.3
95.08616	72.7
97.06533	9.9
97.10153	25.2
98.22738	6.3
105.07033	35.1
106.37074	3.7
107.04939	9.3
107.08609	29.8
109.06526	7.2
109.10154	33.7
110.10518	4.1
111.08074	8.6
111.11758	4.0
117.07019	12.8
119.08572	36.1
121.06526	15.2
121.10165	23.6
123.08047	5.8
123.11716	9.3
125.09641	15.8
129.07013	8.9
130.07753	3.9
131.08562	22.2
133.06508	5.0
133.10120	24.1
135.08113	8.7
135.11699	20.0
137.09665	7.0
143.08589	6.7
145.06502	3.4
145.10141	18.2
147.11708	16.1
149.09645	5.6
149.13297	7.2
157.10153	8.8
159.11665	9.7
161.13237	6.1
163.11194	6.0
163.14825	5.1
169.10017	5.8
171.11731	7.4
173.11766	4.5
173.13228	7.2
175.11140	4.7
175.14813	7.9
177.16394	5.6
183.05658	3.4
185.13284	6.8
187.14711	5.2
189.11201	7.6
193.12219	24.3
197.13324	4.4
227.12704	6.9
245.22591	7.0
263.23785	8.0
267.15915	43.9
275.20255	5.6
289.21597	5.5
303.26761	14.1
326.32016	4.0
337.27383	40.3
358.89633	3.7
404.72464	4.3
437.33939	6.8
440.93079	3.8
455.35129	26.3
456.56653	4.2
473.36130	14.4
529.38867	70.5
530.38959	7.8
547.32104	5.0
547.39935	83.3
548.40216	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	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03945	5.5
55.01860	3.5
55.05513	23.7
57.03439	10.8
57.07072	4.2
59.04992	1.1
59.45521	0.7
62.55474	0.7
65.03938	5.0
66.02974	0.7
67.05504	95.6
67.07376	0.8
68.05836	1.4
69.03427	1.0
69.07069	27.1
71.04991	6.4
71.08614	0.8
73.03269	0.7
77.03926	1.8
78.69281	0.8
79.05493	58.8
80.05830	1.2
81.03419	2.8
81.07056	100.0
82.07399	2.4
83.04989	4.9
83.08622	14.6
85.06547	4.8
89.90282	0.8
91.05479	38.1
93.07043	66.1
94.07381	1.3
94.59441	0.7
95.04971	6.8
95.08607	56.4
96.08939	1.1
97.06532	10.3
97.10166	5.2
98.06881	1.0
98.23367	1.9
99.08106	3.0
103.05469	0.9
105.04531	1.8
105.07032	30.0
107.04962	1.4
107.08595	38.8
108.08941	1.3
109.06539	2.7
109.10151	25.2
110.10475	0.7
111.08100	4.7
111.11719	0.9
113.09676	1.0
115.05418	1.2
117.07014	12.4
119.08585	26.0
121.06535	1.3
121.10142	29.4
123.08099	2.3
123.11708	11.1
125.09650	1.6
127.11314	0.7
129.07037	3.3
131.08566	20.8
131.75385	0.8
133.10130	19.9
134.10493	0.9
135.08041	1.8
135.11688	19.5
137.09607	2.2
137.13263	2.9
138.37529	0.7
139.11186	1.3
143.08569	4.1
145.10126	12.8
147.11697	14.6
149.09622	2.1
149.13252	25.0
151.11191	1.5
155.08575	2.0
157.10121	5.1
159.11699	16.6
161.13260	7.8
163.11263	1.1
163.14821	5.1
165.12773	3.2
169.10158	2.2
171.11720	4.1
173.11765	2.2
173.13297	7.9
173.97888	0.7
175.14864	3.3
177.12827	5.2
177.14146	0.9
177.16376	1.2
179.14427	0.9
183.11745	2.1
185.13286	3.4
187.14876	4.6
191.14333	1.0
193.12231	0.9
195.11987	1.2
195.13783	9.5
197.13289	1.3
199.14890	2.4
201.16338	0.9
211.14815	1.2
213.14738	1.2
229.14420	2.9
229.26305	0.8
235.83664	0.7
243.15717	0.8
243.21123	3.5
247.20636	1.9
253.17848	0.7
259.20657	3.1
261.22150	23.3
262.22595	1.1
263.23703	1.0
267.15933	5.6
269.17456	27.9
270.17743	1.2
271.18936	1.0
274.71323	0.9
275.20215	0.9
277.21631	1.8
279.23126	1.7
287.23645	2.1
299.23734	1.8
301.25311	4.0
317.24924	3.8
333.24490	1.4
335.25790	26.0
336.26193	1.2
343.26263	1.2
375.29153	1.5
419.33206	1.5
437.34003	7.4
455.35254	9.5
456.35504	0.9
473.36258	7.1
503.37228	1.8
511.37494	1.4
519.02234	0.8
529.38873	49.6
530.38983	4.8
547.39917	26.7
548.40924	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	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02511	2.7
53.03947	7.0
55.01877	3.9
55.05516	45.1
57.02255	2.7
57.03436	9.7
57.07068	10.6
65.03930	6.0
67.05508	100.0
67.97484	2.9
69.01535	28.2
69.03427	6.6
69.07066	35.5
71.05003	31.2
71.08631	4.8
79.05495	71.0
81.03419	32.1
81.07060	90.6
83.04991	10.7
83.08627	35.4
85.06543	5.4
91.05488	49.8
93.07043	63.2
94.84258	2.7
95.04974	35.7
95.08607	63.8
97.06538	8.3
97.10164	25.6
98.23420	4.5
105.07028	35.3
107.04970	11.7
107.08604	40.2
109.06495	3.7
109.10155	41.8
111.04415	3.6
111.08118	9.1
117.07034	12.3
119.08581	35.5
121.06522	9.3
121.10135	23.3
123.08080	6.4
123.11730	11.6
125.09634	11.3
129.07018	10.2
131.08563	26.5
133.10118	18.3
135.08083	7.2
135.11703	16.6
137.09625	8.3
143.08609	5.5
145.10149	20.5
147.08115	4.6
147.11716	12.6
149.09642	4.7
149.13234	6.9
155.10623	3.1
157.10150	9.3
159.11674	7.2
161.13300	7.7
163.11189	8.0
163.14813	4.2
166.93703	3.0
169.12256	4.0
173.11765	4.8
173.13226	7.2
175.11177	4.7
177.12675	3.6
187.14836	4.8
189.11275	9.4
193.12227	15.1
211.13278	5.6
227.12770	13.2
245.22565	4.5
263.23599	4.3
267.12079	13.8
267.15869	28.8
287.24030	3.1
289.21750	5.6
301.25351	3.8
303.23624	4.1
303.26892	13.2
337.27371	25.8
437.34061	6.5
452.32016	3.2
455.35016	25.0
473.36115	12.1
503.37241	6.9
515.36981	8.5
529.38959	60.4
530.39038	4.4
547.40125	85.3
548.40808	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	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01870	4.6
55.05512	28.4
57.03439	12.2
57.07080	4.9
59.05001	2.3
65.03931	4.4
67.05506	100.0
69.03441	3.1
69.06747	2.4
69.07117	43.5
71.05008	6.4
71.08636	2.7
79.05495	54.0
81.03416	48.4
81.03855	3.1
81.07057	99.9
83.04989	13.0
83.08618	30.3
85.02899	21.9
85.06583	2.1
91.04915	2.7
91.05479	43.8
93.07045	41.3
93.63164	2.3
95.04972	24.8
95.08605	57.5
97.02930	2.6
97.06533	6.8
97.10188	9.0
98.77908	2.0
99.08133	2.7
105.07034	30.3
107.04960	3.0
107.08587	17.9
109.06517	3.1
109.10154	26.1
111.04424	2.4
111.08091	10.6
111.11681	2.4
113.06040	2.5
117.07029	4.1
119.08575	27.3
121.10134	15.3
123.08029	2.5
123.11734	8.1
125.09634	4.5
129.07022	9.8
131.08560	14.2
133.10123	17.2
135.08081	2.5
135.11737	7.5
137.09650	2.7
137.13264	3.0
142.07791	2.8
145.10153	4.8
147.08084	3.0
147.11694	16.8
149.09669	7.2
149.13257	4.2
157.10126	10.7
161.13293	4.9
163.11282	2.6
163.14873	2.4
165.12663	3.4
175.11198	13.9
175.14851	3.6
177.16475	2.6
193.12241	47.0
201.29146	2.4
211.13298	47.5
211.15129	3.3
213.14801	2.0
263.23865	8.7
267.15741	4.2
285.17172	3.3
301.24921	2.0
337.27496	3.8
368.00745	2.3
402.96402	2.3
455.35129	3.9
473.36017	4.0
529.38660	13.0
547.39954	98.3
548.40125	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	548.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04327	2.7
67.05509	3.6
69.03431	24.5
70.22126	2.4
79.05478	3.8
81.07069	5.3
85.02920	8.0
86.09725	3.2
86.96601	2.7
91.05473	3.0
97.02890	81.0
98.22527	4.4
101.33671	3.1
104.10766	3.7
105.07031	4.8
107.08669	3.9
121.06502	21.7
127.03911	4.1
153.01793	4.0
157.04959	21.7
160.03984	3.3
165.86272	3.0
178.04977	25.7
184.07375	9.7
206.04544	4.6
217.07083	8.8
229.58682	3.1
238.07101	9.9
251.33728	3.4
287.05499	100.0
288.05826	7.4
297.08521	3.5
400.12430	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	548.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01878	0.6
55.05517	5.7
57.03444	5.0
57.07086	3.1
60.08160	1.9
62.06093	0.5
67.05509	6.9
69.05835	3.0
69.06243	1.0
69.07069	9.2
71.04980	0.6
71.07359	1.0
71.08634	3.2
79.05503	4.0
81.07056	11.4
82.07373	0.7
83.04988	0.7
83.08624	5.2
85.06554	1.2
86.09713	8.0
91.05485	3.0
93.07047	6.3
95.04950	0.9
95.08612	10.4
96.08913	0.6
97.06538	2.5
97.10168	1.6
98.98483	4.1
99.08090	1.2
104.10765	2.8
105.07012	3.6
107.08594	11.4
108.08929	0.5
109.06508	5.1
109.10166	5.2
111.08092	2.1
119.08582	4.7
121.10159	7.1
123.08076	14.2
123.11687	2.2
125.00002	4.5
131.08566	0.9
133.10126	2.8
135.08098	0.5
135.11678	2.4
137.09637	1.2
137.13225	0.6
145.10146	2.2
147.11700	1.5
149.13240	2.6
151.14795	0.5
159.11684	1.3
161.13271	1.0
163.14781	1.4
165.12798	0.8
167.14345	3.3
175.14828	0.9
177.16368	3.7
179.14313	18.7
180.14737	0.9
184.07352	27.2
185.07739	0.7
193.15903	0.7
201.16364	0.7
216.06369	0.6
263.20184	0.6
277.21652	3.7
291.23184	1.6
305.28271	0.7
333.27887	14.9
334.28043	0.8
349.27261	0.8
351.28946	7.1
371.29340	1.6
376.32117	1.0
389.30441	4.1
407.31555	100.0
408.31879	7.3
487.28098	1.2
505.28799	1.7
530.36108	0.6
548.39227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.9
57.03419	4.0
57.07071	8.1
60.65799	3.2
62.30093	3.3
65.03940	3.5
67.05510	83.4
68.05858	5.0
69.07073	29.6
71.08633	10.4
71.31110	3.2
71.31748	2.9
76.00432	2.7
79.05490	28.1
81.07058	100.0
83.04976	3.2
83.08633	17.3
85.02954	3.1
85.06538	3.9
88.07623	3.0
91.05482	19.2
93.07047	27.0
95.01344	3.7
95.05017	3.8
95.08614	82.8
97.06510	4.6
97.10168	13.7
99.08138	4.3
103.38306	3.3
105.07027	15.2
107.08578	17.1
109.10163	34.4
111.08084	5.6
111.11726	7.5
119.08595	8.5
121.10151	23.5
123.11721	15.4
131.08347	3.7
133.10123	15.8
135.11711	9.8
137.13266	9.1
139.11157	3.1
141.01859	6.2
143.93500	3.3
147.11642	6.0
149.02380	7.3
149.13298	6.3
151.14813	7.4
155.14301	3.6
161.13249	7.2
163.14836	8.1
165.16397	7.1
175.14835	5.2
179.18037	8.0
189.16405	5.9
193.04918	7.0
237.07573	7.6
245.22690	49.8
263.23724	54.4
264.24280	3.9
337.27396	38.3
338.34412	4.8
548.39789	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	32.4
55.55889	9.1
56.48124	10.3
57.03433	21.3
62.81712	8.8
67.05512	78.5
69.07069	14.0
75.91399	9.3
79.05502	52.7
81.03384	9.8
81.07064	100.0
83.08613	38.0
85.02896	12.9
85.06608	11.7
91.05497	59.3
93.07053	76.3
93.93900	9.2
95.04958	10.9
95.08610	48.1
105.07057	41.3
107.07969	9.0
107.08590	56.5
109.10171	40.5
111.36552	10.1
117.07070	14.6
119.08582	30.0
121.10147	24.7
125.09625	10.6
131.08623	28.9
133.10114	16.7
135.11697	25.8
145.10181	11.6
147.11716	18.4
149.13243	22.2
159.11752	11.0
161.13333	18.1
162.62691	10.3
174.18079	10.7
175.14955	11.5
177.12781	11.3
184.07373	12.3
201.31291	10.7
229.14410	16.8
241.19455	27.9
259.20584	22.4
269.17548	28.2
277.21555	20.6
351.25241	61.3
423.27597	19.1
549.29889	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
56.05027	1.1
57.03420	0.5
58.06597	1.4
60.08165	16.4
66.45686	0.4
67.05503	3.6
69.07064	1.9
69.33511	2.4
70.06570	0.7
70.71541	0.3
71.07369	8.0
79.05490	1.3
81.07061	3.3
83.08620	1.3
86.09705	48.4
87.10036	0.5
91.05480	0.8
93.07030	1.2
95.05159	0.4
95.08610	2.4
97.10154	0.7
98.98460	5.2
104.10744	91.8
105.11080	0.9
105.18938	0.4
106.95764	0.4
107.08585	1.3
108.75896	0.4
109.10150	1.2
119.08599	0.6
121.10139	0.8
125.00005	28.2
129.07367	0.4
163.01570	0.5
179.43350	0.4
181.32803	0.5
184.07341	100.0
185.07719	1.3
258.10999	1.0
365.30276	0.6
375.51480	0.4
406.39227	0.4
407.31830	2.0
530.35974	6.9
531.36060	0.5
537.64612	0.4
545.99371	0.4
548.37103	22.3
549.37396	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	549.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.4
57.02703	0.3
58.62013	0.4
67.05498	0.8
69.15236	3.1
69.76264	0.5
79.05492	0.7
81.03429	0.9
81.07085	1.0
86.09725	0.7
91.05478	0.4
93.07076	0.9
94.40191	0.4
95.08629	0.5
96.01896	1.8
102.85667	0.4
105.07046	0.7
107.08633	0.6
109.02856	0.4
110.07156	0.4
119.05016	0.4
119.08659	0.5
121.06548	1.0
131.08594	0.7
141.05273	0.8
144.12021	0.4
153.01834	0.9
159.11707	0.4
161.13287	0.7
169.04727	5.4
178.02451	1.7
178.04919	0.5
184.07353	0.9
203.02296	0.8
209.04852	0.5
217.12421	0.7
221.08658	0.9
238.15207	0.4
239.09525	3.3
249.11006	4.9
257.10507	2.3
265.07632	1.2
283.08621	1.3
291.12177	1.7
321.13226	0.7
351.14182	0.5
377.15555	2.1
393.15219	6.3
493.17648	0.5
517.16876	2.0
531.29303	2.1
549.19275	100.0
550.19763	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	549.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.7
65.37015	0.2
67.05492	0.5
69.81381	0.8
75.54973	0.2
79.05488	0.4
81.07069	0.3
85.02897	0.3
91.05501	0.4
95.05025	0.3
95.08603	0.3
96.01882	1.5
97.06530	0.2
98.23263	0.4
105.07026	0.4
107.04942	0.3
141.05263	0.4
153.01753	0.3
169.04727	5.1
178.02382	1.7
184.07436	0.3
233.11534	0.3
239.09645	0.7
249.10973	3.0
257.10666	0.7
283.08609	0.5
291.12103	1.2
321.13062	0.5
351.14047	0.6
359.15024	0.3
377.15649	1.6
393.15161	4.4
394.15851	0.3
517.16895	1.8
531.18268	0.2
531.29333	1.0
549.19391	100.0
550.19727	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	549.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96590	0.5
65.14614	0.4
69.05292	2.7
69.17447	0.3
96.01885	1.3
141.05231	0.5
145.10266	0.4
169.04718	4.9
178.02386	1.7
189.39090	0.3
233.11588	0.5
239.09468	0.5
249.11000	3.1
257.10641	0.5
267.44247	0.4
291.12097	0.9
305.85379	0.4
351.14224	0.6
377.15875	2.0
393.15146	5.9
453.31671	0.4
517.16632	2.4
531.29449	1.0
549.19409	100.0
550.19745	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	549.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08481	0.4
52.53564	0.4
55.05508	0.8
67.05499	1.2
69.03395	3.6
69.07081	0.5
73.45569	0.5
74.16133	0.4
79.05499	1.0
81.03411	0.8
81.07064	1.8
91.05505	1.9
93.07063	1.7
95.04980	0.8
95.08608	1.4
97.02890	0.4
105.07036	2.0
107.08591	2.7
109.10139	0.7
119.08593	1.4
121.06530	0.4
121.10133	0.7
131.08554	0.7
133.10141	2.2
135.11719	1.6
137.09630	0.6
139.03625	0.4
143.08516	0.4
145.10129	0.7
147.11739	1.3
172.06326	0.4
173.13312	1.4
175.14871	1.3
177.01637	0.5
189.16414	4.2
192.07928	0.8
217.15935	2.1
219.06320	0.4
221.04224	9.9
221.06297	0.7
223.05823	2.2
247.05786	3.2
265.06842	30.7
266.07098	0.9
284.66516	0.5
307.22461	1.6
379.24600	0.7
421.29584	0.7
471.26825	0.6
489.28345	0.6
495.27148	1.2
507.29294	1.2
513.28400	1.2
531.29333	13.9
532.29657	1.5
549.30371	100.0
550.30707	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	550.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.2
51.02385	1.8
53.03944	5.3
55.01876	1.5
65.03913	1.0
70.34005	2.1
70.34383	2.0
77.03936	2.1
79.05496	3.5
89.03934	3.0
91.05484	25.5
93.03391	1.1
93.07050	22.8
94.00043	0.9
95.04977	7.1
98.22649	1.0
103.05473	28.0
104.06300	4.9
105.03386	2.0
105.04523	1.9
105.07048	7.2
106.04174	1.0
107.04972	9.1
115.05466	5.7
117.03402	4.6
117.07046	1.3
118.04145	2.2
119.04971	4.1
120.05724	5.1
121.06512	100.0
122.06853	1.5
130.04158	2.4
131.04932	35.6
132.05722	37.9
133.02858	7.6
133.06522	8.1
134.03683	1.5
135.04420	3.1
136.07593	2.7
143.04924	2.3
144.05801	1.3
145.02901	2.4
145.06544	1.8
146.03609	2.1
147.04419	8.7
148.05202	4.6
149.05978	8.5
150.05528	2.8
154.06313	2.8
157.06544	1.9
158.07246	2.1
159.04462	4.2
159.08109	2.5
160.05209	18.0
161.02341	3.9
161.05968	23.4
162.06775	2.3
163.03906	11.7
163.07545	5.2
165.05516	2.4
167.07063	14.8
171.04457	3.4
173.02344	1.2
173.05988	2.9
175.03867	2.1
176.04713	2.8
177.05496	16.2
178.04922	8.7
179.05695	1.5
179.06981	6.8
180.07823	6.2
181.08652	5.8
182.09479	1.1
187.03951	4.5
191.07039	34.5
192.07822	97.1
193.08609	12.1
199.03900	21.0
200.04436	1.6
201.05524	4.4
205.06552	2.4
207.06482	6.8
207.95633	1.1
208.07298	2.3
209.08055	12.3
210.08882	3.8
210.90657	1.1
216.06616	2.7
217.04962	2.2
219.07977	2.4
233.06033	4.2
247.07578	3.0
250.06256	2.0
251.09177	11.5
252.09909	19.7
261.05429	1.9
262.47052	1.1
265.08664	2.3
278.05911	2.8
279.06674	2.0
289.04752	1.3
293.08221	2.8
298.10782	26.1
299.11212	1.9
303.06555	2.1
311.09137	1.4
319.09775	4.3
321.07565	32.4
322.08078	2.1
323.09177	1.5
325.10757	1.4
336.12399	2.9
353.10199	49.8
354.10553	3.3
371.11215	2.9
396.14514	1.6
413.12463	9.4
490.18835	1.5
508.19812	2.8
550.20740	50.7
551.21033	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	550.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	0.6
57.03434	2.6
61.02907	1.8
69.03100	0.5
69.03433	5.6
69.11530	2.7
69.11932	1.1
73.02876	0.5
75.50033	0.4
81.03404	2.5
85.02909	7.8
87.61545	0.5
89.03918	3.5
91.05476	6.2
93.07047	6.9
95.04964	1.5
97.02901	4.9
99.04455	0.7
103.05469	6.4
105.04498	1.0
109.02896	1.2
117.03387	15.5
119.04931	2.0
120.05746	0.5
121.06510	41.0
121.84850	0.5
122.06870	1.0
127.03899	2.1
134.03616	0.5
135.04443	1.5
137.05960	0.8
145.02847	50.5
146.03210	1.3
147.04416	1.3
149.05991	5.6
151.07547	1.5
153.01801	1.1
162.03108	5.7
163.03859	1.1
164.07137	0.6
167.06892	0.6
171.04449	0.7
173.02405	0.6
173.05887	0.5
174.03146	0.6
175.03857	1.4
177.05473	100.0
178.05922	2.7
187.07622	0.7
194.08159	1.1
215.07108	1.5
219.06531	8.1
233.08128	0.8
239.09497	0.9
251.09154	26.2
252.09589	0.8
303.05157	0.5
314.13864	14.7
388.17548	74.0
389.18024	4.0
404.60818	0.5
516.54669	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	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25241	0.2
56.05042	0.8
58.06363	0.2
58.06617	0.6
59.07393	0.2
60.08166	7.1
66.09731	0.2
67.05516	0.4
69.07060	0.2
69.16672	0.7
69.17090	0.5
71.07375	3.4
79.05499	0.2
79.37009	0.2
81.07047	0.5
86.09708	31.5
87.10033	0.4
91.05487	0.5
93.07059	0.2
95.08592	0.2
95.96151	0.2
98.90094	0.2
98.98465	3.2
104.10747	7.6
105.07041	0.2
107.08538	0.2
125.00007	23.0
126.39085	0.2
134.49796	0.2
142.24350	0.2
143.01126	0.2
184.07347	100.0
185.07704	1.3
225.04356	0.2
239.09459	0.4
258.10931	0.3
434.40091	0.2
437.83804	0.2
452.23883	0.3
491.79712	0.2
532.30420	1.4
550.23181	0.3
550.31293	3.3
550.39337	0.1
551.28680	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	550.387
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.58006	0.2
55.05510	0.4
56.05032	0.7
57.07079	0.3
58.06375	0.3
58.06618	0.5
60.08169	5.7
61.19832	0.2
66.97583	0.2
67.05514	0.5
69.07069	0.5
69.59636	0.5
69.60012	1.0
70.06570	0.3
71.07377	3.7
80.97398	0.3
81.07073	0.4
82.71478	0.2
86.09710	31.0
87.10039	0.5
95.08614	0.3
98.98462	3.9
104.10749	3.0
109.10199	0.5
113.26303	0.2
121.10175	0.2
125.00009	22.1
143.01117	0.3
161.29019	0.2
184.07350	100.0
185.07724	1.4
251.75272	0.2
256.26385	1.1
283.07169	0.2
346.93234	0.2
532.37341	0.9
546.08032	0.2
550.38568	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	550.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
56.05024	2.2
57.07069	1.8
58.06605	0.9
58.50747	0.6
60.08162	16.0
67.05495	1.6
69.07056	2.0
70.06577	0.6
71.07363	7.1
71.08611	0.6
79.05479	1.3
81.07047	2.4
83.08625	1.6
86.09704	46.0
91.05449	0.7
93.07010	0.8
95.08612	1.3
96.65674	0.5
97.10120	0.8
98.23373	1.6
98.98473	3.6
99.90833	0.5
104.10741	85.8
105.11089	1.2
109.10143	1.1
114.93777	0.5
121.10125	0.9
124.18713	0.6
125.00002	28.8
132.79651	0.6
134.81221	0.5
143.01057	0.8
163.01530	0.6
175.24557	0.6
182.37064	0.5
184.07336	100.0
185.07715	1.4
198.27933	0.7
216.06650	0.5
218.73230	0.6
256.26401	2.3
258.11072	0.7
259.16888	0.6
269.61249	0.5
367.31619	0.8
515.37091	0.7
532.37476	6.5
550.38538	23.2
551.38928	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	550.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.2
55.05509	30.3
57.03440	29.4
57.07078	15.8
67.05183	8.5
67.05509	100.0
69.07076	32.1
71.04991	12.9
79.05502	61.4
81.03434	7.8
81.07063	78.8
83.04987	20.4
83.08630	18.6
85.06528	7.1
91.05473	41.0
93.07052	92.3
95.08624	57.6
97.06529	17.3
97.10180	15.8
98.23360	13.2
105.07043	25.3
106.71034	5.8
107.08599	47.7
109.10178	25.2
111.08117	6.7
117.07029	5.9
117.10476	5.7
119.08589	17.2
121.10143	28.8
131.08575	11.5
133.10149	19.6
135.11703	57.8
137.09615	8.8
140.84171	5.3
145.10133	12.2
147.11742	10.2
149.13257	12.1
153.12766	10.8
161.13322	6.7
163.11324	6.9
173.13330	7.1
181.12250	15.5
199.13083	5.9
255.15915	98.6
261.22134	13.3
335.25897	64.2
353.96902	6.7
413.33041	5.8
515.37476	57.6
532.40424	12.8
550.41284	19.5
551.42401	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81720	0.4
57.07079	8.4
58.06595	1.8
63.22233	0.5
68.05849	0.5
69.07070	0.9
70.06598	12.7
71.06928	0.5
71.08624	1.9
71.24438	0.5
71.29321	0.6
71.29760	0.5
72.08157	0.7
72.31517	0.6
81.07046	0.7
83.08627	0.7
85.10184	1.1
86.06042	0.6
86.08986	0.4
87.04481	0.8
88.07635	15.4
95.08624	0.5
98.23309	0.6
99.04452	2.0
100.07647	0.6
102.09187	12.6
105.07024	1.0
108.31667	0.6
111.54076	0.5
119.08554	1.0
131.08539	0.5
135.24548	0.5
157.10118	0.6
159.11717	1.1
161.09627	3.8
163.11279	0.6
175.11156	1.2
188.08298	1.5
189.16475	0.5
203.10712	4.4
203.14404	0.6
217.15833	1.6
219.17424	5.5
254.24782	2.6
256.26361	100.0
257.26724	3.9
259.14288	1.0
259.16937	15.7
259.19687	0.9
260.17389	1.1
263.75116	0.5
274.27460	2.8
303.19604	3.2
370.48499	0.6
476.37216	2.3
532.43610	19.9
532.51672	1.1
533.43756	1.5
547.07574	0.6
550.36005	0.3
550.44684	9.3
551.44733	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	551.2105
Annotation	SC-1
Peak:m/z	Relative Intensity
51.71828	0.3
57.77798	0.3
65.50806	0.3
71.30090	0.5
73.02921	0.3
76.18057	0.3
81.03442	0.6
87.82747	0.3
91.05489	0.4
110.07172	0.5
111.00590	0.5
121.10143	0.5
139.03928	1.0
153.01823	1.0
162.02902	1.7
169.04723	1.3
194.54543	0.3
267.12134	1.6
340.33914	0.3
349.16446	0.5
395.16660	0.6
411.16406	1.6
489.21011	4.1
490.21658	0.5
491.18887	1.5
533.19867	0.4
551.21008	100.0
552.21313	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	551.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28217	0.2
53.87337	0.3
67.05493	0.3
70.84430	0.3
74.86266	0.3
86.09745	0.4
95.08640	0.3
112.45277	0.3
126.27986	0.3
131.33990	0.3
149.02388	0.8
150.39494	0.3
157.41751	0.3
165.96675	0.3
166.30508	0.2
182.62576	0.3
184.07338	1.5
193.04961	0.3
240.46275	0.3
259.07965	0.4
316.17603	0.3
389.23010	2.9
389.27222	0.4
551.28253	100.0
552.28650	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	551.283
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
53.79380	0.4
58.11897	0.4
67.05489	0.5
68.25652	0.4
74.46758	0.4
77.99811	0.4
79.05499	0.4
81.07065	0.8
84.06785	0.3
136.79732	0.4
137.28900	0.4
138.34239	0.4
176.15392	0.3
203.05275	0.7
259.08096	0.8
275.56686	0.4
389.22961	2.5
474.83878	0.4
551.28290	100.0
552.28552	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	551.283
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
66.17634	0.4
69.22982	2.9
73.54168	0.4
79.05524	0.4
81.07084	0.8
86.09720	2.1
104.10723	0.4
125.00010	1.2
150.27489	0.4
168.94241	0.5
180.97830	0.6
184.07344	6.7
186.95313	0.4
200.88535	0.4
203.05334	0.8
228.96196	0.5
255.06776	0.5
259.08020	1.1
276.82700	0.4
317.08646	0.6
389.23010	1.0
551.28302	100.0
552.28522	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	551.3193
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
52.18033	0.4
55.05518	0.5
58.80376	0.4
67.05504	2.6
69.07077	0.8
69.38505	2.1
71.04995	0.7
79.05511	1.6
81.03442	0.8
81.07072	3.0
83.08628	1.0
91.05486	1.4
93.07029	2.9
95.04990	0.7
95.08623	1.4
97.06556	0.5
98.23328	0.8
105.07068	0.9
107.08603	1.5
119.08561	0.7
121.10155	0.6
131.08560	0.5
141.77203	0.4
149.09581	0.8
149.13268	0.6
157.10124	0.5
221.50938	0.5
235.13075	1.7
246.88885	0.5
267.15833	0.5
283.15158	10.8
284.15506	0.5
291.15756	1.6
339.17755	6.0
551.31927	100.0
552.32275	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	551.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23967	0.7
61.06961	0.9
67.05509	3.1
69.07082	1.4
71.05009	2.3
71.30231	1.1
75.05314	0.9
76.34926	0.7
79.05499	1.6
81.03435	1.3
81.07071	3.6
85.02861	0.9
91.05489	2.4
93.07067	2.2
95.08614	1.1
117.91235	1.0
119.08558	1.1
121.06512	1.7
133.10147	1.2
183.66905	0.9
251.12636	3.6
267.15704	4.4
283.15399	1.2
307.15283	1.7
323.14896	1.3
323.18390	6.0
336.40311	1.1
345.95047	0.9
551.31970	100.0
552.32336	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	551.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13320	5.4
53.03947	7.9
55.05507	20.8
56.89824	5.0
57.07071	24.1
58.31518	5.0
67.05512	40.8
69.07091	29.2
69.07412	5.1
69.30965	25.3
69.31374	10.3
71.08643	9.2
78.69536	5.1
79.05500	24.0
81.07071	40.1
83.08654	12.4
85.10161	6.0
91.05468	36.1
93.07063	54.3
95.04974	6.3
95.08609	56.5
98.23322	10.9
105.07038	72.9
107.08607	57.5
109.10172	45.0
117.06995	14.8
119.08589	100.0
121.10152	41.1
123.11681	11.1
129.06978	9.9
130.07797	10.0
131.08569	29.4
133.10150	53.9
135.11696	46.5
142.07739	9.0
143.08556	24.4
144.09373	10.1
145.10136	67.8
147.11667	19.1
155.08548	7.0
156.09410	12.0
157.10100	43.6
159.11691	44.9
161.13217	11.5
169.10161	12.9
171.11700	25.1
173.13251	27.4
175.14835	34.5
179.08611	8.3
183.11737	11.3
185.13293	17.2
187.14867	16.9
195.11716	11.9
197.13260	20.2
199.14803	10.5
201.16374	10.3
207.11742	7.9
208.86334	6.0
209.13252	9.2
210.14070	5.9
211.14836	18.2
223.14917	10.4
237.16356	7.5
373.03854	5.8
379.34048	6.7
392.68640	5.7
551.42267	38.6
551.50244	11.9
568.62012	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	551.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.05518	14.9
57.07084	11.0
59.80690	2.6
65.03957	2.0
67.05508	33.3
69.07066	21.6
69.56706	6.5
69.57124	4.3
71.08614	4.2
79.05499	28.4
81.07056	51.1
81.28295	2.0
83.05004	3.6
83.08627	9.8
85.06548	4.5
91.04909	2.1
91.05485	45.2
93.07050	57.2
94.29441	2.0
95.04980	5.1
95.08612	50.5
97.06530	1.9
97.10173	2.5
103.05470	5.0
105.04538	2.0
105.07034	75.1
107.08598	61.6
109.06510	3.5
109.10162	43.0
111.08043	2.7
115.05437	5.9
117.07000	17.6
119.08586	100.0
120.08910	2.0
121.10145	56.5
123.08107	2.7
123.11716	13.6
128.06244	4.4
129.06999	13.3
130.07814	5.7
131.08569	31.6
133.10138	53.6
135.10789	3.7
135.11705	37.2
137.09607	4.0
141.06987	3.1
142.07764	16.0
143.08551	22.5
144.09497	3.8
145.10129	67.7
147.11670	21.9
149.09589	3.4
149.13257	6.8
153.07013	4.6
155.08585	11.2
156.09274	13.9
157.10143	32.4
158.10860	4.7
159.11687	33.6
161.13315	10.1
163.11166	2.6
163.14851	2.4
165.06874	2.2
167.08594	6.3
168.09393	2.5
168.77621	1.8
169.10106	19.4
170.10893	6.1
171.11700	19.8
172.12384	3.0
173.13254	20.9
175.14841	34.1
176.15135	1.9
179.08574	7.0
180.09511	2.4
181.10139	8.3
182.10840	4.7
183.11694	15.7
184.12431	4.9
185.13286	16.9
187.14830	13.0
187.40509	2.1
189.16335	4.7
191.14502	2.5
193.10144	7.4
193.12225	2.0
194.10936	3.4
195.11658	12.5
196.12524	4.6
197.13257	22.0
199.14835	8.5
201.16341	13.3
206.10974	3.1
207.11743	7.9
208.12430	5.6
209.13332	12.4
210.14003	2.9
211.14786	10.6
213.16431	6.4
217.16010	2.1
219.11752	3.9
219.17413	3.2
220.12433	3.9
221.13179	6.5
222.14014	2.3
223.14784	11.0
225.16351	5.0
227.17990	3.0
233.13231	4.3
235.14859	4.9
237.16385	5.1
239.17926	5.1
241.19560	4.5
245.13388	2.7
245.84003	1.9
247.14848	4.1
249.16483	2.7
251.17902	3.8
255.21312	2.3
257.19101	2.1
259.20636	3.0
261.16422	3.0
263.17966	3.0
265.19626	4.0
267.20999	4.4
275.17935	3.7
277.19623	3.1
279.20917	3.0
285.16379	2.4
285.22192	3.4
287.17941	2.2
291.21045	2.9
331.24637	2.3
345.25748	4.0
411.30261	2.9
429.31537	4.2
453.35568	2.2
533.41479	6.7
551.42493	31.8
551.50458	3.8
552.42474	3.7
552.55676	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	552.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
57.03435	1.1
59.85339	0.5
69.03411	0.8
69.23346	0.5
69.46922	2.2
69.47340	0.9
79.05499	1.6
81.03397	0.6
81.85636	0.5
84.04506	0.6
85.02917	3.7
95.01353	1.3
95.04989	3.0
97.02892	1.1
101.07474	0.5
105.03397	100.0
106.03706	2.5
109.02861	0.5
123.04427	3.9
131.03391	0.5
141.01840	3.2
161.06035	1.0
163.04008	0.7
168.74303	0.6
176.09877	0.6
177.03329	1.1
179.07037	29.8
180.07378	0.9
193.08617	1.0
197.08105	39.7
198.08426	1.0
214.05032	0.5
244.78827	0.5
327.21887	0.6
333.95438	0.6
355.10507	0.7
478.56863	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	552.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03435	0.9
61.25187	1.0
63.16165	1.0
65.88617	1.1
68.57487	1.1
69.03434	1.6
69.20850	0.9
69.60307	4.3
79.05502	4.7
85.02908	6.0
89.03938	1.3
91.05509	1.7
95.04998	2.3
97.02876	1.1
98.22651	1.4
103.05476	5.3
105.03413	5.9
105.07037	49.1
107.04970	1.7
115.05447	8.8
115.06004	0.8
116.62445	1.0
118.04192	4.7
127.03902	1.6
131.04919	1.4
133.06500	47.8
134.06834	1.4
143.05052	1.4
143.06096	4.4
145.04959	1.8
161.05991	100.0
162.06314	2.5
162.07565	1.0
179.07094	3.2
180.08638	1.6
193.08618	77.8
194.08981	3.3
197.08116	2.1
201.02048	1.0
337.23364	1.0
437.98254	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	552.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.3
67.05473	0.3
69.83826	0.5
69.84209	0.7
71.04964	0.3
79.05447	0.7
80.04967	0.3
81.03371	0.3
81.24229	0.2
89.71825	0.2
91.05437	0.9
93.05761	0.3
93.07029	1.6
94.06573	2.2
94.07148	0.3
94.07374	0.2
95.04913	0.4
95.07354	1.9
96.08144	3.6
97.06503	0.4
97.98545	0.2
103.05407	0.3
103.86694	0.2
106.06546	0.4
108.08125	3.7
110.09687	6.9
118.06470	0.4
120.04465	4.0
120.08118	5.3
121.06445	0.3
122.06004	1.1
122.09607	0.5
123.06770	0.5
124.07536	1.0
132.08031	0.3
136.06662	0.2
136.07579	4.1
137.95947	0.2
138.09146	9.2
146.05989	0.6
148.07600	1.3
150.05478	0.6
150.09093	0.9
151.06308	0.3
152.07130	1.4
152.10657	0.8
162.05507	0.3
162.09062	0.4
164.07034	0.7
166.08647	8.8
172.03882	0.2
174.08994	0.2
176.10707	0.5
180.10135	0.6
182.11707	0.6
184.07387	0.2
190.05003	0.4
192.06578	0.4
194.08112	1.4
195.09204	0.3
196.09827	0.6
197.10693	1.1
198.11554	0.3
204.06448	0.3
209.10722	0.7
210.11565	0.4
211.08618	0.4
211.12296	0.9
212.09439	0.9
212.12698	0.3
213.10168	0.9
221.10744	0.7
222.07855	0.3
222.11583	0.3
223.08673	1.5
223.12262	0.9
224.09401	1.6
224.12961	0.4
225.10220	3.9
226.10936	1.0
227.11763	1.0
233.10706	0.8
234.11446	0.4
235.08597	2.1
235.12210	0.5
236.09415	1.5
237.10220	7.8
238.10919	2.4
239.08160	2.1
239.11792	4.2
240.12395	0.6
241.09734	1.1
245.12888	0.8
248.09413	1.8
249.10217	6.5
250.11018	2.4
251.08130	4.1
251.11778	6.6
252.08882	0.8
252.12505	1.4
253.09703	5.7
253.13501	0.5
254.10336	0.6
255.11304	1.1
261.10190	3.6
262.10977	1.4
263.08209	0.8
263.11777	3.3
264.08865	0.8
264.12418	0.4
265.09726	10.1
266.10416	2.2
267.11279	6.2
268.11960	0.7
269.09146	0.8
269.12851	0.7
271.10831	2.8
273.12308	0.6
274.07477	0.3
276.08823	0.7
277.09717	3.1
278.06973	0.4
278.10474	3.9
279.07663	3.6
279.11243	10.6
280.08685	0.4
280.11920	2.4
281.09183	2.8
281.12817	2.0
282.09912	0.9
282.13321	0.4
283.10809	7.3
283.14029	0.4
284.11389	0.6
285.12335	0.7
287.13913	1.6
289.09705	6.6
290.10330	0.8
291.07959	0.4
291.11172	2.3
292.08459	0.3
292.11774	0.4
293.09195	2.3
293.12827	3.8
294.10013	6.4
294.13242	0.6
295.10785	4.8
295.14124	0.4
296.11505	2.7
297.08923	0.5
297.12247	1.7
298.09427	0.6
299.10208	2.2
299.13580	0.4
300.10959	0.4
305.09244	0.3
306.09814	1.6
307.10815	2.3
308.11652	1.2
309.08929	0.5
309.12247	3.1
310.13040	0.8
311.10239	6.6
311.13882	2.5
312.10980	3.3
313.11838	2.4
314.12610	2.4
315.13373	0.3
316.14493	0.3
317.09247	0.9
319.10544	0.3
321.08813	0.4
321.12259	1.0
322.09540	0.3
323.10818	1.1
323.13852	1.1
324.11032	2.0
325.11743	1.4
326.08997	0.5
326.12607	5.4
327.13385	9.1
328.13824	1.0
334.09525	0.3
335.10242	8.9
336.10809	0.5
337.08194	0.3
337.11807	0.8
339.13400	55.4
340.10449	2.6
340.13831	3.2
341.15173	0.4
346.15762	0.3
349.11682	0.3
352.10480	1.0
353.11200	1.1
354.12091	4.7
355.12888	16.3
356.13403	0.9
357.14572	0.4
367.12894	37.1
368.13214	2.5
370.15561	0.4
371.12079	0.4
371.16412	0.3
374.14615	0.4
386.14786	0.8
387.15527	1.0
388.16464	0.4
390.18195	0.3
399.15744	0.7
400.16449	0.3
402.18066	0.4
404.15985	0.4
418.17520	0.5
432.19693	0.3
436.18826	0.7
442.23782	0.3
444.19168	0.6
447.17868	0.5
448.18466	0.3
451.20987	1.0
460.18948	1.7
464.17926	0.6
470.16980	0.5
474.20032	0.4
476.21637	0.3
479.20502	2.3
480.20639	0.4
488.18179	13.2
489.18283	0.9
492.21347	6.4
493.21710	0.5
502.19983	0.7
520.20795	100.0
521.21094	8.3
552.23480	5.5
553.24780	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	552.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89387	1.0
55.01875	1.3
57.03432	3.7
58.99583	3.4
59.05003	9.7
61.02913	1.4
61.61659	1.1
65.03920	1.2
67.05511	5.2
69.03437	8.7
69.16882	8.2
69.49972	0.9
70.53242	1.0
71.04997	4.3
71.93132	1.0
73.01150	2.5
73.02962	1.1
74.00675	1.3
76.02220	5.2
79.05507	3.4
81.03434	1.5
81.07076	5.7
85.01141	1.1
85.02892	9.7
85.06577	2.3
86.06066	1.3
86.99065	2.3
87.04465	11.3
88.02212	7.0
88.04000	3.7
91.02188	5.0
91.05484	4.7
93.07045	10.2
95.04984	9.0
95.08612	9.0
97.02896	2.5
97.06533	2.2
99.02662	1.3
99.08146	1.3
100.02213	7.2
101.00598	5.3
105.00115	3.3
105.07039	6.6
107.08587	11.2
109.02917	1.6
109.06519	4.7
109.10167	2.7
113.09666	1.3
116.01662	2.7
117.07086	1.7
119.01646	76.3
119.08587	5.9
121.06507	2.5
121.10157	5.7
122.02729	38.8
123.08069	4.9
123.11706	2.9
125.04288	1.1
125.09655	4.1
127.02154	4.3
127.03931	1.6
131.08604	6.6
132.01131	1.4
133.10118	4.5
134.02753	1.8
135.07985	2.3
137.09639	2.6
139.11191	4.9
141.09091	6.1
143.08575	1.1
143.10678	1.5
143.67560	1.1
145.03145	4.1
145.04990	1.1
145.10132	13.7
146.02716	8.8
147.11681	6.3
148.96437	1.1
149.09602	12.7
153.01837	1.8
157.10194	3.0
159.11710	1.4
161.09625	2.1
162.02182	1.8
163.05768	1.2
163.11195	5.5
164.03752	2.7
165.12744	3.2
172.04295	2.7
173.09576	1.3
173.13292	4.0
175.11241	2.2
177.05536	4.4
182.10881	1.4
187.11328	1.1
187.14867	2.5
190.05389	4.8
191.03709	12.5
191.14343	3.1
198.05861	3.6
199.04303	1.3
208.06392	62.0
211.09673	5.5
215.14371	7.7
233.15364	8.8
238.10817	1.8
251.16406	9.4
265.12506	1.3
336.16364	4.7
354.17346	13.0
355.17267	1.1
372.14899	0.6
372.18393	27.3
390.19446	100.0
391.19907	5.2
516.22974	1.7
534.23517	2.8
552.24744	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	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05042	1.0
57.03439	0.3
58.06634	0.5
59.07401	0.3
60.08168	7.3
67.05527	0.8
70.06582	0.1
71.07377	3.6
79.05497	0.5
79.89915	0.2
81.03438	0.3
81.07072	0.8
86.09709	32.9
87.10029	0.6
91.05493	0.4
91.07301	0.2
93.07052	0.7
95.04961	0.2
95.08622	0.3
95.34190	0.1
97.06554	0.2
98.98476	3.7
104.10750	13.4
105.07030	0.5
105.11085	0.2
107.08598	0.3
119.08558	0.3
120.08121	0.2
121.06508	0.4
121.10106	0.3
125.00010	24.4
133.49921	0.2
138.09123	0.3
143.01077	0.2
147.11659	0.2
157.10046	0.2
166.08632	0.2
181.67169	0.2
184.07350	100.0
185.07722	1.3
189.12830	0.3
217.12202	0.2
235.13199	0.2
237.10069	0.2
258.10980	0.4
265.09549	0.2
279.07471	0.2
279.11328	0.3
280.11975	0.2
294.09723	0.2
300.56241	0.2
308.24472	0.2
311.10187	0.2
322.29227	0.2
326.12473	0.2
335.10153	0.2
339.13361	1.2
355.12817	0.2
367.12744	0.6
429.11737	0.2
434.23120	0.2
452.24197	1.2
516.30615	0.3
520.20746	2.2
521.20947	0.3
534.32001	1.7
552.24152	0.2
552.32983	3.7
553.29578	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	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05024	0.8
58.06609	0.6
59.94935	0.2
60.08166	10.3
65.65629	0.2
67.05490	0.5
67.15322	0.2
70.06620	0.2
71.04974	0.2
71.07375	4.7
79.05484	0.2
81.03445	0.2
81.07041	0.7
85.10201	0.2
86.09707	37.7
87.10035	0.5
91.05480	0.6
93.07047	0.4
95.08604	0.4
98.22611	0.6
98.98464	4.2
104.10744	32.0
105.07027	0.5
105.11079	0.5
107.08624	0.3
109.10176	0.4
116.99458	0.2
119.08588	0.2
121.10162	0.2
125.00004	25.2
131.08516	0.2
143.01074	0.4
184.07343	100.0
185.07726	1.6
191.37939	0.2
258.11041	0.8
272.45023	0.2
351.25208	0.2
452.24286	0.5
516.30548	0.3
534.31976	2.7
552.33118	8.7
553.33252	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	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02467	0.5
55.05496	1.4
56.05017	1.9
58.06582	1.3
60.08163	18.5
63.74800	0.6
67.05497	1.3
69.07066	1.0
70.74839	0.8
71.07363	7.4
79.05479	1.0
81.03394	0.7
81.07028	2.2
83.08610	0.8
85.02919	0.9
86.09705	52.4
91.05456	1.6
93.07027	1.4
95.08595	1.0
98.98459	4.8
104.10741	100.0
105.07007	1.2
105.11045	1.3
125.00001	29.8
133.10178	0.7
147.11720	0.9
163.01692	0.6
184.07341	95.8
185.07698	1.4
250.06046	0.7
447.49103	0.7
460.54434	0.8
534.31909	7.4
552.33148	28.3
553.33026	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	552.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.2
55.05508	7.2
56.05029	3.6
57.07078	3.1
60.04526	4.9
67.04250	1.8
67.05513	12.4
68.05033	1.5
69.07077	9.1
71.08640	2.8
73.23846	1.4
75.73566	1.7
79.05497	9.4
80.05021	4.4
81.05830	1.9
81.07080	12.0
82.06586	7.8
83.08631	4.7
91.05505	7.8
93.07042	9.8
94.06577	16.0
95.07362	9.0
95.08605	10.5
96.08147	5.6
97.10186	3.6
105.07028	5.3
107.08604	5.7
108.08112	2.8
109.10190	3.5
119.08613	4.6
121.10152	4.7
122.09685	2.2
133.10161	3.8
135.11714	2.1
152.81833	1.5
161.13356	2.0
233.22647	4.7
245.22734	3.4
250.25348	8.7
262.25314	100.0
263.25797	3.9
272.25824	5.3
280.26334	14.1
296.13455	1.7
350.39288	1.7
516.47791	10.3
534.48743	4.5
552.50134	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	553.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14751	2.4
69.93085	2.0
71.30225	4.2
94.93023	19.0
96.92867	4.1
112.49766	2.3
117.67506	2.5
153.37303	3.0
186.91771	3.4
202.89148	9.6
204.87079	13.5
204.88939	7.0
205.81180	2.2
206.86848	5.2
210.94080	100.0
212.85182	4.3
250.89473	2.8
251.03035	5.9
290.92776	3.0
314.85638	4.3
344.85516	3.9
346.85620	2.9
381.07999	8.8
437.02737	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	553.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64159	18.6
51.85373	14.4
53.49525	16.4
55.01279	14.6
71.29310	30.2
90.23630	18.0
124.94695	16.4
145.11633	18.4
168.36911	19.4
202.89041	29.4
210.94138	26.4
322.96970	50.8
437.02463	100.0
553.11987	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2779
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
56.18099	2.7
69.18568	2.4
69.73714	12.2
95.08594	2.7
120.73542	2.9
140.24446	2.4
317.18146	2.7
340.44485	2.4
513.77289	3.2
553.27802	100.0
554.28198	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	553.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
83.34090	1.7
98.22585	4.4
98.63921	1.8
107.84045	1.8
134.08464	1.6
203.05287	3.1
229.33478	2.2
259.07938	2.2
331.10126	2.9
335.27002	1.9
373.14899	2.6
483.22412	2.9
553.29858	100.0
554.29980	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	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
50.39299	0.2
67.05495	0.2
68.12080	0.2
70.83018	0.2
75.09404	0.2
81.07059	0.5
83.37419	0.2
96.01886	0.2
97.02660	0.4
132.19661	0.2
157.04779	0.5
184.03412	0.4
185.04222	3.1
201.03712	1.5
259.07935	0.8
275.07410	1.5
301.09052	0.6
331.10004	4.2
332.10141	0.3
345.11642	0.6
359.13168	0.5
373.14700	0.8
377.67520	0.3
387.16461	0.5
391.24597	0.7
401.17960	0.5
408.09937	0.2
415.19458	1.3
437.21436	0.2
441.21002	0.6
455.22873	0.5
462.12845	0.2
483.22119	1.9
535.28369	0.4
553.29816	100.0
554.30145	8.0
554.38666	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	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
59.45102	1.0
69.03435	2.4
70.32744	1.2
70.33073	2.5
81.03431	1.3
85.02916	10.0
97.02969	2.0
114.17596	1.0
115.05461	2.6
117.07031	1.2
127.03896	1.9
128.06221	3.3
129.06137	1.4
129.07014	19.1
130.25504	0.9
131.04918	1.7
131.08562	2.7
140.89587	0.8
143.05013	0.9
144.05670	1.9
145.04944	2.4
145.06468	2.4
146.07233	3.0
155.04903	3.2
157.06496	6.5
158.07288	3.1
159.04356	1.4
160.05168	3.2
161.05885	1.1
172.05162	3.9
173.05957	3.2
174.06775	30.8
175.07541	12.7
177.05495	1.5
178.87453	1.1
187.07556	20.3
188.08238	1.1
189.09111	24.2
201.05417	1.5
203.07031	3.9
205.04965	3.8
205.08539	1.1
215.07011	14.2
233.08096	100.0
234.08432	4.3
251.09189	13.0
476.38626	1.0
505.96179	0.9
554.19562	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	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.13354	0.6
57.03432	1.5
61.02934	1.2
69.03439	2.4
69.04115	4.7
76.48784	0.7
81.03387	1.4
85.02910	10.9
91.05470	0.7
97.02897	2.9
106.63931	0.6
109.02908	0.8
115.05438	2.3
117.07030	1.4
127.03903	1.8
128.06232	3.2
129.06114	1.2
129.07013	12.3
131.04912	1.1
131.08563	2.5
136.91026	0.7
137.05949	2.4
143.04939	0.8
144.05690	2.3
145.04967	2.0
145.06468	1.6
146.07304	1.3
155.04951	4.1
157.06517	6.2
158.07280	3.0
159.04411	1.1
160.05211	2.4
161.05989	0.9
161.09602	1.8
162.03123	0.8
165.05563	0.8
172.05205	2.1
173.06017	4.7
174.06775	23.6
175.07565	9.9
177.05530	0.8
183.04398	1.6
187.07556	18.5
188.08034	0.8
189.09116	22.8
201.05479	1.9
203.07022	3.2
205.04935	4.3
206.20442	0.7
207.06555	1.5
215.07001	11.9
219.10121	1.4
233.08095	100.0
234.08594	4.0
251.09192	15.4
252.09482	1.2
283.13379	1.6
309.11322	0.8
332.98645	0.7
333.55472	1.1
402.80359	0.7
407.23096	1.1
425.23932	1.2
473.27975	1.0
491.28894	5.8
492.29440	0.8
554.28687	8.7
555.30853	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	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.6
59.83531	2.1
85.02904	6.2
86.64769	2.0
91.05458	5.6
95.05003	2.8
97.02928	2.7
103.05464	10.0
105.07085	3.1
107.04957	4.1
114.09153	7.4
115.05444	6.2
121.06522	6.3
122.03624	4.5
123.04458	4.0
128.06218	5.5
129.06990	20.9
131.04951	18.5
133.06528	3.2
137.05980	39.0
138.06364	2.6
139.03944	3.8
144.05650	3.5
145.02869	2.9
147.04420	3.1
147.08025	2.9
149.05946	4.8
151.03908	8.6
151.07568	2.9
153.01878	5.4
157.06496	8.0
158.07224	2.6
160.05225	3.8
161.05966	8.8
163.07561	37.9
167.07008	3.1
174.06783	23.3
175.07550	96.7
176.07817	2.9
177.05475	7.1
177.09102	9.3
179.07013	3.2
181.04955	3.4
181.08524	2.7
181.91655	2.5
187.07550	21.2
189.09108	32.0
191.07027	7.4
201.05530	3.9
203.07066	7.6
205.04898	4.7
205.08672	10.7
209.07999	3.5
215.06996	14.9
217.08693	3.3
221.05998	3.8
225.09082	4.8
233.08092	100.0
234.08414	3.2
235.09665	41.8
236.10037	3.2
251.09148	19.1
253.08565	10.1
285.11160	22.5
297.11096	3.8
309.11197	4.2
327.12198	25.0
339.11710	2.9
341.13803	9.2
345.13297	23.5
357.13547	2.4
377.15887	10.6
514.05408	2.5
555.27045	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	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36742	0.4
56.43492	0.4
57.03443	0.8
61.02938	0.8
69.03429	1.5
81.03411	1.0
85.02912	6.1
97.02887	2.3
99.04459	0.5
110.10388	0.4
110.62431	0.4
115.05424	1.0
117.07058	1.1
127.03912	1.2
128.06187	2.4
129.07011	11.3
131.04932	0.8
131.08597	1.9
143.08519	0.5
144.05702	1.1
145.04982	0.6
145.06491	1.7
146.07286	1.4
155.04942	3.1
156.05798	0.5
157.06500	5.3
158.07291	3.6
159.04462	1.0
160.05223	2.1
161.06046	0.6
161.09645	1.1
168.14566	0.5
172.05197	2.1
173.05977	1.7
174.06776	24.1
175.07568	9.9
177.05515	0.9
180.08675	1.4
183.04436	1.2
187.07564	18.6
188.08180	1.3
189.09122	24.7
201.05493	2.0
203.07037	2.5
205.05019	3.7
215.07042	11.8
216.07413	0.6
233.08105	100.0
234.08424	3.0
240.78949	0.5
251.09172	26.9
252.09528	0.9
261.53561	0.4
456.27136	0.5
474.52716	0.5
538.98755	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	554.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04491	4.5
52.80686	4.4
55.48886	4.9
69.29905	28.3
78.43449	4.0
86.39406	4.9
89.24591	4.5
91.05528	3.9
105.03333	5.2
106.75018	4.2
112.76999	4.4
153.34619	4.6
262.09967	4.8
267.10114	5.9
269.08157	5.5
279.10364	4.5
282.12527	5.4
284.06979	7.4
285.07407	6.7
295.09622	12.0
297.07626	5.6
299.09094	6.1
310.12033	18.5
311.09183	9.9
313.10535	7.8
315.08377	5.8
325.10574	21.2
326.11487	15.5
327.08588	8.7
329.09860	5.1
339.12686	6.0
340.13004	31.2
341.10123	11.8
341.13824	18.6
342.10870	17.7
351.12332	11.9
356.12521	19.7
357.13147	7.1
358.10187	5.4
366.14560	11.4
371.14874	51.6
373.12793	22.2
383.14856	14.9
397.16333	8.4
415.17511	100.0
416.17664	6.1
449.72061	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	554.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.2
55.01883	4.2
55.05507	7.4
57.03449	2.7
57.09521	1.0
59.05007	1.0
65.03941	2.2
67.05508	8.0
69.03432	13.0
69.07076	8.9
69.73572	3.1
69.73958	2.0
71.04999	8.4
73.02943	1.7
73.06523	1.2
79.05494	27.1
81.03075	1.0
81.03426	28.7
81.07063	49.5
83.04996	6.7
85.02904	8.3
85.06554	7.7
91.04917	0.8
91.05481	27.7
93.07046	68.1
95.04988	10.9
95.08617	3.8
97.02893	10.3
97.06535	20.6
99.04459	26.3
101.06039	3.7
103.05449	1.4
105.04552	1.8
105.07036	51.6
107.04948	6.8
107.08591	14.9
108.04498	4.3
109.02882	12.1
109.06522	35.6
109.10158	1.5
111.00829	2.1
111.04453	4.0
113.06023	2.0
115.05450	3.1
115.07552	1.5
117.07018	4.4
119.04932	1.5
119.08578	34.8
121.06512	81.3
121.10152	3.2
122.06844	1.8
123.04414	2.7
123.08050	2.0
125.05998	3.0
127.03919	14.3
127.07554	16.4
128.06212	5.0
129.07036	10.4
130.07744	1.5
131.04990	1.6
131.08580	10.8
133.06482	10.6
133.10143	15.1
135.04427	10.8
135.08066	5.1
137.05977	11.7
139.03896	1.3
139.07529	15.4
141.05499	2.3
141.07028	3.7
142.07770	15.3
143.08578	25.6
145.05038	1.3
145.06467	3.9
145.10127	19.8
145.67409	1.7
147.04372	1.9
147.08035	9.7
147.11688	41.9
148.12059	1.7
149.06003	3.6
149.17134	1.2
151.07541	2.9
155.08543	6.1
156.09346	17.4
157.06516	2.3
157.10132	44.5
158.07300	2.5
158.10498	1.5
159.08089	4.4
159.11674	8.5
160.08865	1.7
161.06012	3.5
161.09627	8.4
161.13269	12.1
165.07028	4.0
166.07816	6.1
169.10118	3.4
171.08109	3.2
171.11705	46.0
173.09583	8.0
173.13182	2.6
174.10283	1.2
175.07628	2.4
175.11188	21.3
177.09209	1.5
178.74930	1.2
181.05022	1.4
181.10086	6.4
183.08067	1.5
183.11621	1.4
184.07365	2.0
184.08871	3.0
185.09618	1.7
187.11244	6.9
189.12747	40.2
190.13263	1.4
191.07092	2.5
191.10728	2.9
193.12210	2.3
197.09619	2.0
199.06071	2.1
199.11177	29.4
200.11647	1.8
201.09164	1.7
203.07027	1.7
205.08574	2.0
205.12230	2.1
207.06471	1.6
207.13808	25.3
208.14014	2.0
215.10754	4.9
217.08803	2.7
217.12238	85.5
218.12567	4.2
229.08578	3.6
231.06471	5.9
235.13292	100.0
236.13670	3.2
239.10835	1.5
241.12149	1.5
247.09648	2.4
249.07637	4.4
253.14362	14.4
254.14824	1.2
267.08710	1.4
283.13199	3.4
295.26312	1.5
297.14844	3.6
301.14279	2.6
307.13235	1.6
315.15887	3.7
319.15494	1.6
325.14279	4.0
333.17175	1.7
343.15427	11.9
361.16516	9.8
379.17554	22.6
380.17841	1.5
397.18790	2.3
554.30371	9.8
555.27820	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	554.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.5
57.07090	6.3
59.03877	5.6
67.05499	18.7
69.03432	15.1
70.00973	5.0
79.05497	16.8
81.03401	13.2
81.07058	61.3
83.04971	5.4
83.54138	4.9
83.93011	6.1
85.02921	10.0
86.09707	13.0
91.05482	21.3
93.07047	21.5
95.04990	6.9
95.08615	40.4
97.10206	10.9
104.93337	5.7
105.07047	37.9
107.08601	20.7
107.64664	6.1
109.02909	7.5
109.10138	16.8
111.04435	7.2
116.24117	5.5
117.07009	5.7
119.08579	100.0
121.10152	24.7
123.11742	7.3
125.00051	6.9
127.03896	8.8
131.08527	12.6
133.10115	24.5
145.10159	9.1
147.11734	11.9
149.95726	5.9
157.10158	11.3
159.11699	27.6
161.12120	5.1
161.13242	36.5
184.07375	18.9
187.14813	8.3
189.16388	90.7
190.16682	6.0
199.14954	11.6
206.38181	6.1
217.15894	33.1
235.17059	12.7
249.08008	6.2
325.18051	10.1
343.19025	14.4
361.20041	18.6
379.21268	12.4
457.26270	6.7
554.29724	25.5
555.30768	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
57.03440	1.4
57.07106	1.0
61.02934	1.7
67.05515	2.7
69.03428	5.4
69.07066	8.3
69.17071	6.3
70.06589	1.3
70.56866	0.9
71.04994	2.4
75.35519	0.9
79.05503	2.7
81.03431	2.3
81.07063	11.3
83.08642	5.8
85.02918	19.7
85.06546	1.1
91.03954	1.0
91.05486	1.4
93.07050	7.3
95.08612	25.3
97.02883	5.2
97.10184	4.4
99.08118	8.5
105.07044	2.6
107.08604	27.0
109.02905	1.3
109.10169	5.5
111.08101	4.5
119.08572	1.1
121.10155	41.6
125.09663	3.0
127.03934	3.9
135.11708	9.5
137.13274	4.6
140.00189	1.0
145.04967	8.1
149.13266	3.3
149.79332	0.9
163.06049	3.8
165.69020	0.9
177.16402	100.0
178.16731	3.4
195.17480	21.4
196.04459	1.0
213.18509	35.1
214.18794	1.1
259.08279	1.8
266.14908	0.8
282.24072	1.0
355.20526	1.2
393.14063	3.3
476.88443	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	554.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38505	9.1
55.05528	26.8
56.51892	8.4
57.03437	13.4
67.05504	63.8
69.07079	19.6
79.05485	17.5
81.07055	90.6
85.06567	16.6
91.05499	10.2
93.07032	16.4
95.08605	90.2
95.31385	8.5
105.07035	13.1
109.10157	10.7
118.58024	8.3
123.11686	7.9
147.11676	14.7
257.17526	100.0
337.27286	89.9
337.30255	8.4
519.40460	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37289	2.5
54.69680	3.0
55.05517	6.0
57.07080	31.8
59.98792	2.3
67.05505	6.1
68.80946	2.3
69.06917	19.0
71.08641	28.4
72.89208	2.5
73.06557	7.1
79.05509	4.9
79.26162	2.3
81.07067	7.1
83.08647	4.8
85.10188	20.1
87.04473	5.9
89.05486	4.9
89.06039	100.0
91.28394	2.9
93.07027	3.2
95.08624	3.6
97.10182	7.0
99.11770	3.5
107.07099	4.9
111.11693	3.9
117.09166	4.8
119.08588	3.1
131.07013	2.6
132.16640	2.5
133.08611	49.5
155.49300	2.4
177.11235	21.1
211.24397	3.3
221.13913	2.6
299.29453	4.8
327.20203	9.3
537.43561	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.293
Annotation	Acrovestone
Peak:m/z	Relative Intensity
61.16645	2.1
63.33824	2.3
67.05518	3.7
69.97017	7.7
75.82866	2.2
81.07060	5.0
85.10978	2.3
95.08633	4.3
97.01180	2.5
98.22746	3.7
98.49194	2.4
98.98468	5.4
100.72102	2.2
104.10798	2.3
104.24947	2.2
155.01074	6.0
191.48170	2.6
225.02457	2.6
303.43054	2.5
474.18707	2.9
555.29303	100.0
556.29700	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	555.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.8
67.05522	1.1
71.29456	0.8
71.70863	0.7
81.03450	1.2
81.07054	1.6
84.24989	0.7
84.28140	0.6
85.02929	0.6
92.10273	0.7
93.07018	0.9
95.08597	1.1
97.02911	2.4
105.07035	0.8
107.08654	0.9
109.06476	0.9
119.01067	1.5
119.08601	0.9
120.08127	1.0
121.06553	1.3
121.10137	0.7
138.09145	0.7
149.05853	0.7
193.04828	2.8
236.13643	1.1
253.06870	2.9
289.09808	0.9
324.02542	2.8
325.03223	2.6
339.13327	0.9
340.13931	1.9
341.13934	1.9
342.14365	2.1
356.13074	0.9
357.13342	0.9
358.14111	1.0
368.13361	0.8
369.13593	1.5
370.13840	1.6
424.80356	0.8
449.32629	0.7
451.30502	4.1
475.33817	0.8
493.35223	3.8
495.22061	1.3
495.33157	1.6
498.82651	0.8
521.21228	1.1
523.21613	11.7
524.22430	0.9
537.34332	1.1
555.11188	51.2
555.27551	19.6
555.35107	100.0
556.11621	7.8
556.27844	1.7
556.35443	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	555.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03713	0.6
53.03945	6.1
55.01871	6.0
55.05511	23.7
56.77361	0.5
57.03437	3.6
57.07059	0.7
59.04989	0.5
59.78538	0.5
65.03946	4.0
66.04711	0.5
67.05505	43.5
68.05845	0.5
69.03422	2.1
69.07066	13.7
71.05000	2.3
73.06548	0.7
77.03909	1.2
79.05492	63.1
79.18005	0.4
80.05806	1.1
81.03421	6.5
81.07055	100.0
82.07390	1.4
83.04984	6.8
83.08617	14.8
85.06532	3.1
89.31741	0.4
91.05479	44.4
92.05802	0.9
93.07043	36.7
94.07381	0.9
95.01367	0.7
95.04965	16.7
95.08606	24.9
97.06530	6.9
97.10153	2.5
98.23441	1.0
99.08086	2.4
99.65106	0.5
100.37987	0.4
103.05484	1.4
105.04519	2.0
105.07029	36.2
106.07358	0.6
107.04951	8.4
107.08594	18.2
108.08970	0.9
109.06519	41.9
109.10154	7.3
110.06866	0.8
111.08087	3.7
113.09672	0.5
115.05450	1.8
115.78513	0.5
116.74632	0.5
117.07023	10.8
119.08581	28.8
120.08962	0.8
121.06483	3.7
121.10142	12.4
123.08061	6.5
123.11729	3.7
125.09642	1.0
127.07484	0.6
128.06212	1.7
129.07007	8.6
130.07768	0.8
131.08569	12.4
133.06453	1.4
133.10130	16.7
135.08057	3.7
135.11703	4.8
137.05855	0.4
137.09593	2.5
137.13216	0.6
141.06990	2.0
141.09067	0.5
142.07832	0.8
143.08542	6.0
145.06465	1.1
145.10110	13.0
147.08060	1.7
147.11682	19.8
149.09630	5.1
149.13251	9.1
151.07498	1.0
151.11186	1.1
155.08569	2.2
157.10126	3.5
159.08058	0.7
159.11685	6.8
161.09668	2.7
161.13271	6.2
163.11189	6.8
163.14830	4.8
165.09088	0.5
165.12767	3.1
167.08659	0.5
169.10109	2.4
171.07939	0.6
171.11693	11.2
173.09558	0.8
173.13237	3.1
175.11151	1.4
175.14809	1.2
177.12762	1.1
179.14262	2.2
181.10196	1.3
183.10217	0.7
183.11621	2.2
185.13272	1.0
187.11156	1.3
187.14813	1.8
189.12718	4.4
189.16400	0.5
191.10687	1.1
193.10617	0.5
193.12195	2.6
195.11746	0.5
197.13284	1.6
199.11208	0.5
201.12746	1.0
201.16222	0.6
207.13802	8.2
208.61803	0.5
211.14842	1.1
215.17917	1.0
217.15846	0.6
219.13892	0.7
219.17368	0.8
219.21121	0.7
225.14766	0.7
229.19516	3.9
229.31934	0.6
239.17978	2.4
247.20589	6.6
257.19009	5.2
260.04196	0.5
263.16425	1.0
275.20047	63.4
276.20459	2.8
281.17462	1.8
293.21075	8.0
294.21420	0.6
311.23477	0.6
331.22705	0.5
349.23651	3.1
351.23181	0.5
355.25995	0.7
427.28735	0.6
429.30264	2.4
463.31723	1.3
481.33047	1.4
527.37018	0.8
537.35602	3.7
555.36798	35.6
556.37146	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	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
61.24722	0.4
65.03938	2.3
69.03428	6.8
70.63446	0.9
76.02710	0.5
85.02912	5.3
87.04470	4.9
91.05484	100.0
92.05827	1.5
97.02898	9.8
109.02840	0.5
115.03934	6.4
121.06484	1.4
127.03886	0.9
133.04980	9.0
137.02382	0.5
145.05023	0.7
150.07538	1.2
167.03439	1.0
181.91588	0.5
217.08601	0.6
219.80016	0.5
220.69746	0.5
245.08092	3.6
263.06656	0.5
316.63449	0.6
334.88031	0.5
426.74249	0.5
453.83917	0.6
556.27972	1.9
557.28912	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	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	30.9
58.20477	6.3
59.77044	6.3
69.03440	9.4
71.30859	9.8
81.03435	9.6
81.41910	6.3
85.02905	13.2
91.05476	7.7
97.02948	10.5
99.08407	6.9
99.36147	6.5
103.05466	20.7
121.06490	7.3
123.04420	11.5
127.03964	7.4
131.04967	54.0
137.05975	51.3
147.04373	11.3
151.03935	6.9
152.73747	6.7
161.05975	19.5
163.07547	100.0
167.07076	20.1
175.07590	8.8
179.07060	10.0
181.08635	25.2
189.21783	7.3
198.15135	7.3
198.92392	7.4
207.10201	8.5
211.75212	6.6
221.65999	6.8
244.96863	8.1
301.97366	9.0
309.11258	15.0
359.14874	15.2
360.10458	7.4
375.91937	8.2
556.26831	13.0
557.29346	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27581	1.3
51.65382	1.5
51.99844	1.3
58.90843	1.3
69.03430	3.1
69.71793	4.0
69.72186	3.2
69.79351	1.4
70.06587	3.2
81.07043	1.6
85.02911	9.5
86.09707	1.6
91.05439	1.5
91.44043	1.3
94.04207	2.5
97.02911	1.6
103.05480	1.9
109.06531	1.7
115.05464	4.0
122.03650	4.7
125.06001	2.7
128.06250	1.8
129.06998	6.4
130.56905	1.5
131.04919	3.6
137.05983	100.0
138.06328	1.9
143.04910	7.6
145.06474	1.6
146.39351	1.7
151.03886	3.0
151.07556	2.2
153.05473	4.1
157.06476	7.2
158.07233	1.7
160.05228	14.8
163.07512	2.0
172.05232	4.5
174.06818	7.3
175.07553	68.1
176.07887	2.6
187.07553	52.2
188.08003	2.1
188.42386	1.4
189.09068	13.5
191.88489	1.4
193.08748	1.5
199.07544	3.4
203.08572	3.0
205.08600	13.5
211.07590	1.7
217.08643	19.1
219.08139	6.1
227.07095	1.5
231.08005	7.0
232.08810	1.9
235.09590	10.6
236.08385	2.3
239.07146	2.1
240.07791	2.0
241.08830	1.8
247.07625	3.6
248.08368	7.4
251.10760	4.0
259.07629	2.5
260.08160	1.8
261.09180	2.1
263.10663	6.0
264.07886	2.5
265.08563	2.9
270.08936	5.3
271.09680	10.1
276.07819	3.3
277.08603	2.9
279.10138	9.4
280.10843	2.8
283.09647	3.3
291.10074	18.2
292.10721	1.7
293.08206	2.8
296.10431	5.6
308.10568	3.2
311.12741	16.4
323.12787	34.9
329.60150	1.9
341.13861	52.6
342.14255	1.9
503.18893	1.7
559.79089	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41895	3.1
55.01886	3.1
62.32662	2.4
68.45740	2.3
69.33673	15.0
70.06588	12.2
79.05508	4.0
81.03416	4.3
85.02918	5.5
91.05476	22.4
93.07066	2.7
95.04991	4.1
103.05471	32.1
105.03435	4.1
105.07050	13.0
107.04984	3.1
109.06511	2.4
115.05497	4.6
117.07087	2.9
119.04954	29.7
122.03685	5.8
123.04443	2.6
123.08069	3.8
129.07040	8.2
131.04933	83.8
133.02901	5.4
133.06496	15.0
137.05984	100.0
138.06328	4.2
139.03879	3.6
145.06476	3.9
147.04445	11.9
149.05997	4.0
151.07568	15.3
153.01778	3.3
157.06514	8.5
160.05168	5.0
161.05988	49.4
162.06776	3.4
163.07555	45.2
165.05551	5.4
172.05273	2.7
175.07555	55.8
175.10069	2.3
179.07028	15.9
187.07556	31.5
189.09128	16.1
199.07547	2.6
203.08572	2.9
205.08583	12.4
217.08658	6.8
219.08197	5.9
231.08028	4.8
235.09721	7.1
251.10655	5.0
263.10693	3.4
270.08978	2.8
271.09631	4.3
279.10159	5.7
291.10190	10.2
309.11319	6.9
311.12820	13.0
323.12677	14.7
341.13864	15.6
350.83087	2.9
363.03891	5.5
389.36099	2.6
392.07654	2.4
402.30957	2.9
465.16443	2.6
472.48724	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	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	30.9
58.20477	6.3
59.77044	6.3
69.03440	9.4
71.30859	9.8
81.03435	9.6
81.41910	6.3
85.02905	13.2
91.05476	7.7
97.02948	10.5
99.08407	6.9
99.36147	6.5
103.05466	20.7
121.06490	7.3
123.04420	11.5
127.03964	7.4
131.04967	54.0
137.05975	51.3
147.04373	11.3
151.03935	6.9
152.73747	6.7
161.05975	19.5
163.07547	100.0
167.07076	20.1
175.07590	8.8
179.07060	10.0
181.08635	25.2
189.21783	7.3
198.15135	7.3
198.92392	7.4
207.10201	8.5
211.75212	6.6
221.65999	6.8
244.96863	8.1
301.97366	9.0
309.11258	15.0
359.14874	15.2
360.10458	7.4
375.91937	8.2
556.26831	13.0
557.29346	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41895	3.1
55.01886	3.1
62.32662	2.4
68.45740	2.3
69.33673	15.0
70.06588	12.2
79.05508	4.0
81.03416	4.3
85.02918	5.5
91.05476	22.4
93.07066	2.7
95.04991	4.1
103.05471	32.1
105.03435	4.1
105.07050	13.0
107.04984	3.1
109.06511	2.4
115.05497	4.6
117.07087	2.9
119.04954	29.7
122.03685	5.8
123.04443	2.6
123.08069	3.8
129.07040	8.2
131.04933	83.8
133.02901	5.4
133.06496	15.0
137.05984	100.0
138.06328	4.2
139.03879	3.6
145.06476	3.9
147.04445	11.9
149.05997	4.0
151.07568	15.3
153.01778	3.3
157.06514	8.5
160.05168	5.0
161.05988	49.4
162.06776	3.4
163.07555	45.2
165.05551	5.4
172.05273	2.7
175.07555	55.8
175.10069	2.3
179.07028	15.9
187.07556	31.5
189.09128	16.1
199.07547	2.6
203.08572	2.9
205.08583	12.4
217.08658	6.8
219.08197	5.9
231.08028	4.8
235.09721	7.1
251.10655	5.0
263.10693	3.4
270.08978	2.8
271.09631	4.3
279.10159	5.7
291.10190	10.2
309.11319	6.9
311.12820	13.0
323.12677	14.7
341.13864	15.6
350.83087	2.9
363.03891	5.5
389.36099	2.6
392.07654	2.4
402.30957	2.9
465.16443	2.6
472.48724	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	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01871	8.1
55.05511	26.5
57.03432	17.4
57.07076	58.6
58.06589	2.3
61.36569	2.6
67.05505	24.9
69.04519	19.9
69.07061	14.5
70.06585	19.4
71.04985	4.2
71.08626	35.2
79.05496	18.2
81.03418	12.1
81.07056	31.8
83.01351	10.1
83.04985	9.1
83.08624	17.0
85.06588	2.4
85.10178	21.3
88.07648	6.4
89.06036	15.4
91.05474	12.8
93.07050	19.6
95.04995	6.8
95.08598	29.7
97.02855	4.3
97.06538	3.8
97.10175	9.7
99.04464	2.8
100.94089	2.1
102.09155	2.6
103.05477	2.6
105.07044	9.8
107.04971	7.5
107.08613	8.4
109.06607	5.2
109.10159	12.5
111.11658	2.2
117.07010	5.4
119.08575	6.0
121.06478	4.0
121.10169	7.5
123.08078	9.6
123.11708	3.7
131.08565	2.5
132.10239	3.6
133.08623	4.9
135.08061	4.2
135.11674	11.0
145.10118	14.3
146.11798	5.3
155.80438	2.3
163.11186	24.7
173.09656	3.1
181.12308	2.3
209.11769	11.2
227.12828	6.1
252.09836	2.3
256.26300	12.2
267.40945	2.1
283.15384	98.1
283.26303	36.8
284.15622	4.5
300.28943	22.6
311.29544	6.0
313.27325	100.0
314.27780	6.2
371.22708	4.6
521.38385	54.4
522.39117	6.4
556.52985	87.5
557.53198	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	556.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01863	2.4
55.05517	9.2
57.03436	8.3
57.07083	42.2
63.11243	2.0
67.05516	18.8
69.07080	13.3
69.43731	7.0
69.44151	3.9
70.06604	16.3
71.08634	26.9
73.02897	2.6
73.26824	2.0
79.05494	15.0
81.07059	21.6
83.08641	14.8
84.08154	2.6
84.82302	1.8
85.10186	15.0
86.09709	5.3
88.07638	9.0
89.06028	9.6
91.05486	4.7
93.07050	22.6
95.04985	4.4
95.08618	37.7
97.02891	2.7
97.10184	6.0
102.09193	5.5
105.07062	6.1
107.04958	4.3
107.08598	17.7
109.10167	9.9
109.73797	2.0
117.07054	5.3
119.08600	6.7
121.06521	4.3
121.10162	9.2
128.34294	2.2
132.10211	7.0
133.08621	5.7
135.11691	28.8
145.10110	17.8
146.11789	7.0
163.11206	38.6
177.11197	2.2
179.70663	2.3
181.12296	6.8
212.23859	2.4
227.12794	48.7
228.13266	3.7
228.23141	2.7
251.10628	2.1
256.26410	11.3
257.24997	2.2
283.15414	42.5
283.26324	54.6
283.29211	3.8
300.29031	32.9
311.29642	7.2
313.27383	64.4
314.27631	3.0
521.38422	47.8
522.38678	4.4
538.52332	3.2
556.53033	100.0
557.53149	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	557.069
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70023	4.3
69.65910	16.1
69.66315	8.2
79.05476	6.6
83.46522	4.9
90.47895	4.3
97.02905	5.6
157.05014	7.2
272.80884	4.3
347.00790	6.5
347.08228	5.1
359.00888	9.9
376.01358	6.0
377.01730	100.0
395.02820	36.3
419.02905	5.6
557.06665	46.9
557.30426	9.9
575.07208	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	557.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19736	0.5
67.05552	0.6
69.03429	2.2
69.16741	3.3
79.05491	0.6
83.01128	0.6
83.61080	0.5
84.08138	0.9
85.02850	0.6
93.07016	0.7
97.02892	4.5
104.61348	0.6
108.29934	0.5
114.69166	0.5
118.37811	0.5
119.01077	3.7
121.06530	1.2
123.04427	3.4
139.03935	1.2
150.09160	1.9
151.03918	0.5
153.01859	1.2
163.03920	1.4
175.07526	0.6
177.09171	0.9
179.03168	6.2
181.04755	1.6
204.10252	0.8
222.11240	1.9
239.05252	5.6
340.01981	5.2
341.02670	9.1
342.03137	0.7
356.15228	0.7
479.05826	1.4
556.26056	0.9
556.84393	1.4
557.09027	100.0
558.09357	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	557.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.42370	0.3
58.57011	0.3
63.02360	1.0
64.59034	0.4
67.01867	0.6
78.04695	0.6
79.05507	0.8
79.93935	0.5
81.03419	4.4
81.07039	0.6
89.03921	9.1
91.05473	1.2
93.07045	0.7
95.04932	0.6
99.04444	2.4
103.05458	0.5
106.04174	0.5
107.04955	0.5
109.02871	4.9
117.03381	22.2
118.03690	0.5
119.04971	0.5
127.03912	3.8
134.03615	1.5
135.04463	2.0
137.06046	0.4
145.02847	52.9
146.03220	1.6
149.05978	7.7
163.03912	0.6
169.04973	13.2
177.05472	100.0
178.05833	2.6
186.05531	1.1
218.53642	0.3
285.07632	2.2
303.08575	3.1
316.06039	0.8
317.57352	0.5
331.08224	1.0
331.11932	0.6
345.09729	1.4
557.13177	0.8
557.21912	1.2
557.34326	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	557.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
63.02361	0.5
67.01849	0.6
68.00305	0.2
68.99805	0.5
69.01520	1.9
71.40513	0.2
75.02364	0.3
78.04704	0.4
79.05511	0.2
81.03419	4.3
89.03918	8.5
91.05491	1.0
95.08640	0.2
99.04456	2.7
103.05457	0.3
106.04170	0.4
109.02879	5.0
117.03380	22.2
118.03702	0.9
119.04984	0.3
121.06508	0.3
127.03902	2.5
134.03641	1.3
135.04457	1.5
145.02846	51.0
146.03143	1.3
147.04361	0.3
149.05983	7.6
163.03867	0.5
169.04970	13.5
170.05441	0.3
175.03941	0.3
176.04626	0.3
177.05469	100.0
177.72070	0.2
178.05812	2.8
179.03433	0.3
180.13710	0.2
186.05521	1.4
187.07617	0.3
215.07100	0.3
217.08531	0.3
243.06393	0.4
259.09644	0.4
270.05313	0.2
278.42163	0.3
282.10306	0.3
285.07538	2.7
295.61688	0.2
297.12231	0.2
303.08609	3.6
345.09741	1.8
379.76859	0.3
557.23218	0.4
557.34137	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	557.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89633	3.8
53.03954	6.2
53.26463	3.5
53.46111	3.7
67.05494	9.2
69.03448	6.3
70.06578	18.9
79.05502	13.1
81.03410	9.4
81.07072	7.9
83.04984	9.2
86.09709	14.7
91.05481	11.0
93.07073	4.7
95.04971	7.3
95.08625	4.6
97.02884	4.3
99.04445	7.3
105.07046	16.0
107.04985	15.9
107.08635	4.1
109.02873	7.3
109.06530	8.1
109.10152	40.8
111.04443	3.9
117.07030	9.7
119.08594	18.3
120.08150	4.1
121.06469	4.4
127.03963	5.0
128.06273	6.6
129.07016	5.2
131.08669	3.4
133.10143	12.1
137.05957	6.1
137.09636	54.2
139.03932	4.9
143.08592	15.1
146.06036	18.6
146.07086	3.5
147.08070	13.0
153.01843	21.5
161.09628	100.0
163.03867	24.3
163.11235	4.4
165.09119	97.2
167.03413	6.8
171.08018	4.1
179.10732	12.1
189.09119	26.9
207.10178	65.7
208.10580	4.4
225.11214	12.0
233.11563	5.7
299.04974	3.7
340.53400	4.1
349.70236	4.3
369.15445	4.4
431.07870	4.5
484.52405	4.3
557.28839	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	557.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47367	1.6
53.03923	2.9
55.01874	3.5
55.05515	13.0
67.05508	15.6
68.33398	1.6
69.03440	3.6
69.07065	2.9
69.11337	9.0
69.11734	4.6
71.04995	2.3
73.60604	1.7
79.05505	19.6
81.03419	14.5
81.07067	15.3
81.58379	1.6
83.04978	3.4
83.08628	7.4
85.43740	1.9
88.22623	1.6
91.05479	12.1
93.07059	8.8
95.04967	6.6
95.08600	7.7
97.06519	3.3
97.10176	11.7
98.98506	1.9
105.07065	10.4
105.13926	1.5
107.04942	14.7
107.08584	9.7
109.06509	3.5
109.10156	6.0
112.99747	1.6
117.07015	4.2
119.08589	6.9
121.06521	11.5
123.08090	4.9
125.09629	12.2
129.06956	4.5
131.08571	6.7
133.06514	6.5
133.10127	4.7
135.08054	4.6
136.15193	1.6
139.03812	1.6
143.08537	3.4
145.06483	6.0
145.10201	3.7
147.04436	2.0
147.08047	4.8
147.11696	2.3
149.09657	2.9
153.09113	6.9
153.12666	2.8
157.06404	1.9
157.10159	4.6
159.08063	2.1
163.11176	2.0
169.10028	2.1
171.08089	2.3
173.09610	2.7
175.11157	2.0
185.09578	2.5
187.11211	2.1
189.09358	1.9
189.11249	5.1
189.12790	3.2
193.12251	12.1
215.14178	1.9
233.15392	6.8
241.14406	2.8
249.12250	1.7
255.13857	1.7
273.14813	4.6
298.22858	1.6
349.21640	3.2
367.22653	13.7
383.71094	1.9
385.23706	19.2
403.24634	4.5
441.26221	6.9
459.27399	100.0
460.27618	8.7
557.19629	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	557.3088
Annotation	Dronedarone
Peak:m/z	Relative Intensity
55.01867	0.8
55.05518	2.3
57.03423	0.5
67.05505	3.1
69.07065	1.2
70.29303	0.9
70.29675	1.3
74.49429	0.4
78.15318	0.4
78.22403	0.4
79.05501	4.0
81.03428	2.7
81.07066	4.4
81.60530	0.4
83.04977	0.7
83.08611	1.2
88.07626	0.4
91.05486	2.6
93.07053	2.6
95.04974	2.2
95.08613	1.9
97.06534	1.0
97.10166	1.9
103.05493	0.5
105.06994	2.6
107.04967	1.3
107.08585	1.4
109.06519	1.8
109.10155	0.7
111.08122	0.4
117.07024	0.6
119.08605	1.8
121.06493	1.4
121.10139	1.2
123.08066	0.7
125.09623	1.5
129.07008	1.2
131.08571	1.7
133.10138	0.9
135.08083	1.0
137.09549	0.5
143.08615	0.8
145.06509	0.7
145.10123	1.6
147.08008	0.9
149.02351	0.8
149.09669	0.6
149.71222	0.4
155.08588	0.5
157.10127	0.9
159.08038	0.6
159.11676	0.8
161.09610	0.6
163.06236	0.4
163.11270	0.6
183.11685	0.6
187.11133	0.4
189.11224	0.6
189.12718	0.5
193.04996	1.4
193.12175	0.8
197.13503	0.5
209.13362	0.5
219.13715	1.1
227.12766	0.9
245.15207	0.5
249.96655	0.4
267.15811	1.1
273.18491	1.3
291.19604	1.1
313.21649	1.6
341.21078	0.6
385.09225	1.1
447.28568	0.6
455.27441	0.7
459.27325	1.1
465.29965	1.0
471.30679	1.7
473.28818	5.3
483.31143	1.1
513.32098	1.1
539.28955	0.8
539.34320	0.6
557.30731	100.0
558.31696	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	557.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.6
53.03954	5.2
55.01875	20.3
55.05512	36.5
57.03436	9.2
57.07077	2.1
59.05017	1.6
61.38203	1.0
65.03940	3.8
66.57610	0.9
67.05509	47.1
69.03433	6.4
69.07072	18.1
70.06633	1.1
71.04999	4.1
76.37656	1.0
79.05495	58.1
80.05819	1.5
81.03421	37.7
81.07060	67.1
83.04984	14.2
83.08620	20.4
85.02911	2.4
85.06567	1.8
91.05483	40.3
93.07049	31.2
95.04973	27.4
95.05546	1.3
95.08615	17.7
97.06540	11.6
97.10174	21.2
99.08089	1.8
103.05502	2.3
105.04544	1.9
105.07032	30.9
107.04955	26.4
107.08604	21.6
109.02901	1.2
109.06521	26.9
109.10158	16.4
111.04447	5.2
111.08110	4.6
113.06019	1.3
115.05494	4.7
117.07018	16.7
119.04960	2.8
119.08584	24.0
120.08913	1.8
121.06518	17.4
121.10158	13.6
123.04471	1.9
123.08068	7.4
123.11719	2.5
125.09627	17.2
125.10404	1.5
128.06238	3.0
129.07005	14.1
130.07829	1.9
131.04955	3.4
131.08568	19.7
133.06491	10.7
133.10139	10.4
135.04503	1.2
135.08073	18.1
135.11702	5.5
137.09628	7.0
141.07005	5.6
142.07782	3.5
143.08568	13.3
145.06516	10.9
145.10120	17.8
147.08063	12.3
147.11731	4.3
149.06050	1.1
149.09625	9.1
149.13203	1.3
151.11247	1.4
153.09142	1.8
153.12769	2.1
154.07803	1.8
155.08575	8.7
156.09279	1.1
157.06532	2.9
157.10146	11.0
158.07214	1.3
159.08084	9.3
159.11699	6.9
160.05246	1.2
161.06026	1.6
161.09642	8.5
161.13258	2.4
163.07440	1.1
163.11168	9.7
165.09154	3.3
165.12677	1.3
167.08617	3.3
168.09375	1.5
169.10133	7.2
171.08098	3.6
171.10303	1.9
171.11621	6.1
173.05946	1.4
173.09593	6.3
173.11893	1.4
173.13287	2.4
174.68657	1.1
175.07610	1.2
175.11238	4.9
177.12825	2.7
179.08543	1.7
181.10172	4.2
181.12192	2.2
183.08087	2.1
183.11682	5.6
185.09618	6.9
185.13329	4.8
187.11250	6.7
187.28365	1.1
189.09399	1.6
189.11252	8.8
189.12860	3.0
191.08578	1.0
191.10715	3.8
191.14363	1.4
193.04962	1.8
193.10442	1.9
193.12312	9.6
195.08023	1.3
195.11772	3.4
197.09648	3.3
197.13307	2.8
199.11259	4.4
199.14905	1.9
201.12730	6.6
201.16223	1.3
203.10739	1.2
203.14403	2.1
205.12160	1.5
207.11739	1.5
209.09671	1.5
209.13365	3.1
211.11237	4.1
211.14923	2.0
213.12784	2.8
215.14438	1.2
217.12337	3.1
217.15907	1.7
219.11803	1.8
219.13773	14.1
221.13400	1.8
221.15393	2.2
223.11282	2.2
223.13220	1.5
225.12711	2.6
227.12659	10.3
227.18037	1.4
233.15498	1.4
239.10652	1.5
243.13960	2.0
245.15445	3.6
245.19078	2.1
247.16983	6.8
249.14867	1.6
255.13921	1.4
255.17534	3.3
257.19046	1.5
259.16962	1.2
267.15787	6.2
271.17148	1.1
273.15445	1.2
273.18472	24.1
275.20175	4.1
285.18707	1.7
285.22012	1.8
289.14590	1.4
291.19565	17.9
293.17609	2.6
297.18658	3.3
299.16647	1.2
299.20090	1.5
311.16489	1.9
311.20032	3.0
313.21603	19.1
314.21970	1.7
315.19623	4.6
319.19373	1.4
321.20639	2.2
323.20163	1.6
329.21210	4.0
331.22693	1.5
335.20074	1.6
337.21616	1.4
339.19589	1.7
341.21130	4.7
347.22183	7.6
353.21036	2.0
357.24316	1.2
367.22867	2.9
369.24399	2.0
371.22391	1.4
385.09839	1.4
387.25681	1.1
415.24969	2.8
429.27759	3.1
433.25650	6.7
433.30878	1.0
437.30267	2.2
443.27722	1.2
447.28839	9.0
465.29999	20.9
466.30301	2.1
483.31097	12.1
484.31784	2.4
487.27319	1.7
501.32220	3.9
514.87079	1.3
521.33002	2.4
539.33765	23.1
540.33789	3.6
557.34772	100.0
558.27386	1.8
558.35095	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	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
53.86754	1.2
55.01875	14.2
55.05243	1.9
55.05511	36.6
57.03440	12.4
57.07089	2.1
59.04998	2.0
65.03944	4.9
67.05506	52.5
69.03414	7.7
69.07065	14.6
70.19968	1.5
70.20276	2.1
71.05004	5.0
71.89977	1.1
71.90488	1.0
72.26025	1.4
75.87196	1.1
79.05494	68.0
80.05843	1.5
81.02924	2.2
81.03419	66.6
81.07057	100.0
82.07358	1.7
83.04978	19.1
83.08620	20.1
84.53417	1.1
85.02890	6.4
85.06553	3.9
91.05480	53.2
93.07049	35.8
95.04964	32.2
95.08604	17.6
97.02884	3.3
97.06538	5.0
97.10168	15.5
99.04440	2.1
99.08109	1.7
103.05504	2.8
105.04506	1.6
105.07030	34.5
107.04958	25.1
107.08601	19.7
108.08995	1.0
109.06519	61.3
109.10152	11.3
110.06866	1.6
111.04445	11.2
111.05104	1.3
111.08067	6.6
115.05462	4.6
116.06276	1.2
117.07024	20.4
119.04965	3.3
119.08583	33.0
119.66890	1.1
121.06504	16.3
121.10139	17.7
123.08082	8.8
123.11719	2.9
125.09634	16.6
128.06245	4.1
129.05536	1.2
129.07013	18.8
130.07814	1.3
131.08572	21.2
133.06494	8.4
133.10139	11.4
135.08055	18.6
135.11679	6.1
137.09615	10.0
141.07013	2.6
141.60193	1.3
142.07809	4.6
143.08565	12.1
145.06499	7.3
145.10127	19.4
147.08038	16.8
147.11705	9.1
149.09612	10.6
151.07515	1.8
151.11250	1.2
153.09134	3.1
153.12787	2.9
155.08572	5.5
156.09422	1.5
157.06519	3.3
157.10126	13.1
159.08043	8.5
159.11674	6.8
161.09631	11.9
163.11180	10.0
165.07057	1.6
165.09140	8.0
167.08592	2.9
169.10153	4.8
171.08034	2.3
171.10350	1.6
171.11617	5.6
173.09570	5.5
173.11926	1.4
173.13332	3.5
175.11188	8.4
177.12791	2.4
181.10165	2.6
181.12279	4.6
183.11728	3.9
185.09628	4.4
185.13292	4.3
187.09717	1.4
187.11273	5.3
189.09404	2.3
189.11250	11.1
189.12753	1.7
191.10718	4.1
191.14305	2.4
193.12250	14.1
195.11743	1.4
197.09666	1.3
197.13354	1.4
199.11218	4.4
201.12801	5.4
203.14388	2.1
205.12413	1.5
213.12863	2.0
215.14403	1.2
217.12338	1.4
217.15990	1.3
219.13876	4.1
221.15280	2.5
223.13383	4.0
225.12703	2.5
227.12706	12.0
227.17953	2.0
231.13878	2.2
237.16577	1.6
245.15402	4.2
245.19019	3.3
247.17067	6.1
249.14961	4.3
255.17575	4.8
267.15854	14.6
268.57825	1.1
273.18488	41.2
274.18933	2.2
275.20102	5.6
277.03705	1.1
291.19550	65.4
292.19968	2.7
293.17538	4.0
297.18649	3.8
305.18854	1.2
311.16608	1.3
311.20038	2.0
313.21646	22.3
314.22025	1.9
315.19598	3.1
319.19128	1.6
321.20581	3.5
329.21060	2.8
341.21130	2.6
347.22128	9.2
353.21036	2.9
369.24414	1.7
419.29654	2.0
429.28076	1.4
433.25900	4.8
447.29129	6.8
457.65240	1.1
464.30396	1.3
465.29880	17.3
466.30170	1.7
483.30743	5.7
539.33679	14.7
540.34058	2.7
557.34735	67.7
558.35254	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.7
55.05515	26.5
57.03426	7.0
59.89332	3.7
65.03941	5.5
67.05508	57.7
69.07079	23.4
70.96707	8.8
79.05488	49.3
81.07050	52.8
83.08624	15.0
91.04965	6.3
91.05486	55.8
93.07043	43.6
95.04953	8.1
95.08611	40.2
96.15578	4.1
97.06554	7.9
97.10144	4.0
105.07031	39.4
107.04949	7.3
107.08601	21.9
109.06465	6.4
109.10164	14.1
112.83598	4.6
117.07040	17.0
119.08596	33.7
121.06504	5.5
121.10139	14.6
123.08025	5.0
125.09602	5.3
128.06223	6.9
129.06996	16.7
131.08609	34.4
133.10123	22.5
135.11693	5.7
141.07011	7.4
143.08604	27.2
145.10152	32.4
147.11722	22.0
149.09596	7.0
155.08571	19.0
157.10138	22.1
159.11673	17.2
161.13281	16.0
163.11209	4.9
166.38448	4.5
167.08582	9.0
169.10165	28.7
171.11679	22.3
173.13293	14.8
175.11214	4.2
177.12737	4.9
181.10182	7.4
183.11688	23.5
185.13242	18.6
185.62756	4.2
187.11145	4.7
187.14806	8.5
189.12764	5.5
193.10025	4.9
195.11720	12.9
197.13257	21.0
199.14868	9.8
209.13300	12.7
211.14824	6.3
212.83165	3.9
213.16412	14.8
223.14880	7.6
237.16362	7.0
241.19612	8.8
247.16977	7.3
252.92288	5.0
257.19131	6.6
259.20602	12.6
279.15997	5.0
281.17743	7.7
305.92545	5.1
320.98956	4.7
333.24161	4.7
369.22867	4.5
429.31738	7.7
437.34326	15.3
447.32645	32.8
465.33636	29.2
483.34662	18.6
521.35944	9.7
529.38818	9.0
539.29785	7.2
539.37372	100.0
540.37421	14.3
557.38342	49.1
558.38593	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.8
55.01872	17.6
55.05513	47.9
57.03435	8.8
57.07071	2.9
58.50727	1.6
65.03942	5.0
67.05508	78.8
68.05840	3.3
69.03442	2.6
69.07071	30.9
69.55098	5.5
71.04984	7.3
77.03958	1.6
77.55917	1.7
79.05495	75.6
80.05830	3.8
81.03426	9.2
81.07059	100.0
82.07386	2.0
83.04998	11.5
83.08619	21.5
85.06549	5.7
91.05486	81.0
92.05805	3.3
93.07049	70.9
94.07368	2.4
95.01344	1.7
95.04980	19.5
95.08611	61.0
97.02948	1.9
97.06532	18.2
97.10166	13.4
99.04481	1.6
103.05500	4.0
105.04534	4.2
105.07033	64.1
106.07411	2.9
107.04972	18.3
107.08595	40.0
109.06522	21.5
109.10159	17.3
111.04414	2.6
111.08059	8.4
115.05453	5.2
117.07018	27.6
119.08580	51.3
120.08958	1.7
121.06513	9.8
121.10139	21.9
123.04455	2.2
123.08089	7.1
123.11687	4.5
125.09654	14.8
128.06258	6.4
129.07011	24.6
130.07823	4.2
131.04918	2.6
131.07590	2.5
131.08571	40.9
131.09497	2.8
133.06519	4.7
133.10135	32.3
135.08060	7.4
135.11705	23.8
137.09619	3.7
141.06989	8.9
142.07785	6.9
143.08572	30.8
144.08965	2.0
145.06505	6.1
145.10115	43.8
147.08060	8.6
147.11674	24.3
149.09645	10.5
149.13290	5.1
151.11206	3.2
153.06967	2.1
153.09085	2.5
154.07808	2.0
155.08577	22.5
156.09320	2.8
157.06493	2.3
157.10144	23.0
159.08076	4.3
159.11696	21.9
161.09671	5.9
161.13306	10.7
163.11183	21.1
163.14925	2.3
165.07016	2.9
165.09091	2.0
165.12796	1.8
166.07837	1.9
167.08601	7.7
168.09430	1.7
169.10152	24.3
171.08139	4.2
171.11687	23.2
173.09581	3.7
173.13261	11.4
175.11203	3.9
175.14853	6.4
177.12764	4.2
179.08624	3.7
179.14357	5.2
180.09308	3.4
181.10121	13.3
181.12262	5.2
182.10854	2.5
183.11705	19.9
185.09738	3.2
185.13272	12.7
187.11205	5.2
187.14868	7.3
189.11246	3.9
189.12700	4.0
191.10747	2.7
193.10170	3.5
193.12282	2.1
195.11697	13.4
196.12442	2.3
197.13268	13.2
199.14882	9.0
201.12592	2.4
201.16354	2.1
205.15860	4.3
207.11813	4.0
207.13754	3.7
209.13193	8.7
211.14893	6.8
213.16370	11.5
215.14354	2.1
221.13214	3.4
223.14894	4.9
225.16415	3.5
227.12732	19.1
233.13258	2.9
233.15477	2.5
235.14832	3.1
237.16402	3.4
239.17947	2.4
241.19556	6.0
247.16927	3.5
247.20778	2.0
255.15999	2.6
257.19064	5.4
259.20599	12.0
271.17130	2.2
273.18613	3.4
275.20084	28.2
276.20486	3.1
279.15872	5.1
281.17593	6.2
285.22281	2.6
287.20111	2.6
289.17899	1.9
291.19647	2.2
293.21515	2.3
297.18616	2.5
297.21964	2.1
299.20093	2.5
303.19989	1.8
310.71844	1.9
311.19897	2.2
313.21530	6.2
313.24872	1.8
315.19586	8.2
318.92255	1.8
323.23795	5.4
333.24167	5.1
337.21475	1.8
339.23322	4.8
341.24731	2.3
357.24142	4.6
375.25470	3.8
419.33044	2.3
429.31665	3.2
431.27426	1.8
437.34531	8.5
447.32755	23.8
465.34256	23.6
466.34198	4.0
483.29510	2.6
483.34683	12.7
484.34958	2.7
501.35828	2.3
521.36646	8.0
529.38757	5.0
539.37500	76.0
540.38226	9.8
557.36798	43.3
558.36536	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	558.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
57.53853	0.4
67.05507	0.6
69.03440	3.3
70.53357	0.8
70.53690	0.5
71.04993	0.8
72.56799	0.4
79.01849	2.3
79.05518	0.8
79.99078	0.4
81.03429	6.0
85.02911	3.7
85.06547	3.6
86.09721	0.5
93.07030	0.5
97.02917	4.1
99.04468	0.8
102.83187	0.4
105.07031	0.8
107.01292	1.2
107.08622	0.6
109.02893	4.2
125.02364	2.7
127.03916	7.3
131.08577	2.9
138.26103	0.5
143.03404	4.3
145.04973	1.0
145.10129	1.2
149.09627	2.1
151.48141	0.4
153.01834	100.0
153.02792	4.1
154.02171	2.8
163.11221	1.1
167.10699	1.3
171.02892	12.8
191.10675	2.8
209.11754	4.2
211.49921	0.4
227.12785	9.2
261.79190	0.5
279.05029	1.0
297.06049	5.2
315.07095	18.9
316.07394	1.0
326.24216	0.4
524.38422	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	558.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.05509	5.7
57.03430	2.1
67.05511	3.7
69.03444	11.5
70.34290	4.9
70.34628	2.3
71.04997	7.8
79.05496	16.6
79.28240	1.8
81.03419	20.6
81.07069	5.8
83.04980	3.7
85.02910	6.2
91.05492	9.5
93.07061	34.4
95.04948	3.9
95.08609	2.9
97.02911	12.8
97.06551	3.3
99.04454	15.8
103.05460	3.0
105.06487	1.3
105.07033	63.3
107.08596	79.7
109.02898	12.4
109.06560	2.5
110.83439	2.2
111.04442	3.3
111.08096	3.5
117.07034	6.3
119.08584	22.9
121.06512	24.0
121.10145	27.7
123.08069	2.3
127.03931	12.3
130.07784	3.3
131.08575	6.3
133.10132	2.7
135.08073	9.4
135.11687	19.7
139.03937	2.5
145.10123	54.0
147.11702	3.2
149.06035	2.3
149.09644	14.7
151.83742	2.1
153.01836	7.9
161.09615	4.9
163.11182	100.0
164.11523	2.4
173.09659	6.6
181.12222	20.0
191.10675	80.0
209.11736	40.2
209.13490	1.6
210.12039	2.0
215.10846	2.6
227.12767	37.1
253.12340	3.8
271.13257	6.1
287.13132	3.9
289.14316	2.9
299.12802	7.0
317.13864	20.3
335.14883	41.7
353.15881	27.8
371.16992	3.0
371.81992	2.0
503.46841	2.5
558.08832	2.5
558.30707	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	558.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.05511	9.7
59.36683	2.8
63.52556	2.4
67.05502	9.4
69.03431	14.5
70.06601	6.0
71.04990	7.6
71.29276	5.0
79.05495	18.8
81.03419	42.2
81.07071	6.7
83.04991	4.8
84.04467	3.7
85.02893	8.8
85.06570	3.4
86.09719	3.9
91.05494	16.7
93.07045	52.5
95.04970	6.7
96.31068	2.8
97.02914	8.2
97.06526	3.6
99.04465	17.7
105.07031	66.8
106.07332	3.4
107.08598	83.6
108.04495	9.6
109.02881	17.8
109.06538	3.9
111.04474	8.5
111.08075	4.2
117.06999	7.5
119.08595	24.3
121.06545	25.4
121.10146	32.3
123.04393	4.1
127.03916	22.7
127.43044	3.0
130.07806	3.4
131.08618	7.5
133.10167	5.8
135.08089	11.3
135.11691	22.6
139.03917	4.7
143.08607	4.3
145.10130	44.9
147.11632	3.9
149.05989	4.4
149.09616	13.6
153.01840	24.7
161.09677	5.5
163.11188	100.0
164.11496	3.8
170.63780	2.5
173.09624	7.4
177.09238	3.0
181.12251	17.1
189.09094	5.5
191.10663	77.1
197.09712	2.8
207.10066	3.4
209.11702	35.3
227.12782	27.0
253.12292	3.6
271.13385	4.1
289.14270	3.2
294.89606	3.2
299.12671	6.7
315.07086	3.7
317.13864	12.2
335.14767	14.2
353.15942	43.4
354.15976	4.3
559.30865	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	558.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.05518	6.4
65.03944	2.2
66.39883	1.9
67.05519	4.1
69.03433	14.8
69.07045	1.9
70.42881	5.5
71.05006	7.7
75.10772	2.0
79.05486	20.0
81.03424	35.7
81.07066	9.0
83.04979	4.9
85.02924	7.0
91.05485	14.7
93.07046	45.5
93.69332	2.3
95.04990	5.6
95.08605	3.7
97.02901	8.9
97.06552	4.3
97.79028	1.9
99.04474	18.1
105.07037	64.6
106.07391	2.4
107.07867	5.0
107.08602	100.0
108.08990	2.2
109.02894	18.6
109.06573	3.4
111.04464	8.1
111.08077	3.8
117.07044	7.2
119.05033	2.2
119.08589	22.2
121.06518	23.7
121.10151	31.6
125.02342	2.9
127.03924	21.1
129.06987	3.5
130.07852	4.2
131.08620	7.8
133.10144	6.9
135.08099	13.0
135.11719	21.3
139.03911	22.0
143.08638	3.7
145.10124	46.7
147.08009	3.2
147.11754	5.8
149.05966	3.4
149.09628	14.1
151.03914	2.0
153.01790	10.9
155.08612	3.2
156.12796	2.0
161.09616	4.2
163.03944	3.3
163.11197	98.5
164.11539	4.5
173.09703	9.7
181.12300	20.5
189.09175	7.2
191.10681	88.2
192.10947	4.6
209.11737	36.1
210.12122	2.7
227.12769	39.6
244.81377	2.4
253.12108	4.4
271.13354	5.3
289.07047	5.1
289.14386	4.5
299.12857	8.4
317.13916	16.4
318.14063	2.1
335.14890	19.5
343.01309	3.7
353.15952	56.3
354.16336	2.7
361.02347	29.2
371.16928	7.1
379.03397	8.8
450.83850	2.3
460.27573	3.3
517.06183	2.5
558.30951	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	558.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38417	1.7
53.03952	7.2
55.01873	2.7
55.05510	5.8
59.26943	1.9
61.02296	1.9
67.05506	8.5
69.03432	15.3
69.07043	2.7
69.72097	8.8
71.04993	7.5
79.05493	22.6
81.03420	39.3
81.07071	7.5
83.05002	2.9
85.02922	6.6
86.09724	3.1
91.05455	11.0
93.07048	50.8
95.04985	6.6
95.08617	2.5
97.02903	7.7
97.06535	6.8
98.23239	3.4
99.04463	22.8
105.07032	64.5
107.04959	3.1
107.08596	90.8
109.02885	18.0
109.06512	4.4
111.04442	6.8
111.08108	4.7
117.07014	4.0
119.08585	21.5
121.06525	25.5
121.10147	38.7
123.04446	2.5
123.78405	1.7
127.03912	20.1
129.07068	2.3
130.07832	3.2
131.08560	5.4
133.06538	2.5
133.10141	4.7
134.07214	2.3
135.04500	2.5
135.08025	13.1
135.11673	17.5
139.03905	24.7
139.04878	2.5
143.08611	2.8
145.04984	2.2
145.10124	43.6
147.07993	2.1
147.11710	7.1
149.05977	4.0
149.09579	12.7
153.01862	12.2
161.09625	4.8
163.11183	100.0
164.11490	4.3
169.10266	2.1
173.09674	8.6
175.11165	2.3
181.12257	16.6
183.11636	2.1
187.11070	2.7
189.09111	4.1
191.10678	83.4
192.10997	3.0
207.10072	2.2
209.11736	33.0
227.12743	34.7
227.14778	2.7
253.12212	2.2
257.11682	2.0
271.13235	3.7
289.07065	3.8
289.14316	4.4
299.12820	6.3
317.13821	13.9
335.14966	19.4
343.01288	5.1
353.15939	54.4
354.16431	3.2
361.02283	33.7
371.17093	7.7
379.03244	7.5
397.25504	2.1
460.27881	3.2
460.87811	2.4
517.06500	4.6
558.30353	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	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
62.68572	3.1
63.09706	3.4
65.85736	2.8
70.06596	3.6
71.30616	4.3
79.05502	4.5
85.02920	3.9
88.92107	3.0
91.05491	26.4
103.05482	15.0
105.07030	8.5
107.04940	26.5
107.08495	3.3
115.05453	7.3
119.04944	21.3
119.17992	3.1
121.06466	6.2
122.03652	6.0
123.04423	9.3
128.06215	4.3
129.07007	8.9
131.04890	18.9
131.08589	5.2
133.02914	4.0
133.06485	11.7
134.50043	3.4
135.08034	10.3
137.05980	85.0
147.04427	12.5
149.05978	12.0
151.07541	46.6
153.01851	17.0
161.05981	100.0
161.09570	19.0
162.06723	6.4
163.07533	47.0
167.07050	6.0
167.08636	6.4
175.07594	10.4
177.05550	3.5
177.09113	5.4
179.07063	5.3
179.08495	3.5
181.04961	4.8
181.08615	12.5
189.09099	52.3
191.07019	3.4
193.08501	4.4
194.05533	3.1
194.94447	3.5
195.08043	6.2
207.10187	90.3
219.10175	9.5
221.09610	5.7
223.07413	3.8
227.10689	11.5
234.10487	3.8
253.08636	5.7
253.12283	7.1
255.10217	12.6
267.09970	6.2
271.06131	4.3
285.11237	11.8
287.12772	28.6
297.11288	4.2
299.12744	6.4
311.12784	13.3
313.14258	30.7
331.15405	59.3
343.15424	8.3
532.22198	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	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.2
69.03417	7.4
79.05482	5.1
85.02914	9.6
91.05489	11.6
95.02150	2.2
97.02903	3.5
98.72095	2.7
103.05467	24.9
105.07049	4.0
107.04960	17.0
115.05431	3.8
117.06976	3.1
119.04942	8.4
121.06527	4.3
122.03626	5.1
123.04422	4.3
127.03928	4.7
129.07024	3.5
131.04951	35.7
133.06488	5.5
135.08058	5.7
137.05986	68.3
143.03430	4.1
147.04431	9.4
149.06009	9.1
151.07565	23.0
153.01837	100.0
161.06023	31.8
161.09637	4.4
162.06702	6.0
163.07561	71.9
163.58827	2.5
175.07542	11.2
177.05450	3.4
177.09094	21.0
179.07054	7.8
179.10820	2.4
181.08621	4.3
189.09097	20.5
191.07225	3.4
207.10170	33.9
215.50421	2.2
219.10228	4.7
221.11758	6.5
227.10707	5.4
253.12292	3.2
255.10123	5.3
271.05884	4.1
281.11911	2.9
287.09799	2.7
287.12805	10.4
299.12756	3.7
311.12808	15.8
313.14365	12.7
331.15430	25.2
343.15411	5.3
559.18182	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	558.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.0
55.05515	19.5
57.03432	15.8
57.07079	52.1
58.06576	6.8
61.03366	5.7
67.05508	30.5
69.07063	22.7
69.91978	6.4
70.06600	12.5
71.08639	39.1
79.05493	31.3
81.03432	45.8
81.07055	36.8
83.04980	9.8
83.08640	32.5
85.02905	20.9
85.10178	17.1
89.06010	9.3
91.05501	30.4
93.07052	15.7
95.04989	18.1
95.08611	26.6
98.23385	23.7
105.07050	24.0
107.08597	9.0
109.10165	19.0
111.08086	10.9
117.08807	6.5
119.08598	22.1
121.10132	7.3
129.06963	6.9
131.08597	14.7
133.10130	8.2
147.11705	14.9
157.10187	7.7
175.11165	16.5
193.12270	49.7
210.52002	6.4
211.13290	64.8
229.32709	7.1
257.26736	9.4
267.15979	19.1
283.26266	13.1
284.26605	17.6
285.16971	64.9
285.26965	11.4
300.28940	8.7
301.29364	15.5
313.27301	80.4
327.96793	6.0
503.46616	6.2
505.38699	9.4
523.39984	55.8
524.39911	6.8
557.53461	24.8
558.45142	8.9
558.53674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10713	2.7
53.03934	3.8
55.05510	19.9
57.03442	18.8
57.07072	46.4
63.00044	3.3
67.05501	29.2
69.03432	3.8
69.05549	20.8
69.07072	11.4
70.06595	7.5
71.04990	3.5
71.08642	25.2
79.05485	25.2
81.02961	2.3
81.03415	58.4
81.07050	31.3
83.04989	13.9
83.08617	25.4
83.39538	3.0
85.02915	17.1
85.10183	18.5
89.06040	3.5
91.05474	26.2
93.07071	15.2
95.04972	19.2
95.08602	25.5
97.10180	6.6
98.22588	6.4
102.09229	3.5
105.07041	13.2
107.04954	5.5
107.08614	9.1
109.06521	4.4
109.10152	8.7
111.08088	8.8
118.12746	2.8
119.05064	3.7
119.08588	13.1
121.10181	4.4
123.11739	3.7
129.07027	9.5
131.08578	10.4
133.10173	5.7
134.66362	2.9
147.08054	4.9
147.11679	8.4
157.10150	6.7
157.11444	2.9
160.20166	2.8
165.12743	2.9
166.15758	3.2
175.11150	14.7
189.62299	3.0
193.12230	39.7
211.13304	67.7
213.90210	2.9
213.94566	3.8
267.15955	13.1
283.26169	3.6
284.26694	4.9
285.16940	42.9
313.27347	78.7
314.27625	4.1
505.38397	7.7
523.39960	100.0
524.40271	7.1
558.45306	4.3
558.53381	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	559.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.96566	2.2
62.63292	0.2
67.05519	0.3
69.03429	1.2
69.07062	0.3
69.70708	0.6
69.71095	0.4
79.05499	0.3
79.78284	0.3
85.02925	0.4
86.09698	0.4
91.05482	0.6
95.04855	0.2
95.08560	0.3
96.74509	0.2
97.02880	0.5
98.23273	0.5
105.07047	0.3
109.06458	0.2
109.10123	0.3
112.08793	0.2
119.04975	0.6
121.06493	0.8
121.10159	0.3
123.04510	0.5
139.03928	0.5
147.04419	1.2
148.03183	0.3
172.24263	0.2
172.91998	0.2
177.05502	0.7
182.17940	0.2
194.99692	0.5
197.34892	0.3
201.46388	0.2
202.34741	0.3
231.01776	0.3
235.03043	0.3
271.02686	0.4
275.02011	0.3
287.02213	1.1
289.03802	0.4
303.01654	0.9
305.03378	0.7
315.01782	0.4
325.00089	6.6
326.00638	0.3
331.01245	0.8
333.02768	0.7
343.01208	12.3
344.01758	0.7
345.02829	0.4
361.02286	100.0
362.02625	5.6
366.02655	0.8
379.03351	30.5
380.03687	1.6
384.03909	4.1
385.02148	1.5
399.03741	0.3
403.03375	5.5
404.03510	0.3
421.04218	1.1
439.03290	0.9
451.03207	0.8
457.04208	1.2
469.04352	1.0
499.05450	3.2
500.05963	0.5
517.06567	12.7
518.06805	0.9
535.07349	0.9
540.07922	0.9
559.18439	0.3
559.30804	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	559.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
67.05499	0.2
69.03436	1.0
70.06590	0.2
70.27143	0.2
70.42585	0.2
70.42899	0.4
72.08170	0.3
73.02885	0.2
77.03895	0.2
79.05506	0.2
81.03420	2.8
81.07043	0.4
85.02898	0.7
85.06501	0.2
86.09707	0.6
88.76385	0.2
91.05481	0.3
93.07049	0.5
95.08603	0.2
97.02907	1.5
97.06511	0.2
99.04459	0.6
104.04961	0.2
104.95853	0.2
107.08611	0.5
109.02882	6.5
110.07110	0.2
118.06546	0.8
121.10181	0.3
123.04431	0.2
127.03914	2.9
128.04961	3.3
132.04453	3.3
145.04874	0.2
145.10156	0.3
146.06009	100.0
147.06361	2.6
159.09135	0.3
160.03940	1.1
163.11195	0.8
164.03423	1.1
167.10667	0.2
169.08589	0.5
174.05507	20.6
175.05804	0.7
178.04993	9.1
179.05325	0.3
181.12302	0.2
191.10730	0.4
192.06555	13.8
193.06927	0.3
202.05054	0.2
206.04477	1.6
218.08087	0.2
220.06087	0.4
224.03342	0.3
224.05536	3.7
227.12839	0.6
234.07588	0.2
246.07635	1.6
254.08101	1.2
264.08676	0.8
300.08643	1.7
318.09720	2.6
319.10074	0.2
336.10727	0.9
342.03943	0.2
371.17181	0.2
476.48422	0.3
586.37085	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	559.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.1
53.03937	0.4
55.43627	0.1
55.44678	0.1
57.02577	0.1
69.03431	0.9
69.12284	0.3
69.12685	0.7
70.06593	0.5
71.04991	0.3
72.08157	0.3
77.03954	0.3
78.94085	0.2
79.05495	0.2
79.84793	0.2
81.02985	0.2
81.03425	2.4
81.07062	0.3
84.08150	0.2
85.02895	0.7
86.09718	0.9
91.05490	0.5
91.21040	0.1
97.02892	1.4
99.04461	0.5
105.07005	0.2
109.02888	6.6
116.35790	0.2
118.06562	1.1
119.04955	0.2
121.10173	0.2
123.04414	0.2
124.39194	0.2
127.03919	2.8
128.04968	3.9
131.08577	0.2
132.04453	3.2
145.04988	0.3
146.06013	100.0
147.06358	2.8
153.01842	0.3
160.03911	1.1
164.03450	1.1
174.05513	20.1
175.05829	0.4
178.04997	8.3
179.05254	0.2
192.06560	13.9
193.06889	0.5
206.04532	1.5
218.08191	0.4
220.06134	0.4
224.05553	3.9
234.07501	0.2
246.02164	0.2
246.07597	1.3
254.08139	1.3
264.08646	0.9
271.06033	0.2
282.07379	0.2
284.13263	0.3
294.84674	0.2
300.08676	2.3
318.09750	2.9
336.10773	1.0
559.30975	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	559.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33149	0.2
53.03938	0.7
56.40061	0.2
61.36774	0.2
68.70280	0.2
69.03432	0.7
71.04989	0.2
71.29320	0.3
81.03420	2.1
85.02906	0.8
86.09731	0.4
87.77831	0.3
91.05477	0.3
97.02891	1.5
99.04482	0.6
99.84490	0.2
109.02882	6.0
118.06545	0.8
121.10070	0.3
123.04438	0.6
127.03955	2.1
128.04971	2.9
132.04449	3.4
132.33995	0.3
145.04927	0.6
146.06012	100.0
147.06355	2.6
160.03920	0.9
164.03415	0.7
167.56606	0.3
174.05515	20.5
175.05844	0.8
178.05000	8.5
192.06564	14.9
193.07016	0.3
206.04448	1.4
220.06107	0.4
224.05576	3.3
225.05583	0.2
234.07843	0.3
246.07610	1.6
254.08128	0.7
258.06857	0.2
264.08774	0.4
266.06967	0.3
271.05984	0.6
273.00583	0.2
282.07492	0.5
300.08670	2.2
318.09656	3.1
324.12219	0.3
336.10736	0.8
340.30347	0.2
349.50873	0.2
559.21906	1.0
559.31207	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	559.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51661	0.7
123.04509	1.5
128.21751	0.7
151.03870	0.8
153.01932	1.3
159.04311	2.5
182.05016	1.2
185.04286	3.1
215.06792	5.0
225.81003	0.7
271.06107	2.3
307.06592	0.8
353.13727	2.7
400.31113	0.8
515.18884	88.7
516.19257	8.6
559.17822	100.0
560.18268	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	559.2151
Annotation	Physalin U
Peak:m/z	Relative Intensity
55.05509	0.2
59.08704	0.1
67.05502	0.5
72.34274	0.1
77.73177	0.1
79.05489	0.4
81.03413	0.5
81.07060	0.4
83.08562	0.1
89.98611	0.2
91.05488	0.3
91.45221	0.2
93.07024	0.3
95.04978	0.3
95.08601	0.2
105.07043	0.4
107.08607	0.2
109.76115	0.2
119.08574	0.3
120.03680	0.1
121.06515	0.3
131.08586	0.2
133.10234	0.1
141.05257	0.2
147.00626	0.2
153.10938	0.2
162.02890	1.7
162.05574	0.2
169.04745	1.6
275.12570	2.2
317.13629	0.3
325.08694	0.2
375.17258	0.2
403.17358	0.7
419.16800	2.8
515.22620	1.7
559.21490	100.0
560.21838	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	559.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.3
60.10989	0.2
67.05501	0.2
70.06609	0.4
70.55320	0.5
85.02916	0.3
86.09725	0.3
91.05486	0.5
98.97598	0.8
116.98634	0.4
120.08106	0.3
130.04985	0.2
136.06201	0.6
227.06067	0.2
245.06960	0.4
251.09627	0.4
263.08246	0.2
367.80933	0.3
397.25577	1.4
489.50638	0.2
495.27994	0.3
529.29919	4.7
530.30109	0.3
559.30914	100.0
559.37140	4.7
560.31305	7.5
560.38403	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	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03429	2.9
53.03943	13.1
55.01871	13.8
55.05512	47.1
55.79379	2.8
57.03442	8.9
60.76870	2.5
63.54222	2.8
65.03947	3.6
67.05502	62.2
67.05839	4.7
69.03445	3.6
69.07076	25.5
71.05003	7.7
71.29413	2.5
79.05493	58.5
79.05907	2.1
81.03423	100.0
81.07063	52.8
83.04989	19.2
83.08622	46.4
85.02908	3.7
91.05485	57.7
91.06018	4.7
93.07052	39.4
93.13283	2.6
94.07250	2.8
95.04971	67.2
95.08606	26.5
97.02896	4.9
97.06515	7.6
97.10188	12.4
99.04486	5.2
103.05449	2.8
105.07029	45.8
107.04944	15.7
107.08586	32.1
109.06516	11.9
109.10146	14.5
109.45202	2.7
111.04435	12.5
111.08058	13.3
115.05491	6.4
117.07029	18.1
119.08572	32.4
121.06510	10.6
121.10124	17.5
123.08102	8.8
123.11661	5.5
125.09632	15.9
129.07021	16.2
131.08589	31.7
133.06595	5.7
133.10123	19.0
135.08055	8.0
135.11665	7.0
138.04549	3.1
141.07050	3.2
142.07774	5.9
143.08604	5.2
145.06573	4.6
145.10124	21.5
147.08043	6.7
147.10648	3.0
147.11678	15.9
149.05962	3.3
149.09644	22.4
149.13271	4.7
151.11211	3.6
155.08636	4.6
157.10104	14.3
159.08020	4.2
159.11719	12.4
161.09624	4.9
161.13254	3.3
163.11143	24.5
165.12828	6.6
169.10152	4.9
171.10390	3.1
171.11714	6.0
173.09575	3.4
173.13321	3.0
175.11200	11.1
177.12727	3.9
187.11266	5.1
189.11234	10.0
189.12740	4.4
193.12233	23.4
194.31683	2.7
205.12224	6.4
211.13313	4.4
223.13280	27.3
227.12651	5.2
237.97205	3.3
249.14868	5.2
250.68291	3.1
257.19040	6.4
262.31216	3.0
267.15927	25.6
273.18665	3.2
275.20093	69.9
276.20526	3.8
286.09393	3.1
291.19543	3.6
293.21048	18.2
323.19943	4.3
331.22433	3.1
333.39682	3.1
341.21228	6.7
349.23749	17.8
357.24091	4.1
415.24994	4.8
431.28015	4.3
433.25748	16.3
461.28955	7.3
467.31531	4.0
485.32568	5.4
511.48804	2.8
541.35150	17.1
559.29291	4.7
559.36444	56.8
560.36664	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.5
55.01875	10.6
55.05512	42.9
57.03444	8.7
57.07072	2.8
57.43388	1.1
59.05015	1.3
65.03933	6.3
67.05504	63.6
67.86197	1.2
69.03429	5.1
69.07068	28.6
71.05000	5.9
79.05493	59.3
80.05861	1.3
81.03419	89.1
81.07057	100.0
82.03757	1.7
82.07420	2.0
82.32669	1.1
83.04993	10.9
83.08622	29.3
85.06562	4.2
90.39483	1.3
90.58736	1.2
91.05482	57.5
93.07043	41.7
95.04969	37.9
95.08607	36.2
97.02904	2.3
97.06534	11.8
97.10170	15.6
98.22624	3.1
99.08109	3.4
103.05523	2.4
104.06182	1.2
105.07027	55.9
107.04967	14.3
107.08586	25.3
109.06512	19.3
109.07150	1.6
109.10157	14.4
111.04438	2.6
111.08065	10.9
113.05981	1.6
115.05493	4.0
116.06288	1.3
117.07009	15.3
119.04948	2.6
119.08585	37.3
121.02944	2.9
121.06512	11.7
121.10136	20.2
123.04430	1.7
123.08076	8.0
123.11716	8.8
125.09636	12.4
128.06256	2.2
129.07007	16.9
131.08575	25.5
133.06522	7.5
133.10133	22.8
133.11061	1.9
135.08069	7.0
135.11662	7.0
137.09645	5.5
139.11162	1.4
141.07010	3.6
142.07794	5.0
143.08551	8.0
144.09413	1.4
145.06519	4.7
145.10129	15.1
147.08044	7.8
147.11694	31.4
149.09633	12.8
149.13298	5.5
151.11211	3.1
153.09081	1.5
155.08589	4.4
157.10127	16.1
157.52081	1.2
159.08072	3.7
159.11674	9.9
161.09624	3.8
161.13301	5.2
162.50096	1.4
163.11223	9.1
165.09076	1.4
165.12744	9.3
167.08673	1.9
168.09433	1.2
169.10194	3.8
171.08139	2.3
171.11723	5.6
173.09697	4.1
173.13303	5.2
175.07645	1.3
175.11186	11.8
175.14909	1.2
177.12766	4.4
179.08566	1.3
179.14267	2.3
181.10164	2.1
183.11761	3.0
185.09642	2.3
185.13316	4.5
187.11258	3.3
189.11255	5.5
189.12799	2.2
193.12241	20.1
197.13211	2.8
201.12776	1.5
203.14362	2.3
205.12347	1.7
205.15921	1.6
209.13295	1.2
211.13185	1.9
215.14395	1.9
219.13870	1.8
223.11345	1.4
223.13222	2.0
227.12799	4.2
229.19553	2.5
231.14040	1.5
239.18040	3.0
247.20624	4.1
249.14975	2.9
257.19077	4.8
259.17035	1.4
267.15903	19.5
267.35938	1.3
271.20523	1.2
273.18524	4.0
275.20053	38.8
276.20462	2.5
277.18173	1.6
291.19690	2.8
293.21118	6.7
297.22147	2.0
299.20004	4.4
313.21619	1.7
315.23151	6.5
317.21255	1.3
331.22659	1.6
336.11401	1.3
349.23813	10.1
357.24493	2.2
371.26031	1.5
387.25674	1.4
399.25299	1.6
421.31152	2.6
431.29059	2.9
439.32254	2.7
447.27686	1.6
449.30331	7.9
467.31543	14.3
468.31952	1.8
485.32886	8.2
489.28970	1.6
490.29324	2.4
513.35535	1.5
523.34113	2.5
541.35156	25.3
542.35162	2.4
559.36334	55.9
560.36652	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.9
53.47940	1.3
55.01870	2.8
55.05516	30.4
57.03441	13.8
57.07081	4.4
65.03940	6.0
67.05509	100.0
68.05829	1.6
69.03417	1.3
69.07076	22.0
71.05000	3.6
73.06577	1.8
77.03939	3.1
79.05497	99.9
80.05829	1.4
81.03436	7.0
81.07060	93.1
82.02669	1.3
83.04984	13.6
83.08626	11.7
85.06560	5.5
91.05486	80.7
92.05830	1.8
93.07050	94.5
94.07388	2.4
95.04979	20.9
95.08614	64.5
97.06548	5.0
97.10181	6.0
99.08031	1.4
103.05481	2.3
105.04527	4.0
105.07036	49.6
106.07352	1.7
107.04976	7.8
107.08591	32.7
107.09282	1.8
109.06533	8.1
109.10153	20.8
111.08109	4.0
115.05457	2.5
117.07007	15.8
119.08586	31.8
121.06512	3.1
121.10139	19.9
123.08048	6.2
123.11721	5.9
125.09624	1.8
128.06248	4.1
129.06996	16.1
131.08589	17.2
133.10150	15.2
135.08069	2.1
135.11710	14.0
137.13277	3.8
139.11209	1.7
141.06982	3.6
143.08559	16.0
145.10133	18.4
147.08041	2.2
147.11691	39.1
149.13277	6.9
155.08597	2.7
156.09462	1.7
157.10146	4.9
159.11691	11.3
161.09612	3.7
161.13269	17.0
163.14880	3.2
169.10133	3.7
171.04164	1.3
171.11705	30.0
171.13110	2.4
173.13293	5.9
175.15031	1.9
177.12769	2.6
179.14354	1.6
182.10973	1.3
183.11752	2.6
185.13329	3.4
187.11240	2.8
187.14745	3.3
189.12767	11.7
201.16403	1.6
207.13811	22.6
211.14853	2.5
219.17511	1.6
243.21059	2.1
259.20483	2.0
261.22180	11.1
279.15945	6.5
281.17474	33.2
282.17825	1.9
299.23843	1.6
317.24902	4.4
333.24664	1.4
335.25818	54.6
336.26190	4.3
431.32904	1.7
449.34091	3.1
467.35114	2.3
485.35992	2.9
523.38019	1.6
541.38861	58.2
542.39197	7.5
559.39929	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16634	2.7
53.03949	12.6
55.01877	10.3
55.05513	33.9
57.03440	14.3
57.07079	4.5
58.81672	2.4
62.47757	2.8
65.03937	6.5
67.05506	100.0
68.52043	2.4
69.03397	2.7
69.07074	25.2
71.04986	7.0
78.81125	2.4
79.05493	91.2
79.53669	2.9
81.03416	11.9
81.07059	99.2
83.04988	15.3
83.08630	17.0
85.06538	6.4
91.05482	79.6
93.07045	93.8
95.04974	20.7
95.08608	60.6
97.06517	6.3
97.10189	7.7
99.08073	2.7
103.05457	2.3
105.04523	3.2
105.07037	57.2
107.04961	12.3
107.08600	38.6
109.06536	8.6
109.10177	18.4
111.08110	6.2
115.05503	3.8
117.07025	21.1
119.08586	39.1
121.06528	6.8
121.10164	23.0
123.08067	11.8
123.11707	6.2
128.06215	5.6
129.07004	17.4
131.08560	26.4
133.10144	25.5
135.08141	3.3
135.11676	15.0
143.08525	12.2
145.10144	22.3
147.11702	36.2
147.57765	2.4
149.09549	2.9
149.13295	10.6
151.11154	2.9
152.82153	2.6
155.08580	5.7
156.09416	2.8
157.10152	8.8
159.11688	13.2
161.09689	2.8
161.13297	12.6
163.11206	4.5
163.14870	2.8
165.12740	3.0
169.10168	7.3
171.11700	27.5
172.82249	2.8
173.13275	6.3
177.12711	3.7
183.11708	5.6
185.13306	6.2
187.14893	3.8
189.12752	10.1
197.13313	5.3
199.14841	3.9
207.11931	3.7
207.13818	18.0
244.41382	2.9
261.22107	8.1
273.18665	3.3
275.20175	5.6
279.15811	3.8
281.17444	37.6
291.19632	6.0
335.25818	41.8
341.25278	3.3
354.24115	2.6
527.37518	11.7
529.39270	4.5
541.39087	49.6
542.39160	5.1
559.39160	21.0
560.37524	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	560.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
51.59870	0.3
53.03942	0.4
55.01867	0.9
69.03426	0.9
70.06562	0.4
71.30897	0.4
79.01851	4.7
79.05502	1.8
82.52762	0.3
85.02913	2.5
91.05468	0.8
97.02903	1.7
103.05447	2.1
104.06241	0.5
105.04469	0.4
105.07033	14.8
106.07330	0.4
107.01315	1.0
107.04912	0.8
109.02863	0.4
115.05440	2.7
118.04179	1.0
123.04450	1.8
125.02364	2.4
127.03981	0.7
131.04932	0.7
132.05690	0.3
133.06497	14.4
134.06862	0.5
137.05984	1.2
143.03407	6.1
143.05019	0.4
143.06039	1.3
147.04530	0.4
149.06007	0.7
153.01831	100.0
153.02895	5.5
154.02155	2.2
161.05988	18.1
162.06419	0.7
167.07040	43.8
168.07396	1.4
178.06224	0.8
180.08728	1.0
181.08577	0.4
193.08607	37.6
194.08955	1.3
211.09654	10.7
212.10092	0.4
363.10733	26.3
364.10992	1.5
381.11798	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	560.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94290	3.6
53.02491	3.4
53.03945	8.8
55.01878	3.9
55.05498	9.5
67.05512	29.6
69.03432	12.2
69.07076	18.8
69.60632	21.1
71.04999	4.2
79.05473	18.8
81.03427	46.4
81.07056	81.7
83.04974	8.3
83.08630	8.1
85.02901	9.7
85.06522	5.4
85.56957	3.5
91.05480	32.6
93.07053	14.8
95.04956	11.7
95.08596	14.8
97.02876	15.4
97.06552	6.4
98.38561	3.9
99.04438	6.8
100.11259	5.7
105.07030	47.1
105.73765	3.4
107.04943	7.1
107.08607	17.9
109.02869	29.4
109.06523	9.5
111.00852	4.2
111.04485	5.5
113.06015	4.2
119.08572	36.8
121.06534	5.8
121.10128	29.0
123.04504	4.6
123.08103	7.2
123.11729	28.7
127.03915	37.8
127.07556	5.9
129.20032	3.5
131.08580	5.3
147.11690	100.0
153.01826	56.3
153.02954	5.8
157.10034	5.2
165.12764	62.9
175.11249	7.3
183.13774	18.7
193.12273	13.6
211.13309	11.3
229.14345	79.5
230.14778	4.7
297.06079	5.6
315.07019	5.1
319.15643	4.6
325.33560	4.7
337.16483	50.6
355.17542	45.6
364.94022	4.2
366.64200	4.6
408.23923	3.9
423.23633	9.2
560.20807	19.7
560.30548	6.8
561.19293	15.1
561.27551	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	560.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.4
55.01866	10.6
55.05515	39.9
57.03435	13.2
57.07072	6.1
58.39677	4.2
62.86249	4.1
65.03952	7.6
67.05510	100.0
69.07063	33.4
70.07407	4.2
71.04990	8.1
71.30801	5.4
78.12424	4.0
79.05501	57.7
81.03424	72.0
81.07066	88.6
82.07397	5.7
83.04993	8.7
83.08624	25.5
85.02929	4.9
85.06525	4.2
85.10203	4.6
91.05486	54.2
93.07064	60.2
95.04953	28.0
95.08611	50.3
96.08924	4.9
97.06499	7.4
97.10177	12.6
98.98467	14.0
99.08128	5.4
103.05480	4.3
104.10753	14.4
105.03389	4.3
105.07044	41.2
107.04971	8.8
107.08590	36.1
109.06519	10.8
109.10164	36.2
111.08127	7.7
117.07038	16.1
119.08600	27.9
120.08949	5.6
121.06509	5.2
121.10157	28.3
123.11709	13.5
125.09634	8.9
128.06296	4.9
129.07008	13.5
131.08615	24.1
133.10121	23.8
135.11787	21.3
137.13246	6.5
137.70447	4.9
145.06506	5.4
145.10126	10.8
147.11699	21.1
149.13269	19.4
151.11183	5.2
155.01071	12.8
157.10130	9.4
159.11700	12.6
161.13246	7.6
165.12750	18.7
171.11852	5.1
173.13277	9.7
175.11087	5.1
175.14867	6.5
177.12721	4.9
189.11227	5.1
193.12288	11.6
227.12637	4.8
243.21175	16.2
261.22156	44.5
267.15958	19.2
275.20065	8.4
276.20468	6.3
277.21591	18.0
279.22787	4.4
293.21164	6.9
295.22754	20.3
335.25766	7.9
336.72250	4.1
337.27505	10.8
351.25391	8.1
353.26862	13.1
433.25906	7.1
433.31577	5.4
463.30582	21.5
468.31989	10.7
469.32343	5.8
542.35895	12.6
543.37183	14.8
554.67285	4.2
560.36615	17.7
561.37146	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	25.0
57.03459	10.6
65.03904	9.2
67.05506	69.4
69.07070	23.9
69.81902	32.9
71.04999	9.0
72.36422	8.7
79.05489	40.4
81.03399	15.6
81.07063	100.0
83.04986	16.4
83.08615	19.4
85.63135	9.0
91.05479	39.0
93.07041	45.5
95.04943	12.4
95.08598	36.5
97.06546	9.2
98.23303	9.4
105.07022	37.3
107.08581	32.1
109.10146	20.5
118.33923	8.2
119.08564	24.5
121.10152	26.4
123.11720	13.8
131.08545	22.1
133.10103	19.6
135.11696	15.0
145.10077	11.4
147.08086	9.7
147.11674	19.1
149.13268	19.0
159.11774	11.0
163.11125	9.1
187.14680	8.7
227.86772	8.3
243.21106	22.6
261.22211	32.8
269.17502	9.2
275.19980	22.1
277.21634	7.9
335.25723	15.1
543.36078	12.0
560.36340	22.0
561.37646	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	560.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.2
57.03444	3.7
57.07084	14.2
67.05511	37.7
67.19931	1.0
69.07084	5.0
71.04996	12.8
71.08643	12.8
79.05511	3.4
81.07068	10.7
83.08622	7.2
85.06531	1.4
85.10196	8.4
91.05489	7.1
93.07063	5.5
95.08601	11.5
97.06571	1.7
97.10185	3.3
98.23420	1.5
107.08595	2.8
109.10164	31.5
110.10535	1.0
114.98191	0.9
119.08604	4.4
121.10147	2.1
123.11735	1.9
125.73190	1.0
125.84519	1.0
126.09609	1.0
135.11739	3.7
137.09631	3.7
140.62823	1.0
145.10027	1.3
155.10654	3.2
163.11212	2.9
173.11746	4.5
181.12296	1.1
209.42139	1.2
239.23636	1.8
243.15984	1.5
255.15950	4.6
287.18530	20.7
288.18835	1.5
307.51410	1.1
313.27353	23.1
467.37357	100.0
468.37732	8.5
481.38803	4.4
493.38721	3.9
525.41553	31.4
526.41473	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	561.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.8
68.78451	1.0
93.69552	1.2
95.67141	1.0
98.97559	2.0
110.97581	1.6
121.06474	1.2
123.04401	5.4
127.03951	1.5
137.02461	1.3
147.04358	1.1
153.01846	3.9
155.03264	2.7
161.74286	1.2
171.02736	1.9
192.03949	2.4
221.23830	1.1
234.08673	3.3
237.02928	1.4
257.04544	1.5
289.71222	1.4
297.60352	1.2
305.81915	1.3
327.05603	1.5
340.06528	1.2
345.06506	1.4
369.09833	1.6
372.08713	6.3
384.08716	2.5
387.11240	5.8
390.09918	5.2
391.10510	1.7
399.10947	1.9
399.27386	1.6
405.12314	4.7
417.12347	3.7
435.13184	2.9
472.19583	1.4
501.14331	1.4
531.15405	4.0
561.17285	100.0
561.31848	35.5
562.17438	7.7
562.32367	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	561.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.5
71.30820	1.6
83.08983	1.6
84.72549	1.5
96.58749	1.6
98.97581	2.5
113.02155	1.8
123.04459	5.0
153.01884	4.5
155.03174	4.8
157.50343	2.0
171.02684	4.6
201.05382	2.7
219.06277	3.5
234.08678	6.2
236.09117	1.7
257.04468	2.7
295.91257	1.7
349.09161	2.4
372.08707	5.4
384.08755	1.9
387.11258	4.9
390.09909	3.9
405.12231	5.1
417.12143	3.7
504.35172	2.0
531.15466	1.9
561.17688	100.0
561.32159	47.0
562.17926	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	561.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	0.4
53.65290	0.3
55.39560	0.3
70.06585	0.4
73.75961	0.3
81.71136	0.3
83.01118	0.4
90.13357	0.3
92.38702	0.3
95.01113	1.2
96.01898	0.7
113.02163	1.2
121.06555	0.4
123.04431	7.1
127.03944	2.1
135.04448	0.6
147.04404	0.5
151.03964	0.4
153.01826	0.7
157.04811	0.4
163.03951	1.4
167.03445	0.4
185.04219	2.7
185.05727	0.6
201.03708	0.4
203.05225	0.4
203.32582	0.3
223.53392	0.3
247.06035	0.6
257.04538	0.7
271.06161	0.5
287.05487	0.8
299.05435	0.4
301.48694	0.3
313.07260	0.4
351.10458	0.4
365.12317	0.4
381.11789	0.7
399.14307	0.6
402.04468	0.4
409.09378	0.8
421.09006	0.4
466.31247	0.3
470.53513	0.4
561.19446	100.0
561.31567	3.9
562.19830	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	561.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59364	0.4
70.09132	0.5
70.09463	1.2
83.01103	1.0
95.01085	2.7
98.22780	0.4
98.97593	0.5
100.11230	0.6
113.02139	2.5
121.06606	0.4
123.04457	0.7
123.91492	0.4
127.03703	2.2
137.02126	1.3
153.01826	0.7
154.02463	0.5
155.03160	12.6
158.48541	0.4
163.03870	0.4
171.02658	7.5
172.03493	0.5
182.13478	0.3
189.05301	1.1
201.05244	3.0
202.06044	0.9
217.04807	1.3
219.06308	6.8
220.03485	0.6
234.08644	16.9
235.09218	1.2
244.75862	0.5
253.16331	0.4
257.04550	1.6
275.05310	0.7
282.90955	0.4
289.07010	0.5
315.08411	0.5
333.09488	1.1
349.08963	7.2
381.13251	0.6
510.17413	0.4
530.17694	0.4
531.18579	0.7
561.19427	100.0
562.19836	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	561.1944
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
65.10390	0.3
66.00840	0.5
71.29240	0.3
71.30540	0.4
81.03185	0.5
83.01089	1.7
84.01928	0.5
95.01090	4.7
96.01868	2.0
111.00585	0.6
112.01339	1.6
113.02127	5.1
123.04414	0.5
127.03886	0.6
139.03780	0.7
141.05223	0.4
144.95406	0.3
148.18437	0.3
153.01782	0.7
157.04727	1.5
163.03880	0.4
167.03177	1.4
185.02536	0.4
185.04210	10.5
201.03694	10.9
201.05325	2.2
202.06094	0.4
204.07614	2.5
219.06273	3.4
228.22415	0.3
247.06169	0.4
289.06876	1.5
363.10443	2.0
379.09958	1.2
381.13080	3.9
561.19360	100.0
562.19812	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.20625	0.4
53.75463	0.4
55.01865	0.6
55.05508	0.5
64.72133	0.4
65.03937	0.6
67.05497	1.7
68.99791	1.4
69.07067	0.5
70.06596	0.5
76.51220	0.5
77.03928	0.7
79.05498	1.1
81.03426	0.8
81.07056	1.1
83.04987	0.7
87.04465	2.4
91.05463	1.3
93.07038	1.7
95.04977	1.4
95.08607	0.6
97.06506	0.6
99.04438	0.7
102.66248	0.4
105.03403	1.8
105.07028	0.9
107.08617	1.4
109.06501	0.4
111.00817	1.2
111.04454	1.8
111.08061	0.6
117.06957	0.5
119.08627	0.6
121.06540	1.9
123.04433	100.0
124.04760	2.2
127.03927	0.6
131.08568	0.5
135.04433	2.2
139.03908	55.6
140.04251	1.3
143.07010	0.5
145.10161	0.6
147.04408	5.3
147.11707	0.8
151.03909	3.3
157.10143	0.7
161.06012	0.8
163.03900	1.9
163.07591	1.4
165.05507	0.6
165.12744	0.6
175.11165	0.7
189.05450	1.3
189.12660	0.7
193.12215	0.6
199.07417	0.5
199.11192	0.7
203.07141	0.5
207.13858	0.6
211.13411	0.7
217.12250	3.9
227.07185	0.6
231.06644	0.6
235.13254	3.9
245.04468	0.6
253.14388	3.2
255.06529	0.8
273.07593	30.1
274.07950	1.4
291.08673	1.2
545.43945	0.5
561.31384	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	561.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01868	5.6
55.05515	18.1
57.03443	8.2
57.07079	2.4
65.03942	4.2
67.05512	61.7
67.23969	1.5
69.07080	19.7
69.60345	6.3
71.05002	4.8
71.08645	4.4
77.03823	1.6
79.05501	44.3
80.05843	2.3
81.03428	26.1
81.07065	81.3
82.07376	2.2
83.04984	7.6
83.08625	18.7
85.02928	2.0
85.06550	4.9
85.10183	1.8
91.05490	33.2
91.06363	1.5
92.05785	2.5
93.07052	56.4
94.07404	2.1
95.04993	13.5
95.08617	22.9
97.06541	9.8
97.10199	2.0
98.98467	4.0
99.08095	6.4
105.07042	15.8
107.04967	4.6
107.08607	34.4
109.06529	4.0
109.10186	6.2
111.04478	2.2
111.08083	12.4
113.09603	1.9
117.07027	7.7
119.08579	9.3
121.06533	2.5
121.10149	19.2
123.08072	2.3
123.11714	4.7
125.09669	2.6
129.06985	5.1
131.08575	11.9
133.06516	2.3
133.10132	13.7
135.08107	3.7
135.11693	9.8
137.09625	2.5
139.23695	1.8
145.10114	3.4
147.11685	6.5
149.09627	2.9
149.13278	24.3
151.11256	3.4
155.01021	2.7
157.10141	2.9
159.11737	10.4
161.13344	2.5
163.11287	2.3
165.12798	4.0
175.11182	3.0
177.12730	6.8
185.13351	1.9
193.12251	7.4
195.13840	14.0
211.13365	2.3
213.14813	3.1
259.20636	2.5
267.15994	4.3
269.17465	5.7
275.16257	1.7
275.20081	4.9
277.21640	7.4
295.22678	4.1
349.13983	4.1
351.25064	2.6
398.43793	1.7
461.28995	2.1
462.29239	4.0
463.30576	100.0
464.30759	10.4
543.36798	2.9
561.38153	12.9
566.63184	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	561.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.3
60.05645	0.9
67.43571	0.7
70.06594	2.5
71.30177	1.1
93.21056	0.8
107.45467	0.6
116.07094	1.5
121.06541	0.9
136.30284	0.7
143.04959	2.3
153.03377	1.1
159.04491	1.0
161.05975	1.2
166.02972	1.8
168.04445	1.2
168.32430	0.6
169.02866	2.4
169.07594	0.9
170.06021	11.0
171.04413	12.4
175.11861	4.1
184.03972	1.0
186.05551	0.9
187.04005	1.2
187.08665	4.0
188.07097	9.2
189.05481	11.7
190.03882	2.7
195.05360	0.8
196.04935	5.4
205.09827	0.9
206.08157	0.7
207.06531	4.6
208.04919	0.9
213.07607	49.6
214.04980	6.5
231.07669	32.3
232.06026	6.7
232.07964	0.7
249.08739	12.7
254.09364	0.8
256.09613	0.9
283.10806	2.0
285.12363	18.9
286.10629	1.2
310.11887	6.3
327.14542	22.1
328.13049	0.8
328.14685	0.6
345.15628	0.9
352.13855	1.3
369.16782	9.9
381.03979	0.9
387.17773	100.0
388.18085	5.0
587.82904	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05514	2.8
57.03434	1.3
57.07076	1.1
67.05507	3.9
69.06045	1.5
69.06467	1.5
69.07072	2.2
71.04977	1.3
79.05492	3.0
81.07065	5.4
83.08620	1.5
89.03915	6.1
91.05473	1.9
91.07179	0.5
93.07053	3.1
95.04979	0.7
95.08631	2.5
97.10174	1.4
98.47616	0.4
105.07030	1.2
106.04108	0.6
107.08598	1.8
109.10152	1.0
117.03381	14.1
118.87219	0.4
119.08585	1.1
121.10146	1.3
123.11682	0.5
133.10133	1.1
134.03589	0.7
135.04434	1.0
135.11702	0.8
145.02847	38.3
146.03128	1.1
149.05984	4.9
149.13251	0.9
159.11688	0.6
163.03893	0.9
177.05472	100.0
178.05794	3.5
186.05553	1.3
195.06491	1.6
209.04732	0.5
237.98155	0.4
251.09354	0.5
270.14117	0.4
470.03033	0.5
561.25031	2.8
561.37268	3.8
562.24976	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
52.57063	0.4
53.03945	4.7
55.01883	6.3
55.05515	21.4
57.03437	6.0
57.07076	2.6
59.04991	0.4
65.03940	3.2
67.05508	59.9
68.05840	0.7
69.03429	1.3
69.07072	24.5
70.07406	0.8
70.53157	0.7
71.01362	0.7
71.05001	4.8
71.08637	1.0
73.06561	0.5
77.03926	0.6
78.34833	0.5
79.05498	48.1
79.38479	0.4
80.05855	0.5
81.03423	5.0
81.07061	100.0
82.07377	2.3
83.04991	6.4
83.08623	17.0
85.02895	0.9
85.06554	3.7
90.82708	0.5
91.05484	35.3
92.05814	0.7
93.07049	47.4
94.07374	1.5
95.04979	10.8
95.08612	28.7
97.06540	10.0
97.10181	2.0
99.04453	0.5
99.08112	4.0
103.05491	1.0
105.04523	1.5
105.07034	29.4
106.07377	0.7
107.04958	7.0
107.08598	29.6
109.06522	16.8
109.10165	8.7
110.06836	0.7
111.04469	0.6
111.08090	6.3
111.11713	0.7
113.06029	0.6
113.09655	1.3
115.05453	0.9
117.07030	9.9
118.07372	0.5
119.08588	19.3
120.08900	0.6
121.06522	3.5
121.10148	20.0
122.10569	0.6
123.08079	5.8
123.11713	8.1
125.09634	1.8
127.07569	1.2
128.06253	1.2
129.07025	2.8
130.07788	0.8
131.08577	12.8
133.06503	1.1
133.10136	14.1
134.10493	0.5
135.08052	3.4
135.11688	7.7
137.09618	2.7
137.13252	0.9
139.07529	0.5
139.11172	2.1
141.07022	0.6
143.08595	1.9
145.06540	0.7
145.10141	7.3
147.08054	1.9
147.11691	18.6
148.12030	0.7
149.09634	7.3
149.10699	0.7
149.13264	20.6
150.13669	0.8
151.11200	2.5
153.09076	0.9
155.08562	1.6
157.10150	3.8
159.08064	0.6
159.11700	12.5
161.09639	1.2
161.13229	3.2
163.11174	5.8
163.14853	1.4
164.75880	0.5
165.12761	7.5
167.14270	0.6
169.10121	1.0
171.11682	2.3
173.13251	3.0
175.11241	2.1
175.14828	0.9
177.12764	4.3
179.14357	0.8
183.11732	1.6
183.13643	0.5
185.13364	0.6
187.11253	0.9
187.14859	1.5
189.12775	1.0
191.10663	0.7
191.14339	1.2
193.12256	2.0
195.13817	6.3
197.13313	1.7
201.12761	1.1
201.16281	0.6
205.15895	0.6
207.13795	1.0
213.14796	1.0
215.14386	0.6
215.17964	1.0
219.13771	0.7
219.17468	0.5
227.12871	0.7
229.14305	0.9
229.19473	2.4
233.15367	1.3
239.18091	1.2
247.20602	4.0
257.18997	3.7
259.20715	0.6
265.21600	0.5
267.15884	3.3
269.17484	14.7
270.18011	0.9
275.20074	41.7
276.20477	2.8
277.21606	1.0
293.21103	7.6
331.22745	1.0
349.23755	13.6
350.23758	0.8
367.24808	0.8
433.30859	0.5
451.32114	1.5
469.33264	2.1
479.30255	0.6
487.34241	1.1
498.53589	0.5
525.36060	0.7
543.36829	15.3
544.37115	1.7
561.37860	24.4
562.37915	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	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.0
55.01867	7.9
55.05513	39.2
57.03436	11.4
57.07075	4.6
61.31911	2.4
62.69275	2.7
65.03954	6.1
66.72761	3.0
67.05506	82.9
69.07069	31.4
69.85430	10.9
71.05000	6.4
71.08633	32.5
72.70769	2.4
79.05496	75.7
81.03426	60.1
81.07060	100.0
82.07367	2.9
83.04986	15.6
83.08626	28.4
83.80477	2.4
85.06528	5.5
91.05479	67.7
93.07050	90.1
95.04965	37.9
95.08049	4.1
95.08611	47.5
97.06536	12.1
97.10177	9.2
99.08095	25.0
105.07035	55.9
107.04964	13.0
107.08588	43.6
109.06522	10.0
109.10167	20.8
111.08089	10.8
113.09708	4.2
115.05498	2.7
117.07012	16.5
119.08590	34.0
121.06516	6.9
121.10145	31.3
123.08060	4.6
123.11723	8.3
125.09644	7.0
128.06171	2.8
129.07042	14.0
131.08557	23.8
133.06508	3.7
133.10141	29.3
135.11688	35.4
137.09586	5.3
143.08569	6.8
145.10152	15.4
147.11696	22.2
149.09650	7.4
149.13255	19.9
151.11194	21.4
157.10127	6.3
159.11702	11.1
161.13219	19.2
163.11186	16.4
163.14844	4.6
165.12782	6.3
171.11734	4.3
173.13289	6.6
175.11252	6.7
175.14847	3.2
177.12737	6.5
179.14276	29.9
189.11237	3.8
189.12862	3.9
193.12219	17.4
195.13846	5.0
199.14807	3.8
221.15437	3.6
227.12714	14.0
241.19534	3.2
259.20557	6.0
261.22034	4.8
267.15891	47.3
272.66046	2.7
275.20117	10.0
277.21634	57.2
278.22153	4.6
283.15390	9.5
293.21054	12.8
295.22723	11.1
335.25821	12.0
351.25302	25.2
410.95062	2.8
463.30377	16.3
469.32892	5.8
543.36890	60.4
544.36926	8.5
561.37970	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	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03947	4.1
53.28445	0.4
55.01875	2.4
55.05510	23.3
55.19004	0.4
57.03439	3.0
57.07079	2.4
59.04987	1.5
60.27884	0.3
61.02914	1.3
61.31139	0.4
65.03936	5.4
66.04681	0.4
67.05505	85.0
68.05830	1.2
69.03432	3.0
69.07067	16.7
71.04992	56.7
71.08636	0.6
72.05308	0.5
73.06538	0.8
74.53452	0.4
77.03926	1.1
79.05493	68.9
80.05838	1.0
80.06261	0.4
81.03417	1.7
81.07056	100.0
82.07378	1.5
83.04980	11.4
83.08618	10.8
84.73133	0.4
85.06545	6.1
87.04489	0.5
91.05479	61.3
92.05815	1.0
92.56931	0.4
93.07043	65.0
93.38463	0.4
94.07389	1.3
95.04967	9.1
95.08607	38.7
96.08952	0.8
97.06532	9.9
97.10152	2.2
99.08083	2.4
101.05997	0.8
103.05466	1.0
105.04517	2.5
105.07030	34.1
106.07348	0.6
106.38835	0.4
107.04932	0.8
107.08591	34.9
108.08925	0.6
109.06529	4.1
109.10159	16.5
111.08080	3.3
113.09663	0.6
115.05437	1.1
117.07021	11.6
119.06068	0.7
119.08583	14.9
121.06597	0.5
121.10143	24.3
122.10454	0.7
123.08082	1.7
123.11700	19.0
124.12052	0.6
125.09634	1.5
127.07608	0.6
129.06982	2.2
130.07797	0.5
131.08571	14.3
133.10129	31.4
134.10446	1.0
135.08076	1.1
135.11696	16.1
137.09653	0.6
137.13300	0.6
139.11226	0.7
143.08534	2.1
144.09286	0.6
145.10115	7.1
147.11690	6.2
149.09645	1.1
149.13255	13.2
149.15912	0.4
151.11185	14.6
153.12708	0.7
155.08499	0.6
157.10187	1.5
159.11688	11.7
161.13255	5.5
163.14815	1.5
165.12819	1.4
167.14342	0.9
169.10152	0.5
169.12303	1.0
171.11688	1.2
173.13252	4.9
175.14821	1.9
175.28020	0.5
177.12767	4.3
179.14374	0.7
183.13811	18.0
185.13261	0.9
187.13304	2.8
187.14874	1.7
189.16319	0.7
195.13809	5.4
197.13229	0.5
199.14867	0.5
201.14876	1.2
201.16504	0.6
205.16019	0.5
209.15392	0.6
211.14864	0.5
213.14894	1.2
213.16603	0.6
227.16443	2.1
243.21175	1.0
253.18077	1.2
257.17383	2.2
259.20621	0.8
261.22101	4.5
269.17413	2.7
275.19977	0.7
283.18951	2.1
285.16882	5.1
285.22107	0.5
287.23666	0.5
289.21640	0.8
289.91257	0.5
293.21140	0.5
317.24792	1.4
333.24225	0.5
335.25760	2.0
349.27252	0.9
361.27441	2.2
363.25241	3.1
398.14301	0.4
437.34445	1.2
455.35300	0.9
485.36087	0.8
501.39667	0.5
511.37720	0.8
517.38916	21.1
518.39087	1.6
529.38837	10.4
530.39478	0.7
561.41510	50.9
562.41821	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	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01873	4.5
55.05517	19.6
57.03434	4.5
57.07078	2.9
60.72837	1.2
61.58273	1.2
65.03940	2.6
67.05510	38.6
69.07063	14.5
71.05006	14.9
71.08629	3.4
79.05503	27.2
79.05965	1.4
80.71517	1.1
81.06586	2.3
81.07064	45.9
82.12106	1.2
82.77208	1.1
83.04992	3.8
83.08631	10.3
84.76546	1.2
85.06549	4.9
88.06432	1.5
89.04734	1.1
91.05486	34.2
93.07056	32.5
94.07424	1.7
95.04978	4.6
95.08618	26.8
97.06540	6.3
97.10156	3.2
99.08120	1.7
105.04628	1.2
105.07042	26.6
107.04942	3.1
107.08603	14.2
109.06548	3.1
109.10165	9.4
111.04409	1.4
111.08101	2.2
117.07022	14.2
119.08595	24.5
121.06568	2.1
121.10174	11.6
123.08076	2.5
123.11711	5.0
125.09688	2.3
129.07021	9.3
131.08562	23.4
133.10144	15.0
135.08087	2.3
135.11710	6.1
137.13239	1.6
139.11232	1.5
141.07057	1.7
143.08598	11.6
145.10135	18.8
147.08023	1.5
147.11710	6.2
149.09685	1.5
149.13260	5.8
151.11220	2.3
153.12674	1.3
155.08591	3.4
157.10161	8.3
159.11703	11.3
161.13297	5.3
163.11197	2.5
163.14893	1.6
169.10118	5.2
171.11705	6.6
173.13275	5.2
175.14865	3.6
179.14359	1.4
181.10161	2.1
183.11748	4.3
183.13770	1.8
185.13271	4.8
187.11365	1.3
187.14838	4.1
189.16420	2.1
195.11674	2.6
197.13248	3.6
199.14905	4.3
201.16417	2.0
211.14862	2.9
213.16425	3.0
219.17430	1.3
227.12804	1.7
275.20016	1.3
277.21646	1.5
285.22021	2.6
287.23694	3.2
293.21143	3.6
303.23160	1.6
325.25031	1.9
343.26398	1.6
419.33102	2.3
437.34271	8.7
455.35129	3.5
511.37680	5.2
529.38916	100.0
530.39465	9.4
543.36841	1.4
561.42322	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	562.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
54.15132	0.1
55.05511	0.1
63.02357	0.7
69.03420	0.6
69.37199	0.3
69.37594	0.6
70.06631	0.1
78.04718	0.6
78.05566	0.1
81.03426	2.3
83.08607	0.3
85.02917	0.5
89.03916	8.3
90.04271	0.2
91.05475	0.3
93.07025	0.2
95.04933	0.2
99.04474	0.2
100.07627	0.1
100.11257	0.8
103.05492	0.2
106.04163	0.5
109.02901	0.9
111.04460	0.2
117.03382	22.9
118.03702	0.5
119.04769	0.2
121.06529	0.3
127.82835	0.1
128.07123	0.2
132.04440	0.6
134.03642	1.8
135.04402	1.1
139.08690	0.2
145.02847	51.3
146.03204	1.5
149.05974	7.9
150.06317	0.2
160.04004	0.8
161.92894	0.1
162.03127	0.3
163.03922	0.4
164.03413	0.9
177.05469	100.0
178.04773	5.3
179.05305	0.2
182.15569	0.2
186.05492	0.6
188.14844	0.1
195.06583	0.5
206.04494	1.4
209.16545	0.5
210.14847	0.4
220.06221	0.2
220.24727	0.1
224.05553	1.8
227.98505	0.1
240.44502	0.2
321.09665	3.4
336.22717	0.3
337.21320	0.2
339.10767	1.7
443.95801	0.1
562.39270	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	562.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01630	0.2
51.02384	0.2
53.03950	0.3
57.23843	0.1
63.02354	0.8
69.03426	0.7
69.72172	0.6
70.06596	0.2
78.04711	0.4
78.97520	0.2
81.03424	2.2
85.02915	0.6
89.03918	10.1
90.04276	0.2
91.05480	0.6
98.57236	0.2
101.22917	0.1
103.05476	0.4
105.03396	0.2
105.11407	0.2
106.04176	0.6
109.02887	0.9
117.03383	25.1
118.03699	0.4
124.05198	0.3
127.03854	0.2
132.04420	0.7
134.03645	1.7
135.04454	1.4
145.02849	53.3
146.03188	1.5
149.05981	7.9
160.03941	0.9
162.03111	0.3
163.03902	2.6
164.03400	0.9
177.05470	100.0
178.04771	5.0
186.05527	0.4
195.06560	0.5
206.04521	1.3
220.06093	0.2
224.05559	1.4
238.07059	0.3
321.09683	2.2
339.10791	1.7
419.86917	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	562.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44086	2.7
55.01870	3.7
55.05507	10.1
57.03432	12.2
67.05511	21.4
69.01934	28.4
69.03426	6.0
69.07088	4.7
71.04977	3.6
72.40644	3.1
79.05508	22.5
81.03426	100.0
81.07048	20.6
83.04987	12.1
83.08617	22.7
85.02911	9.0
91.05495	32.0
93.07059	19.2
95.04982	29.4
95.08610	6.2
97.02847	3.2
97.10169	5.0
98.23367	6.1
105.07034	19.3
107.04949	7.7
107.08614	7.4
109.06545	6.5
111.08084	9.1
117.06968	3.3
119.04894	3.0
119.08596	20.2
120.05720	9.4
121.06526	5.6
121.07365	2.8
121.10146	10.1
129.06995	11.2
131.08572	13.8
133.10144	8.5
142.07709	3.0
142.37231	2.9
145.10168	5.9
147.11690	9.2
149.09598	6.4
157.10121	14.3
175.11197	12.2
193.12257	36.2
198.19556	2.9
211.13295	22.2
248.51198	3.4
267.13193	6.2
267.15945	90.0
267.18793	5.0
268.15988	3.1
273.14926	3.8
277.08844	3.7
285.16995	25.2
305.07980	4.1
349.21799	3.0
367.22662	12.7
385.23676	13.3
433.25830	7.8
441.26547	3.5
459.27533	39.0
470.16043	15.4
477.28503	34.4
487.37793	3.0
502.18558	13.1
510.05206	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	562.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
54.32430	1.1
54.61842	1.0
55.01873	2.1
55.05512	14.6
55.84339	1.0
57.03438	5.6
57.07063	2.0
59.05001	1.5
65.03953	1.8
67.05506	68.0
68.05827	2.8
69.03396	1.2
69.07066	9.3
70.07404	1.6
71.04600	2.3
71.04995	46.3
71.08615	1.8
79.05490	24.5
81.03431	2.5
81.07056	100.0
82.07388	3.6
83.04958	7.3
83.08627	9.6
85.06548	10.2
91.05477	35.0
91.06012	2.4
92.05843	1.6
93.07047	24.5
94.07391	2.8
95.04974	5.6
95.08614	12.4
97.06550	7.5
97.10157	1.9
99.08096	2.6
104.10781	2.2
105.07017	18.6
107.08601	14.9
109.06508	2.8
109.10159	11.4
111.08102	3.8
117.07044	4.9
119.08578	3.9
120.08951	1.6
121.06516	1.9
121.10136	8.4
122.10531	1.4
123.08043	1.1
123.11712	19.6
125.09668	1.9
131.08565	8.5
133.10132	26.4
133.11066	2.1
134.10420	1.7
135.08002	1.9
135.11707	5.7
135.92647	1.2
139.40601	1.3
145.10132	2.4
147.11673	3.4
149.09642	1.4
149.13293	8.4
150.13638	1.4
151.11186	12.7
159.11632	6.2
161.13319	1.3
169.12157	2.0
173.13239	1.5
177.12711	2.5
183.13785	8.4
184.07294	3.1
187.13329	5.5
195.13847	4.2
213.14948	1.4
225.14871	2.3
227.16415	1.8
257.17401	3.5
262.62164	1.2
269.17538	6.9
273.66840	1.4
273.75937	1.1
276.20410	1.2
277.21683	1.6
283.19153	1.5
285.17044	1.7
301.20068	30.5
308.37473	1.1
409.25955	1.1
419.27499	1.5
425.28906	6.2
437.29053	4.3
451.30548	4.7
463.30508	4.1
464.30869	2.3
469.31635	84.9
470.32047	8.1
478.69125	1.3
483.33234	13.2
495.33115	13.8
527.35718	22.7
528.35883	2.2
545.37769	1.4
562.35382	3.6
563.32367	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	563.1549
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
51.02376	1.3
53.03946	1.3
55.01871	3.2
64.90931	1.0
65.03947	3.0
68.99784	7.1
69.48782	2.1
69.49194	4.3
70.06587	1.7
74.02466	1.2
75.47005	1.1
77.03949	1.1
79.05486	2.4
81.03391	1.1
87.26736	1.0
91.05480	7.1
95.04967	4.4
95.69543	1.1
98.23332	1.5
107.04961	100.0
108.05302	3.4
109.02909	1.4
111.00795	3.0
111.04416	3.9
115.05424	1.4
117.03537	1.0
119.04947	51.6
121.02888	6.9
123.04443	37.3
124.04818	1.3
127.03906	5.7
128.06248	1.6
129.06984	1.1
133.06468	6.1
135.04453	4.2
137.02339	1.6
137.05977	1.3
139.03912	35.0
141.07011	1.8
143.04927	1.3
145.06448	9.0
147.04417	57.2
149.02344	7.7
149.06012	1.4
151.03903	13.5
153.01802	3.0
157.06488	4.8
159.84059	1.2
161.06004	5.8
163.03912	11.4
165.05486	6.9
165.06906	2.0
167.03418	17.9
167.07071	3.1
169.06410	1.7
171.04366	9.0
171.07971	1.6
173.06062	1.8
175.03914	4.7
177.05452	3.7
179.03403	12.4
181.06516	2.5
185.05997	5.8
187.03888	2.7
187.07544	4.3
189.05444	12.5
191.03418	15.4
193.05034	5.8
197.06001	2.0
199.07541	3.4
201.05473	5.8
203.03381	10.0
204.07576	1.3
205.05011	2.0
207.06456	2.1
213.05431	5.0
215.03458	1.8
215.07074	2.8
217.05089	2.3
217.08696	1.4
222.40656	1.0
227.07100	6.6
229.04962	6.0
231.06538	22.6
231.10123	1.6
232.06787	1.4
233.04485	8.5
239.07112	3.4
241.04924	1.6
243.06528	11.2
245.04497	8.1
245.08063	5.3
251.05403	1.6
255.06543	15.7
257.04520	10.6
257.08191	2.1
259.06137	5.7
267.06531	9.2
269.04404	3.8
271.06049	8.7
273.07602	21.0
275.05499	18.2
276.06036	1.2
279.70532	1.0
285.05142	0.7
285.07587	23.0
287.05521	34.8
288.05804	1.7
291.08633	12.1
292.09109	1.3
299.05518	6.0
303.08810	2.9
317.69220	1.3
383.14969	1.3
393.09656	21.9
394.52188	1.1
395.11197	3.6
401.15900	2.0
409.09186	7.4
411.10675	5.6
427.10233	2.1
563.21405	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	563.2099
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
50.00769	0.3
66.00828	0.2
69.72185	0.9
70.06596	2.8
78.82700	0.2
81.03139	0.3
83.01115	1.0
85.02895	0.3
91.05483	0.3
95.01109	1.9
95.05059	0.2
96.01891	1.1
97.02667	0.3
107.04987	0.6
112.01376	0.7
112.08755	0.7
113.02133	3.2
116.21822	0.3
119.04965	1.0
123.04460	1.1
126.02930	0.4
127.03784	0.4
131.04950	0.6
135.81873	0.3
136.07581	0.5
139.03941	0.6
146.73814	0.2
147.04443	0.7
153.01836	0.5
157.04761	0.7
159.04172	0.4
161.02345	0.2
163.03925	1.0
163.91263	0.2
167.03226	0.8
167.07072	0.7
179.03380	0.4
185.04254	4.8
185.05801	0.7
189.05345	1.1
193.14503	0.6
196.48149	0.3
201.03687	1.3
201.05309	0.3
202.04922	0.5
203.05193	1.2
204.07565	3.0
205.04814	0.4
217.05072	0.3
218.08183	1.2
259.06021	0.6
264.08713	1.0
271.06122	0.9
273.07666	0.3
351.10632	0.3
365.12067	1.2
369.96545	0.3
381.11649	0.3
385.01831	0.3
393.09787	0.8
401.16101	0.4
563.21033	100.0
564.21417	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	563.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03952	6.9
55.01878	9.8
55.05517	35.1
57.03449	10.4
57.07077	3.7
59.05011	3.4
65.03664	1.5
65.03943	7.3
67.05511	100.0
67.54346	1.7
68.05871	2.3
69.03450	5.8
69.07076	25.6
71.05012	8.0
71.08641	1.8
79.05502	69.4
80.05836	1.9
81.03429	28.4
81.07064	97.8
82.07421	2.7
83.04987	20.0
83.07787	1.5
83.08627	29.3
85.02915	10.6
85.06566	5.2
91.05488	58.1
93.07056	64.0
94.07381	2.2
95.04975	23.0
95.08616	72.4
97.06546	19.7
97.10177	10.8
99.04463	1.7
99.08097	2.9
100.61015	1.5
103.05508	2.4
105.07037	51.5
107.04968	4.1
107.08602	50.8
108.08972	3.2
109.06554	6.8
109.10164	35.7
110.10492	1.7
111.04483	6.5
111.08109	12.4
113.09660	8.2
115.05495	3.4
117.07032	16.7
119.08589	53.2
120.08932	1.5
121.06541	5.8
121.10160	35.0
121.11039	2.5
123.08115	6.8
123.11716	13.7
125.09616	10.7
128.06239	6.5
129.07019	11.1
130.07823	3.7
131.08582	32.5
133.06537	3.0
133.10149	36.2
135.08066	2.7
135.11697	22.6
137.09682	3.5
137.13339	2.6
139.11150	9.0
141.07066	4.3
141.18033	1.6
142.07806	12.2
143.08565	17.7
144.09337	2.5
145.06548	2.2
145.10132	27.8
147.08051	3.9
147.11702	20.3
148.11958	1.6
149.09654	7.0
149.13223	11.1
151.11208	3.1
153.07005	1.8
153.12796	6.7
155.08614	6.4
155.10709	5.6
156.09314	7.2
157.10138	28.0
158.10915	1.6
159.08043	2.5
159.11711	16.9
161.09607	1.5
161.13283	10.3
163.11235	6.5
163.14867	4.8
165.07047	2.7
165.12837	5.0
167.08609	5.5
168.09364	1.6
169.10133	10.5
171.11703	11.9
173.09659	3.1
173.13264	16.2
175.11224	7.7
175.14897	3.6
177.12804	2.5
179.08624	6.3
179.14365	2.4
180.09395	2.7
181.10188	6.7
181.12195	9.6
182.10992	3.0
183.11691	8.8
185.13324	8.0
187.14922	6.9
189.11264	4.3
189.16417	2.0
191.10664	3.6
193.10277	6.6
193.12312	26.4
194.10924	4.7
195.11754	7.3
195.13829	4.0
196.12512	2.2
197.13216	10.3
199.14769	8.8
201.12817	2.1
201.16498	1.9
205.10089	2.3
206.10933	3.8
207.11760	9.0
208.12408	2.6
209.11626	1.6
209.13301	8.1
211.13255	33.9
211.14893	4.5
212.13664	2.3
213.16490	2.0
217.10214	2.4
219.11725	4.5
220.12483	1.7
221.13258	5.5
221.15483	4.5
222.14079	2.7
223.14893	5.9
225.16556	2.8
227.12732	7.4
232.12578	2.2
233.13278	4.1
233.15421	2.2
234.13893	2.3
235.14886	6.7
235.17050	2.8
243.11716	2.6
243.21181	5.0
244.12436	1.8
245.13268	2.6
246.14236	2.0
247.14803	3.9
247.17117	2.2
249.16457	2.0
251.17969	3.4
258.14047	3.2
259.14960	4.2
261.16330	3.2
261.22168	18.2
263.17938	2.3
265.19562	3.0
267.16034	6.2
269.17441	1.9
271.14761	2.1
273.16357	2.1
277.21872	3.4
279.23230	2.1
283.15152	4.9
285.16815	17.3
285.21912	2.2
286.17172	2.1
289.19623	3.0
295.22791	1.8
299.20575	3.1
299.23666	2.1
301.22067	2.1
301.25226	3.2
303.23471	3.5
317.24841	4.7
335.25833	27.3
335.29608	2.0
351.25494	2.6
355.24258	2.8
395.27304	7.8
407.27597	1.9
417.31345	1.8
435.32663	5.8
441.27533	1.9
453.33862	8.0
456.73138	1.6
471.34857	8.5
487.34201	2.4
489.35800	2.8
527.37347	14.6
532.87842	1.8
545.38373	50.3
546.38824	5.6
563.39063	62.2
564.39203	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03946	6.5
55.01875	7.7
55.05513	42.6
57.03439	12.5
57.07074	3.8
59.04996	1.9
65.03941	5.4
67.05509	95.6
68.05843	2.4
69.03426	5.8
69.07070	25.6
71.05008	7.9
71.08636	2.3
77.03894	1.5
79.05496	61.1
80.05821	1.4
81.03425	29.3
81.07059	100.0
82.07409	3.2
83.04984	17.5
83.08621	25.3
83.09103	1.3
84.09019	1.3
85.02903	12.5
85.06543	5.9
91.05487	56.2
92.05810	1.8
93.07047	62.9
94.07367	2.4
95.04966	20.4
95.08610	59.9
95.43905	1.1
97.02914	1.4
97.06529	15.7
97.10168	12.0
98.22662	2.8
98.33088	1.1
99.08097	4.3
103.05490	2.3
105.04507	2.9
105.07034	51.2
106.07367	2.1
107.04975	3.5
107.07861	2.4
107.08595	44.7
108.08916	1.8
109.06520	6.7
109.10157	34.7
111.04426	7.5
111.08089	13.0
113.06026	1.8
113.09629	5.4
115.05410	2.6
116.06264	1.9
117.07028	16.0
119.08583	41.3
120.08895	2.2
121.06535	2.7
121.10148	30.2
123.08073	5.8
123.11704	13.0
125.09625	10.2
128.06213	5.1
129.07002	15.1
130.07805	2.0
131.08569	28.0
133.06537	1.6
133.10135	29.6
134.10510	1.9
135.08095	3.7
135.11694	17.9
137.09630	3.6
137.13277	2.7
139.11205	2.7
141.07004	4.0
141.09070	1.3
142.07790	6.4
143.08571	12.0
145.06480	1.2
145.10129	23.0
147.08061	2.8
147.11699	18.9
148.12012	1.4
149.09608	7.3
149.13260	12.3
151.11162	3.1
153.09053	1.4
153.12756	4.1
155.08589	6.2
155.10632	1.4
156.09335	3.4
157.10129	21.3
159.08081	1.8
159.11705	13.4
161.09653	2.7
161.13255	10.6
163.11195	5.3
163.14787	3.2
165.07054	1.4
165.12779	5.9
167.08592	3.3
167.10683	1.4
169.10121	7.8
171.11697	8.6
173.09711	1.4
173.13268	12.7
175.11235	8.5
175.14868	3.0
177.12793	2.6
179.08534	2.2
179.14285	2.5
180.09325	2.2
181.10175	5.0
181.12221	6.3
182.10855	1.4
183.11749	6.1
185.13214	5.9
187.14836	4.8
189.11249	4.7
189.16452	1.5
191.10658	2.3
191.14276	1.3
192.09309	1.7
193.10301	3.3
193.12233	30.1
194.10855	2.4
195.11725	6.2
195.13811	3.0
197.13339	4.7
199.14795	4.9
201.12779	1.2
201.16252	1.6
205.10168	1.8
205.15953	2.5
206.10922	2.2
207.11728	3.8
208.12607	1.7
209.13263	4.5
209.15196	1.3
211.13280	37.7
213.16501	2.6
217.09892	1.2
218.10744	1.3
219.11670	1.9
220.12601	1.9
221.13412	2.2
221.15405	2.3
223.14935	2.0
225.16411	2.1
227.12778	5.6
229.14340	2.8
231.11723	1.5
233.13177	2.3
233.15363	1.4
234.13966	1.1
235.14795	2.6
237.16478	2.7
243.11612	1.6
243.21094	3.1
245.13240	1.5
245.18976	1.6
247.14867	1.8
249.16447	1.9
251.18091	2.4
259.32852	1.1
261.16382	2.0
261.22162	13.5
263.17798	1.8
265.19519	2.1
267.15958	4.8
269.17365	2.5
271.14856	1.6
273.16391	1.6
275.20181	2.2
277.21872	5.5
279.23169	3.2
280.85208	1.5
283.15533	3.3
285.16898	18.2
285.21988	2.7
295.22684	4.5
297.21832	1.6
299.20367	1.7
299.23618	1.8
301.25174	2.1
303.23169	4.1
317.24689	3.6
319.22479	1.8
335.25867	24.3
336.26208	1.3
341.24759	2.2
351.25214	2.3
395.27390	2.7
417.31525	1.5
435.32520	5.0
453.33530	8.0
471.34610	8.3
473.32556	1.9
487.34134	1.7
489.35312	1.2
509.36365	1.6
527.37341	14.0
528.37335	2.0
545.38318	40.3
546.38501	4.0
563.39117	36.0
564.39001	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	563.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01863	2.0
55.05243	0.9
55.05513	17.3
57.03436	1.7
57.07068	2.8
59.04987	1.1
61.02917	1.0
65.03930	3.5
67.05507	91.9
68.05814	1.0
69.03423	1.3
69.07069	17.1
71.04993	44.4
71.08619	2.0
77.03920	0.9
79.05493	33.5
80.05818	0.9
81.03426	1.2
81.07057	100.0
82.07402	2.2
83.04984	9.2
83.08624	10.2
85.06545	4.6
89.21272	0.8
91.05481	41.6
92.05798	0.8
93.07045	32.7
94.06578	1.3
94.07372	0.9
95.04974	3.6
95.08609	44.1
97.06536	7.9
97.10182	3.4
99.08102	2.4
105.04553	1.4
105.07032	23.6
107.08597	19.4
108.08916	0.7
109.06525	2.3
109.10155	16.7
111.08083	3.7
114.58559	0.8
115.64578	0.7
116.20447	0.7
117.07030	3.2
119.08584	7.2
121.10143	10.4
123.11707	21.0
123.12572	1.4
125.09679	0.9
127.59722	0.7
129.94426	0.7
131.08540	6.8
133.10129	22.9
135.08046	0.8
135.11705	8.5
136.12086	1.0
137.13275	2.4
139.11131	1.0
145.10124	1.4
147.11723	3.2
149.13254	8.3
151.11188	12.5
151.12296	0.8
151.13591	0.6
151.14838	1.0
153.12810	0.8
157.10214	0.9
159.11714	5.7
161.13277	2.9
162.13591	0.8
163.14853	1.3
165.12871	1.1
167.14326	0.8
175.14870	2.1
177.12733	4.6
179.14355	1.3
183.13805	16.8
187.13304	2.4
195.13774	4.2
213.14891	1.0
227.16339	1.2
245.22716	2.2
257.17627	1.4
262.25281	4.4
263.23727	3.1
263.26157	3.8
269.17630	2.3
280.26489	0.9
283.19016	1.9
285.17017	3.6
285.22537	0.8
291.23325	1.0
319.26477	1.4
337.27551	2.4
363.29065	2.1
365.27078	2.6
513.39746	1.2
519.40509	18.9
520.41150	2.3
531.40356	5.7
545.50842	0.9
563.43225	48.4
564.43677	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	564.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.7
57.03444	6.3
61.02948	3.1
67.05495	7.2
71.05001	64.5
71.29012	2.8
75.04485	5.3
79.05474	7.0
81.03442	6.5
81.07053	6.0
83.04984	34.8
85.02907	19.2
87.04466	9.6
91.05487	8.3
93.07035	8.0
95.04994	5.0
95.08622	8.1
97.06592	3.8
101.02439	3.1
105.07025	6.5
107.08629	3.9
111.04449	66.7
113.06027	24.7
115.03913	5.4
117.05486	14.3
119.08608	5.2
121.06503	7.5
121.10126	3.4
123.04432	3.1
129.05476	100.0
129.06915	4.1
131.08580	3.6
164.44489	3.1
167.07005	3.0
171.06520	33.8
189.07585	87.7
211.13351	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	564.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43769	6.3
56.97102	7.0
61.12026	6.6
63.83115	6.8
69.03411	31.9
69.56921	37.2
79.05482	11.3
81.07072	7.3
85.02945	6.2
91.05487	16.6
97.02908	83.4
103.05480	7.9
121.06502	33.9
137.05991	60.7
145.06551	7.4
151.03903	10.0
157.04982	32.7
161.06039	7.4
164.66579	7.3
167.07088	18.7
171.63762	6.9
181.04999	17.0
187.90445	6.6
217.07062	18.2
268.14020	7.9
303.05023	100.0
351.91867	6.8
409.12320	8.8
482.34622	7.6
564.20831	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	564.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
53.97866	0.3
55.01867	0.7
65.03933	0.5
67.05492	0.8
68.79915	0.4
69.07062	0.6
70.85935	1.0
77.03923	0.5
78.04704	3.1
79.05497	2.7
81.03406	0.6
81.07040	1.2
83.04974	0.5
89.03906	0.4
91.05485	6.5
93.07043	5.9
95.04965	2.9
95.08581	0.5
102.04665	0.6
103.05471	7.3
105.03426	0.6
105.04514	0.9
105.07028	1.5
106.04160	1.8
106.13480	0.4
107.04961	3.8
108.05283	0.4
115.05463	1.6
117.03386	0.5
117.07049	1.1
118.04192	0.9
119.04980	0.9
119.08602	0.6
120.05740	2.9
121.06509	23.4
122.06870	0.6
123.04439	6.3
124.05252	2.6
128.06252	1.2
129.07019	0.9
130.04100	0.5
131.04942	3.8
131.08569	0.6
132.05678	0.8
133.06479	0.7
133.10129	0.5
134.03651	0.5
136.07568	0.6
136.78355	0.4
137.05986	1.8
143.04921	0.9
144.05714	0.7
145.02873	0.9
145.06474	1.1
146.03636	0.5
147.04385	0.6
149.05975	0.9
151.03893	2.1
151.07603	0.5
152.04659	2.4
153.05466	0.9
155.04909	0.8
157.06497	0.9
158.03638	1.9
158.35321	0.5
160.05237	0.6
161.05988	1.1
167.07045	70.0
168.07431	1.8
170.03658	2.0
172.05206	1.2
173.05998	5.1
175.07637	0.7
176.04703	1.1
177.05589	1.8
177.06946	0.7
177.48975	0.4
179.08496	0.5
181.04977	0.9
183.04277	0.6
184.05060	0.5
185.05992	1.5
186.03073	0.8
187.07579	1.8
189.05374	0.6
189.07021	1.1
190.07726	1.0
191.07047	7.1
191.08621	1.5
192.07822	2.6
193.06549	0.5
194.07190	0.5
198.03165	1.5
200.90918	0.4
201.05469	20.5
202.05829	0.5
202.07747	0.5
203.06931	0.6
204.05714	0.5
205.06535	1.1
206.07103	0.5
207.06465	0.6
207.08142	1.0
208.08768	0.5
213.05472	27.7
214.05881	1.1
215.07043	1.8
216.04265	1.3
218.07227	2.8
219.08081	3.6
220.05203	0.5
220.08772	0.6
221.06013	2.1
221.09537	0.8
222.06750	0.8
229.07373	0.6
230.08141	1.9
231.06468	10.0
232.05156	0.8
232.07159	0.6
233.05968	1.1
234.06761	1.5
235.07593	3.3
236.08308	1.5
245.05940	0.8
246.06850	3.1
247.07571	5.2
248.08266	2.0
249.05487	3.0
249.09106	1.5
250.06273	1.9
251.06943	0.8
253.08493	0.7
255.15935	0.5
257.06027	1.5
260.04626	2.9
261.05502	1.4
261.09073	1.1
262.06293	1.3
263.07040	3.1
264.07828	6.1
265.08585	2.5
269.17422	0.7
273.05551	0.6
274.06186	2.8
275.07019	7.9
275.19849	0.5
276.07758	1.9
277.04947	5.1
277.08575	2.4
278.05566	0.7
278.09241	0.8
279.06491	0.9
279.10178	3.4
280.07263	0.7
281.07947	0.6
288.04089	2.4
289.04962	1.8
289.08542	1.4
290.05856	0.5
291.06686	2.0
291.09689	0.6
292.07288	8.7
292.10519	0.5
293.07892	2.3
294.08691	0.9
295.09665	1.2
302.05545	2.2
303.06537	15.2
304.07181	3.1
305.04419	3.8
305.08102	1.9
306.05414	0.5
306.08908	1.4
307.06339	0.4
307.09683	6.4
308.06985	0.5
308.10193	0.7
309.07635	1.7
309.11053	0.9
317.08221	1.1
319.06021	0.8
320.06708	11.9
321.07431	1.2
322.08322	0.8
323.09113	1.3
324.09982	1.4
325.10638	0.7
333.11124	1.4
334.07916	0.4
335.09134	42.3
336.09702	3.7
337.06891	1.3
337.10651	1.6
338.13934	2.6
339.12088	1.9
349.10623	1.0
349.23694	0.6
350.13940	0.9
351.12164	0.5
352.09439	2.0
355.11758	3.1
367.11765	100.0
368.12094	6.0
385.12704	1.7
440.14890	1.8
472.17639	5.5
492.20096	2.8
504.20206	3.9
522.21161	1.4
564.22504	4.8
565.20618	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	564.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
51.96518	0.8
53.03947	4.0
55.01904	0.7
65.03935	0.9
68.15856	0.6
69.03448	1.0
77.03951	1.6
78.04713	1.3
79.05068	1.2
79.05500	18.9
80.05826	0.7
81.03407	1.6
81.07059	1.6
91.05479	10.9
93.07051	11.2
94.04200	1.6
95.04974	6.3
101.89758	0.7
102.89242	0.7
103.05474	8.1
105.04516	2.7
105.07012	1.3
106.04187	1.2
107.04959	50.8
108.05270	1.1
109.01102	0.6
109.06530	0.8
112.36434	0.6
115.05450	2.8
116.05988	0.7
117.07047	0.6
119.04945	2.0
121.06509	57.0
122.03672	1.9
122.06824	1.1
123.04424	2.8
124.05199	9.0
125.05997	5.1
129.06949	0.7
131.04948	2.3
132.05734	1.0
133.02856	1.8
133.06497	1.1
135.04436	0.8
136.07597	1.0
137.05983	6.8
138.09143	1.1
143.04941	0.9
144.05695	2.9
145.06451	1.3
146.03668	0.7
147.08032	0.7
149.06004	1.7
151.03911	1.8
151.07523	1.4
152.04628	3.6
153.05487	0.9
160.05202	7.7
161.05956	4.9
163.07576	1.0
164.07053	2.8
165.05463	1.4
167.07043	100.0
168.07442	3.3
172.05182	3.5
173.05959	1.1
175.07555	12.5
177.05435	1.3
181.04922	2.0
187.06018	1.3
187.07552	12.8
188.04710	1.1
188.07985	0.8
189.06978	0.7
191.07010	2.9
192.07780	1.2
197.05931	0.7
201.05377	12.0
204.10257	1.0
205.06580	1.0
205.08582	0.7
206.07233	1.0
212.07007	1.1
213.05492	1.3
215.07373	4.0
216.04170	2.4
217.06642	0.8
218.07263	1.0
219.08131	2.7
220.08241	0.8
221.05936	0.8
221.09718	1.3
223.07413	0.9
229.04924	0.8
230.08139	12.7
231.06516	54.4
232.06865	2.8
233.06007	1.2
234.06763	2.3
235.07527	1.5
236.08342	1.4
237.09079	1.5
246.06795	1.2
247.07536	4.5
248.08292	2.8
249.05380	0.8
249.09190	3.9
250.06178	1.5
251.06960	3.6
252.07765	1.4
253.08525	1.0
261.09085	1.0
262.06317	1.6
263.07050	3.4
263.10587	1.1
264.07770	3.7
264.12381	0.9
265.08527	2.7
266.09332	2.3
269.07990	0.8
275.06964	1.6
276.07861	1.4
277.08591	5.1
278.05905	0.8
278.09280	1.9
279.06430	2.6
279.10168	2.3
280.07285	0.8
281.07947	1.2
281.11630	2.3
283.09558	1.3
291.06519	0.9
291.10156	1.0
292.07309	4.0
292.10150	0.8
293.08051	5.4
294.08786	1.9
295.09683	1.0
298.08347	2.2
301.10693	0.9
306.08850	1.0
307.09647	7.0
308.10345	1.4
309.07550	2.7
309.11209	4.7
311.09094	1.6
313.10687	7.6
321.07690	2.8
323.09222	1.4
324.09802	1.6
325.10684	1.6
326.07889	1.3
326.11487	15.5
327.11774	1.6
335.09189	4.6
337.06903	1.2
337.10736	1.0
338.13919	3.8
339.12253	5.8
341.13828	13.1
350.13879	16.7
351.13995	1.0
352.09360	2.0
353.10260	1.7
367.11758	19.7
368.12091	1.8
385.12830	45.9
386.13217	5.0
504.20166	30.0
505.20279	3.0
522.20972	3.3
532.17145	0.9
564.21790	1.4
565.20471	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	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.5
57.03456	14.5
57.94746	10.1
61.02921	11.1
67.05502	58.8
69.07077	18.2
69.19175	68.8
69.44265	11.9
79.05503	43.0
81.03394	13.9
81.07067	32.2
83.08643	29.0
85.02924	11.3
91.05484	40.7
93.07057	25.7
94.69469	10.1
95.04964	53.3
95.08620	33.3
96.41470	10.5
97.10166	10.9
100.10953	11.9
103.00007	9.8
104.13948	11.3
105.07040	38.5
107.04967	12.9
107.08620	45.4
109.10181	19.1
119.08570	28.0
125.09590	13.3
129.07050	12.6
131.08585	19.7
132.45216	9.8
133.10191	17.6
147.11754	16.8
149.09613	15.8
159.11694	24.9
163.11249	19.1
171.02716	10.0
223.13316	27.6
275.20056	46.4
293.21161	24.4
349.23758	15.2
351.44604	12.9
367.24838	100.0
564.38770	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
53.20406	2.6
55.01887	3.2
55.05514	12.8
57.03436	4.2
61.02920	3.7
67.05508	27.4
69.07072	19.4
70.27301	8.1
73.02925	2.8
73.65975	2.7
79.05490	22.5
81.03436	4.7
81.07057	75.2
81.07525	4.3
83.08630	12.4
85.02932	4.2
86.82244	2.5
91.05487	24.6
93.07046	22.7
95.04954	6.3
95.08627	13.7
97.06549	4.1
102.69928	2.4
105.07045	18.7
107.04973	9.3
107.08598	12.9
109.06534	22.0
109.10169	7.6
111.08080	3.2
117.07014	8.1
119.08562	16.5
121.06505	6.3
121.10180	8.1
122.01166	2.6
123.08058	5.9
123.11697	5.6
131.08566	7.2
133.10127	16.6
135.11725	5.4
145.10112	6.1
147.11679	13.6
149.09650	7.6
149.13275	5.2
157.10214	2.9
159.11729	5.8
161.13322	3.1
163.11195	3.7
165.12779	5.5
167.07062	16.2
177.12807	3.4
181.04997	4.9
257.18942	4.1
275.20038	35.5
293.21085	5.8
329.10208	3.0
349.23761	72.0
350.24094	8.0
356.12500	2.6
367.24805	100.0
368.25180	8.7
393.30951	2.4
565.20715	4.3
578.99402	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15152	2.1
54.48016	1.8
55.01866	4.7
55.05523	13.5
57.03443	5.9
58.67538	1.7
61.02929	4.5
67.05511	27.2
69.03419	2.6
69.07077	12.0
75.06920	2.0
79.05495	23.0
81.03431	5.5
81.07061	66.8
83.04984	6.5
83.08617	10.8
91.05499	20.7
93.07042	17.5
95.04974	10.3
95.08622	21.6
95.52595	1.6
97.02864	2.2
97.06530	6.2
98.22641	5.3
105.07032	26.4
107.04953	7.4
107.08582	13.4
109.06525	25.6
109.10188	8.1
111.08105	2.4
117.07047	5.4
119.08590	17.0
121.06545	4.9
121.10122	8.4
123.08060	7.1
123.11726	4.4
125.09703	2.3
127.03925	2.3
129.07028	4.6
131.08603	8.8
133.10141	19.6
135.08076	4.2
135.11681	4.8
137.09619	3.1
143.08664	3.0
143.87633	1.9
145.10127	9.2
147.11703	14.8
149.09648	7.2
149.13246	5.5
151.11246	3.9
155.08643	2.2
157.10168	3.9
159.11708	6.8
161.09674	3.7
161.13300	3.1
163.11205	6.9
165.12785	2.8
171.11716	2.5
173.11795	2.0
173.13246	4.7
175.11278	2.1
177.12801	3.1
191.14229	2.0
239.18021	3.0
247.20667	4.9
257.19080	4.2
262.27509	1.8
275.20093	63.9
276.20554	3.1
293.21091	13.1
349.23758	100.0
350.24081	5.7
367.24820	71.7
368.24997	3.9
419.24329	4.2
551.05988	2.1
565.30048	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.2
55.05508	26.3
57.03437	8.4
60.67511	7.1
67.05500	28.1
69.07075	12.0
69.10249	40.5
71.04958	7.8
71.49425	7.3
79.05502	34.9
81.03417	23.5
81.07062	26.1
83.04986	9.7
83.08620	24.7
85.02898	12.6
91.05492	24.3
93.07048	26.9
95.04977	51.9
95.08582	14.9
95.73431	5.8
97.06499	8.2
97.10179	13.6
97.18085	6.1
98.22601	10.0
105.07049	23.2
107.04942	11.1
107.08611	21.8
109.10171	20.7
111.08098	7.1
119.08581	14.8
121.06527	27.0
121.10123	11.3
123.04429	8.5
125.09602	9.0
131.08577	8.6
133.10150	18.9
135.11676	9.4
145.10120	17.9
147.11678	10.2
149.09688	15.3
157.10143	6.8
163.11198	17.6
167.07040	57.6
189.11168	10.3
191.07127	9.7
193.12270	12.4
196.14658	6.1
201.05478	19.0
211.13261	13.3
213.05519	25.7
223.13278	21.1
229.14415	11.0
231.06540	20.8
252.74727	6.6
270.88867	6.4
275.07013	8.1
275.20190	41.1
292.07190	9.5
293.21152	37.0
303.06552	13.8
307.09714	9.4
320.06747	15.8
332.60153	7.0
335.09122	37.1
349.23825	10.0
352.09399	7.5
367.11694	100.0
367.24844	63.6
547.26721	10.4
564.28760	21.2
565.28021	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38034	0.5
62.26465	0.5
64.35955	0.4
71.04998	0.5
71.96027	0.5
73.02900	0.6
73.06550	1.6
87.04472	10.4
89.06035	100.0
90.06374	1.0
107.07089	2.8
117.09140	0.6
131.07028	3.4
133.08609	59.7
134.08955	1.4
137.05968	0.5
139.03929	1.1
151.03926	0.5
153.01836	1.2
175.09697	2.2
177.11230	20.7
178.11638	0.5
197.35646	0.5
219.12158	0.6
221.13890	4.1
229.37665	0.6
239.14938	0.9
265.16324	0.8
283.17560	0.7
327.20087	0.8
342.00345	0.8
359.00897	0.7
360.00919	0.9
377.01938	5.2
378.02148	8.3
379.02139	0.9
395.02844	1.9
396.03021	2.9
401.03802	0.6
402.02148	0.6
420.03192	0.7
475.30890	0.9
504.05359	1.3
521.05670	0.5
522.06274	2.3
523.06079	0.9
547.33521	4.5
566.65955	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	564.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.05509	26.3
56.19707	3.0
57.03434	17.6
57.07078	7.9
65.03940	5.9
67.05510	100.0
68.05862	3.5
69.03929	15.2
69.04356	10.3
69.07076	33.0
71.04990	9.1
79.05497	59.4
81.07059	97.7
81.37386	3.3
82.03088	3.0
82.07385	4.3
83.04987	8.2
83.08604	16.6
91.05476	36.5
93.07051	83.3
95.04974	6.0
95.08608	50.8
97.06535	9.8
97.10184	4.5
98.44852	3.3
100.78262	3.2
105.07038	16.3
107.08597	46.6
108.95619	3.2
109.10146	17.4
111.08075	4.3
117.07016	8.7
119.08587	12.7
121.10136	33.8
123.11726	6.3
125.75851	2.8
131.08575	12.7
133.10159	15.0
135.11652	15.4
145.10130	9.2
147.11621	7.9
149.13246	34.9
159.11714	15.2
161.13200	3.8
171.11751	4.9
173.13202	5.4
177.12773	15.5
195.13808	13.6
219.13846	4.9
261.22174	13.2
269.17462	75.7
270.17813	4.6
310.30832	4.8
335.25830	87.9
336.26221	5.3
404.07202	3.3
529.38904	100.0
530.39496	15.9
547.40186	3.4
565.40125	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
53.86152	3.3
54.39807	3.1
55.01875	4.5
55.05511	22.1
57.03447	14.5
57.07052	5.2
59.05010	5.2
59.13194	2.6
65.03933	4.0
67.05511	83.0
68.98744	24.6
69.07075	31.8
71.05009	5.1
79.05502	44.0
81.03416	3.4
81.07060	100.0
83.04984	8.3
83.08625	14.2
85.06548	5.4
91.05486	42.9
93.07053	83.8
95.04956	7.8
95.08619	47.9
97.06521	12.8
99.85517	3.2
105.07043	27.5
107.08602	44.8
108.08908	3.0
109.06490	4.3
109.10165	19.4
109.51705	2.7
111.08068	7.1
117.07047	16.0
119.08582	20.8
120.99658	2.7
121.06478	3.1
121.10149	35.5
123.08108	6.5
123.11691	4.7
129.07068	3.2
131.08585	18.4
133.10130	18.8
135.08075	3.4
135.11714	15.8
137.09622	4.6
142.07805	3.6
143.08565	8.5
145.10133	13.8
147.08067	6.3
147.11684	9.9
149.13242	30.7
150.13620	3.7
151.07565	3.5
151.11137	3.3
156.09311	4.0
157.10138	13.6
159.11711	17.9
161.13335	3.7
163.14914	3.4
165.09088	13.1
169.10207	6.5
171.11745	6.2
173.13214	4.1
177.12779	6.6
179.08495	4.0
183.11678	5.5
185.13306	8.4
193.10237	4.6
194.10974	3.5
195.11903	4.7
195.13838	10.9
197.13284	5.6
203.14310	6.9
209.13235	8.6
221.13429	5.6
221.15361	26.3
253.33224	3.0
261.22202	8.8
269.17468	59.9
319.62265	3.3
335.25818	41.8
385.28915	5.1
406.28268	3.1
529.38928	54.1
530.39099	10.3
565.40381	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77970	1.5
69.37354	1.9
80.05717	1.4
91.05492	2.2
98.22540	3.7
115.05422	1.8
117.06988	2.2
118.06558	23.9
130.06523	1.5
132.08104	4.3
138.23152	1.5
142.06519	2.4
143.07294	2.4
144.08064	13.6
146.06012	57.7
159.09221	5.8
170.06071	5.6
188.07062	100.0
188.46703	1.7
189.07405	3.6
205.09738	35.4
229.25037	1.5
254.67903	1.6
260.66357	1.7
368.48605	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	566.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39781	0.4
53.03966	0.4
53.22468	0.5
57.51437	0.4
61.02927	0.5
65.03964	0.5
67.05508	0.5
69.03426	1.0
71.30591	0.6
81.03424	1.3
85.02911	3.5
91.05482	6.2
93.07047	0.6
97.02883	1.7
103.05476	1.3
105.06995	0.5
115.05434	3.9
116.06230	3.4
117.07043	3.0
119.08556	0.8
121.06474	0.9
127.03876	1.4
128.06219	2.1
129.07002	12.7
129.51978	0.4
131.04947	2.1
131.08565	20.1
132.08891	1.1
137.05978	2.2
139.03912	2.0
140.04225	0.7
141.06987	5.7
144.05696	15.1
145.04990	1.0
145.06479	6.9
151.88498	0.5
153.01854	1.7
153.05461	0.6
155.04906	0.9
155.06035	1.3
157.06519	4.0
159.08052	30.1
160.08357	1.3
161.05959	1.0
167.07037	1.5
168.07385	0.5
169.06403	0.6
169.07628	4.0
172.05200	2.7
173.05972	9.6
175.07545	2.1
177.05423	1.1
180.08582	0.7
185.05962	0.6
186.06691	0.6
187.07544	22.0
188.08020	1.2
189.05464	1.0
190.06261	0.7
191.07108	1.1
201.05534	0.5
203.06984	1.0
204.07845	1.9
205.04709	1.7
205.08522	3.8
207.10208	1.0
209.08173	0.5
217.08553	1.2
219.10172	8.9
231.06311	0.8
233.07916	0.7
245.07982	0.6
263.09149	100.0
264.09451	4.7
387.14401	0.9
425.14600	0.6
566.21088	1.1
567.18182	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	566.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
53.99901	3.0
55.01856	3.4
56.76971	3.2
61.02935	4.2
67.05522	3.2
69.03435	7.2
69.36906	13.5
71.05005	9.3
78.83829	2.6
79.05495	12.4
81.03427	8.3
81.07057	24.2
85.02895	19.6
86.09750	4.5
86.82441	2.9
91.05489	18.2
93.07055	24.9
95.04951	3.2
95.08612	4.7
97.02886	19.2
97.73991	2.8
99.04450	36.1
105.07018	58.4
105.07671	4.3
107.08608	16.6
109.06511	7.1
111.08086	8.6
113.06032	3.4
119.08580	5.6
121.06499	5.3
123.04406	3.0
123.08121	4.3
127.03939	5.6
128.06206	5.0
133.06516	7.9
133.10129	72.7
135.11656	4.9
136.09286	2.7
137.06001	7.3
143.08594	8.8
145.04959	6.8
145.10197	4.8
146.07352	3.6
147.08073	3.6
151.07635	6.0
151.11180	6.0
153.01932	3.8
161.09618	87.2
163.11192	20.1
171.08127	3.4
179.10657	36.4
189.09134	32.1
207.10205	22.3
225.11217	100.0
226.11533	5.3
376.99442	3.1
383.16214	3.0
384.57312	3.1
422.97089	2.9
565.45062	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14221	1.7
53.03929	2.6
54.33963	1.5
55.01869	2.2
55.05514	1.7
55.83171	1.6
57.03458	2.7
64.32561	1.8
67.05508	2.5
69.03423	8.1
70.06576	2.8
70.55463	4.6
71.04980	10.0
79.05501	8.3
81.03388	2.3
81.07056	20.0
85.02903	13.8
91.05482	13.5
93.07050	20.4
95.04977	2.5
95.08603	3.1
97.02882	16.4
99.04453	30.5
105.07028	43.0
107.04932	4.4
107.08596	14.3
109.06528	5.7
111.08085	7.3
119.04906	2.3
119.08615	4.0
120.08109	2.1
121.06473	5.0
127.03930	3.9
128.06235	4.1
131.08603	2.1
133.06482	6.7
133.10133	51.8
135.86021	1.9
137.05943	7.0
143.08604	8.5
145.04950	5.0
145.10092	2.8
146.07274	4.1
151.07536	4.4
151.11134	4.3
153.01881	1.7
156.75758	1.8
161.09628	58.4
163.11183	19.8
165.09244	1.9
171.08066	3.6
179.10677	31.4
189.09117	28.1
207.10159	22.7
225.11215	100.0
226.11586	3.3
288.86621	2.1
342.65567	2.0
372.05060	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	566.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
67.05508	2.0
69.03445	2.8
69.07084	1.1
69.64872	4.3
74.71917	1.0
79.01868	1.6
81.03428	7.0
83.08625	1.4
85.02911	3.2
86.06086	1.4
86.09708	6.3
91.05494	2.1
95.08637	1.8
97.02893	5.2
98.23334	1.4
107.01334	1.6
109.02866	6.1
109.10181	1.4
125.00002	3.7
125.02388	2.9
127.03954	8.2
143.03386	5.8
145.04945	1.5
151.07584	4.3
153.01837	100.0
154.02177	2.3
159.11723	0.9
171.02901	12.0
184.07323	15.4
297.03244	1.3
297.05994	7.4
315.07150	8.4
342.84247	1.1
369.10876	2.5
369.22815	1.1
566.26074	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	566.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.8
57.03411	24.8
57.07072	17.1
67.05498	78.9
69.07076	27.0
71.31483	31.0
79.05502	43.1
81.07069	100.0
83.08665	18.3
83.23965	17.1
91.05476	30.9
93.07024	57.4
95.05025	20.6
95.08623	35.7
105.07047	23.2
107.08611	46.1
114.71628	15.6
124.66386	14.7
135.11682	15.7
159.11668	16.0
249.26332	15.7
265.19345	19.2
268.93680	17.3
269.17545	49.7
280.08945	18.8
282.27768	26.8
310.31152	20.1
337.27481	48.3
531.40295	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03938	1.9
55.01872	0.8
56.05023	2.1
57.03439	1.1
60.04514	1.4
69.03458	0.5
69.86110	0.5
70.02589	0.9
70.02957	13.4
70.06590	0.8
71.06117	0.5
72.04494	0.6
72.68350	0.5
73.69482	0.6
74.02435	1.7
74.06068	0.6
76.04015	4.8
80.05003	2.6
81.03434	0.7
83.06143	0.6
84.04508	5.6
86.00665	0.9
86.09724	1.1
88.03989	1.9
91.05489	7.0
93.07059	10.7
95.04960	2.6
96.87711	0.5
97.01099	1.0
97.02872	0.9
98.06069	6.9
99.05585	7.2
99.43658	0.6
100.02180	0.7
103.05505	6.9
105.04556	0.9
107.04966	0.9
107.06086	0.8
108.04477	3.7
109.02844	0.7
109.07668	1.0
110.06060	1.1
112.07558	0.9
113.48658	0.6
116.03453	3.2
117.06612	1.0
121.06511	100.0
122.06841	2.8
123.06802	0.7
124.02177	0.7
125.07111	2.6
127.05025	1.6
130.05002	2.6
135.05522	1.3
138.03740	2.3
138.09120	1.8
140.01604	0.8
140.05367	0.8
140.07076	14.1
142.03227	4.1
144.06549	5.7
145.06085	37.4
153.06610	1.3
154.08690	0.6
156.04781	15.4
157.03209	0.9
162.02225	0.7
165.04829	4.2
166.03223	4.4
168.04799	1.0
169.06163	1.9
169.09741	2.0
171.07712	1.5
174.05852	2.1
181.06059	1.4
183.05873	0.8
184.04301	1.0
194.02826	0.8
194.11807	1.4
198.05855	0.6
199.07114	1.6
208.06050	0.7
216.06613	0.7
222.06973	1.3
223.05362	1.8
228.10197	7.9
231.08916	0.6
238.06924	0.7
241.06409	0.7
243.12621	1.5
245.06088	2.9
250.05382	1.2
257.07645	1.1
260.12836	19.5
261.13269	1.0
262.08984	7.5
268.07544	7.4
269.05914	7.1
274.10376	2.1
276.10529	8.4
278.08594	1.8
286.08649	1.1
287.07062	2.2
294.11600	29.7
295.12082	0.7
301.08597	1.7
303.11758	0.9
340.09888	0.7
369.12726	3.2
394.42645	0.6
397.12024	0.9
406.14285	13.4
407.14578	0.9
415.12894	2.6
430.12778	4.4
438.17169	0.8
472.15390	1.6
474.16766	1.3
518.15973	0.8
535.18524	3.9
549.20074	7.5
550.21136	0.7
567.21204	32.9
568.21478	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	567.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99116	0.5
57.03430	0.8
67.05531	1.3
69.07066	1.1
70.92461	0.8
71.05006	0.9
79.05507	1.6
81.03429	2.0
81.07062	1.5
83.08627	0.6
85.02917	1.8
91.05499	2.1
93.07046	1.4
95.04971	1.0
102.22446	0.5
105.07040	1.2
107.08624	0.8
119.08599	1.6
121.10145	1.1
131.08582	1.2
133.10205	0.7
157.10173	0.8
175.11206	0.6
212.53539	0.5
251.12755	1.1
283.15170	11.1
307.15323	1.0
339.17825	5.6
567.31433	100.0
568.31635	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	568.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.5
60.46239	3.4
63.17670	2.5
65.03932	6.0
69.00151	4.7
69.00491	26.4
69.03424	10.8
71.04977	3.3
73.02904	2.9
78.85087	2.8
79.05496	4.0
80.06464	2.6
81.03424	17.7
81.07037	2.9
81.35145	2.9
85.02905	36.9
86.09713	8.3
91.05483	100.0
96.57468	3.1
97.02889	29.8
99.04459	23.8
100.11266	4.1
103.03960	33.6
105.03396	37.9
105.07058	4.2
109.02883	18.6
111.32365	3.1
120.04427	3.4
121.06501	7.1
125.00007	4.6
127.03923	52.9
136.07539	5.2
145.02747	2.9
145.04948	29.1
149.02406	4.3
163.06033	7.4
184.07376	18.1
187.06032	3.0
191.03391	5.4
227.03383	7.1
237.10393	3.6
245.04488	10.2
249.07581	6.8
263.05713	5.1
265.09848	3.9
269.08090	12.3
276.77902	2.8
279.10870	3.3
293.08359	3.5
303.04959	51.7
311.09467	3.8
311.13898	4.0
317.07864	4.2
335.09058	20.8
339.13477	11.3
353.10095	7.9
354.12112	3.0
367.12842	6.8
518.19183	19.9
536.20319	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
61.02929	3.6
67.05512	7.2
69.03439	7.9
69.13671	15.8
70.06596	6.6
71.04996	4.0
76.06237	1.9
79.05492	12.0
81.03418	4.9
81.07043	3.6
85.02908	27.1
86.09709	3.7
91.05502	5.4
93.07053	28.6
95.04992	3.1
95.08646	2.1
97.02889	11.8
97.06548	4.7
98.23367	4.4
99.04460	25.4
105.07050	24.5
107.08592	52.8
108.08939	2.2
109.02893	5.3
109.06486	2.8
110.07138	2.5
111.08084	3.8
115.43843	2.2
117.07045	3.4
119.08566	10.6
121.06515	10.6
121.10142	44.9
127.03940	9.6
130.05940	2.0
130.59862	1.9
131.08585	5.0
135.08060	7.2
135.11731	12.6
145.04968	10.6
145.10110	34.6
147.11664	3.3
149.06042	3.0
149.09633	9.8
158.07300	2.6
161.09508	2.6
162.07620	2.8
163.06100	3.1
163.11183	82.3
173.09677	9.1
180.08716	2.8
181.12265	19.8
189.76920	2.2
191.10670	99.3
192.11057	6.0
209.11723	47.8
209.13548	3.0
227.12788	100.0
228.13049	5.7
317.13828	3.3
335.14838	2.5
353.15884	3.5
355.08652	2.0
580.11896	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16564	1.7
53.03945	5.7
55.05522	11.0
57.07077	6.9
65.03941	3.2
67.05499	13.1
67.97916	1.8
69.07068	11.3
69.09352	4.4
69.09754	10.5
77.03941	2.3
79.05495	21.6
80.06284	4.4
81.07065	31.0
82.26064	2.0
83.04980	2.3
83.08631	4.1
85.06552	4.8
90.84217	1.5
91.05492	37.8
92.06281	2.7
93.07059	47.8
94.07829	2.3
95.04981	34.8
95.08609	28.4
97.06535	2.5
98.24725	1.8
101.12473	1.8
103.05464	4.2
105.07040	77.9
106.07877	3.2
107.08605	42.7
109.06515	3.1
109.10152	19.6
115.05479	6.6
116.06255	2.5
117.07034	22.2
118.07845	2.9
119.04980	1.8
119.08591	100.0
120.09368	7.4
121.06512	1.7
121.10168	25.7
123.08089	15.8
123.11717	6.2
125.09666	1.9
128.06268	8.6
129.07019	16.4
130.07811	8.0
131.02960	1.7
131.08585	39.4
132.09364	13.2
133.09399	1.0
133.10141	47.2
134.10930	6.8
135.08084	5.9
135.11734	18.6
137.09636	7.9
138.10402	8.4
141.07013	6.8
142.07806	17.0
143.08582	37.5
144.09377	16.3
145.10135	93.8
146.10878	5.5
147.08054	2.4
147.11708	24.0
149.09654	6.2
149.13280	5.8
153.07072	2.4
154.07756	2.2
155.08531	14.5
156.09331	15.5
157.10150	44.2
158.10965	11.1
159.08154	2.6
159.11708	37.4
160.12425	4.9
161.09622	5.2
161.13289	9.1
163.11191	1.8
165.07135	3.6
166.07826	2.3
167.06413	2.0
167.08569	6.2
168.09369	6.3
169.10161	22.6
169.55847	1.7
170.10898	6.7
171.11690	35.3
172.12524	9.4
173.13284	28.2
174.13951	3.3
175.14825	24.6
177.12756	6.5
179.08604	8.0
180.09352	5.4
181.10167	17.1
182.10971	8.7
183.11705	26.1
184.12421	5.4
185.13258	26.8
186.14087	10.3
187.14832	14.4
188.15323	1.9
189.12776	5.5
191.14334	10.8
192.09373	3.0
192.15034	3.9
193.10127	6.6
193.15814	1.8
194.10965	7.9
195.11732	15.8
196.12465	6.8
197.13280	28.8
198.13991	10.5
199.14825	13.6
200.15497	2.4
201.12750	5.3
201.16400	9.6
203.08638	2.4
203.14325	3.4
207.11725	7.5
208.12563	2.4
209.13297	25.9
210.14023	4.3
211.14812	21.7
213.12428	1.8
213.16452	6.5
215.14355	2.2
217.15912	6.2
219.17456	2.6
220.12614	2.2
221.13289	9.1
222.13940	2.8
223.14842	13.5
224.15607	7.0
225.16422	7.5
226.17207	2.8
227.14362	2.2
227.17899	3.0
230.16882	1.9
231.17426	4.3
234.14000	2.3
235.14816	5.4
237.16412	9.5
239.17940	9.6
241.19571	4.8
247.14922	3.7
249.16376	5.0
251.17885	5.3
253.19669	2.7
257.19067	2.7
259.20593	2.6
261.16354	2.2
263.18060	6.5
265.19531	7.3
267.17566	2.3
267.21005	3.0
271.20581	2.8
275.17935	4.1
277.19516	4.9
279.21100	3.5
281.19043	2.2
283.20605	3.8
285.22269	3.6
297.22147	3.6
305.22537	3.3
309.22055	2.4
323.23755	12.4
337.25430	3.4
338.22311	3.3
338.26099	47.3
339.26483	4.9
349.25186	3.4
351.26776	2.8
397.46246	2.0
415.29840	2.0
420.30246	3.1
430.32410	16.5
431.32718	2.0
458.34949	2.5
471.65701	1.9
476.36560	22.3
568.42798	29.0
568.56635	4.8
569.42670	2.4
586.02429	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	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03939	5.1
53.30363	1.4
55.01867	2.2
55.05515	13.1
56.32185	1.4
57.07082	10.6
58.81329	1.5
65.03930	2.4
67.05512	22.1
69.07071	14.1
69.20068	13.1
70.06586	1.7
79.05489	26.4
80.06268	3.5
81.07059	37.1
83.04971	3.6
83.08612	5.8
85.06535	3.8
85.10139	1.7
88.07636	4.1
91.05485	54.2
92.06274	3.6
93.05621	1.4
93.07050	55.0
93.21554	1.7
95.04973	48.0
95.08606	29.6
98.23462	1.5
102.09217	2.0
103.05482	4.2
105.04558	2.1
105.07034	89.6
106.07851	4.0
107.08599	51.1
109.06498	6.4
109.10154	21.2
111.08067	2.0
115.05436	5.1
116.06241	2.4
117.07024	29.0
118.07742	4.0
119.08586	100.0
120.09359	6.1
121.06483	3.9
121.10150	29.1
123.08076	14.5
123.11690	4.0
125.09671	2.3
128.06226	11.9
129.07011	23.2
130.07796	12.4
131.08571	55.8
132.09431	9.6
133.10127	50.3
134.10913	5.6
135.08032	4.4
135.11694	17.2
137.09619	4.1
138.10368	4.9
141.07011	8.9
142.07784	19.5
143.08569	46.7
144.09367	13.4
145.10124	81.9
145.64122	1.7
146.10713	4.9
147.08029	3.2
147.11690	26.4
149.09595	4.4
149.13260	4.5
151.11154	3.4
153.07024	3.4
154.07822	3.5
155.08565	16.1
156.09325	17.6
157.10136	47.2
158.10922	13.2
159.11697	41.1
160.12404	2.8
161.09624	8.7
161.13214	8.1
163.11124	3.4
165.07014	6.5
166.07779	3.2
167.08571	6.3
168.09270	7.9
169.10127	33.1
170.10939	12.2
171.11703	32.1
172.12410	7.1
173.13251	24.6
175.11279	2.8
175.14839	16.3
177.12714	5.7
179.08525	9.8
180.09311	6.6
181.10101	14.9
182.10898	9.0
183.11681	23.5
184.12392	2.8
185.13258	25.2
186.14011	7.8
187.14830	10.4
189.12753	4.7
191.14270	8.6
192.09331	3.6
193.10117	8.2
194.10860	8.3
195.11676	19.5
196.12447	7.5
197.13272	23.8
198.14090	5.5
199.14821	12.5
201.16321	5.1
203.14304	3.9
205.10159	2.8
206.11014	3.4
207.11655	13.3
208.12463	4.9
209.13261	24.4
210.13972	4.7
211.14821	16.4
212.15498	3.4
213.16437	5.6
217.15878	6.2
219.11649	1.8
219.17412	2.2
220.12343	2.5
221.13235	7.4
222.13840	1.9
223.14810	10.1
224.15550	4.3
225.16315	6.9
230.16818	2.3
231.17354	2.2
233.13159	3.4
235.14821	5.1
237.16342	8.6
239.17969	5.4
247.14941	2.3
249.16473	4.0
251.18001	5.2
253.19620	3.2
258.56546	1.7
259.20532	3.3
261.16501	2.1
263.18039	3.0
264.18658	2.3
265.19421	4.1
267.20929	2.6
275.17963	2.2
277.19540	2.4
279.20905	1.7
283.20535	3.1
283.26138	2.2
284.29495	5.6
289.19791	2.0
297.22095	2.4
299.47638	1.7
305.22366	2.4
311.29391	6.2
323.23672	6.1
338.26041	28.0
339.26605	2.4
349.25333	2.4
415.30026	3.3
430.32248	10.4
476.36575	7.1
554.81268	1.9
568.42755	18.6
568.56384	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.9
55.05515	12.1
57.07073	10.8
65.03957	3.9
67.05496	20.2
69.07073	14.9
71.08638	5.2
71.30733	2.6
79.05498	23.6
80.06287	3.2
80.30703	2.2
81.07064	34.2
83.04988	2.5
83.08627	9.8
85.06551	4.8
88.07631	4.5
91.05484	41.9
93.07044	51.9
95.04964	36.8
95.08611	26.7
97.10172	4.0
98.23487	3.2
105.07037	82.2
107.08601	41.2
109.06555	4.3
109.10153	19.1
115.05450	6.6
117.07026	23.3
119.06066	2.6
119.08583	100.0
120.09357	7.1
121.06480	2.6
121.10143	28.4
123.08083	17.5
123.11726	6.7
128.06210	9.6
129.07025	17.2
130.07771	6.3
131.08580	43.2
132.09349	9.2
133.10141	59.2
134.10930	7.6
135.08087	5.8
135.11711	18.0
137.09625	3.0
138.10356	4.2
141.07001	8.8
142.07816	16.0
142.08774	2.2
143.08572	48.3
144.09344	16.8
145.10132	87.7
146.10849	4.2
147.08128	3.2
147.11703	23.1
149.09630	3.3
154.07968	2.3
155.08575	15.1
156.09372	15.9
157.10135	42.1
158.10901	10.3
159.11693	34.8
160.12488	3.3
161.09669	7.1
161.13287	7.6
163.11140	3.5
165.06982	4.4
167.08575	9.4
168.09338	4.9
169.10155	26.0
170.10919	7.7
171.11688	32.3
172.12453	7.9
173.13263	29.3
175.11237	3.4
175.14838	18.9
177.12813	3.9
179.08595	9.4
180.09381	4.3
181.10132	14.8
182.10956	6.8
183.11705	25.2
184.12509	4.2
185.13298	20.3
186.14003	3.9
187.14844	12.1
189.12788	3.8
191.14337	11.3
193.10101	7.0
194.10953	6.2
195.11670	17.5
196.12427	6.0
197.13228	22.5
198.14052	3.4
199.14847	9.9
201.16405	7.1
202.05313	2.6
206.10953	4.4
207.11734	10.2
208.12502	4.8
209.13260	22.2
210.13936	3.8
211.14819	17.3
213.16336	3.6
217.15895	4.1
219.11768	4.9
220.12471	2.7
221.13330	6.7
222.13855	4.0
223.14833	9.9
224.15569	3.0
225.16364	6.1
227.14450	3.0
233.13306	3.5
235.14836	7.1
237.16374	7.1
239.18053	5.2
247.14911	4.6
249.16435	4.4
251.18040	3.1
259.20609	4.9
265.19644	2.6
283.26428	4.1
284.29553	3.8
305.22760	3.4
311.25894	2.6
311.29443	3.7
323.23700	5.1
333.43057	2.6
338.25992	30.0
339.26532	3.9
346.70294	2.7
374.74817	2.9
430.32147	12.1
468.49249	3.0
476.36337	12.1
568.42633	18.2
568.56445	15.0
569.44696	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	569.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.8
51.02379	1.2
53.03955	5.1
55.01870	1.0
56.11929	0.6
57.03432	0.6
68.99806	0.8
69.03432	1.8
71.35610	0.6
77.03910	1.3
79.05481	2.9
81.03428	2.4
85.02905	4.0
85.64895	0.6
91.05486	1.1
93.03373	0.6
95.04974	5.9
97.02898	1.9
105.03396	90.6
105.04544	2.8
105.07027	1.0
106.03736	2.0
109.02911	1.4
114.99403	0.6
121.02879	1.1
121.06510	1.1
123.04443	3.1
127.03926	2.3
137.02292	3.5
137.05965	2.2
139.03938	1.0
145.04948	1.4
151.03893	1.6
153.01836	5.6
161.05949	0.8
163.03883	0.9
165.01881	2.4
167.07048	1.4
183.02937	0.9
184.07349	1.5
201.05455	2.2
219.06526	1.0
229.04965	4.6
247.06105	0.8
249.07649	4.1
257.04428	3.2
267.08698	4.2
285.03931	1.5
303.04996	100.0
304.05417	4.7
315.04901	0.9
341.06747	0.9
345.05728	1.0
345.37653	0.7
369.05893	1.0
411.06949	1.0
464.61984	0.8
499.80624	0.7
569.17627	1.1
569.30164	0.8
570.75726	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	569.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
77.28460	0.5
80.36039	0.4
92.61013	0.5
105.07007	0.7
119.49915	0.5
120.04445	0.9
120.08072	0.7
123.00530	2.1
135.04407	0.8
141.01595	3.1
142.06284	5.1
143.12164	0.5
147.10612	0.5
160.03705	5.0
163.03941	4.2
163.71408	0.5
164.04208	1.5
174.05394	0.5
188.06850	3.9
202.05028	1.1
242.04233	3.9
242.07997	0.7
260.05301	18.0
261.05798	0.7
270.07346	4.3
271.35074	0.5
288.08426	13.6
302.06473	0.9
304.07864	0.9
306.40112	0.5
322.08920	4.0
389.11185	0.7
404.09375	1.1
407.12140	100.0
408.12607	5.0
422.10690	2.2
449.13083	1.0
551.16650	0.8
569.17395	51.0
569.24658	1.9
570.17743	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	569.2934
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
51.59554	0.2
57.38633	0.2
69.02219	0.5
69.02631	1.2
83.01114	0.4
88.85036	0.2
91.33792	0.2
95.01108	0.2
96.05830	0.1
98.22507	0.3
101.34807	0.2
184.03432	0.2
185.04291	0.6
186.96297	0.2
189.24832	0.2
201.03798	0.5
203.05293	1.1
239.65344	0.2
259.07993	1.8
274.95056	0.2
275.07559	0.2
331.09964	2.1
333.20459	0.4
345.11627	0.5
373.14893	0.2
387.16394	0.8
391.25430	0.2
407.24121	1.8
427.19394	0.2
441.21054	3.0
443.22778	1.0
471.21643	0.3
499.21570	0.9
499.89392	0.2
569.29352	100.0
570.29706	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	569.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93702	0.8
95.48430	0.8
138.44211	0.8
138.52823	0.9
143.80229	0.8
161.19263	0.8
161.51691	1.0
185.04198	1.7
213.41747	0.8
273.02597	0.9
331.09946	3.3
387.16589	1.0
407.23959	2.3
441.21204	3.7
479.25967	1.0
499.21191	1.7
569.29303	100.0
570.29614	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00801	0.4
57.05865	0.4
70.43823	0.8
77.25067	0.4
89.51461	0.3
91.05485	0.4
98.96216	0.4
105.07047	1.6
203.05388	0.9
259.07913	1.0
333.20517	0.4
351.20151	0.5
407.24185	1.6
569.29346	100.0
570.29773	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	570.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20668	3.6
61.45639	2.9
69.38131	15.0
85.02919	5.6
91.05484	25.4
95.04982	5.0
98.22684	5.9
103.05469	11.2
105.07027	8.3
109.06499	3.5
115.05424	4.7
119.04954	19.0
121.02860	4.8
121.06506	5.2
123.04488	4.8
131.04951	6.8
133.06476	11.6
137.05980	100.0
138.06342	5.7
142.86681	2.9
145.02832	5.9
145.06519	7.1
147.04446	31.6
149.05977	8.6
150.06779	9.7
151.07550	3.9
153.01811	11.3
157.06334	3.4
161.05992	26.8
162.06766	32.5
163.07481	4.0
173.05920	6.9
177.05484	10.4
179.07036	9.5
180.60432	3.0
189.77484	2.9
193.04950	5.4
196.09372	3.0
201.05492	30.8
202.06102	3.2
203.07080	3.4
204.04231	5.7
207.06607	4.7
219.06586	30.4
219.10132	20.7
224.25447	3.4
231.06564	5.6
233.05998	3.8
242.08150	4.6
249.07642	12.5
257.50220	3.5
262.06711	3.0
265.08600	6.8
277.08633	4.5
288.05875	2.9
293.08133	4.8
323.09027	16.9
325.10675	23.7
337.10623	8.7
343.11688	21.0
355.11905	18.7
403.16397	4.1
553.22162	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	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68347	1.6
85.02939	1.4
91.05482	1.3
101.21648	0.8
103.75657	0.8
112.28054	1.0
120.45391	0.9
128.06209	1.5
129.07022	5.7
131.04906	1.2
131.08586	5.5
141.06998	3.2
144.05728	1.3
157.06505	5.5
158.07292	3.0
159.04471	0.8
159.08060	6.7
161.09541	1.5
169.06511	3.4
170.07306	2.0
174.06763	17.0
175.07504	3.8
186.06775	3.2
187.07581	1.7
188.08374	1.1
189.09113	26.9
191.10672	1.8
201.09099	9.5
219.10172	100.0
220.10489	5.5
237.11287	1.4
249.11227	8.7
443.67474	1.0
570.31628	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	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	41.1
61.01148	26.3
65.47987	3.7
69.48931	21.3
70.06601	20.9
72.08155	15.6
74.06071	13.0
76.01762	3.5
81.07034	4.7
84.04499	15.6
84.08144	45.0
85.08501	4.1
86.09708	42.7
91.05473	8.5
101.07173	8.7
103.93253	4.0
104.05328	71.8
105.05674	9.3
105.07040	9.9
106.04900	7.2
117.07008	5.8
120.08110	38.7
121.06524	6.0
121.08450	5.2
129.10233	33.8
133.06500	8.5
137.06015	26.2
149.07448	18.6
151.07544	7.7
153.01784	5.5
161.05977	8.7
163.07565	3.9
167.07030	11.6
175.07500	4.4
177.09094	100.0
181.08540	7.5
189.09084	6.1
193.08607	49.9
197.12897	3.9
221.11760	13.6
243.08115	6.7
260.10577	16.6
261.10873	7.4
317.13831	6.3
343.15460	6.4
359.55389	3.9
361.16428	16.8
441.20886	6.1
591.36084	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	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30572	2.5
80.12375	1.1
91.05486	2.8
106.21497	1.3
107.04967	2.4
115.05429	1.5
117.07037	1.7
121.06530	2.0
128.06238	3.3
129.07018	5.6
131.04953	1.5
131.08598	8.5
133.06451	1.4
141.07033	3.3
143.08604	1.4
144.05693	2.8
145.06520	3.3
153.01904	1.3
157.06470	4.2
159.08041	11.4
161.09621	2.9
167.07083	2.4
170.07198	1.6
171.08046	2.1
172.05241	1.4
173.05971	1.5
174.06804	1.3
175.07547	1.9
179.06993	1.6
181.04868	1.2
187.07549	9.7
189.09126	5.0
198.06775	1.4
199.07477	1.6
200.44582	1.1
203.07123	1.8
204.07761	6.3
205.08571	1.5
216.07773	1.3
219.10101	6.4
221.11687	1.8
231.10135	1.9
233.11813	2.3
249.11218	100.0
250.11501	5.9
267.12369	1.5
404.85574	1.3
531.55328	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	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.3
55.01875	6.6
55.05511	12.2
57.03432	3.6
65.03931	3.2
67.05505	12.0
69.00906	5.1
69.01301	20.4
69.03428	12.3
69.07068	9.4
71.04990	8.7
79.05497	31.0
80.97917	2.9
81.03423	29.8
81.07058	64.2
83.04979	8.8
85.02908	10.4
85.06547	9.9
91.05486	31.4
93.07053	92.9
95.04969	13.1
95.08631	5.5
97.02914	21.8
97.06551	19.3
99.04468	33.6
101.06029	6.0
103.05462	4.5
105.07040	70.0
106.07343	2.9
107.04966	8.1
107.08605	20.9
109.02869	14.2
109.06513	38.5
111.04443	4.9
117.07018	7.0
117.85632	2.8
119.08575	40.1
121.06511	100.0
121.10136	2.8
123.04457	4.3
123.81036	2.7
125.02354	31.7
125.06017	4.2
127.03920	10.6
127.07568	16.7
128.06250	8.0
129.06989	17.2
131.04883	3.2
131.08565	12.4
133.06500	10.1
133.10136	17.1
135.04410	12.3
135.08043	7.9
137.06007	11.2
139.03896	4.3
139.07567	19.0
141.05457	2.6
141.07013	5.4
142.07793	16.7
143.08568	34.8
144.23804	3.0
145.06419	4.2
145.10130	24.2
147.08057	11.8
147.11693	59.3
149.02380	3.1
151.07538	6.7
151.99763	3.1
153.05460	3.1
155.08549	8.7
156.09349	20.4
157.04976	35.8
157.10126	56.3
158.07381	3.1
158.10657	2.9
159.08067	4.9
159.11749	5.6
161.06027	3.1
161.09613	10.6
161.13245	14.3
163.03920	3.6
165.06941	4.3
166.07785	3.9
169.10178	5.5
171.08058	3.1
171.11687	53.3
173.09598	12.7
173.13293	2.9
175.07610	4.4
175.11171	31.2
181.04930	3.7
181.10095	5.6
183.11725	3.6
184.08792	4.3
187.11214	10.3
189.12747	47.7
190.13127	3.2
191.74603	2.5
193.05013	5.1
193.12315	5.4
197.09630	3.6
198.68460	2.7
199.06052	6.6
199.11194	32.6
205.12282	3.1
207.13799	29.1
208.14182	2.6
215.10718	4.7
217.12230	89.2
218.12653	3.9
219.06506	3.2
223.06035	6.6
233.11678	3.5
235.13292	94.2
236.13684	3.4
241.12183	3.4
247.05983	15.9
253.14317	15.5
265.07111	13.0
274.42957	3.1
283.08200	2.9
301.14413	3.9
325.14447	4.1
337.16476	4.9
343.15387	9.5
361.16656	7.3
379.17410	20.1
522.72931	3.1
539.79425	2.8
570.29456	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	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	1.0
69.18774	4.5
69.19190	2.8
115.05486	0.9
118.37242	0.9
129.06996	4.4
131.04916	1.2
131.08556	5.6
137.06017	1.2
141.06969	4.7
156.15054	1.1
157.06458	5.9
158.07292	3.9
159.08023	5.3
169.06499	2.3
170.07272	1.3
174.06772	10.5
175.07513	2.9
186.06789	2.6
189.09106	24.2
191.10690	2.2
201.09134	9.1
219.10175	100.0
220.10545	3.9
237.11253	2.0
437.76022	1.4
480.27084	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	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.1
70.06569	0.8
71.28191	1.0
77.08959	0.7
79.05481	2.0
81.03429	1.2
85.02921	3.7
91.05497	3.3
92.53628	0.7
93.07037	1.4
97.02889	1.7
103.05475	1.4
105.07001	0.8
107.04965	2.1
109.02865	0.8
115.05444	2.0
117.07041	1.0
119.08533	0.7
121.06545	3.3
123.04434	0.9
127.03987	0.9
128.06238	2.4
129.07016	11.8
131.04910	1.9
131.08598	9.1
135.08008	0.7
137.05977	3.1
141.06982	5.3
143.04935	0.8
144.05690	1.1
145.04962	1.1
145.06479	1.4
146.07286	0.8
149.06015	1.0
151.07571	0.9
157.06490	8.2
158.07242	3.0
159.08049	7.3
160.05232	0.7
161.05977	2.9
161.09602	1.5
163.07556	2.3
167.07054	12.0
169.06396	3.3
170.07243	1.3
171.08089	0.8
173.06003	0.7
174.06776	14.1
175.07532	5.0
176.08194	0.9
177.05450	0.7
180.08667	1.0
181.08568	7.9
186.06735	4.0
187.07549	0.8
188.08331	0.9
189.09113	30.2
190.09506	1.4
191.10683	3.0
195.08044	0.9
201.09120	8.3
207.08427	0.8
207.10208	2.6
219.10184	100.0
220.10484	3.6
221.02919	0.6
221.05978	0.7
223.11266	0.8
225.09099	0.8
249.11261	0.9
253.08533	1.9
257.11844	1.8
283.13281	1.0
285.11301	1.9
311.12503	0.8
315.12167	1.7
317.13800	2.5
331.15405	0.9
343.15427	4.8
346.80392	0.7
361.16473	20.9
362.16571	0.8
401.41266	0.7
571.23199	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	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81626	0.6
62.89428	0.6
69.03441	0.9
69.47796	0.6
69.79460	2.0
70.06591	1.0
73.02935	0.6
81.03449	1.0
85.02902	2.7
90.94404	0.7
91.05479	2.0
97.02904	0.9
98.23339	0.7
103.05520	0.9
109.02917	0.7
114.25939	0.6
115.05462	1.9
121.06492	2.5
121.81091	0.6
124.05222	0.6
124.97669	0.6
128.06206	1.0
129.07016	7.8
131.04918	1.9
131.08597	8.3
137.05989	2.0
141.07005	6.5
144.05721	0.9
145.04921	0.9
145.06461	1.1
151.07463	0.7
157.06482	7.4
158.07285	3.3
159.08067	6.3
160.05255	1.1
160.93309	0.6
161.05940	1.2
161.09625	1.3
163.07565	1.2
167.07065	4.6
168.05856	0.9
168.07289	0.6
169.06424	3.5
170.07222	1.1
171.08081	0.9
173.05945	0.7
174.05365	1.1
174.06781	13.3
175.07536	3.3
180.08716	1.1
181.08615	2.6
186.06749	4.0
189.09114	29.8
190.09468	1.1
191.10684	1.4
201.09113	11.5
207.10136	1.2
219.10175	100.0
220.10593	2.6
285.11160	0.8
291.82339	0.6
317.13901	1.2
343.15491	2.0
361.16440	8.0
503.74338	0.6
508.47812	0.7
570.26556	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	570.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.05524	5.5
55.51177	4.5
60.08159	21.3
65.03932	9.6
67.05511	15.5
69.01348	42.8
69.03431	14.3
69.07079	6.6
71.07381	9.1
75.92818	5.3
79.05506	23.9
81.03425	13.7
81.07050	25.4
85.02907	13.5
86.09710	46.9
91.05493	25.5
93.07057	45.7
95.04984	16.0
95.08585	23.2
97.02892	12.5
97.06549	8.4
98.98467	5.0
104.10754	100.0
105.03426	5.0
105.07035	48.2
107.04961	7.2
107.08601	54.7
109.02902	9.6
109.10136	10.8
117.06997	10.8
118.21733	4.5
119.08598	26.0
120.65727	4.7
121.06547	26.4
121.10136	18.2
123.04443	15.0
123.08099	6.7
124.99998	28.9
125.05979	8.6
131.08601	26.6
133.06487	5.6
133.10104	39.0
135.08063	7.6
135.11697	31.3
137.05952	7.4
137.09665	5.8
143.08588	6.0
145.10135	22.8
147.08086	7.2
147.11699	7.0
149.09584	6.1
151.03888	12.0
151.07550	5.1
153.01859	9.0
153.05495	22.5
157.10094	9.9
159.11687	33.5
163.11241	9.9
167.07074	13.3
173.09633	15.6
175.07629	4.9
175.11101	6.1
177.05492	14.8
177.12766	9.2
181.04970	45.9
183.06493	9.7
184.07368	99.7
187.14810	14.3
205.12152	8.9
215.14316	8.2
216.14516	5.0
231.06618	14.0
289.14322	11.0
307.15503	25.2
377.19482	17.2
443.01004	5.5
452.24112	10.6
552.33069	13.1
570.34412	6.9
571.27155	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	570.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21318	0.5
61.68645	0.5
69.04585	0.6
69.07072	4.9
69.22316	0.5
70.02957	0.7
70.06594	100.0
71.06922	1.6
76.86503	0.6
84.08179	0.8
84.51441	0.5
85.04029	1.4
86.04760	0.5
86.09707	47.6
87.05608	4.8
87.24892	0.6
96.08135	3.5
98.02410	2.1
98.09704	0.8
100.11247	0.6
110.09695	1.4
111.09207	0.7
113.10752	1.1
114.09223	0.7
115.05046	0.7
125.10784	0.6
127.08681	47.9
128.07103	1.4
129.07013	0.9
131.08614	0.7
137.06134	0.6
137.07121	2.4
138.09160	2.1
141.06995	0.5
141.10236	11.2
153.10271	3.1
155.08157	42.2
155.11765	9.7
156.08487	0.7
157.06393	0.7
158.07253	0.7
159.08005	0.6
166.08685	1.1
167.08231	0.9
169.09747	0.9
174.06772	1.3
175.07533	0.6
180.11353	1.5
181.09732	6.5
183.11375	4.1
183.14938	22.0
184.15352	0.6
186.06935	0.5
189.09117	2.6
189.12312	3.9
200.13950	15.2
201.09152	1.0
211.10771	7.9
211.14359	7.2
219.10179	12.3
222.16058	1.3
223.14380	0.6
226.11909	3.0
228.13434	10.3
240.17070	8.3
250.11859	0.7
250.15494	3.1
267.14301	0.6
268.13254	1.4
268.16550	18.3
269.16797	0.7
278.15051	1.2
285.15610	3.4
286.17618	26.3
287.17908	1.2
296.16064	2.1
296.19275	0.7
325.18716	1.2
328.73047	0.6
343.19763	40.3
344.20074	1.8
353.18204	1.8
353.25415	0.9
363.24002	2.0
365.18121	1.4
381.25052	0.7
382.20850	1.7
391.23544	1.2
448.04169	0.7
450.27072	1.6
456.28433	2.4
466.26675	5.8
467.30087	2.8
478.26245	2.5
495.29510	2.8
496.29562	0.6
513.10504	0.7
535.28607	1.1
552.31384	2.3
553.30005	2.0
570.32581	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	570.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03675	1.1
52.91935	1.0
55.05506	2.7
57.07076	55.5
58.56218	1.0
60.04531	2.0
63.36594	1.1
67.05504	2.1
69.05952	9.9
69.07068	7.4
71.08631	48.2
73.06551	4.6
81.07028	1.5
83.08622	3.6
85.10185	34.0
87.04472	5.5
89.06030	100.0
95.08590	1.3
97.10152	2.8
99.11735	6.4
107.07043	2.1
110.71026	1.2
110.96328	1.2
111.11751	4.0
113.13287	6.0
117.09132	4.7
125.13261	3.6
127.14840	4.8
130.08649	2.0
131.07056	2.1
133.08600	68.7
144.31874	1.2
144.47543	1.1
148.30919	1.1
153.28662	1.1
175.09691	1.3
177.11211	28.5
183.21066	2.2
195.12317	1.9
221.13852	3.5
227.23788	1.9
265.16434	1.5
271.26303	3.9
283.17514	3.4
315.28946	4.1
327.19971	2.2
344.01624	1.1
371.22708	10.9
381.86444	1.2
509.40240	1.6
553.42981	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	570.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01870	1.4
55.05513	14.8
56.05039	6.0
57.03435	0.8
57.07079	7.6
58.02966	0.5
58.06598	1.3
60.04527	100.0
61.04870	0.6
65.03936	1.4
67.04268	0.4
67.05504	21.9
68.05037	1.0
69.03429	0.4
69.07069	18.0
70.02963	0.5
70.06598	3.2
70.96341	0.4
70.96690	0.5
71.05009	0.6
71.08633	4.7
72.04516	6.4
74.06082	3.4
79.05494	14.1
80.05022	1.8
81.03425	5.1
81.05810	0.9
81.07059	22.3
82.06579	4.1
82.07410	0.4
83.04976	1.8
83.08619	11.1
84.04505	0.9
84.08132	1.7
85.02910	0.7
85.10181	1.8
86.06068	3.7
86.09673	0.4
86.23286	0.3
88.07643	0.3
89.06047	1.5
90.05561	4.4
91.05482	13.2
93.07044	12.6
94.06573	6.6
95.04959	3.1
95.07355	2.3
95.08607	18.2
96.08134	2.9
96.08733	0.3
96.08952	0.3
97.06538	1.9
97.10168	6.7
98.06057	2.4
99.06847	0.6
100.07661	1.0
102.05537	0.7
105.04530	0.6
105.07028	8.5
107.08595	5.8
108.08147	2.4
109.06552	1.0
109.10156	7.0
110.09694	1.4
111.08100	1.5
111.11736	1.9
112.07632	1.4
114.09168	0.6
116.07109	1.0
119.08582	8.6
120.08115	0.3
121.08903	0.4
121.09241	0.4
121.10147	5.4
122.09644	2.6
122.10425	0.4
123.08092	1.5
123.11717	2.5
124.11288	0.7
125.13271	0.6
126.09173	0.7
131.08510	0.3
133.08618	0.7
133.10124	5.7
133.11052	0.4
134.09636	0.5
135.10591	0.7
135.11688	4.2
136.11256	1.1
137.09595	1.8
137.13277	0.7
140.10725	0.4
141.12743	0.3
147.11682	2.3
149.12143	0.5
149.13304	1.5
150.12776	0.6
151.11224	0.4
151.14803	0.5
155.14346	0.6
156.17535	0.7
161.13266	1.9
163.14854	1.0
166.27687	0.4
170.19044	0.4
175.14874	0.7
177.11275	0.4
189.16396	0.3
219.21138	1.4
233.22653	1.8
234.22218	1.1
237.22127	0.4
238.25298	0.6
245.22655	6.1
246.23032	0.5
250.25342	3.8
251.23586	0.5
252.26872	1.0
254.24820	1.0
260.23843	0.5
262.25302	43.1
263.23566	8.5
264.24106	0.5
266.24857	0.9
268.26328	1.5
272.25845	11.1
280.26349	40.5
281.26971	2.0
298.27399	17.3
299.27853	0.8
314.26883	3.1
316.28476	3.3
324.29123	0.5
344.27933	1.5
356.27997	0.5
459.90790	0.4
494.53998	0.4
504.47729	1.0
516.47882	3.8
517.47882	0.4
534.48810	17.1
535.42151	0.4
535.48962	2.0
552.49841	86.4
553.50220	9.0
570.50867	5.5
571.51062	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	570.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
53.84657	0.4
55.01867	1.5
55.05512	16.4
55.50584	0.3
56.05035	7.0
57.03431	1.2
57.07075	8.2
58.02966	0.7
58.06602	1.0
60.04524	100.0
61.04863	0.8
62.72039	0.3
65.03943	1.1
67.05505	22.5
68.05032	1.1
69.03436	0.4
69.07067	19.0
70.02950	0.8
70.06594	3.4
71.04992	0.7
71.08624	5.1
72.04515	5.5
72.08163	0.4
74.06073	3.6
79.05492	14.8
80.05009	1.8
80.05804	0.3
80.36914	0.3
81.03420	4.3
81.07053	22.0
82.06575	3.9
83.04985	1.5
83.08619	12.0
84.04486	0.5
84.08148	1.9
84.62703	0.3
85.02892	1.0
85.10186	2.5
85.47557	0.3
86.06071	3.4
89.06025	1.9
90.05547	4.6
90.06045	0.4
91.05478	14.2
91.52334	0.3
93.07043	13.5
94.06566	6.2
95.04967	3.7
95.07370	2.0
95.08607	19.6
96.08129	3.5
96.08740	0.4
96.08945	0.4
97.06516	2.3
97.10175	6.9
98.06060	2.1
98.09666	0.4
98.23354	1.4
99.06830	0.7
100.07621	1.0
103.05445	0.3
105.04516	0.7
105.07030	9.0
107.08595	6.9
107.09290	0.6
108.08126	2.4
109.06528	1.2
109.10153	7.6
110.09689	1.2
111.08099	1.3
111.11712	1.9
112.07613	1.2
114.09203	0.7
116.07113	0.9
117.07008	0.5
119.08578	8.9
120.08156	0.4
121.10134	6.9
122.09682	1.9
122.10445	0.4
123.08080	1.8
123.11706	2.8
124.11237	0.6
125.09666	0.4
125.13297	0.5
131.08574	0.7
133.08591	1.1
133.10129	7.1
134.09621	0.7
135.10567	0.7
135.11705	3.5
136.11203	1.0
137.09627	2.0
137.13284	1.3
140.10786	0.4
147.11670	3.4
149.13240	1.8
151.14780	0.7
154.12186	0.4
161.13229	1.9
163.14830	1.1
170.18997	0.5
175.14818	0.8
219.21123	1.4
222.22322	0.4
229.33569	0.4
233.22618	1.0
234.22119	1.0
237.22171	0.4
238.25179	0.5
245.22664	5.3
250.25298	4.0
252.23454	0.4
252.26920	1.1
254.24828	1.1
260.23639	0.4
262.25296	37.7
263.23526	7.0
263.25629	1.1
266.24945	0.9
268.26331	1.6
272.25851	9.1
273.26041	0.4
273.66599	0.3
280.26343	33.4
280.86841	0.4
281.26840	1.9
296.25809	0.4
298.27402	15.9
299.27747	0.7
310.27481	0.6
314.26889	3.3
316.28571	2.4
317.25180	0.4
324.28894	0.4
336.58807	0.4
344.28052	1.2
385.00443	0.4
488.48407	0.5
504.47678	1.0
516.47791	3.4
534.48816	15.9
535.49158	1.7
552.49847	71.6
553.50183	8.2
570.51227	4.1
571.47437	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	571.1086
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
55.01870	5.7
55.05511	0.9
57.03440	1.0
62.06094	1.1
67.05504	1.6
69.03434	13.1
70.06593	1.7
71.01347	4.5
71.29147	1.2
79.01849	3.8
79.05486	1.5
79.64511	0.8
81.03407	2.5
81.07031	1.3
85.02905	3.2
86.09703	2.5
86.22184	0.9
87.04476	1.5
91.05490	1.7
91.63716	0.9
93.07034	1.7
95.05013	1.3
95.08591	1.0
97.02895	15.6
107.01312	1.7
107.04971	1.7
109.02882	3.6
115.03924	9.6
121.02855	2.4
121.41421	0.9
125.02341	4.4
127.03903	5.8
136.19426	0.8
139.03896	1.7
143.03438	5.2
153.01834	100.0
153.02887	5.5
154.02187	2.9
165.01889	1.3
171.02917	7.2
191.10730	1.0
285.06070	21.6
287.05508	50.6
288.05872	2.4
317.06116	0.9
342.44989	0.9
348.72784	0.8
396.26819	0.9
455.27957	2.0
456.28394	1.9
534.78510	1.0
571.23523	15.6
571.37561	1.9
572.23981	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	571.1086
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
55.01880	0.6
60.08152	0.5
69.44533	0.4
71.30490	0.5
81.03411	1.5
86.09692	1.7
91.05466	0.5
93.07021	0.6
107.01279	0.6
109.02892	0.5
115.03990	0.5
121.06490	2.5
123.04439	0.6
124.99988	0.8
127.03928	1.1
131.08527	0.5
137.02347	100.0
138.02690	2.9
138.09077	0.5
139.03877	0.5
153.01834	13.4
159.11647	0.5
164.23529	0.4
184.07330	4.3
221.04390	1.1
251.05406	0.5
258.55432	0.5
269.06561	10.3
285.06122	0.9
303.05038	1.4
327.05069	0.5
365.22568	0.4
417.08090	0.4
571.20612	1.5
571.27539	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	571.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
53.03950	7.2
53.51721	0.8
55.01875	9.1
55.05514	23.7
57.03453	4.9
57.07067	2.2
59.05008	0.9
59.61561	0.8
61.09929	1.0
65.03935	3.7
67.05511	44.5
68.05831	1.0
69.03419	3.5
69.06724	1.6
69.07071	16.8
70.67023	0.9
71.04991	3.3
71.08614	1.5
71.32616	0.9
76.85706	0.9
77.03925	1.3
79.05500	66.5
81.03427	9.8
81.07063	100.0
81.23483	1.0
82.07422	1.7
83.04986	14.6
83.08619	9.8
85.02914	6.0
85.06543	2.2
91.05489	42.8
93.07051	40.2
94.04160	1.0
95.04978	21.6
95.08612	23.1
97.06544	4.5
97.10184	9.3
99.04457	2.9
99.08076	1.1
103.05487	2.3
105.03384	1.0
105.04533	1.5
105.07040	35.3
106.07378	0.9
107.04961	13.4
107.08605	19.0
109.06525	40.2
109.10175	9.9
111.04448	9.6
111.08094	5.4
115.05429	2.6
117.07022	15.3
119.04906	1.1
119.08592	35.1
120.02139	1.0
121.06521	9.6
121.10152	13.3
123.08078	7.4
123.11731	1.5
125.09658	5.2
127.07700	1.0
128.06250	3.5
129.07013	10.3
131.08583	11.2
133.06519	2.7
133.10147	12.0
135.08047	7.0
135.11708	6.9
137.09633	4.8
141.06960	1.4
142.07729	1.5
143.08578	9.1
145.06477	2.6
145.10127	16.1
147.08063	12.4
147.11691	14.6
149.09627	4.9
149.13235	1.6
151.11180	1.0
152.66974	1.0
153.12799	2.8
155.08531	1.3
157.10112	4.9
159.08046	2.8
159.11678	5.8
161.09634	9.8
161.13266	5.9
163.11205	9.2
165.09143	4.4
167.08492	1.4
169.10115	2.3
171.11703	11.1
173.09657	1.6
173.13336	1.5
175.11198	2.4
177.12752	1.5
181.12216	2.6
185.13205	2.1
187.11182	2.2
187.14766	1.5
189.11450	4.6
189.12769	4.5
191.10654	2.9
195.11682	1.1
207.13806	7.9
208.12381	1.1
223.13287	5.6
227.12822	3.0
245.18990	3.5
249.14761	3.5
249.17241	1.1
255.17509	3.8
273.18506	33.0
274.18802	1.6
275.20175	4.8
279.15976	1.4
281.17365	7.7
291.19556	74.4
292.19977	3.4
309.20264	1.2
336.81235	1.2
347.22079	5.5
365.23099	1.9
553.35120	4.6
571.36096	27.9
571.46771	5.4
572.36609	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	571.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01871	1.4
55.05517	43.4
56.47192	1.3
57.07082	13.4
58.08832	1.1
60.04539	2.6
62.18164	1.4
65.03951	2.8
67.05510	37.8
69.07076	50.8
71.04986	1.2
71.08640	12.5
79.05497	37.6
81.07063	39.9
82.07375	1.1
83.08624	44.2
85.10184	3.6
91.05485	21.5
93.07051	39.5
95.04991	3.3
95.08617	26.9
97.06588	1.4
97.10178	35.6
97.10775	2.3
105.04504	1.5
105.07033	12.8
107.08611	20.7
109.06514	1.3
109.10188	7.2
111.11737	16.1
117.07030	4.8
119.08627	8.0
121.10149	20.7
123.11761	1.9
125.13280	2.4
131.08566	8.0
133.10138	10.0
135.11711	11.4
145.10152	4.3
147.11708	4.9
149.13310	4.5
159.11758	4.0
161.13330	5.0
163.14868	2.2
173.13330	4.0
187.14859	1.5
237.22183	1.6
243.21060	2.2
261.22250	7.5
293.85672	1.2
311.25980	2.0
317.24930	2.7
553.49976	1.8
565.91272	2.0
571.47241	100.0
572.47510	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88618	0.3
59.88160	0.3
69.59985	0.3
70.06584	1.5
71.08634	22.4
71.28068	0.4
72.08156	0.5
88.11270	100.0
89.11587	2.0
97.30505	0.3
116.07103	1.4
120.08106	1.2
121.06510	0.6
144.99055	0.3
153.01845	2.0
166.08667	0.5
172.46233	0.3
188.14246	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	572.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89089	0.8
57.03444	4.4
57.04406	0.8
57.83768	0.8
59.05006	1.4
65.03941	1.9
69.03439	18.2
70.06591	1.1
71.29706	0.7
75.04475	1.0
79.05511	1.0
85.02907	12.1
86.09721	0.9
87.04475	10.9
91.05488	100.0
92.05827	3.5
93.07046	0.8
97.02897	15.3
99.04421	1.0
105.07057	1.1
115.03941	18.5
116.05753	0.9
119.08604	0.9
121.06528	5.7
127.03943	1.3
133.04976	18.6
137.05980	1.5
145.05011	1.7
149.06017	2.4
153.01802	1.1
167.07053	2.0
167.10443	0.9
183.02988	3.0
184.07423	1.1
189.49202	0.8
199.07675	1.0
224.59006	1.0
243.06676	1.6
248.07094	0.9
259.07983	0.8
261.07648	6.3
285.07660	4.0
286.71964	0.8
315.51569	0.8
357.09616	2.1
494.15091	0.9
513.23792	0.9
572.30280	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	572.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51059	1.1
53.03943	1.2
55.01879	1.6
60.55856	1.1
62.60416	1.4
65.03944	2.0
69.03422	1.5
70.06585	1.9
71.30511	1.8
79.05492	1.5
79.58112	1.1
83.30953	1.3
84.04556	1.5
85.02911	4.2
86.09712	3.4
88.19620	1.4
91.05485	9.1
93.07066	2.0
94.04210	1.6
97.02949	1.6
102.04649	1.4
103.05473	4.5
105.07029	6.0
107.04964	4.8
115.05447	3.1
119.04958	8.4
121.06532	8.0
122.03650	2.2
123.04414	4.2
125.06031	1.6
127.03989	2.0
130.04201	2.3
131.04955	7.2
133.02853	1.8
133.06506	6.1
135.04401	3.7
137.05984	51.1
137.07048	2.5
139.03906	1.8
147.04424	12.7
149.05995	23.4
150.06737	2.6
151.03914	3.4
151.07523	3.2
153.01823	4.1
153.05475	4.5
161.05984	100.0
162.06746	11.5
163.03941	1.5
163.07539	5.9
165.01823	3.2
165.05496	2.0
165.06859	1.8
175.07565	7.8
177.05479	3.1
179.06975	8.2
188.04662	2.4
191.07092	4.2
193.06508	2.0
195.06554	5.7
201.05450	1.5
202.05739	1.4
203.07039	65.1
204.07381	1.7
205.08597	2.1
207.08127	2.1
210.06792	2.1
215.07063	2.0
221.06021	7.0
221.08063	44.3
222.06702	2.3
224.08339	2.2
225.09099	11.3
233.08037	13.6
237.09076	2.1
238.06219	2.5
239.10648	1.5
245.07747	1.9
249.09297	1.9
253.08575	17.3
254.09114	1.9
265.08658	5.0
267.10178	7.0
277.08618	4.2
285.11218	61.3
286.11618	4.3
295.09555	3.7
297.11273	14.5
307.09702	2.2
309.11142	6.6
325.10663	15.3
327.12277	80.6
328.12540	5.1
339.12262	5.7
345.13315	43.5
345.71579	1.7
346.13638	3.6
357.13306	9.8
386.22897	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	572.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
53.52239	0.5
64.02367	0.7
73.02918	0.7
78.04720	1.5
79.05499	3.1
91.05466	1.8
93.07057	0.9
95.04975	1.0
99.00494	0.7
99.54286	0.5
103.05459	3.6
105.03385	0.7
105.07018	5.2
106.04186	1.0
107.04961	7.4
109.02828	0.6
109.06496	0.7
109.68679	0.6
115.05468	2.5
117.07009	1.1
119.04901	0.8
121.06518	3.8
123.04436	5.2
123.08038	1.0
124.05197	2.4
129.06989	1.5
131.04912	5.2
131.08513	0.7
133.06493	4.5
135.04454	1.3
135.08080	1.7
137.05991	4.2
144.05685	0.7
145.06483	2.1
147.04388	2.2
149.05968	1.3
151.03885	1.8
151.07484	3.1
152.04617	2.0
153.01826	2.5
153.05493	1.3
155.05998	0.7
158.07271	1.7
159.08063	2.1
161.06001	6.5
163.07550	11.7
166.06227	0.7
167.07042	100.0
168.07379	2.7
173.06126	1.4
173.09657	1.1
175.07521	2.1
177.09151	3.0
179.05663	0.7
179.07024	4.4
181.04979	0.9
181.08597	7.6
187.07538	3.1
191.07004	0.8
193.08620	15.1
193.10211	0.7
201.09088	2.3
205.08556	1.7
205.41238	0.6
218.96240	0.6
219.10158	2.8
222.29295	0.6
233.11632	2.7
237.11221	2.4
251.12833	2.2
263.10638	0.9
269.04459	1.8
270.55472	0.6
291.10172	1.2
295.13101	0.8
323.12537	1.4
355.15399	9.7
387.18024	10.5
405.19037	17.4
406.19211	1.3
421.09210	2.3
468.87976	0.7
572.25500	0.8
573.15094	0.9
573.28619	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	572.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98274	3.1
53.03950	7.1
53.36633	3.1
53.63983	2.7
55.01871	3.4
55.05505	6.5
67.05504	9.6
69.03429	8.7
69.07073	13.6
69.14527	19.3
71.05013	6.4
79.05498	20.5
81.03432	20.9
81.07063	39.0
83.04990	14.8
85.02894	4.3
85.06528	6.4
91.05495	17.7
93.07050	44.3
95.04974	10.8
95.08604	18.2
97.02895	6.0
97.06546	25.4
99.04464	16.2
105.07034	35.5
107.04936	7.6
107.08598	26.9
108.68394	2.5
109.02866	14.3
109.06539	26.2
109.10153	9.2
111.04435	3.8
111.08095	5.9
116.05624	2.8
117.07018	4.2
119.08607	24.4
119.99569	2.7
121.06519	55.6
121.10146	9.0
123.04425	2.7
123.08062	11.0
123.11682	3.9
125.06008	18.6
127.03928	29.4
127.07570	10.2
128.06209	4.3
129.07045	7.1
131.08556	7.7
133.06531	3.9
133.10139	14.2
135.04492	3.1
135.08076	11.2
137.05998	7.6
139.07568	8.3
142.07779	5.7
143.07053	16.8
143.08597	13.3
145.10149	12.0
147.08076	4.7
147.11702	65.4
149.13286	3.8
151.07590	2.6
153.01921	2.9
153.09085	3.2
157.10123	16.7
159.08170	4.3
161.09601	3.4
161.13292	6.6
165.12756	29.0
168.45876	2.7
171.11745	18.3
171.13107	3.4
173.09637	7.4
175.11227	35.3
181.10118	4.6
189.12793	27.3
191.14404	4.2
193.12245	35.9
199.11157	23.1
207.13799	23.0
209.15398	6.2
211.13229	10.1
217.12251	66.1
218.12656	3.3
229.14444	4.7
235.13312	100.0
236.13672	4.4
250.40572	3.1
253.14369	58.9
319.15475	3.0
325.14261	4.2
343.15411	5.9
361.16364	6.2
379.17532	27.3
397.18616	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	572.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95639	0.5
53.03944	0.7
58.99558	0.5
69.34612	3.3
73.02926	0.7
78.04713	2.0
79.05507	2.8
81.03415	0.7
86.77789	0.6
91.05482	2.1
93.03410	0.6
93.07075	0.7
95.04967	1.3
98.23276	1.2
103.05473	4.1
103.13107	0.5
105.07037	4.7
106.04162	1.5
107.04969	7.0
109.06520	0.7
114.31653	0.6
115.05481	1.4
117.07014	1.7
119.04969	0.6
121.06528	2.6
123.04432	6.4
123.08130	0.7
124.05226	2.4
125.06025	0.9
129.07011	1.0
131.04938	5.1
131.08562	0.9
133.06519	4.7
135.04416	0.6
135.08081	1.3
137.05977	2.1
139.03908	1.3
141.06976	0.9
143.04895	0.7
143.06111	0.5
145.06549	2.6
147.04417	1.9
149.06041	0.7
151.03975	1.3
151.07542	3.1
152.04691	2.1
153.01801	1.8
153.05489	1.0
158.07236	0.6
159.08064	1.3
161.06003	5.9
163.07567	12.9
165.09123	0.8
167.07051	100.0
168.07375	2.8
172.05130	0.7
173.06065	1.2
173.09639	1.3
175.07529	1.8
177.09161	2.6
178.48010	0.5
179.07108	2.8
181.05025	0.7
181.08618	6.3
187.07524	2.3
193.08627	17.0
201.09085	1.5
204.07661	0.5
205.08664	1.7
207.10138	0.9
217.08559	0.8
219.10133	2.8
231.08047	0.6
233.11769	2.4
237.11266	3.1
251.12791	1.5
263.10641	0.9
269.04471	1.5
284.69949	0.5
291.10291	0.8
291.18912	0.6
323.12772	2.1
355.15421	11.2
356.15848	0.8
387.18048	10.4
388.18250	1.1
405.13821	1.1
405.19122	16.6
406.19736	1.2
421.09082	1.7
571.75848	0.6
573.27386	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	572.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01876	1.6
55.05507	3.2
57.03436	4.8
57.07080	1.1
57.54220	0.5
65.03919	1.0
67.05518	2.9
69.03429	9.0
69.07066	1.5
71.01351	0.7
71.05006	1.7
73.02887	0.8
75.04485	7.7
76.02229	1.2
77.03928	1.0
78.04638	0.6
79.05492	21.5
81.03413	5.8
81.07069	6.3
83.04981	1.0
83.08623	1.1
84.04488	0.7
85.02901	7.2
85.06550	9.1
87.04477	0.8
90.46423	0.6
91.05482	18.2
93.07043	100.0
93.79753	0.6
94.00055	0.6
94.07372	2.0
95.04953	4.9
95.08595	4.8
97.02893	6.2
97.06535	1.7
98.22645	1.7
99.04441	2.0
100.11259	1.6
103.05478	1.0
105.04507	1.7
105.07036	10.2
107.04955	1.5
107.08595	18.8
109.02880	3.6
109.06553	1.2
109.10166	0.9
110.44471	0.7
111.04435	1.8
111.08070	6.8
112.29027	0.6
115.05463	0.6
117.07035	2.0
119.08579	11.4
121.06522	4.3
121.10142	89.5
122.10436	3.1
123.08070	2.3
123.11707	1.5
125.06007	2.5
127.03941	3.5
129.07016	1.7
131.08560	11.1
133.06570	0.7
133.07538	0.9
133.10130	2.4
135.08070	1.0
135.11717	0.9
137.06035	1.0
137.09639	0.8
139.11180	4.4
143.08588	0.6
145.04970	1.3
145.06441	0.8
145.10118	4.2
147.08095	0.8
147.11714	0.7
149.09618	27.3
156.47444	0.6
157.10211	0.7
159.08104	0.8
159.11736	1.1
161.09589	0.8
162.02223	0.7
163.07587	1.1
163.11205	2.3
165.09114	0.8
167.10680	32.0
168.10950	0.9
173.09639	1.3
175.11205	0.7
179.04845	1.4
182.15410	0.8
183.11841	1.0
187.11143	0.6
191.10667	7.3
192.57716	0.6
209.11711	10.8
210.14883	0.9
227.12784	20.9
228.13202	1.4
229.12335	0.7
229.26059	0.6
237.11226	0.7
251.17979	0.8
265.14642	0.6
275.12741	2.4
283.15289	0.8
293.13898	4.3
296.81241	0.6
311.14883	21.9
312.15384	0.7
329.15982	1.9
329.21146	0.9
339.19455	1.9
342.21512	0.6
357.20587	1.9
412.91583	0.7
501.24414	0.7
545.73273	0.7
572.30841	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	572.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.5
57.07083	27.9
63.12000	1.8
67.05511	15.2
69.07076	8.9
71.05003	7.8
71.08636	31.4
71.30709	2.1
73.06561	9.5
79.05508	6.1
81.07087	4.4
83.08629	10.0
85.10193	27.5
87.04481	6.4
89.06036	100.0
91.05460	4.1
93.07040	4.8
95.04986	15.5
95.08601	3.6
97.10154	4.5
99.11715	4.6
105.07119	2.3
107.07117	2.9
107.08617	2.4
109.10165	3.8
110.92836	1.5
112.07617	18.8
113.06018	20.7
117.09155	6.1
121.10197	3.0
130.08694	2.7
133.08618	47.1
133.10130	2.2
141.16400	4.8
150.44765	1.5
161.11809	1.8
173.08148	4.9
177.11229	19.1
179.65495	1.9
185.19020	7.2
186.53900	1.6
188.97444	1.7
198.60153	1.6
215.03745	1.8
221.13844	3.4
229.21713	6.4
273.24234	4.7
283.17618	1.9
293.08939	1.8
355.73047	1.7
364.88852	2.0
410.89053	1.8
508.60406	1.7
555.41241	3.6
572.47675	3.9
573.48401	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	572.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08892	2.1
53.03939	3.2
55.01874	2.6
55.05324	1.9
55.05510	21.7
56.59171	2.2
57.03435	15.5
57.06836	2.6
57.07075	30.3
65.03927	3.5
67.05504	37.9
68.05842	2.6
69.07056	46.0
71.04983	4.4
71.08632	24.9
77.71469	2.3
79.05489	20.1
81.03415	64.4
81.07053	46.7
81.25233	2.3
82.03777	2.5
83.04950	5.0
83.08618	27.5
85.06594	2.4
85.10169	14.1
89.06019	3.0
91.05479	27.1
93.07042	16.2
95.04940	15.4
95.08604	30.6
97.10155	11.1
105.07043	15.8
107.04960	4.3
107.08579	9.6
109.06483	3.3
109.10148	10.3
111.08054	5.0
117.07018	4.6
119.08593	12.8
121.10141	14.0
123.11677	7.3
129.06981	4.0
131.08575	5.7
133.10100	12.8
135.11685	6.8
147.11653	7.5
149.09590	3.6
149.13318	3.9
157.10117	5.8
175.11275	4.6
193.12263	21.5
196.12286	2.2
226.04958	2.4
257.24469	2.6
267.15897	100.0
268.16248	5.6
283.26300	3.2
301.20139	3.5
311.25662	10.4
313.27362	94.1
314.27731	5.9
367.29276	3.1
479.37311	21.1
505.31665	4.7
505.38806	66.0
506.39047	8.8
537.41125	10.8
572.47430	18.9
573.48425	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	572.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.05513	55.8
57.03442	19.6
57.07082	89.8
60.04529	21.8
61.74330	7.2
67.05513	93.1
68.05856	9.7
69.00179	15.2
69.00584	63.3
69.07074	75.0
71.08633	38.9
79.05499	80.1
81.03409	57.5
81.07057	96.6
83.08637	73.2
85.10188	18.4
91.05478	48.1
93.07055	68.2
94.07406	11.4
95.04971	25.0
95.08618	72.8
97.10186	34.5
105.07054	30.0
107.08599	20.4
109.10172	24.0
111.11725	11.9
117.07063	9.1
119.08613	27.9
121.10175	20.4
122.10448	10.3
123.11720	11.2
129.07086	9.7
131.08601	15.0
133.10107	8.2
135.11778	16.7
145.10146	8.5
183.48634	8.9
193.12222	13.7
195.86232	7.4
196.75681	8.0
227.71353	9.2
248.93460	9.2
264.26990	8.5
267.15906	76.2
282.27954	20.3
283.26404	9.3
300.29492	7.3
313.27496	65.0
450.59256	8.7
505.38797	59.3
554.51245	31.2
572.47095	100.0
573.48206	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.158
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-(6''-O-galloyl)-glucopyranoside
Peak:m/z	Relative Intensity
57.69695	0.4
69.19986	2.7
70.06536	0.4
79.05453	0.5
81.03423	0.6
81.07074	0.5
83.29045	0.4
85.02934	0.5
91.05479	5.4
93.07031	0.5
96.81695	0.5
97.02892	0.4
99.04429	0.6
109.02139	0.5
109.02852	0.9
109.10152	0.6
121.06536	0.4
127.03941	0.6
177.01535	0.5
185.04227	2.2
203.05309	0.5
227.05518	0.5
249.05252	3.1
267.05988	2.1
267.08505	1.7
269.06396	0.6
285.09485	2.3
287.07449	1.1
293.06393	0.6
311.07358	3.6
329.08411	16.0
347.09464	9.4
403.09897	2.2
421.11118	0.7
429.07623	2.2
447.09097	1.8
465.10040	7.7
467.16769	0.9
491.23685	0.4
511.15778	2.2
513.13641	1.2
529.17139	2.4
555.15399	0.6
558.19751	0.5
573.15784	100.0
574.16205	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	573.3035
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03953	4.0
55.05510	11.6
57.03445	7.1
57.07078	41.4
67.05507	44.0
68.05819	2.7
68.22056	2.2
69.07072	10.8
71.05008	2.9
71.08636	25.3
77.60970	1.9
79.05505	13.8
81.03422	10.6
81.07063	29.3
83.08614	14.1
85.06570	3.5
85.10169	17.1
91.05463	13.4
93.07032	16.1
95.04981	2.4
95.08610	29.9
97.10201	4.2
98.22569	4.9
98.98476	47.3
98.99115	3.5
105.07027	6.6
107.08603	4.9
109.02866	5.5
109.10137	21.5
110.10516	5.0
110.85274	2.4
117.07061	3.9
119.08618	4.7
119.42087	2.3
121.10133	4.7
123.11721	5.2
132.46654	2.9
133.10144	4.3
133.93744	2.1
135.11693	2.8
136.98456	2.1
147.11723	2.6
149.09741	3.1
154.63058	2.3
155.01033	32.3
173.02087	3.2
225.51375	2.3
239.23853	4.5
240.62035	2.2
246.50070	2.6
261.03882	2.5
275.20145	2.9
276.18613	2.4
313.27325	100.0
314.27649	6.1
335.07565	2.4
383.24228	7.4
384.24585	15.4
393.23877	4.4
401.28897	3.5
537.28625	3.4
573.48816	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	573.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
53.40911	0.7
53.74959	0.8
55.01873	6.5
55.05239	0.9
55.05513	15.9
57.03428	2.0
57.07076	1.9
65.03939	2.9
67.01862	2.9
67.05505	33.4
68.99791	23.2
69.03428	5.6
69.07068	17.4
71.01344	3.2
71.04984	2.7
71.08624	0.8
77.03940	0.9
79.05495	32.3
81.03423	18.2
81.07058	32.5
83.04984	7.7
83.08622	16.9
85.06525	2.4
87.00832	0.8
91.05483	28.9
93.07045	34.5
95.01331	5.7
95.04359	1.2
95.04971	26.0
95.08610	32.8
97.02905	4.4
97.06527	14.7
97.10176	6.1
98.22539	1.2
99.04426	0.8
99.08125	1.1
103.05467	1.7
105.03394	2.1
105.04513	0.8
105.07032	19.6
106.53638	0.8
107.04960	8.5
107.08599	18.7
108.08890	1.0
109.02924	0.9
109.06517	7.2
109.10159	11.3
111.00807	48.5
111.04442	8.3
111.08079	8.6
111.11716	1.2
113.02410	1.2
113.06030	0.8
113.09662	0.7
115.05465	2.2
117.07031	9.4
119.08593	15.3
121.02903	5.2
121.06512	10.5
121.10146	28.8
122.06879	0.8
123.04444	5.1
123.08084	5.7
123.11727	3.5
125.05997	4.5
125.09610	3.6
126.03085	0.8
127.03921	22.7
128.06236	1.1
129.07028	5.3
131.08560	13.9
133.06505	5.5
133.10126	15.0
135.08072	9.6
135.11699	15.8
137.02403	0.8
137.05977	2.8
137.09621	6.1
137.13231	1.6
139.03905	48.6
139.07498	3.8
139.11145	2.1
140.04253	1.1
141.05457	2.3
141.06995	1.8
142.07819	0.7
143.08528	3.8
145.06473	2.8
145.10136	9.8
147.04402	3.5
147.08037	4.6
147.11693	10.9
149.05983	3.9
149.09651	5.3
149.13269	3.9
151.03926	1.7
151.07561	2.1
151.11203	2.6
153.01787	4.1
153.05469	2.4
153.09122	2.2
153.12814	0.9
155.03374	6.8
155.08562	2.0
157.04971	9.4
157.06450	2.6
157.10121	3.9
159.08023	2.2
159.11668	4.3
161.06015	4.3
161.09622	2.4
161.13278	3.6
163.03917	11.7
163.07538	9.4
163.11237	2.5
163.14830	1.5
165.05496	2.7
165.09105	3.3
167.07060	1.3
167.10709	1.2
169.06383	0.8
169.10141	2.6
171.04372	0.7
171.07983	1.3
171.10297	1.4
171.11691	4.7
173.05997	2.2
173.09607	1.4
173.13278	1.4
175.07607	0.9
175.11168	2.1
175.14914	1.0
177.05449	1.3
177.09142	1.4
177.12804	1.5
179.06998	1.3
179.10692	1.7
181.04919	2.8
181.08591	3.8
181.10153	1.7
181.12260	2.3
183.11688	1.1
185.05835	0.9
185.09679	1.0
185.11774	1.0
185.13268	3.3
187.07529	2.6
187.11136	2.5
187.14841	1.4
189.05450	4.9
189.09099	1.0
189.12770	2.0
189.16373	2.1
191.06961	0.8
191.10757	1.2
193.12328	1.2
195.10184	3.0
195.11804	1.3
195.13802	2.2
197.09641	1.1
197.13365	1.5
199.11108	0.9
199.13278	1.6
203.07050	1.5
203.14232	0.7
203.17896	3.5
204.18315	0.8
205.04950	1.1
205.08606	6.9
207.06523	5.4
209.11710	5.3
211.14813	1.8
213.12868	0.9
213.16467	4.7
215.06944	1.4
215.10686	1.6
215.14139	1.0
217.12474	0.7
221.11685	0.9
221.19048	3.2
223.09697	5.7
223.13251	6.9
224.10118	0.8
227.12679	0.9
227.17986	1.0
229.08493	0.8
229.12369	0.9
231.13832	0.7
231.17477	2.6
233.08087	0.8
235.13239	2.5
237.14807	3.5
241.08621	1.7
247.13347	0.9
249.14847	1.5
249.18498	12.4
250.19049	0.8
255.17465	1.0
267.15891	0.8
267.19617	1.1
269.19113	0.9
273.14822	1.0
273.18475	1.5
291.19525	3.8
291.22925	1.6
297.18430	1.7
301.17953	0.9
303.19586	1.1
305.21103	4.8
307.22726	1.5
310.67642	0.7
315.19550	23.8
316.19901	1.4
317.21173	1.8
329.21130	0.7
333.20605	100.0
334.20874	6.2
335.22281	1.0
341.21097	4.1
341.24683	0.9
343.22726	1.3
347.42319	0.8
349.23804	4.4
355.22592	1.9
357.24182	1.2
359.22153	1.5
367.22284	1.1
369.24164	1.4
375.25308	8.8
383.25861	2.2
385.23584	5.7
393.24176	2.7
399.25461	1.5
401.23016	3.2
401.27560	5.5
409.23492	0.8
411.25449	3.9
417.24100	0.9
429.26297	3.2
435.25351	2.9
453.26404	2.7
469.29269	1.5
475.27454	1.1
477.26404	2.6
495.27448	2.0
501.26398	1.5
519.27454	19.4
520.27576	2.0
537.28473	50.4
538.28815	5.4
555.29510	78.9
556.29767	7.6
573.22467	3.1
573.30811	3.7
573.48730	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	573.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06267	1.4
53.00286	2.3
53.03937	4.5
55.01862	4.1
55.05517	19.3
56.11098	1.7
57.07080	2.7
63.07381	1.3
65.03939	3.8
67.01873	2.1
67.05505	32.1
68.99793	21.7
69.03431	6.2
69.06719	2.5
69.07069	20.8
69.91680	2.5
69.92052	3.2
71.01346	2.4
71.04984	2.3
71.08614	2.2
79.05495	32.6
81.03416	16.9
81.07057	32.3
83.04965	6.3
83.08629	16.0
91.05482	27.7
93.07052	35.9
95.01325	4.5
95.04971	18.3
95.08616	29.3
97.02890	2.7
97.06542	15.0
97.10159	5.5
98.22673	1.8
103.05470	2.2
105.03383	1.7
105.07033	18.3
107.04987	8.9
107.08591	25.4
109.06549	7.2
109.10161	9.6
111.00804	43.7
111.04408	6.8
111.08101	10.2
117.07014	8.7
119.04959	1.6
119.08567	16.6
121.02850	3.9
121.06510	8.1
121.10144	30.3
123.04449	4.1
123.08028	7.1
123.11723	3.2
125.05971	4.4
125.09600	2.8
126.03086	1.6
127.03919	24.7
129.06993	4.9
131.08563	13.9
133.06474	4.2
133.10127	13.3
135.08037	9.5
135.11720	15.0
137.05997	3.5
137.09639	8.3
137.37691	1.4
139.03909	46.7
139.07503	2.3
139.11172	3.3
143.08598	4.7
145.06505	4.2
145.10117	7.5
147.04387	3.0
147.08078	6.4
147.11667	9.4
149.05983	4.2
149.09602	5.6
149.13257	2.6
151.11176	2.6
153.01862	3.5
153.05429	3.5
153.09029	2.2
155.03413	6.2
155.08595	1.8
157.04951	8.2
157.06331	2.6
157.10147	4.6
159.08119	2.1
159.11713	5.8
161.06007	3.9
161.13242	4.6
163.03914	10.3
163.07510	7.9
163.11151	2.0
165.05493	2.2
167.07062	2.4
169.10095	2.0
171.11737	3.7
173.09538	2.3
173.13263	3.0
175.11223	1.9
175.14804	2.6
177.05382	2.0
177.09073	1.4
177.12726	1.9
181.04968	4.6
181.08627	3.9
181.10118	2.0
183.08044	2.3
183.11618	1.7
185.06062	1.9
185.13268	3.6
187.11243	2.5
187.14766	1.8
189.05493	6.5
195.10130	3.7
195.11740	2.1
195.13759	2.5
201.09023	1.6
203.14360	2.0
203.18004	2.8
205.08618	8.3
207.06555	5.4
209.11755	6.6
213.16364	6.8
221.19037	3.1
223.09628	5.5
223.13200	7.8
231.17599	2.5
237.14700	2.7
241.08473	2.7
249.14957	3.3
249.18468	11.5
261.60526	1.5
273.18500	1.9
273.87619	1.5
291.19492	3.4
305.21075	5.6
315.19592	25.6
333.20605	100.0
334.20905	8.0
341.21149	5.2
343.22540	2.1
349.23785	4.7
355.22638	1.8
375.25348	8.4
385.23761	5.8
393.24399	2.1
401.22394	2.8
401.27432	6.9
411.25183	3.3
429.26379	5.6
435.25311	3.8
453.26318	2.9
477.26578	2.5
519.27417	24.2
520.27478	3.3
537.28497	44.9
538.28546	5.1
555.29510	74.6
556.29730	7.3
573.22870	2.4
573.31110	4.7
573.49530	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	573.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.6
51.02375	2.2
53.03945	8.9
55.01883	10.5
55.05517	44.9
57.03444	6.9
57.07084	2.9
57.98761	1.1
58.50705	1.1
59.04997	2.1
65.03941	7.7
67.05507	77.3
68.05845	1.4
69.03440	3.9
69.07072	23.8
70.17708	1.1
71.04987	6.3
77.03931	2.4
79.05495	100.0
80.05825	2.3
81.03422	21.8
81.07060	68.3
82.07433	1.5
83.04987	22.7
83.08618	28.0
84.36872	1.0
85.02910	6.0
85.06555	3.8
91.05483	74.6
92.05798	1.7
93.07049	75.0
95.04974	62.9
95.08611	43.1
97.06528	9.2
97.10176	11.6
98.22604	4.6
99.04475	8.0
103.05482	2.4
105.04525	4.6
105.07034	57.9
107.04960	16.3
107.08600	43.7
109.06522	10.1
109.10165	14.3
110.06900	1.2
111.04458	13.1
111.08088	8.2
115.05485	4.5
117.07026	16.9
119.08584	41.1
121.06516	10.4
121.10155	21.0
123.08070	11.2
123.11728	2.7
125.09624	8.4
128.06268	4.2
129.07011	18.9
130.07819	1.6
131.08591	14.3
133.06491	2.6
133.10135	22.3
134.10423	1.7
135.08076	5.5
135.11705	9.2
137.09616	3.2
139.11188	2.4
141.06972	1.5
142.07849	1.5
143.08560	9.9
145.10130	23.2
147.08096	4.7
147.11687	32.5
149.09622	23.6
149.13297	2.0
151.11151	1.4
153.12798	1.5
155.08577	2.7
157.10190	3.8
159.11720	11.3
161.09650	5.1
161.13293	11.7
163.11197	20.2
165.12770	4.2
169.10210	2.2
171.11711	20.8
173.09671	2.1
173.11856	1.4
173.13315	2.8
175.11272	3.5
177.12802	3.4
179.14465	1.2
183.11768	2.4
185.13342	1.9
187.11215	2.2
187.14911	1.3
189.11450	8.7
189.12813	8.3
191.14328	2.2
193.12315	4.7
197.13403	2.7
205.12312	5.7
207.13828	15.1
211.13293	1.4
223.13289	42.9
224.13713	1.6
227.12857	4.0
229.19623	3.1
239.18010	3.5
247.20776	2.6
253.42271	1.2
257.18976	8.2
275.20071	56.5
276.20483	2.8
279.15790	1.6
281.17465	12.4
283.72626	1.3
293.21066	18.0
307.22775	1.3
349.23749	11.8
555.36884	15.0
556.37158	1.7
573.37872	48.2
574.38306	5.2
583.23395	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	573.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91966	1.0
53.03954	7.1
55.01876	55.4
55.05513	21.1
57.03439	5.0
57.07067	1.8
61.07711	1.1
64.80243	1.0
65.03934	4.1
67.05506	59.6
68.05836	1.2
69.03399	1.4
69.07066	30.7
71.05006	1.7
71.08640	1.3
73.05588	1.0
79.05496	60.9
80.05839	2.2
81.03417	11.7
81.07059	60.6
82.07416	1.1
83.04975	11.9
83.08620	8.2
84.44359	1.0
85.06535	1.8
91.05483	70.8
93.07050	57.0
93.07526	0.7
94.07388	1.2
95.01336	3.9
95.04972	17.5
95.08611	33.8
97.02869	1.5
97.06535	88.3
97.10165	3.6
98.06866	1.0
99.08041	1.2
103.05450	2.3
105.04523	2.5
105.07035	61.1
106.07394	1.2
107.04279	2.1
107.04962	23.3
107.08598	22.5
109.06551	6.0
109.10164	8.2
111.04487	1.1
111.08068	2.4
112.82789	0.9
113.09687	1.1
115.05421	1.4
117.07023	13.4
117.73471	1.1
119.08583	31.2
121.06488	4.3
121.10130	8.4
123.04453	2.1
123.08055	5.9
123.11722	1.9
125.09621	2.0
127.07536	1.3
128.06235	1.6
129.07011	10.8
131.08575	16.3
133.06496	2.1
133.10135	27.5
135.08080	3.0
135.11697	7.0
137.09633	3.7
139.07521	2.8
141.06964	3.0
142.88280	1.0
143.08533	6.2
145.06470	2.2
145.10141	12.9
147.08018	1.9
147.11684	28.0
148.12048	1.2
149.09622	17.7
149.13245	3.2
151.11182	2.6
155.08490	1.3
157.10176	2.4
159.11739	9.0
161.09630	3.8
161.13257	9.6
163.11200	12.1
165.09099	2.8
169.10144	1.9
171.11671	16.3
173.13239	5.7
175.11227	1.3
177.12721	3.8
179.14326	12.3
183.11752	2.3
187.11162	3.3
187.14795	1.5
189.12735	5.5
197.13286	2.0
201.12747	1.7
205.12292	2.2
207.13815	14.9
213.16479	1.6
239.17984	2.1
241.14265	1.1
247.20651	5.5
257.18988	7.0
275.20059	100.0
276.20447	5.3
279.16135	1.7
281.17474	38.7
282.17676	1.9
293.21133	11.6
332.57779	1.1
349.23761	22.9
350.23950	2.2
377.22968	1.4
384.24744	2.2
405.92767	1.3
459.30661	1.7
555.36829	37.3
556.37097	3.9
573.37207	4.1
573.48248	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	573.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.7
55.05511	35.6
57.07078	49.3
65.03946	5.3
67.05508	73.8
69.07077	37.5
70.60989	4.3
71.04996	3.5
71.08633	38.8
79.05500	46.6
81.07056	75.7
83.08620	29.7
85.10178	18.9
87.04472	9.8
88.90724	2.2
91.05478	21.2
93.07052	50.4
95.05002	4.5
95.08608	65.3
95.85791	2.1
97.10173	21.2
105.07032	17.9
107.08611	25.1
109.10162	27.5
111.11723	5.6
117.07053	8.1
119.08589	11.8
121.10132	24.6
123.11728	10.1
131.08578	10.7
133.10165	8.5
135.11700	12.5
137.13264	6.2
145.10144	7.3
147.11716	6.0
149.13281	7.1
159.11751	6.5
161.13287	7.4
165.16423	2.8
173.13321	4.2
175.14822	4.2
187.14888	3.1
230.98352	2.8
239.23660	4.8
243.21069	4.0
261.22202	12.5
313.27393	13.3
317.24939	9.9
458.99802	2.5
573.48773	100.0
574.49060	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	574.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.6
67.05504	7.5
69.03428	10.8
69.07083	5.6
70.06578	6.0
70.85859	6.2
79.05496	13.4
81.03400	12.5
81.07067	11.0
81.78768	5.2
86.09726	13.1
91.05492	10.5
95.04961	9.3
97.06513	6.9
99.04446	12.7
105.07037	17.3
106.79143	5.4
107.04946	13.6
109.06527	11.6
109.10152	39.1
119.08596	14.3
121.06458	6.6
123.04429	38.4
128.06215	8.5
133.10181	6.2
137.09615	60.6
138.95145	5.2
139.03871	14.1
143.08585	14.0
146.93512	5.0
147.08020	14.4
153.01859	13.5
161.09637	97.5
163.11095	6.2
165.09129	87.9
179.10750	11.3
189.09068	17.0
207.10179	100.0
225.11266	24.2
261.87689	6.2
387.16553	6.3
575.21606	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	574.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01877	2.8
58.77269	1.2
65.03944	5.6
67.49383	1.1
71.30997	1.8
72.67565	1.3
79.05502	3.8
85.02879	1.6
91.05481	18.7
93.03426	1.4
93.07054	2.5
94.04252	1.2
95.04984	5.1
102.04706	4.2
103.05479	7.4
105.03421	1.7
105.04498	1.3
105.07040	22.7
107.04945	1.8
108.02131	2.7
109.06541	3.6
110.03665	2.7
111.04449	3.8
115.05457	2.7
119.04954	28.8
121.03065	1.1
121.06516	5.2
123.04464	4.4
123.08076	1.5
124.05292	2.4
126.03145	1.8
127.03895	1.6
130.04144	10.4
131.04996	2.1
133.02878	2.3
133.06485	25.4
135.04430	3.4
137.02368	2.6
137.05981	23.0
139.03929	4.0
140.04680	2.1
141.05481	3.5
143.06075	2.3
147.04410	41.7
149.05997	17.9
150.06796	6.8
151.03960	3.5
151.07545	12.3
153.01839	4.0
154.02658	3.8
161.05984	100.0
162.06769	75.3
163.03809	1.6
163.07396	4.2
165.05482	1.2
167.07082	1.7
169.05019	2.8
179.07042	19.8
181.01608	1.4
181.05016	3.2
195.06601	2.7
195.19580	1.4
197.04440	25.5
198.04784	1.2
271.05963	2.8
287.05502	3.8
327.08658	20.7
328.09116	1.5
347.11395	2.4
351.35074	1.2
359.11209	7.5
359.15204	1.5
575.17700	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.7
54.35218	6.4
55.05511	21.8
57.07085	51.9
67.05506	77.9
69.07073	38.3
71.08623	31.1
79.05503	44.0
80.05856	10.5
81.03468	10.3
81.07048	64.9
82.07379	6.9
83.04984	17.8
83.08623	17.3
85.10190	13.3
87.04488	60.8
91.05483	23.6
93.07075	47.1
93.07544	8.2
95.04974	21.9
95.08607	47.5
97.06549	8.5
97.10162	8.4
98.23418	12.1
105.07020	18.3
107.04965	21.7
107.08611	21.4
109.10179	23.5
111.04467	38.1
119.08589	19.8
121.10175	36.1
123.11673	8.4
129.30179	8.4
135.11716	32.5
145.10165	32.7
147.11684	12.2
153.12787	11.6
155.08585	7.8
163.11177	40.4
172.01555	8.3
173.09697	19.5
181.12251	19.9
191.10635	25.4
209.11769	30.1
227.12766	24.7
265.14386	57.6
283.15424	100.0
301.16495	74.0
302.16818	8.1
313.27362	82.9
521.38293	45.8
539.39240	34.2
574.49011	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.05515	10.9
55.50125	1.1
57.03449	6.2
57.07081	37.0
58.07406	1.3
59.04998	1.6
61.02930	1.1
67.05506	52.2
69.03424	1.2
69.07067	12.3
70.55560	2.5
71.05000	18.9
71.08636	24.7
75.35819	1.1
79.05505	10.7
81.07061	82.4
82.07397	1.7
83.04996	1.9
83.08629	11.9
85.06541	7.5
85.10188	17.1
85.48101	1.1
87.04478	4.1
91.05489	16.4
92.61423	1.0
93.07040	11.0
95.04996	1.7
95.08607	26.0
96.08894	1.1
97.06547	4.8
97.10174	4.5
99.11703	1.5
105.07058	9.0
107.08593	8.7
109.10168	13.0
111.08099	1.8
117.07025	1.8
121.10159	4.3
123.11687	13.5
126.68526	1.2
131.08575	3.1
133.10120	12.7
133.11049	1.3
135.11708	4.2
137.13284	1.4
147.11610	1.2
149.13278	3.3
151.11186	5.9
159.11690	4.3
169.12169	1.5
177.12804	1.7
183.13820	3.0
185.47388	1.1
187.13361	5.5
201.14873	1.6
239.23674	3.7
257.17389	2.2
269.17560	3.1
301.20047	19.2
313.27383	27.8
350.86212	1.4
385.43301	1.2
406.00598	1.2
481.38882	100.0
482.39096	9.8
495.40564	3.9
507.40381	3.7
539.43042	40.8
540.43225	4.5
574.48962	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	575.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21891	0.3
53.13949	0.4
55.05513	0.4
55.26146	0.5
56.96571	1.1
67.05533	0.4
68.66180	0.4
69.26315	2.1
69.26745	0.7
76.81825	0.3
80.37045	0.4
81.07080	0.6
91.05474	1.1
97.02905	0.5
116.98621	0.4
123.04446	0.6
137.05997	0.4
147.04395	0.6
153.01782	0.4
157.63702	0.4
214.87233	0.4
302.01498	0.4
303.01886	1.9
319.01410	0.5
321.02673	0.5
331.01181	1.0
340.99548	7.8
341.03247	0.6
342.00372	0.5
343.34488	0.4
359.00732	11.4
360.00864	0.6
376.00986	0.7
377.01813	100.0
378.02094	5.2
382.02100	0.8
395.02878	30.6
396.03177	1.5
400.03427	3.9
401.01929	4.6
415.03439	0.6
418.04340	0.5
419.02884	17.9
420.03253	1.1
427.03516	0.4
437.04074	3.2
442.04565	1.2
455.02878	10.4
456.03052	0.6
473.04077	3.6
496.05505	0.6
515.04755	0.6
533.06036	2.1
551.06927	2.5
574.39417	0.7
575.30670	1.1
575.39148	0.6
579.35333	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	575.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
55.01863	0.7
57.03436	2.1
61.02935	0.7
65.03945	0.8
67.05509	1.3
68.99800	0.9
69.03450	0.8
69.68026	1.8
73.02931	3.9
76.70827	0.5
77.03947	0.7
79.01868	1.4
79.70563	0.4
80.51150	0.4
83.04980	0.6
91.05511	0.4
93.03413	0.6
95.04976	1.5
97.02897	1.3
98.23237	0.6
105.03396	1.5
107.01331	0.5
111.00825	0.8
111.04451	3.1
115.03935	1.0
119.05025	0.4
123.04441	100.0
124.04813	2.0
125.02328	0.9
135.04369	0.8
139.03912	54.9
140.04210	1.4
143.03384	1.8
147.04430	3.7
151.03914	11.3
153.01845	29.4
153.02937	1.7
154.02185	0.6
161.06017	0.9
163.03943	3.0
165.05524	1.9
175.03973	0.9
181.05000	0.6
187.03925	0.7
189.05457	1.7
193.04968	0.7
205.05003	1.4
207.06586	0.5
217.04968	1.2
229.05019	0.4
231.06534	0.9
235.05981	0.7
247.06087	1.4
253.07152	0.8
255.06505	0.6
269.55725	0.4
271.08295	0.9
273.07590	7.0
285.05902	1.0
291.08636	2.7
301.58673	0.4
443.09601	0.5
575.21069	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	575.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
61.67772	0.3
67.05505	1.3
69.07070	0.7
71.30032	0.5
79.05473	0.7
79.23888	0.3
81.03441	0.6
81.07061	1.2
83.08613	0.4
91.05495	0.9
93.07033	0.5
95.08607	0.9
101.14425	0.3
107.08604	0.5
109.02724	0.3
121.06599	0.5
139.03848	0.3
141.05270	0.6
169.04713	3.8
178.02370	1.6
209.11684	0.5
212.76788	0.3
227.12810	0.4
275.12558	3.6
317.13794	0.8
347.14499	0.4
357.16769	0.4
377.15707	0.4
403.17026	1.5
419.16769	5.2
420.16995	0.6
477.28406	0.8
531.22040	1.4
543.18311	1.5
557.30750	0.7
575.20966	100.0
576.21301	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	575.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30861	0.7
53.23922	0.6
63.00551	0.7
69.03430	1.0
71.30961	1.0
85.02895	0.8
93.07071	0.8
99.87817	0.7
100.11268	1.9
109.10095	0.9
111.04393	0.9
115.22068	0.7
121.06528	1.6
123.04443	7.5
139.03810	0.9
151.03918	1.3
153.01826	3.0
162.02936	4.1
169.04750	0.9
171.68510	0.7
182.15445	1.3
185.04271	3.4
200.46176	0.7
206.04427	0.9
210.14912	1.2
251.54405	0.7
285.07712	1.3
291.09985	0.7
291.15677	1.3
293.08215	0.9
300.49060	0.8
303.08459	1.1
357.89905	0.7
382.99979	1.5
398.02652	0.7
402.16635	0.7
413.04828	29.4
414.05148	2.6
419.13058	1.4
435.20023	1.5
498.70270	0.7
505.20090	1.4
575.11310	12.0
575.24512	100.0
576.10596	1.6
576.24915	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	575.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.9
51.02385	1.0
53.03945	6.5
55.01881	14.3
55.05515	39.3
57.03444	12.6
57.07074	2.3
59.04993	1.2
65.03944	4.7
66.04739	0.9
67.05508	57.8
68.97958	8.5
69.03436	8.9
69.07072	23.6
70.07364	0.8
71.05000	6.7
71.08636	1.4
77.03936	1.1
79.05499	64.3
81.03426	66.9
81.07062	100.0
82.03740	1.2
82.07384	2.1
83.04990	21.7
83.08621	29.3
85.02910	18.5
85.06553	3.4
91.05486	57.3
92.05792	1.2
93.07052	48.6
93.38374	0.8
94.07361	1.2
95.04976	41.5
95.08614	26.9
96.05301	0.8
97.02888	4.9
97.06535	12.3
97.10177	24.1
97.10773	1.8
98.10513	1.0
99.04465	3.4
99.08092	2.2
103.05476	2.1
105.04553	2.2
105.07036	47.1
106.07388	1.5
107.04962	19.3
107.08601	25.7
109.06521	16.5
109.10161	16.4
110.06872	0.9
111.04444	16.4
111.08083	13.8
113.06009	2.0
115.05441	4.7
116.06280	1.3
117.07030	16.4
119.04962	2.3
119.08590	42.1
120.08908	1.2
121.06507	13.6
121.10144	21.2
123.04408	1.1
123.08076	20.4
123.11726	3.7
125.06007	2.8
125.09646	19.4
128.06236	4.0
129.07016	19.7
131.04970	2.3
131.07578	1.3
131.08569	26.2
131.09492	1.7
133.06519	8.0
133.10135	18.2
135.08055	9.8
135.11694	9.7
136.12025	0.7
137.06049	1.7
137.09599	5.5
139.11214	1.0
140.59282	0.9
141.06996	2.8
141.09212	0.9
142.07776	3.9
143.08588	9.4
143.10629	0.9
145.06479	5.1
145.10135	21.1
146.07289	1.4
147.08064	18.5
147.11700	14.4
149.02341	1.5
149.09636	14.1
151.11234	2.3
153.09109	4.8
153.12746	5.9
153.21851	0.8
155.08578	5.3
157.06531	1.3
157.10138	16.7
159.08023	4.8
159.11716	6.7
160.08859	1.3
161.09637	13.4
161.13319	2.4
162.10025	1.1
163.11194	19.6
165.09143	6.1
165.12804	3.5
167.08629	1.7
169.10185	3.6
171.08041	2.1
171.10272	1.4
171.11726	5.4
173.08395	0.8
173.09619	4.7
173.11842	0.9
173.13266	1.8
175.11215	14.3
177.09087	1.0
177.12808	2.5
179.08806	1.0
179.10629	1.2
181.10146	1.8
181.12247	8.7
183.11783	2.5
185.09665	3.2
185.13327	2.9
187.11235	4.2
187.14833	1.5
189.11272	17.4
189.12814	4.0
191.10645	7.2
193.04880	0.9
193.12251	36.4
194.12622	1.1
195.11760	2.8
195.13864	1.0
196.12325	0.9
197.13319	1.4
199.11279	2.6
199.14856	1.1
201.12721	2.0
203.10736	1.5
203.14371	1.5
205.12312	2.7
209.11774	3.6
209.13464	1.2
211.13287	29.5
212.13689	1.5
213.12772	2.1
213.16412	1.4
215.14458	1.6
217.15898	1.4
219.13840	3.4
223.13165	5.2
225.12848	1.1
227.12701	12.2
231.13896	1.7
233.15465	1.4
243.13966	1.2
245.18938	4.7
247.17114	1.0
249.14937	3.5
255.17577	5.1
263.20200	1.6
267.15881	17.1
271.16922	1.2
273.18484	47.3
274.18906	3.3
275.20056	4.1
279.16660	0.9
283.15350	1.8
285.16983	7.2
291.19565	52.9
292.19965	2.9
295.20798	0.9
297.18585	2.4
309.20496	2.4
311.20255	1.3
313.21756	3.7
315.19543	3.5
329.21152	3.1
331.22794	2.1
333.20877	1.3
341.21368	1.0
347.22092	12.5
355.22232	1.3
365.23080	5.8
385.23679	1.5
387.25543	1.3
389.23352	1.3
401.22888	1.0
419.30078	1.3
447.28503	3.5
465.30023	5.9
483.30914	5.6
501.32382	3.4
513.63489	0.9
521.32886	1.2
539.33752	7.2
540.33813	1.1
557.34766	27.1
558.35400	3.2
575.35852	49.9
575.50488	2.5
576.36481	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	575.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.9
52.31127	1.3
53.03947	9.2
55.01872	20.4
55.05514	47.3
55.42885	1.2
55.63647	1.3
56.57206	1.3
57.03441	13.0
57.07080	3.1
59.05008	2.0
59.84408	1.4
63.53715	1.5
65.03944	4.9
67.05508	78.1
69.00441	11.7
69.03439	7.3
69.07068	26.9
71.04987	9.4
71.08640	1.8
79.05499	67.8
80.05831	2.1
81.03423	91.8
81.07060	100.0
83.04989	24.5
83.08624	41.0
85.02910	7.1
85.06532	2.5
91.05486	57.3
93.07049	53.0
95.04975	45.9
95.08612	29.7
96.08974	1.2
97.02901	4.9
97.06527	15.6
97.10172	26.1
98.10499	1.4
99.04446	3.3
99.08115	2.4
103.05479	1.5
105.04541	1.8
105.07037	45.3
107.04951	22.3
107.08604	29.2
109.06526	20.1
109.10165	24.2
111.04441	23.0
111.08077	19.1
113.06049	1.6
115.05444	4.5
117.07020	21.6
119.04968	2.5
119.08586	37.5
120.08891	1.8
121.02854	1.7
121.06516	18.7
121.10146	22.9
123.04426	1.5
123.08070	31.5
123.11724	4.5
123.68108	1.3
125.09637	28.4
128.06239	3.8
129.06993	21.5
131.04871	2.4
131.08580	25.8
133.06516	9.6
133.10146	15.1
135.08055	13.6
135.11668	13.0
137.09631	8.3
141.06999	3.3
142.07782	4.5
143.08563	10.1
143.10666	2.3
145.06514	5.7
145.10115	20.5
147.04425	2.3
147.08064	14.7
147.11681	13.8
149.09627	14.3
149.13223	2.4
151.11169	4.2
153.09132	6.6
153.12723	11.2
155.08589	3.8
157.10156	15.5
159.08080	5.1
159.11731	8.8
161.09651	8.3
161.13260	2.7
163.11186	25.8
165.09109	6.2
165.12781	3.0
167.08621	2.8
169.10133	4.3
171.08034	2.6
171.10233	3.3
171.11725	7.6
173.09621	5.4
173.11783	2.7
173.13304	5.0
175.11180	13.8
177.12741	4.2
179.10803	1.3
179.14348	1.5
181.10181	2.7
181.12248	14.0
183.11729	3.5
185.09631	2.8
185.13234	4.5
187.11185	5.6
187.14725	1.6
189.11232	30.1
189.12775	2.1
191.10681	11.0
191.14357	3.2
193.12273	29.0
195.11792	1.8
199.11166	3.0
199.13103	1.3
199.14931	1.8
201.12785	3.5
203.10741	2.0
203.14296	2.8
205.12213	3.5
207.13702	1.2
209.09825	1.4
209.11705	4.6
209.13454	2.2
211.13290	5.8
213.12692	1.6
215.14294	2.1
217.15829	1.5
219.13817	28.0
221.15515	1.5
223.11398	1.7
223.13084	6.5
227.12752	20.5
227.17931	2.6
229.14268	2.5
231.13799	1.9
237.14723	1.7
245.18993	2.9
249.14857	6.1
255.17479	2.2
257.19009	2.4
259.13159	1.8
259.16904	1.7
263.20117	1.4
267.15903	30.8
273.15176	1.8
273.18494	25.7
274.18933	2.8
275.20099	9.0
275.28812	1.6
283.15424	5.2
291.19553	64.5
292.19934	3.3
295.20355	1.4
297.18628	3.0
309.20673	5.1
311.20041	1.7
313.21548	5.6
315.19516	3.6
329.21155	4.3
331.22610	2.5
341.20975	3.4
347.22125	8.3
349.24045	2.5
355.22604	2.3
365.23291	15.2
367.22803	1.8
369.24371	2.3
373.23740	1.6
385.23740	2.3
390.34717	1.7
403.24533	4.0
429.27274	1.9
433.25815	3.6
447.28555	7.5
455.31561	1.7
465.30191	11.2
483.30942	13.0
501.32135	5.0
539.33447	10.0
557.34766	44.2
558.35315	5.8
575.35846	40.6
575.50305	5.1
576.35455	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	575.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.4
53.03955	7.9
55.01883	13.0
55.05517	49.7
56.90794	1.0
57.03443	12.6
57.07093	8.6
59.04996	3.0
63.83498	1.0
65.03946	5.4
67.05510	100.0
68.05848	2.7
69.03442	6.8
69.06541	6.1
69.07069	31.3
71.05001	18.4
71.08631	2.8
73.06538	1.1
79.05498	73.5
80.05831	2.5
81.03429	20.0
81.07064	99.6
82.07405	2.4
83.04989	15.7
83.08626	29.1
85.02932	5.9
85.06535	8.3
85.10172	1.9
91.05486	73.0
92.05820	2.1
93.07056	68.6
95.04976	23.8
95.08614	59.1
96.08976	1.7
97.02903	4.3
97.06554	12.9
97.10177	16.8
97.75544	1.1
99.07514	1.6
99.08087	6.7
103.05486	1.9
105.04547	3.2
105.07037	58.4
106.07351	1.9
107.04980	13.1
107.08602	42.2
109.06533	14.0
109.10163	30.9
111.04430	6.3
111.08083	9.5
111.11718	2.3
115.05465	4.9
116.06277	1.4
117.07025	27.6
119.08592	45.6
119.09454	2.2
121.06528	12.7
121.10152	25.5
123.08081	9.9
123.11707	9.9
125.09653	15.4
128.06212	6.8
129.07024	18.6
130.07741	2.1
131.04816	1.4
131.08582	36.7
133.06493	6.6
133.10138	32.6
135.08057	12.6
135.11700	14.1
137.09618	4.9
139.07504	1.5
139.11211	3.1
141.07043	7.6
142.07803	4.4
143.08578	22.2
145.06500	4.9
145.10130	30.2
147.08046	4.9
147.11685	20.0
149.09621	14.1
149.13278	6.0
151.11200	7.4
153.09076	2.1
155.08563	10.1
156.09355	1.7
157.10130	21.3
159.08099	3.8
159.11716	21.7
161.09662	7.0
161.13234	7.8
163.11217	13.4
163.14832	2.6
165.06976	1.9
165.12811	3.4
166.07814	1.5
167.08556	3.1
167.10675	1.8
169.10127	13.6
169.12195	1.7
171.08041	1.6
171.10333	2.5
171.11688	13.2
173.09631	6.2
173.11850	2.4
173.13248	11.1
175.11218	7.5
175.14891	4.2
177.12790	3.2
179.10590	1.6
179.14268	1.5
180.06638	1.2
181.10149	4.6
181.12193	1.7
183.11687	11.1
183.13303	1.3
183.13885	1.3
185.09604	2.2
185.13301	6.6
187.11137	4.4
187.14836	4.7
189.11237	8.8
189.12782	3.3
189.16426	2.2
191.10657	2.4
191.14349	1.7
193.10431	2.5
193.12274	10.8
195.11681	6.6
197.13251	8.0
199.11314	1.8
199.13245	2.8
199.14888	3.9
201.12744	3.4
201.16496	2.4
205.10388	1.3
205.12337	1.4
205.15904	2.0
207.11717	2.7
207.13715	1.5
209.11685	4.0
209.13376	5.7
211.13298	7.4
211.14894	2.3
219.13763	1.9
221.13341	2.2
223.13243	2.7
225.16434	2.2
227.12750	15.2
229.19598	1.6
233.15454	1.3
237.16389	3.4
239.18004	2.6
245.19028	2.2
247.20508	1.6
251.12683	2.3
251.16432	1.7
253.14380	3.0
257.19006	5.2
261.18628	2.7
267.15955	5.7
271.20593	2.2
273.18546	9.7
275.20090	24.1
276.20459	2.3
281.22379	1.3
283.15469	4.8
283.20749	1.9
285.16956	2.1
285.22144	3.6
289.21878	1.7
291.19553	15.0
293.21121	5.2
297.22141	1.9
299.23514	6.2
313.21744	2.3
321.22116	2.9
329.20981	2.0
331.22516	2.0
339.23367	1.9
347.22330	4.4
349.23837	3.7
357.24399	2.2
359.25659	1.5
365.23740	2.1
405.26614	1.7
415.30035	3.9
421.25629	7.0
423.27576	1.6
433.31055	10.9
451.32117	9.7
469.33121	5.1
499.33704	2.0
507.34622	3.4
515.37158	1.6
517.35297	18.1
525.35815	28.1
526.35730	3.9
531.36938	2.5
543.36841	34.1
544.37170	3.2
557.37305	9.8
558.38074	1.5
575.38666	30.2
575.50195	8.5
576.38391	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	575.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01871	1.4
55.05511	21.9
56.68556	0.5
57.03444	1.4
57.07077	49.0
58.07407	0.8
62.98285	0.6
65.03939	3.6
67.05505	85.3
68.05834	1.6
69.03071	2.1
69.03490	1.6
69.07069	26.7
70.07404	0.8
71.05000	1.0
71.08631	34.7
72.08968	0.8
76.79144	0.4
77.03938	0.7
79.05495	22.2
80.94867	0.8
81.07058	85.1
82.07392	2.5
82.94568	1.7
83.04985	1.8
83.08619	22.6
84.08968	0.6
85.06554	2.3
85.10181	18.1
87.04472	0.5
91.05485	12.7
92.05791	0.7
93.07046	20.6
94.07367	1.2
95.04970	1.8
95.08607	73.8
96.08931	2.3
96.92239	0.6
97.06535	2.8
97.10172	10.8
99.08096	1.6
99.11738	1.1
104.99270	10.0
105.04543	1.0
105.07016	7.4
105.07644	0.4
107.08587	8.9
108.51618	0.5
109.10155	29.4
110.10482	1.2
111.08099	1.4
111.11706	3.0
112.98496	0.5
113.09660	1.0
113.13319	0.5
119.08577	7.0
121.10151	7.4
123.08070	0.5
123.11716	14.8
125.09675	0.6
125.13262	1.4
131.08571	0.8
133.10124	5.8
135.11676	4.9
136.12004	0.5
137.09688	0.5
137.13245	5.8
147.11673	3.2
149.13274	3.2
151.14865	1.7
153.12714	0.8
160.78247	0.5
161.13280	2.7
163.14851	2.5
164.92078	6.3
165.16454	1.1
175.14853	2.4
177.16435	0.6
181.86526	0.5
186.99553	2.4
189.16328	1.1
220.55380	0.5
221.22676	0.8
239.23708	10.5
244.95303	0.5
245.22697	2.1
246.92546	1.1
246.95187	1.4
247.92299	0.5
263.23706	8.8
268.99820	2.6
292.08389	0.5
313.27310	0.8
319.26483	0.9
328.92578	2.2
329.00623	0.9
346.86014	0.5
368.89398	0.6
374.45938	0.5
401.50632	0.5
482.41544	0.5
557.59650	0.6
569.74365	0.6
575.50281	100.0
576.50647	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	576.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
62.01570	0.2
63.02363	0.6
64.67293	0.2
65.81234	0.2
69.03435	0.4
70.06615	0.3
71.29848	0.3
75.54400	0.2
78.04719	0.3
79.05505	0.2
81.03422	2.2
81.07069	0.3
84.11340	0.2
85.02905	0.4
89.03917	9.0
91.05491	0.8
93.07033	0.3
95.04964	0.2
99.04455	0.2
103.05441	0.3
106.04159	0.5
109.02887	0.7
117.03379	23.3
118.03733	0.5
119.04901	0.2
121.06493	0.3
132.04443	0.9
134.03653	1.6
135.04446	1.3
145.02841	50.5
146.03198	1.2
149.05980	7.7
149.06921	0.2
149.07202	0.3
149.30124	0.2
150.06303	0.3
158.68997	0.2
160.03972	1.2
162.03175	0.3
162.05498	2.6
163.03905	0.5
164.03380	1.3
177.05466	100.0
178.04866	10.1
179.05357	0.2
186.05544	0.6
195.06528	0.5
206.04495	2.1
238.04782	0.3
238.07111	5.1
270.05267	0.2
321.09656	3.3
339.10782	1.8
402.09479	0.3
414.18665	0.3
576.22711	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	576.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.3
58.42284	0.2
63.02372	0.7
63.37505	0.2
67.05494	0.3
69.03439	0.6
69.62192	0.8
78.04731	0.5
79.05474	0.3
81.03419	2.0
85.02924	0.5
89.03920	10.2
91.05492	0.7
97.02926	0.3
106.04202	0.8
109.02905	0.8
110.04212	0.3
117.03386	25.1
118.03702	0.5
124.05254	0.2
127.03866	0.2
132.04478	1.2
134.03644	2.0
135.04436	1.0
136.04008	0.3
139.03885	0.3
145.02852	55.3
146.03186	1.4
149.05983	8.4
155.10942	0.2
160.04013	1.6
163.03912	0.5
164.03412	1.3
177.05472	100.0
178.04834	8.5
179.05293	0.4
184.69792	0.2
186.05495	1.0
195.06532	0.4
197.08400	0.3
206.04495	2.4
211.69188	0.2
238.07109	3.8
268.40616	0.2
311.86148	0.3
321.09756	2.6
339.10812	1.2
576.24103	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	576.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01881	6.4
55.05510	4.1
60.50550	3.8
67.05504	13.0
67.14022	3.9
69.03441	9.6
69.07088	13.0
69.24210	21.6
69.24619	6.8
70.06612	4.9
71.05006	5.1
79.05499	12.7
81.03425	27.1
81.07071	25.5
83.04994	5.6
85.02934	4.7
85.06546	6.9
91.05488	8.0
93.07050	35.8
95.08611	7.2
95.38420	4.3
97.06548	15.5
98.22604	8.5
99.04446	10.6
100.11230	3.9
105.07043	23.3
107.08591	44.9
109.02878	28.5
109.06561	13.9
111.08129	5.7
113.06049	6.1
119.08620	10.1
121.06506	19.2
121.10150	33.5
123.08102	5.6
127.03932	28.4
133.10127	6.0
135.11731	13.4
139.03937	5.3
140.30563	4.0
145.06137	4.2
145.10165	28.9
147.11674	7.6
149.09633	12.0
151.07568	6.7
153.01860	5.2
163.11192	73.1
167.10651	25.0
169.08618	43.6
173.09685	8.8
181.12259	18.4
191.10675	49.7
209.11766	45.3
227.12811	100.0
228.13043	7.3
269.13913	9.3
289.14471	5.1
335.14609	5.8
353.15933	35.6
360.01123	5.2
370.26062	3.6
371.16968	24.9
377.01682	21.4
378.02112	35.9
395.02936	6.5
396.03116	9.1
419.03131	5.5
420.02982	5.3
504.96957	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	576.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	2.8
55.05520	0.9
57.03432	5.6
59.04997	0.6
61.02924	8.5
65.28822	0.7
67.05506	1.2
69.03431	19.5
69.07073	6.5
70.03725	0.7
70.43304	0.9
70.43651	1.2
71.04999	2.9
71.05342	0.6
73.02926	3.0
79.05504	1.3
81.03424	8.2
81.07061	3.3
85.02907	98.7
86.03227	1.4
87.04469	1.4
91.03957	4.7
93.07003	0.7
95.08624	5.0
97.02893	25.5
97.03520	1.2
99.04477	3.9
103.03977	0.9
105.07043	1.5
109.02877	9.0
109.06513	2.4
111.11747	0.7
115.03944	1.2
123.04452	0.9
123.08070	5.5
127.03918	22.1
133.06497	1.7
135.08167	0.7
137.05977	72.6
138.06345	2.1
145.04961	40.6
151.07544	100.0
152.07889	2.1
153.01860	1.3
162.07579	0.7
163.06024	14.2
165.09108	6.4
175.07515	1.1
177.09113	1.6
179.10646	2.2
180.08670	6.4
181.30081	0.7
213.70786	0.7
225.63075	0.6
235.16939	32.5
236.17346	1.0
325.11264	0.8
343.19534	0.8
361.20581	0.8
363.18918	0.6
397.21179	0.6
461.64240	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	576.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	32.3
57.07072	53.8
61.61001	9.5
67.05505	74.7
68.05858	11.2
69.07066	34.8
70.73975	8.5
71.08640	50.3
71.30818	10.0
71.90024	7.5
79.05466	21.2
81.03439	21.7
81.07059	71.6
82.07399	14.6
83.08620	37.7
85.10184	18.7
87.04468	13.6
89.80923	9.2
91.05496	26.6
92.05797	8.8
93.07037	15.1
95.08625	57.3
97.10173	16.3
109.10159	39.6
123.11715	13.0
137.13248	10.4
231.82065	8.5
236.21849	9.3
267.15952	42.1
313.27295	24.5
505.38586	21.1
576.08496	19.8
576.50641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	23.6
57.03427	22.1
57.07085	59.6
60.84705	10.7
61.01644	9.1
63.18188	8.1
63.76384	8.7
67.05509	75.9
67.23810	8.5
69.07059	30.1
69.43772	20.4
69.44184	32.7
71.08617	36.0
79.05499	20.1
81.03427	71.1
81.07056	59.8
83.04982	10.2
83.08614	38.4
85.10173	14.6
89.06073	10.6
91.05497	19.8
93.07023	24.3
95.04964	24.2
95.08595	36.2
95.43750	8.9
96.08981	10.9
96.67127	9.1
97.10165	17.3
105.07030	22.7
107.08572	8.5
109.10139	39.5
119.08603	12.5
121.10139	10.3
141.59560	9.3
156.62703	8.7
157.10234	9.8
193.12230	18.6
200.68849	9.4
225.05290	9.2
229.14352	12.4
267.15918	100.0
267.69858	9.7
286.71536	10.6
308.11246	10.9
313.27414	94.1
483.87808	12.4
505.38852	61.3
543.00726	10.3
576.50403	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33027	1.3
59.21780	1.2
59.68422	1.1
68.00316	1.3
70.95837	3.2
91.05470	2.1
105.06995	1.4
110.11847	1.6
115.05495	1.8
117.07060	1.7
118.06538	21.9
119.06853	1.7
132.04457	2.8
132.08102	5.8
142.06505	1.6
143.07314	2.9
144.08092	14.0
146.06012	57.4
147.06329	3.6
159.09224	7.5
170.06044	3.5
188.07060	100.0
189.07426	6.3
192.06586	5.3
193.06882	2.6
205.09735	32.6
206.09978	2.3
247.49716	1.5
328.85944	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	577.2258
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
71.30265	0.3
98.42227	0.2
109.52995	0.2
111.00585	1.2
162.02905	2.4
169.04749	1.2
293.13571	1.5
335.14819	0.5
375.17929	0.6
377.16098	0.2
419.13193	0.6
421.18301	0.6
437.17972	1.8
515.22522	6.3
516.22705	0.7
517.20605	1.1
548.61694	0.2
559.21765	0.7
577.22552	100.0
578.22906	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	577.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25326	0.3
52.88679	0.3
54.40310	0.3
55.05513	0.4
60.05662	0.5
70.56396	0.3
79.71846	0.4
81.07082	0.5
88.68354	0.3
91.05473	0.5
97.02867	0.4
98.23354	1.0
100.88309	0.3
115.00661	0.4
121.10168	0.4
249.11020	0.8
343.16672	0.4
389.02606	0.4
393.15186	0.5
481.28461	0.4
559.25171	1.4
577.26202	100.0
578.26599	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	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.6
51.24621	0.6
53.03948	7.4
55.01876	17.1
55.05511	58.2
56.05825	0.8
57.03436	17.3
57.07073	2.0
58.11485	0.7
59.05000	1.8
65.03941	9.0
67.05504	71.2
68.05843	1.7
69.03418	7.6
69.07070	29.2
69.76552	2.9
71.04993	12.9
77.03925	1.8
79.05493	72.5
80.05818	1.4
81.03417	75.1
81.07056	68.4
82.03744	1.6
82.07390	2.4
83.04479	1.7
83.04981	32.7
83.08617	50.8
84.05318	0.8
85.02904	38.1
85.06548	4.0
87.04462	0.8
91.05479	74.8
92.05839	2.4
93.03406	1.3
93.07046	59.9
94.07355	1.4
95.04967	100.0
95.08605	39.7
96.08929	0.9
97.02887	4.2
97.06529	10.6
97.10171	15.5
99.04455	14.9
99.08087	3.1
101.05998	1.0
103.05473	3.0
105.04523	2.1
105.07030	58.5
106.07372	1.0
107.04951	19.7
107.08595	45.9
108.08947	1.4
109.06516	15.2
109.10152	16.5
111.04443	23.3
111.08077	18.1
111.11662	0.8
113.05986	3.6
115.05457	4.5
116.02973	0.7
116.06259	1.3
117.07016	15.4
118.07393	0.8
119.04887	1.1
119.08578	42.3
121.06524	9.6
121.10143	34.4
122.10539	1.5
123.04465	1.3
123.08060	10.5
123.11715	7.2
125.06011	2.4
125.09620	17.2
127.07568	1.1
128.06204	1.7
129.05528	1.6
129.07007	17.3
130.07738	1.1
131.05058	0.8
131.08568	29.8
133.06499	5.8
133.10132	25.7
135.08046	8.1
135.11696	10.4
137.09601	5.4
139.03883	1.2
139.07547	1.1
139.11215	4.3
141.07036	2.0
141.09068	1.2
142.07773	4.1
143.08539	3.7
143.10744	0.9
145.06477	1.4
145.10121	25.7
146.10474	1.0
147.08063	8.6
147.11678	29.5
148.11986	1.8
149.02348	32.1
149.03453	2.6
149.09622	39.5
149.13272	2.5
150.02638	1.7
150.10002	0.9
151.11206	3.1
153.09119	1.8
153.12766	2.6
155.08548	3.3
157.10126	16.0
159.08104	1.6
159.11703	9.8
161.09604	3.8
161.13272	3.1
163.11179	31.7
164.11609	1.3
165.09090	0.9
165.12770	9.0
167.10699	1.4
169.10155	3.1
171.10278	1.3
171.11734	3.3
173.09651	2.0
173.11830	1.5
173.13303	4.4
175.03970	0.8
175.11180	20.3
175.14844	1.1
177.12743	3.8
181.12271	3.1
183.11703	2.6
183.13852	0.8
185.13284	2.0
187.11229	3.8
189.11238	14.5
189.12804	1.7
191.10750	2.0
191.14410	1.0
193.04964	13.8
193.12239	56.4
194.05336	1.1
194.12552	1.8
195.13815	0.9
197.13333	2.7
205.12251	7.3
207.13815	1.3
209.13365	0.8
211.13284	56.1
212.13693	1.2
219.06757	0.8
223.13297	66.4
224.13605	2.0
227.12688	3.6
229.19595	3.2
237.14801	1.2
239.17989	3.5
247.20503	3.8
247.65193	0.7
257.18951	9.9
267.15909	17.0
273.18506	1.3
275.20071	67.7
276.20398	4.1
285.16998	5.6
291.19659	1.3
293.21088	31.0
294.21497	1.9
315.23471	0.8
332.37701	0.8
341.06561	1.1
349.23746	9.4
359.07584	0.9
367.24731	6.0
385.09033	3.7
449.30606	1.5
467.31332	1.2
485.32626	0.9
529.87360	0.8
541.35101	2.8
559.36206	12.8
560.36670	1.5
577.13348	20.0
577.37329	65.5
578.13464	2.7
578.37714	6.4
581.76288	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	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
53.03943	4.8
55.01873	10.2
55.05513	31.7
57.03440	11.0
57.07070	2.2
59.04995	1.4
65.03936	4.0
67.05508	56.6
68.05855	0.8
69.03430	5.5
69.07072	25.2
71.04990	7.1
77.03937	1.4
79.05495	55.6
80.05833	1.5
81.03420	51.1
81.07058	100.0
82.07391	1.6
83.04986	18.1
83.08623	29.8
84.08982	0.9
85.02906	20.1
85.06555	4.7
91.05483	57.5
92.05797	1.1
93.07043	38.5
94.07398	1.2
95.01353	0.7
95.04969	40.8
95.08606	33.0
96.05296	1.1
97.02879	1.9
97.06538	9.8
97.10169	7.7
99.04457	2.5
99.08109	2.9
101.05987	0.8
103.05456	2.0
105.04523	1.0
105.07030	45.4
106.07351	1.2
107.04962	12.8
107.08597	25.0
108.08894	0.7
109.06521	19.9
109.10155	12.0
111.04443	6.6
111.08082	14.0
113.06017	2.5
115.05479	2.0
117.07027	9.4
119.04934	1.0
119.08586	35.7
119.09447	1.8
120.08959	1.3
121.06498	6.1
121.10143	21.1
123.04394	0.8
123.08074	11.4
123.11699	11.4
125.06017	1.0
125.09625	6.4
127.07568	1.4
128.06245	1.7
129.06999	11.6
131.08574	19.9
132.08905	1.2
133.06480	3.6
133.10127	20.5
135.08052	5.5
135.11684	9.3
137.09636	4.6
137.13278	1.5
139.07544	0.9
139.11205	1.9
142.07799	2.1
143.08578	2.9
145.06468	1.1
145.10124	12.7
147.08060	6.2
147.11684	30.8
148.12027	1.5
149.09624	14.2
149.10716	1.3
149.13274	6.5
151.11229	2.5
153.09140	0.9
153.12743	1.3
155.08585	2.5
157.10126	12.4
159.08092	1.5
159.11697	8.4
161.09657	2.8
161.13306	3.3
163.01665	0.7
163.11197	10.6
163.14813	1.6
164.11517	0.9
165.09109	1.0
165.12775	8.5
167.10681	0.7
169.10133	3.1
171.11717	3.1
173.09680	1.4
173.13225	4.4
175.11185	14.1
175.14816	1.4
176.11534	0.8
177.12724	3.5
179.14420	0.9
181.12338	1.8
183.11728	2.0
183.13818	1.3
185.13184	1.6
187.11203	1.7
187.14839	1.9
189.11264	6.0
189.12724	1.2
191.10629	2.0
193.12248	45.6
194.12563	1.8
195.13809	2.5
197.13272	1.7
199.14783	0.8
201.13057	0.8
205.12257	1.1
207.13879	1.7
211.13281	46.6
212.13580	1.8
219.13731	0.8
219.17358	0.8
223.13274	9.3
224.13799	0.8
227.12727	4.2
229.14197	0.8
229.19569	2.8
233.19127	0.7
239.18048	2.4
247.20691	5.3
249.14963	0.9
257.18982	6.7
265.21716	1.0
267.15900	18.5
268.16364	1.5
269.17490	2.7
273.18570	2.4
275.20056	52.4
276.20383	3.5
285.16931	14.3
291.19528	5.2
293.21124	13.6
299.20007	1.1
315.23013	0.9
317.21173	0.9
349.23727	17.8
350.23972	1.2
367.24927	3.8
435.27579	0.7
440.64368	0.8
449.30576	2.7
467.31531	2.9
485.32501	2.3
515.32794	0.7
541.35107	5.7
559.36346	17.3
560.36865	1.3
577.37372	36.3
578.37885	4.2
584.42322	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78269	1.9
53.03944	7.9
55.01870	3.9
55.05515	37.9
57.03432	10.5
57.07066	5.6
59.04996	3.7
64.12328	1.8
65.03954	5.2
65.24113	1.9
67.05505	94.1
68.05828	2.9
69.03432	3.6
69.07069	29.9
69.94249	6.1
71.04998	15.7
71.08636	2.5
79.05493	70.5
81.03413	23.8
81.07054	100.0
83.04981	7.6
83.08619	20.4
85.06561	8.9
85.10206	2.3
91.05477	58.8
93.07043	70.1
95.04966	14.4
95.08600	64.9
95.13228	1.7
96.08935	2.4
97.06517	12.8
97.10165	16.3
99.08112	3.5
105.04513	2.2
105.07030	56.7
105.62850	1.8
107.04993	4.6
107.08592	36.6
109.06538	6.4
109.10150	34.1
111.08099	7.0
115.05436	2.6
117.07029	19.7
119.08576	44.5
121.06521	7.2
121.10154	32.7
123.08055	6.0
123.11675	10.9
125.09615	11.3
128.06258	5.4
129.06984	16.4
130.07834	2.9
131.08559	36.8
133.10127	28.3
135.08063	7.1
135.11697	19.2
137.09630	4.9
137.13231	4.4
139.11191	3.6
141.06960	2.8
142.07799	3.3
143.08546	15.5
145.10110	29.2
147.08102	2.9
147.11699	23.9
149.09650	7.9
149.13248	9.5
151.11206	3.7
153.09058	2.4
155.08534	7.6
157.10143	14.3
159.08113	1.9
159.11682	18.2
161.13232	10.7
163.11156	4.6
163.14824	3.8
165.12784	4.3
167.08614	2.1
167.10704	4.0
169.10176	7.8
171.11682	11.3
172.12032	1.9
173.11853	3.2
173.13280	13.1
175.11246	2.8
175.14851	7.2
177.12689	4.5
181.10133	4.1
183.11690	6.1
185.13306	9.7
187.14845	7.3
189.11201	11.6
193.12184	9.5
195.11777	2.5
195.13666	2.4
197.13322	6.7
199.14847	4.6
201.16447	2.8
203.14407	2.2
209.13271	2.8
211.14856	4.9
225.16531	2.3
227.12733	12.9
237.16528	2.3
239.16310	3.0
243.21173	2.0
247.16931	3.3
259.20532	2.8
261.22198	8.6
267.15884	23.2
275.19910	2.5
277.21719	4.3
284.29587	2.2
285.22064	3.0
287.20297	3.5
287.23569	3.8
289.21570	8.6
291.19791	2.6
301.25235	9.3
303.23117	5.1
317.24777	3.8
333.24350	3.2
335.25836	13.8
359.25793	3.2
363.25372	7.3
381.96338	2.1
417.26324	2.3
417.31412	5.6
435.32532	13.3
453.33636	12.8
471.34668	7.9
491.35562	2.9
509.35345	4.5
519.35815	2.3
527.37238	47.9
528.37396	5.5
545.38287	38.8
546.38934	5.3
559.39697	8.4
560.39453	2.6
577.40839	10.7
577.50250	2.5
578.40729	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	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01869	8.5
55.05510	65.7
55.86838	2.7
57.03437	11.9
57.07065	9.7
59.04980	3.1
65.03941	6.5
65.43568	2.6
67.05506	100.0
68.05881	3.2
69.03420	4.7
69.07070	35.9
69.26360	6.5
69.26760	16.9
71.04983	12.7
71.08618	7.1
79.05497	64.3
81.03406	4.2
81.07055	96.9
83.04971	7.7
83.08620	28.0
85.06557	5.8
87.33565	2.9
91.05482	63.7
93.06475	4.5
93.07048	65.0
95.04988	15.0
95.08609	50.3
97.06534	5.0
97.10172	35.6
99.08086	3.1
102.72485	2.7
104.97076	3.0
105.06308	3.1
105.07024	52.0
105.07684	5.0
107.04948	7.9
107.08590	45.3
109.06518	10.9
109.10164	28.9
111.08089	10.1
115.05505	3.6
117.07009	20.5
119.08582	38.8
121.06513	8.1
121.10135	25.3
121.31026	3.5
123.08033	5.1
123.11698	9.1
123.79971	2.9
125.09612	30.2
128.06252	5.1
129.07022	15.1
131.08569	31.2
132.08922	3.2
133.10167	21.8
135.08089	7.2
135.11694	14.2
137.09598	6.3
137.13223	4.2
138.14777	3.0
139.11293	3.3
141.06946	4.7
143.08565	18.9
145.10110	20.9
147.07994	5.3
147.11707	16.7
149.09625	8.8
149.13261	6.4
151.11215	7.4
155.08533	10.1
157.10109	12.1
159.08023	3.9
159.11696	11.6
161.09637	3.8
161.13264	12.0
163.11203	9.0
163.14809	3.4
169.10124	8.8
171.11716	11.3
171.84073	2.8
173.09729	3.0
173.11665	4.2
173.13243	8.3
175.11079	4.0
175.14864	8.9
177.12776	5.8
179.14302	5.4
181.10161	6.1
183.11717	6.3
185.13268	11.6
187.14774	10.0
189.11232	19.9
189.12723	4.0
189.16405	8.4
191.10640	3.5
195.11739	5.4
197.13199	6.4
199.14859	9.0
201.16434	5.4
211.14894	6.0
213.16440	6.9
215.14279	4.2
225.16492	5.7
227.12782	33.7
227.17989	3.6
228.13133	3.6
235.14732	4.2
261.22119	4.4
263.20074	4.0
267.15823	3.9
275.23645	3.9
277.21628	8.9
281.25711	3.5
291.22925	3.0
301.21936	5.4
301.25293	19.7
335.25732	2.9
407.24033	6.4
409.30991	3.7
417.31543	3.9
421.25665	6.2
426.37292	3.2
427.31952	4.3
435.32443	16.8
453.33545	12.4
457.23212	3.1
471.34341	6.7
501.35641	12.4
509.35977	3.6
519.36798	42.1
520.37329	7.1
527.37262	40.1
528.37646	7.6
545.38367	45.7
546.38599	8.7
559.40167	17.1
577.41107	50.7
577.50488	4.9
578.40735	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	578.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01870	3.0
55.05523	14.6
56.73201	1.9
57.03431	9.4
57.07066	3.4
65.03923	2.2
67.05507	35.2
69.00376	5.1
69.00787	13.0
69.07082	8.7
71.04980	14.7
71.08604	2.3
79.05495	27.7
81.02982	3.7
81.03420	35.1
81.07056	55.8
82.03751	2.2
82.89132	2.1
83.04993	5.6
83.08624	15.0
85.06538	4.6
91.05485	26.3
93.07051	16.4
95.04970	21.7
95.08615	11.4
97.06519	3.9
97.10167	5.3
97.65366	1.9
99.08091	2.3
105.07048	15.1
107.04967	11.7
107.08601	14.0
109.06524	7.9
109.10171	6.4
111.08074	4.3
117.07034	6.4
119.08596	11.3
121.06519	8.4
121.10146	7.7
123.08062	2.4
123.11710	7.4
125.09669	4.9
129.07007	7.4
131.08575	11.6
133.10149	9.7
135.08008	2.9
135.11685	4.7
142.07793	2.6
143.08577	2.1
145.10129	4.1
147.08057	4.9
147.11662	4.8
147.75638	2.2
149.09622	3.6
149.13264	3.7
151.11191	3.3
157.10167	5.9
159.11742	3.1
161.09616	2.8
163.11160	3.8
175.11159	4.6
177.12817	2.2
179.08817	2.1
189.11266	3.4
193.12274	8.0
210.65324	2.5
211.13261	2.2
219.13866	5.4
267.15942	22.7
293.21106	2.9
294.21368	3.1
301.19986	6.0
343.22723	6.5
369.24216	5.0
417.26224	8.2
425.26965	3.7
435.27399	28.3
436.27380	2.7
443.27991	10.0
461.28992	100.0
462.29108	12.2
493.31516	10.8
578.37115	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	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.05509	23.4
57.03429	19.1
67.05505	55.6
69.07079	20.0
69.89007	15.3
71.04996	6.3
79.05499	48.3
81.03421	6.4
81.07067	53.4
82.07402	6.0
82.33523	3.4
83.04986	5.4
83.08622	17.0
85.59855	4.4
91.05479	36.2
93.07057	47.9
95.04958	9.6
95.08612	57.2
97.06537	6.0
97.10178	6.3
98.23395	4.2
98.40578	4.1
105.07030	17.9
106.07368	7.4
107.04968	5.9
107.08603	36.0
109.10160	10.8
117.07059	7.9
117.86595	3.5
119.08585	19.5
120.08939	5.2
121.06496	4.4
121.10158	22.8
123.11663	3.8
129.07112	5.1
131.08562	12.7
133.10107	12.9
135.11705	40.8
145.10101	28.0
147.11711	6.2
149.13274	3.8
163.11197	35.7
177.36180	4.0
181.12279	5.5
227.12790	74.2
228.13094	4.9
243.21349	4.4
250.22169	3.9
253.12242	5.3
254.12701	4.7
260.42517	4.5
261.22168	6.7
267.15912	5.9
267.42679	4.2
283.15350	29.5
335.25815	100.0
336.26175	13.4
438.07236	3.8
454.33612	4.9
472.34735	4.3
477.44052	3.7
497.66571	4.5
528.37286	13.6
543.36847	49.4
544.37238	7.2
546.38684	11.1
578.40131	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	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.5
57.03423	12.2
62.26877	3.5
67.05506	46.4
69.07063	13.1
69.50726	13.7
71.04995	4.8
79.05498	38.0
81.07061	44.2
83.04978	4.5
83.08617	14.9
91.05476	16.3
93.07037	47.9
95.04978	7.5
95.08615	43.6
95.09186	5.8
97.06512	5.3
105.07025	16.1
107.08601	33.2
109.10163	10.8
117.07024	17.9
119.08579	13.4
121.06566	5.8
121.10127	17.2
135.11703	47.2
140.76001	3.9
145.10115	22.7
163.11209	52.2
181.12224	8.3
185.59563	3.6
227.12801	100.0
260.68777	3.9
261.22211	6.8
283.15439	57.9
284.15460	4.4
335.25827	85.0
336.25897	4.4
387.68860	3.8
391.26224	4.6
446.08298	4.2
527.53064	3.9
528.38385	3.7
543.36884	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00334	0.5
53.03938	0.7
55.01867	1.6
65.03950	0.9
67.01888	0.6
67.05494	1.1
68.28898	0.5
68.99778	3.4
69.66756	2.5
70.00964	0.5
70.06588	0.6
81.03423	2.8
85.02910	1.1
89.03951	0.9
91.05482	0.8
93.03407	1.0
95.04971	1.5
97.02877	0.6
97.25331	0.5
99.04453	1.3
105.03342	1.1
107.04957	4.0
109.02886	3.1
111.00820	2.5
111.04456	3.4
115.05450	0.7
119.04945	2.2
121.02894	2.0
123.04430	42.1
127.03916	100.0
128.04222	1.9
131.04924	2.1
135.04417	27.2
136.04726	0.9
137.02370	2.8
139.03905	51.0
140.04181	0.8
141.06975	1.3
143.04947	0.9
145.06508	0.9
147.04393	6.1
149.02332	5.1
149.05989	1.6
151.03912	7.6
153.01822	0.9
153.07069	0.9
155.04857	0.8
159.04413	3.9
161.06036	3.7
163.03908	32.9
164.04401	0.9
165.05510	6.6
167.03407	6.5
169.05070	1.0
169.06490	1.9
173.05978	3.5
175.03949	3.2
175.07632	0.6
177.05490	3.7
179.03415	4.2
179.06998	0.6
181.06500	1.0
183.04347	0.7
187.03903	5.7
189.05426	2.6
191.03392	10.3
193.04979	3.7
197.06032	3.1
201.05428	6.3
202.05989	0.5
203.03407	7.5
203.07013	1.9
205.04982	2.7
207.04570	0.6
207.06543	1.6
213.05447	2.2
215.03302	1.4
215.07098	2.9
217.05057	1.5
219.06566	0.6
225.05489	1.9
229.04947	6.6
229.27803	0.6
231.06621	1.2
233.04427	6.9
241.04939	1.7
243.06593	4.3
245.04440	6.2
247.06038	15.5
247.77342	0.5
251.05444	0.9
253.04999	0.8
255.06593	1.7
257.04501	10.3
258.05200	1.0
258.15384	0.6
259.05981	7.8
269.04291	2.7
271.06003	17.4
272.06369	1.1
273.07593	1.8
275.05505	16.3
276.05814	0.8
283.06012	6.8
287.05490	19.4
288.06064	1.1
289.07059	8.9
290.07224	0.9
291.08612	11.4
292.08987	0.7
297.07724	1.0
299.05643	4.4
301.07062	13.3
302.07245	0.7
303.08698	1.7
391.08603	0.6
409.09158	20.5
410.09439	1.6
411.10815	3.3
421.09097	0.7
427.10312	5.1
439.09973	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	579.1496
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
50.49522	1.7
60.05643	6.4
60.60284	1.7
68.99801	5.7
70.06587	8.7
71.30398	2.7
77.27927	1.6
79.05515	1.8
81.03430	2.8
94.93021	10.3
95.05000	1.9
96.92828	3.2
107.04913	4.6
109.02900	4.4
111.04443	3.8
116.07092	4.2
119.04935	3.2
121.02894	2.2
121.25075	1.8
123.04427	44.0
127.03927	100.0
130.46817	1.9
131.04922	2.8
135.04442	25.4
137.02319	4.2
139.03915	52.1
147.04437	7.1
149.02341	4.2
151.03960	10.8
158.09164	2.6
161.06017	4.6
163.03914	33.4
165.05453	5.9
167.03435	8.6
169.06602	3.4
173.06084	2.4
175.03943	4.8
175.11940	20.3
177.05473	2.8
179.03418	4.7
185.44753	1.8
187.03914	7.6
189.05550	3.2
191.03433	12.2
193.04996	5.7
197.06006	4.6
201.05449	9.6
202.89056	11.6
203.03387	12.1
204.87019	8.6
205.04971	3.3
206.86810	2.9
212.85106	7.1
213.07518	4.1
215.03401	1.7
215.07143	3.7
221.82597	1.8
229.04982	8.4
231.06514	3.0
233.04453	6.0
242.83296	2.2
243.06483	3.7
245.04482	9.9
247.06084	17.0
257.04492	9.3
259.05957	12.2
266.12320	2.0
271.05978	20.6
275.05478	17.8
283.05951	6.2
287.05493	24.1
289.07080	11.2
291.08713	10.6
296.81076	3.4
299.05475	5.8
301.07053	13.4
306.90182	9.2
383.24142	1.9
409.09012	22.5
410.09317	2.0
427.09909	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	579.1492
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
59.19794	1.3
65.03915	1.8
67.05505	2.1
68.99797	5.5
71.29916	1.9
72.08134	2.0
79.05489	2.0
81.03417	4.1
84.04484	1.5
85.02902	2.9
89.06019	1.9
91.05480	2.8
93.03396	2.1
95.04897	1.9
99.04483	1.6
103.05494	1.7
105.03400	2.5
105.07063	2.0
106.90736	1.3
107.04966	2.8
109.02924	2.1
111.00811	3.3
111.04413	2.2
119.04937	4.6
121.02897	1.8
123.04430	100.0
124.04768	2.9
127.03919	67.8
131.04861	2.3
134.21478	1.4
135.04413	26.6
137.02393	3.7
139.03902	32.7
147.04433	14.6
149.02357	3.5
149.05960	2.2
151.03905	6.1
153.01848	2.0
155.04889	3.0
156.03366	2.7
159.04433	4.4
161.05956	6.2
163.03902	33.2
165.05490	7.4
167.03429	5.6
169.05122	1.5
169.06445	2.0
173.06009	3.9
175.03836	3.6
177.05450	2.0
179.03413	6.8
179.04829	1.7
179.06902	1.7
181.04997	2.0
183.26772	1.6
185.05934	3.6
187.03905	3.9
189.05417	5.1
191.03372	8.1
193.04915	7.9
193.08617	2.4
197.05954	4.2
201.05489	5.2
203.03387	14.9
205.04994	3.3
213.05481	2.8
217.04948	1.8
229.04955	9.2
231.06474	2.0
233.04431	2.4
241.04938	1.8
243.06541	2.0
245.04453	15.1
247.05989	15.2
251.03099	1.7
255.06487	3.0
257.04480	18.3
258.05215	2.0
259.06055	6.6
269.04352	4.3
271.06064	19.4
273.07233	2.0
275.05536	13.6
283.06046	8.3
285.07660	2.5
287.05502	43.5
288.05814	2.4
289.07025	6.7
291.08588	7.8
299.05325	8.9
301.07071	10.0
303.08597	3.6
313.07077	1.8
327.12198	4.4
409.09143	35.6
411.10742	3.4
427.10211	5.0
435.10748	4.6
439.10223	4.1
482.21695	2.0
579.26837	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	579.1497
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03954	1.1
53.92337	0.5
55.01874	1.5
65.03947	1.3
67.01863	1.2
67.05495	0.5
68.99789	5.2
69.32595	3.6
71.63551	0.5
77.03935	1.0
79.05508	0.9
81.03426	3.3
81.03818	0.5
83.04996	0.6
89.03921	1.2
91.05476	0.9
93.03410	0.9
95.04966	1.5
99.04445	1.3
105.03396	1.0
107.04977	4.2
109.02862	3.4
111.00797	3.0
111.04444	2.5
119.04973	1.6
121.02867	1.6
123.04436	42.3
124.04845	0.9
127.03923	100.0
128.04243	2.3
129.06984	0.8
131.04939	2.3
135.04422	27.3
137.02368	2.7
137.05946	0.8
139.03905	50.5
140.04282	1.1
141.06996	0.6
143.04951	0.7
145.02885	0.6
145.06476	0.7
147.04413	6.2
149.02335	5.4
149.05994	2.2
151.03918	8.1
153.01891	0.9
153.07082	0.7
155.04977	1.0
157.06532	1.1
159.04416	3.8
161.05980	3.5
163.03914	33.5
164.04323	1.1
165.05492	5.9
167.03410	9.6
167.04784	0.4
169.06526	2.4
173.05997	2.6
175.03845	3.6
177.05446	4.0
179.03406	3.5
181.06519	0.9
183.04420	1.3
185.05957	1.4
187.03893	6.5
187.07561	0.7
188.04332	0.9
189.05574	2.9
191.03397	11.6
191.04999	1.0
193.04951	4.4
197.06012	4.2
201.05470	8.1
201.66440	0.6
202.05922	0.7
203.03398	10.1
203.07066	2.4
205.04997	2.6
207.06538	1.3
213.05467	1.4
215.03491	0.9
215.07072	3.1
217.04951	2.0
225.05446	1.3
229.04982	7.1
231.06490	1.3
233.04431	5.2
237.05249	0.7
241.05025	0.8
243.06487	5.1
245.04443	5.1
247.06033	14.2
247.08566	0.7
248.06493	0.6
251.05525	1.5
253.05077	1.1
255.06462	1.3
257.04449	9.6
258.05063	0.6
259.06018	7.6
269.04486	2.2
271.06033	16.8
272.06412	1.5
273.07715	0.7
275.05496	16.1
283.05994	6.2
287.05496	22.5
288.05859	1.4
289.07065	9.6
291.08673	10.9
299.05481	3.3
301.07071	12.3
303.08807	1.1
323.99249	0.6
371.08041	0.5
391.08032	0.8
409.09174	19.9
410.09833	1.2
411.10809	2.6
421.09244	1.1
427.10245	5.9
521.09894	0.6
560.73407	0.7
604.06293	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	579.1495
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
51.02386	0.7
51.35317	0.6
53.03949	1.2
55.01874	2.0
59.07290	0.8
67.01858	0.7
68.69583	0.6
68.99780	5.4
70.06609	1.0
70.53786	1.2
70.88713	0.7
76.07902	0.7
81.03426	4.2
89.03933	1.1
90.72827	0.7
95.04983	1.4
95.55049	0.6
99.04470	1.5
103.05483	0.8
105.03407	0.8
107.04970	3.5
109.02852	3.6
111.00786	3.2
111.04458	2.9
115.05460	0.7
119.04949	1.5
121.02876	1.3
123.03709	0.6
123.04427	39.6
127.03916	100.0
128.04268	2.3
131.04932	2.3
135.04417	30.3
136.04733	1.3
137.02335	3.3
137.05927	0.8
139.03900	51.2
140.04260	1.4
141.06978	0.9
143.04964	1.5
147.04425	6.9
149.02338	3.8
149.05981	1.6
151.03897	7.4
153.01808	1.1
153.06920	0.6
157.06496	0.9
159.04407	3.3
161.06001	2.8
163.03900	34.2
164.04234	1.4
165.05542	4.8
167.03409	8.4
169.06479	1.7
173.06001	2.7
175.03929	3.0
177.05466	3.2
179.03423	3.8
179.06898	0.7
181.06474	0.8
183.04355	1.1
185.05986	1.1
187.03870	6.6
189.05548	3.1
191.03406	11.2
193.05032	4.5
197.05981	4.0
201.05438	6.9
203.03433	8.5
203.07056	2.1
205.05026	3.3
207.06538	1.9
211.68048	0.7
213.05447	1.1
215.03494	1.2
215.07043	2.6
217.04938	1.5
225.05498	1.0
229.04927	6.0
231.06596	1.1
233.04506	5.9
241.05009	1.6
243.06529	4.2
245.04459	6.7
247.06013	14.5
251.05524	1.2
255.02600	0.8
255.06470	1.2
257.04434	9.2
258.05115	1.2
259.06033	9.0
261.03836	0.8
269.04468	2.1
271.06000	18.5
275.05502	16.2
283.05988	8.2
287.05499	22.2
288.05869	1.4
289.07056	10.3
291.08585	11.1
299.05450	3.4
301.07062	12.1
302.07462	1.3
303.08621	1.3
311.36911	0.7
353.77148	0.9
409.09137	20.3
410.09494	1.4
411.10727	2.8
421.08838	1.2
427.10196	5.3
497.28864	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	579.1497
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
50.28076	0.6
51.02376	1.1
53.03928	1.0
55.01865	3.4
63.06140	0.5
63.92110	0.6
65.03925	1.2
66.27851	0.5
67.05492	1.3
68.99788	9.8
69.22670	3.1
69.23074	1.4
70.06586	0.5
77.03909	1.7
79.01844	1.2
79.05499	1.5
81.03412	3.6
85.02899	1.6
89.03915	1.2
91.05471	2.4
93.03416	1.2
95.01240	0.6
95.04988	2.8
95.29726	0.6
97.02904	1.4
99.04479	1.0
103.05487	0.9
105.03382	2.1
105.04485	0.8
107.04951	6.1
109.02894	3.4
111.00803	7.0
111.04465	2.8
113.21974	0.6
115.05437	1.6
117.03362	1.3
119.04937	4.9
121.02845	3.0
123.04433	100.0
124.04762	2.7
125.02329	0.6
127.03919	99.7
128.04257	2.1
129.07013	0.9
131.04926	1.9
133.02818	1.1
133.06511	1.0
135.04422	34.3
136.04718	0.8
137.02350	5.7
137.05952	1.1
139.03906	42.2
140.04199	1.0
141.06938	1.1
143.03452	1.0
143.04939	1.6
145.02881	1.2
145.06520	1.7
147.04402	19.0
149.02370	4.3
149.05930	3.0
151.03922	8.6
153.01834	16.1
153.07004	0.8
155.04935	1.4
157.06519	1.3
159.04427	4.8
159.51570	0.7
161.02367	1.8
161.05971	6.7
163.03912	49.2
164.04366	1.1
165.01823	1.2
165.05487	10.3
167.03387	11.5
167.04697	1.1
169.06538	2.1
171.03027	0.7
171.04387	1.2
173.05980	4.6
175.03896	5.8
175.07565	1.4
177.05470	5.3
179.03371	8.6
179.07010	1.1
181.05037	2.1
183.04475	1.2
185.06009	2.2
187.03889	8.7
187.07507	1.2
189.05513	7.3
191.03389	21.9
192.03839	0.7
193.04988	7.2
197.05981	3.9
199.03830	0.6
199.07474	0.6
200.04749	0.7
201.05467	11.0
203.03406	20.4
203.07115	1.8
205.04942	6.6
207.02902	1.1
207.06549	2.7
209.06004	1.0
211.04019	1.0
213.05423	4.8
215.03477	2.9
215.07068	2.4
217.04962	4.3
219.06500	1.3
225.05556	1.6
227.03386	1.2
229.04958	12.7
230.05634	0.9
231.02913	1.4
231.06618	2.3
233.04436	9.0
233.06508	0.6
234.04797	1.0
241.04893	3.6
243.06500	4.9
245.04446	17.1
245.06920	0.9
247.06020	20.0
248.06366	1.1
251.05693	1.9
253.05144	2.4
255.06506	3.2
257.04456	28.2
258.05045	4.3
259.06015	9.0
265.05093	1.6
269.04474	9.8
270.04898	0.7
271.06015	24.0
272.06424	1.6
273.07660	1.9
275.05487	30.2
276.05914	0.8
283.06027	8.9
284.06424	0.6
285.07648	2.1
287.05499	53.9
288.05997	2.5
289.07059	10.2
289.09982	0.9
290.07581	0.7
291.08646	10.0
295.06137	1.2
299.05560	9.8
301.07047	11.6
303.08685	3.8
307.06122	0.8
308.00894	0.8
313.07031	1.5
325.07364	1.0
331.08127	0.9
333.09753	0.8
341.10275	1.0
345.07632	1.0
391.08136	8.4
409.09174	47.5
410.09537	3.0
411.10651	2.9
421.09256	2.1
427.10260	6.9
435.10797	4.9
439.10147	4.6
453.11874	0.8
529.24451	0.7
579.16064	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	579.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01868	4.2
55.05505	4.5
65.03945	2.9
67.05507	22.2
68.99789	3.2
69.03429	7.6
69.07064	5.3
71.01355	1.9
71.05009	1.7
72.08172	1.8
79.05498	24.3
79.07311	1.3
81.03418	52.7
81.07056	19.8
83.01342	2.8
83.04987	4.9
83.08630	4.4
85.02905	2.4
91.05482	23.3
93.07043	21.4
95.04972	44.4
95.08604	13.7
97.02898	3.9
97.06545	3.4
97.10204	2.1
99.19374	1.3
103.05474	2.3
105.03435	1.5
105.07035	18.3
107.04961	13.2
107.08609	9.4
109.02846	1.9
109.06535	4.1
109.10188	6.2
111.00775	1.7
111.04432	4.6
115.05449	1.6
117.07032	7.8
119.04917	2.7
119.08562	9.7
121.02856	8.9
121.06522	17.0
121.10162	8.6
123.04429	5.3
123.08075	3.9
123.11711	2.1
125.02349	2.3
127.03915	4.7
129.07031	7.7
131.04973	1.9
131.08574	16.7
133.06514	9.7
133.10150	4.1
135.08076	4.0
135.11713	6.6
137.06010	4.3
137.09612	2.4
139.03906	34.9
141.05446	2.9
141.07039	2.4
143.08549	4.0
145.06467	2.5
145.10112	5.9
147.04366	2.7
147.08051	13.8
147.11702	2.9
149.05977	4.9
149.09639	5.0
151.03944	9.4
151.11110	1.6
153.05406	2.9
155.08516	2.3
157.06471	2.4
157.10094	2.9
159.08032	1.8
159.11732	3.5
161.09653	1.5
161.13248	1.6
163.03908	3.8
163.07489	2.6
165.05508	12.9
167.03368	7.0
169.10065	2.0
171.08012	1.9
171.11687	2.0
173.06020	2.7
173.09679	2.1
173.13280	1.9
175.03917	12.0
175.07458	3.3
175.11270	1.5
177.05444	5.1
179.06996	1.8
189.05472	5.3
191.03409	1.6
191.07077	9.5
193.04971	5.0
197.09691	2.4
199.07607	1.6
199.11212	1.4
199.14879	1.4
201.05417	2.5
203.07141	1.7
207.06470	2.9
215.06952	1.5
217.08575	2.4
219.06599	4.3
253.08981	1.3
263.28906	1.2
300.54529	1.5
395.21942	2.0
411.25439	1.8
421.23730	1.5
439.24771	5.7
461.30359	1.4
463.31796	1.9
471.29095	5.4
481.29932	1.4
482.33249	1.8
489.29968	24.9
490.30307	3.1
507.31052	100.0
508.31229	9.8
525.32159	44.6
526.31891	3.0
543.33203	24.4
544.33545	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	579.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05331	1.5
53.03947	7.1
54.78878	1.9
55.01875	7.6
55.05513	47.5
57.03448	11.2
57.07074	10.0
59.04991	1.8
65.03944	3.8
67.05508	93.2
69.03426	5.1
69.07073	40.6
69.57081	9.0
71.04993	17.7
71.08641	2.7
72.34174	1.5
77.03917	1.6
79.05494	57.4
80.05819	2.1
81.03414	17.6
81.07058	100.0
82.07364	2.2
83.04993	8.0
83.08622	26.9
85.06557	10.8
85.10187	3.8
91.05487	49.8
93.07045	59.6
95.04965	14.7
95.08608	65.7
97.06538	10.7
97.10159	19.4
98.22666	2.7
99.08075	3.2
105.04533	1.7
105.07034	47.4
107.04988	5.6
107.08585	35.5
109.06547	5.1
109.10161	27.8
111.08117	3.8
111.11738	2.0
117.07017	12.7
119.08582	33.3
121.06551	2.0
121.10143	28.4
123.08099	4.8
123.11697	11.5
125.09595	11.9
129.07027	11.7
131.08553	25.0
133.06487	2.0
133.10132	23.7
133.18564	1.7
135.08063	2.8
135.11700	12.6
135.36595	1.8
137.09641	3.4
137.13280	5.1
139.11198	2.9
141.06985	3.2
143.08559	9.0
145.10139	20.9
147.08081	2.7
147.11670	16.0
149.09628	6.5
149.13240	8.9
151.11130	2.0
155.08559	4.6
157.10127	9.5
159.11700	6.5
161.13261	10.5
163.11208	2.9
163.14867	4.9
165.12761	6.5
167.10687	2.1
167.28253	1.7
169.10257	2.1
171.11673	6.6
173.13306	6.6
175.11203	2.7
175.14838	8.2
176.27567	1.6
177.12645	1.7
177.16339	3.0
181.10150	2.4
181.12265	2.1
183.11731	3.5
185.13263	5.5
187.13330	2.0
187.14833	6.0
189.11232	11.0
189.16383	4.4
193.12271	6.0
195.11711	3.3
197.13330	3.4
199.13298	2.4
199.14902	3.3
201.16399	2.6
205.12193	2.1
207.13786	1.8
207.72136	1.8
209.13237	1.8
213.14714	2.1
215.17990	2.7
223.14810	2.3
227.12741	14.4
229.14363	3.0
241.14275	3.3
241.17960	3.0
245.22643	4.6
253.19534	1.9
257.17340	2.7
263.23737	4.2
267.15897	23.2
269.22586	2.7
273.21814	2.0
287.23779	4.3
289.21619	4.6
289.25214	4.1
291.23196	7.1
301.25006	3.9
303.26862	9.4
305.24789	6.9
337.27377	21.0
343.26541	3.2
349.06909	1.7
361.27567	4.6
363.29236	3.0
365.26804	9.4
375.29071	2.0
409.34372	2.3
417.26721	2.1
419.33078	5.7
435.27481	4.8
437.34036	17.1
455.35135	16.3
473.36252	14.2
511.37872	6.2
521.38678	5.1
529.38904	74.3
530.38934	6.4
547.39899	44.6
548.40387	3.6
561.42139	9.6
579.38184	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	580.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.2
69.19066	5.1
78.04736	0.7
79.05479	1.1
81.03411	1.4
81.07059	1.3
89.03923	9.6
91.05471	2.3
93.07056	1.1
103.05441	1.4
105.07035	1.4
107.04987	1.4
107.08595	1.1
109.10152	2.4
115.34586	0.8
117.03380	20.1
121.06539	1.0
131.04901	1.2
132.05711	1.3
133.06499	1.6
134.03656	1.7
135.04410	2.1
139.17445	0.7
145.02844	53.4
146.03145	1.7
146.43129	0.7
146.53716	0.8
149.05974	8.9
161.05963	2.1
162.03053	0.6
173.05980	1.3
173.11813	1.0
177.05467	100.0
178.05788	3.1
178.07143	0.7
181.08549	1.0
186.05498	1.8
191.07034	1.2
192.07767	1.9
193.08617	2.2
209.08118	1.2
225.90784	0.7
229.14337	4.3
252.09822	1.1
328.11847	1.7
383.24136	2.5
404.17014	2.6
580.21521	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	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	29.1
57.07080	16.7
67.05513	60.0
69.07083	32.5
69.83192	36.8
79.05502	35.7
81.07074	60.8
83.08617	23.6
91.05471	25.2
93.07038	54.5
95.08610	75.5
98.22659	12.6
105.07028	15.7
107.08611	38.0
109.10159	22.9
119.08547	19.1
121.10149	17.3
133.10123	19.2
135.11685	33.6
145.10146	35.8
150.81090	15.8
163.11179	49.1
181.12244	17.1
184.72154	11.3
227.12753	100.0
269.21759	12.0
283.15378	72.1
314.93048	11.7
337.27286	93.5
545.38251	76.0
580.39050	45.1
581.39966	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	39.1
57.03439	28.0
60.67262	11.1
62.20366	11.3
67.05513	100.0
69.07070	32.0
79.05497	63.9
81.03426	61.4
81.07055	78.6
83.04984	20.6
83.08643	28.3
84.29713	11.6
91.05498	65.4
92.68791	10.7
93.07050	90.1
95.04984	26.5
95.08611	67.9
97.95944	12.0
104.60164	11.3
105.07052	50.3
107.08598	41.9
109.06522	14.9
109.10156	28.0
119.08566	31.1
121.10146	35.9
123.11713	18.9
129.07063	13.2
131.08592	13.5
133.10167	24.2
135.11684	17.5
169.02850	12.1
175.11130	13.8
193.12292	45.5
211.13237	60.2
267.15952	16.2
269.17508	13.5
285.16940	51.1
335.25861	86.2
374.40405	12.6
468.63489	13.2
542.49304	12.3
545.38080	63.3
547.85547	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.5
57.03432	3.5
57.07078	35.9
57.97923	2.6
58.53924	2.5
64.33708	2.3
65.03934	8.0
67.05509	20.7
69.07068	6.1
79.05484	18.6
81.03419	11.9
81.07068	18.0
83.04988	65.9
83.08614	8.7
85.02902	9.7
85.06532	2.7
91.05490	23.1
93.07041	16.4
95.04970	6.1
95.08631	15.6
98.98447	5.8
105.07035	19.3
107.04896	2.9
107.08591	6.7
109.10132	3.9
115.05468	5.7
117.07004	7.7
119.08571	13.5
121.10143	7.0
124.94547	3.0
128.06198	4.0
129.06996	6.8
131.08571	6.3
132.09360	4.6
133.10133	9.8
135.11682	2.6
141.07014	9.7
145.10178	3.0
147.08107	3.6
147.11699	37.3
149.09688	2.9
151.01541	7.6
157.10126	7.1
159.08054	9.9
169.07620	6.9
171.80284	3.2
175.01523	11.3
175.11163	3.7
190.29172	2.9
193.12239	18.0
211.13344	19.5
227.04672	5.2
239.04652	10.8
261.22037	4.1
267.15894	4.4
285.16989	14.4
335.25833	22.2
337.02374	42.6
362.06366	2.7
381.23300	3.1
393.08633	17.0
401.18930	2.6
425.06628	2.7
469.11615	11.9
525.17993	70.0
545.38318	17.2
580.38513	2.9
581.24261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.05523	22.6
57.03439	15.2
67.05508	58.2
69.07021	49.7
71.04977	5.2
79.05497	50.4
81.03428	59.3
81.07061	71.4
83.04980	19.5
83.08636	22.3
85.02905	15.6
91.05476	37.9
93.07034	41.2
95.04971	21.8
95.08609	36.4
97.02882	5.1
97.06499	6.8
105.07059	31.3
107.04926	4.5
107.08585	21.4
109.10169	20.4
111.08104	11.2
117.07015	9.1
119.08584	21.4
121.10171	18.0
129.07001	10.8
131.08577	14.1
133.10118	19.7
135.11694	10.3
145.10123	7.8
147.11740	16.1
149.09552	5.2
149.13298	4.5
151.07439	5.4
151.52495	5.4
157.10150	14.5
159.11710	5.5
165.12752	4.8
171.49730	4.7
175.11150	13.4
187.14862	4.8
193.12267	44.2
211.13297	72.3
214.31482	4.7
217.78349	4.7
261.22101	6.8
267.15884	16.6
285.17050	64.2
335.25839	100.0
336.26208	6.3
456.58896	6.1
545.38434	75.8
546.38281	6.7
590.53986	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	581.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01870	1.3
55.05504	0.8
65.03944	1.4
66.46532	0.6
67.05512	1.3
68.99794	7.8
71.01358	2.3
71.29819	0.8
71.30196	0.8
79.05493	6.3
81.03419	1.2
85.02895	1.6
89.03891	1.0
91.05488	14.9
93.03416	0.9
95.01342	0.8
95.04966	2.9
103.05475	1.8
105.07021	1.8
106.04133	0.9
107.04955	6.5
109.06536	1.3
111.04472	1.6
117.03388	3.8
118.04176	1.2
119.04945	5.2
121.02854	3.6
121.06512	3.7
123.04398	1.6
124.05199	1.9
125.05999	2.8
127.03882	0.7
133.02847	1.6
133.06476	0.9
134.03619	2.6
135.04419	11.1
136.05185	0.9
137.05995	2.4
139.03899	0.9
139.07541	5.0
140.04756	1.0
143.04959	1.3
145.02821	1.9
145.06538	0.9
146.03654	1.0
147.04427	3.7
149.06013	4.0
151.03911	33.6
151.04980	1.7
151.07524	2.0
153.01845	5.4
153.05463	2.8
161.05998	1.7
162.03056	1.0
163.03928	19.6
164.04340	0.9
167.07062	5.5
173.05981	1.0
175.03798	1.0
177.05487	4.8
178.06255	4.9
179.03386	1.0
179.07022	4.3
180.04207	6.9
181.04944	3.1
191.07034	1.3
193.08614	0.9
195.06538	13.2
196.07298	3.3
201.05479	2.1
203.07068	2.3
205.04861	1.0
207.06540	3.3
208.03606	2.7
209.08038	1.3
219.06499	3.4
223.06018	100.0
224.06403	3.6
225.07472	0.9
247.06007	2.6
249.07635	1.1
251.12575	1.1
263.07172	1.1
272.06232	0.8
325.06998	0.8
355.11707	8.4
357.13412	0.8
371.11087	0.9
373.12680	1.0
383.11630	1.0
385.11252	4.2
387.10913	0.9
401.12015	1.3
581.17694	1.3
581.25140	2.3
600.66046	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	581.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03943	1.1
56.05040	0.6
59.86734	0.3
64.26332	0.4
64.61827	0.3
69.03429	1.2
69.47264	1.5
69.47670	0.8
70.06597	0.8
72.75770	0.3
79.01855	2.1
81.03424	4.3
84.04504	12.7
85.02905	1.9
86.06038	0.4
91.05495	2.5
93.07054	5.2
95.04976	1.1
97.02901	1.8
98.22629	0.4
99.04446	0.5
102.05561	0.9
103.05473	2.9
107.01323	0.8
107.04981	0.6
109.02907	1.9
121.06508	100.0
122.06033	1.1
122.06837	2.9
123.04437	3.2
124.04710	0.8
125.02351	1.6
126.05511	1.0
127.03922	6.2
128.04292	1.8
128.80130	0.3
129.04408	0.6
130.04025	0.5
130.05005	12.3
135.04427	1.5
138.09138	19.1
139.03888	5.3
139.09496	0.6
140.04250	1.2
141.04393	0.5
143.03436	3.6
147.04430	0.6
148.07608	0.8
151.03885	0.8
153.01834	60.1
153.02905	3.5
154.02184	1.2
163.03923	1.5
163.07553	0.7
164.04285	0.9
168.03636	0.4
171.02884	2.6
171.04135	0.4
173.05887	0.4
176.07089	0.6
180.82155	0.4
194.08066	0.4
203.03194	0.4
204.10181	1.8
210.74490	0.3
220.06027	0.9
221.12846	3.8
229.04912	0.4
250.10770	12.4
251.11105	0.6
259.05896	0.6
267.13394	50.6
268.13776	1.7
271.05844	0.5
273.06888	0.4
277.05939	0.6
287.05432	1.0
288.05835	0.7
289.06296	0.6
291.08383	0.5
292.08951	0.4
297.06070	2.9
302.07312	0.5
309.14438	1.2
314.81369	0.4
315.07098	1.2
357.14514	0.5
411.09863	1.0
416.13031	0.4
429.18643	1.8
434.14325	0.7
452.15240	1.6
545.16998	0.5
563.18066	0.5
564.17120	2.0
581.19751	9.7
582.19727	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	581.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.8
53.03951	2.4
55.01878	9.8
65.03612	1.6
65.03945	24.2
67.05519	4.4
69.03455	0.9
70.11322	0.9
70.15759	2.9
71.01360	1.7
79.05499	3.2
81.03452	1.3
82.04188	4.8
85.02917	3.4
91.05499	3.1
93.03407	11.3
94.04222	1.5
95.01337	4.0
95.04968	4.2
97.06518	1.0
103.05450	2.3
105.04543	2.0
105.07027	2.2
107.04964	7.0
108.02090	5.1
108.11217	0.9
110.02973	1.6
110.03672	18.7
111.04455	22.2
115.05449	1.1
119.04959	1.3
121.02881	19.5
121.03888	2.0
121.06513	2.8
123.04447	2.7
125.06004	23.6
128.06224	1.1
131.04930	2.6
133.02890	1.7
133.06525	1.4
135.04439	4.0
137.02351	1.0
137.06001	3.4
138.03139	2.0
144.05838	1.0
145.06493	4.2
147.04445	2.2
147.08121	1.2
149.05977	2.8
151.03931	61.7
151.05040	6.4
152.04340	1.3
153.05475	89.2
154.05884	1.1
161.05975	3.2
163.03961	2.1
165.05646	1.7
165.07040	3.5
167.07079	7.1
167.08434	1.7
173.06013	2.9
174.06755	1.5
175.07614	1.5
177.05498	2.6
177.07007	1.0
178.06270	4.7
178.07819	5.5
179.07112	1.6
179.08464	4.3
181.04976	3.6
181.06520	5.9
183.08113	1.6
185.05966	1.2
187.07576	1.1
189.06992	1.6
190.07813	2.2
191.06963	1.1
191.08632	1.8
193.06564	1.6
194.07283	4.2
195.06554	2.7
195.08113	2.7
196.07292	1.8
196.08873	1.1
198.06915	0.9
199.60336	1.0
201.05476	1.5
202.06255	2.3
203.07019	3.3
205.04922	1.6
205.06540	4.6
206.07277	3.9
207.08060	8.8
208.08765	1.7
209.05977	1.6
209.09529	1.4
210.06693	1.3
211.07494	1.4
215.07054	3.2
217.06561	1.4
218.07320	2.9
219.08096	4.1
220.05353	1.0
221.05989	4.0
221.09671	2.8
222.06757	2.8
223.07593	4.9
224.08356	7.7
225.09132	1.7
233.06053	1.6
234.06779	6.3
235.07507	9.0
236.08359	4.4
237.05469	2.1
237.09204	6.3
239.07001	1.3
239.10706	1.7
241.08702	1.9
245.08125	13.9
247.07585	2.2
248.08543	1.1
249.05530	2.2
249.09169	7.1
250.06226	1.8
251.06976	5.3
252.07809	24.0
253.08517	4.3
259.07635	1.1
262.06299	2.6
263.07092	6.5
263.14148	1.0
264.07867	4.6
265.08557	6.1
266.09387	3.1
267.06772	2.0
267.10187	11.6
269.08203	2.5
276.07990	1.2
277.08591	3.1
279.06534	3.6
279.10107	1.3
280.07315	6.7
280.09979	0.9
281.05246	1.5
281.07944	6.9
291.06592	1.6
292.07303	3.5
293.08142	5.0
294.09009	1.2
295.09650	19.5
296.10321	4.1
297.07428	2.0
303.06744	0.9
305.08023	2.0
307.09674	3.1
308.06519	1.0
309.07547	2.7
309.10910	0.9
311.09195	1.3
312.09732	1.2
313.10709	1.0
318.08771	1.1
321.07568	1.9
323.09155	89.1
324.09531	6.4
325.10715	3.3
327.12216	2.7
335.09225	2.9
336.09729	2.1
337.10681	4.1
339.12201	2.9
349.10706	2.2
351.12299	1.3
353.10284	4.3
355.11768	100.0
356.12106	6.6
367.11783	10.7
368.12540	3.0
385.12769	2.6
438.38266	1.1
511.65244	1.0
577.94403	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.6
55.01878	8.1
55.05513	58.5
57.07070	7.5
57.35395	3.1
58.27821	2.9
59.05005	5.0
59.87566	2.5
60.94296	2.4
65.03946	5.3
67.05512	37.1
69.03431	18.6
69.07063	22.0
71.04993	7.7
79.05492	28.2
81.07059	31.1
83.04990	23.9
83.08624	60.6
85.06552	9.4
87.04500	4.9
91.04915	3.8
91.05478	55.3
91.06014	4.3
93.07045	44.5
95.04987	14.7
95.08611	41.6
97.06538	45.4
97.10152	3.3
98.23360	9.5
99.08089	3.3
103.05477	5.6
105.07034	82.7
107.04958	3.4
107.08594	58.2
109.06522	8.4
109.10164	22.6
111.08132	5.2
113.09674	22.5
115.05489	7.3
117.07005	18.3
119.08586	86.8
121.06530	7.1
121.10143	42.2
123.08094	16.4
123.11726	4.2
125.09615	21.3
128.06221	18.5
129.06976	28.0
130.07779	8.4
131.08569	40.1
133.06520	3.7
133.10149	38.8
135.08081	5.3
135.11732	9.4
137.09616	5.1
139.11209	30.1
141.07011	16.0
142.07797	41.8
143.08588	56.1
144.09355	8.4
145.10123	51.5
147.08078	4.4
147.11687	13.5
149.09663	9.9
149.13271	3.6
152.06288	3.4
153.07028	9.4
153.12808	16.0
154.07819	3.3
155.08577	32.1
155.10638	18.2
156.09364	30.0
157.10144	59.5
158.10901	10.6
159.08072	9.7
159.11731	23.5
161.09634	5.4
161.13261	4.6
165.07048	11.8
166.07880	5.6
167.08595	16.6
167.10730	5.3
168.09395	12.2
169.10141	40.5
170.10913	11.1
171.11705	33.8
173.09689	7.8
173.13283	25.7
175.14877	5.0
179.08575	33.7
179.14334	7.0
180.09300	8.7
181.10146	25.4
181.12120	18.3
182.10966	9.6
183.11705	37.1
184.12515	9.7
185.09633	5.6
185.13275	19.7
187.11244	3.5
189.12714	3.1
191.14304	6.3
192.09410	9.8
193.10114	26.3
194.10902	15.2
195.11745	28.3
195.13853	9.0
196.12527	8.4
197.09633	4.4
197.13290	28.6
198.13844	3.1
199.14841	25.2
203.08672	3.4
205.10170	8.4
206.10916	16.3
207.11705	28.5
208.12468	10.6
209.13283	38.1
211.14865	10.5
215.14313	3.2
217.10138	6.2
217.15965	8.1
218.10971	4.8
219.11613	13.4
220.12593	8.7
221.13327	23.5
221.15453	10.9
222.14038	6.5
223.14784	20.9
224.15691	2.9
225.16484	5.9
227.14403	5.3
229.10153	5.8
230.10945	4.9
231.11693	8.5
232.12444	7.1
233.13242	17.8
233.15366	4.2
234.14108	6.4
235.14786	19.0
236.15536	5.8
237.16489	8.7
239.17868	4.1
243.11768	7.1
243.17609	5.4
244.12405	5.9
245.13359	11.0
246.14125	7.8
247.14839	15.7
247.16994	4.5
248.15500	4.5
249.16470	9.1
251.17975	6.0
257.13446	5.6
257.18942	6.0
258.14203	4.3
259.14951	8.7
260.15659	4.5
261.16388	9.8
263.18060	10.5
265.19659	6.2
269.18970	4.3
271.14694	6.7
273.16470	12.8
274.17065	4.1
275.17923	6.7
277.19727	7.7
283.14886	6.1
283.20422	14.9
284.15494	6.1
285.18921	13.7
287.17734	3.7
289.19543	7.6
295.14993	5.2
297.16122	3.2
299.20544	14.1
303.21207	7.0
307.20639	4.2
313.19687	4.0
315.21133	4.1
317.22382	3.8
327.21414	3.7
329.22604	4.4
339.20981	4.7
341.22482	3.4
345.22379	3.2
355.24332	5.7
364.23917	4.2
365.24460	2.9
373.25513	7.8
377.24841	4.8
383.25989	10.5
395.27368	6.1
413.28391	8.3
485.46603	3.1
489.33655	6.0
563.39056	8.2
581.39954	100.0
582.40588	11.9
600.11713	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	581.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01874	5.0
55.05511	23.7
59.05015	2.4
65.03961	2.1
67.05510	20.6
69.03439	10.0
69.07069	10.1
71.04992	6.9
74.13244	1.9
77.08771	1.7
79.05493	17.4
81.03391	1.8
81.07051	15.2
83.04967	11.7
83.08630	25.0
85.06551	4.5
85.97009	1.8
87.96243	1.7
91.05484	29.2
93.07041	28.1
95.04977	10.5
95.08614	21.9
97.06538	32.1
105.07030	41.1
107.08598	43.7
109.06550	5.0
109.10174	15.1
111.08118	5.5
113.09646	14.8
115.05486	2.8
117.06999	11.6
119.08586	41.8
121.06525	5.5
121.10161	20.1
123.08060	8.9
123.11762	2.1
125.09647	12.3
128.06197	12.1
129.07013	22.3
130.07802	4.1
131.08588	22.8
133.06557	2.0
133.10117	20.7
135.11708	7.5
137.09630	4.3
139.11185	12.3
141.07028	8.6
142.07787	16.2
142.13478	1.8
143.08586	32.5
144.09351	17.8
145.10130	30.5
147.08047	3.4
147.11673	8.8
149.09618	4.1
153.07001	3.7
153.12759	7.2
154.07803	2.9
155.08559	11.6
155.10640	16.3
156.09314	12.1
157.10130	50.2
158.10780	3.3
159.08061	5.8
159.11690	15.2
161.09674	3.8
161.13234	2.9
163.11157	2.3
165.07053	6.1
166.07808	3.6
167.08583	11.8
168.09370	5.0
169.10120	27.2
170.10922	6.3
171.11687	27.1
173.09662	4.1
173.13245	11.6
175.11206	2.0
175.14857	3.0
177.12775	2.8
178.07808	2.7
179.08583	14.2
179.14383	3.7
180.09373	8.0
181.10146	16.3
181.12227	21.3
182.10966	8.7
183.11664	17.7
184.12442	5.8
185.09714	3.6
185.13261	18.3
187.11201	2.4
187.14877	3.7
192.09407	6.5
193.10127	16.1
194.10957	11.2
195.11717	28.8
195.13794	8.7
196.12469	7.6
197.13272	17.3
199.14816	10.3
201.16508	2.2
205.10162	5.5
205.15897	3.4
206.10925	6.8
207.11659	16.4
208.12485	4.5
209.13271	26.8
209.15311	2.6
210.13882	3.4
211.14816	12.3
213.12796	4.1
213.16327	2.1
217.10237	2.7
217.15939	2.8
218.10925	4.4
219.11711	6.3
220.12474	3.7
221.13283	13.4
221.15433	10.8
222.14030	3.4
223.14835	14.7
225.16415	6.0
227.14284	2.7
228.14969	2.1
229.10245	2.6
229.15921	2.8
229.35989	2.0
231.11693	6.2
232.12495	4.5
233.13248	7.1
233.15361	4.3
234.14105	2.5
235.14803	12.3
236.15547	5.2
237.12769	2.4
237.16451	4.6
239.14453	3.1
243.11679	3.0
244.12582	3.9
245.13298	6.9
245.15532	3.4
246.14082	3.6
247.15050	9.2
247.16814	10.6
248.15552	2.3
249.16325	6.6
251.17964	18.4
255.17543	2.7
257.13348	2.8
257.19168	3.0
258.14035	4.0
259.14905	7.0
260.15454	3.1
261.16418	6.7
262.17349	2.3
263.18088	5.7
265.19611	4.4
269.13309	2.6
269.18991	25.7
270.75970	2.3
271.14664	4.0
272.15601	3.1
273.16171	3.7
273.18674	3.4
275.17865	4.4
277.19543	3.4
281.19122	6.0
283.14868	3.5
283.20605	5.1
285.16174	3.8
287.17575	2.6
287.20343	2.2
289.19562	4.6
293.19110	2.9
295.20529	4.0
299.20377	10.5
307.20721	4.5
309.22189	2.3
311.20166	7.2
312.20975	14.5
317.22675	4.2
323.17767	2.0
329.22791	2.1
333.22070	2.8
335.23462	4.4
339.21350	2.4
355.24390	2.7
364.23947	2.2
373.25275	8.3
377.24850	2.3
395.27402	6.5
413.28436	13.3
451.02274	2.4
475.32574	2.2
505.34143	2.6
523.35468	2.3
563.38745	17.1
564.39557	2.9
581.39905	100.0
582.40137	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	581.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18986	0.5
55.05504	0.9
55.88624	0.4
57.03425	0.6
57.07067	2.0
67.05502	1.6
68.38271	0.5
69.07065	1.2
69.67561	2.2
71.08627	1.9
79.05517	1.2
81.07066	2.6
83.08605	1.0
90.15107	0.6
91.05506	1.1
93.07031	0.8
94.76941	0.5
95.08616	2.0
97.10171	0.7
98.23344	0.7
105.07034	0.9
107.08580	0.6
109.10181	1.1
121.10166	1.0
127.21281	0.5
208.74092	0.6
243.39848	0.5
248.79065	0.5
251.12538	1.2
269.13605	7.5
269.16229	0.6
295.28262	0.6
313.27441	1.0
325.16141	4.1
537.37622	1.9
563.39105	2.3
581.40222	100.0
582.31311	1.0
582.40552	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	582.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89351	0.6
51.02383	1.3
52.89590	0.6
53.03939	3.2
53.13983	0.6
54.96772	0.7
55.01863	1.8
55.30185	0.7
65.03952	1.7
67.05463	0.8
71.30447	0.8
77.03931	0.9
78.04706	1.1
79.05483	2.1
81.03410	1.0
81.07051	0.7
89.03916	6.3
91.05482	17.0
93.07045	12.1
95.04952	4.8
96.76572	0.6
103.05476	12.0
105.04523	1.6
105.07035	1.4
106.04174	0.9
107.04949	6.7
109.96946	0.7
115.05454	1.4
117.03380	19.2
117.06966	1.4
118.04190	1.2
119.04935	9.6
120.05725	2.8
121.02870	5.1
121.06510	55.7
122.06894	1.6
123.04427	1.3
124.80022	0.7
128.06206	0.8
131.04962	6.2
132.05698	2.7
133.02849	4.4
133.06517	2.0
134.03621	1.6
134.05992	5.8
135.04384	3.4
136.07585	4.2
137.05994	5.2
139.03899	2.1
143.04892	0.9
144.05634	1.3
145.02846	47.2
145.06491	2.3
146.03183	1.2
147.04414	14.4
148.05205	1.2
149.05986	15.2
150.06670	0.8
151.03885	2.0
151.07527	3.3
153.05437	1.1
154.06238	1.0
157.06487	1.1
159.04343	1.6
160.05174	1.8
161.05986	2.3
162.03062	1.0
162.05522	1.5
163.03917	7.2
163.07629	0.8
164.07083	4.1
165.05492	1.1
166.06270	0.7
167.07050	11.2
170.03616	1.5
172.05209	1.2
173.06041	3.3
175.03954	2.6
175.07509	1.4
176.04639	0.9
177.05472	100.0
178.05905	3.7
179.07063	2.4
179.86514	0.7
181.05006	5.9
181.08597	3.2
182.09364	0.7
184.05212	0.8
184.07315	2.0
187.07559	2.5
189.05489	0.8
189.09042	0.9
191.07048	6.2
192.06439	10.7
192.07828	1.9
193.08656	0.9
198.03117	1.6
201.05461	7.3
203.07024	0.8
206.08141	1.6
207.06549	2.3
209.08087	9.3
210.08717	1.0
213.05470	47.3
214.05936	2.4
215.07111	5.1
219.08089	1.3
221.05951	1.1
230.08167	1.7
231.06525	2.0
233.06018	0.8
233.08083	3.0
234.06688	1.3
235.09732	0.7
247.07559	1.0
251.07010	1.0
251.09074	5.1
252.09869	2.7
263.07010	1.3
264.07880	1.1
273.07571	3.0
275.06958	1.4
277.08618	1.0
279.10159	1.2
289.08682	0.7
291.10001	0.9
292.07291	0.9
295.09656	0.9
300.12180	1.2
305.11465	0.8
307.09634	1.7
310.14276	0.8
312.12308	29.5
313.12314	1.4
314.13892	5.5
320.06799	1.3
333.11215	2.9
335.09079	6.3
336.09430	1.3
339.12152	2.0
350.13818	2.9
352.92084	0.8
355.11935	1.1
367.11755	13.3
368.11816	1.0
385.12454	1.1
415.13754	0.9
427.13733	2.2
472.17773	3.5
487.76724	0.8
504.20096	3.7
564.22229	4.0
565.20471	2.1
582.23871	2.4
601.16034	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	582.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57523	1.2
53.03928	1.1
55.01870	1.8
57.03437	17.5
59.05010	2.0
60.04520	1.9
61.02929	2.6
61.12608	1.2
65.03941	1.4
69.03431	69.1
73.02921	4.1
79.05469	1.9
81.03419	3.9
85.02908	58.0
86.03217	1.5
87.04471	43.3
91.05478	29.0
91.06012	1.9
97.02893	79.0
98.03246	1.8
99.04436	3.6
101.02399	1.5
103.03942	1.5
105.07045	2.1
107.04937	2.8
109.02910	3.0
109.43798	1.4
111.04467	1.3
115.03929	86.1
116.04261	1.6
117.05498	2.6
121.97958	1.1
123.04403	1.7
124.93444	1.2
127.03949	8.8
133.04962	100.0
134.05307	2.4
140.42395	1.3
145.04962	16.3
161.04459	2.6
163.06001	9.0
169.04947	3.3
175.06128	1.5
175.07536	1.6
205.08676	2.3
223.06143	1.6
223.09709	5.4
241.07091	3.5
259.08167	9.6
277.09201	3.7
295.10208	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	582.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	19.4
55.05505	27.3
60.48092	9.1
67.05515	18.3
69.03432	23.9
69.07070	12.9
70.56473	15.2
71.05006	11.1
79.05479	45.7
81.03416	75.9
81.07045	47.1
82.22867	8.3
83.04989	9.4
91.05489	40.1
93.07050	93.3
94.31829	8.2
95.04967	21.9
95.08601	18.0
97.02885	27.0
97.06504	24.7
99.04465	33.9
105.07038	93.8
107.04951	29.3
107.08607	100.0
109.02879	21.6
109.06525	30.2
111.00838	9.7
111.08132	9.5
119.08615	48.7
121.06521	83.3
121.10136	32.6
124.17059	11.2
127.03963	19.4
127.07576	17.8
129.06992	13.5
131.08585	19.1
133.06494	21.1
133.10150	22.1
135.04478	9.7
135.08061	12.4
135.11691	16.6
139.07574	15.5
143.08549	22.1
145.10112	43.9
147.08064	11.6
147.11705	65.2
148.74690	8.8
149.09624	17.2
151.03958	14.0
153.05493	13.3
156.09322	12.7
157.10135	37.1
159.11674	10.7
161.09727	10.4
163.11192	66.5
171.11710	49.3
173.09641	17.4
175.11214	12.7
178.04886	9.7
181.12193	16.1
189.12743	30.4
191.10727	55.5
199.11194	29.9
207.13850	29.0
209.11684	14.0
217.12308	70.3
227.12810	21.5
231.88405	8.1
233.11610	13.0
235.13316	68.7
279.44907	8.8
324.09778	12.0
339.18530	13.2
351.15799	9.7
353.15872	27.7
379.17563	21.1
475.01462	9.4
582.27545	20.9
582.36096	13.2
583.27393	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	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.05507	29.4
57.03435	14.4
57.07087	7.8
67.05499	63.0
69.07039	17.9
70.22664	7.1
79.05495	39.5
81.03427	50.4
81.07068	52.1
83.05000	12.9
83.08618	27.3
83.34460	7.0
84.18795	7.6
85.02907	22.5
91.05473	35.6
93.07055	23.4
95.04965	26.2
95.08607	45.9
105.07032	29.9
107.08588	26.6
109.10176	15.4
111.08091	11.1
119.08617	32.3
121.10132	22.9
123.11720	8.5
131.08566	9.1
133.10133	12.1
145.10167	7.2
146.97897	7.2
147.11690	17.9
157.10107	20.1
175.11197	11.8
193.12209	44.7
211.13298	87.9
221.15312	11.2
252.48538	6.8
267.15921	8.9
276.14877	8.1
285.16956	54.0
337.27322	86.9
529.38525	8.9
547.39886	100.0
548.40204	7.2
582.40198	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.01871	3.7
55.05512	41.9
55.05764	3.8
57.03440	27.3
57.07072	6.4
65.03947	3.2
67.05505	95.2
69.03413	4.6
69.07072	33.2
70.09238	5.4
70.09561	6.0
71.05004	9.2
71.08649	3.8
74.90991	2.8
78.67989	2.8
79.05489	46.0
81.03075	1.7
81.03420	82.4
81.07059	100.0
83.04990	25.2
83.08623	40.1
85.02894	28.5
85.06552	4.3
91.05486	52.1
93.07043	35.8
95.04964	36.1
95.08612	50.7
97.06551	8.7
97.10169	13.2
99.08080	5.2
105.07026	38.3
107.04958	8.8
107.08590	18.3
109.06537	4.6
109.10148	20.3
111.08109	13.3
113.05966	4.0
117.07018	3.7
119.08594	27.5
119.57349	3.1
121.10133	17.0
123.11759	7.9
125.09641	3.2
129.07034	13.6
131.08578	13.5
133.10156	18.1
137.09630	3.8
137.13339	4.0
142.07825	5.0
143.08553	3.9
145.10117	5.5
147.08060	3.4
147.11699	20.9
149.09651	7.0
157.10138	19.3
165.12743	5.7
175.11256	18.8
184.87698	3.6
193.12254	53.9
194.12634	5.3
211.13290	94.2
211.15166	6.0
240.30315	3.0
263.23486	4.2
267.15881	22.2
269.13635	4.1
285.16949	76.4
286.17404	6.4
337.27350	97.1
338.27737	8.6
465.21579	3.1
529.38617	9.9
547.39893	67.2
548.40210	9.4
582.40637	83.6
583.41199	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	582.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.4
55.05515	32.6
57.03447	17.0
57.07087	9.2
57.65614	5.4
64.19277	6.0
67.05513	79.9
69.01141	44.2
69.01546	10.1
69.03428	10.0
69.07072	24.9
71.04987	6.7
73.11192	5.9
79.05500	36.9
81.03421	49.4
81.07059	70.5
83.04984	16.6
83.08607	30.4
85.02914	19.3
91.05508	44.4
93.07019	31.8
95.04984	19.4
95.08611	51.3
97.06552	8.8
97.10176	9.9
105.07037	36.6
107.08591	21.8
109.06548	8.9
109.10160	21.0
111.08100	12.9
117.07058	6.3
119.08590	44.7
121.10141	17.6
129.07024	10.8
131.08562	15.3
133.10164	19.6
133.97975	6.3
135.11671	7.7
145.10167	10.1
147.08096	10.6
147.11722	21.1
157.10089	7.8
165.09120	7.1
170.76205	6.8
171.11659	9.4
173.13254	9.9
175.11273	10.3
189.16170	6.1
193.12221	40.7
195.11880	6.3
211.13306	58.0
221.15532	8.9
254.69106	7.6
263.23529	9.5
267.16000	8.5
277.19012	6.1
283.26331	16.8
285.16998	43.0
286.17285	6.2
292.36185	6.1
337.27405	100.0
338.27878	8.5
458.39658	6.6
491.35138	9.8
529.38678	9.3
547.39948	92.9
548.40320	9.1
582.40381	19.7
583.41779	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	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.6
55.16903	2.0
57.03431	4.4
57.07081	3.5
59.03454	1.9
59.05002	2.0
67.05505	32.9
69.07070	9.0
70.96092	5.0
71.04990	5.1
74.27282	2.0
79.05495	18.7
81.03437	5.3
81.07057	22.2
83.04989	2.3
83.08635	5.9
85.06516	2.4
91.05480	15.0
93.07033	17.6
95.04992	4.8
95.08611	17.8
97.06528	2.1
105.07004	11.8
107.08619	7.5
109.10159	18.1
109.17946	2.0
117.07020	2.5
119.08575	10.6
121.10161	9.4
131.08553	4.8
133.10141	8.0
135.11755	6.1
137.09689	3.2
143.08548	4.3
145.10176	7.6
147.11700	3.7
157.10139	2.6
167.10629	2.4
175.11275	2.9
183.11723	2.6
193.12289	4.6
211.13342	4.4
221.15413	6.3
267.16074	2.9
269.13629	6.7
285.17114	6.1
287.18738	4.8
290.33994	2.0
318.33093	2.1
325.16299	2.8
326.16354	4.4
335.25760	10.2
337.27493	7.9
352.24188	3.2
366.10004	2.2
489.35724	31.0
490.35803	5.0
491.35327	2.7
547.39783	18.6
548.39874	2.6
564.39514	8.3
582.40521	100.0
583.41235	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	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
65.03943	24.2
67.05511	4.8
73.81216	1.9
77.35137	1.8
79.05502	4.5
81.03419	2.0
82.04211	7.2
85.02898	2.0
91.05486	4.2
93.03421	11.5
95.01338	3.1
95.04971	2.1
98.22610	4.9
103.05479	3.1
105.03476	1.9
105.07023	3.6
105.98463	1.5
107.04973	3.8
108.02108	3.2
109.06578	1.9
109.26206	1.5
110.03665	22.3
111.04449	26.8
115.05456	2.2
121.02881	14.3
121.03956	2.5
121.06524	5.0
123.04421	3.0
125.05993	28.9
131.04921	3.1
133.02800	2.3
137.05960	13.5
138.03197	2.9
145.02859	2.4
145.06418	2.4
147.04402	4.8
147.08025	2.7
149.05948	3.5
151.03911	37.2
151.05051	4.1
153.05467	100.0
154.05800	2.4
159.08054	5.1
159.15912	1.7
161.05978	8.0
163.07565	1.7
165.07072	2.8
167.07034	12.3
169.80620	1.6
175.07567	6.6
177.05559	5.8
178.06041	2.7
179.07082	2.2
179.08583	2.3
181.05005	8.2
181.06447	2.3
187.07556	3.8
189.05489	1.9
191.07016	2.5
191.08540	2.3
195.08125	4.9
197.09641	2.2
202.07860	2.2
203.06847	2.6
203.38466	1.8
205.08519	2.4
207.08099	3.9
207.09985	2.1
209.07979	2.7
210.06830	2.2
211.07558	3.4
216.07848	4.2
217.08546	3.1
218.07246	2.3
219.08055	6.2
220.08725	3.5
221.05983	2.4
222.06903	2.0
223.07576	4.2
224.08266	1.9
225.09087	2.5
226.06284	3.5
235.07475	4.0
236.08391	3.1
237.09076	2.8
239.07088	5.8
239.10561	1.9
247.09743	12.9
251.10823	2.8
252.07953	1.9
253.08598	9.2
254.09360	5.4
261.09094	2.0
263.07214	2.8
264.07846	3.9
265.08633	4.5
266.09476	2.0
267.10254	2.8
269.08105	2.5
269.11768	5.1
270.08777	2.1
275.07047	2.7
277.08539	2.4
279.10190	4.0
282.08832	4.7
283.09769	1.8
291.10236	2.3
293.08060	2.1
295.09760	3.9
297.11139	9.1
299.13034	2.0
307.09738	9.2
319.09833	2.4
325.10687	50.3
326.11093	3.9
337.10547	2.6
339.12308	21.8
341.13956	4.7
351.12323	7.2
355.11771	2.4
357.13287	55.5
358.13791	4.1
369.13248	4.4
370.13974	3.9
466.45688	1.9
491.37494	2.4
525.46741	1.9
583.18549	3.3
583.27814	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	583.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
65.03947	2.6
66.84387	1.5
67.05511	3.9
69.59573	7.9
79.05506	8.9
81.03450	7.7
81.07064	2.4
87.65791	1.7
90.59419	1.8
91.05481	10.4
94.04202	3.2
95.04983	3.4
103.05468	5.1
105.07047	7.6
106.04192	2.6
107.04959	13.4
109.06520	2.5
115.05455	11.8
117.07018	9.6
118.04135	1.9
119.04971	2.9
119.08595	1.7
121.06519	5.0
122.03672	12.8
123.04432	5.9
124.05213	2.8
127.03938	2.4
129.07033	3.0
131.04968	8.6
131.05835	1.3
131.08618	1.8
133.02850	3.7
133.06517	6.8
137.05981	100.0
138.06331	3.0
141.06972	1.9
143.04889	2.0
144.05708	3.2
145.06519	16.3
147.04451	4.8
147.08040	3.5
149.06015	5.1
151.03903	14.6
151.04987	2.2
151.07544	4.4
152.06322	1.7
153.05443	3.6
155.06059	2.3
156.05650	2.6
157.06458	2.3
159.08116	3.1
160.05234	2.2
161.06003	15.5
163.07570	2.4
167.07047	88.0
168.07509	2.7
172.05225	2.6
173.05975	13.3
175.07512	9.3
176.04764	1.6
177.05460	5.1
179.07016	5.5
181.05009	17.5
181.06483	3.2
181.08669	3.3
187.07544	3.6
189.05486	2.2
190.06296	2.4
191.07068	5.0
193.08618	8.1
195.06601	4.3
195.08272	1.8
196.05206	1.8
197.05940	1.8
203.06996	3.3
205.08575	14.6
207.06534	11.5
211.04022	2.1
211.07635	2.7
212.39679	1.6
217.08636	6.6
218.07297	1.8
219.08195	3.8
219.10262	5.0
221.08131	4.0
225.05666	1.8
233.06117	2.2
233.07947	9.2
235.07619	3.0
235.09644	17.8
239.06848	2.2
240.07751	2.8
241.08624	7.4
245.08141	1.6
247.07468	2.2
247.09763	2.4
254.05814	3.0
261.09076	2.5
263.06921	2.3
268.07236	3.9
269.08179	5.9
270.09045	1.8
271.06049	3.8
275.07120	1.6
277.08707	2.8
279.06583	2.3
283.06360	1.8
283.09637	2.7
286.08487	2.4
289.10837	3.0
291.10049	1.7
292.07437	1.8
293.08026	2.1
295.09702	2.9
301.10724	6.4
307.09634	2.5
311.09131	2.0
314.07895	4.7
315.12009	3.6
319.09412	2.4
323.09332	2.5
323.12714	1.8
325.10672	2.5
327.12283	3.3
329.10272	15.3
330.11011	2.5
331.11841	3.9
337.10690	5.8
339.12311	3.3
343.11673	2.3
351.12552	3.9
355.11707	4.3
356.12643	1.6
357.13028	2.4
361.10568	1.9
363.12476	3.2
367.11893	3.9
369.13153	4.5
373.12680	2.9
381.13315	5.7
383.15012	3.2
385.12827	4.8
397.13138	2.3
399.14410	6.0
411.14365	5.9
417.15533	2.2
423.14230	2.9
429.15710	2.6
435.61560	1.7
441.15891	4.2
459.16489	24.6
460.16956	2.6
517.18420	2.0
547.19568	5.7
553.20624	10.7
565.20715	19.2
566.21039	3.5
583.20923	20.0
584.22058	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	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71881	1.5
53.03933	3.7
54.15837	1.5
55.07262	1.4
62.90264	1.2
65.03942	6.7
67.05499	2.7
69.03428	2.6
77.03918	1.9
78.04725	3.4
78.90022	1.3
79.05498	7.9
81.03410	11.1
82.03762	1.5
85.02889	2.5
91.05479	15.9
93.07034	2.9
94.04194	4.0
94.75352	1.4
95.04968	6.1
98.23391	2.5
103.05476	9.2
105.03389	2.1
105.04505	1.8
105.07047	7.6
106.04182	1.7
107.04958	15.2
107.08559	1.5
109.06508	2.4
111.04456	2.1
114.18526	1.5
115.05430	12.3
117.03384	1.8
117.07014	10.1
118.04050	1.5
119.04944	19.4
121.02875	3.1
121.06529	6.2
122.03677	12.7
123.04453	8.1
124.05254	3.3
129.07040	2.2
131.04988	8.9
131.08612	2.6
133.02855	23.9
133.06483	7.6
135.04504	1.8
137.05984	100.0
138.06343	2.9
142.02596	2.2
143.04999	1.9
144.05728	4.9
145.06477	18.2
147.04417	25.1
147.08104	3.7
149.06023	6.4
151.03896	16.0
151.07567	4.4
152.04756	1.5
153.05476	6.0
155.06068	3.2
156.05713	3.2
157.06494	3.5
159.08051	2.6
160.05252	2.3
161.05962	13.3
163.03923	3.9
165.05522	3.6
167.07045	83.8
169.06477	1.8
171.06590	2.0
171.08025	1.4
172.05249	3.8
173.05984	15.2
174.06622	2.3
175.07561	5.3
177.05496	5.1
178.05959	2.4
179.07074	5.1
181.04976	34.7
181.06396	2.5
181.08604	2.0
184.05235	2.3
185.05992	2.2
187.07584	6.0
189.05528	2.6
189.09186	1.8
190.06238	3.9
191.06993	8.7
193.08635	6.1
195.06447	3.4
195.08148	2.5
197.06075	2.1
198.06738	2.1
201.05533	2.0
203.07077	5.4
205.08623	15.4
207.06496	7.5
207.08273	2.4
207.10100	3.0
211.07654	2.6
213.05527	2.0
215.06978	3.9
217.08582	7.9
218.05725	2.4
219.06494	3.7
219.08325	1.9
219.10143	5.5
221.06046	1.6
221.07986	3.0
225.05684	1.6
226.06287	3.1
227.07095	1.6
229.08495	1.8
231.08232	1.8
233.08073	21.2
235.07542	3.3
235.09630	15.9
237.05428	1.5
239.07008	1.6
240.07938	1.8
241.08591	6.1
246.06841	2.5
247.07515	3.9
247.09789	1.8
248.08327	2.1
249.09105	1.8
250.05977	1.5
251.07025	2.2
255.06401	2.1
257.08212	3.6
263.06970	2.6
267.06552	1.5
268.07339	3.2
269.08096	5.3
271.05930	2.9
276.07837	2.3
277.08627	3.9
280.07242	1.7
281.07861	1.9
283.09692	1.8
289.10892	3.3
291.10278	2.2
292.07275	2.2
293.08105	2.7
294.08798	2.0
295.09769	3.6
297.07510	2.9
299.05688	2.0
301.10703	2.7
303.05072	6.1
303.12448	2.0
305.08121	2.1
306.08899	2.3
307.09467	3.3
309.07669	2.7
309.11237	2.2
315.08426	2.1
315.12265	2.7
321.10971	1.8
322.08212	2.3
323.09155	2.4
325.10727	4.2
327.12335	1.9
329.10291	14.2
331.11526	2.5
335.09085	2.0
337.10712	4.0
339.12122	3.0
341.10083	1.7
343.11957	3.1
351.12265	3.1
353.10214	3.5
353.14182	1.7
355.11954	2.9
365.14359	2.4
367.11667	2.5
369.13358	6.2
381.13345	5.9
383.15109	3.3
385.12799	6.0
386.13760	1.8
387.14078	2.1
393.13446	2.6
397.12753	2.7
399.14407	4.7
401.15744	2.9
411.14151	4.7
415.14066	3.0
429.15649	4.2
441.15381	2.4
459.16547	18.9
460.17062	2.6
484.68704	1.6
517.18604	1.6
535.19891	3.5
547.19714	4.2
553.20654	8.0
565.20758	19.4
566.20801	2.1
583.20343	13.5
584.21881	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	583.2377
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
53.03948	1.7
53.45011	1.0
57.03432	1.1
60.67097	1.2
69.03418	1.2
69.27856	7.9
70.06596	2.2
74.24113	1.2
79.05504	1.7
91.05489	2.2
95.04980	1.7
101.29282	1.4
105.07036	1.8
107.04967	2.6
115.05441	1.6
116.06287	1.3
117.07018	1.2
123.04451	1.8
128.06238	4.0
129.07010	6.5
129.07861	1.2
131.04898	1.6
131.08589	6.7
133.06497	2.0
137.06000	2.7
141.06973	3.2
144.05724	3.1
145.06451	2.9
146.07280	1.4
147.04398	1.4
151.03946	1.8
153.01839	4.8
155.07066	1.2
155.08395	1.1
157.06511	3.4
159.08047	15.3
161.05977	1.3
161.09602	3.2
166.15262	1.1
167.07079	6.4
168.07411	4.0
169.07556	1.2
170.07281	2.1
171.08003	1.3
173.05971	3.2
174.06708	1.8
175.03781	1.2
175.07510	1.4
183.06580	2.8
184.07051	1.6
187.07552	9.9
189.05542	1.5
189.09134	3.8
191.06970	1.3
199.07582	1.6
203.06984	2.0
204.07828	5.8
205.08725	2.1
207.10179	1.7
217.08682	3.8
218.08980	2.8
219.10130	4.0
221.11520	1.3
231.10164	3.5
249.11229	100.0
250.11598	3.9
264.07385	1.3
265.08820	1.4
303.23019	1.3
307.09756	2.0
340.12375	1.4
369.13467	1.3
370.13907	1.9
371.14828	1.5
372.15305	4.1
401.15631	1.4
402.16211	6.5
420.17331	2.3
421.18048	2.0
583.17822	2.0
602.43005	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	583.2386
Annotation	Tinosposinenside B
Peak:m/z	Relative Intensity
50.31605	0.4
51.02386	0.5
53.03944	1.5
55.01860	0.8
55.05516	0.5
57.07066	1.1
58.61692	0.4
67.05503	2.7
69.03429	3.2
69.07056	0.6
69.54120	1.0
69.54520	1.5
71.04998	1.1
79.01847	3.4
79.05491	2.1
80.00032	0.4
81.03419	8.2
81.07060	5.2
83.37080	0.4
85.02901	1.8
85.06556	2.3
87.04472	5.4
91.05474	1.8
93.07056	3.7
95.04971	3.6
95.08610	6.3
97.02896	5.4
98.23388	0.5
99.04436	0.6
103.05451	1.2
105.07025	10.6
107.01307	1.7
109.02870	5.0
109.10152	1.3
113.06009	51.6
114.06344	0.9
115.03928	10.5
115.05431	0.5
119.08569	2.4
121.02861	0.5
121.06505	1.7
121.10144	100.0
122.10474	3.0
123.08089	2.1
125.02354	4.3
125.06001	0.6
127.03911	6.2
131.07048	4.3
131.08574	1.4
133.07657	1.3
133.10080	0.5
134.36163	0.4
135.08084	0.8
137.05968	1.4
137.13249	16.3
139.07567	0.5
139.11177	2.5
143.03392	4.8
145.04895	0.8
145.10126	1.7
147.11688	0.7
151.03867	0.7
153.01828	96.4
153.02890	4.9
154.02158	2.3
163.03879	0.5
163.11180	0.7
167.07072	2.1
171.01489	0.9
171.02890	10.3
171.11691	1.6
173.13261	6.3
177.09099	0.6
181.08640	0.7
187.14749	0.6
191.14484	0.5
205.15897	0.6
215.14264	0.5
223.16919	0.6
233.15367	7.4
234.15791	0.6
251.16426	52.3
252.16774	3.2
269.17480	21.3
269.20416	1.0
270.17816	0.8
297.06052	6.7
315.07092	9.5
357.13309	0.8
583.27380	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2386
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
50.01587	0.3
51.02385	1.1
51.93208	0.3
53.03940	1.0
55.01868	0.5
55.05517	0.7
56.70655	0.3
57.03437	0.4
57.07073	1.8
58.70986	0.4
58.80470	0.3
67.05508	2.7
69.03429	3.8
69.07069	1.0
69.27615	2.3
71.04987	1.2
71.09283	0.4
74.07384	0.3
79.01846	3.0
79.05492	2.6
81.03413	7.0
81.07059	4.6
85.02907	2.4
85.06539	2.6
87.04467	5.6
91.05493	1.4
93.07043	3.3
95.04977	3.3
95.08615	6.8
97.02891	5.0
99.04472	1.0
103.05443	1.8
105.04527	0.4
105.07030	9.7
107.01340	1.6
107.08610	0.8
109.02885	4.1
109.10160	1.2
113.06008	49.1
114.06340	1.4
115.03928	9.5
119.08585	3.2
121.06564	1.8
121.10142	100.0
122.10436	2.8
123.04406	0.6
123.08064	2.1
125.02348	2.8
125.06012	0.8
127.03910	5.1
131.06104	0.6
131.07033	5.2
131.08563	1.1
133.06674	0.4
133.07582	1.8
133.10149	1.2
135.08069	1.0
137.05972	1.1
137.13251	16.9
138.13626	0.7
139.03877	0.5
139.07562	0.6
139.11176	3.2
143.03394	5.3
143.08539	0.5
145.04950	0.8
145.10152	0.9
151.03949	0.6
153.01828	97.7
153.02852	4.6
154.02153	1.9
159.11726	0.6
160.16064	0.3
161.05966	0.6
163.11180	0.4
167.07082	1.3
171.02888	9.3
171.11673	1.9
173.13260	5.3
177.05417	0.9
178.05838	0.6
181.08620	0.6
191.14357	0.7
201.05479	0.5
203.07127	0.4
205.15926	0.4
215.14427	0.8
233.15367	6.9
249.11070	0.3
251.16422	52.9
252.16768	2.0
269.17468	23.8
270.17841	1.3
271.06052	1.5
279.04739	0.4
283.06158	0.5
285.07523	0.9
297.02686	0.6
297.06009	6.5
302.82147	0.3
315.07095	9.2
336.05466	0.3
343.12454	0.3
359.17722	0.4
418.09030	0.3
583.21216	1.1
602.92163	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	583.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17146	0.4
53.36947	0.4
55.05503	1.1
66.72760	0.5
67.05505	1.9
68.97542	0.4
69.07076	0.8
73.55150	0.4
79.05494	1.4
81.03439	1.1
81.07050	1.9
83.04984	0.4
83.08645	0.6
91.05483	1.7
93.07059	1.3
95.05020	0.5
95.08614	1.4
105.07043	1.4
107.08590	1.0
108.41323	0.5
109.10178	0.9
117.07047	0.7
119.08611	1.5
121.10136	0.7
123.08083	0.7
125.09583	0.6
129.06982	0.7
133.10158	1.1
143.08594	0.5
145.10153	1.0
151.07568	0.7
157.10208	0.5
161.32722	0.5
184.07364	1.6
195.11687	0.6
203.05405	0.6
211.13364	0.6
259.07990	1.3
292.21094	0.4
331.09839	0.9
387.16437	0.5
421.25671	1.6
427.19501	1.2
441.20874	2.4
479.26395	1.3
483.22382	0.5
499.21445	9.5
500.21780	1.0
507.37012	0.5
537.04480	0.6
583.30884	100.0
584.31165	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	583.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
55.46628	0.7
57.03465	0.7
67.05518	2.8
69.07059	1.0
69.08050	4.5
70.05050	0.7
70.72472	0.6
70.78364	0.6
71.04992	2.6
79.05534	0.7
81.03429	0.9
81.07052	4.4
83.08642	1.0
85.06535	0.6
91.05503	2.0
93.07061	2.8
95.08626	1.1
98.23413	1.3
105.07041	1.2
107.08613	1.7
109.10223	0.7
119.08655	0.9
121.10172	1.1
129.86697	0.6
131.08633	1.1
133.10136	0.8
147.11633	0.8
149.09683	0.7
159.11748	0.6
233.11560	0.9
250.50740	0.7
267.15710	3.3
283.15170	10.8
321.36749	0.7
323.18390	2.3
339.17822	6.0
485.29013	3.2
583.34570	100.0
584.35095	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.8
53.03954	5.9
55.05514	20.4
56.16506	1.7
57.07088	11.0
59.04994	5.4
65.03946	5.6
67.05508	29.7
69.03427	9.8
69.07074	21.5
75.08378	1.6
77.03957	1.5
78.94130	1.4
79.05498	31.0
79.05915	2.8
81.07065	33.0
81.07528	2.2
83.04989	8.7
83.08623	10.1
85.06565	6.7
85.49482	1.5
87.04449	1.4
91.05485	58.0
91.17096	1.7
93.07050	55.4
95.04987	10.8
95.08602	32.5
95.09151	2.0
97.06541	6.9
98.22594	5.6
103.05514	4.7
105.04538	3.7
105.07034	84.7
107.04945	2.0
107.08595	48.0
109.06538	10.6
109.10154	22.9
111.08081	4.3
115.05452	5.6
117.07018	20.3
119.08585	100.0
121.06536	6.0
121.10150	53.4
123.08099	16.6
123.11724	7.0
125.06033	4.8
125.09699	3.0
128.06229	17.9
129.07011	24.6
130.07784	9.1
131.08572	42.1
131.09496	3.1
133.06540	2.5
133.10136	43.5
135.08054	12.5
135.11662	12.0
137.09605	10.6
139.11215	2.7
141.07013	12.3
142.07784	26.1
143.08571	50.1
144.09393	8.4
145.10132	53.1
147.08041	16.3
147.11684	17.4
147.71661	1.4
149.09637	7.4
149.13322	2.8
151.07578	13.0
151.11201	2.6
153.07040	4.9
153.09166	1.9
154.07814	4.9
155.08571	23.3
156.09357	22.3
157.10132	61.6
158.10916	12.1
159.08112	4.9
159.11694	27.0
161.09613	7.9
161.13303	7.3
163.11179	9.8
165.07030	11.1
165.09119	22.6
166.07851	3.7
167.08571	15.1
167.10684	11.8
168.09328	11.8
169.10130	34.0
169.11478	2.0
170.10936	12.0
171.11702	30.6
172.12234	3.1
173.09637	2.9
173.13269	30.9
175.11259	4.9
175.14867	7.6
177.09132	1.7
177.12888	2.1
178.07808	3.0
179.08557	18.7
180.09344	7.5
181.10184	22.3
181.12244	6.5
182.10902	10.0
183.11719	31.3
184.12476	7.5
185.09769	2.6
185.13263	17.2
187.11229	2.9
187.14876	6.6
189.12787	6.5
191.14236	10.7
192.09363	5.8
193.10141	19.9
194.10912	15.2
195.11708	24.0
196.12469	7.2
197.13254	24.4
198.14003	2.6
199.11182	2.4
199.14859	20.7
201.16429	3.0
202.13484	1.5
203.08611	2.1
203.14302	9.2
204.29216	1.5
205.10205	5.8
205.15912	1.9
206.10858	9.3
207.11739	24.2
207.13818	5.3
208.12439	11.1
209.13293	30.1
210.14015	6.0
211.14832	12.9
212.15376	1.7
213.12810	2.5
213.16455	4.4
215.08774	2.0
215.14388	3.5
217.10144	3.2
217.15862	12.7
218.10919	5.3
219.11700	11.3
220.12492	10.4
221.13322	17.7
221.15445	40.5
222.13939	5.5
222.15956	3.2
223.14816	17.4
224.15665	2.9
225.12733	2.5
225.16380	6.4
227.14299	2.5
229.10173	1.9
229.15907	2.3
231.11714	6.2
232.12494	5.2
233.13301	12.4
233.15453	4.7
234.14087	4.5
235.14833	17.9
236.15652	2.9
237.16461	7.2
239.17931	3.9
241.15874	1.7
243.11749	4.5
243.17612	2.4
244.12430	3.9
245.13380	8.5
246.14069	5.9
247.14841	12.8
247.17001	2.8
248.15511	3.8
249.16429	11.2
250.16969	3.4
251.14183	2.2
251.18025	5.2
253.15967	1.7
253.19794	2.3
257.13400	5.2
257.19110	6.8
258.14130	3.1
259.14896	6.6
260.15573	4.6
261.16373	9.9
262.17184	2.8
263.17990	6.8
265.19583	6.8
269.19058	2.8
271.14758	3.6
271.17426	2.1
272.15631	1.9
273.16232	7.9
275.17819	12.2
276.18787	2.1
277.19565	4.1
279.17599	2.1
279.21097	3.7
281.18961	2.2
283.15060	2.7
283.20551	17.7
287.17886	5.1
287.20526	3.7
288.18613	3.1
289.19580	2.9
293.19107	3.0
295.20663	3.8
303.21310	2.1
305.60907	1.6
307.20563	2.3
311.23447	2.5
319.20551	2.2
329.22675	3.0
331.24136	4.7
343.24298	2.9
349.25439	7.6
365.24600	2.2
373.25430	2.3
375.26947	5.2
379.26355	2.1
397.24991	2.4
403.30115	3.3
491.34778	4.6
503.35083	1.8
515.35907	1.9
547.39282	3.2
565.40369	12.0
583.41479	62.2
584.42059	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.5
51.87076	1.9
53.03942	7.3
55.05515	16.1
57.07081	10.8
59.05006	4.6
65.03943	4.2
67.05510	30.0
67.05843	2.9
69.03419	10.2
69.07072	20.4
79.05500	36.3
81.07066	39.0
83.04994	7.2
83.08645	9.7
85.06554	10.3
89.49138	2.0
91.04918	1.5
91.05487	57.0
93.07050	62.5
94.07378	2.2
95.04961	12.7
95.08616	33.7
97.06561	5.4
100.23105	2.2
103.05472	5.1
105.04561	3.4
105.07037	88.9
106.07350	2.4
107.08603	51.2
107.09281	3.6
108.08916	2.5
109.06541	9.1
109.10164	25.1
111.08107	2.9
115.05482	5.5
116.06227	3.1
117.07006	22.6
117.07688	1.7
119.05042	2.1
119.06018	3.3
119.08591	100.0
121.06551	4.0
121.10150	53.1
123.08076	16.1
123.11721	6.2
125.06022	3.7
125.09667	3.6
127.43098	2.3
128.06226	17.3
129.07033	21.8
130.07808	10.2
131.08569	44.0
133.10143	44.1
135.08028	12.9
135.11711	14.5
137.09650	9.2
139.11192	2.9
141.07002	11.8
142.07788	32.6
143.08571	47.6
144.09380	10.6
145.10127	65.7
146.10504	4.3
147.08028	12.7
147.11719	18.2
149.09642	6.7
149.13283	4.4
151.07532	10.5
153.07024	6.5
154.07780	5.1
155.08546	24.7
156.09369	23.8
157.10138	67.7
158.10954	12.6
159.08138	5.4
159.11690	29.5
160.08899	2.4
161.09694	7.4
161.13260	9.7
163.11234	9.3
165.07106	10.4
165.09145	27.3
166.07857	3.9
167.08572	11.4
167.10667	16.1
168.09366	9.8
169.10153	36.6
170.10948	9.8
171.11693	37.9
172.12260	3.5
173.09593	3.2
173.13255	35.1
175.11244	4.3
175.14838	11.5
178.07870	2.3
179.08557	19.2
180.09375	6.4
181.10190	22.5
181.12245	5.1
182.10960	6.0
183.11700	29.3
184.12410	5.8
185.13258	18.1
187.11314	2.2
187.14871	6.3
189.12845	5.6
191.08633	4.4
191.14297	11.9
192.09335	10.0
193.10156	22.7
194.10945	15.9
195.11682	27.4
196.12427	11.0
197.13271	25.3
198.13924	4.4
199.14821	22.2
201.12866	2.8
203.14362	10.8
205.10211	6.6
206.10861	12.3
207.11771	21.1
207.13742	4.6
208.12570	8.5
209.13264	33.6
209.15250	3.5
210.14053	2.8
211.14761	13.7
213.16472	5.6
215.08630	3.0
217.10291	5.7
217.15878	12.2
218.10875	3.3
219.11693	11.2
220.12514	8.8
221.13321	21.9
221.15462	49.9
222.14093	5.7
223.14795	17.9
225.16478	8.2
229.10245	3.0
230.11017	4.4
231.11809	9.2
232.12424	5.2
233.13286	12.6
233.15504	7.9
234.14030	5.0
234.16090	2.7
235.14883	14.5
236.15625	3.9
237.16486	8.8
239.18076	3.8
243.11790	2.8
245.13245	11.9
246.14102	6.6
247.14798	11.8
247.17126	2.6
248.15666	4.3
249.16254	9.8
250.17108	2.9
251.14339	2.1
251.18036	7.9
253.15872	2.6
253.19905	2.2
255.17451	4.1
257.13324	5.8
257.19128	7.2
258.13959	3.8
259.14896	9.2
260.15662	8.5
261.16370	10.6
262.17227	3.4
263.18036	8.2
265.19507	5.1
267.17453	4.3
269.19043	4.6
271.14807	3.9
271.20746	2.4
272.15668	2.5
273.16376	4.8
275.17908	17.6
277.19644	5.4
281.19098	2.8
281.76648	2.3
283.14728	2.3
283.20523	20.3
285.16470	3.5
287.17740	2.9
289.19647	5.4
290.20306	2.3
291.21045	2.5
293.19061	2.7
295.20764	3.9
297.22302	2.5
299.20441	3.3
300.20993	2.7
303.20911	4.1
307.20706	5.1
309.22208	2.4
331.24393	6.9
345.21878	2.8
349.25369	9.2
375.26996	5.3
403.30112	3.2
415.29846	2.1
427.30594	2.5
470.82129	2.2
491.35425	7.8
503.35596	2.9
547.39496	4.4
565.40509	16.5
566.40753	3.7
583.41522	81.9
584.41791	11.3
605.54968	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05513	5.6
57.07073	5.3
59.04995	2.2
65.03940	1.8
67.05505	11.5
68.08889	1.3
69.03429	5.0
69.07075	5.7
70.52981	2.9
79.05492	11.2
81.07056	15.0
83.04984	3.0
83.08652	2.8
85.06550	2.6
87.63883	1.3
91.05479	15.7
93.07047	28.9
95.04983	5.1
95.08612	26.3
97.06538	2.3
105.07036	34.1
107.08593	18.2
109.06515	3.8
109.10148	10.4
117.07049	7.3
119.08591	32.4
121.06533	3.1
121.10139	22.2
123.08077	15.8
123.11728	2.4
125.06074	1.7
128.06232	3.0
129.07007	6.9
130.07849	2.9
131.08577	14.2
133.10146	17.4
135.08035	8.4
135.11717	4.6
137.09613	9.2
141.06967	3.2
142.07800	9.8
143.08591	15.1
144.09346	3.1
145.10130	22.2
147.08046	14.5
147.11739	5.9
149.09659	3.4
151.07565	20.5
153.06952	1.7
155.08583	7.5
156.09384	10.5
157.10146	24.3
158.10849	2.1
159.08142	2.1
159.11693	16.6
161.09641	3.9
161.13313	5.7
163.11218	3.9
165.07037	2.2
165.09123	33.9
167.08603	4.0
167.10718	2.9
168.09381	2.7
169.10115	10.2
170.10881	5.3
171.11694	12.3
173.09634	2.3
173.13286	9.8
175.11192	2.0
175.14812	3.0
177.09106	1.9
177.12837	1.5
179.08627	3.8
180.09416	1.8
181.10150	6.0
181.12306	3.3
182.10919	3.4
183.11713	14.1
184.12570	2.9
185.13257	11.6
187.11259	2.7
187.14873	2.5
189.12811	5.6
191.14322	2.0
192.09351	1.6
193.10159	7.1
194.10973	3.9
195.11703	9.3
196.12514	2.8
197.13252	14.0
198.14001	1.7
199.11206	1.7
199.14931	4.1
201.16364	1.5
203.14360	15.9
205.10263	2.3
206.10970	2.6
207.11728	10.2
207.13849	10.3
208.12463	4.7
209.13246	13.7
209.15053	1.7
211.14879	6.2
211.54814	1.6
213.16440	3.1
217.15843	2.5
219.11723	2.8
220.12454	2.6
221.13321	8.0
221.15346	68.0
222.13966	2.7
223.11365	1.5
223.14877	9.0
225.16348	4.1
227.14346	1.8
229.16006	2.0
231.11731	2.1
231.17410	2.0
233.13350	3.3
234.13933	3.4
235.14882	6.1
235.16971	1.6
236.15726	1.5
237.16394	3.8
239.17879	2.3
245.13240	2.2
246.14182	1.8
247.14861	3.1
247.17104	2.8
249.16426	4.3
253.19485	1.6
257.19037	3.0
261.16373	2.6
263.17926	3.4
265.19577	2.5
269.19223	1.7
271.20624	2.9
273.16293	2.5
275.17987	2.9
277.19540	3.1
279.21109	3.5
283.20602	3.1
284.44077	1.4
287.20233	3.3
289.19547	2.2
295.20609	5.0
297.22137	6.1
301.19421	2.0
307.20709	1.5
309.21988	2.0
349.25439	3.4
352.24075	3.4
357.25876	3.0
365.24701	2.8
375.26855	7.4
385.28809	2.9
403.29935	13.0
403.34177	1.4
491.35312	1.8
503.35229	5.4
509.34109	3.5
518.93256	1.4
547.39288	3.1
565.40399	32.4
566.40546	4.7
583.41479	100.0
584.42249	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
55.05520	23.6
57.07080	11.2
59.05008	4.7
65.03944	6.4
67.05514	34.8
69.03436	10.1
69.07074	23.4
69.30719	23.1
79.05505	36.1
81.07060	45.2
83.04988	11.2
83.08630	12.9
85.06580	7.7
89.06034	27.1
91.05480	61.1
93.07048	60.6
95.04985	11.0
95.08617	44.9
97.06562	4.7
103.05465	5.9
105.07040	98.8
107.08593	52.8
109.06510	10.1
109.10152	28.2
111.08160	4.0
115.05478	6.0
116.06286	4.1
117.07017	26.3
119.08587	100.0
121.06548	7.2
121.10152	60.5
123.08091	16.0
123.11736	11.1
125.09629	5.2
128.06219	17.1
129.07010	22.0
130.07793	10.2
131.08578	45.4
133.08626	14.2
133.10133	51.6
135.08061	11.1
135.11731	20.1
137.09650	10.8
141.07030	12.3
142.07780	23.2
143.08577	54.8
144.09323	10.3
145.10123	73.2
147.08047	15.8
147.11694	16.1
149.09659	11.0
149.13266	4.3
151.07541	11.8
153.07056	9.2
155.06148	4.1
155.08553	23.2
156.09360	25.8
157.10138	65.8
158.10919	11.5
159.08075	5.3
159.11679	34.2
161.09657	10.3
161.13275	9.5
163.11238	8.2
165.07007	6.0
165.09140	25.6
166.07800	6.9
167.08604	12.0
167.10716	11.7
168.09386	11.8
169.10141	35.2
170.10919	13.0
171.11681	34.6
173.09645	5.8
173.13277	28.2
175.11255	5.1
175.14900	11.1
177.11255	5.9
179.08588	19.5
180.09331	7.5
181.10092	20.1
181.12288	6.9
182.10933	13.3
183.11665	40.4
184.12476	6.4
185.13245	17.6
187.11282	3.4
187.14854	11.3
189.12836	6.1
189.16525	3.7
191.14340	13.4
192.09410	9.0
193.10120	15.4
194.10991	20.1
195.11719	29.3
196.12468	7.0
197.13341	20.5
198.13847	4.2
199.14868	25.1
203.14311	13.3
205.10167	5.6
205.38101	3.4
206.10948	12.8
207.11734	25.3
207.13797	7.5
208.12517	11.0
209.13261	38.9
210.14218	4.6
211.14851	15.4
213.12991	3.3
213.16370	5.1
217.10132	5.1
217.15930	13.7
219.11696	12.4
220.12495	8.0
221.13290	24.1
221.15425	52.8
222.13841	5.0
223.14790	16.5
225.16399	9.3
229.10237	3.7
230.10979	6.2
231.11719	8.0
232.12540	6.2
233.13281	10.1
233.15425	7.6
234.14076	4.8
235.14758	20.3
236.15465	5.4
237.16273	9.7
239.18013	5.5
244.12502	5.3
245.13280	9.6
246.14006	7.7
247.14856	13.8
247.17049	5.6
249.16467	8.6
251.18024	10.7
257.13223	3.9
257.19046	11.8
259.14941	10.1
260.15598	7.7
261.16428	17.3
263.14618	3.7
263.17978	12.4
265.19495	8.6
269.13220	3.7
269.19147	5.3
273.16418	5.6
275.15106	3.6
275.18002	13.0
277.19519	5.6
281.18893	3.6
283.20621	17.7
287.20322	3.6
289.19510	3.7
295.20697	4.7
307.20486	3.8
309.22235	3.6
331.24200	7.6
347.24191	3.6
349.25253	7.8
371.22919	4.5
375.26718	7.6
491.35040	9.3
503.35553	5.9
565.40448	18.0
583.41504	80.6
584.41656	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
55.05511	9.9
57.07077	7.0
59.04990	2.7
65.03948	3.5
67.05502	17.7
69.03428	6.0
69.07069	7.8
70.78498	2.3
70.78832	1.5
77.50266	1.6
79.05506	15.3
81.03442	2.1
81.07059	21.7
83.04996	3.8
83.08624	3.5
84.87481	1.5
85.06551	3.4
87.91314	1.6
91.05478	24.0
93.07045	35.4
95.04989	4.6
95.08611	30.0
95.09174	2.8
103.05482	2.1
105.07029	42.4
107.08598	21.3
109.06526	7.1
109.10172	9.5
111.08136	2.1
115.05486	2.7
117.07014	7.2
117.32632	1.6
119.08583	34.7
121.06482	3.3
121.10152	23.0
123.08076	22.0
123.11636	2.4
128.06255	6.5
129.06960	8.3
130.07780	3.0
131.08571	15.6
131.81013	1.6
133.06485	3.0
133.10130	19.5
135.08080	8.8
135.11716	4.4
137.09616	11.3
139.11206	2.4
140.12848	1.6
141.07002	3.9
142.07779	13.6
143.08594	19.8
144.09378	4.6
145.10132	24.3
146.52614	1.6
147.08041	17.3
147.11726	6.2
149.09688	2.9
151.07535	20.8
151.11217	1.7
153.06998	2.3
155.08536	9.5
156.09335	8.8
157.10130	33.6
158.10916	3.5
159.08073	3.6
159.11691	14.9
159.56871	1.6
161.09662	4.9
161.13284	5.6
163.11217	2.4
164.73943	1.6
165.07036	3.8
165.09128	40.5
165.10480	2.9
167.08612	5.3
168.09315	3.8
169.10117	13.4
170.10913	5.6
171.11720	14.6
173.09637	3.0
173.13240	9.2
175.11253	2.7
175.14859	4.2
179.08604	5.4
180.09325	2.7
181.10086	8.8
181.12398	1.7
182.10950	5.4
183.11674	13.8
185.13220	13.6
187.11243	2.5
187.14954	4.2
189.12814	6.9
191.08589	1.7
191.14290	2.7
192.09332	2.5
193.10191	7.4
194.10959	4.3
195.11720	13.4
196.12521	3.9
197.13251	16.2
199.14899	4.5
201.12816	2.1
201.16406	1.8
203.14313	18.9
205.10086	1.9
206.10986	3.9
207.11780	7.8
207.13849	10.4
208.12466	3.8
209.13220	13.4
209.15166	2.4
210.13995	1.9
211.11182	2.4
211.14877	6.6
213.16449	3.8
215.14426	1.8
217.10213	1.9
218.11049	1.7
219.11766	2.8
220.12503	4.2
221.13315	6.8
221.15341	70.0
222.15874	2.7
223.14751	7.8
225.16428	4.1
227.14384	1.9
230.10974	2.2
231.11852	2.1
231.17595	4.1
232.12488	1.8
233.13239	4.8
234.14015	1.8
235.14897	5.8
237.16565	2.4
239.17879	3.8
243.11667	2.4
245.13354	4.1
247.14854	5.2
247.17104	2.9
249.16389	4.1
251.17987	3.9
253.16032	2.7
253.19588	2.9
257.19016	4.2
259.14886	3.2
260.15878	2.2
261.16507	3.6
263.18005	4.0
265.19574	3.8
269.18808	1.4
271.14719	1.9
271.17404	1.8
271.20517	2.3
275.17841	3.1
277.19754	1.9
279.21021	3.2
281.19098	2.1
283.20654	4.6
284.04404	1.6
285.16364	1.7
286.19391	1.9
287.20221	2.6
291.21027	1.7
295.20544	5.5
297.22275	7.1
303.21347	2.9
333.22192	2.0
349.25262	3.1
352.24466	1.8
357.25827	3.8
365.24722	2.1
375.26788	7.8
403.30020	14.8
411.48975	1.7
503.35291	4.8
509.34247	2.7
547.39429	4.4
565.40411	32.6
566.40771	3.1
583.41467	100.0
584.41687	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	584.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.5
71.27993	0.9
81.03423	1.1
85.02917	4.6
91.05486	2.8
97.02904	2.0
103.05464	1.1
105.07053	1.2
115.05457	3.0
116.06245	1.4
117.07021	3.1
123.40513	0.7
127.03932	0.9
128.06206	0.8
129.06992	4.7
131.05002	0.7
131.08572	10.1
136.06166	0.7
138.05473	1.6
141.06989	2.3
144.05688	6.0
145.04961	1.4
145.06508	6.4
146.07268	0.6
155.04903	1.3
155.06033	1.6
156.05580	0.9
157.06503	7.6
159.08070	13.0
159.39134	0.6
160.05196	0.7
161.05986	1.9
169.07660	1.6
171.04369	1.1
172.05139	1.4
173.06010	8.8
174.06737	2.1
175.07579	2.5
180.08688	2.0
184.07320	0.8
185.05957	6.6
187.07536	7.5
189.05470	2.4
189.09105	0.9
190.06030	0.7
191.07053	1.8
201.05563	0.9
202.06213	2.1
203.06998	6.1
204.07832	11.2
205.08371	1.0
209.04428	1.1
213.05368	1.6
213.87904	0.7
217.08629	9.0
219.06615	0.8
219.10236	1.2
230.05721	0.8
231.06514	5.4
233.08090	3.0
235.06020	4.4
245.08090	3.4
248.06802	1.6
263.09152	100.0
264.09534	5.0
279.77179	0.6
281.10196	18.7
325.29214	0.7
336.11639	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	584.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93728	1.3
52.76931	1.2
53.03938	6.5
55.01874	4.1
55.05516	6.5
60.09739	1.3
67.05499	5.2
69.03429	9.9
69.07076	7.4
71.04996	6.2
71.29986	2.2
79.05497	21.8
81.03423	24.8
81.07065	43.2
82.29566	1.2
83.04991	6.5
85.02895	8.1
85.06547	8.4
86.52995	1.4
90.77230	1.6
91.05485	23.3
92.05795	1.5
93.07050	60.2
94.07371	1.5
95.04990	7.9
95.08595	3.7
97.02895	12.8
97.06545	15.4
99.04459	25.4
101.06038	2.6
104.10758	1.6
105.04522	3.2
105.07038	42.2
107.04955	8.1
107.08603	10.5
109.02890	12.2
109.06522	29.5
109.10147	2.0
111.04448	6.9
115.05499	1.7
117.07033	3.3
119.04961	2.5
119.08582	26.9
120.08938	1.5
121.06509	78.6
122.06829	1.5
123.04439	3.0
123.08079	2.5
125.05995	3.2
127.03913	15.4
127.07565	16.5
128.06242	4.4
129.06999	11.0
131.08545	9.5
131.54137	1.4
133.06514	7.6
133.10150	15.1
133.41760	1.4
135.04407	7.3
135.08058	5.0
135.11725	1.9
137.05995	9.3
139.07549	20.1
141.05511	1.8
141.07027	3.5
142.07782	10.9
143.08577	21.2
145.04973	1.8
145.06500	2.9
145.10150	17.1
147.08025	9.0
147.11691	39.1
151.03879	2.5
151.07578	2.2
153.01852	12.9
155.08580	4.9
156.09364	13.0
157.10138	37.1
158.07294	1.6
159.08090	5.2
159.11737	7.8
161.05995	3.6
161.09676	7.4
161.13271	14.1
163.07635	1.9
165.06984	2.0
166.07861	3.1
167.07039	17.2
169.10124	4.1
171.08083	1.8
171.11688	42.2
173.09666	7.3
173.13280	2.9
175.07664	3.4
175.11185	22.6
177.09253	1.5
181.10135	5.1
183.11699	2.0
184.08900	1.8
185.09662	2.4
187.07649	3.3
187.11230	4.6
189.09111	1.9
189.12744	40.8
191.07063	2.2
193.08644	2.5
193.12280	2.7
195.11769	1.6
199.11166	27.9
201.09027	2.0
201.12640	1.6
205.12253	3.7
207.13794	29.1
208.14183	1.7
213.12810	1.7
215.10699	6.1
217.12253	79.8
218.12502	2.7
219.10146	1.6
229.08676	2.7
229.12265	1.9
231.13747	2.1
233.11722	2.4
235.13293	100.0
236.13651	4.6
237.12758	1.8
241.12280	2.6
247.09683	3.8
253.14407	19.7
255.13736	2.8
277.14511	2.3
279.13644	1.9
283.13181	2.9
289.12228	1.5
297.14862	4.1
301.14371	2.1
315.15955	3.4
325.14307	5.6
343.15347	11.9
361.16431	15.9
362.16724	1.5
363.62509	1.5
379.17542	25.8
380.17664	2.3
397.18549	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	584.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70274	0.4
55.01895	0.4
61.02918	0.5
69.02152	1.9
69.02585	2.3
69.03414	2.0
69.70688	0.4
73.02874	0.4
81.03391	0.5
85.02911	3.8
91.05498	3.4
97.02872	1.6
98.22595	0.7
103.05468	1.5
105.07037	0.5
109.02789	0.6
115.05466	2.3
116.06219	2.0
117.07037	2.8
121.06525	0.6
127.03885	0.9
128.06209	1.2
129.07016	6.8
131.04929	1.5
131.08565	11.3
132.08900	0.4
137.02338	4.4
141.07004	2.8
144.05688	6.8
145.06479	6.6
153.01933	0.5
155.04910	0.9
155.06050	1.6
156.05690	1.2
157.06500	8.0
158.07216	0.6
159.06779	0.9
159.08052	13.1
160.05238	0.5
160.08423	0.5
160.43488	0.5
161.05966	1.6
161.07526	0.4
169.07668	2.1
171.04370	0.6
172.05196	1.6
173.06000	10.1
174.06760	1.6
175.07475	1.2
185.05965	7.1
186.06644	0.5
187.07535	7.3
188.04587	0.7
189.05450	1.8
189.09119	1.2
190.06270	0.9
191.07016	1.9
201.05479	0.4
202.06288	2.1
203.07019	7.4
204.07809	13.9
205.08478	0.5
213.05371	2.5
217.08598	10.5
218.09296	0.7
219.10153	1.1
220.03700	0.7
230.05833	0.9
231.06514	6.6
233.08061	4.5
235.05998	5.7
245.08125	4.1
248.06715	0.6
263.09146	100.0
264.09512	4.2
271.06049	0.5
281.10190	28.5
282.10641	1.5
287.05496	9.1
351.65479	0.4
453.26169	0.4
584.19122	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	584.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22043	3.8
52.47859	3.8
53.03952	6.5
55.01873	4.7
55.05503	9.4
60.08168	7.7
67.05509	13.1
69.03438	11.4
69.07059	9.7
69.07768	18.2
69.08183	14.3
71.05003	11.7
71.08573	4.3
79.05507	25.8
81.03429	24.8
81.07064	48.5
81.76091	4.4
83.04979	5.9
85.02926	6.3
85.06557	10.9
86.09717	22.3
91.05488	22.2
93.07047	70.0
95.04957	12.0
95.08630	5.5
97.02895	13.3
97.06539	16.7
99.04453	22.0
101.06027	6.7
104.10733	25.3
105.07047	47.8
107.04945	5.0
107.08604	14.2
109.02880	12.1
109.06506	36.2
117.07007	5.0
119.08562	26.5
121.06510	76.5
123.08049	4.8
125.00002	9.9
127.03923	12.1
127.07557	12.4
128.06160	4.3
129.07002	7.2
131.08572	13.6
133.06534	7.2
133.10165	16.0
135.04434	10.3
135.08076	8.3
137.06032	7.2
139.07561	17.2
142.07787	18.4
143.08598	23.8
145.10135	17.1
147.08064	11.3
147.11678	42.1
151.07507	4.7
153.01872	6.4
155.08540	4.8
156.09373	13.2
157.10149	39.1
159.08049	6.0
161.09570	4.6
161.13239	5.5
169.10144	4.5
171.11708	44.9
173.09656	10.2
175.07568	6.2
175.11217	17.2
181.10136	7.9
184.07349	44.4
187.11218	6.3
189.12750	39.0
193.12242	6.7
199.11147	27.5
207.13857	30.0
215.10825	4.9
217.12244	83.0
235.13306	100.0
235.15491	7.5
253.14374	15.1
295.10718	4.2
325.14362	7.4
343.15268	8.9
361.16397	5.0
379.17514	19.7
432.86182	5.6
575.48309	5.3
584.27423	6.6
585.29108	12.0
614.13385	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	584.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53421	1.1
53.03951	2.5
53.19047	1.3
55.01888	1.5
55.05516	2.4
57.03431	2.4
60.32504	1.3
61.02902	1.3
67.05518	6.1
69.03430	6.8
69.07052	1.6
70.06586	4.1
71.05000	3.3
74.23775	1.3
79.05492	14.1
81.03412	2.6
81.07053	10.4
82.61028	1.3
83.04971	2.9
85.02910	16.3
87.04447	1.5
91.05477	5.3
93.07063	1.8
95.04968	4.3
95.08587	2.5
95.41890	1.2
97.02875	6.7
97.06506	3.7
99.04463	11.9
105.07045	7.6
107.04967	12.6
107.08604	2.8
109.02878	2.2
109.06511	6.1
109.10163	27.9
111.04430	2.7
117.06999	2.9
119.08571	8.4
121.06500	3.5
125.05997	3.0
127.03903	3.7
128.06219	4.5
129.07019	2.3
133.06511	1.9
133.10115	9.7
137.09618	45.6
143.08577	10.5
145.04941	4.6
145.10112	2.1
146.07254	2.4
147.08070	13.5
161.09622	79.9
162.09959	3.1
163.06017	4.0
163.11163	4.8
165.09125	75.6
166.09480	2.6
171.08090	2.1
174.06664	1.7
179.10684	7.2
183.10094	1.5
189.09109	14.5
207.10170	100.0
208.10475	3.5
225.11221	48.8
226.11443	1.5
243.12297	4.9
263.09097	6.1
281.10422	1.3
325.11551	1.4
332.79785	1.4
369.15210	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	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15919	2.1
51.02400	2.1
53.03940	5.8
55.05517	11.9
56.71022	1.9
57.07080	9.7
57.15985	2.0
65.03945	3.5
67.05505	20.2
69.03430	4.5
69.07071	13.4
69.25632	7.1
69.26050	9.6
70.06586	2.9
71.08641	3.8
77.03943	2.7
77.22215	2.1
79.05489	35.8
80.06276	2.6
81.07059	47.5
81.33367	2.1
83.04983	5.2
83.08612	5.6
85.06552	3.5
88.07664	2.3
89.06028	5.8
91.05475	61.8
91.06010	4.1
92.06278	3.2
93.07042	60.8
94.07381	3.3
95.04961	36.3
95.08601	23.0
97.06504	4.0
103.05470	5.9
105.07029	100.0
106.07329	3.7
107.08592	40.1
108.08846	2.9
109.06534	6.5
109.10174	15.7
114.69746	2.0
115.05448	8.2
116.06208	3.2
117.07018	34.7
118.07848	3.8
119.08582	83.6
120.08846	2.9
120.09484	2.6
121.06505	5.0
121.10142	37.9
122.10538	2.3
123.08067	20.9
123.11729	6.3
128.06224	14.7
129.07018	23.9
130.07767	14.5
131.08569	53.0
132.09424	5.2
133.06564	2.6
133.08621	3.3
133.10127	44.1
134.10919	3.2
135.08078	10.4
135.11696	11.1
137.09616	3.4
138.10406	6.6
141.06963	11.1
142.07791	20.0
143.08566	55.0
144.09297	9.7
145.06476	4.2
145.10115	81.6
146.10550	4.0
147.08063	8.0
147.11684	23.1
147.12723	2.5
149.09590	8.8
149.13268	2.9
151.11194	3.1
153.07022	5.2
154.07782	4.7
155.08566	21.2
156.09361	17.7
157.10127	41.6
158.10916	10.7
159.08037	5.7
159.11687	27.9
161.09633	7.8
161.13239	5.6
163.11177	2.6
165.07042	6.1
166.07800	7.0
167.08604	13.2
167.10629	5.4
168.09338	14.0
169.10127	34.0
170.10901	10.1
171.08098	2.3
171.11691	29.3
172.12378	3.4
173.09677	3.9
173.13232	21.6
175.11145	3.8
175.14799	4.4
177.12787	2.4
178.07875	2.2
179.08572	13.4
180.09378	10.3
181.10120	24.4
182.10916	12.5
183.11699	33.1
183.13194	3.5
184.12425	5.2
185.13297	15.1
186.13835	2.4
187.11148	3.6
187.14789	5.8
189.12778	5.4
191.08470	3.0
191.14336	6.2
192.09335	7.1
193.10098	18.0
194.10924	14.1
195.11659	23.7
196.12347	8.5
197.09624	3.1
197.13252	21.5
199.11168	2.7
199.14879	8.7
201.12799	3.2
203.08514	3.3
203.14337	9.3
205.10069	7.2
206.10863	8.7
207.11665	18.5
208.12462	6.1
209.13271	18.8
210.13954	4.6
211.14771	14.7
213.12830	3.4
213.16408	2.9
217.10268	2.9
218.10873	3.7
219.11685	7.5
220.12411	7.3
221.13286	10.2
221.15236	2.8
222.13904	4.0
223.14819	10.5
224.15540	5.3
225.12820	3.1
225.16422	5.0
227.14331	3.3
231.11685	7.2
232.12444	5.0
233.13283	9.4
234.13792	3.4
235.14830	9.5
237.16393	7.5
239.18001	3.3
244.12685	2.7
245.13258	5.0
246.13841	4.7
247.14861	8.7
248.15416	4.7
249.16405	5.9
250.17014	2.8
251.18050	4.4
253.19482	4.0
256.26349	2.1
259.14841	4.1
261.16446	6.8
262.17044	3.4
265.19577	5.4
271.14661	2.6
273.16327	4.9
275.17920	4.0
276.18591	3.2
277.19528	4.1
280.17914	2.3
283.20776	4.5
300.29031	4.6
303.21167	2.9
311.29544	4.9
317.22849	2.6
319.24228	2.3
321.22015	2.8
323.23639	4.1
329.22775	2.6
335.23572	2.8
336.24280	2.6
354.25281	3.8
423.18140	2.4
446.31943	3.9
566.40472	3.0
574.63055	2.9
584.42090	19.6
584.55731	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	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24269	2.4
53.03951	6.5
53.60792	2.3
55.01851	2.8
55.05513	19.4
57.07081	21.7
59.04985	3.7
59.17222	2.9
67.05509	28.9
69.03438	9.7
69.07072	22.2
70.06609	3.6
71.12428	2.4
79.05498	30.7
81.03421	5.1
81.07056	41.7
83.04996	6.6
83.08620	11.5
85.06557	7.2
89.06047	15.0
91.05482	50.9
93.07044	60.8
94.07359	4.5
95.04958	13.6
95.08615	41.9
96.08973	3.3
97.06544	7.3
98.23442	5.9
102.09229	3.0
103.05482	3.0
105.04471	3.5
105.07032	79.3
106.07352	7.2
107.08598	45.6
108.08863	3.4
109.06515	13.8
109.10163	28.1
110.10509	2.7
115.05469	5.0
117.07006	21.3
119.08585	100.0
120.08897	5.9
121.06533	3.7
121.10145	37.4
122.10527	2.9
123.08080	17.3
123.11718	6.1
125.05981	4.6
128.06233	9.3
129.07002	19.5
130.07825	6.6
131.08574	48.4
133.06537	3.0
133.08604	6.7
133.10135	49.1
134.10472	7.4
135.08035	19.9
135.11690	19.5
137.09647	15.2
139.07550	3.7
141.07007	9.6
142.07791	22.0
143.08600	32.7
144.09261	12.5
145.10135	68.4
146.10556	8.2
147.08072	19.1
147.11714	14.3
148.11920	2.8
149.09656	8.7
149.13196	3.4
151.07530	11.1
153.07048	4.7
154.07841	5.4
155.08528	16.1
156.09290	15.4
157.10132	56.0
158.10822	8.9
159.11702	33.6
160.12169	4.7
161.09665	9.4
161.13248	10.9
163.11182	15.2
165.09116	44.6
166.09473	7.3
167.08582	8.1
168.09299	8.1
169.10155	25.9
170.10878	9.2
171.11693	33.9
172.12296	8.6
173.09648	5.8
173.13274	21.9
175.11191	12.4
175.14835	15.8
176.15274	5.1
177.11346	3.0
177.12779	5.5
179.06967	2.6
179.08545	10.5
180.09338	5.5
181.10167	13.9
181.12222	9.5
182.10927	8.0
183.11731	30.7
184.12289	7.3
185.09564	3.6
185.13300	20.3
187.14816	9.1
189.12709	5.9
190.13464	3.7
191.14346	4.5
193.10170	14.4
193.12260	8.9
194.10847	4.8
195.11722	18.3
196.12381	9.1
197.09618	3.7
197.13226	18.0
198.13823	5.2
199.14844	8.5
201.12727	5.0
201.16374	6.7
203.14337	19.4
204.10973	2.8
204.14799	4.4
205.15829	3.0
206.10782	4.3
207.11671	7.5
207.13643	6.5
208.12427	5.5
208.14365	4.4
209.13316	24.8
210.13718	3.2
211.11415	3.6
211.14879	14.1
213.12752	4.6
213.16312	4.4
219.13867	4.6
220.12486	4.8
221.13261	11.8
221.15318	64.7
222.13873	3.8
222.15802	14.4
223.14862	12.1
225.16344	4.0
233.13222	5.4
234.16159	7.7
235.14877	7.8
237.16492	6.4
239.14478	2.8
239.17870	4.1
247.14723	3.4
247.16936	9.2
249.16292	5.0
251.14417	3.3
253.15817	4.0
255.17303	4.0
263.17990	3.7
265.19659	3.8
271.20700	3.9
275.20129	7.0
286.19284	4.0
287.20120	3.7
297.22253	4.0
299.20111	7.8
300.20746	4.2
300.29037	5.0
311.29510	7.1
325.21799	9.4
337.21527	8.2
352.23956	52.9
353.24356	4.6
365.24747	10.5
397.27478	3.7
398.27997	4.6
399.28833	3.5
404.30682	5.2
412.29745	14.1
425.30283	3.9
438.31177	7.6
491.34952	10.2
492.35437	7.7
504.28528	4.3
504.35965	68.9
505.36237	7.8
566.40631	4.7
584.41840	42.1
584.55823	21.1
585.43243	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	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.05506	17.3
57.07061	19.2
59.23056	4.4
65.88376	3.6
67.05509	23.5
69.03416	7.1
69.07059	22.0
70.06599	5.8
70.90202	4.6
71.08640	4.8
79.05507	28.7
81.03419	5.9
81.07061	41.6
83.08620	14.2
85.06539	6.5
87.89206	4.6
89.06042	32.2
91.05489	33.2
93.07048	48.0
95.04956	11.6
95.08611	34.8
98.23358	12.4
103.05462	3.8
105.07039	71.3
107.08597	45.1
109.06533	12.6
109.10158	21.1
110.67474	3.5
117.07007	21.7
119.08582	85.5
120.08961	4.5
121.06512	6.2
121.10133	35.9
123.08080	16.0
123.11720	5.6
125.09659	6.7
129.07013	17.6
129.90221	3.7
130.07854	6.1
131.08562	39.1
132.09341	5.7
133.08601	20.1
133.10124	47.4
135.08063	11.8
135.11694	18.0
136.70491	3.7
137.06015	3.7
137.09584	9.3
139.07541	6.4
139.11214	4.7
141.06970	9.0
142.07779	18.0
143.08589	45.2
144.09370	12.3
145.10115	55.8
146.11768	4.4
147.08017	14.1
147.11685	21.7
149.09618	8.3
151.07524	12.6
155.08542	15.7
156.09354	19.7
157.10141	56.3
158.10841	6.0
159.08009	6.4
159.11694	33.7
161.09589	8.7
161.13203	11.2
163.11214	18.8
165.09088	32.4
167.08635	4.2
169.10124	25.2
170.10922	6.2
171.11613	31.7
172.12357	5.3
173.09624	5.0
173.13301	23.9
175.11189	16.4
175.14780	14.6
177.11357	5.1
177.12747	6.8
180.09406	6.4
181.10112	12.8
181.12215	9.5
182.10725	4.9
183.11670	28.0
185.13293	22.0
187.11198	6.2
187.14799	9.5
189.12700	7.7
190.13472	5.1
191.14340	5.2
193.10178	5.9
193.12279	10.7
195.11720	24.5
196.12415	7.1
197.13283	20.8
198.13835	5.0
199.11111	5.9
199.14783	9.0
201.12773	6.5
201.16417	6.3
203.14352	19.7
207.11702	7.1
207.13808	11.7
208.14598	9.0
209.13187	19.8
210.13857	5.1
211.13109	5.8
211.14862	8.3
219.13820	6.8
221.13254	10.9
221.15338	70.4
222.15836	5.1
223.14854	19.0
224.15636	4.8
225.12605	5.0
225.16327	11.6
229.31664	4.1
234.16193	12.5
235.14818	7.9
237.12920	4.9
237.16431	9.0
247.16951	10.2
249.16487	6.6
251.18002	6.3
271.16766	5.6
281.18921	5.0
299.20026	11.3
300.28949	8.1
311.29398	20.6
325.21646	13.3
337.21622	12.4
339.28873	10.1
352.23972	97.5
353.24237	6.8
365.24780	17.6
371.22452	9.7
391.26425	6.3
397.27142	8.2
398.28256	10.0
404.30685	9.3
411.28839	7.1
412.29547	18.1
425.30551	6.7
429.32938	4.3
438.31326	14.1
489.33701	7.4
491.35269	18.2
498.20752	4.0
504.35986	100.0
505.36115	17.4
549.41339	10.6
566.48108	4.9
584.41956	27.7
584.56042	51.2
585.42780	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	584.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05512	25.9
57.03444	12.5
57.07075	10.9
66.68194	2.4
67.05508	80.1
68.05837	2.2
69.07066	27.2
71.05001	6.5
71.08627	2.6
79.05495	29.4
81.03416	10.4
81.07062	100.0
83.04993	4.2
83.08629	19.5
85.06540	7.9
85.10168	2.2
85.82080	2.2
89.06033	13.7
91.05485	28.0
93.07048	37.1
95.04967	5.7
95.08614	41.0
95.09184	4.8
97.06541	9.4
97.10162	6.3
105.07040	17.2
107.08587	22.2
109.06504	5.1
109.10180	15.2
111.08094	4.5
117.07027	11.5
119.08561	11.4
120.08926	2.9
121.10145	16.9
123.11703	10.1
129.07030	3.5
131.08577	9.8
133.08604	12.0
133.10098	14.8
135.11678	10.4
137.13306	2.3
139.07422	2.2
143.08574	3.0
145.10097	4.2
147.07997	2.9
147.11700	5.6
149.09602	2.7
149.13260	14.1
151.11139	4.0
157.10155	4.2
159.11665	10.3
161.13332	3.1
161.23552	2.2
163.11150	2.6
163.14850	2.7
165.09082	4.1
175.14888	2.7
177.11249	5.8
177.12773	4.5
185.14764	2.8
187.13333	5.3
193.12206	3.0
195.13863	7.3
213.14877	2.8
219.89337	2.3
221.15376	2.6
222.15668	2.9
229.45763	2.5
234.08185	2.4
243.15894	25.0
249.10982	17.8
263.23801	4.3
267.15881	8.8
269.17447	20.7
283.26239	4.0
287.18527	30.5
311.29453	7.5
325.21075	3.2
332.66998	2.2
332.97607	2.4
337.27390	44.9
338.27780	5.4
339.28793	10.6
492.35559	3.9
505.38837	56.3
506.38928	7.3
531.40143	8.9
549.41370	20.7
550.41785	2.7
584.41479	10.6
584.55652	15.6
585.37543	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38508	3.6
54.44255	3.7
55.05516	20.9
56.00772	3.4
57.03433	13.6
57.07070	13.6
59.06280	4.5
64.98212	3.7
67.05183	6.3
67.05508	84.6
69.07085	26.9
70.06596	5.7
71.04981	5.3
71.08626	3.3
71.30450	4.4
79.05491	25.2
81.03406	9.9
81.07058	100.0
82.32771	3.6
83.04998	5.2
83.08635	22.1
85.06566	5.1
88.07600	3.8
89.06033	24.3
91.05479	20.3
93.07051	39.9
95.08601	36.7
97.06555	8.8
97.10176	5.6
100.52402	3.6
105.07034	14.4
107.08601	20.5
109.10162	15.4
111.08084	4.7
117.07060	6.3
119.08565	14.1
121.10123	19.0
123.08066	6.0
123.11673	11.7
131.08559	11.9
133.08586	16.6
133.10162	13.0
135.11716	8.2
145.10022	3.9
147.11711	4.3
149.13235	14.1
159.11667	7.3
160.11966	4.6
165.09151	5.5
177.11215	4.7
187.13364	5.4
193.09962	4.8
195.13850	6.7
221.15370	7.5
222.15813	3.5
243.15952	18.4
256.26389	5.3
267.15872	13.0
269.17532	31.4
287.18475	28.3
300.28943	10.1
311.29492	13.2
337.27393	53.0
339.28812	7.6
371.22784	6.7
371.82642	3.6
505.38889	61.9
506.39673	4.2
531.40393	13.5
549.41510	26.0
584.41046	6.9
584.56030	42.5
585.56641	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	584.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.05517	16.1
57.03435	6.8
57.07077	10.3
59.04995	3.4
59.34649	2.8
67.05505	100.0
67.94758	2.8
68.05832	2.6
69.07062	13.4
69.18301	13.8
69.18705	8.3
70.06585	4.6
71.04992	17.0
71.08610	4.0
73.42431	2.6
74.85651	3.0
79.05488	24.2
81.07061	56.7
83.04996	3.3
83.08629	9.0
85.06544	4.5
88.47978	2.4
89.06033	22.5
91.05491	20.3
93.07027	22.9
95.05009	3.4
95.08604	34.7
97.06539	4.6
97.10181	4.6
98.22507	4.6
104.51554	2.5
105.07011	11.6
107.08583	15.9
109.06544	3.2
109.10160	51.0
109.86760	2.9
111.08134	3.1
119.08622	14.5
121.10140	7.8
123.11725	4.5
131.08614	5.0
133.08618	10.0
133.10161	7.2
135.11697	8.6
137.09613	8.1
143.08524	3.3
145.10179	8.7
157.10088	5.2
161.13196	4.1
163.11142	3.2
173.11807	5.3
177.11302	3.1
185.13229	3.7
256.26257	4.2
287.18552	12.6
300.28873	4.2
311.29446	9.3
337.27335	28.3
371.22726	3.6
491.37305	84.5
492.37704	8.6
505.86374	3.0
517.39209	4.3
549.41309	31.2
584.56018	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	584.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23083	1.2
55.05515	2.8
57.07077	31.6
67.05508	2.4
69.05546	2.9
69.05962	5.6
69.07067	4.6
70.06593	1.6
71.08632	29.3
73.06567	6.5
81.07056	2.9
81.26830	1.1
83.08620	4.5
85.10174	15.8
87.04475	4.2
89.06033	100.0
90.06406	1.2
91.05482	1.9
93.07061	1.8
95.08614	2.1
97.10188	4.7
99.11734	4.6
105.07011	2.7
107.07049	2.8
107.08600	1.5
109.10183	1.1
111.11733	2.2
117.09147	4.1
118.79587	1.0
119.08591	2.3
121.10162	1.3
121.31668	1.1
123.08109	1.3
127.14861	1.8
130.08615	1.8
131.07062	2.7
131.08588	1.5
133.08609	59.2
175.09596	1.2
177.11232	19.6
180.93822	1.1
193.71185	1.1
197.22659	2.1
221.13806	3.8
239.14905	1.3
241.25359	2.8
283.17477	2.2
285.27872	4.5
300.28922	1.7
311.29443	3.9
327.19986	1.6
329.30304	2.3
371.22745	8.3
448.52826	1.5
518.44824	1.2
567.44354	3.9
584.55933	8.3
585.37628	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	585.1238
Annotation	6''-hydroxybenzoylhyperin
Peak:m/z	Relative Intensity
53.03924	0.4
56.49574	0.3
65.03941	3.5
68.99809	0.7
70.03290	1.0
70.06555	0.4
71.01325	0.3
71.48819	0.2
72.54037	0.2
81.03411	0.9
81.07076	0.4
84.08155	0.3
85.02916	1.3
86.09709	0.6
93.03413	0.4
94.19432	0.3
95.04977	1.6
97.02875	0.7
98.22739	0.4
109.02901	0.7
111.00807	0.5
111.04445	1.5
117.07018	0.3
121.02873	100.0
122.03211	1.6
127.03967	0.5
137.02347	2.0
139.03883	1.4
145.04976	0.5
153.01842	2.5
161.05968	0.3
163.03903	0.4
165.01820	1.4
173.05974	0.4
183.02921	0.5
201.05507	1.5
229.04971	2.4
247.06058	0.5
257.04382	1.6
265.07123	1.5
270.30310	0.3
274.04669	0.5
283.08151	5.8
285.04004	0.5
303.04996	53.8
304.05338	2.7
315.05017	0.4
338.84695	0.3
345.06033	0.9
411.07156	0.7
585.14459	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	585.124
Annotation	6''-hydroxybenzoylhyperin
Peak:m/z	Relative Intensity
53.03952	0.2
55.01884	0.3
65.03944	3.8
67.05524	0.2
68.99792	0.6
69.03435	0.5
69.14410	1.1
81.03426	0.5
85.02889	0.6
93.03404	1.2
95.04981	0.3
97.02887	0.4
109.02878	0.6
110.03678	0.4
111.00834	0.9
111.04444	0.8
114.44137	0.2
119.08630	0.2
121.02869	64.4
122.03201	1.4
123.04445	0.2
125.05975	0.5
127.03891	0.4
131.05002	0.2
135.04503	0.2
137.02351	3.7
137.03400	0.3
137.05974	0.4
139.03915	1.4
145.06564	0.2
149.02338	0.5
151.03879	1.1
153.01817	3.9
153.05452	1.1
154.05847	0.2
155.04866	0.2
161.06004	0.6
163.03906	0.6
165.01830	2.1
166.02625	0.4
167.03719	0.2
173.05995	0.5
174.06374	0.2
177.05421	0.3
178.04240	0.2
183.02908	0.9
183.04358	0.3
187.03929	0.4
195.02905	0.3
201.05429	2.0
205.04996	0.3
209.50351	0.2
219.06506	0.3
229.04973	4.8
229.43492	0.2
239.03488	0.3
246.05188	0.2
247.06050	0.8
253.08673	0.5
257.04492	2.7
258.04770	0.2
265.07074	0.5
274.04755	0.5
275.05472	0.3
282.08847	0.2
283.07944	1.1
285.03928	1.1
303.04984	100.0
304.05334	4.5
313.10641	0.2
315.04840	0.2
326.11069	0.3
327.12238	1.0
339.56378	0.2
340.12552	0.2
341.13876	0.3
345.06070	0.5
357.13202	0.3
358.13550	0.2
359.14877	3.0
360.15244	0.2
369.06271	0.2
371.14523	0.2
447.15912	0.2
521.32825	0.2
585.19849	0.3
585.28912	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	585.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.78166	0.2
55.01859	0.2
58.79483	0.1
65.02895	0.3
65.03267	0.9
65.03940	3.6
67.01868	0.2
67.05492	0.2
68.99792	0.9
69.03436	1.9
70.00179	0.4
71.05000	0.4
81.03420	3.6
81.03858	0.1
85.02911	1.1
91.05507	0.2
93.03389	1.1
93.07056	0.2
95.01082	0.3
95.04959	0.3
97.02894	2.2
98.03696	0.2
98.22753	0.3
99.04462	0.3
105.03412	0.2
105.06995	0.3
107.04975	0.2
109.02881	2.1
109.10161	0.2
111.00816	1.1
111.04443	0.8
117.07049	0.2
121.02870	69.3
122.03199	1.1
123.04424	0.5
126.04074	0.2
127.03899	1.6
131.04919	0.3
135.04388	0.4
137.02339	3.8
137.03389	0.2
137.05978	0.3
139.03906	8.3
145.04950	0.5
145.06503	0.3
147.04424	0.2
149.02357	0.5
153.01839	5.1
155.04918	0.3
160.10039	0.2
161.05951	0.5
162.67548	0.2
163.03954	0.8
165.01857	1.9
166.02591	0.4
173.06015	0.6
177.05478	0.3
183.02924	0.7
185.04262	0.4
187.03912	0.4
191.03392	0.3
195.02843	0.3
201.03723	0.4
201.05469	2.0
203.05173	0.3
205.05011	0.2
219.03044	0.2
219.06525	0.4
229.04947	4.9
230.05293	0.3
247.06029	0.6
257.04446	2.4
265.07098	3.1
270.37033	0.2
274.04745	0.7
275.05502	0.2
283.08130	0.6
285.03949	1.4
303.04987	100.0
304.05325	4.5
315.04257	0.2
331.10004	0.4
345.05969	0.5
369.06036	0.2
387.16211	0.2
585.28809	21.0
586.29102	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	585.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58723	1.0
65.03950	2.3
69.03436	9.2
75.46440	0.9
85.66924	1.0
91.05434	1.2
93.07073	1.1
95.04991	1.4
97.02911	1.1
105.06963	1.1
107.04977	1.2
111.04463	2.7
119.08587	1.3
121.02879	100.0
121.06496	2.4
122.03203	1.8
127.03910	3.7
129.10085	1.1
137.02385	2.8
137.05994	2.0
139.03937	2.2
141.53424	1.0
146.06023	1.2
151.03908	2.4
153.01863	2.1
179.07126	0.9
188.07141	1.0
211.23738	1.1
265.07175	3.4
283.08167	3.3
287.05420	1.6
303.04990	15.8
341.62817	1.1
433.43234	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	585.124
Annotation	Vitexin 2''-O-gallate
Peak:m/z	Relative Intensity
50.01607	0.7
51.02370	0.8
52.98141	0.7
55.01854	0.9
55.54488	0.8
67.05503	1.1
69.03416	2.8
69.39851	1.5
69.40244	3.6
70.06574	1.4
79.01853	6.0
80.45122	0.7
85.02935	1.2
86.09700	1.1
87.00854	0.9
91.05479	0.9
97.02906	1.3
105.03416	1.1
105.07056	1.2
107.01296	1.1
111.04460	1.4
119.04923	0.9
119.08601	0.8
120.08072	1.2
121.02863	10.8
124.54745	0.8
125.02352	3.3
143.03416	7.5
147.04399	0.9
151.03957	1.0
153.01830	100.0
153.02919	6.6
154.02164	2.3
161.02391	1.2
167.03508	1.1
175.07487	1.0
181.06488	1.2
199.99896	0.8
207.02924	2.1
219.06490	1.7
227.07033	0.9
255.06549	1.8
257.65726	0.7
281.06595	3.3
283.06003	8.0
286.04959	1.4
287.05508	3.4
299.05304	14.5
300.06174	3.2
311.05496	28.1
312.05942	2.2
313.03577	1.0
313.07022	2.1
323.05756	0.9
325.07019	4.2
329.06543	35.4
330.06888	1.9
341.06793	1.2
351.08710	1.3
353.06509	6.9
371.07489	1.5
379.08163	6.9
396.89783	0.9
397.09143	10.1
415.10214	8.9
423.23706	0.8
433.11377	4.0
481.07529	3.1
567.10999	1.0
583.62543	0.9
585.12366	5.6
585.25812	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	585.2675
Annotation	Ananolignan M
Peak:m/z	Relative Intensity
54.86621	0.6
55.05503	1.0
56.96572	1.8
57.17223	0.5
62.52822	0.6
67.05499	1.6
69.66143	1.4
69.66528	1.9
79.86155	0.7
83.04981	0.6
91.05488	0.8
95.08597	0.8
98.97580	1.1
109.10168	1.3
112.99133	0.7
122.22750	0.7
131.00151	1.5
149.01262	1.9
152.50609	0.7
160.18791	0.6
167.02264	0.7
225.86600	0.6
241.11185	1.0
254.41571	0.8
293.05450	1.0
311.06543	0.8
349.16843	3.6
352.94086	0.6
367.18036	1.8
413.17850	1.3
516.18781	1.2
585.26709	100.0
586.27167	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	585.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30469	0.7
61.02941	1.1
62.05113	0.9
67.05516	1.0
71.30253	0.9
78.32460	0.9
91.03992	1.4
91.05513	1.0
93.07085	0.9
94.06564	1.0
106.06603	1.0
108.08127	1.5
120.08121	1.3
143.08549	0.8
158.09627	0.8
159.09169	1.2
172.07524	1.0
183.09233	1.9
189.10146	1.2
193.05089	1.0
195.09181	1.2
196.09875	2.0
197.10805	2.1
199.08823	0.9
199.12495	0.9
208.07643	0.9
209.10686	7.2
210.09648	1.1
210.11467	5.3
211.08655	2.1
211.12215	4.6
212.13016	1.5
213.10226	2.0
223.12338	1.6
224.09407	1.1
225.10222	4.6
226.11084	1.7
227.11771	4.3
229.13512	0.8
231.11389	1.3
237.10352	5.3
238.10934	4.1
239.11839	6.0
240.12503	2.9
241.13326	2.0
242.10620	1.6
243.11418	1.7
251.12062	2.0
253.13399	2.8
255.11327	2.8
256.11935	2.1
264.09436	0.9
269.12811	5.3
271.10883	2.9
271.14474	9.1
272.11328	1.0
281.12759	1.6
283.10861	1.8
284.11505	1.6
285.12314	3.2
286.13211	2.5
287.13782	2.0
288.14938	1.2
295.10727	0.9
297.08994	1.6
297.12369	43.3
298.12744	3.2
299.13919	44.3
300.14236	4.0
301.12103	2.5
301.15491	1.8
302.12918	1.4
310.13113	0.9
314.13269	1.2
315.13843	2.7
316.14462	3.9
317.14996	1.0
318.16153	1.1
328.14490	2.9
329.15341	1.3
330.16171	4.6
331.16891	5.8
332.17422	1.8
342.16037	1.0
344.17596	17.7
345.18121	2.0
346.19260	3.6
358.19321	1.0
360.20715	5.8
385.09070	1.4
390.18109	3.1
402.18750	1.8
404.19769	6.4
419.22180	1.7
437.19565	1.3
438.20459	1.0
452.21893	1.8
462.20239	21.2
463.20993	12.9
464.21747	3.6
487.52841	0.9
497.22137	1.2
500.26968	1.0
525.24951	1.3
544.17535	0.9
567.26178	2.7
568.24768	1.0
585.27057	100.0
586.27301	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	585.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.6
69.07078	0.9
69.16579	3.0
69.16985	1.3
70.06589	0.9
79.05483	1.5
81.03433	0.9
81.07072	1.5
88.07656	0.8
91.05485	1.0
93.07040	1.0
94.06567	0.8
95.08586	0.6
98.22619	1.5
102.09152	0.7
105.06971	0.7
107.08591	0.6
108.08141	1.7
109.10181	1.2
119.08567	0.8
120.08078	0.6
132.08101	0.9
134.09621	0.6
136.07610	0.7
149.02396	1.3
158.09665	0.7
166.08655	0.9
168.08197	0.7
180.07999	0.7
182.09749	0.7
183.09230	2.2
184.07419	1.2
189.10277	1.2
190.11050	1.0
193.04951	1.5
195.09200	1.2
196.09845	1.3
197.10712	3.4
198.11430	1.0
199.12375	1.1
209.10739	9.5
210.11476	5.5
211.08762	2.5
211.12299	5.4
212.13083	2.6
213.10197	1.8
213.13763	0.9
214.11031	1.0
223.12358	2.1
224.09520	1.2
224.13025	1.0
225.10204	5.4
225.13844	1.7
226.11005	2.0
227.11789	2.9
228.12181	0.7
228.23279	1.3
229.13416	1.4
231.11272	0.8
237.10252	5.7
238.10915	4.6
239.11783	6.9
240.12570	3.7
241.13300	2.6
242.10516	1.7
243.11328	1.6
251.11839	1.4
253.09622	1.0
253.13490	3.5
255.11354	2.7
255.15137	0.7
256.12115	1.5
257.13004	0.9
269.12836	5.8
271.10861	2.3
271.14478	8.8
273.12256	1.3
279.11316	2.0
281.12863	1.5
283.10721	1.4
283.14255	1.1
284.11615	2.2
285.12292	3.4
286.13031	3.9
287.13568	3.3
288.14972	0.9
297.12347	46.2
298.12671	4.9
299.13919	40.8
300.14218	3.1
301.12244	2.1
301.15561	2.6
302.12805	1.7
309.12131	0.7
314.12820	1.4
315.13571	1.0
316.14539	3.5
317.15292	1.1
318.15952	0.8
328.14587	1.8
329.15225	1.4
330.15994	5.6
331.16745	5.4
332.17517	2.5
335.13739	1.1
338.75818	0.6
342.15897	0.8
343.16898	0.7
344.17603	15.5
345.18091	1.5
346.19131	3.9
360.20810	4.3
384.16977	0.9
385.09265	1.2
388.16473	0.8
389.17075	0.7
390.18198	3.7
391.18283	0.8
402.18097	1.1
403.19000	1.4
404.19687	6.4
407.14862	1.0
408.15616	0.8
419.22101	1.9
422.17499	1.1
423.18011	1.3
435.63904	0.7
437.20206	1.3
438.20450	1.2
448.18649	0.9
451.21381	1.6
452.22079	1.2
453.22708	1.6
462.20270	20.7
463.21014	14.0
464.21793	2.9
467.24335	1.0
497.22165	1.6
511.23080	0.8
512.23950	1.3
518.70587	0.7
525.25049	1.0
541.28333	1.3
567.25952	2.3
568.24780	1.0
570.24268	1.8
585.27057	100.0
586.27417	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32314	0.3
51.38321	0.3
58.98057	0.3
62.12053	0.3
67.05545	0.3
69.07060	0.4
71.28502	0.4
72.08135	0.4
79.05471	0.4
81.03430	0.5
81.07043	0.5
83.01125	0.9
85.02914	0.4
86.09747	0.4
91.05543	0.5
95.01069	0.5
95.04990	0.5
105.07014	2.3
121.02881	3.2
121.03768	0.4
121.06548	1.2
122.83338	0.3
139.03836	0.5
153.01920	0.6
156.03946	0.4
157.04782	0.3
166.57787	0.3
184.03360	0.4
185.04237	1.1
201.03719	1.0
203.05324	1.3
259.07892	2.0
303.05017	4.2
331.09894	2.2
345.11703	0.6
373.14789	0.4
387.16315	1.0
401.17767	1.1
422.15497	0.4
423.23621	1.7
469.20432	1.1
515.20953	1.3
567.27423	0.3
585.28839	100.0
586.29156	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	585.3248
Annotation	Caracurine V
Peak:m/z	Relative Intensity
55.05511	1.2
57.03452	0.6
59.04998	0.6
59.97836	0.5
63.16103	0.5
67.05506	2.8
69.07069	0.8
69.86954	1.9
72.82369	0.5
76.48922	0.5
79.05504	2.5
79.29103	0.6
81.03426	2.9
81.07063	2.8
83.04992	0.9
83.08595	0.8
85.61140	0.6
91.05495	2.4
93.07066	2.7
95.04983	1.1
95.08634	1.5
97.06554	0.7
105.07056	1.4
107.04964	2.4
107.08624	1.5
109.10224	1.6
119.08647	1.8
121.06594	0.8
121.09421	0.5
121.10141	3.4
129.07060	0.8
131.08609	1.2
133.10173	1.1
139.03854	0.6
139.11285	0.6
147.11703	0.7
149.09644	1.4
157.10184	1.0
169.10077	0.6
175.11195	0.6
193.12259	1.1
233.11620	0.8
251.12546	1.3
267.16092	1.0
269.13651	4.0
283.15192	11.8
307.15170	1.2
325.16293	2.6
331.31198	0.6
339.17926	4.9
411.20276	0.6
541.30042	2.0
567.31171	3.1
576.53046	0.6
585.32544	100.0
586.33014	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	585.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.7
56.17631	12.1
57.07081	16.9
64.97694	11.2
67.05493	36.9
69.07090	28.3
69.92455	47.3
79.05484	46.7
81.03419	15.4
81.07059	83.6
89.06026	25.8
91.05508	67.4
93.07052	90.0
95.04964	24.1
95.08619	43.1
105.07034	88.8
107.08594	47.6
109.10155	41.9
111.86224	12.4
117.06978	26.3
119.08590	100.0
121.10156	69.0
129.06985	21.2
131.08574	38.4
133.10121	49.5
134.10385	12.4
135.11749	15.9
142.07732	29.1
143.08548	36.2
145.10127	56.0
147.11636	27.6
157.10114	41.6
159.11722	25.3
167.10693	17.7
169.10081	24.6
171.11644	27.9
183.11652	15.0
195.11671	14.6
197.13216	14.0
213.16399	20.0
312.29694	14.8
408.78558	16.7
409.51669	13.1
429.63275	13.4
477.42667	15.4
528.76300	12.7
585.56458	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	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19916	0.7
53.03942	2.8
55.01870	2.3
60.22469	0.7
65.03933	4.2
67.05502	1.5
69.30286	3.2
69.30690	1.6
70.06594	1.2
70.68272	0.6
75.04488	3.2
75.30198	0.7
77.03931	1.0
78.04714	3.1
79.05492	3.3
80.41026	0.8
81.03436	1.2
85.02923	4.4
89.03909	1.0
89.06023	0.8
91.05481	12.7
93.03420	12.4
93.07037	5.9
95.04988	4.8
95.46056	0.8
96.07216	0.9
97.06544	3.4
103.05483	6.6
105.03426	0.8
105.07040	9.1
106.04179	31.0
107.04977	1.4
109.06509	1.0
115.05444	2.0
117.03391	1.0
118.04171	1.8
119.04944	2.9
121.06514	37.0
123.04473	1.1
125.06008	6.3
127.03902	1.4
131.04941	2.3
133.02863	4.2
133.06491	7.6
134.03644	5.1
135.08022	0.9
137.05988	7.3
138.06744	2.1
139.07549	2.0
147.04395	3.0
148.05180	2.7
149.05983	49.4
150.06300	1.1
151.03964	1.5
151.07558	2.5
153.01878	1.7
153.05510	1.5
153.09106	13.7
161.05977	17.9
163.07564	3.0
165.05519	2.0
166.06233	1.6
167.07036	4.7
177.05469	24.5
179.07104	1.5
181.08595	21.5
182.08972	1.1
191.07031	11.7
193.08612	12.5
209.08098	100.0
210.08397	4.4
341.13754	1.0
359.14838	1.0
371.15021	1.0
394.19363	1.0
464.61957	0.8
480.12424	0.8
586.19012	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	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01872	2.3
63.39631	1.1
65.03949	2.1
69.71140	4.5
69.71566	1.7
69.97143	1.0
70.06561	1.3
70.80354	1.0
70.89169	1.0
71.54945	1.0
75.04479	3.8
78.04713	3.9
79.05485	2.8
85.02924	2.5
91.05484	15.1
93.03413	12.1
93.07083	5.3
95.04951	5.1
97.06533	2.4
98.22688	1.5
103.05463	7.5
105.07051	5.4
106.04179	30.0
107.05026	1.5
118.04134	1.6
119.04946	2.8
121.06509	33.4
123.04375	2.3
125.05996	6.7
131.04938	2.3
133.02843	4.0
133.06465	5.1
134.03616	4.5
137.05972	6.0
138.06760	1.3
139.07516	2.1
145.02823	1.5
147.04428	2.6
148.05177	3.8
149.05983	47.8
150.06316	1.9
151.07562	2.9
153.01790	2.7
153.05475	1.7
153.09090	13.1
161.05991	10.2
163.07524	4.6
165.05527	2.9
177.05496	22.0
181.08588	21.5
191.07024	14.8
193.08601	8.4
193.16139	1.1
209.08095	100.0
210.08372	4.6
277.14700	1.1
379.07712	1.1
431.22412	1.4
461.11227	1.2
464.57837	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	586.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01643	0.9
55.01867	5.1
55.05512	2.2
57.03449	0.8
61.02930	1.1
67.05509	2.4
69.03433	4.3
69.07068	4.2
69.17095	6.8
70.06588	2.7
71.05008	2.2
79.05515	4.5
79.05929	0.9
80.87107	0.8
81.03419	0.9
81.07059	5.5
83.05008	1.0
84.08179	0.9
85.02901	5.0
85.06569	4.5
85.52071	0.8
86.09724	1.3
87.32141	0.8
88.02229	0.8
91.05495	2.5
93.07046	10.0
95.04977	2.3
95.08612	5.3
97.02905	1.3
97.06542	6.5
98.22620	1.9
99.04449	5.8
105.07027	8.6
107.04952	0.9
107.08604	21.3
109.06528	3.8
109.10121	0.9
111.08096	1.4
113.06005	3.4
117.07020	1.0
119.08554	4.5
121.06532	6.9
121.10147	10.7
123.08074	3.3
127.03940	1.6
135.08047	1.3
135.11711	6.6
145.04971	1.7
145.10121	8.5
147.11649	1.0
148.88988	0.8
149.09618	4.0
151.07571	2.8
163.11192	28.6
164.11530	1.1
165.12903	0.8
167.10690	11.8
169.08604	36.1
169.10057	1.8
170.08923	1.3
173.09648	1.8
180.08717	0.8
181.12267	10.1
185.11765	4.4
191.10675	14.7
191.12314	1.5
193.76364	0.9
209.11728	17.9
209.13565	1.4
214.82986	0.9
227.12784	100.0
228.13109	5.6
245.13812	9.5
246.14406	1.1
284.43994	0.8
292.15732	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	586.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47101	0.8
55.05512	1.7
57.07081	34.0
67.05518	0.9
69.07065	1.9
71.08633	23.2
71.87491	0.7
73.06561	7.3
74.83559	0.6
79.05498	0.8
83.08633	2.9
85.10185	19.1
87.04461	5.6
89.06035	100.0
90.06361	1.3
95.08595	1.0
97.10168	3.5
99.11729	4.3
107.07074	3.0
113.13255	1.3
117.09128	6.3
130.08720	1.2
131.07034	2.4
133.08606	47.9
134.08873	1.1
155.17966	4.7
161.11745	2.0
175.09645	0.7
177.11229	19.8
179.12901	0.7
199.20592	4.0
221.13928	2.4
226.80460	0.7
234.43311	0.7
235.90739	0.8
239.14844	1.1
242.85907	0.7
243.23195	8.2
264.69647	0.7
265.16595	0.9
283.17346	1.1
287.25784	3.2
327.19879	0.8
371.23114	0.9
380.80414	0.7
415.25314	2.4
415.89291	0.7
525.40167	1.0
569.42523	2.9
586.44781	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	587.1034
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.13484	1.3
53.01738	1.1
55.01862	1.4
69.03428	8.9
71.30153	1.6
78.97787	1.0
79.01849	3.1
81.03433	1.6
85.02910	1.4
95.04929	1.3
97.02904	15.9
107.97841	1.2
115.03936	5.0
119.04948	1.5
121.02893	1.5
125.02328	2.5
131.04918	2.4
137.02380	2.8
143.03392	4.7
144.28941	1.4
147.04396	3.8
151.03928	2.6
153.01839	100.0
153.02928	5.1
159.04494	1.8
163.03918	2.1
177.05449	2.6
179.03430	5.6
193.05006	2.7
203.62350	1.1
205.04955	11.4
207.02876	12.0
218.08249	1.7
221.04433	5.7
229.04962	1.6
229.08568	1.4
231.02905	3.4
249.03926	7.9
267.05002	23.1
273.11221	7.7
274.97488	1.9
285.06046	7.0
303.05005	23.0
327.05087	1.2
345.06061	2.8
358.08304	1.1
381.97693	1.2
491.44958	1.3
587.17499	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	587.1032
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
51.02382	0.3
56.03476	0.3
69.26972	0.8
69.27378	1.4
77.68932	0.4
79.01859	2.6
97.02874	0.9
105.03413	0.3
107.01298	0.6
123.04490	0.4
125.02347	1.4
137.02429	0.3
143.03418	3.0
145.10297	0.3
153.01836	100.0
153.02829	4.4
154.02171	2.4
164.27513	0.3
183.53990	0.4
195.02925	0.6
237.03943	1.5
285.06058	10.8
286.06210	0.4
303.05035	1.5
319.03552	0.3
327.04694	0.3
345.06161	0.5
459.75348	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	587.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40961	0.5
55.05504	1.0
58.29628	0.6
67.05507	4.4
68.05843	0.6
69.07076	1.0
69.94480	0.5
79.05478	3.0
79.27161	0.6
81.07060	4.8
82.28435	0.6
83.08618	1.0
91.05482	2.2
93.07073	3.2
95.08607	3.0
97.06551	1.1
99.07098	0.6
105.07087	0.7
107.08584	2.1
109.10146	1.1
112.32616	0.7
119.08543	1.0
121.10190	1.1
131.08582	1.4
184.68761	0.6
194.24103	0.7
216.34370	0.6
235.12988	3.4
291.15790	3.5
301.21317	0.7
311.21906	0.7
318.53564	0.6
319.22382	3.9
375.25183	2.6
489.35736	0.9
517.48816	0.7
568.32959	0.8
587.39178	100.0
588.39594	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	587.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.2
53.03956	5.1
55.01878	10.9
55.05513	25.2
57.03437	2.4
57.07081	33.9
62.72428	0.9
65.03937	2.8
67.05508	48.1
68.04090	1.0
69.03421	1.8
69.07072	41.6
70.07397	1.6
70.79935	2.2
71.04979	1.7
71.08639	23.4
73.18018	1.4
79.05494	34.5
81.03409	7.3
81.07059	71.3
82.07423	2.2
83.04981	8.1
83.08627	22.4
85.06559	2.4
85.10182	11.7
91.05484	46.8
92.05834	1.6
93.07044	30.1
95.01341	11.1
95.04979	10.4
95.08610	48.8
97.06532	16.3
97.10181	9.2
99.08111	3.1
101.06044	1.3
103.05484	1.7
105.07036	62.7
106.07405	1.5
107.04961	20.1
107.08599	15.9
109.06517	8.7
109.10165	17.1
111.08095	4.9
111.11707	1.3
113.09657	3.2
115.05501	1.6
117.07014	13.6
119.08582	38.4
121.06522	4.0
121.10147	10.9
122.10477	1.2
123.04482	1.6
123.08047	5.1
123.11728	5.5
125.09616	1.4
127.07575	1.4
129.07042	3.0
131.08569	21.7
133.06540	1.6
133.10141	36.9
135.08072	4.6
135.11681	8.5
135.12431	0.9
137.09630	2.5
137.13226	1.6
139.07507	1.5
141.07027	1.7
143.08582	3.2
145.06512	1.3
145.10121	17.9
147.07991	1.1
147.11693	17.7
147.48384	1.0
149.09612	8.2
149.13315	5.8
151.11217	3.2
155.08498	1.4
157.10167	4.9
159.11674	11.5
161.09532	1.1
161.13222	6.1
163.11171	8.1
163.14883	1.7
165.09059	1.3
165.12820	3.4
169.10204	1.6
171.11713	3.0
173.13319	4.2
175.14902	1.3
177.12776	5.6
179.14320	22.6
183.11717	2.1
187.11232	3.5
187.14806	1.8
189.12744	1.7
193.12265	1.6
195.13826	1.8
197.13219	2.3
205.12263	2.1
219.17508	5.7
229.19569	2.7
237.22226	2.6
239.18053	4.6
239.23822	3.3
241.14606	1.4
247.20610	4.3
257.19034	11.3
275.20074	100.0
276.20364	5.6
277.21558	6.2
292.63934	1.2
293.21161	7.8
307.12915	1.4
313.27344	2.4
331.22702	2.9
340.86060	1.2
349.23843	3.0
363.19205	2.7
419.25824	1.3
475.31790	2.3
531.37891	3.8
568.48016	1.1
570.44019	1.8
587.46729	79.2
588.47083	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	588.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39063	0.3
64.04317	0.3
67.27566	0.4
70.06593	0.7
71.05001	0.7
71.08634	21.0
71.28051	0.4
83.51959	0.3
86.09706	3.7
88.11270	100.0
89.11613	1.9
97.79797	0.3
109.02892	0.4
112.33044	0.3
113.06014	1.3
121.06508	0.6
131.07008	0.4
132.10216	2.8
140.45798	0.4
149.01765	0.3
149.08122	1.4
153.01839	2.5
228.53427	0.3
289.59137	0.4
318.26428	0.4
526.90985	0.4
555.51813	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	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98839	1.2
50.99074	1.2
67.05543	1.2
70.06596	2.3
79.05513	4.5
85.02893	1.3
91.05499	6.2
95.04989	2.5
98.23384	4.7
103.05484	5.7
105.07039	17.9
107.04977	4.3
109.06612	1.5
118.04184	5.9
119.04939	4.6
121.06510	4.0
123.04434	3.3
123.08054	2.4
124.05227	1.6
131.04947	8.7
133.02864	5.4
133.06483	15.4
133.07288	1.4
134.07317	2.0
135.04410	2.4
135.08098	4.3
137.05977	10.4
139.03871	1.5
147.04428	4.1
149.05995	3.6
150.06766	11.4
151.07570	5.4
153.01826	6.5
161.05954	3.2
161.94652	1.3
163.03938	1.8
163.07547	10.0
165.09137	11.8
167.07051	8.8
177.05556	1.6
178.06310	1.9
179.07106	4.0
193.08617	58.0
194.08949	2.1
211.09674	100.0
212.10039	4.1
229.48770	1.4
269.04477	4.5
361.16586	3.0
437.08618	2.3
521.88055	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	588.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35092	4.1
50.82954	4.7
51.82790	3.9
53.03933	5.6
55.01871	4.8
55.05520	7.8
67.05506	10.4
69.03437	10.9
69.07059	14.1
71.04973	5.1
71.30044	5.0
73.18964	4.7
79.05487	23.2
81.03429	24.2
81.07061	41.6
83.04987	26.8
85.02898	5.4
91.05489	16.2
93.07063	56.6
95.04954	15.0
95.08614	18.7
97.02898	10.1
97.06537	36.3
99.04470	15.4
105.07023	38.8
107.04981	5.7
107.08585	28.9
109.02880	16.1
109.06530	27.0
111.08038	5.8
119.08591	34.4
121.06518	59.1
121.10133	8.7
123.08070	8.9
123.11691	5.4
125.02384	26.3
125.05973	24.5
127.03921	39.9
127.07559	12.5
127.76519	4.4
131.08563	10.9
133.10152	13.8
135.08070	15.4
137.05989	8.7
139.07561	11.7
143.07047	24.3
143.08611	9.8
145.10104	8.9
147.07979	6.6
147.11674	61.4
153.09120	8.3
156.09341	8.8
157.04996	26.1
157.10139	15.6
159.07986	5.4
161.09578	5.5
161.13277	9.0
165.12744	27.1
171.11716	19.0
173.09706	4.7
175.11195	37.4
189.12778	28.6
193.12294	33.1
199.11209	23.7
207.13779	13.4
209.15404	7.6
211.13269	6.9
215.10680	5.4
217.12254	75.0
229.14371	9.3
235.13275	100.0
235.15448	6.5
236.13644	4.6
247.06065	16.8
253.14369	61.7
265.07117	12.4
296.70169	4.6
313.15375	5.0
361.16617	7.5
379.17831	21.7
394.71124	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	589.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36105	0.3
63.00316	0.3
63.61310	0.3
68.09513	0.3
69.71352	0.3
70.06620	0.3
73.42013	0.3
95.96116	0.3
114.26688	0.3
123.04472	0.5
143.03416	0.4
153.01839	5.4
153.02945	0.7
163.03946	0.4
180.29152	0.3
185.04221	0.5
189.05180	0.4
191.03506	0.7
192.07889	0.3
219.02989	0.5
219.99522	0.4
361.77405	0.4
367.12030	0.4
381.13382	0.8
383.14600	1.6
411.10800	0.5
426.13062	0.4
427.13705	4.9
514.17834	0.4
546.16058	0.4
589.18903	100.0
590.19159	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	589.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	1.5
51.02390	1.2
53.03944	7.5
53.19635	0.9
55.01875	11.6
55.05514	32.1
57.03445	6.0
57.07091	1.5
59.05005	1.0
60.08159	4.3
65.03938	5.9
67.05508	68.9
68.05833	1.4
69.03432	5.0
69.07072	16.3
70.25321	1.0
70.42925	1.2
70.43239	1.8
71.04996	4.1
71.07376	1.3
73.06557	2.0
76.44421	0.9
77.03912	2.2
79.05498	79.7
80.05812	1.5
81.03429	13.7
81.07060	100.0
82.07409	2.2
82.27147	1.0
83.04985	21.8
83.08627	18.6
85.02908	5.1
85.06575	2.5
86.09711	13.1
87.10048	4.0
91.05483	60.1
92.05800	1.3
93.07050	53.8
94.07383	2.0
95.04971	32.5
95.08611	29.8
97.02881	1.6
97.06540	10.2
97.10177	18.0
98.98454	1.5
99.04462	2.9
99.08097	1.7
103.05449	2.7
104.10773	1.4
105.04517	3.7
105.07038	43.7
106.07415	1.6
107.04962	12.6
107.08598	25.1
109.02869	1.8
109.06526	14.5
109.10167	11.1
111.04442	15.2
111.08074	9.7
115.05461	3.5
117.07025	16.6
119.04962	2.1
119.08587	34.1
121.06497	10.6
121.10153	14.5
123.04441	1.2
123.08081	21.8
125.00018	9.6
125.06001	1.7
125.09641	15.0
126.00366	1.3
128.06242	4.1
129.07019	18.4
130.07761	1.1
130.91031	1.0
131.08586	13.2
133.06511	4.6
133.10139	15.5
135.08057	8.0
135.11707	9.1
137.09628	4.5
139.07494	1.3
141.06984	2.4
142.07732	1.3
143.08575	12.8
145.06468	2.7
145.10130	21.7
147.08069	7.4
147.11693	25.1
149.09641	5.8
149.13229	2.1
151.11240	1.1
153.09119	4.0
153.12744	8.8
155.08591	2.8
157.10146	4.3
159.08075	3.4
159.11710	6.6
161.09622	7.2
161.13289	8.7
163.11194	13.0
165.09119	4.1
165.12744	2.1
167.08545	1.0
169.10141	1.9
171.08031	1.5
171.10245	2.1
171.11685	19.4
172.12003	1.2
173.09660	5.1
173.13203	1.6
175.11169	3.4
177.12724	2.5
181.10783	1.2
181.12198	8.0
183.11784	1.2
184.07359	44.2
185.07750	10.5
185.09401	2.1
185.13298	1.6
185.38773	1.0
187.11189	1.5
189.11244	15.3
189.12779	8.9
191.10672	6.9
193.12291	2.6
197.13235	1.9
199.11240	1.3
205.12216	2.0
207.13789	15.8
209.11696	1.1
211.13153	1.4
211.14922	1.1
223.13280	8.7
225.14993	1.3
227.12785	16.1
227.17926	1.9
228.13045	1.5
245.19073	3.7
249.14879	2.3
255.17464	3.4
263.20004	1.6
273.18500	30.0
274.18790	1.3
275.20071	1.2
281.17477	28.2
283.15372	2.8
291.19550	51.5
292.19934	3.7
309.20679	1.7
327.23315	2.2
329.21124	1.1
347.22028	5.6
365.23245	12.1
451.26840	1.7
486.25931	1.3
507.29816	1.6
553.34857	3.6
554.34937	1.4
571.36475	17.7
572.36145	2.2
589.37646	11.7
590.37164	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	589.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01883	5.1
55.05507	16.7
55.48545	2.1
57.03433	3.5
57.07077	26.8
65.03933	2.9
67.05505	47.3
69.07070	20.1
69.23238	12.8
70.44724	1.9
71.04993	3.5
71.08633	37.1
79.05489	28.4
79.82479	2.1
81.03423	5.6
81.07059	48.2
83.05000	6.8
83.08628	14.2
83.84325	2.1
85.06489	2.7
85.10182	10.8
89.03908	7.6
91.05474	23.6
93.07040	32.2
95.04964	7.2
95.08616	39.5
95.09173	3.6
97.06541	5.4
97.10196	3.2
99.08101	16.9
103.30347	2.3
105.07013	15.1
107.04959	4.9
107.08598	17.5
109.06474	2.9
109.10174	16.7
111.04427	2.9
111.08061	2.5
113.09660	2.9
117.03382	21.4
117.07002	4.3
119.08576	9.6
121.10160	14.5
123.11714	2.4
125.09675	2.1
129.06979	2.0
131.08646	2.5
133.10138	7.7
135.11710	19.6
137.06010	2.0
137.09634	2.7
139.29832	2.0
145.02846	43.0
145.10106	4.0
146.03258	2.0
147.11711	4.7
149.05972	6.9
149.13297	6.4
151.11171	10.2
159.11746	3.5
161.13274	9.4
163.11115	5.5
176.01472	2.1
176.24255	2.3
177.05475	100.0
177.07027	4.8
178.05757	4.0
179.14316	53.8
239.23686	3.2
241.19456	2.6
253.14177	10.2
259.20544	3.4
277.21597	43.4
295.22580	4.3
313.27399	5.6
354.52606	2.5
405.50336	2.3
452.26526	2.1
491.36475	2.5
589.40442	59.8
589.48322	46.9
590.40680	7.9
590.49133	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	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	44.4
57.03441	15.3
57.07079	58.0
67.05508	100.0
68.88902	7.2
69.05766	61.6
69.07068	41.0
71.05016	8.1
71.08633	38.5
79.05502	63.7
81.07066	99.6
83.08636	32.3
83.91327	5.5
85.10182	21.0
91.05482	59.6
93.07047	87.3
95.08608	80.5
96.08974	5.8
97.10176	18.5
99.08102	8.4
105.07035	70.4
107.08620	45.7
109.10159	35.6
110.68108	7.2
111.08118	6.9
113.09627	5.9
117.07054	12.5
119.08575	65.3
121.10145	37.3
123.11713	14.0
131.08571	30.2
133.10126	51.6
135.11670	35.6
137.05978	10.0
145.10146	25.9
147.11687	67.5
149.13263	23.8
157.10226	6.3
159.11705	19.7
161.13298	36.3
163.11131	7.4
171.11743	10.9
173.13226	19.9
175.14894	12.0
185.13219	9.9
231.21133	8.8
241.19574	40.1
251.85913	6.9
259.20569	88.8
261.22122	19.4
269.74112	6.5
277.18356	7.4
277.21619	22.3
311.25870	21.6
313.27414	92.0
315.23157	12.5
333.24051	51.1
335.25827	17.0
363.29077	7.9
570.39093	7.9
571.46820	20.4
589.48547	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05278	2.4
55.05515	22.2
57.03442	8.7
57.07080	52.9
61.77916	1.9
67.05510	47.9
69.07075	20.7
70.79639	2.9
71.04983	1.9
71.08633	30.8
79.05492	39.1
81.07056	54.9
83.08624	17.6
85.06519	2.2
85.10188	16.6
88.28845	2.1
89.06055	3.1
91.05488	47.1
92.05791	1.7
93.07043	39.9
95.04992	4.8
95.08611	45.9
96.08988	2.0
97.06542	3.2
97.10170	8.7
99.08077	4.6
103.07561	1.9
105.07033	53.4
107.04974	2.8
107.08594	26.8
107.25712	1.8
109.06555	2.4
109.10165	20.6
111.11732	2.1
113.09673	2.9
117.06996	13.8
119.08588	44.7
120.08934	2.8
121.10133	17.4
123.11740	9.8
129.07016	11.3
131.08577	22.1
133.10138	36.8
135.08037	3.3
135.11693	18.6
137.13309	2.4
139.07440	2.0
143.08565	7.9
145.10144	17.0
147.11690	42.0
149.13286	10.4
151.11192	3.2
157.10159	7.8
159.11690	16.9
161.13283	30.4
163.11214	4.6
163.14822	3.9
171.11749	11.4
173.13229	12.2
175.14801	16.2
179.14359	2.7
185.13254	10.9
187.14845	3.8
189.16402	2.0
199.14900	5.4
215.17982	2.3
231.21162	8.0
239.23715	7.2
241.19508	36.5
242.19962	3.2
259.20590	88.0
260.20804	5.7
275.20209	3.7
277.21686	10.2
300.80862	2.0
313.27359	100.0
314.27750	6.5
315.23163	5.4
333.24216	43.5
334.24420	3.2
464.61752	2.2
497.43237	2.8
514.05585	2.4
571.47443	6.4
589.47968	24.6
590.47876	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01865	5.5
55.05516	28.4
57.03440	13.7
57.07079	65.0
65.03941	3.0
67.05506	66.7
69.07110	21.4
71.04997	2.8
71.08633	43.7
72.08962	1.3
75.04477	1.5
79.05495	51.8
80.05842	1.0
81.03387	1.5
81.07060	68.2
83.05013	2.0
83.08620	21.3
85.06515	2.8
85.10187	25.2
89.06034	2.3
90.11023	1.0
91.05482	70.9
93.07049	61.0
94.07378	1.2
95.04992	5.8
95.08608	61.0
96.08965	2.0
97.06525	4.1
97.10178	9.7
99.08090	6.0
99.11731	1.2
103.05450	1.6
103.07603	2.0
105.07034	82.2
106.07388	2.1
107.04984	2.0
107.08592	31.9
109.06526	3.8
109.10156	27.0
111.08086	5.0
111.11707	2.7
113.09631	3.7
115.05443	2.1
117.07033	17.0
119.08582	72.4
121.10151	24.2
123.08049	1.8
123.11690	9.2
125.09653	2.1
125.13256	1.4
128.06248	2.3
129.06999	10.6
130.07764	1.2
131.07597	1.5
131.08565	23.4
133.10133	50.7
134.10458	2.2
135.08089	2.0
135.11705	23.0
137.09641	2.4
137.13287	2.7
142.07770	1.9
143.08554	12.7
145.10130	22.8
147.08089	1.1
147.11691	53.5
148.12025	1.3
149.09648	3.0
149.13263	14.8
151.11172	2.6
157.10120	13.2
159.11700	20.6
160.21661	1.2
161.13269	42.3
163.11189	4.3
163.14842	4.4
165.12775	2.2
171.11702	14.3
173.13261	14.0
175.11249	2.0
175.14832	14.7
177.12726	1.9
179.14349	2.5
185.13217	10.5
187.14848	5.0
189.12836	1.4
189.16476	1.3
199.14822	8.2
201.16426	1.3
207.94318	1.0
213.16400	3.1
215.18069	1.8
217.19542	2.2
231.17484	1.2
231.21059	8.2
239.23697	6.0
241.19508	43.0
243.21069	2.6
257.19113	1.5
257.24783	2.7
259.20587	99.8
260.20923	4.8
275.20129	1.7
276.19989	1.3
277.21625	10.3
299.06247	1.3
313.27359	100.0
314.27756	5.7
315.23056	6.4
333.24258	49.5
334.24600	3.3
351.25284	3.6
497.42917	2.3
543.09253	1.3
571.47235	9.4
572.47491	1.8
589.48218	20.2
590.49036	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
54.64357	0.8
55.01876	4.4
55.05516	14.2
57.03435	8.4
57.07080	52.2
65.03934	1.7
67.05510	38.4
68.05849	1.2
69.07070	16.9
71.04989	2.9
71.08637	36.1
75.84055	0.8
79.05065	1.7
79.05501	24.1
80.05829	0.8
81.07059	45.7
83.05009	1.9
83.08618	17.2
85.06541	2.5
85.10185	21.2
89.06004	1.3
91.05484	32.8
92.05804	1.3
93.07051	33.8
95.04968	2.8
95.08614	44.8
97.06516	1.9
97.10181	7.8
99.08096	4.7
99.11738	1.6
103.03949	1.0
103.07615	1.5
105.07037	37.8
106.07359	1.0
107.04927	1.1
107.08598	18.7
109.06497	2.2
109.10162	20.0
111.08080	3.1
111.11710	1.5
113.09660	3.0
117.07023	8.0
119.08584	34.7
120.08990	0.9
121.06499	1.0
121.10152	13.4
123.11723	6.2
128.06209	1.7
129.05452	1.0
129.06998	5.3
131.08575	13.9
133.10130	31.5
135.08121	1.0
135.11684	14.1
137.09590	1.3
137.13266	2.5
142.07884	1.0
143.08572	6.0
145.10126	15.0
147.11697	33.5
148.12035	1.5
149.09618	2.6
149.13286	9.9
151.11186	3.0
151.14807	1.5
157.10133	6.7
159.11705	14.0
161.09656	1.2
161.13269	29.0
161.14584	1.8
163.11177	2.3
163.14795	4.9
165.12781	1.8
170.10994	1.2
171.11708	10.9
173.13278	11.6
175.11238	1.5
175.14859	13.6
177.12773	1.1
179.14391	2.3
183.11656	1.1
185.13309	7.9
187.14879	3.8
189.12758	1.5
191.14270	1.2
199.14865	5.2
203.14362	1.8
213.16322	1.8
215.18036	2.0
217.19644	1.7
221.22472	1.2
231.17444	1.6
231.21082	7.2
239.23689	8.3
241.19524	33.1
242.19810	1.3
252.73582	0.9
257.24799	2.0
259.20590	63.2
260.20886	2.3
275.20193	1.6
277.21603	14.7
313.27377	100.0
314.27679	6.1
315.19901	0.9
315.23172	4.8
316.24005	0.9
333.24243	41.5
334.24506	2.3
350.84409	0.9
351.25397	3.0
406.19943	0.9
479.42480	1.8
497.43640	1.9
505.25284	1.1
571.46954	6.1
589.38885	1.3
589.48279	24.0
590.48511	3.6
614.04559	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	590.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46624	0.8
58.26368	0.8
65.03947	4.1
69.03436	4.7
71.30808	1.6
73.02911	1.0
76.43999	0.9
81.03429	5.3
85.02904	4.8
91.05488	85.6
92.05829	2.3
99.04452	1.3
101.02409	1.2
105.07042	1.0
109.02885	2.0
117.07041	0.8
121.06474	1.2
123.04440	1.0
127.03930	6.1
131.04901	1.2
131.08604	1.0
139.03842	1.1
153.01834	8.6
154.02180	3.3
155.02295	2.4
159.04420	1.6
175.03900	1.5
180.44743	0.7
182.15216	1.1
187.03917	3.8
188.31555	0.8
203.03314	1.5
205.04974	1.7
213.01781	3.4
215.03438	4.2
231.02895	14.3
232.03172	1.1
233.04474	1.9
241.01321	2.7
243.02974	1.3
247.02425	1.7
257.00854	1.9
259.02414	25.3
260.02808	1.1
261.04016	2.9
275.01862	2.9
276.02563	1.5
277.03445	100.0
278.03812	4.1
285.00415	1.0
286.06616	1.0
289.00293	1.6
289.03445	21.2
290.03867	1.2
291.06323	1.2
303.01376	22.3
319.05954	1.6
321.02432	3.1
336.63034	0.9
347.05603	1.7
367.08127	3.2
375.04922	2.2
375.31628	0.9
377.57730	0.9
393.06076	13.7
406.13727	0.9
447.05374	1.0
465.06595	7.4
529.13617	1.6
546.22540	1.0
555.11627	1.0
573.11841	1.1
591.23944	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	590.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.05508	13.3
57.03424	13.6
57.07078	33.1
59.75954	3.2
67.05504	22.5
68.05824	3.7
69.07076	9.1
71.08626	19.2
74.05172	3.1
79.05485	13.4
81.03412	53.8
81.07057	24.8
83.04954	4.4
83.08618	17.0
85.10183	10.0
91.05457	16.3
93.07040	12.0
95.04950	13.3
95.08607	26.6
97.10148	4.9
99.08108	3.5
105.07037	10.3
107.08599	4.7
109.06494	5.0
109.10165	8.1
111.08094	4.1
119.08572	9.3
121.10155	9.9
129.07021	7.8
131.08546	5.0
133.10089	6.7
135.11703	6.4
147.11630	7.5
157.10159	4.9
160.91153	3.2
175.11342	4.7
177.05347	3.8
179.14241	8.4
193.12242	14.9
203.05093	3.8
267.15897	100.0
268.16452	3.8
277.21683	4.4
278.21866	4.1
313.27347	90.3
314.27719	11.3
394.58292	3.5
401.59409	4.0
485.96045	3.5
505.38831	74.1
506.39398	6.6
590.48474	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	590.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76463	3.1
52.88758	2.8
53.03941	3.4
55.05505	9.9
57.03440	16.2
57.07082	31.6
58.81014	3.0
67.05495	14.2
69.07059	6.8
69.07579	5.4
69.07979	18.7
71.08633	22.9
79.05502	8.9
81.03421	52.1
81.07077	17.3
83.08613	21.0
85.10188	16.8
91.05473	11.8
93.07050	7.5
95.04963	15.8
95.08614	18.6
99.08076	3.7
105.07043	7.4
107.04969	6.6
107.08575	3.3
107.42417	3.3
109.10154	7.4
119.08601	7.2
129.07016	4.3
131.08516	4.3
133.06473	3.6
147.11665	4.3
157.10149	5.9
175.11156	8.4
177.31604	3.6
193.12224	18.7
194.46678	3.4
267.15915	100.0
268.16309	5.3
300.31049	3.2
313.27371	87.4
314.27780	6.7
333.95657	3.1
470.61411	3.5
505.38867	70.6
506.38898	10.6
507.57217	3.4
522.88702	3.5
605.79865	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	591.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83735	1.0
52.67595	0.9
57.05238	1.0
60.41002	1.1
70.53635	1.8
80.29256	1.0
91.05496	2.2
105.07018	1.6
115.05476	2.4
117.05795	1.4
118.06545	22.2
119.06889	1.2
120.43747	1.1
132.08081	5.9
142.06534	2.3
143.07291	3.7
144.08067	9.3
146.06017	63.4
147.06374	4.5
159.09184	5.0
160.07562	1.5
170.06020	5.7
178.04967	2.0
188.07068	100.0
189.07394	7.1
205.09724	31.5
205.11623	2.0
206.10057	2.3
225.05818	1.4
371.08582	1.0
446.69342	1.2
498.48969	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	591.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09824	0.3
66.00844	0.5
70.19864	1.0
72.90140	0.3
80.21085	0.3
81.03163	0.4
81.64954	0.3
82.03938	0.3
83.01087	1.9
93.08253	0.3
95.01083	4.6
95.04795	0.3
95.59835	0.3
96.01873	1.9
108.30916	0.3
112.01375	1.4
113.02134	4.3
126.02907	0.6
139.03854	0.5
141.05226	0.5
156.03984	0.5
157.04771	1.2
167.03215	1.2
185.02515	0.4
185.04210	10.4
189.05240	0.8
201.03682	10.8
201.05235	1.1
202.06178	0.4
204.07648	1.2
217.04828	0.3
219.06300	2.5
231.06296	1.8
231.19295	0.3
232.07179	0.7
234.08609	3.0
247.05638	0.4
249.07321	1.8
249.44643	0.3
289.06921	0.6
305.06567	0.5
319.07901	0.5
356.57214	0.3
363.10406	0.7
379.09866	3.6
380.10611	0.3
386.33206	0.3
393.11642	1.3
409.11224	1.1
411.14197	3.0
429.15298	0.4
435.13040	0.4
531.15411	0.4
549.17096	0.6
561.19055	0.5
591.20447	100.0
592.20831	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	591.3167
Annotation	D-Urobilinogen
Peak:m/z	Relative Intensity
53.03952	2.9
55.01869	1.8
55.05512	5.9
57.07076	1.4
65.03941	1.9
65.13844	1.5
66.66760	1.2
67.05514	16.8
68.99794	13.4
69.03438	4.4
69.07059	7.2
69.11070	1.4
70.59100	1.2
71.30089	2.6
71.62581	1.2
79.05505	14.7
81.03423	100.0
81.07061	17.5
82.35560	1.6
83.04996	4.0
83.08620	7.0
85.02927	1.6
86.01849	1.2
91.05488	11.9
93.07045	15.1
95.04973	22.0
95.08611	14.4
97.02900	3.1
97.06560	7.0
97.10166	2.6
101.07587	1.4
105.07051	8.4
107.04976	3.5
107.08607	10.0
109.06532	3.8
109.10180	6.5
111.00805	22.1
111.04442	3.4
111.08101	6.2
113.05969	1.6
116.49128	1.3
117.07056	2.3
119.08590	6.0
121.02876	8.7
121.06511	2.9
121.10160	13.5
123.04428	5.0
123.08090	2.6
125.09622	2.7
127.03915	13.8
131.08583	7.1
133.06462	2.2
133.10162	5.8
135.08076	4.7
135.11681	5.4
137.05980	11.1
137.09622	1.9
139.03922	23.5
143.08507	2.4
145.10167	5.8
147.04388	2.0
147.11737	5.2
149.06026	2.3
149.09593	2.3
149.13318	1.4
151.11223	3.3
153.01848	2.0
155.03429	4.8
157.04976	2.5
157.10165	1.8
159.08153	2.0
159.11772	2.7
163.03908	10.8
163.07626	3.9
165.05508	3.3
169.10289	1.6
171.11748	2.7
181.05028	2.9
181.08571	3.3
184.07310	2.2
185.13400	1.4
189.05621	2.1
195.13693	1.5
205.08638	4.0
207.06561	5.0
213.16422	2.4
221.19070	2.7
223.09724	3.5
223.13293	3.4
237.15125	1.7
249.14815	2.2
249.18478	5.4
291.19873	1.5
315.19540	8.2
328.96741	1.4
333.20624	42.9
334.21091	2.5
343.22903	2.7
349.23712	5.4
375.25421	7.9
385.23672	5.7
401.27316	3.0
426.65833	1.4
429.26196	1.8
435.24826	2.2
453.26212	1.4
493.28748	2.4
519.27917	6.9
527.17609	1.5
532.05939	1.8
537.28503	32.2
538.28729	3.5
541.54480	1.6
555.29590	83.6
556.29834	10.8
573.30219	14.9
591.32117	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	591.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
53.03952	11.7
55.01870	5.2
55.05270	2.6
55.05513	29.0
57.03432	8.6
57.07072	1.8
58.50698	1.5
59.05000	2.8
65.03947	4.9
65.34759	1.6
67.05506	62.1
69.03428	4.1
69.07072	20.9
71.04998	6.9
71.08616	1.9
71.28200	2.2
77.03958	1.5
79.05497	78.7
80.05839	2.1
81.03425	11.8
81.07059	100.0
82.07388	3.6
83.04987	14.5
83.08623	19.3
85.06538	3.8
91.05484	64.3
93.07045	63.5
95.04979	21.1
95.08086	1.2
95.08615	36.4
97.06531	10.9
97.10165	3.7
99.08073	2.9
105.04541	1.8
105.07034	47.7
106.07346	2.1
107.04977	11.2
107.08603	23.3
109.06527	29.3
109.10172	9.2
111.04483	1.7
111.08103	5.2
115.05476	2.1
117.07024	14.2
119.07809	1.4
119.08581	35.5
121.06492	7.5
121.10173	16.9
123.08060	9.7
123.11740	4.7
125.09633	3.2
128.06256	2.8
129.07019	14.7
131.08574	14.1
133.06473	2.2
133.10139	18.2
135.08089	3.3
135.11713	6.7
137.09616	3.0
143.08575	8.0
144.42230	1.8
145.10129	18.6
147.08060	3.5
147.11700	33.6
149.09663	6.9
149.13277	5.8
151.11237	3.2
151.71024	1.5
157.10158	4.3
159.11713	6.8
161.09650	5.5
161.13298	7.7
163.11208	8.0
165.12794	6.1
167.30727	1.9
169.10049	1.8
171.11707	15.8
173.13284	4.2
175.11237	2.4
177.12744	2.3
179.14276	2.9
185.13193	1.9
187.11201	2.4
187.14905	2.3
189.12700	7.3
193.12311	3.8
207.13751	13.9
225.14807	2.4
227.12762	2.3
229.19514	3.4
239.18002	2.3
247.20599	4.1
257.19101	2.7
267.16040	3.3
273.18527	2.1
275.20078	50.7
276.20343	1.9
281.17480	43.9
291.19504	3.3
293.21109	10.8
320.60379	1.7
349.23752	15.2
351.96567	1.7
367.24838	12.7
449.02121	1.7
541.34491	1.6
555.36768	23.9
556.37250	2.0
559.35992	1.6
573.37891	19.3
591.31116	2.7
591.39587	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	591.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03946	10.3
55.01875	9.1
55.05516	58.0
57.03447	12.5
57.07080	2.1
64.00403	1.3
65.03955	6.7
67.05510	81.2
69.03445	5.4
69.07072	24.9
71.05000	13.4
79.05499	100.0
80.05852	1.5
81.03424	21.8
81.07063	72.0
82.07409	1.7
83.04984	24.5
83.08623	35.0
85.02908	8.5
85.06540	5.4
91.04909	2.8
91.05038	1.7
91.05488	81.6
93.07050	83.7
95.04975	90.0
95.08609	42.8
97.02895	2.7
97.06544	11.4
97.10177	16.3
98.22594	2.7
99.04469	5.7
100.74903	1.6
105.04568	2.5
105.07036	62.4
106.07356	2.5
107.04958	17.4
107.08603	45.5
108.08982	1.4
109.06528	14.2
109.10159	15.3
111.04465	12.8
111.08073	9.8
111.62125	1.6
115.05495	2.9
117.07038	17.9
119.08588	43.8
120.08916	1.8
121.06516	10.9
121.10140	18.9
123.08086	11.1
123.11720	5.2
125.05988	2.0
125.09650	14.7
127.07542	1.3
128.06247	3.9
129.07008	19.8
130.07797	1.8
131.08588	19.6
133.06528	3.5
133.10133	26.7
133.11076	2.3
135.08076	7.0
135.11676	12.8
137.09639	2.6
139.11200	2.0
142.07832	2.2
143.08554	9.5
145.10139	25.5
147.08051	8.5
147.11697	38.6
148.12042	2.6
149.09628	29.6
149.13319	3.9
151.11203	2.4
153.09161	2.8
153.12819	2.3
157.10159	6.1
159.08122	1.7
159.11700	10.2
161.09669	7.0
161.13301	13.0
163.11179	28.1
165.12801	4.2
169.10161	2.6
169.38902	1.3
171.11700	24.8
173.09589	2.1
173.13324	5.0
175.11205	4.1
177.12781	5.4
179.10722	1.7
179.14249	1.9
181.12247	3.9
183.11681	2.1
185.13345	1.6
187.11165	3.6
189.11238	14.5
189.12796	9.7
191.10774	2.9
193.12369	8.3
197.13219	2.0
199.14888	1.8
205.12230	4.5
207.13838	24.4
211.13240	6.8
219.13991	1.7
223.13307	44.1
224.13710	2.5
227.12874	4.0
229.19571	4.0
229.35202	1.5
239.17967	1.9
247.20663	3.0
257.19052	9.6
267.15982	7.1
269.17731	1.5
273.18552	4.2
275.20071	73.9
276.20499	4.4
281.17477	71.7
282.17868	5.0
291.19583	6.0
293.21130	34.8
294.21567	3.3
307.22705	1.9
349.23737	14.9
367.24872	18.5
386.40216	1.6
446.18988	1.5
467.31912	1.5
541.35297	3.2
555.36938	16.9
556.36835	2.8
559.36023	2.9
573.37915	35.6
574.38239	4.4
591.39728	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	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.2
57.03429	19.4
57.07088	50.7
67.05511	69.8
68.93342	7.3
69.07072	24.1
71.08613	18.3
79.05492	46.6
81.07066	71.9
82.99092	6.9
83.08601	15.3
91.05487	17.4
93.07047	43.2
95.08617	54.5
97.65197	7.6
105.07043	12.1
107.08600	30.3
109.10143	23.4
121.10130	21.3
123.11676	15.9
131.08560	12.3
133.00468	8.1
133.10130	11.3
135.11681	18.6
145.10155	15.2
147.11717	11.5
149.13232	14.1
159.11679	15.4
163.14790	9.4
209.95949	8.6
243.21216	21.7
261.22205	51.4
313.27344	100.0
317.24448	12.2
335.25684	58.4
339.99139	9.0
573.48450	23.2
591.49567	25.6
594.98578	8.2
614.36115	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.6
57.03440	13.8
57.07088	42.9
67.05512	61.0
69.05038	21.8
69.05450	24.9
69.07066	23.3
71.08632	26.0
79.05496	42.7
81.07063	100.0
83.07264	5.3
83.08605	15.9
85.10179	20.7
91.05466	31.2
91.59982	4.8
92.55259	5.2
93.07045	52.3
95.08607	67.6
97.10168	6.1
98.22627	10.5
99.08080	6.9
105.07037	19.8
107.08609	33.7
109.10155	27.8
114.03856	5.0
117.06995	8.4
119.08585	13.7
121.10139	22.2
123.11704	11.4
131.08586	13.5
133.10172	6.0
135.11679	23.3
137.13158	5.7
142.72804	5.5
145.10139	14.8
149.13283	16.9
159.11702	11.9
161.13347	12.5
161.30359	5.3
163.14790	11.7
167.00931	5.8
173.13255	10.4
175.14847	7.1
177.16464	5.7
210.31059	5.6
212.64429	5.8
243.21094	23.7
261.22122	56.8
313.27377	97.4
317.24631	10.0
335.25836	58.3
337.51019	6.0
407.93851	6.9
464.17038	5.6
573.48639	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	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	2.7
55.05517	14.0
57.03444	9.0
57.07082	35.3
65.03948	2.3
65.72318	1.2
67.05510	47.8
68.52499	1.2
69.07074	13.9
71.04993	1.9
71.08641	23.0
73.53720	1.0
79.05498	28.8
80.50184	1.0
81.07064	54.8
82.76267	1.1
83.08625	12.0
85.10184	9.3
89.06065	1.3
91.05485	15.8
93.07052	33.1
95.08616	48.1
96.08949	2.0
97.06541	2.0
97.10185	4.9
105.07047	12.9
107.08601	19.7
107.09286	1.5
109.10168	25.4
111.11755	1.8
113.09700	1.3
117.07018	5.4
119.08579	9.5
121.10150	18.2
123.11726	12.0
126.76535	1.2
129.07005	1.3
131.08592	10.4
133.10146	8.4
135.11714	12.8
137.13266	4.7
139.11118	1.5
144.70599	1.1
145.10162	7.7
147.11731	7.1
149.13260	11.9
151.14867	1.4
159.11726	8.8
161.13278	7.3
163.14890	6.7
173.13257	7.0
175.14865	3.2
177.16458	2.7
187.14845	6.3
201.16458	1.5
220.19388	1.1
233.22606	2.5
239.23676	6.1
243.21132	13.8
257.24670	1.5
261.22162	62.1
262.22507	4.2
275.35883	1.2
275.50333	1.1
277.21643	1.3
279.23157	2.7
291.23236	1.2
299.23773	1.6
313.27380	100.0
314.27664	7.4
317.24765	12.3
330.21057	1.1
335.25845	59.4
336.26236	5.3
493.38849	2.3
499.45151	1.9
573.48828	16.9
574.48657	3.1
591.49933	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	591.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21432	0.8
54.62018	0.8
55.05511	6.1
58.06602	5.7
67.05505	12.9
69.07079	2.5
69.80843	3.4
76.36691	0.9
79.05499	3.1
81.07058	12.5
83.08618	2.8
93.07053	2.4
95.08614	11.0
98.09708	0.9
98.23389	1.1
105.07077	0.8
107.08637	2.3
109.10168	3.3
119.08598	1.5
121.10153	1.4
123.11706	1.6
197.38324	1.0
225.47253	0.9
227.61372	0.9
259.54553	0.9
278.28436	100.0
279.28769	3.8
341.03030	0.9
513.64838	0.8
587.03198	0.9
591.37311	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	592.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.4
55.05504	0.9
57.03431	1.0
58.94096	0.7
67.05489	0.9
69.03438	9.3
69.07065	1.8
71.01359	2.5
71.81579	0.7
78.72026	0.8
79.01853	2.1
81.03416	1.7
81.07064	1.0
85.02908	4.1
87.04462	1.2
87.34151	0.7
91.05493	0.9
92.14839	0.6
95.04935	0.8
97.02888	12.0
99.70477	0.8
101.55347	0.6
107.01302	1.6
109.02885	2.6
109.21021	0.6
115.03932	6.9
121.06536	1.1
125.02354	2.6
127.03976	5.2
143.03403	3.3
153.01834	100.0
153.02792	4.3
154.02165	2.4
159.04485	0.8
171.02885	8.4
177.05495	0.8
197.00769	0.9
207.02950	0.8
249.03960	2.3
285.06055	57.0
286.06335	1.4
437.67130	0.8
592.24109	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	592.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.0
55.05512	38.2
57.03446	13.1
57.07080	39.7
59.05010	2.2
66.83881	1.8
67.05507	67.0
69.03431	2.4
69.07072	15.4
69.15863	1.9
69.44788	10.1
71.04987	3.0
71.08638	24.1
75.78565	1.9
79.05488	16.7
81.03430	3.4
81.07060	32.8
83.04979	3.3
83.08619	19.9
85.02912	16.8
85.10187	13.5
87.04475	8.8
91.05499	7.1
93.07062	6.1
95.04953	2.7
95.08617	27.0
97.06506	1.9
97.10170	23.0
105.07063	2.5
107.08649	11.5
107.98885	2.0
109.10159	45.5
119.08636	1.9
121.10147	3.9
123.08120	2.5
123.11735	4.0
125.09607	21.5
143.10754	4.0
143.65248	2.1
163.11168	3.5
173.11769	15.1
177.41931	2.3
199.13297	13.2
227.12827	6.1
229.12270	4.2
229.14365	44.8
239.23788	5.7
257.24942	2.9
283.15390	3.8
294.83609	2.5
301.16412	10.3
313.27374	100.0
314.27740	6.6
315.12000	2.4
328.95776	2.3
417.20651	2.8
429.96417	2.2
431.18698	6.1
433.24103	4.3
437.36444	5.0
445.20187	6.5
447.21964	3.8
455.37299	7.6
459.21811	3.2
460.22427	7.6
461.23511	7.3
467.37286	15.6
505.22299	3.3
533.25537	20.8
539.39178	2.8
543.94672	2.1
593.27399	67.9
593.40051	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	593.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03951	3.7
55.01865	0.6
56.69973	0.4
65.03965	0.5
67.15317	0.4
67.77711	0.4
70.16092	1.5
73.17130	0.4
77.03938	0.6
79.05495	0.7
81.03426	0.7
83.45884	0.4
91.05488	11.6
93.07047	15.2
95.04961	3.6
96.03085	0.4
103.05470	13.5
104.05796	0.7
105.04504	1.4
107.04958	0.7
119.04989	0.6
120.05743	0.6
121.06508	100.0
122.06844	2.0
137.05966	0.5
142.89482	0.4
145.06476	0.7
151.07576	0.7
153.05473	0.7
161.06061	0.5
167.07045	2.2
168.68095	0.4
169.17606	0.4
170.28577	0.4
181.04958	1.0
191.07069	0.5
201.05455	2.4
205.06448	0.4
207.06590	0.6
231.06401	0.6
233.05891	0.5
234.06874	0.6
235.07640	0.5
236.06941	0.5
238.05035	1.2
252.06523	1.9
262.05240	0.6
263.02927	0.4
263.07025	0.8
264.06467	1.1
265.05066	0.6
265.08652	0.6
272.49384	0.4
277.08560	0.7
279.06464	0.6
280.05981	3.0
289.08490	0.5
290.04474	40.0
291.04541	2.1
292.07214	0.6
293.04611	0.9
293.08078	1.3
303.06570	0.5
305.07819	0.4
307.06241	0.5
307.09668	0.7
308.05515	7.3
312.05188	0.7
318.03973	15.3
319.04401	1.0
320.05780	0.5
321.04019	1.2
325.10638	0.7
335.09354	3.4
336.05017	52.5
337.05310	2.6
339.05032	0.7
350.06833	0.9
350.11310	0.6
353.10187	3.4
354.11017	0.6
355.11761	0.5
365.10199	3.0
366.10934	0.6
367.11908	1.4
397.12814	0.5
409.13110	0.6
423.23645	1.4
427.13669	0.8
455.12418	6.1
456.10770	12.0
457.11197	1.2
473.13470	1.0
564.22577	1.8
593.19135	62.0
594.19379	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	593.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49581	0.4
61.59812	0.4
67.55807	0.4
68.99776	1.0
69.00193	2.3
73.30817	0.3
84.04523	0.4
93.07032	0.3
94.95922	0.3
100.11276	0.8
100.13171	0.4
103.19630	0.4
111.00568	2.9
112.07652	0.4
123.64040	0.3
127.34447	0.3
168.13931	0.6
169.04745	2.7
178.02344	1.7
185.91075	0.4
201.01248	0.4
267.08884	0.4
293.13660	3.2
335.14874	0.9
375.18039	0.8
377.15390	0.4
393.12067	0.4
397.31958	0.4
421.18250	2.1
437.17523	2.6
531.21893	2.8
533.19037	0.6
561.19257	0.6
593.22009	100.0
594.22357	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	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.27219	0.6
54.62663	0.6
76.81564	0.5
80.12916	0.5
93.00486	0.6
98.22578	1.4
107.64067	0.5
220.41716	0.6
221.28876	0.5
229.31047	0.6
388.16602	0.9
389.17630	1.4
401.17642	1.3
402.18744	1.5
403.19409	3.7
404.20035	1.2
405.20825	3.1
416.15768	1.0
417.16205	1.0
417.21393	5.1
418.21957	1.4
419.22379	5.6
420.23315	0.7
430.17474	0.8
431.18326	10.8
432.18512	3.4
433.24338	8.5
434.24576	2.1
444.19461	0.9
445.19962	11.3
446.20764	6.9
447.21594	8.4
448.22601	0.7
449.23825	1.0
459.21536	5.0
460.22601	17.3
461.23206	14.2
462.24020	0.7
463.21368	0.8
473.23526	2.2
476.25897	1.7
477.22528	1.1
477.26083	0.6
487.24954	1.8
488.26163	0.8
491.24747	1.1
492.25198	2.3
505.21960	8.7
506.22751	1.6
519.23810	1.6
533.25494	37.4
534.25806	5.0
564.23865	0.8
565.28180	1.3
593.27576	100.0
594.27942	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	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50245	0.4
52.24465	0.5
70.77412	0.9
90.97132	0.4
91.34782	0.4
140.51015	0.6
147.77660	0.4
158.27374	0.4
161.00224	0.5
193.97089	0.4
285.56277	0.5
388.16428	0.6
389.17609	1.1
401.17792	0.7
402.18521	1.4
403.19302	3.0
404.20023	1.4
405.20944	1.3
416.20395	0.7
417.16586	1.3
417.21716	3.0
418.21753	2.4
419.22351	3.1
430.17633	1.1
431.18250	8.0
432.18893	2.4
433.24216	7.7
434.24652	1.8
445.19839	8.5
446.20767	5.4
447.21631	4.8
449.23630	0.7
459.21518	2.7
460.22610	14.0
461.23260	13.8
461.29019	0.8
462.23706	1.9
473.23679	2.6
474.24036	1.1
476.26016	1.2
477.26813	0.7
487.25140	1.1
489.26990	0.6
491.24567	0.8
492.25406	0.7
493.26031	0.7
505.21899	5.6
518.23138	0.8
533.25513	42.6
534.25775	5.5
565.28125	0.9
575.26263	1.0
593.27594	100.0
594.27863	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	593.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31591	2.2
53.03957	3.1
55.00571	2.3
55.05511	16.5
57.03449	4.6
58.06605	8.2
67.05507	52.4
69.07070	13.5
69.35107	11.8
71.04990	15.0
79.05501	22.7
81.07059	58.9
81.07529	3.8
83.04988	5.2
83.08625	11.3
85.06561	2.8
91.05489	19.4
93.07035	31.0
95.04947	5.1
95.08613	21.0
96.08967	2.2
97.06551	5.4
97.10173	2.9
98.98486	3.3
105.07045	9.2
105.95522	2.9
106.12531	2.3
107.07944	2.4
107.08614	9.6
109.10171	6.3
111.08089	4.2
117.07037	4.5
119.08591	3.5
121.10138	6.3
123.11726	5.1
131.08582	3.2
133.10121	8.8
135.08041	2.7
135.11658	3.1
149.13292	8.6
159.11702	4.6
180.76697	2.6
195.13783	6.7
199.82204	2.6
252.26865	2.9
269.17627	3.4
278.28436	100.0
279.28784	38.5
280.29108	3.8
349.14478	3.3
425.25674	2.4
451.30652	17.7
463.30466	25.8
464.30856	3.1
495.33423	30.3
593.36499	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	593.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03945	6.9
55.01874	14.8
55.05513	38.9
55.52995	0.8
57.03439	14.7
57.07087	0.9
59.04996	2.4
65.03942	3.5
67.05506	52.8
68.05827	1.5
69.03437	7.1
69.04779	0.9
69.07067	17.1
69.73096	0.9
71.05006	6.8
72.31824	0.8
77.03939	1.7
79.05495	57.4
80.05832	1.2
81.03423	59.3
81.07058	100.0
82.07378	1.6
83.04986	31.5
83.08621	33.8
85.02514	0.6
85.02905	26.0
85.06548	3.9
91.05483	51.7
92.05817	0.9
93.07045	44.9
94.07382	1.8
95.04971	39.3
95.08613	25.0
96.05279	1.1
97.02900	2.9
97.06534	12.2
97.10175	28.4
99.04453	5.0
99.08101	3.6
101.09673	0.9
103.05446	1.1
103.64516	0.8
105.04537	2.0
105.07034	39.0
107.04959	12.4
107.08598	26.5
109.06516	12.9
109.10154	14.8
111.04453	24.1
111.08082	17.8
112.08398	0.9
113.06013	2.7
115.05455	3.8
117.07014	12.4
119.04982	1.2
119.08580	37.9
120.08924	1.4
121.06509	9.1
121.10140	20.3
122.10474	1.0
123.04504	1.6
123.08071	36.1
123.11719	2.6
125.06027	3.1
125.09635	23.0
126.10004	0.9
128.06238	2.8
129.07010	12.3
130.07857	1.2
131.08569	22.4
133.06494	3.8
133.10130	13.3
135.08066	6.9
135.11691	13.4
137.09608	6.8
139.07523	1.0
139.11165	1.0
141.06981	1.7
142.07787	3.5
143.08551	4.5
145.06476	1.8
145.10121	16.9
147.08040	10.6
147.11678	16.7
148.11934	0.9
149.09616	13.1
149.13266	1.6
151.11218	1.8
153.09094	5.0
153.12746	9.8
155.08607	2.9
157.10123	14.2
159.08052	1.2
159.11728	3.2
161.09636	5.7
161.13309	1.2
163.11182	23.5
164.11577	1.1
165.09129	7.4
165.12781	3.3
167.08533	1.1
171.10199	2.8
171.11748	3.1
173.09659	2.7
173.11784	1.6
173.13181	1.4
175.11183	13.7
177.12801	1.5
179.10669	1.2
181.12245	13.3
183.11685	1.1
184.07378	1.2
185.09659	1.2
185.13313	1.9
187.11215	2.0
189.11229	28.4
189.12575	1.2
191.10701	10.7
193.12241	45.7
194.12521	1.0
195.11670	1.2
199.11255	0.8
205.12296	1.7
209.11769	3.4
211.13301	58.2
212.13629	1.6
213.12561	1.2
223.13251	8.2
227.12779	21.5
227.17995	2.3
233.15414	1.0
233.80634	0.8
237.14682	1.0
241.19522	0.9
245.19110	2.1
249.14876	1.8
255.17487	3.9
260.43393	1.0
263.20029	2.1
267.15869	7.5
273.18484	28.2
274.18802	1.4
275.20044	2.9
283.15430	3.8
285.16980	26.2
291.19540	67.6
292.19928	4.0
293.03641	0.8
309.20554	4.7
313.21701	1.6
315.19568	2.0
329.20956	0.9
331.22736	2.3
333.20563	0.9
333.24289	1.8
338.24057	0.9
347.22232	3.9
365.23221	18.9
366.23792	1.1
383.24255	1.3
465.29843	2.0
483.31308	2.3
501.31955	1.1
539.33527	1.7
557.34955	9.3
575.35803	16.7
575.44446	1.8
576.35852	2.5
593.36932	17.9
594.37097	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	593.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39729	1.4
53.03949	6.5
55.01875	12.4
55.05516	20.1
56.05860	1.4
57.03441	7.5
59.04989	2.0
65.03951	3.6
67.05510	40.1
69.03438	4.2
69.07079	16.5
71.05009	4.0
71.16702	1.4
71.27988	2.3
71.76292	1.5
79.05499	52.6
80.05832	2.0
81.03427	24.6
81.07064	100.0
82.07392	1.4
83.04981	14.8
83.08617	13.8
85.02906	9.8
85.06545	3.0
85.32355	1.4
91.05491	39.6
93.07051	32.4
95.04987	26.7
95.08620	19.4
97.02895	5.2
97.06548	5.6
97.10203	8.3
98.40572	1.4
99.08140	1.5
101.79646	1.4
103.05477	1.9
105.04514	1.9
105.07043	30.3
105.07726	1.1
107.04943	9.7
107.08617	18.2
108.08961	1.9
109.02860	1.5
109.06532	40.9
109.10158	12.4
111.04448	6.7
111.08089	6.7
115.03956	2.1
116.06274	1.6
117.07022	14.1
119.08595	28.3
120.08963	1.5
121.06483	10.6
121.10153	20.3
123.08085	7.8
123.11728	2.5
125.09666	7.8
128.06250	2.9
129.07008	11.0
131.08588	18.0
133.06483	3.2
133.10144	12.4
135.08060	6.9
135.11691	8.1
137.09616	5.4
141.07065	1.9
143.08591	5.8
145.06508	3.0
145.10127	16.6
147.08049	11.2
147.11687	10.1
149.09630	13.3
149.13278	2.6
151.11212	2.3
153.12730	1.9
155.08553	1.9
157.10161	10.0
159.08057	5.4
159.11749	6.5
161.09636	9.5
161.13391	2.2
163.11188	10.7
165.05501	3.2
165.09122	3.3
165.12839	3.1
167.08607	2.0
167.10715	9.5
169.10126	4.9
171.11769	4.5
173.09659	4.2
173.13341	1.7
175.11232	5.4
181.10071	3.1
181.12296	3.5
183.11679	2.1
185.09584	1.5
185.13268	3.1
187.14935	1.4
189.11240	6.1
189.12788	2.5
191.10612	2.7
193.10439	3.0
193.12228	16.5
195.11749	2.0
197.13231	2.0
199.14874	2.6
207.11694	1.9
209.11670	3.5
209.13414	2.6
211.13255	15.7
223.13184	3.6
227.05498	5.0
227.12811	6.0
233.15381	3.1
239.19687	1.6
245.19002	1.5
249.14824	3.4
265.14392	2.1
267.15796	12.4
273.18549	21.9
274.18991	2.2
275.20187	9.6
283.15393	4.0
285.17010	15.4
291.19565	52.8
292.20056	2.6
293.21210	2.5
347.22104	6.3
349.23553	4.0
365.23346	5.2
367.24420	2.0
375.77344	1.5
385.55728	1.7
532.69800	2.0
557.34753	6.8
575.35675	6.2
593.30164	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	594.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52954	1.3
50.96285	1.6
52.95473	1.4
53.57657	1.4
69.03430	2.5
69.13967	2.2
69.14370	9.9
73.15895	1.2
79.01848	5.5
81.03428	2.2
98.22623	3.0
109.02865	1.6
123.04453	2.4
125.02376	2.6
127.03967	6.5
135.04410	1.4
139.03880	3.6
143.03357	4.5
153.01831	100.0
153.02853	3.8
154.02162	3.4
171.02943	1.5
172.82173	1.5
196.01527	1.3
228.03699	1.4
288.05923	1.3
297.06067	4.2
347.82425	1.3
422.34720	1.5
449.07138	2.1
467.08096	9.0
468.77322	1.7
540.24817	1.4
594.20117	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	594.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
57.77921	0.1
59.04996	0.2
69.98463	0.3
69.98849	0.3
71.05000	0.2
71.52469	0.1
77.03918	0.4
86.81228	0.1
89.26452	0.1
91.05481	3.2
91.06019	0.3
91.35593	0.1
93.07046	5.1
95.04993	0.8
102.76143	0.1
103.05469	4.2
105.04523	0.4
113.06026	0.6
121.06507	100.0
122.06833	2.7
131.07051	0.3
131.38925	0.2
136.06181	0.6
138.09140	30.9
139.09489	1.0
149.08069	0.7
319.36130	0.2
326.60416	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	594.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.1
55.05513	20.1
57.03441	9.9
60.15175	2.0
67.05502	19.9
69.03430	2.6
69.07073	7.3
69.26320	2.0
70.27421	3.9
70.96513	2.4
71.04989	3.1
79.05499	21.6
81.03423	59.4
81.07065	23.5
83.04965	5.3
83.08624	16.8
91.05492	18.9
93.07060	17.6
95.04975	19.9
95.08608	12.7
97.06561	6.1
97.10161	19.6
102.43713	2.3
102.80793	2.2
105.07043	16.5
107.04965	17.0
107.08586	11.9
109.06525	10.2
109.10165	8.8
111.04491	3.7
111.08066	4.6
117.07046	6.8
119.04942	2.7
119.08601	10.1
120.26190	2.0
121.06522	9.4
121.10154	7.4
123.08073	3.4
125.09633	12.9
129.07011	9.5
131.04991	3.3
131.08617	10.6
133.06474	4.3
133.10144	6.3
135.08069	6.6
145.06500	8.7
145.10153	3.6
147.08049	5.6
147.11697	6.3
149.09656	7.3
153.09164	4.3
157.10153	6.7
159.70224	2.4
161.09598	3.9
163.11176	3.5
171.11649	2.5
175.11192	5.6
189.11252	6.2
193.12218	14.1
205.12285	2.8
213.12784	2.5
215.14294	2.8
219.13680	2.9
233.15427	6.0
267.15915	34.8
273.14682	5.6
293.17645	3.2
339.23093	3.3
349.21689	5.1
356.39337	2.2
367.22729	17.7
385.23633	27.2
403.24695	9.8
441.26349	8.8
459.27411	100.0
460.27713	8.4
477.28528	66.3
478.28534	7.2
491.29922	8.5
509.31119	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01871	7.0
55.05510	22.0
57.03435	13.3
61.81243	1.7
67.05507	47.9
68.05844	3.1
69.03434	4.7
69.07070	18.1
70.64283	1.8
71.05000	3.1
79.05494	36.5
80.05832	2.3
81.03417	66.9
81.07057	74.0
81.07534	4.5
81.48602	1.7
82.07427	2.6
83.04980	10.1
83.08623	21.7
85.02921	2.6
85.06535	3.6
85.75839	2.0
91.05485	38.9
92.05818	2.6
93.07042	29.8
94.07399	2.0
95.04964	27.8
95.08598	21.6
97.02917	2.6
97.06538	8.4
97.10177	7.4
100.24271	2.0
103.05489	2.3
104.32217	1.8
105.07027	32.8
107.04946	12.8
107.08594	20.9
108.08899	3.1
109.06517	19.6
109.10173	9.7
111.08098	8.3
117.06968	9.0
119.08582	26.0
120.08889	2.7
121.06525	5.7
121.10136	11.6
123.08067	7.3
123.11707	5.5
129.07014	9.6
131.08578	17.8
133.06517	3.7
133.10127	14.9
135.08098	5.7
135.11714	4.5
137.09616	3.8
142.07753	3.6
143.08592	3.9
145.10101	10.5
147.08044	3.3
147.11658	20.0
149.09657	10.4
149.13271	4.6
151.11165	2.8
157.10121	8.8
159.11687	8.7
163.11200	7.8
165.12698	5.0
171.11734	3.0
173.09700	1.9
173.13275	4.5
175.11189	7.5
189.11336	2.8
193.12277	20.0
194.12567	2.4
211.13243	4.5
226.34776	2.5
227.12862	2.4
236.75383	1.8
247.20639	2.6
257.19049	3.1
267.15909	100.0
268.16370	4.5
275.20050	39.2
276.20428	4.4
281.81656	2.0
291.19565	2.2
293.21225	11.8
349.23917	12.3
367.24802	25.0
409.84598	2.0
449.29990	2.6
458.21948	2.1
467.31671	4.2
541.35260	20.1
559.36255	38.1
560.36237	6.1
594.32581	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	595.1084
Annotation	Catechin 3,7,-di-O-galate
Peak:m/z	Relative Intensity
50.01588	0.5
51.02384	1.2
53.03931	0.7
55.01869	0.7
55.05497	0.3
63.61145	0.3
65.03947	0.6
67.05502	1.6
68.99792	1.2
69.03442	0.5
69.36801	1.1
69.37212	0.4
77.03928	1.2
79.01870	2.2
81.07042	0.4
81.14892	0.3
83.05001	0.4
85.02876	0.5
91.05482	0.9
93.07037	0.6
95.04994	1.8
95.08620	0.5
97.02866	0.6
105.03373	1.7
105.07045	0.5
107.01334	0.8
107.05012	0.4
111.00776	0.3
111.04462	2.0
111.17894	0.3
117.03401	0.3
117.07050	0.3
119.04945	0.4
119.08603	0.4
121.06522	0.9
121.10135	0.6
123.04433	100.0
124.04796	2.4
125.02376	1.0
125.06045	0.3
127.03916	0.5
133.10185	0.5
135.04399	0.9
137.05942	0.4
139.03906	48.8
140.04247	1.3
143.03394	3.2
145.04984	0.3
145.06516	0.3
147.04424	2.3
151.03911	9.4
151.05099	0.6
152.04214	0.4
153.01836	47.1
153.02905	2.7
154.02139	0.9
160.07938	0.3
161.06030	0.4
163.03935	0.9
163.07492	0.4
165.05475	0.7
167.07072	0.4
181.04991	0.7
189.05502	0.8
217.15941	0.4
235.16852	0.7
255.06490	0.5
273.07584	6.0
275.05334	0.4
287.05576	0.3
291.04965	0.6
291.08615	0.5
305.02982	1.3
312.08591	0.4
317.06772	0.3
344.81503	0.3
432.14676	0.4
458.12018	0.4
471.68051	0.3
595.21655	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	595.1445
Annotation	Catechin-(4alpha->8)-gallocatechin
Peak:m/z	Relative Intensity
51.27396	0.8
55.01880	2.3
57.03945	0.8
66.54123	0.7
67.01868	1.0
68.99794	6.3
69.67345	4.4
71.71557	0.7
81.03428	2.4
93.03402	1.1
95.04964	1.1
97.02918	0.9
98.22617	0.9
99.04445	1.1
103.05489	0.9
107.04964	2.9
109.02882	2.7
110.79082	0.8
111.00832	3.3
111.04448	3.1
114.34361	0.9
117.03356	0.9
117.07039	0.7
121.02880	1.8
122.92507	0.8
123.04434	20.3
127.03924	100.0
128.04243	1.8
131.04959	2.4
135.04422	29.8
136.04779	1.0
137.02290	1.2
139.03909	79.9
140.04272	2.5
141.07054	1.2
143.04912	1.0
147.04422	3.3
149.02373	3.4
149.06067	1.8
151.03911	10.8
155.04967	1.2
159.04391	4.0
161.06058	2.3
163.03917	39.0
165.05487	2.0
167.03439	6.4
169.05022	1.2
169.06477	1.6
171.04501	1.2
173.06047	3.4
175.03943	3.4
177.05453	4.4
179.03415	5.2
180.34875	0.7
181.04973	3.5
181.06400	1.3
183.04404	1.2
185.06052	1.8
187.03879	5.9
189.05496	2.2
191.03412	9.9
193.05003	3.4
197.06047	4.6
201.05493	7.4
203.03365	8.7
203.06985	1.7
205.05019	3.0
213.05475	2.2
215.03477	1.1
215.07040	2.9
217.05014	1.6
225.05518	1.1
227.47354	0.8
229.04967	8.6
230.05496	0.8
231.06612	2.1
233.04469	6.5
241.04875	1.3
243.06441	4.4
245.04475	6.1
245.47498	0.9
247.06046	36.8
248.06502	2.4
251.05519	1.0
255.06567	2.3
257.04492	8.1
259.06058	8.8
269.04459	2.0
271.06021	13.6
275.05530	12.9
283.06116	8.6
287.05536	18.1
288.05835	1.3
289.07092	9.6
291.08783	1.4
299.05411	3.8
301.07050	15.2
307.08163	6.5
317.06555	1.1
319.08206	1.3
407.07977	1.5
409.09125	13.0
425.08743	5.4
427.10220	5.7
443.09753	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	595.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30611	0.6
55.01877	2.0
56.05739	0.6
56.43564	0.6
60.03786	0.7
61.14780	0.6
65.03936	1.3
67.01884	0.8
67.05512	0.8
68.99789	6.8
70.33990	1.2
70.34292	0.9
81.03436	3.0
91.05473	1.1
95.04962	1.3
96.93897	0.8
99.04446	1.9
109.02857	3.5
111.00815	5.5
111.04472	1.0
112.90743	0.6
119.04965	3.0
121.02856	2.3
123.04430	30.6
124.04735	1.0
127.03920	100.0
128.04263	1.8
133.02847	2.0
135.04460	0.9
139.03906	65.4
140.04231	1.7
145.06599	0.7
147.04416	12.6
149.02391	2.0
151.02705	1.4
151.03908	23.1
153.01857	1.6
155.03470	0.8
157.06438	0.8
159.04384	1.3
161.02368	0.7
161.06009	2.5
163.03914	2.9
165.05513	6.0
165.06773	0.9
167.03427	3.9
173.06029	0.8
175.03909	15.5
177.05508	5.7
179.03400	33.7
180.03648	0.7
181.05009	0.9
185.05988	1.3
187.03865	0.9
189.05458	3.7
191.03389	10.1
193.04976	2.9
199.03932	1.0
201.05519	4.4
203.03387	20.9
204.03836	1.0
205.04967	1.5
207.06525	1.0
213.05507	6.2
215.03352	1.4
217.04958	3.7
221.04477	0.7
229.04976	3.5
231.06581	2.5
233.04419	5.4
241.04987	2.9
245.04475	8.5
251.05464	0.9
257.04449	11.0
259.05981	2.4
263.05518	7.3
269.04489	3.8
271.06064	1.5
273.07410	0.9
275.05515	22.3
276.05823	0.8
287.05499	54.4
288.05878	2.9
291.08667	14.1
299.05502	15.0
303.08655	1.1
305.06500	7.0
316.13260	0.8
317.06558	11.7
409.09048	5.3
425.08679	13.9
427.09967	3.2
443.09656	3.5
451.10388	1.2
452.65265	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	595.1656
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03962	2.4
55.05499	2.8
57.03440	18.7
65.75818	2.0
69.03413	16.1
70.71410	3.7
71.04601	5.0
71.04996	91.2
73.02935	12.1
75.04475	4.2
83.04984	10.6
85.02909	100.0
86.03236	2.9
87.04449	3.5
95.04993	2.4
97.16348	2.1
99.04455	5.1
111.04443	5.5
115.35024	2.1
117.05495	9.4
127.03943	4.3
129.05479	23.0
137.02376	17.0
147.06564	3.0
153.01866	4.7
163.03931	2.9
163.06050	8.2
189.02116	2.1
210.48758	2.1
223.46355	2.1
223.89560	2.1
229.05064	3.5
265.37140	2.7
287.05545	3.2
299.05475	5.3
302.04150	4.8
303.05008	90.5
304.05276	6.0
315.04990	27.2
316.05737	8.5
327.04974	10.0
329.06180	2.4
341.06601	8.3
345.06055	61.2
346.06348	3.5
353.06744	2.8
367.08081	6.5
369.06067	25.4
370.06433	3.9
395.07648	16.0
413.08710	39.2
414.08743	4.1
431.09698	28.1
449.10904	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2077
Annotation	Cannabisin A
Peak:m/z	Relative Intensity
53.03953	5.4
59.98008	1.2
69.10736	9.1
70.40248	1.2
77.03964	1.2
78.24881	1.3
81.07058	1.3
91.05484	11.8
93.07042	19.4
93.79945	1.3
95.04984	4.8
98.22648	2.6
103.05479	14.5
105.04563	2.2
105.07022	1.3
107.04980	1.6
119.04929	1.3
121.06512	100.0
122.06862	3.7
123.04439	2.5
127.26709	1.2
151.04092	1.3
153.01859	3.5
153.05438	1.3
167.07103	3.3
176.41165	1.4
181.04990	1.9
187.04080	1.4
205.04781	2.3
221.06078	1.5
237.05525	1.6
247.04002	1.2
265.04788	1.9
292.06174	2.2
293.04507	5.3
311.05402	1.5
317.06573	1.9
321.03915	5.9
338.06516	13.4
338.09717	1.3
339.04901	1.7
415.13879	1.6
458.12347	79.7
459.12720	7.4
510.40836	1.6
595.10785	2.2
595.20074	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	595.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05504	9.7
57.03437	8.3
59.23844	1.4
62.93813	1.3
67.05510	39.5
69.03415	2.6
69.07081	8.1
70.54659	4.0
71.04977	2.3
79.05490	18.4
81.03419	13.2
81.07062	33.4
83.08619	4.8
85.02905	2.8
91.05485	12.6
91.09838	1.7
93.07049	23.3
95.04967	2.2
95.08612	27.0
98.98476	31.1
99.04436	1.7
105.07048	7.0
107.08599	10.2
109.02882	11.3
109.10172	12.0
117.06964	1.8
119.08598	4.7
121.10165	6.3
123.11733	3.0
127.03922	2.3
131.08574	4.8
133.10147	4.6
135.11702	5.8
145.10120	4.9
147.11700	3.5
149.13278	3.6
155.01073	3.6
159.11681	1.7
161.13318	2.7
163.06026	2.4
163.14934	1.5
169.25372	1.4
173.02203	2.1
173.13275	3.1
181.92271	1.5
225.75427	1.7
261.03702	11.3
261.22153	5.1
335.07294	1.7
335.25812	100.0
336.26105	8.2
347.53433	1.4
557.48523	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	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01875	1.8
55.05322	1.3
55.05518	11.5
57.03441	9.7
57.07072	1.3
66.56656	1.4
67.05510	40.7
67.66048	1.4
69.07071	9.4
70.34487	2.3
70.34806	2.6
79.05499	25.9
81.03418	16.7
81.07055	37.3
83.08622	4.3
85.02892	3.6
85.06525	1.6
87.85395	1.6
91.05477	12.0
93.07043	20.3
95.04989	2.0
95.08043	2.9
95.08603	29.0
97.06519	2.0
97.10178	2.0
98.97854	2.7
98.98465	35.9
104.10715	1.6
105.07031	7.9
107.08598	15.8
109.02885	8.9
109.10152	13.4
111.08034	2.1
115.76147	1.8
117.07032	1.6
119.08588	6.2
121.10137	10.5
123.11684	2.8
125.09676	1.6
127.03894	2.4
131.08536	3.1
133.10141	6.5
135.11700	4.7
145.10150	2.9
147.11696	3.7
147.28740	1.7
148.06789	1.7
149.13258	3.6
159.11739	2.7
163.05972	2.2
243.21178	2.9
261.03748	9.7
261.22104	4.9
280.29993	6.3
317.24564	2.4
335.07367	2.5
335.25806	100.0
336.26141	7.0
366.65948	1.5
380.40814	1.7
403.37943	1.5
500.28888	1.7
595.35077	2.5
607.96338	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	595.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
57.07071	3.6
67.05511	4.6
68.42027	2.0
69.07082	2.7
69.44059	5.9
69.44469	7.2
71.08634	3.1
81.07041	4.5
89.56280	1.8
93.07039	3.9
94.16130	1.8
95.08607	4.7
105.07056	2.6
135.52289	2.4
154.16643	2.1
157.02899	1.9
216.25961	2.0
250.90277	2.1
283.15247	7.5
283.26682	2.2
296.31665	2.1
301.10382	2.3
339.17789	6.3
343.37204	2.0
373.03171	2.0
497.41794	3.0
595.41699	100.0
595.57428	4.0
596.41882	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	595.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
57.03419	1.1
57.07076	3.4
61.37386	0.7
67.05512	3.2
69.07069	1.0
69.18256	5.5
71.05021	1.0
71.08637	1.8
79.05495	1.2
81.07063	3.0
83.08584	0.9
85.10152	0.9
85.53292	0.8
93.07035	1.9
95.08614	1.7
98.23371	1.4
105.07022	2.3
107.08599	1.4
109.10155	1.2
121.10156	0.9
135.72220	0.9
135.94409	0.8
142.22955	0.8
147.11684	0.9
283.15140	11.6
298.30511	0.9
313.27484	1.4
326.99747	1.0
339.17813	5.7
562.06830	1.1
595.41754	100.0
596.42163	10.9
609.01801	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	596.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27437	1.2
53.03939	1.6
55.01880	1.5
57.03189	2.0
57.03442	17.9
59.04997	4.4
61.02932	1.7
67.01834	1.2
68.82683	1.3
69.03432	64.0
69.71236	2.8
69.71638	4.2
71.04998	2.3
73.02900	2.9
73.79962	1.2
74.67266	1.4
74.84288	1.2
80.39052	1.2
81.03400	5.7
85.02908	66.2
86.02095	1.3
87.04468	45.4
91.03948	2.3
95.61874	1.4
97.02895	75.1
98.22556	1.3
99.04443	3.7
105.07014	3.9
109.02881	2.7
111.04419	1.8
115.03929	94.4
123.04388	2.0
127.03892	11.2
133.04970	100.0
145.04962	23.7
163.06024	9.6
169.04958	2.2
205.81599	1.6
241.07072	4.5
255.12350	2.6
259.08142	9.1
277.09198	4.7
285.13181	2.2
295.10165	8.8
312.12527	1.3
325.11356	2.1
326.54767	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	596.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
54.84612	3.6
55.05508	15.2
57.03446	11.2
57.07060	4.6
64.05700	3.0
66.27029	3.1
67.05512	62.7
69.07076	23.8
69.33913	3.2
71.05000	5.1
71.31059	3.6
71.31410	3.7
75.78743	3.8
78.22264	3.5
79.05502	44.9
81.03436	5.0
81.07059	100.0
83.04995	8.6
83.08630	17.1
83.50281	3.8
91.05496	28.1
93.07040	52.2
93.98770	3.7
95.05001	9.0
95.08621	30.2
96.92345	3.7
97.06519	11.4
97.19497	3.8
99.95090	3.8
101.61746	3.6
105.07034	23.7
107.08599	28.3
109.06533	20.7
109.10165	10.0
111.08096	8.5
117.07014	11.6
119.08575	23.6
121.06518	4.6
121.10134	20.5
123.08052	4.2
123.11722	4.8
131.08582	16.0
133.10129	13.7
135.08128	6.0
135.11697	8.8
145.10103	9.8
147.11725	19.7
149.09615	7.6
149.13269	23.2
157.10181	7.0
159.11742	12.1
159.85844	3.7
163.11162	6.2
177.12724	9.2
195.13852	9.9
244.37737	3.9
257.18951	5.1
267.16034	4.7
269.17496	73.6
270.17776	4.6
275.20071	48.1
293.20966	10.4
330.92834	3.9
349.23776	19.3
353.43958	3.6
367.25000	23.5
543.36884	46.4
561.37842	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00336	1.0
53.03949	3.5
55.01880	5.7
55.05514	20.0
56.76345	1.0
57.03445	8.6
57.07081	1.8
65.03945	2.1
67.05511	55.6
69.07073	25.0
69.68030	2.7
69.68439	3.3
71.04992	5.0
71.08617	1.2
72.31464	1.1
79.05499	38.1
80.05823	1.3
81.03423	2.4
81.07063	100.0
82.07384	2.6
83.04995	6.1
83.08627	15.4
85.06543	4.4
91.05491	37.2
93.07051	45.6
94.07380	1.5
95.04968	11.6
95.08611	26.5
97.06537	10.4
97.10143	3.0
97.78728	1.1
98.23318	1.4
98.43421	1.0
99.08115	3.7
105.04519	1.6
105.07040	24.6
107.04949	6.3
107.08606	27.2
109.06526	16.6
109.10175	9.4
111.08092	5.1
117.07030	10.9
119.08598	18.5
121.06496	5.8
121.10158	17.7
123.08102	6.1
123.11697	7.0
125.09647	1.8
127.07603	1.4
129.07007	2.7
131.08577	17.0
133.10132	19.7
135.08075	4.3
135.11707	10.3
137.09660	2.3
143.08542	2.3
145.10182	8.1
147.08058	1.1
147.11687	13.1
149.09639	6.0
149.13243	15.2
151.11176	3.7
157.10127	3.3
159.11700	12.4
161.13200	1.8
163.11182	5.7
165.12762	3.6
169.10213	1.5
171.11658	2.6
173.13260	4.6
175.11238	1.9
177.12755	4.2
181.10159	1.2
183.11673	1.5
193.12341	1.1
195.13777	11.8
197.13441	1.4
213.14722	2.5
218.57991	1.3
229.19482	1.3
239.17918	1.2
243.60799	1.2
247.20584	2.8
248.26289	1.0
251.16443	2.1
257.19070	4.4
267.15927	3.9
269.17490	66.4
270.17801	2.9
275.20090	44.5
276.20349	2.1
293.21140	10.6
349.23813	18.1
350.24216	2.0
367.24841	24.7
368.25143	2.7
500.37503	1.1
521.12610	1.4
525.36102	2.0
543.36853	33.0
544.36951	4.0
561.37866	29.1
562.38214	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	596.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.05516	34.4
55.05739	5.3
57.03430	18.2
57.07070	8.0
57.19852	5.3
58.87823	6.1
67.05507	75.1
69.07062	26.2
71.05011	8.2
71.28435	6.0
78.88019	5.9
79.05503	44.8
81.03425	62.6
81.07058	100.0
83.04998	10.0
83.08613	25.8
83.09073	5.7
91.05478	45.2
93.07050	36.9
95.04958	21.6
95.08611	53.1
97.06555	9.6
97.10186	10.3
105.07050	33.1
107.08588	21.0
109.10171	23.1
111.08109	6.7
112.96666	5.5
117.07022	5.7
119.08602	23.9
121.06489	6.2
121.10162	15.8
123.11705	9.8
129.06969	8.7
129.71620	7.1
131.08566	16.7
132.57986	6.0
133.10133	23.8
135.11719	9.6
145.10081	12.2
147.11687	12.5
157.10094	8.0
157.47701	6.5
163.11195	7.6
165.12735	6.3
181.12273	10.2
193.12248	15.4
267.15945	56.2
335.25589	11.6
337.27344	47.8
428.10657	7.1
503.37222	36.4
529.39050	33.5
547.39868	14.2
561.40845	11.8
597.42926	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	596.452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32528	1.0
53.03945	3.4
55.05513	14.2
57.03436	5.7
57.07083	2.8
59.05022	1.4
65.03951	2.2
67.05508	64.6
69.03445	1.4
69.07075	11.2
71.04997	19.6
79.05498	31.9
81.07059	78.7
82.07401	1.9
83.04989	3.9
83.08619	6.9
85.06535	7.3
86.70818	0.9
91.05483	23.2
91.06010	1.5
93.07047	35.3
95.04963	3.9
95.08611	24.1
97.06511	4.7
97.10167	1.8
99.08105	0.9
105.04494	1.5
105.07039	14.7
105.07686	1.5
107.08598	17.9
107.09297	1.7
109.06546	1.9
109.10170	14.2
111.08080	1.5
111.68203	0.9
117.07021	5.9
119.08591	7.8
121.10150	15.0
123.11707	13.2
131.08559	9.0
133.10147	15.8
135.11726	6.6
143.08591	1.1
145.10149	6.1
146.10666	0.9
147.11710	3.8
149.13225	5.2
151.11218	4.9
155.08549	1.1
157.10139	1.7
159.11729	6.0
161.13290	3.5
171.11702	1.3
173.13293	3.1
175.14836	1.6
177.12827	2.5
183.13898	2.5
185.13245	1.5
187.13318	3.9
187.14864	1.9
195.13826	2.1
199.14728	1.1
201.14828	2.3
201.16512	1.6
227.16414	1.2
237.04059	0.9
257.17548	2.3
261.22150	3.5
269.17490	4.0
301.20114	17.2
311.29431	1.1
312.32767	1.1
317.24640	1.3
335.25815	32.5
336.26089	2.1
339.10248	0.9
430.46155	1.0
485.36185	1.4
500.63358	1.1
503.37332	100.0
504.37656	9.2
507.36502	4.6
517.39294	4.6
522.43756	1.4
529.39099	6.5
561.41541	40.1
562.41693	3.9
596.47290	8.8
596.57990	1.8
597.37665	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	597.1449
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01883	1.6
57.03432	1.8
61.02916	1.0
64.21745	0.3
68.99026	1.5
68.99429	0.9
68.99795	0.6
69.03429	1.6
71.01361	0.6
73.02915	2.0
73.43067	0.3
74.74297	0.3
80.48947	0.3
83.28069	0.3
85.02911	4.3
97.02894	2.2
98.23402	0.4
106.04183	0.5
109.02882	0.9
111.00786	1.0
113.12827	0.3
115.03948	1.1
121.02872	1.2
121.06550	0.5
123.04428	0.5
127.03912	1.2
133.04959	1.6
135.04385	0.5
137.02379	3.2
139.03893	0.4
145.04974	0.7
147.04459	0.4
149.02368	0.4
149.05934	1.0
153.01820	3.6
161.06036	0.4
163.03896	0.7
165.01839	2.2
177.05507	0.8
181.04910	0.3
181.08578	0.5
183.02930	0.7
187.03899	0.4
201.05530	1.4
209.08136	2.5
215.13908	0.3
219.06401	0.3
229.04955	5.1
241.92982	0.3
247.06015	0.5
257.04456	3.5
274.04926	0.7
285.03940	1.4
303.04999	100.0
304.05325	5.3
345.05948	0.4
417.15457	0.4
435.09045	0.8
465.10309	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	597.1453
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01881	1.8
57.03435	2.3
59.95227	0.2
61.02907	0.5
68.99826	0.3
69.03426	1.7
71.01348	0.4
71.30519	0.3
71.30994	0.4
73.02906	1.3
81.03413	0.4
85.02899	1.9
93.03407	0.3
97.02888	1.0
109.02892	0.7
111.00793	1.0
112.31799	0.2
113.92552	0.2
115.03948	0.8
121.02880	0.9
121.06474	0.3
122.14365	0.3
123.04479	0.5
127.03924	1.0
130.64555	0.3
131.04932	0.3
133.04984	1.6
135.04417	0.4
137.02353	3.3
139.03917	1.7
147.04474	0.3
149.02354	0.7
153.01836	4.6
157.92290	0.3
161.05914	0.4
163.03903	1.2
165.01851	2.6
166.02614	0.5
171.04384	0.4
171.35446	0.3
173.06003	0.5
177.05450	0.3
183.02898	1.0
183.04379	0.4
187.03792	0.3
201.05408	1.5
219.02956	0.5
229.04976	3.7
230.05360	0.3
233.08011	0.3
241.04912	0.3
247.05988	0.6
257.04437	2.8
274.04715	0.9
275.61108	0.3
285.00439	0.4
285.03925	1.2
303.04984	100.0
304.02130	0.3
304.05304	6.1
315.05060	0.6
345.06195	0.4
369.06024	0.5
417.07996	0.3
465.10330	6.9
466.10477	0.5
519.33643	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	597.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.16314	0.6
54.71856	0.8
55.01865	2.0
56.77113	0.6
57.03453	0.6
61.02934	0.8
65.03940	2.4
65.63456	0.6
67.05498	0.6
68.25962	0.6
69.03441	4.0
69.60815	2.7
75.28535	0.6
76.32536	0.7
78.04667	0.6
79.05500	4.4
80.30090	0.6
81.03404	1.8
81.07042	0.6
82.04165	0.9
85.02901	6.4
91.05479	2.0
95.04974	1.7
97.02880	2.2
98.23367	0.8
103.05447	1.5
105.04546	0.6
106.04173	0.6
107.04956	11.5
110.03678	0.8
115.05499	3.6
115.56094	0.5
116.06218	1.1
117.07013	2.9
119.04950	0.8
121.06467	0.9
123.04434	3.0
124.05195	2.4
125.05972	1.6
127.03936	3.7
128.06204	1.0
129.06982	1.5
131.04898	1.7
131.08563	1.6
133.06473	2.0
137.05972	1.1
141.07007	1.3
142.02629	1.1
144.05746	2.8
145.06488	6.4
147.04387	0.8
147.08049	1.3
149.05975	0.7
152.04672	1.1
153.05434	0.9
155.04884	1.0
155.06001	1.4
155.07085	0.7
156.05693	0.8
157.06438	3.1
159.04408	0.8
159.08049	2.5
161.05957	3.8
165.05505	0.8
167.07048	33.4
168.07310	1.3
171.06593	1.1
172.05199	16.4
173.06013	4.5
175.04002	0.7
175.07559	2.2
177.05397	1.0
181.04970	33.3
185.05948	0.9
187.07602	3.4
189.05484	2.2
190.06198	1.1
191.06976	0.8
191.10681	0.7
195.06584	0.8
200.04689	8.2
201.05464	3.8
202.06142	1.1
203.06973	0.9
205.04774	2.1
205.08571	3.3
206.05782	0.9
207.06616	0.7
207.10196	1.4
209.08105	1.2
211.06030	1.0
217.08606	1.9
218.05719	12.7
218.07616	1.1
219.06447	2.4
219.08247	1.2
219.10167	2.5
221.08025	3.8
221.09923	0.6
231.06468	1.4
233.08092	100.0
234.08504	4.9
235.07565	0.9
235.09695	2.0
245.08090	1.9
247.07448	0.8
247.09779	0.7
251.09125	2.1
263.06482	1.5
263.09183	27.3
264.07471	0.7
264.57529	0.6
265.10858	0.9
275.07205	0.7
277.08466	1.0
278.09244	0.6
279.06479	0.8
279.10120	1.3
281.10406	1.0
292.07306	1.0
293.08078	1.1
305.08047	0.8
307.09729	1.6
309.07648	1.2
323.09061	1.0
324.09863	1.0
327.12195	1.1
331.08029	1.6
335.09094	1.1
337.07040	0.9
337.10559	0.7
338.10849	0.8
339.12219	1.3
346.10333	1.2
353.10184	1.3
355.11905	1.4
367.11752	2.6
371.15018	1.2
372.11813	1.5
373.12573	1.2
384.12091	1.3
387.14334	4.7
399.14456	5.0
401.16089	1.1
417.15430	56.0
418.15933	3.8
435.16611	1.6
518.20172	0.6
597.19708	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	597.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01867	3.1
57.03419	5.3
57.45034	1.7
65.03945	4.1
69.03449	4.6
69.81927	8.0
73.02901	3.5
79.05498	11.6
81.03387	4.3
85.02908	12.5
91.05487	9.7
93.07050	9.7
95.04963	4.1
97.02905	4.4
98.22609	2.3
103.05467	7.0
105.07048	3.6
107.04961	28.0
111.04436	3.5
115.05448	4.3
117.07012	7.4
119.04944	7.6
121.06518	45.2
123.04485	3.3
124.05196	3.7
124.74059	2.1
125.06043	4.6
128.06215	2.6
131.04964	2.0
133.06491	4.1
137.05995	4.0
138.03169	3.6
139.03934	2.9
141.06923	2.8
145.06483	16.8
147.04411	29.3
149.05988	2.6
152.04678	2.5
153.01875	10.1
153.05478	2.1
155.05997	3.5
157.06458	4.8
159.04361	3.3
159.07997	3.1
160.05095	3.1
161.05995	11.3
163.07516	2.3
164.07076	3.9
165.29190	2.0
167.07056	90.1
168.07492	2.2
171.06642	3.3
172.05121	4.4
173.05983	6.9
175.07613	3.9
177.05554	3.3
181.04967	69.0
182.15471	2.4
187.03860	18.5
187.07567	5.5
189.05525	5.8
190.06227	4.0
195.06512	2.6
201.05455	8.3
201.09546	2.1
203.07086	4.0
205.08614	7.5
206.05721	5.6
209.71883	1.9
210.14870	3.8
213.05545	2.3
217.08574	2.9
218.05708	9.8
219.06502	5.4
219.10046	4.6
221.05969	6.4
221.08101	10.9
233.08086	55.7
234.08499	2.9
235.09669	16.3
245.08063	4.3
249.05460	7.3
251.06932	3.4
251.09175	14.0
263.09134	12.6
269.08133	3.1
276.19510	1.8
277.04825	3.2
279.09998	2.5
281.10229	3.0
284.12732	12.9
285.07413	2.7
293.07928	2.1
294.08743	2.3
295.06091	26.2
295.09360	3.7
307.09692	4.0
317.02939	2.5
318.03653	14.2
323.09058	4.0
331.08121	11.1
333.06024	30.8
334.06119	2.5
339.12451	3.0
341.05823	2.3
350.10251	4.7
355.11575	2.4
356.12842	2.7
367.11877	4.7
369.09402	2.5
372.12375	2.2
387.14444	5.5
399.14355	4.6
417.15424	100.0
418.15613	8.6
432.14490	11.8
435.16473	6.3
460.13913	21.0
465.10355	7.5
580.40851	3.9
590.58484	2.4
597.14404	7.2
597.24548	6.8
598.15259	3.6
598.41583	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	597.2232
Annotation	Cannabisin B
Peak:m/z	Relative Intensity
51.02377	0.3
53.03952	2.4
55.01848	0.8
56.65513	0.3
65.03926	0.4
69.12743	2.6
74.52971	0.3
77.03918	0.6
81.03397	0.3
91.05485	9.1
92.05857	0.4
93.07047	16.4
95.04969	3.1
99.32383	0.3
102.31736	0.3
103.04786	0.7
103.05468	12.0
105.04501	1.7
107.04977	0.3
109.02885	0.6
111.04465	0.4
119.04924	0.6
121.06509	100.0
122.06853	2.9
131.04881	0.9
135.04416	0.9
141.03383	0.5
146.06000	0.8
159.04436	1.0
160.05208	2.7
161.05925	0.4
164.07095	5.6
165.07114	0.6
177.05464	3.4
181.06424	1.8
187.03850	62.7
188.04199	2.6
193.06483	0.7
195.08012	0.9
197.05995	0.4
205.06447	3.4
221.05969	19.9
222.06306	1.3
223.07533	8.2
230.04480	0.9
233.05983	2.7
234.06664	0.6
239.07040	0.5
249.05479	19.8
250.05936	1.4
251.07056	10.8
252.07404	0.4
267.06592	2.9
269.08096	11.4
270.08398	0.6
271.05994	1.1
277.04962	7.3
278.05347	0.6
281.04395	0.6
285.07593	4.7
295.06018	70.3
296.03366	0.4
296.06378	4.6
299.05548	0.4
312.08615	1.0
341.06641	0.5
350.10226	7.6
351.10678	0.5
432.14438	45.0
433.14792	3.8
460.13913	75.2
461.14270	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	597.2232
Annotation	Cannabisin B
Peak:m/z	Relative Intensity
50.01597	0.4
51.02379	1.2
53.03947	3.4
55.01865	0.9
58.89594	0.3
63.02393	0.4
63.54350	0.4
65.03952	0.6
67.05500	1.0
69.40913	1.9
76.67547	0.4
77.03918	1.6
79.05499	2.0
81.03424	0.9
89.03917	4.0
91.05487	14.8
93.07051	16.8
95.04978	6.3
98.23312	0.8
103.05477	15.1
105.03402	3.8
105.04520	2.6
105.07054	0.4
106.04160	0.3
107.04958	9.3
109.02963	0.4
117.03386	3.7
117.06989	0.4
118.06545	0.4
119.04964	2.0
120.05751	3.1
121.02850	1.2
121.06512	100.0
122.06067	0.6
122.06844	2.7
123.04434	24.0
124.04868	0.5
131.04936	2.5
133.02861	32.3
134.03696	2.8
134.06012	0.4
135.04422	27.1
136.05206	16.6
136.06264	0.7
136.07504	1.7
137.02341	1.6
137.06012	4.0
138.09142	3.4
139.03923	0.6
145.02864	6.6
145.06477	0.4
146.03577	0.9
146.06036	1.4
147.04419	8.4
149.02365	0.6
150.03111	1.0
150.05550	0.7
151.03905	8.8
151.07541	0.6
152.04666	1.6
159.04436	3.1
161.02351	8.2
161.05972	1.1
162.03139	1.7
163.03914	68.2
164.04230	2.2
164.07077	9.9
165.07072	0.6
167.06992	2.1
167.08371	0.4
169.43677	0.4
173.02373	1.9
173.05992	0.5
175.03928	0.6
175.07436	0.4
177.05470	1.4
177.07034	1.3
178.04938	5.0
179.05727	1.2
180.06555	1.2
181.04951	2.4
181.06461	0.8
187.03918	20.6
188.04236	1.3
189.05553	0.4
191.07048	0.8
195.08113	1.0
197.36725	0.4
205.06487	4.2
221.05984	1.1
223.07571	2.4
233.05997	6.4
233.08240	0.5
234.06346	0.5
237.05453	0.7
239.07014	0.6
249.05334	1.7
251.07037	4.4
253.04898	0.5
261.05521	2.4
267.06378	0.7
269.08041	0.9
271.09744	1.3
277.04962	0.7
279.06534	6.3
280.06723	0.5
288.44073	0.4
295.06094	1.8
295.09009	0.5
297.07587	54.0
298.07834	2.2
298.10779	9.3
299.11429	1.5
300.12320	27.3
301.12637	1.5
309.11105	0.5
310.10812	1.6
314.13843	0.4
315.14227	0.6
323.05563	2.7
324.12286	2.2
432.14676	0.5
434.16006	47.3
435.16333	4.6
436.96204	0.4
460.13885	6.8
461.14291	0.9
597.22266	22.5
598.22467	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	597.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54066	1.0
57.24410	1.1
70.06593	100.0
70.85067	2.6
106.06556	23.0
109.02893	1.6
116.07088	10.8
122.09615	1.0
123.04492	1.4
127.03909	2.3
139.03860	1.7
146.06023	1.2
153.01880	4.6
157.77055	1.0
188.07069	3.6
189.07433	1.3
197.09204	17.7
205.09729	1.3
213.12334	44.8
214.12581	1.3
312.15533	11.4
318.97430	1.6
319.00842	2.6
366.48590	1.1
491.62933	1.1
495.00485	1.5
528.97272	1.1
537.02124	1.7
555.02515	2.0
556.02686	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	597.3033
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.77895	1.4
55.05516	12.1
57.03439	7.1
57.07058	1.5
64.54721	1.4
67.05508	28.5
69.03436	1.3
69.07068	15.8
75.17677	1.3
79.05502	9.2
79.05890	1.4
81.03423	11.1
81.07066	28.0
83.04975	1.2
83.08604	7.6
85.02913	1.5
86.63472	1.2
91.05493	5.7
93.07032	9.1
95.04942	1.4
95.08614	23.6
97.06514	1.7
97.10178	3.0
98.98467	29.0
99.04471	1.2
105.07046	4.4
107.08609	3.3
108.73508	1.3
109.02863	8.4
109.03478	1.0
109.06992	1.4
109.10159	10.9
111.08136	1.4
119.08571	3.9
121.10139	3.7
123.11710	3.2
125.09634	1.4
127.03898	1.9
131.60901	1.2
133.10162	2.9
135.11725	3.1
147.11703	2.8
147.71083	1.3
149.13344	1.5
155.01065	4.1
163.14920	1.3
173.02040	2.4
176.96352	1.4
186.88301	1.2
195.17509	1.1
197.80212	1.2
261.03751	9.6
263.23682	2.7
335.07370	2.0
337.27359	100.0
338.27609	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	598.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.1
55.05508	25.3
57.03427	11.4
57.07066	8.6
67.05508	79.6
69.07066	26.9
71.05007	9.6
71.08636	11.3
79.05494	55.1
81.03426	7.7
81.07058	100.0
82.07381	4.3
83.04971	14.9
83.08617	19.3
84.34156	4.3
91.05484	45.4
93.07047	75.7
93.07626	6.7
95.04972	16.4
95.08611	35.6
97.06538	12.9
97.10165	5.1
98.22581	11.6
99.08098	14.0
105.07059	25.3
107.08607	31.2
109.06532	7.1
109.10162	10.4
111.08075	7.0
117.07017	15.4
119.08586	18.6
120.17680	3.9
121.10156	24.1
122.21255	3.9
123.11720	4.7
125.09618	5.0
131.08600	10.8
133.10109	13.2
133.69960	3.9
135.11707	13.7
138.38028	4.8
139.11154	4.5
145.10086	6.5
147.11627	7.5
149.13254	27.1
151.11182	13.5
157.10176	4.0
159.11690	10.3
161.13263	4.3
163.11183	11.7
167.10696	4.1
177.12759	5.6
186.91975	4.1
195.13832	18.3
195.85783	5.0
269.17477	55.1
277.21634	12.8
295.22610	10.1
351.25269	14.3
447.51199	5.0
463.30502	83.0
464.30838	7.5
545.38269	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	598.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01872	16.5
55.05511	31.6
57.03436	13.3
57.07079	8.0
67.05510	67.5
69.07064	20.8
69.42939	16.0
71.04983	7.7
71.08641	11.9
79.05496	41.1
79.05914	3.5
81.03425	5.5
81.07062	80.2
81.07534	5.5
82.07394	2.9
83.04977	11.3
83.08614	19.0
85.06550	5.5
85.10186	6.5
91.05483	35.0
93.07051	60.3
95.04965	13.2
95.08607	32.1
97.06551	11.8
98.23354	3.0
99.08103	10.9
102.20867	2.6
105.07026	17.8
107.04942	5.6
107.08595	37.4
109.06528	4.3
109.10176	8.0
111.08085	25.8
113.09674	7.3
117.07043	7.5
119.08557	13.0
121.06534	5.1
121.10154	26.6
123.11701	7.3
125.09597	3.3
129.06981	3.4
131.08583	11.0
133.10120	19.7
135.11681	13.2
139.11191	5.4
143.08533	4.2
145.10141	6.0
147.11697	12.5
149.05870	2.7
149.09642	6.1
149.13249	28.2
151.11203	7.7
157.10106	3.9
159.11714	10.6
161.13214	3.7
163.11166	4.5
165.12776	14.6
177.12747	6.9
179.14334	3.9
195.13824	11.2
221.15370	3.3
228.74121	2.6
269.17477	100.0
277.21628	47.2
278.22021	3.7
295.22675	14.3
313.72778	2.8
351.25250	32.1
369.26233	19.6
396.61038	3.2
463.30469	10.9
483.88666	2.8
545.38428	38.5
546.38763	6.5
563.39331	34.3
564.39746	8.3
598.37073	4.1
599.35553	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	598.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27732	2.6
53.03947	6.6
55.05514	17.4
55.94297	2.8
57.03434	9.6
57.07072	5.7
60.74578	2.4
65.03938	4.8
66.52755	2.7
67.05504	71.6
67.05843	5.5
69.07066	24.0
69.08196	4.7
69.08599	15.3
71.04977	6.3
71.08628	5.6
79.05492	46.2
79.05914	4.6
81.03422	6.5
81.07057	90.8
82.07369	3.0
83.04974	11.7
83.08608	16.6
85.06541	4.7
91.05477	38.7
93.07039	67.0
95.04961	10.2
95.08615	31.7
97.06549	11.5
99.08108	8.2
105.07042	17.1
107.08588	30.4
109.06546	2.7
109.10162	7.4
111.08077	5.5
113.09618	5.1
117.07040	12.9
119.08615	9.4
121.06566	3.1
121.10133	20.2
123.08062	3.9
123.11681	4.4
125.09650	3.1
125.13211	2.7
129.07013	5.1
131.08569	13.1
133.06680	3.0
133.10150	16.4
135.08092	3.0
135.11702	12.8
139.11226	4.0
145.10153	3.5
149.05977	4.1
149.13261	18.1
151.11194	11.0
157.10057	3.3
159.11722	12.5
163.11095	4.8
177.12851	4.4
179.14339	3.9
195.13814	13.8
269.17496	43.9
270.17865	3.2
277.21613	11.7
351.25250	9.7
461.09619	2.8
463.30533	100.0
464.30826	6.7
545.38281	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	598.468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98768	2.8
55.05520	20.9
56.46678	3.2
57.03441	7.6
57.07086	4.9
65.03954	6.0
67.05510	75.9
69.07082	26.5
69.65728	2.9
71.04999	12.7
77.44634	3.3
79.05509	28.5
81.03454	8.0
81.07065	100.0
82.07410	5.9
83.08633	15.4
85.06562	6.4
91.05487	23.9
93.07054	24.0
95.05006	4.9
95.08617	33.3
96.08916	3.5
97.06561	7.8
97.10167	5.9
98.22596	10.2
103.40157	3.1
105.07034	14.8
107.08597	14.2
109.10187	13.5
119.08623	8.7
121.10153	11.0
123.11732	12.5
128.14490	3.5
133.10149	12.3
135.11670	7.0
147.11673	4.4
149.13242	5.4
159.11697	4.3
161.13344	3.3
175.14798	3.4
203.04416	3.4
215.72696	3.2
216.13306	3.3
229.41852	3.6
266.65176	3.1
267.15982	11.1
269.17517	4.4
301.20068	12.4
337.27374	25.3
339.29074	9.2
365.34695	3.9
396.46063	3.3
416.54581	3.6
505.38882	72.7
506.38995	7.6
519.40442	3.9
531.40253	13.0
551.96808	4.5
563.43036	26.9
598.49072	5.8
598.62305	3.5
599.49896	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	598.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76353	1.8
55.05513	7.2
57.01687	1.9
57.07079	34.4
58.90065	1.8
61.18369	1.8
64.87505	2.0
66.48116	1.9
67.05515	12.5
68.51360	1.9
69.07069	5.5
71.08640	27.3
73.06573	10.5
79.05512	4.6
81.03419	2.5
81.07040	12.1
83.08617	8.0
85.10191	18.4
87.04477	4.7
89.05483	4.9
89.06038	100.0
91.05470	4.6
93.07058	6.4
95.08617	8.9
97.10178	6.7
98.22588	5.7
99.11683	2.2
105.07030	3.5
107.07073	2.9
109.10146	3.6
111.11720	5.0
113.13289	2.5
117.09082	2.7
119.08656	2.5
121.10120	2.7
123.96629	2.5
131.08546	2.0
133.08618	42.7
133.09692	2.3
133.10104	3.4
136.21791	1.9
149.93991	2.0
157.10150	2.5
177.11230	15.2
221.13898	4.5
228.70894	2.0
228.91202	2.1
299.29453	4.9
337.27451	4.0
343.32098	4.6
371.22614	4.3
505.38269	3.7
581.45947	7.6
598.48126	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	599.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01876	0.3
57.03429	0.3
65.03944	5.1
68.99802	0.4
69.03432	1.4
70.50008	0.5
71.01372	0.4
73.02929	0.2
73.13190	0.2
74.24483	0.2
81.03422	6.9
83.01331	0.2
85.02899	1.7
91.05489	0.2
93.03444	0.5
95.04971	2.9
95.08570	0.2
97.02890	2.9
99.04485	0.9
105.04555	0.2
107.05003	0.3
109.02879	3.0
110.03655	0.5
111.04443	2.7
119.08584	0.2
121.02872	100.0
121.03869	3.6
122.03192	1.7
127.03928	1.2
135.04417	4.8
135.05394	0.3
136.04733	0.3
137.02359	1.2
137.05980	0.9
139.03905	6.9
142.45805	0.2
145.04964	0.5
147.04427	0.3
151.03905	0.5
153.01831	1.0
161.06003	0.3
167.07043	0.5
178.66815	0.2
179.95901	0.2
181.04967	0.2
193.01529	0.2
200.04704	0.3
204.04193	0.4
213.09131	0.2
217.05072	0.2
223.06117	0.2
228.04204	1.9
229.04904	1.1
245.04413	0.8
247.02373	0.2
256.03754	0.2
257.04510	1.0
265.07065	8.3
266.07498	0.2
273.03937	0.8
274.04681	3.0
283.08096	1.3
285.03986	0.9
301.03436	8.0
302.04205	34.2
303.04840	4.4
317.06555	74.8
318.06921	3.9
355.11740	0.2
359.07272	0.2
479.11844	1.8
599.13318	0.2
599.25702	0.3
627.65405	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	599.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.6
53.03949	1.2
55.01873	1.3
62.87189	0.5
64.47310	0.5
69.46774	3.1
70.06580	0.7
74.72389	0.5
75.84119	0.5
79.05485	0.9
81.03418	0.9
82.18750	0.5
83.45476	0.5
85.02902	2.3
94.89765	0.6
95.04984	1.5
97.02911	0.5
105.04530	0.8
107.04958	100.0
108.05289	2.1
110.86703	0.6
121.02876	1.6
121.06542	0.7
131.04936	1.4
135.04425	1.0
139.03932	0.8
145.06540	0.8
147.04401	0.7
149.05977	0.9
151.03906	1.1
157.06557	0.9
159.04407	0.9
159.08081	0.7
163.03926	1.6
171.04382	0.9
173.06013	0.8
175.03905	2.5
177.05487	1.2
181.04974	1.4
185.06010	1.4
187.03935	1.8
187.07523	1.0
189.05461	1.5
191.03426	1.0
193.04993	2.2
201.05461	1.5
203.03345	0.7
203.07079	0.9
205.04932	5.1
213.05438	1.5
217.04976	4.9
219.02910	0.6
219.06535	1.4
221.04434	1.5
223.06042	2.3
227.07080	0.5
229.05008	2.1
231.02783	0.6
231.06491	2.0
233.08340	0.7
235.06009	2.6
237.05429	0.6
241.04921	1.3
243.06578	1.2
247.05992	4.5
249.11269	3.7
253.04993	1.2
255.06493	0.9
259.06000	7.2
271.06049	2.4
273.07565	0.7
277.07034	1.3
279.06458	0.8
283.06067	2.1
285.07684	1.1
287.09055	0.8
289.07062	1.8
297.07590	1.0
299.05804	0.6
299.09244	1.5
301.07123	3.6
311.09018	0.9
313.07086	2.4
317.10236	1.2
319.08188	0.6
323.09277	0.7
325.07101	1.6
327.08597	0.5
329.10086	4.1
341.10205	4.2
343.08163	0.8
353.10187	5.4
354.10339	0.6
365.10251	4.1
377.10303	1.4
383.11194	6.6
389.10352	1.2
395.11237	7.6
396.11780	0.5
396.67966	0.6
407.11377	6.9
413.12088	2.4
419.11310	5.8
425.12360	2.5
431.13513	8.6
432.13705	0.8
443.13141	1.6
449.12250	4.5
461.12579	3.6
467.13425	2.3
473.12021	0.8
479.13290	3.0
485.14349	1.9
491.13272	0.8
497.14502	4.5
498.14465	0.8
509.14066	2.5
527.15686	1.6
529.22156	0.7
545.16095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05515	1.0
57.03431	0.6
59.04999	1.3
63.25301	0.5
67.05514	3.7
69.07089	0.9
71.05002	1.6
73.79433	0.6
79.05492	3.1
80.71042	0.5
81.03413	2.3
81.07061	4.8
83.04978	0.6
83.08640	0.7
85.02914	0.6
91.05477	4.0
93.07061	3.2
95.04990	1.6
95.08624	2.0
97.06551	1.0
98.23370	1.2
100.83316	0.4
105.07056	2.5
107.04956	0.9
107.08596	1.1
108.56612	0.5
109.06501	1.0
109.10186	0.6
113.83715	0.5
119.08604	1.8
121.10151	2.3
123.08073	0.5
123.11719	0.5
131.08574	1.9
133.10168	1.7
145.10130	0.5
147.11693	1.6
149.09645	1.8
157.10039	1.0
163.11194	0.7
165.12788	0.6
167.10715	1.0
175.11256	0.8
193.12323	1.1
211.97597	0.6
223.77711	0.6
240.72096	0.6
261.40015	0.5
267.15933	0.6
283.15182	14.6
339.17728	8.7
473.98102	0.5
599.34027	100.0
600.34271	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	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90728	3.7
52.64889	4.1
53.03927	6.5
55.05515	11.2
55.89908	3.8
56.48568	3.8
57.07101	3.9
58.98763	3.6
65.03931	4.8
67.05511	33.6
69.03439	10.8
69.07070	11.6
71.29353	3.7
79.05505	27.1
81.07062	32.6
83.04987	15.0
83.08623	10.2
85.06551	6.5
91.05482	44.5
93.07065	36.5
95.04983	14.1
95.08631	23.9
105.07041	57.0
107.08597	43.0
109.06548	11.0
109.10178	16.2
117.07030	12.1
119.08588	49.4
121.06512	16.4
121.10159	47.2
123.08075	19.8
123.11773	4.5
125.09619	10.6
128.06245	10.3
128.56345	4.2
129.06960	9.9
130.07803	8.2
131.08598	26.3
133.06479	5.9
133.10164	26.4
135.08104	21.7
135.11723	10.9
137.09619	16.0
141.06992	5.5
142.07796	10.3
143.08589	43.5
144.09303	10.9
145.10133	34.5
147.08066	24.3
147.11723	11.1
149.09663	17.6
151.07571	17.9
155.08582	11.3
156.09369	12.6
156.75078	4.6
157.10147	36.6
159.08078	12.6
159.11742	24.0
161.09628	15.3
161.13266	9.4
163.11217	13.6
165.09151	28.9
167.08572	9.1
167.10699	14.2
169.10155	27.1
170.10890	5.6
171.08009	4.8
171.11723	31.0
173.09616	6.7
173.13248	13.7
175.11214	7.6
181.10147	14.9
181.12152	5.6
183.11736	18.8
185.09633	5.6
185.13292	12.1
189.12822	8.9
191.14305	10.1
193.10110	10.3
194.10840	6.7
195.11768	17.3
197.13277	15.4
199.11224	10.1
199.14891	7.4
203.14395	14.8
207.11726	12.5
207.13835	13.3
209.13309	13.2
209.15269	5.9
211.14862	8.7
213.12724	4.7
215.14409	7.9
218.10744	4.7
219.13692	4.7
221.13272	11.7
221.15404	50.2
223.14850	7.3
225.12857	5.7
225.16499	6.4
227.14355	6.0
232.12555	5.5
233.13257	10.7
233.15396	36.8
259.14761	4.7
281.18887	11.7
298.74124	4.6
299.20120	9.3
346.34537	4.2
364.23874	5.7
441.29715	5.1
480.80093	4.9
495.29361	10.0
507.34735	94.2
508.35162	6.9
599.31750	37.0
599.40833	100.0
599.50220	5.6
600.32349	5.6
600.41034	15.5
621.84296	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	599.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59661	1.5
51.88771	1.6
53.03956	1.7
53.58111	1.4
54.27394	1.5
54.73876	1.6
55.05508	5.3
57.07077	5.7
59.05019	2.7
65.72840	1.7
67.05505	13.0
69.03442	6.3
69.07072	8.2
79.05486	9.1
81.07063	15.2
82.07383	1.7
83.04993	2.5
85.06550	4.5
86.09733	2.2
91.05491	13.2
93.07040	21.1
95.05009	4.5
95.08609	16.4
97.06538	3.4
98.23341	4.7
104.10767	5.3
105.07035	21.7
107.08595	10.7
109.06546	6.4
109.10177	5.7
113.67960	1.9
117.07056	3.9
119.08600	25.3
121.06528	4.0
121.10175	14.8
123.08062	12.1
123.11747	3.9
125.05959	3.6
128.06248	3.4
129.07031	2.5
131.08543	8.1
133.10112	11.4
135.08052	11.6
135.11726	4.1
137.09627	9.4
139.07556	1.6
141.07010	1.8
142.07790	4.9
143.08559	9.2
144.09335	2.5
145.10135	13.8
146.98230	5.1
147.08064	17.5
147.11713	4.2
149.09593	3.5
151.07529	8.9
155.08578	5.6
156.09390	2.7
157.10132	10.5
158.95499	1.8
159.08133	5.1
159.11656	8.3
161.09711	7.1
161.13322	5.2
163.11226	6.2
164.63739	1.7
165.09109	43.6
165.10422	3.1
167.08647	2.2
169.10139	8.0
170.10938	2.9
171.11768	7.5
173.09662	2.7
173.13278	3.1
175.11226	3.6
175.14952	2.1
177.09273	1.9
179.86067	1.7
181.10146	4.2
181.12312	6.8
183.11671	11.3
183.70164	1.5
185.13336	4.8
187.11296	1.7
189.12865	4.5
191.53105	2.0
195.11745	3.0
196.12421	1.9
197.13289	3.0
199.11169	2.6
203.14297	17.4
207.11952	2.7
207.13901	5.2
209.13300	3.3
211.14903	4.6
213.12790	1.9
221.15359	100.0
222.15799	3.6
225.16638	2.2
229.15767	2.0
233.15382	1.8
247.16975	11.6
287.20197	6.4
299.20056	3.3
301.21741	3.4
337.27374	4.0
338.27893	2.2
339.27893	2.4
365.24899	2.9
391.26410	7.4
419.29440	3.4
427.28784	5.0
483.25104	1.7
507.34811	7.0
519.34424	3.7
542.32275	7.4
542.39819	1.8
581.39508	2.0
599.11548	10.7
599.41016	54.9
599.50299	3.5
600.12854	2.4
600.41217	4.2
622.65723	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	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40236	0.2
55.80892	0.3
60.40016	0.3
63.89418	0.3
68.67322	0.3
69.03413	0.4
71.29102	0.3
73.20506	0.3
77.52340	0.3
81.03428	0.4
83.79898	0.3
85.02905	1.6
89.73361	0.4
91.05481	1.2
97.02885	0.7
105.07023	0.5
107.04948	0.7
109.02850	0.3
115.05466	1.4
116.06250	0.3
117.06981	0.4
119.29118	0.3
121.06486	0.5
128.06226	1.6
129.07011	4.7
131.08582	5.2
131.66679	0.3
133.06529	0.9
133.10117	0.4
141.07031	1.8
142.07755	0.5
143.08556	1.0
144.05705	2.4
145.04918	0.4
145.06520	0.8
146.07271	1.0
147.04405	1.2
147.08015	0.3
153.01857	0.6
153.07001	0.7
155.05951	0.5
157.06531	2.3
158.07257	0.6
159.08061	11.1
159.09378	0.6
160.08438	0.3
161.06021	0.8
161.09641	2.7
167.07028	0.9
169.07661	1.2
170.07234	2.1
171.08031	2.2
172.05164	0.8
173.05952	1.6
174.06749	0.9
175.07527	0.9
177.05536	0.5
187.07564	8.1
188.08150	0.5
189.05470	0.5
189.09099	4.2
190.06160	0.4
191.07005	0.8
192.07811	0.5
193.08560	0.5
198.06816	0.7
199.07558	1.0
201.05579	0.5
203.06998	1.4
204.07823	5.0
205.08490	0.8
207.10164	0.4
209.08170	0.4
216.07907	1.5
217.08344	0.3
218.09378	0.5
219.06563	0.7
219.10185	2.1
221.07971	0.3
221.11823	1.5
231.10159	2.9
234.08998	0.3
237.11211	1.2
249.11226	100.0
250.11572	4.6
267.12302	2.7
336.40500	0.3
399.19537	0.3
411.16763	0.4
457.24039	0.3
571.83563	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	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72966	0.4
69.03419	0.6
69.28624	3.1
72.91487	0.5
85.02902	0.8
85.85327	0.4
91.05476	1.6
98.22656	1.0
107.04938	0.6
115.05461	1.3
116.79053	0.5
117.07005	0.9
128.06235	1.7
129.07021	5.8
131.04971	0.6
131.08571	5.4
133.06456	0.9
141.06992	2.0
142.07738	0.6
143.08554	1.3
144.05753	2.3
145.06488	1.4
153.07036	0.7
156.05736	0.5
157.06505	3.2
158.07159	0.8
159.08051	10.7
161.09618	2.8
161.17528	0.5
169.06360	0.5
169.07623	1.3
170.07318	2.6
171.08029	2.1
173.05971	1.4
174.06752	1.2
175.07497	1.3
187.07527	8.1
189.05374	0.6
189.09149	3.6
199.07524	1.1
201.09103	0.7
203.07014	1.3
204.07841	4.6
205.08524	0.7
206.09393	0.6
216.07742	1.1
219.10152	2.6
221.11766	1.4
231.10132	3.2
233.11708	1.5
234.08955	0.5
249.11230	100.0
250.11598	5.0
251.12712	3.0
267.12164	3.0
294.20508	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	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
61.98801	0.5
69.03427	0.6
69.53247	0.7
69.53588	2.4
70.06595	0.7
72.08161	0.7
76.71310	0.5
80.72068	0.5
81.03387	0.8
83.08641	0.5
91.05479	2.4
95.05037	0.5
98.23344	0.6
100.07612	1.2
100.11238	2.4
101.11567	1.0
105.07013	0.9
107.04951	1.1
111.04411	1.1
113.97188	0.6
115.05465	1.4
117.07006	1.0
121.02837	0.5
127.11246	0.6
128.06207	1.6
129.07005	5.4
131.04895	0.7
131.08578	6.7
133.06529	1.0
137.02357	3.6
141.07033	1.3
142.07803	0.9
143.03419	0.6
143.08542	0.9
144.05722	2.9
145.06488	1.8
146.07245	0.7
147.04387	1.5
152.06287	0.7
153.01817	5.7
157.06429	2.7
159.08063	9.7
160.08510	0.7
161.09601	3.6
167.07048	1.4
170.07286	1.6
171.08058	2.1
173.05971	1.6
175.07588	1.1
182.15381	1.6
183.15733	1.7
187.07550	7.5
189.05534	0.7
189.09097	4.4
191.07053	0.8
198.06737	0.7
199.07558	0.9
203.07014	1.6
204.07829	4.8
207.10100	0.6
210.14888	2.4
211.15254	2.0
216.07817	1.2
219.10129	2.6
221.11681	1.0
231.10143	3.5
233.11763	1.1
237.11224	1.3
249.11229	100.0
250.11644	4.0
251.12813	1.8
267.12250	1.6
276.97025	0.6
287.05487	12.7
303.05038	1.8
408.27579	0.7
581.40479	0.7
582.40839	1.2
583.39667	0.7
599.41968	1.3
600.27563	0.6
600.42151	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	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
57.03432	0.2
69.03424	0.8
69.64280	1.0
74.81838	0.2
79.05499	0.3
83.04995	0.4
85.02911	1.8
91.05500	1.5
97.02894	0.8
98.23264	0.4
103.05442	0.2
105.07030	0.7
107.04944	1.1
107.98218	0.2
109.43318	0.2
114.13803	0.2
115.03817	0.3
115.05428	1.3
116.06226	0.6
117.07011	0.8
121.06512	0.8
123.04349	0.2
127.03949	0.4
128.06229	2.3
129.07007	5.6
131.04919	0.7
131.08572	5.9
133.06474	0.6
133.10107	0.5
136.03940	0.6
141.06984	2.3
141.52222	0.2
142.07849	0.6
143.08559	1.4
144.05734	2.9
145.04915	0.3
145.06538	1.7
146.07257	0.9
147.04408	0.5
147.08119	0.4
152.06168	0.5
153.01820	0.5
153.07005	0.6
155.05980	0.4
156.05679	0.7
157.06473	2.8
158.07140	0.7
159.08054	10.2
160.05154	0.4
160.08487	0.5
161.04744	0.2
161.05920	1.2
161.09630	3.1
162.07651	0.5
167.07040	2.2
169.06387	0.5
169.07620	0.9
170.07283	2.0
171.08055	2.5
172.05208	1.4
173.05952	1.2
174.06764	0.9
175.07547	0.9
178.06282	0.3
180.08704	0.9
181.06438	0.6
186.06807	0.4
187.07539	8.7
188.08032	0.5
189.05562	0.5
189.09093	3.9
190.06247	0.4
191.07048	0.4
193.08606	0.5
198.06738	0.6
199.07538	1.0
201.05431	0.5
203.07063	1.7
204.07809	5.6
205.08492	1.0
205.10283	0.2
206.09358	0.4
216.07852	1.8
217.08675	0.4
218.09372	0.7
219.10069	2.0
221.11707	1.4
231.10132	3.0
232.10545	0.4
237.11208	1.0
249.11223	100.0
250.09093	0.4
250.11578	4.9
267.12241	1.0
292.25967	0.3
303.05023	0.3
315.09515	0.2
343.19547	0.3
422.81537	0.2
600.26422	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	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
57.76129	0.3
62.43744	0.4
69.03440	0.8
70.06602	0.9
70.85679	0.7
72.08161	0.4
78.04707	1.1
79.05497	1.3
80.61758	0.4
80.89935	0.3
85.02895	0.8
86.09692	0.4
91.05449	0.6
93.07082	0.4
97.02882	0.4
103.05489	0.9
105.07035	3.4
106.04176	0.8
107.04967	1.0
115.05424	0.6
121.06551	0.4
123.04453	2.7
124.05212	1.1
127.03929	0.7
133.06483	2.8
137.06001	0.4
149.05934	0.5
151.03944	0.6
152.04706	1.0
153.01834	4.9
153.02968	0.7
161.05998	7.3
167.07050	100.0
168.07393	3.2
181.08621	0.6
193.08620	10.9
194.09007	0.5
195.58659	0.4
211.09668	10.8
237.11275	0.3
249.11278	0.6
287.05505	1.6
309.94199	0.3
320.62552	0.4
387.80499	0.4
489.36249	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	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40236	0.2
55.80892	0.3
60.40016	0.3
63.89418	0.3
68.67322	0.3
69.03413	0.4
71.29102	0.3
73.20506	0.3
77.52340	0.3
81.03428	0.4
83.79898	0.3
85.02905	1.6
89.73361	0.4
91.05481	1.2
97.02885	0.7
105.07023	0.5
107.04948	0.7
109.02850	0.3
115.05466	1.4
116.06250	0.3
117.06981	0.4
119.29118	0.3
121.06486	0.5
128.06226	1.6
129.07011	4.7
131.08582	5.2
131.66679	0.3
133.06529	0.9
133.10117	0.4
141.07031	1.8
142.07755	0.5
143.08556	1.0
144.05705	2.4
145.04918	0.4
145.06520	0.8
146.07271	1.0
147.04405	1.2
147.08015	0.3
153.01857	0.6
153.07001	0.7
155.05951	0.5
157.06531	2.3
158.07257	0.6
159.08061	11.1
159.09378	0.6
160.08438	0.3
161.06021	0.8
161.09641	2.7
167.07028	0.9
169.07661	1.2
170.07234	2.1
171.08031	2.2
172.05164	0.8
173.05952	1.6
174.06749	0.9
175.07527	0.9
177.05536	0.5
187.07564	8.1
188.08150	0.5
189.05470	0.5
189.09099	4.2
190.06160	0.4
191.07005	0.8
192.07811	0.5
193.08560	0.5
198.06816	0.7
199.07558	1.0
201.05579	0.5
203.06998	1.4
204.07823	5.0
205.08490	0.8
207.10164	0.4
209.08170	0.4
216.07907	1.5
217.08344	0.3
218.09378	0.5
219.06563	0.7
219.10185	2.1
221.07971	0.3
221.11823	1.5
231.10159	2.9
234.08998	0.3
237.11211	1.2
249.11226	100.0
250.11572	4.6
267.12302	2.7
336.40500	0.3
399.19537	0.3
411.16763	0.4
457.24039	0.3
571.83563	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03184	0.8
50.04866	0.7
53.03942	0.8
53.90012	0.7
55.01855	0.8
55.05509	5.2
55.24229	0.9
57.07063	1.6
57.98797	1.0
58.99588	22.4
67.05508	9.7
69.07069	4.9
71.04990	1.2
76.02231	78.6
76.04006	3.1
79.05500	6.3
81.07059	13.9
81.90237	1.0
83.04987	3.2
83.06117	1.7
83.08620	2.3
84.04504	10.9
86.09723	1.7
86.99059	4.0
88.02242	1.9
91.05476	9.2
93.07042	9.7
94.55224	1.0
95.04981	2.6
95.08613	8.9
97.06537	2.0
97.10192	1.6
98.22650	2.6
102.05556	1.8
104.10770	2.4
105.07024	9.3
107.04974	3.2
107.08578	7.3
109.06535	6.0
109.10179	4.5
111.08090	0.9
112.76388	0.9
115.50912	1.0
116.01685	20.3
117.07046	3.4
119.08578	5.7
121.06538	4.6
121.10131	4.1
121.83535	0.7
123.08090	2.3
123.11781	0.9
129.06686	1.4
130.04993	7.3
131.08571	8.1
133.10139	7.0
135.08064	1.7
135.11714	3.1
142.03253	6.4
143.08549	1.6
144.01155	13.9
145.06387	1.1
145.10172	4.8
147.04407	1.7
147.08084	2.5
147.11685	4.3
149.09647	2.2
149.13301	1.7
151.11169	2.7
157.10147	2.1
159.08107	1.2
159.11729	2.6
161.09618	1.3
161.13306	1.2
162.02206	42.1
163.11201	2.7
169.10085	1.0
170.02754	3.5
171.11716	1.7
173.13304	2.5
175.11099	1.1
179.04863	100.0
180.05244	1.5
183.11765	1.0
184.07346	5.3
187.05350	3.2
201.12878	1.5
201.38368	1.0
207.13846	1.8
215.04939	1.6
219.13782	1.5
229.19409	1.6
233.05940	12.2
245.05940	3.7
257.19016	5.0
273.18491	2.6
275.20081	31.8
275.23029	1.9
276.20465	1.8
291.06384	2.1
291.19571	2.8
293.21109	22.3
308.09100	28.7
309.09473	1.5
368.22607	9.4
378.21033	1.0
435.34439	0.9
453.24075	4.9
471.25372	2.4
525.26331	3.5
600.29803	6.8
601.29211	1.7
622.64105	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01870	1.8
55.05511	4.7
56.05035	0.8
56.20225	0.3
57.07062	0.6
58.99579	1.5
65.03951	1.0
67.05511	10.1
68.05030	0.6
69.07069	3.5
71.04990	1.2
73.01166	0.5
74.00670	3.2
76.02241	2.8
79.05499	8.0
80.05021	2.8
81.03413	0.8
81.05795	0.5
81.07065	22.8
82.06577	0.6
83.04998	1.5
83.06091	2.0
83.08620	2.6
84.04513	5.4
85.01128	1.5
85.06552	1.1
86.00640	1.3
87.02693	0.6
88.02233	0.7
90.44630	0.4
91.05486	8.6
93.07053	9.3
94.06582	1.4
95.04967	2.7
95.08615	11.0
96.08173	0.4
97.01114	1.6
97.06529	1.2
97.10165	0.6
99.01427	5.4
99.02686	0.8
99.05600	0.5
99.08106	0.4
100.02208	7.9
100.48370	0.4
105.04531	0.5
105.07039	7.7
106.06562	0.8
107.04966	1.4
107.06091	0.5
107.07426	0.4
107.08612	5.9
108.04451	0.4
108.08122	1.4
109.06535	4.4
109.08970	0.4
109.10180	2.8
111.02691	1.0
111.08087	1.1
112.02211	9.1
113.00594	1.0
113.02988	1.5
113.04221	0.9
113.05976	0.5
114.03766	8.6
115.05780	0.7
116.01700	1.8
117.07023	2.1
119.08583	6.0
120.08089	1.7
121.06516	1.6
121.10132	4.1
122.09676	0.7
123.02686	1.0
123.08066	1.5
123.11702	1.3
125.04236	1.7
125.09648	0.6
126.03764	3.9
127.07532	0.4
129.06531	1.9
130.05026	1.6
131.08595	3.9
132.08130	0.4
133.06467	0.8
133.10149	3.6
134.09644	0.8
135.08070	1.1
135.11717	1.2
136.03943	1.0
137.04227	1.3
137.09608	1.2
138.03712	2.6
139.03247	1.0
139.05745	0.8
140.05289	8.9
141.02448	0.4
141.03667	0.4
142.03261	0.6
143.08560	1.1
144.01154	0.7
145.06134	0.9
145.10126	3.3
147.11699	3.8
148.11160	0.5
149.09639	1.5
149.13280	1.6
151.05809	1.1
151.11075	0.5
152.05313	2.4
153.06529	0.6
154.06833	1.8
155.08304	0.6
157.10121	0.8
159.08034	0.4
159.11726	1.4
161.13249	0.6
162.02243	1.3
163.11276	1.8
163.14839	0.6
165.12784	1.0
166.06865	1.9
167.07620	0.7
168.08437	16.5
169.06174	0.6
169.08847	0.6
171.11679	0.5
171.64833	0.4
173.13303	2.3
179.04933	1.2
179.10564	0.5
180.08353	0.5
181.06006	1.1
183.11700	0.5
185.03827	2.8
187.05362	0.5
187.14973	0.4
189.12761	0.6
191.14305	1.0
193.06090	0.6
201.63182	0.4
202.04004	2.0
207.13799	0.8
208.17026	0.5
209.09030	0.5
209.15306	2.8
216.05659	2.4
221.09850	0.4
222.14969	1.0
223.11359	0.4
229.06465	0.6
231.04359	3.6
233.05992	1.3
234.14917	0.4
236.14668	1.2
236.16612	0.9
238.95490	0.4
239.11110	0.5
240.14348	0.4
241.06410	0.9
247.20544	0.6
248.16550	0.8
253.12437	0.5
255.08009	3.3
256.08899	0.5
257.19025	0.8
264.14194	6.9
265.15152	0.7
269.09534	2.5
270.10321	8.9
271.11029	1.8
275.20090	7.2
276.20477	0.7
276.27292	0.4
280.13733	0.4
281.14349	2.3
282.15244	33.6
283.15656	2.1
293.21069	1.3
307.08859	0.4
307.17242	0.5
308.09131	1.4
323.16058	1.1
323.20111	0.6
324.20056	0.6
332.20428	0.9
333.18832	2.7
339.17545	1.0
350.21497	10.4
351.19553	2.0
368.22586	11.8
369.22998	0.5
378.20917	1.1
384.17136	15.5
385.17923	4.3
407.23825	0.8
435.23230	1.0
453.24203	100.0
454.24512	8.4
479.25488	0.8
507.25314	1.0
525.26233	5.3
573.11755	0.4
582.28180	1.5
583.27795	0.7
600.29474	3.2
601.29926	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.8
53.03947	6.9
55.01868	4.8
55.05513	20.0
57.07074	9.7
58.38925	3.0
59.04981	3.6
63.13316	3.3
65.03931	4.6
67.05504	31.8
69.03442	19.7
69.03770	4.1
69.05122	24.7
69.05525	7.6
69.07063	16.5
71.05003	3.5
76.88321	3.9
79.05502	39.8
81.03419	4.6
81.07059	42.7
83.04981	13.5
83.08629	7.2
85.06548	8.6
91.05486	64.0
93.07050	78.9
95.04980	19.7
95.08605	50.4
97.06536	10.0
103.05381	3.7
105.07035	100.0
105.42085	3.2
107.08599	58.0
109.06483	20.9
109.10170	19.1
111.08089	8.5
115.05481	4.4
117.07012	28.9
119.04899	4.1
119.08582	82.9
121.06511	15.6
121.10142	56.6
123.08058	28.9
123.11719	5.9
125.06021	5.4
125.09599	5.1
128.06242	12.9
129.07011	35.0
130.07765	10.4
131.08574	47.8
133.06529	16.1
133.08609	5.1
133.10123	43.3
135.08052	35.1
135.11688	12.2
137.06076	4.2
137.09616	20.8
139.11246	4.0
141.07001	11.0
142.07800	33.0
143.08562	54.3
144.09300	14.6
145.10136	65.0
146.07329	4.1
146.10538	5.6
147.04472	3.7
147.08055	41.2
147.11664	10.5
149.09612	20.3
151.07544	30.6
155.08525	21.1
156.09323	15.4
157.10130	89.4
158.10783	12.6
159.08076	16.6
159.11688	31.3
160.08829	7.4
161.09663	23.9
161.13245	10.8
162.10042	3.6
163.11177	17.5
165.09117	49.9
167.08548	11.0
167.10695	12.5
168.09256	5.8
169.10152	29.0
170.10864	14.3
171.08153	4.7
171.11723	38.0
172.08876	4.5
172.12454	5.1
173.09653	9.5
173.13257	14.9
173.37582	3.7
175.11168	31.7
176.11790	3.4
177.09151	5.1
177.12715	5.5
179.08572	11.5
180.09352	4.2
181.10141	20.1
181.12257	8.3
182.10817	10.0
183.11676	22.0
184.12305	7.9
185.09602	8.5
185.13281	17.1
186.13835	3.4
187.11145	10.3
187.14841	5.5
188.11884	4.4
189.12753	15.6
190.13538	11.8
191.10580	4.4
191.14281	4.8
192.09366	4.3
193.10149	19.2
193.12236	13.1
194.10957	8.9
195.11748	27.8
196.08618	3.2
196.12439	10.8
197.09605	7.7
197.11609	4.3
197.13272	20.9
199.11211	9.7
199.14909	4.8
201.12807	8.3
203.14360	32.9
205.10120	8.0
205.11920	3.5
206.10916	8.4
207.11687	15.6
207.13818	15.0
208.12544	7.0
208.14496	7.2
209.13283	22.7
209.15173	5.6
210.13937	4.5
211.11218	10.6
211.14821	11.4
213.12794	8.1
215.10542	3.4
219.11769	6.9
219.13844	8.5
220.12512	6.4
221.13275	16.4
221.15379	78.1
222.15742	6.6
223.14789	12.2
225.12766	10.1
225.16403	5.8
227.14244	7.6
231.11644	5.8
232.12466	4.4
233.13326	6.2
233.15359	22.2
234.14034	5.3
234.16133	9.7
235.14879	8.9
237.12706	8.7
237.14848	21.8
239.14272	4.9
241.15631	4.4
243.17395	4.2
247.14835	5.1
247.16983	9.0
248.13988	7.3
249.16443	7.8
251.14433	4.4
253.16010	6.9
255.17365	18.2
259.14682	6.6
261.16321	8.6
263.17917	3.9
265.15768	5.3
271.17059	7.1
274.19296	11.9
277.15894	5.0
279.17255	4.3
281.18973	6.8
285.18457	4.6
286.19247	15.9
287.20035	9.8
294.19772	7.2
295.20547	7.9
299.20093	11.8
303.19550	52.9
305.18979	3.5
311.20016	4.5
312.20792	5.6
313.21555	10.8
325.21555	13.7
337.21564	11.1
352.23956	77.5
353.24515	7.1
365.24661	14.1
377.24762	7.3
420.30203	4.5
487.31924	4.8
502.34442	10.1
503.34692	6.1
505.32928	7.4
520.35840	32.3
521.35583	4.9
583.41296	5.8
600.41400	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01876	3.4
55.05513	14.4
57.07075	12.7
59.05015	3.8
67.05505	23.6
69.03437	15.1
69.07068	11.5
69.55050	7.2
69.55444	4.2
71.04997	4.0
79.05502	25.9
81.03454	3.0
81.07063	30.6
83.04992	13.1
83.08633	11.6
85.06540	5.1
89.06051	3.4
91.05487	40.7
93.07051	49.7
94.07385	6.9
95.04978	19.4
95.08608	36.2
97.06530	12.9
105.07037	72.8
106.07328	2.9
107.04994	5.8
107.07881	3.1
107.08600	45.9
108.08957	2.7
109.06512	14.0
109.10179	15.1
111.08141	2.8
113.09657	4.5
115.05477	2.8
117.07058	16.7
119.08585	61.9
121.06532	10.2
121.10138	30.6
122.10471	2.6
123.08091	22.8
123.11705	5.7
123.43633	2.7
124.08398	3.6
125.06004	4.0
125.09682	5.6
128.06224	11.3
129.07014	16.5
130.07794	6.5
131.08571	34.6
133.06487	5.8
133.08589	4.1
133.10133	36.1
135.08061	18.3
135.11699	8.2
137.09645	14.6
139.07480	3.7
141.07019	7.0
142.07788	20.4
143.08580	35.8
144.09331	10.5
145.06418	2.8
145.10132	49.8
146.10542	4.5
147.08090	28.6
147.11690	8.8
147.50606	2.5
149.09673	11.1
150.10371	3.2
151.07553	16.4
151.11223	3.3
153.07068	3.2
153.09102	2.8
154.39996	2.7
155.08601	14.8
156.09360	17.5
156.30811	2.6
157.10144	53.1
158.10785	8.4
159.08066	14.2
159.11685	26.8
160.08841	5.6
160.12079	3.7
161.09621	16.1
161.13283	8.9
163.11211	17.1
165.06985	6.6
165.09122	40.6
166.09448	6.3
167.08540	5.9
167.10709	9.8
168.09351	9.2
169.10149	19.9
170.10916	6.8
171.08069	4.3
171.11714	21.1
172.12285	6.8
173.09634	11.3
173.13260	9.5
175.11185	19.4
175.14824	7.4
177.09120	3.2
177.12741	5.1
179.08629	6.6
179.10599	3.2
180.09393	6.0
181.10123	11.7
181.12183	13.0
182.10939	5.2
182.12643	2.7
183.08057	2.8
183.11688	18.4
184.12405	5.0
185.09557	5.1
185.13257	18.3
186.13840	2.9
187.11198	9.4
187.14815	3.3
189.12767	10.6
190.13487	13.2
191.10724	3.4
191.14217	3.6
193.10110	7.6
193.12173	4.4
194.10861	7.2
195.11707	19.2
195.13748	4.4
196.12422	7.2
197.11694	4.0
197.13303	12.2
198.13869	2.7
199.11172	6.5
199.14853	7.2
200.12018	3.9
201.12817	7.3
203.14334	23.3
204.14659	3.7
205.10011	2.4
205.12180	3.0
206.10866	3.5
207.11737	13.1
207.13849	10.4
208.12489	4.6
208.14610	7.7
209.13272	15.3
209.15250	6.3
210.13783	5.0
211.11240	4.8
211.14824	9.3
212.15192	2.6
213.12790	10.1
213.16420	5.2
215.14215	4.4
217.16011	2.9
218.16689	3.0
219.11717	5.9
219.13785	5.1
220.12439	4.2
221.13332	9.0
221.15364	100.0
222.13902	4.0
222.15781	15.7
223.14888	8.3
224.15326	2.4
225.12749	5.7
225.16362	5.6
226.13350	3.1
227.14345	3.3
227.62309	2.4
231.11589	2.9
233.13257	4.2
233.15393	14.1
234.15962	11.4
235.14862	5.9
235.16936	3.0
236.15410	3.1
237.12784	5.2
237.14751	24.9
237.16739	2.4
239.14339	3.4
241.16029	4.5
245.15604	2.9
247.14815	4.6
247.16989	14.9
248.14090	5.4
249.16440	5.1
253.15997	3.7
255.17441	17.3
256.17862	2.9
257.13153	2.8
259.14682	2.9
259.17105	3.8
261.16397	2.9
265.16202	2.8
265.19455	3.8
270.19775	6.4
271.17084	5.9
274.19379	18.1
279.17407	3.8
281.18979	3.8
285.18628	5.2
286.19342	15.0
287.20026	11.0
294.19705	5.0
295.20712	4.5
297.18497	3.5
299.20081	14.8
300.20667	4.1
303.19528	38.0
311.19986	5.4
312.21106	3.9
313.21628	24.1
325.21671	16.1
337.21732	8.1
347.23602	3.5
352.23981	75.6
353.24365	4.6
365.24673	17.0
366.24969	4.2
377.24835	6.7
383.25739	3.4
414.27649	3.3
419.29379	3.2
420.30127	4.4
502.34283	8.8
503.35547	4.5
504.35565	2.8
505.33539	2.9
507.34479	9.2
508.35135	5.2
520.35474	30.1
582.40277	9.7
583.42261	3.3
585.38666	4.5
600.41333	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29470	5.7
53.03946	8.6
53.58217	5.8
55.05515	21.4
57.07082	22.1
59.61831	5.8
61.45060	6.9
67.05511	38.8
69.03443	17.4
69.07074	22.6
69.51363	22.7
69.51771	13.4
75.18168	6.8
79.05492	34.3
79.05904	6.1
81.03419	8.2
81.07071	53.1
83.04989	21.7
83.08613	22.3
83.09074	5.8
89.06039	29.7
91.05484	61.5
93.07057	59.9
95.04980	28.4
95.08620	48.6
97.06555	11.2
98.06861	7.3
98.22696	12.9
105.07040	73.8
107.04988	8.4
107.08592	40.5
109.06519	15.1
109.10177	24.9
114.50060	7.1
117.07037	18.7
119.08591	65.8
121.06511	10.9
121.10159	41.0
123.08062	31.3
123.11736	7.8
128.06288	14.0
129.07036	23.3
131.08585	39.6
132.09361	6.8
133.06549	7.2
133.08655	10.9
133.10141	42.6
135.08092	33.1
135.11719	20.1
137.09647	16.7
139.60109	6.2
141.06953	8.2
142.07809	21.5
143.08560	33.7
144.09378	15.2
145.10165	54.7
147.04402	16.5
147.08115	34.3
147.11720	17.3
149.09592	11.3
151.07561	20.6
155.08586	18.0
156.09354	10.8
157.10147	62.6
158.10892	8.2
159.08128	8.3
159.11726	39.6
161.09682	16.9
161.13297	11.4
163.11151	34.3
165.09193	43.2
168.09377	10.6
169.10191	23.8
170.10883	11.6
171.07983	6.3
171.11665	30.8
172.12448	7.6
173.09628	9.7
173.13306	10.9
175.11176	19.1
179.10577	6.0
181.10161	9.4
181.12263	14.2
182.10913	7.8
183.11691	14.8
185.13255	16.9
187.11147	8.8
189.12891	6.7
190.13554	9.0
191.14366	7.0
193.10179	11.6
195.11749	13.8
197.13332	15.0
199.11305	8.1
203.14368	21.9
207.11696	12.7
207.13884	19.3
208.12431	7.3
208.14494	9.2
209.13379	16.4
211.14825	9.3
219.13707	8.5
221.13278	12.6
221.15353	100.0
222.15794	14.9
223.14914	9.0
233.15472	9.9
235.14896	8.4
237.12764	8.2
237.14880	24.1
247.17000	9.4
248.14105	10.8
251.18135	8.4
255.17377	13.6
259.17078	7.3
261.16266	7.5
274.19366	21.6
281.18777	8.0
286.19275	14.2
287.05612	8.1
287.19800	8.2
299.19980	11.6
303.19577	33.2
313.21646	18.2
325.21484	12.5
352.23969	80.1
353.24265	6.2
365.24854	16.9
503.35278	7.8
520.35278	43.7
600.41425	20.0
600.51007	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.9
57.07074	24.4
59.04998	7.7
65.52856	6.1
67.05501	49.5
69.03417	14.0
69.07070	22.9
69.68398	31.4
70.06573	7.1
71.94415	5.7
79.05503	37.8
81.07063	74.9
83.08633	16.3
83.27992	6.2
89.06010	17.5
91.05479	63.1
93.07036	72.8
95.04990	17.0
95.08600	55.9
97.06546	18.5
105.04542	9.5
105.07029	82.9
107.08602	45.4
109.06549	11.1
109.10172	23.6
111.08098	7.3
113.09631	11.0
117.07006	20.5
119.08578	75.4
121.10124	39.8
123.08077	32.9
125.09615	9.6
128.06200	13.1
129.07036	19.3
131.08537	30.0
133.08617	19.4
133.10124	38.9
135.08096	30.8
135.11719	19.5
137.09650	19.3
139.11171	10.8
141.07013	7.3
142.07755	12.9
143.08575	32.8
144.09364	6.9
145.06479	15.1
145.10135	67.9
147.04436	9.2
147.08029	35.2
147.11646	10.5
149.09613	13.0
151.07571	13.6
155.08534	12.1
156.09312	9.9
157.10114	53.7
158.10905	8.8
159.08087	16.7
159.11688	37.2
160.08844	57.1
161.09621	7.2
161.13289	10.5
163.11200	25.1
165.09132	62.1
167.08601	6.7
169.10150	13.2
171.11687	24.6
173.09616	13.5
173.13292	11.3
175.11224	21.5
175.14868	8.9
181.10274	12.2
181.12234	29.0
183.11676	22.6
185.13281	19.4
187.11230	8.6
191.10899	7.2
193.10052	9.0
193.12338	8.8
195.11732	19.3
195.13823	7.4
196.12486	9.1
197.13269	13.5
199.11197	7.6
201.12788	8.1
203.14354	22.8
207.11943	12.5
207.13747	10.9
208.14551	13.1
209.13278	21.1
211.14804	12.0
219.13826	11.0
221.13318	13.5
221.15344	100.0
223.14737	6.6
234.16171	23.2
235.14735	9.7
237.16364	8.9
247.16925	18.2
274.19397	9.9
283.26334	21.6
286.19379	14.2
287.20004	12.5
299.20007	12.5
312.20795	8.7
313.21463	7.3
325.21521	13.0
340.24097	11.6
344.31265	8.5
352.23929	34.6
353.24396	6.7
365.24783	10.1
419.29523	8.9
440.29276	39.8
520.35406	18.1
600.41455	25.0
600.56592	31.0
601.41608	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.9
57.07074	24.4
59.04998	7.7
65.52856	6.1
67.05501	49.5
69.03417	14.0
69.07070	22.9
69.68398	31.4
70.06573	7.1
71.94415	5.7
79.05503	37.8
81.07063	74.9
83.08633	16.3
83.27992	6.2
89.06010	17.5
91.05479	63.1
93.07036	72.8
95.04990	17.0
95.08600	55.9
97.06546	18.5
105.04542	9.5
105.07029	82.9
107.08602	45.4
109.06549	11.1
109.10172	23.6
111.08098	7.3
113.09631	11.0
117.07006	20.5
119.08578	75.4
121.10124	39.8
123.08077	32.9
125.09615	9.6
128.06200	13.1
129.07036	19.3
131.08537	30.0
133.08617	19.4
133.10124	38.9
135.08096	30.8
135.11719	19.5
137.09650	19.3
139.11171	10.8
141.07013	7.3
142.07755	12.9
143.08575	32.8
144.09364	6.9
145.06479	15.1
145.10135	67.9
147.04436	9.2
147.08029	35.2
147.11646	10.5
149.09613	13.0
151.07571	13.6
155.08534	12.1
156.09312	9.9
157.10114	53.7
158.10905	8.8
159.08087	16.7
159.11688	37.2
160.08844	57.1
161.09621	7.2
161.13289	10.5
163.11200	25.1
165.09132	62.1
167.08601	6.7
169.10150	13.2
171.11687	24.6
173.09616	13.5
173.13292	11.3
175.11224	21.5
175.14868	8.9
181.10274	12.2
181.12234	29.0
183.11676	22.6
185.13281	19.4
187.11230	8.6
191.10899	7.2
193.10052	9.0
193.12338	8.8
195.11732	19.3
195.13823	7.4
196.12486	9.1
197.13269	13.5
199.11197	7.6
201.12788	8.1
203.14354	22.8
207.11943	12.5
207.13747	10.9
208.14551	13.1
209.13278	21.1
211.14804	12.0
219.13826	11.0
221.13318	13.5
221.15344	100.0
223.14737	6.6
234.16171	23.2
235.14735	9.7
237.16364	8.9
247.16925	18.2
274.19397	9.9
283.26334	21.6
286.19379	14.2
287.20004	12.5
299.20007	12.5
312.20795	8.7
313.21463	7.3
325.21521	13.0
340.24097	11.6
344.31265	8.5
352.23929	34.6
353.24396	6.7
365.24783	10.1
419.29523	8.9
440.29276	39.8
520.35406	18.1
600.41455	25.0
600.56592	31.0
601.41608	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
53.03944	5.0
55.05523	12.8
57.07078	13.8
59.05010	4.3
65.03944	5.3
67.05507	30.3
69.00756	19.7
69.03437	16.8
69.07069	16.1
71.04980	2.6
77.03925	2.1
79.05492	38.2
79.05906	3.1
80.06284	3.0
81.03434	1.9
81.07062	39.9
83.04980	13.9
83.08621	8.3
85.06557	7.6
89.06044	7.9
91.05484	59.2
93.07050	73.0
95.04983	17.4
95.08601	35.7
97.06524	10.5
97.10207	2.5
103.05477	4.5
105.04537	2.8
105.07035	100.0
106.07879	1.9
107.04980	5.2
107.08598	52.9
108.05738	2.5
109.06525	23.1
109.10172	17.6
109.28690	1.9
111.04485	2.1
111.08089	4.9
115.05451	5.7
116.06260	4.0
117.07022	25.5
119.04955	3.8
119.08591	85.3
119.09449	4.3
120.09476	2.3
121.06532	14.0
121.10146	51.5
121.82537	2.1
121.83412	1.8
123.08070	29.5
123.11687	4.9
125.05986	4.3
125.09663	7.7
128.06207	17.7
129.07010	27.4
130.07796	9.3
131.08568	48.7
131.09486	3.0
132.09309	4.1
133.06546	9.8
133.07510	2.1
133.08604	3.5
133.10141	41.1
135.08057	29.0
135.11670	14.7
137.05991	2.5
137.09654	13.8
139.07623	3.7
141.06956	10.8
142.07771	28.7
143.08562	53.8
144.09367	15.4
145.06529	4.0
145.10129	65.0
146.07289	3.4
146.10753	2.2
147.08066	33.0
147.11665	14.1
148.08797	3.6
149.09619	22.3
151.07542	19.1
151.11240	3.1
153.07071	5.5
153.09010	2.2
154.07840	4.6
155.06073	2.0
155.08562	16.4
156.09334	18.3
157.06551	3.1
157.10130	74.2
158.10927	10.7
159.08049	18.8
159.11694	39.1
160.08841	3.0
161.09627	25.4
161.13239	9.0
163.07558	3.1
163.11194	20.0
163.14864	2.0
165.06967	4.9
165.09123	48.7
165.10472	3.4
166.07765	2.5
166.09555	2.2
167.08644	10.2
167.10709	14.7
168.09369	7.3
169.10146	28.3
170.10957	12.5
171.08066	5.7
171.11682	34.8
172.08859	3.0
172.12445	9.4
173.09628	11.1
173.13226	15.0
174.10493	3.8
175.11189	26.3
175.14856	5.4
177.09029	2.2
177.12723	4.6
178.07901	2.3
178.09958	2.6
179.08578	10.1
179.10706	5.2
180.09361	5.2
180.11574	2.7
181.08626	3.5
181.10091	15.0
181.12224	11.2
182.10905	9.5
183.11691	28.7
184.12503	5.2
185.09691	8.7
185.13272	23.6
186.10483	3.1
187.11180	11.8
187.14796	5.7
189.12738	13.6
190.13567	11.4
191.10707	3.4
191.14311	4.8
192.09361	6.1
192.11160	2.0
193.10158	13.8
193.12244	10.3
194.10912	11.4
195.11684	22.9
195.13460	3.4
196.12486	10.0
197.09604	5.3
197.13289	18.5
198.13911	3.1
199.11160	7.3
199.14844	9.2
200.12001	2.5
201.12796	8.0
203.14340	28.2
204.09334	2.2
204.14752	2.6
204.55490	2.2
205.10156	6.1
206.10901	4.9
207.11707	14.6
207.13852	15.3
208.12469	8.2
208.14565	6.5
209.13292	18.4
209.15210	4.6
210.10287	2.2
210.13940	4.5
211.11230	8.3
211.14796	12.8
212.11989	2.6
212.15479	3.7
213.12750	11.8
213.16377	4.4
214.13501	2.6
215.14241	2.8
216.15060	2.0
217.10269	3.3
218.11024	3.3
219.11668	5.7
219.13846	6.4
220.12590	5.0
221.09473	2.0
221.13275	14.2
221.15329	81.6
221.17519	4.0
222.13988	4.3
222.15915	2.7
223.14825	11.3
224.15776	2.5
225.12889	10.1
225.16405	9.2
227.14325	4.2
229.12274	2.4
229.15878	3.2
230.13094	2.8
231.11676	3.5
232.12447	2.9
233.13217	6.7
233.15413	20.9
234.14085	3.7
234.16112	11.9
235.14931	9.6
235.16890	3.7
237.12685	4.9
237.14722	33.2
238.13359	2.7
239.14339	5.2
239.18015	3.0
241.15898	3.8
243.11652	3.5
245.13181	3.0
246.13965	3.3
247.14833	5.6
247.17000	10.0
248.13962	12.2
249.16364	7.0
251.14310	4.2
251.18225	2.9
253.15936	8.0
255.17450	22.2
257.15436	2.4
259.14639	4.5
261.16412	7.6
263.17999	6.7
267.17331	3.8
268.18243	4.0
269.18939	3.4
270.19760	5.4
271.17056	8.3
273.18628	3.9
274.19327	14.1
275.17953	3.1
277.19479	4.2
279.17496	7.2
281.15668	2.5
281.18924	5.9
285.18564	5.4
286.19324	13.4
287.20184	11.3
289.18726	2.1
291.17740	2.3
294.19867	6.5
295.17346	2.1
295.20654	3.7
297.18567	5.1
298.19348	2.8
299.20276	10.4
303.19571	54.1
307.20126	2.6
309.18539	2.6
310.19507	2.8
311.20004	2.6
312.20612	3.9
313.21600	14.8
319.20642	4.3
322.22931	3.1
325.21619	19.1
337.21707	11.2
341.22696	2.5
347.23764	4.4
352.23978	86.5
353.24268	3.8
359.23724	2.4
365.24765	22.3
374.26056	2.3
377.24579	5.8
378.25754	2.5
379.46744	1.9
383.25897	6.5
420.30432	3.2
477.34122	2.3
487.32031	3.1
493.32700	2.2
502.34366	11.7
503.35287	9.9
505.33337	5.2
507.34702	12.2
508.35196	3.9
520.35480	40.0
521.36176	4.1
567.38068	2.9
583.41223	2.3
585.39575	3.2
600.41870	14.2
601.36023	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.05508	16.7
55.56015	2.1
57.07079	13.4
59.05021	5.8
65.03936	4.3
65.85680	2.5
67.05509	33.6
69.00423	2.6
69.00758	23.3
69.03423	18.7
69.07060	17.9
70.06593	4.5
79.05498	37.0
81.07059	42.8
83.04971	18.2
83.08640	4.9
85.06551	8.9
85.13142	2.4
87.04484	3.1
89.06045	8.9
91.05485	51.5
93.07043	65.7
95.04980	24.5
95.08601	35.7
97.06521	7.1
97.10134	3.0
98.22647	5.1
103.05470	3.3
105.07030	89.3
107.04967	2.8
107.08595	56.0
108.09392	2.9
109.06525	21.9
109.10162	15.1
111.08078	4.8
113.09669	2.7
114.92287	2.1
115.05481	9.0
116.06306	2.8
116.07095	7.8
117.07024	19.9
119.05070	2.1
119.08586	91.4
120.09423	2.7
121.06506	18.4
121.10146	53.2
122.07263	3.3
123.08077	31.1
123.11784	3.7
125.06010	6.5
125.09644	7.1
128.06209	13.5
129.07022	21.8
130.07803	11.6
131.08565	46.8
132.09314	3.6
133.06503	10.9
133.08601	6.0
133.10135	49.8
135.08049	21.2
135.11690	15.0
137.05986	4.7
137.09621	18.6
139.07542	3.0
141.06946	12.6
142.07761	29.0
143.08557	51.5
144.09378	13.2
145.06502	5.7
145.10129	62.7
146.10632	2.8
147.08044	42.9
147.11713	16.4
149.09604	22.1
151.07509	20.4
151.11227	5.0
153.06990	3.9
153.09125	2.8
154.07687	4.3
155.08556	19.2
156.09340	24.5
157.10130	80.2
158.10919	12.8
159.08090	20.3
159.11694	36.1
160.08873	4.9
160.18968	2.6
161.09641	20.1
161.13289	9.5
162.10411	3.9
163.11179	19.2
165.06958	6.8
165.09102	50.5
167.08572	8.3
167.10706	12.5
168.09409	6.6
169.10114	29.6
170.10884	14.5
171.08044	7.0
171.11700	39.7
172.08777	2.7
172.12440	8.9
173.09639	15.3
173.13264	14.9
174.10397	4.0
175.11201	31.0
175.14795	5.2
177.09114	3.8
177.12791	4.9
179.08543	11.7
179.10597	5.3
180.09366	7.4
180.11584	4.4
181.10085	16.8
181.12267	12.3
182.10944	10.8
183.11713	26.9
185.09709	5.2
185.13269	26.9
186.10402	4.3
186.13992	6.8
187.11211	10.7
187.14835	6.4
188.12007	5.5
189.12773	15.5
190.13571	16.6
191.10674	6.7
191.14420	5.6
192.09369	4.0
193.10307	12.0
193.12195	13.7
193.13914	2.3
194.10944	5.7
195.11736	21.1
195.13504	4.1
196.12473	5.4
197.09724	6.0
197.11678	5.4
197.13231	21.2
198.10330	4.4
199.11310	11.0
199.14810	7.3
201.12761	8.4
203.14297	31.8
206.10866	8.2
206.12842	2.5
207.11700	19.1
207.13850	14.2
208.12645	4.5
208.14642	7.5
209.13281	20.8
209.15216	5.8
210.10486	2.8
210.13974	4.3
211.11198	9.0
211.14713	11.7
212.12006	3.2
213.12769	10.2
213.16492	4.9
215.10797	3.1
215.14381	4.9
218.10918	3.6
219.11713	6.1
219.13838	9.6
220.12576	8.0
221.13266	15.5
221.15332	93.0
222.13936	2.9
222.15875	4.1
223.11092	3.9
223.14847	16.8
225.12772	10.6
225.16394	6.5
227.14372	4.7
229.15738	3.7
230.12987	4.3
231.11685	3.5
231.13841	2.6
232.12454	3.4
233.13263	7.5
233.15404	25.1
234.14023	4.8
234.16112	11.2
235.14995	12.1
235.16908	4.6
236.15738	3.3
237.12709	5.9
237.14676	37.6
239.14233	5.3
241.15889	6.9
245.13329	5.1
246.13960	4.8
247.14870	4.8
247.16991	8.8
248.13919	13.6
249.12729	3.7
249.16362	8.7
250.15759	2.9
251.14378	2.4
253.15869	8.9
255.17522	25.4
257.13290	3.0
259.14743	3.6
259.17029	2.8
261.16357	8.6
263.18185	3.5
267.17468	5.3
268.18066	3.3
269.19113	4.8
270.19879	7.7
271.16959	7.9
273.18701	3.8
274.19302	16.9
277.15799	2.6
279.17462	6.7
281.18906	5.4
285.18518	9.5
286.19418	17.2
287.20007	10.4
293.18976	2.8
294.19843	9.8
295.17215	3.0
295.20456	5.1
297.18457	6.4
297.21878	2.3
299.20172	16.4
303.19516	54.6
304.20016	2.8
305.18808	3.1
309.18539	4.0
310.19510	3.2
311.20294	5.0
312.20886	7.6
313.21658	16.7
319.20602	4.9
322.22729	2.6
323.20245	3.2
325.21643	13.5
337.21487	12.8
351.23230	3.3
352.23969	100.0
353.24402	5.8
363.22833	3.2
365.24771	19.4
374.26224	3.0
377.24637	4.3
378.25113	2.4
383.25790	5.1
420.30283	4.1
439.28458	4.4
487.32242	3.6
502.34506	10.7
503.34903	8.8
505.32852	7.4
507.34531	11.2
508.34390	3.0
513.60236	2.4
520.35486	38.0
521.35303	3.8
567.38141	3.4
582.40521	3.5
585.39343	6.5
600.42029	14.5
601.36847	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.1
55.05516	19.3
57.07079	17.0
59.04994	7.7
63.19696	4.6
64.63702	4.8
67.05509	37.9
69.03452	11.9
69.07070	22.1
73.41299	4.7
74.35110	4.7
79.05501	21.2
81.07058	44.4
83.04986	20.6
83.08617	11.8
89.06042	23.8
91.05486	38.7
93.07040	69.3
94.68381	5.7
95.04983	27.2
95.08623	49.2
97.06541	12.2
98.23370	12.3
105.07034	79.0
107.08595	52.9
109.06519	15.9
109.10175	20.9
111.08067	6.9
115.05465	5.7
117.07035	18.7
119.08592	75.9
121.06512	19.0
121.10142	44.0
123.08086	34.2
123.11734	5.7
125.09661	5.3
128.06224	15.7
129.07005	21.8
130.07822	7.9
131.08580	43.0
133.06575	6.9
133.08603	10.9
133.10129	43.7
135.08083	20.5
135.11670	13.1
137.09636	14.5
139.55106	4.9
141.06984	14.0
142.07774	24.3
143.08594	37.3
144.09346	20.7
145.06430	6.7
145.10155	68.7
147.08051	32.4
147.09058	5.6
147.11723	14.9
149.09651	20.2
149.47269	4.8
151.07536	18.3
153.09105	6.7
155.08565	18.6
156.09337	20.7
157.10123	70.1
158.10907	7.0
159.08102	9.9
159.11690	37.6
161.09651	23.3
161.13307	8.6
163.11237	21.5
165.09146	45.1
167.10698	21.2
168.09363	10.0
169.10110	25.6
170.10936	8.5
171.08087	6.0
171.11688	34.9
172.12431	6.8
173.09694	12.9
173.13226	8.1
175.11246	21.8
177.11322	6.0
179.08598	12.3
179.10757	7.0
180.09344	5.6
180.11519	5.8
181.10190	10.2
181.12230	22.7
182.10922	7.1
183.11737	21.4
184.12512	6.9
185.13229	24.6
187.11206	9.6
187.14822	7.2
189.12778	17.6
190.13525	9.9
193.10257	9.8
193.12131	10.2
195.11717	25.0
196.12430	5.5
197.09601	7.6
197.13286	28.2
198.13866	5.1
199.11174	14.9
199.14877	8.7
200.18005	5.8
201.12874	8.6
203.14308	30.1
207.11731	15.0
207.13843	18.2
208.12488	7.2
208.14481	6.2
209.13254	23.9
209.15125	5.3
211.11125	11.3
211.14854	15.6
213.12823	16.5
215.14363	11.2
219.11873	6.7
219.13757	8.4
221.13335	12.9
221.15349	97.1
222.15857	6.5
223.14879	6.4
225.12788	8.0
225.16481	8.9
227.14302	6.5
233.13176	10.3
233.15402	19.8
234.16174	17.7
235.14761	6.5
237.12743	8.5
237.14886	38.3
247.17053	14.4
248.14014	13.3
249.16217	7.3
253.15785	10.9
255.17432	18.2
259.17050	6.4
261.16510	6.7
263.18121	6.2
267.17471	6.9
270.19861	6.9
273.16238	7.3
274.19363	19.3
281.19037	10.2
285.18683	10.7
286.19260	18.7
287.20166	15.4
294.19754	6.9
295.20477	6.0
299.20105	19.2
303.19556	63.1
312.20987	8.4
313.21661	17.5
325.21771	29.8
337.21866	9.9
352.24039	100.0
365.24838	44.5
377.24905	9.1
502.34576	12.2
503.35648	10.0
507.34790	22.3
520.35468	44.4
521.36279	7.8
559.23962	5.8
582.40356	6.1
600.41003	19.1
600.49768	12.7
601.37122	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	600.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72530	7.1
51.15250	8.0
55.05507	37.0
57.07066	9.2
58.80841	9.0
59.04272	7.6
67.05503	86.4
69.02508	39.8
69.02933	43.5
69.07058	48.4
71.04998	20.7
75.08910	9.4
79.05502	37.0
81.07058	100.0
83.08605	21.5
89.06041	26.1
91.05478	27.5
93.07045	33.9
95.08592	48.6
97.06551	9.4
97.10129	16.9
105.07035	15.0
107.08611	19.4
109.10158	15.2
112.57362	7.1
121.10169	11.9
123.11683	17.6
133.08612	13.6
133.10100	21.7
149.13261	13.4
187.13397	9.9
214.24315	8.8
247.39648	8.1
293.74911	9.0
301.20078	12.2
339.28925	17.1
348.02191	7.7
507.40402	89.0
565.44409	36.2
599.63837	8.2
600.50061	27.2
601.50940	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	601.1188
Annotation	Kaempferol 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
52.33125	0.1
54.22167	0.1
65.88517	0.1
68.99809	0.2
69.03433	1.9
70.30447	0.1
70.55655	0.2
79.01859	0.5
81.03416	0.2
97.02882	0.4
107.01360	0.2
109.02885	0.3
115.05444	0.3
121.02888	0.3
123.04420	0.2
125.02356	0.4
127.03931	0.9
129.07083	0.1
137.02361	2.2
137.03418	0.2
139.05396	0.1
141.07013	0.1
143.03400	0.9
143.04959	0.1
145.06470	0.1
147.04433	0.4
149.02409	0.6
153.01836	17.5
153.02878	0.8
154.02179	0.4
157.06520	0.5
161.05925	0.4
163.03917	0.4
165.01833	0.3
171.04402	0.2
173.84683	0.1
175.03975	0.4
175.07631	0.1
179.03421	0.3
185.06029	0.7
189.05466	0.4
191.03398	0.4
197.00620	0.1
205.05014	0.2
207.02853	0.2
213.05464	2.1
214.05945	0.1
216.04106	0.2
217.04871	0.1
221.60789	0.2
231.06523	0.7
233.04478	0.2
237.03844	0.3
241.04945	1.1
267.63849	0.1
269.04410	0.4
276.07574	0.1
287.05496	100.0
288.05820	5.4
297.06097	0.6
315.07101	0.8
356.83618	0.1
412.64661	0.1
461.14313	0.1
601.12378	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	601.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89676	0.1
55.01863	0.2
63.85141	0.1
67.72153	0.1
68.99789	0.3
69.03421	0.2
69.29771	0.6
69.30182	0.3
71.01298	0.1
79.44608	0.1
79.59018	0.1
81.03428	0.2
105.07030	0.2
113.46326	0.1
115.05444	0.1
121.02871	0.4
123.04482	0.2
128.06256	0.1
129.07004	0.2
137.01338	0.2
137.02362	2.8
137.03397	0.3
139.03981	0.1
139.05392	0.2
141.06944	0.2
143.04945	0.4
147.04391	0.3
149.02325	0.5
153.01834	2.1
153.03004	0.1
157.06508	0.6
161.06006	0.4
165.01799	0.4
167.04924	0.2
171.04369	0.3
175.03867	0.3
175.07506	0.1
185.05981	0.7
189.05455	0.4
193.05052	0.1
199.03923	0.1
203.03365	0.1
203.07066	0.1
213.05486	2.4
216.04236	0.2
217.04944	0.1
231.06490	0.8
241.04906	1.2
242.05669	0.3
249.11093	0.1
259.06030	0.3
269.04465	0.4
270.05063	0.2
287.05490	100.0
288.05832	4.6
556.75250	0.2
601.12006	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	601.1191
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
51.11991	0.5
53.03954	1.2
57.03445	0.5
58.42483	0.5
65.03944	0.9
68.99792	1.0
69.03436	3.2
70.46766	0.5
71.01363	0.6
71.04999	0.5
71.30668	0.5
79.01854	3.0
81.03419	9.4
82.03703	0.7
85.02922	2.7
91.05500	0.7
97.02901	4.9
99.04456	1.1
107.01317	1.7
109.02888	4.6
111.00828	0.7
111.04446	2.3
115.47968	0.5
116.02126	0.5
121.02877	4.3
121.03655	0.6
121.06518	0.6
123.04430	1.2
125.02353	2.5
127.03920	5.9
129.06947	0.5
131.08620	0.6
137.02351	77.3
137.03403	4.3
138.02698	1.4
139.03949	0.7
143.03398	3.7
145.04980	1.1
145.06491	0.6
147.04437	1.5
149.05972	0.6
151.03952	0.9
153.01834	68.3
154.02184	1.7
155.03401	3.1
159.08028	1.3
160.08426	0.7
161.06006	0.6
161.53786	0.6
165.01871	1.6
171.02895	5.3
177.05452	0.6
187.07574	0.6
189.05399	0.6
189.09172	0.8
196.64398	0.5
201.05528	1.1
205.12503	0.5
209.50630	0.5
213.05492	1.4
219.10057	0.5
224.82581	0.5
229.04965	2.2
231.06407	0.7
249.11218	11.6
250.11540	5.4
257.04501	1.4
259.06290	0.5
281.06503	2.6
285.04010	0.7
287.05499	100.0
288.05862	4.9
297.06070	6.6
299.07657	4.0
300.41003	0.6
303.05008	43.3
304.05365	2.1
315.07126	1.3
345.05682	0.7
467.44107	0.5
601.20404	0.7
601.28497	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	601.1188
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
52.82188	0.8
65.03951	0.7
66.46000	0.7
69.03428	2.8
69.54141	2.5
69.54549	1.5
73.04861	0.7
73.90237	0.8
79.01865	5.4
80.07121	0.7
81.03376	0.7
83.04961	1.3
97.02888	1.9
111.04440	2.0
118.05225	0.8
121.02914	1.2
125.02370	2.5
137.02339	8.2
143.03389	6.5
147.04463	0.7
153.01833	100.0
153.02911	6.3
154.02170	2.2
163.03903	1.1
166.97649	0.8
177.01927	0.8
179.03383	1.1
197.06068	0.8
201.05429	0.8
207.02928	2.3
219.06625	1.6
237.03882	0.9
253.05048	1.1
265.11865	0.7
271.06067	1.6
281.06622	5.8
287.05475	4.6
299.05060	6.2
302.04315	2.0
303.04953	4.0
315.05002	11.9
316.05530	3.3
327.04999	25.5
328.05276	1.2
329.06494	0.9
341.06543	3.3
345.06052	25.9
346.06445	1.6
355.04504	0.7
357.05930	0.7
367.08069	1.6
369.05951	4.8
380.50070	0.8
387.07196	1.3
395.07687	3.4
413.08798	6.3
431.09763	8.0
449.10754	3.2
497.06912	3.2
583.10437	1.1
600.41248	1.5
601.11969	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1189
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02380	0.6
52.29590	0.2
55.01878	0.5
68.99770	0.2
69.03430	10.1
71.30801	0.2
79.01853	3.9
79.05511	0.2
79.56166	0.2
81.03411	0.6
83.01373	0.2
85.02902	0.5
87.23367	0.2
91.05460	0.2
97.02893	2.0
105.03407	0.3
105.06989	0.3
107.01286	0.9
107.04964	0.3
109.02855	1.0
111.00775	0.3
121.02864	1.6
123.04395	0.2
125.02338	2.3
127.03920	4.7
131.04890	0.4
133.02861	0.3
135.04430	0.2
137.02361	1.0
139.03911	0.4
143.03398	5.3
147.04416	0.8
151.03903	0.6
153.01828	100.0
153.02849	4.9
154.02170	2.9
159.04427	0.8
160.20976	0.2
161.05997	0.4
163.03870	1.5
165.01842	0.5
165.05568	0.2
167.07040	1.9
168.07349	0.5
171.02911	1.5
171.04286	0.4
173.87206	0.2
175.03943	0.3
177.05492	0.3
177.51208	0.2
179.03407	1.4
181.01302	0.7
181.04863	0.2
183.02878	0.5
187.03935	0.3
191.03398	2.5
193.04997	0.5
194.47935	0.2
195.02936	0.3
203.03438	0.2
205.04840	1.0
207.02879	1.5
209.04549	0.3
213.05484	0.5
219.02869	0.6
221.04401	0.4
223.02399	0.3
231.06654	0.2
233.04440	1.2
237.03918	2.3
241.04938	0.3
249.03833	0.2
251.05479	0.3
258.05157	0.2
261.03870	0.5
267.04849	0.5
269.04623	0.2
279.04947	0.5
287.05490	31.1
288.05899	1.9
297.06070	3.0
298.06213	0.2
299.05737	0.2
308.39880	0.2
311.05435	0.8
315.07047	4.0
316.07611	0.2
329.06482	1.0
419.74017	0.2
447.48679	0.2
601.28143	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	601.1188
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
51.02382	0.8
56.35426	0.4
57.69487	0.3
67.43484	0.3
69.36842	1.2
69.37244	0.9
79.01859	4.3
83.04969	1.3
91.05477	0.4
97.02885	1.0
105.12016	0.4
107.01311	1.2
109.02908	0.5
111.04413	0.6
121.02882	1.8
121.10149	0.9
123.04433	0.5
125.02334	2.5
127.03928	0.7
137.02393	0.4
139.03926	0.4
143.03412	5.8
153.01833	100.0
153.02856	4.9
154.02191	2.8
229.04890	0.5
287.05502	1.0
299.07599	2.5
303.05029	6.9
319.04550	1.5
327.05252	0.4
376.84137	0.3
389.81680	0.4
533.94592	0.3
601.28693	0.4
619.07983	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	601.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.03933	0.2
59.37421	0.1
63.02354	0.1
65.03941	1.7
67.01847	0.1
69.20911	0.9
81.03423	0.3
91.05484	14.4
92.05825	0.3
109.02877	1.3
119.04947	29.4
120.05272	0.7
127.03908	0.2
147.04413	100.0
148.04738	2.9
177.89128	0.1
229.08635	0.3
273.07529	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	601.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.1
52.35042	0.1
60.34881	0.1
63.02368	0.1
65.03943	1.7
67.01849	0.1
70.47433	0.2
75.09847	0.1
76.53731	0.1
77.75707	0.1
81.03419	0.2
88.09708	0.1
91.05487	13.3
92.05831	0.3
95.69422	0.1
109.02882	1.2
119.04951	27.6
120.05288	0.7
127.03931	0.3
147.04417	100.0
148.04753	3.1
214.02406	0.1
229.08549	0.3
256.64008	0.1
258.20721	0.1
273.07538	1.1
277.77905	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	601.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.7
68.48138	0.2
69.13799	0.9
81.03434	0.5
91.05485	15.5
91.87330	0.1
92.05868	0.2
101.44652	0.2
109.02878	1.4
118.04094	0.1
119.04948	30.3
119.29697	0.1
120.05261	1.0
127.03937	0.5
147.04414	100.0
148.04750	2.8
229.08546	0.2
255.06549	0.2
273.07602	0.9
377.15335	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	601.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01648	0.1
62.19344	0.1
62.48643	0.1
65.03941	1.6
68.78677	0.1
70.44822	0.2
70.45161	0.1
81.03429	0.3
87.76876	0.1
91.05484	12.7
92.05814	0.3
108.31940	0.1
108.82218	0.1
109.02882	1.3
112.78088	0.1
119.04948	25.0
120.05273	0.6
127.03937	0.3
144.66307	0.1
147.04413	100.0
148.04744	3.1
164.30507	0.1
171.87421	0.1
179.03389	0.1
205.04837	0.1
229.08667	0.2
273.07602	1.0
435.22824	0.1
545.05615	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	601.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42939	0.2
53.00337	0.2
53.03941	0.2
65.03941	2.0
66.88135	0.2
67.05531	0.2
69.10307	0.2
69.66254	0.3
69.66670	0.6
69.89440	0.2
80.30648	0.2
81.03413	0.3
91.05486	14.6
92.05813	0.5
93.88879	0.2
98.23303	0.3
101.69164	0.2
108.54121	0.2
109.02887	1.2
111.27439	0.2
119.04949	27.5
120.05300	0.6
127.03901	0.3
130.22037	0.2
147.04413	100.0
148.04739	3.4
163.03685	0.2
229.08601	0.3
273.07602	1.0
281.10007	0.2
287.05435	0.7
525.56293	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	601.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.1
54.10604	0.1
65.03941	2.1
65.04288	0.1
67.01861	0.1
72.75987	0.1
75.02360	0.1
79.05521	0.1
81.03434	0.3
91.05484	15.6
92.05805	0.3
97.02876	0.1
98.23418	0.2
100.11314	0.1
109.02126	0.1
109.02877	1.5
119.04947	31.0
120.05262	0.8
123.04440	0.1
125.25235	0.1
127.03921	0.4
147.04411	100.0
148.04749	3.2
151.03897	0.1
153.01836	0.1
167.07037	0.1
192.06290	0.1
229.08685	0.2
255.06349	0.1
273.07574	1.6
287.05505	0.2
601.26611	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	601.3351
Annotation	Dianthin E
Peak:m/z	Relative Intensity
51.88446	0.2
53.32464	0.2
53.37269	0.2
65.49055	0.2
67.05511	0.5
70.22764	0.4
70.23097	0.4
79.05528	0.2
81.03426	0.3
81.07047	0.3
86.99207	0.2
91.05481	0.4
93.07043	0.4
95.08608	0.2
105.07054	0.3
109.57545	0.2
121.06533	0.4
135.60205	0.2
140.53862	0.2
147.04459	0.3
147.90611	0.2
162.25162	0.2
169.04903	0.2
185.03853	0.2
220.33879	0.2
230.81851	0.2
237.45702	0.3
455.28009	0.4
461.28806	0.3
473.28848	3.0
474.29337	0.2
497.27252	0.8
513.31982	0.6
515.33490	2.7
516.33588	0.4
517.31439	2.4
539.30762	0.2
557.30261	1.8
583.32666	0.9
601.33435	100.0
602.33740	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.4
57.03443	0.5
57.07071	1.1
57.45819	0.5
65.03948	0.5
66.53780	0.5
67.05501	5.7
69.03425	1.5
69.07067	2.9
71.04980	1.0
79.05496	4.2
81.07059	8.4
83.04980	1.9
83.08608	3.0
85.06539	1.0
89.06072	0.6
89.24829	0.5
91.04961	0.6
91.05479	5.5
93.07045	7.2
94.07384	0.6
95.04952	2.6
95.08608	4.5
97.06525	3.1
98.22583	1.4
105.07038	7.2
106.07391	0.6
106.51423	0.5
107.08598	6.7
108.08954	0.7
109.06508	1.8
109.10165	2.8
111.08073	0.9
117.07008	2.3
119.08594	7.1
120.08909	1.1
121.06486	1.1
121.10150	6.3
122.10476	0.8
123.08077	2.2
123.11695	1.5
127.41353	0.5
128.06244	0.7
129.07063	1.1
131.08586	3.3
132.21379	0.5
133.10124	3.9
134.10521	0.6
135.08061	1.6
135.11694	2.0
137.09619	1.0
139.87688	0.4
142.07817	1.2
143.08540	2.7
145.10141	4.9
146.10460	1.0
147.08029	2.0
147.11708	1.8
149.09613	1.3
149.13226	1.1
151.07507	2.9
155.08577	0.9
155.10622	0.5
156.09349	0.7
157.10159	3.2
158.10432	1.0
159.11736	3.2
161.09637	0.6
161.13213	0.8
163.11192	1.3
164.11612	0.6
165.09138	3.8
167.10677	1.9
168.10994	0.9
169.10115	1.3
170.10849	0.5
171.11674	2.3
172.12019	0.8
173.13254	1.7
175.11229	0.5
175.14848	0.8
179.08463	0.6
181.10117	1.0
181.12222	1.5
182.10692	0.6
182.12639	0.7
183.11632	1.2
184.11995	0.9
185.13258	0.8
187.14806	1.0
193.10144	0.7
195.11667	1.1
196.12529	0.5
197.13168	1.4
198.13664	0.7
199.14841	1.1
201.16245	0.7
203.14346	1.4
207.13771	0.9
208.12268	0.7
209.13232	1.9
210.13683	0.9
211.14767	0.9
221.13254	1.0
221.15349	9.0
222.15759	0.6
233.15274	1.1
235.13016	1.4
275.20178	0.5
276.77844	0.5
287.19861	0.8
291.15683	1.4
299.19962	0.6
333.20383	9.8
375.26794	0.7
389.22986	6.2
445.66525	0.5
491.34903	0.8
583.41943	2.4
601.36871	100.0
602.37244	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.01875	5.8
55.05516	18.1
55.96441	4.2
57.07076	14.8
65.03948	6.1
67.05518	38.6
69.01649	38.3
69.03445	21.0
69.07066	25.9
71.27299	4.1
79.05504	36.8
81.07070	47.9
83.04991	19.0
83.08621	12.1
85.06552	6.7
91.05501	48.1
93.07046	73.7
93.88890	4.6
95.04978	22.5
95.08604	45.2
97.06547	5.9
98.23376	9.9
103.05473	4.8
105.07043	100.0
106.07394	5.9
107.04989	4.8
107.08606	82.4
108.08964	10.4
109.06538	22.1
109.10162	25.3
111.08141	11.6
115.05431	7.1
117.07014	26.0
119.08591	95.0
120.08907	5.4
121.06513	12.8
121.10151	69.0
122.10519	6.1
123.08094	24.0
123.11694	9.4
125.06019	8.4
125.09676	10.2
128.06233	15.6
128.37726	4.6
129.07007	15.0
130.07809	5.5
131.08601	42.7
132.08893	7.5
133.06516	7.2
133.10156	60.2
134.10481	5.4
135.08029	27.2
135.11734	20.5
136.08383	7.0
137.09645	18.3
141.06961	5.9
142.07814	25.6
143.08592	50.3
144.09341	8.4
145.06543	5.2
145.10130	71.2
146.10510	10.1
147.08076	22.1
147.11693	16.7
148.08635	4.9
149.09665	17.7
151.07527	26.6
152.07863	6.9
155.08572	16.5
156.09349	16.8
157.10149	61.7
158.10629	10.7
159.08086	16.0
159.11739	44.7
160.12032	9.1
161.09657	16.4
161.13301	10.8
162.10042	4.7
163.11203	14.3
165.09102	44.7
166.09492	8.3
167.08652	6.7
167.10635	35.2
168.09283	6.2
169.10143	29.5
170.10744	10.4
171.11687	33.7
172.12230	8.7
173.09613	10.2
173.13283	18.9
174.13634	4.7
175.11194	11.6
175.14870	6.6
176.11546	5.6
177.12747	5.4
179.08588	8.4
180.09349	8.6
181.10176	12.8
181.12267	15.4
182.10858	9.9
183.11722	19.6
184.12263	8.4
185.13249	20.7
186.13570	8.5
189.12767	13.7
191.14268	5.8
193.10162	10.9
194.10834	10.0
195.11739	30.6
195.13329	4.4
196.12221	9.7
197.13286	20.2
198.13686	7.2
201.12872	6.2
201.16325	4.7
202.02321	4.7
203.14346	18.6
204.14754	8.6
206.10988	5.9
207.11681	14.2
207.13750	10.1
208.12476	10.7
209.13234	20.3
209.15129	8.1
210.13808	5.6
211.14813	17.6
213.12761	8.4
215.14307	8.1
217.15956	6.2
219.11655	9.4
221.13239	14.9
221.15359	98.5
222.15776	27.2
223.14824	13.7
225.16382	6.3
227.14366	6.1
233.15419	20.9
234.15944	7.6
235.14732	11.9
237.14755	11.4
238.15099	6.5
238.17253	5.5
241.15988	6.5
241.87119	4.7
251.18079	5.7
255.17465	9.8
261.16418	7.2
269.18991	5.5
271.19894	5.5
274.19193	8.2
280.62939	5.0
285.18918	7.1
286.19287	13.5
287.20071	10.4
300.20721	9.1
303.19574	21.0
304.19836	17.1
312.20471	5.2
313.21597	5.7
325.21570	7.1
337.21613	6.9
352.23953	23.7
353.24350	32.3
365.24796	8.5
366.25159	9.8
367.26346	5.1
379.26749	6.1
421.30792	5.5
503.35095	6.4
506.33896	5.9
508.34769	5.9
520.35339	7.4
521.35754	19.6
583.41162	12.4
601.42462	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.01875	5.8
55.05516	18.1
55.96441	4.2
57.07076	14.8
65.03948	6.1
67.05518	38.6
69.01649	38.3
69.03445	21.0
69.07066	25.9
71.27299	4.1
79.05504	36.8
81.07070	47.9
83.04991	19.0
83.08621	12.1
85.06552	6.7
91.05501	48.1
93.07046	73.7
93.88890	4.6
95.04978	22.5
95.08604	45.2
97.06547	5.9
98.23376	9.9
103.05473	4.8
105.07043	100.0
106.07394	5.9
107.04989	4.8
107.08606	82.4
108.08964	10.4
109.06538	22.1
109.10162	25.3
111.08141	11.6
115.05431	7.1
117.07014	26.0
119.08591	95.0
120.08907	5.4
121.06513	12.8
121.10151	69.0
122.10519	6.1
123.08094	24.0
123.11694	9.4
125.06019	8.4
125.09676	10.2
128.06233	15.6
128.37726	4.6
129.07007	15.0
130.07809	5.5
131.08601	42.7
132.08893	7.5
133.06516	7.2
133.10156	60.2
134.10481	5.4
135.08029	27.2
135.11734	20.5
136.08383	7.0
137.09645	18.3
141.06961	5.9
142.07814	25.6
143.08592	50.3
144.09341	8.4
145.06543	5.2
145.10130	71.2
146.10510	10.1
147.08076	22.1
147.11693	16.7
148.08635	4.9
149.09665	17.7
151.07527	26.6
152.07863	6.9
155.08572	16.5
156.09349	16.8
157.10149	61.7
158.10629	10.7
159.08086	16.0
159.11739	44.7
160.12032	9.1
161.09657	16.4
161.13301	10.8
162.10042	4.7
163.11203	14.3
165.09102	44.7
166.09492	8.3
167.08652	6.7
167.10635	35.2
168.09283	6.2
169.10143	29.5
170.10744	10.4
171.11687	33.7
172.12230	8.7
173.09613	10.2
173.13283	18.9
174.13634	4.7
175.11194	11.6
175.14870	6.6
176.11546	5.6
177.12747	5.4
179.08588	8.4
180.09349	8.6
181.10176	12.8
181.12267	15.4
182.10858	9.9
183.11722	19.6
184.12263	8.4
185.13249	20.7
186.13570	8.5
189.12767	13.7
191.14268	5.8
193.10162	10.9
194.10834	10.0
195.11739	30.6
195.13329	4.4
196.12221	9.7
197.13286	20.2
198.13686	7.2
201.12872	6.2
201.16325	4.7
202.02321	4.7
203.14346	18.6
204.14754	8.6
206.10988	5.9
207.11681	14.2
207.13750	10.1
208.12476	10.7
209.13234	20.3
209.15129	8.1
210.13808	5.6
211.14813	17.6
213.12761	8.4
215.14307	8.1
217.15956	6.2
219.11655	9.4
221.13239	14.9
221.15359	98.5
222.15776	27.2
223.14824	13.7
225.16382	6.3
227.14366	6.1
233.15419	20.9
234.15944	7.6
235.14732	11.9
237.14755	11.4
238.15099	6.5
238.17253	5.5
241.15988	6.5
241.87119	4.7
251.18079	5.7
255.17465	9.8
261.16418	7.2
269.18991	5.5
271.19894	5.5
274.19193	8.2
280.62939	5.0
285.18918	7.1
286.19287	13.5
287.20071	10.4
300.20721	9.1
303.19574	21.0
304.19836	17.1
312.20471	5.2
313.21597	5.7
325.21570	7.1
337.21613	6.9
352.23953	23.7
353.24350	32.3
365.24796	8.5
366.25159	9.8
367.26346	5.1
379.26749	6.1
421.30792	5.5
503.35095	6.4
506.33896	5.9
508.34769	5.9
520.35339	7.4
521.35754	19.6
583.41162	12.4
601.42462	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
53.26459	1.2
54.03064	1.2
55.05506	5.3
57.07081	7.4
59.05006	1.7
62.79252	1.6
67.05499	10.0
69.03436	7.6
69.07072	6.3
70.56097	3.1
70.56437	1.9
79.05484	11.6
81.03406	1.6
81.07059	20.5
83.04982	3.4
83.08615	2.2
85.06573	3.1
91.05489	24.1
93.07047	37.1
94.07375	1.5
95.04991	5.8
95.08616	19.9
97.06519	3.4
105.07037	34.8
105.91973	1.4
107.08597	25.0
108.05679	1.4
109.06512	10.1
109.10148	9.9
111.08079	2.8
115.05480	2.0
117.07038	6.7
119.08583	40.3
121.06514	5.2
121.10134	19.5
123.08058	18.4
123.11707	3.1
125.06019	4.7
128.06255	4.2
129.07005	5.6
130.07771	2.7
131.08578	16.6
133.06520	1.9
133.10139	23.6
135.08052	12.1
135.11702	7.2
136.69821	1.7
137.06046	1.6
137.09625	14.8
141.06950	3.0
142.07805	9.5
143.08557	17.3
144.09331	3.2
145.10118	27.0
147.08055	24.5
147.11667	6.4
148.08540	1.8
149.09642	6.1
151.07526	12.9
153.06888	2.1
153.09077	1.7
155.08513	6.6
156.09355	4.5
157.10126	18.8
158.10622	2.2
159.08087	4.1
159.11731	15.5
161.09674	5.1
161.13245	8.1
163.11212	7.4
165.07048	2.1
165.09119	47.6
166.09557	2.7
167.08640	1.6
168.09308	3.4
169.10112	10.2
170.10847	4.4
171.11742	11.0
173.09665	3.0
173.13245	7.5
174.13568	1.5
175.11160	3.7
175.14822	5.6
177.09161	2.4
179.08592	2.4
179.10750	1.7
180.09334	2.3
181.10164	4.1
181.12259	10.0
183.11674	7.6
185.13266	9.0
187.11183	3.0
187.14807	6.0
189.12752	4.3
191.14326	2.7
193.10187	2.7
195.11719	7.7
196.12399	2.2
197.13228	8.8
199.11340	1.6
199.14816	2.9
201.12840	2.7
203.14320	21.3
207.11816	3.8
207.13829	9.0
208.12514	1.6
209.13239	6.7
209.15353	3.6
211.11223	2.1
211.14818	4.0
213.12749	1.5
213.16309	2.0
221.13370	4.1
221.15355	100.0
222.13832	1.8
222.15692	8.0
223.14822	5.3
225.16373	1.9
227.14348	2.6
233.13300	1.8
233.15471	1.9
235.14796	3.1
236.15298	1.5
237.16470	1.9
239.14250	1.6
247.17093	4.0
248.17290	1.9
249.16260	1.8
255.92500	1.6
257.55545	1.4
265.19547	2.1
271.20520	1.4
277.19379	1.8
283.20654	1.7
286.19336	3.4
287.20160	4.4
297.22073	2.0
299.20172	2.3
300.20700	4.6
301.21564	4.4
312.20740	1.5
313.21613	1.8
338.21979	1.5
352.24136	2.8
353.24188	3.2
365.24316	1.7
367.26416	8.0
375.26910	3.1
393.27783	3.9
403.30255	1.8
441.29367	1.8
491.35117	10.5
509.36035	5.4
521.36060	6.4
583.41650	10.6
584.42676	2.2
601.42621	30.1
602.42566	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00781	1.2
53.03957	3.4
55.05517	6.2
57.07084	6.9
59.05008	2.9
61.06300	1.1
63.49537	1.0
65.03947	1.3
67.05508	11.8
69.03452	7.5
69.07081	4.4
79.05487	13.5
79.05837	1.1
81.03414	1.8
81.07068	16.2
83.04993	2.5
83.08625	2.7
85.06564	2.8
91.05482	19.7
91.14013	1.4
93.07051	30.6
95.04968	8.3
95.08627	20.1
97.06537	2.5
103.05431	2.0
105.04544	1.5
105.07040	32.1
106.07329	1.7
107.08607	17.8
109.06505	8.9
109.10166	10.3
111.08114	3.1
112.39625	1.4
115.05505	1.5
117.07039	9.1
119.08594	39.7
121.06518	5.6
121.10159	17.2
123.08076	13.7
123.11724	3.2
125.06017	3.1
125.09603	1.6
127.11115	1.5
128.06230	2.6
129.07011	6.6
130.07817	2.5
131.08568	13.2
133.06447	1.9
133.10139	19.1
134.10448	1.5
135.08047	11.4
135.11707	7.8
137.09660	11.5
137.13324	1.4
138.09999	1.7
141.07039	2.0
142.07773	7.2
143.08583	12.7
144.09334	4.3
145.10141	27.2
146.10497	1.5
147.08061	20.6
147.11691	6.3
148.08492	1.7
149.09685	3.2
151.07558	14.1
153.09100	1.4
154.07838	1.5
155.08633	5.3
156.09381	5.6
157.10153	18.7
158.10870	2.4
159.08148	2.0
159.11694	18.3
160.12247	1.2
161.09663	5.6
161.13268	6.6
163.11191	8.9
165.07057	1.8
165.09135	47.5
166.09492	4.0
167.08652	2.5
168.09348	2.3
169.10164	9.1
170.10933	2.9
171.11678	12.7
172.12497	1.6
173.09694	3.2
173.13301	5.6
175.11212	3.3
175.14925	4.1
176.11551	1.4
177.09172	1.7
177.12755	2.0
179.08632	2.5
180.09265	1.8
180.11629	1.4
181.10110	3.4
181.12254	8.5
182.10986	3.4
182.12625	1.7
183.11696	7.5
184.12219	1.7
185.09613	1.3
185.13281	6.8
187.11203	2.4
187.14853	4.3
189.12831	3.0
190.13448	2.1
191.14270	3.2
193.10150	4.4
193.12212	2.9
194.11002	2.4
195.11716	5.8
195.13609	1.6
196.12520	1.6
197.13239	6.0
198.13771	1.6
199.14865	2.6
201.12724	1.5
203.14331	15.8
204.14642	1.7
206.10759	1.5
207.11780	3.1
207.13802	5.7
208.12469	3.2
208.14391	1.9
209.13290	6.7
209.15256	2.5
210.14107	1.3
211.14803	3.6
213.12717	1.6
213.16365	2.0
215.14438	1.6
217.15845	1.4
219.11784	1.5
221.13397	3.8
221.15369	100.0
222.13971	1.4
222.15790	10.9
224.15251	1.8
225.12578	1.6
225.16414	2.9
227.14293	2.5
228.99220	1.6
231.13818	1.4
233.13245	2.5
233.15359	1.7
234.16139	2.7
237.16434	2.3
239.17943	3.1
247.17024	4.1
248.17389	2.1
249.16495	1.6
253.19855	1.4
261.16324	2.4
265.19598	2.4
275.20013	2.0
283.20694	1.9
285.18460	3.2
286.19299	2.8
287.20096	5.5
298.22333	1.5
299.20001	4.1
300.20828	4.9
301.21558	4.8
311.20059	1.6
312.20776	2.1
313.21573	3.2
340.23923	3.1
341.24207	1.6
352.23767	3.3
353.24265	2.9
365.24615	1.9
367.26312	5.6
370.82852	1.3
393.27969	2.3
420.30026	1.7
421.30930	1.7
427.28317	2.4
428.28720	2.0
440.29318	3.0
441.29675	6.0
491.34930	7.3
509.36154	4.3
521.35999	5.2
583.41309	10.8
601.42236	34.5
602.42334	4.6
608.14307	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30955	3.7
53.03951	4.7
55.01854	5.4
55.05511	19.6
57.03443	6.6
57.07077	17.4
67.05511	37.6
69.03435	7.0
69.07082	15.8
71.08644	5.5
71.11588	4.1
79.05497	26.3
81.03440	13.6
81.07063	43.0
83.04965	7.4
83.08614	9.5
85.06565	6.5
91.05470	35.4
93.07054	49.1
95.04979	13.1
95.08623	38.6
97.06541	5.9
97.10164	4.8
98.22547	7.2
103.05494	4.9
105.07030	46.0
107.04929	4.8
107.08612	28.9
109.06544	15.3
109.10162	22.5
115.05503	5.3
117.07043	8.8
119.08577	50.9
121.06547	6.4
121.10146	41.8
123.08089	22.4
123.11748	9.3
125.06029	7.5
129.07007	11.6
131.08580	23.6
133.06544	5.3
133.10167	25.2
135.08076	18.0
135.11702	11.1
137.09647	16.5
142.07780	4.8
143.08562	19.9
144.09357	6.4
145.10139	30.4
147.08057	29.9
147.11713	10.5
149.09669	9.8
151.07603	14.8
155.08585	8.0
156.09354	5.8
157.10124	25.2
158.10750	3.7
159.07991	6.8
159.11699	20.9
160.12062	6.0
161.09561	7.2
161.13258	6.3
163.11194	13.3
165.09132	59.9
169.10210	9.0
170.10947	5.7
171.11664	13.7
173.13301	8.8
175.11171	4.8
175.14893	6.7
181.12248	12.3
183.11737	12.9
185.13225	7.8
187.11235	6.3
187.14909	7.8
189.12685	5.9
193.12245	8.2
195.11781	9.1
197.09732	4.1
197.13206	5.7
203.14391	19.4
207.11755	4.4
207.13800	7.8
209.13257	7.3
209.15248	4.1
221.15381	100.0
222.15720	14.7
234.16255	5.3
247.17107	7.9
267.15933	11.6
271.17319	5.0
272.14197	4.6
281.30490	3.9
299.20047	5.2
313.21289	7.3
339.28909	12.6
353.24374	4.4
367.26474	8.8
375.73434	4.5
441.29651	11.1
491.35306	12.0
492.35535	4.8
503.37430	6.7
521.35803	8.8
531.40240	8.2
583.41058	11.6
601.33533	26.8
601.43475	34.0
601.51678	7.4
602.43811	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.3
55.01883	1.5
55.05519	10.0
56.50176	1.1
57.07078	12.0
59.04996	3.4
61.26624	1.2
61.83049	1.2
65.03936	1.5
67.05508	15.8
69.03429	11.0
69.07076	7.3
77.03932	1.5
79.05503	18.7
81.07065	28.8
83.04997	5.9
83.08646	3.2
85.06564	3.7
91.05489	33.6
92.05811	2.5
93.07048	43.3
94.07380	1.7
95.04977	10.3
95.08616	27.1
96.08935	1.6
97.06527	5.0
97.10192	1.5
98.23465	2.4
103.05464	2.6
105.04589	1.9
105.07043	50.1
106.07382	3.6
107.04965	2.2
107.08609	25.5
109.06529	15.5
109.10171	12.4
111.08080	2.3
115.05508	2.7
117.07034	11.0
119.08590	54.7
120.08929	4.0
121.03339	1.3
121.06520	6.2
121.10160	26.3
122.10497	2.0
123.08075	19.7
123.11729	3.7
125.05997	6.5
128.06259	5.2
129.07011	10.6
130.07797	4.3
131.08575	24.4
133.06516	2.4
133.10146	24.6
134.10524	2.2
135.08058	14.3
135.11703	11.2
137.09624	15.1
137.13263	1.6
139.07555	2.6
141.07002	3.0
142.07806	10.3
143.08597	16.8
144.09352	6.4
145.06505	1.8
145.10138	37.9
145.11278	2.4
146.10519	5.1
147.08058	29.5
147.11725	8.4
148.08441	3.9
149.09627	7.5
151.07555	16.1
151.11172	2.2
154.07829	1.4
155.08521	7.8
156.09383	10.0
157.10127	25.4
158.10657	5.8
159.08083	2.8
159.11699	20.2
160.08818	2.3
160.12149	2.6
161.09639	8.1
161.13277	6.8
163.11176	12.3
165.07042	2.5
165.09128	54.3
166.08047	1.5
166.09435	6.2
167.08577	4.7
168.09410	3.3
169.10129	13.0
169.96539	1.3
170.10878	4.7
171.11699	12.3
172.12370	2.8
173.09653	4.7
173.13275	7.9
175.11232	6.9
175.14816	6.5
176.11574	2.5
177.09195	2.0
179.08566	2.2
179.14421	1.6
180.09344	4.2
181.10062	6.9
181.12241	11.2
182.10854	3.3
183.11708	11.1
185.09686	2.3
185.13255	9.8
186.10414	1.5
187.11214	4.2
187.14833	5.9
188.11737	1.3
189.12816	8.2
190.13251	3.2
191.10760	2.7
191.14297	3.4
192.11058	1.5
193.10191	6.0
193.12245	4.2
194.10992	2.1
195.11723	10.3
195.13527	2.1
196.12367	3.7
197.09679	1.6
197.13333	7.9
198.13628	1.6
199.11285	2.5
199.14850	2.5
201.12749	2.9
201.16449	1.8
203.14322	20.8
204.09364	1.5
204.14706	1.8
206.10916	2.0
207.11690	5.8
207.13849	7.4
208.14519	1.8
209.13249	6.3
209.15260	2.6
210.14050	1.8
211.11247	2.3
211.14879	5.5
213.12796	1.6
213.16420	2.1
215.14259	1.8
219.11646	2.9
219.13658	2.1
220.12399	1.7
221.13385	4.3
221.15370	100.0
222.13870	2.2
222.15762	12.3
223.14832	5.2
224.15390	1.5
225.16476	4.2
227.14212	2.4
229.15916	2.2
234.16188	3.5
235.14880	4.6
235.16866	1.7
237.12666	1.4
245.15491	1.7
246.13956	2.1
247.14771	2.5
247.16946	7.3
248.17433	2.1
249.16489	2.1
250.16885	1.5
251.17937	2.0
263.18161	2.1
265.19446	1.5
274.19229	1.9
283.20578	1.6
285.18738	2.2
286.19391	3.5
287.20267	6.2
288.20367	2.5
293.19043	1.4
299.20181	4.6
300.20743	6.0
301.21616	5.4
312.20746	1.8
313.21490	3.0
325.21548	1.6
326.21976	1.6
339.22897	1.4
340.24066	2.4
341.24234	2.9
341.44510	1.4
349.25101	2.0
352.23999	2.3
353.24347	4.9
365.25043	1.8
366.25562	1.7
367.26425	6.1
367.71570	1.5
393.27823	3.6
403.29953	1.8
426.27515	2.4
427.28128	1.7
428.28336	2.2
440.29211	4.1
441.29919	6.7
491.35318	9.8
509.36127	5.6
521.35852	7.0
583.41333	12.7
601.42371	27.9
602.42603	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20270	5.8
55.05511	20.4
57.07079	23.7
59.04998	5.1
65.03928	6.6
67.05509	34.4
69.03428	14.0
69.07072	18.6
70.57969	6.9
70.58301	12.6
71.08636	5.8
79.05492	41.4
81.07062	51.7
83.04966	15.0
83.08627	17.9
85.06543	10.7
89.06040	23.5
91.05479	66.4
93.07053	96.8
95.04980	21.5
95.08614	50.2
97.06534	19.3
105.07033	90.7
106.07342	6.7
107.04976	5.8
107.08602	80.2
108.08948	8.1
109.06513	19.6
109.10160	39.5
111.08065	11.7
113.09641	5.6
115.05451	6.2
117.07037	20.9
119.04957	11.0
119.08580	92.7
120.08948	6.7
121.06512	12.9
121.10155	79.0
123.08061	31.6
123.11756	6.7
125.09620	12.6
128.06255	16.7
129.06998	21.7
130.07799	6.8
131.08577	55.8
133.08598	17.7
133.10135	65.7
134.09045	4.9
134.10403	5.4
135.08080	21.3
135.11737	28.7
137.09625	22.5
141.07013	13.0
142.07782	21.7
143.08586	42.7
144.09285	13.0
145.10130	86.0
146.10576	10.4
147.04391	27.6
147.08060	24.2
147.11703	22.3
149.09604	26.4
151.07590	9.5
155.08592	11.7
155.10704	10.3
156.09341	19.8
157.10133	68.9
158.10703	8.7
159.08046	14.7
159.11682	40.3
161.09644	11.4
161.13310	11.8
163.11119	13.8
165.09131	42.9
167.10681	37.7
169.10143	30.5
170.10867	9.0
171.11717	45.9
172.12231	6.6
173.09679	6.8
173.13260	24.4
175.11230	14.3
175.14833	12.5
177.11261	8.3
179.08487	9.6
181.10091	20.7
181.12233	11.5
182.10828	10.1
183.11719	33.2
184.12231	6.8
185.09605	5.2
185.13260	21.8
187.14824	16.3
189.12727	8.9
191.14223	8.6
194.10851	12.6
195.11630	22.3
196.12425	9.6
197.13271	26.1
199.11302	8.8
199.14806	13.8
201.16373	8.5
203.14278	17.9
207.11700	11.6
207.13774	5.8
208.12354	6.6
209.13324	28.9
211.14835	19.8
212.15285	9.3
214.16978	5.2
215.14326	7.7
217.15842	8.2
221.13271	17.1
221.15346	100.0
222.13759	7.6
222.15742	7.6
223.14777	15.5
227.14265	5.4
232.12837	5.3
233.13313	7.9
233.15468	19.5
234.15919	6.0
235.14731	16.1
237.16507	8.4
245.13231	5.4
255.17537	10.5
261.16513	9.2
263.18051	7.1
265.19778	6.8
270.19724	6.4
283.20636	7.1
287.05527	20.5
287.20209	8.3
295.20322	8.9
299.20123	6.3
301.21844	7.4
335.23895	6.3
367.26447	6.0
444.81964	5.7
491.34991	9.4
583.41180	12.7
601.43188	27.4
602.43054	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.7
57.07075	16.8
59.05030	3.6
62.25475	3.4
64.49919	3.3
65.03941	3.8
67.05509	19.5
69.03446	3.9
69.07064	7.0
71.08582	3.6
71.31205	4.0
79.05482	13.9
81.07053	21.8
83.08601	5.6
85.06532	4.4
89.06033	21.1
90.06344	3.4
91.05487	23.8
91.68330	3.2
93.07043	38.3
94.07359	3.8
95.04975	9.0
95.08623	21.1
97.06542	6.9
105.07038	32.7
107.08614	26.0
109.06505	8.2
109.10139	12.1
117.07004	6.7
119.04943	9.1
119.08591	40.2
121.06511	4.8
121.09415	3.1
121.10103	18.8
123.08062	13.0
125.06004	5.1
128.06239	4.2
129.07056	7.3
131.08566	12.2
133.08575	17.2
133.10124	23.3
134.08907	6.0
135.08052	13.6
135.11693	9.6
137.09628	13.3
142.07776	7.4
143.08559	14.7
145.10106	27.9
147.04437	29.9
147.08099	24.9
147.11711	6.6
149.09569	4.0
151.07550	11.1
155.08571	3.8
156.09384	7.6
157.10153	20.5
158.10899	4.2
159.11716	21.3
161.09610	5.9
161.13338	10.5
163.11211	9.7
165.09122	48.1
169.10130	11.8
171.11713	7.9
173.13286	8.8
175.14815	8.2
177.11263	4.1
181.12242	9.9
183.11659	11.4
185.13234	8.0
187.14775	9.9
189.12740	3.8
191.14371	5.4
195.11700	6.2
197.13307	8.1
203.14336	19.5
207.13797	7.4
209.13281	10.0
211.14886	5.8
220.12421	3.9
221.13457	4.4
221.15344	100.0
222.15730	8.6
223.14879	4.1
278.02377	4.6
286.19180	4.8
287.05588	20.6
287.20126	6.3
367.26321	6.3
376.24274	3.4
491.35141	10.5
583.40863	8.1
601.43091	27.0
604.98071	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	602.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	0.5
56.22783	0.4
69.03431	0.6
78.04703	2.2
79.05490	3.2
81.07042	0.5
85.02903	1.7
91.05483	2.0
93.07060	0.8
95.04957	1.0
97.02942	0.6
98.22606	1.8
103.05483	4.2
105.03425	0.5
105.07040	6.6
106.04176	1.6
107.04948	6.5
108.50765	0.4
115.05461	2.1
117.07018	1.2
119.04983	1.0
121.06515	2.9
122.03698	0.5
123.04431	5.7
123.08030	0.6
124.05231	2.5
125.05997	0.7
129.07028	0.6
131.04936	6.0
131.08554	0.7
133.06473	4.4
134.03568	0.7
135.08040	1.3
137.05994	2.5
141.07016	0.9
143.04892	0.6
144.05733	0.8
145.06474	2.2
145.10089	0.5
147.04390	2.0
147.08072	0.6
149.06004	0.6
151.03896	1.1
151.07585	2.6
152.04689	2.9
153.05460	0.6
157.06509	0.7
158.07281	1.1
159.08061	1.5
160.05225	0.6
161.05992	6.1
163.07547	12.0
167.07048	100.0
168.07367	3.1
173.05940	0.8
173.09619	1.1
175.07562	1.9
177.09129	2.7
179.07074	3.0
181.08595	4.2
187.07471	2.5
189.09123	0.8
191.07059	0.7
193.08611	16.1
194.08937	0.8
201.09123	2.4
203.07002	0.6
205.08574	1.7
206.09271	0.5
219.10187	3.0
233.11732	3.1
237.11154	2.4
249.11267	2.3
249.15442	0.5
250.11566	1.5
251.12564	1.4
263.10605	1.1
291.10309	0.7
296.29895	0.4
305.11801	0.5
308.27084	0.5
323.12759	1.6
324.44901	0.5
355.15427	12.5
356.15582	1.0
387.18027	10.7
388.18488	0.7
405.19086	17.2
406.19345	1.8
529.03931	0.5
584.13654	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	602.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48636	1.2
53.03956	2.7
53.56338	1.3
53.62922	1.3
55.01888	1.9
55.05513	8.0
57.07072	2.1
58.99592	8.5
65.03926	1.6
67.05506	22.8
69.07068	9.3
70.92368	2.4
74.00668	6.7
76.02232	15.9
76.04015	2.2
79.05497	28.5
80.47626	1.3
81.03426	3.2
81.07063	24.1
82.07394	1.5
83.04972	1.8
83.06098	2.5
83.08621	7.3
84.04517	9.4
85.06535	1.8
86.99051	4.4
88.02226	2.4
91.05482	16.4
93.07047	36.1
95.04972	3.3
95.08611	18.0
96.32208	1.4
97.06551	2.0
97.10170	2.7
99.05567	1.5
103.05551	1.8
105.07023	13.8
107.08590	24.4
107.87483	1.2
109.10149	6.4
116.01691	20.6
117.07032	4.8
119.08577	12.4
119.54952	1.3
121.02846	1.2
121.06525	2.7
121.10132	12.1
123.08018	1.7
123.11741	1.9
129.07039	2.4
130.05020	5.6
131.08574	6.2
133.10152	9.9
135.08150	2.1
135.11708	20.6
137.04253	2.8
142.03236	5.2
143.08548	3.0
144.01129	10.4
145.06111	2.7
145.10133	8.9
147.11674	10.4
149.09492	1.6
149.13261	11.3
153.01883	1.9
157.10088	2.9
159.11705	4.0
161.13272	5.9
162.02213	38.2
163.14825	1.9
170.02773	3.7
171.11710	3.9
173.13303	3.5
175.14836	3.8
177.03246	2.7
179.04866	18.2
185.13312	2.5
189.12866	1.4
217.15768	1.4
221.15443	2.9
224.16489	2.1
229.12254	1.3
231.04428	1.6
233.05954	2.4
235.16904	2.0
241.19597	3.9
245.06010	2.2
257.19003	1.7
259.20590	7.9
275.20148	4.0
277.21637	100.0
278.21973	5.9
291.17685	2.2
295.22681	2.8
307.17337	1.7
308.09085	3.8
309.18814	6.1
334.22046	1.9
335.20282	2.4
342.23395	1.5
352.23059	4.4
370.24106	20.9
371.24435	1.7
438.22943	5.2
455.25824	17.9
456.24695	2.8
473.26840	18.1
509.26974	2.2
527.27679	12.4
584.29773	4.3
602.22711	5.0
602.32050	34.7
603.32965	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	602.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01868	5.7
55.05518	14.3
56.05047	1.7
57.03424	1.1
58.99586	8.5
65.03951	2.0
67.05511	26.8
69.06722	1.5
69.07071	14.6
69.60506	3.7
70.02951	7.1
71.04993	1.4
73.01126	1.4
74.00671	6.7
74.02444	1.3
76.02233	12.0
76.04006	10.9
79.05497	41.1
80.05016	2.2
81.07065	32.4
82.06577	2.0
83.04993	2.7
83.06117	5.8
83.08624	8.5
84.04507	19.1
85.01135	4.6
85.04029	17.6
85.06551	1.4
86.00655	1.4
86.98577	0.9
86.99020	4.4
87.02727	1.2
88.02222	2.9
88.04010	1.1
91.05484	22.3
92.01707	7.5
93.07048	52.0
93.18822	0.9
95.04976	4.1
95.08611	21.4
96.08120	1.7
96.11282	0.8
97.01128	5.0
97.06555	3.1
97.10159	3.0
98.94109	0.9
99.02680	1.6
99.05566	4.2
99.08142	1.1
100.02197	4.2
105.04508	2.4
105.07034	16.9
107.06078	1.3
107.08598	25.4
107.09294	1.7
108.08138	0.8
109.06536	2.3
109.10152	9.5
110.09709	1.6
111.02679	4.6
111.08087	1.9
112.02159	1.3
112.03967	5.0
113.03500	6.2
113.04264	3.8
114.03778	1.4
116.01691	16.5
116.03477	1.1
117.07047	6.1
119.08573	14.3
119.86155	1.0
121.06459	1.1
121.10143	22.7
122.09673	1.1
123.02650	2.5
123.08084	1.5
123.11729	3.0
125.04217	6.7
125.09617	1.1
127.05833	1.6
128.06154	1.0
129.06688	3.7
130.05014	29.0
131.04529	18.4
131.08574	7.7
133.10135	12.7
135.05530	1.4
135.10675	1.2
135.11699	24.1
135.12686	1.6
136.11157	1.2
137.04228	2.4
137.09628	1.3
139.05789	1.6
142.03255	4.7
143.08549	2.9
144.01129	5.3
145.06088	38.4
145.10173	4.4
146.01607	1.0
147.07756	1.3
147.11694	8.0
149.03925	3.3
149.09668	1.3
149.13257	12.5
151.05807	1.7
153.06447	1.6
153.07501	1.4
156.08406	1.3
157.10168	2.8
159.11734	3.7
160.00670	3.8
161.13246	2.7
162.02196	19.7
163.11188	1.2
163.14862	2.9
165.07344	1.5
165.12750	0.9
169.06125	1.4
171.11687	2.4
173.13260	3.3
175.14810	2.5
177.03300	100.0
178.03552	1.8
179.04874	15.9
181.06039	4.4
185.03809	6.9
185.13263	2.2
193.16051	1.1
195.13844	1.6
199.07208	2.3
199.14867	2.7
207.13818	1.1
213.16463	1.5
219.08061	1.2
221.15422	2.0
231.04349	6.6
233.05928	2.5
235.16982	1.7
241.19576	2.2
242.06029	1.5
245.05905	1.2
249.05414	1.3
256.09424	1.5
259.20667	5.2
271.11108	1.8
274.10419	4.2
275.20004	1.8
276.23373	1.6
277.21634	57.6
278.21811	3.4
288.06451	6.9
294.24374	4.3
306.07513	15.6
308.05875	1.0
308.09064	6.7
309.18976	4.5
334.22028	2.0
335.20456	2.1
352.23001	8.9
353.21429	29.7
354.21756	2.7
362.21710	1.4
420.71213	1.0
438.23203	3.9
455.25766	56.9
456.25903	5.0
473.26767	9.7
509.26611	2.5
527.27692	3.0
549.71295	1.0
584.29932	5.2
585.29437	1.1
602.30688	3.0
613.77808	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	603.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.5
67.39053	1.5
68.05021	2.0
69.56477	2.4
69.56885	5.3
72.08155	2.6
84.04509	100.0
84.08150	5.9
85.02905	2.0
85.04822	1.7
86.06085	2.9
98.22598	2.7
101.07159	5.8
102.05553	8.8
126.96205	1.5
129.04723	1.5
130.05013	95.3
130.08687	1.9
147.07649	91.3
147.11317	4.5
148.06062	23.1
148.07906	2.0
149.08122	2.4
153.01904	1.4
202.89111	3.1
244.01906	1.4
289.44086	1.4
306.90186	1.7
324.77475	1.6
357.32117	1.3
381.31802	1.5
491.73541	1.6
494.81931	1.7
494.88919	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	603.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	4.4
59.04992	1.4
70.06588	2.3
71.04991	4.4
71.10997	1.7
81.85000	1.1
83.04996	1.1
84.04507	100.0
84.08136	4.1
85.02899	3.7
88.11249	1.7
101.06036	1.2
101.07121	4.8
102.05540	9.6
113.05998	6.0
130.05006	92.1
131.05354	1.7
131.07022	3.4
147.07646	79.7
147.11276	3.5
148.06049	30.7
148.07848	1.0
149.08104	6.2
150.57336	1.1
153.01845	5.9
226.52977	1.1
396.46445	1.1
465.25418	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	603.2992
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
57.82340	0.4
64.38184	0.4
67.05325	0.4
69.23775	1.2
69.24202	1.4
77.07330	0.4
91.06268	0.4
93.07052	0.4
119.77534	0.4
121.02890	0.8
148.22525	0.4
149.78145	0.4
153.01866	0.6
163.74953	0.4
167.07077	0.9
168.07425	0.5
172.70494	0.4
201.03773	1.4
203.05287	7.9
203.07059	0.7
246.90384	0.4
272.39615	0.4
277.03400	0.6
423.23523	10.5
424.24094	0.7
425.25110	21.5
426.25348	1.2
441.24829	0.6
453.36349	0.4
483.16858	0.4
603.29883	100.0
604.30078	8.9
604.39789	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	603.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
55.58323	1.1
58.31395	1.2
59.18116	1.2
64.16390	1.5
69.07052	1.5
79.05500	2.1
81.07047	5.1
91.05480	1.8
93.07037	3.3
95.08632	4.3
98.22530	1.7
99.82304	1.2
105.06989	1.2
107.08581	2.2
117.06995	1.3
193.12233	1.4
251.12529	4.1
319.22372	2.2
375.24976	4.9
396.75421	1.2
423.27042	3.5
441.28323	3.5
459.52335	1.2
505.34927	2.6
569.75110	1.4
603.39166	100.0
604.39276	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	603.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.1
55.01885	18.4
55.05515	79.4
57.03443	3.0
57.07077	20.7
65.03917	3.0
67.04863	4.3
67.05141	5.0
67.05221	2.6
67.05508	60.1
69.04997	18.8
69.07074	60.4
69.07418	4.4
71.05028	3.2
71.08640	12.3
79.05499	43.5
81.03445	2.7
81.07064	92.5
83.05001	11.4
83.08625	54.6
83.76397	2.5
85.02927	2.6
85.10207	6.9
91.05489	35.0
93.07044	40.2
95.04971	23.6
95.08611	37.8
97.06556	12.2
97.10172	39.7
99.04467	6.4
105.07027	31.0
107.05012	9.9
107.08614	29.5
109.06531	24.0
109.10133	15.7
111.04469	8.6
111.08102	9.5
111.11758	8.6
117.07060	9.7
119.08568	22.1
121.06511	5.7
121.10155	22.5
123.08103	6.6
123.11763	9.0
125.09673	7.1
131.08630	11.2
133.06499	3.1
133.10147	16.6
135.08093	4.9
135.11673	15.2
137.09605	5.5
139.11163	3.7
143.08597	4.5
145.10182	10.2
147.08115	3.2
147.11690	13.0
147.66211	2.7
149.09587	16.0
149.13358	5.9
151.11288	2.8
157.10223	3.4
159.11769	8.2
161.13306	3.0
163.11179	13.5
165.12906	3.7
169.10222	3.2
175.14949	2.8
177.12773	3.8
187.11183	3.4
189.11331	5.1
223.13304	31.0
229.19804	2.9
237.22118	24.4
257.19070	7.3
273.18695	8.8
275.20068	43.3
291.19696	11.5
292.36313	2.8
293.21109	20.8
311.25720	12.9
313.27527	7.6
349.23907	11.9
505.39197	7.7
544.34967	3.3
603.46362	100.0
604.46832	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	603.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01881	8.9
55.05515	65.1
55.07137	1.0
57.03441	3.2
57.07080	22.2
58.07414	1.3
63.39943	1.1
65.03938	2.8
67.04803	2.3
67.05242	3.6
67.05510	57.0
68.05843	1.2
69.03429	2.7
69.07072	68.2
70.07411	1.2
71.04993	3.9
71.08632	15.7
79.05499	43.6
81.03430	3.9
81.07062	100.0
82.07403	1.7
83.04977	7.2
83.08624	50.1
85.02908	1.7
85.06555	5.8
85.10204	7.7
91.05485	36.4
93.07055	28.8
94.07366	1.4
95.04972	12.1
95.08611	39.5
96.08951	1.8
97.02908	1.9
97.06509	6.5
97.10178	31.8
99.08109	3.5
105.04506	2.1
105.07038	34.3
107.04962	8.1
107.08601	21.5
109.06523	22.3
109.07251	1.4
109.10160	16.5
111.04425	1.7
111.08099	5.6
111.11731	8.0
117.06996	8.5
119.08585	26.1
120.08955	1.0
121.06537	4.5
121.10155	20.8
121.11026	1.6
123.08059	6.5
123.11716	11.9
124.30556	1.0
125.09663	3.5
125.13237	2.0
127.07576	1.4
129.07007	4.4
131.08585	13.3
132.40488	1.1
133.06522	2.2
133.10143	17.1
135.08061	5.0
135.11694	10.1
137.09636	4.4
137.13301	3.1
143.08583	2.5
145.10106	12.5
147.08176	2.1
147.11702	21.3
149.09601	8.4
149.13271	6.6
151.11232	3.6
157.10129	4.7
159.08116	2.0
159.11728	9.0
161.09647	1.8
161.13298	4.2
163.11176	5.7
165.12773	8.9
169.10077	1.6
171.11658	2.8
173.09641	1.2
173.13284	4.0
175.11290	3.3
175.14801	1.3
177.12766	3.8
179.14226	1.3
183.11763	1.2
191.14423	1.6
193.12312	3.2
195.13803	1.5
201.12779	1.1
205.12186	1.6
219.21124	1.9
223.13336	4.8
229.19534	1.8
237.22156	16.0
239.18044	3.6
247.20587	3.7
257.19022	6.1
267.16028	3.6
273.18454	5.8
275.20071	48.5
276.20486	2.3
279.16153	1.0
291.19577	13.0
292.19931	1.5
293.21088	18.0
311.25793	18.2
311.29050	1.9
312.26312	1.2
313.27335	3.0
327.28699	1.2
348.11154	1.1
349.23755	20.0
399.15051	1.1
505.39090	5.1
517.08923	1.2
521.38135	1.3
585.44922	7.2
603.46173	90.6
604.46613	10.4
625.83246	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	604.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87883	0.3
53.03957	1.6
57.03431	0.9
69.03436	6.7
71.04993	0.5
73.02908	0.7
77.03917	0.3
79.05503	1.7
79.07735	0.3
81.03421	5.2
85.02911	7.0
86.21789	0.3
87.04465	1.1
91.05479	1.1
95.04977	0.4
97.02894	1.1
99.04447	1.3
101.02402	0.8
103.05464	1.6
105.07033	21.6
106.07410	0.6
109.02887	3.3
121.06535	0.4
127.03928	8.6
129.06999	0.4
131.04982	0.4
133.06496	0.6
145.04980	1.1
145.29375	0.3
147.04382	0.9
157.02881	0.7
175.03908	1.1
185.02345	0.8
186.31685	0.3
187.03891	3.4
191.03607	0.6
201.01843	0.7
203.03352	2.0
213.01831	2.3
215.03372	2.8
219.02945	0.6
229.01324	1.3
230.02203	0.4
231.02882	15.1
241.01295	2.7
247.02397	0.9
257.00696	1.0
259.02396	27.5
260.02710	1.2
275.01874	2.2
276.02551	1.5
277.03433	100.0
278.03815	5.0
285.00220	1.2
303.01364	22.2
304.01666	1.2
315.80292	0.3
321.02435	3.9
324.44882	0.4
363.03415	0.9
381.09735	0.6
447.05414	0.9
465.06638	8.8
465.12988	0.7
466.06973	0.7
587.13971	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	605.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.3
51.02387	0.8
53.03940	0.7
55.01870	0.4
55.05485	0.3
57.03438	0.2
65.03944	0.8
67.05492	0.7
68.99796	0.5
69.03426	1.2
69.04867	2.4
70.06594	0.3
77.03918	0.7
79.01855	1.1
81.03421	0.6
82.87720	0.3
83.04959	0.6
85.02905	1.5
91.05470	0.4
92.22235	0.2
95.04973	1.4
97.02890	1.5
98.23429	0.4
105.03391	1.3
105.04508	0.3
105.06954	0.4
107.01295	0.4
109.02908	0.4
111.00813	0.4
111.04432	1.7
121.06495	0.3
123.04430	100.0
124.04755	2.7
125.02325	1.3
127.03905	0.9
135.04391	0.4
137.02275	0.3
139.03899	32.3
140.04269	1.0
143.03418	1.3
145.36539	0.3
147.04411	2.0
149.02432	0.2
151.03912	9.9
153.01828	23.5
153.02913	1.6
154.02177	0.7
159.11662	0.2
161.05992	0.5
163.03886	1.3
163.07520	0.4
165.05487	0.6
171.02864	0.5
177.05475	0.5
189.05460	0.6
191.03375	0.7
213.05481	0.3
217.04848	0.3
231.06442	0.5
248.06573	0.5
273.07553	5.5
287.05496	0.5
291.08527	0.5
299.05566	0.3
301.07034	0.3
443.13202	1.6
530.83649	0.3
605.17297	3.4
606.18622	0.5
630.48267	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	605.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73651	0.7
51.02373	0.8
53.03951	8.0
55.01881	7.0
55.05523	1.0
57.03436	4.3
65.03934	1.1
67.01870	2.0
69.03435	23.5
69.45970	0.6
71.01364	1.5
71.05011	5.2
73.02919	1.7
75.34467	0.6
79.05504	6.8
81.03425	24.7
81.07078	0.8
83.01353	1.0
85.02911	14.8
91.05489	9.7
93.07085	0.8
95.04977	1.9
97.02895	7.1
98.23415	2.0
99.04454	11.1
100.11264	2.1
101.02390	2.6
103.03967	0.7
103.05467	3.7
105.07037	57.2
106.07362	1.9
107.04948	0.9
109.02883	22.2
110.31824	0.7
115.05443	1.5
117.05517	1.4
117.07009	2.7
119.04985	1.0
119.08602	2.2
127.03922	35.2
128.06207	1.6
129.07018	2.9
131.04919	1.2
131.08542	0.6
133.02837	1.6
133.06494	17.2
134.06802	0.7
135.04437	1.1
137.02390	1.2
141.01855	1.1
141.07008	2.1
141.78815	0.7
143.08557	3.5
145.04956	1.4
147.04427	5.1
147.08086	2.2
149.02405	0.8
153.01826	1.9
153.06909	0.9
163.03920	9.9
163.07529	0.8
163.36436	0.7
165.01849	4.0
165.05565	1.2
167.08640	1.6
171.08052	1.1
173.02380	1.1
175.03944	3.3
177.01840	4.1
179.03387	3.7
181.01305	1.1
182.15492	1.2
185.02345	0.9
185.09636	4.4
187.03917	1.2
191.03395	26.9
192.03763	0.9
193.01376	8.4
193.05037	2.0
195.02873	1.1
195.08075	1.3
199.05972	0.9
199.80162	0.7
201.01854	2.7
203.03421	6.7
205.01321	5.2
207.02908	2.4
210.14972	1.4
213.01968	1.3
213.09094	10.7
215.03403	1.1
219.02899	33.6
220.03177	2.0
221.00829	57.9
221.04379	2.1
222.01181	2.2
223.02423	4.0
229.01416	1.5
231.02895	11.0
231.10191	3.1
233.00829	15.3
235.02415	2.3
239.01849	12.8
241.01369	1.5
247.02405	25.8
248.02795	1.4
249.03993	3.7
251.01753	1.0
257.00739	3.9
259.02396	13.3
265.03464	2.8
275.01877	49.6
276.02274	3.2
277.03461	12.6
285.00128	1.6
293.02902	6.9
303.01392	19.2
303.04428	0.7
304.01657	1.3
321.02411	10.0
339.03488	40.6
340.03860	2.1
365.04913	3.5
381.04568	2.5
410.13376	2.8
411.14014	0.9
423.05710	3.3
425.08649	1.3
441.06757	2.4
447.05554	2.1
464.24689	0.7
465.06668	10.2
483.07709	100.0
484.08038	9.0
509.68134	0.6
587.13824	2.2
605.19781	3.6
605.29077	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	605.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98986	0.4
60.60289	0.5
67.05500	0.5
69.60533	0.8
69.60938	1.7
76.76807	0.5
77.49497	0.4
85.03297	0.4
98.22697	0.5
107.75990	0.5
120.91158	0.5
121.06509	0.6
123.04449	2.1
123.11687	0.4
126.68599	0.5
137.05956	0.7
148.04744	0.7
151.03929	0.7
163.03973	1.6
189.05238	0.7
212.00717	0.5
214.54509	0.5
286.04700	0.7
301.06912	1.2
331.08289	0.7
377.10120	0.6
378.10776	1.0
393.09439	2.5
408.11832	5.8
409.12338	1.1
557.18048	0.6
575.19067	0.8
605.19891	100.0
606.20239	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	605.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18130	0.7
69.18539	2.0
81.03395	0.3
81.12241	0.3
85.02908	0.3
100.85833	0.3
101.23476	0.3
105.60740	0.3
123.04431	3.4
124.04795	1.3
135.04414	0.3
137.02299	0.4
137.06032	0.5
139.03886	2.7
140.04243	0.7
149.29428	0.3
151.03944	0.8
152.04321	0.4
153.01813	2.3
153.52153	0.3
177.05551	0.3
291.05005	1.1
491.17325	0.3
532.06110	0.3
590.20001	0.3
605.22034	100.0
606.22375	11.6
611.07605	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	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.2
55.01879	11.2
55.05515	42.5
55.52864	2.4
57.03416	3.0
57.07077	57.9
65.03944	5.7
67.05507	57.4
69.03436	3.6
69.07068	33.6
71.05022	3.9
71.08633	44.7
79.05494	49.0
81.03427	4.3
81.07061	61.9
83.04990	17.2
83.08627	38.0
85.02916	5.8
85.06535	2.7
85.10173	21.5
86.87228	2.4
91.05482	34.2
93.07046	46.3
95.04971	55.8
95.08609	57.4
97.06532	6.5
97.10152	17.1
99.04469	9.0
105.07036	26.5
107.04980	11.6
107.08595	38.9
109.06553	7.3
109.10163	26.6
111.04440	19.1
111.08086	7.1
115.05489	4.3
117.07019	15.3
119.08601	23.1
121.06536	5.0
121.10149	19.9
123.08098	6.8
123.11710	8.5
125.09686	15.8
129.07047	5.7
131.08592	14.1
133.10124	15.0
135.08092	6.3
135.11722	10.4
137.09714	2.9
139.11185	3.2
143.08641	3.5
145.06520	9.4
145.10121	19.2
147.08060	4.7
147.11697	11.3
149.09605	24.6
153.33971	2.9
155.08650	3.6
157.10092	4.8
159.11742	7.0
161.13226	3.1
163.11177	22.8
165.12772	4.9
169.10199	3.7
185.76581	2.7
189.11224	13.5
205.12349	6.6
213.27478	2.5
223.13278	60.0
223.15324	4.4
224.13774	3.6
229.19565	5.3
239.18076	3.5
239.23752	5.0
247.20638	4.6
257.19043	8.6
260.94296	2.8
271.17029	10.3
275.20081	80.4
276.20383	3.0
293.21112	39.6
294.21384	3.0
313.27438	22.5
349.23727	15.0
519.26752	2.6
549.58563	2.7
577.38361	3.4
587.46515	5.8
605.47827	100.0
606.48578	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	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01870	8.4
55.05514	40.8
57.03433	5.7
57.07077	58.4
65.03914	1.9
67.05506	50.1
69.07067	35.0
69.54411	4.2
69.54790	7.6
71.04984	6.6
71.08633	42.4
79.05494	36.2
81.03423	8.0
81.07055	59.2
83.04988	14.3
83.08619	35.4
85.02914	5.4
85.10191	19.8
89.32626	1.6
90.43152	1.8
91.05476	27.6
93.07043	35.2
95.04971	47.4
95.08605	56.8
95.89964	1.8
97.06528	8.0
97.10174	20.1
99.04472	8.9
103.06044	1.8
105.07037	24.8
107.04953	11.0
107.08601	35.1
109.06548	6.9
109.10160	22.8
111.04461	19.6
111.08102	5.8
111.11760	2.1
115.05437	2.0
115.15445	1.8
117.07055	8.8
119.08595	17.5
121.06494	6.1
121.10152	21.1
123.08050	4.5
123.11719	7.6
125.09633	10.2
129.07016	3.4
131.08571	13.2
133.06604	1.9
133.10130	13.5
135.08064	6.1
135.11711	6.6
135.75212	1.9
137.13278	4.0
139.11200	2.7
143.08609	2.5
145.10120	14.8
147.08072	7.1
147.11720	7.0
149.09598	29.5
153.09131	3.1
157.10141	2.9
159.11714	10.1
163.11182	26.0
165.12761	3.2
167.48039	1.8
169.10155	2.6
171.11630	2.0
173.13216	2.6
175.11266	4.2
177.12694	4.5
183.11719	2.5
187.11244	5.0
189.11223	13.9
189.12646	1.8
193.12218	2.6
200.26028	1.8
205.12210	6.2
213.16595	2.0
215.18030	1.8
223.13281	64.8
224.13818	2.8
229.19568	3.9
239.18034	3.9
239.23743	9.8
257.19000	9.6
275.20059	72.1
276.20413	5.3
293.21088	39.3
311.22272	2.5
313.27347	20.3
349.23737	16.1
350.24414	2.3
443.49615	2.0
445.23865	3.0
446.89072	1.9
487.25122	5.5
513.42706	2.3
587.46704	5.2
605.27771	23.5
605.47729	100.0
606.27753	6.2
606.48016	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	605.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01875	9.5
55.05512	31.8
57.03443	8.7
57.07075	66.1
67.05502	75.2
69.07067	34.9
69.65867	3.6
71.04984	6.6
71.08635	49.0
79.05486	37.0
81.03417	8.2
81.07054	100.0
83.04984	11.9
83.08623	35.2
85.06551	7.5
85.10193	24.2
91.05489	30.8
93.07045	43.9
95.04959	26.8
95.08610	72.3
97.06525	11.5
97.10151	15.7
98.22628	8.0
98.98485	6.3
99.04447	4.1
99.08091	10.8
100.82930	3.5
101.50001	3.1
105.07041	23.0
107.04958	9.8
107.08589	31.5
109.06503	5.1
109.10166	31.8
111.04443	8.3
111.08080	6.7
113.09675	3.4
117.07003	9.1
119.08582	15.8
121.10110	20.5
123.08095	4.7
123.11710	13.6
125.09616	7.5
131.08569	13.3
133.10158	10.9
135.11710	8.8
137.09627	4.0
139.11263	3.4
145.10126	10.2
147.11688	8.9
149.09619	14.1
149.13266	8.4
151.11197	4.5
153.14474	3.1
154.35263	3.3
155.01071	5.4
159.11717	11.3
163.11191	11.4
165.12747	6.2
177.12718	7.0
177.77678	3.3
195.13837	5.5
214.34509	3.0
223.13243	15.7
239.23712	8.2
247.20589	6.5
257.18939	7.8
265.81943	3.8
267.15869	5.8
268.16138	3.8
269.17416	4.4
273.71838	3.8
275.20038	38.7
293.21100	34.9
295.22571	4.9
313.27322	18.1
349.23624	12.2
376.21515	3.4
507.40393	73.3
508.40912	9.5
587.46271	5.4
605.39233	5.5
605.47870	74.2
606.48059	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15987	2.4
53.03943	5.0
55.01868	11.7
55.05515	50.8
57.03434	8.5
57.07080	92.5
65.03950	6.1
67.05507	80.3
69.03459	4.1
69.07074	53.1
69.07422	4.7
71.05002	8.7
71.08637	66.2
71.21825	2.7
79.05496	58.2
81.03434	11.4
81.07066	93.0
83.04989	22.4
83.08628	51.2
85.02925	4.8
85.06559	5.7
85.10176	28.2
91.05489	37.7
93.07050	47.3
95.04369	3.4
95.04977	70.3
95.08612	79.4
97.06531	11.8
97.10182	19.8
99.04474	10.2
99.08108	7.1
105.07037	34.4
107.04958	13.9
107.08607	46.0
109.06512	6.5
109.10164	31.8
111.04474	19.9
111.08097	9.4
117.07039	19.3
119.08588	30.9
121.06538	9.1
121.10158	35.9
123.08100	7.1
123.11710	10.4
125.09650	11.8
129.07068	3.7
131.08566	17.4
133.10150	21.6
135.08038	7.1
135.11723	18.5
137.09671	5.4
139.11206	4.0
145.10141	20.9
147.08067	5.1
147.11710	13.0
149.09604	31.3
149.13300	7.6
151.11230	3.7
157.10143	3.2
159.11690	15.7
161.09689	3.7
161.13283	5.4
161.30498	2.7
163.11211	28.5
165.12781	5.7
169.10179	5.8
171.11757	4.4
173.09703	3.7
173.13310	2.8
177.12801	9.8
187.11241	3.2
189.11259	7.2
193.12309	2.9
201.12816	2.9
205.12283	6.6
223.13313	62.8
223.15331	4.9
224.13533	3.9
229.19611	4.6
239.23665	5.4
247.20584	5.2
257.19089	9.0
264.61719	3.2
267.15997	4.8
268.16208	4.5
275.20062	75.9
276.20715	6.0
293.21140	43.0
293.24438	3.4
313.27438	23.6
349.23651	14.9
358.30154	3.0
506.39395	2.7
507.40555	21.9
508.40634	3.8
587.46710	5.8
605.47742	100.0
606.48169	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	606.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
60.04530	1.0
61.63420	0.2
62.89562	0.2
64.22533	0.3
67.93311	0.3
69.04375	2.2
71.08637	18.1
72.08964	0.4
88.11276	100.0
89.11600	2.0
98.23382	0.5
102.98040	0.3
106.05029	1.7
121.06490	1.5
138.09138	0.5
153.01837	0.9
342.28003	0.3
415.04898	0.3
564.02045	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	607.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03949	3.7
57.85813	0.5
65.03942	0.4
69.50536	2.3
77.03938	1.3
78.60310	0.4
78.98637	0.4
79.05512	0.4
81.07021	0.5
91.05481	11.9
93.07044	18.2
93.73920	0.4
95.04962	4.5
103.05470	14.7
105.04510	1.2
121.06505	100.0
122.06827	2.5
123.04390	0.6
129.23213	0.4
188.90031	0.4
251.05936	0.7
252.06516	0.7
261.04242	2.6
263.05762	0.6
266.08197	1.8
276.06598	0.9
278.08194	2.4
279.05347	1.5
289.03714	4.8
294.07706	2.4
304.06042	54.9
305.06390	3.4
307.04657	6.2
322.07080	10.7
323.07544	0.6
324.08615	1.1
332.05530	18.7
333.06003	1.6
334.07111	1.3
335.05072	3.1
337.69321	0.5
349.08124	0.5
350.06577	74.4
351.06894	4.9
355.19009	0.5
464.18832	0.4
469.14029	8.7
470.12341	19.4
471.12845	1.9
472.27878	0.4
487.14612	0.8
500.61966	0.4
607.20734	66.4
608.21088	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	607.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
57.89867	0.4
70.08060	0.8
70.08418	0.8
74.16539	0.4
91.05482	0.8
93.07045	1.1
103.05485	1.1
111.89508	0.5
121.06513	5.0
123.04397	0.7
147.04453	0.5
166.39354	0.4
201.95273	0.5
275.13913	0.4
295.37823	0.4
309.06305	1.9
315.13297	0.4
324.08722	1.6
325.09323	0.5
350.06677	0.5
361.10611	1.0
363.12091	0.5
365.10248	0.9
377.09906	1.7
379.11453	0.7
380.12366	1.5
381.13058	0.5
392.12482	1.7
395.10938	2.6
409.12512	0.5
410.13388	6.6
411.14120	1.3
470.79758	0.4
487.14972	1.9
577.20392	1.3
607.21466	100.0
608.21790	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	607.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04768	0.3
58.30804	0.3
69.56292	1.8
76.91687	0.4
85.02920	0.4
91.05501	1.0
93.07058	1.1
95.05008	0.5
98.23328	0.6
103.05484	0.7
105.07070	0.3
110.17081	0.3
119.44942	0.4
121.06521	4.1
123.04448	1.4
139.03932	0.4
147.04463	0.8
151.03923	0.7
153.01855	0.8
156.43562	0.4
163.03955	0.8
283.09595	1.9
296.08838	0.5
303.05179	0.4
303.08826	0.4
309.06357	1.4
324.08734	1.9
361.10550	1.4
363.12054	0.8
365.10114	1.1
377.09982	1.3
379.11612	0.9
380.12302	1.3
392.12350	1.8
393.13052	0.8
395.11127	3.4
410.13306	6.7
411.14084	1.7
487.14859	1.3
577.20538	1.1
607.21490	100.0
608.21759	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05501	0.6
57.07087	0.5
63.34642	0.3
67.05505	2.0
69.07068	0.8
69.42690	0.7
69.43105	1.3
77.72238	0.4
79.05504	1.3
79.65469	0.3
81.07049	2.4
91.05486	1.0
93.07045	1.2
95.04990	0.6
95.08605	0.9
105.07056	1.4
107.08577	0.6
109.06561	0.7
109.10172	0.7
114.83392	0.3
119.08597	0.7
121.10164	1.0
131.08609	0.7
133.10159	0.6
147.11676	0.5
159.11691	0.6
198.11131	0.4
255.36064	0.4
260.11783	0.4
275.20175	0.5
313.27353	0.4
314.69189	0.4
374.15771	0.5
375.16196	1.0
376.17209	0.6
387.16254	0.6
388.16956	1.2
389.17776	2.7
390.18530	1.0
391.19257	0.7
401.17999	0.7
402.18491	1.1
403.14725	0.4
403.19473	3.7
404.20044	1.8
405.20755	2.7
406.21146	0.6
415.19730	0.6
416.15945	0.9
417.16159	3.1
417.21210	1.7
418.17603	1.4
418.21664	1.3
419.22620	5.5
420.22873	1.6
430.17368	0.9
431.18231	6.5
432.18985	3.0
433.20026	3.3
434.20557	0.5
435.22275	0.4
445.20139	5.0
446.20911	9.0
447.21729	9.4
448.22147	1.1
459.17123	0.6
459.22424	1.2
460.18558	0.8
461.19296	1.8
462.24640	0.8
463.25476	0.6
473.18823	0.7
473.24414	0.8
474.20425	6.4
475.20956	4.9
476.21460	0.4
477.22852	1.0
478.24182	0.8
487.21692	1.7
488.21844	0.6
490.23709	0.9
491.19641	2.7
501.22818	1.2
504.21350	0.7
505.22150	0.5
519.24042	17.5
520.24445	2.1
529.22180	0.6
547.23383	11.9
548.23633	1.2
579.25854	6.0
580.25476	0.7
607.25476	100.0
608.25806	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	607.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84818	0.4
57.07082	0.7
67.05511	0.7
68.07124	0.4
89.39291	0.4
101.43794	0.4
129.20685	0.5
139.14702	0.4
154.78070	0.4
378.08536	0.4
387.16006	0.6
389.17590	1.1
401.17871	0.7
402.18311	1.0
403.19128	3.8
404.19736	0.9
405.20789	1.7
415.19333	0.7
416.20203	1.2
417.21219	4.2
418.21524	1.9
419.22284	3.6
429.21228	0.9
430.17291	0.7
430.22198	0.8
431.17996	7.4
432.19305	1.9
432.24121	0.7
433.24088	9.7
434.24469	1.7
444.18933	0.7
445.19614	9.3
446.20639	5.3
447.21533	4.2
458.20779	0.7
459.21371	4.6
460.22537	11.7
461.23361	12.3
462.23648	1.9
473.23636	3.8
474.24152	1.9
487.24835	1.7
488.25409	0.7
489.22769	0.6
505.21722	2.3
515.24854	0.9
519.23370	1.0
519.28046	1.2
532.24799	0.9
547.27032	39.5
548.27466	4.6
575.26465	1.3
579.30200	0.6
607.29132	100.0
608.29456	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	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
70.53988	0.7
94.88396	0.4
147.57755	0.3
207.56590	0.4
373.14685	0.4
380.76303	0.4
387.16010	0.8
388.16571	0.4
389.17752	1.3
391.19330	0.4
401.17960	0.9
402.18460	1.3
403.19101	4.2
404.19934	1.6
405.20581	2.1
406.21396	0.4
415.19672	0.5
416.20059	1.4
417.16162	0.8
417.21301	5.4
418.21722	2.8
419.18066	0.4
419.22437	4.6
430.17993	1.7
431.18155	10.7
431.23749	0.5
432.18683	3.6
433.24121	11.1
434.24841	1.9
444.19397	1.0
445.19806	12.4
446.20593	6.8
447.21649	6.4
447.27118	0.4
449.23050	0.4
458.20978	0.5
459.21500	6.3
460.22525	18.0
461.23300	18.4
462.24023	1.7
463.20715	0.5
473.23666	4.7
474.24265	1.9
477.22797	0.6
487.25198	2.4
488.25720	0.7
491.24203	1.2
492.25137	1.2
504.25562	0.6
505.21692	4.2
506.27402	0.9
515.24463	1.4
518.23181	0.5
519.28687	2.4
520.23828	0.6
532.24744	1.2
533.25592	0.7
547.27039	40.0
548.27313	4.9
575.26410	1.3
578.24835	0.7
579.29529	0.9
607.29126	100.0
608.29352	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	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.8
51.52640	2.3
52.96712	2.2
53.03957	8.7
55.01878	7.5
55.05518	25.0
57.03445	3.3
57.07078	1.9
64.38187	1.7
65.03943	3.7
67.05510	57.7
69.03437	2.6
69.07075	32.7
69.42988	6.1
69.43398	3.6
71.04988	4.6
71.08666	2.0
79.05500	43.0
80.05807	2.1
81.03432	7.9
81.07060	67.9
83.04995	7.3
83.08625	11.1
85.06556	2.7
89.23428	1.7
91.05485	70.5
93.07050	41.5
95.01338	4.3
95.04972	11.6
95.08614	42.4
97.06530	13.4
97.10180	5.4
99.08128	2.0
100.05989	2.0
103.05534	2.4
105.04500	2.2
105.07039	73.7
107.04967	13.4
107.08611	26.2
109.06532	5.4
109.10181	12.1
111.08075	2.5
113.09687	2.3
115.05396	3.5
116.06273	1.9
117.07019	24.8
119.08588	47.0
121.06511	3.7
121.10132	15.2
123.08085	3.3
123.11668	2.0
125.09638	2.0
128.06216	3.0
129.07004	15.9
130.07910	1.8
131.08574	30.9
133.06520	3.8
133.08650	2.2
133.10136	40.2
133.11052	2.7
135.08096	2.7
135.11696	9.3
137.09624	2.4
141.07028	4.8
142.07858	3.5
143.08585	18.6
145.10121	24.3
147.11697	26.3
149.09653	5.6
149.13286	4.9
155.08586	11.5
157.10126	16.1
159.08101	1.8
159.11670	18.3
160.12077	1.8
161.09583	1.9
161.13287	8.5
163.11188	3.3
165.07054	2.2
167.08597	6.5
169.10141	13.8
171.11707	13.2
173.13350	6.8
175.14886	2.5
177.12746	2.9
179.08595	3.9
179.14302	11.0
181.10132	11.2
182.11012	3.7
183.11717	13.3
185.13280	6.0
187.11208	2.5
187.14905	2.0
193.10165	4.6
195.11676	9.5
197.13269	9.7
199.14972	3.5
207.11798	4.5
209.13315	7.1
211.14897	4.4
213.16483	3.2
221.13354	4.6
223.14912	4.7
225.16498	2.2
231.59848	2.0
233.13397	2.2
235.30002	2.0
237.16562	2.8
239.17998	2.5
241.19531	9.1
247.14848	2.9
247.20602	2.7
249.16455	2.4
251.17856	2.0
257.19128	5.2
259.20630	8.3
265.19656	2.6
275.20099	48.3
276.20496	5.0
281.17538	2.2
293.21255	3.9
315.23407	8.6
321.22473	2.1
349.23950	6.8
363.26627	2.7
394.97180	1.9
515.38904	7.3
533.39850	9.0
551.41083	4.6
589.42407	4.1
607.43585	100.0
608.44281	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	607.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.4
53.03944	3.3
55.01875	3.0
55.05268	2.4
55.05515	23.5
57.03434	3.1
57.07076	2.8
60.96283	1.3
65.03931	3.1
67.05506	43.3
69.03458	1.6
69.07070	15.9
71.05002	3.8
71.27980	1.4
71.28353	2.3
77.03938	1.5
79.05494	41.9
79.64632	1.2
81.03413	2.7
81.07058	58.5
83.04992	4.4
83.08611	10.8
85.06537	2.1
91.05479	38.5
93.07048	33.4
95.04996	4.9
95.08601	34.1
95.09161	2.2
97.06551	4.9
97.10200	2.7
99.08096	1.8
103.05472	1.7
105.07031	35.4
107.04974	5.6
107.08596	18.4
109.06528	12.3
109.10162	11.1
111.08118	3.6
115.05450	2.0
117.07001	12.8
119.08578	27.1
119.09351	2.3
121.06516	3.2
121.10145	11.3
123.08076	2.3
123.11710	4.3
128.06259	3.7
129.07025	9.1
130.07756	2.0
131.08577	24.6
131.09508	2.2
133.06522	2.6
133.10138	22.3
135.08049	2.5
135.11703	5.7
137.09593	2.2
141.07010	4.7
142.07794	2.7
143.08563	13.0
145.06477	1.5
145.10132	18.5
147.08080	2.1
147.11678	13.2
149.09633	4.0
149.13292	5.5
151.11227	2.1
153.07021	1.7
154.07712	2.1
155.08588	11.3
157.10164	13.3
159.08081	2.0
159.11697	15.4
161.09586	2.4
161.13290	6.1
163.11311	3.0
163.14949	1.5
165.07004	2.2
167.08556	8.2
168.09370	1.7
169.10121	10.5
171.11676	10.4
173.09651	2.8
173.13255	8.6
179.08574	3.1
181.10114	7.5
183.11719	10.8
185.13239	7.1
187.14900	3.9
189.12788	1.7
193.10184	5.5
195.11729	11.5
197.13197	7.6
199.14847	5.6
207.11746	3.3
209.13312	6.9
211.14870	5.2
213.12762	2.7
213.16376	3.1
221.13293	4.4
223.14867	6.1
225.16367	3.2
231.97820	1.3
235.14911	2.7
237.16356	3.5
239.18030	4.7
241.19627	2.2
251.17917	2.8
257.19046	3.7
259.20602	4.1
273.18799	2.5
275.20108	18.4
311.20349	1.6
315.23248	3.0
321.22333	1.8
329.24918	1.7
505.40567	2.2
515.38812	8.3
533.39972	15.6
534.40350	1.8
537.35712	2.4
538.35858	2.5
546.50592	1.8
551.40918	12.8
589.42297	4.9
607.43567	100.0
608.44122	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	607.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28381	1.8
53.03948	3.0
55.05512	16.4
57.03441	3.1
57.07081	37.4
57.61722	1.8
62.66404	1.8
65.01656	1.9
67.05512	35.3
69.07074	16.9
71.05002	2.2
71.08634	22.6
79.05504	14.0
81.03448	4.1
81.07063	28.3
83.04998	2.7
83.08622	10.2
85.10188	27.6
91.05495	12.6
93.07056	12.1
95.04990	10.4
95.08614	28.5
97.10183	7.0
105.07055	11.3
107.04939	3.3
107.08630	10.3
109.06518	3.0
109.10159	23.1
113.09650	17.4
113.38920	1.9
119.08586	3.8
121.10162	7.6
123.11739	4.1
127.03301	1.8
129.07007	2.9
131.08586	3.7
133.10162	9.0
135.11708	3.1
145.10164	2.0
147.11722	7.1
149.09641	5.1
151.11159	3.9
163.11174	3.7
165.12769	22.8
169.12267	3.6
179.14238	2.5
234.55826	2.2
239.23814	5.5
259.20474	3.3
260.28949	2.2
276.88785	2.2
277.21677	50.7
295.22681	100.0
296.23001	5.6
313.27332	14.1
333.24127	3.1
351.25360	13.5
460.22882	2.7
461.23538	2.1
474.12189	2.7
505.98273	2.2
547.27277	5.3
589.47864	5.9
607.29150	24.4
607.49286	51.8
608.29138	4.2
608.49670	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	608.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22849	0.5
53.03945	1.7
53.15588	0.6
55.01883	3.2
55.05505	0.6
57.03435	0.6
65.03933	4.6
69.03429	5.3
71.01381	0.7
71.05023	0.8
71.29868	0.7
81.03433	4.6
85.02892	2.9
87.61941	0.5
88.47813	0.5
90.98962	0.6
91.05484	100.0
92.05814	2.6
97.02908	2.0
99.04457	2.3
100.35390	0.5
103.03992	0.6
105.07038	1.1
109.02876	4.3
117.05560	0.6
121.06518	1.0
127.03946	4.9
129.07002	1.5
131.08577	0.7
133.06525	1.8
143.08542	1.3
145.06496	1.2
153.01852	1.9
153.07022	0.9
161.05998	1.0
163.03906	1.8
171.08095	1.9
191.03384	4.1
193.01286	1.9
197.79924	0.6
199.07567	6.4
203.03389	0.9
205.01315	0.7
217.08618	2.4
219.02913	6.7
221.00815	11.0
223.02510	0.9
231.02974	2.4
233.00702	3.1
239.01915	2.5
247.02336	5.5
257.00836	0.7
259.02420	2.1
275.01883	10.2
277.03546	2.2
293.02963	1.1
303.01285	3.4
311.05579	2.4
321.02441	2.3
339.03439	6.4
365.06360	1.4
370.34393	0.7
375.05023	0.7
381.04474	1.1
393.05969	1.7
400.40805	0.7
411.07019	7.5
412.07513	0.7
441.07043	0.9
441.92972	0.6
447.05502	1.0
449.98651	0.7
465.06689	8.9
466.07266	0.7
483.07642	15.7
484.07901	1.3
555.11414	0.8
573.12445	13.1
574.12830	1.4
608.21393	1.1
609.24799	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	608.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05514	7.5
57.03426	0.9
57.07081	18.4
59.04999	1.9
65.03947	1.8
67.05509	49.2
67.31801	0.6
68.05846	0.9
69.07075	5.2
69.68906	2.5
71.05007	1.2
71.08638	11.5
74.40601	0.9
79.05505	2.9
81.07061	14.9
83.08629	7.0
85.06547	1.5
85.10180	5.7
91.05468	4.7
93.07050	3.4
95.05011	1.0
95.08616	11.3
97.06545	1.1
97.10175	2.3
98.98486	1.8
99.61094	0.7
105.07017	1.2
105.27657	0.7
107.08606	1.7
109.10165	35.7
109.10921	1.8
110.10469	1.0
111.08114	1.3
117.07059	1.0
119.08592	2.6
123.11716	1.5
128.77837	0.7
131.08575	1.2
133.10153	1.4
137.09633	1.0
137.13274	0.8
146.85960	0.8
155.01100	1.0
155.10690	1.2
173.11748	7.9
180.13919	3.5
198.14949	5.4
229.14375	2.3
239.23787	2.5
249.42093	0.7
255.78816	0.8
276.20306	0.7
278.11453	1.0
282.27884	1.5
313.27515	2.8
334.14069	1.2
352.15115	3.5
467.37347	100.0
468.37708	11.9
511.38126	1.3
590.38306	5.5
602.31036	0.9
608.44366	1.3
609.34875	2.7
609.44867	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	608.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01880	4.0
55.05516	26.6
57.03440	7.9
58.85703	2.1
65.03951	3.5
67.05509	62.8
69.07073	23.1
71.04986	3.1
71.28059	2.0
73.06556	2.8
79.05503	66.8
79.05965	3.3
81.03429	8.1
81.07065	100.0
83.04996	12.6
83.08624	17.2
85.06564	5.0
91.04914	2.0
91.05492	62.5
93.07045	68.3
95.04974	18.3
95.08618	36.0
97.06550	9.7
97.10175	5.8
99.08115	3.5
105.07038	60.3
107.04969	12.1
107.08602	26.6
109.06523	27.2
109.10187	9.7
111.08060	5.0
117.07014	14.2
119.08586	41.9
121.06516	4.7
121.10156	17.7
123.08082	9.4
123.11719	6.7
124.08382	2.1
127.07539	2.5
128.06235	2.9
129.06989	10.1
130.07782	2.6
131.08575	13.7
133.10126	22.7
135.08076	4.9
135.11716	9.0
137.09641	2.7
137.30754	2.4
143.08588	9.3
145.10109	19.2
146.10616	2.2
147.08031	3.2
147.11684	35.0
149.09674	7.2
149.13272	4.9
151.11188	2.5
155.08575	2.0
157.10075	3.8
159.11705	11.5
161.09650	4.7
161.13266	7.2
163.11229	8.2
163.14862	2.2
165.12769	6.1
169.10037	2.2
171.11722	19.7
173.13255	6.2
175.11278	2.3
177.12822	2.3
184.07330	2.5
189.12805	7.0
191.14331	2.3
193.12277	2.2
207.13870	17.4
219.13792	2.3
229.15919	2.1
229.19638	2.9
237.16547	2.2
239.18060	2.9
247.20563	4.2
257.13287	2.0
257.19025	6.2
258.61282	2.4
275.20068	76.1
275.23029	4.1
276.20349	2.6
276.39255	2.7
281.17474	73.6
282.17786	3.9
293.21024	12.8
314.93307	2.5
318.86386	2.1
349.23761	21.9
367.24786	19.3
368.25034	2.9
406.26035	2.1
553.43018	2.1
555.28516	3.7
555.36835	56.8
556.37115	8.0
573.37872	35.4
574.38220	4.8
608.43616	4.3
609.27570	3.4
609.44751	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.2
55.01872	11.6
55.05516	62.5
57.03442	13.8
64.05762	8.8
67.05506	92.9
67.74489	9.8
69.07077	29.8
71.28336	10.2
74.48074	8.7
78.54132	8.1
79.05503	98.5
81.03421	21.2
81.07072	84.8
83.04998	24.7
83.08620	37.4
90.51703	8.8
91.05495	95.1
92.05830	12.7
93.07039	100.0
95.04962	70.6
95.08606	54.7
97.06523	14.2
97.10221	12.5
105.07037	70.6
107.04990	16.2
107.08598	39.2
109.06543	19.8
109.10184	23.0
117.07046	26.7
119.08597	34.6
121.10174	18.8
123.08079	12.6
129.06985	18.1
131.08562	17.3
133.05136	8.6
133.10156	32.1
135.08069	11.3
135.11722	20.9
143.08588	18.6
145.10136	39.2
147.08060	10.1
147.11678	45.0
149.09665	15.6
157.10194	14.7
159.11687	16.6
161.13239	13.3
163.11179	25.5
171.11719	38.7
183.11710	14.9
207.13835	22.6
221.13104	10.4
223.13289	38.3
232.55299	10.7
275.19995	67.0
276.20383	9.7
281.17545	63.3
293.21185	29.0
349.23795	17.2
367.24960	24.5
555.36749	42.1
573.37848	66.8
608.43347	64.1
609.26825	29.5
609.44684	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16376	3.9
53.03941	9.7
55.01893	9.2
55.05520	38.6
57.03437	11.0
65.03938	6.6
67.05511	79.0
69.07072	33.8
71.01393	4.8
71.04996	5.1
77.03958	4.9
79.05505	78.3
80.05819	5.0
81.03419	8.4
81.07066	84.4
82.07404	5.9
83.04979	17.3
83.08627	15.1
85.06561	6.2
85.66142	4.0
85.88038	3.9
90.14038	3.5
91.04967	6.7
91.05489	77.3
92.05826	4.5
93.07052	67.1
94.07374	9.0
95.04961	16.0
95.08611	49.2
95.22041	4.0
96.08978	4.4
97.06513	11.7
97.10177	7.6
105.07032	61.4
106.07352	5.0
106.89049	3.9
107.04944	12.6
107.08611	41.8
109.06546	10.8
109.10172	11.8
117.07042	24.9
117.95233	3.6
119.08589	39.1
120.08911	8.5
121.06560	8.8
121.10136	12.3
129.07014	18.4
131.08568	26.0
131.11090	3.8
132.08951	6.9
133.10139	35.2
135.08064	5.3
135.11717	10.7
142.07660	3.7
143.08537	18.0
145.10123	28.5
146.10483	5.7
147.11697	34.4
148.12064	5.3
149.09599	5.6
149.13220	7.0
150.13574	4.6
155.08627	9.4
156.09125	3.8
157.10110	13.7
159.11731	15.8
161.09712	4.9
161.13228	10.7
163.11244	7.2
167.08565	6.4
167.76550	4.1
169.10101	13.1
171.11662	17.7
173.13263	7.7
181.10100	9.9
182.10522	6.0
183.11690	7.3
185.13289	7.7
189.12735	4.7
195.11739	7.9
196.12151	6.0
197.13271	10.0
198.13637	4.8
207.13808	17.6
209.13220	5.1
211.14597	4.7
223.14783	5.0
229.19322	5.6
233.45105	4.1
255.15677	5.0
257.18970	6.2
259.20535	4.8
269.17514	5.7
273.11319	4.2
275.20087	29.0
276.20358	11.0
281.17429	32.6
328.74127	3.8
344.74490	4.2
349.23685	9.1
368.64410	3.8
434.31168	4.6
461.28787	15.4
475.30521	47.1
516.39526	7.8
555.36902	9.9
590.42877	6.9
604.54718	5.0
608.43927	100.0
609.27295	25.8
609.44641	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	609.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59359	1.1
53.03942	4.6
53.35167	1.1
62.37699	1.2
66.61023	1.1
73.04758	1.9
91.05460	13.1
93.07046	20.8
95.04962	4.9
98.23473	2.8
103.05476	16.1
105.04503	2.3
121.06512	100.0
122.06852	3.1
123.04462	1.6
153.01933	1.5
165.97742	1.3
213.06287	1.2
275.09744	1.2
277.05096	1.9
302.04294	1.4
309.06647	1.4
320.05490	3.0
322.20871	1.2
334.07227	2.8
337.05771	2.9
352.08167	23.1
355.07034	3.0
472.13940	96.0
473.14188	10.3
505.19611	1.2
609.22137	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.64757	1.1
55.05508	2.8
62.41642	1.1
63.71432	1.2
67.05512	4.2
69.01014	11.5
69.07067	2.0
79.05503	5.4
81.07064	4.6
83.08614	1.8
91.05489	4.7
93.07037	7.1
95.08618	3.6
97.06506	1.3
98.22638	2.2
105.07040	6.0
107.08601	4.7
109.10166	1.9
117.07050	2.2
119.08598	2.9
121.10133	2.0
131.08591	2.7
131.35201	1.2
133.10155	3.1
139.79549	1.4
143.08545	1.6
145.10152	4.9
147.11722	2.0
169.10126	1.2
186.73091	1.5
239.17850	1.5
253.71469	1.2
257.18945	2.9
275.20145	5.3
276.06839	1.2
315.13342	1.2
351.13113	1.4
377.17752	2.1
391.19266	4.1
392.19934	1.7
405.17068	3.7
405.21515	1.6
406.17560	2.2
407.22458	4.0
410.14209	1.4
411.12891	1.5
419.18646	4.8
420.19199	2.1
421.20251	2.1
433.15863	3.1
433.20465	4.3
434.21146	5.0
435.21893	9.6
447.17636	1.8
447.22745	1.7
448.18802	2.5
449.19867	2.6
461.19431	1.5
462.20203	8.2
463.21289	8.0
468.38104	1.5
475.21405	3.5
489.23029	3.6
507.20358	1.4
521.25568	8.1
549.24884	31.4
550.25323	3.9
581.27954	1.8
609.27045	100.0
609.45038	5.7
610.27167	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03757	0.5
53.03955	6.2
55.01881	4.2
55.05516	19.5
57.03444	3.1
57.07089	2.7
59.05001	0.5
65.03941	4.0
66.04726	1.0
67.05507	45.5
69.03428	1.5
69.07071	14.3
71.04991	2.1
71.08621	0.7
77.03907	1.2
79.05496	58.1
80.05854	1.3
80.06281	0.6
81.03420	2.7
81.07061	100.0
82.07409	2.4
83.04987	3.4
83.08624	9.7
84.46056	0.5
85.06543	2.9
91.05480	37.1
92.05791	0.6
93.07047	39.5
93.97111	0.5
94.07362	0.8
95.01369	1.0
95.04973	8.6
95.08609	29.5
96.08939	0.6
97.06532	4.8
97.10174	2.1
99.08123	2.8
103.05482	1.2
105.04533	2.3
105.07034	29.2
106.07364	0.8
107.04954	6.1
107.05492	0.5
107.07863	1.0
107.08601	24.1
109.06524	33.3
109.10149	9.0
110.06890	0.8
111.08115	2.5
113.09617	0.7
114.77354	0.5
115.05434	1.0
116.06269	1.0
117.07021	9.8
119.08585	25.9
120.08935	1.0
121.06494	4.2
121.10150	18.1
123.04451	0.6
123.08080	4.7
123.11711	4.6
124.16110	0.5
125.09635	0.8
128.06255	0.8
129.07008	4.0
130.07793	1.2
131.08574	14.5
132.08820	0.5
133.06528	1.1
133.10133	15.8
134.10443	0.7
135.08090	3.4
135.11702	8.0
137.09645	2.4
137.13290	0.6
139.11174	0.5
141.07010	1.6
142.07739	0.7
143.08562	3.2
144.09369	0.7
145.06480	0.6
145.10127	14.0
147.08047	1.1
147.11693	12.6
148.12077	0.6
149.09630	4.0
149.13254	11.6
151.07567	0.7
151.11215	1.6
155.08627	2.5
157.10135	4.0
159.08147	0.9
159.11700	8.8
161.09732	1.2
161.13260	5.0
163.11171	3.4
163.14798	4.9
165.12793	2.1
167.08548	0.9
169.10109	2.6
171.11699	3.5
173.09741	0.7
173.13251	5.9
175.11255	1.8
175.14856	1.9
177.12766	2.2
177.16475	0.8
179.14323	1.3
181.10129	1.4
183.11714	2.9
185.13315	2.3
187.11237	0.7
187.14789	3.0
189.12872	0.7
189.16368	0.8
191.14375	1.0
193.10472	0.6
193.12257	2.4
195.11732	0.8
197.13283	2.3
199.14844	1.1
201.12823	1.3
201.16339	0.8
203.17986	0.6
209.13304	0.7
211.14833	1.4
213.16425	0.9
215.17998	1.2
217.15977	0.6
219.13866	0.8
219.17516	1.3
223.14998	0.8
229.19513	4.3
239.18001	2.7
247.20555	6.5
257.19012	5.2
259.20526	0.9
261.22272	2.1
275.20068	55.1
276.20465	3.9
277.21524	1.1
280.26108	0.5
285.01062	0.5
293.21161	7.6
317.24774	1.0
322.21149	0.6
331.22910	0.6
333.24142	0.6
335.25967	1.5
349.23773	2.1
411.10147	0.5
517.40234	0.8
535.41833	1.7
553.42914	1.5
609.45111	46.3
610.45447	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82376	0.9
53.03943	3.1
55.01869	2.5
55.05513	21.7
57.03429	5.1
57.07069	3.1
57.17521	0.9
58.19978	1.3
65.03935	2.6
67.05508	36.4
69.03438	1.6
69.07072	17.8
69.18923	8.7
70.73820	1.1
71.04982	1.8
73.04762	1.4
79.05491	25.1
81.03410	1.1
81.07056	36.2
83.04989	2.0
83.08625	10.6
85.06538	2.6
91.05463	25.4
93.07048	26.1
95.04973	2.6
95.08610	27.5
97.06558	3.3
97.10165	3.5
98.22628	2.0
105.07032	25.3
107.08595	16.9
109.10167	13.4
111.08115	1.8
115.05515	1.5
117.07035	15.5
119.08575	17.9
119.09369	1.9
121.10137	11.4
123.08083	1.6
123.11707	3.8
124.59093	1.1
125.05755	1.2
125.09666	1.9
128.06221	4.4
129.07016	18.6
130.07835	1.2
131.08565	21.2
133.10132	14.5
135.08075	1.3
135.11716	5.2
137.09633	1.1
139.11194	1.8
141.06995	9.7
142.07796	4.8
142.16388	1.0
143.08577	20.7
145.10123	20.1
145.11276	1.6
147.11688	9.5
149.13295	3.8
153.07021	2.5
154.07878	1.7
155.08553	18.7
156.09306	2.4
157.10130	20.5
158.10757	1.0
159.11703	13.3
161.13275	5.4
163.14833	2.8
165.07060	1.6
167.05573	1.7
167.08557	7.8
168.09392	3.3
169.10129	21.2
170.10902	1.7
171.11691	15.6
173.13290	9.3
175.14844	2.8
179.08664	3.1
180.09328	1.5
181.10106	12.5
182.10878	2.9
183.11682	19.7
184.12126	1.2
185.13248	12.1
187.14923	4.8
189.16367	2.0
193.10173	4.4
195.11731	12.2
196.12367	2.1
197.13255	18.4
198.13829	1.3
199.14867	8.4
201.16464	2.9
207.11751	4.1
209.13231	11.0
210.13864	1.4
211.14836	9.6
213.16452	5.5
219.11899	1.6
221.13324	5.0
223.14804	8.0
225.16408	8.6
226.16960	1.5
227.18082	2.9
233.13289	2.2
235.14856	3.8
237.16386	5.4
239.09521	1.4
239.18001	3.7
241.19589	2.5
247.14946	1.2
249.16447	2.7
251.17969	3.2
253.19589	2.2
259.20621	1.2
263.17999	1.8
265.19766	2.2
267.21289	1.5
279.20999	1.4
281.22385	1.2
283.20679	1.2
287.23044	1.2
293.22742	1.6
297.22244	1.4
299.23920	1.3
309.22003	1.3
323.23676	2.4
331.23077	1.1
337.01730	1.2
337.25330	2.5
349.25400	1.5
351.26880	3.6
355.07050	1.8
363.26794	2.0
393.31891	1.6
421.31021	1.3
435.32727	1.2
437.33981	1.4
447.32584	2.5
449.34085	1.4
461.34723	1.4
465.34131	1.6
499.39853	2.6
501.36136	1.6
517.40472	14.7
518.40686	1.7
535.41437	8.7
539.37268	1.7
573.42914	2.0
591.44110	13.0
592.44495	2.6
609.45129	100.0
610.45404	16.6
616.84882	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.6
53.03945	9.7
55.01886	10.7
55.05246	1.6
55.05515	29.0
57.03427	5.0
57.07078	2.3
65.03934	7.2
65.20805	1.7
65.32801	1.5
67.05508	80.6
69.03447	1.8
69.07069	35.8
69.07995	14.5
71.05001	4.0
71.08635	1.9
79.05499	84.3
81.03413	5.6
81.07060	100.0
82.07410	2.6
83.04984	11.3
83.08626	14.0
85.06541	5.6
91.05482	86.2
93.07047	76.5
95.01350	9.8
95.04982	18.1
95.08611	62.3
97.06536	15.6
97.10185	3.6
99.04444	2.0
99.08098	2.6
103.05469	2.3
105.04552	3.7
105.07034	81.2
107.04969	21.1
107.08598	36.1
109.06519	16.3
109.10145	16.6
111.08083	4.7
115.05486	2.6
117.07018	19.0
119.08594	44.1
121.06522	2.8
121.10157	24.0
123.08064	7.6
123.11694	3.2
125.09612	1.7
128.06181	1.9
129.07033	5.8
131.08563	32.1
133.09293	1.8
133.10133	48.1
135.08095	4.9
135.11707	16.5
137.09654	5.0
141.06996	1.9
143.08527	4.8
145.06430	2.7
145.10120	26.5
147.08090	2.3
147.11691	16.5
149.09637	6.1
149.13252	8.0
151.11131	1.8
157.10143	5.5
157.68796	1.6
159.11731	15.4
161.13264	9.0
163.11224	2.5
163.14874	2.6
165.09100	1.8
169.10156	4.3
171.11748	4.8
171.55063	1.6
173.13277	4.1
175.14873	2.1
177.12767	5.2
179.14302	14.3
183.11711	3.7
185.13225	2.9
187.11282	2.2
195.13640	1.8
197.13245	3.5
201.16383	1.9
203.14299	2.6
219.17436	43.3
220.17830	2.3
229.19571	2.6
239.18022	3.3
247.20540	4.1
257.19144	8.4
275.20065	79.8
276.20416	6.0
293.21130	6.4
307.01651	1.7
349.23853	4.2
355.06818	3.1
424.98456	1.6
511.37579	2.3
576.80707	1.7
609.35583	2.7
609.45215	48.6
610.45459	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01880	1.8
55.05515	16.2
56.58561	1.2
57.03444	3.4
57.07077	3.8
65.03943	2.2
67.05510	40.9
69.07069	16.1
69.09509	8.1
71.05002	2.1
71.08640	1.7
74.88386	1.2
79.05499	26.8
81.07057	34.0
83.05000	2.4
83.08619	6.1
85.06563	1.2
91.05463	24.9
93.07051	24.0
95.04984	3.6
95.08605	26.9
95.09164	2.0
96.92731	1.3
97.06554	2.6
97.10172	4.2
98.23363	2.7
99.08117	1.4
105.07041	22.7
105.07691	2.2
107.04948	1.6
107.08598	14.6
109.06557	1.4
109.10167	10.3
115.05507	1.4
117.07013	11.0
119.08577	23.1
119.09349	2.0
121.10136	13.1
122.05096	1.2
123.11749	3.4
124.00634	1.1
124.78423	1.3
125.09613	1.5
128.06238	4.3
129.07014	14.1
129.07903	1.6
130.07843	2.1
131.08569	18.8
131.21754	1.2
133.10121	14.1
135.11679	6.4
141.07011	6.8
142.07796	3.6
143.08577	16.4
144.09372	1.3
145.10135	17.4
147.11682	5.9
149.13278	4.5
153.07043	2.6
154.07767	2.1
155.08565	13.5
156.09283	2.0
157.10135	15.9
159.11690	11.3
161.13286	4.4
167.08554	6.7
168.09372	1.9
169.10123	13.8
170.10869	2.0
171.11670	11.0
173.05852	1.1
173.13284	10.0
175.14882	2.3
179.08609	1.9
179.14346	1.6
180.09325	1.5
181.10153	8.2
183.11703	15.2
185.13266	9.4
187.14899	3.9
193.10182	2.7
195.11653	6.9
197.13286	10.5
199.14833	6.1
201.16473	2.0
207.11789	3.4
209.13248	5.7
211.14859	5.3
213.07918	1.3
213.16441	4.1
215.17973	2.5
221.13315	3.6
223.14871	5.3
225.16455	4.0
227.18112	2.1
229.19388	1.5
235.14876	2.3
237.16452	5.4
239.18048	2.8
251.18016	2.5
253.19659	2.0
257.19003	1.8
263.18146	1.3
267.21393	1.8
275.20190	4.4
279.21182	1.5
285.22018	1.9
323.23822	1.4
327.23502	1.5
337.25378	1.7
351.26776	2.7
353.24615	1.6
363.27026	1.6
365.28741	1.6
399.28436	1.4
450.03455	1.2
499.39603	2.6
517.40271	9.8
518.41528	1.6
535.41522	4.8
536.42218	1.4
539.37463	2.7
540.37854	2.3
591.44244	10.6
592.44019	1.8
609.45148	100.0
610.45581	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01632	0.6
53.03950	1.3
55.01873	2.0
55.05515	16.2
57.03434	4.0
57.07089	2.6
62.94726	0.5
65.03947	1.9
67.05507	28.7
69.07073	13.7
70.54868	0.8
71.04992	2.0
71.08626	0.9
78.80170	0.5
79.05496	20.6
81.03409	0.7
81.07059	28.4
82.07386	1.1
83.04984	1.7
83.08614	7.9
85.06543	1.7
91.05469	16.5
93.07047	19.9
95.04983	2.2
95.08610	23.7
96.08944	0.7
97.06540	3.0
97.10177	4.4
99.08135	0.9
105.04539	0.7
105.07035	18.2
107.08592	11.1
109.06517	0.8
109.10159	11.4
111.08108	1.7
111.11750	0.6
115.05487	2.0
117.07018	11.2
119.08585	16.6
120.08913	0.7
121.10150	9.5
123.08099	1.5
123.11701	2.8
125.09654	2.1
128.06227	4.1
129.07018	14.4
130.07715	0.8
131.08565	16.0
133.10127	11.2
134.10425	0.7
135.11714	5.6
137.13261	0.9
141.06981	7.2
142.07785	3.7
143.08560	15.8
144.09241	0.7
145.10127	15.2
146.10608	0.6
147.11674	7.7
149.09650	0.8
149.13251	4.1
153.07025	2.1
154.07782	1.9
155.08549	14.2
156.09317	2.2
157.10129	17.3
157.11427	0.9
158.10669	0.6
159.11694	12.3
159.12981	0.8
161.13274	4.3
163.11209	1.0
163.14856	0.9
164.68292	0.5
165.07076	1.4
166.07855	2.0
167.05573	0.7
167.08548	6.6
168.09286	2.9
169.10147	16.6
169.11519	1.1
170.10719	1.7
171.11696	16.0
172.12085	0.8
173.13271	7.0
175.14856	2.2
177.16365	0.8
178.07838	1.0
179.08487	2.9
180.09419	0.8
181.10115	9.7
182.10858	1.8
183.11710	17.8
184.12160	0.7
185.13252	10.6
187.14845	4.4
189.16423	2.0
193.10123	4.2
194.10980	1.6
195.11703	11.5
195.13515	0.6
196.12334	1.2
197.13257	11.6
197.14888	0.5
198.13747	1.1
199.14839	8.4
201.16336	2.8
203.18001	0.8
205.10133	1.5
207.11760	3.7
208.12518	1.1
209.13290	9.3
210.13916	1.1
211.14809	9.6
213.14813	0.7
213.16478	5.1
215.17960	1.7
217.19463	0.6
219.11766	1.2
221.13278	4.3
222.13948	0.7
223.14832	6.5
225.16397	6.8
227.18018	4.6
229.19511	1.0
235.14824	3.5
236.15323	0.6
237.16394	4.9
239.09479	0.8
239.18025	4.3
241.19608	2.3
247.14771	1.1
249.16481	2.3
251.18013	2.9
253.19630	2.1
257.18961	0.9
259.20361	0.8
263.18094	1.5
265.19574	1.8
267.21155	1.6
269.19000	1.2
275.20203	1.0
277.19653	0.8
279.21118	1.7
281.22641	0.8
283.20459	0.8
285.18845	0.6
285.22095	0.7
286.93765	0.7
291.20868	0.7
293.22794	0.7
295.20587	1.3
295.24063	0.9
297.22235	0.7
299.20145	0.8
301.21359	1.0
307.20554	0.9
309.22070	1.0
311.20172	0.6
311.23758	1.0
315.23410	0.6
321.22119	1.6
323.23734	1.4
325.21707	1.0
325.25275	0.6
335.23880	1.9
337.25345	1.7
341.24814	0.8
349.25354	1.5
351.26874	2.9
353.25137	1.2
355.07007	2.0
355.26312	0.6
363.26868	0.9
365.28629	1.5
375.26743	0.8
377.28632	1.1
379.25833	0.7
379.30136	1.5
383.29453	0.8
391.29999	1.6
393.27341	0.7
393.31812	1.1
395.29669	0.7
403.30276	1.0
405.31659	1.1
407.28976	0.8
409.31052	1.1
421.31061	1.0
425.30331	1.0
431.32962	0.7
433.30566	0.8
435.32361	0.7
447.32327	1.5
449.33994	1.1
461.34067	1.0
475.35437	1.0
487.34384	0.8
499.39597	2.5
500.39294	0.7
515.37799	1.0
517.40436	15.5
518.40656	2.7
525.35815	0.8
535.41541	7.1
536.41608	0.9
539.37292	1.3
540.37878	0.8
567.40265	1.1
573.42804	1.3
591.44055	13.8
592.44446	2.8
609.45135	100.0
610.45508	17.6
636.81586	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	610.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06009	1.6
55.05500	1.6
57.07064	1.5
67.05502	5.2
69.07045	1.6
70.44927	2.3
73.04761	46.8
75.02647	1.6
75.45924	1.4
79.05491	3.4
81.07054	5.3
91.05799	100.0
92.05739	1.9
93.03714	1.7
93.07045	2.5
95.08588	2.9
105.07035	2.3
107.08606	1.5
114.07363	7.7
121.10134	2.2
131.08572	1.4
135.11702	1.5
149.04503	6.3
167.05548	28.3
221.08459	4.0
225.04305	8.3
239.09480	35.0
240.09627	2.6
245.00453	1.4
266.99878	8.8
268.97800	17.3
275.19965	1.8
281.04861	1.9
283.03015	8.2
285.00974	32.9
286.01212	2.9
299.06165	36.8
300.06296	2.4
303.02048	4.7
342.59497	1.6
344.97467	8.3
355.06979	92.2
356.06921	11.3
371.10287	2.7
373.07788	9.7
400.98343	2.4
402.96234	6.6
415.03314	7.3
418.99652	11.3
419.99869	1.7
489.05365	1.9
524.53522	1.3
609.44971	1.6
610.44543	2.5
611.47076	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	610.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01876	1.2
55.05505	1.8
57.03432	0.8
58.63276	0.6
61.02911	0.9
67.05516	3.9
69.03420	3.8
69.07070	7.2
70.06579	4.3
70.26231	1.9
71.01324	1.4
72.08135	1.2
73.04747	3.5
78.40348	0.7
79.05492	9.7
79.30339	0.9
81.03412	2.5
81.07076	4.4
83.04977	4.8
85.02912	7.4
85.06528	1.1
86.09702	1.4
91.05458	4.3
91.05838	2.7
92.05751	1.2
93.07048	11.0
95.04972	4.9
95.08605	3.4
95.66203	0.9
97.02873	4.0
97.06527	10.5
99.04462	3.5
101.06033	0.8
105.07032	13.4
107.04956	10.2
107.08597	12.3
109.02869	1.5
109.06524	2.7
110.07117	0.8
111.08059	1.0
115.07615	0.9
117.07030	3.8
119.04918	0.8
119.08568	4.7
121.06520	12.4
121.10111	1.7
125.06001	7.9
127.03938	2.1
129.07021	1.0
130.07768	2.1
131.08598	2.5
133.06496	3.7
133.10130	1.5
135.08043	2.7
135.11691	4.1
136.07648	0.9
137.05959	2.0
139.07552	4.0
141.06932	0.9
143.07034	8.5
143.08554	2.7
145.04976	2.7
145.06476	2.3
145.10129	30.8
146.10480	0.9
147.11696	4.4
148.08934	1.0
151.07593	1.5
154.07834	1.1
158.07257	2.0
159.08040	2.4
159.11708	6.8
161.09642	1.2
161.13257	1.2
163.11186	100.0
164.11510	2.7
167.05583	2.1
169.10126	2.9
171.11688	1.1
173.09627	24.8
174.09955	1.3
177.12715	1.5
181.12199	1.3
187.11191	12.3
188.11453	0.9
189.12776	2.8
191.10686	17.1
197.09647	2.7
205.12227	10.3
207.13728	0.9
209.11765	1.3
215.10667	12.1
233.11729	61.6
234.12086	2.8
239.09489	1.7
251.12820	10.7
266.99707	1.0
268.97745	1.1
269.13846	14.8
283.02979	0.8
285.01028	2.0
299.06146	1.8
303.04984	11.4
314.85934	0.9
326.61880	0.8
355.07031	5.9
356.07272	1.5
373.07813	0.9
504.22153	0.8
536.44287	0.8
636.08612	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	610.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01876	1.2
55.05505	1.8
57.03432	0.8
58.63276	0.6
61.02911	0.9
67.05516	3.9
69.03420	3.8
69.07070	7.2
70.06579	4.3
70.26231	1.9
71.01324	1.4
72.08135	1.2
73.04747	3.5
78.40348	0.7
79.05492	9.7
79.30339	0.9
81.03412	2.5
81.07076	4.4
83.04977	4.8
85.02912	7.4
85.06528	1.1
86.09702	1.4
91.05458	4.3
91.05838	2.7
92.05751	1.2
93.07048	11.0
95.04972	4.9
95.08605	3.4
95.66203	0.9
97.02873	4.0
97.06527	10.5
99.04462	3.5
101.06033	0.8
105.07032	13.4
107.04956	10.2
107.08597	12.3
109.02869	1.5
109.06524	2.7
110.07117	0.8
111.08059	1.0
115.07615	0.9
117.07030	3.8
119.04918	0.8
119.08568	4.7
121.06520	12.4
121.10111	1.7
125.06001	7.9
127.03938	2.1
129.07021	1.0
130.07768	2.1
131.08598	2.5
133.06496	3.7
133.10130	1.5
135.08043	2.7
135.11691	4.1
136.07648	0.9
137.05959	2.0
139.07552	4.0
141.06932	0.9
143.07034	8.5
143.08554	2.7
145.04976	2.7
145.06476	2.3
145.10129	30.8
146.10480	0.9
147.11696	4.4
148.08934	1.0
151.07593	1.5
154.07834	1.1
158.07257	2.0
159.08040	2.4
159.11708	6.8
161.09642	1.2
161.13257	1.2
163.11186	100.0
164.11510	2.7
167.05583	2.1
169.10126	2.9
171.11688	1.1
173.09627	24.8
174.09955	1.3
177.12715	1.5
181.12199	1.3
187.11191	12.3
188.11453	0.9
189.12776	2.8
191.10686	17.1
197.09647	2.7
205.12227	10.3
207.13728	0.9
209.11765	1.3
215.10667	12.1
233.11729	61.6
234.12086	2.8
239.09489	1.7
251.12820	10.7
266.99707	1.0
268.97745	1.1
269.13846	14.8
283.02979	0.8
285.01028	2.0
299.06146	1.8
303.04984	11.4
314.85934	0.9
326.61880	0.8
355.07031	5.9
356.07272	1.5
373.07813	0.9
504.22153	0.8
536.44287	0.8
636.08612	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	611.1397
Annotation	56343-26-1
Peak:m/z	Relative Intensity
51.08553	0.5
63.31462	0.3
63.55101	0.3
65.03945	1.2
68.99806	0.4
69.14555	2.0
81.03451	0.3
91.05483	9.0
92.05795	0.3
107.52211	0.3
109.02854	0.3
110.47399	0.3
119.04952	21.2
120.05269	0.6
121.02904	0.4
121.06516	0.4
126.31715	0.3
137.02338	1.3
147.04417	100.0
148.04738	4.0
151.03914	0.3
153.01863	1.7
155.06044	0.3
163.03963	0.4
165.01813	0.7
165.05486	0.6
173.05995	0.4
187.03918	0.4
201.05499	1.1
229.04947	1.8
249.07820	0.3
257.04355	1.6
285.04047	0.8
297.07513	1.1
303.04999	40.2
304.05341	2.6
309.09769	3.8
345.05844	0.6
455.96292	0.3
476.55496	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	611.1399
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
50.01596	0.5
51.02377	0.8
53.03949	1.9
55.01855	1.0
65.03929	2.2
68.99786	0.6
69.03420	0.3
71.30807	0.3
73.04723	0.5
74.64634	0.3
77.03913	1.0
79.05482	0.5
81.03407	0.6
91.05473	24.2
92.05795	0.7
93.03416	0.4
93.07045	17.8
95.04971	3.9
102.04724	0.3
103.05472	13.8
105.04533	1.6
107.04985	0.6
109.02837	0.4
111.00751	0.4
111.04473	0.4
113.31370	0.3
117.03370	0.6
119.04947	32.4
119.70233	0.3
120.05233	0.9
121.02859	0.8
121.06508	100.0
122.06854	2.0
123.04403	0.7
125.05985	1.1
131.04907	0.7
135.04424	1.4
137.02361	2.5
137.05956	0.4
138.05464	0.5
141.03363	0.9
145.02853	1.0
145.06555	0.3
146.05934	0.6
147.04410	94.5
148.04732	3.2
149.02373	0.5
151.03903	0.5
153.01830	3.3
159.04349	0.7
161.05940	0.3
163.03906	1.0
163.61659	0.3
164.07065	5.3
165.01799	1.7
165.07243	0.3
167.05621	0.5
167.07059	0.6
167.08542	0.3
173.05960	0.5
175.03763	0.3
177.05479	5.7
177.06947	0.5
181.04958	0.9
181.06474	1.5
183.02866	0.5
187.03833	70.1
188.04172	2.3
191.07030	0.2
195.02882	0.4
195.08160	0.6
197.06134	0.4
201.05463	2.1
205.04764	0.5
205.06505	3.7
207.06396	0.3
207.08167	0.4
209.05832	0.3
210.06793	0.5
212.03381	0.6
219.06445	0.4
220.05217	1.7
221.05991	12.5
222.06541	1.1
223.07520	10.0
223.09636	0.5
224.59277	0.3
229.04936	3.9
230.04410	2.5
231.04530	0.3
233.06006	2.5
234.06612	0.4
235.07530	4.0
237.05421	0.5
237.09085	0.5
238.06223	1.0
239.03372	0.3
239.09567	0.3
247.06088	0.7
248.04768	0.8
249.05467	18.2
250.06200	2.0
251.07034	20.0
252.07558	1.5
257.04391	1.7
258.11224	1.2
263.06989	2.7
265.08591	0.8
266.05746	5.5
268.07309	9.5
269.07672	0.6
272.12711	0.4
274.04715	0.8
277.04962	17.7
278.05313	0.6
280.07132	0.4
281.08023	1.8
283.09650	7.0
284.10080	0.5
285.01053	0.4
285.03973	0.7
285.07407	0.6
291.08524	0.7
294.05231	2.0
299.06110	0.4
299.09100	3.7
300.09677	0.3
303.04984	62.3
304.05347	3.4
309.07547	53.0
310.07904	2.5
313.07114	0.9
326.10144	0.6
331.08035	0.3
345.06070	0.5
350.10226	16.0
351.10571	1.0
355.08044	1.4
356.07074	0.9
446.15991	43.6
447.16364	2.7
474.15497	58.6
475.15793	4.2
611.21558	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	611.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03938	0.5
57.03421	0.3
63.39224	0.2
65.03940	1.9
67.05486	0.3
68.22040	0.2
69.03439	1.2
69.33149	0.2
69.33481	1.3
73.04739	0.3
81.03423	4.2
85.02914	1.2
89.03941	0.3
91.05479	11.8
92.05827	0.3
93.03394	0.2
93.07051	0.6
95.04986	0.4
97.02892	0.8
99.04446	0.4
103.05470	0.6
107.04985	0.3
108.02122	0.2
109.02884	1.2
111.00810	0.2
111.04436	0.5
117.03361	0.3
119.04947	24.8
120.05289	0.6
121.02863	0.2
121.06503	4.0
123.04440	0.3
125.06043	0.4
127.03898	0.7
131.63354	0.2
135.04387	0.7
137.02345	0.8
145.02820	0.8
147.04413	100.0
148.04755	2.8
151.03917	16.3
151.04993	1.0
151.07439	0.2
153.01834	0.9
163.03909	6.5
165.01871	0.5
165.05486	3.3
167.05569	0.2
167.07089	0.3
169.04948	1.9
177.05470	0.4
183.03011	0.2
187.03882	1.1
201.05495	0.6
210.81563	0.2
229.05060	0.9
239.09406	0.2
250.04199	0.2
251.06937	0.3
257.04376	0.8
274.04684	0.2
285.00931	0.2
285.04102	0.3
291.08618	5.2
295.08127	1.6
300.12338	3.4
301.03482	0.2
302.04227	0.6
303.04993	17.8
304.05325	0.9
308.51733	0.2
309.10068	1.4
313.09271	1.0
317.06580	1.0
350.10352	0.3
356.07092	0.4
446.15863	0.7
474.15659	1.0
479.11484	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	611.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.9
55.01888	2.1
65.03950	1.8
67.01863	0.6
67.05505	0.9
68.99793	7.3
70.69956	0.9
73.04757	1.0
81.03416	2.8
84.49671	0.6
91.05836	1.1
93.87345	0.7
95.04993	1.3
97.02879	0.7
99.04453	1.1
105.03419	0.9
109.02886	3.9
111.00813	6.4
111.04436	2.2
119.04915	1.1
121.02870	1.6
123.04436	12.5
127.03926	100.0
128.04263	1.6
133.02834	1.7
135.04410	2.0
139.03911	98.7
140.04256	2.1
145.06459	0.7
147.04395	6.0
149.02423	1.3
151.03914	32.5
153.01819	1.4
153.05428	1.0
155.03462	1.5
159.04408	1.8
161.05977	1.5
162.00566	0.6
163.03914	8.1
165.05473	2.5
167.03445	4.3
169.04968	1.9
171.04364	1.7
173.05977	0.7
175.03917	13.5
176.04213	0.8
177.05498	5.1
178.24939	0.6
179.03407	36.8
181.04973	4.7
183.04373	1.1
185.05998	1.6
187.03903	2.0
189.05453	4.0
191.03401	12.5
193.04990	4.4
197.05811	0.8
199.03902	2.5
201.05496	4.3
203.03395	18.0
203.07033	0.8
204.03912	0.8
205.04976	2.4
211.03918	0.9
213.05505	3.5
213.66809	0.5
215.03464	1.0
217.05002	4.5
219.06540	0.7
227.03415	1.5
229.04987	5.0
231.06506	2.8
233.04512	5.6
241.04907	2.3
245.04500	10.6
247.05896	1.0
251.05428	1.1
253.05011	0.8
257.04480	12.7
258.04962	0.7
259.06082	3.4
263.05533	16.7
269.04440	3.9
271.05972	2.6
275.05533	17.2
276.05746	1.2
281.04605	0.9
287.05508	41.0
288.05765	1.9
289.07010	2.6
299.05521	16.2
300.05942	1.4
301.06808	0.8
305.06628	9.3
307.08087	8.0
317.03195	1.1
317.06577	16.4
318.06775	0.8
329.06613	0.7
355.06674	1.0
356.06955	1.2
407.07468	1.8
425.08704	17.1
443.09714	10.1
467.09500	1.1
491.73520	0.7
510.78860	0.6
568.83582	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	611.1396
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
51.02402	0.5
52.00063	0.4
53.00332	0.6
53.01555	0.5
53.03960	0.7
55.01873	1.2
65.03947	1.2
67.01866	1.1
67.05503	1.1
68.99793	7.3
70.54188	1.3
70.54525	0.6
73.04791	0.6
81.03412	3.2
83.04955	0.6
95.04958	1.2
99.04444	1.4
105.03383	1.1
107.04972	0.9
109.02865	4.9
111.00802	7.0
111.04457	1.6
119.04961	1.1
121.02897	1.7
123.04440	11.9
125.02444	0.5
127.03920	99.9
128.04242	2.3
129.07051	0.7
131.04898	0.7
133.02846	2.9
135.04422	3.4
137.05931	0.6
139.03906	100.0
140.04233	2.5
147.04404	6.3
147.70319	0.6
149.02356	1.9
149.05984	0.7
151.03914	29.1
152.04250	0.9
153.01849	0.9
153.05487	1.2
155.03371	1.0
157.02827	0.9
157.06551	0.7
159.04410	1.5
161.06000	1.2
163.03906	8.3
165.05444	2.5
167.03400	4.5
169.04974	1.7
171.04474	1.4
173.06003	0.9
175.03915	14.7
177.05510	4.7
179.03400	37.1
180.03766	1.7
181.04994	4.4
183.04265	1.0
185.05930	1.3
187.03896	1.0
189.05492	3.6
191.03416	7.8
193.04951	2.8
195.06436	0.6
197.06032	0.9
199.03865	3.0
201.05548	4.1
203.03397	18.0
204.03732	1.0
205.04984	2.3
213.05452	5.0
215.03479	1.3
217.04977	3.5
218.05634	0.5
219.06528	0.9
221.04378	0.7
225.05479	1.8
227.03365	1.1
229.04977	5.2
231.06549	2.4
233.04474	4.5
241.04974	2.5
245.04468	8.8
246.04756	0.6
247.06094	0.7
253.04901	1.1
257.04413	10.3
258.05118	1.5
259.06186	2.5
263.05508	16.4
269.04391	2.8
271.06042	2.8
275.05502	17.0
276.05789	0.7
277.06912	0.9
281.04636	0.6
286.43784	0.6
287.05493	41.2
288.05841	2.1
289.07053	2.3
299.05490	16.7
300.05878	1.2
305.06570	9.7
307.08133	9.7
308.08371	0.7
317.06558	16.5
318.06839	1.1
407.07547	1.3
425.08728	18.9
425.14572	0.9
426.08566	1.1
443.09790	7.2
444.09924	0.8
467.09476	1.4
541.10291	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	611.14
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.03959	0.3
56.97963	0.3
67.01843	0.6
68.99787	0.9
69.18279	0.6
69.18688	1.3
70.06576	0.3
73.04756	0.7
74.82656	0.3
76.01077	0.3
79.05471	0.6
79.64719	0.3
81.03427	1.4
89.03905	1.6
91.05830	2.0
91.10472	0.4
95.04939	0.4
98.22668	0.7
107.04950	0.6
109.02880	0.3
110.45746	0.4
111.04377	0.3
117.03384	1.9
120.53870	0.3
121.06512	0.6
127.03926	0.4
129.01810	0.3
134.71825	0.3
135.04422	4.7
137.02339	0.9
144.19652	0.3
145.02831	2.3
153.01834	7.3
159.45291	0.3
161.02364	1.0
163.03914	21.4
164.04243	0.9
167.05580	0.4
171.02905	1.3
179.03433	0.5
181.04962	0.5
183.02338	0.3
201.05515	0.3
219.06270	0.4
239.09425	0.4
240.09586	0.4
241.04913	1.3
247.76649	0.3
269.04294	0.5
286.00809	0.4
287.05502	100.0
288.05844	5.8
307.08194	1.8
325.09177	0.5
327.44397	0.3
355.06958	0.8
356.07190	0.8
474.15872	0.4
519.88556	0.3
529.54669	0.3
621.60944	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	611.1609
Annotation	Isorhamnetin 3-xylosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03419	0.7
60.83172	0.3
61.02913	0.4
69.03264	1.3
69.03675	0.7
71.63089	0.3
73.02885	1.4
73.04713	0.5
85.02914	1.6
91.05765	1.2
95.04972	0.3
97.02866	0.7
110.03650	0.5
115.05463	0.3
121.06499	1.5
123.04483	0.4
127.03914	0.8
135.04366	0.3
137.02324	1.5
137.05940	0.5
137.09569	0.4
139.03911	1.4
147.04385	0.4
149.04584	0.4
149.05899	0.3
153.01851	4.6
163.03896	1.4
177.05405	0.4
181.04944	0.3
200.04674	0.5
201.05434	0.7
204.04161	0.7
205.04822	0.7
228.04190	2.4
229.04994	1.4
234.98706	0.3
239.09601	0.3
245.04500	1.0
246.05391	0.4
256.03644	0.7
257.04492	1.2
271.05942	0.4
273.03937	0.9
274.04709	5.2
275.05191	0.7
285.01086	0.4
285.03870	1.5
286.00629	0.3
287.05551	3.6
289.07062	0.5
299.05972	0.4
300.06177	0.7
301.03403	11.3
302.04205	65.9
303.04581	4.3
317.06555	100.0
318.06873	6.2
355.07117	0.7
356.07004	0.5
449.10791	59.9
450.11121	4.9
479.11932	2.2
544.58118	0.3
593.25696	0.4
605.73187	0.3
611.15430	1.7
611.25928	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	611.1608
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03442	1.8
61.02919	0.4
68.99809	0.6
69.03424	1.4
69.07081	0.6
70.06588	1.3
71.01343	0.4
71.04995	11.3
73.02928	0.7
73.04764	0.6
75.04482	0.5
79.05500	0.6
81.03416	0.8
81.07037	0.5
83.04980	0.9
85.02906	14.0
86.09731	0.6
87.04482	0.4
91.03979	0.3
91.05817	0.6
93.03428	0.5
93.07088	0.5
97.02892	1.5
97.06509	0.5
99.04459	0.4
101.55627	0.3
105.07042	0.9
109.02888	0.7
111.00799	0.8
111.04427	0.7
121.02876	0.9
121.06483	0.8
123.04403	0.5
125.06017	0.5
127.03930	0.8
129.05481	3.5
135.07990	0.3
137.02327	2.5
139.03905	1.3
145.04982	0.7
145.10135	1.7
146.10463	0.4
147.06526	0.6
147.11726	0.4
153.01828	4.5
159.11595	0.4
163.03868	0.3
163.11211	1.7
164.11496	1.0
165.01860	2.0
173.09641	0.9
174.10001	0.7
181.12254	0.4
185.79141	0.4
187.11153	0.4
201.05453	1.0
205.12115	0.4
216.11133	0.6
221.19957	0.4
229.04927	4.0
229.57889	0.4
233.11794	1.3
234.12166	1.2
245.19370	0.3
247.06052	0.6
251.12769	1.1
252.13139	0.8
257.04446	2.2
274.04739	0.4
285.01126	0.4
285.03964	1.4
287.05688	0.4
303.04993	100.0
304.05365	5.5
334.42865	0.4
355.07016	0.5
357.94827	0.4
366.67664	0.4
388.16702	0.3
448.43591	0.4
465.10400	0.5
468.44098	0.3
595.79968	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	611.1608
Annotation	Isorhamnetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.64513	0.2
57.03411	0.6
66.01059	0.3
69.03410	0.2
69.06236	1.0
69.06658	0.9
73.02916	1.4
73.04731	0.3
76.62272	0.2
83.43727	0.2
85.02898	0.4
91.05784	0.5
97.02864	0.4
100.43246	0.2
110.03641	0.5
121.06495	0.3
123.04362	0.3
137.02342	1.4
137.05968	0.2
139.03885	0.5
140.56969	0.2
151.03885	0.2
153.01881	1.9
163.03917	0.3
193.01476	0.3
200.04646	0.3
204.04257	0.5
218.38347	0.2
225.32607	0.2
228.04169	2.2
229.04968	1.1
245.04512	1.0
247.06187	0.2
256.03644	0.8
257.04465	1.4
273.03992	0.7
274.04718	4.6
275.04977	0.3
285.03946	1.2
287.05643	0.2
289.07053	0.4
301.03436	10.2
302.04205	68.6
303.04572	4.3
311.67032	0.2
317.06552	100.0
318.06912	6.5
323.27747	0.3
329.06519	0.4
356.07254	0.4
449.10788	71.9
450.11108	5.5
479.11780	0.4
611.16180	1.9
611.25641	0.4
612.17029	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	611.1609
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03942	0.4
55.01854	0.4
57.03442	2.9
62.44531	0.3
65.03952	0.4
68.99815	0.8
70.92371	0.5
71.04996	18.5
73.04778	0.5
74.08033	0.4
75.04485	0.7
81.03417	0.7
83.04932	0.5
85.02907	20.1
86.83370	0.3
87.04459	0.7
91.05785	1.9
94.93391	0.3
100.50576	0.3
109.02893	0.4
111.00806	0.8
117.03397	0.4
117.28476	0.3
121.02900	0.8
127.03925	0.5
129.05473	5.8
137.02321	3.1
145.02869	1.3
147.06500	0.7
153.01825	3.8
163.03954	0.9
165.01836	2.4
167.05644	0.5
173.06003	0.4
177.05453	1.3
183.02913	0.8
191.03220	0.4
197.12849	0.3
201.05443	1.0
215.03476	0.4
221.00766	0.4
229.04973	3.3
239.09291	0.4
244.22031	0.4
247.06035	0.7
257.04431	2.2
274.04608	0.8
285.01123	0.5
285.04050	1.3
286.00986	0.6
287.05466	0.8
299.05899	0.4
303.04984	100.0
304.05273	5.4
305.02835	0.3
345.06049	0.4
355.06909	0.6
356.06934	1.0
415.69403	0.3
449.14069	0.6
465.10312	13.1
466.10684	1.0
483.07544	0.5
484.08090	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	611.2129
Annotation	2,4-Divinylprotochlorophyllide
Peak:m/z	Relative Intensity
50.01634	0.8
51.34172	0.8
53.03954	2.4
55.01878	10.4
63.26988	0.8
65.03943	26.4
65.04290	1.4
67.05495	4.5
69.03439	1.0
70.61011	1.6
71.01350	2.6
73.04761	3.4
79.05501	4.8
81.03416	2.0
81.07074	1.6
82.04201	5.9
85.02919	3.5
91.05493	7.3
91.05911	1.4
93.03413	10.8
93.07021	4.3
95.01346	3.5
95.04981	6.8
97.06528	2.2
103.05452	4.2
105.03399	4.3
105.04496	1.1
105.07060	1.2
107.04965	7.9
108.02102	3.4
108.05734	1.2
108.69781	0.8
109.06531	3.2
110.03661	18.4
111.04460	25.1
115.05476	2.7
117.03438	1.3
117.07036	1.9
118.04174	1.3
119.04933	3.3
120.05715	1.6
121.02013	0.9
121.02876	19.3
121.06513	22.2
122.03678	1.4
123.04421	6.7
125.05997	23.8
131.04938	4.9
133.02864	7.8
133.06528	3.3
135.04428	2.6
136.07594	1.4
137.02364	2.0
137.05984	16.6
137.29652	0.9
138.03134	4.4
138.09187	2.2
139.03912	1.4
140.04738	1.0
145.02908	2.4
145.06520	4.7
147.04384	4.5
148.05167	1.3
149.02339	1.7
149.05969	3.0
150.06779	2.3
151.03914	7.7
151.07578	3.4
153.05472	96.4
154.05882	1.8
155.07054	3.0
159.04341	1.0
160.05280	1.0
161.06023	4.0
163.03949	3.9
163.07515	2.4
164.04674	4.9
165.05502	11.4
165.07007	2.7
166.06291	1.5
166.07808	1.6
167.07076	11.5
167.08452	1.4
168.04196	1.1
168.05693	1.2
168.07362	0.9
171.06544	2.7
173.02437	2.4
173.06012	5.0
174.06798	1.9
175.03993	1.2
175.07594	2.8
177.05554	7.0
177.06934	1.2
178.07808	6.7
179.07039	2.4
179.08588	5.5
180.07751	4.8
181.04982	59.6
181.06497	5.9
182.05406	2.3
182.07188	1.5
187.03888	2.0
187.07544	1.6
189.05510	1.5
189.07039	2.8
190.07840	2.3
191.07027	4.0
191.08525	2.1
193.04964	5.4
193.06569	2.1
194.07288	3.3
195.06497	1.6
195.08092	3.2
196.09010	1.6
197.06198	1.0
197.08105	1.3
201.05508	3.6
202.06250	2.0
203.07030	3.7
205.04900	1.1
205.06508	3.5
205.08269	1.1
206.07285	6.3
207.06168	4.4
207.08177	8.2
208.07222	9.5
208.08694	1.0
209.06052	3.2
209.07990	1.6
210.06699	1.5
211.07549	2.7
212.08180	1.0
215.07037	2.5
218.07339	3.9
219.08070	2.7
219.75366	1.0
220.05309	1.0
221.06053	5.0
221.09644	2.7
222.06746	3.5
223.07596	5.6
224.08292	5.6
225.07504	12.4
226.08284	6.4
231.08170	1.1
233.06009	2.8
234.06725	7.0
235.07532	8.6
235.09615	1.2
236.08301	4.4
237.05486	2.3
237.09113	5.1
238.06192	1.9
238.09695	1.0
239.10660	2.8
245.08076	12.3
247.07599	2.1
248.04677	1.0
248.08311	1.2
249.05522	5.7
249.09035	6.2
250.06281	2.7
251.07043	6.1
252.07829	24.9
253.08559	5.0
262.06168	2.5
263.07037	6.0
264.07803	3.5
265.04987	1.4
265.08627	4.7
266.05890	1.2
266.09399	3.7
267.07159	1.6
267.10165	13.6
268.07419	1.2
268.10547	1.7
269.08224	2.5
275.07233	1.4
277.05048	3.2
277.08563	3.0
278.05606	1.6
278.09033	1.1
279.06512	4.2
279.09937	1.8
280.07358	7.0
281.08017	8.2
282.08575	0.9
286.01053	1.3
289.08652	1.1
291.06494	2.4
292.07388	3.5
293.07968	5.5
294.05164	2.9
294.08542	2.4
295.09616	19.1
296.07047	1.0
296.10342	3.8
297.07550	2.2
297.11099	1.5
299.12930	0.9
300.12381	1.4
305.07971	2.5
306.08813	1.0
307.06436	1.2
307.09497	4.9
308.06628	1.0
309.07635	5.5
309.10849	1.4
310.07977	1.3
311.09146	5.4
312.09802	1.2
317.10367	1.1
319.09894	1.3
321.07803	1.2
322.08359	1.1
323.09143	82.9
324.09634	7.3
325.10794	3.4
327.12244	3.5
329.10339	1.3
335.09232	2.4
337.07040	9.5
337.10748	3.9
338.11044	1.0
339.12375	3.5
349.10773	1.7
351.12277	1.8
353.10205	4.0
355.11761	100.0
356.07190	2.5
356.12125	7.2
357.13434	1.7
367.11795	11.3
368.12479	2.2
369.13397	1.1
385.12903	6.6
386.13318	1.8
399.14203	1.1
417.15326	1.3
446.16083	1.3
474.15540	6.7
499.13638	2.1
611.22162	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2126
Annotation	chlorophyll c1
Peak:m/z	Relative Intensity
53.03951	3.3
53.91409	1.1
55.01866	3.8
56.77574	1.4
65.03949	9.2
67.05503	3.7
68.99805	1.2
69.03425	2.9
71.30421	1.8
73.04755	4.0
78.04711	3.6
78.89200	1.3
79.05494	7.7
81.03417	2.7
81.07080	2.1
82.04209	2.7
85.02916	5.1
89.03934	1.8
91.05403	13.0
93.03383	2.1
93.07060	1.3
95.04978	5.1
97.06541	2.8
103.05476	18.4
105.03384	2.0
105.04523	1.8
105.07050	3.7
106.04210	2.1
107.04972	15.4
108.02132	2.4
110.03682	4.8
111.04456	3.8
115.05457	14.1
117.03437	1.6
117.07011	12.9
118.04176	4.6
119.04979	6.3
119.08566	1.7
120.05770	1.6
120.21944	1.3
121.02877	2.0
121.06525	13.9
123.04436	9.4
124.05236	4.7
125.05996	4.7
127.05448	1.9
128.70407	1.4
129.06995	1.9
130.04149	2.7
131.04930	14.3
132.05742	1.9
133.02911	2.7
133.06499	4.7
134.03638	1.3
135.04443	3.3
135.08054	1.5
137.05977	9.6
138.03151	2.3
138.98543	1.5
141.05492	2.8
142.02640	1.6
143.04941	3.9
145.02882	4.2
145.06493	25.7
145.07610	1.7
147.04390	10.1
147.08095	2.7
148.05231	9.9
149.06001	4.4
151.03917	76.4
151.04996	5.8
152.04453	2.3
153.05466	8.3
155.04912	2.3
155.06024	9.9
159.04446	3.1
160.05241	3.4
161.06010	5.2
163.03943	1.7
163.07524	10.4
165.05513	15.5
167.05698	3.2
167.07047	91.5
168.07372	2.5
171.04388	1.5
171.06548	2.6
173.06006	34.0
174.06541	2.1
175.04001	2.2
175.07600	3.9
176.04704	3.9
177.05434	12.5
179.07083	3.3
180.07768	1.4
181.04970	100.0
182.05338	2.2
187.03883	2.5
189.05475	3.2
190.06274	2.6
191.07042	35.0
191.08725	2.0
192.07706	2.4
192.92758	1.4
195.06592	10.5
201.05432	10.9
203.07037	8.5
205.04951	2.0
205.06833	2.3
205.08543	9.1
207.06535	3.5
209.08128	4.4
217.08682	4.5
219.06467	9.0
220.07382	4.2
231.06575	2.2
233.08102	20.4
234.08817	10.0
235.09584	11.1
237.09157	2.1
239.07051	3.4
239.09404	2.4
242.82216	1.3
245.44745	1.6
249.05544	1.5
251.07013	3.1
252.07912	1.7
263.06992	1.6
264.07834	1.5
265.08728	2.6
269.08160	1.7
270.33527	1.3
277.08810	1.6
281.08102	2.2
283.09698	2.0
285.01062	2.0
286.00955	1.7
292.07425	1.6
293.08215	2.5
295.06320	1.5
297.11301	2.4
309.07529	3.1
310.08551	1.9
311.09161	3.1
317.10184	1.7
323.08994	3.2
325.10632	2.8
327.12289	1.6
329.10321	5.4
337.07095	1.8
337.10773	2.0
343.11893	2.7
353.10226	2.8
355.07507	2.1
355.11905	7.1
356.07047	4.2
357.13260	6.1
365.10306	1.8
371.11096	1.7
375.10718	1.6
383.11404	2.6
385.12851	34.0
386.13681	7.4
387.14182	6.4
397.12772	4.7
398.13504	2.2
415.14020	6.6
416.14572	11.9
417.15356	13.0
418.99271	1.9
432.14456	3.7
474.15640	6.5
581.20276	9.2
611.21240	50.6
612.21973	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	611.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02376	1.0
52.25468	0.4
52.52361	0.4
53.03945	4.3
55.01864	1.2
63.02387	0.5
63.50723	0.4
65.03930	1.4
73.04755	1.4
77.03904	2.0
78.04669	0.5
79.05495	1.9
81.03407	0.6
85.70571	0.4
88.59371	0.4
89.03926	2.9
91.04890	0.6
91.05466	18.8
93.07053	20.6
94.04154	0.4
94.07397	0.5
95.04971	6.2
103.05473	19.5
105.03389	2.8
105.04499	2.8
106.04149	0.4
107.04958	5.0
109.06529	1.1
116.07472	0.3
117.03388	5.0
117.07001	0.4
119.04959	4.3
120.05749	1.1
121.06511	100.0
122.03656	1.1
122.06828	2.6
123.04424	1.1
131.04935	7.4
133.02858	27.8
134.03595	0.8
134.05994	0.7
135.04417	18.1
136.05139	0.7
136.07576	3.0
137.02339	0.7
137.05986	20.3
138.06308	0.7
138.09143	2.1
145.02847	8.4
145.06497	0.7
146.03564	0.6
146.06004	1.0
147.04431	7.1
148.05170	0.8
149.05984	23.1
150.06769	53.7
151.03918	7.7
151.05034	0.8
151.07474	2.5
153.06856	0.4
157.03999	0.4
159.04420	12.0
161.02341	6.8
161.05991	1.1
162.03160	0.8
163.03909	12.9
164.04817	2.4
164.07062	8.4
165.05476	3.5
165.06929	0.6
166.06282	1.7
167.05603	0.9
167.07050	2.8
167.08444	0.8
168.05455	0.4
173.02328	2.3
173.05949	0.7
175.03909	1.1
176.04753	2.2
177.05493	15.2
177.07002	1.4
178.04938	3.8
181.04999	3.0
181.06433	0.7
187.03912	50.8
188.04234	1.9
189.05434	0.4
191.03307	0.4
191.06984	0.7
192.06705	0.6
195.08128	1.0
205.06538	4.2
205.08374	0.7
221.05994	1.4
222.06738	1.5
223.07545	2.2
233.05984	6.4
233.08215	0.5
234.06618	0.6
235.07538	0.6
237.05478	0.7
237.09132	1.2
239.07170	0.6
239.09515	0.6
249.05450	2.0
250.06264	5.6
251.06982	2.4
252.07741	0.5
261.05444	2.7
262.06284	0.6
265.08664	2.3
266.05759	1.4
267.06522	0.6
269.08105	1.0
277.04990	1.1
278.05725	3.2
279.06488	2.2
281.08130	0.7
283.09705	3.6
284.12796	0.6
285.00571	0.5
285.11334	1.1
293.08109	8.1
294.05164	1.8
298.10748	3.6
300.12021	0.5
309.07541	2.7
310.10730	1.9
311.09140	76.7
312.09412	5.2
312.12476	0.6
314.13885	10.3
315.14090	0.8
324.12329	5.8
337.07077	6.1
355.07065	1.2
356.07285	1.3
385.12811	1.1
446.16092	0.5
448.17578	41.9
449.17911	4.2
474.15488	8.8
475.15659	1.1
611.23828	13.7
612.24023	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	611.2386
Annotation	(+-)-Demethylgrossamide
Peak:m/z	Relative Intensity
51.02389	1.1
53.03945	3.7
61.52142	1.1
67.05497	1.2
71.30019	1.5
73.04763	3.7
73.10912	1.0
75.08897	1.0
77.03948	1.0
79.05533	1.9
81.07066	1.9
84.08159	1.6
89.03922	2.6
91.05405	14.2
91.05928	1.3
93.07041	17.7
95.04972	6.1
103.05477	17.4
105.03394	2.4
105.04535	1.7
107.04942	4.6
109.06530	1.7
117.03399	4.5
119.04952	3.5
121.06509	100.0
122.06854	2.7
131.04935	3.1
133.02853	33.4
134.03693	1.4
135.04410	14.2
136.07576	2.6
137.02408	1.3
137.05989	14.3
138.09158	3.4
139.03946	1.0
145.02873	10.4
146.06020	1.4
147.04417	2.4
149.04698	1.7
149.05962	23.1
150.06766	55.4
151.03938	2.1
151.07338	1.4
158.53802	1.0
159.04419	4.7
161.02324	4.8
163.03926	12.8
164.04694	1.2
164.07068	8.8
165.05508	4.0
167.05627	1.3
173.02356	1.3
175.03893	1.2
177.05487	19.2
178.05022	4.4
184.07321	1.8
187.03911	31.7
205.06483	2.0
221.06024	1.4
222.06680	1.3
223.07700	1.5
233.05951	6.9
239.09476	1.1
249.05605	1.8
250.06198	3.4
251.06900	1.2
261.05490	1.6
265.08655	1.7
270.97620	1.0
277.04959	1.4
278.05692	2.7
283.09558	1.5
285.00925	2.4
286.00879	1.2
293.08115	6.8
298.10733	7.1
299.06116	1.7
311.09155	42.1
312.09537	2.9
314.13867	19.0
324.12408	3.8
329.99338	1.0
337.06992	3.4
355.07037	2.3
356.07010	4.3
448.17551	52.6
449.17822	5.8
474.15106	6.4
490.19461	1.4
611.23810	18.2
612.24054	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	611.2387
Annotation	Cannabisin C
Peak:m/z	Relative Intensity
51.02390	0.5
53.03944	2.1
55.01868	2.1
65.03941	1.0
67.05486	0.7
69.15025	4.2
71.05023	0.5
73.04742	1.5
77.03951	0.8
79.05498	1.2
80.92065	0.5
81.03444	0.6
91.05450	10.1
93.07049	10.8
94.66985	0.5
95.04971	3.3
103.05462	9.6
105.03410	0.5
105.04527	1.3
105.07001	0.5
107.04951	1.8
110.03646	0.8
115.05457	0.9
119.04955	1.5
121.02901	1.0
121.06510	82.4
122.03654	1.2
122.06849	1.4
123.04428	1.8
125.05994	0.8
131.04926	7.8
133.02853	1.4
133.06471	0.7
134.03526	0.7
135.04417	3.6
137.02374	0.6
137.05971	16.4
138.09142	23.8
139.09503	0.8
143.04913	1.1
145.02861	1.5
145.06482	0.9
146.06026	1.1
147.04405	2.1
149.05989	2.1
150.06783	8.6
151.03922	3.2
151.07495	0.6
152.07155	0.7
153.05470	1.5
159.04408	7.4
161.02341	2.2
161.05968	3.2
163.03889	1.0
164.07072	5.3
165.06966	2.5
167.05814	0.7
167.07054	3.4
167.08560	1.5
173.05995	1.1
175.03929	1.0
176.04785	0.7
176.06250	1.5
177.05482	3.4
177.07027	4.7
178.07646	0.9
179.07109	0.7
181.04953	4.4
181.06519	1.5
182.07172	0.6
186.03142	0.6
187.03900	23.2
189.05472	1.8
189.07011	1.2
191.07051	1.4
193.06497	2.2
193.08302	0.5
194.07196	2.5
195.08099	2.7
201.05469	1.9
202.07819	0.6
204.05704	1.0
205.06508	15.5
205.08525	0.7
206.07216	1.7
207.08144	1.1
209.06024	0.8
210.06760	2.1
213.05501	1.5
217.06575	0.8
219.08064	1.4
220.05238	2.3
221.05966	6.8
222.06708	5.4
223.07570	11.0
224.08194	0.9
225.05594	1.1
233.05969	13.8
233.08229	1.0
234.06686	3.0
235.07504	2.0
236.08000	0.6
237.05501	3.6
237.09053	3.3
238.06277	4.2
239.07079	0.8
247.07629	2.0
248.04735	2.2
249.05473	9.2
250.06250	14.6
251.07018	17.4
252.04361	0.5
252.07635	2.6
253.05034	1.0
253.08536	2.1
255.10161	1.0
259.03833	0.6
261.05450	5.0
262.06339	1.1
263.06998	3.1
265.05014	1.5
265.08621	10.0
266.05725	7.2
266.08478	0.8
267.06403	1.2
268.07309	1.5
269.08029	1.9
272.12769	1.1
275.07080	1.1
276.04199	1.7
277.04962	5.0
278.05737	10.4
279.03384	0.8
279.06516	17.0
280.07202	1.7
281.04752	1.2
281.08081	3.2
283.09656	4.6
285.01056	0.6
285.11255	4.4
286.00830	0.8
291.06577	3.6
292.07193	1.1
293.08084	51.8
294.05228	10.9
294.08466	3.7
295.05939	1.5
295.09570	0.6
296.06802	2.2
304.03674	0.7
305.04382	1.7
309.07568	24.5
310.07935	1.6
311.09137	89.4
312.09534	6.2
319.06097	1.8
322.04767	1.0
323.09140	1.4
337.07071	100.0
338.07324	7.0
355.07181	0.8
355.11777	0.7
356.07175	1.0
385.12512	1.0
446.15775	0.7
448.17581	36.3
449.17853	3.3
457.30652	0.6
474.15509	8.6
475.16138	0.8
491.36890	0.5
611.23767	11.3
612.23669	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	611.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03953	2.7
69.44892	2.6
73.04755	2.4
79.05523	0.7
81.03410	1.0
90.76331	0.6
91.05429	11.5
93.07051	16.8
94.07379	0.5
95.04980	4.0
98.22614	1.1
101.42239	0.6
103.05472	12.2
104.05782	0.7
105.04510	1.3
119.04947	2.5
119.08627	0.8
121.06509	100.0
122.06815	3.5
123.04414	0.6
125.06010	0.9
135.04420	0.6
147.04413	7.9
153.01843	2.8
159.04332	0.8
163.03960	1.4
164.07079	6.3
167.05484	0.9
177.05484	3.6
181.06453	1.2
187.03845	73.7
188.04222	3.2
195.08150	1.1
200.59354	0.6
205.06537	3.2
210.06758	0.7
212.03490	0.7
220.05235	1.1
221.05992	11.0
222.06566	0.8
223.07544	9.3
230.04529	1.8
233.05991	2.6
234.06764	0.8
235.07466	3.9
235.88908	0.6
239.09448	1.5
240.09772	0.6
248.04832	0.9
248.74208	0.5
249.05501	16.6
250.06140	1.9
251.07022	20.8
252.07545	1.8
263.07092	2.6
266.05692	5.0
268.07266	8.9
277.04968	17.9
278.05402	0.9
281.08136	1.3
283.09647	8.0
285.00946	1.0
294.05200	2.0
299.09180	4.3
303.04999	4.0
309.07565	57.9
310.07950	3.6
350.10260	19.6
351.10672	1.3
355.07272	2.3
356.07379	2.0
446.15994	56.5
447.16299	5.5
464.39355	0.7
474.15491	76.9
475.15894	9.7
581.71100	0.6
611.25775	2.0
629.62207	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	611.2386
Annotation	Cannabisin C
Peak:m/z	Relative Intensity
50.01591	0.7
51.02374	0.6
53.03954	2.7
60.70332	0.6
65.79195	0.5
66.10276	0.5
67.05499	0.6
70.66712	0.5
70.91248	0.9
71.97766	0.5
73.04748	1.4
81.03416	0.8
90.03739	0.5
91.05415	8.1
93.06473	0.9
93.07046	16.0
93.07625	1.0
94.07365	0.6
95.04977	3.8
103.05473	11.6
105.04504	1.8
105.07018	0.7
107.21499	0.5
111.26636	0.5
117.11839	0.5
119.04964	0.8
120.04487	0.6
121.06508	100.0
122.06845	3.1
123.04436	1.1
137.05933	0.7
138.05434	1.3
141.03348	2.2
145.02878	0.8
146.05966	0.8
147.04362	1.0
151.03850	0.6
153.01779	0.7
158.03668	0.6
159.04443	0.8
161.05948	0.6
164.07079	6.5
167.05597	1.0
173.06029	0.9
174.06773	4.8
175.07542	0.9
177.05638	1.0
181.40273	0.5
187.03847	1.1
191.06993	3.2
191.08488	0.6
194.07152	0.6
201.05376	67.2
202.05756	3.2
205.06433	3.4
207.07971	0.8
219.08040	1.7
220.05188	1.7
221.05977	5.9
222.06720	2.4
223.07535	2.1
226.04901	0.5
233.05965	3.1
234.06804	2.5
235.07520	8.0
237.05478	0.6
237.09138	5.8
238.06337	1.5
238.09358	0.5
239.09390	0.9
244.06093	1.5
247.07578	1.6
248.04691	1.6
249.05447	3.0
250.06236	3.7
251.07016	2.3
252.07793	1.0
258.11316	3.1
263.07047	13.9
263.09830	0.9
265.08575	8.5
266.05765	6.7
268.07291	23.2
268.10168	1.2
268.97830	0.6
269.07602	1.1
278.05670	0.9
280.03925	0.6
281.08060	1.4
283.09641	25.7
284.10010	1.5
285.01065	0.7
285.07404	0.7
291.06476	5.4
293.07993	0.6
294.05164	0.9
295.05908	0.9
299.06052	0.6
299.09061	2.5
302.88583	0.6
309.07568	62.5
310.07852	3.5
311.09198	1.0
326.10379	1.3
355.07495	0.8
356.07089	1.9
364.11816	10.4
364.68829	0.5
365.12091	0.8
446.15985	54.2
447.16382	5.5
448.17194	1.0
474.15482	80.3
475.15836	7.9
611.13232	2.0
611.23309	1.1
612.13885	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	611.2388
Annotation	Cannabisin C
Peak:m/z	Relative Intensity
51.02388	1.3
53.03953	2.4
53.42750	0.9
55.01863	1.2
56.75944	0.9
69.38282	0.8
70.56540	2.2
70.96611	1.1
73.04769	3.3
77.03941	1.2
81.03439	1.6
85.33043	0.9
87.24021	1.0
89.03940	2.1
91.05403	10.4
93.07049	12.0
94.97646	1.0
95.04983	4.6
103.05488	9.5
105.04505	1.1
108.02084	0.9
115.05540	1.7
116.48504	1.0
117.03400	3.5
119.04967	3.7
121.06516	100.0
122.06859	3.6
123.04450	2.1
125.06036	1.4
131.04942	1.5
133.06453	1.1
134.06053	1.3
135.04456	2.7
135.08009	1.0
136.07607	3.0
137.05974	2.3
138.09177	3.0
139.03961	1.0
145.02821	6.2
146.06013	1.4
147.04434	3.4
149.04593	1.6
149.05984	2.2
151.03926	30.6
151.05019	2.6
151.07610	0.9
153.01877	4.1
161.06007	12.2
163.03931	11.3
164.07074	16.3
167.05614	2.4
167.07098	3.1
175.03966	1.6
177.05502	12.8
177.06943	0.9
178.04971	12.3
178.06190	1.0
181.05052	3.0
181.08644	1.0
187.03836	27.6
188.04189	1.3
191.07036	1.0
192.06654	1.0
201.05414	9.6
205.06587	4.5
206.08163	1.0
209.08139	2.5
210.06786	1.1
221.05975	3.5
222.06723	2.0
223.07619	3.8
233.05997	2.0
237.05481	1.2
238.06267	2.1
239.09653	1.5
240.09581	1.2
249.05496	8.2
250.06197	9.1
251.07047	5.7
252.07405	1.1
263.07007	1.3
265.04996	2.9
265.08649	6.7
266.05811	4.5
268.07440	3.0
277.04996	24.6
278.05728	16.6
279.06281	4.9
282.11026	3.0
283.06058	4.9
283.09659	2.8
285.00916	2.9
287.05502	5.2
291.06372	1.3
293.08081	25.9
293.11200	1.7
294.05292	18.5
294.08511	2.1
295.05756	1.7
298.07391	1.2
298.10745	22.0
299.05969	1.5
299.10944	1.4
300.12375	6.6
302.04193	3.1
309.04120	1.6
309.07578	42.9
310.07916	1.9
311.09167	17.6
317.06589	3.4
324.12320	18.4
325.12949	1.2
337.07153	9.5
353.10184	1.4
355.07083	3.0
356.07083	3.1
446.16492	2.8
448.17917	4.4
474.15564	77.6
475.15701	9.1
571.68073	1.2
611.20410	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	611.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
55.05514	8.7
64.65579	2.6
65.00864	2.5
67.05508	29.0
69.07057	6.4
73.04768	3.3
79.05498	19.4
79.46803	2.7
81.03393	2.5
81.07056	25.7
83.08622	6.7
83.61454	2.5
85.10208	3.7
91.05463	11.2
91.05887	5.9
93.07030	17.8
94.04986	2.4
95.04984	3.2
95.08606	18.4
105.07036	15.5
107.08597	12.7
109.10155	6.0
117.07018	4.9
119.08585	9.6
121.10152	6.2
123.81680	2.6
129.07011	5.3
131.08607	6.9
133.10135	7.9
135.11714	6.3
143.08546	3.8
145.10136	4.8
147.11751	3.0
149.13301	4.8
159.11731	4.9
161.13322	4.6
163.11261	3.4
173.13336	4.3
179.14342	6.8
199.14676	2.9
213.16470	3.1
229.46742	3.2
275.20041	8.7
277.21750	15.7
285.00983	2.9
347.30273	2.7
355.06851	4.3
356.07175	5.1
448.42566	3.0
513.38922	4.5
563.58838	2.8
593.44885	4.4
611.30042	31.9
611.38971	100.0
611.46973	23.1
612.39038	8.0
612.47473	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	611.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.2
57.07069	9.2
63.94029	5.8
64.61097	5.7
67.05508	35.1
69.00945	11.7
69.01347	43.4
69.07067	7.9
73.04771	25.6
79.05510	17.7
81.07063	24.2
83.08631	8.3
89.06048	7.5
91.05850	50.3
93.07062	17.5
95.08625	20.7
105.07046	16.6
107.08613	16.6
109.10158	7.5
117.06995	6.1
119.08598	8.7
121.10181	12.0
121.56641	5.7
123.11674	5.9
131.08592	7.4
133.10153	8.0
135.11670	7.4
137.06013	5.4
145.10109	11.3
147.11688	7.5
159.11737	7.1
164.87389	5.6
167.05583	21.3
198.10901	5.4
234.56876	5.8
239.09402	12.3
240.09645	9.8
268.97720	8.6
269.97900	6.3
270.95279	6.2
275.20160	12.7
277.21600	8.0
285.00961	13.2
286.01007	5.8
300.06494	8.0
333.23923	6.7
337.27606	6.2
355.06946	27.1
356.07098	38.7
357.07144	13.4
419.99823	7.6
433.47617	6.4
556.92096	7.1
611.29797	12.6
611.38556	100.0
611.46881	27.8
612.39227	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.57365	0.8
55.01863	1.6
55.05266	1.5
55.05511	13.8
57.03432	2.7
57.07079	4.0
62.78837	0.8
65.03951	1.7
67.05505	28.9
68.46075	0.8
68.79545	0.8
69.07067	12.7
71.04995	0.8
71.08641	2.3
79.05065	1.7
79.05492	19.4
79.05841	0.9
81.07056	24.9
81.81931	0.8
83.05003	1.3
83.08624	7.0
85.06529	1.3
85.46821	0.7
91.05487	16.2
93.07043	18.9
95.04960	1.4
95.08609	20.5
95.27523	0.9
97.06528	2.2
97.10168	3.8
98.13661	0.9
98.23354	2.2
99.08138	1.0
105.04494	0.9
105.07035	17.7
105.07678	1.6
106.90018	0.8
107.04983	0.9
107.08588	10.8
109.06573	1.0
109.10133	8.4
111.08076	1.6
115.05441	1.1
117.07014	11.0
119.08586	13.8
121.10126	9.0
123.11713	2.8
125.09693	1.3
128.06186	2.1
129.06999	9.2
131.08568	20.4
133.10147	9.0
135.11685	4.7
141.06985	2.9
142.07788	2.3
143.08562	12.6
145.10123	16.1
147.11650	5.3
149.13306	3.1
154.07826	1.0
155.08560	8.3
156.09338	1.8
157.10146	10.7
159.11693	9.5
161.13304	3.7
163.11024	0.9
163.14835	2.2
167.08591	2.9
169.10120	9.6
171.11705	11.0
172.12137	1.0
173.13235	7.7
175.14815	2.4
177.16461	1.3
179.14326	1.4
181.10150	3.8
182.10857	1.2
183.11682	8.3
185.13237	6.4
187.14850	4.5
189.16447	1.2
191.17828	1.2
193.10216	1.4
195.11745	3.4
196.66571	1.0
197.13251	6.1
199.14871	5.3
201.16399	2.9
203.17982	1.2
207.11758	1.4
209.13307	3.2
211.14848	4.0
213.16457	3.8
215.17960	2.1
219.11725	1.0
221.13402	1.0
223.14880	2.4
225.16435	3.6
227.18060	2.5
229.19472	2.0
237.16420	1.2
241.19611	2.6
249.16437	1.4
251.18086	1.3
253.19704	1.1
255.21126	1.1
265.19598	0.9
267.21191	1.8
269.22745	1.2
275.20096	2.1
279.21225	1.2
285.22189	1.4
331.23041	1.0
353.28485	2.1
367.30115	1.3
381.31610	1.3
390.81378	0.9
395.33377	1.1
435.32278	1.0
499.34967	0.9
501.41092	1.0
513.35443	2.3
519.42053	9.6
527.37335	1.0
529.38806	1.1
537.43127	5.5
593.45599	8.0
611.46716	100.0
612.47113	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
53.98680	4.1
55.05504	20.3
67.05505	69.4
69.07068	19.1
70.49906	8.2
70.50228	5.8
73.04730	9.8
73.67969	4.8
79.05486	45.0
79.79505	3.9
81.07066	65.2
83.08620	13.6
90.07073	4.2
91.05404	35.2
92.05837	4.6
93.07045	44.1
95.08608	42.8
97.06548	6.0
97.10191	5.1
99.08081	7.9
105.07047	41.3
107.08620	25.4
109.06544	5.5
109.10136	17.8
117.07019	12.6
119.08562	32.4
121.10150	22.3
123.11725	8.6
124.80653	4.0
129.06978	8.5
131.08549	25.0
133.10156	23.6
135.11722	18.2
143.08582	14.7
145.10118	22.4
147.11699	25.3
149.09688	4.6
149.13272	8.7
153.97861	4.1
157.10095	10.4
159.11679	17.8
161.13269	12.3
169.10164	8.4
171.11678	10.1
173.13297	12.4
175.14899	6.1
184.12573	5.0
185.13274	9.5
187.14828	6.1
197.13269	8.6
199.14806	10.1
209.13301	5.0
213.16574	4.9
259.20587	14.2
275.20044	17.1
286.01343	5.5
299.06064	4.9
329.64496	4.9
330.91708	4.3
333.24203	10.4
335.25763	16.1
356.07010	7.1
487.84851	4.6
509.17328	4.8
519.41522	9.0
593.45526	6.8
611.46747	100.0
612.46912	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79348	1.4
53.03938	2.6
53.92339	1.1
55.01868	2.3
55.05514	19.1
57.03433	8.8
57.07065	5.3
57.07330	1.3
64.22457	1.2
65.03939	3.4
67.05506	54.4
69.02789	7.6
69.03190	3.4
69.03444	1.7
69.07068	19.7
71.08644	2.5
73.06702	1.1
79.05497	44.1
81.07058	58.5
83.04953	1.8
83.08618	13.8
85.06542	2.9
91.04898	1.6
91.05025	0.7
91.05471	45.6
93.07046	49.9
95.04980	3.9
95.08606	46.5
97.06524	5.1
97.10172	4.6
98.23473	2.4
99.08154	2.5
103.05453	1.9
105.04545	1.8
105.07031	43.7
107.08594	26.0
109.06548	3.0
109.10159	17.6
111.08109	1.5
115.05456	4.0
117.07009	18.1
119.08582	36.5
121.10135	25.0
123.08076	1.6
123.11726	4.9
125.09679	1.3
128.06235	3.4
129.07037	12.7
131.08566	28.4
133.10129	27.8
135.11679	18.1
137.13281	2.8
141.07014	4.6
142.07813	2.2
143.08565	15.6
143.56355	1.4
145.10124	24.8
147.11670	20.0
149.13261	8.5
151.11111	1.3
155.08565	6.9
156.09395	1.8
157.10127	14.6
159.11688	22.7
161.13254	14.9
163.11217	1.5
163.14835	5.2
167.08496	2.0
167.81429	1.3
169.10115	11.2
170.10774	1.5
171.11705	16.1
173.13268	15.9
175.14809	8.4
179.84509	1.5
181.10097	3.6
183.11650	10.5
185.13272	12.6
187.14796	7.5
189.16396	2.6
195.11713	3.1
197.13208	7.3
199.14815	8.1
201.16415	4.7
203.17949	2.1
209.13351	3.1
211.14796	3.0
212.13441	1.4
212.15408	1.3
213.16524	3.7
215.17976	2.7
223.14873	1.8
225.16470	3.1
227.18027	2.5
231.21249	1.8
239.17978	3.6
241.19676	9.3
251.18208	2.0
257.19092	5.6
259.20569	21.9
261.22214	3.6
275.20129	2.1
277.21805	2.3
297.22272	2.7
313.25430	1.9
333.24252	10.2
335.25824	19.3
337.27390	2.7
339.26889	1.9
353.28491	2.6
449.34253	2.9
515.37488	1.5
519.41992	7.5
523.37787	1.5
529.38782	1.6
537.43121	3.9
581.80444	1.3
593.45844	8.8
611.46680	100.0
612.46838	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01880	2.1
55.05244	1.3
55.05512	23.4
56.76279	1.0
57.03444	5.9
57.07075	3.9
65.03934	2.6
67.05507	48.6
69.07066	16.5
69.39343	1.0
70.05190	1.0
70.31226	1.1
71.04999	2.2
71.08625	2.3
77.03893	1.3
79.05493	37.4
81.03430	1.7
81.07056	50.4
82.07382	1.5
83.04993	1.7
83.08620	10.0
84.08709	1.0
85.06551	2.8
91.05477	33.7
93.07043	40.2
95.04984	3.6
95.08607	38.5
96.08978	1.5
97.06549	4.4
97.10200	5.1
99.08090	2.0
105.07031	37.4
107.08599	24.5
109.06541	2.3
109.10152	17.0
111.08112	1.6
115.05474	2.6
117.07013	13.8
119.08575	33.2
120.08895	1.3
121.10140	19.5
123.08083	1.6
123.11700	5.9
125.09637	2.5
128.06247	1.8
129.07011	9.8
131.08568	25.6
131.09509	2.0
133.10132	26.5
135.11678	14.0
137.13263	1.5
137.48297	1.1
141.07043	3.0
141.50478	1.2
142.07822	2.5
143.08572	14.0
144.09340	2.1
145.10123	24.3
147.11678	18.5
149.09601	2.3
149.13275	7.2
155.08559	5.4
157.10135	12.2
159.11681	16.3
161.13252	15.3
163.11212	2.1
163.14807	3.4
165.12802	1.4
167.08531	1.9
169.10138	9.2
171.11676	10.9
173.13269	11.8
175.14809	6.5
177.12776	1.5
177.16415	1.7
181.10159	2.4
183.11717	7.1
184.12344	1.1
184.46475	1.1
185.13281	9.0
187.14873	7.4
189.16400	1.9
193.10216	1.6
195.11757	3.2
197.13290	4.9
198.00021	1.0
199.14792	7.6
201.16399	5.4
209.13301	2.7
211.14874	4.1
213.14700	1.3
213.16460	5.5
213.18471	1.3
215.18045	3.8
216.14195	1.0
217.16168	1.3
219.17717	1.1
223.14865	1.2
225.16444	2.6
226.17229	1.0
227.17953	2.0
229.19623	3.0
229.44783	1.2
231.21120	2.2
237.16399	1.9
239.18057	2.7
241.19611	9.6
243.21217	1.3
253.19736	1.8
257.19031	4.2
259.20547	21.0
260.21075	1.2
261.22217	3.3
265.19498	1.2
267.16013	2.1
271.20645	1.3
273.21912	1.3
275.20102	2.2
291.82941	1.3
299.23816	2.3
311.70679	1.2
315.23157	2.6
333.24344	11.0
335.19302	1.2
335.25861	17.4
336.26303	1.7
337.27475	2.4
339.26898	2.6
367.29880	1.5
393.31644	1.3
409.31192	1.3
503.37280	1.2
519.41986	5.8
527.36859	1.6
537.43127	4.5
541.38989	2.4
542.40308	1.4
575.44696	1.4
593.45593	8.7
594.46307	1.6
611.46661	100.0
612.47064	13.5
628.29852	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	612.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03949	1.2
67.05471	1.0
68.99790	1.0
71.30598	0.9
73.04765	1.8
79.01854	4.6
83.04980	0.7
85.02908	1.4
91.05412	1.1
91.05856	1.6
93.07056	2.6
95.04957	2.2
97.02882	1.3
99.30204	0.8
103.05453	1.6
103.45574	0.8
105.03397	1.0
105.07008	0.8
107.01285	1.2
107.04971	5.5
111.04436	1.4
117.03363	1.0
119.04924	1.3
121.05637	1.4
121.06495	12.3
122.06870	1.4
123.04427	100.0
124.04749	2.5
125.02374	2.3
131.05008	0.8
133.06464	1.0
135.04416	4.0
137.05984	1.7
139.03899	60.1
140.04172	1.2
143.03392	5.6
145.02809	3.7
147.04420	6.2
149.05989	1.9
150.58113	0.9
151.03922	10.1
151.07552	1.5
153.01830	77.0
153.02902	4.5
154.02156	1.9
161.05969	3.3
163.03934	7.7
164.07060	1.8
165.05524	1.9
167.05597	1.1
167.07024	1.9
167.40013	0.8
177.05463	5.7
179.07010	0.9
189.05527	1.9
191.07101	1.0
201.05411	4.7
207.06480	1.1
209.08092	1.3
221.06041	1.2
253.17955	2.2
255.06601	1.1
262.58566	0.8
268.07159	0.9
273.07562	35.8
274.08014	2.1
275.05591	1.2
282.11148	1.8
285.00946	1.7
291.04919	5.3
291.08307	1.6
294.06659	0.8
295.05969	1.8
297.07568	3.3
298.07944	2.6
303.04800	1.1
309.07483	1.3
312.08813	1.2
312.12302	1.1
315.04724	1.1
318.07153	0.8
353.10419	1.8
400.93524	0.9
432.14304	1.2
447.16278	1.4
474.14716	1.4
475.16171	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	612.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01884	2.0
55.05502	3.2
57.03445	1.0
61.02914	1.6
65.03964	1.2
67.05510	4.1
67.20301	1.0
67.98286	0.8
69.03427	4.5
69.07079	6.1
69.25766	0.8
69.65429	3.4
70.06591	2.0
71.05003	3.1
73.02914	0.8
73.04770	1.5
79.05496	13.9
81.03414	2.8
81.07059	24.3
83.04985	6.1
85.02916	14.0
85.06547	3.5
91.05438	7.7
93.07049	27.1
95.04966	4.8
95.08609	7.9
97.02920	5.1
97.06536	17.8
99.04463	9.5
100.04785	0.9
103.05488	1.4
105.07039	17.4
107.04959	2.3
107.08596	13.4
108.41457	0.9
109.06516	14.5
109.10180	2.6
111.04517	1.3
111.08118	2.0
117.07047	1.9
117.39666	0.8
119.08577	12.4
121.06509	41.9
121.10143	3.1
122.06855	1.4
123.04413	1.2
123.08087	3.8
123.11713	1.7
125.06001	7.2
127.03918	3.2
127.07571	8.1
129.06993	2.7
131.08574	3.5
133.06485	3.1
133.10136	5.3
133.19862	0.9
135.04405	2.3
135.08044	8.0
137.05972	3.7
137.09645	1.0
139.07565	7.3
141.05431	1.5
142.07768	2.4
143.07082	5.9
143.08545	5.4
145.04930	1.3
145.06528	1.1
145.10115	6.4
146.10432	1.1
147.08060	3.0
147.11687	27.1
148.12068	1.2
149.09653	1.0
149.13145	1.0
151.07639	1.1
156.09348	2.1
157.06529	1.2
157.08643	2.5
157.10133	13.8
159.11649	1.4
161.09669	1.3
161.13242	4.3
163.11143	1.9
165.12767	13.8
166.07838	1.3
171.11700	11.9
173.09612	3.0
175.11188	17.7
180.08667	1.0
181.10138	1.5
189.12769	12.7
191.14294	1.1
193.12254	12.4
199.11182	16.5
207.13824	12.4
209.15382	4.3
211.13319	7.1
213.83344	0.8
217.12256	51.1
218.12561	2.4
223.37219	0.9
229.14388	3.0
235.13298	100.0
236.13644	4.4
253.14355	79.1
254.14729	4.0
271.15347	5.5
341.00653	0.9
357.06647	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	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.7
52.16747	2.1
53.03933	7.3
53.08591	2.1
55.01867	10.8
55.05240	3.4
55.05511	60.6
56.05837	2.9
56.60620	2.5
57.03439	24.4
59.76093	2.3
65.03942	6.0
67.05507	69.8
69.03427	6.5
69.07068	22.8
71.04991	10.4
73.04736	3.8
79.05494	68.4
81.03423	61.1
81.07057	68.6
82.07377	3.6
83.04984	28.7
83.08621	51.3
85.02906	29.7
85.06564	5.4
91.05463	65.5
92.05824	2.7
93.07045	57.4
95.04971	100.0
95.08608	38.0
96.05302	2.3
97.02917	3.1
97.06519	12.7
97.10173	16.5
98.23347	7.7
99.04449	5.4
103.05516	3.1
105.07028	56.5
106.07367	3.1
107.04942	20.0
107.08595	37.6
109.06522	11.8
109.10142	16.6
111.04459	12.6
111.08073	16.9
115.05450	3.9
117.07034	13.9
119.08575	44.3
121.06510	10.1
121.10144	23.4
123.08091	12.3
123.11645	4.4
125.09639	11.3
128.06223	3.6
129.07040	13.0
131.08585	28.4
133.06517	4.6
133.10132	33.2
135.08054	6.3
135.11713	14.1
137.09596	6.4
139.11191	3.3
142.07777	3.1
143.08580	4.5
145.10133	27.6
147.08083	5.7
147.11690	24.7
149.09621	37.2
150.09917	3.0
155.08479	4.1
157.10106	15.2
159.11662	11.3
161.09619	3.5
161.13181	5.2
162.69603	2.5
163.11180	33.2
165.12778	10.8
169.10118	7.1
171.11729	3.0
173.13318	2.8
175.11160	16.6
177.12793	3.0
183.11839	2.5
187.11148	2.7
187.14784	3.5
189.11217	12.7
189.12776	2.9
193.12260	49.2
194.12567	3.1
205.12289	7.5
211.13283	74.9
211.15170	4.9
212.13533	2.8
221.15381	2.6
223.13287	61.8
223.15323	4.1
224.13635	4.8
239.17909	5.2
257.19095	11.9
267.15942	27.3
275.20050	84.4
276.20337	6.3
285.16962	64.4
285.20047	4.3
286.17319	5.4
293.21130	37.6
294.21475	3.1
349.23773	25.4
350.24008	2.4
357.06589	3.6
367.24847	39.4
435.61508	2.5
479.29993	2.8
488.98141	2.4
541.34918	5.9
559.36163	24.3
560.36823	4.1
577.37360	45.7
578.37976	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	612.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.01878	9.1
55.05518	26.7
57.03447	15.7
65.03936	2.8
67.05507	48.7
69.03439	5.1
69.07068	21.9
71.04996	7.4
77.14507	2.1
79.05501	51.8
81.03424	51.5
81.07063	100.0
83.04988	19.3
83.08615	33.0
85.02913	21.5
85.06557	3.9
91.05482	47.0
93.07050	37.2
95.04980	22.2
95.08614	27.5
96.99920	1.9
97.02897	2.1
97.06544	11.1
97.10171	6.8
99.08094	2.9
105.07032	49.2
105.07677	3.5
107.04949	13.7
107.08607	16.9
108.08879	2.4
108.53160	2.4
109.06529	22.7
109.10184	10.8
111.04510	2.2
111.08078	12.0
113.06007	3.9
117.07043	10.5
119.08591	36.0
121.06524	6.2
121.10157	17.2
123.08080	7.8
123.11743	6.8
125.09639	3.3
129.07053	11.9
131.08577	22.5
133.06485	3.4
133.10144	19.1
135.08075	5.6
135.11708	8.4
137.09627	6.2
142.07784	2.6
143.08476	2.9
145.10135	12.1
147.08095	4.6
147.11713	27.1
149.09583	10.4
149.13229	6.6
157.10121	16.7
159.11691	6.6
163.11243	7.1
163.14825	2.4
165.12759	7.4
171.11729	3.2
175.11203	17.8
193.12274	43.6
194.12675	3.6
211.13297	49.7
211.15178	3.6
212.74069	2.2
229.19687	3.6
247.20540	3.9
257.19116	4.7
267.15939	23.7
275.20090	57.4
276.20392	4.2
285.16968	96.9
286.17361	6.4
291.19711	3.0
293.21118	13.7
349.23727	21.7
367.24841	25.9
541.35120	15.3
544.54578	2.4
559.36151	23.7
560.36719	3.5
577.37335	25.3
578.38635	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	612.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62924	2.5
51.78713	2.7
53.03945	9.3
55.01873	8.2
55.05512	44.5
57.03435	25.7
57.07087	3.4
59.05009	3.0
65.03944	5.7
67.05508	83.3
69.03429	8.4
69.07073	39.0
70.06596	4.6
71.04998	8.9
73.04768	5.8
79.05498	72.2
81.03425	67.7
81.07059	100.0
81.07529	5.3
83.04980	32.2
83.08619	33.3
85.02902	30.8
85.06541	5.0
91.05468	94.2
92.05788	3.3
93.07050	69.9
94.07381	2.7
95.04980	33.4
95.08610	41.0
97.02954	3.8
97.06535	22.7
97.10177	9.9
99.08154	2.9
105.07037	60.7
107.04969	16.7
107.08594	35.3
109.06516	13.9
109.10149	13.5
111.04459	3.2
111.08079	15.4
115.05512	5.5
117.07037	22.4
119.08593	43.8
121.06539	10.1
121.10153	31.4
123.08070	6.9
123.11690	5.5
123.36226	2.9
125.09634	5.6
129.07016	16.6
131.08580	27.4
133.10138	37.4
135.08118	6.8
135.11716	17.4
135.44283	2.9
137.09647	5.0
140.51715	2.9
142.07849	5.8
143.08607	5.9
145.10138	17.8
147.04488	2.9
147.08118	3.2
147.11691	33.5
149.02386	3.6
149.09613	18.5
149.13278	12.0
151.11160	2.9
153.22917	2.8
155.08652	4.0
157.10124	16.9
157.64328	2.9
159.11652	14.8
161.13292	4.3
163.11171	13.2
165.12767	3.6
167.05644	3.8
169.10144	4.4
171.11731	4.5
173.09665	2.6
173.13335	9.3
175.11185	16.0
177.12732	3.9
183.11772	3.3
185.13438	3.6
191.07016	4.2
193.12242	57.0
195.13832	7.8
197.13342	3.0
211.13315	65.4
212.13573	4.6
227.12714	5.3
229.47249	3.4
239.09663	3.9
239.17967	4.0
253.14119	3.2
255.15915	9.1
256.26340	4.0
257.18958	5.9
267.15933	24.4
269.17413	19.3
275.20068	24.9
276.20331	3.1
285.16925	49.4
317.19638	4.0
318.19693	3.9
336.21103	3.4
349.23730	19.1
355.06967	4.0
357.06589	3.8
357.57980	3.0
461.29111	15.0
465.28592	10.4
475.39963	3.3
479.30069	50.0
480.30505	5.6
559.35883	11.5
577.37646	6.7
612.35217	10.2
613.37830	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	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.8
55.05502	16.2
55.54285	10.4
57.03433	13.3
67.05526	93.9
69.07059	15.1
69.07935	56.5
69.08371	36.2
71.04988	38.3
71.08633	31.7
73.04764	26.7
79.05511	48.7
80.22047	10.4
81.07069	100.0
83.08627	17.1
85.06558	13.9
91.05441	62.2
92.31490	10.5
93.07034	70.3
95.04970	15.3
95.08614	65.8
98.11376	10.4
99.08119	17.9
102.37661	10.9
105.07042	49.7
107.08594	42.3
109.06541	13.0
109.10162	18.9
119.08656	11.8
121.10147	34.3
131.08542	27.5
133.10146	31.2
135.11696	25.8
151.11172	14.9
161.78218	11.2
179.14307	78.0
212.78505	11.5
277.21683	61.2
282.56686	11.1
301.20129	34.7
351.25464	24.0
366.24130	12.7
519.36713	39.2
533.38232	29.9
545.38727	61.3
567.14294	11.6
577.41217	66.3
612.46960	39.5
613.46997	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	8.2
55.05517	34.4
57.03427	21.7
57.19904	7.1
59.81856	7.5
61.28761	6.7
67.05505	88.9
69.07052	17.6
79.05498	72.0
81.03425	77.4
81.07064	89.0
81.10222	8.5
82.76342	6.3
83.08653	21.0
91.05458	49.6
93.07068	55.5
95.04962	18.5
95.08617	63.4
105.07037	50.8
107.08607	38.7
109.10188	17.3
117.07080	10.8
119.08582	39.8
121.10172	26.4
123.11689	8.6
125.09594	11.0
129.06966	12.2
131.08577	26.6
131.63058	7.4
133.10146	22.7
135.11737	23.8
141.31252	7.4
143.08563	7.1
145.10126	19.2
147.11690	14.0
149.09663	11.2
149.13239	16.9
157.10141	15.9
159.11713	12.0
161.13319	8.1
161.73375	8.0
163.11183	7.3
170.60608	6.7
175.11191	10.3
193.12248	17.1
199.05991	8.0
231.24847	6.8
257.47244	8.2
261.22147	20.1
267.15918	94.9
318.95544	7.9
335.25827	100.0
381.24225	7.1
527.37360	57.4
545.38397	17.0
612.46594	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	7.7
55.01870	5.6
55.05511	38.7
57.03436	21.7
57.07069	3.7
62.07084	3.6
65.03945	3.9
67.05511	100.0
68.05854	5.9
69.07074	20.8
71.04994	4.7
74.78046	3.8
79.05498	71.1
80.05831	5.2
81.03423	85.1
81.07063	74.6
83.04988	5.7
83.08624	25.8
85.06559	4.7
85.10154	3.4
91.05479	50.5
91.05936	5.3
93.07045	61.8
94.07403	5.3
95.04967	23.1
95.08607	58.4
96.08948	6.2
97.06522	5.5
97.10178	7.7
105.07035	42.1
107.04973	6.9
107.08593	40.1
108.08936	6.4
109.06535	7.0
109.10167	24.8
111.08118	7.1
113.09677	3.9
117.07009	6.3
119.08608	32.1
120.08961	3.8
121.10162	23.2
123.08049	5.0
123.11696	7.7
125.09612	5.6
129.06987	11.6
131.08594	24.8
132.08969	4.2
133.10164	17.0
134.10512	4.0
135.11703	15.8
137.09596	5.6
138.33337	4.1
143.08594	4.3
145.10146	15.7
147.08076	5.3
147.11714	16.7
149.09624	12.6
157.10126	11.8
159.11751	11.6
161.13297	11.6
163.11191	5.3
169.10092	4.0
171.11769	5.4
173.13283	7.7
175.11198	8.9
187.14861	7.4
193.12260	19.5
197.29999	4.0
212.15036	4.4
259.20514	6.8
261.22202	11.3
267.15930	79.5
335.25854	68.9
336.26169	11.0
342.41385	3.8
453.33606	4.7
470.24384	4.5
527.37268	30.3
545.38226	15.8
612.47052	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01874	4.4
55.05517	30.4
57.03437	18.7
57.07076	5.4
59.83364	3.2
65.03917	4.4
67.05508	95.2
68.68731	2.6
69.03407	3.7
69.04762	15.1
69.05183	11.4
69.07062	27.1
71.04983	3.0
79.05492	62.4
80.05795	4.3
81.02937	2.8
81.03418	85.7
81.07056	86.6
82.07401	8.4
83.04990	7.8
83.08606	27.6
83.26432	3.2
91.05473	56.3
92.05795	4.6
93.07048	73.6
94.07393	5.2
95.04977	26.4
95.08609	61.8
96.08940	5.9
97.06522	8.4
97.10171	10.5
98.23447	4.8
105.07028	43.9
106.07377	5.9
107.04932	9.2
107.08597	36.6
108.08907	4.2
109.06504	5.2
109.10156	26.0
110.10463	3.8
111.08094	8.7
117.07034	10.1
119.08584	38.7
120.08884	6.5
121.10160	28.6
122.08548	3.2
123.11693	10.0
128.06184	3.0
129.06993	14.5
131.08569	31.9
132.08939	4.2
133.06566	2.9
133.10126	26.5
135.11700	21.2
137.09641	3.1
141.07031	4.2
143.08546	3.5
145.10147	19.7
147.11685	22.8
148.12091	3.1
149.09633	5.1
149.13269	11.3
151.11276	2.9
157.10147	16.9
158.10454	3.9
159.11691	12.4
161.13263	11.6
163.14809	3.9
170.10594	3.5
171.11708	4.8
173.13232	11.8
175.11241	6.1
175.14851	4.6
183.11731	5.5
185.13286	3.5
187.14847	7.9
189.11270	3.8
193.12189	21.8
199.14781	4.8
227.12819	6.3
243.21162	6.8
249.14900	3.9
251.69521	3.0
259.20569	4.1
260.20865	4.5
261.22083	18.2
267.15930	100.0
268.16260	3.5
301.25153	5.4
317.24634	4.8
334.24179	3.2
335.25812	64.4
336.26184	12.8
435.32416	5.5
453.33728	3.3
520.42792	4.7
527.37439	42.6
545.38678	18.7
594.45313	4.6
612.47192	52.2
613.46729	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	613.228
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
51.02370	0.9
53.03938	2.1
55.01875	3.4
55.33586	0.9
65.03945	25.7
67.05508	4.7
71.01360	1.5
77.03958	0.9
78.89954	0.8
79.05494	2.3
81.03406	1.1
82.04224	5.5
85.02912	3.1
91.05452	6.1
93.03413	10.9
93.07098	1.3
95.01337	3.7
95.04993	4.4
97.06544	2.7
99.95571	0.8
103.05478	2.6
105.03362	1.3
105.04498	1.0
105.07039	4.1
107.04957	5.4
107.08646	1.2
108.02101	2.8
109.06487	1.6
110.03666	26.3
111.04451	25.8
115.05479	2.0
117.07018	1.4
119.04948	2.0
121.02100	1.6
121.02888	18.0
121.03865	1.9
121.06518	5.1
123.04447	4.5
125.05988	24.7
125.85985	0.9
127.83656	1.0
128.06201	1.1
129.06969	1.1
131.04935	2.2
133.02852	2.4
133.06493	4.2
135.04427	2.3
137.05991	7.5
138.03122	3.4
144.05782	1.5
145.06512	3.7
147.04402	3.5
148.05157	1.4
149.06035	1.1
149.09560	1.2
151.03915	1.8
151.07555	3.6
153.05475	100.0
154.05849	2.8
155.07040	1.8
159.08066	3.9
161.05968	7.3
162.06766	1.3
163.03949	1.7
163.07472	1.3
165.05469	5.8
165.06898	1.8
167.05695	0.9
167.07059	17.5
167.08391	0.9
168.07465	1.5
171.04401	1.2
173.06017	3.4
175.07504	4.9
177.05463	3.7
178.05896	1.1
178.07693	1.7
179.07011	2.2
179.08572	1.9
180.07816	1.8
181.04982	35.1
181.06390	1.6
182.05295	1.1
182.07289	1.9
183.08008	1.0
186.06856	1.3
187.07530	3.4
189.05499	2.8
189.07014	1.0
190.07909	1.2
191.06992	3.2
191.08575	2.7
193.04947	3.3
193.06589	1.7
194.07294	2.1
195.08070	3.3
196.08922	1.0
197.06105	1.4
197.07988	1.1
199.07463	1.9
205.06596	1.4
205.08499	2.1
207.06494	3.4
207.08128	2.2
208.07307	3.2
209.07938	1.9
209.09740	1.9
210.06827	1.5
211.07532	2.8
211.34134	0.9
215.06969	1.1
216.07794	3.3
217.08649	2.2
218.07243	1.6
219.08044	4.1
220.08832	1.6
221.06007	2.2
222.06746	1.6
223.07558	3.9
224.08293	1.9
225.07361	5.7
225.08907	1.5
225.09457	2.1
226.06230	2.2
226.08159	2.0
230.87825	1.1
233.05980	1.5
234.06784	1.8
235.07521	3.0
236.08316	2.6
237.09093	3.4
238.06335	2.3
239.06958	6.1
239.10661	1.5
247.07460	2.2
247.09668	15.6
249.05498	1.3
249.09137	2.4
251.07085	2.4
251.10680	3.7
252.07959	1.3
253.08577	12.9
254.09294	2.9
263.07083	1.5
264.07788	2.3
265.08636	3.9
266.09250	2.8
267.07053	1.1
267.10165	3.4
269.11707	5.7
270.05246	4.1
276.07764	2.3
277.08420	1.9
279.06570	1.5
279.10190	3.0
281.08026	2.5
282.08905	3.2
283.09637	1.7
285.01053	1.1
292.07288	1.0
293.07977	2.5
293.11243	1.1
294.08844	2.1
295.09677	3.5
297.11151	9.3
298.04691	3.4
299.05637	1.8
302.03732	1.0
307.09641	6.6
308.10428	1.3
309.07672	1.4
309.11166	1.6
311.09061	2.0
311.12549	1.5
315.04944	2.5
316.05746	1.8
319.09677	2.9
324.09781	1.1
325.10703	47.9
326.11069	4.8
327.12253	2.8
329.13812	1.6
331.08115	25.2
331.12042	1.2
332.08542	1.2
337.10617	1.8
339.12292	26.2
340.12827	3.2
341.13889	2.1
351.12265	5.9
352.12836	1.8
355.11725	2.2
357.13354	53.7
358.13708	3.8
369.13284	6.0
370.14011	2.5
385.12717	1.8
417.15408	2.0
493.13333	1.1
613.14368	1.6
613.23248	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	613.2294
Annotation	C11830
Peak:m/z	Relative Intensity
53.03945	0.7
55.01868	0.6
59.37326	0.4
65.03928	2.9
66.04282	0.4
66.04722	0.4
67.05504	1.1
69.03419	1.0
69.13587	3.2
78.04720	2.7
79.05492	1.5
81.03412	0.8
82.04189	1.1
85.02906	1.6
91.05473	6.0
93.03423	0.9
93.07080	0.6
94.04230	0.8
95.04956	1.8
97.02876	0.6
97.06509	0.7
98.98489	0.6
103.05460	2.1
105.04514	0.5
105.07027	1.2
106.04171	2.0
107.04957	1.9
109.02859	0.6
109.06499	0.7
110.03664	1.5
111.04431	1.0
115.05461	6.5
117.07018	8.9
119.04939	6.0
120.05231	1.0
121.02868	1.4
121.06499	3.1
122.03669	0.6
123.04436	7.4
124.05252	2.2
125.06004	0.9
127.05444	1.4
130.04132	0.5
131.04857	1.0
133.06511	1.0
135.04395	0.6
137.02327	0.5
137.05981	6.6
138.03102	0.6
142.02618	1.1
143.04921	0.9
144.05711	0.6
145.06474	12.5
147.04411	12.0
147.08083	0.8
148.04771	3.4
151.03920	3.1
151.07573	1.4
152.04709	2.8
153.01831	1.1
153.05447	2.7
155.06036	6.2
161.05995	1.5
164.07011	0.6
165.05478	1.1
167.07042	100.0
168.07381	3.3
171.04491	0.4
171.06461	1.1
173.05991	24.5
174.06386	0.7
175.07600	1.3
176.15405	0.4
177.05482	1.1
179.07022	1.5
181.04956	31.5
182.05299	0.9
189.05370	0.6
191.06966	0.9
192.07787	0.5
201.05493	1.5
202.02177	0.5
203.07016	1.3
205.08577	5.0
219.06599	0.5
231.06471	0.6
233.08072	6.8
235.09622	5.2
241.08784	0.5
265.08771	0.6
274.16797	0.5
303.05023	1.6
304.05222	1.7
305.05591	1.6
309.07443	0.6
311.05728	0.5
311.09183	0.7
325.10645	1.0
355.11685	0.6
357.13348	4.4
358.13507	0.5
377.01816	0.6
385.12814	22.0
386.13190	2.0
387.14377	7.5
417.15460	12.5
418.15741	1.2
476.13550	0.5
512.77490	0.5
583.22028	2.9
613.22461	37.1
614.22900	4.8
631.39844	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	613.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01880	0.7
65.03936	1.1
67.05484	2.4
69.07035	0.5
77.03928	0.6
79.05499	3.8
80.04978	1.8
81.03397	1.6
81.05798	1.3
81.07042	1.3
82.06546	1.8
86.09736	0.7
91.05475	4.8
93.05784	1.2
93.06567	0.6
93.07046	5.8
94.06573	8.9
95.04967	1.4
95.07364	5.9
95.08587	1.1
96.07578	1.0
96.08134	13.3
97.06509	1.4
103.05448	0.9
105.04483	0.8
105.07001	0.8
106.06557	4.7
107.07305	0.8
107.08541	1.1
108.04460	1.8
108.07426	0.9
108.08121	16.7
108.08852	1.1
108.09645	0.6
109.10069	0.7
110.09682	21.8
111.00794	0.6
111.09971	0.7
116.04935	1.6
118.06506	2.5
119.08537	0.7
120.04469	4.6
120.08114	16.1
121.06554	1.3
121.08868	1.2
121.10116	0.9
122.05222	0.9
122.06033	6.9
122.09633	0.9
123.06748	0.9
124.07602	9.9
132.08090	1.1
134.05977	2.3
134.09615	0.7
136.07584	29.0
138.01425	0.5
138.05470	1.2
138.09146	33.2
144.04414	1.9
144.08051	0.7
145.10097	0.8
146.06024	14.9
146.09612	2.5
147.04320	0.5
148.07574	34.7
148.95490	0.6
149.08382	1.1
149.09555	0.8
150.05511	1.0
150.09195	3.1
152.07083	12.3
158.05946	1.1
160.03937	1.2
160.07512	1.3
162.05470	2.5
163.11125	0.6
164.07072	5.5
166.08647	35.5
167.09059	1.2
168.08011	0.6
171.71919	0.6
172.03940	6.3
172.07599	0.7
174.05408	0.6
174.09152	3.8
176.07034	2.0
182.08214	1.6
184.09895	1.1
185.10713	0.7
190.05000	20.3
191.05437	0.7
191.10619	0.7
195.09117	0.7
197.10709	1.5
198.11469	2.9
199.08600	0.6
199.12352	1.3
207.09023	0.7
208.09837	1.3
209.10637	2.7
210.09575	0.8
210.11525	5.2
211.08736	1.3
211.12265	6.8
212.09319	2.9
212.13022	1.5
213.10196	1.5
218.08115	5.8
219.09067	1.0
220.09782	1.0
221.10742	2.3
222.09285	0.8
222.11270	1.0
223.08641	1.9
223.12321	10.1
224.09372	4.1
224.12912	1.4
225.10251	12.2
225.13828	2.1
226.10948	5.7
227.11703	5.5
228.83191	0.7
229.09726	0.7
229.13385	2.7
233.10674	1.6
235.08658	4.4
235.12302	2.5
236.09409	5.2
236.13008	1.3
237.10231	18.0
237.12837	0.8
237.13905	1.4
238.10973	11.5
239.11784	14.7
240.12384	1.1
241.09651	2.2
241.13295	1.4
243.14999	0.7
245.12834	0.9
248.09419	4.4
249.10210	15.3
250.11009	9.6
251.08136	1.3
251.11792	19.5
252.08936	3.3
252.12506	5.6
253.09679	3.4
253.13385	5.4
254.10406	1.1
255.11317	5.9
256.11990	2.9
257.12924	1.2
259.14444	1.3
261.10376	1.2
262.11023	6.0
263.08203	2.1
263.11798	33.0
264.08957	5.5
264.12503	8.9
265.09720	9.4
265.13336	15.0
265.16147	0.9
266.10464	7.2
266.13574	1.4
267.11276	18.8
268.11841	1.8
269.10135	0.6
269.12814	4.0
271.10770	3.3
271.14392	11.5
273.09647	0.8
273.12347	7.7
275.11716	1.2
276.12515	0.7
277.09692	4.0
277.13284	1.6
278.10449	5.2
279.11279	42.4
280.11978	5.7
281.09805	0.7
281.12863	14.9
282.09964	1.6
282.13535	2.0
283.10782	8.7
283.13940	1.1
284.11536	15.4
285.12326	29.2
286.12772	2.0
287.13953	1.7
289.15454	1.3
291.11267	23.8
292.12021	6.9
293.09244	1.8
293.12790	14.3
294.09985	1.2
294.13342	1.0
295.10773	2.9
295.14075	0.8
296.11520	8.5
297.12341	43.5
298.12827	4.6
299.13968	6.3
300.14520	1.1
304.08453	1.2
305.09409	1.0
307.10767	3.0
308.11243	0.8
309.12338	36.1
310.13016	6.1
311.10379	10.1
311.13910	2.1
312.10995	4.6
312.14322	0.9
313.11819	4.6
315.13483	1.5
318.16141	0.9
319.10788	15.9
320.11121	1.6
321.12360	15.1
322.12869	0.9
323.10266	19.6
323.13657	0.8
324.10831	2.6
325.11810	25.6
326.12381	2.4
327.13379	7.6
328.14099	1.1
332.17429	0.9
337.11819	100.0
338.12155	6.8
339.13446	4.3
340.14310	1.4
341.11353	2.8
341.15100	1.0
342.12262	0.9
342.15945	1.2
343.12894	3.2
344.13721	0.8
344.17725	0.8
346.19199	1.4
353.15741	0.9
354.16019	0.9
355.13376	0.7
356.13657	1.3
356.17731	0.7
358.15378	1.4
359.16040	0.7
360.17090	1.0
362.18808	1.0
369.14795	1.4
370.15582	1.9
372.17181	1.7
374.18512	1.2
376.16293	1.4
376.20337	1.5
382.15268	1.0
384.17105	1.3
385.13678	0.7
386.18860	1.1
388.16553	1.8
390.18118	2.0
392.19614	1.6
400.16586	2.4
401.16959	0.8
402.18069	3.0
403.18790	1.1
404.19986	3.1
406.17569	1.1
412.16492	2.8
414.18219	1.7
416.19592	1.6
418.17679	1.9
420.19214	0.9
421.20053	1.4
422.20819	1.5
424.16531	1.0
428.19922	0.9
430.17639	13.7
431.18173	2.4
432.19284	5.3
433.19855	1.1
434.20813	1.3
436.18506	3.4
442.17648	6.1
444.19080	2.2
446.20956	6.2
448.18631	26.5
449.19449	36.8
450.20166	20.9
451.20642	1.7
460.18698	29.4
461.19144	4.8
462.20322	7.8
463.20840	1.8
472.18668	4.2
474.20120	4.7
476.18167	12.5
476.24500	1.1
477.18918	5.4
478.19791	11.0
479.20053	1.1
490.19754	56.3
491.20288	14.7
492.21310	10.8
549.25018	0.9
567.26117	3.5
571.25348	1.3
577.24353	1.3
595.25549	11.9
596.25885	2.0
613.26495	22.9
614.26440	3.6
632.01257	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	613.2985
Annotation	Ohchinolal
Peak:m/z	Relative Intensity
56.27064	0.5
67.05502	0.7
69.60452	0.7
69.60788	2.3
79.05501	0.6
81.07079	1.2
91.05820	0.7
93.07066	0.6
105.07063	0.6
119.08687	0.7
177.01610	1.1
210.51396	0.5
247.05847	1.2
255.82414	0.5
267.32507	0.6
270.13651	0.6
389.23026	1.3
417.22540	2.2
451.24612	1.3
467.27835	4.5
469.25778	3.5
470.26276	0.8
491.27869	1.2
493.25845	1.5
509.28879	3.8
510.29184	1.0
511.26590	1.8
517.26141	0.6
535.26642	4.4
551.29559	0.8
553.27765	10.0
554.28149	0.8
577.28180	1.0
595.28778	17.2
596.29199	1.2
613.29919	100.0
614.30383	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	613.2984
Annotation	Ohchinolal
Peak:m/z	Relative Intensity
71.30132	0.7
72.40811	0.5
73.04785	0.7
81.07049	0.7
81.74364	0.6
91.05856	0.6
93.07040	0.6
95.08622	0.6
108.04271	0.5
154.47604	0.5
177.01701	0.9
247.05940	1.0
285.01041	0.8
389.23111	1.3
397.80594	0.6
417.22522	2.6
451.24609	1.6
459.28000	0.7
467.27841	4.7
468.28360	0.7
469.25739	4.4
470.25729	0.8
491.27365	1.0
493.25818	1.5
509.28726	4.3
511.26718	2.6
535.26630	4.2
551.30182	1.0
553.27948	10.4
554.28021	1.5
569.31268	0.7
571.29163	1.1
595.28766	15.5
596.29419	1.5
606.76251	0.7
613.29993	100.0
614.30328	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	613.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17252	0.3
55.01877	0.4
55.05517	3.2
57.03436	0.7
57.07071	0.9
61.02932	0.6
63.02371	0.5
63.64104	0.4
65.03930	0.5
67.05505	3.4
68.27322	0.4
69.02039	0.8
69.02443	2.2
69.03422	1.5
69.07075	4.7
70.06632	0.3
71.04999	0.6
71.08650	0.5
73.04762	0.4
79.05490	2.2
81.03410	1.0
81.07066	5.4
83.04967	0.6
83.08615	3.7
85.02439	0.5
85.02914	7.3
85.06538	0.4
89.03924	3.8
91.03977	0.3
91.05490	1.6
93.07028	1.8
95.08613	3.8
97.02898	2.0
97.06505	0.9
97.10176	4.8
99.04471	0.7
99.08102	0.4
100.46493	0.4
105.07058	1.2
107.04941	1.2
107.08604	1.3
109.10165	1.6
110.19930	0.3
111.08135	0.5
111.11723	2.2
117.03400	5.3
119.08599	1.3
121.10133	2.1
123.11713	1.1
125.09632	0.6
125.13286	1.0
126.26015	0.3
127.03930	1.3
133.10126	1.5
135.03378	0.6
135.04427	11.9
135.11748	2.1
137.09563	0.6
137.13242	0.7
139.03862	0.6
139.11208	0.5
145.02855	10.5
145.04958	1.3
147.11722	1.0
149.13261	0.5
151.11171	1.1
151.14796	0.4
153.12794	0.5
161.13210	1.0
163.03914	100.0
164.04271	2.5
165.12827	1.0
171.13823	0.4
175.14796	0.5
179.14368	0.4
181.04979	22.1
182.05353	0.5
183.13925	0.4
217.19554	4.9
235.20564	6.6
235.22618	0.3
253.21652	5.6
271.22617	1.2
304.05655	0.4
325.09320	0.7
325.53860	0.4
613.25867	1.1
613.33795	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03961	2.8
55.01868	2.3
55.05513	22.1
56.13269	1.5
57.03445	7.8
57.07075	7.1
65.03934	2.7
67.05508	64.8
68.97828	14.3
69.07068	26.1
71.04997	2.4
71.08636	4.4
71.10236	1.5
79.05502	38.8
81.07062	70.9
83.04984	2.0
83.08621	13.5
85.06530	3.4
87.95652	1.5
91.05485	24.4
93.07047	48.8
95.04981	3.8
95.08612	61.5
96.08987	2.1
96.73156	1.5
97.06556	4.2
97.10178	6.4
99.08109	2.1
105.07041	26.7
107.05001	1.8
107.08590	27.3
108.37834	1.6
109.10159	29.7
111.08069	1.9
117.07014	12.3
119.08585	29.6
121.10146	25.7
123.11730	13.7
129.07039	5.4
131.08589	17.8
133.10129	23.7
135.11702	20.5
137.13274	4.7
143.08542	8.1
145.10132	20.9
146.10580	1.5
147.11694	13.6
149.13260	11.8
151.14865	2.1
157.08850	1.4
157.10194	5.7
159.11710	16.6
161.13258	13.5
163.11198	1.7
163.14828	6.0
165.93452	1.5
169.10205	4.6
171.11713	6.5
173.13257	14.8
175.14868	6.6
177.16484	4.5
179.14365	4.7
183.11784	3.5
185.13283	4.8
187.14876	7.2
189.16505	2.5
199.14941	4.1
201.16493	3.0
203.18112	1.9
213.16496	1.9
215.17998	1.8
227.17926	2.1
229.19733	2.0
241.19618	4.7
243.21341	2.1
257.22598	1.6
259.20651	13.5
261.22208	15.1
273.22293	1.8
277.21710	5.3
277.92581	1.6
288.47891	2.1
295.22690	1.8
299.23636	2.0
329.25122	2.1
333.24353	6.4
335.25842	19.8
336.26376	2.2
337.27380	11.1
338.28156	1.7
503.36902	3.3
517.38953	1.7
521.43597	6.4
539.45239	2.6
595.46979	11.0
596.48120	2.9
613.48273	100.0
614.48492	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03953	3.3
55.01883	2.0
55.05513	21.5
57.03442	4.5
57.07074	8.4
62.20552	1.2
64.90788	1.1
65.03960	3.5
67.05509	36.5
67.90958	1.0
69.07077	17.5
69.25303	1.3
71.08636	11.3
79.05497	22.3
79.05912	1.7
79.18536	1.0
80.05843	1.5
81.03421	1.4
81.07063	37.8
82.07455	1.3
83.05000	2.4
83.08620	9.4
85.06586	1.3
85.10172	2.3
91.05481	24.5
91.06005	1.5
92.05833	1.5
93.07046	25.9
94.07379	1.7
95.05002	3.8
95.08613	28.8
96.08969	1.7
97.06535	2.7
97.10193	4.8
99.08092	6.0
102.49335	1.0
105.07034	25.6
107.08611	12.6
109.06512	1.6
109.10171	11.2
111.08131	1.4
115.05467	2.5
117.07016	11.8
119.08589	27.6
121.06476	1.7
121.10166	8.5
123.08130	2.1
123.11723	5.3
125.42838	1.1
128.06194	2.5
129.07018	10.4
131.08568	22.7
131.09486	1.4
132.08899	1.6
133.10138	11.9
134.10472	1.4
135.11737	6.6
136.12021	1.1
137.13240	2.0
141.07025	4.0
142.07854	1.2
143.08574	13.1
145.10126	23.8
147.08095	1.9
147.11699	7.5
149.13297	4.0
151.11240	5.2
155.08591	4.6
157.10109	9.7
159.11713	9.3
161.09604	1.6
161.13298	8.2
163.14952	2.1
167.08685	1.9
169.10135	7.3
171.11760	7.1
173.13297	6.2
174.38110	1.2
175.14885	4.5
179.14436	2.4
181.10156	3.2
183.05132	1.1
183.11780	4.1
185.13330	7.8
187.11229	3.1
187.14873	5.5
188.15346	1.4
189.16388	2.2
195.11757	2.7
197.13354	4.1
199.14786	7.0
201.16429	6.1
206.65141	1.4
209.13277	2.6
211.14890	4.1
213.16368	3.3
215.18033	2.8
217.15924	2.0
223.14877	1.9
225.16335	1.9
227.18188	1.5
243.21210	1.4
245.22633	1.7
248.56445	1.2
257.22623	1.2
259.20618	1.8
271.20673	1.5
277.21695	1.8
292.87582	1.2
313.27527	3.2
445.23798	1.5
501.35519	1.4
503.42682	1.7
521.43616	9.9
539.44800	4.7
595.47229	9.3
613.48199	100.0
614.48499	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02380	1.4
53.03943	4.6
55.01869	1.3
55.05513	33.5
57.03446	7.6
57.07081	6.6
65.03943	4.6
67.05507	93.3
68.05837	2.2
69.07071	32.5
69.54941	4.2
71.04999	4.2
71.08619	2.7
79.05495	52.6
80.05822	1.4
81.03391	1.6
81.07059	100.0
82.07395	1.3
83.04993	2.3
83.08613	15.8
85.06540	4.6
91.05482	43.9
93.07047	67.1
95.04958	4.9
95.08609	81.7
96.08951	1.5
97.06535	4.3
97.10170	9.9
98.22688	1.3
99.08120	1.9
103.05473	1.2
105.04522	2.1
105.07034	43.7
106.07378	1.6
107.08600	43.5
109.06516	2.5
109.10162	41.6
109.10923	2.2
111.08107	2.8
111.11729	2.4
117.07028	18.5
119.08585	44.6
120.08958	1.9
121.10146	35.4
121.74627	1.1
123.08074	1.4
123.11723	16.0
125.09656	2.5
128.06230	2.6
129.07021	7.1
130.07782	1.6
131.08575	37.6
133.10136	35.6
135.08066	2.9
135.11700	23.7
137.13278	5.2
141.07031	3.3
143.08582	11.2
144.09366	1.5
145.10121	29.2
147.11700	24.1
149.09624	1.8
149.13274	12.7
150.82944	1.3
151.14804	1.8
155.08578	3.2
157.10124	10.3
159.11693	24.9
161.13264	18.5
163.14780	6.9
165.16409	2.3
169.10161	3.6
171.11708	12.4
173.13234	15.3
174.13710	1.5
175.14850	8.8
177.16409	2.4
183.11740	3.8
185.13283	8.0
187.14799	11.6
189.16441	5.9
191.18086	1.2
197.13370	3.5
199.14876	6.7
201.16449	5.1
203.18086	1.6
213.16472	3.7
215.17957	3.0
217.19490	1.8
219.17421	1.5
223.14757	1.4
225.16481	1.7
227.18036	2.5
229.19565	1.6
237.16478	1.3
241.19591	3.8
243.17346	1.4
243.21069	4.1
253.19531	1.4
257.19211	1.5
259.20602	14.5
261.22177	13.5
262.22604	1.7
263.23813	2.0
273.22348	1.5
275.23947	1.2
277.21545	1.9
285.22260	2.9
287.23837	2.3
299.23691	2.3
313.25281	1.5
315.23282	1.3
317.24725	2.5
333.24310	4.7
335.25806	20.1
336.26178	2.3
337.27429	10.0
339.26941	1.2
440.83209	1.1
474.84137	1.2
489.36005	1.4
521.43494	6.0
531.40759	1.9
539.44586	3.2
543.40619	1.5
595.47089	9.6
613.48254	77.5
614.48413	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.66777	3.6
50.82967	4.1
55.05512	23.9
57.03438	6.6
57.07082	6.4
65.03918	4.1
65.39668	4.4
67.05503	66.2
69.07072	21.7
71.08627	12.3
79.05498	37.6
79.56443	4.5
81.07057	71.8
83.08617	21.2
89.06057	5.4
91.05447	31.9
91.10735	4.0
93.07042	41.7
95.04979	6.1
95.08607	49.2
97.06513	4.0
98.22540	9.0
105.07032	36.1
107.04998	5.0
107.08605	21.5
109.10201	26.7
117.07059	8.1
119.08577	26.6
121.10164	21.9
123.11658	6.2
129.07048	5.4
131.08527	20.0
133.08600	6.1
133.10138	25.8
135.11707	13.0
137.05956	21.4
137.09662	5.2
143.08588	10.8
145.10155	17.9
147.11720	15.6
149.13263	5.8
151.11159	4.4
157.10132	7.5
159.11725	14.3
161.13269	8.4
161.51389	5.4
163.11185	5.2
165.16537	3.7
171.11729	9.6
173.13293	12.8
175.14870	5.9
179.14310	8.7
183.11729	4.7
185.13281	5.1
187.14865	5.2
259.20724	6.0
275.20062	8.1
277.17969	7.2
277.21536	5.3
335.25781	5.9
337.27475	5.2
338.17899	4.6
515.37134	14.0
521.43427	9.4
595.47089	8.2
613.39691	6.7
613.48297	100.0
614.48737	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	614.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02376	0.8
53.00309	0.2
53.03947	0.9
55.01880	0.5
56.68223	0.1
57.03434	0.4
57.04452	0.2
61.02899	0.2
63.02380	0.3
69.03432	2.3
70.06588	0.2
71.04992	0.4
71.30887	0.2
79.01855	4.8
79.05476	0.5
80.02185	0.2
81.03420	7.4
82.03719	0.1
85.02912	2.4
87.00845	0.2
89.03922	2.8
91.05479	2.4
93.07047	3.8
95.04967	1.0
97.02899	4.8
99.04447	1.1
103.05472	2.4
105.04517	0.2
107.01315	1.7
107.04935	1.0
109.02886	4.1
113.96273	0.2
117.03379	4.1
119.04941	0.4
121.06510	26.4
122.06849	0.6
123.00800	0.2
123.04399	0.2
124.48874	0.2
125.02363	3.6
127.03921	4.6
131.04810	0.2
135.04422	8.8
136.04756	0.2
137.02350	1.2
137.05943	0.5
138.09142	2.0
139.03917	0.3
143.03398	5.5
145.02855	7.9
145.04840	1.2
146.03221	0.2
147.04407	0.3
151.03946	0.6
153.01833	100.0
153.02885	5.2
154.02156	2.3
158.70288	0.2
161.06021	0.2
163.03905	62.1
164.04240	1.7
164.07086	0.7
171.02890	9.4
172.03215	0.3
180.06586	0.5
191.03316	0.2
193.08534	0.2
207.02931	0.2
211.09654	0.4
237.04305	0.2
248.94217	0.2
270.05310	0.4
279.04965	0.2
287.05533	0.3
297.01050	0.2
297.02649	0.2
297.06067	9.2
300.12311	29.0
301.12738	1.3
303.05142	0.2
315.07153	9.7
316.07388	0.5
316.11597	0.3
331.08163	1.4
462.17456	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	614.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
51.50359	0.3
53.03942	1.5
55.01873	0.4
57.03431	0.4
57.86215	0.4
68.18842	0.3
69.03421	1.2
70.69402	0.8
71.54019	0.3
73.14057	0.3
79.01843	2.1
79.05500	0.7
81.03419	3.9
85.02911	1.0
89.03910	4.8
91.05480	4.4
93.07043	7.1
95.04970	1.5
97.02913	2.0
99.04427	0.7
103.05475	4.2
105.04539	0.4
107.01342	0.8
107.04951	1.3
109.02888	1.9
117.03373	6.2
119.04954	0.4
121.06506	47.4
122.06838	1.2
125.02354	0.8
127.03909	2.7
135.04413	15.1
137.06038	0.4
138.09151	4.4
143.03362	2.8
145.02849	12.3
145.03984	0.7
145.04762	0.4
147.04411	0.8
148.45154	0.4
153.01831	46.1
153.02872	2.1
154.02130	1.0
163.03903	100.0
164.04227	2.7
171.02864	4.1
180.06567	1.4
205.04950	0.4
249.11237	3.3
255.06519	1.6
297.06082	3.3
300.12302	80.7
301.12646	4.9
302.04111	0.4
303.04590	0.6
315.07092	3.1
316.07538	0.4
318.06732	0.5
332.38675	0.4
401.00974	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	614.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06425	5.0
53.03957	5.4
53.78860	4.6
55.01873	7.4
55.05515	42.4
57.03439	25.6
57.07082	6.8
65.03930	5.7
66.80551	4.2
67.05510	88.3
69.07072	29.8
69.45805	4.4
70.06599	21.2
71.05006	10.4
71.08633	16.7
71.29408	5.6
76.27650	4.5
79.05499	90.8
81.03428	62.9
81.07058	100.0
83.04984	32.3
83.08625	38.8
85.02910	21.2
86.09764	5.4
88.07636	8.7
91.05472	86.1
93.07053	63.6
95.04966	45.3
95.08617	49.6
97.06556	16.7
97.10176	8.3
99.08104	18.8
105.03396	16.8
105.07029	36.7
107.04961	9.1
107.08600	33.5
109.06493	5.1
109.10172	15.1
111.08105	18.0
115.05463	4.7
117.07047	14.5
118.94947	4.4
119.08579	37.9
121.10166	15.3
123.08101	8.3
127.38009	4.7
129.07033	20.0
131.08551	25.4
133.10170	26.5
135.11720	12.4
145.10168	6.7
146.11737	5.4
147.11671	16.2
149.02396	22.4
149.05994	57.4
149.09650	13.8
149.13278	17.1
151.11192	26.0
154.88994	5.2
157.10158	14.6
159.11728	13.4
161.13246	5.1
163.11194	14.7
171.11736	6.2
175.11203	20.4
179.14366	6.6
193.05032	18.1
193.12282	56.3
195.13727	9.4
211.13301	69.4
256.26447	13.6
260.68384	5.5
265.83197	4.7
267.15982	27.6
269.17526	20.8
277.21695	19.0
285.16916	46.9
295.22726	5.0
297.07529	9.3
300.29089	19.0
341.10153	54.0
341.91394	5.5
351.25311	23.0
385.08997	9.6
415.20184	5.1
461.29166	13.8
479.30057	83.2
480.30670	7.6
561.37866	9.8
614.37048	76.0
615.36267	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	614.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06425	5.0
53.03957	5.4
53.78860	4.6
55.01873	7.4
55.05515	42.4
57.03439	25.6
57.07082	6.8
65.03930	5.7
66.80551	4.2
67.05510	88.3
69.07072	29.8
69.45805	4.4
70.06599	21.2
71.05006	10.4
71.08633	16.7
71.29408	5.6
76.27650	4.5
79.05499	90.8
81.03428	62.9
81.07058	100.0
83.04984	32.3
83.08625	38.8
85.02910	21.2
86.09764	5.4
88.07636	8.7
91.05472	86.1
93.07053	63.6
95.04966	45.3
95.08617	49.6
97.06556	16.7
97.10176	8.3
99.08104	18.8
105.03396	16.8
105.07029	36.7
107.04961	9.1
107.08600	33.5
109.06493	5.1
109.10172	15.1
111.08105	18.0
115.05463	4.7
117.07047	14.5
118.94947	4.4
119.08579	37.9
121.10166	15.3
123.08101	8.3
127.38009	4.7
129.07033	20.0
131.08551	25.4
133.10170	26.5
135.11720	12.4
145.10168	6.7
146.11737	5.4
147.11671	16.2
149.02396	22.4
149.05994	57.4
149.09650	13.8
149.13278	17.1
151.11192	26.0
154.88994	5.2
157.10158	14.6
159.11728	13.4
161.13246	5.1
163.11194	14.7
171.11736	6.2
175.11203	20.4
179.14366	6.6
193.05032	18.1
193.12282	56.3
195.13727	9.4
211.13301	69.4
256.26447	13.6
260.68384	5.5
265.83197	4.7
267.15982	27.6
269.17526	20.8
277.21695	19.0
285.16916	46.9
295.22726	5.0
297.07529	9.3
300.29089	19.0
341.10153	54.0
341.91394	5.5
351.25311	23.0
385.08997	9.6
415.20184	5.1
461.29166	13.8
479.30057	83.2
480.30670	7.6
561.37866	9.8
614.37048	76.0
615.36267	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	614.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.6
55.01881	18.0
55.05517	46.8
57.03430	16.4
57.07067	10.7
59.05025	5.9
65.03928	7.8
67.05507	82.9
69.03419	13.3
69.07071	24.1
69.65434	3.2
71.04990	12.5
71.08630	12.8
79.05496	58.5
80.05867	4.7
81.03428	66.1
81.07059	83.5
81.31648	4.6
82.07388	7.4
83.04991	28.9
83.08617	48.6
85.02898	24.1
85.06561	7.3
85.10181	7.5
91.05482	71.0
91.33861	3.8
93.07054	66.9
95.04974	53.6
95.08605	44.4
97.02879	5.3
97.06518	17.8
97.10197	4.8
99.08081	12.2
105.07034	65.0
106.07346	6.4
107.04952	12.2
107.08591	27.4
109.06516	13.6
109.10173	31.5
111.08077	36.1
113.06033	5.4
113.09623	12.2
117.07024	12.5
119.08584	51.5
121.06479	6.3
121.10152	40.0
123.08087	17.1
123.11709	10.5
123.86385	3.9
125.05964	8.7
125.09614	7.5
129.06992	19.9
131.08568	30.0
133.06488	4.4
133.10149	34.3
134.69742	4.1
135.08049	7.3
135.11703	15.1
137.09604	10.6
139.11264	3.9
141.06900	4.1
142.07843	7.4
143.08545	11.0
145.10144	20.7
147.08018	8.5
147.11703	41.4
149.02271	5.0
149.05984	9.8
149.09590	14.9
149.13269	8.9
151.11176	10.9
157.10104	24.6
159.07974	4.7
159.11737	9.5
161.13191	7.2
163.11230	22.1
164.62929	3.5
165.12759	23.6
167.10724	12.2
169.10130	3.6
171.11656	7.6
173.09656	3.7
173.13243	9.0
175.11169	18.5
175.14787	6.8
179.14339	9.1
181.12325	9.4
185.13324	5.8
187.14914	4.4
189.12735	5.4
193.04860	4.0
193.12257	58.6
195.11627	6.1
207.11665	4.4
211.11324	3.6
211.13289	86.4
212.13567	7.9
213.54930	4.3
221.13275	4.4
221.15346	7.1
233.13280	4.9
249.22070	5.8
256.26556	4.7
267.15936	35.7
275.20096	10.8
277.21619	62.3
279.04236	4.1
285.16940	100.0
286.17282	5.6
287.18454	6.2
295.22653	16.7
351.25378	31.3
369.26315	36.6
521.34387	5.6
543.37097	20.7
561.37653	28.5
579.38843	35.6
614.36304	18.4
615.33881	5.0
615.41235	8.4
633.52435	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	614.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25800	1.8
53.03944	5.1
55.01873	5.4
55.05513	21.9
57.03431	7.6
57.07074	4.8
59.05017	3.3
65.03931	4.3
67.05507	100.0
69.03438	4.5
69.07063	21.6
71.04998	30.8
79.05490	44.2
79.05916	3.8
81.03422	3.6
81.07059	93.5
83.04971	8.8
83.08609	13.4
85.06538	5.9
91.05477	46.3
93.06473	3.2
93.07046	49.9
94.07391	2.3
95.04967	13.1
95.08612	33.2
97.06526	13.6
97.10162	4.0
99.08096	2.5
105.07034	35.1
107.04955	9.4
107.08591	30.6
109.06516	21.8
109.10156	64.5
109.10911	3.7
110.10460	3.5
111.08089	6.9
117.06983	11.2
119.08585	36.9
121.06493	7.5
121.10135	28.0
123.08064	9.4
123.11684	7.7
124.18565	2.4
125.09639	5.6
129.07025	6.5
131.08554	17.8
133.10129	24.2
135.08064	6.6
135.11674	18.8
137.09608	16.7
141.06932	2.3
142.07762	3.2
143.08597	5.8
145.06448	3.4
145.10149	16.8
147.07996	4.0
147.11671	17.0
149.02260	1.9
149.05981	4.4
149.09645	11.0
149.13248	4.3
149.44485	1.8
151.07494	4.0
151.11169	2.6
155.08543	3.0
155.10651	3.1
156.09158	2.5
157.10136	8.6
159.08060	3.5
159.11636	10.0
161.09656	3.8
161.13307	4.1
163.11151	11.4
165.09068	2.3
165.12727	5.5
167.08418	1.9
167.10690	5.7
169.10074	5.8
169.12219	3.0
171.11714	6.2
173.09648	2.6
173.11717	11.1
173.13260	4.9
175.11166	4.8
175.14761	4.0
177.12726	2.5
181.12260	5.4
183.11684	4.3
187.11172	3.9
187.13219	2.0
189.12659	3.9
193.12247	2.2
195.11710	2.5
199.11166	2.1
201.12608	2.0
201.16496	2.6
203.14317	3.6
207.11580	2.0
207.13893	3.2
211.13237	2.7
221.13235	2.0
221.15306	3.1
222.57690	1.8
229.14313	19.5
229.19420	2.2
233.15361	4.3
243.15810	3.6
247.20610	4.7
255.15840	8.9
257.19019	5.8
258.49954	2.1
259.20587	1.8
267.15967	3.4
267.26926	2.0
275.20068	54.3
276.20639	2.3
287.18506	41.7
288.00739	2.1
293.21088	8.4
301.21671	2.7
341.10120	4.7
349.23706	23.9
367.24841	17.9
455.56796	2.1
503.26627	3.4
503.33710	53.4
504.33868	5.0
517.35120	3.9
521.34790	20.5
529.35254	24.9
530.35590	3.6
547.36188	21.2
561.37720	17.0
562.38184	2.7
579.38928	14.0
614.37219	7.3
615.40558	3.2
636.70642	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	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83522	2.7
53.03940	6.6
55.05514	21.2
57.03438	15.3
67.05508	55.4
69.00132	19.2
69.07067	25.0
71.04993	4.4
78.05181	2.9
79.05495	23.3
81.03419	71.7
81.07059	63.3
83.04962	4.4
83.08624	24.8
89.06023	4.3
91.05484	22.0
93.07034	20.2
95.04958	23.2
95.08605	43.9
97.02919	3.1
97.06522	5.4
97.10142	7.8
97.46117	2.8
101.72118	3.2
105.07021	16.2
107.04950	6.6
107.08586	11.7
107.31025	3.4
109.06481	3.3
109.10136	19.7
110.19153	2.9
111.08068	9.2
119.08571	16.8
121.06507	3.2
121.10146	13.0
123.11658	8.4
129.07011	6.7
131.08575	10.7
133.10127	8.9
135.11716	5.4
142.13655	3.1
142.20012	3.3
145.10103	4.4
147.11688	8.2
149.09601	4.6
157.10123	11.1
161.13304	4.5
175.11234	6.4
189.11346	4.3
193.12239	21.3
245.22643	5.4
249.15286	3.5
263.23621	7.1
267.15915	100.0
268.16251	5.5
303.26709	3.3
307.72656	3.1
337.27350	87.2
338.27689	7.5
342.64355	3.1
362.84161	3.3
455.34949	5.5
529.38879	67.9
530.39673	4.7
547.39838	19.9
548.40576	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.7
57.03447	2.0
57.07074	5.5
60.71954	1.7
67.05508	23.0
69.07068	5.7
70.98344	1.6
71.04993	5.3
71.08636	6.1
73.06571	2.5
79.05506	11.5
81.07065	25.1
83.08634	3.3
85.10212	2.7
87.04463	6.3
89.06036	100.0
91.05473	11.2
91.07600	1.7
93.07056	13.3
95.08624	10.7
97.10163	3.9
105.07040	5.1
107.08605	6.8
109.10145	4.9
117.07047	3.8
119.08610	4.8
121.10157	6.8
123.11718	3.3
131.08577	5.9
133.08606	58.3
133.10127	6.6
135.11682	4.9
145.10155	4.6
147.11725	2.4
149.13275	2.9
159.11646	2.5
173.13266	2.1
177.11247	23.9
182.06924	1.8
183.21146	1.8
189.21602	2.0
221.13873	5.0
241.19485	1.7
279.53735	1.8
281.13498	1.7
301.19879	3.9
335.25784	6.5
371.22873	1.9
395.45755	2.0
415.25342	16.9
503.37305	11.8
529.38873	15.5
561.41241	4.5
615.39655	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	614.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87249	1.6
55.05510	4.8
57.03437	1.6
57.07078	61.7
58.63103	1.5
67.05505	12.4
69.07069	9.8
69.24152	10.6
71.05001	1.7
71.08632	49.8
73.06552	6.4
79.05493	7.1
81.03387	1.8
81.07046	9.4
83.08607	6.9
85.10182	29.4
87.04475	9.7
89.06033	100.0
90.06343	1.7
91.05493	4.6
93.07049	7.2
95.04984	2.3
95.08610	3.3
97.10162	4.5
99.11732	6.3
105.07030	4.1
107.07062	3.4
107.08611	2.7
109.10149	3.0
111.11713	4.0
113.13276	6.7
117.06991	2.2
117.09116	7.7
121.10115	3.7
125.09629	1.7
125.43126	1.8
127.14830	4.0
130.08673	2.3
131.07071	1.6
131.08517	1.6
131.91071	1.7
133.08604	67.0
135.11652	2.6
145.10179	2.1
169.82933	1.5
177.11230	29.0
177.12672	3.1
180.13783	1.7
185.46883	1.6
221.13785	4.5
227.23674	1.9
239.14926	2.0
269.17435	3.1
271.26276	2.0
283.17545	3.8
301.16586	1.9
315.28943	2.5
335.25836	2.8
338.41016	1.6
363.54257	1.6
371.22397	2.6
377.33926	1.7
415.25351	6.5
477.77939	1.9
597.45660	8.2
614.37646	2.9
614.47766	3.0
615.38330	3.0
644.62195	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	615.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.8
51.02373	1.7
53.00309	2.8
53.03951	2.6
55.01876	0.6
57.03428	0.3
61.78936	0.2
63.02359	0.2
67.01857	0.3
68.99783	0.5
69.03429	4.9
71.05002	0.5
71.31799	0.2
79.01856	9.6
79.05496	0.6
81.03418	11.9
89.03921	0.3
93.03436	0.2
95.01339	0.3
95.58166	0.2
97.02888	5.4
99.04467	1.3
102.78787	0.3
105.03390	0.9
107.01320	1.9
107.04960	1.0
109.02879	17.5
110.03187	0.3
117.03384	0.8
123.00780	0.6
125.02354	3.7
127.03918	13.0
133.02850	2.1
135.04385	0.5
137.02367	0.4
143.03398	8.1
145.02835	0.6
151.03885	0.7
153.01831	100.0
153.02921	7.4
154.02156	2.3
161.02338	4.1
162.03091	0.4
163.03917	5.8
165.01813	1.2
171.02869	0.4
173.02350	0.7
175.03915	0.4
177.01744	0.5
177.05457	0.2
179.03395	2.5
181.01326	0.5
189.01836	6.1
190.02458	0.4
191.03412	5.2
193.01350	1.5
195.02837	0.5
197.00809	0.4
197.06065	0.2
201.01883	0.7
203.03366	0.3
205.01405	0.3
205.04967	0.3
207.02895	7.0
208.03035	0.3
209.00774	0.4
217.01326	10.0
218.01881	0.8
219.02890	6.8
221.00809	5.2
222.01248	0.3
225.32942	0.2
229.01382	0.3
233.04379	0.5
235.02365	10.5
239.01871	0.5
245.00819	8.2
245.03358	0.5
246.01187	0.5
247.02402	2.5
261.03952	0.8
263.01843	3.7
271.02396	0.2
273.00305	4.9
274.00839	0.3
275.01801	0.7
291.01385	2.7
297.06030	0.4
300.99780	1.7
302.00458	0.3
303.16724	0.2
309.02341	0.3
319.00833	41.6
320.01221	1.8
371.04074	0.6
427.02853	0.5
445.04022	14.5
446.04266	1.1
584.19897	0.3
615.05823	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	615.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.5
51.02383	1.1
53.00312	2.1
53.03952	1.7
53.41216	0.2
55.01874	0.4
67.01850	0.2
68.99805	0.3
69.03434	3.9
70.06587	0.2
71.04999	0.5
71.27917	0.1
71.28340	0.2
79.01857	8.3
79.05504	0.5
81.03421	9.5
83.01345	0.3
85.02920	0.3
87.00852	0.2
89.03922	0.3
91.05499	0.2
95.01337	0.3
97.02901	4.5
99.04453	0.9
105.03405	0.6
107.01318	2.1
107.04961	0.7
108.12193	0.1
109.02884	13.2
110.03223	0.3
117.03394	0.6
123.00825	0.5
123.04433	0.3
125.02366	3.5
126.42431	0.1
127.03924	11.3
131.04942	0.3
133.02864	1.8
135.04416	0.4
143.03406	7.6
144.03731	0.3
145.02876	0.4
147.04449	0.5
151.03918	0.6
153.01837	100.0
153.02907	6.6
154.02156	2.4
159.04453	0.4
161.02341	2.5
162.02841	0.2
163.03912	4.5
164.04277	0.2
165.01851	0.9
171.02841	0.2
173.02388	0.5
173.65530	0.1
177.01843	0.2
177.05482	0.2
179.03375	1.7
181.01331	0.4
187.03851	0.2
189.01825	4.5
190.02499	0.4
191.03395	4.8
193.01381	1.1
195.02939	0.3
197.00841	0.3
201.01895	0.6
203.03487	0.4
205.01259	0.3
205.04997	0.6
207.02905	5.7
207.04892	0.3
209.00879	0.3
209.04375	0.2
217.01331	7.3
217.41989	0.2
218.01859	0.5
219.02872	5.5
221.00838	4.1
221.02530	0.1
222.01129	0.2
233.04372	0.8
233.84039	0.2
235.02380	9.6
236.02805	0.4
238.00954	0.2
239.01840	0.5
245.00815	5.1
246.01364	0.2
247.02380	1.7
261.04044	0.8
263.01907	2.7
266.25278	0.2
273.00317	3.9
275.01962	0.4
279.04904	0.2
291.01352	2.7
292.01758	0.2
297.06094	0.3
300.99850	0.7
309.02573	0.5
319.00842	35.5
320.01218	1.4
371.03955	0.7
427.03009	0.5
445.04025	11.1
446.04401	1.1
615.06024	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	615.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
51.12001	0.7
53.00299	0.3
55.01876	0.9
60.40249	0.3
65.03941	0.4
67.05473	0.4
68.44170	0.3
68.99796	0.9
69.03433	0.6
70.06584	1.0
70.43784	0.5
70.44125	0.7
71.01360	0.8
73.02920	1.3
79.01863	3.5
79.05497	1.1
81.03400	0.4
85.02900	3.6
86.09720	0.7
89.03937	0.3
91.05455	1.5
95.01332	2.2
95.04948	0.6
97.02902	2.1
99.00852	0.3
102.45790	0.4
103.05469	0.4
105.03397	1.2
107.01305	0.8
107.04951	2.7
109.02857	0.3
111.00834	0.7
111.04456	0.8
113.02374	1.4
117.03379	0.9
119.04952	2.1
121.02882	2.9
121.06519	0.5
121.59855	0.4
123.04469	0.9
125.02372	2.7
127.03951	0.7
131.03394	0.6
133.02878	2.2
134.03673	0.5
135.04439	2.1
137.02347	1.6
138.03120	1.3
139.03931	4.4
141.01852	4.9
143.03413	5.8
145.02852	1.1
145.10130	0.3
145.59180	0.3
147.04422	5.4
149.02333	0.8
151.03920	1.8
153.01836	100.0
153.02885	5.1
154.02187	2.2
155.30284	0.4
157.04933	0.3
159.02904	0.6
162.03168	0.6
163.03912	13.8
164.04251	0.6
165.01871	3.2
165.05453	1.4
167.03404	2.7
171.02863	0.6
173.02328	0.5
175.03920	3.9
177.01834	1.1
179.03410	10.4
180.04083	0.7
181.01364	0.4
181.04948	1.7
183.02911	3.5
190.02768	0.3
191.03398	32.5
192.03746	0.9
193.04996	2.4
195.02899	13.8
203.03439	1.1
205.04987	1.4
207.02910	8.3
208.03677	11.2
209.04460	13.4
213.05516	1.2
219.02898	6.8
221.04506	2.0
223.02409	1.1
225.03935	0.5
231.02913	1.4
231.06529	0.5
235.02458	0.4
236.00957	0.5
236.03172	5.5
237.03951	16.5
237.06375	0.8
241.04839	0.7
247.02414	5.4
249.03903	4.0
257.00723	0.4
258.05319	0.9
265.03448	20.4
266.03754	0.9
267.05002	16.2
268.05441	0.8
275.01852	4.1
287.05505	78.4
288.05878	3.9
293.03015	1.8
311.03934	5.3
329.04999	12.6
425.56711	0.4
463.08734	0.7
491.03693	0.4
583.37811	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	615.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39216	0.2
51.02390	0.3
51.89688	0.4
52.03165	0.2
53.03944	0.6
54.04337	0.2
55.01856	0.5
57.03443	0.3
57.31690	0.2
65.03945	1.7
67.05503	1.4
68.99802	0.4
69.03419	0.5
70.06625	0.5
71.29335	0.4
81.03421	0.9
85.02918	0.8
86.09729	0.6
86.90840	0.2
93.03419	0.5
95.04980	0.9
97.02889	0.3
105.03409	0.2
108.02097	1.7
109.02885	0.7
111.00803	0.4
111.04447	1.5
121.02880	0.5
121.04052	0.2
123.04453	0.4
125.06007	0.5
127.03899	0.5
136.01564	0.6
137.02330	1.6
141.05472	1.6
151.03912	100.0
151.04967	6.4
152.04250	2.9
152.05368	0.3
153.01828	3.0
163.03905	0.7
165.01825	0.9
169.04959	0.9
173.05972	0.4
177.05568	0.4
183.02890	0.5
201.05484	0.8
229.05005	1.9
247.06084	0.4
253.07195	0.2
257.04474	1.5
274.04697	0.4
285.04074	0.6
287.05515	0.4
295.08151	0.5
303.04990	52.0
304.05319	2.8
313.09189	4.2
314.09439	0.5
315.05276	0.2
345.06070	0.6
570.25684	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	615.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
51.47420	0.1
53.03943	0.5
53.82523	0.1
55.01869	0.4
60.20258	0.1
65.03938	0.3
65.85387	0.1
66.01090	0.3
68.99803	0.3
69.03415	0.7
71.01342	0.2
79.01868	0.9
79.44060	0.1
81.03423	2.9
85.02904	0.5
91.05427	0.2
93.03419	0.2
94.04205	0.4
97.02895	1.3
98.22589	0.5
99.04465	0.3
107.01289	0.3
107.04938	0.2
109.02882	1.3
111.04459	0.7
121.02863	4.4
121.06477	0.1
125.02365	0.5
127.03934	1.4
134.03644	0.4
137.02356	17.4
137.03441	1.5
138.02684	0.2
143.03394	1.0
151.03879	0.8
153.01834	20.9
153.02844	0.9
154.02176	0.5
155.03371	0.9
157.06509	0.3
165.01869	0.1
171.02927	1.4
171.04286	0.2
184.05220	0.5
187.03796	0.1
188.04668	0.9
193.01256	0.3
201.05481	0.3
202.06163	0.2
212.04709	0.7
213.05492	1.9
217.05002	0.3
228.04099	0.5
229.04922	1.6
229.43510	0.1
230.05605	0.3
240.04207	0.5
241.04936	1.4
242.05740	0.5
245.04527	0.2
249.11220	0.4
250.11392	0.2
257.04498	1.0
258.05255	6.1
259.05673	0.3
269.04498	0.4
274.04700	1.0
281.06546	1.2
285.03943	14.1
286.04715	46.2
287.05078	2.9
297.06046	1.9
299.07803	0.2
301.07056	100.0
302.04166	9.1
302.07434	5.9
303.04745	0.6
315.07123	0.5
317.06555	20.2
318.06940	1.4
479.11365	0.3
615.13019	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	615.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03957	5.7
55.01883	2.5
55.05509	17.4
57.07071	12.9
59.05008	19.3
65.03944	4.2
66.17921	1.9
66.78435	1.6
67.05503	29.1
69.03432	9.2
69.07051	13.5
71.05004	2.7
73.06554	5.5
79.05499	24.0
81.07054	33.2
83.04984	7.2
83.08633	6.7
85.06538	20.0
89.06087	1.8
91.05479	47.2
91.06007	3.3
93.07044	56.9
95.04977	11.1
95.08602	40.7
95.09154	3.4
97.06549	5.1
97.10151	2.1
99.08115	3.7
102.88038	1.7
103.05499	5.2
105.04525	2.2
105.07027	68.0
107.04993	2.2
107.08591	46.0
108.05796	2.3
109.06513	11.0
109.10159	23.7
110.34383	2.2
111.08058	9.0
115.05480	4.2
117.07018	16.9
119.08578	82.2
120.08919	2.7
121.06497	8.9
121.10137	35.1
122.07276	4.1
123.08072	44.7
123.11729	5.1
125.06022	5.3
125.09619	14.1
125.49819	1.7
128.06212	8.3
128.81378	1.6
129.07033	11.0
130.07840	4.3
131.08577	32.6
133.06517	2.8
133.08618	2.0
133.10135	53.1
134.10426	2.5
135.08081	15.5
135.11690	22.2
137.09616	14.0
139.07491	2.5
139.11160	3.2
142.07779	13.2
143.08575	21.6
144.09344	6.1
145.06575	2.5
145.10121	41.8
146.10394	2.9
147.08022	16.2
147.11684	19.7
149.09605	10.3
149.13263	3.8
151.07547	46.1
151.11157	13.2
153.07036	2.4
154.07849	2.9
155.08540	9.6
156.09344	11.7
157.10112	30.1
157.11430	1.9
158.10916	5.0
159.08112	6.6
159.11685	27.0
161.09618	12.5
161.13216	9.5
163.11153	10.6
165.07036	3.0
165.09100	31.7
167.08609	4.2
168.09367	4.6
169.10085	14.5
170.10933	5.3
171.11699	19.0
173.09671	3.6
173.13275	16.2
175.11244	5.5
175.14796	22.1
175.15959	1.9
177.09184	2.6
177.12816	4.7
179.08623	4.7
179.10770	2.4
179.14297	2.1
180.09355	2.7
181.10117	9.1
181.12213	16.1
182.10887	5.4
183.11751	12.6
183.13799	2.1
185.09654	2.5
185.13274	13.1
187.11169	3.7
187.14839	6.2
189.12711	13.6
191.10660	3.5
191.14363	7.5
192.09380	3.9
193.10199	6.6
193.12213	3.6
194.10938	4.5
195.11711	11.6
195.13573	1.8
196.12483	3.8
197.13277	16.9
199.14935	7.3
201.12807	6.0
201.16495	3.2
203.14322	16.6
207.11731	9.2
207.13876	16.6
208.12561	3.4
209.13292	11.4
209.15340	4.7
210.13899	2.4
211.11330	4.0
211.13287	6.9
211.14932	6.7
213.12724	3.4
213.16295	2.5
215.14320	3.6
219.11855	2.5
219.17493	3.0
221.13330	7.6
221.15341	94.6
222.15872	3.5
223.14856	8.4
223.17024	14.7
225.16530	2.9
227.14352	2.5
229.15939	2.2
231.11780	2.0
231.17455	3.1
232.12325	2.0
233.13269	3.7
233.15369	3.5
234.13991	1.9
235.14883	7.6
236.15347	1.7
237.16525	5.0
241.16017	2.6
243.01971	1.9
247.17050	2.8
249.18536	2.7
251.16521	7.0
251.48425	1.8
265.19601	1.9
269.19080	2.1
277.17953	2.4
281.19046	2.7
283.20627	2.6
285.18777	1.8
286.19357	6.6
287.20181	5.6
293.19016	2.0
295.20474	2.8
297.21988	2.2
299.20163	7.7
301.21729	3.8
305.22995	1.9
311.20108	3.3
313.22168	2.3
331.22745	3.8
349.25220	2.4
350.35941	1.8
375.27014	5.2
384.97336	1.8
385.28784	2.4
403.30051	3.5
435.32559	2.1
491.35367	9.3
565.40149	4.9
583.41571	24.4
584.41913	5.1
597.42889	11.8
615.44080	100.0
616.44336	14.4
628.93134	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	615.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.8
54.10761	1.8
55.01894	2.4
55.05509	19.3
57.07078	14.2
59.05001	26.0
60.05352	1.8
65.03944	5.3
67.05507	29.3
69.03426	9.2
69.07079	16.7
69.65935	1.9
70.00766	2.0
70.62466	2.0
71.04982	3.1
73.06553	7.8
76.91608	1.6
79.05498	27.9
81.03433	2.2
81.07060	41.2
83.04985	6.5
83.08611	5.9
85.06552	26.6
89.06044	3.5
91.05479	48.4
93.07048	66.5
95.04963	15.6
95.08605	48.0
97.06544	7.5
99.08107	2.0
100.46252	1.8
103.05498	4.1
105.04526	2.5
105.07032	70.8
107.04982	2.0
107.08592	44.7
109.06522	14.9
109.10156	20.9
111.08078	11.2
115.05452	4.9
116.06231	2.9
117.07035	15.3
119.08579	82.4
121.06491	10.1
121.10153	42.3
123.08067	42.0
123.11734	7.7
125.06021	11.7
125.09654	17.2
128.06235	8.4
129.06995	15.8
130.07817	7.5
130.08969	1.9
131.08580	33.8
133.06479	3.7
133.08594	2.4
133.10133	57.8
135.08041	15.9
135.11713	20.3
137.09648	14.8
139.07558	2.6
141.07002	4.7
142.07799	13.6
143.06128	1.9
143.08560	25.5
144.09349	8.7
145.10132	44.2
147.08052	27.6
147.11690	19.6
149.09621	11.1
149.13280	3.6
151.07556	39.4
151.11195	8.8
153.09142	3.2
154.07788	3.0
155.08571	9.7
156.09373	12.8
157.10136	31.0
158.10938	3.8
159.08116	6.2
159.11705	28.5
160.12445	2.9
161.09628	12.7
161.13268	10.2
163.11168	21.8
165.07019	4.0
165.09119	44.6
167.08546	3.3
168.09343	5.9
169.10109	16.8
170.10915	5.0
171.11703	19.6
173.09610	4.8
173.13293	19.6
175.11247	7.7
175.14861	19.4
177.09120	2.5
177.12744	4.5
179.08591	5.7
179.14352	3.3
180.09343	2.3
181.10164	6.6
181.12225	17.7
182.10959	6.9
183.11714	18.2
183.13306	2.6
185.13274	12.2
187.11214	8.6
187.14845	9.0
189.12816	15.4
191.14375	5.4
193.10248	6.8
193.12238	5.1
194.10942	6.3
195.11719	13.9
195.13348	2.1
196.12457	3.8
197.13254	9.9
198.13783	1.8
199.11246	3.1
199.14851	5.6
201.12822	4.7
201.16418	6.0
202.13480	2.1
203.14334	22.6
205.16043	2.5
206.11050	3.6
207.11745	11.7
207.13879	16.8
208.12448	4.6
209.13287	16.2
209.15175	2.8
210.14009	2.7
211.11342	2.1
211.13275	5.3
211.14938	6.5
213.12770	2.7
215.14456	3.6
219.11668	3.3
219.17397	2.3
220.12440	3.6
221.13371	3.9
221.15359	100.0
222.15721	3.9
223.14856	5.8
223.16982	9.5
225.12820	4.3
225.16530	4.0
227.14415	4.2
229.16077	3.3
232.12521	2.1
233.13094	3.3
233.15302	2.2
235.14769	4.2
236.15544	2.7
237.16330	3.2
239.17912	2.0
241.15775	2.7
247.14789	2.7
249.16475	3.8
251.16261	10.0
253.15790	2.4
253.19594	2.8
255.17342	2.0
261.16476	3.3
263.17920	2.7
265.19565	2.0
271.16928	5.2
281.19064	2.4
286.19263	12.2
287.20032	4.8
297.21997	2.9
299.20145	4.2
339.37115	2.5
375.27042	3.8
403.30368	2.9
430.48572	1.9
491.35257	8.2
565.40131	3.8
583.41492	19.4
584.41736	4.7
593.46228	2.0
597.43011	6.6
615.44073	74.1
616.44263	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	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01867	1.9
55.05278	1.2
55.05518	17.6
57.03445	5.3
57.07080	8.3
65.03947	2.8
66.81421	0.8
67.05506	40.2
68.05867	0.9
69.07073	23.9
69.85776	0.7
71.04977	1.0
71.08632	3.0
79.05497	26.4
81.07062	43.5
82.07386	1.6
83.04990	1.9
83.08630	14.5
85.06553	1.7
85.10183	2.5
85.19838	0.9
89.06012	0.9
91.05486	19.6
93.07045	30.9
93.07635	1.7
95.04964	2.3
95.08614	33.5
97.06540	2.6
97.10166	5.4
99.08089	1.7
103.05437	0.8
105.07037	21.9
107.08595	20.4
107.09278	1.5
109.06552	1.2
109.10155	15.2
111.08089	2.7
111.11723	1.3
115.05489	0.9
117.07037	6.0
119.08585	24.5
119.09441	1.2
120.08938	1.1
121.10151	15.1
122.10474	0.8
123.08082	1.3
123.11713	4.7
125.09612	1.6
129.07022	2.7
131.08578	13.9
133.10136	15.2
135.08070	0.9
135.11717	10.4
137.13286	2.7
139.11192	1.2
143.08592	5.3
145.10127	16.1
147.11719	8.1
149.13280	6.0
151.11241	0.8
151.14786	1.1
155.08542	1.8
157.10168	4.2
159.11674	7.7
161.13274	8.5
163.14859	3.7
165.12817	1.0
169.10179	2.0
171.11705	5.5
173.13304	5.8
175.14853	7.5
177.12799	1.3
177.16426	2.7
181.10144	0.9
183.11693	1.8
185.13234	3.8
187.14844	4.5
189.16400	3.7
191.18033	1.1
195.11760	0.9
197.13217	1.8
199.14854	3.6
201.16449	4.9
203.17926	1.4
207.21101	1.0
213.14790	1.1
215.17989	3.0
217.19588	1.4
219.17555	1.2
219.21085	1.4
227.18042	1.0
229.19620	2.2
231.21086	1.5
233.22850	2.0
241.19534	2.1
243.21063	1.8
245.22803	1.0
259.20496	1.2
261.22198	2.1
273.22217	2.0
275.20132	1.1
275.23758	1.2
277.21768	1.3
279.23074	1.1
287.23856	1.2
289.25241	1.6
299.23740	0.8
301.25299	2.4
313.25348	0.9
315.23364	0.8
315.26892	1.0
333.24161	1.1
335.25964	2.9
337.27295	4.9
339.28915	1.1
399.36462	1.1
406.29599	0.9
503.37177	1.4
505.44553	1.1
515.10443	0.9
517.38611	1.1
523.45093	4.9
541.45996	2.9
597.48688	9.7
598.48718	1.5
615.49805	100.0
616.50165	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	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.1
53.03952	4.6
55.01867	1.7
55.05518	32.4
57.02106	1.1
57.03448	7.9
57.07091	7.7
65.03954	4.1
66.53153	1.0
67.05513	75.9
68.05858	1.4
69.07076	39.2
71.05008	3.1
71.08636	4.5
79.05502	42.3
81.01300	1.1
81.07066	81.7
83.05006	3.1
83.08627	21.4
84.61591	1.3
85.06548	3.7
85.10199	2.2
91.05492	32.8
93.07055	54.8
94.07402	1.9
95.04991	3.8
95.08617	68.4
96.08942	1.5
97.06550	4.2
97.10181	11.5
99.08099	3.2
105.04542	1.5
105.07040	33.1
106.10592	1.2
107.07875	1.9
107.08603	32.7
108.08910	1.1
109.06558	1.7
109.10166	29.9
111.08105	3.9
111.11745	2.1
113.09698	2.0
115.05466	1.1
117.07036	10.0
119.08597	33.5
121.10162	25.3
123.08057	1.2
123.11718	10.7
125.09686	2.0
127.11263	1.4
129.07014	4.6
131.08578	16.8
133.10143	20.4
135.11703	15.9
137.09634	1.4
137.13301	4.4
139.11284	1.2
142.07837	1.2
143.08594	4.1
145.10149	18.8
147.11708	19.8
149.09654	1.9
149.13260	11.8
151.14868	2.4
157.10193	4.7
159.11665	10.9
161.13243	10.5
163.11200	1.1
163.14799	5.6
169.10153	1.6
171.11732	4.6
173.13298	9.8
175.14854	7.7
177.12849	1.2
177.16466	3.3
185.13345	3.8
187.14879	5.8
189.16457	3.6
191.17986	1.4
199.14885	3.4
201.16425	4.8
203.18059	2.5
204.27457	1.1
205.19540	1.5
205.71667	1.2
213.16385	1.7
215.17990	2.2
219.21133	2.5
223.16910	1.2
227.18198	1.4
229.19582	1.4
231.21152	1.2
233.22678	1.9
241.19626	2.3
243.21149	3.8
247.20686	2.0
259.20596	7.7
261.22183	14.4
263.20087	1.3
263.23624	1.8
273.22211	2.5
277.21948	1.9
287.23724	1.5
315.23380	1.2
317.24884	2.8
333.24390	3.2
335.25836	12.9
337.27438	16.2
338.27728	2.0
339.29138	5.2
523.44672	5.2
531.40497	1.8
541.46265	4.0
597.48877	16.3
598.49695	2.4
615.49860	100.0
616.50134	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	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.9
57.03447	6.4
57.07069	9.9
65.03955	9.2
67.05508	60.9
69.07079	37.2
71.08626	10.1
79.05504	37.1
81.07061	66.5
83.08624	17.9
89.06021	15.4
91.05494	27.9
93.07032	52.3
95.04987	6.6
95.08607	50.2
97.10180	9.8
105.07018	21.7
107.08601	27.5
109.10170	18.1
111.59917	5.6
116.66492	6.5
117.07003	8.0
119.08592	25.6
121.10143	25.1
123.11691	6.6
131.08548	12.6
133.10156	23.1
135.11714	14.5
144.49666	7.9
145.10161	16.0
147.11719	12.4
161.13312	8.8
175.14813	10.6
185.13356	5.9
187.14883	8.9
209.71037	5.8
214.41730	5.9
217.19672	5.8
219.17822	6.3
277.21515	6.5
335.25891	6.9
337.27280	8.7
363.79297	6.5
371.88733	6.3
597.48383	13.3
615.49805	100.0
616.50488	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	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04116	2.8
69.03429	8.1
71.30605	3.5
71.31052	3.6
72.87660	3.0
76.79390	3.2
79.01862	5.9
79.05488	8.8
81.03424	11.9
83.28045	3.1
84.42358	3.0
85.02913	12.2
90.35355	3.4
91.05499	4.6
97.02907	5.2
107.04960	21.3
109.02924	4.1
114.48225	2.8
117.07061	3.7
121.06551	4.1
123.04426	11.7
124.05244	5.1
125.02347	2.8
127.03908	7.6
129.07010	5.0
131.08562	6.8
137.02388	3.3
137.05968	9.2
139.03957	3.7
143.03416	6.1
144.05681	5.8
145.06480	9.1
146.25066	3.3
151.03903	5.0
153.01834	100.0
154.02133	5.0
156.05695	6.6
159.08078	8.3
161.06093	5.4
167.07045	84.5
168.07281	3.9
171.02875	4.6
173.05945	17.0
179.03342	3.3
181.08618	12.4
181.17342	3.2
187.07532	11.7
189.09044	3.4
190.06236	5.1
205.08569	19.7
214.72124	3.1
217.08591	33.9
219.08223	5.9
219.10191	8.6
231.08153	4.3
231.10199	14.2
233.09618	3.9
239.06984	3.3
247.07462	6.7
247.09697	7.5
248.08110	5.2
249.11221	8.5
263.07025	3.8
263.10648	6.3
264.07828	7.1
265.10864	3.9
271.09674	4.4
276.07758	4.9
277.03403	9.0
279.10205	7.7
287.05469	21.1
288.05817	10.6
290.09116	3.1
291.09973	5.5
293.08072	3.8
297.06223	5.0
301.07141	4.4
303.01462	7.8
303.04941	58.2
304.05365	5.7
307.09534	4.3
315.08798	17.4
319.09763	4.1
323.12714	4.4
330.11038	21.1
331.11639	5.5
337.10828	3.8
339.12393	6.7
351.12039	7.7
368.12653	5.6
371.15140	6.4
372.91705	3.2
383.14862	60.9
384.15005	3.5
385.16458	19.7
401.15918	30.6
616.10309	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	616.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99486	1.6
54.82149	1.5
55.05503	3.1
57.07080	23.8
57.85350	1.6
67.05496	2.4
69.07063	2.5
71.08635	22.8
71.22279	1.9
73.06549	11.4
81.07085	2.7
83.08633	3.9
85.10187	20.8
87.04465	6.8
89.06037	100.0
94.83906	1.6
95.08612	2.1
95.91215	1.8
99.11716	3.6
99.12932	1.7
105.07041	2.3
107.07059	2.3
117.09155	5.5
119.08617	1.7
131.07036	2.1
133.08620	50.0
141.16412	4.1
142.69980	1.6
173.29306	2.0
177.11212	18.2
185.18994	4.3
221.13797	3.2
229.21677	7.5
265.16510	2.0
273.24258	4.7
599.43439	3.7
616.35754	2.8
617.36127	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	616.478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72005	11.5
55.05511	55.5
57.03434	15.1
57.07060	14.5
57.35088	13.6
67.05504	87.3
68.78414	11.9
69.07064	49.3
71.30221	13.1
73.94431	11.4
79.05486	41.0
80.05787	11.4
81.03435	71.6
81.07071	99.5
81.96956	11.3
83.08613	43.1
91.05482	36.2
93.07059	70.5
95.04953	16.4
95.08602	74.6
97.10143	15.7
105.07029	48.0
107.08621	24.6
109.06532	14.7
109.10163	34.2
119.08580	36.2
121.10148	28.0
123.11751	18.6
131.08560	26.9
133.10197	15.4
135.11655	19.0
147.11691	27.6
154.88841	12.4
157.10147	13.3
161.13182	16.1
193.12212	28.6
193.90469	12.0
267.15927	100.0
281.63998	12.4
339.28937	94.4
340.29395	20.4
519.40393	32.0
531.40356	65.9
562.09290	13.2
616.50653	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.4
55.01867	3.7
55.05511	34.7
55.59467	3.7
57.03426	14.2
57.07066	15.0
60.34699	3.5
67.05505	38.3
69.03413	5.3
69.07067	34.3
69.61604	15.7
71.05008	6.1
71.08614	6.3
79.05492	29.3
81.03419	67.1
81.07056	46.1
83.04974	6.9
83.08615	38.3
85.10207	4.0
91.05470	25.9
93.07041	24.7
95.04971	26.1
95.08604	40.0
97.10151	15.2
98.22686	7.8
105.07010	15.0
107.04985	4.2
107.08598	11.7
109.10144	15.3
111.08070	4.9
111.11721	7.4
117.07048	6.9
119.08591	23.0
121.10152	17.5
122.99001	3.1
125.09589	4.9
129.06960	11.1
131.08536	15.1
133.10103	6.9
135.11699	8.3
142.87807	3.4
147.08040	4.4
147.11755	8.8
149.09685	3.3
157.10176	9.9
159.11725	4.4
165.79700	3.5
175.11198	8.9
193.12181	21.6
267.13202	6.9
267.15909	100.0
288.39267	3.6
308.53510	3.7
339.28918	98.8
340.29263	7.2
457.37445	4.1
519.40314	4.4
531.40472	63.6
616.50012	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
50.35527	0.3
51.02375	1.3
53.00315	0.3
53.03940	1.3
55.01876	0.5
57.03436	0.2
59.16301	0.2
62.45185	0.2
63.02390	0.2
65.00300	0.2
65.33065	0.2
69.03429	4.9
71.01340	0.3
71.04983	0.7
71.79571	0.2
78.63090	0.2
79.01855	8.6
80.02197	0.3
81.03418	6.5
83.01334	0.3
83.45293	0.2
85.02905	1.7
87.00861	0.3
89.03912	0.3
91.05479	0.5
93.07037	0.2
97.02900	3.8
98.22648	0.6
99.04459	1.3
103.05479	1.0
107.01308	2.1
109.02885	4.3
116.65808	0.2
119.04940	0.5
121.06517	1.5
123.00769	0.4
125.02352	3.6
127.03925	10.3
128.04218	0.2
129.03383	0.3
131.04936	0.6
138.09145	0.4
143.03406	8.4
145.02870	0.4
145.04959	0.4
147.04399	1.0
153.01831	100.0
153.02911	6.9
154.02158	2.4
154.03293	0.3
155.02350	0.2
157.02823	1.3
159.04410	0.4
163.03918	0.9
171.02863	0.8
171.04185	0.2
173.02341	0.8
175.03903	1.7
179.03419	0.4
185.02391	1.5
187.03899	3.8
191.03386	2.2
192.03847	0.2
201.01805	1.9
202.02597	0.6
203.03394	2.9
207.03008	0.5
213.01848	2.9
215.03381	3.2
217.01048	0.3
219.02902	1.5
225.75952	0.2
229.01317	2.1
230.02031	0.5
231.02885	14.5
232.03214	0.5
233.04480	0.3
237.03986	0.4
241.01357	2.5
242.01749	0.3
247.02347	2.7
257.00821	1.8
258.01367	0.4
259.02390	23.7
260.02728	1.3
261.03986	1.3
273.03873	0.3
275.01877	3.7
276.02634	4.9
277.03430	74.3
278.03754	3.1
279.04849	0.3
285.00296	0.8
297.06134	2.0
301.03433	0.3
303.01349	38.4
304.01761	2.1
315.07126	0.5
319.04636	0.3
321.02374	1.6
363.03510	3.9
364.03680	0.2
385.05511	0.4
447.05518	1.4
617.07819	3.1
618.07953	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	617.0773
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01600	0.5
50.35540	0.6
51.02373	1.1
53.03948	0.5
55.01882	0.5
55.79438	0.3
69.03429	7.7
71.01375	0.4
79.01855	7.1
79.02310	0.4
81.03419	3.9
85.02905	1.2
85.72005	0.3
91.05478	0.9
95.82203	0.3
97.02891	2.9
99.04447	0.7
103.05475	0.8
107.01315	2.2
107.04940	0.4
109.02889	2.6
119.04984	0.4
125.02341	4.1
127.03908	4.7
129.03403	0.4
131.04895	0.7
139.03893	0.6
143.03409	7.4
143.04494	0.6
145.02826	0.3
145.03828	0.3
147.04430	1.2
151.03857	0.3
152.16458	0.3
153.01831	84.1
153.02922	6.3
154.02182	2.7
157.02893	1.1
159.04405	0.8
163.03902	1.3
166.21669	0.3
166.23318	0.3
171.02957	0.3
173.02400	0.6
175.03906	2.0
177.05501	0.4
179.03404	0.8
181.01300	0.5
185.02373	1.3
187.03889	4.4
188.04332	0.4
189.05548	0.7
191.03395	2.4
201.01826	1.0
203.03386	3.4
205.05011	1.3
207.02933	0.9
209.04480	0.6
213.01794	3.1
215.03381	3.7
217.01331	0.6
219.02905	1.4
221.00870	0.5
229.01213	1.4
230.02007	0.7
231.02899	16.4
232.03235	0.6
233.04477	1.0
237.03896	1.8
241.01263	2.8
241.71428	0.3
247.02434	1.9
257.00861	1.2
259.02377	28.5
260.02798	1.6
261.04013	1.5
275.01862	2.5
276.02554	1.6
277.03427	100.0
278.03784	4.6
279.04922	0.5
285.00162	1.0
297.06030	0.9
303.01337	26.2
304.01764	0.8
315.07269	0.5
321.02316	1.4
346.29727	0.3
363.03540	1.3
401.52533	0.3
447.05664	0.9
585.81720	0.3
617.07330	1.3
618.08649	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	617.0774
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01599	0.6
51.02372	1.1
53.03946	0.4
55.01865	0.4
68.99808	0.1
69.03432	1.1
71.32811	0.2
79.01856	7.3
81.03416	1.8
83.01334	0.2
85.02923	0.3
87.00906	0.1
97.02908	2.0
99.04470	0.4
103.05480	0.3
105.07026	0.3
107.01319	1.6
109.02876	2.1
111.04458	0.2
119.04915	0.2
123.00819	0.3
125.02349	3.3
127.03920	5.2
131.04922	0.4
143.03404	7.0
145.02850	0.2
145.04977	0.5
147.04390	0.6
147.64333	0.2
153.01831	100.0
153.02902	6.2
154.02151	2.9
155.02394	0.2
157.02815	0.3
159.04413	0.5
163.03928	0.5
171.02855	0.2
175.03918	0.6
179.03386	0.6
185.02220	0.4
187.03911	1.1
191.03355	0.8
195.02914	0.3
201.01799	0.5
203.03406	0.9
205.05008	0.9
207.02917	0.5
213.01820	1.0
215.03424	1.1
219.02921	0.4
220.77713	0.2
221.00836	1.1
223.02467	0.2
229.01366	0.9
230.02028	0.2
231.02872	4.1
233.04460	1.2
237.04123	0.2
241.01187	0.8
247.02425	0.9
257.00928	0.8
259.02396	7.1
260.02789	0.4
261.04007	1.0
275.01889	2.4
276.02582	1.1
277.03433	22.6
278.03738	1.1
279.05035	0.4
285.00232	0.6
297.06033	0.6
303.01349	11.9
304.01849	0.8
321.02075	0.6
363.03500	0.9
385.05414	0.4
400.08310	0.2
429.04480	0.3
447.05408	0.6
539.55927	0.2
617.07300	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	617.1138
Annotation	Quercetin 3-(2''-galloylgalactoside)
Peak:m/z	Relative Intensity
51.02381	0.6
69.03434	8.9
69.64539	0.4
69.64914	0.4
70.06590	0.2
72.40675	0.2
79.01860	3.2
81.03414	0.7
85.02901	0.6
96.77763	0.2
97.02892	1.8
98.22710	0.3
99.04450	0.7
100.54376	0.2
107.01325	0.9
107.04984	0.2
109.02885	0.9
117.67702	0.2
121.02877	0.3
121.60545	0.3
125.02360	2.5
127.03925	5.0
131.04922	0.3
137.02351	1.3
137.03255	0.2
143.03397	4.9
145.91812	0.2
147.04427	0.3
149.02289	0.2
151.03902	0.7
153.01833	100.0
153.02800	4.3
154.02168	3.0
159.04462	0.4
163.03944	1.3
165.01868	0.8
171.02896	1.2
175.03922	0.4
177.05515	0.3
179.03410	1.3
181.01300	0.6
191.03404	2.2
193.04863	0.4
195.02840	0.3
198.93713	0.2
201.05455	0.4
205.05058	1.1
207.02925	1.1
209.04491	0.6
219.02956	0.5
221.04466	0.6
223.06168	0.3
229.05017	1.0
233.04381	1.1
237.03903	2.8
257.04440	0.7
261.03970	0.4
279.05014	0.7
285.03870	0.3
297.06055	3.2
299.06113	0.2
303.04993	23.9
304.05429	1.1
315.07135	4.1
316.07373	0.2
327.05026	0.5
345.06088	0.6
346.06534	0.2
359.66965	0.2
383.10504	0.2
497.06900	0.3
617.27515	0.3
640.07281	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	617.1134
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02382	0.5
52.29382	0.1
55.01871	0.4
55.36345	0.1
56.50810	0.2
57.03439	0.2
67.01843	0.2
68.99796	0.7
69.03417	0.6
71.28575	0.2
79.01852	3.8
79.90852	0.1
81.03416	0.6
85.02912	1.5
87.02991	0.1
93.03412	0.2
95.04967	0.3
97.02897	1.8
99.04441	0.3
107.01305	1.1
107.05024	0.2
109.02886	1.3
109.93364	0.2
111.00806	0.6
121.02861	0.7
123.00760	0.2
123.04414	0.2
125.02351	2.6
127.03914	1.3
135.04341	0.2
137.02350	2.7
137.03391	0.3
143.03397	5.0
145.04936	0.2
149.02431	0.3
153.01830	100.0
153.02844	4.7
154.02162	2.7
161.05969	0.2
163.03896	0.4
165.01828	1.6
166.02667	0.2
171.02872	1.2
173.06030	0.3
183.02882	0.6
183.04413	0.4
187.04045	0.2
191.07100	0.2
195.02882	0.8
201.05481	1.4
228.04257	0.3
229.04977	3.1
247.06065	0.6
247.10196	0.2
255.05069	0.4
257.04407	1.8
258.05042	0.2
262.24805	0.2
274.04742	0.4
285.04047	0.7
297.05942	0.9
303.04984	70.0
304.05325	4.4
315.07132	5.3
316.07532	0.3
345.06006	0.6
369.06003	0.2
411.07294	0.3
447.09280	0.2
456.40161	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	617.1136
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02377	0.9
52.29386	0.6
53.03944	0.5
55.01865	0.7
55.69630	0.3
57.03432	0.7
61.02911	0.5
68.36292	0.3
68.99792	0.8
69.03425	2.4
70.06573	0.4
71.05001	0.5
71.29783	0.6
79.01858	4.2
81.03426	2.4
81.07062	0.4
81.60900	0.3
85.02905	12.5
87.04426	0.5
91.05468	0.4
93.03406	0.6
97.02283	0.5
97.02896	7.8
103.05447	0.4
107.01319	1.3
109.02866	2.7
111.00797	1.3
115.03912	0.8
121.02861	1.6
121.06580	0.4
123.04372	0.8
125.02360	2.0
127.03929	3.1
133.04953	0.9
137.02339	4.4
137.03444	0.5
143.03394	4.3
145.04980	1.2
151.03911	0.7
151.73271	0.4
153.01830	65.7
153.02910	3.7
154.02161	2.1
161.06021	0.7
163.03922	1.1
165.01877	2.2
171.02878	1.6
174.37309	0.4
177.05421	0.6
183.02831	0.8
183.04364	0.5
187.03922	0.6
191.03426	0.7
195.02943	0.4
201.05472	2.6
229.04915	4.3
231.02907	0.5
244.51923	0.4
247.06023	0.4
257.04431	3.2
259.02496	0.5
274.04779	0.5
275.01773	0.5
277.03394	1.5
285.03949	1.3
303.04984	100.0
304.05289	6.5
315.04382	0.7
315.07495	0.7
361.05453	0.5
399.07025	0.5
455.22501	0.9
555.31781	0.4
617.26697	1.6
617.43121	1.6
623.73071	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	617.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01879	7.3
55.05511	16.6
65.03947	8.5
67.05501	52.4
68.99795	34.2
69.03411	8.0
69.07078	21.2
69.12843	26.7
70.06591	3.6
71.01359	3.9
72.08220	3.3
74.02559	3.2
79.05495	43.1
81.03427	26.8
81.06646	5.4
81.07064	50.4
83.04977	8.8
83.08607	20.5
85.02840	4.0
88.59679	3.4
91.05479	37.6
92.27628	3.2
93.07052	50.1
94.07369	3.7
95.04970	63.9
95.08610	42.5
97.02886	9.8
97.06522	19.7
97.10175	4.5
99.08092	3.9
99.16361	3.1
105.07035	36.8
107.04948	14.8
107.08593	25.1
109.02882	3.6
109.06504	9.3
109.10147	19.1
110.46520	3.4
111.00809	70.2
111.04430	20.9
111.08096	9.4
113.06012	5.7
114.58756	3.6
117.07022	12.9
119.08619	19.1
121.02856	26.2
121.06487	16.7
121.10152	44.3
123.04425	9.1
123.08087	7.0
125.05989	4.6
127.03920	36.7
129.06956	7.2
131.04895	6.7
131.08595	20.3
133.06493	7.8
133.10127	20.6
135.08058	11.5
135.11673	18.3
137.05981	60.0
137.06944	6.7
137.09612	5.8
139.03900	57.4
139.07529	4.8
141.05438	3.5
143.08553	7.4
145.06491	5.0
145.10176	17.9
147.08089	10.6
147.11662	16.1
149.09642	9.3
149.13248	5.3
151.03859	5.1
151.07556	4.4
153.01837	13.3
153.05518	6.0
155.03352	5.5
157.05003	5.6
157.10165	6.5
159.11719	6.2
161.09633	8.0
163.03885	41.6
163.07538	5.1
165.05447	4.5
169.10103	4.7
171.11668	6.3
173.09615	5.8
175.11232	4.3
181.04939	26.7
189.05388	4.7
193.12129	3.9
195.10138	5.3
195.13771	5.0
199.06009	5.7
207.06537	4.2
209.11702	7.4
223.13306	8.5
231.09981	4.6
233.08188	8.7
235.13350	5.5
237.14830	5.9
249.18510	14.0
251.09132	4.0
291.19427	4.0
315.19611	20.2
317.21094	12.4
333.20590	100.0
334.20901	4.0
335.22198	14.1
341.21002	7.4
343.22546	4.6
349.23785	11.6
359.22070	7.8
385.23608	8.7
387.25394	3.7
401.26868	28.4
437.26770	4.9
473.28827	5.6
521.28912	14.0
537.31866	5.4
545.29144	11.1
563.29987	28.9
581.31238	35.1
582.30573	5.1
599.32141	49.4
600.32025	4.9
617.29468	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3661
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
57.03434	1.8
67.05500	1.7
81.07078	4.6
83.08611	2.1
93.07066	1.6
95.08568	1.6
105.07027	2.4
107.08598	2.2
112.77190	1.6
119.08582	2.2
153.01848	3.2
168.73143	1.7
181.44247	1.6
221.15340	2.4
303.05118	2.3
333.20392	7.3
372.69934	1.8
389.23120	3.8
444.83517	1.8
522.54425	1.8
564.57043	2.0
580.96674	1.6
617.36548	100.0
618.36884	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.366
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
67.05502	2.7
70.89304	2.6
79.05494	1.7
81.07049	2.7
88.51645	1.3
91.05464	2.2
93.07050	2.5
95.05006	2.1
95.08617	2.7
97.19257	1.1
99.86497	1.1
105.07035	2.9
107.08617	1.9
109.10150	1.4
109.81660	1.3
119.08611	3.6
121.10133	2.0
123.08091	1.2
125.07083	1.2
127.79539	1.1
131.08575	1.6
185.57913	1.2
221.15388	1.7
251.12491	1.6
307.15356	1.5
329.17230	1.2
333.20319	7.9
380.91187	1.5
389.23096	5.6
617.36536	100.0
618.36926	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14458	0.5
55.05510	1.7
57.03434	1.0
57.07069	0.9
67.05515	4.7
69.07059	1.2
78.31270	0.5
79.05508	3.2
81.07060	5.0
83.08648	0.6
87.04474	1.9
91.05503	2.4
93.07061	2.7
95.05025	0.6
95.08601	3.4
105.07050	1.7
107.08595	1.8
109.10146	1.1
117.07060	0.6
119.08575	1.2
121.10173	1.7
131.08583	1.2
133.10168	0.7
135.11719	0.8
147.11723	0.8
159.11969	0.5
163.44598	0.5
208.17079	0.7
214.52762	0.6
283.15155	17.2
284.15604	0.9
309.59470	0.5
335.25775	1.1
339.17773	4.2
380.18820	0.7
519.36835	1.1
536.46869	0.6
617.40265	100.0
618.40552	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	617.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.4
56.74191	0.7
57.07061	2.6
58.90011	0.6
59.04992	2.0
65.03926	0.8
67.05502	5.8
69.03425	1.2
69.07052	2.7
71.27451	0.9
79.05490	5.7
81.07064	7.3
81.50052	0.7
83.04967	1.4
83.08620	4.3
83.67630	0.6
85.06533	2.6
86.89999	0.7
87.04452	2.5
91.05475	6.1
92.05806	1.5
93.07047	9.0
94.07369	2.0
95.04948	2.4
95.08614	8.7
96.08916	1.0
97.06502	1.6
100.61589	0.7
105.07028	7.6
106.07344	2.0
107.08595	7.1
108.08921	1.6
109.06469	1.0
109.10169	5.6
110.10481	1.1
111.08070	1.3
112.08385	0.7
117.06995	1.6
119.08586	9.3
120.08902	3.0
121.06477	1.4
121.09258	1.0
121.10118	6.0
123.08087	4.6
123.11715	0.8
124.08346	1.0
125.05968	1.2
125.09641	1.4
128.06219	0.7
129.07007	0.8
131.08617	5.0
132.08931	1.4
133.10136	6.0
134.10469	2.2
135.08041	1.5
135.11656	2.2
136.12039	1.0
137.09570	2.1
139.11069	0.7
141.07007	0.8
142.07750	1.5
143.08510	3.2
144.08752	0.8
145.10159	4.3
146.10475	1.6
147.08040	2.2
147.11661	2.0
148.12001	0.8
149.09607	1.6
151.07555	4.7
152.07854	1.5
157.10181	4.2
158.10355	1.2
159.11755	3.3
160.12074	1.1
161.09578	1.2
161.13260	1.0
163.11163	2.7
164.11610	1.2
165.09157	4.7
166.09431	1.0
169.10046	1.1
169.12144	0.7
171.11679	1.6
172.12018	0.9
173.13271	2.4
174.13705	1.0
175.14795	1.9
176.15195	1.2
179.08586	0.8
181.09985	0.9
181.12239	2.8
183.11685	1.6
184.11929	0.8
185.13258	1.9
187.11162	1.0
189.12738	1.5
190.12949	1.0
191.14130	1.0
193.12202	0.9
195.11626	1.1
196.11960	1.1
197.13269	2.0
198.13547	1.1
203.14250	2.4
203.55705	0.8
204.14746	1.1
206.10701	0.8
207.13843	1.2
208.14233	0.8
208.16884	1.0
209.13147	1.6
210.13725	0.8
211.14909	1.0
221.13338	1.0
221.15407	10.7
222.15759	4.4
223.14627	0.9
231.17188	0.8
233.11632	0.8
247.16998	0.9
270.03732	0.8
283.15140	15.0
284.15332	0.8
299.19827	1.0
300.20245	1.0
339.17703	7.3
365.24368	1.0
580.86292	0.8
585.41656	2.1
599.41748	1.5
617.39978	100.0
618.40540	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	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.6
55.01866	8.7
55.05511	68.8
57.07082	23.8
57.35268	5.5
62.16428	7.2
62.45150	5.5
67.05515	49.0
69.03437	30.6
69.07069	25.4
71.05006	7.1
71.28045	11.1
79.05480	42.0
79.64185	5.5
81.07053	64.8
83.04993	28.4
83.08618	72.2
85.06550	14.6
91.05486	57.6
93.07053	83.2
94.07390	6.4
95.04982	36.0
95.08609	61.9
97.06547	26.4
99.08115	7.5
105.07043	100.0
107.08596	90.6
109.06531	20.5
109.10175	29.9
111.04386	7.9
111.08053	11.9
112.08388	6.9
113.09644	15.3
115.05466	7.8
117.07041	19.2
119.04942	6.1
119.08591	83.6
121.06536	14.9
121.10154	67.2
123.08068	46.2
123.11744	16.0
125.05988	17.4
125.09635	22.1
126.12309	6.5
128.06213	9.4
129.07030	23.2
130.07822	10.7
131.08569	54.4
133.01888	6.3
133.06511	8.9
133.10136	61.2
135.08084	21.5
135.11745	11.3
137.09666	16.6
139.11205	19.7
139.68268	5.8
141.06969	14.0
142.07770	27.6
143.08615	28.1
145.10132	68.8
147.08026	33.7
147.11636	13.8
149.09666	21.8
151.07486	37.7
155.08572	16.4
155.10724	19.3
156.09312	18.5
157.10117	63.6
159.08083	23.9
159.11690	24.8
161.09633	18.1
161.13310	8.9
163.11122	31.9
165.09166	44.2
167.10661	32.2
168.09264	6.2
169.10170	28.1
170.10924	11.5
171.11736	30.6
173.09666	8.3
173.13289	22.8
175.11168	12.9
175.14900	7.9
179.08521	7.2
179.14346	9.7
181.10165	18.7
181.12282	35.6
182.10909	7.0
182.12534	6.6
183.11749	22.8
185.13292	17.5
187.11217	8.4
187.14879	7.7
189.12779	17.5
191.14281	6.0
192.09163	6.0
193.10251	14.0
194.10757	7.3
195.11739	25.3
197.13264	25.3
199.11229	6.6
199.14886	19.1
200.20636	5.4
203.14464	14.9
206.10886	6.6
207.11684	19.8
207.13829	21.0
208.12453	5.9
209.13284	26.5
209.15240	10.5
211.14912	11.0
213.12688	8.8
215.14406	7.3
219.11821	8.0
221.13310	15.9
221.15331	95.7
223.14865	21.6
227.14299	8.9
231.11807	6.9
233.13374	9.2
233.15308	30.8
234.13911	6.8
239.14378	6.5
239.17934	7.3
247.16917	7.7
253.15630	6.6
257.19266	7.0
263.18069	7.7
273.18637	7.3
285.18588	10.9
299.20209	16.4
391.25903	7.4
464.95810	6.7
503.16714	6.3
533.17261	6.1
581.39734	11.1
599.40497	21.6
617.33252	12.8
617.43268	55.4
618.42633	7.8
643.20294	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	617.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01862	2.4
55.05513	45.3
56.30569	2.8
57.07068	9.7
59.04998	3.9
65.03957	4.4
65.69158	2.4
67.05494	21.6
69.03414	10.0
69.07066	9.0
71.05012	3.3
79.05500	19.8
81.07049	22.1
83.04974	10.3
83.08612	48.6
85.06540	8.8
87.04447	8.7
91.05481	29.1
93.07032	36.7
95.04976	13.3
95.08597	28.3
96.52869	2.7
97.06528	12.2
103.05418	3.2
105.07023	52.4
107.08611	35.0
109.06528	11.4
109.10167	21.4
113.09654	7.7
117.07013	12.4
119.04028	3.0
119.06180	3.7
119.08576	42.2
121.06533	5.9
121.10149	31.3
123.08109	22.7
125.06021	5.3
125.09618	11.0
128.06213	6.4
129.07005	9.2
130.07722	4.3
131.08565	30.5
133.06467	5.7
133.10120	22.3
135.08034	12.2
135.11690	8.6
137.09618	17.0
139.11142	8.2
141.06975	3.7
142.07790	11.8
143.08543	17.8
145.10124	34.5
147.08084	18.5
147.11676	10.6
149.09587	5.4
151.07526	23.5
155.08530	10.7
155.10660	8.0
156.09344	8.2
157.10104	26.2
159.11688	15.9
161.09608	8.0
161.13219	7.7
163.11185	10.7
165.07028	3.6
165.09100	45.5
166.09409	2.8
167.08582	6.6
168.09360	4.1
169.10106	11.4
170.10783	3.0
171.11707	15.8
173.09663	6.0
173.13354	7.8
175.11276	3.1
179.08623	5.8
179.14294	3.6
181.10019	6.0
181.12230	20.8
182.10880	5.0
182.12538	2.7
183.11700	12.0
185.09688	4.2
185.13187	5.4
189.12672	6.9
193.10126	7.1
195.11624	10.7
195.13612	2.8
196.12492	3.2
197.13342	18.0
199.14819	6.4
201.12631	3.2
203.14355	17.5
207.11765	6.2
207.13786	10.5
209.13339	7.0
209.15309	5.3
211.14792	7.0
213.12741	4.3
215.14362	5.3
221.13440	4.7
221.15350	100.0
221.17514	5.2
222.15778	4.2
223.14899	13.7
233.13263	6.5
233.15428	4.2
235.14749	3.8
239.17908	3.6
247.14740	4.3
247.16943	7.4
249.16351	3.2
274.19058	2.8
285.18677	4.7
286.19308	5.1
287.20029	8.9
298.91428	3.4
299.20029	10.5
300.20676	3.4
313.21661	5.7
337.47400	2.8
365.24771	5.7
375.23462	3.1
391.26199	6.3
525.35870	3.0
537.35883	3.5
581.39203	3.5
599.40942	16.9
617.42023	34.0
618.42041	5.7
639.38458	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	618.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17101	0.8
52.66630	0.6
55.05510	2.1
56.05030	1.5
56.96562	4.2
57.03435	1.3
58.06581	0.9
60.07935	0.6
60.08168	7.4
67.05516	3.7
69.07059	1.9
70.06575	0.6
71.07380	5.9
79.05495	1.9
81.07047	3.6
83.08634	0.9
86.09707	21.8
91.05454	1.3
93.07056	1.4
95.04981	0.8
95.08588	2.4
98.22646	1.4
102.92596	0.8
104.10746	100.0
105.07075	1.0
105.11076	1.5
107.08623	0.8
109.10177	1.4
110.97581	0.7
111.08076	0.7
118.92062	1.1
121.10143	0.8
124.99997	1.6
136.93146	3.4
146.99634	0.6
153.01851	3.5
154.94171	5.2
162.94714	1.7
172.95222	5.1
180.95752	7.9
186.13509	0.7
190.96295	3.0
198.96802	20.4
203.05360	0.8
210.96889	1.8
216.97865	13.2
221.98428	0.8
225.38159	0.6
228.97818	3.2
240.09979	1.8
249.04341	0.6
254.99490	2.0
282.04309	1.1
283.01932	9.4
300.05176	1.5
314.06818	1.5
319.19458	11.7
337.20508	18.3
337.26837	2.9
338.20737	1.6
360.22052	1.5
403.15768	0.7
415.00256	0.6
439.19293	2.1
443.18625	1.9
455.18906	1.6
473.19925	5.9
477.35156	0.7
499.21481	5.1
502.25989	10.1
503.26303	1.2
521.00220	0.7
538.10779	0.6
558.28668	16.5
559.29163	1.4
618.30200	10.3
619.28729	2.6
619.38171	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	618.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
54.89737	3.3
55.01891	4.1
55.05512	44.8
57.07092	3.9
65.03950	7.3
65.64560	3.0
67.05508	31.2
69.03415	10.8
69.07069	18.9
71.04981	4.2
72.82066	3.0
73.55855	4.4
79.05495	34.7
81.07056	40.4
83.04978	12.8
83.08627	42.0
85.06539	5.2
86.09680	4.7
87.63902	3.4
91.05490	51.8
93.07046	55.6
95.04962	22.4
95.08603	30.4
97.06531	24.0
99.90370	3.7
100.49249	3.6
104.10761	27.3
105.07034	100.0
107.04979	4.5
107.08599	63.9
109.06522	16.1
109.10157	21.9
111.08082	8.8
113.09634	7.3
115.05453	8.1
117.07000	21.6
119.08587	78.2
121.06506	10.7
121.10159	39.7
121.46249	3.3
123.08099	16.8
123.11665	3.5
125.09599	16.8
128.06224	19.8
129.07024	20.5
130.07796	11.3
131.08575	39.6
132.09271	4.9
133.06488	4.7
133.10132	45.0
135.08049	10.4
135.11720	9.9
137.09592	4.7
139.11163	16.4
141.06999	10.6
142.07811	28.8
143.08582	43.4
144.09338	15.8
145.06496	4.2
145.10126	63.9
147.08067	12.1
147.11708	15.1
149.09595	12.5
149.13287	3.7
152.06198	3.5
153.01810	11.0
153.07008	5.7
154.07808	3.5
155.08551	20.7
155.10660	12.4
156.09383	20.1
156.10536	3.3
157.10129	55.8
158.10924	9.0
159.08049	14.9
159.11713	33.7
160.08830	7.5
161.09610	15.4
161.13307	7.5
163.11121	6.4
165.06970	9.0
167.08595	10.7
167.10674	17.8
168.09299	6.8
169.10146	24.6
170.10841	9.6
171.10297	5.9
171.11700	27.3
173.09659	7.3
173.13293	12.5
175.11169	10.8
179.08585	14.0
180.09306	7.5
181.10069	18.8
181.12265	21.4
182.10896	14.1
183.11719	30.4
185.13269	18.0
187.14757	6.7
191.14380	6.4
193.10165	12.1
194.10913	11.0
195.11766	24.2
196.12416	8.8
197.13292	32.7
199.14813	12.4
201.16365	3.6
203.14392	5.0
205.10094	5.5
206.10876	7.9
207.11676	15.1
208.12419	8.4
209.13257	26.9
209.15166	6.2
210.13980	4.8
211.11266	3.8
211.14777	20.6
213.12857	4.4
213.16426	6.6
215.14307	15.1
217.10231	5.5
218.11050	3.8
219.11678	8.7
220.12366	4.5
221.13336	7.0
221.15337	14.1
223.14798	12.5
225.14723	6.1
225.16605	5.5
231.11655	4.8
233.13208	12.3
233.15392	33.4
235.14844	10.0
237.16400	13.4
244.12442	4.7
245.13145	8.6
246.13950	6.7
247.14806	6.7
249.16449	9.9
251.18127	6.9
255.17456	25.6
261.16034	4.2
263.18024	5.0
265.19571	8.8
271.20428	4.2
275.17850	4.8
281.19089	6.5
283.01892	13.0
285.18484	7.0
286.19089	6.0
294.19434	4.5
307.20462	6.5
349.25305	4.8
365.24838	5.3
367.26413	9.3
383.25757	8.8
526.36298	3.5
618.35907	6.6
618.43402	7.5
619.37805	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02378	1.1
53.48244	0.2
55.01877	0.2
68.99799	0.2
69.03420	0.2
69.84666	0.6
70.06579	0.5
79.01852	6.7
81.03411	0.7
86.09715	0.2
97.02911	1.3
98.22641	0.1
107.01306	1.3
109.02886	0.4
123.00802	0.4
125.02347	2.8
127.03935	2.1
129.47917	0.2
131.04974	0.2
143.03401	7.6
153.01828	100.0
153.02885	5.9
154.02164	2.7
154.03299	0.2
163.03871	0.8
191.03409	1.5
205.04781	0.2
209.04485	0.3
213.03947	0.5
219.02863	0.3
233.04427	0.3
237.03951	4.1
261.04044	0.6
279.04962	0.9
297.06165	0.5
302.87726	0.2
304.05457	0.2
318.23184	0.2
355.96243	0.2
449.07007	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	619.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02370	1.1
53.00308	0.2
53.97285	0.1
55.01878	0.3
68.07611	0.1
68.99789	0.1
69.03420	0.3
70.43117	0.1
70.43460	0.2
79.01855	7.3
81.03416	0.8
87.00805	0.2
90.06810	0.1
93.55460	0.1
97.02892	1.5
107.01327	1.8
109.02882	0.9
121.06514	0.5
123.00774	0.4
125.02361	3.1
127.03941	1.1
131.04926	0.2
143.03397	7.6
144.03645	0.1
153.01833	100.0
153.02902	6.4
154.02145	2.1
154.03259	0.2
159.04422	0.1
163.03899	0.1
171.02808	0.2
181.01337	0.2
192.35915	0.1
205.04921	0.2
213.03932	0.1
233.04514	0.4
237.03886	0.2
243.02890	0.2
261.03964	0.5
279.04941	0.5
297.06024	0.3
297.56445	0.1
305.02838	0.1
334.33884	0.1
340.19495	0.1
408.44077	0.1
449.07016	0.9
602.14642	0.2
630.00403	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	619.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.4
51.02379	0.8
53.00309	0.1
53.03941	0.3
55.01871	0.3
62.92801	0.1
68.99762	0.1
69.03439	0.3
70.83521	0.1
79.01858	6.8
80.02199	0.1
81.03418	1.7
87.00829	0.2
95.01323	0.1
97.02897	1.4
107.01324	1.4
109.02883	2.5
110.03217	0.1
115.05440	0.1
115.33217	0.1
123.00797	0.3
125.02354	3.7
126.02689	0.1
127.03940	0.7
131.04961	0.1
143.03404	7.5
144.03708	0.2
153.01834	100.0
153.02876	5.6
153.29155	0.1
154.02162	2.7
154.03419	0.2
159.04425	0.3
163.03935	0.2
164.21069	0.1
177.05461	0.1
181.01326	0.2
183.02898	0.1
187.03912	0.1
191.03438	0.1
197.00858	0.1
205.04927	0.3
207.02962	0.1
215.03442	0.2
217.04994	0.1
219.02640	0.1
233.04436	0.8
237.03943	0.2
243.02847	0.2
261.03906	0.4
279.04901	0.5
288.87372	0.1
297.06009	0.2
449.07214	1.0
450.07727	0.1
536.14038	0.1
619.09271	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	619.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02371	1.0
53.00300	0.1
53.03941	0.1
55.01879	0.2
56.39085	0.1
63.78524	0.1
68.84145	0.1
68.99767	0.1
69.03426	0.3
69.91463	0.4
70.92612	0.1
77.42653	0.1
78.07198	0.1
79.01853	6.1
80.02170	0.2
81.03421	1.7
82.04159	0.1
83.01334	0.1
85.05992	0.1
87.00843	0.2
97.02897	1.4
106.43726	0.1
107.01318	1.8
109.02886	0.9
112.83370	0.1
123.00803	0.4
123.04455	0.3
125.02353	2.9
127.03917	6.4
128.04272	0.1
137.02338	0.3
143.03398	6.9
144.03688	0.2
153.01830	100.0
153.02870	5.5
154.02158	2.7
154.03418	0.1
163.03946	0.4
171.02879	0.2
187.04066	0.1
191.03421	0.5
207.09769	0.1
209.04504	0.2
213.03932	1.7
216.92459	0.1
219.02844	0.2
229.04945	0.1
233.04385	0.2
237.03934	1.3
245.04462	0.2
259.06024	1.1
261.03882	0.5
269.04440	0.4
270.05252	0.2
271.05859	0.2
279.04950	1.5
283.05835	0.2
287.05505	0.5
297.06003	0.4
299.05362	0.2
300.06424	0.1
312.06076	0.2
315.04938	0.4
317.12241	0.1
329.06534	0.4
331.08044	0.7
343.08102	0.2
373.09009	0.6
383.07730	0.1
435.07318	0.1
449.07227	1.1
467.09708	0.9
619.14636	2.4
620.14166	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	619.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02375	0.8
53.00302	0.1
53.03941	0.1
55.01868	0.3
55.91150	0.1
55.96248	0.1
57.75335	0.1
69.03428	0.3
70.85120	0.1
79.01855	7.0
80.02155	0.2
81.03419	0.5
87.00808	0.1
97.02895	1.3
107.01321	1.6
107.07335	0.1
109.02910	0.6
123.00797	0.3
125.02348	3.4
127.03932	0.4
143.03398	7.6
144.03714	0.1
153.01828	100.0
153.02884	6.2
154.02145	2.2
154.03255	0.1
159.04395	0.2
171.02930	0.2
181.01323	0.2
187.03957	0.1
204.55513	0.1
205.04974	0.3
206.85808	0.1
233.04312	0.5
237.03960	0.1
243.02803	0.1
261.03912	0.6
279.04962	0.4
297.06067	0.4
360.99033	0.1
449.07144	1.8
450.07687	0.1
460.42096	0.1
462.26309	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	619.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.5
51.02376	1.0
53.00294	0.1
53.03939	0.1
53.38750	0.1
53.68571	0.1
55.01872	0.2
68.99781	0.1
69.03425	0.3
70.06562	0.1
71.30457	0.1
79.01853	7.4
80.02176	0.1
81.03437	0.6
85.02884	0.1
87.00836	0.2
97.02895	1.6
105.07027	0.1
106.33968	0.1
107.01319	1.5
109.02881	0.7
109.80697	0.1
121.06536	0.1
123.00790	0.3
124.00117	0.1
125.02345	3.0
126.02655	0.1
127.02948	0.1
127.03911	1.8
131.04875	0.1
132.97549	0.1
139.03938	0.1
143.03397	7.8
144.03676	0.1
151.03911	0.1
153.01828	100.0
153.02873	6.2
154.02151	2.7
159.04414	0.2
163.03873	0.1
177.05492	0.1
181.01352	0.1
187.03801	0.1
191.03404	0.1
205.04984	0.2
213.03828	0.1
215.03355	0.1
233.04387	0.4
237.04048	0.1
243.02942	0.1
261.04010	0.6
279.04971	0.6
280.05463	0.1
297.06070	0.4
305.02966	0.2
331.08240	0.1
348.71240	0.1
449.07007	0.8
456.22610	0.1
467.08414	0.1
585.43170	0.1
619.09595	0.1
619.19690	0.1
619.28900	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	619.1292
Annotation	Taxillusin
Peak:m/z	Relative Intensity
50.01591	0.3
51.02377	0.7
53.03938	0.7
55.01882	0.3
56.99966	0.2
57.03443	0.2
64.65134	0.2
68.62628	0.2
68.99816	0.3
69.03423	1.6
69.32587	1.6
77.35297	0.2
79.01854	5.9
81.02984	0.3
81.03418	3.6
85.02897	1.2
87.00829	0.2
97.02896	3.8
98.23324	0.5
99.04446	0.3
105.03316	0.2
107.01327	1.7
109.02878	2.8
123.04448	2.4
125.02342	3.5
127.03920	4.7
135.04366	0.3
137.02382	0.3
139.03906	0.9
143.03395	5.9
143.04486	0.4
145.04973	0.5
147.04437	0.3
149.02333	2.5
151.03874	0.7
153.01830	100.0
153.02881	5.4
154.02174	3.0
163.03973	0.3
165.01811	0.5
171.02896	4.9
177.01877	0.5
179.03462	0.3
183.02910	0.2
191.03413	0.7
195.02901	0.4
211.02527	0.4
213.05632	0.4
217.04883	0.3
231.06522	1.8
232.07121	0.2
237.03915	0.3
241.04987	0.4
255.06818	0.3
259.06070	2.6
261.03949	0.3
273.07544	0.4
279.04816	0.3
283.05872	0.4
287.05472	5.0
293.06952	0.5
297.06039	4.2
299.05576	0.5
301.07095	0.7
305.02805	0.6
305.06528	0.9
311.05316	0.4
315.07312	1.6
327.05264	0.2
329.02850	0.3
329.06516	1.3
347.07504	0.3
353.06537	0.4
395.07700	0.6
413.08377	0.3
431.09906	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	619.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05516	9.7
57.03445	5.2
57.07073	1.0
59.10001	0.4
60.23797	0.5
60.24141	0.5
65.03946	0.7
67.05507	20.7
69.07071	12.0
71.08611	0.9
71.30679	0.5
79.05493	6.6
81.03416	1.7
81.07057	19.0
82.07378	0.8
83.04974	2.0
83.08621	5.3
85.02911	1.4
85.06572	0.8
85.10237	0.5
91.05472	5.6
93.07053	6.9
95.04946	1.0
95.08604	13.7
96.08923	0.7
97.06548	1.3
97.10160	2.5
99.08115	0.7
99.78879	0.6
104.10735	1.7
105.07040	3.3
107.05004	0.6
107.08623	3.8
107.44234	0.7
109.06531	0.7
109.10153	6.9
111.08089	0.9
113.09658	0.6
119.08587	3.3
120.96655	2.1
121.10139	2.4
123.08062	0.6
123.11703	2.3
129.07050	0.6
131.08524	0.6
133.10147	2.7
135.11641	0.8
147.11679	1.7
153.01839	7.9
161.13252	0.5
165.12794	0.6
174.98537	1.3
175.11215	0.7
176.99178	1.0
182.99057	0.7
185.04155	0.7
203.05243	5.4
213.00084	1.5
251.12589	1.1
263.23801	0.6
265.00864	3.5
283.01898	100.0
284.02313	1.7
293.21100	1.0
307.15012	1.3
324.04550	1.9
335.21912	6.3
337.27362	22.3
337.31430	1.1
338.27679	2.3
340.55902	0.6
391.24600	3.8
439.22171	1.2
521.34943	1.0
537.30402	0.7
619.28339	18.0
619.37933	91.1
620.28717	2.4
620.38257	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	619.382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05527	2.6
57.03441	1.2
57.07062	0.9
67.05502	4.9
69.03450	0.7
69.07053	2.4
79.01850	0.6
79.05495	3.1
81.03419	0.9
81.07062	5.3
83.04971	1.3
83.08614	3.8
91.05479	3.6
93.07052	3.9
95.04975	1.7
95.08611	3.0
97.06522	0.9
105.07043	4.6
107.08592	2.1
108.08932	0.8
109.06491	0.6
109.10186	1.9
109.54533	0.5
111.08076	0.6
113.09652	0.6
117.07025	1.3
119.08596	2.4
120.08899	0.7
121.06461	1.0
121.10173	2.5
123.08092	0.8
125.09627	0.8
129.07008	1.1
131.08556	1.7
133.10141	1.7
135.08040	0.7
135.11711	1.0
139.11217	0.8
142.07767	0.9
143.08569	1.6
145.10124	1.9
146.10530	0.6
147.11658	1.4
149.09642	1.1
153.01836	8.1
153.02950	1.1
154.02148	0.6
155.10672	0.8
156.09296	0.8
157.10141	1.9
159.11594	0.7
160.12074	0.6
161.09613	0.6
167.08577	0.8
170.10686	0.5
173.13309	0.7
179.14294	0.7
183.11687	0.9
195.11757	0.7
197.13231	0.9
233.15463	1.2
234.15932	0.7
239.05676	0.5
251.12660	1.7
283.01981	2.2
307.15268	1.3
317.21109	1.2
325.16446	0.6
335.21890	6.9
337.27243	1.0
391.24625	2.3
439.22449	1.0
503.91583	0.7
539.02472	0.6
601.37061	3.9
614.28918	0.6
619.38098	100.0
620.28955	0.6
620.38470	12.8
634.79034	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	619.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.5
55.67336	9.0
57.07074	26.6
67.05518	20.8
69.07075	24.6
69.56888	45.7
69.57222	9.6
71.08606	20.6
79.05486	16.8
81.03426	22.3
81.07053	36.2
83.08628	16.1
87.04474	32.3
91.05496	20.3
93.07041	15.1
95.04996	12.7
95.08604	36.1
107.08620	16.4
109.10175	14.9
113.24032	9.3
119.08578	15.6
122.17286	9.0
145.10114	12.4
153.01839	15.0
174.54446	9.6
193.12332	11.5
196.87923	11.4
267.15955	24.0
268.16251	15.1
313.27411	23.5
314.27698	24.2
505.38629	17.5
506.39661	24.6
509.28717	13.2
619.39294	100.0
620.40295	15.8
647.06989	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	619.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.9
57.03432	1.5
57.07075	1.4
64.79447	0.4
67.05508	5.8
67.92227	0.4
68.47832	0.4
69.07070	3.8
71.08611	1.2
79.05509	2.3
81.03427	1.6
81.07063	5.5
83.04966	0.5
83.08641	2.7
84.20068	0.4
85.10172	0.7
87.04469	1.3
91.05485	1.8
93.07073	2.5
93.07574	0.5
95.04993	0.9
95.08615	4.7
97.06577	0.5
97.10167	1.0
98.98479	0.5
105.07067	1.0
107.08598	1.2
109.10139	2.2
111.86581	0.4
119.08601	1.3
121.10147	1.0
123.11722	0.8
125.09716	0.5
130.27863	0.5
131.08556	0.5
133.10109	0.9
135.11723	0.6
137.09637	0.6
149.09605	0.6
150.25894	0.4
153.01842	1.0
163.11211	0.8
179.55922	0.4
193.12337	0.7
233.11508	0.8
265.13916	0.5
283.15167	17.6
284.15598	0.6
301.16452	0.5
337.27225	0.8
339.17822	4.2
392.37195	0.5
424.39359	0.4
467.72647	0.5
498.94400	0.6
505.39111	3.6
521.38586	1.9
619.41803	100.0
620.42072	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
57.07085	1.0
67.05516	4.2
68.99277	0.7
69.07076	0.8
71.04984	1.7
71.30657	0.6
71.31050	0.8
79.05497	2.6
81.07048	6.0
83.08617	1.6
87.04470	2.2
91.05502	2.8
93.07059	2.9
95.08624	3.7
97.06522	0.9
100.34559	0.6
105.07029	2.2
107.08606	2.3
109.10166	1.8
120.44820	0.7
121.10172	1.3
131.08522	0.7
133.10164	1.3
135.11725	1.1
145.10083	0.8
147.11707	1.1
149.13322	0.9
151.11191	1.1
153.01828	7.3
157.10126	0.9
179.84088	0.8
209.11693	1.0
234.82838	0.7
267.15704	4.8
268.10809	0.8
272.00293	0.6
319.22482	2.5
323.18292	3.6
375.25162	1.9
505.39069	2.6
521.38239	1.2
529.35223	2.6
619.41888	100.0
620.42181	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	619.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60258	7.4
53.03945	10.2
55.05511	65.0
57.07077	23.0
59.89697	7.4
60.31664	7.1
63.62883	7.9
67.05511	38.1
69.07056	15.2
79.05492	32.9
81.07052	62.5
83.04974	12.8
83.08624	79.3
85.06596	9.7
87.04468	32.1
88.04712	7.9
91.05475	54.0
93.07043	69.7
95.04984	22.0
95.08611	45.7
95.90154	6.8
97.06527	35.2
98.85645	8.0
99.04470	6.7
103.09662	8.4
103.39199	7.3
105.07034	100.0
106.07376	12.7
107.04954	9.4
107.08604	70.7
109.06541	21.3
109.10161	34.8
113.09637	11.0
114.04980	7.9
117.07056	19.1
119.08579	76.2
120.08913	8.8
121.06541	9.1
121.10134	52.9
123.08065	22.2
123.11712	12.3
125.09659	19.6
129.06985	17.4
130.07799	8.3
131.08574	46.8
133.10100	51.9
134.10544	8.8
135.08092	12.3
135.11737	11.9
137.09650	14.8
139.11182	18.0
141.06952	10.5
142.07732	23.4
143.08617	47.4
144.09317	9.8
145.10124	61.2
146.10454	12.2
147.08017	19.3
147.11687	31.1
153.01840	22.3
155.08580	9.8
155.10638	13.7
157.10133	59.4
159.11684	35.2
161.13303	15.9
163.11235	11.9
165.09125	25.8
166.07877	8.8
169.10162	26.2
171.10332	8.9
171.11711	24.1
172.30278	7.8
173.09610	9.2
173.13350	19.2
175.14769	8.4
179.08627	10.1
181.10020	14.5
181.12244	27.0
182.10959	7.3
183.11717	22.6
185.13295	16.7
187.11366	9.8
189.12843	14.1
191.14296	9.7
195.11662	27.9
195.13728	8.9
196.12343	9.8
197.13277	12.8
199.14835	18.9
203.14221	13.3
207.11797	19.0
207.13745	11.0
208.14566	10.3
209.13260	17.7
221.15358	67.6
222.15773	22.8
223.14822	13.1
225.14839	35.2
233.15327	16.1
235.16763	12.3
239.17674	8.0
247.16977	12.0
287.20010	27.0
288.20444	14.4
300.20996	8.8
317.09857	8.7
330.52457	8.8
352.23792	21.0
353.24274	41.1
367.26135	13.9
539.36694	56.4
583.41699	9.8
601.42133	11.2
611.47913	7.8
619.43829	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	620.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
51.89410	0.1
53.03945	1.1
54.43198	0.1
55.01871	0.3
66.43441	0.1
77.03916	0.3
91.05482	3.6
93.07044	6.2
93.07633	0.3
95.05001	1.1
103.05473	4.3
105.04519	0.7
106.11023	0.1
121.06506	100.0
122.06837	3.3
138.09137	25.9
139.09447	0.9
155.04507	0.1
318.36429	0.1
416.51932	0.1
440.68396	0.1
444.90359	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	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.5
57.03439	11.0
57.07075	2.8
57.48576	3.1
59.05010	2.8
61.02890	2.9
61.81753	2.5
65.03947	3.8
67.05510	75.8
68.05833	2.8
69.07063	8.6
70.04417	2.9
71.04967	3.0
79.05483	12.7
81.07063	34.2
83.08611	8.9
85.02912	3.4
91.03893	2.5
91.05496	13.5
93.07056	23.7
95.08599	9.7
97.02911	2.5
105.07024	3.6
107.04970	3.2
107.08612	13.5
109.10166	50.1
113.06035	3.0
117.07034	3.4
119.08581	5.2
121.10155	7.9
123.11774	2.7
123.24217	2.7
129.74969	2.6
131.08545	5.3
133.10130	4.3
135.11702	4.5
137.09605	3.9
149.02356	14.5
149.13287	7.0
153.01865	14.0
154.02150	6.0
159.11711	4.9
173.11740	12.6
193.04944	8.2
195.13762	4.4
212.46703	2.7
215.45662	2.6
229.14343	50.1
269.17450	35.5
333.47891	2.8
385.08926	2.6
423.27441	100.0
424.27850	11.8
432.99451	2.9
597.61346	2.8
621.15564	4.9
621.48175	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	620.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05509	6.5
55.95776	1.2
57.03422	3.0
57.07076	22.2
57.97429	1.7
67.05499	14.3
69.07066	6.6
69.82824	4.5
71.08636	14.9
72.04514	3.7
79.05481	6.2
81.03423	31.3
81.07061	13.2
83.05019	2.0
83.08624	14.4
85.10188	5.7
87.04501	1.7
91.05495	7.2
93.07039	2.9
95.04970	9.4
95.08603	12.5
97.10172	4.6
98.98449	6.9
105.07022	5.8
107.04964	3.1
107.08617	3.2
109.10165	8.4
111.08082	1.6
113.28876	1.5
118.73693	1.3
119.08601	6.0
121.10154	3.4
125.37833	1.2
129.06990	3.2
131.08549	4.6
133.10083	1.3
135.08107	1.3
145.10150	1.4
147.11719	2.2
149.09637	2.4
155.01013	6.4
157.10120	3.8
159.61113	1.2
175.11162	3.2
189.11224	1.3
193.12225	13.9
211.13330	6.8
227.12868	2.5
239.23668	3.5
249.14713	1.6
255.02708	1.2
267.16089	2.1
291.23181	1.2
310.30963	5.6
313.27286	3.4
393.24060	1.7
505.38861	100.0
506.38956	11.0
522.38599	4.3
523.39563	1.7
620.41748	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	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23952	0.6
54.64201	0.5
55.05475	0.6
57.07064	0.6
67.05482	1.4
69.46908	2.2
72.19088	0.6
79.05500	0.6
80.28857	0.6
81.07045	1.3
86.43066	0.6
91.05477	0.9
93.07002	0.6
95.08567	1.5
95.58529	0.5
98.98425	0.8
99.40726	0.8
105.06999	0.8
142.74397	0.5
143.62471	0.6
171.92230	0.6
195.09949	0.7
209.10735	0.6
221.07593	0.6
281.96048	0.7
375.16196	1.4
387.15988	1.7
388.16721	1.9
389.17609	3.7
390.18521	1.7
391.19208	1.1
401.17773	2.2
402.14078	1.1
402.18512	2.0
403.19403	7.5
404.20090	4.7
405.20715	2.6
415.19501	1.4
416.16162	2.7
416.20853	1.0
417.16034	5.7
417.20972	4.2
418.17615	1.9
418.22147	1.3
419.17230	1.0
419.22342	11.4
420.22647	1.7
423.97244	0.6
429.17166	1.9
430.17813	2.6
431.18045	9.7
431.23676	0.9
432.18756	3.2
433.19986	2.8
443.18668	1.1
444.19257	1.0
445.20120	9.9
446.20874	8.5
447.21771	16.4
448.22293	3.0
458.20950	1.4
459.21750	4.0
460.18378	1.8
460.22894	1.9
461.19937	2.3
473.19403	2.0
473.24374	1.4
474.20398	17.7
475.21283	24.7
476.21756	2.7
486.20706	0.8
487.21307	7.5
488.22025	2.4
490.23492	0.7
491.20123	1.1
501.23080	3.5
502.23257	1.3
505.26434	1.3
517.22144	1.0
518.23602	0.8
519.20667	0.8
529.23291	0.8
531.36554	15.4
532.36761	0.7
533.25531	16.4
534.25836	2.5
546.22522	1.4
561.24951	95.9
562.25293	12.7
589.24182	3.2
593.27576	4.9
621.27039	100.0
622.27350	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.55485	1.2
72.46011	0.6
106.65102	0.6
110.68267	0.7
129.76718	0.6
212.93558	0.6
374.15588	0.7
375.15976	1.5
387.16483	1.0
388.17029	1.5
389.17487	3.6
390.18509	1.9
391.19153	1.3
401.17914	1.4
402.18570	1.9
403.14667	1.2
403.19513	6.3
404.20120	3.6
405.21002	3.7
415.19666	1.3
416.15778	1.3
416.20541	1.3
417.16220	6.0
417.21301	3.1
418.16885	1.4
418.21707	1.3
419.17923	0.6
419.22473	7.9
420.23096	2.1
429.16714	1.1
430.17920	1.8
431.18307	10.1
432.19064	4.8
433.19922	3.1
444.19644	0.7
445.20227	7.0
446.21002	7.7
447.21762	11.9
448.22742	1.1
459.22977	3.0
460.22824	1.0
461.19620	1.8
473.19879	2.3
474.20227	7.7
475.21323	9.5
487.21179	2.4
491.20279	0.8
492.12433	0.7
501.23169	1.5
505.26221	1.3
518.23016	0.9
519.20264	0.7
533.25549	12.5
534.25708	1.8
545.20093	0.7
561.24908	20.5
562.25342	3.4
589.24512	1.3
593.27673	3.8
621.27051	100.0
622.27399	13.3
647.93604	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.01869	2.4
55.05509	5.6
55.77259	1.5
57.03432	2.0
57.07073	5.3
64.23042	1.3
67.05526	7.2
69.07073	3.7
71.05009	1.6
71.08636	3.7
71.27273	1.4
79.05501	4.2
80.29482	1.2
81.07060	8.2
83.04966	1.5
83.08622	3.2
85.10162	2.5
91.05469	3.0
93.07052	3.7
95.04967	1.4
95.08624	4.9
97.10164	2.5
98.98466	2.7
100.05054	1.3
105.07016	2.3
107.08617	3.3
109.10213	3.0
119.08578	2.3
121.10164	2.5
123.08071	1.4
125.09647	2.1
145.10217	1.6
150.06448	1.5
155.01059	2.4
155.85068	1.4
184.84750	1.2
205.67696	1.6
211.13268	3.9
291.19690	1.8
383.14780	2.4
389.17639	4.5
390.18652	1.6
402.18927	2.1
403.19174	3.9
404.19565	2.3
405.20837	2.7
415.19720	2.0
417.16986	2.6
418.21869	2.2
419.22519	5.6
430.17679	1.8
431.18216	3.1
431.23212	2.0
432.19040	2.0
445.20242	6.1
446.21045	7.3
447.21820	11.1
459.17651	3.5
461.19839	4.7
473.19205	2.1
474.20590	12.4
475.21170	19.7
476.21445	3.6
487.21298	6.0
488.22070	2.0
501.22757	4.1
505.26038	2.3
529.22736	2.3
533.25806	10.1
561.25092	38.0
562.25543	5.3
587.37018	1.6
589.24402	2.0
603.46198	2.4
621.27057	100.0
622.27246	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
55.01873	8.6
55.05509	28.8
57.03439	10.0
57.07082	45.8
57.76876	4.1
62.71205	3.8
65.03956	4.2
67.05508	54.2
69.07076	19.9
71.08623	26.4
79.05495	39.4
81.03425	7.9
81.07059	100.0
83.04994	18.8
83.08618	25.6
85.02903	10.0
85.10175	19.9
91.05481	23.8
93.07053	30.4
95.04977	18.3
95.08626	42.0
97.06533	9.0
97.10170	21.3
98.98502	11.5
105.07053	15.9
105.48607	4.8
107.04972	9.0
107.08608	16.4
109.06540	11.6
109.10149	27.9
111.04449	14.9
111.08088	8.5
117.07004	5.6
119.08613	21.5
121.06548	11.4
121.10175	19.0
123.08104	29.3
123.11728	9.0
125.09650	17.8
131.08617	9.7
133.10107	9.5
134.62756	4.5
135.08037	6.6
135.11693	14.0
137.09650	4.9
143.08525	6.4
145.10167	12.0
147.08098	9.2
149.09663	5.7
153.12769	5.1
161.09644	5.9
163.11275	19.9
173.09592	5.6
179.32382	4.1
181.12250	10.4
189.11247	29.5
191.10591	9.4
211.13347	14.2
227.12808	25.9
227.17804	5.1
273.18448	39.3
291.19559	88.1
292.19888	6.2
309.20508	6.9
313.27350	63.5
347.22150	7.4
365.23138	34.1
383.14340	5.3
533.25586	6.3
603.46222	28.3
621.30890	24.7
621.47144	22.3
622.28595	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	623.1607
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03923	0.4
55.01884	0.4
57.03424	0.6
60.61941	0.3
65.03923	0.4
65.91275	0.3
68.99792	0.5
69.03431	17.1
69.61859	1.7
71.13401	0.3
85.02904	3.5
87.04434	0.4
90.74148	0.3
97.02895	11.3
107.04932	0.5
115.03930	7.7
121.02874	2.9
121.06489	0.7
123.04449	0.9
127.03876	0.6
133.02878	0.6
137.02365	1.3
137.05948	1.0
147.04416	1.1
151.03940	0.7
153.01830	8.1
153.02956	0.4
154.02138	1.4
157.04941	0.8
157.06383	0.6
165.01855	1.6
167.07042	0.7
175.06039	3.1
177.05478	0.5
183.02953	0.9
185.05983	0.6
189.91327	0.4
213.05475	1.3
222.35654	0.4
222.87999	0.5
231.06467	0.8
241.05032	0.5
258.05228	0.6
259.06158	0.4
287.05493	100.0
288.05856	4.8
299.05444	1.5
321.05954	1.0
365.06546	0.6
449.10800	5.3
450.10867	0.5
461.17905	0.4
567.54517	0.4
576.22241	0.4
622.40955	0.5
623.09863	8.7
623.22479	2.4
624.10321	1.4
624.22235	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	623.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01881	1.8
69.00265	13.3
74.40107	1.4
74.98492	1.2
79.05498	2.0
91.05484	18.6
93.07052	19.6
95.04980	5.8
98.22451	2.2
103.05472	14.3
105.04554	1.9
107.04982	4.3
121.06514	100.0
122.06833	2.7
133.06485	1.6
134.05998	1.6
137.06020	5.4
145.06506	1.7
147.08105	2.2
161.05978	1.8
201.05304	14.2
205.06616	1.4
214.66060	1.3
222.06821	1.7
233.06049	2.0
234.06783	2.0
235.07637	2.3
237.09001	1.9
238.06247	1.6
238.08510	1.7
239.07103	2.2
243.10161	5.5
249.05490	2.3
250.06293	2.4
253.08595	2.7
259.03900	1.4
261.05566	1.6
263.07104	4.7
264.07742	2.0
265.05017	1.7
265.08585	4.4
267.06570	1.6
270.11417	2.2
278.05597	1.7
279.06396	2.3
280.07358	1.8
281.08087	2.1
291.06543	5.7
292.07291	4.8
293.04721	2.5
293.08185	4.6
296.10553	5.3
302.64667	1.4
307.09705	6.1
308.06943	7.4
320.07007	1.5
323.09213	10.7
325.10602	15.6
326.11035	2.9
334.07050	2.3
335.09039	2.5
336.06424	2.2
340.11887	3.7
348.08496	3.1
351.08640	28.0
352.12082	1.9
366.09680	15.2
380.11322	5.6
395.02765	2.3
441.13358	2.2
458.15833	12.2
459.15308	1.9
460.17532	6.2
461.18152	1.8
462.19110	2.6
486.15512	72.8
487.15811	6.8
495.40607	1.6
503.05743	1.7
606.21393	2.7
623.24591	12.4
624.09906	1.7
629.80176	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	623.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65926	0.8
52.34616	0.9
53.03949	3.5
55.01876	1.7
60.05648	1.2
67.05523	1.8
69.03423	1.3
70.24248	0.8
71.04989	1.3
71.80637	1.0
79.05502	2.5
81.03413	1.5
81.07041	1.3
89.03944	2.7
91.05483	18.5
93.07047	14.8
94.04209	1.2
95.04980	6.0
103.05469	12.9
105.04518	1.7
105.07031	3.7
107.04956	24.4
115.05445	4.1
116.05019	2.0
117.03419	2.1
117.07005	2.0
119.04945	7.2
120.05738	4.1
121.02879	3.3
121.06509	62.1
121.10110	1.1
123.04490	1.6
131.04965	2.3
133.06451	4.2
134.03610	1.6
134.06036	2.4
135.04417	2.3
136.07596	2.5
137.05981	26.8
138.09154	4.0
143.04929	5.1
144.04440	7.0
145.02837	6.5
145.06470	8.2
145.87216	0.9
146.06024	3.5
147.04460	2.4
147.08026	1.0
149.05972	7.0
150.05563	1.1
150.06700	2.1
151.03926	5.8
158.03654	2.6
159.04431	1.4
159.32059	0.8
160.05276	1.3
161.04764	1.1
161.05966	4.0
162.05521	15.0
162.06747	0.7
163.03903	2.4
163.06300	1.0
164.07043	4.3
165.05495	1.5
165.06912	1.9
166.07741	1.0
167.07111	1.3
171.04425	1.0
173.05988	7.8
175.03961	3.2
175.07579	4.3
176.07204	6.1
177.05569	9.5
177.06996	2.9
178.07643	1.7
179.08583	1.9
179.11034	0.9
181.06496	1.4
183.08075	1.5
186.03123	10.6
187.03716	1.0
188.07106	1.2
189.05457	3.1
189.07016	1.9
193.06537	2.1
194.07272	6.4
195.08040	2.2
201.05472	26.9
202.05939	1.0
202.07767	1.1
203.07033	2.5
204.05981	1.1
205.04759	1.7
205.06506	18.9
206.07161	2.6
207.04797	1.4
207.06551	6.1
207.08221	2.0
210.06770	3.4
210.09154	2.6
211.07523	3.7
215.03369	2.9
217.04800	1.3
217.06670	1.5
218.07248	1.2
219.08144	3.3
220.05157	1.9
221.06006	7.2
221.09460	1.3
222.06757	11.8
223.07495	1.6
226.08577	1.2
227.07140	1.3
228.06519	1.4
229.08614	1.6
233.05975	24.4
233.08235	1.3
234.06696	5.6
235.03711	1.5
235.07555	6.1
236.04655	1.7
236.08348	1.7
237.05490	1.8
237.09096	13.6
238.06320	8.3
238.08650	1.4
239.07074	8.2
240.07693	0.9
247.07587	6.7
248.04616	2.5
248.08316	2.0
249.05510	8.5
249.09251	1.3
250.06236	20.5
250.08592	1.7
251.06985	5.0
252.07729	1.1
253.08632	10.5
254.05861	1.1
254.09271	7.5
255.08847	5.3
256.06122	1.3
257.06125	1.0
260.04752	1.3
261.05423	5.3
262.06204	2.9
263.07053	6.7
264.07837	11.8
265.05026	5.3
265.08612	29.1
266.05688	1.0
266.09146	3.7
267.06558	4.6
267.09525	1.5
269.07831	1.0
269.10519	3.8
270.08374	1.5
270.11243	28.1
271.11917	5.2
272.12634	1.0
274.06158	1.9
275.07101	3.1
277.04950	5.2
277.08463	2.9
278.05740	18.7
278.08487	1.2
279.06500	3.9
279.10226	3.7
280.07367	3.8
280.10410	1.0
281.07828	2.2
282.08917	3.7
283.09515	1.8
289.04974	2.8
289.08304	1.3
290.05478	1.1
291.06525	6.6
292.07254	30.6
293.04562	4.0
293.08011	31.6
294.05338	1.1
294.08563	3.4
295.05957	3.0
295.09610	4.1
297.11267	5.9
299.09183	2.5
299.12933	1.2
302.05707	3.4
303.06525	1.1
304.03625	1.3
305.04248	2.2
305.07413	1.3
306.05261	3.9
306.08499	1.4
307.06021	2.3
307.09631	44.1
308.03275	1.1
308.06802	21.1
308.10077	3.2
309.07291	2.1
310.08246	5.0
314.13879	9.5
316.06183	1.1
317.04489	2.1
317.08081	4.7
319.05814	2.1
319.09302	1.3
320.06311	6.4
321.07455	1.3
323.09137	19.7
325.10709	100.0
326.11029	7.7
331.08459	2.1
332.09277	1.6
334.04626	1.7
334.10626	1.1
335.09055	15.0
336.06033	4.2
337.09348	5.3
338.13986	1.5
343.11835	2.7
347.09158	1.7
349.07047	41.6
349.10403	1.9
350.07379	3.0
351.08624	54.9
352.12122	13.7
362.10251	6.0
364.11874	6.7
379.10434	2.6
380.11258	41.8
381.11795	3.1
392.11258	7.7
441.13260	2.9
459.19321	1.9
460.17465	8.6
461.18030	1.2
462.12387	1.4
462.19113	40.0
463.19391	3.8
469.12805	3.7
486.15448	65.7
487.15707	8.4
488.17014	3.8
504.16608	7.6
517.19720	4.6
529.20013	1.2
595.24194	1.6
606.20831	2.3
623.23987	12.9
624.23859	1.7
627.87384	1.0
632.88678	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	9.4
55.90415	2.9
57.03429	3.3
57.07083	5.7
59.30554	2.6
63.98220	2.8
67.05505	15.2
68.48161	3.1
69.07076	7.5
70.94477	3.5
71.08684	2.7
71.63247	3.5
76.18434	2.8
79.05495	17.8
79.45319	3.2
81.07056	23.8
89.06045	7.8
91.05489	11.7
93.07058	12.7
95.04988	3.3
95.08630	14.4
97.10179	5.0
105.07060	10.1
107.08609	11.3
109.10181	3.9
112.86761	2.6
117.07041	8.6
119.08593	11.2
121.10185	5.4
125.09621	3.2
129.07047	3.8
131.08595	9.0
133.10170	5.4
145.06499	6.6
145.10130	5.9
147.11649	4.3
155.08649	3.1
155.55397	3.2
159.11719	3.7
255.78471	2.9
271.16971	5.6
271.20615	3.8
305.25107	2.9
335.25903	3.2
390.28751	3.1
392.19925	4.7
393.91736	2.9
405.20844	6.0
406.21844	5.3
407.22287	14.0
414.18607	4.2
415.19424	4.9
421.23660	13.9
422.24567	3.3
429.21127	17.4
430.21426	5.3
442.21774	4.0
443.22327	7.1
444.23541	5.0
445.20013	4.8
449.22275	3.7
457.24203	4.8
458.24738	11.7
459.21805	8.4
460.22540	6.9
472.22403	11.7
473.23544	3.9
475.21182	8.2
476.21844	12.8
477.22540	5.4
484.19287	3.7
485.23721	17.9
486.23788	6.6
489.22580	4.9
499.21201	7.7
500.22131	4.4
502.23761	3.8
503.24176	9.3
507.24677	3.3
513.22974	6.0
514.23535	3.6
517.25714	11.5
535.26984	7.2
545.25494	100.0
545.33807	5.6
546.25763	15.6
563.26257	4.2
573.25085	21.2
574.25513	3.4
605.27661	98.6
606.27826	15.3
623.28644	88.5
623.44501	9.2
624.28564	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07978	0.6
64.60021	0.7
67.05496	0.8
70.24451	1.3
77.90832	0.7
78.75291	0.7
79.05508	1.6
81.07071	2.1
91.05530	0.7
95.08637	1.5
119.08640	1.1
121.10150	0.8
186.70573	0.7
375.16180	1.1
390.18665	1.3
391.19199	1.8
405.20923	3.7
415.19131	1.3
416.20026	1.2
418.18079	1.5
419.18021	1.6
420.23178	2.1
429.20767	3.5
430.21609	1.4
433.20267	3.0
443.22638	1.8
444.23505	1.2
445.24100	1.0
447.17865	9.5
448.22577	3.2
449.23273	3.6
456.19501	0.9
457.20172	1.5
458.25418	1.0
459.21274	3.9
460.22604	1.0
461.19385	7.5
462.20685	2.2
463.21442	1.4
472.22287	1.4
473.23416	2.4
475.21747	1.3
476.22052	26.5
477.22842	5.3
479.20901	1.5
485.23401	3.9
487.24921	2.0
489.18756	1.2
503.24387	1.1
517.26215	1.7
519.23834	2.2
531.23920	2.8
535.25946	0.8
545.25513	14.5
546.25916	3.0
563.26385	8.3
564.27014	1.2
605.27570	2.8
623.28613	100.0
624.28961	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01878	0.5
55.05510	1.6
67.05519	2.5
71.27653	0.4
79.05498	2.1
81.07062	3.0
83.04998	0.5
83.08633	0.8
91.05482	1.7
93.07059	1.4
95.08591	1.0
97.06536	0.7
105.07031	1.4
107.04979	0.6
107.08577	1.0
108.68263	0.4
109.06582	0.5
109.10155	0.9
111.34442	0.4
117.07050	0.6
119.08607	1.3
121.10167	0.7
123.08205	0.4
131.08580	0.8
133.10167	0.9
143.08583	0.5
145.10144	0.9
147.11732	0.8
159.11586	0.6
161.09689	0.5
162.38510	0.4
169.10309	0.4
171.11705	0.5
223.12193	0.5
275.20123	1.7
289.18256	0.7
290.18344	0.5
373.27206	0.4
387.16147	0.5
388.17084	0.7
389.17963	0.7
391.19275	1.3
392.20255	0.5
401.17816	1.1
402.18808	1.0
403.19266	1.8
404.20236	0.5
405.20868	1.6
406.21509	0.6
407.22333	0.9
415.19254	1.6
416.20334	0.8
417.16254	0.9
417.21539	2.3
418.17499	0.9
419.22812	3.0
420.23083	1.4
428.20755	0.6
429.21188	1.2
430.17844	1.5
430.22504	0.7
431.18005	2.9
432.18655	1.9
433.20117	6.1
433.24835	0.6
434.20953	1.7
435.21771	0.7
443.18414	2.1
444.19553	1.8
445.20029	5.7
446.21002	4.2
447.22025	5.2
448.22455	1.4
449.23438	0.6
458.20956	6.3
459.21814	6.4
460.22699	4.4
461.18796	0.5
462.20596	1.0
463.21347	2.0
471.21957	0.5
472.22873	0.7
473.23413	1.3
474.24219	0.5
475.21063	1.2
476.22263	1.2
477.22833	2.0
486.24347	0.8
489.18359	0.6
490.23532	0.7
491.24548	0.9
503.24771	0.7
504.24722	0.5
505.22021	0.6
505.26968	0.5
517.22345	1.1
518.23102	4.1
519.24023	0.7
521.21869	1.1
530.22949	0.6
531.24042	0.6
532.24585	0.9
533.25616	8.6
534.25739	1.0
535.26819	1.4
545.25531	2.3
546.26141	1.3
563.26587	8.2
564.26874	1.7
573.25134	0.6
577.28314	0.9
590.25006	0.6
605.27563	9.7
606.27924	1.5
623.28644	100.0
624.28998	15.9
624.39276	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37762	0.9
62.56299	0.8
69.02190	4.4
69.02612	4.3
69.20739	0.8
73.45362	0.8
73.94501	0.9
77.50919	0.8
79.05503	1.3
86.92428	0.9
93.07072	1.1
97.53011	1.0
113.16415	1.0
247.46094	0.9
307.11365	0.9
310.13034	1.0
311.13943	0.9
366.19455	0.9
387.16367	1.1
388.80441	1.1
389.17984	1.6
391.19305	3.5
392.20056	1.1
402.17947	1.2
405.21219	1.9
417.16879	1.8
419.18420	2.7
419.22830	2.7
421.24017	2.5
431.18384	1.8
433.20035	4.2
434.20853	1.3
435.21869	1.2
444.19067	1.2
445.20468	2.6
446.21255	2.2
447.17133	1.5
447.21902	3.2
448.22403	2.5
449.23303	4.0
457.20328	1.3
458.21112	1.4
459.21643	2.1
460.22668	1.6
462.20261	1.4
463.21307	1.9
475.21136	1.8
476.22000	4.6
477.22968	5.1
489.22983	2.1
498.67087	1.0
533.25177	3.0
535.27130	2.6
545.25311	1.7
563.26642	16.5
564.27527	2.1
605.26978	2.1
623.28662	100.0
624.28839	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91766	1.2
52.72518	1.3
56.71541	1.3
79.05498	2.5
91.51687	1.1
91.90833	1.3
98.86514	1.5
113.29261	1.5
115.13322	1.5
142.00127	1.4
159.63611	1.3
166.69847	1.4
346.84802	1.6
405.20642	1.6
417.17087	2.0
419.18317	2.3
433.20392	4.8
445.19943	1.8
446.20203	1.5
447.21695	4.1
448.22897	2.7
449.23517	5.3
458.20990	1.7
459.22137	1.7
463.21237	2.1
476.22116	6.7
477.22797	6.0
489.23083	2.4
521.22034	1.8
533.25519	3.7
535.27081	4.2
563.26477	16.1
564.26947	2.1
605.27576	3.1
623.28625	100.0
623.38989	3.7
624.28888	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01884	2.0
55.05514	6.2
57.03439	1.3
57.07090	0.5
59.05016	0.4
60.68839	0.3
65.03940	0.9
66.04726	0.5
67.05509	12.6
69.03436	0.6
69.07071	5.1
71.04991	0.5
71.28140	0.5
72.27512	0.3
77.03949	0.3
79.05495	12.0
81.03419	5.1
81.07059	22.2
83.04994	1.3
83.08626	4.0
85.06525	0.4
91.05482	11.0
93.07041	7.9
94.06583	0.5
95.01344	0.5
95.04981	2.6
95.08614	6.5
97.06540	2.7
97.10213	1.4
99.08135	0.5
103.05502	0.8
105.04475	0.4
105.07034	9.7
106.06549	0.4
107.04952	2.8
107.08593	5.2
108.08139	0.4
109.06511	7.1
109.10162	2.6
111.08087	0.9
115.05489	0.9
117.07017	4.1
119.08585	7.1
120.08132	0.4
121.06506	1.2
121.10159	3.7
123.08096	1.1
123.11694	0.9
125.09661	1.2
128.06265	0.9
128.97948	0.3
129.07053	2.2
130.06535	0.4
131.04977	0.6
131.08568	3.7
132.08105	0.4
133.06520	0.8
133.10133	5.2
135.08090	1.1
135.11731	1.5
136.05846	0.3
137.09608	0.7
137.13284	0.4
141.07068	0.9
142.07840	0.7
143.08569	2.0
145.10130	3.6
147.08086	0.4
147.11684	3.2
149.09625	1.6
149.13300	2.1
151.11130	0.8
153.07100	0.3
154.07838	0.4
155.08603	1.7
157.10136	2.2
159.04449	0.4
159.11685	2.7
160.05251	0.6
161.06007	1.1
161.09674	1.0
161.13319	0.8
163.11229	1.4
163.14882	0.9
167.08607	0.5
169.10178	1.5
171.08101	0.5
171.11710	1.3
173.06006	0.8
173.13316	1.4
175.11279	0.6
175.14915	0.4
177.12772	0.7
179.08652	0.5
179.14346	0.5
181.10133	1.1
183.11708	1.8
185.13358	0.9
187.14932	0.6
193.10321	0.6
193.12364	0.4
195.09138	1.8
195.11768	0.6
196.09973	1.4
197.10820	1.1
197.13286	0.9
199.11380	0.5
201.16367	0.4
207.11813	0.6
208.09900	0.5
209.10796	4.1
209.13231	0.7
210.11473	2.4
211.08757	0.7
211.12312	2.2
211.14990	0.6
212.13025	0.5
221.10803	1.2
221.13319	0.7
222.11334	0.8
223.08812	0.8
223.12314	4.6
223.14523	0.5
224.09459	0.8
224.13058	6.2
224.15147	0.5
225.10379	1.6
225.14024	2.5
225.16025	0.7
227.12755	0.8
229.19545	0.8
235.08701	1.0
235.12349	0.9
236.09534	0.7
237.10271	3.1
237.13872	3.8
238.10939	0.8
238.14586	1.1
239.08208	0.5
239.11740	0.6
239.15491	2.3
239.17941	0.8
245.13336	0.5
247.12489	0.6
247.20694	1.5
249.10265	1.4
249.13708	0.3
250.11087	1.3
251.08141	0.6
251.11798	1.4
252.12523	0.8
253.09528	0.3
253.13446	0.9
257.19083	1.2
263.08228	0.7
264.09021	0.5
264.12341	0.4
265.09888	0.9
265.13483	3.4
271.13324	0.8
275.20081	13.1
275.22992	0.7
276.20551	0.4
277.09769	1.1
279.11407	0.7
283.10532	0.5
288.14847	0.4
291.08029	0.4
291.19647	0.5
293.21225	1.2
296.11768	0.8
297.12488	0.9
298.13589	0.4
299.15292	0.5
300.15106	0.7
305.09131	0.5
309.12509	0.8
311.13940	3.4
325.12183	0.5
328.14508	0.5
331.22769	0.5
335.25946	0.6
337.11942	0.8
338.12860	0.5
338.16733	0.4
339.13763	0.5
340.14215	0.5
349.23572	0.7
389.18024	0.6
391.19476	0.7
392.20169	0.5
393.21066	0.6
402.48157	0.4
403.15399	0.8
404.15829	0.5
404.20337	0.4
405.16483	0.8
405.20920	1.4
407.22687	0.6
416.17374	0.5
417.17090	1.3
418.17407	1.8
419.18320	2.4
420.19382	1.0
431.18814	1.2
432.20135	0.6
433.20404	3.6
434.21082	0.9
435.21664	0.5
445.20917	0.8
447.17108	0.6
447.21982	1.4
448.18442	0.6
449.23712	0.9
459.21622	0.4
460.18628	0.5
461.19919	1.4
461.24329	0.5
461.29221	0.4
462.20166	0.6
463.21265	1.1
464.20822	0.4
475.21255	1.6
476.22208	3.0
477.22818	2.1
479.20810	0.5
489.22696	1.1
491.21085	0.6
493.22745	0.5
499.05679	0.4
503.24454	1.1
505.22482	0.8
506.23032	0.8
507.23315	0.5
516.21588	0.9
520.24554	1.1
521.25281	0.7
522.26526	0.4
531.24084	0.8
531.37988	0.5
533.22028	0.9
534.22711	0.5
535.23883	2.5
535.26434	2.6
548.24152	2.8
549.24493	0.8
549.39581	0.4
554.36194	0.7
563.26538	18.3
564.26813	3.6
570.86279	0.4
591.26001	2.8
594.24432	0.5
595.29388	0.9
605.41840	1.4
623.28638	100.0
623.43256	11.7
624.28986	14.2
624.43164	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	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01875	6.5
55.05515	22.5
57.03428	7.5
57.92241	2.5
61.02925	28.7
61.96479	2.1
65.03931	4.9
67.05511	38.7
69.03410	6.5
69.07072	16.8
71.04997	4.5
71.29748	2.6
73.02921	8.2
79.05495	37.9
81.03425	9.2
81.07057	41.7
83.04986	4.4
83.08626	13.9
85.02906	19.9
85.06548	3.4
91.03951	14.4
91.05486	54.8
93.07040	33.5
95.04976	10.0
95.08601	24.8
97.02907	15.9
97.06529	6.1
97.10194	4.9
105.07040	37.5
107.04964	9.1
107.08593	15.7
109.02836	2.6
109.06537	7.1
109.10168	11.0
111.08125	3.3
115.05515	5.1
116.91538	2.3
117.07013	32.4
119.08561	24.2
121.06514	9.3
121.10120	13.9
123.08082	4.2
123.11668	2.3
125.09593	3.6
128.06213	8.9
129.07002	42.1
131.08559	44.5
133.06491	7.2
133.10123	13.8
135.08063	4.4
135.11671	5.0
137.09717	3.1
141.06981	15.6
142.07768	3.5
143.08575	30.1
145.06488	10.4
145.10101	21.3
147.08057	8.1
147.11713	6.9
149.09636	5.7
153.07010	4.1
155.08551	29.1
157.10155	18.3
159.08025	5.0
159.11734	11.8
161.09622	5.2
163.11197	4.2
166.07867	3.9
167.08627	10.5
169.10101	15.5
171.08070	2.9
171.11707	14.7
173.09793	3.7
173.13274	4.1
175.14697	2.9
177.05496	2.9
177.12706	3.8
179.08585	5.6
181.10071	12.8
183.08109	3.1
183.11627	15.2
185.09656	4.7
185.13324	9.0
187.11247	3.2
187.14983	2.5
193.10159	4.8
195.11691	14.3
197.13210	5.3
199.11255	4.4
199.14798	4.4
205.12108	3.0
207.11772	6.7
208.12335	3.1
209.13303	9.8
211.11107	3.4
211.14870	5.0
213.16457	3.0
215.14386	10.0
221.13298	10.2
223.14873	7.5
225.12634	3.3
225.16391	3.6
227.14458	3.5
229.16031	4.4
235.14838	5.3
239.14484	4.3
253.15862	6.8
257.15439	5.1
257.61575	3.0
259.17184	2.9
271.16885	6.5
292.07214	3.4
315.21213	3.8
323.23761	9.9
333.22241	17.1
335.08990	7.2
336.09735	3.2
341.24805	4.8
349.07117	3.4
351.23151	43.0
352.23495	6.4
367.11975	4.0
369.24243	32.8
370.24585	4.4
387.25287	19.9
425.26801	7.6
443.27896	100.0
444.28491	15.0
445.87082	2.7
461.28961	64.8
462.29340	5.8
525.01038	2.8
569.30695	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	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03950	6.2
55.01627	2.0
55.01871	17.1
55.05514	49.2
57.03436	6.3
57.07073	3.5
59.05013	1.2
61.06356	0.9
65.03941	5.2
66.04716	1.4
67.05506	65.3
69.03430	5.4
69.07071	28.5
71.04996	5.0
77.03962	1.1
79.05496	70.1
79.43390	1.1
80.05833	1.2
81.03415	17.5
81.07059	91.0
82.07420	2.1
83.04989	10.3
83.08620	24.1
84.08960	1.5
85.06552	4.1
91.05480	56.4
93.07047	48.5
95.01331	4.0
95.04969	13.5
95.08606	40.2
97.02907	1.5
97.06538	21.6
97.10174	18.6
98.23392	3.8
99.08112	1.6
103.05463	3.6
105.04562	2.8
105.07034	49.7
107.04950	16.2
107.08591	31.7
109.06525	20.1
109.10162	20.5
110.87717	1.0
111.08049	5.1
113.09647	1.0
115.05459	7.1
116.06274	1.1
117.07006	24.3
119.08580	37.0
120.05722	1.1
120.08945	2.0
121.06522	4.1
121.10126	17.1
123.04445	1.6
123.08074	6.1
123.11708	5.5
125.09634	13.1
128.06226	6.0
129.07011	19.2
131.04892	1.8
131.08569	26.0
133.06496	3.6
133.10135	26.3
135.08109	6.6
135.11687	8.3
137.09621	3.0
139.07635	1.2
141.07004	11.0
142.07805	5.3
143.08577	18.4
144.09250	1.1
145.06473	2.6
145.10112	22.7
147.08107	2.9
147.11694	16.9
149.09619	7.7
149.13243	8.2
153.06992	2.5
154.07809	3.2
155.08540	14.7
156.09189	1.3
157.06517	1.7
157.10135	15.2
159.08095	3.3
159.11719	15.5
160.05243	1.6
161.06046	4.0
161.09653	3.7
161.13287	6.7
163.11197	6.1
163.14880	3.4
165.07037	2.6
165.09186	1.4
165.12813	1.7
166.07851	1.7
167.08531	8.6
168.09361	3.8
169.10130	17.0
170.10837	1.0
171.11668	12.9
173.06055	3.7
173.09688	1.9
173.11984	1.8
173.13255	8.7
175.11255	2.6
175.14854	2.7
177.12827	2.7
178.07884	1.3
179.08621	4.1
179.14363	5.3
180.09402	2.7
181.10143	10.6
182.10826	1.9
183.08125	1.9
183.11688	12.4
184.12114	1.2
185.09737	1.6
185.13232	7.0
187.11195	2.3
187.14874	3.2
189.11270	7.7
189.12787	2.4
191.14409	1.3
193.10197	5.2
193.12161	2.3
194.11044	1.8
195.11714	9.8
196.12373	1.4
197.13319	10.8
198.13771	1.1
199.11224	2.5
199.14859	4.8
201.16479	1.7
205.10278	2.0
205.12199	1.5
207.11705	4.7
209.13295	6.1
211.14839	5.9
212.15453	1.2
213.12817	1.6
213.16446	4.0
215.18060	1.3
219.11809	2.9
221.13307	4.7
223.14915	3.3
225.16476	4.6
227.12691	12.3
227.18007	2.0
229.19505	4.2
233.13181	1.7
235.14867	3.0
237.16429	3.0
239.14423	1.6
239.18037	6.4
241.19627	2.7
245.13322	1.8
247.14853	1.4
247.20638	4.2
251.18033	1.9
253.19633	2.0
257.18985	7.4
259.20679	3.9
263.17984	1.5
267.21204	1.3
271.13345	3.1
273.14868	1.8
273.18649	2.1
275.20074	58.5
276.20563	2.5
289.18439	1.6
291.19446	12.2
293.21249	4.5
309.22147	1.6
315.23196	2.0
323.23669	1.6
325.21475	1.4
331.23068	1.3
335.26276	1.2
337.21848	1.5
345.17047	1.4
349.23953	3.0
363.27075	2.3
377.28937	1.2
379.29898	7.9
381.27905	1.6
437.30753	1.3
469.33496	1.3
483.36948	2.4
511.34921	1.3
513.37390	3.2
525.35822	4.3
526.36688	1.5
531.38470	5.1
549.39435	3.9
554.35889	3.0
567.40643	2.1
605.42133	16.9
606.42255	3.5
623.26410	2.5
623.43054	100.0
624.43481	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.8
51.02375	0.6
53.03946	4.9
55.01877	34.8
55.05514	20.5
56.44875	0.5
57.03433	2.7
57.07066	1.1
58.08209	0.5
59.04989	0.6
62.76884	0.5
64.58270	0.6
65.03941	4.0
67.05508	43.7
68.05830	0.7
68.35794	0.5
68.99800	0.8
69.03442	2.5
69.07071	35.7
70.07397	0.7
71.04992	2.3
73.06544	0.7
77.03944	1.6
79.05497	43.6
80.05827	0.7
81.03429	9.3
81.07061	65.6
82.07401	1.2
83.04988	9.3
83.08627	9.0
84.74301	0.5
85.06552	1.7
88.16228	0.5
91.05487	57.0
92.05827	1.4
93.07051	35.2
94.07412	0.6
95.01337	13.1
95.04975	13.3
95.08612	34.4
96.08943	1.0
97.02876	1.1
97.06535	67.6
97.10168	2.8
98.06879	1.0
98.23449	0.9
99.08080	1.1
103.05476	2.5
105.04533	1.3
105.07037	68.0
106.07367	1.8
107.04961	24.4
107.08602	18.3
108.08949	0.7
109.06522	13.7
109.10163	9.0
111.04475	1.3
111.08080	3.5
113.09654	1.8
115.05458	2.7
116.06250	0.8
117.07025	16.6
119.04911	0.5
119.08587	35.9
121.06513	4.2
121.10159	8.8
123.04431	3.3
123.08086	4.1
123.11723	2.3
125.09625	2.2
128.06239	1.3
129.06990	3.4
130.07797	1.3
131.04906	0.7
131.08577	24.0
133.06509	1.3
133.10138	35.5
134.10486	0.9
135.08078	5.8
135.11685	7.1
136.12033	0.5
137.09651	4.0
139.07558	3.3
140.05083	0.5
141.07002	2.6
142.07809	1.3
143.08574	4.5
145.06520	2.1
145.10133	17.6
146.10678	0.5
147.08029	1.2
147.11693	18.8
148.08893	0.6
148.11977	0.8
149.09616	10.0
149.13269	4.4
151.11160	3.0
154.07808	0.5
155.08568	2.2
157.10133	4.7
158.74242	0.5
159.08134	0.7
159.11710	11.2
161.09651	1.1
161.13266	6.8
163.11201	7.1
163.14854	1.5
165.09119	3.8
165.12701	1.0
169.10121	2.4
171.11652	2.9
173.09608	0.8
173.13287	5.5
175.11186	1.3
175.14760	0.7
177.12770	3.1
179.14323	20.1
180.14641	1.1
183.11745	2.7
185.13255	1.7
187.11163	3.2
187.14832	1.8
191.14372	0.6
193.12254	2.2
195.11823	0.5
197.13275	2.4
199.14758	0.7
201.12671	0.6
203.18144	0.6
205.12303	1.1
211.14836	0.9
215.14372	0.9
215.17929	1.3
219.13844	1.4
219.17482	1.5
227.17786	0.5
229.19489	3.2
233.15314	0.8
233.18938	0.7
239.18069	2.7
247.20546	6.0
257.19019	7.4
258.19604	0.7
275.20068	100.0
276.20428	6.4
279.15967	0.6
289.17743	0.9
293.21127	7.3
331.22705	2.2
349.23682	3.1
389.26282	0.6
439.52161	0.6
605.40778	1.0
623.28680	2.0
623.42981	31.1
624.43250	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	623.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01865	10.4
55.05276	3.7
55.05514	38.8
55.89016	3.0
57.03436	6.7
57.07072	40.8
57.14806	2.9
63.54437	2.5
65.03947	2.9
67.05184	3.8
67.05508	46.4
69.07082	17.0
69.49691	2.8
71.04974	4.1
71.08636	39.6
71.28312	3.3
71.28819	4.6
72.89793	2.6
77.76625	2.8
79.05497	29.0
81.03409	9.3
81.07067	46.4
81.97794	2.9
83.04992	21.8
83.08627	29.8
85.02906	3.3
85.10203	15.3
91.05479	17.5
93.07045	27.0
95.04984	30.7
95.08618	35.1
97.06538	6.5
97.10176	24.9
99.08088	10.5
105.07035	16.5
107.04965	9.3
107.08585	31.9
109.10175	19.1
111.04442	19.1
111.08076	9.5
113.09603	3.6
117.06998	9.0
119.08593	10.9
121.06547	3.3
121.10130	14.6
123.11684	5.4
125.09633	22.6
131.08568	7.8
133.10168	6.7
135.08067	8.0
135.11716	9.6
145.10124	15.3
147.08102	3.2
147.11688	4.9
149.09634	10.6
153.09126	7.5
153.12704	6.7
159.11743	4.2
163.11203	32.4
165.12762	3.8
167.10744	5.1
177.12837	6.9
181.12228	8.9
189.11205	29.2
191.10684	4.5
193.12283	6.0
195.13812	9.6
223.13336	9.8
227.12715	11.9
237.14915	5.5
239.23624	7.4
240.60698	2.7
247.20442	4.1
257.19003	7.9
275.20050	32.6
283.15497	4.4
293.21106	100.0
294.21555	7.8
311.22092	3.9
313.27365	72.0
314.27786	4.9
349.23767	11.0
367.24750	39.7
437.35944	3.9
483.37003	3.5
605.47900	25.0
623.28522	4.3
623.49634	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	624.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02386	0.7
55.01866	0.2
62.83080	0.1
69.03432	1.1
69.50027	1.0
79.01859	4.0
81.03433	1.0
85.02903	0.2
87.26288	0.2
97.02909	0.8
98.23372	0.3
99.04454	0.2
103.03944	0.2
107.01355	1.0
109.02879	0.6
116.23873	0.2
123.00791	0.2
125.02355	2.4
127.03931	2.0
133.02864	0.4
143.03403	5.4
153.01837	100.0
153.02867	4.9
154.02148	2.6
163.03888	0.4
165.05495	0.4
171.02950	0.3
177.05595	0.2
187.04042	0.2
191.03404	0.9
195.02834	0.2
203.07010	0.2
205.04974	0.2
209.04391	0.2
213.03995	0.5
219.02899	0.3
225.04289	0.2
231.06558	0.5
233.04459	0.2
237.03943	3.0
242.05756	0.2
249.07628	0.2
255.04941	0.2
261.03946	0.4
270.05252	2.1
279.05078	1.1
297.06131	1.8
298.04636	1.0
299.05811	0.3
315.04962	0.5
316.05731	0.7
331.08112	7.0
373.41623	0.2
449.07144	6.0
449.13379	0.3
450.07535	0.6
467.08243	4.4
468.08453	0.3
493.06375	0.3
493.13461	4.7
529.33881	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	624.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
51.86646	0.6
51.99233	0.7
54.01401	0.6
54.69047	0.8
56.05037	1.1
56.05988	0.7
61.02929	0.9
61.79947	0.8
69.03421	1.5
70.06595	0.9
79.01860	2.4
81.03426	1.4
84.04515	20.2
85.02906	1.0
86.09757	1.0
96.04485	2.8
97.02895	2.4
98.06079	1.4
107.01283	1.2
109.02874	2.0
111.04534	0.7
121.06547	0.9
123.04446	1.9
125.02376	1.9
126.05523	21.2
127.03905	2.8
127.05791	0.8
127.22560	0.8
138.05522	15.9
139.03912	2.5
143.03433	4.6
144.06563	3.6
153.01840	100.0
153.02838	4.4
154.02133	4.0
163.03879	1.3
165.05510	0.8
168.06570	3.9
171.02795	1.3
177.05511	0.7
183.02957	0.9
186.07622	3.9
204.08685	18.7
213.03984	1.0
225.04387	0.9
228.79012	0.8
237.04099	1.2
239.09476	1.0
249.11284	2.2
268.63629	0.6
279.05087	1.5
287.05539	2.7
288.05875	4.1
297.06049	2.7
417.40372	0.9
431.83047	0.8
449.07291	2.2
467.08350	4.7
624.19537	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	624.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99735	0.8
51.02377	1.5
53.03943	1.0
57.03429	3.0
64.40950	0.8
65.03935	2.6
68.25057	1.1
69.03425	2.0
73.02917	4.3
77.03514	0.9
77.03923	1.2
79.05518	1.6
81.03410	4.6
81.07067	1.3
85.02912	1.5
91.05483	20.6
92.05815	1.1
93.07042	9.7
94.04230	1.3
95.04943	1.9
97.02884	1.0
103.05487	8.5
105.04521	1.2
105.07018	2.2
107.04955	1.6
115.05421	1.4
117.03376	1.0
119.04953	31.5
121.06515	41.3
122.03663	2.3
122.06848	2.8
124.88079	0.9
131.04922	2.8
133.06491	1.9
137.02328	3.5
137.05984	43.0
137.07057	2.1
138.06400	1.0
138.09125	1.6
143.04929	2.5
145.02855	2.3
145.06468	1.1
147.04414	100.0
149.05997	2.5
151.03928	4.2
153.01826	1.5
158.03586	1.9
161.05945	4.4
162.06793	2.2
163.03900	1.2
163.07602	1.3
164.07076	1.3
165.05470	2.1
173.05995	4.9
175.03932	2.2
175.07553	1.7
177.05476	3.3
186.03119	3.7
187.07739	1.1
189.05518	2.2
191.08563	1.2
201.05461	28.8
202.05844	1.3
203.06995	1.5
205.06441	5.0
206.07213	3.2
213.05569	2.3
215.06914	1.2
217.06616	2.1
218.07442	1.0
219.08145	1.8
221.05841	1.1
222.06734	2.8
222.14600	1.0
225.04358	1.3
228.04193	2.2
230.61031	1.2
231.06499	2.8
233.06032	7.4
234.06764	7.8
235.07497	2.2
237.09096	4.7
239.07007	1.5
239.09375	1.5
245.05940	2.6
246.06732	1.5
247.07520	2.5
248.08194	1.0
249.09105	5.2
250.06297	3.5
251.07069	2.7
257.15961	0.9
259.07611	1.4
262.06216	8.2
263.06931	3.0
264.07797	2.3
265.08606	12.5
266.09216	2.0
267.06427	1.4
269.29266	1.0
271.37372	1.0
273.05457	2.9
274.04691	1.8
276.07794	1.3
277.05356	1.6
277.08563	13.4
278.05817	1.8
278.08997	1.3
279.06433	2.6
279.10141	2.4
282.08963	2.2
287.07080	1.1
290.05734	11.9
291.05945	1.7
291.08679	4.1
292.07220	7.0
293.08075	13.3
294.08710	2.9
295.09467	1.5
297.11148	2.4
301.03448	6.8
302.04211	26.4
305.08084	25.2
306.08725	1.3
307.06262	1.3
307.09607	19.1
309.11066	1.1
310.08221	2.3
317.06558	50.8
319.09610	3.0
322.08182	2.0
325.10709	45.6
337.10687	27.2
338.10831	2.0
339.12408	1.2
340.15283	1.2
355.11768	6.8
462.19138	47.0
463.19528	4.0
488.16669	1.4
492.20169	62.2
493.20361	5.3
504.14874	1.2
624.21149	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	624.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26789	0.4
53.03937	2.3
54.05893	0.4
55.01874	0.5
55.05495	1.3
56.08323	0.5
57.03444	0.9
57.76361	0.5
61.02919	0.5
61.93731	0.5
63.02349	0.5
67.05505	2.5
69.03444	2.8
69.12056	2.5
69.12486	0.6
71.04981	0.5
77.03923	0.6
79.05496	6.8
81.03425	5.5
81.07045	1.9
82.94868	0.5
83.04951	0.7
83.08640	0.6
85.02887	1.9
89.03927	4.3
91.05476	11.8
93.07047	27.0
94.07349	0.6
95.04974	3.9
95.08595	1.5
97.02888	1.7
98.22594	0.6
98.80389	0.5
99.04452	0.7
103.05462	6.2
105.04503	0.9
105.07032	7.4
106.04182	0.6
107.04948	0.8
107.08594	4.7
109.02866	1.2
109.06508	0.8
109.10148	0.7
116.06265	0.6
117.03383	18.0
117.07014	0.8
119.04942	0.9
119.08576	2.2
121.06508	49.9
121.10143	22.9
122.06813	1.4
122.10487	0.7
123.08035	0.9
127.03869	0.6
129.07033	0.7
131.04912	1.5
131.08565	2.3
133.06467	0.6
133.07590	1.1
133.10143	1.0
134.03621	0.5
135.04379	1.8
137.05930	1.0
138.09094	0.8
143.08560	0.6
145.02847	56.6
145.10095	1.2
146.03154	1.8
149.05989	5.5
149.09615	16.4
151.07544	0.5
163.03938	2.4
163.07520	1.3
164.07068	0.8
167.05490	0.6
167.10652	0.8
173.09584	0.6
173.11855	0.5
175.07550	0.5
175.11130	0.8
177.05470	100.0
178.05771	3.1
184.07214	0.6
186.05478	0.6
194.08145	1.3
201.05408	0.6
203.07042	0.6
225.04333	0.4
229.08571	0.7
239.09500	0.6
247.13290	1.3
293.13733	3.2
297.14905	0.6
300.09113	0.5
300.12247	0.8
311.14908	1.0
314.13861	88.4
315.14160	5.8
325.14456	1.5
337.02792	0.5
351.08472	1.4
427.26062	0.5
442.08786	0.5
462.23166	0.9
462.28970	0.7
624.34039	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	624.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03945	2.9
55.01870	1.0
55.05505	1.1
57.03412	0.7
57.46698	0.5
67.05497	2.4
68.66098	0.5
69.03423	2.7
69.07066	0.7
69.40464	0.6
77.37547	0.5
79.05494	7.6
80.79804	0.5
81.03427	5.3
81.07038	2.5
85.02888	1.8
89.03920	4.7
89.39996	0.5
91.05469	10.8
93.07048	23.0
95.04968	4.2
95.08582	1.5
97.02855	1.1
103.05476	6.8
105.04528	1.4
105.07042	6.5
107.04946	1.1
107.08619	2.6
109.02883	1.9
109.10155	1.0
115.89724	0.6
116.06252	0.7
117.02608	1.0
117.03388	17.4
117.07001	0.6
118.03683	0.8
119.08601	2.2
121.06512	49.8
121.10146	22.7
122.06868	1.5
123.08072	1.0
127.03921	0.8
129.06992	0.9
131.04939	0.7
131.08560	2.3
134.03606	1.7
135.04420	1.6
135.08116	0.6
138.09174	0.8
143.08606	0.8
145.02853	53.8
145.10124	1.7
146.03204	1.6
148.05244	0.7
149.06000	6.5
149.09631	15.0
150.10046	0.7
161.06133	0.7
162.03171	0.7
163.03906	1.5
163.07571	0.9
163.11252	0.6
167.05566	0.5
167.10657	0.5
169.06349	0.5
173.09634	1.1
175.07480	0.6
177.05478	100.0
178.05855	4.0
189.05458	0.7
196.05013	0.6
201.05640	0.7
247.13301	2.5
268.40393	0.6
293.13834	2.7
311.14853	1.0
314.13867	87.6
315.14166	4.5
318.89951	0.6
325.14389	1.6
351.08688	0.7
369.24307	0.6
388.26978	0.6
423.70169	0.6
427.27115	0.9
462.29272	1.3
624.33258	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	625.1554
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
50.01614	0.2
53.03948	0.5
64.46249	0.2
65.03931	1.7
69.03426	0.8
70.34510	0.5
71.04987	0.2
81.03076	0.1
81.03425	3.8
85.02914	1.0
91.05484	12.7
92.05814	0.4
93.07038	0.5
97.02907	0.2
97.92018	0.2
99.04484	0.3
103.05473	0.5
109.02876	1.2
110.03684	0.2
119.04949	27.7
119.13151	0.2
120.05264	0.8
121.06515	3.2
122.06812	0.2
127.03918	0.3
137.02336	0.9
137.05983	1.1
147.04414	100.0
148.04753	3.2
149.06070	0.2
151.03957	0.4
153.01869	0.6
163.03917	0.4
164.07054	0.3
165.05510	1.7
170.01991	0.2
173.06007	0.3
175.03893	0.3
191.06984	0.2
200.04707	0.3
201.05418	1.2
205.04831	0.2
205.06573	0.3
216.61211	0.2
222.06787	0.2
228.04248	1.1
229.05013	0.5
233.06033	0.3
234.06706	0.3
237.09149	0.3
245.04462	0.4
249.05356	0.3
249.07646	0.2
250.06299	0.3
256.03720	0.4
257.04462	0.7
265.08588	0.8
266.08826	0.2
273.03873	0.4
274.04700	2.1
285.03751	0.4
286.04749	0.2
290.05380	0.2
291.08649	5.1
292.07095	0.3
293.07993	0.4
301.03473	4.8
301.06921	0.4
302.04208	19.1
303.04572	1.1
307.09695	0.6
308.06924	0.2
308.10043	0.2
309.09683	1.0
317.06561	43.5
318.06934	2.7
323.09079	0.4
325.10733	2.2
326.11060	0.4
328.24606	0.2
338.10498	0.3
351.08545	1.1
364.11533	0.2
462.19336	1.1
463.19412	0.6
479.11880	0.5
492.19998	0.3
493.20477	0.7
597.22888	0.2
625.20282	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	625.178
Annotation	Rhamnazin 3-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.92107	0.2
55.83687	0.2
59.13143	0.2
60.91631	0.2
69.03392	0.5
69.13867	0.2
69.24693	1.5
70.06564	0.4
71.96143	0.2
78.67806	0.2
79.01810	0.8
85.02896	0.3
86.52007	0.3
95.19453	0.2
99.71270	0.2
104.89166	0.3
118.42858	0.3
121.83298	0.2
125.02358	0.5
127.03877	0.4
134.64578	0.2
135.59045	0.3
137.02324	0.8
139.58653	0.2
143.03339	0.6
144.03719	0.3
153.01831	13.6
153.02902	0.5
154.02170	4.3
155.02306	0.3
155.54503	0.3
177.05356	0.3
186.06766	1.2
196.05104	0.4
197.05919	0.3
203.03394	0.6
213.05406	0.9
214.06244	1.3
224.04689	0.4
237.03914	0.5
241.04854	0.6
242.05730	2.4
253.04982	0.7
269.04358	0.4
270.05228	30.5
271.05652	1.3
273.03922	0.6
281.04391	0.8
285.04056	0.6
286.04718	1.1
287.05502	3.6
297.03873	4.1
298.04706	11.9
299.05423	3.8
301.03433	0.5
302.04181	2.1
311.07654	0.3
315.01367	0.6
315.04993	10.8
316.05750	10.4
317.06137	0.6
331.08109	100.0
332.08447	5.7
449.07114	0.5
450.07242	0.7
450.49146	0.3
468.08624	0.4
493.13416	73.6
494.13745	6.2
625.17706	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	625.2546
Annotation	(+-)-Grossamide
Peak:m/z	Relative Intensity
51.02365	0.4
53.03920	1.0
55.01847	1.0
62.78955	0.4
67.05500	0.4
71.04972	0.7
79.05504	0.4
81.07038	0.4
91.04967	0.5
91.05483	7.0
93.07057	5.8
95.04991	1.7
96.96741	0.3
98.23466	0.7
103.04800	0.4
103.05463	5.8
105.04486	1.0
105.07019	0.6
107.04941	0.5
115.05474	2.3
117.06985	0.4
119.04948	2.1
120.09585	0.3
121.06510	37.4
122.03574	0.4
122.06829	1.0
123.04403	0.9
130.07498	0.3
131.04903	0.5
134.03589	0.7
135.04384	1.0
137.04976	0.6
137.05975	8.4
138.09142	6.1
143.04907	2.7
145.06450	1.2
146.05998	0.4
147.04382	1.1
149.06009	2.5
150.06714	1.1
151.03885	1.5
152.07094	0.5
158.03633	1.7
160.05167	0.8
161.05948	0.6
164.07085	3.6
165.07051	0.8
171.04390	0.4
173.05984	3.3
175.03926	2.7
175.07556	1.7
176.06256	0.9
177.05592	0.6
177.06990	2.5
178.07677	0.8
185.02399	0.4
186.03140	7.6
188.04700	0.4
189.05373	0.5
189.06946	0.5
191.06981	0.4
191.08592	0.8
193.06476	0.5
194.07265	2.6
195.07935	0.6
200.04639	0.5
201.05450	16.0
202.05849	0.5
203.07016	1.1
203.08685	0.7
204.05705	1.5
205.06499	11.4
206.07050	1.4
207.06419	0.5
207.08049	1.2
208.05174	0.5
209.05916	0.5
209.09561	0.7
211.03867	0.4
211.07439	0.5
212.04893	0.4
217.06569	1.0
219.08125	1.6
220.05211	0.8
221.05930	3.2
222.06764	7.3
223.07420	1.2
224.08260	0.5
224.11198	0.3
225.09035	0.4
227.07031	1.0
231.08116	0.4
232.05197	0.5
233.05974	14.2
234.06657	3.7
235.07535	2.0
236.04585	0.5
236.08293	0.7
237.05470	1.1
237.09087	7.2
238.06221	0.4
238.09506	0.7
239.07068	1.7
245.06197	0.4
247.07536	4.1
248.04758	1.1
248.08183	0.9
249.05476	3.9
249.09010	0.6
250.06255	10.7
251.06964	3.0
252.07750	0.8
253.04980	0.4
253.08580	0.7
254.05670	0.7
254.09431	0.8
261.05457	2.1
262.06265	0.7
263.06967	1.9
264.07822	6.2
265.05042	3.7
265.08594	19.3
266.05957	0.4
266.09161	2.7
267.06592	2.4
267.09528	0.6
268.07263	0.4
269.11649	0.5
272.12814	1.1
275.06964	1.1
276.04144	1.2
276.07266	0.3
277.04935	4.0
277.08234	0.6
278.05746	6.5
279.06433	1.6
279.10199	2.6
280.07355	2.3
281.07965	0.7
282.08786	2.5
283.09723	0.5
284.10361	0.5
290.05508	0.4
291.06540	1.7
292.07294	20.0
293.04483	4.0
293.07980	21.7
294.05066	0.6
294.08539	2.5
295.05975	1.7
295.09375	0.7
297.11191	3.3
299.12744	2.1
304.03653	1.3
307.09637	38.2
308.06799	16.2
308.09985	2.0
309.07187	1.6
310.08322	3.3
319.05948	2.0
320.06567	0.6
321.03983	0.5
323.09155	11.5
324.09543	0.9
325.10699	100.0
326.11053	7.4
336.06317	3.8
337.06366	0.4
351.08630	53.8
352.08951	4.4
462.19119	29.0
463.19455	3.5
488.16995	1.8
625.24860	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	625.2546
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02367	0.6
53.03954	2.6
53.95009	0.3
55.76834	0.4
56.18291	0.4
69.21290	2.8
76.70047	0.4
77.03915	0.7
79.05494	0.4
91.05482	11.0
92.05784	0.4
93.07050	15.4
95.04974	3.1
96.84602	0.5
103.05475	11.5
103.98956	0.4
105.04502	1.5
109.53453	0.4
114.48794	0.4
119.04990	0.5
121.06512	100.0
123.04408	0.4
125.06012	0.5
130.04187	0.5
132.49864	0.3
135.04504	0.6
139.03883	0.4
141.03357	3.2
145.06529	0.6
146.05971	0.9
147.04442	0.5
149.05980	0.7
151.67975	0.4
164.07076	5.7
173.05939	1.0
186.03040	0.6
191.07030	3.7
194.07262	0.9
201.05386	78.9
202.05794	4.1
205.06482	3.4
211.07558	1.1
219.08104	1.6
220.05211	3.2
221.05956	1.5
222.06728	2.5
226.04921	0.6
233.06027	2.4
234.06725	3.0
235.07547	10.4
236.07970	0.8
237.05473	0.6
237.09094	11.6
238.09473	0.6
239.07002	1.4
244.06020	2.1
247.07622	2.8
248.04651	3.1
249.05475	4.1
250.06288	4.2
251.07004	0.8
252.07608	0.6
263.07034	13.3
264.07608	2.2
265.05099	2.5
265.08609	27.1
266.08981	2.2
267.06461	1.7
276.04187	0.6
279.10254	0.8
280.07288	5.4
281.08038	0.5
282.08871	38.9
283.09158	2.1
291.06516	20.0
292.06845	1.5
295.09677	1.3
297.11215	16.5
298.11438	1.8
308.06882	2.6
313.10776	2.4
323.09143	53.5
324.09543	4.3
327.08786	0.8
340.11942	1.1
364.11795	15.5
365.12177	0.9
438.33688	0.4
460.17554	59.2
461.17877	6.6
488.17050	70.0
489.17358	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	625.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
68.19949	0.9
70.55930	2.0
91.05469	5.7
93.07039	4.3
95.04990	1.5
103.05466	3.4
115.05423	1.6
119.04971	2.3
121.06513	35.4
121.07366	1.9
122.06817	1.2
134.03621	1.1
137.05972	7.8
138.06416	0.8
138.09167	3.6
143.04942	3.3
145.06476	0.9
145.41069	0.8
147.04433	2.2
149.05966	2.3
150.06737	1.4
158.03616	1.4
164.07172	1.3
168.94659	0.8
173.05974	4.5
175.03947	2.4
175.07486	2.1
177.07007	2.6
186.03160	6.4
194.07280	2.8
201.05460	17.5
202.05913	1.0
203.06909	1.4
203.08662	0.9
205.06505	12.8
208.05260	1.0
219.08041	2.3
220.05142	1.2
221.06058	2.1
221.09424	1.0
222.06761	7.5
227.06917	1.1
233.05988	11.8
234.06708	4.4
235.07501	1.3
236.04642	1.0
237.05550	1.4
237.09119	9.4
239.07011	2.5
241.08447	0.9
247.07629	3.4
248.04752	1.4
248.08167	1.3
249.05482	3.8
249.09209	0.9
250.06273	12.7
251.07043	2.5
252.07727	1.8
261.05463	2.8
263.07010	2.1
264.07806	6.5
265.05066	3.2
265.08612	20.1
266.09183	1.8
267.06546	3.2
272.12970	1.2
275.07172	2.0
276.04263	1.3
277.04901	3.3
278.05716	6.3
279.06546	2.3
279.10233	2.8
280.07388	2.2
282.08914	2.1
291.06491	1.8
292.07312	19.5
293.04553	4.7
293.08072	21.8
294.08411	1.5
295.06189	2.1
297.11249	3.6
304.03848	1.3
307.09659	34.2
308.06845	15.6
308.10052	2.4
309.07269	1.7
310.08533	2.0
319.05988	2.2
323.09146	10.2
324.09265	1.2
325.10706	100.0
326.11075	5.5
336.06049	4.3
351.08655	37.8
352.08969	2.6
462.19141	40.0
463.19455	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	625.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95652	1.2
53.03949	2.1
53.38015	1.1
55.01873	3.3
55.05512	18.7
55.36815	1.1
56.95002	1.1
57.03426	3.0
57.07056	2.9
65.03927	2.3
67.05507	30.0
69.07082	9.2
71.04993	2.3
72.89030	1.1
74.22093	1.3
76.20438	1.4
79.05493	27.1
81.03408	2.3
81.07059	27.8
83.04991	3.0
83.08614	9.5
85.06544	2.4
91.05479	16.5
93.07044	18.1
95.04967	5.1
95.08607	16.4
97.06546	2.4
97.10165	15.2
98.23392	4.3
98.98464	15.9
99.08109	1.3
105.07030	18.3
107.04956	2.8
107.08601	14.8
109.06536	2.5
109.10153	9.1
111.08092	2.3
117.07043	9.5
119.08595	15.7
121.06494	3.6
121.10099	6.9
123.08073	3.3
123.11664	1.5
125.09628	10.4
128.06248	1.9
129.06990	6.6
131.08580	14.9
133.06490	1.8
133.10112	9.7
135.08095	3.1
135.11694	2.9
141.07047	1.8
143.08572	8.5
145.06520	2.7
145.10139	11.9
147.08028	3.6
147.11684	5.7
149.09689	3.0
149.13159	1.2
151.11191	1.4
153.09071	6.4
155.01064	3.9
155.08540	4.4
157.06444	1.6
157.10126	5.8
159.08034	3.2
159.11711	5.8
161.13304	3.2
167.08566	2.0
169.10156	3.5
171.11723	3.1
173.11859	1.5
173.13284	4.6
175.14822	3.2
181.10136	2.3
183.11740	3.5
185.13306	3.7
187.11259	1.9
187.14774	2.6
189.11253	4.6
195.11687	2.3
197.13287	2.0
199.14906	3.7
201.16457	1.9
209.13185	2.6
211.14806	2.6
221.13397	1.6
223.14766	1.6
225.16353	2.3
227.12704	3.5
229.67824	1.6
237.16452	1.4
285.22119	2.7
299.23752	2.1
301.25195	13.9
317.24640	1.5
327.23282	1.8
341.24716	3.5
376.64542	1.3
435.32590	7.6
445.25256	1.6
453.33691	12.9
471.34564	13.0
472.35101	1.9
509.36237	6.3
527.37305	100.0
528.37665	12.7
545.37793	1.8
607.33643	2.7
625.35089	15.4
625.44916	2.5
626.36145	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	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.4
55.01870	11.7
55.05272	5.0
55.05515	52.9
56.36877	2.7
57.03445	16.5
57.07086	4.7
65.03941	6.6
67.05508	93.6
69.03431	5.1
69.07070	40.6
71.04990	11.8
74.01311	3.3
75.33975	3.1
77.03924	3.1
79.05067	6.0
79.05497	71.8
81.03416	14.9
81.07066	100.0
82.07384	3.4
83.04994	16.7
83.08625	26.4
85.02927	4.3
85.06540	3.9
91.05483	90.4
93.07046	74.8
95.04987	16.7
95.08613	59.5
96.84486	3.2
97.02909	3.5
97.06557	18.8
97.10180	10.3
99.08071	5.5
105.07032	77.8
107.04949	8.1
107.08593	40.1
108.05339	3.4
109.02955	2.8
109.06540	11.5
109.10151	32.4
111.08138	6.8
115.05479	3.6
117.07031	40.1
119.08583	54.3
121.06500	9.4
121.10160	29.9
123.07990	3.5
123.11689	13.8
125.09616	10.5
128.06258	5.5
129.07037	27.9
131.08574	47.6
133.06532	5.3
133.10146	35.5
135.08087	6.9
135.11678	15.4
139.11247	3.5
141.07018	11.3
142.07811	7.3
143.08557	33.8
145.10129	40.2
147.11674	20.2
149.09641	13.8
149.13286	8.6
155.08582	17.0
157.10132	33.5
159.08061	5.0
159.11688	30.4
161.09669	4.9
161.13292	13.0
163.11252	4.5
165.07039	4.8
167.08632	7.8
169.10114	23.1
171.11723	20.4
173.09683	3.9
173.11816	5.1
173.13185	15.8
175.11226	3.6
175.14862	4.1
177.12715	3.1
179.08620	4.5
181.10182	12.1
183.11710	21.3
185.13216	15.5
187.14861	9.5
189.11172	4.5
193.10121	4.7
195.11731	14.0
197.13284	16.1
199.11211	2.9
199.14845	10.2
201.12842	3.0
201.16411	7.2
207.11749	6.9
209.13266	8.3
211.14874	11.8
213.16498	6.8
221.13257	3.8
223.14935	6.7
225.16426	8.7
227.18057	4.0
235.14919	4.9
237.16481	3.1
239.17960	6.1
241.19531	3.8
257.19028	6.0
259.20596	5.8
267.16031	6.8
269.17401	3.3
275.20129	18.0
325.25299	4.1
333.24139	5.8
335.23611	4.8
344.05270	3.1
349.23874	5.4
353.24829	13.0
363.26752	3.9
365.28345	4.7
371.25729	14.4
389.26941	13.6
445.29495	89.9
446.29883	7.2
463.30685	41.8
464.30939	5.1
513.35876	20.2
515.38745	3.7
527.37476	6.7
533.39667	9.3
551.40967	7.9
606.67578	3.5
607.34357	5.1
607.43579	48.5
625.36505	4.4
625.44617	89.9
626.44708	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20844	1.9
53.03948	11.0
55.01878	25.8
55.05515	44.2
57.03443	14.4
57.07072	2.0
65.03947	4.7
67.05505	80.3
68.41627	1.7
68.72717	1.5
69.03452	4.3
69.07070	62.7
71.05006	5.2
77.03929	2.3
77.09995	1.7
79.05492	74.1
81.03424	7.8
81.07057	98.1
82.07388	2.7
83.04990	10.5
83.08630	17.9
85.06552	5.6
87.92912	1.8
91.05483	78.4
92.05822	2.1
93.07048	71.7
94.07372	1.8
95.01371	2.3
95.04982	15.9
95.08607	58.2
97.06533	32.2
97.10188	7.0
99.08080	3.8
103.03961	2.2
103.05500	2.8
105.04533	2.2
105.07036	80.4
106.07390	2.0
107.04945	13.7
107.08598	39.0
107.09286	2.7
109.06521	12.1
109.10162	25.8
111.04449	1.8
111.08094	6.5
115.05486	4.7
117.07027	29.9
119.08579	57.4
121.06524	7.7
121.10146	27.1
122.10543	2.0
123.08088	7.7
123.11734	4.9
125.09634	6.5
128.06270	6.5
129.07028	21.7
130.07768	3.5
131.08566	48.0
133.06500	5.0
133.10130	41.5
133.11060	2.8
134.10516	2.3
135.08061	7.4
135.11694	14.1
137.09605	3.4
137.13261	2.8
139.11182	3.7
141.07010	7.9
142.07835	4.9
143.08559	31.6
145.06531	4.7
145.10129	42.6
147.08073	7.1
147.11690	29.7
149.09639	11.2
149.13254	11.0
151.11226	4.3
154.07791	3.2
155.08559	14.7
156.09322	4.7
157.10127	26.5
158.10573	2.5
159.08041	2.8
159.11714	23.1
161.09659	6.1
161.13246	18.4
163.11176	8.6
165.07027	2.0
165.09161	2.4
165.12787	4.2
167.08572	6.5
168.09340	3.1
169.10110	20.0
170.10904	2.0
171.08101	2.0
171.11697	28.9
173.13257	21.5
175.11272	5.2
175.14812	8.6
177.12791	4.8
179.08679	2.5
179.14365	5.1
181.10100	10.1
183.11668	15.4
185.09663	3.8
185.13266	16.3
187.11237	3.4
187.14862	6.9
189.12752	3.0
191.14388	2.6
193.10161	3.3
195.11667	11.0
197.13306	9.4
199.11282	2.6
199.14877	11.5
201.16397	4.1
205.10130	2.1
207.11714	3.3
209.13319	9.5
211.14784	8.2
213.12849	2.2
213.16403	4.1
215.18079	2.9
217.19395	1.8
221.13310	3.3
222.46600	1.7
223.14911	6.6
225.16513	4.4
227.18004	4.2
229.19537	2.1
231.17444	2.6
235.14798	2.9
237.16396	3.9
239.17952	4.0
241.19543	12.1
243.21059	2.0
245.19136	2.3
249.16591	2.8
251.18037	2.2
253.19649	2.6
257.19061	7.7
259.20621	16.0
263.20139	3.2
265.19556	3.5
273.18579	12.6
274.19083	2.0
275.20062	31.4
276.20453	3.0
277.21744	3.7
279.20914	2.0
283.20578	2.1
284.20932	1.7
289.21591	3.9
291.19467	9.1
297.22183	4.9
315.23309	6.1
333.24307	14.4
335.26224	4.5
347.22809	2.5
349.23700	21.0
367.26443	2.1
380.25446	2.3
403.29391	1.9
407.29492	2.0
419.33411	3.0
421.31155	3.9
427.67099	1.8
435.32809	4.3
437.34326	8.6
463.32297	2.5
497.36539	2.6
504.36987	2.0
509.36853	2.3
511.37717	5.6
513.35608	10.8
515.38684	5.2
527.37433	7.3
528.38531	2.0
529.38947	5.5
533.39954	11.2
534.40912	2.1
551.41052	10.1
555.37335	3.0
556.37659	2.8
570.99164	3.3
589.43616	2.4
597.45758	2.0
607.43530	49.1
608.43817	4.1
625.44617	100.0
626.45050	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.0
55.01873	30.7
55.05519	35.1
57.03433	9.4
67.05508	73.5
69.07062	43.8
71.05018	6.9
79.05499	76.8
81.03413	10.9
81.07056	100.0
83.05003	8.6
83.08627	20.6
91.05485	77.3
93.07037	62.4
95.04976	20.1
95.08611	56.2
96.30636	5.1
97.06557	25.2
97.10133	6.3
98.23462	9.6
99.08107	5.0
105.07032	53.8
107.04987	12.0
107.08579	36.4
109.06530	32.0
109.10159	20.1
111.08077	5.7
117.07063	28.8
119.08604	46.5
121.10156	23.5
123.08102	6.5
123.65231	5.9
125.09634	5.5
129.07002	21.7
131.08551	36.8
133.10123	30.9
135.07986	9.5
135.11723	18.6
141.06972	10.4
143.08557	14.8
145.10101	28.6
147.11694	23.8
155.08565	15.1
157.10175	25.4
159.11708	16.7
161.13292	9.9
163.11122	8.4
169.10153	15.7
171.11697	14.9
173.13239	12.7
175.14809	8.0
181.10130	7.7
183.11685	12.6
185.13214	19.0
197.13281	8.5
198.61261	5.3
209.11230	5.5
209.13257	6.5
241.19585	14.2
245.89737	5.9
259.20511	14.9
273.18616	12.7
275.20200	29.8
291.19568	12.5
293.21042	6.8
318.24298	5.4
333.24323	6.9
335.26013	8.2
349.23740	10.9
368.67166	5.1
402.21487	6.1
437.34482	6.3
505.40045	9.0
520.41254	5.4
527.37231	14.6
533.39880	9.8
543.98291	5.4
551.40894	8.2
607.43439	33.7
625.44751	51.1
651.22919	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
54.98006	3.5
55.01880	31.7
55.05516	42.6
56.68500	3.2
57.03440	9.9
57.07071	6.9
65.03925	4.0
67.05505	83.0
69.07069	70.9
71.04966	6.9
71.08633	7.3
79.05494	66.2
80.05838	3.6
81.03427	25.3
81.07059	100.0
83.04982	9.8
83.08627	26.9
91.04900	5.3
91.05479	76.4
93.07045	77.1
95.04975	23.4
95.08614	59.8
97.06529	41.3
97.10161	14.0
98.23371	9.3
98.98489	8.9
99.08134	5.1
105.04536	3.9
105.06378	6.2
105.07031	74.8
107.04945	15.9
107.08601	37.6
109.06516	12.9
109.10170	26.4
111.08050	6.9
115.05464	6.1
117.07011	20.2
119.08585	54.8
121.03078	3.7
121.06599	7.5
121.10155	27.7
123.08041	6.3
123.11749	7.7
125.09637	10.8
128.06171	8.6
129.06981	21.5
131.08556	53.9
133.06554	4.5
133.10138	39.7
135.08064	9.8
135.11687	18.8
137.09624	6.6
137.13116	3.5
141.06976	6.8
143.08571	28.0
145.06483	5.0
145.10127	41.3
147.08028	7.7
147.11688	30.7
149.09604	11.2
149.13231	14.3
155.08615	18.8
157.10114	26.2
159.08020	4.7
159.11682	33.2
161.13268	23.5
163.11244	9.9
165.12770	6.9
167.08556	5.7
169.10149	17.2
171.11696	27.5
173.13264	25.4
175.11200	4.8
175.14825	8.5
177.12752	7.7
179.14288	9.3
181.10020	7.7
183.11693	11.9
185.09630	6.4
185.13257	22.7
187.11192	4.2
187.14798	10.4
189.11192	5.8
193.12184	4.8
195.11691	8.1
197.13242	11.3
199.14810	12.2
201.12798	5.7
201.16287	3.6
209.13374	6.2
211.14818	9.9
213.16382	6.8
223.14783	5.7
239.17889	3.8
241.19577	16.9
255.17491	4.9
257.19043	9.5
259.20584	17.2
267.15817	4.5
273.18494	12.7
275.20059	42.1
277.21567	8.5
291.19583	9.6
301.24854	5.0
315.23111	4.8
333.24161	14.5
335.25848	5.9
347.22141	4.4
349.23697	21.9
350.24191	3.9
358.59860	3.7
428.80725	4.5
435.32565	9.3
437.34122	12.1
453.33432	5.4
471.34467	10.6
509.36273	8.1
511.37701	9.9
513.35431	5.6
515.38617	5.2
527.37225	71.2
528.37714	7.9
533.39343	8.5
551.40570	8.0
607.34705	5.4
607.43604	51.1
625.44580	82.8
626.44830	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.3
55.01873	8.6
55.05513	35.2
57.03439	8.0
57.07071	4.3
60.33845	1.0
65.03934	5.1
66.04714	1.4
67.05508	67.2
68.05834	1.5
68.97849	8.8
69.03426	2.6
69.07072	33.6
71.04990	5.1
71.08633	1.6
72.08941	1.0
77.03918	1.0
79.05497	62.4
80.05846	1.2
81.03420	5.5
81.07059	100.0
82.07398	2.8
83.04985	7.0
83.08620	17.5
85.06525	4.8
91.05482	68.8
91.54064	1.0
92.05804	1.2
93.07047	53.9
93.40542	1.0
94.07382	1.3
95.04975	13.3
95.08611	46.5
97.06533	13.6
97.10166	6.8
99.08090	2.7
103.05457	3.4
105.04557	2.5
105.07036	66.6
106.07392	2.8
107.04970	7.0
107.08598	29.9
109.06530	17.2
109.10157	17.8
111.08068	5.5
113.09692	1.3
115.05456	3.8
116.06232	1.6
117.07021	26.5
119.08583	50.3
120.08913	1.7
121.06528	5.8
121.10149	25.5
123.08086	8.9
123.11705	9.3
125.09647	2.8
128.06244	4.0
129.06999	15.5
130.07835	1.9
131.08577	36.7
132.07823	1.0
132.08897	1.1
133.06505	2.8
133.10132	36.2
135.08075	6.1
135.11694	13.1
137.09653	3.6
137.13338	1.6
139.11162	3.0
141.06955	5.6
142.07787	2.7
143.08559	19.4
144.09395	1.0
145.06462	2.9
145.10130	35.4
146.10805	1.1
147.08080	3.5
147.11682	31.7
148.12047	2.1
149.09605	9.3
149.13242	9.2
151.11226	2.9
153.07088	1.5
154.07742	1.8
155.08559	10.8
157.06552	1.5
157.10129	18.2
159.08115	3.3
159.11681	23.3
160.12065	1.0
161.09647	3.6
161.13275	10.1
163.11165	5.0
163.14818	2.5
165.12798	4.6
167.08582	5.3
169.10144	10.5
170.10684	1.1
171.08093	2.3
171.11668	16.3
173.09659	2.8
173.13271	16.1
175.11241	4.4
175.14899	5.3
177.12749	3.1
179.08641	1.7
179.14383	1.4
181.10167	5.6
181.12257	1.0
183.11716	9.6
184.12216	1.3
185.09705	2.3
185.13272	12.5
187.11250	3.8
187.14854	6.8
189.12801	1.7
189.16435	1.8
191.14362	1.5
192.48639	1.1
193.10226	2.4
195.11691	8.2
197.09607	2.2
197.13287	8.7
199.11229	3.6
199.14812	7.2
201.12747	1.8
201.16418	2.5
203.14319	1.6
207.11774	1.7
207.13818	1.6
208.12437	1.2
209.13263	6.3
211.11377	1.7
211.14865	4.5
213.12856	2.0
213.16388	4.8
215.14354	2.5
215.18044	2.4
217.15964	1.4
219.11826	1.6
219.17398	1.5
221.13248	2.1
223.14879	4.5
225.16446	2.5
227.18074	1.5
229.16034	1.6
229.19566	2.0
231.17525	1.8
231.21077	1.7
233.13249	1.3
235.14900	2.3
237.16379	3.6
239.14352	1.4
239.18059	4.1
241.15939	1.5
241.19629	7.6
245.19058	1.0
247.14955	1.3
247.20602	2.0
249.16592	1.3
251.14319	1.4
253.15691	1.2
253.19812	1.3
255.17427	1.4
257.19016	6.9
259.20569	19.1
261.22311	1.3
267.15903	5.5
273.18604	3.9
275.20056	28.2
276.20432	1.7
277.21875	2.3
291.19824	1.8
293.21249	4.0
297.22208	1.7
299.19901	1.3
309.22269	1.3
312.71927	1.2
313.21777	1.9
315.23169	8.5
325.21796	1.6
325.25235	1.3
331.22867	2.9
333.24359	5.9
339.23148	1.3
339.26999	1.5
341.24768	1.9
341.28519	3.5
347.22186	1.4
349.23636	9.8
367.25293	3.0
395.29453	1.4
397.31113	1.2
407.29565	2.5
421.31509	1.4
423.32617	1.3
437.34064	1.2
439.57120	1.1
441.30026	1.3
453.33228	1.2
497.36957	2.2
501.35751	1.4
505.40088	1.8
513.35815	2.4
515.38477	5.7
527.37415	1.7
533.39789	14.0
534.40552	1.6
534.66986	1.1
539.37427	1.3
551.41022	13.2
555.36884	2.3
556.37292	1.6
589.42944	1.4
597.45392	2.1
607.43567	41.4
608.43457	5.8
619.84186	1.1
624.11749	1.1
624.47241	1.2
625.44580	82.2
626.45032	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.0
51.02389	2.1
53.03956	5.7
55.01877	11.2
55.05514	50.8
57.03440	8.1
57.07077	3.5
59.04988	1.1
65.03953	4.2
66.62991	1.0
67.05508	62.7
68.05864	1.3
69.03440	2.1
69.07070	29.5
70.08963	0.9
71.04996	4.7
71.08620	1.0
72.80946	0.9
77.03928	1.8
79.05495	59.9
81.03400	5.6
81.07060	100.0
82.07384	2.5
83.04986	8.1
83.08621	29.2
83.54292	1.0
85.02932	1.3
85.06541	5.0
85.10184	1.2
91.05485	56.9
93.07048	50.9
94.13976	1.0
95.04973	18.1
95.08609	43.8
97.06544	9.8
97.10186	6.1
99.08096	4.2
103.05479	1.3
105.04553	2.1
105.07034	53.3
106.07372	1.1
107.04963	11.4
107.08599	29.2
107.09287	1.9
109.06528	20.2
109.10157	18.2
111.04490	1.9
111.08098	6.1
113.09683	3.0
115.05453	3.0
117.07018	21.6
119.08589	41.6
120.08884	2.0
121.06505	5.4
121.10147	24.7
123.04457	1.4
123.08060	7.5
123.11701	5.2
125.09657	4.9
127.07578	1.3
128.06224	5.6
129.07025	15.4
130.07756	1.5
131.08572	33.4
133.06512	3.0
133.10127	28.8
134.10475	1.1
135.07188	1.0
135.08052	6.2
135.11711	13.6
137.09641	4.1
139.11237	2.2
141.07004	4.7
142.07855	3.1
143.08563	17.8
145.06522	3.8
145.10121	34.7
146.10492	1.2
147.08067	5.3
147.11711	20.7
149.09627	7.9
149.13263	8.0
151.11212	2.2
153.07001	1.7
153.09169	1.5
153.12807	1.4
155.08565	6.2
157.10124	18.1
159.08102	2.3
159.11696	22.9
161.09648	6.0
161.13254	9.9
163.11200	6.3
163.14864	2.7
165.07098	1.3
165.09175	1.3
165.12810	4.8
167.08617	3.1
169.10101	10.9
170.10915	1.4
171.11696	15.0
171.13065	1.2
173.09636	2.6
173.13243	15.9
175.11243	3.7
175.14839	6.0
176.86330	1.1
177.12804	2.3
177.16429	1.1
181.10117	7.1
183.11703	11.6
184.12437	1.3
185.11768	1.9
185.13271	12.2
187.11234	3.1
187.14810	7.7
189.11334	2.7
189.12860	1.6
189.16426	1.2
193.10272	2.6
193.12244	3.0
195.11736	7.9
197.13313	10.1
199.11221	2.0
199.13203	1.3
199.14771	6.6
201.12852	2.5
201.16432	2.7
205.12199	1.3
207.11790	2.2
209.13231	5.8
211.14749	6.3
213.16470	4.4
215.14485	1.5
215.17978	2.7
217.19452	1.6
219.17506	1.8
220.12465	1.2
221.13303	3.4
223.14848	3.5
223.16908	1.1
225.16414	3.5
227.12688	1.6
227.18144	2.9
229.16141	1.4
229.19598	2.6
231.17398	1.7
231.21187	1.3
235.14835	2.6
237.16418	3.4
239.17986	4.3
241.19580	9.0
245.19028	2.6
247.20622	2.7
251.18018	1.5
253.19739	1.6
255.17500	1.6
257.18964	5.6
259.20578	14.1
261.22284	2.7
267.16046	3.6
271.20480	1.2
273.18530	18.9
275.20044	30.0
275.22958	1.5
276.20587	1.9
277.21698	3.0
283.20639	2.2
291.19559	13.6
293.21191	1.7
295.20456	1.2
297.22162	2.0
307.20551	1.3
315.23175	3.3
331.22672	1.4
333.24265	10.5
335.26111	6.7
339.23190	1.7
339.26843	1.6
341.24860	1.6
341.28500	4.8
347.22153	5.4
349.23685	13.3
353.24838	1.9
377.28323	1.6
407.29019	1.9
421.30960	2.2
423.32697	5.7
441.33292	1.2
479.35364	1.3
495.34616	1.4
497.36926	6.2
499.34219	7.9
500.34326	1.2
505.30460	1.1
511.37799	1.4
513.35663	2.9
515.38580	5.9
527.37598	1.3
533.39880	7.1
548.19446	1.1
551.40839	4.1
555.36554	1.6
589.42688	1.3
597.44165	1.4
607.43549	36.5
608.44244	3.6
625.28986	4.7
625.44580	86.9
626.44916	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29769	1.2
53.03957	7.3
55.01879	8.4
55.05517	67.5
57.03442	11.4
57.07067	2.7
59.05004	1.8
65.03942	5.0
67.05510	53.4
69.06720	2.8
69.07072	25.7
69.46270	7.6
71.05003	2.7
71.18478	1.7
71.38726	1.4
73.27645	1.4
77.03968	1.2
79.05502	50.4
79.69024	1.3
80.98827	1.3
81.03440	3.1
81.06587	2.9
81.07064	54.6
81.07528	3.4
83.04987	8.3
83.08624	40.9
85.06528	2.3
91.05488	50.3
93.07048	41.9
95.04980	24.0
95.08613	35.7
97.06548	5.5
97.10175	10.1
99.04462	1.6
99.08112	2.2
103.05470	2.6
105.04536	3.5
105.07040	53.5
106.42977	1.4
107.04948	11.4
107.08599	26.1
109.06550	5.9
109.10168	15.8
111.08095	6.1
117.07020	24.0
119.08597	39.9
120.74501	1.4
121.06551	6.5
121.10159	15.4
123.08101	4.7
123.11740	4.2
125.09604	7.7
128.06247	6.3
129.07019	13.9
130.07823	2.0
131.08578	27.8
131.09515	2.3
133.10146	22.9
134.10431	1.6
135.08072	4.0
135.11719	11.3
137.09694	1.9
139.11205	1.9
141.07048	6.1
142.07808	4.5
143.08574	18.7
145.06450	2.1
145.10126	25.3
147.08092	3.7
147.11705	18.3
149.09654	7.9
149.13304	5.5
153.07005	2.0
154.07814	1.7
155.08542	8.8
157.10153	18.2
159.08116	2.6
159.11700	22.3
161.09660	3.4
161.13243	11.7
163.11194	14.4
163.14970	2.3
165.06944	1.8
167.08632	4.5
168.09303	2.7
169.10136	11.9
170.10905	1.6
171.11696	17.8
173.09712	3.4
173.11920	2.4
173.13222	9.8
175.11244	2.1
175.14911	4.7
177.12852	3.3
179.08600	2.2
181.10104	7.6
182.11021	1.9
183.11743	10.8
184.12221	1.6
185.09866	1.5
185.11810	3.0
185.13344	11.4
187.14903	5.4
189.11227	4.3
193.10182	2.3
195.11765	6.9
197.13277	8.9
199.14893	9.7
201.12778	1.7
201.16429	2.4
203.14526	1.8
205.12216	1.7
207.11774	3.4
207.13817	1.6
209.13367	6.2
211.14903	3.4
213.16423	4.4
215.14423	1.6
221.13380	2.1
223.13272	6.6
223.15094	2.8
225.16417	2.6
231.20987	1.9
237.16484	2.9
239.18047	3.9
241.19551	8.3
245.19083	2.7
247.20700	2.3
257.19061	6.3
259.20633	18.0
261.22241	2.7
265.19620	1.9
269.19144	1.8
273.18616	7.7
274.14795	1.7
275.20056	19.8
277.21805	2.2
293.21246	5.1
297.22067	3.0
315.23297	5.0
333.24313	9.6
339.23367	1.6
341.24881	2.7
349.23697	16.5
381.31659	2.2
388.88501	1.5
407.29587	4.3
421.31299	2.8
423.32712	5.9
445.31177	1.9
481.33163	2.5
497.36465	5.5
499.33957	16.5
500.34619	2.2
513.35767	3.4
515.38367	5.3
533.39911	7.4
551.41016	5.0
555.36810	4.7
607.43829	20.4
608.44031	4.0
625.44647	100.0
626.45123	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	627.134
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
53.03950	0.5
54.25597	0.5
63.02380	0.8
65.07334	0.3
69.03416	0.3
70.06606	0.5
71.29903	0.5
72.08154	0.4
79.05486	0.9
79.57635	0.3
81.03410	0.7
81.07075	0.4
81.19995	0.3
85.02874	0.4
89.03920	6.5
95.04984	0.4
107.04971	2.2
109.02818	0.3
111.00810	0.4
117.03384	7.4
118.41135	0.3
118.50323	0.3
121.02856	0.3
121.25459	0.3
129.07117	0.3
135.04417	15.9
137.02376	1.9
145.02844	12.5
145.03987	0.7
146.03227	0.4
147.04388	0.5
153.01860	2.3
163.03906	100.0
164.04242	3.3
165.01846	1.1
168.20427	0.3
181.05003	0.5
183.02882	0.6
195.02855	0.4
200.59395	0.3
201.05472	1.1
219.06444	0.4
229.04971	2.5
247.06088	0.7
257.04459	1.6
274.04721	0.6
285.03772	0.7
303.04999	47.2
304.05286	2.6
307.08072	0.5
315.04919	0.4
325.09167	4.7
345.06021	0.3
361.02524	0.3
403.50909	0.3
409.35974	0.4
627.02063	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	627.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03945	2.2
55.01870	2.1
58.56429	0.6
60.55645	0.6
65.03941	4.2
67.05495	2.2
68.25903	0.5
68.99805	0.5
69.03430	1.8
70.15347	1.8
71.01362	2.0
79.05507	4.5
81.03419	2.4
81.07056	1.3
82.04189	1.3
85.02911	2.8
91.05495	7.9
92.71333	0.5
93.03423	1.3
93.07047	9.3
94.04175	0.8
95.04967	5.3
95.08649	0.6
97.02920	1.1
101.62753	0.6
102.04706	1.2
103.05471	17.1
105.03409	3.8
105.04513	1.1
105.07039	4.2
107.04950	3.1
107.08598	1.9
108.02116	1.2
108.05683	0.5
109.02874	1.3
109.06504	2.6
110.03682	2.6
111.04475	1.5
115.05481	3.5
117.03436	0.9
117.07011	1.5
118.04169	3.6
119.04958	3.9
119.08643	0.7
120.05737	1.8
121.06532	3.7
121.10157	7.7
122.03642	1.5
122.06858	0.9
123.04406	5.0
125.06024	2.8
130.04131	1.1
131.04932	18.5
132.05711	1.5
133.02856	7.0
133.06525	4.2
134.03601	0.6
135.04420	1.7
135.08054	1.4
136.05220	1.2
137.02359	4.3
137.04976	1.0
137.05977	12.7
139.03969	0.7
140.04681	1.9
142.02596	1.0
143.04890	2.8
145.02844	1.8
145.06487	2.8
146.03590	2.2
147.04440	4.1
148.05202	10.4
149.06042	2.7
149.09618	4.2
150.03076	0.7
150.06703	0.6
151.03925	28.5
151.05025	2.2
151.07558	2.2
153.01854	2.4
153.05482	7.2
154.06219	1.1
155.07039	3.9
159.04437	1.1
160.05209	1.9
161.05977	3.8
162.06720	1.2
163.03987	1.2
163.07559	17.6
165.05475	11.1
166.06244	2.5
166.73366	0.7
167.07066	6.2
171.02951	0.6
171.06573	1.3
173.05966	3.5
175.03879	1.0
175.07530	3.2
176.04675	4.3
177.05499	6.9
179.03395	11.0
179.07056	1.3
180.07802	5.3
181.04970	48.1
182.05345	1.3
183.06493	0.6
186.03194	0.7
187.07552	1.1
189.05479	2.1
190.06314	0.9
191.07037	70.6
192.07390	2.1
193.04962	6.5
197.08038	2.3
201.05428	2.7
202.06172	0.8
203.07047	4.0
204.04112	0.7
205.06651	0.7
205.08607	1.1
207.06520	7.4
207.08295	0.8
208.07321	14.3
209.07979	2.7
211.07558	1.0
217.05025	1.5
217.08565	0.9
219.06493	3.1
221.08038	0.7
225.05637	0.8
225.07571	20.6
226.06180	1.0
226.08325	10.0
228.04199	2.5
229.04956	2.5
231.06493	1.1
233.08054	0.8
237.09085	1.2
241.08589	0.6
242.05846	0.7
245.04488	1.0
247.06065	1.9
247.09723	0.9
248.06718	0.7
249.07562	2.9
256.03641	0.6
257.04453	2.0
258.05212	1.9
259.05911	0.6
263.06952	1.0
265.08670	0.8
269.08200	0.9
271.09689	0.8
273.03955	1.0
274.04654	3.5
277.07132	3.8
281.08167	0.8
285.04044	1.0
286.04752	2.6
293.13757	1.3
295.09604	1.1
299.09079	5.1
301.03421	9.5
301.10919	0.9
302.04196	42.9
303.04688	2.7
307.09650	0.9
311.09155	0.7
314.04196	1.6
317.06564	100.0
318.06903	4.9
323.09006	0.7
329.06573	17.5
329.10135	0.6
330.06921	1.2
341.10324	1.2
343.08060	0.7
343.11938	1.0
351.08566	1.3
355.11685	1.1
369.09601	2.6
373.12637	0.8
383.11319	2.5
401.12335	3.2
402.13184	0.6
437.15845	0.7
465.15356	1.6
471.76199	0.7
615.63135	0.6
627.20947	1.0
627.30426	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	627.2817
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.59456	2.1
69.47671	13.0
79.03069	2.3
79.27778	2.3
81.07070	2.3
82.80205	2.3
105.07040	3.1
123.27886	2.1
136.07565	3.0
174.09192	3.2
187.12401	4.6
188.09277	2.3
188.10822	2.8
197.92612	2.4
215.11748	3.6
227.11755	5.6
242.74643	2.7
243.11339	24.6
267.11368	8.9
269.13022	3.3
277.09772	2.5
285.12415	4.8
295.10876	5.3
301.15704	4.1
325.15573	8.6
327.13550	7.1
328.10669	3.4
328.14178	2.4
330.12494	2.9
332.10748	2.9
342.12601	4.9
344.13992	6.1
345.14569	2.7
348.13464	3.6
356.13937	5.0
358.15558	4.3
370.15872	3.0
372.17032	6.3
386.14719	3.5
418.18042	2.9
435.14319	5.1
437.19675	2.5
446.20535	3.0
447.21985	4.1
463.21616	3.3
465.18658	12.2
479.20886	4.9
480.21191	3.8
481.22144	4.0
492.21750	4.6
493.22473	3.3
499.50604	2.9
507.24191	4.2
508.22095	2.9
535.23206	5.5
549.24884	13.8
553.24414	3.6
567.26001	78.5
568.26288	6.9
595.15912	3.4
595.25427	56.0
596.25568	4.7
627.17810	5.1
627.28107	100.0
628.27960	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	627.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03938	4.7
55.01871	9.2
55.05511	32.9
57.03427	7.4
57.07078	4.5
65.03941	5.5
67.05504	77.8
68.05832	1.3
69.03428	3.4
69.07069	22.9
71.04982	5.0
71.08618	4.5
79.05495	56.7
81.03419	30.7
81.07058	68.5
82.07383	1.6
83.04994	9.4
83.08615	24.4
85.02910	1.4
85.06536	3.5
85.09158	1.0
85.10196	1.3
89.06017	2.9
91.04913	2.1
91.05482	42.1
93.07044	48.0
94.07382	1.5
95.04360	1.7
95.04973	31.9
95.08610	45.6
96.08934	1.2
97.06533	5.6
97.10179	9.5
98.23380	2.0
98.98461	14.1
99.04459	3.7
99.08092	4.6
103.05487	1.3
103.20753	1.1
103.64260	1.0
105.04494	2.0
105.07034	32.6
107.04958	9.6
107.08598	31.1
109.06506	5.3
109.10155	22.2
111.04418	6.2
111.08084	5.8
111.11748	1.1
113.09665	1.2
115.05458	1.8
116.59607	0.9
117.07034	12.2
119.06155	1.1
119.08575	26.4
120.32489	1.1
121.06512	7.7
121.10149	22.1
123.04430	1.8
123.08051	5.8
123.11705	4.7
125.06053	1.1
125.09637	9.6
128.06236	2.3
129.07014	8.5
131.08560	19.3
133.06479	2.7
133.10141	17.3
135.08058	5.1
135.11690	12.4
137.09628	2.9
137.13271	2.1
139.11163	2.0
142.07813	1.6
143.08592	5.4
145.06522	1.2
145.10115	14.9
147.08032	4.3
147.11707	10.6
149.09607	10.6
149.13283	4.4
151.11217	2.6
151.14784	1.4
153.09184	1.5
153.12688	1.3
155.01035	2.8
155.08575	3.3
157.10078	6.8
159.08043	1.3
159.11665	7.3
161.09651	2.7
161.13274	5.5
163.11188	8.8
163.14832	1.7
165.12749	3.3
167.08559	1.1
169.10164	2.9
171.11696	4.8
173.09676	1.3
173.11896	1.2
173.13258	4.4
175.11195	3.8
175.14830	3.3
177.12735	3.3
179.14270	1.6
181.10175	1.5
183.11755	2.5
185.13324	3.0
187.11179	1.8
187.14812	2.4
189.11270	7.0
189.12761	1.8
193.12221	17.2
197.13255	2.3
199.14815	2.2
201.16345	1.7
203.14282	1.3
203.18057	1.1
209.13283	1.3
219.17368	1.6
223.13210	12.1
229.19542	1.2
239.18027	1.4
243.21146	1.2
244.14130	1.0
249.14809	2.7
257.19019	3.9
259.20535	2.1
261.22067	3.5
263.23669	4.0
265.82751	1.1
267.15869	5.1
275.20096	15.3
277.21527	3.5
286.30664	1.2
293.21161	11.6
301.25314	1.4
303.26730	1.8
335.25769	4.8
347.12497	1.5
349.23764	3.6
427.35538	1.5
437.34366	2.9
455.35159	8.5
473.36435	6.8
493.36838	1.2
511.37518	2.4
529.38892	100.0
530.39233	12.4
535.41089	1.1
609.45203	6.6
627.46167	28.2
628.46259	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
51.52427	1.0
52.38673	1.0
53.03953	9.3
53.93892	1.1
55.01871	12.8
55.05514	53.5
57.03435	8.0
57.07080	2.7
59.04984	1.3
60.10428	1.1
65.03939	7.1
67.05507	85.1
68.05835	2.2
69.03432	2.5
69.07069	34.3
69.89259	1.1
69.89577	3.1
70.92892	1.0
71.04993	7.8
77.03957	1.2
78.62907	1.0
79.05496	95.3
80.05818	2.0
81.03426	7.2
81.07057	81.0
82.07373	1.6
83.04986	19.7
83.08623	29.4
84.08959	1.1
85.02916	3.8
85.06535	3.3
89.06000	1.1
91.05484	57.2
93.03407	1.6
93.07047	100.0
94.07381	1.9
95.04972	60.0
95.08608	54.0
96.05321	2.3
97.06550	6.7
97.10176	11.0
99.04459	11.9
99.08089	2.3
103.05478	1.1
105.04531	3.9
105.07036	45.1
107.04971	11.2
107.08597	60.0
108.08903	1.2
109.06525	8.6
109.10156	26.8
111.04440	17.0
111.08086	6.1
115.05495	1.4
117.07014	16.8
119.08587	30.7
121.06541	5.7
121.10143	41.5
122.10529	1.2
123.08109	6.5
123.11703	7.1
125.05993	1.9
125.09629	11.0
129.07004	4.3
130.07837	2.1
130.28780	1.2
131.08577	24.7
131.09509	2.1
133.06566	1.8
133.08614	1.3
133.10132	20.2
134.10471	2.7
135.08090	7.2
135.11697	22.3
137.09650	4.0
139.11206	4.0
141.07018	1.2
143.08594	4.7
145.10127	23.0
147.08055	4.2
147.11699	11.7
149.09622	26.6
149.13263	8.1
151.11195	2.0
153.09120	2.0
153.12694	2.8
155.08598	2.6
157.10188	3.6
159.11696	16.6
161.09561	1.5
161.13254	7.5
162.20082	1.0
163.11186	28.8
163.12494	1.8
163.14803	2.7
164.11635	1.7
165.12813	4.4
167.10768	1.9
169.10188	3.9
171.10313	2.0
171.11717	2.5
173.09636	1.9
173.11852	2.0
173.13199	7.0
175.11250	2.5
175.14883	3.2
177.12781	3.3
177.16389	1.3
181.10252	1.1
181.12236	1.7
183.11835	2.4
185.13332	2.2
187.11263	3.8
187.14885	3.3
189.11252	10.3
189.12738	1.7
191.10715	1.8
191.14293	1.5
193.12360	1.4
197.13333	1.3
201.16418	1.3
205.12248	6.9
207.13898	1.3
211.13290	2.3
215.17847	1.2
219.14014	1.3
223.05983	1.1
223.13289	58.2
224.13719	2.7
227.12848	1.5
229.19470	2.7
239.18011	4.7
243.21193	1.7
247.20630	2.3
257.18939	6.7
261.22137	6.8
273.18619	1.5
275.20056	61.4
276.20477	3.4
293.21097	28.6
311.22229	1.8
317.24915	2.4
331.22797	1.9
335.25912	11.1
349.23734	7.9
367.24918	1.7
609.45087	8.2
627.46210	78.3
628.46710	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	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.7
51.02402	1.8
53.03950	12.2
55.01872	13.1
55.05514	50.9
57.03440	9.1
57.07069	4.1
59.05001	2.3
61.01480	1.7
65.03947	7.6
67.05506	98.5
69.03450	4.1
69.07067	35.5
69.13461	10.8
71.04980	8.6
77.03938	2.5
79.05495	99.6
81.03419	10.6
81.07060	86.6
82.07401	2.3
83.04987	21.9
83.08615	31.6
85.02924	6.2
85.06548	4.1
89.06041	10.2
90.31034	1.8
91.05484	71.1
93.07046	100.0
95.04970	63.4
95.08608	72.8
97.06522	9.1
97.10190	12.8
98.98491	3.5
99.04491	8.0
99.08099	3.0
99.34734	1.6
103.05484	2.3
105.04566	2.8
105.07032	50.4
107.04975	14.0
107.08598	61.4
108.08939	2.8
108.33656	1.7
109.06537	7.3
109.10156	25.7
111.04427	15.6
111.08101	6.5
115.05447	3.5
117.07018	20.4
119.08570	32.0
121.06534	8.5
121.10146	41.8
123.08099	6.2
123.11747	8.3
125.05923	1.7
125.09631	10.5
128.06206	2.3
129.07030	8.2
131.08569	29.4
133.08649	7.0
133.10124	22.6
135.08089	7.8
135.11699	19.2
137.09660	3.2
139.11195	3.9
141.07097	2.2
143.07526	1.8
143.08517	8.9
145.10121	27.9
147.08092	4.6
147.11679	16.9
149.09618	25.1
149.13228	8.6
151.11246	3.3
153.09166	2.4
155.08614	5.0
157.10172	6.2
159.11687	15.5
161.13301	8.0
163.11182	25.6
165.12813	3.9
169.10172	3.4
171.11726	7.1
173.11919	1.9
173.13313	6.8
175.11244	4.0
175.14819	2.9
177.11305	2.0
177.12794	3.6
181.12137	3.8
183.11778	5.0
187.11296	4.5
187.14874	4.9
189.11252	11.1
189.12767	2.0
193.12325	6.8
197.13231	2.6
199.14832	2.8
201.16518	3.0
205.12230	6.0
210.62325	1.7
211.14966	2.6
215.18007	1.8
223.13283	57.8
223.15279	3.4
224.13747	2.7
225.16423	2.1
229.19565	3.3
239.17920	3.6
243.21028	2.2
244.37614	1.9
247.20889	2.8
257.18961	8.5
259.20609	2.9
261.22299	6.1
275.20053	62.4
275.22971	3.4
276.20493	3.9
293.21100	26.9
335.25696	11.7
349.23856	10.0
367.25000	2.4
415.25687	2.6
455.35474	2.5
501.53647	2.0
529.39020	16.4
530.39203	4.2
603.72644	1.9
609.44946	7.4
627.46161	70.9
628.46509	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	627.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01880	9.4
55.05516	34.7
57.03436	6.4
57.07073	5.7
57.90432	1.7
63.23517	1.6
65.03938	6.1
66.39435	1.8
67.05508	69.9
69.03419	2.1
69.07071	28.2
71.05001	3.8
71.08633	11.9
79.05495	76.9
80.05832	2.1
81.03426	6.4
81.07061	100.0
83.04993	7.4
83.08610	18.1
89.06017	3.3
91.05482	53.0
93.07050	65.3
95.04970	15.1
95.08614	53.5
97.06527	7.2
97.10173	5.3
98.98475	2.8
99.08073	9.4
103.05481	2.3
105.07033	41.2
106.07342	2.3
107.04279	2.5
107.04981	8.3
107.08601	32.8
109.06513	14.2
109.10176	20.2
111.08083	5.1
113.09684	2.1
115.05457	2.4
117.07005	10.8
119.08577	35.1
121.06499	3.8
121.10151	24.2
122.77448	1.8
123.08076	4.5
123.11701	8.3
125.09673	3.9
129.07005	3.8
131.08585	20.5
132.66736	2.1
133.10139	24.2
135.08090	5.8
135.11703	19.7
137.09657	4.8
137.13268	2.1
141.07008	2.1
143.08566	7.1
145.10126	12.8
147.08066	2.0
147.11699	21.9
149.09593	6.4
149.13226	12.6
151.11160	5.8
155.08569	3.0
157.10136	5.2
159.11745	14.1
161.09587	2.3
161.13237	9.7
163.11169	10.1
163.14809	6.1
165.12746	6.0
170.46046	1.8
171.11690	6.0
173.13309	8.6
175.11281	2.0
175.14803	2.6
177.12692	2.2
179.14304	14.8
183.11775	3.7
185.13297	2.7
187.14813	3.5
189.11221	4.0
193.12254	3.7
215.18004	2.4
229.19475	2.3
241.19617	3.3
247.20576	3.7
257.19040	4.0
259.20621	4.5
261.22235	7.3
267.15814	3.5
275.20056	33.5
276.20386	2.9
277.21646	19.6
291.19336	2.7
293.21051	10.7
310.42862	2.0
317.24799	4.3
331.44827	1.9
333.24243	2.8
335.25757	15.7
337.27356	2.1
349.23761	16.9
351.25531	3.6
367.24908	3.1
441.55423	2.2
473.36746	2.8
529.39069	27.7
530.39294	3.2
535.40912	2.6
553.42426	2.6
563.71765	2.1
609.45123	21.1
610.45673	3.7
612.02136	2.2
627.46198	62.6
628.46423	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.9
55.01874	15.4
55.05517	33.2
57.03448	11.5
57.07080	5.8
65.03946	5.9
67.05509	88.8
68.05858	2.3
68.68336	2.0
69.03451	3.3
69.07071	32.2
71.05021	3.1
71.08649	4.0
79.05496	75.6
79.18742	1.9
81.03426	7.3
81.07063	100.0
83.04974	10.4
83.08628	19.0
85.02943	3.2
85.06535	5.4
89.06054	2.8
89.59277	2.1
91.05485	62.3
93.07050	68.2
94.07360	2.5
95.01304	2.5
95.04980	30.2
95.08609	59.1
96.05340	2.3
97.06526	17.6
97.10175	4.1
99.04438	2.9
99.08104	3.0
103.05434	2.3
105.04534	3.8
105.07035	53.0
107.04939	11.8
107.08610	34.4
109.06488	14.5
109.10154	21.5
111.04448	4.4
111.08104	5.0
113.09637	2.2
117.07047	14.4
119.08591	32.3
121.06497	5.0
121.10143	25.5
123.08039	5.5
123.11733	6.0
125.09635	5.0
129.07011	6.1
131.08586	24.4
133.10147	27.8
135.08098	6.2
135.11720	12.1
137.09631	4.8
141.07068	2.3
143.08565	6.2
145.10127	22.1
147.11705	16.7
149.09650	10.4
149.13281	8.5
151.11162	4.5
157.10184	3.8
159.11670	14.0
161.09544	2.4
161.13258	8.2
163.11206	9.7
163.14870	4.1
165.12860	2.6
169.10175	3.1
171.11752	5.6
173.13274	4.2
175.11076	2.7
175.14859	3.1
179.10751	2.2
179.14333	11.3
181.12251	2.9
183.11662	3.4
189.11240	2.9
191.08615	2.5
193.12398	2.6
197.13304	3.4
201.16423	2.9
219.17448	30.8
223.13264	19.7
225.74280	2.4
229.19597	3.1
239.18080	3.1
247.20639	4.2
257.19003	4.7
261.22409	3.0
273.18542	2.5
275.20059	61.3
276.20367	4.1
277.21671	6.3
291.19482	4.6
293.21115	13.3
335.25836	50.3
336.26010	3.5
338.27924	2.5
349.23743	17.1
529.38654	9.6
609.45044	37.1
610.45459	5.7
627.46167	38.8
628.46820	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01879	11.2
55.05515	43.9
57.03443	7.7
57.07076	3.3
58.64219	1.2
65.03934	7.3
67.05509	86.5
68.05830	1.4
69.03429	4.1
69.07074	34.5
69.12345	3.9
69.12770	5.5
71.04997	7.1
71.08636	1.8
77.03941	1.5
79.05498	84.2
80.05841	3.3
81.03420	5.7
81.07062	79.8
82.07401	2.9
83.04980	15.7
83.08624	28.5
85.02909	5.3
85.06557	3.7
91.05483	59.7
92.05822	1.4
93.07048	82.8
94.07372	2.9
95.04977	56.3
95.08612	58.0
96.05310	1.3
96.08966	1.8
97.06519	9.8
97.10172	12.2
99.04457	10.1
99.08100	2.4
105.04523	4.2
105.07036	41.9
106.07349	2.4
107.04964	9.1
107.08602	59.6
108.08926	1.9
109.06525	8.3
109.10162	28.0
109.10907	1.4
111.04441	16.0
111.08099	7.4
112.04745	1.3
113.09665	2.8
115.05480	2.3
117.07013	14.8
119.08582	38.9
121.06509	7.1
121.10155	40.3
122.10525	1.6
123.08086	6.2
123.11707	8.0
125.09628	14.7
128.06238	2.4
129.05505	1.7
129.07030	6.2
131.04929	1.5
131.08575	27.6
131.09492	1.9
133.06534	2.6
133.10141	22.9
134.10474	2.5
135.08060	8.0
135.11711	22.9
137.09657	2.9
139.11211	3.6
142.07809	1.3
143.08582	5.1
145.10133	28.4
146.10486	2.6
147.08096	3.4
147.11690	17.1
149.09615	30.3
149.10693	2.1
149.13289	6.2
150.13783	1.5
151.11264	4.2
153.09132	2.3
153.12827	3.6
155.08559	3.0
157.10152	6.2
159.11700	15.7
161.09601	2.6
161.13275	10.1
163.11177	25.8
163.12462	1.5
163.14888	3.6
165.12779	3.3
169.10133	4.1
171.10368	1.3
171.11673	6.7
173.13301	10.7
175.11200	3.5
175.14914	3.2
177.12805	3.0
181.12309	2.7
183.11732	3.4
183.13928	1.6
185.13350	2.9
187.11243	2.6
187.14850	2.4
189.11252	13.6
191.10747	2.1
193.12274	3.2
197.13251	3.7
198.35756	1.3
199.14931	3.5
205.12260	6.3
211.13329	2.2
213.16501	1.5
219.17548	1.6
223.13293	58.8
224.13573	2.4
227.12869	3.2
229.19458	2.7
239.17928	6.6
241.19737	1.8
243.21155	3.3
247.20682	3.1
257.19000	10.5
259.20667	2.9
261.19666	1.4
261.22144	9.4
273.18542	2.9
274.18741	2.1
275.20081	68.8
276.20514	6.2
277.21613	1.5
293.21109	31.5
294.21439	2.8
317.24863	2.7
331.22839	2.3
335.25793	15.7
336.26385	2.3
337.27734	2.0
349.23776	10.9
350.23981	2.0
367.24951	2.7
501.35822	3.5
517.39618	2.0
535.41754	2.2
553.42950	1.6
609.44983	13.2
610.46082	2.2
627.46130	100.0
628.46490	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03958	7.7
55.01880	8.2
55.05516	35.8
55.18887	1.0
57.03437	8.0
57.07078	5.6
65.03944	7.3
67.05510	87.4
68.05839	1.2
69.03443	3.8
69.07072	33.0
69.07404	1.3
69.07710	3.6
69.08134	4.4
70.85389	1.3
71.04998	5.9
71.08641	11.9
71.27207	1.2
77.03927	2.3
79.05499	69.8
80.05830	1.3
81.03432	5.0
81.07063	100.0
82.07391	1.8
83.04984	11.2
83.08624	18.9
84.09005	1.2
85.06579	3.6
89.06043	1.8
91.05487	59.8
92.05801	1.3
93.07050	73.8
94.07390	2.2
95.04982	19.4
95.08612	68.1
96.08947	1.8
97.06541	10.8
97.10181	7.3
98.23476	1.1
99.04433	1.8
99.08106	10.7
105.04539	3.0
105.07031	50.9
105.44315	1.2
106.07355	1.9
107.04978	9.7
107.08602	39.4
108.08931	1.3
109.06528	13.1
109.10162	27.0
111.04482	1.7
111.08100	8.4
113.05949	1.3
113.09608	1.5
115.05458	2.3
117.07032	16.4
119.08591	36.2
120.08959	1.8
121.06494	8.3
121.10146	33.8
122.10538	1.7
123.08063	7.0
123.11722	11.4
125.09667	2.9
128.06253	2.0
129.07022	6.9
130.07881	1.3
131.08572	28.4
133.06517	1.4
133.08647	1.5
133.10139	25.7
133.11064	2.0
135.08043	5.4
135.11697	20.6
137.09639	3.9
139.11206	2.8
141.07011	2.8
142.07857	1.7
143.08569	8.4
145.06506	2.2
145.10135	21.2
147.08084	3.7
147.11682	23.4
147.12761	2.0
148.12047	1.8
149.09631	12.7
149.13271	12.9
151.11189	6.0
155.08568	4.9
157.10138	10.6
159.08096	1.6
159.11696	16.5
161.09671	3.1
161.13246	12.6
163.11200	9.4
163.14851	5.0
165.12794	4.5
167.08623	1.8
169.10152	4.6
171.11687	8.8
173.09648	1.8
173.11867	1.9
173.13261	11.2
175.11252	4.0
175.14783	6.1
177.12830	4.2
177.16394	2.1
179.14336	8.0
181.10149	1.6
183.11728	5.0
185.09653	1.4
185.13220	5.9
187.11317	2.1
187.14857	3.8
189.11176	2.4
189.12784	2.9
191.14381	2.8
193.12378	1.9
195.11760	1.5
197.13310	5.2
199.14868	3.1
201.12833	2.5
201.16446	2.1
207.13828	2.2
209.13379	1.4
211.14799	2.0
213.16455	2.9
215.18019	2.7
223.13324	4.1
229.19684	3.5
231.21065	1.6
235.14841	1.8
239.18057	3.7
241.19635	5.2
242.19998	1.1
243.21170	5.1
247.20479	5.6
257.19043	10.8
259.20551	6.5
261.22070	8.0
265.21793	2.6
267.16006	3.9
273.18521	1.8
275.20087	65.6
276.20511	4.3
277.21735	8.4
291.19485	1.1
293.21082	14.1
317.24820	3.6
330.79010	1.5
333.24310	6.9
335.25836	27.3
336.26315	3.3
337.27472	2.4
349.23764	28.2
349.27924	2.0
350.24023	1.9
351.25360	6.7
367.24942	2.6
367.29941	1.1
384.51379	1.2
419.33252	1.8
437.34329	5.0
499.38065	1.9
501.36310	1.3
511.38037	2.1
513.36224	1.4
517.40381	1.8
529.39197	2.4
535.41486	3.7
553.42377	2.4
609.45093	41.2
610.45258	5.6
627.46185	51.8
628.46509	6.6
636.13031	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	627.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05276	0.3
55.05514	4.2
57.03453	0.2
57.07076	0.3
57.97346	0.2
58.06599	4.4
65.03912	0.3
65.22910	0.2
67.05504	6.3
69.07070	6.1
71.04997	0.2
72.08149	0.4
79.05505	1.1
81.03416	0.4
81.07056	6.7
83.04980	0.4
83.08625	2.1
91.05466	1.0
93.07034	0.9
95.04969	0.4
95.08607	6.4
96.56021	0.2
97.06496	0.3
97.10181	1.2
98.09683	0.4
105.07012	0.6
107.08604	0.5
109.10164	3.3
111.04436	0.4
117.07018	0.2
118.96959	0.2
119.08549	0.5
121.10126	0.5
123.08038	0.2
123.11709	1.0
131.08554	0.2
135.11693	0.5
138.76648	0.2
147.91588	0.2
149.09601	0.2
157.10092	0.2
163.11136	0.6
182.19136	0.2
197.91124	0.2
252.26865	100.0
253.27205	6.2
347.67456	0.2
627.27429	0.7
634.50244	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	628.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03948	1.7
55.01868	0.5
56.92542	0.2
57.03420	0.3
60.69687	0.2
63.02374	0.5
65.03947	0.3
69.03429	1.2
69.21439	1.8
73.14418	0.2
77.03924	0.3
78.40880	0.2
79.01849	2.2
81.03408	3.8
85.02893	1.2
85.93244	0.2
89.03914	4.7
91.05478	5.7
93.07042	8.3
95.04957	1.8
97.02880	1.9
103.05463	5.9
105.04498	0.7
106.04161	0.4
107.01292	1.0
109.02883	2.5
117.03377	16.0
118.03726	0.5
119.04934	0.7
121.06502	45.1
122.06856	1.3
123.04465	0.3
125.02340	1.8
127.03892	1.7
134.03625	0.8
135.04448	1.2
137.02396	0.3
137.05988	0.7
138.09085	0.3
143.03407	2.4
145.02838	53.7
146.03195	1.4
149.05981	4.9
151.07475	0.4
153.01823	43.0
153.02869	2.0
154.02138	0.9
163.03900	1.4
167.03377	0.3
170.06039	0.3
171.02884	3.0
177.05461	100.0
178.05791	3.5
181.04965	0.5
186.05582	0.5
194.08153	0.8
220.09698	0.3
249.35777	0.2
256.23636	0.3
256.58075	0.3
297.06070	3.5
301.03494	0.4
302.04260	1.3
314.13843	85.0
315.07275	0.8
315.14145	6.5
317.06561	2.2
331.08041	1.1
340.71164	0.2
412.15256	0.3
442.04727	0.4
448.17490	0.2
467.05939	0.7
476.18906	0.9
628.23834	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	628.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
51.02382	0.8
51.41674	0.2
53.03953	1.3
55.01867	0.4
58.03374	0.2
63.02377	0.4
69.03432	1.1
71.04995	0.3
71.29932	0.3
77.03925	0.4
78.04722	0.4
79.01860	2.2
79.05490	0.3
81.02979	0.3
81.03425	4.0
85.02911	1.0
89.03471	0.1
89.03917	4.8
91.05485	5.3
93.07050	8.2
95.04972	1.7
97.02884	2.1
99.04452	0.3
103.05476	6.0
105.03393	0.2
105.04524	0.7
106.04171	0.3
107.01313	1.0
109.02882	1.9
117.03385	15.7
118.03713	0.6
119.04945	0.8
121.06513	48.0
122.06837	1.3
123.04464	0.2
125.02374	1.6
127.03935	2.0
134.03641	0.9
135.04390	1.2
136.05174	0.4
137.05988	0.7
143.03407	3.0
145.02855	55.9
146.03172	1.5
147.04359	0.4
149.05988	5.1
151.07541	0.7
153.01839	45.3
153.02901	2.4
154.02159	1.0
158.06050	0.4
161.05978	0.3
162.03197	0.5
163.03920	1.6
164.07092	0.4
167.03368	0.5
167.07011	0.2
171.02895	2.9
177.05476	100.0
178.05824	3.4
181.04929	0.7
182.69801	0.2
186.05522	0.9
194.08205	1.0
201.05469	0.3
220.09631	0.4
250.61844	0.2
270.05148	0.4
274.04749	0.4
297.06113	3.4
300.12338	0.3
301.03320	0.6
301.10916	0.2
302.04199	2.2
314.13873	87.0
315.07184	0.8
315.14203	5.0
317.06567	3.0
331.08160	1.1
339.10471	0.2
405.19952	0.2
467.06104	1.1
476.19131	1.0
623.42218	0.2
627.33795	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	628.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80975	0.4
51.02364	0.4
51.18681	0.4
53.03934	1.7
54.03348	0.7
55.01874	1.0
55.05502	1.1
57.58529	0.4
60.99487	0.4
65.03890	0.5
67.05498	1.2
69.03143	0.5
69.03435	5.3
69.93264	1.5
74.46996	0.4
77.03941	0.7
79.01844	1.0
79.05489	8.3
81.03420	3.8
81.07037	0.6
85.02894	1.6
87.17371	0.4
89.03912	3.3
91.05479	8.4
93.07044	25.4
94.07334	0.8
95.04977	2.2
97.02894	10.6
103.05480	4.8
105.04531	1.1
105.07054	3.4
107.01308	0.5
107.04949	1.9
107.08607	4.4
109.02888	1.6
117.03378	5.5
119.04955	0.7
119.08579	1.1
121.06509	52.8
121.10135	14.0
122.06021	1.0
122.06828	0.9
123.08044	0.9
127.03919	0.9
131.04935	1.7
131.08562	1.8
135.03394	0.6
135.04413	12.1
137.02339	1.0
137.05962	0.6
138.09126	6.8
143.03392	2.1
145.02847	11.8
147.04405	1.4
149.09627	6.7
153.01833	20.7
153.02928	1.4
157.05019	0.8
159.04382	2.1
160.99881	0.4
163.03905	98.3
164.04271	2.6
165.01759	0.6
165.05510	0.7
167.10670	0.9
175.03917	1.6
177.05455	1.3
180.06554	1.0
181.01274	0.8
193.04945	0.7
197.00783	2.8
201.05429	0.5
205.04980	3.1
207.02914	1.1
221.04379	1.4
231.02881	0.8
249.03859	2.1
267.05078	1.4
268.18997	0.4
293.13849	1.8
300.12305	100.0
301.12601	5.9
303.04996	14.1
311.14902	1.3
327.07031	1.7
380.35120	0.5
386.91336	0.5
430.22339	0.5
448.01254	0.5
448.23300	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	628.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.9
56.72148	0.7
57.03444	4.9
61.02929	4.6
61.43721	0.7
65.03894	0.7
67.05508	14.1
69.03432	5.3
69.07063	4.6
70.53803	0.7
71.04992	1.8
72.08149	0.8
73.02916	2.4
77.03906	0.6
79.05489	6.5
79.50908	0.6
81.03433	1.2
81.07058	32.6
82.94444	0.7
83.04982	2.5
83.08624	3.0
85.02912	10.1
85.06534	1.6
86.09716	1.6
87.04479	3.5
91.03946	3.4
91.05478	3.1
93.07044	14.1
95.08610	6.4
97.02886	7.7
97.06521	2.9
99.08095	1.1
104.66467	0.7
105.07023	1.7
107.08592	7.6
109.02873	1.0
111.08076	2.6
112.61303	0.7
115.03935	7.8
117.07028	2.2
120.08102	1.1
121.06491	1.5
121.10154	5.6
127.03915	2.9
131.08563	2.3
133.04967	9.2
133.10127	3.1
135.08046	1.8
135.11696	2.6
137.13300	1.6
145.04955	3.2
149.13269	10.6
153.01817	1.5
153.27425	0.6
159.11671	5.2
163.06046	2.9
168.19885	0.7
177.05434	1.0
177.12755	4.2
184.07603	0.7
195.13849	5.1
269.17480	100.0
270.17819	5.6
280.10925	0.7
295.10370	0.9
301.10849	1.2
413.21774	1.1
431.22577	1.9
628.33545	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	628.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
54.69057	1.1
55.01875	2.4
55.05511	2.8
64.98981	0.9
67.05511	12.3
67.98248	0.9
68.99768	2.1
69.03437	10.4
69.07078	4.9
69.60049	1.1
71.01365	1.4
71.03153	1.7
71.04980	1.1
79.05505	12.7
80.65894	0.9
81.03421	47.4
81.07059	10.4
83.08636	1.8
85.02909	1.7
91.05486	12.4
93.03337	1.1
93.07055	15.5
95.04980	11.3
95.08091	1.4
95.08605	9.3
97.02895	19.3
97.06507	3.5
103.05477	4.0
105.07051	4.4
107.04980	5.0
107.08600	6.0
109.02877	1.8
109.06546	1.2
109.10172	4.2
111.04432	1.8
111.08063	1.5
117.07022	3.8
119.04960	1.8
119.08581	3.7
121.02875	3.7
121.06513	78.9
121.10141	6.5
122.06866	1.7
123.04430	5.3
123.11714	1.8
125.02352	2.1
127.03915	3.2
129.07045	2.8
131.04913	2.9
131.08572	4.3
133.10158	4.1
135.08063	4.5
135.11713	4.1
137.02393	1.0
137.05978	1.4
138.09142	19.8
139.03909	27.0
145.06522	1.4
145.10153	3.9
147.04401	2.4
147.08043	2.1
147.11690	1.6
149.06038	1.2
151.03886	9.2
153.01846	8.5
153.05508	2.3
155.08585	1.3
157.05002	2.0
157.06480	3.1
157.10126	1.7
159.04427	2.3
159.11661	1.1
161.13284	1.1
163.03949	4.5
163.07516	5.0
165.05507	5.0
167.03369	5.7
171.08168	1.2
173.06079	1.2
173.13307	1.5
175.02551	1.7
175.03914	10.1
175.07518	2.3
177.05534	3.4
177.09030	1.0
179.07056	1.7
181.04927	1.1
189.05594	1.6
189.09108	1.5
191.07011	2.2
193.05013	4.8
197.00810	2.5
201.05548	2.3
203.07048	1.1
203.18027	1.0
205.05014	3.2
205.08640	3.2
207.02882	1.4
215.07074	1.2
217.08620	12.7
219.06541	3.8
219.10184	1.3
221.04422	2.1
235.09676	3.0
238.92665	1.0
249.03984	2.5
303.04962	10.3
387.21747	1.3
409.27213	1.6
419.25772	2.2
437.26892	13.4
438.27365	1.6
455.27939	100.0
456.28308	11.1
473.29028	75.4
474.29535	6.9
491.29886	7.9
628.33514	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	628.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01872	2.6
55.05512	2.7
56.56787	0.7
65.03934	1.0
67.05510	10.5
68.99786	1.3
69.03436	6.1
69.07075	5.5
70.75418	1.2
70.75752	1.1
71.01363	0.8
77.03938	1.3
79.05492	11.4
80.63507	0.7
81.03423	45.3
81.07063	11.9
83.04994	1.5
83.08621	2.6
85.02921	1.7
87.09997	0.8
91.05476	10.8
93.07043	15.3
95.01352	1.4
95.04972	11.3
95.08616	8.5
97.02886	5.4
97.06523	4.5
100.80094	0.8
103.05497	4.9
104.05768	0.8
105.03382	0.9
105.04521	0.9
105.07049	4.3
106.20627	0.7
107.04961	5.6
107.08591	4.9
109.02895	1.1
109.06548	2.0
109.10148	4.2
111.00801	1.0
111.04463	2.4
111.08092	2.0
115.03878	0.8
117.07055	3.7
119.04977	1.3
119.08598	4.2
121.02877	3.0
121.06509	80.7
121.10164	6.6
122.06848	2.6
123.04459	3.4
123.08081	1.2
123.11720	1.6
124.04814	0.8
125.02372	3.6
127.03946	3.9
128.06200	0.9
129.07007	1.3
131.04942	1.4
131.08588	4.0
133.10118	4.0
135.08052	2.7
135.11699	4.8
137.05940	1.5
138.09134	19.2
139.03903	25.7
139.09441	1.0
141.05458	0.8
141.06941	1.3
143.03392	0.8
143.08594	1.8
145.06505	1.7
145.10117	2.0
147.04474	2.5
147.08066	2.1
147.11726	2.3
149.09589	1.2
151.03915	7.6
153.01834	17.9
153.02899	0.6
153.05450	2.3
155.08646	1.2
157.04999	1.4
157.06488	0.9
159.04398	1.5
159.11748	1.8
161.05971	2.0
161.09587	1.6
163.03897	2.9
163.07524	4.4
165.05496	5.3
167.03419	6.2
167.07065	1.3
171.08040	1.3
171.11778	1.5
173.05937	1.3
173.09599	1.0
173.13339	1.0
175.03923	9.3
175.07516	0.9
177.05473	3.1
179.07152	1.1
181.08771	1.7
181.10214	0.9
183.08049	0.7
187.14738	0.9
189.05444	1.7
189.09027	1.3
191.07011	1.8
193.05000	4.9
195.11549	1.3
197.00816	1.8
199.07607	1.4
201.05504	1.8
201.09241	1.0
201.12854	1.1
203.07118	1.6
205.05058	2.3
205.08627	3.4
207.06566	1.4
215.07027	1.1
217.08627	12.7
219.06525	2.6
221.04527	1.9
223.09616	1.0
229.19550	1.1
235.09679	2.7
249.03925	0.9
267.04974	0.9
273.18491	0.8
275.20090	1.0
301.18091	1.1
303.04977	7.2
317.21039	1.0
319.19165	0.8
327.07349	1.3
342.79898	0.8
359.22195	1.0
361.04092	0.9
362.04330	0.9
411.25235	1.9
419.25626	2.1
437.26917	15.7
438.27332	2.1
455.27930	100.0
456.28329	9.0
473.29013	72.8
474.29376	7.6
491.30069	7.7
628.06378	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	628.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06749	2.0
51.49747	2.3
53.03944	5.9
53.52849	2.6
55.01874	15.9
55.05275	3.3
55.05515	45.9
57.03442	19.8
57.39217	1.9
59.63696	2.2
65.03931	4.0
65.59207	2.5
67.05506	54.8
68.99732	21.2
69.03423	6.7
69.07073	23.7
71.04983	6.2
79.05495	64.0
81.03419	60.0
81.07056	100.0
82.03777	2.3
82.07391	4.0
83.04988	29.2
83.08618	35.9
85.02898	25.2
85.06528	4.5
91.04911	2.8
91.05479	56.0
93.07040	50.5
95.04974	41.0
95.08607	23.8
97.02887	5.2
97.06521	12.5
97.10177	26.7
98.23460	4.0
99.08105	3.5
105.07028	47.6
107.04961	16.8
107.08604	29.8
109.06537	15.3
109.10164	12.8
111.04456	19.0
111.08080	18.6
115.05458	2.8
116.25383	2.4
117.07014	11.4
119.08578	41.0
121.06523	8.8
121.10142	22.5
123.08080	28.2
123.11696	2.7
125.05968	3.3
125.09650	25.8
129.07014	17.4
131.08575	23.3
133.06483	6.3
133.10135	18.6
135.08052	6.4
135.11682	12.1
137.09648	5.9
142.07803	4.4
143.08556	3.5
145.10110	20.3
147.08073	11.7
147.11697	19.6
149.09618	11.6
153.09081	3.9
153.12782	3.7
155.08536	3.2
157.10165	17.4
159.11690	6.7
161.09624	5.3
163.11218	20.4
165.09085	4.8
165.12784	3.2
169.55882	2.1
171.10271	2.9
171.11707	4.5
173.09633	4.9
173.13348	2.3
175.11191	16.9
177.12776	5.2
181.12212	9.2
185.13245	3.1
189.11241	23.7
191.10741	4.8
193.12259	50.2
195.13962	2.5
199.11263	2.5
211.13298	56.2
211.15201	4.0
213.72794	2.4
223.13210	5.6
227.12772	26.3
227.18031	2.9
245.18950	5.8
255.17566	3.3
267.15851	18.5
273.18463	40.1
274.18930	2.9
283.15518	3.2
285.16983	58.7
286.17264	3.0
291.19540	78.3
291.22739	4.7
292.19955	3.5
309.20663	9.2
331.13309	2.6
347.22104	10.5
365.23218	25.6
383.23947	12.2
455.26364	3.6
461.45184	2.7
539.33490	4.0
543.03973	2.9
557.35046	12.5
575.35754	21.4
593.36700	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	628.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95704	1.8
53.03944	6.2
55.01875	6.5
55.05514	17.5
57.03433	6.8
57.07079	2.5
58.85481	1.9
67.05505	54.6
69.07064	15.8
71.04995	19.0
71.08624	2.0
71.31153	3.3
75.61893	1.9
79.05495	37.9
81.03459	3.6
81.07059	100.0
82.07393	2.2
83.04980	7.1
83.08609	11.8
85.06536	6.7
91.05484	33.5
93.07050	30.1
94.14394	1.9
95.04978	9.1
95.08616	25.3
97.06541	6.6
97.10204	3.0
99.08067	3.5
105.07034	31.3
107.04964	5.8
107.08602	22.5
109.06529	13.2
109.09541	2.0
109.10136	12.0
111.08086	4.7
117.07013	10.0
119.08572	17.5
121.06490	2.7
121.10146	12.5
123.08098	4.0
123.11722	10.6
129.07004	4.3
131.08578	10.2
132.81853	2.2
133.10130	20.2
135.11710	7.2
137.09660	2.2
143.08553	2.7
145.10133	6.7
147.11694	9.3
149.09631	6.1
149.13272	8.5
151.11198	7.3
157.10161	3.5
159.11739	8.2
163.11180	3.9
165.12746	4.3
166.40402	2.2
173.13245	3.9
175.11232	3.5
177.12770	3.7
187.13264	2.9
195.13715	2.9
224.44679	2.1
243.15921	12.6
257.17392	2.9
267.15784	4.0
269.17612	9.5
275.20087	38.0
277.21600	2.8
293.21143	8.3
301.20105	26.4
349.23602	13.9
367.24799	11.9
517.35236	41.1
518.35547	5.1
530.39203	13.1
531.36658	4.6
535.36346	13.8
543.36676	20.9
561.37805	18.4
575.39130	7.0
576.38715	2.5
593.40424	10.1
628.46826	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	628.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.6
53.29924	1.4
55.01880	4.2
55.05512	13.9
57.03445	4.7
57.07076	37.9
58.06594	8.8
58.61493	1.5
59.05000	4.4
60.08179	3.2
65.03961	2.5
66.72495	1.7
67.05505	33.6
67.05842	2.5
68.05842	2.8
69.07063	13.7
71.05005	3.3
71.08630	29.2
73.06571	6.8
75.04504	1.8
79.05490	20.1
80.05842	2.5
81.03423	9.9
81.07056	30.6
82.03767	1.9
82.07402	3.3
83.05001	2.8
83.08635	11.0
85.10187	17.6
87.04485	10.0
89.06034	100.0
91.05469	15.5
92.05836	3.8
93.07051	20.3
94.07417	2.6
95.04994	7.5
95.08610	18.7
96.08962	2.9
97.06568	2.6
97.10187	10.7
98.22618	3.2
98.98494	5.9
99.08108	1.8
99.11773	3.3
105.07031	13.0
105.89148	1.6
107.04975	2.9
107.07107	2.5
107.08582	11.6
109.06543	2.3
109.10152	14.4
110.10537	2.4
111.11727	4.4
115.91539	1.8
117.07033	4.9
117.09157	6.4
119.08596	9.7
121.10151	8.2
123.11698	3.0
125.13294	2.9
126.99493	1.9
127.14842	1.9
127.87387	1.6
129.07021	3.5
130.08667	2.6
131.08600	6.2
133.08603	46.7
133.10197	6.3
135.11717	6.2
143.08594	2.1
144.10246	5.4
145.10178	5.0
147.11681	3.5
148.12137	1.9
149.09691	1.7
149.13289	2.3
151.14833	1.8
157.10101	3.7
161.13283	1.9
175.11241	1.5
177.11281	19.3
177.12650	3.5
185.13263	2.0
187.14856	2.1
193.12312	3.9
194.12491	2.6
197.22609	2.8
221.13887	3.5
236.14934	32.0
243.21136	2.0
261.22180	2.7
275.20117	2.1
277.21628	2.1
285.27994	2.5
329.30710	2.7
331.34470	1.6
390.24814	2.4
415.25577	4.6
456.36230	5.6
474.37558	6.5
489.35849	2.2
515.37292	2.3
530.39331	35.7
531.40143	8.4
583.18115	1.6
611.46436	5.7
628.47870	27.1
629.47577	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	0.7
69.03434	30.3
70.03762	0.6
70.60432	1.1
70.60764	1.0
77.85387	0.7
79.01865	2.0
79.05483	1.7
81.03418	1.8
81.07081	0.7
85.02933	1.0
88.33537	0.6
91.05488	2.9
93.07059	3.9
95.04958	1.1
97.02897	100.0
98.03240	1.8
103.05479	2.1
105.07049	1.9
107.08561	0.8
109.02879	1.9
115.03963	1.0
117.03322	1.0
119.04946	2.3
121.06511	8.1
121.10143	2.6
122.06818	1.7
123.00830	1.2
125.02374	1.5
127.03915	1.8
131.04926	7.3
135.04436	2.4
136.04781	0.7
137.02350	3.1
138.09079	1.5
143.03406	2.4
145.02869	1.9
147.04407	6.7
149.09653	1.2
153.01837	39.7
153.02873	1.8
154.02112	0.8
157.04959	4.5
159.04428	10.5
163.03915	17.5
164.04279	3.7
165.01854	1.7
165.05527	1.7
171.02876	1.4
175.03897	6.2
177.05443	4.7
179.03418	0.9
181.01360	3.9
183.02882	1.5
187.03922	1.8
193.05009	3.1
194.05261	0.7
197.00821	14.3
201.05493	0.7
203.03429	2.1
205.04967	16.9
206.05403	1.0
207.02917	4.0
221.04474	9.5
223.02409	4.0
223.04300	0.7
229.04944	2.7
231.02829	3.5
249.03944	10.5
257.04504	1.8
267.04962	3.8
277.99734	0.6
285.04019	0.8
300.12308	12.1
301.12646	6.4
303.05005	63.1
304.05316	5.0
327.07239	1.3
381.06525	0.9
413.05099	0.7
517.40851	0.7
629.30731	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	629.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
52.29382	0.6
55.01870	0.7
69.03432	12.5
69.15355	3.2
76.06615	0.4
79.01851	4.4
79.05457	0.6
81.03396	0.6
85.02897	1.0
91.05475	2.0
91.05999	0.4
93.07027	0.9
95.01340	0.9
97.02895	23.7
98.03219	0.7
103.05458	1.9
107.01310	1.6
109.02853	0.9
115.03986	0.5
115.39342	0.4
119.04933	1.7
121.06499	1.1
121.10147	0.6
123.00771	1.7
125.02351	2.7
127.03935	1.2
131.04935	6.8
133.02843	0.5
137.02333	2.4
142.76416	0.5
143.03403	5.9
147.04427	5.9
149.09612	0.5
151.03952	0.6
153.01834	100.0
153.02882	5.0
154.02147	2.4
157.04968	2.8
159.04420	9.7
163.03888	1.6
165.01851	1.7
165.05511	1.8
171.02890	1.0
175.03938	4.5
177.05490	3.7
179.03403	0.9
181.01366	3.7
183.02962	0.6
187.03969	0.8
193.01308	0.6
193.04956	3.9
195.02890	1.0
197.00816	12.8
201.05492	1.3
201.65686	0.4
203.03377	3.0
205.04962	15.7
206.05215	0.6
207.02870	3.6
221.04462	7.3
223.02347	2.9
229.04924	2.9
231.02892	3.9
249.03943	6.9
249.06438	0.6
250.04417	0.6
257.04416	1.4
267.05023	6.6
268.05435	0.6
279.70148	0.5
283.11261	0.4
285.04074	0.7
303.04993	47.0
304.05331	2.8
315.04715	0.4
327.07104	5.8
397.19159	0.5
455.84601	0.5
629.05566	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	629.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
55.01868	0.8
60.54333	0.4
61.02908	0.4
67.05501	1.0
67.78758	0.4
68.24040	0.3
69.03435	12.1
70.06592	0.4
71.15463	0.6
79.01857	4.0
79.05518	0.5
80.52094	0.4
81.03409	1.0
81.07054	1.5
85.02910	2.9
91.05476	0.6
93.07056	1.3
95.04987	0.4
95.08582	0.5
97.02900	21.4
105.07030	0.5
107.01318	1.0
107.08563	0.7
109.02856	0.9
115.03921	0.8
121.06522	0.9
123.04503	0.5
125.02332	3.0
127.03928	2.4
137.02347	0.9
137.05960	0.7
143.03406	5.3
147.04468	0.4
153.01837	100.0
153.02879	4.6
154.02133	2.5
157.04990	1.6
162.48758	0.4
165.01816	0.4
171.02849	1.2
191.03450	0.6
193.05174	0.4
195.13921	0.4
197.00882	0.4
203.13734	0.4
205.04936	0.7
207.02914	0.8
221.04642	0.6
229.04999	0.9
249.04092	0.5
257.04425	0.8
267.05029	6.9
269.17670	1.0
270.17807	0.5
274.04749	0.4
303.05005	17.4
304.05197	0.7
327.07062	8.6
535.31610	0.4
628.29706	0.6
629.25195	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	629.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41152	0.1
55.03597	0.1
55.12678	0.1
69.72224	0.5
94.39569	0.1
121.02843	0.8
137.06026	0.1
141.06998	0.2
153.01837	1.1
163.03902	0.5
169.06532	0.8
170.07280	0.9
181.06485	0.7
185.06058	0.1
187.03931	0.6
197.05968	1.7
198.06761	5.2
199.07082	0.4
209.05980	0.4
225.05441	0.8
226.06245	4.3
226.08017	0.1
227.06772	0.3
229.05029	0.2
237.05484	0.5
242.05713	0.2
243.06575	0.2
253.04973	0.6
254.05740	27.5
255.06157	1.6
257.04456	0.7
265.04916	0.5
269.04462	1.2
270.05243	1.2
271.06009	3.5
272.06552	0.2
281.04440	5.6
282.05225	11.4
283.05905	2.2
284.06451	0.2
285.04013	0.2
286.04727	2.5
299.05505	8.3
300.06268	9.2
301.06601	0.5
315.08615	100.0
316.08951	5.8
316.12573	0.3
434.31592	0.1
606.19830	0.1
629.15063	2.1
630.15582	0.2
641.28925	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	629.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
51.33817	0.2
53.03937	0.3
55.01885	0.2
57.03449	0.2
65.03956	0.2
69.03433	6.4
69.26438	1.6
70.06588	0.3
70.11299	0.2
70.88919	0.2
79.01860	2.0
79.19755	0.2
81.03410	0.3
86.58275	0.2
91.05505	0.2
97.02888	0.9
98.22648	0.5
107.01296	0.4
109.02885	0.6
121.02905	0.7
121.06509	0.6
125.02377	1.7
127.03927	3.7
131.04926	0.4
131.70639	0.2
133.02893	0.3
135.04453	0.3
137.02348	1.3
137.06012	0.8
139.03915	0.3
143.03404	2.9
147.04440	0.3
151.03888	0.3
152.84679	0.2
153.01837	62.0
153.02759	2.6
154.02162	1.6
159.04388	0.4
161.06012	0.3
163.03900	1.8
168.79047	0.2
169.06502	0.8
170.07230	1.0
171.02943	0.7
177.05569	0.2
179.03346	1.0
181.06433	0.6
185.05835	0.2
187.03911	0.8
191.03445	1.4
193.04941	0.3
195.02872	0.3
197.05969	1.8
198.06767	4.8
205.04939	0.7
207.02896	1.0
209.04478	0.9
209.06126	0.3
219.02850	0.3
225.05498	1.0
226.06250	4.0
227.06964	0.5
233.04459	1.1
237.03662	1.4
242.05850	0.4
251.05556	0.4
253.04993	1.1
254.05753	25.9
255.06078	1.6
257.04514	0.8
261.03949	0.3
265.04935	0.5
269.04324	1.1
270.05188	1.3
271.06033	4.2
272.06613	0.3
281.04391	5.6
282.05237	10.6
283.05893	2.0
286.04712	2.5
297.06161	2.7
299.05484	8.0
300.06281	8.6
301.06702	0.5
315.08649	100.0
316.08978	6.3
316.12595	0.4
331.08115	1.3
513.15094	0.2
629.14471	0.5
645.92053	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	629.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32569	0.1
52.03167	0.2
52.87031	0.2
53.03949	0.9
55.01871	0.9
57.03447	0.3
65.03609	0.2
65.03941	2.9
67.05506	1.5
68.99789	0.2
69.03434	1.2
70.53036	0.1
71.01344	0.3
71.04982	0.3
73.02953	0.1
77.03924	0.3
79.22875	0.1
80.02634	0.2
81.03416	5.2
82.03785	0.2
84.02113	0.2
84.68766	0.1
85.02905	1.6
86.06654	0.1
91.05466	0.4
92.81571	0.1
93.03398	1.5
93.07041	0.3
95.01315	0.2
95.04967	1.1
97.02890	0.9
99.04432	0.8
103.05465	0.4
105.04528	0.3
108.02095	2.5
109.02895	2.1
110.03674	0.9
111.04452	2.3
112.01581	0.3
121.02868	0.3
121.03989	0.3
121.06518	2.4
123.04472	0.4
125.06001	2.0
127.03905	0.7
131.04935	0.2
136.01538	0.7
137.02348	1.1
137.06018	0.6
141.05466	1.8
145.04962	0.2
147.04428	0.4
151.03912	100.0
151.04985	7.7
152.04224	2.8
152.05350	0.2
153.01820	1.0
161.05969	0.3
167.07054	0.2
169.04971	4.0
177.05515	0.3
179.07065	0.6
181.04933	0.5
187.03951	0.2
193.01305	0.2
200.04729	0.4
201.05345	0.2
204.04178	0.3
209.07976	0.3
217.04987	0.2
228.04175	1.4
229.04941	0.7
245.04489	0.8
245.08037	0.4
256.03647	0.5
257.04523	0.7
265.08557	0.2
273.03973	0.5
274.04681	2.5
285.03952	0.7
285.11240	0.2
286.04706	0.2
295.08099	6.6
296.08463	0.5
301.03439	6.3
301.06830	0.3
302.04199	25.7
303.04623	1.6
309.07565	0.2
313.09216	1.5
314.13803	0.2
317.06546	55.1
318.06909	2.6
350.10440	0.2
474.15924	0.3
479.11975	0.3
629.22479	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	629.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
67.05527	1.4
69.49404	5.0
69.49832	4.9
79.05488	3.1
85.79131	1.4
91.05479	1.8
93.07068	2.8
94.06561	3.3
95.08553	1.5
98.23365	1.6
106.06554	5.7
106.16782	1.8
107.07336	8.8
108.08117	33.6
111.03997	1.6
116.05003	2.9
120.04465	4.7
120.08121	7.3
121.08917	3.5
122.05205	1.6
122.06050	6.8
122.09672	21.9
134.06035	4.3
135.06795	2.2
136.07561	14.1
144.04488	4.4
146.05984	10.7
146.09592	2.2
148.07582	19.6
149.08305	1.9
150.09146	100.0
151.09500	4.3
152.07079	15.1
160.03972	2.1
160.07616	2.8
160.27252	1.6
162.05489	2.2
164.07077	4.2
165.07858	3.7
166.08643	30.0
172.03934	17.4
173.04337	2.2
174.05511	2.7
174.09094	1.7
176.07101	3.0
190.04997	15.0
198.11499	4.0
199.12315	1.9
204.06584	25.9
209.10773	2.1
210.09607	1.6
210.11546	6.6
211.08554	1.9
211.12273	7.4
212.13071	3.7
213.13791	1.9
218.08148	3.5
223.12238	8.7
224.09303	1.8
224.12961	1.9
225.10252	9.7
225.14023	2.5
226.10977	6.3
227.11755	4.0
229.13461	2.8
233.10736	1.9
235.08672	3.1
235.12376	2.4
236.13074	1.9
237.10181	12.6
237.13873	2.7
238.10936	12.0
239.11783	12.9
240.12556	1.9
241.13353	2.3
241.73610	1.5
244.46387	1.7
246.07652	4.5
248.09506	5.0
249.10216	11.7
250.10992	10.9
251.08080	2.2
251.09358	2.1
251.11777	20.4
252.08932	3.4
252.12531	7.0
253.09689	3.4
253.13399	8.9
255.11214	4.9
256.12082	7.1
257.12979	4.6
262.11029	6.0
263.11798	31.6
264.08917	4.8
264.12503	9.4
265.09702	9.5
265.13394	14.6
266.10504	11.5
267.11273	29.8
268.11719	3.6
269.12830	8.9
271.11066	3.0
271.14450	15.1
275.11786	2.8
277.09756	5.8
277.13196	1.6
278.10529	7.0
279.11273	46.5
280.11829	9.9
281.12823	13.9
282.13669	4.3
283.10837	7.3
283.14429	8.7
284.11612	11.6
284.14346	1.8
285.12347	41.9
286.12756	4.2
287.13925	4.8
289.15445	4.2
291.11261	22.6
292.12009	5.9
293.09476	2.4
293.12836	18.6
294.13315	1.8
295.10699	2.4
296.11624	5.3
297.12338	56.3
298.12924	9.2
307.10770	5.8
309.12335	42.1
310.12885	7.1
311.10391	3.6
311.13861	7.5
312.10953	1.9
319.10736	17.2
320.11172	2.5
321.12387	21.8
323.10318	13.8
324.11078	2.1
325.11859	21.2
326.12460	2.8
327.13333	10.2
337.11826	80.6
338.12347	8.8
339.13278	9.4
341.15002	2.5
343.16507	2.2
344.14175	2.3
357.14609	5.8
360.20547	2.3
367.12988	2.9
369.14365	7.0
371.16156	2.6
385.14029	3.2
386.18835	2.0
388.20230	6.7
390.18164	1.8
400.16458	5.3
405.20694	2.0
406.21265	7.9
412.16248	1.7
414.17892	1.9
416.19690	10.6
418.17538	2.8
420.19138	2.8
424.16534	2.2
430.17371	6.3
430.21753	4.4
432.19131	6.7
433.19962	32.1
434.20822	27.8
442.17615	5.8
446.21011	8.5
448.18558	25.3
449.19153	2.3
458.20624	8.4
460.18698	63.9
461.19211	17.2
462.20209	11.3
474.20276	66.2
475.20883	17.1
476.21722	16.7
477.22275	1.7
480.21271	3.6
492.21396	3.8
506.22876	21.9
507.23502	10.3
555.25952	2.6
579.26062	12.2
597.27106	73.5
598.27454	10.9
632.40472	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	629.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01620	1.9
53.03945	7.9
55.01871	6.4
55.05512	36.3
57.03445	9.3
57.07080	27.0
57.08595	1.9
65.03936	5.9
66.39078	1.8
67.05508	100.0
68.05848	4.0
69.03426	2.3
69.07069	34.2
69.14946	1.6
69.83159	6.4
71.05001	7.0
71.08638	8.3
79.05495	86.3
80.05827	3.7
81.03422	12.4
81.07063	99.1
82.07375	4.0
83.04989	8.1
83.08618	27.5
83.75069	1.8
84.77039	1.5
85.02890	2.2
85.06561	7.7
85.09663	2.0
85.10188	40.6
89.06048	8.1
91.05485	60.0
92.05811	3.0
93.07048	82.8
94.07372	3.8
95.04974	26.9
95.08610	71.7
96.05328	2.2
96.08939	3.7
97.06541	7.7
97.10169	13.3
99.08109	4.9
105.04548	3.5
105.07036	52.3
106.07393	4.5
107.04942	11.9
107.08604	46.9
107.09295	3.3
108.08958	2.6
109.06534	6.9
109.10158	38.9
111.04459	4.4
111.08116	6.3
113.09652	33.5
117.07028	20.2
119.08586	40.0
120.08918	2.0
121.06517	3.1
121.10138	35.3
122.10494	3.4
123.08083	7.2
123.11729	11.0
125.09659	7.5
128.06236	2.7
129.07031	8.0
130.07846	2.0
131.08575	33.4
132.08899	2.9
133.08647	4.3
133.10138	29.5
134.08990	2.2
135.08055	3.3
135.11688	20.3
137.09627	3.5
137.13239	3.6
141.07050	3.2
143.08575	12.0
145.10153	26.0
146.10516	2.6
147.08153	2.5
147.11693	20.8
149.09677	9.4
149.13254	15.6
151.11247	8.1
155.08565	6.3
157.10150	12.9
159.11705	15.6
161.13271	17.8
163.11218	7.2
163.14836	8.7
165.12764	40.0
169.10158	6.6
171.11679	8.5
173.13280	11.6
175.11229	2.5
175.14896	6.9
177.11349	2.3
177.12833	2.2
177.16403	4.0
179.14357	5.7
181.10143	4.4
181.12228	2.1
182.58315	1.8
183.11751	6.1
185.02187	1.7
185.13281	9.0
187.13316	5.4
187.14915	10.0
189.11195	4.3
189.16382	3.1
191.14352	2.3
193.12335	1.8
195.11783	2.2
197.13342	2.7
199.14862	4.5
201.16420	6.3
207.13875	2.7
211.14890	4.3
213.16508	5.2
215.17949	2.2
217.19446	2.6
221.13510	2.5
225.16472	4.4
227.18004	2.5
229.14401	2.3
233.22742	2.6
241.19542	3.1
243.21138	13.7
247.20540	2.7
249.22205	2.2
257.19043	2.8
259.20682	5.0
261.22208	23.1
262.22595	2.6
263.04953	2.0
263.23795	2.9
267.21338	2.0
275.20139	8.4
276.20560	2.9
277.21652	47.2
278.22025	3.5
295.22684	64.0
299.23770	2.5
317.24829	8.1
333.24246	4.4
335.25900	21.0
336.26266	2.3
337.27374	6.9
349.23743	2.0
351.25317	27.4
352.25650	2.7
369.26544	4.1
381.31046	1.8
385.34708	2.8
407.33093	4.4
409.31131	4.1
425.33990	7.2
443.35608	3.1
447.33484	2.1
483.35013	2.7
499.37711	14.2
501.35699	17.4
515.37512	3.1
517.38885	3.3
519.42188	4.9
529.38782	2.1
531.39874	22.2
537.43005	9.4
555.44122	5.3
593.45715	2.8
611.46704	43.0
612.47125	6.2
629.47766	94.1
630.48401	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	629.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.9
55.01870	8.9
55.05515	35.1
56.05858	1.8
56.09162	1.9
57.03432	9.9
57.07080	12.7
65.03947	5.4
67.05509	100.0
68.05824	3.2
69.07072	38.1
71.04999	4.1
71.08633	24.7
75.04503	2.5
78.77074	1.9
79.05497	60.2
81.03434	8.4
81.07059	86.5
82.07436	2.5
83.04990	7.2
83.08625	25.4
85.06557	5.9
85.10196	6.4
89.06033	4.9
91.05487	48.9
91.06014	3.9
92.05821	2.3
93.07049	66.0
94.07405	2.7
95.04985	11.3
95.08612	68.5
96.08960	2.9
97.06557	6.7
97.10190	12.1
98.98491	3.4
99.08089	16.7
105.07041	50.3
106.77532	1.9
107.05010	3.1
107.08599	39.1
107.09297	3.2
109.06520	4.9
109.10160	30.4
111.08099	8.5
113.09687	7.6
117.07033	17.4
119.08587	39.2
120.08960	2.5
121.10149	26.3
123.08102	3.9
123.11729	11.6
123.88000	2.1
125.09655	5.5
128.06262	3.5
129.07002	11.8
131.08582	34.9
133.10136	26.8
135.11708	15.1
137.09680	4.2
137.13318	6.4
139.11223	4.2
141.07018	3.6
143.08540	14.6
145.10114	27.2
147.08086	2.5
147.11697	18.2
149.09589	4.2
149.13249	12.7
151.11227	4.1
153.12791	2.9
155.08595	6.1
155.10648	2.5
157.10127	17.4
159.11673	14.1
161.13306	13.2
163.11217	2.9
163.14926	5.2
165.12796	6.4
169.10193	6.3
171.11742	9.0
173.11775	5.3
173.13326	9.4
175.14864	7.3
177.12756	4.0
179.14409	3.1
181.10153	4.9
183.11736	5.8
185.13203	9.4
187.14832	9.6
189.16495	3.7
193.12276	2.6
195.11739	2.3
197.13324	7.3
199.14882	10.0
201.16389	5.8
203.14507	3.3
203.18100	3.2
211.14812	2.8
213.16435	4.6
225.16275	2.1
227.12794	2.6
227.18013	3.7
231.17564	2.7
231.21167	4.2
239.18112	2.9
241.19559	3.7
243.21014	2.2
255.21278	2.2
258.06943	2.1
261.22272	5.1
267.16049	2.8
273.22238	2.7
275.20227	2.9
275.23267	2.7
277.21619	10.4
291.23306	2.9
293.21466	3.6
301.25424	2.0
317.24875	2.4
333.24036	2.6
335.25964	7.3
351.25369	4.2
361.26855	2.2
383.33188	5.6
407.33337	2.3
425.34201	4.8
428.28445	2.1
436.05194	2.0
439.35739	4.7
443.35089	2.2
455.34573	2.3
457.36465	2.2
473.37241	2.6
499.37912	5.5
513.39508	6.3
515.37366	29.4
516.37677	2.8
517.38940	2.6
519.42157	6.6
529.38971	7.4
531.40320	23.9
537.43066	10.4
543.40179	2.7
555.44000	9.9
593.45892	3.6
611.46667	50.2
612.47205	6.1
629.47815	93.9
630.48578	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	629.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67776	1.5
53.03946	8.5
53.91594	1.4
54.32438	1.5
55.01872	12.2
55.05514	38.5
57.03436	6.1
57.07079	11.8
65.03950	4.1
67.05507	89.9
69.07071	29.4
70.71372	1.5
71.05004	4.4
71.08630	19.1
71.20956	1.6
71.29753	2.1
79.05492	67.2
80.05858	2.7
80.91096	1.5
81.03426	5.1
81.07057	100.0
82.07386	2.7
83.04995	7.2
83.08620	20.1
85.06534	6.3
85.10200	5.5
86.53588	1.7
88.46484	1.7
89.06026	2.9
91.05482	52.6
93.07044	73.1
93.07634	3.6
94.07375	2.6
95.04955	13.5
95.08610	57.6
96.08999	2.1
97.06522	8.2
97.10191	8.0
99.08090	13.8
105.04541	2.0
105.07033	48.6
107.05003	2.6
107.08596	40.9
107.09296	3.0
109.06537	4.5
109.10157	20.7
111.08102	7.1
113.09688	5.8
117.07031	14.3
119.08582	37.8
121.06543	2.6
121.10132	29.4
122.10458	2.3
123.08059	2.8
123.11731	12.0
129.07056	6.5
131.08580	21.6
133.10138	19.8
133.70096	1.7
135.08127	2.4
135.11691	17.8
136.12045	1.8
137.09663	4.4
137.13220	2.3
139.11189	3.4
143.08586	7.6
145.10138	19.6
147.11668	25.5
149.09647	3.6
149.13240	15.3
151.11188	3.6
151.14822	2.1
153.12752	2.7
155.08560	3.0
157.10165	8.0
159.11696	13.2
161.13275	10.7
163.11234	5.1
163.14865	5.4
165.12762	7.2
165.37888	1.6
169.10201	5.2
171.11670	8.7
173.13306	6.1
175.11151	2.2
175.14880	7.6
177.12770	3.2
177.16348	2.1
179.14380	4.8
183.11765	3.1
185.13293	4.6
187.14883	4.6
189.16425	3.4
199.14833	3.5
201.16382	3.3
213.16472	2.8
215.17963	3.1
220.17159	1.8
225.16237	2.2
231.21167	1.9
233.18958	2.0
233.22601	2.8
241.19345	2.5
243.21124	7.3
259.20654	6.5
261.22159	13.1
267.15866	5.0
273.21988	1.9
275.20001	5.5
275.23068	1.8
277.21674	17.5
278.22137	2.2
283.20560	1.8
317.24771	10.3
333.24344	1.7
335.25842	4.4
345.31503	5.1
351.25333	9.5
369.26324	5.1
439.35754	2.4
457.37219	1.8
503.37259	4.5
513.39209	5.7
515.37183	1.8
519.42096	4.6
529.38818	2.4
531.40253	7.5
537.42780	6.6
555.44202	9.6
569.40436	1.9
611.46619	27.9
612.46558	4.9
629.47821	47.0
630.47784	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	629.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.01876	10.1
55.05515	34.2
57.03431	6.3
57.07077	8.6
65.03941	5.6
67.05507	96.5
68.05844	3.0
69.07069	39.0
71.04981	4.4
71.08635	5.9
75.60444	1.7
79.05495	55.5
81.03418	4.1
81.07060	100.0
81.35171	1.9
83.04986	14.0
83.08621	23.0
85.02911	3.2
85.06538	3.8
91.05483	38.3
93.07047	49.8
95.04965	40.3
95.08609	63.9
96.08954	2.4
97.06556	7.3
97.10149	10.3
98.23473	4.1
99.04449	4.9
99.08100	4.5
105.04553	1.9
105.07036	30.1
107.04983	7.1
107.08601	33.2
109.06512	9.6
109.10165	27.5
111.04410	11.3
111.08119	6.5
111.11713	3.1
113.09606	3.1
117.07012	10.9
119.08592	21.0
120.12938	1.9
121.06530	4.5
121.10168	21.9
121.36621	1.8
123.08102	5.5
123.11709	11.5
125.09688	6.6
129.07069	4.5
131.08548	13.1
133.08635	2.1
133.10121	18.9
135.08086	3.4
135.11711	11.3
137.09621	3.2
139.11224	3.0
140.62828	1.7
143.08583	4.3
145.10162	12.2
147.08154	2.8
147.11691	13.2
149.09642	15.5
149.13286	6.8
151.11206	3.3
153.09010	3.0
153.12819	3.0
154.45659	2.1
157.10164	4.9
159.11757	6.5
161.09645	2.4
161.13266	4.5
163.11182	10.8
165.12810	3.9
171.11641	2.7
173.09636	2.8
173.13333	4.6
175.14857	3.5
177.12764	3.0
187.11154	2.1
189.11224	9.5
205.12283	3.8
223.13278	37.0
223.15279	2.3
229.19614	2.9
245.22711	2.3
247.20670	3.4
257.19153	6.9
263.23831	4.2
273.18631	5.3
275.20093	41.7
275.22974	2.9
277.21762	6.5
291.19641	2.3
293.21100	29.6
295.22934	2.7
335.25903	3.4
337.17938	3.9
337.27298	12.6
349.23730	9.3
351.25510	2.5
374.38321	2.2
449.30356	10.5
531.40546	21.4
611.46777	7.9
612.46851	2.1
629.47784	71.3
630.48431	10.9
630.58112	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	629.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.9
55.01869	6.2
55.05519	29.0
57.03440	10.4
57.07082	8.9
65.03951	3.4
67.05508	93.1
68.05846	1.7
69.03439	2.4
69.07072	27.0
71.05019	3.6
71.08633	28.4
79.05496	65.8
80.05830	1.9
81.03429	11.4
81.07060	100.0
82.07400	2.5
83.04980	9.7
83.08616	18.6
84.36568	1.6
85.06534	3.6
85.10165	1.8
91.05481	42.6
91.06017	3.2
92.05823	2.3
93.07047	70.8
94.07385	1.9
95.04959	14.1
95.08611	64.5
97.06509	9.5
97.10189	8.0
98.98463	5.2
99.04462	2.2
99.08098	18.8
105.04548	1.9
105.07046	34.7
106.07395	2.6
107.04958	5.4
107.08602	41.0
107.09290	3.1
108.08956	2.7
109.06516	4.2
109.10173	23.1
111.04386	2.4
111.08091	7.2
113.09662	2.3
117.06995	11.6
118.79581	1.5
119.08578	22.8
121.06486	3.4
121.10146	29.6
123.08109	2.8
123.11702	8.0
125.09618	2.9
127.11227	1.9
129.05464	1.9
129.07031	5.4
131.08568	18.3
133.10126	15.0
135.08057	2.0
135.11703	18.3
137.09653	3.4
137.13280	2.3
139.11162	2.0
143.08597	7.2
145.10158	12.3
147.08133	2.2
147.11687	11.9
149.09633	4.8
149.13269	17.1
151.11205	10.4
155.08551	3.2
157.10135	5.3
159.11688	11.4
161.13290	8.0
163.11241	6.0
163.14896	5.1
165.12740	4.3
169.10204	3.1
171.11722	3.6
173.11890	1.8
173.13339	5.2
175.14844	3.4
177.12755	3.0
177.16370	2.9
179.14322	22.0
181.12364	2.9
182.90231	1.7
183.11681	2.4
185.13295	4.2
187.14879	4.8
193.12302	3.4
195.13791	3.2
201.16414	2.2
212.99471	1.7
215.17934	2.3
223.13243	1.9
241.19635	3.9
243.21162	7.2
245.22633	2.0
259.20535	3.5
261.22125	7.6
263.23700	2.6
269.17453	2.5
275.20078	5.3
277.21671	28.8
293.21204	3.7
295.22711	6.6
317.24622	2.8
335.25760	25.0
336.26337	2.8
337.27386	2.5
351.25244	24.3
439.35654	3.4
443.85138	1.8
457.36862	3.0
513.39282	4.9
515.37457	5.5
519.42493	2.1
531.40515	59.1
532.41028	8.2
537.42346	3.5
555.44781	2.1
611.46503	47.1
612.47119	5.4
629.47723	29.2
630.47760	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	630.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01869	2.5
55.05507	3.2
67.05504	3.6
69.03421	3.4
69.07065	5.0
70.06596	1.1
71.04991	4.2
72.08140	1.2
79.05493	9.5
79.69299	0.8
81.03409	2.1
81.07059	18.5
83.04980	6.0
83.08615	1.5
85.02892	6.8
85.06535	2.7
91.05465	5.5
93.07047	21.0
94.07346	1.2
95.04972	5.7
95.08604	13.8
97.02879	2.9
97.06529	14.6
98.22565	2.5
99.04457	6.3
101.06021	0.8
105.07037	14.7
107.04959	1.8
107.08601	10.5
109.06511	13.9
109.10182	2.1
111.08088	7.2
113.06028	1.7
117.06993	1.3
119.08583	7.6
121.06510	41.8
121.10149	3.4
123.04453	1.3
123.08064	3.1
123.11725	3.6
125.05987	6.7
127.03911	2.1
127.07568	6.8
128.06174	1.6
129.06981	2.0
131.08565	2.6
133.06453	2.0
133.10133	6.5
135.04398	2.2
135.08052	6.8
137.06027	2.8
139.07532	11.0
141.06915	1.0
142.07806	1.4
143.07040	6.7
143.08578	3.2
145.04964	3.0
145.10129	4.2
147.08032	1.5
147.11688	20.2
149.09592	0.9
149.13237	2.1
151.07556	1.2
151.11168	2.9
153.01810	1.2
153.09103	1.3
156.09300	1.7
157.08734	6.9
157.09961	6.7
159.06511	2.6
159.07820	0.9
161.09590	0.9
161.13185	4.8
165.12740	8.7
169.12253	4.0
171.11688	9.3
173.09602	1.6
175.11185	17.3
180.08670	1.7
181.10182	1.7
189.12738	11.7
193.12250	17.5
199.11174	15.1
205.04839	1.0
207.13799	8.2
211.13307	14.8
217.12245	46.8
218.12627	3.4
229.14316	3.3
235.13292	69.4
236.13684	3.1
253.14348	100.0
254.14729	5.8
271.15396	20.2
289.16476	22.3
289.19666	1.1
290.16742	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	630.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
53.03949	4.3
55.01870	12.8
55.05511	25.3
57.03439	8.8
57.07064	3.7
57.26010	1.8
58.36251	1.9
59.04974	2.3
64.80000	1.6
65.03960	1.9
67.05506	63.9
69.07069	12.4
71.04996	26.0
71.08637	8.0
79.05495	33.1
81.03426	2.2
81.07056	100.0
82.07396	3.4
83.04991	7.4
83.08625	18.2
85.06550	9.4
85.10178	5.5
87.04531	1.8
91.05482	33.0
93.07032	33.2
95.04974	8.2
95.08614	25.9
95.09184	3.0
96.08954	2.2
97.06535	12.8
97.10211	3.5
99.08101	7.9
104.73064	1.6
105.07031	24.5
107.04942	4.0
107.08588	23.4
109.06538	5.2
109.10159	14.0
110.70672	1.6
111.08088	17.4
113.09653	8.0
117.07013	5.8
119.08570	11.2
121.10168	10.7
123.08089	5.3
123.11718	18.7
125.09682	2.3
127.07547	2.4
129.06973	3.0
131.08595	7.5
133.10129	24.4
135.11705	7.6
137.09663	2.0
139.11111	2.0
145.10130	5.6
147.11725	11.9
149.09625	4.1
149.13258	11.8
150.13550	1.9
151.11172	14.5
151.55281	1.8
153.12718	2.1
157.10139	3.5
158.69327	1.9
159.11700	7.1
161.13318	3.6
163.11186	3.9
165.12753	12.4
173.13351	1.9
177.12791	5.7
179.14330	3.0
183.13837	2.8
185.13284	2.6
187.13303	6.4
187.14853	2.3
195.13852	7.4
221.15392	2.1
225.14772	2.5
229.22267	2.1
231.21112	1.9
243.15932	15.3
249.22089	3.5
257.17490	4.8
259.20477	2.6
269.17484	14.6
277.21631	38.2
278.22144	2.0
295.22757	12.4
301.20087	35.2
303.23209	2.9
338.44614	1.7
351.25204	24.8
369.26318	15.7
370.26801	2.2
519.29126	3.4
519.36847	63.0
520.37103	7.9
533.38275	5.4
537.37744	14.3
545.38422	28.2
546.38916	3.9
551.39636	4.2
563.39380	26.3
577.41284	9.9
595.41992	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	630.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
57.07078	31.2
67.05492	7.1
68.05829	0.9
69.07056	2.4
71.04993	1.7
71.08628	21.2
73.06567	7.9
79.05502	2.9
81.07047	4.3
83.08625	2.7
85.10179	19.4
86.10529	1.0
87.04470	6.1
89.06033	100.0
90.06361	1.7
91.05495	2.1
93.07053	2.7
95.08617	2.4
97.10164	2.8
99.11742	3.0
105.07039	1.7
107.07096	3.2
107.08589	1.9
109.10172	3.5
113.13293	1.5
117.09127	8.2
121.10155	0.9
130.08705	2.1
131.07059	1.5
133.08604	44.6
134.08972	1.4
135.10194	1.3
155.17952	3.8
161.11731	1.4
175.09682	1.6
177.11227	18.2
178.89583	0.9
189.05284	0.9
199.20586	3.5
207.76950	0.8
221.13850	3.4
240.11284	0.9
243.23181	7.5
277.21664	1.0
283.17749	1.0
287.25793	4.7
290.48325	1.1
390.87085	0.8
459.27988	1.6
489.35907	6.0
490.36514	1.3
613.45966	4.0
630.47919	2.1
631.37872	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	631.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
52.29385	0.8
60.80020	0.5
68.99780	0.8
69.88429	2.5
70.06591	1.4
72.08147	0.7
73.02931	1.1
79.01850	3.9
79.05468	0.6
81.03433	1.2
85.02907	3.7
86.09699	1.6
91.05486	1.7
93.03412	1.2
95.01341	2.2
95.04943	0.8
97.02893	1.4
107.01286	0.9
107.04986	2.1
109.02896	1.1
111.00764	0.9
113.02367	1.3
114.79202	0.7
117.03290	0.8
117.08154	0.7
119.04948	3.1
121.02843	0.8
123.04411	1.2
125.02355	2.4
127.03981	0.8
131.03384	1.1
133.02832	1.6
134.03641	1.0
135.04404	2.1
137.02325	4.0
138.03093	1.1
139.03918	3.9
140.43385	0.7
141.01813	3.2
143.03383	5.0
145.02881	0.8
147.04414	4.4
151.03889	1.6
153.01831	100.0
153.02882	4.7
154.02162	2.7
162.03165	0.9
163.03906	13.8
165.01849	2.8
165.05452	1.5
166.38539	0.7
167.03389	2.1
171.02966	0.7
171.11382	0.7
175.03894	3.2
177.01772	0.7
179.03404	8.4
181.04935	2.3
183.02872	4.0
191.03394	30.2
192.03798	1.3
193.04904	1.4
195.02904	13.8
201.05447	1.4
203.03426	1.4
205.04968	1.2
207.02893	7.5
208.03651	10.1
209.04471	11.4
219.02917	6.5
221.04420	2.3
223.02519	0.8
225.09180	0.6
229.04945	2.7
231.02913	1.8
236.03136	5.2
237.03946	16.6
247.02388	5.1
249.04007	2.6
257.04532	2.0
265.03442	21.2
267.04971	15.7
268.05334	0.8
275.02002	3.7
285.03799	0.9
293.02917	0.9
303.04993	66.6
304.05383	3.7
305.68741	0.7
310.17798	0.8
311.04092	5.3
329.05035	13.2
330.05325	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	631.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83495	0.2
65.27944	0.2
69.03416	0.6
69.25673	0.2
77.43243	0.2
78.38686	0.2
79.01836	0.8
81.03413	1.5
97.02866	0.6
107.01328	0.4
109.02869	0.7
110.03634	0.7
111.00813	0.3
121.02825	0.3
125.02324	0.7
127.03876	0.8
137.02341	3.0
143.03383	1.0
150.03101	0.4
153.01833	22.4
153.02921	0.9
154.02214	0.2
167.03412	0.5
171.02901	1.2
173.05904	0.3
195.70624	0.3
200.04662	0.4
204.04233	0.8
205.04906	0.3
217.05009	0.4
218.05748	0.3
228.04140	2.3
229.04916	1.5
245.04506	1.0
256.03720	0.6
257.04477	2.0
258.05194	0.5
273.03903	0.9
274.04709	4.1
275.05069	0.3
285.03961	1.3
297.06049	2.3
301.03427	9.5
302.04196	42.5
303.04575	2.8
315.07043	0.4
317.06552	100.0
318.06900	6.0
339.56033	0.3
549.56628	0.3
551.67407	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	631.1293
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01602	0.6
51.02380	0.6
51.52290	0.3
53.03946	1.1
53.27864	0.5
57.03447	0.4
66.62549	0.4
69.03439	2.1
70.24389	0.7
70.24751	0.9
71.04997	0.4
76.86050	0.4
78.47083	0.4
79.01855	5.4
81.02985	0.6
81.03424	7.7
85.02914	2.0
97.02893	2.7
99.04443	0.7
99.21497	0.3
107.01328	1.6
109.02884	3.5
110.03653	0.8
125.02378	3.8
127.03913	3.8
129.26996	0.3
136.52162	0.3
137.02353	1.4
143.03403	6.4
153.01842	95.5
153.02921	6.0
154.02173	2.3
171.02881	4.1
204.04189	0.8
211.06769	0.3
228.04195	2.5
229.04956	1.4
245.04498	1.4
248.77214	0.4
256.03717	0.7
257.04391	1.2
260.96313	0.4
273.03891	0.7
274.04672	4.0
285.03943	0.7
297.06070	7.5
301.03445	9.8
302.04214	44.2
303.04559	2.0
315.07028	1.3
317.06570	100.0
318.06915	5.2
479.11807	3.6
627.71906	0.5
647.41815	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	631.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.2
51.02386	0.5
53.00315	0.2
54.44712	0.1
55.01876	0.4
61.02931	0.1
68.99781	0.2
69.03433	8.7
69.07060	0.1
69.50678	0.5
71.05010	0.2
79.01855	3.3
79.05508	0.2
81.03447	0.6
81.38289	0.1
85.02900	0.5
86.43298	0.1
87.00833	0.2
91.05476	0.1
97.02900	1.9
99.04456	0.4
105.07016	0.1
107.01328	0.9
107.04997	0.2
109.02888	1.0
119.04951	0.2
121.06520	0.3
123.04478	0.2
125.02353	2.0
127.03925	5.6
131.04927	0.3
133.02831	0.2
133.06479	0.2
135.04442	0.1
137.02336	0.5
137.05965	0.1
139.03900	0.5
143.02269	0.2
143.03406	4.4
145.02908	0.2
145.04964	0.2
147.04402	0.5
151.03906	0.4
153.01834	100.0
153.02798	4.3
154.02159	2.6
159.04425	0.4
161.06093	0.1
163.03935	1.2
165.01923	0.1
171.02914	1.3
175.03915	0.4
177.05492	0.5
179.03392	1.3
179.07056	0.3
181.01334	0.6
183.02925	0.2
187.03914	0.4
189.05301	0.1
191.03415	2.4
193.01430	0.1
193.04947	0.3
195.02869	0.5
200.04745	0.2
205.04935	1.0
207.02907	1.2
209.04501	0.9
211.02449	0.2
215.03465	0.3
219.02853	0.6
221.04492	0.4
223.02391	0.4
223.06039	0.2
228.04179	0.7
229.04956	0.4
233.04488	1.3
235.02336	0.2
237.03958	3.3
238.04221	0.2
245.04501	0.3
249.03920	0.3
251.05511	0.4
256.03528	0.1
257.04324	0.3
261.03943	0.7
267.04956	0.4
273.03903	0.1
274.04736	1.1
279.04993	0.8
285.03918	0.3
297.06061	3.8
301.03458	2.8
302.04205	10.0
303.04584	0.5
315.07117	3.5
317.06561	17.8
318.06866	1.0
339.16861	0.1
422.97009	0.1
469.07544	0.4
510.51468	0.1
622.71381	0.1
627.14362	0.1
631.12054	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	631.1297
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01605	0.3
51.02190	0.1
51.02370	0.5
53.00307	0.1
55.01876	0.3
62.04266	0.1
68.99796	0.3
69.00832	0.4
69.01266	0.5
69.03434	7.9
72.13715	0.1
79.01396	0.2
79.01857	3.6
79.05502	0.2
80.02166	0.1
81.03435	0.6
81.07075	0.2
81.85436	0.1
83.01343	0.1
85.02904	0.4
87.00843	0.2
91.05499	0.2
92.02614	0.1
93.07050	0.3
95.01334	0.1
95.08631	0.1
97.02898	2.1
99.04469	0.5
103.05483	0.1
107.01337	1.0
107.04908	0.2
109.02876	1.2
110.03658	0.3
115.05499	0.1
117.03393	0.1
119.04974	0.4
121.06522	0.1
121.10162	0.1
123.00774	0.2
123.04418	0.1
125.01450	0.2
125.02354	2.3
127.03925	5.5
128.04256	0.2
131.04906	0.5
133.02864	0.3
135.04417	0.2
137.02379	0.8
137.03445	0.2
139.03923	0.4
143.03409	4.9
147.04410	0.8
149.09648	0.3
151.03909	0.4
153.01837	100.0
153.02744	4.3
154.02165	2.5
159.04396	0.9
161.04733	0.1
161.05971	0.2
163.03920	1.5
165.01819	0.1
165.05457	0.3
166.35884	0.1
167.03351	0.2
167.10629	0.2
171.02916	1.6
171.04324	0.2
175.03957	0.4
177.05475	0.5
179.03397	2.3
179.04860	0.2
179.06935	0.2
181.01312	1.0
181.04947	0.4
183.02815	0.3
187.04021	0.3
191.03406	3.3
192.03839	0.2
193.01402	0.1
193.04956	0.5
195.02885	0.6
197.04578	0.2
200.04654	0.3
203.03484	0.1
204.04262	0.2
205.04958	1.3
207.02892	1.9
207.06505	0.1
209.00880	0.1
209.04485	1.3
211.02357	0.2
215.03400	0.2
217.04990	0.4
219.02930	0.8
221.04453	0.4
223.02385	0.4
223.06068	0.3
228.04190	1.0
229.04945	0.5
233.04472	1.7
235.02261	0.1
237.03949	4.0
238.04309	0.2
243.02823	0.2
245.04527	0.5
249.03995	0.3
250.71672	0.1
251.05559	0.4
256.03683	0.3
257.04422	0.5
261.03992	0.6
267.05008	0.5
273.04059	0.2
274.04694	1.6
274.07376	0.2
279.05081	0.6
285.03915	0.3
297.06073	3.0
301.00879	0.1
301.03430	4.3
302.04211	16.0
303.04736	1.1
315.07101	3.6
317.06564	29.2
318.06931	1.6
341.06671	0.1
479.11505	0.1
584.47925	0.1
631.12982	0.3
633.46094	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	631.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
50.05332	0.1
51.02386	0.5
53.00306	0.3
55.01875	0.4
61.02910	0.1
65.03961	0.1
65.87161	0.1
67.05528	0.1
68.99792	0.2
69.00240	0.9
69.00658	0.2
69.03432	8.6
70.03733	0.1
79.01856	4.1
79.05483	0.1
81.03422	0.7
81.07068	0.3
85.02906	0.5
87.00861	0.2
91.05514	0.3
93.07046	0.4
97.02902	2.0
99.04456	0.5
105.07024	0.2
107.01319	1.1
107.04949	0.3
109.02889	1.1
110.03678	0.5
114.42077	0.1
117.03334	0.1
119.04955	0.4
121.02843	0.1
121.06564	0.2
121.10121	0.3
123.00840	0.2
123.04453	0.2
125.02361	2.2
127.03927	5.9
131.04947	0.6
133.02888	0.2
133.06541	0.1
135.04427	0.3
137.02361	0.9
137.97328	0.1
139.03929	0.6
143.03410	4.8
145.04955	0.1
147.04440	0.6
149.05905	0.1
149.09639	0.4
151.03911	0.5
153.01836	100.0
153.02827	4.7
154.02150	2.3
159.04395	0.7
161.05980	0.2
163.03906	2.1
165.01855	0.4
165.05490	0.3
167.03351	0.2
171.02901	1.9
171.04335	0.2
175.03903	0.4
177.05473	0.5
179.03394	2.1
179.07001	0.3
181.01363	0.9
181.05035	0.4
183.02838	0.4
187.03888	0.4
189.05486	0.2
191.03394	3.4
192.03896	0.2
193.01349	0.3
193.04959	0.4
195.02847	0.7
197.04488	0.1
200.04678	0.2
204.04146	0.2
204.51123	0.1
205.04961	1.4
207.02885	2.0
207.06310	0.1
209.00764	0.2
209.04468	1.3
211.02361	0.2
215.03313	0.4
217.04959	0.3
219.02925	0.7
221.04454	0.4
223.02477	0.2
223.05969	0.3
228.04143	1.1
229.04898	0.6
231.02863	0.1
233.04463	1.8
235.02316	0.1
237.03944	3.7
237.06317	0.2
245.04454	0.5
249.03998	0.3
251.05531	0.5
256.03653	0.3
257.04413	0.5
261.04044	0.7
267.04950	0.6
273.03952	0.4
274.04688	1.8
279.04959	0.7
285.03912	0.6
297.06079	2.7
301.03464	4.5
301.06906	0.2
302.04214	17.5
303.04684	1.3
315.07117	3.1
317.06564	29.7
318.06934	1.6
341.06537	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	631.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74556	0.1
63.02368	0.2
65.03936	1.9
70.90021	0.3
81.03423	0.3
89.03921	2.2
91.05485	13.4
92.05829	0.3
97.42882	0.1
97.44790	0.1
109.02881	1.2
117.03384	5.3
119.04947	26.5
120.05264	0.7
127.03922	0.5
130.88470	0.1
134.03612	0.3
135.04445	0.2
145.02852	11.7
146.03252	0.2
147.04411	100.0
148.04749	2.8
149.05977	1.5
160.92497	0.1
168.73862	0.1
177.05475	22.1
178.05812	0.7
197.62640	0.1
273.07523	0.9
613.29321	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	631.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
52.91165	0.1
55.94299	0.1
57.27736	0.1
57.88220	0.1
58.98891	0.1
63.02388	0.4
65.03941	1.5
67.01877	0.3
70.55557	0.3
71.71137	0.1
78.04722	0.2
81.03417	0.4
81.07063	0.1
89.03921	3.5
91.05486	14.0
92.05836	0.4
103.05473	0.1
106.04180	0.2
109.02882	1.7
117.03389	8.6
118.03679	0.2
119.04950	26.7
120.05265	0.9
127.03935	0.6
134.03584	0.7
135.04462	0.6
145.02858	18.1
146.03201	0.7
147.04414	100.0
148.04742	3.2
149.05978	2.7
150.06357	0.2
150.75983	0.1
160.68176	0.1
163.03908	0.2
177.05476	34.3
178.05818	1.4
186.05516	0.4
234.32022	0.1
260.38678	0.1
273.07611	1.3
370.84189	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	631.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.1
53.00347	0.1
63.02393	0.2
65.03938	1.8
67.01861	0.3
69.36681	0.6
69.37087	0.3
81.03413	0.4
89.03921	2.4
91.05483	15.2
92.05821	0.4
103.05472	0.1
109.02876	1.7
109.41338	0.2
117.03387	6.4
118.03722	0.2
119.04946	29.7
120.05266	0.8
127.03927	0.4
134.03600	0.5
135.04405	0.4
145.02855	13.1
146.03188	0.4
147.04411	100.0
148.04733	2.9
149.05984	2.1
177.05472	23.5
178.05792	0.6
186.05536	0.2
233.36047	0.1
273.07553	1.2
292.82831	0.1
366.38718	0.1
483.51523	0.1
631.23224	0.3
632.45319	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	631.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
52.50459	0.1
63.02388	0.2
65.03942	1.7
67.01891	0.2
69.13603	0.9
81.03415	0.4
89.03922	2.4
91.05486	13.5
92.05818	0.3
101.12250	0.2
109.02885	1.6
113.64249	0.1
117.03387	5.9
117.36263	0.1
118.03754	0.2
119.04949	28.9
120.05283	0.6
124.25191	0.1
127.03920	0.7
129.67603	0.1
132.98181	0.1
134.03645	0.5
135.04442	0.4
137.87724	0.1
145.02856	13.4
146.03181	0.4
147.04414	100.0
148.04758	3.1
149.05983	1.7
153.01831	0.2
177.05476	22.3
178.05801	0.8
229.08685	0.2
259.09494	0.2
273.07587	1.1
303.08572	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	631.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82487	0.2
51.19443	0.2
56.61077	0.2
60.77640	0.2
70.59605	0.2
80.52911	0.2
81.03410	0.3
81.07044	0.4
88.70187	0.3
95.04936	0.3
110.20048	0.2
119.08635	0.5
133.62675	0.3
139.40524	0.3
177.01616	0.6
179.03209	0.7
208.56075	0.2
221.04202	6.4
223.05771	1.9
247.05698	0.4
265.06815	17.9
266.07248	0.7
347.22058	1.0
376.31119	0.3
389.22964	20.5
390.23267	1.4
417.22510	0.5
419.23877	0.3
444.11871	0.3
461.25330	0.9
467.28070	0.3
503.29660	1.1
505.27698	0.8
509.28964	0.4
529.27924	0.3
547.28943	1.1
553.27808	0.5
571.28644	0.8
589.30023	2.9
590.29968	0.5
595.28430	0.8
613.29755	1.6
631.30859	100.0
632.31146	11.3
632.41748	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	631.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
54.69197	1.0
55.05522	5.4
56.42699	1.0
57.07078	12.0
59.05007	5.1
59.74662	1.1
63.70212	1.1
64.98990	1.3
67.05497	6.2
69.03415	1.6
69.07071	4.5
71.05001	1.5
71.27551	1.2
75.04464	1.6
75.68445	1.0
79.05490	7.0
81.03425	3.0
81.07070	6.7
83.04979	22.4
83.08640	3.0
85.06538	1.9
89.06030	1.7
91.05486	7.9
93.07052	10.2
95.04955	7.0
95.08620	4.8
97.06539	13.1
105.07033	5.9
107.04999	1.7
107.08601	6.9
109.06542	2.3
109.10179	3.3
111.85116	1.1
117.07045	2.3
119.08595	8.9
121.06523	2.0
121.10159	7.9
123.08105	2.0
125.05996	42.2
126.06382	1.5
131.08582	4.3
133.10185	4.3
135.08072	1.3
135.11685	2.6
137.09631	1.9
143.08585	2.8
145.10121	8.6
147.08099	1.1
147.11711	1.7
151.07571	1.8
151.11194	1.9
157.10139	4.4
159.11691	3.5
161.09554	1.3
161.13219	1.8
163.11189	41.4
164.11505	1.5
165.09152	2.3
167.08546	1.5
169.10098	1.7
171.11829	1.7
175.14726	1.8
177.81885	1.1
179.64433	1.2
179.86012	1.1
181.12236	100.0
182.11031	1.1
182.12617	4.5
185.09795	1.3
185.13293	1.4
203.14336	1.4
203.39508	1.0
207.13890	1.4
211.13269	1.6
221.15419	3.7
282.66550	1.3
482.40546	1.1
601.40948	1.2
614.41125	1.4
631.42682	5.2
632.43408	1.9
645.09735	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	631.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
55.01881	4.1
55.05515	35.5
57.03437	3.8
57.07079	14.2
63.28542	3.1
67.05508	96.4
69.07068	33.6
71.04984	3.9
71.08643	3.8
72.14067	3.0
79.05495	41.8
81.03430	8.0
81.07063	100.0
83.04982	6.9
83.08624	15.5
85.06540	4.3
85.10199	16.7
89.06001	3.3
90.18761	3.2
90.20048	2.8
90.29327	3.1
91.05478	38.2
92.17261	3.0
93.07040	35.5
95.04980	18.5
95.08605	50.8
97.06552	6.9
97.10169	10.9
99.08089	5.0
105.07047	26.0
106.58845	3.1
107.05001	8.0
107.08611	24.0
109.06511	4.5
109.10149	28.6
113.09678	17.3
119.08597	13.7
121.10165	19.0
123.11721	7.7
125.09583	4.3
131.08618	8.3
133.10106	15.6
135.11681	10.3
145.10132	6.0
147.11734	10.9
149.09604	6.5
149.13235	5.9
159.11673	4.5
161.13213	3.9
163.11186	3.6
165.12759	21.7
223.13394	6.1
259.20514	4.6
275.20004	6.6
277.21664	46.5
293.21161	10.2
295.22653	93.9
296.22961	6.3
308.57971	2.9
337.27328	8.4
351.25186	7.9
382.97559	3.1
415.34064	3.5
533.42017	13.0
613.48059	9.9
631.33472	5.5
631.49298	69.5
632.49164	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	632.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05874	0.1
51.02372	0.2
53.03944	0.7
55.01887	0.2
65.03938	0.2
69.15873	0.9
69.84280	0.1
77.03904	0.3
79.01833	0.2
81.03415	0.2
83.05054	0.1
86.09710	2.5
91.05483	3.8
91.56342	0.1
93.07043	5.9
95.04971	0.9
97.02873	0.1
98.22593	0.2
102.04675	0.1
103.05468	3.9
105.04513	0.5
119.04900	0.1
121.06505	100.0
121.25696	0.2
122.06827	2.9
128.73900	0.1
131.16077	0.1
132.10213	1.6
138.09137	26.1
139.03931	0.3
139.09465	0.6
143.03378	0.2
153.01796	1.4
171.06511	0.3
211.86769	0.1
319.00754	0.2
521.88116	0.1
543.36823	0.1
563.98407	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	632.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39962	0.6
51.69538	0.7
51.81719	0.8
53.03947	1.8
54.06121	0.8
55.01875	1.6
55.05516	8.6
57.03443	12.1
57.07094	1.2
58.37751	0.7
61.02921	2.1
65.03933	1.7
66.37549	0.7
67.05509	36.1
68.05845	0.8
69.03400	0.8
69.07076	11.4
71.01353	3.2
71.04991	3.1
77.03916	0.9
77.51605	0.8
79.05497	31.9
80.05866	1.1
81.03423	4.9
81.07062	14.9
83.04984	5.2
83.08630	3.2
85.02909	2.6
85.06544	2.2
91.05487	12.6
93.07052	39.3
94.07365	1.2
95.04984	5.1
95.08617	5.3
97.02902	1.1
97.06533	8.5
97.10172	7.5
99.04443	0.9
99.08105	2.3
105.07037	4.9
107.04970	2.2
107.08601	23.9
109.06510	1.1
109.10157	7.5
111.08110	2.1
116.15646	0.7
117.07036	4.4
119.08588	6.6
121.06525	1.3
121.10154	7.0
123.08093	0.8
125.05985	0.9
125.09681	1.0
129.07037	0.8
129.81790	0.6
130.07805	0.8
131.08551	0.9
133.10139	3.0
135.08040	1.5
135.11699	38.6
136.12064	0.9
137.09601	1.6
144.80707	0.7
145.10156	7.0
146.10323	0.9
147.11682	1.7
149.09729	0.7
153.12732	1.9
163.11166	6.0
166.49521	0.8
167.10696	1.1
171.11769	0.8
181.12222	7.5
181.69318	0.8
199.13275	2.2
207.13913	1.2
229.14380	2.3
234.54089	0.7
241.14394	1.0
255.15933	58.5
256.16290	2.7
281.17569	2.3
435.27432	100.0
436.27795	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	633.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.7
51.02379	1.4
53.00300	0.6
53.03959	0.6
55.01865	0.2
55.80593	0.1
64.75103	0.1
65.24386	0.1
66.35735	0.1
68.99793	0.4
69.03432	1.4
71.04984	0.3
79.01859	8.7
79.05497	0.2
81.03416	3.3
85.02914	0.2
87.00833	0.2
88.40334	0.1
97.02895	2.9
99.04469	0.4
105.03398	0.2
107.01316	1.9
107.04955	0.3
109.02880	6.0
117.03404	0.2
123.00787	0.4
125.02356	3.7
127.03920	6.0
127.86700	0.1
128.04265	0.2
133.02824	0.8
137.02336	0.2
140.28796	0.2
142.26840	0.1
143.03403	8.8
144.03784	0.1
145.02837	0.2
147.04419	0.2
153.01834	100.0
153.02907	6.6
154.02171	2.3
154.03337	0.2
160.90607	0.1
161.02344	1.1
163.03880	1.6
165.01851	0.5
171.02962	0.2
173.02295	0.3
179.03462	0.8
179.04828	0.2
181.01361	0.2
189.01825	2.2
190.02393	0.2
191.03410	1.9
192.03831	0.2
193.01344	0.4
195.02975	0.3
201.01810	0.2
207.02907	2.2
217.01314	3.9
218.01991	0.3
219.02884	1.9
220.03319	0.1
221.00853	1.4
229.01451	0.2
235.02376	4.3
236.02672	0.2
239.01901	0.4
245.00822	3.2
246.01311	0.2
247.02393	1.1
248.89188	0.1
261.03998	0.2
263.01834	1.7
273.00320	2.8
274.01056	0.2
275.01776	0.7
291.01450	1.1
297.06259	0.3
300.99747	0.9
302.00626	0.3
319.00845	9.9
320.01160	0.6
337.01898	2.9
445.04037	6.2
446.04355	0.4
463.05084	2.1
464.05518	0.2
633.06543	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	633.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29259	4.2
70.06595	4.7
71.28446	6.0
73.75327	4.8
78.95631	7.9
87.89754	4.8
94.93015	100.0
94.93620	6.1
96.92843	15.9
112.89628	6.5
153.01822	8.1
175.11887	7.8
186.91722	96.1
188.89630	10.5
202.89128	19.6
204.87048	71.4
204.88974	12.3
206.86847	15.1
206.88623	6.9
212.85144	8.1
230.90738	6.5
240.83723	5.4
248.89755	19.7
251.03185	7.6
280.78595	4.3
284.83917	7.0
285.90268	5.0
286.83456	5.2
290.92801	80.2
294.80914	11.9
346.85748	8.2
348.78519	10.9
350.87537	4.4
372.81952	10.7
414.01587	5.6
458.82846	53.2
489.64035	5.0
633.10071	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1089
Annotation	Myricetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01621	0.2
50.37593	0.2
51.02388	0.8
51.31596	0.2
53.00304	0.2
53.03936	0.2
53.74319	0.2
55.01871	0.3
61.02943	0.3
68.99790	0.6
69.03436	7.1
71.30712	0.3
74.72686	0.2
79.01861	3.3
80.02178	0.2
81.03414	1.0
85.02911	0.5
96.36021	0.2
97.02908	2.1
99.04444	0.2
107.01328	0.8
109.02872	1.6
111.00815	0.6
123.04455	0.2
125.02367	2.2
127.03927	4.9
131.04935	0.4
132.13124	0.2
133.06587	0.2
136.07588	0.4
137.02362	0.7
139.03989	0.2
143.03412	4.6
145.04941	0.3
147.04419	0.5
149.05975	0.8
151.03970	1.0
151.04999	0.2
153.01839	100.0
153.02846	4.7
154.02177	2.4
159.04387	0.5
161.06052	0.2
163.03883	1.1
165.01874	0.9
166.02710	0.3
167.03415	1.2
171.02919	1.6
175.03905	0.3
177.05521	1.9
179.03395	1.6
181.01341	0.4
183.02875	0.5
187.03973	0.3
189.05530	0.2
191.03404	2.2
193.04964	0.2
195.02873	0.5
199.03885	0.3
205.04979	0.7
207.02901	1.0
209.04483	0.4
215.03503	0.3
217.04958	1.1
219.02907	0.7
221.04425	0.5
233.04500	1.0
237.03845	2.1
245.04521	1.4
251.05414	0.4
261.04102	0.4
273.03986	0.9
279.05023	0.6
290.04126	0.4
297.06091	3.2
301.03452	0.3
301.10550	0.4
303.01471	0.5
315.07156	4.0
319.04501	23.1
320.04810	1.4
329.02863	0.2
337.02078	0.2
343.04547	0.7
361.05298	0.5
481.09164	0.3
544.64349	0.2
633.27252	0.4
646.83356	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	633.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86545	0.3
64.63677	0.3
67.05499	0.5
72.89569	0.3
79.01887	0.4
81.07087	0.6
91.05489	0.5
93.07040	0.6
95.08683	0.4
97.02916	0.4
107.08578	0.4
117.08725	0.3
121.06516	0.4
121.10178	0.5
122.10381	0.3
127.03943	1.0
132.46570	0.3
137.93466	0.3
143.03439	0.5
145.02942	0.4
149.09680	0.3
153.01846	6.6
177.05594	0.5
185.04317	0.4
203.05334	1.5
217.09747	0.3
229.08438	0.4
259.07986	1.2
277.11996	0.4
304.38614	0.4
309.16794	1.6
337.01892	0.6
347.09616	1.2
365.10605	2.7
395.88528	0.4
398.70465	0.3
421.13300	1.3
437.12656	0.4
446.93332	0.3
471.22000	21.3
472.22504	1.9
495.13223	1.2
497.14697	0.5
532.91339	0.4
597.24738	0.4
633.27301	100.0
634.27771	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	633.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05525	1.6
57.03429	0.6
57.07082	0.4
63.57118	0.3
63.78261	0.4
67.05511	2.8
69.03428	0.4
69.07061	1.1
71.05035	0.4
79.05493	2.9
81.03433	1.6
81.07067	3.5
83.04999	1.0
83.08621	0.9
85.02898	1.1
91.05479	3.3
93.07047	2.6
95.04971	2.1
95.08624	1.4
97.06540	0.6
97.10217	0.9
98.35933	0.3
105.07023	2.3
107.05020	0.4
107.08621	1.8
109.06552	0.8
109.10152	1.1
111.04450	0.4
111.08068	0.9
115.05493	0.5
115.25961	0.3
117.07087	0.5
119.08597	2.5
121.10147	1.8
122.76298	0.4
123.08085	1.4
123.11691	0.3
125.05972	0.4
125.09677	0.9
131.08571	1.1
133.10181	1.0
137.09642	0.5
139.03630	0.4
142.07813	0.4
143.08565	0.6
145.10133	1.3
147.08118	0.6
147.11694	1.2
149.09691	0.6
151.07550	0.8
157.10164	1.3
159.08102	0.4
159.11710	0.7
161.09653	0.5
163.11188	0.9
167.10718	1.0
171.11685	0.5
171.79543	0.3
175.11211	0.6
179.39999	0.4
181.12318	1.0
184.07298	0.4
193.12378	0.4
207.13867	0.5
209.11610	0.3
218.11330	0.3
221.15411	1.1
233.15419	0.4
251.12567	1.2
275.20157	0.4
307.15268	1.1
349.19867	7.7
350.20181	0.4
405.22495	5.3
420.09036	0.3
437.29089	0.4
612.59705	0.4
615.40643	0.6
633.36041	100.0
634.36365	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34239	0.9
51.06824	0.8
55.05513	2.6
57.07080	1.3
67.05499	3.6
71.04998	1.7
71.08626	2.2
71.29515	0.9
79.05465	2.3
81.03438	2.2
81.07055	5.7
83.08623	1.2
89.06042	1.1
91.05485	2.8
93.07030	2.6
95.08611	2.3
105.07042	2.3
107.08608	2.1
109.10178	1.6
119.08635	1.7
121.06532	1.5
121.10148	0.9
121.72720	0.8
129.48636	1.0
131.08588	1.9
133.08667	1.6
133.10078	1.1
168.04848	1.0
173.39598	1.0
179.14311	1.1
216.15125	1.0
219.66151	0.9
223.70621	1.1
283.15286	4.2
317.21039	7.0
339.17862	3.9
373.23563	3.2
492.37750	3.8
600.60120	1.1
602.93634	1.1
633.39709	100.0
634.40057	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	634.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.7
51.02382	1.7
53.00078	0.6
53.00293	0.5
53.03940	1.4
55.01871	2.5
61.02913	0.7
65.03938	0.5
68.99803	1.0
69.03420	2.3
70.92855	0.4
78.18447	0.4
78.67593	0.4
79.01855	8.9
79.05493	0.6
80.02176	1.3
81.03415	5.4
82.03754	0.7
85.02891	0.6
91.05479	0.6
95.04964	0.6
96.17456	0.5
97.02890	3.3
98.03205	0.4
105.03402	0.6
107.01338	1.9
107.04930	1.3
108.01659	0.5
109.02876	8.8
110.03210	1.7
119.04898	0.9
121.02850	1.0
121.06532	0.4
123.00813	0.9
123.04430	19.7
125.02357	3.6
126.02673	0.5
127.03917	7.7
128.04234	1.8
131.04922	0.5
133.02864	1.5
135.04398	2.7
137.02344	4.7
139.03918	3.5
141.01826	2.0
143.03395	8.6
144.03772	2.1
147.04408	5.0
149.02307	3.8
149.06041	1.0
151.03911	5.0
153.01828	100.0
153.02911	6.9
154.02167	25.2
154.03279	1.8
155.02258	0.8
161.02335	1.7
163.03885	6.0
164.04224	0.6
165.01831	34.9
165.05502	2.7
166.02208	1.0
167.03291	0.5
169.79401	0.5
173.02345	0.6
175.03885	1.0
177.01833	8.1
177.05475	3.9
179.03404	6.3
180.03810	0.5
183.01266	0.8
183.02890	13.8
187.03732	0.4
189.01900	2.4
189.05460	0.5
190.02225	0.8
191.03392	7.8
192.03894	0.6
193.01288	0.9
193.04909	0.5
195.02847	0.8
203.03397	1.4
205.01349	5.1
205.04982	5.6
206.01613	0.4
207.02893	4.0
208.03151	0.6
215.03432	1.2
217.01340	3.0
218.01718	1.8
219.02925	1.8
220.03308	0.5
221.00934	1.9
221.04463	4.6
222.01254	0.6
223.02379	6.0
231.02812	0.7
233.04434	10.1
235.02367	5.2
236.02686	2.0
237.03806	0.6
245.00789	2.7
245.04509	0.4
246.01160	1.4
247.02264	1.1
248.02875	0.6
249.03935	6.2
261.03784	0.6
263.01837	1.8
264.02188	1.1
265.03156	0.4
267.04987	8.7
267.07690	0.9
268.05170	0.7
273.00250	2.1
274.00735	1.4
275.01755	0.8
277.03406	7.1
283.89511	0.4
288.28217	0.4
291.01367	0.8
292.01822	0.7
295.04492	10.8
296.04892	0.9
297.06223	0.7
302.00046	0.7
303.01297	0.5
307.04526	0.7
313.05524	76.3
314.05838	3.9
319.00824	4.9
320.01208	5.4
337.01859	1.0
338.02103	1.5
339.03241	1.0
341.06595	0.6
411.07190	0.6
429.08148	2.0
445.04224	2.0
446.04416	4.2
447.04208	0.5
447.09317	7.0
448.09323	0.6
464.05246	0.8
579.80115	0.4
607.24609	0.4
634.07385	1.2
635.08246	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	635.0881
Annotation	Strictinin
Peak:m/z	Relative Intensity
50.01601	0.4
51.02377	0.9
53.00322	0.2
53.03947	0.3
55.01881	1.0
61.29320	0.1
69.03429	0.4
69.81353	0.5
69.81684	0.1
70.06606	0.2
71.05003	0.4
79.01856	7.4
80.02202	0.2
81.03422	1.3
91.01921	0.1
91.05479	0.2
97.02905	1.4
99.04457	0.3
103.05487	0.2
107.01309	1.6
107.04952	0.2
107.37556	0.1
109.02890	0.8
119.04917	0.2
124.05441	0.2
124.87703	0.2
125.02363	2.9
127.03925	18.3
128.04242	0.5
131.04985	0.2
133.02892	0.2
135.04390	0.2
143.03407	7.6
145.04991	0.2
147.04422	0.5
153.01839	100.0
153.02910	6.2
154.02164	2.6
154.03358	0.1
155.02339	0.2
159.04425	0.3
163.03888	1.1
165.01877	0.3
175.03926	0.3
177.01854	0.2
177.05563	0.3
179.03378	0.2
181.01312	0.2
181.04834	0.2
187.03946	0.2
189.05450	0.2
191.03409	2.2
193.01360	0.3
193.04988	0.2
195.02927	0.9
201.01839	0.2
203.03386	0.7
205.01300	0.4
205.04961	0.7
205.06647	0.1
207.02980	0.3
217.04866	0.2
219.02913	2.4
221.00801	1.9
221.04298	0.2
223.02528	0.3
231.02882	1.0
231.06557	0.1
233.00848	1.2
233.04367	1.2
237.03952	0.2
239.01898	0.9
247.02371	2.1
248.02876	0.2
249.03958	0.3
257.00903	0.4
259.02420	1.1
261.03949	3.0
261.06659	0.2
265.03366	0.2
275.01883	3.0
276.02444	0.3
277.03418	1.1
278.26904	0.1
278.44495	0.2
279.05008	0.6
285.00400	0.2
293.02930	0.4
303.01273	1.4
307.06586	0.3
321.02393	0.6
339.03491	3.5
340.03943	0.2
346.87878	0.1
363.09296	0.4
381.04257	0.2
447.05518	0.7
465.06708	0.3
491.04990	0.2
635.08777	3.2
636.08911	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	635.0881
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
50.01600	0.6
50.35532	0.4
50.50096	0.2
51.02382	0.8
53.00303	0.3
53.03942	1.1
55.01869	0.9
57.03441	0.3
66.00397	0.3
69.03436	1.5
71.04985	0.4
73.02900	0.3
79.01860	6.1
81.03422	8.3
85.02912	0.7
85.48357	0.3
87.00829	0.2
88.11284	0.4
91.05445	0.6
97.02892	3.9
99.04456	1.1
103.05482	1.0
105.03407	0.3
107.01322	1.5
109.02885	5.4
119.04922	0.5
121.06515	1.4
125.02339	2.6
127.02944	0.4
127.03920	8.0
128.04272	0.3
129.03351	0.3
131.04965	0.7
143.03406	6.0
144.03734	0.3
145.04970	0.4
147.04475	1.2
153.01834	80.6
153.02901	4.4
154.02200	2.8
155.02348	0.5
157.02852	1.8
159.04521	0.4
163.03905	1.0
165.01869	0.3
171.02867	1.5
173.02394	0.6
175.03909	2.4
185.02368	1.7
187.03903	5.2
191.03421	2.0
193.01343	0.4
194.17035	0.3
201.01836	1.2
202.02544	0.4
203.03410	4.6
205.01384	0.3
207.02914	0.4
213.01852	3.5
215.03380	4.2
217.01289	0.3
219.02931	1.7
221.00839	2.2
229.01355	0.7
230.02191	0.3
231.02895	19.1
232.03258	1.1
233.00894	0.6
239.01782	0.7
241.01297	3.4
247.02386	2.3
257.00824	0.9
259.02393	31.3
260.02716	1.7
261.03973	0.6
275.01825	3.1
276.02673	0.6
277.03436	100.0
278.03790	5.3
285.00204	0.4
289.03394	0.5
293.02875	0.3
297.06128	1.2
303.01364	13.2
304.01559	0.8
315.07141	0.4
321.02396	3.0
339.03375	2.4
339.80908	0.3
409.33078	0.3
447.05222	1.0
465.06613	0.7
475.20090	0.3
613.03326	0.6
617.07007	0.6
635.08826	2.8
636.08453	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	635.0881
Annotation	Strictinin
Peak:m/z	Relative Intensity
50.01590	0.6
51.02199	0.1
51.02386	1.2
53.00299	0.3
53.03953	1.1
53.11180	0.1
55.01868	1.1
57.03431	0.2
69.03431	1.4
71.04994	0.4
79.01857	7.4
79.05463	0.2
81.03423	7.0
81.08891	0.1
85.02913	0.9
87.00809	0.2
91.05476	0.3
95.01294	0.2
95.54893	0.1
97.02895	3.0
99.04465	0.7
103.05462	0.5
107.01336	1.8
107.04966	0.2
109.02888	5.4
115.46191	0.1
119.04959	0.4
123.00810	0.3
125.02357	3.8
127.03927	8.1
129.03320	0.2
131.04895	0.4
137.02377	0.2
137.04782	0.2
139.03844	0.2
143.03412	7.8
145.02873	0.2
147.04431	0.7
153.01839	100.0
153.02911	6.3
154.02167	3.1
154.03394	0.2
155.02312	0.2
157.02861	0.5
159.04388	0.3
163.03972	1.0
165.01892	0.5
165.05499	0.2
171.02904	1.2
173.02409	0.2
175.03906	1.0
177.01878	0.4
179.03436	0.3
185.02342	0.6
187.03928	1.6
191.03412	2.6
193.01350	0.7
201.01927	0.5
203.03423	2.0
205.01382	0.3
205.05052	0.3
213.01918	1.4
215.03368	1.7
219.02904	2.5
220.03476	0.2
221.00839	3.4
221.04314	0.2
223.02405	0.3
229.01311	0.4
231.02888	7.6
233.00771	1.0
233.04430	0.3
235.02504	0.2
239.01813	1.0
241.01305	1.3
247.02423	2.4
249.03981	0.3
257.00882	0.5
259.02402	10.3
260.02805	0.5
261.03833	0.7
265.03375	0.2
269.04486	0.3
275.01852	4.4
276.02545	0.6
277.03445	30.2
278.03809	1.5
285.00507	0.3
289.03391	0.9
293.02774	0.4
297.06219	0.5
299.02194	0.2
301.03674	0.2
303.01376	5.9
304.01694	0.2
313.03485	0.4
315.01578	1.1
319.00983	0.2
321.02396	1.5
323.01971	0.2
339.03482	3.2
340.03699	0.3
341.02991	0.2
343.04666	0.3
345.02493	0.6
359.03876	0.2
363.03674	0.3
367.04620	0.3
373.25690	0.2
381.04388	0.2
385.05371	0.4
387.03482	2.2
411.03497	0.5
429.04572	0.4
447.05585	0.7
465.06714	0.7
617.07666	0.3
635.08801	5.6
636.09143	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	635.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35543	0.4
51.02391	1.2
52.07867	0.4
52.51703	0.4
53.03940	0.7
55.01869	0.5
69.03422	2.0
79.01863	6.0
81.03421	2.3
85.02879	0.4
97.02889	2.1
103.05497	0.8
107.01310	1.4
109.02888	1.4
125.02386	3.0
127.03951	2.8
131.04929	1.1
139.03905	0.9
143.03404	5.9
143.18942	0.3
147.04424	1.5
151.03912	0.3
153.01837	80.9
153.02931	5.5
154.02129	2.0
157.02910	0.7
159.04411	0.7
163.03831	0.5
171.02878	0.9
175.03938	1.9
177.05595	0.4
179.03355	0.6
185.02373	1.0
187.03929	4.6
191.03400	0.9
199.82788	0.4
203.03410	4.4
205.05003	0.7
213.01791	3.5
215.03418	4.0
219.02933	0.6
231.02888	19.3
232.03204	0.8
233.04477	1.0
237.03940	0.7
241.01288	3.4
247.02353	1.0
259.02396	26.0
260.03018	0.9
261.04010	1.3
269.04541	0.4
275.01855	1.3
276.02567	0.4
277.03442	100.0
278.03763	3.7
279.05081	0.8
286.86099	0.4
287.05487	6.0
297.06122	1.7
303.01367	9.2
311.07544	0.8
315.01559	0.5
315.07144	0.9
321.02411	1.3
387.03430	1.0
465.07260	0.4
617.07538	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	635.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91936	1.1
67.05508	3.2
68.91819	1.2
79.05503	1.3
80.77516	1.2
81.07079	2.0
83.19981	1.2
84.87194	1.1
87.01199	1.2
93.07062	1.5
95.08617	2.0
105.07098	1.2
107.92782	1.3
109.10211	1.4
121.10140	1.4
133.10123	1.8
161.12703	1.2
175.81090	1.1
403.19388	2.2
417.21387	2.6
418.21613	2.1
430.17966	2.1
431.18103	7.4
432.19382	3.1
433.23825	2.3
445.20242	5.2
446.20883	2.5
447.21539	2.4
459.22076	3.5
460.22638	3.9
461.23358	4.2
473.19421	1.5
488.21887	2.6
489.22891	4.0
518.22913	1.8
519.23059	1.3
533.22113	1.4
547.26929	5.1
575.26556	19.9
576.26605	2.6
607.29791	1.6
635.28680	100.0
635.38232	4.7
636.28870	17.0
643.02039	1.5
644.34991	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	635.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	1.7
65.70779	1.7
67.05506	5.2
72.98302	1.6
78.76878	1.6
79.05511	3.9
81.03509	1.7
81.07082	4.1
91.05480	2.9
95.08622	2.7
209.46271	1.8
220.96536	1.9
386.34543	1.7
531.36438	7.1
635.39154	100.0
636.39563	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03437	0.7
67.05524	3.8
69.07078	1.1
69.85281	1.0
69.85632	1.0
71.08606	0.5
77.46679	0.5
79.05506	2.1
81.03435	0.8
81.07069	4.4
83.08620	0.6
87.56405	0.5
89.06032	0.6
89.92487	0.4
91.05499	1.3
93.07041	2.7
95.04929	0.6
95.08599	2.0
97.06506	0.4
105.07049	1.0
107.08605	1.1
109.10181	0.9
119.08600	0.6
121.10159	1.1
131.08572	0.7
133.10210	0.6
147.11789	0.5
157.10114	0.8
175.11133	0.5
180.83289	0.5
209.93295	0.4
267.15707	0.6
283.15152	11.6
319.22293	0.9
335.22031	0.7
339.17776	5.0
345.09097	0.4
375.25223	1.0
457.02292	0.5
504.12360	0.5
564.55560	0.5
635.41284	100.0
636.41620	12.9
641.67114	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	636.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.3
51.02375	0.8
53.03945	1.3
55.01876	0.4
61.92366	0.3
67.07037	0.3
69.03430	0.3
69.16634	0.7
69.17042	1.0
70.06583	0.3
77.03905	0.4
79.01855	1.8
79.05490	3.4
81.03427	2.5
82.03744	0.4
91.07827	0.3
95.04986	1.3
97.02887	0.7
103.05479	3.1
104.05786	0.3
105.07031	100.0
106.07356	2.8
107.01327	0.4
109.02892	2.3
110.03220	0.8
112.07570	0.4
121.06506	0.4
122.09669	44.6
123.09982	1.4
125.02369	1.0
126.02692	0.3
127.03920	5.2
128.04285	1.4
143.03391	2.3
144.03693	0.5
147.04382	0.4
148.04739	0.3
153.01831	22.4
153.02884	1.2
154.02168	6.9
154.03333	0.4
155.02299	0.6
156.30746	0.3
158.03256	0.3
175.03856	0.4
187.03877	0.8
188.04279	0.4
191.03415	0.9
192.03780	0.4
195.41391	0.3
203.03378	1.1
204.03635	0.3
213.01782	0.5
214.02213	0.4
216.03717	0.4
219.02887	0.7
220.03276	0.4
221.00865	1.2
222.01207	0.6
231.02853	2.5
232.03275	1.8
233.00842	0.5
239.01923	0.3
242.01845	0.3
247.02412	0.8
248.02705	0.5
259.02399	3.6
260.02692	3.2
261.03122	0.3
275.01846	1.0
276.02332	0.9
277.03436	11.1
278.03763	10.4
279.03967	1.0
303.01437	0.8
304.01657	1.0
321.02460	0.7
322.02655	0.4
339.03439	0.8
340.03827	1.1
448.06027	0.4
466.06934	0.4
597.32141	0.3
636.09418	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	636.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53943	0.9
51.62596	1.0
53.03956	2.3
55.01876	2.8
55.05513	11.0
57.03451	11.7
57.54004	1.0
58.85035	1.0
59.05005	4.1
61.02931	4.2
65.03938	1.9
67.05511	69.5
69.03429	3.3
69.07074	5.4
69.50388	2.9
69.50797	3.0
71.05008	3.9
72.27225	1.0
75.56445	1.1
79.05495	13.1
81.03424	37.8
81.07061	23.0
81.92786	1.1
83.04995	9.8
83.08624	16.6
83.09070	1.9
84.08986	1.3
85.02916	16.2
85.06552	2.4
91.05493	21.9
91.06027	2.1
93.07047	13.1
95.04974	14.9
95.08624	8.8
97.02908	3.4
97.06557	3.0
97.10172	3.3
99.08092	1.7
105.07042	12.4
107.04958	2.7
107.08614	5.3
109.02892	1.8
109.06528	2.7
109.10165	60.1
110.10486	1.7
111.04456	1.8
111.08089	8.8
119.08589	15.1
121.06510	1.6
121.10111	6.9
123.08103	1.7
127.03913	1.8
129.06967	5.6
131.08559	7.6
133.10149	5.2
137.09668	3.5
142.07802	1.5
145.10167	1.9
147.08017	2.6
147.11711	8.4
149.09645	3.5
155.10674	2.9
157.10153	8.8
165.12772	1.9
173.11743	16.5
175.11226	9.5
193.12257	25.3
194.12633	1.4
211.13310	43.5
227.12794	1.7
229.14372	61.8
230.14691	2.6
267.15967	14.3
285.16977	31.4
286.17310	1.7
358.43988	1.3
421.25815	14.7
422.26172	1.9
439.26941	100.0
440.27386	10.2
590.04797	1.3
637.32098	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	636.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01868	2.3
55.05518	11.5
57.03445	13.5
59.05000	3.2
61.02929	2.6
65.03936	2.3
67.05509	75.1
69.03440	4.5
69.07066	5.6
71.04990	4.7
77.45055	1.4
79.05497	14.5
81.03428	39.0
81.07060	26.7
83.05000	8.5
83.08627	20.0
85.02908	16.0
85.06576	3.4
89.31120	1.4
91.03999	2.4
91.04971	2.1
91.05487	24.2
93.07060	12.1
95.04977	14.9
95.08608	9.7
97.02888	7.3
97.06551	2.8
105.07047	12.6
107.04973	5.2
107.08630	7.0
109.02878	1.9
109.06523	1.7
109.10168	56.7
110.10532	1.7
111.08094	7.4
117.07016	2.2
119.08590	15.2
121.06522	3.8
121.10152	5.0
125.09595	2.4
127.03974	1.8
127.11186	1.8
129.05580	1.8
129.06996	4.2
131.08542	7.3
133.10136	4.9
137.09634	5.2
145.10123	2.9
147.08113	2.3
147.11667	6.7
149.09637	3.1
153.01888	2.1
155.10703	4.1
157.10164	8.2
165.12784	2.9
173.11751	15.4
175.11197	9.5
193.12236	21.5
197.13040	1.6
202.40778	1.5
211.13301	42.9
212.13654	2.0
229.14360	62.9
230.14696	3.0
267.15964	13.4
285.13837	2.3
285.16983	33.8
349.34680	1.6
421.25909	14.5
439.26923	100.0
440.27127	9.5
618.31470	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	636.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37695	0.6
51.46700	0.6
53.03980	0.8
57.03445	0.8
57.07077	20.4
58.13073	0.6
64.63174	0.6
65.03928	1.3
67.05505	29.7
69.07065	13.5
69.07421	1.0
69.65430	1.4
69.65810	1.4
71.04999	3.6
71.08635	15.8
72.37792	0.6
75.45103	0.7
75.46684	0.6
79.05492	6.0
81.07055	46.5
82.07398	1.0
83.04987	1.5
83.08620	8.5
85.06557	7.4
85.10187	9.0
89.42419	0.7
91.05470	3.5
93.07047	3.5
95.08610	50.0
97.06535	1.6
97.10179	3.8
98.98471	0.9
99.08129	1.5
105.07046	3.6
107.08578	1.8
109.10178	5.5
111.11745	0.8
119.08562	3.5
121.10149	2.5
123.11703	3.6
137.13287	2.6
147.11684	6.1
152.46249	0.5
155.01086	0.9
165.12773	3.4
183.13869	1.8
201.14844	1.3
208.16963	8.5
226.17958	7.4
239.23730	2.4
257.17523	2.5
282.27930	2.1
306.14764	3.2
313.27466	3.8
324.15692	1.4
337.02493	1.0
362.17319	1.8
378.16687	0.7
380.18204	4.6
495.40451	100.0
496.40768	10.9
581.23987	1.6
618.41125	8.6
619.41962	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	637.1037
Annotation	1,4,6-Trigalloylglucose
Peak:m/z	Relative Intensity
50.01596	0.3
51.02378	1.1
51.97585	0.1
53.00311	0.2
53.03946	0.4
55.01868	0.3
69.03433	0.4
70.06576	0.1
71.29354	0.1
72.08186	0.1
79.01857	5.6
80.02169	0.2
81.02985	0.2
81.03420	2.0
87.00819	0.1
97.02893	1.3
107.01301	1.1
109.02886	3.0
110.03242	0.2
119.29046	0.1
123.00806	0.2
125.02346	2.5
125.28762	0.1
126.02704	0.2
127.03918	1.2
131.04936	0.4
137.02365	0.1
143.03400	6.3
144.03767	0.2
153.01830	100.0
153.02852	5.1
154.02159	3.9
154.03398	0.3
155.02333	0.6
156.37741	0.1
159.04401	0.4
163.03854	0.3
165.01875	0.2
168.87885	0.1
171.02898	0.5
177.05522	0.2
179.07188	0.1
181.01305	0.2
183.02882	0.2
187.03925	0.3
191.03470	0.3
192.03786	0.1
205.04919	0.6
207.02783	0.1
215.03375	0.3
217.04988	0.3
219.02950	0.1
221.01085	0.1
223.00931	0.2
233.04460	1.2
237.03859	0.2
243.03006	0.2
261.04007	1.1
279.05048	0.6
279.52512	0.1
297.06012	0.5
341.04181	0.2
354.31696	0.1
405.22318	0.1
430.73242	0.1
449.07205	1.2
452.22110	0.1
458.82297	0.1
467.07574	0.2
619.08704	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	637.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02374	0.9
51.33084	0.1
52.82964	0.1
53.03933	0.2
57.03428	0.2
61.29941	0.2
68.99796	0.2
69.03439	0.2
69.44678	0.2
69.45091	0.6
73.52569	0.1
79.01856	5.5
81.03426	1.8
81.97872	0.1
87.00838	0.2
97.02888	1.4
107.01320	1.4
109.02887	3.1
125.02356	2.7
127.03931	0.9
131.04967	0.3
139.03911	0.5
143.03409	6.6
144.03793	0.2
153.01836	100.0
153.02852	4.8
154.02167	2.9
159.04395	0.4
163.03885	0.3
166.08679	0.3
171.02910	0.5
171.04233	0.1
177.05516	0.3
181.01366	0.3
187.04070	0.1
189.05269	0.1
197.00813	0.2
205.04982	0.6
213.03973	0.2
215.03362	0.2
217.05002	0.3
233.04442	1.2
237.03902	0.2
243.02908	0.4
261.03986	0.9
271.55707	0.1
279.04974	0.6
297.06000	0.4
319.49179	0.1
415.30081	0.2
449.07098	1.2
467.08377	0.2
619.08551	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	637.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.01109	0.2
51.02383	0.8
55.01877	0.3
69.03429	0.4
69.47402	0.6
73.32058	0.1
79.01855	6.4
80.02178	0.2
81.03416	0.8
87.00825	0.2
97.02890	1.3
107.01308	1.3
109.02882	1.1
121.06474	0.2
123.00819	0.3
125.02351	3.1
127.03905	1.3
128.37326	0.2
139.03938	0.2
143.03407	6.6
144.03705	0.2
153.01834	100.0
153.02901	6.2
154.02158	3.0
171.02835	0.2
205.04921	0.4
208.02905	0.2
213.03909	0.3
215.03345	0.2
233.04442	0.6
237.04088	0.2
261.03940	0.6
279.05093	0.7
285.08420	0.2
286.08875	0.2
297.06055	0.6
305.02728	0.2
329.07370	0.2
330.07626	0.2
449.07025	1.4
467.08029	0.4
499.45407	0.2
612.87634	0.2
635.56732	0.2
664.13385	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	637.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.5
51.02371	1.2
53.03947	4.8
55.01871	0.7
62.53617	0.2
65.03930	1.2
67.05502	0.4
69.18636	0.9
69.19057	1.3
77.03923	1.5
77.04287	0.3
79.05506	0.4
80.01369	0.3
81.03423	0.5
83.57693	0.3
91.05483	17.2
92.05802	0.4
93.07047	19.6
94.07401	0.4
95.04974	6.2
98.22583	0.4
103.05469	18.9
104.05798	0.6
105.04516	2.6
107.04958	1.6
108.02093	1.0
117.03395	1.4
119.04956	0.6
120.05712	0.5
121.06509	100.0
122.06838	2.3
123.02726	0.3
132.04422	0.4
135.03203	0.3
136.07578	0.8
137.05983	0.8
141.05486	0.8
144.04425	0.4
145.02847	1.8
146.06047	0.3
149.06010	0.8
150.05531	4.0
151.03914	50.7
151.04990	3.6
152.04276	1.2
152.07117	0.5
162.05508	0.7
170.02406	2.0
172.03917	0.5
174.05481	1.3
175.03922	2.7
176.07069	0.5
176.21014	0.3
177.05472	2.7
178.05002	3.5
182.82005	0.3
188.03387	0.4
192.06641	0.6
200.03447	1.7
202.05035	4.5
204.06628	2.0
211.40244	0.3
220.06053	1.6
230.04497	0.5
232.06071	4.9
245.05643	0.3
250.08679	1.4
255.08928	0.3
259.07120	0.6
264.06525	0.3
266.08212	0.7
268.06332	0.4
276.04901	0.4
278.08066	0.3
279.05365	0.3
280.06186	0.3
282.11542	0.4
283.08304	2.0
290.08206	0.5
291.05814	0.5
292.06305	0.4
293.06824	0.4
294.07599	1.4
294.11380	0.8
296.05624	0.6
298.10724	3.0
304.05988	0.4
306.07553	0.4
307.04996	0.4
307.08765	0.4
308.05463	0.4
308.08997	0.6
309.06439	0.5
310.07095	0.7
311.07797	1.8
318.07663	1.2
320.05585	1.1
321.06400	0.5
322.07120	1.8
322.10803	3.0
323.07941	0.4
324.05200	0.4
324.08716	0.4
324.12360	0.5
326.10275	7.5
327.10873	0.6
334.06870	0.4
336.08881	0.4
337.05481	0.4
338.06650	0.7
338.10205	0.4
339.07458	1.2
348.05188	0.4
350.10226	10.7
351.07123	0.4
351.10901	0.7
352.08139	6.5
352.11984	1.0
353.08566	0.5
354.09717	17.1
355.10092	1.4
362.06519	0.7
365.05392	0.6
366.06519	0.6
367.06808	1.8
368.11270	1.6
369.10806	2.1
379.06967	0.5
380.07718	2.4
381.08447	1.6
382.09186	5.3
394.09329	2.8
396.11957	0.4
424.12064	0.6
444.14651	0.6
446.15894	0.7
456.14474	2.0
459.90530	0.3
472.13812	0.5
474.15500	11.2
475.16150	1.0
485.17142	1.9
487.18402	0.7
489.16553	15.6
490.16772	1.6
500.13391	2.9
501.13956	0.6
502.14914	4.0
503.16675	0.4
513.16632	0.7
517.16058	18.1
518.16260	2.2
531.17700	0.8
609.22321	26.8
610.22589	3.2
637.21857	21.0
637.29883	0.5
638.22113	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	637.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80642	0.4
53.03940	0.6
55.01892	0.4
55.05510	1.8
57.03442	2.3
61.02928	3.6
65.62052	0.4
67.05507	7.4
69.03436	2.7
69.07066	1.4
71.01371	0.7
71.05002	1.2
71.27786	0.6
73.02921	2.2
79.05501	5.9
80.05842	0.5
81.03423	2.7
81.07070	4.7
83.04982	1.4
83.08627	0.8
85.02918	4.2
85.06551	0.7
91.03972	2.3
91.05486	3.7
93.07055	6.6
95.04987	1.6
95.08599	1.6
97.02912	4.0
97.06543	1.4
97.10177	1.2
99.04472	0.5
99.16348	0.4
101.02415	1.4
105.07048	1.7
107.04951	0.7
107.08598	3.2
109.02911	0.7
109.10161	2.0
117.07011	0.7
119.08587	1.6
119.44098	0.4
120.33088	0.4
121.06556	0.5
121.10143	1.1
123.08105	0.6
127.03952	1.7
129.07024	0.5
131.08578	0.7
133.10136	1.0
134.60732	0.4
135.11690	5.4
145.10175	1.6
147.11671	1.1
163.11205	0.9
171.11723	0.8
181.12248	0.9
207.13747	0.5
221.11589	1.4
243.08434	1.9
255.16014	0.8
255.35115	0.4
269.03815	0.4
277.14047	0.6
281.17557	1.6
326.82816	0.4
413.17896	1.2
439.19382	12.2
440.20148	0.9
465.20990	1.5
475.30414	1.7
520.29761	0.5
619.34857	0.6
637.31891	100.0
638.32257	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	639.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85707	0.2
55.01873	9.4
57.03439	2.4
59.04974	0.3
61.02938	1.9
68.99770	0.5
69.03086	0.4
69.03432	5.7
69.19136	1.1
69.19546	0.4
71.01351	1.0
81.03425	0.3
85.02909	6.4
87.04465	1.0
93.03407	0.3
97.02892	7.1
98.22647	0.5
102.80897	0.2
109.02895	0.3
111.00801	1.2
115.03934	15.8
116.04260	0.3
121.02869	1.0
123.04416	0.3
127.03915	1.2
135.04341	0.3
137.02353	3.5
149.02319	0.6
153.01833	5.2
153.35701	0.2
155.04884	0.3
157.04982	0.4
161.05980	0.5
163.03891	0.6
165.01837	2.3
166.02652	0.3
169.39534	0.2
173.06023	0.5
175.03792	0.4
175.06033	8.7
176.06340	0.2
183.02898	0.8
183.04378	0.3
195.03127	0.3
201.05482	2.1
213.05367	0.3
216.72806	0.2
219.06529	0.4
229.04932	4.5
247.05913	0.5
257.04468	3.3
274.04758	0.6
285.03934	1.6
303.04987	100.0
304.05338	6.4
315.04968	0.4
345.06018	0.9
381.05972	0.4
465.10309	9.3
466.10547	0.8
477.10196	0.5
639.21045	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	639.1556
Annotation	Herbacetin 7-(6''-quinoylglucoside)
Peak:m/z	Relative Intensity
52.05929	0.3
55.01873	0.9
55.14774	0.3
57.03434	1.0
61.02925	0.6
68.99799	0.8
69.03434	18.9
69.50749	1.5
70.03770	0.4
71.01376	0.4
76.78892	0.3
81.03411	0.6
85.02909	6.0
97.02893	16.1
98.03230	0.4
98.23345	0.4
109.02869	0.8
111.00799	1.0
115.03934	11.7
115.39140	0.3
116.04269	0.3
121.02873	1.0
123.04499	0.3
127.03939	0.6
133.02756	0.3
137.02347	3.3
142.71008	0.3
146.06052	0.3
149.02357	0.5
153.01819	4.9
153.02979	0.5
157.04927	1.2
163.03929	0.9
165.01843	1.9
166.02679	0.3
173.06012	0.5
175.06039	7.9
183.02902	0.8
183.04387	0.4
201.05569	1.8
219.00381	0.3
229.04955	4.4
247.06006	0.8
257.04489	2.8
274.04840	0.9
285.03986	1.2
303.04990	100.0
304.05328	5.6
315.04944	1.1
345.06171	0.7
465.10321	6.9
466.10724	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	639.1556
Annotation	Herbacetin 7-(6''-quinoylglucoside)
Peak:m/z	Relative Intensity
53.03928	0.3
55.01876	0.4
57.03423	0.7
57.73812	0.3
59.81796	0.3
61.02922	0.7
62.80524	0.2
66.52893	0.3
68.99799	0.4
69.03430	18.6
70.06596	0.3
71.30434	0.4
81.03409	0.3
84.46844	0.3
85.02415	0.5
85.02901	4.3
87.04457	0.5
95.04958	0.3
97.02895	13.4
108.15450	0.3
109.02910	0.4
111.00808	1.2
115.03156	0.5
115.03934	9.0
121.02879	1.1
123.04404	0.5
127.03921	0.7
137.02339	3.2
137.05988	0.5
149.02342	0.5
153.01826	4.1
153.05278	0.3
154.02141	0.3
157.04985	0.9
163.03929	0.7
165.01831	2.1
175.06023	4.2
175.23030	0.3
183.02902	0.8
187.03944	0.4
201.05469	1.5
229.04958	3.8
247.06056	0.5
257.04465	2.7
274.04715	0.4
285.03912	1.5
303.04987	100.0
304.05301	6.2
315.04974	1.5
323.86554	0.4
381.05997	0.7
399.07208	0.3
465.10257	5.7
466.10568	0.5
474.99377	0.3
518.42639	0.3
567.45374	0.3
639.08759	0.6
639.22394	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	639.1558
Annotation	Herbacetin 7-(6''-quinoylglucoside)
Peak:m/z	Relative Intensity
50.25041	0.2
55.01879	7.7
57.03448	2.0
61.02925	1.0
63.46648	0.2
65.03920	0.3
68.99799	0.6
69.03440	5.4
71.01358	0.5
80.34223	0.2
80.86501	0.3
81.03423	0.4
85.02916	3.4
87.04472	0.7
93.03374	0.3
95.04977	0.4
97.02904	5.3
107.22773	0.2
109.02891	0.3
111.00820	0.9
115.03942	13.3
116.04297	0.5
121.02883	0.9
123.04407	0.5
127.03923	0.9
137.02344	4.0
137.05984	0.4
139.03908	1.8
140.04242	0.5
145.06529	0.3
149.02339	0.4
153.01848	5.6
153.02980	0.3
154.02197	0.3
161.06006	0.4
163.03920	0.9
165.01859	2.1
173.06020	0.3
175.06047	3.5
177.05583	0.3
182.69905	0.3
183.02962	0.8
187.03925	0.3
195.02832	0.3
201.05525	1.7
204.06583	0.3
219.06573	0.3
229.05002	4.2
247.06145	0.8
257.04456	2.7
274.04681	0.5
285.04016	1.3
303.05008	100.0
304.05341	6.9
315.05011	0.6
315.08420	0.4
331.08261	0.4
345.06061	0.9
353.06622	0.3
381.06079	0.8
399.07349	0.5
459.09326	0.3
465.10367	5.4
466.10696	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	639.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03438	1.7
59.04994	0.4
61.02934	1.6
69.03434	24.8
69.40413	2.0
71.01342	0.4
71.04991	0.4
73.02905	0.9
81.03421	1.3
85.02911	14.2
87.04460	1.3
91.03943	0.6
95.04944	0.6
97.02896	17.8
98.22684	0.6
99.04444	0.8
109.02908	1.8
111.00809	0.9
115.03936	13.3
118.46948	0.4
121.02873	0.9
121.06476	0.4
123.04452	0.4
127.03934	2.3
135.04419	0.6
137.02374	2.6
145.05032	1.6
146.87811	0.3
149.02448	0.4
151.03911	0.4
153.01846	4.6
157.04959	1.2
163.03949	0.8
165.01842	1.3
175.06033	7.2
175.07376	0.3
177.05496	0.4
183.02954	0.8
201.05479	2.0
205.04759	0.6
229.04982	3.8
230.10948	0.3
247.06012	0.7
257.04520	2.2
274.04773	0.5
285.04007	1.3
301.03555	0.5
302.04288	1.0
303.04996	100.0
304.05362	5.8
315.04929	0.8
331.08310	0.7
345.05975	1.6
381.06180	0.4
387.42389	0.4
465.10379	7.8
466.10809	0.8
608.93732	0.4
639.09290	1.2
639.20508	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	639.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.4
51.02376	1.0
53.03949	3.6
54.45669	0.4
55.01876	0.8
55.05512	1.0
57.03428	0.4
57.32829	0.4
65.03942	0.7
67.05495	1.2
69.07068	0.4
70.49406	0.7
77.03921	0.8
79.05486	1.5
81.03426	1.9
81.07060	0.8
83.08619	0.6
87.60720	0.4
91.05483	12.8
92.05782	0.6
93.07048	18.0
95.04976	5.5
96.85815	0.4
103.04785	0.8
103.05472	14.7
105.04501	1.7
105.07047	1.0
107.04965	0.5
107.08551	0.6
117.06978	0.5
119.04991	0.5
119.08575	0.6
121.06509	100.0
122.06811	3.0
123.08070	0.4
131.08585	0.6
135.07980	0.5
147.11649	0.4
151.03917	15.0
151.05016	1.3
152.04269	0.6
176.03371	0.6
193.12219	0.7
227.12769	0.6
232.06128	0.4
258.03961	0.5
267.15869	0.8
296.05319	0.5
311.07996	1.0
316.21323	0.4
321.06580	0.5
322.06970	0.6
324.05447	0.7
326.13776	0.4
338.06494	0.5
339.07919	1.2
350.06543	1.1
351.07092	0.4
352.11871	0.4
360.24356	0.5
364.08395	0.5
367.06915	3.1
381.08499	0.9
382.09183	17.2
383.09515	1.1
459.27426	1.1
476.17010	1.4
477.28461	0.5
486.65033	0.5
489.20184	4.2
502.14969	43.7
503.15186	4.3
515.17963	1.5
560.37769	0.4
584.26770	0.5
639.23035	4.0
639.32764	0.7
640.23364	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	639.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03958	2.3
54.07076	0.4
55.01845	0.5
59.26246	0.3
65.03931	0.4
67.05512	0.8
79.05482	0.5
81.03400	1.4
81.07052	0.5
91.05482	7.5
92.05832	0.4
93.06472	0.6
93.07047	9.3
95.04977	2.9
98.23436	1.0
100.69505	0.4
103.05464	7.6
105.04503	0.7
109.02869	1.0
114.76371	0.4
121.06509	100.0
122.06845	3.0
133.44763	0.4
138.09160	0.6
177.05548	0.4
186.05566	1.1
214.05029	1.1
230.09778	0.4
238.99716	0.5
242.04518	3.5
253.04922	0.4
307.02304	1.0
322.04810	0.9
335.01990	0.6
350.04147	4.7
362.10239	7.5
363.10873	0.4
365.06558	16.4
366.06888	1.6
379.12991	1.0
379.23807	0.5
383.07648	2.0
411.13120	0.4
459.27386	0.7
499.18671	4.7
500.19131	0.5
502.14993	8.5
503.15396	1.4
639.22559	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	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
61.35868	0.7
78.50812	0.8
81.33409	0.9
91.05482	1.4
95.04991	1.1
95.08653	0.9
98.34823	0.9
405.17023	1.5
406.17163	1.3
407.18649	2.0
421.20367	6.9
422.20853	1.3
423.21689	1.2
432.19577	1.5
433.16229	1.7
434.21658	1.3
435.12781	1.0
435.18359	3.7
436.22870	2.6
445.16614	1.0
448.18893	2.3
449.19601	10.4
450.20203	4.6
451.21649	1.2
459.17743	1.4
463.21707	5.6
464.22217	5.3
465.23221	1.5
475.21396	2.0
477.18958	5.7
478.19980	3.2
505.23019	1.3
521.21820	1.2
523.23285	1.9
533.22321	1.2
535.23828	4.3
536.23810	1.4
547.22882	1.6
550.25916	1.6
551.26483	2.5
554.33246	1.2
561.24701	2.7
564.23682	3.2
565.24652	3.5
579.26025	7.6
580.25818	1.1
595.25604	2.7
596.26068	1.2
621.27008	4.1
622.27014	1.5
624.25629	5.4
639.28119	100.0
640.28284	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	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.01869	5.5
55.05514	20.2
57.03438	9.8
65.03939	2.7
67.05508	29.4
68.72242	0.9
69.03433	13.3
69.07079	8.3
71.05001	8.1
71.29379	1.3
73.02939	1.2
79.05497	29.6
80.05865	1.0
81.03423	100.0
81.07060	30.2
82.03769	2.1
83.04989	18.6
83.08621	24.4
85.02909	24.4
85.06550	2.2
91.05487	35.0
92.05787	1.4
93.07051	20.9
95.04973	31.2
95.05559	1.7
95.08615	12.1
97.02901	15.3
97.06537	6.7
97.10175	8.1
99.04468	5.3
99.08096	1.8
103.03988	1.1
103.05508	1.3
105.07036	26.4
107.04959	8.8
107.08611	11.1
109.02869	12.3
109.06507	5.6
109.10172	4.3
111.04450	12.6
111.08086	11.3
113.06041	1.8
115.05474	2.0
117.07063	4.7
119.04958	1.2
119.08597	18.5
121.06508	5.2
121.10146	11.1
123.04457	2.2
123.08082	3.3
123.11755	2.3
125.09643	4.8
127.03927	8.3
128.04202	1.2
128.06226	1.5
129.05482	3.2
129.07010	11.6
131.04953	1.5
131.08543	11.0
131.09322	1.0
133.06494	2.7
133.10149	9.5
135.08055	1.7
135.11716	3.2
137.09621	1.5
142.07805	2.7
143.08662	2.1
145.06480	1.6
145.10167	3.6
147.04494	1.3
147.08089	4.1
147.11687	14.4
148.12125	1.2
149.09641	6.6
153.12793	2.3
155.08540	1.2
157.10133	10.8
161.06003	1.8
161.09593	1.6
163.11189	4.3
165.12770	5.8
173.04495	2.1
173.09630	2.3
175.11201	11.2
177.12801	1.3
181.12192	4.7
185.13217	1.1
189.11270	2.0
191.10712	3.2
193.12257	44.7
194.12634	1.7
195.30177	1.0
199.07796	1.0
209.11781	2.2
211.13303	71.6
212.13715	2.9
217.12215	1.1
227.12735	6.4
229.14386	1.5
231.13606	1.2
235.13306	2.1
249.14928	2.0
267.15936	21.7
273.14990	3.1
277.14456	1.2
283.15649	2.3
285.16959	11.9
286.17365	1.6
301.14456	4.6
305.34155	1.2
319.15506	1.5
337.16559	4.1
349.21729	1.4
355.17517	6.7
367.22861	2.7
375.18164	1.9
385.23956	3.9
393.19284	2.4
403.24637	1.6
411.20175	5.0
429.21341	2.7
459.27466	8.0
477.28458	13.0
495.29572	10.1
496.29996	1.6
573.30597	2.0
585.30621	2.6
603.31757	2.5
621.32697	8.6
621.58698	1.2
622.32355	1.6
639.33789	44.4
640.34436	6.3
653.11542	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	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
55.01874	6.4
55.05513	19.1
57.03443	9.5
57.07068	0.7
59.04986	0.9
65.03939	2.8
67.05508	29.6
69.03086	1.1
69.03431	13.7
69.07072	7.0
69.92641	1.4
69.92973	0.8
71.01337	1.0
71.04984	7.8
73.02921	1.4
79.05500	27.7
80.05814	0.8
81.03420	100.0
81.07059	31.1
82.03756	1.8
83.04991	17.5
83.08621	19.5
85.02911	23.6
85.06551	2.3
91.05487	36.3
92.05818	0.9
93.07045	20.1
95.04972	29.0
95.08604	11.0
97.02283	1.2
97.02896	16.0
97.06530	5.2
97.10170	5.9
99.04463	4.7
99.08099	2.2
101.02409	0.9
103.03952	0.6
103.05459	0.8
105.04506	0.9
105.07035	27.0
106.07360	1.0
107.04961	8.5
107.08596	10.5
107.09291	0.8
109.02892	14.2
109.06528	5.3
109.10165	4.6
111.04456	11.6
111.08084	11.4
113.06023	2.5
115.05479	2.8
117.07026	5.5
119.04958	1.3
119.08584	20.2
120.08922	0.9
121.06533	4.4
121.10153	9.8
123.04466	2.6
123.08081	2.7
123.11723	3.6
125.02363	0.7
125.06046	0.9
125.09633	3.7
127.03930	7.8
127.07602	0.9
128.06203	0.8
129.05496	2.1
129.07018	12.7
131.04929	1.6
131.08575	13.7
131.49181	0.6
133.06488	3.9
133.10141	11.0
135.04443	0.7
135.08084	1.9
135.11664	3.4
137.05984	1.4
137.09625	1.7
141.07013	1.7
142.07774	2.8
143.08591	2.3
145.06520	2.5
145.10107	4.3
147.04520	0.8
147.08087	4.5
147.11684	17.8
149.06018	1.6
149.09602	5.4
151.11223	1.3
153.09187	1.0
153.12798	1.9
155.08586	2.5
157.06471	1.0
157.10141	13.3
159.08064	1.4
159.11707	1.2
163.11186	5.2
165.12775	6.6
167.08531	0.8
169.10114	0.8
171.08098	0.9
171.11758	1.7
173.04478	2.0
173.09709	2.0
175.11194	13.6
181.10112	0.7
181.12268	2.8
183.06575	0.8
185.09676	1.3
189.05435	1.1
189.11232	1.5
189.12761	1.5
191.10652	4.1
193.12248	41.6
194.12628	1.7
199.11221	1.1
201.12851	0.6
205.12306	0.7
209.11771	1.4
211.13298	62.5
212.13707	2.4
213.12920	0.8
217.12219	1.1
223.13361	0.9
227.12650	4.7
229.14435	2.7
231.13788	0.8
235.13368	1.7
245.15501	0.8
247.13283	0.8
249.14948	2.1
255.13766	1.6
259.13290	1.5
265.14389	1.0
267.15912	24.4
273.14825	3.4
277.14505	0.9
283.15527	2.1
285.17014	15.1
289.14456	1.2
291.15924	1.2
301.14334	4.6
309.17120	1.8
319.15686	2.9
337.16391	3.4
339.23251	0.9
351.17725	0.7
355.17609	6.5
357.24075	0.7
367.22763	1.6
375.18262	1.1
385.23688	4.6
385.28040	0.7
393.19238	3.0
403.24805	1.7
411.20160	6.9
429.21283	3.5
459.27463	10.4
460.27740	1.1
477.28552	12.7
478.29266	1.2
495.29480	12.1
496.29828	1.2
511.28580	0.9
519.29718	0.9
561.30847	0.8
567.29651	1.0
573.30859	0.9
585.30798	2.2
586.31134	1.1
603.31732	3.0
621.32623	10.9
622.32758	1.5
639.33765	37.3
640.34265	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	639.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01873	21.0
55.02124	1.3
55.05509	24.4
57.03454	2.7
57.07095	1.3
62.26039	0.7
65.03946	4.2
67.05505	45.0
67.09525	0.8
68.05828	0.9
68.99799	0.8
69.03433	8.7
69.07067	42.8
71.28388	1.0
73.06565	1.0
77.03944	1.4
79.05494	42.0
80.05891	0.9
81.03421	7.9
81.07057	47.8
82.07395	0.8
83.04978	7.7
83.08626	10.4
85.34995	0.7
91.05483	48.5
92.05833	1.1
93.07045	32.5
94.07391	1.0
95.01324	7.7
95.04970	13.5
95.08610	27.1
96.08965	1.0
97.02893	4.8
97.06533	31.4
97.10161	7.6
99.08142	1.0
103.05459	1.9
105.03409	1.1
105.04554	1.8
105.07033	54.2
106.07407	1.9
107.04956	22.8
107.08593	20.7
109.06519	7.2
109.10148	11.0
109.10792	0.7
111.04474	1.4
111.08105	4.3
113.66199	0.7
115.05505	2.7
117.07019	13.9
118.07384	1.1
119.05005	2.1
119.08577	28.9
121.06507	6.7
121.10150	8.7
123.04449	1.3
123.08072	6.3
123.11735	1.7
125.09616	5.2
128.06276	1.2
129.07007	6.2
131.08568	18.3
131.09460	1.2
133.06493	3.7
133.10127	24.9
134.07364	1.3
135.04495	0.9
135.08054	4.4
135.10841	0.8
135.11668	5.0
137.06004	0.9
137.09711	2.5
139.07596	1.0
141.07030	2.1
143.08569	5.8
144.09389	0.8
145.06566	2.2
145.10112	12.2
145.11081	1.0
147.08015	5.4
147.11684	11.2
147.12708	0.8
148.11984	0.9
149.09613	6.2
149.13229	4.4
151.07571	1.0
151.11256	1.7
154.07774	0.9
155.08592	1.7
157.10213	4.2
159.08067	1.7
159.11688	10.7
159.12788	0.9
161.09708	3.5
161.13205	5.1
162.10321	0.8
163.11186	4.7
163.14824	0.8
165.09206	2.9
165.12755	0.9
167.10632	0.8
169.10185	2.8
171.11763	3.3
173.09695	1.4
173.13252	4.4
175.11179	5.9
175.14876	1.0
177.12766	4.4
179.14323	12.9
180.14658	1.1
183.11789	2.8
187.11250	1.8
189.11259	1.9
189.12790	1.4
193.12408	1.1
195.11804	1.1
197.13361	1.5
199.11317	0.9
205.12335	2.0
208.17010	0.9
213.16364	0.9
215.18124	0.9
223.13277	7.9
224.56595	0.9
225.11064	0.8
227.12877	2.2
229.19580	1.1
232.80722	0.8
233.15508	1.1
239.00496	0.8
239.18021	1.7
245.19122	1.0
247.20726	2.0
249.14919	3.7
255.17570	1.4
257.18973	5.5
265.23700	0.8
273.18497	17.0
275.20074	61.3
276.20386	4.0
279.16162	1.5
291.19543	52.2
292.19998	3.5
293.18225	1.3
293.20956	5.5
344.14020	0.9
347.22330	3.3
349.23843	2.9
365.23096	1.8
419.24741	1.3
422.25671	0.9
503.14749	0.7
515.31342	1.2
547.34003	1.4
563.34723	4.4
581.35773	4.0
603.38367	0.9
621.39423	7.6
622.39771	1.6
639.42114	100.0
640.42419	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	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.8
55.05508	29.8
57.03436	16.0
57.07078	59.0
67.05501	75.1
69.07066	37.2
71.08634	50.7
79.05493	47.1
81.03422	10.5
81.07056	93.3
83.04969	11.7
83.08615	29.0
85.10177	23.2
91.05471	38.9
93.07049	49.4
95.04971	14.8
95.08604	56.7
97.06533	12.0
97.10173	13.8
98.22628	11.2
99.08117	4.3
99.45162	4.5
105.07035	39.0
107.04977	5.9
107.08591	37.1
109.06509	4.8
109.10162	27.3
111.08092	4.5
117.07026	20.4
119.08597	28.1
121.10151	18.1
123.08090	6.8
123.11726	9.4
129.06943	6.0
131.08545	20.8
133.10121	31.2
135.08087	4.1
135.11685	15.0
141.14168	4.4
145.10117	15.7
147.11714	12.2
149.13237	8.0
157.10161	6.0
159.11694	12.2
163.11171	5.3
173.13231	7.5
177.12711	5.5
196.38670	4.7
206.09280	4.6
236.32289	4.5
239.18050	6.9
239.23712	7.6
255.15863	18.3
257.18994	12.3
264.08621	5.5
269.17480	22.1
275.20026	39.1
313.27298	84.6
349.23715	19.3
367.24707	5.5
493.38806	22.2
507.40454	100.0
508.40527	8.7
587.46368	11.8
591.86072	4.9
605.47626	8.2
653.99170	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	640.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
54.14942	2.6
55.05513	13.3
57.03443	9.0
57.07076	32.2
60.15104	2.6
64.55654	3.2
66.59863	2.6
67.05503	33.6
69.07066	19.1
71.08622	20.5
79.05504	25.6
81.07050	70.8
83.04991	3.6
83.08619	12.9
83.97543	2.3
85.10177	11.0
89.06047	2.5
90.77845	2.4
91.05479	23.5
91.96243	2.7
93.07058	19.8
95.04953	8.7
95.08607	32.7
97.06506	5.8
97.10170	5.8
99.08073	2.7
105.07033	19.7
107.04953	5.8
107.08624	14.3
109.06535	16.5
109.10151	13.4
111.08067	5.2
112.86880	2.5
117.07013	6.1
119.08583	14.6
121.06480	5.6
121.10139	9.2
123.08111	4.9
123.11709	5.9
131.08575	12.8
133.10112	8.3
135.11700	3.1
145.10086	12.3
147.11717	14.3
149.09622	6.5
149.13248	6.7
159.11652	5.8
161.13268	3.5
163.11198	6.8
163.14764	3.0
165.12689	4.8
171.11610	3.7
173.13271	4.1
201.51376	2.6
229.00360	2.8
229.19501	3.4
247.20697	4.4
257.18994	6.8
275.20047	61.8
276.20389	3.5
293.21027	17.1
311.25412	3.0
313.27350	100.0
314.27737	8.3
349.23758	20.6
367.24786	31.4
368.25073	4.6
507.40591	3.9
508.33231	2.9
587.46655	31.9
588.46777	5.8
605.47754	38.9
606.47449	6.1
641.51630	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	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67910	11.3
55.05504	24.1
57.03420	12.0
57.07071	26.4
59.36890	8.5
67.05508	29.6
69.07069	22.8
71.08642	26.0
79.05508	18.8
81.07049	33.1
83.04961	10.8
83.08619	26.6
85.10194	16.6
91.05483	21.1
93.07043	20.5
95.04983	43.6
95.08643	23.8
98.22572	23.2
105.07050	23.8
107.08611	24.9
119.08632	9.0
121.10168	15.6
126.27367	10.7
130.88225	10.0
131.08530	10.3
131.85608	12.6
145.10081	12.0
149.09601	18.1
163.11230	20.8
163.34903	9.0
175.39461	10.9
190.79271	9.2
193.12035	9.4
223.13319	28.1
229.06166	14.4
257.19122	15.5
275.20041	63.1
287.80444	9.0
293.21082	22.2
311.25824	13.2
313.27396	100.0
367.24734	24.4
404.93521	9.9
605.47699	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1347
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01881	0.2
57.03431	0.6
65.03931	0.2
68.99802	0.6
69.03428	0.3
70.06604	0.2
71.01361	1.0
71.29848	0.2
73.02920	1.8
81.03417	0.4
85.02908	5.6
93.03415	0.2
95.01334	0.8
95.04978	0.2
97.02890	0.5
99.00809	0.2
101.02364	0.6
101.02975	0.2
103.03957	0.4
109.02885	0.4
111.00809	0.7
113.02373	2.0
121.02843	0.9
123.04373	0.3
123.57961	0.2
127.03907	0.5
131.03416	1.4
134.67123	0.2
135.04390	0.2
137.02345	3.6
141.01816	1.1
145.04962	0.2
149.02322	0.4
153.01826	3.7
159.02905	0.9
161.05957	0.2
163.03937	0.5
165.01823	1.6
166.02687	0.3
173.05975	0.5
181.14629	0.1
183.02887	0.7
183.04375	0.3
191.03256	0.2
195.02913	0.2
201.05440	1.5
207.03032	0.2
213.05537	0.2
219.06581	0.2
229.04965	3.6
230.05130	0.2
247.06090	0.7
257.04425	2.6
258.04852	0.2
274.04700	0.8
275.05505	0.3
284.38037	0.1
285.03912	1.4
302.36237	0.1
303.04980	100.0
304.05307	4.6
304.08810	0.1
315.05017	0.2
317.06552	0.2
342.39505	0.1
345.05753	0.3
465.10300	5.5
466.10599	0.5
479.08112	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	641.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.03952	1.0
55.01849	0.3
55.27716	0.2
57.03427	0.4
62.01602	0.2
63.02361	1.3
64.47473	0.2
65.03958	0.3
68.99794	0.4
69.03425	2.7
71.04968	0.4
71.30646	0.2
71.31054	0.3
73.02948	0.2
74.10253	0.2
74.62962	0.2
77.03912	0.2
78.04708	0.4
79.05493	1.8
81.03420	8.2
85.02913	2.3
89.03918	18.0
90.04239	0.5
91.05482	1.6
92.43694	0.2
93.07053	0.6
95.04951	0.8
97.02888	0.7
99.04457	0.8
103.05472	0.9
105.03329	0.3
105.04510	0.2
105.07102	0.2
106.04139	0.5
107.04970	3.1
109.02879	2.7
111.00814	0.2
117.03381	32.8
118.03712	0.8
119.04926	1.0
121.02889	0.2
121.06507	3.5
127.03905	0.8
133.02911	0.4
134.03629	1.6
135.04417	20.4
136.04720	0.4
137.02341	1.7
137.05965	0.7
145.02849	66.3
146.03198	2.5
147.04405	3.0
149.05983	7.9
150.06488	0.2
151.03886	0.4
153.01846	1.3
158.06073	0.3
161.05965	0.4
162.03165	0.4
163.03906	100.0
164.04240	3.4
164.07071	0.3
165.01787	0.4
165.05441	0.2
173.05974	0.5
174.95656	0.2
175.03867	0.4
177.05470	90.5
178.05841	3.4
181.04939	1.2
183.02904	0.2
186.05424	1.2
187.03987	0.2
191.07158	0.3
193.87102	0.2
195.06528	1.1
200.04623	0.3
201.05391	2.6
204.04176	0.3
228.04170	1.1
229.04997	1.8
233.05977	0.2
235.07512	0.5
237.09218	0.4
239.35509	0.2
245.04440	0.8
247.05884	0.2
249.92879	0.2
256.03763	0.4
257.04501	0.9
257.62918	0.2
262.42999	0.2
263.07040	0.5
265.08536	0.6
273.03967	0.4
274.04736	2.3
275.04718	0.2
282.08868	0.5
285.03928	0.9
291.06427	0.4
297.11191	0.3
301.03439	5.9
302.04205	24.5
303.04965	18.0
304.05347	1.1
307.08151	5.4
307.11768	0.2
308.08322	0.3
317.06552	49.0
318.03513	0.4
318.06900	3.1
321.09702	5.3
322.10214	0.3
323.09146	2.1
325.09003	1.2
333.05975	0.8
334.06525	0.2
337.25119	0.2
339.10703	2.4
340.11032	0.2
460.17648	1.4
479.11896	3.2
480.11807	0.4
486.15552	1.2
488.17038	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	641.1504
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
52.44790	0.3
56.87593	0.4
63.02380	0.4
65.82549	0.3
68.99798	0.7
69.03427	0.6
69.66756	0.5
69.67147	0.8
70.06577	0.3
72.08148	0.3
78.04713	0.4
79.05502	0.4
81.03437	0.6
85.02889	0.4
86.09715	0.4
89.03922	7.2
91.05497	0.7
93.03365	0.4
95.05006	0.4
97.02833	0.4
98.06055	0.4
98.22697	0.6
103.05531	0.5
106.04173	0.3
109.02901	0.5
111.00838	0.4
115.08717	2.1
117.03384	20.0
118.03682	0.7
118.66927	0.3
119.02317	0.3
119.04943	0.3
121.02886	0.6
121.06534	0.3
131.04955	0.3
132.11325	2.3
133.73045	0.3
134.03624	1.2
135.04411	1.3
137.02350	2.0
139.03952	0.3
145.02853	49.6
146.03175	1.5
149.05983	7.2
153.01836	2.7
163.03920	1.4
165.01836	0.9
175.04016	0.3
177.05476	100.0
178.05836	3.6
183.02782	0.4
186.05479	0.4
195.02859	0.4
201.05453	1.0
229.04939	2.8
247.06107	0.5
257.04532	1.6
261.07550	0.3
274.04626	0.5
279.08496	0.4
285.03906	0.6
303.04996	50.9
304.05319	2.8
321.09579	0.7
339.10730	6.9
340.10968	0.4
345.06052	0.7
536.82324	0.3
642.30560	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	641.1711
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
55.88114	0.2
57.03416	0.3
57.96634	0.2
60.06522	0.2
60.35389	0.2
61.02896	0.4
62.02119	0.2
65.24640	0.2
69.01015	2.2
69.03430	2.0
73.02910	0.5
81.03377	0.9
85.02914	3.9
87.04451	0.5
91.03928	0.3
97.02852	1.0
98.22568	0.3
99.07483	0.2
102.19109	0.2
103.03927	0.3
106.87484	0.2
109.02855	0.5
117.51337	0.3
121.06510	0.5
123.22869	0.2
123.23822	0.3
127.03885	0.9
137.02298	1.2
137.05920	0.7
145.04951	0.3
153.01865	1.4
193.12164	0.3
200.04662	0.5
204.04253	0.2
228.04170	1.7
229.04948	1.2
245.04434	0.9
246.05287	0.2
256.03702	0.7
257.04584	1.1
258.05017	0.2
273.03937	0.7
274.04718	4.6
285.03983	1.1
289.06885	0.4
301.03433	9.8
302.04214	62.2
303.04593	4.1
313.03387	0.4
315.05023	0.6
316.05719	0.5
317.06561	100.0
318.06918	5.9
347.07651	1.0
359.07410	1.2
479.11880	62.5
480.12207	5.0
641.17242	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	641.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01851	1.6
65.03943	7.8
67.05511	3.1
68.40098	0.5
69.03403	1.9
78.04686	1.9
79.05492	3.8
81.03435	1.0
81.07028	1.1
82.04186	2.2
85.02903	4.8
91.05479	10.2
93.03379	1.8
93.07058	2.8
95.04964	3.3
97.02863	0.6
97.06505	2.0
98.22550	1.0
101.05984	0.6
103.04887	0.5
103.05485	5.6
105.03365	0.9
105.04500	1.1
105.07016	1.4
106.04156	0.9
106.85081	0.5
107.04950	8.1
108.02091	1.2
109.02915	0.5
109.06485	1.6
110.03659	3.1
111.04423	1.9
115.05462	8.4
117.03370	0.7
117.07021	10.5
118.07346	0.8
118.46375	0.5
119.04967	3.7
120.01979	0.5
120.05686	1.5
121.02928	0.5
121.06510	25.9
122.03663	1.0
123.00802	0.6
123.04423	5.1
124.05208	1.8
125.05945	2.0
126.98365	0.6
127.05405	1.7
129.07007	1.0
131.04921	3.0
132.05748	0.5
133.02847	0.6
133.06483	1.2
135.04453	2.6
137.02373	0.7
137.04997	0.7
137.05986	11.5
138.03123	1.9
138.09154	1.6
140.04622	0.5
141.69655	0.4
142.02629	3.4
143.04883	2.2
144.05629	0.6
145.02827	1.0
145.05363	1.0
145.06490	18.5
147.04410	2.5
147.08054	0.9
148.05209	3.3
149.05945	1.3
151.03885	2.3
152.04684	1.7
153.05457	3.3
154.06195	0.6
155.04916	0.9
155.06030	7.9
155.07123	0.9
157.06450	0.8
158.03566	0.7
159.04410	1.7
160.05138	1.4
161.05977	2.3
163.07541	0.9
164.07060	6.1
165.05481	8.8
165.06865	1.0
167.07042	64.3
168.07410	1.8
171.04428	0.9
171.05188	0.6
171.06511	4.4
172.05231	0.6
173.05983	24.6
174.06540	1.4
175.03870	1.1
175.07533	2.6
177.05496	4.0
179.06985	1.0
180.04146	1.0
181.04959	100.0
182.05272	3.0
186.03056	0.8
188.04652	0.6
189.05505	1.1
190.06216	0.7
191.07031	3.0
191.08525	0.5
193.04980	1.1
195.06500	1.8
197.08002	0.8
201.05447	6.7
202.05954	0.9
203.07024	5.5
205.04897	1.8
205.06560	1.7
205.08557	7.7
207.06454	1.0
209.07941	0.6
211.07509	2.0
213.05519	0.7
217.04892	0.6
217.08594	1.7
219.06395	3.7
220.07253	4.7
221.06079	1.1
221.08038	1.1
222.06741	1.1
225.07545	4.7
226.08235	0.7
231.06519	2.2
233.05977	2.3
233.08099	9.8
234.06737	1.0
234.08824	4.5
235.07512	0.7
235.09639	6.9
237.09161	1.5
239.07060	1.9
247.07520	1.0
248.04555	0.7
248.08321	0.8
249.05508	0.8
250.06284	2.3
250.79985	0.6
251.07024	0.9
255.10065	0.5
256.07251	0.5
263.07050	1.2
264.07809	1.4
265.08630	3.5
266.09222	0.6
273.11285	0.6
277.08426	0.8
278.05771	1.2
279.10178	0.8
280.07193	1.1
281.08124	1.3
282.08896	1.1
283.09573	0.7
292.07248	2.4
293.04834	0.8
293.08057	2.9
297.11285	6.0
298.11450	0.6
299.09195	5.2
299.12402	1.0
307.09711	4.6
308.06860	3.4
310.08380	1.4
317.06628	0.6
320.07077	0.5
323.09149	2.8
325.10703	14.2
326.11221	0.8
351.08664	8.8
352.09106	0.7
353.10132	0.9
355.11688	1.8
357.13300	6.1
359.11203	0.8
367.12024	0.9
369.13412	0.8
385.12811	30.9
386.13364	5.6
387.14310	4.2
397.12717	0.7
398.13525	1.7
415.13947	2.8
416.14645	14.5
417.15439	15.4
418.15915	1.3
430.12424	0.8
460.17316	2.9
462.19125	2.7
478.18628	10.7
479.19138	1.0
504.16696	0.9
601.52344	0.5
611.21033	3.9
612.21674	0.6
641.22278	43.4
642.22504	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	641.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01856	1.6
57.03424	0.8
61.15551	0.6
65.03939	6.6
67.05488	2.3
69.03411	2.1
69.08298	6.3
78.04700	1.3
79.05494	4.7
81.03394	1.0
81.07036	1.2
82.04174	3.3
84.79427	0.7
85.02917	4.0
89.03883	1.1
91.05478	16.6
91.06350	0.7
92.06264	0.9
93.03377	2.0
93.07036	2.6
95.04947	4.0
97.06516	2.0
103.05464	7.5
105.04471	0.8
105.07034	1.2
106.04145	1.2
107.04963	11.3
108.02058	1.2
109.06471	2.0
110.03642	3.0
111.04432	2.1
115.05454	12.1
116.06252	0.9
117.03376	2.7
117.07017	14.3
119.04958	5.1
120.05713	2.7
121.06504	21.6
121.86346	0.7
123.04436	6.0
124.05244	1.8
125.05962	2.2
127.05421	1.6
128.06264	1.1
130.04121	1.2
131.04945	5.9
132.05739	1.0
133.02826	1.7
133.06488	2.4
135.04393	3.2
135.08034	0.9
137.05978	11.6
138.03113	2.6
138.05490	1.3
138.09084	0.8
139.03839	1.0
140.04633	0.7
142.02580	2.5
143.04912	5.2
145.02831	3.3
145.06482	27.0
146.07169	1.0
147.04387	4.5
147.08025	2.2
148.05164	3.8
149.05951	1.7
151.03879	3.7
151.07539	7.6
152.04720	1.2
153.05464	3.3
154.06136	1.1
155.04945	1.5
155.06044	7.0
156.05663	1.4
157.06523	0.9
159.04459	2.9
160.05174	3.0
161.05994	4.9
162.06717	0.9
163.03891	1.9
163.05199	0.7
163.07518	2.1
164.07027	0.9
165.05481	10.4
166.06265	0.7
167.07047	48.5
168.07475	1.6
169.22624	0.7
171.04419	2.0
171.06525	3.5
172.05113	1.5
173.05983	26.7
174.06671	2.9
175.03889	1.2
175.07510	7.3
176.04681	3.0
177.05493	9.4
179.06967	0.9
181.04956	100.0
182.05321	3.7
183.06567	0.8
185.05994	1.0
187.03920	1.5
188.04675	1.5
189.05429	5.3
189.09190	1.7
190.06187	2.5
191.07037	12.7
191.08701	1.1
193.04988	1.4
195.06488	3.2
195.08093	1.6
201.05424	38.8
202.06200	4.0
203.07027	14.1
205.04884	1.1
205.06487	2.3
205.08594	7.0
207.06473	1.5
208.07390	1.1
213.05423	1.4
214.06152	0.8
217.05116	3.8
217.08572	7.8
219.06487	22.7
220.07205	5.4
221.05971	2.3
221.07982	1.5
222.06787	2.0
223.07567	3.7
225.07532	4.0
231.06586	2.4
233.05936	2.0
233.08070	26.4
234.06789	1.5
234.08859	26.8
235.07524	3.5
235.09650	5.9
237.09090	2.0
247.07570	1.7
248.08391	0.8
249.05492	2.1
250.06165	4.3
251.07028	6.2
252.07887	1.2
253.08684	0.8
263.07050	5.4
265.08563	5.4
266.05786	2.1
267.06549	1.2
268.07269	3.1
269.07953	0.8
278.05722	2.6
279.06570	3.9
280.07104	1.0
283.09570	4.8
288.12268	2.5
291.06592	2.1
291.10358	1.1
293.08136	4.2
295.06049	1.1
295.09534	0.9
297.11200	1.2
307.05927	2.0
307.09488	1.0
308.06705	0.8
309.07568	21.4
310.08151	1.9
311.09128	23.9
312.09558	1.3
313.07108	0.9
315.12360	1.4
323.09177	1.8
325.10919	2.2
326.11105	1.0
331.08438	0.9
337.10791	1.3
339.08609	1.5
355.11957	2.7
357.13531	4.4
359.11203	6.5
364.11655	1.4
365.10168	1.5
367.11972	1.3
368.12463	1.1
371.11340	0.8
372.12137	1.0
373.12967	1.0
380.11365	1.0
383.11246	1.7
385.12799	30.2
386.13370	5.0
387.14374	3.8
394.12964	2.5
397.12903	4.3
398.13739	3.5
415.13846	11.0
416.09055	1.1
416.14609	21.7
417.15387	10.8
418.16440	1.0
446.15872	4.2
455.69516	0.9
462.19830	0.9
465.20316	0.9
474.15491	10.4
475.15616	1.3
476.17175	4.4
478.18607	1.7
504.16617	4.9
505.17050	1.2
611.21283	2.9
641.22345	33.7
641.33295	2.2
642.22803	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	641.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01867	0.7
65.03953	0.7
67.05490	0.6
69.03432	0.9
69.07074	0.3
69.14823	2.4
77.03954	0.5
79.05496	2.0
81.03418	1.1
81.07038	0.6
85.02883	0.4
91.05482	5.7
93.07047	8.0
95.04982	2.2
103.05470	4.5
105.04501	0.6
105.07029	1.5
107.04948	0.8
107.08603	4.9
109.06493	0.6
117.07018	0.4
119.04919	1.1
120.05730	0.7
121.02857	1.2
121.06506	32.7
121.10130	0.9
122.03280	0.3
122.06858	1.1
123.04412	0.4
131.04869	0.4
132.02132	0.4
133.06558	0.7
134.06007	1.2
135.04347	0.4
135.06393	0.7
135.08044	0.5
135.11720	2.3
136.07573	0.7
137.05978	5.3
138.09143	6.2
143.04984	0.4
145.02878	0.7
145.06491	0.7
145.10129	1.3
147.04428	0.8
149.06068	0.4
151.03885	1.3
152.07123	0.4
159.04340	0.3
160.01558	1.0
161.06032	0.8
163.07556	0.3
163.11263	2.0
164.07129	2.2
165.05527	0.4
165.06982	0.5
167.07033	2.1
168.05711	0.5
173.05977	0.9
175.03899	0.6
176.06348	0.5
177.05473	1.3
177.06886	0.6
178.04956	0.4
178.07790	1.1
179.07144	0.3
179.08534	1.9
180.05647	0.4
181.04955	3.2
181.06482	0.8
189.05431	0.9
189.07008	0.9
190.07851	0.4
191.07083	0.3
192.05652	2.5
193.04909	0.3
193.06448	0.3
194.07149	0.4
201.05536	0.4
203.03317	2.3
204.03792	0.4
204.05795	0.6
205.04878	0.4
205.06464	1.7
206.07277	1.4
207.06444	1.5
207.08163	3.4
209.05980	1.3
211.07440	0.4
215.03392	0.9
217.04906	0.9
217.06584	0.9
220.05196	7.4
220.07199	0.6
221.04303	8.5
221.05885	1.2
222.06683	0.9
223.07477	0.8
224.08292	1.4
231.06467	0.3
233.06094	1.7
234.06735	3.0
235.07538	20.5
236.04659	1.1
236.08127	2.0
237.05486	3.1
237.09010	0.4
238.09550	0.3
248.04695	3.8
248.07019	0.5
249.05444	3.3
250.06126	1.0
251.07062	2.9
252.07828	3.4
253.08423	0.6
257.04654	0.3
258.64435	0.3
261.05597	0.4
262.06183	2.5
263.07031	21.9
264.04227	0.8
264.07712	5.1
265.04968	9.6
265.08389	1.2
266.05505	0.7
266.09128	0.4
267.10187	1.8
268.07230	0.3
276.04404	0.5
277.08612	1.1
278.05719	0.9
278.09229	0.3
279.06509	2.3
279.11215	0.3
280.07306	8.3
281.04620	0.4
281.07776	0.9
283.09665	0.7
289.04968	0.3
290.05820	0.7
291.06506	15.8
292.03839	0.5
292.06934	1.5
293.04495	3.3
293.07672	0.5
294.04871	0.4
294.08289	0.4
295.09647	26.9
296.06708	0.8
296.10019	1.2
297.07730	0.3
297.11255	0.8
301.03387	1.1
302.04199	6.0
305.08167	0.7
306.05042	0.5
307.05984	2.2
307.09296	0.6
308.06775	10.1
308.09799	0.5
309.07260	1.3
309.10376	0.5
310.07635	0.3
311.09134	5.0
315.12305	0.4
317.06573	13.5
318.06854	0.6
321.07669	0.9
323.09134	100.0
324.09488	6.4
325.10605	1.1
326.10995	1.1
327.11337	0.7
339.08652	6.7
341.10220	5.9
342.10544	0.6
349.07077	4.6
351.08588	0.7
352.08994	0.8
353.09305	0.8
367.08130	7.0
368.08597	0.4
385.12805	0.7
417.15433	0.4
420.93448	0.3
460.17569	13.2
461.17899	1.3
463.19382	0.4
464.19687	1.1
478.18607	1.1
486.15494	1.0
504.16583	3.0
641.24115	4.5
642.19019	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	641.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01867	0.4
55.33580	0.3
57.46437	0.3
70.71828	0.6
79.05474	0.6
80.04899	0.3
81.07079	0.4
85.02911	0.4
91.05487	3.1
91.54427	0.3
93.07051	3.9
95.04958	1.4
103.05477	3.5
105.07020	0.7
109.10121	0.5
114.34541	0.3
117.07007	0.7
119.04932	0.9
120.05732	0.4
121.06516	22.8
122.06857	0.8
123.04406	0.4
133.02843	0.6
133.06535	0.7
137.05997	4.6
138.09160	4.3
145.02814	0.6
145.06531	0.7
147.04398	0.8
149.32199	0.3
151.03928	1.7
151.07614	0.6
159.04407	0.5
161.06004	0.5
163.03952	0.4
163.07594	0.5
164.07088	1.7
165.05527	0.6
165.06966	0.6
167.07054	2.3
168.05812	0.4
173.05974	0.6
175.03981	0.6
177.05493	2.0
177.06821	0.4
178.02582	0.4
178.07750	1.3
179.08516	2.2
181.04990	3.4
181.06456	0.7
189.05556	0.8
189.07060	1.3
192.05688	1.6
194.07170	0.5
195.08093	0.5
201.05420	0.5
203.03375	0.9
205.06526	1.5
205.08327	0.4
206.07265	1.3
207.06447	0.7
207.08084	4.0
209.05923	0.8
210.06863	0.3
215.03326	0.5
217.04793	0.4
217.06654	0.8
220.05193	6.4
220.07219	0.6
221.04198	3.9
221.06062	1.4
222.06696	0.6
223.07767	0.5
224.08345	1.6
233.05981	1.5
234.06697	1.9
235.07541	18.8
236.07977	1.6
237.05505	2.6
248.04684	4.3
249.05455	2.1
249.09225	0.4
250.06143	0.5
251.07024	2.1
252.07777	2.6
253.08698	0.5
262.06155	2.1
263.07040	20.3
264.04172	0.3
264.04745	0.4
264.07748	5.0
265.04971	7.4
265.08179	0.8
266.05499	0.6
267.10150	0.9
277.08627	0.8
278.05817	0.7
279.06543	1.5
280.07324	7.4
281.07761	0.6
283.09778	0.5
291.06525	16.1
292.06931	1.7
293.04437	2.1
293.07364	0.4
295.09656	23.5
296.09985	1.4
297.11313	1.1
305.08017	0.5
306.05249	0.5
307.05936	0.8
308.06787	7.8
311.09134	2.6
315.12292	0.7
321.07535	0.6
323.09152	100.0
324.09525	6.4
339.08725	2.5
341.10239	2.9
349.07135	3.3
363.48392	0.4
367.08081	3.1
385.13068	0.7
460.17551	15.3
461.17810	1.4
478.18655	1.0
486.15451	0.8
504.16577	2.2
641.24017	4.3
642.24438	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	641.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40987	0.1
51.02374	0.2
53.03950	0.4
55.01867	0.2
63.02355	0.8
65.03941	0.4
67.05508	0.3
77.03950	0.2
78.04716	0.6
79.05478	0.4
81.03420	0.3
85.02920	0.2
89.03920	11.0
90.04242	0.2
91.05482	3.0
93.07055	1.2
95.04971	0.8
95.68006	0.2
98.23348	0.5
103.05480	1.2
105.03382	0.2
105.04502	0.2
105.07042	0.3
106.04177	0.8
107.04966	0.5
107.08593	0.2
108.02101	0.2
109.06503	0.2
109.10139	0.2
110.03645	0.2
110.53607	0.2
115.05444	0.7
115.07214	0.1
117.03383	26.4
117.07008	0.5
118.03731	0.7
118.70453	0.2
119.04949	1.3
121.06511	8.3
122.03632	0.2
122.06849	0.3
122.94230	0.1
123.04446	0.6
124.05177	0.2
125.05930	0.2
127.64330	0.1
129.04514	0.2
131.04846	0.4
133.02846	0.2
134.03644	2.1
135.04430	1.9
135.46475	0.2
137.05991	2.7
138.09157	0.3
143.04930	0.5
145.02850	55.8
145.06482	1.9
146.03175	1.9
147.04442	1.4
149.05988	8.8
151.03923	1.2
151.07555	1.5
152.07048	0.3
153.01991	0.2
155.06004	0.4
161.05939	0.7
162.03165	0.4
162.05507	0.2
162.09120	0.2
163.03955	0.8
163.06204	0.3
163.07513	0.4
164.07082	3.0
165.05540	0.3
165.09100	0.4
167.07043	2.1
168.50391	0.2
173.05968	0.5
174.06778	0.2
175.03906	0.3
175.07454	0.2
177.05472	100.0
178.05840	3.2
181.04956	3.2
182.05310	0.2
184.18221	0.2
185.05963	0.2
186.05544	1.3
187.03880	0.5
188.07091	0.3
191.07019	0.3
201.05431	1.7
202.05885	0.3
203.07123	0.3
205.06461	1.1
205.08386	0.3
209.09679	0.2
211.07414	0.2
217.04990	0.2
217.08734	0.2
219.06474	0.4
220.07188	0.2
221.05905	0.3
222.06606	0.3
223.07547	0.6
233.05864	0.4
233.08113	0.4
234.06631	0.2
234.08780	0.4
235.07387	0.3
235.09622	0.3
237.09117	0.3
249.05379	0.3
250.06152	0.6
250.08521	0.2
251.06998	1.4
252.07721	0.2
263.07080	0.3
265.08731	0.8
266.05612	0.2
266.08148	0.8
268.07172	0.3
268.09781	0.2
269.11716	0.3
272.12769	0.2
278.05615	0.6
278.08109	0.6
279.06348	0.5
283.09619	0.7
284.09622	0.2
285.10382	0.2
293.08026	1.9
294.07971	0.2
295.08652	0.3
296.06534	0.2
297.07800	0.2
298.10815	0.5
299.09082	0.6
300.12415	1.0
302.13989	1.0
303.04767	0.2
307.09644	0.3
309.07489	0.5
310.10843	0.9
311.09070	2.0
312.45078	0.2
313.10754	0.2
314.14026	0.2
323.09201	0.2
325.06909	0.7
325.10703	0.4
326.10193	0.6
328.08191	0.3
328.11786	4.8
329.12219	0.3
339.09033	0.2
340.11646	0.4
351.08667	0.3
354.09650	1.6
354.13095	1.1
380.11096	0.3
385.12711	0.7
394.13419	0.2
415.13940	0.4
416.14587	0.4
417.15356	0.3
432.17999	0.3
447.18857	0.6
448.17462	0.6
449.20715	0.2
460.17178	0.3
465.20236	8.0
466.20419	0.8
474.15662	1.3
478.18710	0.9
479.13058	0.3
486.15833	0.2
491.18408	0.9
504.16553	1.8
536.15161	0.2
623.23572	0.4
641.24353	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	641.2968
Annotation	Crooksiine
Peak:m/z	Relative Intensity
60.48713	0.8
63.90566	0.8
69.07076	1.1
71.30308	1.1
72.42159	0.7
79.05508	2.0
81.07046	1.5
91.05490	1.4
93.07057	1.7
101.99883	1.0
119.08602	1.3
124.93770	0.9
163.05042	0.9
243.60722	0.9
271.68851	0.9
275.20001	1.0
277.94455	0.9
281.23495	0.9
298.26190	0.9
375.33087	1.0
406.21808	1.8
419.18375	1.9
433.20255	3.0
434.21378	1.2
435.21890	1.1
445.29620	2.0
447.17758	1.3
448.22824	1.1
461.19308	8.4
462.20279	4.3
465.19226	1.5
476.22504	1.1
477.23242	2.1
494.23270	2.7
495.23856	1.4
520.24384	1.0
521.21808	1.5
522.25513	2.1
543.36774	1.1
548.24243	1.9
553.28058	1.4
563.26672	4.7
581.27478	10.5
582.28296	1.6
608.26440	1.8
623.27344	1.4
641.29675	100.0
642.29761	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
67.05514	1.7
71.08623	0.7
71.30652	1.2
79.05513	1.3
81.07053	1.2
87.78535	0.7
91.05482	1.5
95.04952	0.8
95.08604	1.0
105.07001	0.8
124.93768	0.9
127.52310	0.7
186.60611	0.8
220.43526	0.8
261.47678	0.7
275.20068	1.3
298.75122	0.7
311.31079	0.7
313.20129	0.8
382.91754	0.8
390.18399	1.1
391.19345	0.9
404.20288	0.9
405.16748	1.2
405.21448	0.9
406.21585	1.1
409.06271	0.8
417.16724	0.8
418.17731	0.8
419.18552	3.3
431.18811	1.1
433.20609	3.7
434.21057	3.5
435.21942	2.1
447.18146	2.3
448.22919	1.2
449.23178	2.2
461.19513	11.9
462.19992	5.1
465.19357	2.3
467.24399	2.2
475.21097	0.8
476.21954	2.5
477.22818	3.3
479.21024	1.1
494.23026	3.1
495.23935	2.8
507.23486	0.9
520.24408	0.8
521.20990	0.9
522.25714	1.6
535.27057	0.9
535.71979	1.0
543.37225	0.9
548.24518	3.0
549.25031	1.3
553.27716	1.5
563.26514	6.7
581.27588	12.1
582.27997	2.3
607.29199	1.1
608.26117	1.0
609.26807	1.2
623.28265	1.7
641.29688	100.0
642.29913	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	641.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
54.50234	0.4
55.01876	0.5
55.05517	1.8
57.03437	2.2
59.04982	0.4
61.02931	4.0
67.05508	8.0
67.05837	0.5
69.03426	3.5
69.07085	0.9
71.01372	0.4
71.05012	1.4
71.28199	0.6
73.02926	2.6
79.05502	2.5
81.03421	5.9
81.07070	5.3
83.05006	1.6
83.08625	2.0
85.02907	4.7
85.06543	0.5
87.04518	0.4
89.38798	0.4
91.03963	2.0
91.05480	3.5
93.07043	2.4
95.04969	2.3
95.08616	2.0
97.02900	4.4
97.06523	0.6
99.04455	0.8
101.02412	1.6
103.03995	0.4
105.07044	2.0
105.64393	0.3
107.04967	0.7
107.08634	1.4
109.02926	1.3
109.06555	1.0
109.10155	6.7
111.04443	0.4
111.08106	0.9
117.03394	0.7
117.07070	0.4
119.08590	2.2
121.06544	1.6
121.10175	1.2
125.09663	0.3
127.03951	1.3
128.96075	0.3
129.06979	0.8
131.08612	1.1
133.06586	0.5
133.10197	1.4
135.11659	0.5
137.09636	0.7
145.02875	2.5
145.10127	0.5
147.04364	0.4
147.11748	1.1
148.94550	0.4
149.05992	0.5
149.90994	0.3
155.10765	0.7
157.10190	1.1
173.04579	0.5
173.11769	1.7
175.11240	1.1
177.05487	5.5
181.05020	0.6
185.04367	0.5
193.12311	1.3
195.10080	0.6
201.07677	0.4
211.13412	1.5
219.13936	0.7
229.14465	1.5
229.67245	0.4
235.13213	0.4
243.08389	1.8
243.16043	0.8
251.12645	1.1
267.15933	1.0
269.17477	0.5
285.17093	0.8
355.98096	0.4
372.94073	0.4
405.10648	0.4
413.17798	6.9
447.27579	0.4
458.86584	0.4
461.29211	0.9
469.20584	6.9
470.21588	0.7
609.33203	0.4
623.34283	0.7
641.31427	100.0
642.31830	11.2
642.42462	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	641.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.9
53.03943	6.4
55.01864	5.4
55.05515	17.5
57.03440	4.0
57.07077	3.3
60.08157	3.5
64.67433	2.0
65.03941	3.1
67.05508	36.0
69.03452	2.3
69.07073	12.8
71.04989	3.3
71.08635	17.0
71.29469	2.3
79.05035	1.1
79.05494	35.9
81.03421	36.9
81.07065	41.2
83.04987	7.9
83.08623	14.9
86.09710	3.8
91.05486	33.8
93.07053	40.3
94.07376	2.2
95.04973	19.4
95.08617	25.1
97.06535	6.4
97.10152	4.4
98.98476	2.5
99.08083	12.7
102.09190	2.0
104.10755	11.8
105.07041	20.7
107.04944	11.4
107.08608	20.9
109.06526	5.3
109.10184	10.3
111.08084	7.0
113.09625	2.5
117.07018	7.1
119.08596	19.4
121.06503	2.6
121.10156	13.0
123.08079	2.7
123.11765	2.2
124.93800	9.7
125.09624	3.6
129.07011	8.2
131.08609	12.9
133.10147	12.2
135.11687	18.4
137.09642	3.1
142.07750	2.2
142.94836	5.3
143.08569	4.4
145.08936	1.8
145.10101	9.0
147.08061	2.1
147.11717	8.8
149.02348	4.1
149.09607	3.8
149.13266	6.3
151.11169	9.2
157.10118	5.0
159.11676	5.6
160.78244	1.9
161.13263	8.2
163.11172	7.9
165.12784	4.9
166.94067	1.8
173.13287	3.4
175.11211	2.3
179.14317	43.5
185.13216	2.3
189.11256	2.4
193.05013	3.1
193.12271	7.9
199.14751	2.4
205.12231	2.0
207.13620	2.1
223.13213	2.9
226.01445	2.8
247.20522	2.0
257.19077	2.1
259.20776	3.2
267.16049	3.6
268.97971	5.4
273.18503	3.1
275.20038	11.4
277.21631	37.8
284.29517	3.0
286.99039	89.2
291.19434	2.0
293.21060	2.7
295.22726	5.9
305.00183	3.6
337.27377	7.1
337.47443	2.0
349.23593	3.7
351.25232	7.0
385.09433	2.8
461.20264	5.7
471.55164	1.9
543.36932	100.0
544.37238	12.2
623.43170	3.1
641.26630	36.2
641.43768	6.6
642.26807	5.3
642.36334	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	641.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01882	5.9
55.05519	25.1
55.86238	1.7
57.03438	4.4
57.07077	3.9
65.03958	3.1
67.05505	38.7
69.07066	15.0
69.09569	3.8
69.09983	8.4
71.05000	3.4
71.08629	19.1
79.05497	50.9
81.03422	44.2
81.07059	55.4
83.04980	11.3
83.08621	17.9
85.06538	3.8
91.05481	36.7
93.07045	42.4
95.04971	27.6
95.08611	28.5
97.06535	7.8
97.10175	6.1
97.38725	1.6
98.98471	5.2
99.08092	15.8
104.10737	2.0
105.07030	23.7
107.04955	15.8
107.08595	26.2
109.06526	7.3
109.10167	13.1
111.04427	1.8
111.08095	8.1
113.09686	2.6
115.05497	2.8
117.07026	8.2
119.08577	22.7
121.06507	3.5
121.10152	17.1
123.08071	4.2
123.11700	4.1
124.93773	8.7
125.09620	4.4
129.06969	10.4
131.07661	2.4
131.08543	13.2
133.06535	2.1
133.10136	16.4
135.08093	3.3
135.11728	18.0
137.05994	1.8
137.09612	3.6
141.09109	2.5
142.94852	3.8
143.08589	5.2
145.10115	8.9
147.08089	3.8
147.11676	8.3
149.02345	5.0
149.09613	5.9
149.13298	8.1
150.02779	1.9
151.11168	9.4
155.01036	1.9
155.08630	3.9
157.10152	6.5
159.11690	3.6
161.13252	8.8
163.11163	11.3
165.12773	4.6
169.55701	1.9
171.11671	3.1
171.59496	1.6
173.13316	1.8
175.11166	3.7
175.14886	2.3
177.12732	2.8
179.14313	44.2
180.14737	2.5
183.11710	2.1
187.14932	1.9
189.12711	2.6
193.04944	4.1
193.12247	10.9
195.13930	2.1
197.13368	2.2
223.13329	5.0
227.12831	1.9
249.14868	2.9
259.20566	3.2
267.15973	2.7
268.98108	3.3
273.18518	2.0
275.20132	20.3
277.21603	42.2
278.21866	2.5
284.29727	2.2
286.99051	75.4
287.99432	3.0
293.21091	3.3
295.22867	3.8
305.00357	2.8
328.01944	2.0
331.22620	2.8
337.27454	3.8
349.23682	5.0
351.25333	5.4
461.20193	7.3
531.37671	2.6
543.36798	100.0
544.37036	12.5
549.39044	3.1
576.14001	1.8
623.42859	4.8
624.16113	4.4
641.26599	35.2
641.43396	18.3
642.26685	5.3
642.36523	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01877	14.2
55.05514	56.5
55.05764	2.0
56.05830	1.2
57.03435	6.7
57.07053	2.8
59.04986	1.6
65.03936	4.2
67.05508	51.3
68.01807	0.7
68.05848	0.7
69.03428	4.8
69.07070	32.4
69.42857	1.8
69.43269	1.9
71.05000	7.0
77.03886	1.9
77.16892	0.8
79.05496	54.7
80.05807	1.0
81.03423	7.7
81.07060	71.1
82.07367	1.7
83.04987	14.4
83.08621	43.3
84.08913	0.8
85.02879	3.1
85.06519	3.0
91.05482	47.6
93.07046	46.0
94.07372	1.1
95.01315	1.4
95.04975	58.1
95.08611	31.1
96.05282	1.5
97.02872	0.9
97.05997	0.9
97.06532	11.2
97.10171	12.1
99.04468	6.0
99.08060	2.4
103.05441	1.5
105.04512	1.3
105.07032	44.1
106.07331	1.6
107.04960	24.5
107.08600	37.1
108.05238	0.8
108.08899	0.9
109.05797	1.0
109.06520	19.0
109.09473	1.0
109.10162	16.3
111.03808	0.8
111.04449	10.9
111.08090	10.5
111.11634	0.8
112.07603	1.4
113.06003	2.0
113.09624	0.9
115.05442	3.5
116.06190	1.6
117.07021	21.2
119.04942	0.8
119.08585	33.1
120.08932	0.8
121.06500	12.0
121.10146	24.5
122.10444	0.9
123.08067	8.6
123.11673	3.0
125.05937	1.7
125.08894	0.9
125.09647	11.6
127.07569	1.0
128.06183	2.8
129.07027	9.6
130.07745	2.2
131.08574	26.8
132.08913	1.1
133.06471	2.5
133.10136	24.8
135.08044	9.7
135.11697	12.2
137.09639	4.4
139.11142	2.8
141.06972	4.0
142.07776	2.3
143.08551	8.4
145.06467	2.4
145.10127	27.2
146.10478	1.2
147.08075	6.6
147.10651	0.8
147.11696	15.4
148.11992	1.0
149.02338	1.8
149.09627	29.8
149.13239	5.3
150.09920	1.4
151.11157	3.3
153.07030	1.2
153.09085	2.3
153.12732	1.9
154.07773	0.9
155.08574	4.9
155.10638	1.0
156.09285	0.7
157.10123	8.3
159.07994	2.6
159.11699	17.6
161.09644	4.1
161.13246	7.2
163.11183	33.9
163.14813	2.5
164.11549	1.7
165.09119	1.2
165.12788	6.4
167.08595	1.5
167.10570	1.0
169.10139	5.2
171.10239	1.7
171.11655	9.2
173.09624	4.0
173.11757	2.5
173.13249	8.8
175.11169	3.4
175.14803	2.6
177.12750	5.8
179.08405	0.9
179.10664	1.3
179.14314	2.2
181.10239	1.7
181.12215	1.8
183.11703	5.2
185.09491	1.2
185.13280	4.4
187.11157	4.9
187.14784	3.0
189.11201	8.8
189.12766	2.6
191.10638	3.0
191.14278	2.3
193.10152	1.1
193.12259	4.2
195.11639	2.1
197.13298	4.5
199.14851	1.9
201.12688	2.2
201.16394	1.5
203.14342	1.4
205.12256	7.3
207.11775	1.2
207.13751	1.8
209.13307	1.6
211.13162	1.2
211.14919	1.7
213.16443	2.0
215.14284	1.2
215.17961	1.7
217.15819	1.1
219.13748	1.2
219.17429	0.9
221.13338	1.2
221.15350	0.9
223.13268	32.3
224.13647	1.6
225.16370	1.3
227.12738	5.3
229.19473	3.7
233.15329	1.1
233.18971	1.6
239.17967	6.9
241.19456	1.4
241.46129	0.8
247.20656	4.3
257.19006	13.8
259.20642	1.9
269.19168	0.9
273.18527	4.0
275.20074	100.0
276.20425	8.2
277.21851	1.1
283.15427	0.9
285.22086	1.1
291.19391	3.7
293.21118	24.5
294.21490	1.6
297.75595	0.9
313.21631	3.0
322.36926	0.8
331.22675	7.7
349.23740	32.3
350.24075	2.4
365.23523	1.3
367.24774	1.3
395.29572	1.1
421.31073	1.3
459.31561	1.0
499.34232	1.3
513.36218	3.9
515.32806	5.1
526.84460	0.8
531.38251	1.5
543.36963	3.4
549.39105	2.3
605.41827	1.5
623.43073	18.7
624.43427	2.3
641.30737	1.8
641.44098	52.4
642.44360	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	641.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01873	5.9
55.05512	16.6
56.05827	0.4
57.03438	3.2
57.07074	1.1
59.04993	0.4
62.68571	0.4
65.03939	3.5
66.04722	0.6
67.05505	32.8
69.03427	1.0
69.07069	13.1
70.07394	0.5
71.04993	2.5
73.06568	0.4
77.03923	0.7
78.04684	0.5
79.05494	41.9
80.05835	0.8
81.03420	3.8
81.07056	100.0
82.07390	1.5
83.04980	3.8
83.08620	10.7
85.06543	2.5
91.05480	28.9
92.05787	0.6
93.07043	24.2
94.07376	0.6
95.01328	0.5
95.04972	9.5
95.08606	22.7
96.08929	0.5
97.06525	7.6
97.10164	2.1
99.08097	2.3
101.05984	0.4
103.05484	1.1
105.04533	1.0
105.07031	25.8
106.07367	0.5
107.04961	7.1
107.08595	15.7
108.08912	0.5
109.06518	34.8
109.10156	7.0
110.06852	1.2
111.04449	0.6
111.08071	3.3
113.06047	0.4
115.05468	1.2
116.06229	0.5
117.07018	7.9
119.08581	21.0
120.08939	0.5
121.06515	3.8
121.10140	13.2
121.11015	0.7
123.04440	0.8
123.08057	5.8
123.11714	5.2
125.09602	1.5
128.06210	0.9
129.07018	3.0
130.07751	0.4
131.08569	11.2
133.06506	1.1
133.10126	14.9
134.10498	0.7
135.08058	4.3
135.11678	5.5
137.09601	3.5
137.13226	0.4
139.07594	0.4
139.11186	0.7
141.07001	1.3
142.07811	0.8
143.08546	2.5
144.09239	0.3
145.06480	0.9
145.10124	10.2
147.08102	1.5
147.11685	14.0
148.12126	0.4
149.09630	6.0
149.13258	9.9
151.07550	0.8
151.11195	1.5
153.12708	0.4
155.08553	1.1
157.10139	3.5
159.08119	0.5
159.11688	7.9
161.09610	1.8
161.13263	4.2
163.11171	4.9
163.14832	5.1
164.11623	0.4
164.15132	0.4
165.09068	0.3
165.12752	4.1
168.09381	0.4
169.10184	1.7
171.10443	0.4
171.11642	2.0
173.09673	1.0
173.13286	4.8
175.11157	2.6
175.14822	1.4
177.12753	2.1
177.16307	0.4
179.14342	1.3
181.12253	0.6
183.11700	2.1
185.13313	0.8
187.11217	1.3
187.14792	1.9
189.12749	1.1
191.14322	1.4
193.12253	3.2
193.15935	0.5
197.13248	0.8
201.12766	0.7
201.16403	0.9
203.14430	0.4
203.17989	0.4
205.15903	0.7
207.13701	0.4
208.21809	0.4
211.14973	0.5
213.16466	0.7
215.14392	0.7
215.17952	0.5
217.15860	0.5
219.13788	0.8
219.17451	1.1
219.21115	0.5
223.13283	0.4
229.14252	0.4
229.19511	4.9
231.17552	0.4
233.15337	0.4
233.18922	0.5
239.17960	2.1
247.20561	7.7
248.20898	0.6
257.19003	4.8
259.20572	0.5
267.15860	1.8
275.20062	70.2
276.20364	4.6
291.19568	1.4
293.21066	7.1
331.22681	0.8
333.24173	0.4
349.23743	18.7
350.24081	1.4
367.24985	0.7
377.94589	0.4
437.07404	0.3
502.81622	0.3
513.37122	0.3
549.39600	0.5
559.36169	0.3
567.40460	0.6
605.42090	0.4
623.43042	10.8
624.43140	1.4
641.44067	15.3
642.44110	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	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11248	1.0
52.79833	1.1
53.03943	5.2
55.01874	18.4
55.05513	39.9
57.03445	6.0
57.07072	2.6
63.87862	1.1
65.03951	3.1
67.05508	61.2
69.03429	4.6
69.07072	37.1
71.04990	5.5
73.06548	1.3
74.56377	0.9
76.88663	1.1
79.05495	61.8
81.03414	7.7
81.07060	100.0
82.07391	2.5
83.04982	9.8
83.08621	24.5
85.06549	3.5
91.05485	60.0
92.05804	1.9
93.07047	45.1
93.07636	2.5
94.07390	1.1
95.01328	5.3
95.04975	14.8
95.08614	40.8
97.02883	2.2
97.06535	22.1
97.10168	14.8
98.22575	2.9
99.08107	2.6
100.07802	1.1
103.05450	2.4
105.04543	1.6
105.07035	60.6
106.07351	1.3
107.04958	17.6
107.08599	29.7
108.08917	1.3
109.06526	21.3
109.10166	16.7
111.04427	1.7
111.08075	6.4
113.09618	1.6
115.05452	3.6
117.07024	18.8
119.08583	45.6
121.06491	5.1
121.10159	19.1
123.04429	2.0
123.08096	5.4
123.11724	8.7
125.09640	9.6
125.31022	1.1
128.06221	3.6
129.07013	9.7
130.07794	1.7
131.08563	30.6
133.06519	2.7
133.10136	36.5
135.08028	5.5
135.11707	9.2
137.09625	5.4
137.13275	1.3
139.07541	1.2
141.06978	4.6
142.07755	1.9
143.08540	9.4
144.09387	1.3
145.06497	2.4
145.10121	22.7
147.08035	3.6
147.11687	25.4
149.09616	10.5
149.13257	9.0
151.11165	2.3
155.08536	6.8
157.10118	11.0
159.08089	2.7
159.11691	15.0
161.09641	2.1
161.13266	10.7
163.11205	9.5
163.14853	2.7
165.09082	2.0
165.12747	3.9
167.08513	2.1
169.10139	6.1
171.11662	8.5
173.09651	2.4
173.11832	1.8
173.13242	8.6
175.11269	2.4
175.14824	4.8
177.12778	3.6
179.14302	7.6
181.10115	1.6
183.11699	6.5
185.13319	4.9
187.11142	2.0
187.14793	5.4
189.11235	3.1
189.12706	2.4
193.12204	2.2
195.11652	3.1
197.13348	5.5
199.14874	3.0
201.12784	1.7
209.13251	1.9
211.14882	1.8
215.17796	1.1
223.13226	6.5
227.12752	5.6
229.19566	2.5
231.21178	1.4
237.16396	1.4
239.17899	3.8
241.19557	6.3
247.20615	4.1
257.19000	8.0
259.20612	11.5
267.15845	1.4
273.18478	4.5
275.20065	75.5
276.20441	4.8
277.21597	1.2
291.19568	28.7
292.19904	1.9
293.21085	6.6
303.62936	1.2
315.23093	3.0
333.24295	9.4
349.23773	18.2
353.24332	1.1
365.23318	8.5
379.30054	1.6
388.62683	1.3
398.40359	1.2
419.29205	1.4
437.30322	1.5
513.36255	2.4
529.35101	2.4
531.38336	1.7
549.39429	1.5
567.40302	2.0
605.41730	4.1
623.43024	29.3
624.42999	3.4
641.44006	27.6
642.44171	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	641.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61965	1.8
53.03942	13.2
55.01870	10.3
55.05514	59.7
55.47578	1.9
57.03433	3.5
57.07066	5.0
64.14449	2.2
65.03931	10.9
67.05508	100.0
67.08046	1.7
68.05828	3.2
69.03440	3.9
69.06725	3.2
69.07075	33.2
69.61920	1.8
71.04983	9.4
71.46378	1.9
73.06541	7.3
73.48393	1.7
79.05496	96.3
81.03407	8.0
81.07058	87.5
83.04974	10.6
83.08620	52.8
85.06535	5.3
91.05484	80.8
93.07047	99.3
95.04965	44.2
95.08607	67.5
97.06534	10.2
97.10178	10.2
103.05457	2.6
105.04498	4.4
105.07033	58.1
106.07359	2.1
107.04967	19.9
107.08596	48.2
109.06528	16.2
109.10157	23.7
111.08082	14.4
117.07020	24.9
119.08582	41.1
121.06525	12.0
121.10143	45.2
123.08066	7.8
123.11701	7.3
123.23151	2.4
125.09642	10.1
129.07010	7.8
131.08571	31.6
133.10130	30.2
134.10432	2.9
135.07983	4.5
135.11702	19.3
137.09642	6.9
141.97473	2.2
143.08549	8.7
143.38608	2.2
145.06496	3.6
145.10126	36.8
147.08018	3.8
147.11697	18.5
149.08473	1.4
149.09615	38.5
149.13252	6.8
151.11189	3.3
157.10158	4.2
159.11684	19.2
161.09578	2.6
161.13269	7.1
163.07240	2.5
163.11189	29.8
165.12813	12.0
169.10144	4.6
171.11621	5.7
173.09682	2.5
173.13237	10.3
174.89648	2.6
175.11238	3.1
175.14830	3.9
177.12753	11.0
179.14262	7.7
183.11658	4.1
185.13303	2.8
187.11169	2.5
187.14822	2.5
189.11224	3.8
197.13329	3.3
205.12219	6.5
215.18115	2.3
223.13353	6.0
229.19586	4.2
237.14836	3.7
239.17970	5.3
247.20493	4.2
257.19070	14.4
275.20081	63.7
276.20325	3.7
282.31250	2.4
289.21533	2.5
293.20972	10.3
307.22705	11.2
335.25748	6.7
349.23557	6.4
380.14938	2.1
609.45074	5.5
641.47784	58.5
642.47693	8.6
673.38196	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	642.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
51.74369	1.2
53.03957	8.1
55.05510	2.2
55.21956	1.2
67.05505	4.8
69.03113	10.1
69.03445	7.7
71.05004	1.6
79.05484	6.4
81.03419	18.7
81.07062	5.2
85.02908	7.7
86.09705	2.8
91.05479	3.0
92.37631	1.3
93.07062	3.3
95.04967	7.9
95.08600	3.0
97.02892	12.1
97.46984	1.4
99.04457	2.8
105.03392	100.0
105.07015	2.1
106.03745	2.4
107.04943	1.9
107.08605	2.0
109.02879	11.7
109.06524	1.3
109.10173	1.6
115.05485	2.2
121.06587	2.2
122.03668	2.3
123.04443	9.6
127.03915	10.9
129.07039	2.4
131.04956	1.5
131.08635	1.5
133.06488	1.8
137.05977	26.7
139.03944	2.1
143.04930	3.2
145.04918	2.2
145.06557	1.8
150.49782	1.5
151.07570	2.6
157.06482	2.2
160.05219	4.9
175.07550	29.3
184.07306	3.0
187.07544	8.4
189.09003	3.2
205.08626	5.6
217.08595	1.6
235.09688	5.1
249.07571	27.0
263.10782	1.5
267.08578	9.9
277.55832	1.4
279.10315	1.4
291.10397	1.7
317.21072	3.0
335.22260	2.1
341.14032	2.2
341.21161	1.9
568.32562	1.4
642.22260	3.4
642.31793	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	642.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.89666	0.8
57.76389	0.9
60.03546	0.9
62.01558	0.9
65.02812	0.7
67.05512	2.3
69.03442	1.5
79.05486	7.6
81.03420	3.8
81.07069	2.0
85.02917	2.3
89.03934	3.0
91.05486	10.6
93.07044	18.6
95.05000	3.6
95.08617	1.2
98.23368	1.9
103.05460	4.0
105.07044	4.2
107.08584	5.6
108.08183	1.1
109.02893	1.9
109.06491	1.1
110.09641	1.0
111.04472	0.9
117.03382	12.8
117.46997	0.9
119.08569	1.2
121.06506	38.0
121.10157	12.2
122.06857	1.6
127.03922	0.9
131.08589	2.2
134.03694	1.2
137.05994	1.7
138.09183	2.3
139.21666	1.0
145.02855	48.8
145.23627	0.8
146.03127	1.0
147.04352	1.0
149.05974	4.8
149.09636	6.3
151.03949	0.9
163.03896	0.9
166.08578	1.3
167.07066	2.7
172.03978	1.9
177.05478	93.6
178.05809	4.4
184.07394	2.2
190.04977	1.1
204.06584	3.6
205.50342	0.9
269.12909	2.0
293.13974	1.8
297.12326	1.0
311.14771	1.2
314.13873	100.0
315.14154	7.5
324.09512	0.9
325.11859	1.7
329.21579	0.8
398.15112	1.2
399.15717	1.9
416.15912	1.8
446.17004	1.6
458.17181	3.2
598.28839	1.0
611.24988	5.8
642.31787	5.4
643.25952	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01878	3.4
55.05510	9.1
57.03434	2.4
61.02922	2.0
67.05507	23.9
69.03461	1.7
69.07076	7.8
69.22369	11.0
79.05501	15.8
81.03413	3.7
81.07060	24.6
83.08620	7.1
91.05488	28.8
93.07055	20.2
94.45663	1.6
95.04968	4.6
95.08601	14.6
96.63720	1.8
97.02892	1.9
97.06469	2.4
97.10192	2.8
105.07034	23.8
107.04970	2.0
107.08579	8.3
109.10176	7.4
117.06998	8.8
119.08592	17.2
121.10171	7.1
123.08102	3.1
128.06230	2.4
129.07010	7.2
131.08563	20.8
133.10098	9.3
135.11719	3.3
141.06911	2.0
143.08545	8.2
145.10104	9.9
147.11681	3.0
155.08583	3.2
157.10141	6.2
159.11723	5.6
169.10123	5.2
171.11784	4.7
173.13138	1.8
181.10068	2.9
183.11723	2.5
185.13278	3.2
197.11531	1.7
197.13269	2.6
211.30133	1.7
277.21469	2.5
343.26254	2.2
353.24786	4.9
371.25870	4.8
389.26791	7.3
436.18134	2.0
445.29523	100.0
446.29916	12.4
463.30515	35.2
494.61996	1.9
544.37134	6.4
545.38409	7.3
597.33478	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	642.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.01865	1.7
55.05512	9.0
57.03444	2.2
61.02931	3.3
67.05508	19.1
69.07072	7.2
69.12751	11.5
79.05501	14.9
81.03408	1.6
81.07065	20.7
82.07378	1.5
83.04979	1.6
83.08635	6.7
91.05486	22.2
93.07049	17.8
95.04996	3.5
95.08610	13.4
97.02922	1.8
97.06525	3.7
97.10172	1.7
105.07030	19.6
106.07379	1.7
107.04981	2.9
107.08586	10.5
109.06499	2.2
109.10160	4.1
110.77231	1.5
111.04325	1.6
111.08048	2.5
117.07027	10.2
119.08588	14.6
121.06516	2.8
121.10124	7.6
129.07030	6.8
131.08578	16.2
133.10139	10.7
135.08095	1.6
135.11743	3.0
141.07013	1.8
143.08577	7.5
145.10132	10.9
147.08098	2.6
147.11736	5.2
149.09712	2.0
155.08623	3.8
157.10147	5.6
159.11723	6.4
161.13390	1.7
163.11288	1.9
165.12747	2.3
169.10205	3.4
171.11670	4.2
177.63118	1.6
185.13261	3.7
187.11400	1.6
187.14812	1.9
195.11693	1.8
197.13223	2.1
199.14841	2.6
207.59230	1.6
211.14851	1.9
274.18790	1.7
275.20163	2.1
276.20493	1.7
277.21603	2.6
325.25403	1.7
343.26334	2.1
347.39395	1.4
353.24649	2.7
371.25708	5.5
389.26956	7.9
416.03900	1.5
445.29504	100.0
446.29813	9.6
451.09293	1.4
463.30652	23.0
464.30707	2.3
527.37335	4.3
544.36938	4.6
545.38464	7.5
642.44183	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	642.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.9
57.07078	32.3
63.10123	2.9
67.05499	10.0
69.07056	8.5
69.11910	20.2
71.08636	33.5
73.06561	9.6
76.70650	2.8
79.05466	7.0
81.03424	3.3
81.07066	11.2
83.08612	9.7
85.10193	19.2
87.04468	6.8
89.06040	100.0
91.05508	7.9
93.07080	6.2
95.04972	3.3
95.08608	7.8
97.10184	8.1
99.11739	4.4
104.56395	2.7
105.07008	4.9
107.08587	3.3
109.10133	3.8
117.09126	8.2
119.08562	6.2
121.10170	3.0
131.07104	4.1
131.08556	5.0
133.08618	49.1
133.10123	4.9
143.69464	2.8
159.11664	3.2
177.11234	25.8
239.14894	3.5
242.71245	2.9
247.24286	2.9
275.20020	4.2
276.20309	3.0
291.19604	7.0
292.12549	2.9
299.29605	3.2
327.19696	3.3
474.98428	3.6
625.48846	5.0
643.25391	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	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47363	14.0
55.05500	45.9
57.07082	54.9
67.05514	100.0
69.07062	38.0
71.08628	38.5
71.28691	20.6
73.44281	14.5
79.05492	57.9
81.03408	22.1
81.07072	79.5
83.04993	24.4
83.08639	43.8
85.10184	62.4
93.07059	49.4
94.70767	15.2
95.04977	15.8
95.08611	65.6
105.07032	35.5
107.08617	17.9
109.10172	47.6
119.08621	17.1
135.11761	18.1
147.11740	18.4
165.12717	20.6
177.60214	16.9
180.47707	16.0
253.73094	17.0
261.72797	14.3
277.21545	52.0
279.81274	14.9
295.22684	88.7
313.27271	80.2
351.25391	25.2
369.26437	20.4
389.47641	19.3
507.40182	37.7
522.62469	16.1
589.47833	27.4
607.48785	55.0
643.44751	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91189	1.5
53.03962	1.5
54.82220	1.4
55.05522	8.4
57.03434	5.5
57.07080	28.1
65.03919	1.5
67.05505	30.2
69.07072	12.9
70.94766	2.2
70.95118	1.9
71.08639	20.1
79.05499	17.6
81.03415	1.8
81.07059	36.7
83.04973	5.5
83.08627	12.9
85.06538	2.6
85.09734	1.7
85.10172	10.1
91.05475	15.4
93.07048	21.0
95.04971	6.9
95.08617	19.9
97.06528	4.7
97.10148	3.9
99.08087	3.3
105.07022	6.3
107.08612	9.1
109.06551	2.2
109.10165	10.9
109.27756	1.5
111.08075	2.8
117.07047	5.0
119.08587	3.4
121.10189	4.1
123.11714	3.0
129.31184	1.5
131.08557	5.4
133.10149	3.8
135.11703	4.5
139.11150	2.3
141.98189	1.2
142.41786	1.2
147.11736	1.8
147.81920	1.3
149.13274	6.1
151.11186	6.4
156.09691	1.4
159.11717	3.2
165.12796	1.8
177.12724	2.2
195.13843	6.4
233.15274	1.9
239.23618	3.9
239.41774	1.5
241.19666	1.8
245.81192	1.6
251.16261	2.0
259.20703	2.8
269.17484	10.6
277.21677	6.4
313.27356	32.5
314.27707	2.0
351.25287	9.7
467.37201	2.3
507.40448	100.0
508.40833	15.5
576.95233	1.6
589.48181	5.5
610.28967	1.6
643.45453	2.2
669.38843	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	642.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	24.6
55.05510	36.4
57.03446	12.1
57.07076	61.3
67.05507	63.5
69.07067	27.6
70.80164	6.4
71.08630	59.7
79.05501	25.3
81.07063	75.4
83.04975	10.9
83.08624	33.4
85.10193	27.0
88.32436	3.6
91.05475	30.0
93.07039	31.3
95.04971	11.5
95.08602	43.0
95.63066	3.8
97.06523	11.0
97.10165	9.1
99.08094	9.9
105.07028	23.9
107.08575	19.9
109.06491	4.6
109.10143	25.5
111.08076	34.3
113.09672	5.2
117.07055	6.4
119.08595	15.4
121.10152	12.8
123.11706	12.5
129.07048	5.0
133.10112	18.5
135.11697	4.7
147.11699	18.2
149.09642	6.3
149.13261	8.9
151.11162	8.4
156.11694	3.9
157.10240	5.0
161.13283	6.3
165.12791	14.9
167.14316	4.5
177.12881	4.1
179.14348	7.1
211.90746	4.2
239.23686	6.7
257.24887	3.8
259.20618	6.9
277.21619	71.7
278.21942	7.7
295.22757	27.4
296.22025	3.6
313.27344	100.0
314.27701	8.1
351.25357	28.2
369.26318	49.5
441.76575	3.9
492.90036	4.4
507.40289	9.5
530.54321	3.7
549.69476	4.0
589.48334	38.3
590.48767	8.4
607.49188	49.6
608.49292	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	643.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
69.18613	1.2
70.06574	0.2
73.58421	0.2
81.03409	0.2
91.05444	0.2
93.06990	0.3
97.02888	0.2
100.11237	0.7
107.02132	0.1
111.04434	0.4
114.90051	0.1
117.03363	0.5
118.69523	0.1
119.04943	0.2
121.06522	2.0
128.07018	0.2
131.04884	0.5
135.04417	0.2
137.02351	0.5
137.05966	0.8
140.06171	0.2
145.02867	0.9
149.05992	0.3
151.03915	1.4
153.01849	2.2
155.07030	0.3
158.07281	0.8
160.07610	0.4
163.03905	1.1
164.07031	0.5
167.03358	0.2
167.07039	0.2
168.05719	0.4
169.06422	0.2
173.05945	0.2
177.05487	2.0
178.02522	0.2
178.08559	0.3
182.15460	0.9
185.05965	0.6
186.06766	2.3
196.05273	0.7
197.05972	0.3
201.05452	0.2
203.03383	0.8
205.08690	0.2
210.14871	0.7
211.15269	0.2
213.05446	1.6
214.06244	2.1
224.04715	1.0
225.05441	0.7
241.04927	0.5
242.05757	3.2
252.04250	0.7
253.04948	1.1
269.04483	0.7
270.05231	24.4
271.05640	1.4
273.03867	0.6
281.04285	0.8
285.04001	0.6
286.04730	0.7
287.05481	2.9
288.05988	0.3
297.03912	3.9
298.04721	9.7
299.05466	3.2
300.05988	0.2
301.03354	0.3
302.04135	2.1
315.04993	9.2
316.05777	9.3
317.06003	0.4
329.14023	0.9
330.13461	1.9
331.08115	100.0
332.08475	6.4
624.43170	0.3
625.42139	0.3
642.43750	0.2
643.16815	1.8
643.44958	0.2
644.16760	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	643.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.1
53.03957	0.1
65.03937	1.7
65.04248	0.2
67.05474	0.1
81.03445	0.2
87.46350	0.1
89.26533	0.1
91.05479	14.4
92.05821	0.4
93.07066	0.1
97.02873	0.1
98.23457	0.2
100.83253	0.1
107.01572	0.1
109.02866	0.7
119.04941	29.0
120.05250	0.7
121.06528	0.1
127.03945	0.4
137.05913	0.2
147.04405	100.0
148.04741	3.5
158.33727	0.1
167.07072	0.3
181.04965	0.3
229.08539	0.2
273.07578	1.6
315.08600	0.1
464.52811	0.1
643.32489	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	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03942	1.7
55.01874	2.0
59.17883	0.5
65.03944	7.0
66.04720	0.6
67.05512	3.0
68.99789	0.7
69.03426	2.3
69.81313	1.1
69.81712	1.5
71.01363	1.2
77.03947	0.9
78.04710	2.1
79.05502	6.1
81.03422	3.5
81.07062	1.1
82.04196	2.0
83.04996	0.6
85.02910	4.2
91.05492	5.9
93.03397	1.3
93.07052	1.9
94.04198	0.8
95.04964	4.3
97.02917	0.6
97.06528	1.8
100.11276	0.7
101.02374	0.5
102.04723	1.3
103.05475	17.7
104.05823	0.6
105.03411	3.1
105.04513	0.7
105.07047	6.7
106.04185	1.5
107.04958	9.6
107.08612	0.5
108.02096	1.5
109.06523	1.7
110.03675	2.3
111.04446	2.4
115.05463	6.9
117.03434	0.6
117.07019	5.5
118.04172	4.6
119.04962	3.3
119.08556	0.7
120.05733	0.9
121.06509	6.1
122.03616	1.7
123.04442	8.2
124.05286	2.9
125.06004	4.8
127.05414	0.5
127.07494	0.5
128.06276	0.5
129.07022	1.1
130.04141	1.6
131.04935	17.9
131.08589	0.9
132.05672	1.7
133.02867	4.3
133.06509	7.3
134.03647	1.2
135.04420	0.5
135.08061	1.4
137.05998	7.0
138.03130	1.3
139.03940	0.9
140.04709	1.4
141.06992	1.3
142.02635	2.7
143.04948	1.3
143.06160	0.5
144.05663	2.3
145.02858	0.6
145.06476	8.7
146.03633	1.7
146.07147	0.5
147.04414	3.1
147.08054	2.1
148.05203	10.6
149.05991	3.9
151.03928	4.0
151.07521	1.9
152.04700	2.1
153.05469	5.8
155.06001	1.6
155.07065	2.9
156.05698	1.3
157.06516	0.8
159.04382	0.8
159.08054	1.6
160.05148	1.3
161.05975	6.6
162.06757	1.5
163.03905	0.9
163.07555	19.6
164.08052	0.6
165.05496	6.7
165.06883	0.7
165.09099	0.9
166.02609	0.9
166.06227	1.0
167.07047	80.3
168.07428	3.7
169.06543	0.6
171.04350	0.6
171.06549	3.6
172.05219	0.6
173.05978	11.1
174.06683	1.4
175.03894	0.7
175.07585	3.5
176.04720	1.8
177.05495	4.1
177.09145	0.8
178.06129	0.6
179.07071	2.2
180.07837	1.6
181.04965	100.0
182.05363	3.4
183.06506	0.6
187.04047	0.6
187.07504	2.8
189.05540	1.5
189.09178	0.7
190.06227	1.7
191.07037	83.0
192.07405	4.1
193.04980	4.6
193.06551	0.8
193.08557	2.6
195.06535	3.4
195.08034	0.8
196.05093	0.5
197.06157	0.7
197.08136	1.5
199.07458	0.6
201.05499	2.1
202.06261	0.9
203.06949	2.4
205.06686	1.0
205.08638	4.2
207.06470	4.9
207.08218	0.9
207.10245	1.6
208.07266	3.9
208.08839	0.5
209.06099	0.8
209.08037	3.7
210.14987	0.5
211.07649	0.6
213.05374	0.6
217.08572	3.1
219.06502	0.8
219.08237	0.7
219.10126	5.7
221.06160	0.7
221.08107	2.1
223.07520	1.0
225.07542	11.5
226.08337	1.9
229.08554	0.8
231.06505	1.1
233.05989	1.0
233.08107	7.8
234.08630	0.7
235.07478	2.5
235.09685	7.0
236.08054	0.9
237.08966	0.7
241.08551	0.6
245.08153	1.6
247.09747	1.0
248.08273	0.7
249.05412	0.7
251.06937	0.9
253.08444	0.6
259.09540	0.6
263.09195	14.4
265.08401	0.7
267.06439	0.5
267.07532	0.5
267.10107	3.0
268.10953	0.5
279.06537	0.6
279.10062	0.7
281.07990	0.7
283.09790	0.6
292.07016	0.6
293.07928	0.5
295.09628	1.9
296.09964	0.8
297.08023	0.6
297.11258	1.8
301.10510	0.7
307.09689	1.2
308.06671	0.6
309.07590	0.7
309.11194	0.7
311.09338	0.7
317.06601	0.8
323.09085	2.1
324.09497	2.0
325.10553	4.7
327.12119	1.0
329.10156	1.3
329.13797	0.5
335.09058	1.0
337.10602	1.2
339.12259	1.3
343.11694	0.9
353.10217	1.1
355.11884	1.1
357.13290	5.3
358.13647	0.6
359.15024	1.1
367.11734	2.1
369.13376	1.0
371.14972	1.1
381.13443	1.3
385.12796	8.5
386.13025	0.9
387.14355	5.2
399.14420	2.8
417.15457	20.6
418.15634	2.1
448.17581	0.9
462.18506	1.1
642.46167	2.6
643.23376	1.0
643.45325	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	643.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
53.03951	5.4
54.95787	0.8
55.01883	1.7
65.03947	2.2
67.05499	1.3
77.03944	2.3
79.05502	2.8
81.03445	1.5
81.07073	2.1
89.03923	6.1
91.05486	25.7
92.05821	1.3
93.07046	24.9
95.04996	5.5
98.22521	1.2
103.05478	16.7
105.03429	4.6
105.04526	1.9
105.06998	2.1
107.04964	3.5
115.05456	2.1
117.03386	14.5
117.07034	2.0
119.04956	13.7
119.08584	1.2
120.05759	1.9
121.06512	100.0
122.03651	2.0
122.06835	2.6
124.73518	0.9
131.04919	1.4
133.02859	85.3
133.06517	1.7
133.10178	1.2
134.03212	1.8
134.06058	4.1
135.04477	5.4
136.07579	5.0
137.05997	14.7
137.96716	0.9
143.04919	1.4
145.02858	37.6
145.06505	2.6
146.03271	1.0
146.05969	1.4
147.04387	9.0
149.05983	18.5
149.07080	1.4
150.06750	10.9
151.07523	1.4
153.01843	2.6
157.04050	2.0
158.03616	3.2
161.05998	9.4
162.03149	1.3
164.07106	11.6
165.05521	9.4
167.07007	1.7
173.05969	6.8
175.03922	18.8
177.05482	74.1
178.05862	3.0
181.05086	1.4
186.03085	2.0
191.07069	1.9
192.06526	7.5
194.07304	1.0
201.05476	44.2
202.05827	2.1
205.06523	4.1
219.08147	1.0
222.06644	1.3
222.12752	0.9
233.05992	3.8
234.06625	1.6
237.09100	1.2
245.00899	0.9
247.07466	1.8
249.05563	2.6
250.06212	3.1
261.05661	1.6
262.15417	1.1
264.07932	1.7
265.05084	1.4
265.08679	2.8
277.04950	1.4
292.07312	4.2
293.08154	2.9
300.13477	1.1
307.09558	4.6
308.06836	2.3
312.12302	14.1
312.15640	1.6
313.12732	1.5
314.13882	3.9
325.10715	36.5
326.11127	3.5
337.11700	1.2
338.14026	4.4
351.08548	1.4
386.56967	1.0
458.16708	1.2
462.19150	85.3
463.19589	8.7
481.29868	1.9
488.17374	3.2
507.95334	1.1
522.22388	2.0
588.28741	1.0
611.24719	2.1
643.27307	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	643.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51694	0.8
51.02378	1.1
53.03950	2.4
55.01869	1.8
59.59153	0.7
65.03938	1.5
67.05485	1.9
67.61549	0.9
69.03439	0.9
71.34166	1.1
77.03911	1.1
79.05511	1.8
81.03429	1.5
91.05488	15.0
92.05763	0.9
93.07052	19.2
94.04202	0.9
94.07397	1.2
94.10532	0.8
95.04990	6.1
98.70383	0.9
103.05467	15.0
104.05757	0.8
105.04497	1.2
105.07047	1.7
107.04961	3.1
107.08609	1.1
109.06560	1.1
111.04442	2.1
114.67966	0.8
115.05479	5.1
117.07027	3.2
119.04969	1.9
120.05753	2.3
121.06514	100.0
121.10136	1.7
122.03674	2.6
122.06841	4.8
123.04436	2.7
125.05989	2.1
130.04152	1.7
131.04922	6.1
133.06491	2.2
135.04414	1.8
137.05986	36.2
138.05455	2.0
143.04939	5.6
145.02837	1.9
145.06490	2.3
146.03583	1.0
147.04401	2.8
148.05159	1.3
149.05968	1.4
149.09637	2.1
151.03928	16.4
151.05028	1.5
151.07498	1.6
152.07063	5.8
153.01862	1.6
153.05525	0.8
159.04407	1.8
160.05209	6.8
161.06017	5.3
162.06744	3.1
163.03902	3.8
163.07544	3.1
164.07069	3.7
165.05527	0.8
165.06883	0.8
166.04993	1.3
167.07048	9.8
173.06021	1.9
175.07571	12.6
176.04790	0.9
176.06285	0.8
176.07915	1.4
177.05466	2.3
177.06976	1.8
177.09100	1.2
179.07077	1.8
181.04984	11.8
181.06464	1.6
186.03020	1.0
187.03871	1.1
188.04727	1.2
189.05461	8.7
191.07042	8.9
201.05423	29.8
202.05838	3.5
203.07147	4.0
205.06371	5.7
209.07974	1.1
221.05962	1.6
222.06764	4.6
233.05994	3.5
234.06985	1.3
235.07484	2.5
237.09122	10.1
239.07161	1.5
244.06050	1.7
247.07660	1.3
249.05394	1.4
250.06252	5.8
251.07022	2.6
262.06104	0.9
263.07065	1.9
263.09467	0.9
264.07623	1.4
265.08618	18.0
266.06003	1.1
266.09225	2.6
267.06519	3.9
267.09860	1.0
272.12845	11.9
278.05899	1.6
279.06485	1.6
280.07050	1.1
281.07993	1.5
282.08893	3.3
284.10208	1.6
292.07187	2.1
293.08096	11.3
294.08725	2.7
297.11176	3.9
299.12704	2.9
301.03400	2.5
302.04214	2.8
303.05005	2.5
307.09573	1.9
308.06824	2.0
309.07547	3.2
310.08032	6.1
311.08566	1.8
315.08716	2.2
316.05792	1.8
317.06601	8.5
323.09155	4.1
325.10696	37.7
326.11081	2.2
331.08212	4.3
332.08362	0.8
338.13852	5.1
342.13266	1.7
354.13400	15.0
355.13660	1.5
364.11734	2.2
368.11276	1.0
385.12903	2.2
399.15060	1.0
417.15598	2.1
448.17230	1.9
460.17435	2.6
462.19125	78.3
463.19382	8.7
475.15723	1.3
476.16351	1.9
478.17413	1.3
488.17047	22.9
489.17319	1.8
643.23407	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	643.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01625	0.5
51.02383	0.9
53.03941	2.1
55.01880	0.6
61.42673	0.4
65.03942	1.2
69.03197	1.6
69.03620	2.1
77.03923	0.7
79.05498	1.0
80.73337	0.5
81.03432	0.5
81.07062	0.5
85.02883	0.5
89.03910	0.8
91.05479	9.8
93.07045	12.6
95.04971	2.8
98.23415	0.5
102.04672	0.5
103.05467	12.9
103.06148	0.9
105.04485	1.0
105.07034	1.1
107.04984	1.0
109.02867	0.4
110.03656	0.6
115.05431	2.9
117.03400	1.3
117.07016	1.5
119.04935	0.9
120.05749	0.4
121.06506	100.0
122.03651	1.0
122.06831	3.1
123.04420	1.8
125.05988	1.6
130.04150	0.9
131.04921	10.9
132.05583	0.4
133.06488	1.0
134.71855	0.4
135.04430	0.8
135.08031	0.8
136.07573	0.6
137.05974	18.3
138.09155	1.2
139.03902	0.9
139.96696	0.4
141.03377	0.5
143.04938	3.5
145.02837	3.6
145.06479	1.4
146.03258	1.5
146.05997	0.7
147.04312	2.0
147.08002	0.4
148.05153	0.6
148.07581	0.6
149.06046	0.7
151.03883	2.1
152.07068	8.8
153.01912	0.5
159.04419	1.3
160.05186	3.9
161.05986	2.5
162.06720	1.8
163.07571	3.4
164.07056	13.2
167.07054	5.0
173.06000	1.2
175.07550	10.1
176.04689	8.6
176.08018	0.5
177.05487	6.0
177.06985	0.7
178.05876	2.4
178.07477	0.4
179.05920	0.7
181.04927	3.5
186.03186	0.8
189.05508	3.2
191.07030	18.5
192.07393	1.0
194.07309	0.8
195.04410	0.6
197.06007	0.6
198.06816	1.6
201.05406	15.6
202.05789	0.7
203.07048	1.6
205.06328	2.2
207.08080	0.8
212.04745	1.2
217.04980	1.2
220.05070	0.4
222.06693	1.5
226.06255	1.4
227.06989	0.6
229.04999	1.5
233.06009	1.9
234.07477	0.6
235.07515	1.3
235.09692	0.5
237.09064	4.4
240.71707	0.4
244.06076	0.6
249.05365	0.8
250.06285	1.7
251.06876	0.8
254.05740	8.5
259.09656	13.7
263.06824	0.8
264.07904	0.5
265.05612	0.6
265.08551	8.2
266.09229	0.8
267.10110	1.0
271.06000	1.6
272.12814	26.3
273.13013	1.7
281.04428	1.5
281.07947	0.4
282.05252	3.9
282.08853	2.3
284.10516	2.0
286.04999	0.6
291.06567	2.2
292.07211	0.8
293.08081	2.7
294.08569	0.5
297.11194	3.7
299.05536	2.9
299.12750	6.8
300.06247	3.3
302.04135	0.8
303.04813	0.7
307.09674	1.3
308.06860	0.7
310.08197	1.3
315.08609	31.6
316.09058	2.5
317.06509	1.5
323.09125	4.7
325.10675	11.8
326.11008	0.6
328.15323	1.5
338.14001	2.1
342.13031	0.7
354.13361	22.8
355.13715	2.1
364.11658	2.8
385.12790	1.5
417.15176	0.6
460.17569	4.4
461.17465	0.6
462.19107	28.2
463.19522	3.5
467.20316	0.7
488.10425	0.9
488.16992	11.3
489.17596	0.9
506.18091	0.9
511.12436	1.3
512.12946	0.5
625.23071	7.3
626.22961	1.4
643.23718	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	643.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.8
51.02374	1.7
52.76315	0.7
52.96945	0.7
53.03947	4.3
55.01871	0.9
65.03930	1.5
69.30243	4.9
73.33858	0.7
74.23389	0.6
77.03924	1.7
79.05479	1.5
89.03918	3.2
91.05479	18.7
93.03378	0.7
93.07044	20.2
94.04163	1.0
95.04977	5.1
103.05468	18.5
105.03378	2.9
105.04522	2.4
105.07038	1.2
107.04958	3.2
108.49322	0.7
115.05443	4.3
117.03393	6.8
117.07023	1.6
118.04138	1.4
119.04942	9.7
120.05727	1.3
121.06507	100.0
122.03651	1.9
122.06840	3.2
123.04443	2.9
124.05167	1.0
126.01970	0.7
130.04147	2.0
131.04933	5.2
133.02855	51.7
133.06516	2.2
134.03262	1.4
134.06017	3.1
135.04428	3.0
136.07564	2.9
137.05962	18.8
143.04900	3.2
145.02847	16.7
145.06488	4.5
146.03641	1.2
146.05902	0.9
147.04424	6.4
148.05217	2.9
149.05963	12.2
150.06784	5.0
151.03938	1.7
151.07541	1.6
152.07083	2.4
155.05975	1.0
157.04001	0.8
158.03653	1.4
160.05240	1.7
161.05969	6.6
162.06741	1.5
163.07556	4.3
164.07068	8.4
165.05516	5.5
167.07043	21.1
171.04643	0.7
173.05988	7.6
175.03905	9.9
175.07515	3.7
176.04428	1.2
177.05478	40.2
177.06769	1.4
178.05884	1.7
181.04967	6.5
186.03119	2.8
188.04747	1.0
189.05486	2.8
191.07028	17.1
192.06471	4.1
194.07394	1.3
201.05441	40.3
202.05864	2.3
205.06590	3.2
205.08574	0.8
207.25938	0.7
220.05238	0.9
221.05980	1.4
221.08147	2.1
222.06799	2.4
233.06010	3.6
233.07938	0.9
235.07513	1.7
237.09106	4.6
239.06978	1.0
244.06129	0.9
249.05577	2.1
250.06256	3.2
251.06683	1.0
261.05505	1.5
263.06998	1.7
264.07736	1.7
265.05908	1.0
265.08603	7.2
267.06589	1.4
272.12863	5.2
276.04181	1.5
278.05783	1.3
279.10416	0.9
282.08777	3.8
291.06616	3.9
292.07254	2.6
293.07950	6.1
297.11255	3.1
299.12863	0.7
307.09634	1.7
308.06741	2.3
310.08319	0.9
312.12286	10.4
314.13968	1.5
323.09027	7.3
325.10696	27.5
326.11032	2.8
338.13840	2.6
351.08578	1.7
354.13403	7.9
355.01840	0.7
364.11676	2.9
373.65469	0.8
387.14539	2.0
417.15350	10.3
460.17447	7.9
462.19107	74.1
463.19431	8.0
473.55869	0.8
488.17065	11.5
489.16962	1.0
511.12167	1.7
625.25256	1.4
639.25201	0.9
643.15826	0.9
643.25897	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	643.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
51.09171	0.6
53.03938	3.2
55.01872	0.9
65.03941	2.2
67.05502	1.8
69.86473	2.5
69.86883	1.4
77.03905	1.1
78.04723	0.8
79.05499	1.5
81.03416	1.8
81.07053	1.1
85.02886	1.0
91.04968	1.3
91.05493	14.6
93.07050	17.3
94.04178	1.6
95.04977	4.8
103.05483	15.7
105.04546	1.4
105.07022	2.2
107.04951	2.0
107.08595	1.1
107.39863	0.7
109.06519	1.9
110.03667	1.4
111.04453	0.9
115.05439	5.7
117.07027	1.8
119.04919	1.5
120.05708	2.3
121.06513	100.0
121.10145	2.4
122.03630	2.0
122.06834	5.5
123.04446	2.5
125.06011	2.4
130.04166	1.8
131.04968	5.9
133.06491	1.4
135.04465	1.0
137.05986	37.1
138.05505	1.2
138.06415	1.0
143.04922	7.6
144.05644	1.3
145.02847	1.4
145.06487	1.8
146.03667	1.2
147.04449	3.0
148.05161	1.1
149.09619	2.1
151.03914	14.1
151.05092	1.2
151.07558	1.6
152.07051	4.4
153.05464	1.3
155.06073	0.9
157.02887	0.8
159.04457	0.7
160.05225	5.0
161.05960	5.9
162.06758	3.1
163.03888	3.1
163.07567	3.1
164.07103	3.5
165.05579	1.1
165.07056	0.7
166.05045	1.3
167.07057	9.7
173.05972	1.9
174.05458	1.0
175.07567	12.9
177.05432	1.9
177.06937	1.5
177.09142	1.2
179.07088	1.2
181.04965	8.7
182.05405	0.8
186.03209	1.1
188.04659	1.4
189.05472	9.9
191.07088	7.8
194.07260	1.9
201.05412	27.4
202.05832	1.6
203.07089	3.6
205.06409	6.6
207.08130	1.2
209.07932	1.0
218.08141	1.2
219.06386	1.0
221.06136	1.0
222.06786	3.4
233.06036	5.2
233.08083	1.5
234.07274	1.4
235.07430	2.3
237.09065	8.9
238.09511	0.9
239.07011	2.1
244.05975	1.1
248.04892	1.1
249.05302	1.0
250.06221	4.8
251.07056	2.3
253.08372	1.0
259.09842	0.9
263.06958	1.9
264.07703	3.2
265.08606	18.7
266.09137	1.4
267.06454	2.6
272.12827	12.4
273.13528	0.9
278.05746	1.7
279.10181	0.8
280.07169	1.2
281.08051	1.0
282.08792	4.2
284.10370	1.3
291.06622	2.1
292.07123	1.6
293.08112	12.3
294.08783	2.2
297.11108	3.7
299.12717	3.8
301.03464	2.3
302.04239	3.3
303.05042	2.9
307.09628	2.1
309.07559	3.4
309.10886	1.0
310.08157	5.8
311.08456	3.0
312.09415	0.8
315.08719	2.0
316.05786	2.4
316.12198	1.0
317.06592	8.0
323.09164	3.1
325.10715	36.3
326.10916	2.0
331.08163	4.7
338.13889	3.9
354.13440	11.7
364.11819	2.4
385.12778	2.1
417.15137	1.5
418.62387	0.8
460.17514	2.8
462.19144	73.6
463.19565	8.6
475.15869	2.1
476.16290	1.9
478.17361	0.9
488.17072	22.5
489.17407	2.1
507.94186	1.0
524.32965	0.8
625.23895	1.2
643.23273	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59694	0.9
53.03935	1.0
54.35635	0.8
67.05502	2.8
69.07071	1.0
69.13595	2.5
69.14005	3.2
79.04107	1.0
79.05482	2.6
81.03401	1.6
81.07076	1.8
87.93430	1.0
91.05488	3.2
93.07048	5.5
94.06552	4.2
95.04943	1.1
95.07347	3.4
96.08128	9.9
105.07061	1.1
108.08117	9.1
110.09695	14.0
116.05000	1.3
120.04467	1.5
120.08111	9.8
121.06475	1.4
122.06075	2.3
124.07591	4.1
133.10234	1.1
134.06113	1.1
136.07576	10.6
138.09140	17.6
144.04448	1.4
146.06021	2.3
148.07559	4.0
150.09111	1.3
152.07097	1.6
162.05617	1.6
166.08641	17.9
167.07127	1.9
171.07730	1.0
172.03905	8.0
177.05470	1.0
181.04932	1.0
190.04959	6.1
204.06570	12.0
211.08623	0.9
212.09344	1.1
217.72273	1.1
221.10689	1.0
225.10229	4.5
227.11850	5.3
235.08621	6.5
236.09422	2.3
237.10231	10.9
238.11024	6.6
239.11801	4.9
247.08630	4.6
247.67758	0.9
248.09392	6.8
249.10245	16.4
250.11026	20.7
251.11789	15.7
252.12390	2.5
253.09669	2.9
261.10211	7.0
262.10965	4.1
263.08356	3.0
263.11795	30.7
264.09006	3.5
264.12363	4.4
265.09723	5.5
265.13364	4.1
266.10349	1.9
267.11209	3.7
269.12894	6.3
271.10773	2.8
273.12354	2.0
277.09814	6.6
278.10324	3.5
279.11285	32.2
280.11884	2.3
281.09280	1.7
281.12827	4.5
282.09915	3.6
283.10782	3.4
284.11493	2.1
285.12384	2.1
287.11075	1.0
287.13730	5.3
289.09665	3.1
291.11282	15.2
292.11935	3.3
293.12836	4.1
294.10019	1.4
295.10773	4.6
295.14008	1.8
296.11441	2.1
297.12314	4.8
307.10770	14.1
308.10965	1.2
309.12338	11.3
310.12814	1.6
311.13940	3.7
313.11935	1.4
317.09140	1.5
318.09720	1.1
319.10703	3.3
321.12152	1.4
323.10211	4.8
323.13928	3.8
324.10876	1.2
325.11813	11.3
326.12750	1.1
327.13443	1.1
328.14392	3.3
331.16632	1.3
335.10321	7.5
336.10876	2.6
337.11826	22.8
338.12283	1.9
339.13501	2.2
340.14426	1.3
342.12265	2.8
342.16034	3.4
343.12915	2.3
344.17523	1.7
352.14514	1.2
354.12106	1.3
355.12894	16.7
356.13858	5.3
356.17801	1.7
357.14471	23.1
358.15152	3.4
367.12915	19.3
368.13443	2.5
369.14529	6.6
370.15417	2.6
372.17026	1.4
375.19543	1.2
384.13065	1.4
386.14462	1.5
398.14929	6.4
399.15781	7.2
400.16565	2.9
403.18890	6.0
404.15649	1.9
416.16034	6.5
417.16058	1.4
432.19101	2.3
440.15860	2.2
446.17325	5.6
447.18228	1.4
458.17142	14.8
459.17548	1.1
460.18555	4.4
470.15854	1.1
478.19745	1.4
488.18259	3.1
490.19647	11.2
491.19946	2.3
502.19730	1.8
504.20966	1.4
516.21747	1.0
520.20795	100.0
521.21277	18.7
522.22357	66.6
523.22516	7.4
565.23889	1.3
569.23505	2.6
593.23651	2.5
611.25043	23.9
612.24915	3.2
643.31360	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
59.85895	0.9
65.03940	1.9
67.05518	1.8
69.07081	0.9
69.85639	2.4
79.05497	2.6
80.05015	1.8
81.03435	1.7
81.07051	1.0
82.06598	1.6
86.09712	1.6
87.24357	0.8
91.05472	2.6
92.04996	1.3
93.05782	1.0
93.07056	4.3
94.06571	6.2
95.07345	4.7
95.08635	1.4
96.08136	8.6
97.06557	1.0
105.07008	1.0
105.39748	0.8
106.06537	1.4
108.04494	3.2
108.08121	11.7
110.06031	0.9
110.09692	11.3
113.22194	0.8
116.05018	3.0
120.04440	4.4
120.08112	9.4
121.06514	1.6
122.06043	5.8
123.04453	1.9
123.06776	1.0
124.07587	9.3
129.40851	0.9
134.06020	5.8
136.07574	10.5
137.06038	0.9
138.09155	12.9
138.60963	0.9
144.04451	8.8
145.02821	0.9
146.06023	7.4
148.07585	3.5
152.07057	2.6
160.03957	3.9
162.05466	6.2
164.07063	2.3
166.08656	15.8
167.07098	3.3
172.03938	28.6
172.05385	1.6
173.04362	1.1
173.66653	0.9
174.05484	2.5
176.07074	4.0
177.05571	1.1
182.09666	2.1
183.09100	1.3
184.07399	3.7
184.09895	1.1
190.05011	24.2
196.09877	1.3
197.10814	2.5
198.09337	1.0
199.08662	1.6
199.12354	2.8
204.06572	48.2
205.06941	1.4
209.10693	2.3
210.09326	1.4
210.11429	0.8
211.08638	4.5
212.09467	2.5
213.10350	1.2
214.11017	1.0
223.08722	1.5
223.12296	1.8
224.09425	2.5
225.10223	13.9
226.10887	1.6
227.11806	18.9
227.13846	1.6
228.12161	1.4
229.13567	1.0
235.08603	1.3
236.09416	2.4
237.10211	5.9
238.10977	2.3
239.11748	5.2
241.09692	1.5
241.13425	1.4
243.11368	0.9
245.12955	1.1
249.10219	3.4
250.10858	1.7
251.08090	1.9
251.11815	3.8
252.08842	1.4
253.09706	7.9
253.13503	1.5
254.10146	0.9
255.11316	2.4
261.10269	1.7
262.11069	0.9
263.08240	2.2
263.11798	1.2
264.08911	4.9
265.09875	3.9
266.10489	1.4
267.11273	4.2
269.12875	23.1
270.13242	1.2
271.10721	12.1
273.12259	8.5
277.09821	2.0
278.10309	1.7
279.07941	1.0
279.11285	4.1
283.10822	8.6
284.11615	5.5
285.12314	6.8
286.13123	1.8
287.13928	20.5
289.09644	1.5
291.11252	1.1
293.09485	1.3
293.12778	1.2
294.10120	1.1
295.10782	2.6
296.11707	0.9
297.12360	11.7
298.10965	1.0
299.14017	6.0
302.12961	1.2
307.10522	1.6
309.12415	0.9
311.14407	1.7
312.14890	1.9
313.12662	2.9
314.12918	5.1
315.13803	2.4
316.10931	1.8
316.14468	2.8
317.15302	1.2
323.10254	9.1
323.13687	1.7
324.11090	1.2
325.11838	31.6
325.15714	1.6
326.12247	3.1
326.16287	1.8
327.13623	7.9
327.17084	1.5
328.10815	3.6
328.14612	2.6
329.11591	1.7
329.15094	1.6
330.12515	1.4
330.15997	3.1
331.16699	2.7
335.10165	1.7
339.09839	1.2
339.13553	6.7
340.14291	1.7
341.11728	2.9
342.12296	9.9
342.16025	1.8
343.12997	8.9
344.13681	1.7
344.17603	1.3
352.14536	1.5
353.12250	1.3
354.12469	1.9
355.13211	3.6
356.13892	6.5
357.14444	10.9
358.15579	5.6
360.16974	1.0
365.11411	1.9
367.13095	3.2
368.17999	1.3
370.15741	6.0
371.16098	1.0
372.17307	1.4
378.18127	2.0
380.14047	2.2
382.12088	5.1
383.12390	4.7
384.13168	6.8
385.14050	2.3
386.14972	3.1
386.18661	2.9
387.15060	1.5
388.16632	1.9
390.17993	4.1
394.15512	1.5
396.13052	1.4
397.14600	1.3
398.15030	25.6
398.20279	1.2
399.15771	34.8
400.16321	4.4
401.13165	1.1
402.18271	1.6
404.15991	7.2
412.16571	1.1
414.18002	3.9
416.16061	21.2
417.16211	4.0
422.16803	2.5
428.16043	3.6
430.17862	4.1
431.18234	1.1
440.15845	6.6
441.16727	1.0
446.17142	22.0
447.17517	3.7
448.18390	1.6
458.17142	54.8
459.17374	5.9
460.18692	1.5
476.72049	0.9
478.19974	1.4
488.18274	1.4
490.19830	9.1
520.20795	11.9
521.21069	1.8
522.22137	1.6
543.61829	1.0
565.24237	2.5
567.26123	4.3
569.23932	12.1
570.23926	2.0
583.25458	3.4
593.23828	11.9
594.24091	2.2
611.25006	100.0
612.25330	13.6
643.27234	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
59.85895	0.9
65.03940	1.9
67.05518	1.8
69.07081	0.9
69.85639	2.4
79.05497	2.6
80.05015	1.8
81.03435	1.7
81.07051	1.0
82.06598	1.6
86.09712	1.6
87.24357	0.8
91.05472	2.6
92.04996	1.3
93.05782	1.0
93.07056	4.3
94.06571	6.2
95.07345	4.7
95.08635	1.4
96.08136	8.6
97.06557	1.0
105.07008	1.0
105.39748	0.8
106.06537	1.4
108.04494	3.2
108.08121	11.7
110.06031	0.9
110.09692	11.3
113.22194	0.8
116.05018	3.0
120.04440	4.4
120.08112	9.4
121.06514	1.6
122.06043	5.8
123.04453	1.9
123.06776	1.0
124.07587	9.3
129.40851	0.9
134.06020	5.8
136.07574	10.5
137.06038	0.9
138.09155	12.9
138.60963	0.9
144.04451	8.8
145.02821	0.9
146.06023	7.4
148.07585	3.5
152.07057	2.6
160.03957	3.9
162.05466	6.2
164.07063	2.3
166.08656	15.8
167.07098	3.3
172.03938	28.6
172.05385	1.6
173.04362	1.1
173.66653	0.9
174.05484	2.5
176.07074	4.0
177.05571	1.1
182.09666	2.1
183.09100	1.3
184.07399	3.7
184.09895	1.1
190.05011	24.2
196.09877	1.3
197.10814	2.5
198.09337	1.0
199.08662	1.6
199.12354	2.8
204.06572	48.2
205.06941	1.4
209.10693	2.3
210.09326	1.4
210.11429	0.8
211.08638	4.5
212.09467	2.5
213.10350	1.2
214.11017	1.0
223.08722	1.5
223.12296	1.8
224.09425	2.5
225.10223	13.9
226.10887	1.6
227.11806	18.9
227.13846	1.6
228.12161	1.4
229.13567	1.0
235.08603	1.3
236.09416	2.4
237.10211	5.9
238.10977	2.3
239.11748	5.2
241.09692	1.5
241.13425	1.4
243.11368	0.9
245.12955	1.1
249.10219	3.4
250.10858	1.7
251.08090	1.9
251.11815	3.8
252.08842	1.4
253.09706	7.9
253.13503	1.5
254.10146	0.9
255.11316	2.4
261.10269	1.7
262.11069	0.9
263.08240	2.2
263.11798	1.2
264.08911	4.9
265.09875	3.9
266.10489	1.4
267.11273	4.2
269.12875	23.1
270.13242	1.2
271.10721	12.1
273.12259	8.5
277.09821	2.0
278.10309	1.7
279.07941	1.0
279.11285	4.1
283.10822	8.6
284.11615	5.5
285.12314	6.8
286.13123	1.8
287.13928	20.5
289.09644	1.5
291.11252	1.1
293.09485	1.3
293.12778	1.2
294.10120	1.1
295.10782	2.6
296.11707	0.9
297.12360	11.7
298.10965	1.0
299.14017	6.0
302.12961	1.2
307.10522	1.6
309.12415	0.9
311.14407	1.7
312.14890	1.9
313.12662	2.9
314.12918	5.1
315.13803	2.4
316.10931	1.8
316.14468	2.8
317.15302	1.2
323.10254	9.1
323.13687	1.7
324.11090	1.2
325.11838	31.6
325.15714	1.6
326.12247	3.1
326.16287	1.8
327.13623	7.9
327.17084	1.5
328.10815	3.6
328.14612	2.6
329.11591	1.7
329.15094	1.6
330.12515	1.4
330.15997	3.1
331.16699	2.7
335.10165	1.7
339.09839	1.2
339.13553	6.7
340.14291	1.7
341.11728	2.9
342.12296	9.9
342.16025	1.8
343.12997	8.9
344.13681	1.7
344.17603	1.3
352.14536	1.5
353.12250	1.3
354.12469	1.9
355.13211	3.6
356.13892	6.5
357.14444	10.9
358.15579	5.6
360.16974	1.0
365.11411	1.9
367.13095	3.2
368.17999	1.3
370.15741	6.0
371.16098	1.0
372.17307	1.4
378.18127	2.0
380.14047	2.2
382.12088	5.1
383.12390	4.7
384.13168	6.8
385.14050	2.3
386.14972	3.1
386.18661	2.9
387.15060	1.5
388.16632	1.9
390.17993	4.1
394.15512	1.5
396.13052	1.4
397.14600	1.3
398.15030	25.6
398.20279	1.2
399.15771	34.8
400.16321	4.4
401.13165	1.1
402.18271	1.6
404.15991	7.2
412.16571	1.1
414.18002	3.9
416.16061	21.2
417.16211	4.0
422.16803	2.5
428.16043	3.6
430.17862	4.1
431.18234	1.1
440.15845	6.6
441.16727	1.0
446.17142	22.0
447.17517	3.7
448.18390	1.6
458.17142	54.8
459.17374	5.9
460.18692	1.5
476.72049	0.9
478.19974	1.4
488.18274	1.4
490.19830	9.1
520.20795	11.9
521.21069	1.8
522.22137	1.6
543.61829	1.0
565.24237	2.5
567.26123	4.3
569.23932	12.1
570.23926	2.0
583.25458	3.4
593.23828	11.9
594.24091	2.2
611.25006	100.0
612.25330	13.6
643.27234	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
67.05505	5.7
68.54102	1.5
69.03421	1.7
71.04983	1.6
79.05495	3.3
81.03423	3.3
81.07073	6.5
83.08642	1.6
83.17106	1.6
86.09718	4.4
91.05493	3.8
93.07051	6.3
93.80554	1.5
94.06580	7.7
95.04992	2.2
95.07386	2.4
95.08591	2.2
96.08137	9.3
105.07032	2.6
106.06590	2.0
107.08609	1.9
108.04496	3.4
108.08131	11.7
109.10183	3.9
110.09693	8.3
116.05004	4.7
120.04465	3.9
120.08102	8.9
122.06057	7.4
124.07578	10.3
125.00038	2.5
133.10144	2.2
134.06030	3.7
136.07593	12.7
138.09177	12.8
144.04446	7.6
146.05998	8.1
148.07596	3.2
151.11259	1.6
152.07127	2.6
158.62543	1.5
160.03986	3.4
162.05539	2.8
166.08655	17.3
172.03955	26.9
174.05510	2.9
176.07083	4.0
184.07375	13.5
190.04976	20.7
197.10696	2.8
199.12288	1.6
204.06575	44.4
205.06738	2.0
209.10681	1.9
211.08694	3.9
212.09332	3.1
221.10744	1.9
225.10213	12.5
226.11058	1.6
227.11801	16.0
228.83597	2.0
237.10210	2.0
239.11862	3.5
241.13448	1.9
243.11195	2.4
249.10289	2.8
251.11678	3.5
253.09769	5.5
255.11380	2.6
264.08905	3.3
265.09555	2.6
267.11185	4.4
269.12851	23.1
269.17697	2.1
270.13019	2.4
271.10870	8.1
273.12265	6.3
277.09912	2.4
278.10431	2.5
279.11252	5.0
283.10846	6.3
284.11603	4.2
285.12384	5.5
287.13864	19.2
296.11481	2.0
297.12418	9.1
299.14038	3.7
307.10779	1.8
314.12979	2.8
316.14307	2.2
323.10275	9.3
324.10901	1.9
325.11856	28.4
326.12598	2.3
326.16577	3.8
327.13449	5.0
328.10815	3.7
328.14389	3.9
329.15524	2.0
330.15881	3.1
339.13858	2.7
341.11588	3.5
342.12259	8.2
343.13016	10.7
344.13739	2.1
356.13879	7.9
357.14648	9.0
358.15546	7.0
370.15378	6.6
371.16147	3.0
382.11691	4.2
383.12512	5.5
384.13312	6.3
385.13391	2.4
386.14667	3.7
386.19016	3.1
390.18387	1.7
398.14944	24.5
399.15756	29.6
400.16263	3.1
402.18091	2.3
404.16074	7.0
412.16525	2.0
414.18237	4.8
416.16122	20.5
417.16412	3.5
422.16891	2.1
428.16028	3.8
440.15945	5.8
446.17068	20.9
447.17465	2.4
458.17142	55.7
459.17300	6.9
489.18307	7.4
490.19327	19.4
490.78308	1.7
491.19556	2.5
567.25824	7.5
569.24133	11.1
583.25195	4.9
593.24054	12.3
611.24963	100.0
612.25165	15.5
643.33215	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66267	1.0
53.03947	4.6
55.01880	6.4
55.05514	23.6
56.05860	1.2
57.03438	7.4
57.07071	2.4
61.02420	0.9
61.62669	0.9
65.03934	4.2
66.04719	1.0
67.05505	61.2
68.44500	0.9
69.03421	1.7
69.06690	1.2
69.07066	23.9
71.04989	4.8
73.06581	1.0
74.51912	0.8
77.03932	1.6
79.05495	59.7
80.05832	1.6
80.06257	1.1
81.03405	2.1
81.07057	100.0
81.71178	0.9
82.07384	3.0
83.04999	6.0
83.08619	12.0
85.06541	4.5
91.05482	67.7
91.95665	0.9
92.05801	1.3
93.07046	52.4
94.07368	2.1
95.04973	11.0
95.08606	40.2
97.06534	8.0
97.10159	1.6
99.08096	3.8
103.05458	2.4
105.04512	1.9
105.07033	64.6
106.07381	2.0
107.04956	7.8
107.08598	30.3
109.06528	18.4
109.10161	15.1
111.08093	4.9
113.09618	1.1
115.05484	2.8
116.06238	1.2
117.07021	16.9
119.06114	1.3
119.08584	56.8
120.08967	1.1
121.06512	4.9
121.10138	24.6
122.10454	1.3
123.08089	6.8
123.11711	9.4
125.09621	2.4
128.06250	2.8
129.05479	1.3
129.06996	12.6
130.07701	1.2
131.08563	25.4
132.09425	1.0
133.06491	1.8
133.10130	41.3
134.10503	1.2
135.08058	4.5
135.11684	15.9
137.09634	4.8
137.13257	2.1
139.11182	1.2
140.72618	0.9
141.06979	1.7
142.07793	1.9
143.08569	7.9
144.09126	1.0
145.10117	21.6
146.10641	1.4
147.08060	2.7
147.11691	46.3
148.11987	2.0
149.09619	8.8
149.13258	15.3
151.10080	1.0
151.11191	3.2
155.08569	2.8
156.09453	1.3
157.10153	11.6
159.08101	1.7
159.11684	19.7
161.09644	3.0
161.13266	24.0
162.13594	1.2
163.11198	8.5
163.14836	4.6
165.12776	8.7
169.10109	2.1
171.11673	9.4
173.09650	1.1
173.13243	13.3
175.11240	4.3
175.14815	13.2
177.12746	3.9
179.14313	1.7
181.10149	1.4
183.11691	2.9
185.13249	8.5
187.11224	2.7
187.14832	3.3
189.12758	3.0
191.12186	1.0
191.14284	3.2
193.12265	2.6
195.11888	1.1
195.13821	1.7
197.13335	2.2
199.14841	5.5
201.12796	1.7
201.16391	2.0
203.18004	1.2
207.13879	1.2
211.14984	1.6
213.16374	2.6
215.17967	3.3
229.08672	1.2
229.19524	3.1
231.17511	1.1
231.21011	5.7
239.17987	3.4
241.19514	26.2
242.19882	2.2
243.21042	1.1
247.20569	4.0
257.19049	7.6
259.20581	49.7
260.20947	3.6
273.18631	1.4
275.20056	38.7
276.20444	2.9
277.21616	4.3
278.28305	1.0
293.21103	10.0
297.22055	1.3
315.23151	4.7
331.22675	1.6
333.24231	48.1
334.24527	3.0
349.23697	8.6
351.25308	3.1
367.24802	23.5
368.25125	1.9
453.51831	1.2
515.38202	1.3
533.39716	2.6
551.40747	3.5
607.43640	5.2
625.44702	11.8
643.44971	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.6
53.03948	9.8
55.01880	16.4
55.05515	79.1
56.05836	2.4
57.03434	16.1
57.07082	5.5
59.05015	2.3
65.03945	6.3
65.07536	1.5
67.05511	94.2
68.05825	2.7
69.03429	4.7
69.07076	38.7
71.05004	12.0
71.08617	2.0
77.03940	2.8
79.05497	94.0
80.05827	3.6
81.03432	9.0
81.07063	90.3
82.07378	2.1
83.04995	18.5
83.08624	52.6
84.23651	1.6
85.02915	5.5
85.06542	9.1
87.04518	1.4
91.05486	100.0
92.05820	2.8
93.07049	92.9
94.07368	3.8
95.04975	87.8
95.08616	62.4
95.09238	2.4
96.05296	2.8
96.08941	2.5
97.06532	11.9
97.10175	19.0
98.06876	2.1
98.22626	3.5
99.04453	9.1
99.08112	5.7
103.05464	2.6
105.04555	2.8
105.07039	94.3
106.07349	2.9
107.04981	13.3
107.08604	67.2
108.08945	3.0
109.06520	13.4
109.10166	30.7
110.06921	1.6
111.04459	16.1
111.08102	12.2
113.09668	3.6
115.05430	3.2
117.07020	33.0
119.08591	85.0
120.08949	2.8
121.06496	10.8
121.10156	40.5
122.10474	2.0
123.08047	10.1
123.11716	7.0
125.09624	17.7
128.06204	2.5
129.05522	2.3
129.07007	19.8
130.07803	1.8
131.08569	45.4
131.09503	3.1
132.08908	2.9
133.06468	1.9
133.08609	2.2
133.10138	56.8
135.08092	8.6
135.11711	28.6
137.09627	5.2
141.06992	5.0
142.07855	2.5
143.08559	19.2
144.09186	1.8
145.09003	3.0
145.10132	47.4
146.10399	2.7
147.08018	8.3
147.11699	50.8
148.11975	2.5
149.09637	31.2
149.13264	13.8
151.11159	2.8
153.12688	2.1
155.08578	8.7
156.09314	1.9
157.10147	17.6
159.08075	1.9
159.11694	38.2
160.12064	1.9
161.09610	3.9
161.13261	38.7
162.13594	2.1
163.11191	27.2
163.14853	5.9
165.12784	4.1
167.08536	2.1
169.08878	1.6
169.10118	9.6
171.10262	2.2
171.11684	22.0
173.09598	2.8
173.11859	3.1
173.13260	20.1
174.13780	1.8
174.32941	1.8
175.11237	3.9
175.14825	20.4
177.12744	6.9
177.16481	1.5
181.10185	3.6
181.12196	4.2
183.11678	7.4
185.13268	13.7
187.11232	5.5
187.14777	10.4
189.11205	14.4
189.12692	3.0
191.10713	2.3
191.14360	4.0
193.12341	2.6
195.11699	2.8
197.11659	2.0
197.13322	6.7
199.14809	7.4
201.12802	2.3
201.16371	3.7
205.12276	6.5
209.13268	2.5
211.14891	3.3
213.16418	5.6
215.17981	4.1
217.19537	4.4
219.13724	2.0
221.13394	2.4
223.13280	57.9
223.15286	3.4
224.13562	2.6
227.12833	6.7
229.14366	2.1
229.19524	4.1
231.21123	10.2
239.17912	4.9
241.19521	41.2
242.19820	3.0
243.21031	2.5
247.75204	1.7
257.18994	11.9
259.20596	74.9
260.20981	4.7
261.22183	2.2
273.18542	3.1
273.22064	1.9
275.20081	60.2
276.20416	7.3
277.21741	7.8
287.23996	2.1
289.21838	2.3
291.19443	2.8
293.21133	34.9
294.21701	3.3
297.22278	1.8
315.23184	8.4
331.22791	2.1
333.24249	82.0
334.24481	6.1
335.25992	2.3
349.23706	4.3
351.25171	3.2
365.23328	2.8
367.24829	33.1
368.25073	2.7
423.32703	4.7
441.33560	2.0
460.92490	1.9
497.36298	3.6
499.33856	5.2
500.35034	2.1
515.37836	3.0
517.35205	3.6
533.39758	5.2
543.36658	1.8
545.37677	2.0
551.41278	3.2
607.43518	9.5
608.42450	1.6
625.44525	54.8
626.45105	7.3
643.45654	12.6
644.46222	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	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
53.03941	5.5
55.01881	12.6
55.05515	28.7
56.05839	1.6
57.03431	5.6
57.07067	3.9
65.03939	4.6
67.05507	68.6
68.05833	2.8
68.29356	1.4
69.03420	2.0
69.07070	27.8
70.07381	1.7
71.04993	4.9
71.08635	3.1
77.03959	1.7
79.05495	59.9
80.05833	3.1
81.03417	5.5
81.07060	100.0
82.07388	4.0
83.04977	8.4
83.08622	18.7
85.06538	5.6
85.10139	1.2
89.06013	3.1
91.05484	68.7
92.05828	2.4
93.07047	58.7
94.07368	3.5
95.01285	1.5
95.04971	15.0
95.08608	44.6
96.08923	1.8
97.06525	11.7
97.10172	5.8
99.08092	5.3
103.05475	2.3
105.04542	2.3
105.07032	65.9
106.07383	3.4
107.04947	9.1
107.08593	36.4
107.09286	2.0
108.08949	2.1
109.06522	16.9
109.10161	23.1
110.10491	1.5
111.04456	2.6
111.08067	7.0
112.58851	1.3
113.05988	1.5
113.09654	2.7
115.05460	2.0
117.07019	16.3
119.08583	50.9
120.08896	3.1
121.06519	4.0
121.10147	26.5
123.08075	7.5
123.11687	10.0
123.85362	1.2
125.09628	4.0
127.07595	2.3
128.06236	2.6
129.07013	10.9
129.24472	1.2
130.07814	1.6
131.08565	25.4
132.08925	2.6
133.06505	3.0
133.10129	39.3
135.08060	5.3
135.11691	17.3
137.09631	6.0
139.11176	2.0
141.06935	2.4
142.07831	1.3
143.08591	8.9
145.10115	23.5
146.10446	1.3
147.08022	5.9
147.11685	43.3
148.11972	1.6
149.09618	11.7
149.13261	10.6
151.11162	3.6
155.08559	5.2
157.10135	11.4
159.08043	3.1
159.11697	19.4
161.09669	3.8
161.13271	22.5
163.11159	9.9
163.14827	5.0
165.12740	8.5
167.08467	1.6
169.10107	4.0
171.11661	10.6
173.13246	9.5
175.11177	4.9
175.14848	9.6
177.12714	4.2
179.14302	4.2
179.77158	1.2
183.11710	5.1
185.13313	6.8
187.11226	2.1
187.14850	4.8
189.11198	3.0
191.14371	2.0
193.10150	1.3
193.12267	3.8
197.13277	2.9
199.14885	4.7
201.12799	1.4
201.16460	2.6
205.12144	1.8
207.11806	1.5
207.13754	1.2
211.14880	1.9
213.16475	2.0
215.18001	2.6
217.15910	1.7
217.19485	2.1
219.17514	1.8
223.13177	1.7
227.12770	4.2
229.19408	2.3
231.17375	1.9
231.20976	6.3
239.17989	3.6
241.19543	23.0
243.20880	1.3
247.20657	2.8
257.19034	12.2
259.20584	40.3
260.20950	2.6
261.22153	1.9
267.15881	1.9
273.18423	7.9
275.20056	42.6
276.20416	9.3
277.21616	10.0
278.21786	1.3
285.16891	1.3
291.19501	12.5
293.21045	9.7
315.23175	5.6
333.24249	37.7
334.24579	3.5
335.25827	4.8
346.50592	1.5
349.23688	9.2
350.23959	2.1
351.25388	3.9
365.23233	4.0
367.24771	20.2
368.25143	2.3
515.37811	2.4
533.39191	2.5
545.38000	2.9
551.40662	3.2
607.43329	5.6
608.44489	1.8
618.15802	1.4
625.44446	20.3
626.44983	3.0
642.55176	1.4
643.45636	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	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03950	5.2
55.01877	7.3
55.05515	20.4
56.05841	0.7
57.03435	6.4
57.07073	1.1
61.91531	0.5
65.03938	3.2
67.05508	43.5
68.05845	1.1
68.65544	0.5
69.03441	1.6
69.07070	11.9
71.04987	3.2
71.18215	0.6
71.28399	0.5
73.06576	0.6
75.04456	0.8
77.03942	0.6
79.05495	52.9
80.05834	1.7
80.06248	0.5
81.03428	3.7
81.07059	100.0
82.07399	2.0
83.04987	10.0
83.08611	9.5
84.05343	0.5
85.02914	4.1
85.06554	1.7
87.04456	0.9
91.05484	30.5
92.05814	0.6
93.07046	34.3
94.07397	1.1
95.01288	0.6
95.04972	13.3
95.08609	24.4
96.08923	1.0
97.06531	3.7
97.10166	6.5
99.04485	1.9
99.08092	2.0
103.05468	1.2
105.03429	1.1
105.04510	1.4
105.07032	20.3
106.07358	0.8
107.04955	5.9
107.08599	17.1
107.09284	1.1
109.06522	35.7
109.10159	10.6
110.06888	1.3
111.04444	8.4
111.08093	4.5
113.09739	0.6
115.05454	1.2
116.06210	0.9
117.07022	13.2
118.07329	1.0
119.04931	1.1
119.08587	26.5
120.08971	0.7
121.06515	6.7
121.10148	11.7
122.10513	0.6
123.04410	0.8
123.08076	4.7
123.11710	2.7
125.05954	0.8
125.09631	5.1
126.25931	0.6
127.07637	0.7
128.06261	1.3
129.07013	5.0
130.07809	1.4
131.08571	13.8
132.05769	0.6
132.08864	0.8
133.06497	2.2
133.10144	7.6
135.08072	4.6
135.11697	7.9
136.12021	0.7
137.09628	2.7
141.06998	0.7
142.07761	1.1
143.08578	5.0
145.06529	0.8
145.10127	13.6
146.10490	1.0
147.08055	9.2
147.11703	5.6
149.09608	3.7
149.13274	2.5
151.11147	1.2
153.09161	0.9
153.12790	2.4
155.08638	0.6
157.06435	0.6
157.10136	4.1
159.08069	1.5
159.11707	5.1
161.09647	6.0
161.13231	2.6
163.11192	6.8
163.14844	0.8
165.09126	2.7
165.12794	1.1
169.10182	1.1
171.11702	2.6
173.09698	1.0
173.13284	1.9
175.11238	2.0
175.14877	1.0
177.12836	1.0
181.12160	2.9
183.11766	0.8
185.13268	1.6
187.14835	0.9
189.11284	2.8
189.12799	1.0
189.16455	0.7
191.10695	2.5
195.11758	0.6
199.11255	0.9
199.14787	0.9
203.14314	0.7
207.46216	0.6
213.12691	0.6
217.19548	0.6
223.13292	3.1
227.12837	2.7
227.18001	1.5
231.13763	0.6
237.16534	1.1
241.19650	0.6
243.21178	0.6
245.18977	2.6
249.14841	3.0
255.17540	2.4
259.20645	1.1
261.22116	2.0
273.18497	22.8
274.18909	1.5
275.20062	3.3
277.21686	1.6
283.15396	1.0
291.19547	65.7
292.19861	3.9
293.21146	0.8
309.20523	1.3
317.24805	0.9
333.24344	1.5
335.25803	37.2
336.26208	2.4
347.22211	5.8
349.23813	1.1
365.23166	6.6
385.75604	0.5
443.31909	0.9
607.43756	2.2
625.44592	18.2
626.44830	2.6
643.45282	2.1
644.45953	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	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01875	12.5
55.05514	32.2
57.03441	4.1
57.07066	4.0
59.05000	3.4
65.03940	4.9
67.05508	69.2
69.03430	3.5
69.04389	5.7
69.04788	16.1
69.07071	17.8
71.04984	2.6
71.06686	2.1
79.05496	64.7
81.03432	13.2
81.06585	5.1
81.07057	100.0
82.07368	3.9
83.04988	17.4
83.08614	15.6
85.02888	4.7
85.06557	3.5
89.05992	3.1
91.05483	42.4
93.07052	57.2
93.93721	2.6
95.04980	20.2
95.08612	42.1
97.06548	8.2
97.10167	16.1
97.72784	2.0
105.07034	30.2
107.04950	7.2
107.08591	30.7
109.06526	10.2
109.10155	22.2
111.04454	22.4
111.08095	11.5
117.07052	18.5
119.08585	28.8
121.06480	6.1
121.10135	19.0
123.08073	24.6
123.11717	4.6
125.09622	16.7
126.95963	2.3
129.06990	7.2
131.08577	18.9
133.10117	16.5
135.08078	4.8
135.11699	16.4
137.09586	4.9
139.64622	2.3
143.08551	5.9
145.10155	12.8
147.08047	7.2
147.11719	8.4
149.09543	6.0
149.13246	3.8
153.12756	8.1
157.10138	6.4
159.11676	6.0
161.09688	4.2
161.13286	4.8
163.10052	3.1
163.11168	16.1
165.09161	3.1
171.11667	5.7
173.09706	3.2
173.13268	6.0
181.12224	12.0
189.11211	22.8
189.12715	3.3
191.10631	7.4
193.12221	4.7
223.13307	8.5
227.12816	18.6
261.22256	2.8
273.18500	19.6
275.19922	3.3
277.21759	3.5
291.19562	49.9
333.24066	3.2
335.25821	32.5
347.22330	3.0
365.23184	13.5
529.38770	6.4
545.38098	4.2
625.44806	14.2
626.43994	3.1
640.27881	3.0
643.23828	2.7
643.45770	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01875	10.8
55.05513	23.7
57.03438	6.1
65.03927	3.9
65.77784	2.8
66.23653	3.0
67.05509	61.8
69.03445	3.1
69.07082	21.7
71.05004	6.7
74.64628	3.0
79.05492	69.8
81.03437	9.0
81.07059	100.0
82.07370	4.8
83.04993	19.2
83.08627	17.4
85.02921	5.4
91.05489	34.1
93.07054	60.4
95.04968	17.2
95.08618	37.2
97.06528	7.2
97.10174	17.6
98.22515	4.2
105.07043	26.2
107.04962	6.6
107.08605	30.1
109.06535	10.1
109.10165	22.2
111.04449	12.7
111.08139	6.3
117.07034	13.3
119.08591	28.6
121.06544	6.8
121.10172	22.5
123.08075	26.1
123.11700	6.6
125.09651	17.4
129.07014	7.4
131.08617	16.4
133.10147	14.3
135.08043	4.6
135.11696	15.0
137.09592	5.6
141.90974	2.9
145.10095	16.1
147.08047	10.2
147.11679	7.9
149.09605	6.5
149.13242	5.2
153.09172	3.8
153.12778	7.1
155.08614	3.2
157.10121	3.8
159.11778	6.4
161.09644	4.6
163.11197	21.3
164.11592	3.3
165.09186	8.2
167.08684	3.2
173.13251	3.5
181.12239	12.4
189.11201	19.7
191.10692	8.9
193.12215	5.9
209.11665	4.7
214.10213	3.2
223.13264	6.0
227.12762	15.2
229.19763	3.9
230.93811	3.4
255.17574	4.0
259.25256	3.1
261.22153	6.3
273.18503	24.2
291.19550	56.4
303.28165	3.1
335.25836	27.4
365.23254	15.2
625.44556	18.5
643.45953	19.7
648.27533	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03948	4.7
55.01879	7.6
55.05519	19.5
57.03444	8.6
57.07067	2.2
65.03945	3.6
66.04721	0.8
67.05511	43.3
68.05856	0.8
69.03436	2.8
69.07073	10.8
71.04987	2.6
71.08608	0.8
77.03951	1.2
77.96278	0.5
79.05500	53.4
80.05824	0.9
81.03445	4.7
81.07065	100.0
82.07400	3.1
83.04992	8.5
83.08627	9.8
85.02895	4.0
85.06547	2.8
89.06093	0.5
91.05490	32.3
92.05827	0.8
93.07050	36.6
93.38834	0.6
94.07375	0.9
94.17303	0.6
95.04978	18.6
95.08615	25.6
96.08945	0.9
97.06541	4.6
97.10174	6.2
97.93988	0.5
98.22556	1.1
99.04458	1.7
99.08124	1.5
101.09698	0.6
103.05476	1.0
105.03422	1.0
105.04522	1.5
105.07042	26.2
106.07389	0.8
107.04971	7.4
107.08604	19.1
108.08904	0.5
109.06528	37.2
109.10165	10.4
110.06866	0.7
111.04458	7.8
111.08111	4.9
113.06022	3.4
113.09636	0.8
115.05489	1.9
116.06242	0.8
117.07027	15.7
119.04971	0.9
119.08589	26.4
120.08914	1.2
121.06524	8.8
121.10151	13.2
123.08067	6.4
123.11710	1.8
125.09641	4.6
128.06229	2.1
129.07024	7.1
130.07829	0.9
131.04930	0.7
131.08591	13.9
132.08890	0.6
133.06499	2.6
133.10139	10.5
135.08073	8.2
135.11700	7.6
137.09573	2.9
137.13373	0.7
139.01804	0.6
141.06992	0.8
142.07794	1.0
143.08585	5.0
145.06538	1.4
145.10141	14.7
145.11261	1.0
147.08057	11.5
147.11705	7.0
149.09639	5.9
149.13228	3.0
151.11206	1.0
153.12810	1.9
155.08559	1.4
157.06448	0.6
157.10135	5.0
159.08119	2.1
159.11725	5.6
161.09641	7.7
161.13260	4.2
163.11201	5.8
163.14871	1.0
165.09154	2.0
165.12744	1.5
169.10118	1.1
171.11674	3.5
173.09654	1.8
173.11967	0.8
173.13161	2.5
175.11269	1.1
175.14830	1.5
177.12762	0.9
179.14293	1.1
181.10382	0.7
181.12276	2.3
183.10248	0.7
183.11852	0.8
185.09668	0.9
185.13278	1.9
187.11206	1.1
187.14822	0.8
189.09660	0.5
189.11258	2.5
189.12738	1.0
191.10732	1.6
192.07896	0.6
195.11737	1.0
199.11272	1.0
199.14845	1.0
205.12308	0.6
209.11795	0.9
209.93315	0.5
213.12914	0.7
217.15944	1.1
223.13252	2.6
227.12808	1.4
227.17932	1.9
237.16571	0.7
241.19626	1.6
245.19186	1.6
247.20834	0.6
249.14880	4.6
255.17567	1.9
259.20541	2.9
261.22281	1.5
273.18509	19.9
274.18985	1.0
275.20126	4.9
276.20496	1.2
277.21750	1.6
291.19562	67.6
292.19913	6.0
293.21161	0.9
309.20590	1.3
333.24359	2.5
335.25836	23.6
336.26218	2.4
347.22241	5.2
348.22656	0.8
349.23700	0.9
365.23306	5.8
367.25143	0.9
607.43738	2.0
625.44586	13.9
626.44952	3.2
643.45306	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	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.1
50.32941	0.9
51.02386	0.8
53.03945	6.2
55.01875	7.2
55.05513	23.0
57.03441	9.7
57.07075	2.4
65.03945	3.9
67.05508	60.8
68.05836	2.0
69.03439	2.2
69.07072	29.6
69.74104	2.2
69.74424	0.9
70.07433	1.0
71.04995	5.3
73.71018	0.9
76.33033	0.8
77.03945	0.9
79.05497	57.7
80.05831	1.4
81.03421	4.3
81.07060	100.0
82.07394	3.1
83.04994	6.5
83.08623	13.6
85.02928	1.0
85.06525	4.6
91.05483	68.1
92.05829	2.1
93.07047	54.3
94.07359	1.0
95.04972	14.9
95.08611	38.8
97.02883	1.1
97.06547	9.7
97.10175	2.9
99.08092	4.6
103.05468	2.1
105.04559	2.1
105.07036	68.5
106.07377	2.7
107.04951	8.8
107.08598	33.8
108.08910	1.5
109.00709	0.8
109.06530	17.6
109.10159	15.7
111.04459	1.4
111.08077	5.4
113.06091	1.1
115.05474	1.8
116.06244	1.0
117.07027	17.0
119.08585	57.9
120.08965	1.4
121.06523	4.1
121.10155	22.9
121.11020	1.6
123.08074	7.3
123.11700	9.9
125.09641	2.4
128.06227	1.6
129.07014	10.0
130.07802	1.5
131.08571	25.8
131.09489	1.4
132.08910	1.1
133.06516	2.1
133.10135	38.3
134.10497	2.7
135.08075	4.0
135.11699	15.3
136.12106	1.1
137.09637	3.5
137.13339	1.7
139.11176	1.1
141.07033	2.4
142.07799	1.7
143.08566	10.1
144.09229	1.2
145.06519	1.5
145.10124	22.8
147.08063	3.0
147.11691	41.1
148.11998	1.3
149.09639	8.0
149.13283	13.4
151.11243	2.6
155.08565	2.5
156.09406	1.5
157.10124	10.6
159.08034	1.0
159.11690	16.4
159.12988	1.1
160.12029	1.4
161.09691	2.5
161.13269	24.1
162.13593	1.1
163.11177	7.5
163.14886	4.0
165.12766	7.2
169.10168	2.7
171.11693	12.7
173.09718	1.4
173.13258	11.4
175.11156	5.0
175.14844	11.5
177.12830	3.0
179.14389	2.1
183.11763	2.0
185.13275	6.7
187.11238	1.2
187.14844	3.4
189.12759	1.9
189.16362	1.1
193.12271	3.0
193.15701	0.9
195.13844	1.2
197.13368	1.6
199.14850	4.1
201.16464	2.6
211.13245	0.9
213.16428	3.3
215.18063	1.9
217.15898	1.3
217.19580	1.0
219.13683	1.0
221.15324	1.1
229.14342	1.6
229.19531	2.8
231.17581	1.0
231.21075	4.3
239.18024	3.6
241.19516	23.9
242.19875	1.9
243.21062	1.2
247.20552	2.6
257.19009	7.5
259.20590	38.0
260.20935	2.8
265.21695	1.0
267.15833	1.7
273.18478	0.9
275.20081	33.0
276.20477	3.5
277.21713	5.5
291.19589	1.1
293.21100	8.1
315.23230	3.2
322.82104	0.9
333.24246	36.9
334.24579	3.8
349.23779	5.8
351.25406	2.8
367.24811	20.6
497.36667	1.1
501.35596	1.4
515.37946	1.6
533.39777	2.2
545.37933	1.6
546.81775	0.9
551.41022	1.5
607.43353	3.6
625.44672	8.9
626.45007	1.5
643.45868	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	644.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01875	0.4
57.03430	0.5
61.02921	0.9
69.03434	2.3
69.80669	0.7
71.04997	0.3
72.85436	0.2
73.02917	0.2
81.03419	1.0
85.02910	7.4
86.03235	0.2
87.04441	0.5
88.02624	0.2
91.03953	0.5
91.84081	0.2
97.02904	2.9
98.22733	0.3
99.04432	0.3
100.51741	0.2
105.22197	0.2
109.02875	0.7
126.82834	0.2
127.03916	1.8
136.39046	0.2
145.04968	2.4
153.01790	0.5
160.33298	0.2
163.06064	0.4
170.73692	0.2
201.01833	0.7
207.02795	0.2
213.01810	0.5
217.01431	0.3
219.02928	0.3
224.21103	0.2
229.01350	1.1
231.02931	0.5
241.01317	0.5
247.02486	1.6
257.00821	5.7
258.01401	0.3
259.02414	1.1
275.01859	7.2
276.02216	0.4
285.00314	7.2
286.00870	0.6
303.01358	100.0
304.01691	5.4
391.14993	0.2
465.06686	9.4
466.07007	1.1
503.37939	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	644.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05522	0.9
57.46489	0.7
65.03957	0.7
67.05509	0.8
69.03438	1.7
79.05496	5.6
81.03414	2.3
85.02910	1.5
86.16867	0.7
89.03909	4.4
90.93196	0.6
91.05493	8.8
92.40816	0.6
93.07039	11.4
95.04955	0.9
97.02866	1.0
98.22631	1.6
105.07027	2.0
107.04959	2.3
107.08613	3.0
109.02869	1.2
109.06529	0.7
117.03381	4.9
119.04926	2.0
119.08537	0.6
121.06508	1.4
121.10136	9.8
122.06053	0.7
123.04436	1.2
131.08594	1.0
135.04417	10.7
137.05978	19.2
145.02843	10.4
147.04384	1.5
149.09663	5.2
153.01740	1.4
154.08640	10.4
163.03908	100.0
164.04227	4.5
167.07021	1.2
181.04886	0.8
191.06943	1.0
204.06473	0.6
251.12054	0.7
293.13837	0.9
316.11807	43.6
317.12097	3.2
464.22681	2.8
644.19965	1.1
645.30078	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	644.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.6
57.03439	13.5
58.28982	5.4
60.38372	5.5
60.54464	5.5
67.05508	39.8
69.07079	25.3
71.30891	8.7
79.05501	37.2
79.25350	5.5
81.03426	72.6
81.07070	65.4
83.05000	14.1
83.08631	25.3
83.45879	5.8
91.05484	46.3
93.07044	39.5
95.04997	28.2
95.08623	28.3
105.07037	28.4
107.04992	8.1
107.08602	14.7
109.06532	24.0
109.10207	6.4
111.08129	7.5
117.06992	8.6
119.08604	21.5
121.10192	11.3
124.02209	5.7
131.08621	21.1
133.10144	16.4
135.11734	8.1
145.10175	6.9
147.11774	19.5
149.09650	12.4
157.10143	8.8
165.12738	6.5
193.12276	11.5
199.14621	6.3
267.15900	100.0
268.16251	7.9
275.20126	28.2
293.21176	19.3
349.23801	18.8
367.24750	32.5
449.30228	8.5
503.30771	6.6
541.35480	30.0
559.36304	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
57.07082	34.8
58.14073	0.8
58.31220	0.8
67.05508	3.3
69.07076	3.5
70.58883	2.0
71.08640	26.5
72.68359	0.8
73.02915	1.1
73.06562	9.3
79.05510	2.7
81.03429	1.2
81.07085	4.6
83.08629	3.7
85.10188	17.4
87.04477	7.0
89.06039	100.0
90.06386	1.3
91.05479	1.4
93.07061	1.9
95.08614	1.8
97.10186	3.6
99.11749	5.5
107.07096	1.9
109.10184	1.2
111.11732	2.1
113.13286	3.1
117.09143	7.3
127.14822	1.6
129.07069	0.8
130.08662	3.5
131.07062	2.6
133.08615	54.7
135.10164	1.1
135.71291	0.8
161.11772	1.5
169.19536	2.8
175.09663	1.0
177.11241	20.4
178.11644	0.9
208.97023	0.9
213.22156	2.9
221.13850	4.6
239.14973	1.6
257.24780	7.7
265.16571	1.3
277.21512	0.9
283.17642	1.0
301.27420	5.0
327.20325	0.8
328.53220	0.8
360.18777	0.9
459.28000	3.7
529.38794	5.7
530.38916	1.3
627.46710	2.6
644.49304	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	645.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27557	0.2
70.55772	0.2
70.56099	0.3
73.99676	0.2
86.59084	0.2
103.87224	0.2
137.02365	0.7
139.77966	0.2
139.79170	0.2
144.19231	0.2
153.01822	0.5
158.07254	0.6
161.33601	0.2
168.05737	0.4
185.06026	0.4
186.06750	2.4
196.05191	0.8
197.06104	0.6
203.03378	0.7
213.05434	1.4
214.06273	2.0
224.04691	0.8
225.05595	0.5
241.05035	0.5
242.05721	3.1
252.04042	0.3
253.04909	0.9
255.07712	0.2
269.04373	0.5
270.05234	23.9
271.05569	1.1
273.03952	0.4
281.04422	0.7
285.03937	0.8
286.04733	0.6
287.05542	3.2
288.06079	0.4
297.03973	4.3
298.04715	9.6
299.05408	2.9
300.05676	0.3
302.04153	1.9
315.04984	9.5
316.05743	8.5
317.06158	0.4
331.08112	100.0
332.04523	0.5
332.08453	6.7
645.14520	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	645.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
51.63522	0.2
54.22548	0.3
62.06104	0.2
69.03433	3.6
70.16558	0.8
79.01864	1.5
81.03395	0.6
85.02904	0.3
95.86856	0.2
97.02894	0.6
102.28605	0.2
107.01304	0.5
109.02863	0.5
125.02340	1.2
127.03931	2.5
131.04927	0.3
137.02374	0.8
137.06003	0.3
139.03947	0.3
143.03398	2.0
151.03915	0.4
153.01834	50.2
153.02901	2.3
154.02158	1.2
157.06580	0.3
158.07251	0.8
159.04413	0.3
163.03934	0.7
167.07005	0.2
167.29466	0.3
168.05733	0.3
169.06442	0.3
171.02968	0.5
171.04337	0.2
175.03979	0.2
178.54356	0.2
179.03439	0.6
181.01334	0.4
185.06000	0.5
186.06792	3.2
187.03784	0.2
191.03398	1.0
193.04948	0.2
195.02905	0.3
196.05278	1.1
197.05978	0.3
203.03471	1.0
205.04948	0.4
207.02907	0.6
209.04553	0.3
213.05508	1.4
214.06242	2.1
215.06619	0.3
219.02971	0.5
224.04796	1.2
225.05492	0.5
233.04460	0.6
237.03932	1.1
241.04950	0.8
242.05731	3.7
243.06346	0.2
251.05652	0.2
252.04135	0.5
253.04941	0.9
258.05209	0.3
259.05914	0.2
261.04028	0.2
269.04425	0.7
270.05234	27.7
271.05612	1.7
273.04025	0.3
280.03906	0.2
281.04501	0.8
285.04007	0.8
286.04822	1.0
287.05524	3.2
288.06125	0.4
297.03564	4.0
298.04697	11.1
299.05438	3.6
300.05786	0.3
301.03583	0.4
301.06946	0.4
302.04205	2.4
315.04718	9.2
316.05756	10.4
317.06055	0.6
331.08115	100.0
332.08426	6.4
378.56360	0.2
493.13477	0.3
645.14478	12.2
646.15326	1.4
661.46710	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	645.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.2
51.02386	0.2
53.03943	0.2
55.01864	0.2
68.99830	0.2
69.03407	0.4
75.18678	0.2
81.03418	1.4
84.14985	0.1
85.02887	0.2
97.02894	0.6
99.04433	0.2
107.01345	0.3
109.02887	0.6
113.28600	0.1
121.06519	0.2
124.05192	0.4
125.02350	0.5
127.03927	0.7
134.03632	0.2
137.02338	0.4
137.06058	0.2
143.03392	0.8
151.03906	2.7
151.05072	0.3
153.01836	19.3
153.02888	0.9
154.02170	0.6
162.03214	0.2
164.04755	0.2
165.82283	0.1
171.02870	1.1
187.03903	0.3
187.07661	0.1
189.05475	0.2
191.06882	0.2
194.02049	0.2
199.03862	0.2
206.61302	0.1
217.04947	1.5
228.04155	0.7
229.04945	0.5
242.05780	0.3
243.06577	0.8
245.04489	3.3
256.03632	0.2
257.04456	0.7
258.05219	0.2
269.04437	0.3
270.05249	0.5
271.05896	1.1
272.06616	0.2
273.01077	0.3
273.03937	4.2
274.04318	0.2
285.03955	0.5
286.04688	0.3
287.05475	2.0
288.06284	2.1
297.06186	2.2
298.04706	0.1
299.05533	0.7
300.02557	0.6
301.03424	9.6
302.03891	0.7
315.04959	10.6
316.05768	40.2
317.06131	2.4
331.08109	100.0
332.08444	6.6
486.75146	0.2
645.21460	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	645.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02059	0.1
61.60638	0.1
65.06195	0.1
69.15857	0.4
69.16288	0.4
81.03371	0.2
81.16898	0.1
92.35753	0.1
101.40058	0.1
121.06491	0.2
137.02310	0.8
143.03358	0.1
149.09543	0.1
153.01804	1.3
157.06512	0.2
158.07292	1.0
168.05641	0.6
169.06456	0.2
178.02679	0.2
185.05989	0.7
186.06776	2.7
187.07237	0.1
196.05244	0.9
197.05969	0.4
203.03435	0.8
212.04741	0.2
213.05429	1.4
214.06255	1.9
224.04720	0.9
225.05531	0.6
227.03407	0.2
229.04826	0.2
241.04947	0.7
242.05734	3.0
243.06184	0.2
252.04152	0.6
253.05051	0.8
258.05090	0.2
267.38400	0.1
269.04492	0.6
270.05222	25.3
271.05576	1.5
273.03961	0.6
274.87189	0.1
280.03754	0.2
281.04529	0.5
285.03964	0.9
286.04648	0.8
287.05481	3.2
288.05994	0.2
297.03928	4.3
298.04709	11.2
298.28680	0.1
299.05441	3.4
300.05905	0.2
301.03452	0.4
302.04199	2.0
315.04980	9.2
316.05753	9.1
317.06128	0.5
331.08102	100.0
332.08472	6.9
445.06610	0.1
601.30060	0.1
626.99365	0.1
645.14502	7.1
646.15051	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	645.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03942	2.4
55.05499	1.4
56.64552	0.5
56.72519	0.5
69.03133	0.5
69.03436	5.1
75.04470	0.8
77.35259	0.6
77.82150	0.5
79.05493	12.5
81.03422	5.5
81.07069	1.4
83.69086	0.6
85.02902	1.8
91.05476	9.5
93.07050	40.3
95.04967	2.5
95.08598	0.8
97.02901	2.0
99.04469	0.9
103.05456	0.8
105.04551	1.2
105.07035	6.2
107.08604	7.4
109.02885	2.5
116.06189	1.0
119.04909	0.6
119.08572	1.5
121.06532	1.6
121.10149	33.8
122.10462	1.6
123.08051	0.9
127.03904	1.5
131.08600	4.4
133.07549	0.7
137.02342	1.1
147.04420	0.8
149.09627	18.9
153.01810	1.2
167.10739	1.3
181.04990	0.9
213.44609	0.7
215.94250	0.5
228.04218	1.4
229.04915	0.8
245.04462	1.2
256.03735	0.7
273.03778	0.9
274.04724	3.6
285.03799	0.9
293.13736	4.7
301.03430	8.6
302.04202	39.3
303.04663	1.3
311.14902	2.5
317.06567	100.0
318.06927	6.5
329.06558	1.2
398.37125	0.7
479.11890	0.9
644.47253	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	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55829	7.7
75.66122	3.2
80.68288	2.9
82.60028	2.9
82.67784	3.6
91.05516	5.9
93.07016	4.0
94.06578	13.5
95.07339	4.7
96.08140	22.4
106.06575	6.7
108.08105	27.6
110.09690	27.1
120.08127	22.8
122.06060	11.1
124.07610	11.5
126.41470	2.9
134.06006	7.0
136.07582	51.8
138.09123	32.1
144.04469	7.2
146.06021	13.2
148.07558	17.9
150.09186	9.8
152.07036	24.8
164.07011	7.0
165.07843	3.8
166.08647	57.4
172.03946	31.2
176.07071	4.7
190.04947	21.0
197.10648	4.1
198.11562	4.6
204.06578	33.4
210.11560	10.2
211.12218	17.1
212.09424	3.6
212.13033	4.2
223.12167	21.1
224.09492	5.6
225.10245	16.8
226.11055	14.1
227.11758	11.5
236.09515	5.7
237.10260	23.1
238.10986	17.8
239.11826	18.1
241.13461	3.3
249.10268	12.8
250.10941	9.6
251.08173	3.5
251.11781	33.8
252.08981	5.4
252.12512	13.9
253.09511	4.0
253.13422	8.7
255.11363	7.2
256.12164	8.9
257.12924	6.1
262.11002	8.0
263.11743	20.2
264.09113	4.9
264.12442	5.4
265.09775	12.3
265.13339	13.2
266.10522	13.1
267.11298	33.9
269.12848	13.2
271.10513	3.7
271.14532	12.2
272.14807	3.6
273.12408	8.1
277.09573	5.5
278.10483	8.3
279.11310	58.1
280.11975	13.5
281.12909	15.6
282.13358	3.7
283.10788	10.4
284.11493	19.5
285.12314	65.6
287.13947	6.0
291.11310	15.4
292.11963	5.5
293.09442	3.5
293.12811	12.5
296.11600	10.4
297.12326	92.8
297.15552	6.0
298.12970	12.7
299.13992	15.3
307.10858	3.6
309.12305	26.5
310.13058	11.0
311.10150	10.2
311.13797	6.7
312.11075	4.9
313.11710	3.8
319.10785	13.3
321.12354	31.2
323.10159	20.5
325.11801	28.7
327.13345	18.1
337.11774	70.1
338.12198	7.9
339.13248	8.1
343.13205	5.4
346.18964	4.5
357.14484	9.6
359.16241	4.6
372.16965	5.5
385.13770	4.6
386.19113	4.5
392.19360	5.5
400.16364	8.0
402.17932	7.0
404.19836	5.5
416.19638	5.0
422.20392	4.5
430.17697	23.0
432.19080	12.1
436.18292	3.9
446.20715	10.4
448.18594	62.2
449.19418	55.5
450.20242	47.9
451.20346	5.7
460.18732	48.8
462.20148	7.3
463.20944	4.9
474.20221	12.9
476.17957	23.2
477.18939	17.6
478.19577	25.6
490.19675	84.5
491.20367	27.1
492.21326	31.6
493.22028	8.8
522.22168	25.8
523.22974	14.4
524.22858	4.8
595.25360	23.7
613.26599	100.0
614.26862	14.1
645.28729	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	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
61.07310	1.1
67.05511	4.1
79.05505	2.6
81.03408	3.4
81.07037	2.4
91.05484	5.1
93.07044	4.8
94.06586	5.6
95.04977	2.3
95.07362	3.6
96.08136	11.0
97.02935	1.3
106.06564	2.3
108.08120	12.8
109.10175	1.6
110.09680	14.9
113.37569	1.1
116.05001	2.4
118.06527	2.2
119.08588	1.3
120.04470	3.6
120.08119	14.0
121.06522	3.2
122.06034	4.7
124.07594	4.6
133.10074	1.5
134.06018	3.2
136.07574	17.3
138.09140	20.6
138.10168	1.6
144.04449	5.6
146.06010	3.6
146.09700	1.7
148.07568	8.0
150.09201	7.8
152.07097	11.6
160.03847	1.2
160.07614	1.9
162.05530	3.4
162.09174	2.8
164.07065	9.2
166.08629	26.4
167.08844	1.3
172.03918	39.5
173.04324	1.1
176.07057	2.0
182.08112	6.3
190.04932	5.6
192.10187	2.3
197.10803	1.1
198.11461	2.8
199.12210	1.4
204.06564	100.0
205.06964	4.7
206.08141	1.4
209.10638	2.0
210.11421	3.2
211.12239	2.5
212.09322	1.5
212.12944	1.5
222.11554	1.5
223.12328	4.7
225.10197	6.4
225.13928	1.2
226.11000	2.7
227.11815	3.2
235.08844	2.1
237.10271	8.9
237.13974	1.7
238.10924	5.5
239.11766	5.7
240.12300	1.6
241.09727	1.4
241.13286	1.4
248.09431	1.9
249.10226	9.6
250.10934	7.5
251.11827	11.5
251.21082	1.3
252.12553	2.8
253.09595	1.3
253.13399	2.4
255.11136	2.2
256.12128	1.4
262.11151	1.2
263.11807	18.3
264.09021	3.2
264.12521	5.5
265.09805	3.8
265.13351	9.8
266.10510	5.5
266.13284	1.3
267.11252	11.4
268.12045	1.6
269.12851	4.7
271.14438	2.9
273.12332	3.6
275.11862	1.3
277.09769	3.5
278.10526	4.1
279.11307	22.0
280.12036	2.3
281.12799	9.7
282.10052	2.6
282.13034	1.5
283.10773	3.7
284.11591	4.5
285.12308	17.7
286.12860	1.8
287.13992	2.6
289.15396	3.5
291.11267	14.0
292.11841	4.3
293.09702	1.9
293.12756	9.5
295.10828	2.0
296.11685	2.9
297.12326	33.0
298.12741	2.6
299.13818	2.9
309.12335	24.7
310.13074	3.6
311.10403	1.7
311.13846	1.6
314.13107	1.4
317.06488	2.5
319.10809	8.9
321.12363	5.4
323.10342	6.1
323.13821	2.1
325.11868	11.6
326.12253	1.5
327.13370	5.1
329.14923	1.9
337.11810	38.0
338.12247	4.4
339.13300	2.8
341.11282	2.9
343.12930	2.2
346.19241	2.0
353.40955	1.4
355.12842	11.7
356.13626	2.4
357.14474	13.7
358.14975	3.2
359.16177	1.9
362.18692	1.3
369.14453	9.3
370.15366	1.9
371.16428	2.3
373.13931	15.5
388.52039	1.3
390.18195	1.4
392.19669	1.7
399.15155	1.4
400.16248	1.5
404.19583	1.7
422.20648	1.6
430.17499	5.2
431.18298	1.4
432.19165	2.4
442.17212	1.9
444.19418	1.3
446.20865	1.4
448.18732	16.9
449.19351	11.5
450.20313	7.9
451.20132	1.3
460.18594	14.4
461.18936	1.5
462.20135	4.4
472.18579	1.9
474.20184	2.7
476.18100	3.8
477.18832	4.0
478.19611	3.8
480.20932	2.4
490.19714	28.3
491.20200	6.6
492.21304	14.7
493.21826	3.0
522.22363	87.0
523.22797	13.7
524.23999	1.4
595.25977	5.4
613.26508	30.7
614.26691	4.3
639.38788	1.4
645.30090	13.7
646.29901	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49549	2.0
64.02509	2.2
66.23092	2.3
67.05519	4.7
67.07687	2.3
69.12341	15.8
79.05483	4.0
87.96111	2.3
91.05483	3.7
93.07053	9.5
94.06557	13.0
95.07370	6.4
96.08132	21.3
98.23325	4.0
101.67661	2.1
106.06561	7.1
108.08121	26.9
110.09690	34.0
116.04971	4.3
120.04483	8.3
120.08117	30.1
122.06054	14.7
124.07609	15.6
132.08061	3.1
134.06004	3.9
134.09674	3.2
136.07581	45.1
138.09138	37.9
144.04472	5.3
146.05980	11.1
148.07584	27.0
150.09106	6.7
152.07066	27.3
160.03912	3.2
162.05499	5.1
164.07071	10.5
166.08643	69.3
172.03931	31.6
172.07806	2.7
176.07112	6.8
183.08948	2.1
184.07294	2.8
184.10135	2.3
190.05002	24.1
192.06511	2.7
197.10825	5.0
198.11603	5.8
199.12308	4.2
204.06578	44.8
204.08379	3.9
205.07178	3.7
210.09537	2.2
210.11406	11.0
211.08722	2.6
211.12314	14.9
212.09346	3.8
212.13123	4.2
213.10132	2.4
213.13953	2.3
218.08159	4.1
221.10670	2.3
222.11394	2.7
223.08710	2.7
223.12318	11.4
224.09428	6.2
224.12894	3.5
225.10248	15.7
225.13805	6.5
226.11075	11.0
227.11783	8.6
229.13220	2.9
235.08624	5.5
235.12404	3.0
236.09476	5.5
237.10194	16.4
237.13921	3.3
238.10985	21.4
239.11775	23.8
240.12550	3.7
241.09608	2.8
246.07706	5.1
248.09265	3.3
249.10220	17.0
250.10982	12.9
251.08064	3.0
251.08934	2.3
251.11804	36.0
252.09085	4.3
252.12560	8.6
253.09779	4.9
253.13387	8.3
255.11249	4.5
256.12057	12.4
257.12921	3.2
262.11050	9.1
263.07886	2.5
263.11807	34.3
264.08902	7.1
264.12482	8.5
265.07056	2.2
265.09695	14.8
265.13321	16.5
266.10388	12.3
267.11313	40.5
268.11920	6.3
269.12860	12.1
270.13361	2.8
271.10864	3.2
271.14371	11.1
273.12375	9.1
277.09720	6.7
277.13220	2.9
278.10547	8.2
279.11319	63.6
280.11942	9.8
281.12833	20.4
282.10098	4.3
282.13596	4.6
283.10791	13.0
283.13834	3.3
284.11563	20.8
285.12347	70.3
286.12738	5.5
287.13950	6.7
289.15500	4.6
291.11282	25.6
292.11984	8.8
293.12827	22.8
294.13345	3.1
295.10706	6.6
295.14252	3.4
296.11630	11.0
297.12347	89.9
298.12924	9.0
299.13974	12.5
307.10791	4.1
309.12357	37.5
310.13000	10.4
311.10248	9.8
311.13855	6.7
312.11102	3.5
313.11859	6.6
316.14444	2.9
319.10751	20.5
321.12418	26.5
322.12875	2.7
323.10248	23.9
325.11783	38.3
326.12210	4.8
327.13397	20.3
337.11819	100.0
338.12296	11.0
339.13388	8.9
341.11398	4.3
343.12790	4.6
346.19110	4.4
357.14505	12.0
358.15549	2.6
359.15631	4.0
362.18582	2.8
367.12921	3.8
369.14642	8.0
371.16092	2.5
372.16962	4.1
376.20346	3.5
385.13852	4.9
390.18073	5.7
392.19583	3.8
400.16794	3.1
402.18097	8.0
404.19711	7.3
414.18228	3.1
416.19675	5.3
418.17288	3.8
420.19122	2.9
422.20538	5.7
430.17596	23.3
431.18051	3.5
432.19254	11.9
442.17392	4.4
444.18869	3.9
446.21140	11.4
448.18683	53.2
449.19397	49.4
450.20187	49.6
451.20563	3.9
460.18658	35.7
461.19016	5.8
462.19986	11.1
465.23767	2.6
472.18625	5.4
474.20206	13.3
474.48788	2.3
476.18201	20.5
477.18951	20.3
478.19711	20.6
480.20917	2.9
490.12567	5.0
490.19724	93.4
491.20139	22.4
492.21347	25.2
493.21829	3.9
502.65436	2.5
522.22412	26.9
523.23273	14.3
524.23724	4.4
546.56543	2.5
566.09979	2.7
567.25397	3.9
571.24896	3.3
585.27228	2.9
595.25574	17.0
596.25909	2.9
613.26520	91.7
614.26532	14.2
645.29364	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	645.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
55.01855	9.3
55.05518	44.4
57.03436	9.5
64.24148	3.9
66.44514	3.4
67.05508	83.2
69.07074	31.9
71.04997	8.2
71.30058	5.2
74.26816	4.0
79.05493	74.1
81.03421	21.6
81.07063	79.6
82.07345	4.8
83.04983	10.7
83.08624	25.8
91.05485	43.0
93.07047	76.4
95.04970	66.8
95.08607	48.1
95.50115	3.5
97.06503	5.4
97.10174	9.8
99.04460	4.0
105.07029	39.5
107.04951	9.0
107.08601	44.6
109.06506	8.6
109.10171	29.0
111.04432	11.2
111.08094	7.1
117.07017	10.8
119.08587	26.3
121.06515	5.5
121.10143	29.2
123.08073	7.2
123.11698	10.8
125.09626	18.6
129.07002	6.5
131.08566	22.3
133.08585	5.0
133.10132	22.8
135.08054	5.2
135.11676	18.9
143.08592	4.5
145.10114	19.5
147.11705	11.9
149.09625	24.2
149.13252	7.2
157.10080	4.4
159.11682	13.4
161.13295	5.6
161.97572	3.7
163.11238	19.2
167.10646	3.9
173.13300	8.5
175.11150	4.6
177.12744	4.4
181.12251	4.4
189.11198	18.1
193.12303	5.9
205.12184	4.8
211.13254	5.9
223.13290	50.5
227.12672	3.7
239.17921	5.3
257.19101	6.7
259.04144	4.6
261.22125	12.3
273.76785	4.3
275.20105	62.4
277.21609	7.0
292.70193	4.5
293.21085	39.9
314.53186	4.7
317.24640	4.9
335.25803	100.0
336.26135	7.6
349.23828	8.6
367.24765	22.6
527.69421	3.8
530.39258	9.2
531.40222	9.9
547.39819	18.2
627.46106	44.6
645.26343	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	645.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01871	1.5
55.05518	6.8
57.03432	2.3
57.07078	0.9
64.45555	0.6
65.03938	0.9
65.33750	0.7
65.77224	0.7
66.77444	0.6
67.05510	13.0
68.99770	6.8
69.03407	0.6
69.07063	4.2
71.04985	1.0
72.89090	0.6
79.05498	10.9
81.03425	2.2
81.07056	12.7
81.20760	0.7
83.04980	1.2
83.08618	4.9
91.05499	5.6
93.07041	9.0
95.04975	11.3
95.08604	8.1
97.10146	1.8
99.04479	0.7
105.07047	6.1
107.04980	1.4
107.08604	7.0
109.06535	1.1
109.10159	4.1
111.04482	2.4
111.08109	0.9
115.25246	0.6
117.07053	2.2
119.08589	4.0
121.10130	4.1
123.08085	0.7
123.11720	1.2
125.09662	2.6
129.07068	1.3
131.08548	3.5
133.10141	2.9
135.11728	2.6
145.10187	3.8
147.11694	2.1
149.09656	3.5
155.01082	0.8
159.11723	1.7
161.13263	0.9
163.11192	3.1
165.12772	0.8
173.13322	0.8
187.11189	1.0
187.14931	0.7
189.11266	2.1
205.12247	0.9
223.13301	7.5
229.19421	0.6
238.18102	0.8
243.21198	0.7
257.19040	1.5
261.22256	1.8
275.20065	6.2
286.51184	0.6
293.21075	6.7
335.25790	10.8
349.23917	1.0
367.24808	4.8
530.39209	2.6
531.40479	0.9
547.39832	1.8
598.20966	0.7
608.82477	0.8
627.46313	4.9
628.47186	0.8
645.25873	100.0
646.26141	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	645.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03949	4.8
53.61687	1.2
55.01881	2.5
55.05516	12.8
57.03431	4.4
57.07080	4.4
61.38668	1.2
65.03953	3.1
67.05508	42.0
69.07070	13.4
70.63203	1.0
71.04987	2.6
71.08636	36.3
77.03938	1.4
79.05498	46.9
81.03422	9.9
81.07062	48.5
81.27605	1.1
81.90271	1.3
83.04987	10.6
83.08620	10.0
85.06556	2.1
89.06073	1.3
91.05489	33.5
93.07048	56.6
95.04986	7.9
95.08611	39.4
96.08955	1.6
97.06558	7.5
97.10176	3.1
99.08096	22.2
105.07037	19.9
107.04939	9.2
107.08601	29.5
109.06543	2.8
109.10160	11.0
111.08086	3.3
113.09651	3.7
117.07021	4.9
119.08586	18.8
121.06516	2.0
121.10163	24.6
123.11712	1.6
127.11234	1.5
129.07037	3.4
131.08565	5.5
133.06592	1.2
133.10139	12.8
135.08049	2.1
135.11707	32.9
137.09625	3.8
141.09132	4.0
141.15956	1.3
143.08572	2.2
143.59267	1.4
145.10146	5.0
147.08151	1.3
147.11716	5.2
149.13249	9.3
151.11179	15.2
159.11711	4.1
161.13268	13.4
163.11237	6.1
163.14806	2.2
165.12746	1.5
167.10767	1.7
171.11679	2.3
171.84135	1.4
175.14864	2.6
177.12776	3.7
179.14317	100.0
180.14679	6.0
185.13289	2.8
189.12810	1.7
193.12282	2.4
195.13809	2.0
221.15291	2.6
235.16901	5.8
241.19653	3.0
259.20612	5.8
277.21634	68.5
278.21964	5.2
295.22711	3.4
351.25302	42.9
352.25632	4.9
390.66507	1.4
454.49341	1.3
529.39044	2.1
531.40558	10.1
547.39636	3.5
627.46204	46.3
628.46619	8.0
645.24811	6.4
645.45398	2.9
646.25537	1.9
650.15796	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	646.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01868	1.5
55.05517	7.8
57.03442	11.0
57.07067	2.0
59.04989	0.5
61.02914	1.5
65.03925	1.7
67.05508	33.8
68.05843	1.0
69.03105	2.2
69.03501	1.9
69.07071	11.4
71.01355	1.8
71.05006	3.8
73.02927	1.3
73.41817	0.5
75.04789	0.5
77.68558	0.4
79.05495	26.9
79.73930	0.4
80.05824	1.0
81.03405	3.4
81.07059	35.4
82.07404	0.9
83.04977	6.7
83.08621	7.2
84.08955	0.6
84.32410	0.5
85.02911	2.0
85.06545	2.8
87.04431	0.5
87.79312	0.5
91.03961	0.4
91.05484	12.2
93.07047	37.0
94.07376	1.1
95.04975	3.5
95.08611	9.1
97.02885	1.2
97.06535	8.1
97.10172	4.5
98.22542	0.8
99.04490	0.5
99.08096	1.6
105.04529	0.9
105.07030	3.7
107.04953	1.1
107.08598	24.3
108.08939	1.2
109.06516	1.5
109.10154	3.4
111.08094	3.7
111.11653	0.5
113.06016	0.6
113.08842	0.5
113.09685	0.5
117.07016	4.7
119.08575	3.8
121.06525	1.0
121.10145	8.7
123.08070	1.1
125.09618	1.8
129.07004	0.7
131.08571	3.6
133.10118	4.8
135.08064	1.0
135.11697	23.2
136.11998	0.8
137.09602	1.4
139.11163	0.7
145.10139	4.0
147.11713	1.0
149.09641	0.7
149.13257	10.8
150.13542	0.7
151.11194	0.8
153.12747	1.9
157.10124	0.7
159.11673	5.3
163.11166	3.5
167.14346	0.5
177.12753	1.9
181.12228	5.9
184.07391	1.2
195.13835	4.3
199.13303	0.8
207.13808	0.5
213.14897	0.8
221.15404	0.5
244.39134	0.5
245.02141	0.5
255.15929	31.9
256.16260	2.1
262.86429	0.5
269.17477	28.4
270.17911	1.7
272.30927	0.4
275.20255	0.7
326.95166	0.5
405.30933	0.5
429.11597	0.6
431.28198	0.5
449.28983	100.0
450.29364	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	646.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.4
53.03940	1.7
54.29219	0.5
55.01880	2.4
55.05515	9.4
57.03445	9.6
57.07075	1.0
57.32627	0.5
59.05003	0.7
61.02925	2.1
65.03953	1.4
67.05509	34.4
68.05846	0.6
69.03426	1.2
69.06733	0.7
69.07074	9.6
71.01351	2.2
71.05007	3.4
71.28571	0.5
73.02919	1.0
79.05498	24.9
80.05822	0.5
81.03419	4.0
81.07061	32.2
83.04987	7.0
83.08627	8.1
85.02891	2.5
85.06550	2.4
91.03934	0.8
91.05486	12.8
93.07049	35.2
94.07372	1.0
95.04974	4.2
95.08618	9.4
97.02904	1.1
97.06544	8.4
97.10175	5.2
99.04456	0.5
99.08096	1.2
105.04498	1.0
105.07037	5.7
107.04956	1.1
107.08598	22.0
108.08952	0.8
109.06516	1.4
109.10155	3.7
111.08084	3.4
115.05483	0.7
117.07018	5.0
119.04148	0.5
119.06022	0.5
119.08594	5.4
121.06518	2.1
121.10147	7.8
123.08089	0.8
123.11728	1.6
125.06019	0.9
125.09677	1.3
128.06296	0.5
129.06993	0.5
130.42874	0.5
131.08569	4.0
133.10139	6.6
133.45490	0.5
135.08028	0.9
135.11699	22.4
136.12016	0.9
137.09685	1.0
139.11203	0.8
143.08607	0.6
145.10095	4.4
147.11713	1.1
149.09552	0.7
149.13261	6.1
151.11185	0.8
153.12733	2.3
157.10147	0.6
159.11736	3.8
163.11168	4.1
171.11732	0.6
177.12747	1.6
181.12267	4.7
184.07281	0.8
195.13821	5.7
199.13319	1.3
201.90417	0.5
213.14969	0.8
231.68233	0.5
233.15392	0.8
255.15942	26.6
256.16318	1.4
257.15198	0.6
269.17490	18.5
270.17816	0.9
275.20010	0.5
368.92535	0.5
402.52527	0.5
449.28998	100.0
450.29306	9.8
495.41620	0.5
593.32831	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	646.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94384	0.3
53.03942	2.3
55.01863	0.9
55.05511	5.2
57.03433	1.0
57.07078	17.1
58.91676	0.3
62.06078	0.4
65.03937	0.7
67.05508	10.2
69.03429	0.8
69.07070	4.0
71.04986	0.6
71.08634	11.4
71.90942	0.3
79.05492	5.6
81.03418	36.5
81.07054	11.6
82.03762	0.4
83.04978	1.3
83.08620	10.3
85.02853	0.5
85.06534	0.7
85.10183	6.5
91.05483	7.5
93.07046	3.2
94.07410	0.5
95.04967	10.3
95.08611	10.6
97.02888	0.8
97.06518	0.4
97.10173	2.3
98.98460	0.5
105.07037	4.9
107.04964	2.9
107.08565	1.7
107.64342	0.3
109.06532	1.3
109.10154	4.7
111.04449	0.8
111.08088	2.5
111.11752	0.4
115.05447	0.3
115.37366	0.3
117.07023	0.6
119.08574	4.3
121.06503	0.7
121.10132	2.1
123.08083	0.9
123.11731	1.9
128.06319	0.4
129.07001	3.3
131.08549	3.1
133.06506	1.0
133.10109	0.9
137.09618	0.4
137.13249	0.5
137.45839	0.3
142.07793	1.0
145.10161	0.4
147.08086	0.9
147.11678	2.2
147.79167	0.3
149.09637	1.4
151.14885	0.4
157.10112	3.0
163.11229	0.3
165.12775	0.8
175.11159	3.3
193.12230	8.8
228.97038	0.4
236.16437	3.9
239.23735	2.4
249.14934	2.5
267.15948	1.7
282.27911	1.2
313.27417	1.5
414.07257	0.4
495.99936	0.3
505.38852	100.0
506.39188	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	647.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02379	1.0
53.03934	0.9
54.35656	0.6
57.14230	0.3
69.03426	2.3
70.20181	0.4
71.04988	0.4
72.40469	0.3
79.01859	6.3
81.03419	7.2
85.02919	2.1
97.02887	3.5
98.28619	0.3
98.39532	0.3
99.04428	0.7
107.01324	1.9
108.41315	0.4
109.02897	4.5
123.24249	0.3
125.02354	3.6
125.57372	0.3
126.03130	0.8
127.03912	3.8
143.03394	7.1
145.04979	0.8
153.01831	100.0
153.02905	6.0
154.02187	2.4
166.02649	0.4
171.02899	4.4
205.04910	0.4
216.04161	0.8
219.02922	1.3
230.02017	0.5
244.03674	2.4
245.04405	1.5
261.04053	0.7
272.03159	1.1
273.03851	0.9
287.05487	0.3
289.03391	1.0
290.04245	2.4
292.94934	0.4
297.06027	7.3
300.02493	0.4
301.03400	3.5
315.07077	1.2
317.02890	5.7
318.03693	39.1
319.03836	1.9
333.06036	95.5
334.06332	5.7
375.07217	0.5
495.11264	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	647.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27068	0.3
55.05510	1.6
57.03442	0.4
57.07044	0.3
59.04992	0.9
67.05506	2.4
69.03431	1.2
69.07066	0.9
79.05499	2.2
81.03419	1.0
81.07053	2.4
83.04975	0.8
83.08615	0.9
84.90380	0.3
85.06561	0.5
91.05491	2.8
93.07037	2.8
95.04980	1.9
95.08615	1.8
97.06540	1.0
99.04463	1.4
105.07025	3.6
107.04928	0.7
107.08598	2.1
109.06532	1.4
109.10162	1.7
111.08105	0.6
113.09695	0.4
117.07021	0.8
118.94101	0.3
119.08579	2.6
121.06532	0.9
121.10123	2.5
123.08089	1.5
125.05989	1.0
125.09618	0.9
129.07010	0.7
131.08577	1.2
133.10155	1.5
135.08061	0.9
135.11653	0.7
137.09656	0.8
139.11172	0.6
142.07787	0.6
143.08575	1.1
144.09331	0.4
145.10086	1.6
147.08087	0.8
151.07512	1.6
155.08575	0.7
155.10670	0.5
156.09424	0.4
157.10194	1.1
159.08072	0.6
159.11746	1.2
161.09695	0.8
163.11183	1.6
165.09106	1.0
167.10721	1.1
169.10168	0.8
171.08124	0.5
171.11742	0.9
173.09714	0.6
173.13293	0.8
179.08589	0.4
181.10121	0.3
181.12253	1.4
183.11694	0.6
187.11320	0.4
189.12708	0.5
195.11658	0.7
197.13316	0.5
203.05302	0.6
203.14294	0.6
207.11862	0.5
207.13866	1.0
215.14346	0.5
221.13382	0.5
221.15446	1.7
233.15465	0.8
243.08348	1.0
275.20010	0.5
286.19363	0.4
429.26236	1.5
485.28381	1.9
615.40875	0.7
629.42169	0.5
647.33960	100.0
648.34283	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55614	0.6
58.16718	0.7
69.35518	2.7
69.35924	1.8
70.52799	0.7
79.77527	0.7
81.07079	0.7
89.06036	1.7
98.23369	1.3
116.51930	0.8
138.67915	0.8
149.14839	0.8
207.35463	0.8
254.35225	0.7
276.83469	0.7
356.78363	0.7
405.36108	0.7
429.26190	1.6
472.72522	0.9
485.28912	2.0
515.17163	0.8
647.34033	100.0
648.34283	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	647.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43415	2.0
55.05531	1.8
57.03437	1.9
57.07081	3.3
61.71859	1.7
81.07065	5.3
83.08617	1.9
95.08618	2.9
105.07067	1.8
109.10164	3.2
335.22003	5.4
391.24619	6.1
471.06802	2.3
647.48517	100.0
648.49023	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	648.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
51.02382	0.7
53.00328	0.1
55.01869	0.3
56.07133	0.1
60.35376	0.1
64.74416	0.1
65.00274	0.1
68.99783	0.2
69.03430	0.2
69.26343	0.8
75.10195	0.1
76.24166	0.1
79.01858	4.9
81.03433	0.5
87.00808	0.1
89.47994	0.1
95.04958	0.4
97.02905	1.1
98.23363	0.2
102.88216	0.1
107.01324	1.5
109.02890	0.8
121.02875	2.5
123.00843	0.2
125.02357	2.8
127.03939	1.3
139.03954	0.5
143.03403	7.0
144.03754	0.2
153.01834	100.0
153.02875	5.3
153.29065	0.1
154.02168	2.5
154.03413	0.2
171.02888	1.9
171.04338	0.2
183.04405	0.1
199.03926	0.4
217.05013	0.2
227.03282	0.2
229.05011	0.2
245.04588	0.3
273.03952	2.2
274.04431	0.2
291.04993	2.3
309.06003	0.3
353.38297	0.1
380.55777	0.1
443.06247	0.3
461.07159	12.9
462.07526	1.2
574.44214	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	648.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01874	0.4
55.05513	8.0
65.03929	0.3
67.05516	1.3
69.01883	2.4
69.03429	0.5
74.24610	0.2
76.03655	0.2
79.05486	1.0
81.07064	0.9
83.04984	49.9
83.08604	0.3
84.05318	1.0
85.02903	0.6
91.05495	0.6
93.07066	0.9
95.04946	0.5
95.08646	0.3
97.06512	0.3
98.22634	0.6
101.06018	0.4
105.07051	0.5
107.08606	0.5
109.10165	0.5
111.04444	100.0
112.04771	2.7
117.07056	0.2
119.08608	0.8
121.06506	0.3
121.10177	0.4
127.03922	0.5
129.05481	2.2
131.08562	0.4
133.10112	0.4
135.08009	0.3
137.52100	0.3
149.09654	0.4
153.05467	48.9
154.05818	1.3
157.70119	0.3
159.11761	0.3
167.10704	0.3
171.06528	4.1
181.12250	0.3
213.07524	1.6
220.99266	0.3
232.88837	0.3
273.09720	2.3
298.18292	0.3
359.00357	0.8
361.16980	0.3
582.53973	0.3
647.36810	0.3
648.39246	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	649.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05693	2.0
51.02384	3.9
53.03948	11.0
55.01874	9.0
55.05519	26.5
57.03442	12.7
57.07090	2.3
58.42094	2.3
65.03938	7.5
67.05508	63.8
69.02841	16.6
69.03436	20.7
69.07071	13.5
71.05008	3.8
73.06549	3.3
77.03945	2.3
79.05497	100.0
80.05807	2.4
81.03421	36.3
81.07059	62.0
83.04993	25.1
83.08615	11.9
85.02924	13.7
85.06541	3.8
91.05486	94.3
92.89116	1.9
93.07050	81.0
93.07636	4.4
94.53773	2.0
95.04970	31.8
95.08617	30.7
97.02873	9.4
97.06557	11.0
97.10191	5.4
99.04463	6.2
99.08086	2.3
103.05477	5.1
105.04526	5.2
105.07036	62.5
107.04955	15.6
107.08600	25.8
109.02921	5.6
109.06509	11.9
109.10156	8.1
111.04408	2.9
111.08105	2.8
115.03954	2.5
115.05444	7.7
117.07034	18.2
119.04898	2.5
119.08591	37.1
121.06509	7.4
121.10151	12.7
123.04455	2.6
123.08091	10.7
125.05972	3.1
125.09608	2.8
127.03917	6.8
128.06230	10.5
129.05521	3.9
129.07002	37.0
129.07906	3.3
130.07780	2.4
131.04904	3.9
131.08571	23.5
133.06499	7.2
133.10146	18.0
135.08058	3.6
135.11688	5.2
137.09634	2.8
141.07024	8.5
143.08542	22.7
145.06502	8.8
145.10120	20.6
147.08028	5.5
147.11694	42.8
151.07545	3.5
153.06958	2.4
153.86798	2.2
155.08533	5.8
156.09271	2.1
157.06506	4.7
157.10086	7.5
159.08051	5.1
159.11678	6.9
161.09644	8.6
161.13235	15.6
163.11234	5.0
165.07013	3.4
167.08504	3.8
167.10674	2.0
169.10127	4.7
171.08041	5.5
171.11696	36.1
172.12019	2.1
173.04480	8.5
173.05844	2.0
173.09627	4.7
173.13277	3.1
175.11230	2.9
175.14854	2.9
177.12785	2.7
181.10262	4.3
181.12106	3.1
183.11691	3.3
185.09599	2.8
185.13300	3.4
187.11263	3.0
189.12738	16.2
193.05009	3.8
197.13316	3.0
207.11845	3.5
207.13797	38.4
208.14151	2.1
213.12675	2.4
221.15250	2.8
223.14859	4.6
225.12621	3.0
225.14859	3.1
233.15343	2.6
241.15872	5.5
245.15474	4.0
251.14325	6.3
259.16937	3.4
261.14990	2.7
263.16083	2.4
269.15338	9.2
279.15927	4.0
281.14474	4.1
281.17477	56.9
287.16452	12.9
297.14987	2.4
305.17383	2.3
343.19049	4.6
361.19885	2.9
389.19385	2.4
425.21674	7.8
487.30643	39.2
488.30798	3.9
539.34430	2.8
567.33264	6.4
631.34497	3.9
649.38458	6.5
649.51398	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	649.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01870	0.5
55.05513	1.9
56.68991	0.4
57.03449	1.2
57.37482	0.5
59.05002	1.3
65.03945	0.5
67.05506	3.0
69.03445	0.7
69.07065	1.9
71.04992	1.5
71.27895	0.5
79.05500	3.0
81.03424	1.3
81.07050	6.2
81.44939	0.5
83.04990	1.0
83.08628	1.2
84.49805	0.4
85.06569	0.5
91.05476	4.0
93.07056	4.0
95.04982	2.1
95.08619	3.4
97.06558	1.2
104.10758	0.5
105.07042	4.1
107.04980	0.8
107.08588	2.7
109.06535	1.8
109.10168	1.5
111.08103	0.9
117.07019	0.8
119.08589	3.1
121.06492	0.8
121.10158	4.0
123.08086	1.7
123.11797	0.6
125.06004	0.5
125.09677	0.6
129.07042	1.1
131.08601	2.0
133.10156	2.0
135.08070	0.9
135.11691	1.1
137.09634	1.0
142.07837	0.5
143.08597	1.2
145.10164	1.6
147.08086	1.5
147.11719	2.1
149.09656	1.5
151.07578	1.1
157.10202	1.6
159.11681	1.4
161.09758	0.5
163.11246	1.5
165.09123	0.5
167.10704	0.6
169.10138	0.8
171.11821	0.7
173.13286	0.9
175.11191	0.9
181.12224	1.1
183.11702	0.6
189.12784	0.8
221.15434	1.6
223.14981	0.6
233.11581	0.6
264.48495	0.4
283.15131	7.4
333.20306	6.9
334.20502	0.5
339.17746	4.5
340.18484	0.5
389.22986	4.4
411.20056	0.7
489.53714	0.5
649.39215	100.0
650.39539	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08991	1.0
50.45237	0.9
53.03948	2.8
55.01865	1.0
55.05511	5.6
57.07076	5.5
59.04992	2.2
65.03942	1.5
65.90498	0.9
66.00500	1.1
67.05508	13.9
69.03426	6.9
69.07067	5.6
71.04978	3.3
71.27946	1.2
79.05492	13.5
80.06283	1.9
81.03430	1.8
81.07059	14.9
83.05006	4.7
83.08612	4.0
85.02917	1.6
85.06534	3.6
86.09702	1.0
91.05482	20.5
92.06294	1.4
93.06474	1.9
93.07044	32.8
95.04980	9.5
95.08607	18.2
97.06532	4.2
99.04458	1.2
103.05415	1.3
104.35646	1.0
105.04510	1.3
105.07031	29.5
106.07857	1.3
107.08605	16.6
109.06519	32.5
109.10165	7.7
110.06883	1.5
111.08100	6.2
115.05446	2.4
116.06285	1.1
117.07010	7.4
119.08582	23.3
121.06483	6.2
121.10146	44.0
122.07278	2.4
122.10526	2.0
123.04397	1.2
123.08068	16.8
123.11712	1.7
125.05994	2.5
125.09624	3.1
127.03928	1.2
128.06226	5.1
129.07016	5.3
130.07774	1.7
131.08562	12.5
133.06480	2.2
133.10126	14.7
135.08064	12.3
135.11693	3.6
137.05971	1.7
137.09615	12.3
139.07530	2.5
139.11169	14.1
141.07002	2.2
142.07750	6.3
143.08556	15.5
144.09329	3.8
145.06512	1.3
145.10132	18.8
147.08047	16.5
147.11684	3.4
148.08759	1.0
149.09598	6.4
149.13292	1.0
151.07541	20.0
153.09120	3.0
155.08557	6.2
156.09367	5.8
157.10141	17.8
158.10849	2.4
159.08052	3.2
159.11693	8.5
160.08891	1.5
161.09688	5.7
161.13268	3.0
163.11197	7.1
165.06963	2.4
165.09119	33.7
167.08612	3.6
168.09332	2.0
169.10156	6.3
170.10867	3.8
171.08202	1.0
171.11690	8.6
172.12492	1.1
172.28717	1.1
173.09639	3.3
173.13252	4.8
174.10452	1.5
175.11163	7.2
175.14867	1.9
177.09048	2.0
179.08554	2.0
179.10704	2.0
180.09364	1.2
181.10068	3.4
181.12206	4.0
182.10901	1.9
183.11707	6.2
184.07349	2.1
185.09639	2.2
185.13258	6.7
187.11171	3.0
187.14919	2.0
188.11813	1.2
189.12738	5.0
190.13509	3.2
191.10709	2.4
191.14284	2.0
193.10138	2.2
193.12247	3.3
194.10825	2.1
195.11731	4.5
196.12410	1.6
197.13254	5.6
199.11110	3.2
199.14778	2.3
201.12762	3.8
203.14320	14.4
205.12210	1.1
206.10870	1.0
207.11792	2.5
207.13815	9.0
208.14421	1.6
209.13260	4.2
209.15379	3.8
211.11212	1.8
211.14888	2.3
213.12769	2.7
213.16312	1.2
215.14285	1.4
216.15045	1.1
217.12271	1.9
219.11639	1.1
219.13820	1.6
221.15359	100.0
222.15704	6.1
223.14871	1.7
225.12700	1.2
227.14281	2.0
229.15811	1.3
230.50084	1.0
233.15413	3.1
234.16206	4.1
235.14931	1.2
237.12756	1.1
237.16428	2.3
239.14233	1.8
243.13893	1.2
247.16953	3.0
253.15961	1.5
255.13815	1.2
255.17253	1.3
256.18201	1.1
259.17062	1.2
276.17270	6.4
281.18884	1.6
283.16782	1.5
286.19202	6.2
287.20053	2.4
290.18668	1.6
293.18866	1.0
299.20117	3.8
311.20117	2.0
312.20883	2.4
313.21600	4.1
324.47742	1.1
352.24033	2.3
356.23453	4.8
365.25031	1.1
393.27863	2.4
418.28564	1.9
435.28857	3.0
436.29599	4.2
539.33673	4.9
553.05298	1.1
557.34161	1.5
569.34503	2.8
631.39807	11.0
632.39972	1.7
649.40570	27.0
650.41241	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	649.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00065	1.2
53.03949	3.3
55.01869	2.3
55.05512	8.4
57.03438	1.8
57.07072	7.9
59.05004	4.0
65.03951	2.3
67.05510	13.7
69.03427	7.9
69.07069	4.2
70.42670	2.6
70.43011	2.1
71.05000	4.2
79.05501	12.9
80.06303	1.6
81.03444	1.7
81.07069	17.6
83.04990	5.6
83.08629	4.9
85.02929	1.4
85.06551	3.5
86.25961	1.3
87.07482	1.3
91.05489	24.7
93.07047	34.0
95.04990	8.6
95.08609	16.3
97.06552	4.7
103.05482	1.4
105.04520	1.3
105.07040	36.2
106.07864	2.1
107.04913	1.4
107.08606	15.2
108.16084	1.3
109.06517	35.9
109.07253	2.0
109.10160	10.1
111.04446	1.8
111.08070	7.0
113.06080	1.5
115.05449	2.8
117.07024	7.7
119.08585	25.9
121.06549	6.1
121.10149	58.0
122.07333	1.9
122.10420	1.6
123.04441	1.7
123.08078	20.0
125.06033	3.5
125.09601	2.2
128.06223	4.9
129.07047	6.7
130.07811	1.9
131.08578	11.6
133.06526	2.3
133.10135	16.0
135.08072	13.4
135.11723	3.6
136.08841	1.1
137.05952	2.6
137.09616	10.6
139.07573	2.4
139.11183	15.3
141.07002	4.0
142.07756	8.2
143.08557	15.4
144.09303	4.0
145.06473	1.7
145.10123	18.0
147.08054	21.4
147.11748	3.4
149.09624	8.6
151.07547	22.8
151.11145	1.6
153.09134	3.7
155.08572	5.1
156.09354	6.2
157.10143	18.6
158.10895	3.2
159.08083	3.4
159.11696	12.2
160.08824	1.8
161.09669	7.1
161.13272	5.8
163.11224	5.5
165.07057	1.5
165.09122	38.4
166.07806	1.6
167.08585	3.0
167.30602	1.2
168.09279	2.0
169.10120	7.7
170.10832	2.0
171.08000	1.4
171.11691	9.0
173.09631	5.8
173.13350	5.9
175.11148	9.6
175.14899	1.7
177.09213	3.1
179.10733	1.6
180.09315	2.3
181.10132	4.1
181.12292	5.5
182.10892	2.4
183.11710	8.3
185.09703	2.1
185.13326	9.1
187.11224	3.8
187.14891	1.6
189.12712	7.8
190.13560	3.9
191.10699	3.6
191.14348	2.1
192.09402	1.5
193.10120	2.3
193.12195	2.7
194.10957	2.0
195.11749	5.8
196.12352	1.9
197.09706	1.9
197.13278	4.9
198.10321	1.5
199.11218	4.1
199.14812	2.5
201.12820	2.9
203.14326	15.5
207.11824	2.6
207.13870	10.0
208.12534	1.9
208.14543	2.8
209.13297	5.0
209.15393	3.4
211.11192	2.7
211.14920	2.2
213.12805	3.3
213.16452	1.8
215.10620	1.2
215.14346	2.7
219.13824	1.9
221.15370	100.0
222.15752	5.4
225.12814	3.0
227.14302	3.0
229.16077	1.3
234.16165	2.7
237.12692	1.4
243.13812	1.5
247.16975	4.8
255.17491	2.1
256.18289	1.6
259.17017	1.5
267.17438	1.5
271.03217	1.5
271.16925	2.9
276.17142	6.8
276.38297	1.4
286.19315	4.7
287.20074	3.6
290.18707	2.3
299.20093	3.7
312.20871	2.0
313.21692	6.6
325.21765	2.1
352.24094	2.9
356.23483	7.8
365.24710	2.7
418.28900	2.6
421.27496	2.1
435.28992	3.3
436.29581	3.9
465.30261	1.4
539.33771	2.9
569.34290	1.4
631.40045	8.9
632.40228	2.7
649.40955	25.3
650.41461	5.8
670.18066	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	649.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01865	2.0
55.05510	5.4
57.07079	6.2
58.02660	1.5
59.04998	3.4
65.03932	2.3
67.05511	12.7
69.03436	4.4
69.07069	3.5
69.35285	4.9
69.35708	2.4
71.04993	3.0
79.05509	11.2
81.07066	12.5
83.04977	3.9
83.08628	3.0
85.02927	1.5
85.06557	4.4
91.05488	20.9
93.07047	31.0
95.04967	9.9
95.08614	17.8
97.06544	4.3
103.05492	3.1
105.07043	26.4
106.07870	3.2
107.04953	2.0
107.08602	15.5
109.06525	32.2
109.10160	7.4
111.08086	3.8
115.05466	2.7
117.07013	5.9
119.08585	23.1
121.06508	7.7
121.10154	48.8
122.07332	2.3
123.08073	17.5
125.05991	2.7
125.09656	2.7
128.06229	4.2
129.07031	4.2
130.07794	2.6
131.08554	12.1
133.06468	2.4
133.10135	15.0
135.08061	13.3
135.11703	1.8
137.06027	1.7
137.09627	10.4
139.11194	14.7
142.07797	6.7
143.08551	13.1
144.09352	3.2
145.10115	18.0
147.08081	14.2
147.11708	1.7
149.09613	6.4
151.07561	18.3
153.07042	1.8
155.08568	5.0
156.09352	4.6
157.10152	14.0
159.08092	2.6
159.11711	9.7
161.09618	6.3
161.13303	3.8
163.11191	6.3
165.07007	2.1
165.09135	34.4
167.08650	2.3
168.09349	3.3
169.10097	6.8
170.10826	2.9
171.11630	8.2
173.09630	2.9
173.13297	5.0
175.11163	4.9
175.14839	1.8
177.09160	2.8
180.11496	1.5
181.10161	3.8
181.12283	4.2
183.11707	8.2
183.26900	1.6
185.13287	6.1
187.11176	3.5
189.12755	6.3
190.13451	3.0
191.10709	5.0
191.14381	2.5
193.10094	1.8
193.12198	2.1
195.11760	4.8
197.09586	1.9
197.13269	4.7
199.11214	2.5
199.14847	4.1
201.12778	4.4
203.14375	15.0
207.11952	2.2
207.13814	9.8
208.14395	2.1
209.13287	3.8
209.15266	1.9
211.14845	2.3
213.12802	2.6
213.16417	2.4
215.14514	1.5
217.12296	2.1
221.15366	100.0
222.15741	6.0
227.14302	2.8
233.15413	2.4
234.16130	3.7
237.16573	1.4
243.13786	1.6
247.17036	4.4
255.17390	1.7
258.16513	1.8
267.17413	1.8
271.17072	3.1
276.17188	7.1
286.19293	6.2
287.20059	2.2
299.20099	3.1
312.20966	3.4
313.21686	5.9
352.23697	2.1
356.23407	5.4
365.24396	1.9
393.27792	2.3
418.28409	2.9
435.28442	3.0
436.29486	3.3
539.33679	4.0
631.39978	8.7
632.39911	3.2
649.40936	23.9
650.41138	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	650.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
60.31433	0.2
68.68895	0.2
69.75939	0.7
79.01823	0.3
79.05501	0.7
81.03433	0.3
91.05482	1.0
93.07053	1.8
97.02877	0.3
103.04785	0.5
103.05465	7.9
107.04964	1.7
120.08108	100.0
121.08443	2.7
127.03889	0.6
128.62103	0.3
131.04936	2.5
143.03410	0.5
149.06010	1.5
153.01839	7.8
153.02959	0.4
166.08643	46.1
167.09004	2.1
169.21655	0.2
171.02853	0.5
190.94490	0.2
227.15775	0.3
292.59332	0.2
297.06030	0.4
306.72479	0.3
336.47198	0.2
349.40686	0.3
514.05621	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	650.439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05041	0.7
56.90228	0.1
57.07063	0.3
58.06626	0.5
58.54821	0.1
59.07390	0.2
60.08164	5.8
60.65702	0.1
65.84523	0.1
67.05515	0.7
67.60769	0.1
68.17662	0.1
69.24496	0.8
70.06580	0.3
71.07374	3.6
73.59342	0.1
81.07057	0.3
81.85052	0.1
82.30484	0.1
86.09705	30.0
87.10040	0.4
94.54100	0.1
95.08624	0.3
98.23325	0.2
98.98464	3.3
104.10738	2.2
109.10130	0.4
125.00003	20.4
125.43288	0.1
126.00323	0.2
143.01065	0.2
170.07039	0.1
175.58461	0.1
184.07341	100.0
185.07690	1.6
186.48341	0.1
240.79753	0.1
252.39328	0.1
312.49646	0.1
467.37335	0.1
496.34003	0.3
600.61859	0.1
650.43921	5.0
651.43951	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	651.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02381	1.5
52.28798	0.2
53.00312	0.6
53.03939	0.7
55.01873	0.5
62.35682	0.2
64.30370	0.2
68.99788	0.2
69.03437	1.4
69.62947	0.8
71.04978	0.3
79.01855	8.3
81.03423	3.0
85.02931	0.2
87.00845	0.2
97.02885	2.0
98.23325	0.3
99.04460	0.5
107.01340	1.5
107.04971	0.3
109.02882	4.6
117.03369	0.3
123.00776	0.5
125.02362	3.6
127.03919	6.6
128.04243	0.2
133.02855	0.5
143.03407	8.8
144.03740	0.4
147.04465	0.3
151.03873	0.2
153.01833	100.0
153.02913	6.7
154.02171	4.3
154.03403	0.3
161.02403	0.9
163.03934	1.5
165.01875	0.3
171.02895	0.6
173.02422	0.4
179.03400	0.6
181.01337	0.3
189.01872	1.6
191.03363	2.0
201.01837	0.4
203.03358	0.3
207.02910	1.7
215.03505	0.2
217.01329	2.5
218.01933	0.3
219.02925	2.0
221.00784	1.0
229.01237	0.2
231.02887	0.6
231.82610	0.2
233.04469	0.3
235.02376	4.1
237.03857	0.3
245.00812	2.7
247.02423	1.2
257.00964	0.3
259.02222	0.9
261.04053	0.7
263.01907	1.4
273.00320	2.0
275.01974	1.0
277.03448	3.0
291.01294	1.2
297.06207	0.3
298.12476	0.2
300.99841	0.8
303.01425	0.4
319.00836	6.1
320.01172	0.6
337.01895	5.4
371.03882	0.2
379.02859	0.3
427.03607	0.3
445.04050	6.1
446.04294	0.9
463.05124	2.3
481.05923	0.3
615.05402	0.2
633.06775	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	651.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03429	1.5
61.02923	1.0
68.58376	0.5
68.99789	0.7
69.03432	30.9
70.62188	0.4
71.29512	0.5
81.03402	0.7
85.02903	6.8
86.09723	0.7
87.04469	0.9
95.04996	0.8
97.02898	27.9
106.55013	0.5
109.02859	0.9
111.00802	0.6
115.03935	20.8
120.35830	0.5
121.02853	1.1
127.03880	0.5
137.02354	3.8
149.02242	0.7
153.01862	3.4
157.05016	2.5
161.06050	0.6
165.01784	2.4
169.42146	0.5
175.06035	14.3
183.02870	1.2
201.05493	2.0
203.03262	0.6
229.04955	3.9
229.33258	0.6
247.06024	0.9
257.04462	2.2
274.04855	0.7
285.04010	1.3
303.04990	100.0
304.05286	6.4
315.04971	7.3
320.56442	0.5
339.04993	0.5
351.06412	0.6
353.06415	0.9
369.06006	0.6
381.06064	3.6
393.64227	0.5
399.07013	2.1
441.08041	0.8
477.10410	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	651.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74723	0.4
53.03941	0.8
55.01859	0.7
55.05507	1.6
57.03433	1.7
57.07064	0.4
61.02938	3.5
67.05505	4.5
69.03439	2.6
69.07074	1.2
71.01360	0.6
71.04990	1.0
73.02930	2.6
79.05499	4.8
81.03426	2.4
81.07060	6.1
83.04996	1.2
83.08613	1.2
85.02911	4.2
85.06557	0.7
87.04498	0.5
91.03951	2.6
91.05476	3.5
93.07050	5.1
95.04955	1.6
95.08619	1.9
97.02901	2.9
97.06536	1.5
97.10176	0.9
98.23419	0.6
99.04483	0.5
101.02385	1.2
105.07029	2.4
107.08601	3.6
107.47660	0.4
109.02930	0.5
109.06534	0.8
109.10156	1.0
111.08021	0.4
117.07018	0.9
119.08578	1.2
121.06458	0.6
121.10175	1.6
123.08070	0.8
123.11707	0.7
125.06055	0.5
127.03939	1.5
129.07008	0.4
131.08559	0.8
133.10139	2.0
135.08055	0.4
135.11687	3.7
145.10139	1.0
147.08087	0.4
147.11716	1.0
149.13272	1.1
151.07619	0.4
151.11098	0.5
159.11710	0.8
161.13295	0.6
163.11226	1.1
167.10788	0.5
171.11699	0.7
181.12283	0.8
185.04283	0.6
189.12778	0.6
195.13867	0.6
207.13647	0.4
221.11574	0.7
235.13081	0.9
243.08415	2.1
277.14139	0.4
439.19336	6.6
440.19992	0.9
453.20963	7.7
454.21115	0.6
651.33447	100.0
652.33783	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	651.3353
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
51.70999	2.1
52.80609	2.4
59.28528	2.2
59.88111	2.8
67.05530	5.1
70.84153	3.8
79.05505	5.4
81.07067	5.3
83.08642	2.3
90.82417	2.6
93.07069	4.8
97.02957	2.9
107.08587	3.5
135.11826	3.2
192.21547	2.7
209.62126	2.7
439.19421	7.3
453.21216	6.0
646.71393	2.6
651.33521	100.0
652.33942	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58786	0.4
53.03947	1.2
55.01870	0.4
57.03433	1.0
61.02927	0.6
66.94942	0.4
69.03433	6.3
70.17246	0.9
71.01352	0.3
71.04993	0.6
73.02921	1.0
79.01859	1.5
81.03419	2.7
85.02914	4.9
97.02895	0.9
99.04448	0.7
103.05473	0.5
104.94937	0.3
108.04453	0.4
109.02872	1.6
119.79815	0.4
125.02357	0.5
127.03918	7.8
131.04950	0.4
143.03400	1.3
145.05017	0.3
147.04430	1.0
153.01836	16.8
153.02916	1.0
153.71082	0.3
154.02132	2.1
157.02919	0.4
163.03926	0.5
175.03923	1.1
185.02292	1.1
187.03905	2.9
191.03441	1.1
200.90129	0.3
201.01845	0.4
203.03445	2.2
213.01836	2.3
215.03400	3.1
219.02838	0.8
225.31998	0.4
229.01236	0.9
231.02902	13.8
232.03337	0.7
241.01329	2.6
247.02367	1.2
257.00842	0.6
259.02396	28.8
260.02774	1.6
275.01950	1.9
276.02591	1.5
277.03442	100.0
278.03766	5.5
285.00253	0.6
303.01370	16.0
304.01801	0.9
319.00900	0.5
320.01212	0.6
321.02328	4.1
337.01810	0.5
339.03876	0.5
363.03400	3.5
385.05566	1.2
429.04434	0.5
446.04190	0.8
465.06683	9.4
466.07016	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	652.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.4
51.59133	0.4
53.03939	0.6
69.03423	0.9
70.45303	0.6
70.45618	0.5
76.58635	0.4
79.01849	2.3
81.03422	2.6
85.02878	0.8
87.14552	0.4
93.07037	0.4
97.02887	1.7
99.04450	0.7
103.05459	1.1
107.01320	0.7
109.02870	2.0
121.06509	9.5
125.02339	1.7
127.03937	2.8
131.04947	0.4
138.09134	2.2
143.03377	2.1
145.05019	0.5
147.04405	0.7
153.01828	34.8
153.02907	2.1
154.02159	0.9
157.02814	0.7
159.04419	0.5
171.02899	1.2
175.03912	1.2
185.02365	1.0
187.03868	4.5
191.03322	0.4
201.01997	0.4
203.03445	3.1
213.01781	2.7
215.03392	3.2
231.02899	14.5
232.03207	0.7
241.01309	2.4
247.02440	0.8
257.00790	1.1
258.81946	0.4
259.02371	25.8
260.02740	1.6
261.03937	0.5
275.01895	1.5
276.02689	0.7
277.03427	100.0
278.03741	5.2
285.00076	0.5
297.06042	1.4
303.01328	11.1
304.01907	0.4
315.07037	1.1
321.02505	3.3
447.05545	1.4
447.91187	0.4
607.38428	0.5
617.07471	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	652.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
57.28317	0.3
57.96085	0.3
69.03423	1.1
69.97969	0.4
69.98296	0.8
76.68759	0.3
79.01865	2.1
81.03419	3.0
85.02903	0.5
97.02894	3.1
99.04477	0.8
100.39905	0.3
103.05467	1.2
107.01324	0.8
109.02869	2.2
120.08109	5.5
121.06601	0.6
121.08456	2.0
125.02354	1.2
127.03913	4.4
131.04900	0.6
143.03432	3.0
145.04951	0.7
147.04420	0.8
153.01836	35.8
153.02910	1.9
154.02164	1.5
157.02827	0.4
166.08636	2.4
167.08957	0.7
168.09055	0.4
171.02882	2.4
175.03868	1.5
185.02309	0.8
187.03926	3.5
191.03519	0.4
191.66466	0.4
201.01842	0.5
203.03351	1.7
213.01846	2.1
215.03378	3.4
219.02815	0.4
221.24149	0.3
229.01286	0.5
230.01929	0.4
231.02893	15.1
232.03305	0.7
241.01247	2.8
247.02403	0.7
257.00888	0.7
259.02393	26.0
260.02771	1.1
275.01828	1.5
276.02750	0.7
277.03433	100.0
278.03754	4.1
285.00327	0.6
297.05969	1.0
303.01358	10.4
304.01770	0.5
315.07077	1.1
321.02380	3.1
339.03464	0.7
447.05502	1.8
617.07593	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	652.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
56.69806	0.3
57.03445	0.6
61.02921	0.3
62.00127	0.3
66.48225	0.3
69.03081	0.5
69.03432	5.9
69.66051	0.3
70.11471	0.3
70.57336	0.7
71.04993	0.9
73.02908	1.2
81.03417	3.2
85.02911	5.4
97.02898	1.0
99.04443	1.0
103.05475	0.5
107.01331	0.3
109.02894	1.4
127.03915	7.0
131.04942	0.4
137.05981	3.7
139.03900	0.6
140.72504	0.3
143.03427	0.5
147.04433	0.8
151.03879	0.3
153.01834	7.6
153.02911	0.4
154.02159	0.4
157.02847	0.7
159.04437	0.3
163.03905	0.4
171.02931	0.9
175.03923	1.2
185.02368	0.7
187.03900	3.3
201.01878	0.7
202.77707	0.3
203.03389	2.6
213.01849	2.7
214.70230	0.3
215.03418	3.3
219.02939	0.4
229.01234	0.4
230.01959	0.4
231.02890	15.5
232.03244	1.2
241.01305	2.3
247.02490	0.8
257.00684	0.3
259.02396	26.8
260.02734	1.4
261.03937	0.3
273.10846	0.3
275.01831	1.3
276.02573	1.1
277.03439	100.0
278.03766	5.0
285.00195	0.4
289.03555	0.3
297.05911	0.5
303.01364	16.8
304.01611	0.8
315.07068	0.9
321.02417	4.5
323.26541	0.3
357.05933	0.4
363.03430	3.1
385.05643	1.5
411.03357	0.4
429.04544	0.5
465.06766	9.0
466.06732	0.5
519.72821	0.3
533.31305	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	652.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35532	0.5
50.78492	0.3
51.02375	0.6
53.03955	0.7
55.01888	0.4
57.03431	0.4
69.03451	1.9
69.14326	0.3
69.51522	0.7
69.51905	0.6
79.01862	3.1
81.03042	0.4
81.03430	3.7
85.02915	0.6
86.27085	0.3
96.27493	0.3
97.02903	4.0
97.15257	0.3
98.22620	0.4
99.04503	0.7
103.05479	0.9
107.01320	0.8
109.02876	2.3
125.02386	2.3
127.03932	2.7
129.03333	0.3
129.87833	0.3
130.56038	0.3
131.04878	0.7
143.03407	3.9
145.04945	0.5
147.04419	1.2
153.01839	66.4
153.02896	3.2
154.02171	1.9
157.02885	1.3
171.02913	2.7
173.02396	0.4
175.03940	2.1
181.97653	0.3
185.02338	1.5
187.03926	4.4
191.03525	0.3
201.01875	0.8
203.03432	3.3
203.11116	0.3
213.01895	2.8
215.03412	4.4
216.03920	0.3
229.01405	0.7
230.02119	0.5
231.02898	19.2
232.03270	0.7
241.01299	3.6
247.02423	1.1
252.21951	0.3
257.00812	1.3
258.01544	0.3
259.02402	32.9
260.02805	1.8
263.36792	0.3
275.01932	1.4
276.02710	0.8
277.03445	100.0
278.03781	4.4
285.00327	1.2
297.06137	2.9
303.01367	13.6
304.01749	0.8
315.07092	3.5
316.07587	0.3
321.02515	2.5
355.04697	0.6
399.03296	0.8
617.07727	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	652.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16195	0.2
65.03936	0.9
69.03400	0.3
69.67494	1.1
85.02880	0.2
91.05486	8.1
92.05820	0.3
97.02872	0.2
99.04436	0.4
109.02875	1.5
112.21200	0.2
119.04950	21.3
120.05270	0.5
121.06551	0.3
125.41283	0.2
127.03908	0.9
137.05896	0.2
139.03951	0.2
143.14787	0.2
147.04414	100.0
148.04744	3.3
165.05510	1.0
179.03455	0.3
205.04845	0.2
208.46542	0.2
223.35049	0.2
229.08676	0.5
273.07571	0.3
291.08719	0.5
301.03592	0.4
302.04266	1.5
317.06592	2.6
318.13449	0.2
455.13388	9.5
456.13843	1.1
491.11679	1.1
652.22534	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	653.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01864	0.4
55.05513	9.0
55.39128	0.2
57.37038	0.2
62.51623	0.3
69.77973	1.1
81.44345	0.2
83.01102	0.6
83.04987	55.6
84.05328	0.8
85.02916	0.5
111.04449	100.0
112.04783	2.5
125.02099	1.0
127.03874	0.6
129.05501	1.9
133.02625	0.8
153.05476	34.2
154.05814	1.0
171.06541	3.1
175.03670	1.1
177.13286	0.3
193.04741	34.3
194.05043	0.9
213.07549	0.8
234.07301	0.3
235.05782	25.0
236.06143	0.5
273.09561	0.7
295.07904	46.7
296.08203	2.1
340.96854	0.3
380.98615	1.6
462.37549	0.3
487.24631	0.3
489.73450	0.3
554.68750	0.3
653.07404	4.8
654.07397	1.0
654.83301	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	653.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.4
53.03941	4.1
55.01868	4.3
55.05525	8.3
56.33261	1.2
57.07035	1.2
58.58687	1.2
65.03945	2.2
67.05502	35.9
68.99445	2.3
68.99795	34.5
69.03419	4.2
69.07073	15.4
69.09325	11.4
70.94664	1.4
71.01363	6.4
71.04987	1.8
79.05496	35.6
81.03419	21.6
81.06587	2.1
81.07062	31.8
83.04976	3.7
83.08628	8.1
85.06551	2.7
89.03922	7.9
91.05480	21.8
93.07043	27.1
95.01321	8.1
95.04972	26.7
95.08611	41.7
97.02888	4.5
97.06531	11.1
97.10165	1.9
105.03374	1.6
105.07036	10.3
107.04960	7.4
107.08604	15.6
108.77236	1.4
109.02888	2.6
109.06513	1.8
109.10143	12.1
111.00810	94.1
111.04434	5.0
111.08080	4.8
112.01153	2.1
113.02389	1.8
117.03379	7.2
117.07021	7.5
119.04925	1.9
119.08562	7.4
121.02866	3.8
121.06509	20.3
121.10138	15.5
123.04420	5.1
123.08098	2.0
123.11722	4.9
127.03921	53.3
129.06985	3.9
131.08562	8.8
133.06479	5.3
133.10146	9.8
135.04425	15.3
135.08066	11.3
135.11714	9.3
137.02432	2.5
137.05975	3.5
137.09619	3.6
139.03897	9.0
141.06975	2.3
142.52802	1.5
143.08513	2.1
145.02849	9.0
145.06464	2.6
145.10127	7.0
147.04388	1.5
147.08112	2.1
147.11649	3.6
149.06004	2.1
149.09685	1.6
149.13263	2.4
151.03838	2.5
151.11272	1.5
153.01855	8.5
155.03395	39.5
155.08420	1.2
157.04984	23.8
157.06396	1.9
157.10101	2.1
159.08047	2.6
159.11697	2.7
161.05974	5.2
161.09532	1.3
161.13274	2.9
163.02533	3.1
163.03914	64.1
163.07549	27.4
164.04288	1.8
165.05504	3.0
169.10033	1.5
171.11699	2.1
173.13219	1.8
175.07594	1.8
175.14781	1.3
177.05444	1.6
177.09103	5.7
179.07059	2.3
181.04970	19.8
181.08632	7.9
185.13150	2.0
187.07512	2.3
189.05479	6.4
205.08606	42.8
206.08905	2.1
207.06537	13.2
215.17990	2.8
221.08015	1.7
223.09660	89.6
224.09962	5.2
233.18996	2.5
251.20015	7.6
287.23828	1.9
301.21558	1.6
301.24988	1.3
303.23016	1.7
311.23779	1.5
319.22675	2.0
329.24661	1.8
344.69550	1.5
347.25583	2.2
390.85159	1.5
413.27170	1.7
428.74442	1.3
437.27054	9.7
455.27936	24.4
456.28146	2.4
473.28998	100.0
474.29480	9.4
491.30032	2.5
653.36450	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	653.3319
Annotation	Gnididilatin
Peak:m/z	Relative Intensity
53.03938	2.1
53.11306	0.5
55.01881	2.5
55.05505	2.3
57.03436	0.8
65.03944	1.4
67.05507	14.8
68.99789	2.3
69.03436	4.4
69.07070	5.0
69.19558	0.8
69.19965	2.3
71.01341	0.7
71.04993	0.5
77.71215	0.5
79.05495	15.2
81.03418	46.3
81.07057	11.5
82.03730	0.5
83.01337	1.2
83.04962	1.0
83.08620	2.0
85.02915	1.4
89.03928	1.1
91.05486	8.5
93.03417	1.1
93.07046	12.2
94.07397	0.6
95.04967	10.7
95.05562	0.8
95.08051	0.8
95.08613	9.7
96.05300	0.5
97.02909	2.5
97.06531	4.2
97.10159	1.1
99.04445	0.6
103.05468	1.3
105.03439	1.0
105.07027	5.8
107.04945	4.9
107.08601	5.0
109.02888	1.5
109.06513	1.7
109.10131	3.6
111.00801	2.8
111.04458	2.7
111.08081	1.9
113.02316	0.9
115.05503	0.9
117.03394	1.6
117.07007	4.6
119.04930	1.2
119.08587	5.5
121.02877	3.4
121.06509	5.6
121.10139	5.3
123.04427	3.6
123.08044	1.1
123.11684	1.4
125.02352	1.5
127.03912	3.4
128.06258	1.0
129.06999	1.8
131.08560	4.6
133.06490	1.4
133.10121	4.4
135.04424	2.9
135.08081	3.3
135.11717	3.0
137.05991	2.0
137.09619	1.4
139.03897	26.0
140.04262	1.2
141.01897	0.6
141.05501	1.1
143.08597	1.8
145.02859	1.7
145.06511	2.1
145.10127	3.7
147.04404	0.9
147.08038	2.5
147.11679	2.3
149.05969	1.4
149.09688	0.6
149.13216	0.7
151.03915	8.0
152.04355	0.6
153.01868	0.9
153.05446	2.0
154.25587	0.6
155.03378	0.8
155.08557	1.1
157.05043	1.2
157.06529	0.8
157.10129	1.7
159.08032	1.1
159.11722	1.7
161.06053	1.2
161.09700	1.1
161.13329	1.0
163.03908	10.8
163.07559	5.5
164.04315	0.7
165.05434	4.1
167.03409	5.7
169.10162	1.1
169.82887	0.5
171.08031	1.2
171.11725	1.7
173.05991	1.6
173.09624	0.7
173.13271	1.2
175.03912	8.6
175.07620	1.0
177.05498	2.1
179.07115	1.0
181.04970	2.4
181.08580	1.6
181.10054	0.8
183.08058	0.7
185.09589	0.8
187.07565	0.8
189.05493	1.4
189.09056	0.8
191.07053	2.7
193.04942	4.6
199.07611	1.3
201.05457	2.6
201.09203	0.8
203.07030	2.0
203.17989	1.7
205.08627	3.3
207.06551	1.4
215.06953	0.6
215.17975	1.2
217.08595	12.0
218.08904	0.6
219.06587	2.1
219.10078	0.6
221.08089	1.4
223.09685	1.9
231.10216	0.6
233.08072	0.7
235.09596	3.1
239.18066	0.6
275.19852	1.1
301.18048	0.9
341.21283	0.7
343.18903	0.8
359.22253	1.5
365.17700	0.6
387.21487	1.0
391.26300	0.9
395.26794	0.5
409.27496	1.2
411.25272	1.3
419.25790	4.6
437.26865	25.0
438.27191	2.4
455.27921	100.0
456.28238	10.9
473.28986	25.7
473.35776	0.8
474.29544	2.4
500.19321	0.5
526.81073	0.6
555.04425	0.6
653.37683	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	653.3527
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03944	11.1
55.01869	6.7
55.05270	2.5
55.05513	28.1
57.03439	15.2
61.02921	2.3
61.36961	1.4
65.03935	5.6
67.05506	69.8
68.05825	2.5
69.03429	15.4
69.07066	17.9
71.04985	8.2
73.06530	2.0
77.03912	2.3
79.05492	78.7
81.03419	100.0
81.07056	66.9
82.03770	1.6
82.07383	3.0
83.04984	27.2
83.08619	23.3
85.02907	15.0
85.06550	5.0
91.05482	66.7
92.05812	2.1
93.07045	64.3
94.07359	2.8
95.04964	40.0
95.08612	26.1
97.02886	12.0
97.06529	6.6
97.10169	5.6
99.04452	3.5
99.08112	2.2
101.02373	1.6
103.05455	2.9
105.04526	3.9
105.07034	47.8
106.72498	1.6
107.04955	13.8
107.08591	18.1
109.02892	8.3
109.06523	9.2
109.10145	15.0
110.10561	2.2
111.04471	7.1
111.08081	9.6
113.05956	2.2
115.05435	4.3
117.07017	12.9
119.08576	32.9
121.06499	6.4
121.10152	13.7
123.04370	1.7
123.08060	6.9
123.10764	1.3
123.11662	3.6
125.03302	1.4
125.09626	3.2
127.03926	7.2
128.06184	3.5
129.05504	3.2
129.07016	27.0
131.08580	13.5
133.06500	6.0
133.10143	17.4
135.08060	3.8
135.11722	4.2
137.09590	3.2
141.06998	2.5
142.07802	3.4
143.08536	8.3
145.10101	12.9
147.08047	5.9
147.11699	40.1
149.09619	3.7
155.08588	2.9
157.10095	7.9
159.08142	1.7
159.11691	3.3
161.09610	4.1
161.13268	10.6
163.11200	4.2
165.12762	2.1
171.11684	18.4
173.04501	2.1
173.09648	2.6
173.11781	2.1
173.13199	1.5
175.11209	9.9
189.12730	8.6
193.12230	28.6
207.13803	21.3
211.13297	28.9
211.15154	1.8
225.14861	2.2
227.12791	4.8
229.14305	3.1
249.14960	3.1
259.16660	1.6
267.15918	37.5
268.16272	2.6
269.15408	1.7
276.32941	1.6
281.17480	61.8
282.17896	2.3
285.16879	8.2
287.16559	1.9
301.80014	1.8
355.17566	2.0
397.25934	3.8
398.26102	6.6
412.28326	1.8
424.27472	2.4
429.21170	10.8
455.29608	3.1
456.30286	6.4
473.28986	87.9
474.29324	10.5
491.30078	13.7
515.30334	2.0
571.31781	1.8
617.32697	1.9
635.34094	20.2
636.34052	3.0
653.31879	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	654.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03942	0.5
55.01856	0.3
79.01865	4.3
80.74232	0.3
81.03418	1.7
81.08518	0.3
97.02882	1.1
107.01305	1.0
109.02886	3.1
123.00799	0.3
125.02374	2.4
127.03951	1.6
129.21329	0.3
143.03412	6.2
144.03703	0.4
153.01839	100.0
153.02879	4.8
154.02184	6.1
154.03406	0.5
159.04453	0.6
166.45258	0.3
171.02895	0.4
181.01274	0.4
196.39581	0.3
205.04927	0.3
215.03398	0.3
217.05122	0.4
221.00883	0.4
230.25269	0.3
233.04536	1.3
261.04013	1.4
266.40872	0.3
275.01941	0.5
277.03516	0.9
278.03738	0.4
279.04984	1.0
420.98285	0.3
449.07095	2.0
619.09198	0.7
658.08777	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	654.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03952	0.3
62.92339	0.3
69.03416	0.3
69.12512	1.4
69.12921	0.9
75.97626	0.3
79.01850	4.0
81.03424	1.5
89.63902	0.3
97.02887	1.0
97.60168	0.3
98.23383	0.6
107.01321	1.0
109.02881	2.5
122.26637	0.3
125.02361	2.8
127.03926	0.9
131.04900	0.4
143.03395	4.9
153.01831	100.0
153.02878	5.0
154.02142	2.8
159.04378	0.4
171.02913	0.6
181.01363	0.5
205.05020	0.4
215.03383	0.6
217.04930	0.3
233.04529	1.2
260.32834	0.3
261.04001	1.6
279.05038	1.0
297.06104	0.5
438.20227	0.3
449.07220	2.3
467.08176	0.5
470.36700	0.3
523.96918	0.3
619.09058	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	654.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03938	0.4
55.01853	0.4
60.09336	0.4
61.41597	0.4
68.64183	0.4
68.95157	0.4
69.03429	1.1
71.09411	0.5
78.87854	0.5
79.01852	4.7
81.03408	1.3
85.02912	0.4
97.02881	0.7
107.01344	1.0
109.02881	0.7
125.02374	2.8
127.03926	2.3
143.03415	5.8
153.01837	100.0
153.02907	5.7
154.02162	5.7
154.03304	0.4
163.07413	0.4
177.05481	0.4
191.03445	1.5
204.27220	0.4
209.17686	0.4
223.21133	0.4
231.02982	0.8
237.03915	3.4
245.92720	0.4
259.02277	0.9
261.03772	0.8
267.04858	0.5
275.01959	0.5
276.02216	0.5
277.03430	3.0
278.03793	2.1
279.03979	2.4
279.48611	0.5
280.04623	0.5
297.06036	1.9
449.07156	7.6
450.07117	0.5
467.08163	3.4
513.12903	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	654.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41202	0.3
51.02381	0.8
70.31336	0.3
79.01854	4.2
81.03414	2.0
97.02898	1.1
107.01313	0.9
109.02901	2.5
120.56612	0.3
125.02325	2.3
126.72654	0.3
127.03903	1.4
128.29755	0.3
143.03395	5.4
152.21997	0.3
153.01830	100.0
153.02864	4.8
154.02171	3.8
154.03297	0.6
159.04404	0.4
168.00920	0.3
181.01176	0.3
189.05365	0.3
213.04004	0.4
217.04996	0.4
233.04346	1.5
237.04190	0.4
261.03897	1.8
277.03510	0.7
279.04919	1.3
297.06058	0.4
383.20563	0.4
432.57712	0.3
449.07077	2.1
467.08463	0.3
619.09125	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	654.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02384	0.7
53.00306	0.2
66.17287	0.2
67.62965	0.2
69.66175	1.1
79.01856	4.9
81.03408	0.5
97.02892	0.8
100.63741	0.2
101.10925	0.2
107.01302	0.8
109.02906	0.8
123.00771	0.3
125.02353	2.7
127.03916	0.7
129.56271	0.2
143.03401	6.1
153.01831	100.0
153.02853	4.7
154.02164	3.2
159.04395	0.3
171.02803	0.2
233.04437	0.6
237.03964	0.9
261.03976	1.3
275.14493	0.2
277.03397	0.4
279.04849	0.9
281.37735	0.2
297.06061	0.8
389.28738	0.2
449.07190	5.6
449.13336	0.3
450.07639	0.3
467.08090	1.1
619.08887	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	654.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01871	0.8
56.66760	0.3
60.18032	0.3
65.03931	1.1
69.03427	0.8
69.07462	3.4
69.39493	0.4
77.03922	0.5
79.05471	1.2
80.93370	0.3
81.03407	0.8
81.07054	1.8
85.02891	1.6
91.05482	8.7
93.07039	10.7
93.48534	0.4
94.04185	3.6
94.42775	0.4
95.04964	2.0
95.87731	0.5
103.05468	7.8
105.04501	1.5
107.04929	1.4
109.06516	6.9
115.05442	2.0
117.03391	0.5
119.04908	0.6
121.06503	75.7
122.03639	6.7
122.06843	2.7
129.06989	0.6
131.04858	0.9
135.04395	0.7
137.05972	100.0
138.06285	2.5
138.09132	12.0
141.03325	0.9
143.04903	0.8
144.05650	1.2
145.02876	0.8
145.06523	0.4
146.03615	0.6
146.06015	0.6
147.04398	0.8
147.08029	0.5
149.06003	1.0
151.03923	0.6
153.01845	2.4
153.05481	0.4
160.05197	8.3
161.05981	2.6
163.07483	0.9
164.07045	4.4
172.05196	3.2
173.05942	0.7
175.07549	20.4
176.07898	1.0
177.05545	1.0
186.03156	0.5
187.07541	9.8
188.04651	0.6
188.08055	0.8
189.05455	0.5
189.06982	0.8
191.07054	2.1
191.08546	0.6
193.43666	0.4
198.38702	0.4
201.05392	59.5
202.05721	2.8
203.06953	0.7
205.04932	0.9
206.07361	0.6
207.06450	0.6
213.05469	0.4
215.07129	0.9
216.04176	0.7
217.06552	1.1
218.07559	0.8
219.08029	3.9
221.05946	0.6
222.11150	0.6
230.08078	2.1
231.06511	6.8
233.09610	1.0
234.06714	2.0
235.07503	1.2
236.08333	1.6
237.09029	1.1
245.06004	0.4
246.06758	0.5
247.07567	3.5
248.08234	1.0
249.09122	2.3
251.06996	1.4
251.10648	2.9
253.08623	1.7
261.09137	1.7
262.06113	1.9
263.07053	2.3
263.14703	0.4
264.07837	2.2
265.08582	2.0
268.07394	0.9
270.05368	1.0
270.08710	0.6
276.07932	0.5
277.08578	6.5
278.09192	1.0
279.06595	1.3
279.10138	5.7
280.07333	0.5
280.10822	0.6
281.08084	1.3
283.09656	2.2
287.05411	1.0
293.08127	0.7
294.08875	1.9
295.09592	1.2
296.10406	12.3
297.10959	0.9
305.08084	4.1
306.08484	0.8
309.11249	4.2
310.11563	0.5
311.12759	6.2
312.13037	0.6
316.05750	0.8
322.08234	1.1
325.10751	0.8
331.08105	4.1
337.10666	7.5
338.13852	25.3
339.14148	2.1
341.42932	0.4
350.13867	2.0
354.13312	0.4
355.11731	17.2
356.12042	2.0
462.18951	0.5
470.42834	0.4
474.19077	20.6
475.19440	2.6
492.20157	100.0
493.20432	12.3
654.11182	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	654.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.0
53.03949	3.3
55.01855	1.5
57.03412	1.9
61.02896	2.5
65.03905	0.9
69.00066	2.4
69.00486	3.4
69.03434	9.2
71.04965	1.6
73.02877	1.9
77.03922	0.9
79.05473	1.7
79.97726	0.7
81.03419	3.7
81.07059	0.8
85.02451	1.0
85.02911	14.5
87.04420	1.1
89.03897	0.8
91.03943	0.9
91.04987	0.7
91.05487	13.0
93.07047	10.5
94.04168	2.2
95.04975	3.5
97.02904	5.2
99.04429	1.2
103.03947	0.7
103.05476	11.9
104.05730	0.8
105.04477	1.7
105.07010	2.7
107.04922	1.6
109.02862	1.5
109.06490	1.9
111.04381	0.8
112.63608	0.6
115.05450	4.0
117.03347	0.7
117.06965	1.6
119.04937	2.8
121.06513	56.1
122.03674	3.4
122.06799	2.2
125.05984	0.9
127.03867	2.8
130.04126	1.6
131.04951	1.4
133.06442	2.0
135.04416	1.1
137.05983	68.1
138.06274	1.3
138.09096	1.4
139.03876	0.9
143.04939	7.0
145.02843	1.6
145.04918	1.6
145.06454	2.5
146.03586	1.7
147.04442	3.9
149.05991	3.1
149.07153	0.5
149.07399	0.5
150.06813	1.3
151.03925	4.5
151.07578	0.9
153.01807	2.6
155.04820	0.7
158.03664	3.0
159.04388	1.8
160.05128	1.0
161.05995	7.2
162.06767	3.9
163.03819	0.8
163.07449	1.0
164.07010	1.0
165.07045	0.9
171.04364	0.8
173.05975	7.4
175.03931	4.1
175.07556	4.1
177.05432	3.5
177.06992	1.5
178.07784	2.2
181.06357	0.7
183.71368	0.6
185.05962	1.5
186.03114	7.3
187.03848	0.8
187.07559	0.8
189.05405	2.5
189.07028	2.4
190.07700	0.6
191.07050	1.4
191.08635	0.8
194.07263	1.6
197.05986	0.6
198.06927	0.7
199.07141	0.7
200.04440	0.7
201.05478	52.7
202.05795	2.5
202.07593	0.9
203.07040	2.7
204.05800	0.8
205.04709	1.9
205.06480	10.2
206.05278	1.2
206.07254	4.4
207.06396	1.4
207.08150	1.5
209.09618	0.9
211.07550	0.8
213.05426	6.1
214.06276	0.7
217.06575	3.4
218.07242	2.7
219.06210	4.1
219.08121	2.7
220.05177	1.1
220.08855	0.8
221.05963	2.2
221.09576	2.1
222.06735	5.0
223.07468	1.7
227.06932	1.9
231.06313	3.3
231.08466	0.9
233.06001	11.4
234.06738	17.6
235.07431	5.4
236.08270	1.7
237.05444	0.7
237.09109	9.7
239.07016	1.2
244.05232	0.7
245.06003	6.0
246.06789	1.8
247.07523	5.5
248.08253	1.8
249.05498	2.1
249.09065	8.8
250.06293	8.5
250.09644	1.0
251.07019	5.4
251.09599	0.7
251.10648	0.7
252.07805	0.6
253.08641	1.2
254.05782	2.7
254.09366	0.7
255.06152	2.5
259.07587	1.5
260.08240	0.6
261.05475	3.5
261.08844	0.9
262.06250	18.4
263.06970	5.4
264.07794	5.9
265.08612	22.2
266.06448	0.6
266.09274	3.7
267.06555	2.0
267.09702	0.9
268.07083	0.8
273.05450	4.8
274.06177	2.7
275.07031	2.4
276.07779	1.9
277.05469	1.5
277.08594	26.7
278.05737	5.0
278.09103	3.2
279.06842	4.4
279.10007	4.9
280.07211	0.9
281.08099	1.6
281.11511	1.1
282.05206	1.7
282.08914	2.6
283.05746	1.3
283.09476	0.7
284.10001	0.8
287.07053	2.7
289.04977	1.7
289.08328	0.8
290.05725	20.0
291.06268	2.4
291.09949	1.6
292.07349	15.8
292.10580	1.4
293.08078	26.6
294.08746	6.8
295.06403	1.3
295.09644	3.6
297.11285	4.4
299.12808	1.4
300.06152	1.0
301.06638	0.6
304.07339	1.9
305.08093	40.1
306.08533	4.3
307.06137	2.8
307.09641	37.8
308.09906	3.6
309.11176	2.8
310.08353	4.0
311.12711	1.4
315.08609	6.5
316.09015	6.6
319.09509	3.3
321.11331	0.9
322.08368	5.1
323.09109	1.4
325.10712	100.0
326.11078	6.5
326.14392	0.9
337.10699	59.8
338.10886	3.6
343.11530	0.8
355.11774	18.4
356.15085	11.9
357.15271	1.4
462.19135	94.8
463.19534	10.2
492.20200	90.3
493.20569	12.1
534.21680	0.8
624.24261	1.9
654.23621	1.9
655.23541	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	654.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
52.47284	0.6
53.03954	2.9
55.01869	1.3
57.03439	1.4
59.05003	0.6
61.02927	1.0
65.03934	1.1
66.04705	0.8
69.03429	6.6
69.45207	1.2
69.45618	2.6
71.04989	2.0
77.03938	0.9
79.05506	1.2
81.03409	2.5
81.07057	0.6
85.02913	10.2
91.05482	13.2
93.07042	10.3
94.04160	3.5
95.05001	3.6
97.02889	5.1
103.05480	12.2
105.03371	0.7
105.04521	1.6
105.07045	3.3
107.04976	1.5
109.02898	2.6
109.06503	1.6
115.05430	3.6
117.03368	0.9
117.07008	0.7
119.04951	4.7
120.05754	2.2
121.06510	61.2
122.03653	6.0
122.06829	0.9
127.03938	1.9
130.04144	1.3
131.04967	3.1
133.02832	1.1
133.06461	3.4
134.03687	0.7
137.05978	81.9
138.06349	2.4
138.09167	1.3
143.04916	6.4
145.02866	2.1
145.04991	0.9
145.06479	3.5
146.03633	1.4
146.85713	0.6
147.04413	4.1
149.06009	2.8
150.06734	1.0
151.03918	4.7
151.07602	0.7
153.01875	1.8
155.04883	0.9
158.03641	2.4
159.04457	1.5
160.05112	1.0
161.05998	9.4
162.06781	4.4
163.03909	1.8
163.07539	5.4
164.07094	1.4
171.04387	1.4
172.05153	1.2
173.05983	7.8
174.06783	1.1
175.03926	4.2
175.07492	3.3
177.05537	5.9
177.06935	1.0
178.07721	0.9
185.06006	1.4
186.03117	5.9
187.03900	0.7
187.07585	1.9
189.05467	4.6
189.07050	2.3
189.09129	2.7
190.07706	0.8
191.07065	1.1
191.08620	1.1
194.07286	1.2
200.04623	0.8
201.05472	50.5
202.05820	2.2
203.07016	6.1
203.08670	0.7
205.04739	1.4
205.06467	7.0
206.07356	3.1
207.06447	3.7
207.08261	1.2
213.05481	5.2
214.06297	0.9
215.07008	3.8
217.06590	3.3
218.07297	2.1
219.06102	3.0
219.08376	3.3
221.06154	1.4
221.09621	1.3
222.06735	4.9
223.07414	1.3
224.24178	0.7
227.07124	1.7
231.06497	2.3
231.08360	1.3
233.05988	10.4
234.06763	14.8
235.07472	5.0
236.08336	1.3
237.09097	8.1
239.07133	1.3
244.05232	0.7
245.06012	4.5
246.06863	1.7
247.07603	4.9
248.05434	0.5
248.08267	2.5
249.05547	2.0
249.09161	7.8
250.06255	8.6
251.07106	4.1
251.10745	0.9
253.08812	0.9
261.05386	3.5
262.06274	14.7
262.08972	1.2
263.06992	6.0
264.07822	5.0
265.08609	21.0
266.09320	4.1
267.06598	2.1
267.10025	1.1
273.05545	4.4
274.06149	2.3
275.07114	1.7
276.07748	2.9
277.05154	1.9
277.08594	21.4
278.05740	5.1
278.08990	2.1
279.06506	3.0
279.10208	5.9
280.07330	1.2
280.10638	0.8
281.08038	0.8
281.11862	1.5
282.08929	2.2
283.09576	1.4
287.06976	2.3
289.05026	1.3
290.05743	17.4
291.06274	2.4
291.10034	1.4
292.07288	9.9
293.08072	26.4
294.08813	4.8
295.06281	1.2
295.09653	2.6
296.10663	0.8
297.11267	4.6
299.12759	1.7
302.04355	1.1
304.07501	2.0
305.08084	39.9
306.08447	4.7
307.06134	2.5
307.09631	34.5
308.09875	3.0
309.07867	1.0
309.11203	5.2
310.08292	3.5
311.09286	0.7
311.12576	3.3
317.06613	2.3
318.06915	0.9
319.09769	4.2
321.11069	1.8
322.08279	6.0
323.08917	0.9
325.10699	69.9
326.10873	2.6
326.14130	9.4
327.14200	1.3
330.02808	0.7
337.10703	51.4
338.10620	3.0
339.12238	4.1
340.15494	7.2
352.15393	2.3
355.11765	15.8
356.14932	2.5
442.16742	0.7
462.19138	75.1
463.19470	9.3
463.25363	1.2
474.19043	1.2
476.20578	3.3
492.20181	100.0
493.20584	11.4
549.03503	0.7
583.14417	0.9
654.23218	4.5
655.23926	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	655.166
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
50.01603	0.1
50.71153	0.1
51.02399	0.2
53.03940	0.3
55.01857	0.1
57.03429	0.2
62.01586	0.2
63.02353	0.8
64.21559	0.1
68.99813	0.1
69.03430	1.0
70.89501	0.2
71.05000	0.2
73.02929	0.1
75.00226	0.1
77.03927	0.1
77.84880	0.1
78.04702	0.7
79.05492	0.1
81.03421	4.2
85.02912	1.1
89.03918	9.3
90.04259	0.2
91.05486	0.7
92.02618	0.1
93.07052	0.2
95.04990	0.2
97.02898	0.1
98.65219	0.1
99.04475	0.4
102.04716	0.1
103.05482	0.3
105.03381	0.1
105.04539	0.1
106.04170	0.5
109.02209	0.1
109.02885	1.2
110.03677	0.3
117.03381	23.8
118.03699	0.6
119.04945	0.2
121.06506	0.4
124.05188	0.2
127.03917	0.3
129.04491	0.1
134.03639	1.9
135.04430	1.7
137.02338	0.9
137.05977	0.1
145.02849	53.0
146.03180	1.6
146.21608	0.1
147.04366	0.1
149.05981	7.7
150.03229	0.1
150.06374	0.2
151.03841	0.1
153.01807	0.9
158.06067	0.2
161.09677	0.1
162.03162	0.3
163.03914	0.7
167.07043	0.1
177.05469	100.0
178.05811	3.1
186.05513	1.0
193.01251	0.1
195.06512	1.0
200.04709	0.3
203.03542	0.1
204.04218	0.3
205.04797	0.2
217.04996	0.1
218.05904	0.1
228.04160	1.2
229.04919	0.7
245.04405	0.5
246.05217	0.1
256.03687	0.3
257.04523	0.6
273.03983	0.3
274.04694	1.9
279.08572	0.1
285.03903	0.5
291.87506	0.1
300.99881	0.1
301.03427	4.6
302.04202	19.6
303.04544	1.0
315.05124	0.1
316.05634	0.1
317.06549	41.2
318.06900	1.9
321.09686	6.7
322.10101	0.2
339.10733	2.6
340.10941	0.2
359.07581	0.1
408.78693	0.1
479.11481	0.2
492.19482	0.1
523.21320	0.1
655.20532	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	655.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01633	0.2
53.03954	0.2
54.67150	0.2
61.30582	0.2
62.01598	0.2
63.02397	0.6
65.03938	0.3
67.05524	0.3
76.00114	0.2
77.88981	0.2
78.04689	0.3
81.03416	0.2
82.14171	0.2
89.03920	6.9
91.05483	1.5
92.05727	0.2
93.07056	0.8
95.04979	0.3
103.05470	1.0
105.03369	0.3
106.04190	0.7
110.90615	0.2
115.05461	0.6
117.03384	21.5
118.03697	0.4
119.04957	0.3
121.06512	4.4
122.03591	0.2
122.06952	0.2
124.05215	0.3
131.04900	0.2
134.03636	1.7
135.04448	1.3
137.05983	1.9
143.04912	0.6
145.02850	46.7
146.03191	1.6
147.04431	0.6
149.05988	6.2
150.06406	0.3
151.03920	0.7
163.03905	0.8
164.07077	0.8
165.05482	0.3
165.07014	0.3
175.07587	0.8
177.05475	100.0
178.05824	3.4
186.05478	1.2
205.05023	0.2
207.08150	0.4
209.08084	0.3
211.07581	0.5
239.68666	0.2
250.14281	0.2
295.20966	0.2
299.12747	0.7
308.12448	0.2
316.15491	0.9
325.10696	0.3
342.13336	1.0
371.11191	0.3
375.93314	0.2
492.20218	6.3
493.20294	0.7
518.17621	0.4
647.89990	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	655.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01849	1.0
60.36674	0.8
61.61649	0.8
65.03938	1.8
67.05493	0.9
70.89021	1.6
79.05479	2.1
81.03433	1.2
81.07069	1.2
89.03926	1.2
91.05491	21.7
93.07064	5.1
94.32178	0.9
95.04993	4.7
103.05473	3.3
105.06954	1.1
107.04977	0.8
115.05458	2.7
119.04939	11.7
119.67761	0.7
121.06519	18.3
135.04393	1.2
136.05191	1.5
137.05983	12.4
142.17337	0.8
143.04955	3.2
145.02892	1.3
145.06566	1.3
145.63857	0.8
147.04385	1.2
149.05949	4.9
151.03972	1.7
151.07550	29.4
157.93959	0.8
158.03622	2.4
160.05174	1.4
161.06006	2.0
163.03922	2.3
165.06926	1.0
168.10167	5.9
173.05972	3.9
175.03853	2.3
175.07509	3.6
176.07106	1.6
177.05472	4.1
177.06976	2.2
178.07834	1.1
184.61667	0.8
186.03163	7.3
194.08203	21.2
201.05467	17.2
203.07042	1.4
205.06473	10.7
219.08037	1.9
221.05980	3.0
222.06708	7.4
224.08371	1.1
226.06114	1.1
227.06821	1.0
233.05977	13.7
234.06715	3.6
235.07491	2.4
237.05428	1.1
237.09082	11.1
239.07011	1.8
247.07460	2.5
249.05495	3.2
250.06247	11.6
251.06932	3.5
254.05746	1.1
255.06711	1.2
255.09969	0.8
261.05417	2.7
262.06168	2.1
263.07077	2.6
264.07800	7.3
265.05014	4.3
265.08591	21.6
266.09045	2.9
267.06467	3.1
267.09479	1.0
275.07056	1.4
276.04428	1.2
277.04932	3.4
278.05704	6.6
279.06647	1.3
279.10159	3.3
280.07336	3.0
282.08838	2.1
291.06549	2.5
292.07324	21.5
293.04468	5.4
293.08054	21.4
294.08490	2.0
295.06113	1.6
295.09357	1.1
297.11203	3.9
299.12805	4.1
302.13849	0.9
307.06036	1.7
307.09650	35.8
308.06842	19.9
308.10052	2.4
309.07050	1.4
310.08255	3.7
319.06149	1.6
323.09113	12.1
325.10709	100.0
326.11029	7.3
336.06143	5.0
351.08636	57.9
352.09073	4.7
462.19135	41.2
463.19421	4.0
488.17490	1.4
518.18054	2.1
655.26172	3.6
656.27411	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	655.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01866	0.8
55.58537	0.8
58.61597	1.1
65.03947	0.8
69.29176	3.8
69.29581	1.7
79.05488	1.5
81.03436	1.5
81.07057	1.6
89.03918	8.8
90.91712	0.7
91.05489	19.1
93.07040	6.4
95.04964	3.5
97.70956	0.8
103.05491	5.7
107.04977	1.9
109.06520	1.0
115.05482	1.4
117.03384	23.6
119.04961	11.0
121.05639	1.7
121.06512	29.9
122.06845	1.0
123.04411	1.2
131.04968	1.5
133.02835	3.9
133.06494	1.4
134.03633	1.5
135.04413	3.1
136.05228	1.9
136.07613	1.7
137.05991	17.8
138.09154	5.0
143.04897	0.9
145.02853	53.4
146.03200	1.4
146.06064	0.8
147.04396	4.2
149.05994	15.5
150.06815	4.0
151.03923	2.4
151.07530	11.9
159.04437	1.3
161.06004	2.5
163.03941	1.7
164.04700	1.2
164.07068	2.9
173.05957	3.2
175.03955	7.5
175.07576	2.1
177.05478	100.0
178.05765	3.9
186.03186	5.0
186.05438	1.3
187.03935	3.2
188.59999	0.8
189.06999	1.4
194.08076	3.4
201.05478	13.9
204.05788	1.1
205.04973	1.1
205.06534	7.6
206.07259	2.1
207.08128	1.0
219.08017	2.0
220.05135	1.5
221.05988	2.9
222.06746	4.8
233.05991	10.1
234.06720	3.2
235.07509	2.7
236.08260	1.1
237.05513	1.1
237.09065	6.0
239.06935	2.6
247.07356	1.6
248.04686	1.2
249.05508	4.5
250.06229	7.8
250.20720	0.8
251.07008	2.3
254.09494	0.9
261.05469	2.0
262.06290	0.9
263.07077	4.7
264.07758	5.1
265.05011	8.1
265.08585	14.3
266.09259	1.5
267.06506	2.4
272.12775	1.2
275.07050	1.1
277.05032	3.4
278.05798	4.4
279.06400	1.6
279.10132	1.4
280.07327	2.9
281.08182	1.2
282.08801	5.8
291.06534	2.3
291.31372	0.8
292.07291	14.0
293.04474	9.6
293.08075	14.9
294.08466	1.1
294.14944	0.8
295.05972	2.6
295.09464	1.7
297.11166	2.9
299.12823	2.4
304.03531	1.0
307.09625	24.6
308.06796	53.9
308.09634	2.2
309.07285	3.8
310.08246	3.5
319.06021	2.6
323.09116	8.4
325.10715	88.4
326.11038	8.1
336.06302	2.6
342.13397	2.5
351.08630	66.0
352.08948	4.6
368.11337	3.8
387.14441	1.6
462.19040	3.2
479.21857	6.8
488.17065	17.6
489.16983	1.6
492.20184	10.5
493.20187	1.2
518.18201	7.6
655.26080	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	655.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
56.77471	0.3
65.03924	0.7
67.05502	0.5
77.03937	0.4
79.05473	0.5
81.03409	0.8
88.62675	0.3
91.05483	12.7
92.05790	0.5
93.06487	0.4
93.07050	7.9
94.80850	0.3
95.04974	3.2
103.05469	6.5
105.04501	0.8
105.07046	0.4
107.04917	0.5
109.10133	0.5
115.05434	0.7
117.03372	0.4
119.04949	5.2
121.06508	49.8
122.06808	1.3
123.04419	0.3
125.05962	0.5
133.02805	0.4
135.04430	0.4
136.05147	0.7
137.05940	1.1
141.03343	2.9
143.04897	0.4
145.02802	0.9
146.05945	0.4
147.04402	0.5
147.08104	0.3
149.05965	1.0
151.03870	0.6
151.07550	9.9
152.07828	0.5
162.02991	0.4
163.03760	0.3
163.07550	0.6
164.07068	1.8
173.06062	0.6
174.06686	0.4
177.05466	2.4
177.06909	0.5
186.03185	0.6
191.07043	4.7
194.08221	2.3
201.05371	66.1
202.05679	2.9
205.06454	1.8
207.08038	0.6
211.07492	0.4
219.08070	0.9
220.05167	6.2
221.05942	1.3
222.06769	1.6
224.08356	0.3
230.27469	0.4
232.05145	0.3
233.05893	1.1
234.06874	1.6
235.07547	18.2
236.07916	1.0
237.05411	1.3
237.09114	7.7
238.09444	0.6
239.06976	0.9
244.06021	2.1
247.07547	1.2
248.04680	5.9
249.05461	3.0
250.06177	2.1
251.06989	0.6
252.07753	0.8
263.07034	22.3
264.07645	2.8
265.04968	4.8
265.08575	13.7
266.09167	1.5
267.06476	1.3
267.15784	0.4
276.04218	0.5
278.66263	0.3
279.06384	0.4
279.83948	0.3
280.07315	8.7
281.07608	0.6
282.08859	17.8
283.09241	0.7
291.06512	12.8
292.06839	1.3
293.04581	0.3
293.08075	0.3
295.09592	1.5
297.11237	7.8
298.11340	0.5
299.09207	1.1
303.04858	0.6
308.06784	3.1
309.07153	0.5
312.06323	0.4
313.10730	3.7
314.13998	0.4
317.06451	0.4
323.09134	100.0
324.09470	6.7
325.10489	0.4
327.08636	1.4
351.08615	0.6
364.11783	13.6
365.12137	1.2
369.09665	0.4
394.12738	1.2
424.12030	0.3
460.17551	9.9
461.17874	0.9
488.17038	62.1
489.17322	6.7
490.18594	18.2
491.18729	2.3
518.18134	6.1
519.18286	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	655.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	2.2
69.24717	1.5
71.30832	1.7
71.31258	2.2
75.16711	1.7
93.07053	2.5
104.48620	1.6
175.08182	1.9
253.56871	1.8
301.37759	1.7
405.17014	2.5
407.22443	4.4
419.18637	5.9
433.20236	5.5
434.21091	5.5
434.69922	1.9
435.21948	7.4
450.90546	2.0
462.20340	4.1
463.21234	4.8
521.25983	8.4
522.25757	2.6
549.25012	18.9
550.25806	2.0
563.26501	2.4
586.86017	1.9
595.28961	7.5
609.26947	11.3
655.31128	100.0
656.31494	17.2
656.89069	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	656.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
53.03938	0.9
55.01861	0.2
57.71927	0.1
70.66584	0.4
71.95055	0.1
77.03920	0.3
79.20467	0.1
81.03445	0.3
82.83827	0.2
91.05479	3.4
93.07049	5.2
95.04977	1.0
103.05474	4.2
105.04530	0.5
121.06508	100.0
122.06028	0.3
122.06848	3.2
138.09143	26.9
139.09494	0.7
173.43883	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	656.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29020	2.9
55.01879	4.6
55.05516	21.3
57.03428	3.3
60.91122	3.3
62.52838	2.6
66.92018	2.8
67.05508	23.4
69.03427	3.9
69.07075	8.0
69.49025	13.3
79.05499	26.6
81.03424	4.2
81.07048	15.8
83.05002	3.6
83.08629	17.3
90.39170	2.5
91.05475	23.2
93.07055	9.7
95.04964	2.5
95.08617	8.2
97.10179	24.8
103.05474	9.7
104.18279	2.7
105.07039	14.7
107.04977	3.5
107.08601	14.1
109.06530	3.2
109.10147	5.9
111.08130	3.4
115.05448	5.1
117.07026	29.6
119.08592	10.7
121.10141	3.4
125.09631	23.0
128.06224	3.1
129.07021	16.3
131.08578	21.0
133.06494	6.8
135.08089	5.9
137.06079	2.8
141.07050	3.6
143.04987	3.3
143.08560	6.5
145.06500	9.5
145.10127	6.3
147.04453	3.8
149.09612	5.1
155.08572	6.7
156.09473	3.5
159.08006	3.8
169.10118	5.1
171.08133	4.0
171.11737	3.9
175.91853	3.2
187.14874	6.6
189.11267	11.3
197.13301	5.3
213.12796	4.0
215.14304	34.9
227.12772	25.8
235.15311	3.1
245.70689	3.4
367.22592	14.5
385.23703	9.0
403.25073	5.2
441.26358	48.4
442.26752	7.0
459.27411	100.0
460.27567	12.2
477.28296	9.8
659.58160	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.5
57.03438	2.5
57.07073	18.3
59.05010	4.9
64.53012	2.1
65.31035	1.9
67.05505	100.0
68.05865	2.7
69.07076	5.5
70.33487	2.4
71.08633	14.5
79.05497	5.2
81.07056	21.3
83.08626	11.3
85.10180	4.8
91.05477	7.9
93.07035	4.0
95.08607	12.7
97.10161	2.8
98.23471	4.7
100.07594	2.8
107.08588	2.5
109.06486	2.2
109.10156	83.9
110.10476	5.0
119.08579	4.1
120.95170	2.1
137.05963	6.1
137.09697	3.1
173.11749	20.4
229.45166	2.5
287.22977	2.5
383.24268	75.2
384.24466	4.7
467.37302	92.7
468.37466	8.9
497.63043	2.5
589.44141	2.8
635.37152	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	38.6
57.07074	51.7
65.99503	10.0
67.05518	54.7
69.03440	13.4
69.07075	20.5
69.54903	38.6
71.08627	19.4
79.05506	41.5
81.07065	83.6
83.08632	27.7
88.74859	9.0
91.05473	21.0
93.07060	40.0
94.08247	9.2
95.04986	11.4
95.08630	27.7
97.10180	31.9
105.07048	22.7
107.04920	12.5
107.08591	24.3
109.06535	10.7
109.10185	32.6
111.08122	9.7
117.07059	10.4
119.08585	20.4
121.10168	11.7
123.08116	20.5
125.09652	17.3
133.10121	18.6
135.11685	14.7
145.10161	10.1
161.09630	13.2
163.11194	10.7
163.42810	9.3
178.43929	9.5
189.11276	22.9
190.54123	10.9
227.12839	24.0
273.18475	32.0
291.19498	88.3
313.27423	100.0
336.13251	11.1
365.23193	25.2
397.97278	9.6
603.46173	16.5
621.46844	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	657.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	0.9
69.00181	7.2
79.05515	1.4
81.03429	2.7
85.02917	1.0
88.23940	0.7
89.03932	2.0
91.05504	1.7
94.04291	0.8
95.04985	0.9
100.98408	0.7
108.05264	0.8
109.06615	0.8
115.05499	1.1
117.03405	3.4
121.06539	4.9
123.04443	0.7
135.08131	0.9
137.05980	4.0
143.03392	0.9
145.02852	5.8
147.04468	1.2
149.06055	1.2
151.03969	2.4
151.07585	0.9
153.01880	5.7
161.05975	1.2
163.03804	1.5
163.07579	0.8
165.09163	1.0
167.07047	3.5
168.07596	0.8
175.07503	1.0
177.05476	15.2
181.05011	9.6
182.38260	0.8
187.03766	2.1
189.05469	1.1
191.06993	0.8
193.05067	1.6
201.05553	3.1
203.05313	1.4
205.04892	1.2
219.06563	1.6
221.08118	3.0
233.08171	1.2
235.07509	1.2
237.09050	0.9
243.06403	1.0
249.07646	1.3
253.08406	1.0
254.25407	1.0
257.04257	2.8
259.05765	2.3
263.07147	1.0
265.08734	2.0
282.08896	1.7
283.09619	1.1
284.06702	1.1
297.11340	1.6
313.06845	1.2
313.10608	0.8
323.09232	3.8
323.26096	0.8
331.07916	1.8
345.09564	3.9
349.08862	1.0
403.13879	1.3
460.17651	2.7
477.05984	0.6
477.11575	36.7
478.12140	3.1
495.12656	44.1
496.12891	4.0
502.14893	2.3
600.36316	0.9
627.20844	2.4
657.17853	100.0
658.18225	12.6
682.44379	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	657.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01909	0.3
52.73880	0.3
53.03939	0.5
67.05496	0.4
68.99796	0.7
69.03424	1.1
71.30598	0.5
79.05503	1.0
81.03416	0.8
85.02892	1.6
89.03928	0.5
91.05490	3.5
93.07048	0.8
95.04974	0.7
97.02884	0.6
102.04686	2.9
103.05474	1.0
105.03365	0.6
105.07021	0.7
107.04970	0.8
107.08571	0.5
109.02881	0.7
110.03636	0.7
111.00833	0.4
111.04469	0.4
115.05457	0.5
116.12356	0.3
117.03405	1.8
119.04951	3.2
121.06537	2.1
121.10119	0.6
123.04456	0.6
124.05213	2.0
125.06042	0.3
127.03928	0.6
129.15604	0.3
130.04156	6.0
131.04953	3.1
132.05681	0.6
133.02852	0.4
133.06523	0.9
135.04411	1.8
137.02412	0.4
137.05986	4.8
145.02856	3.1
145.06537	0.6
146.03659	1.6
147.04422	8.9
148.05165	1.7
149.05986	1.0
150.06773	2.7
151.03903	0.9
151.07567	1.4
153.01826	3.0
154.73819	0.3
159.04414	0.4
161.05983	2.5
162.06769	16.7
163.03967	0.5
163.07405	0.5
167.07092	1.0
169.49080	0.3
171.04453	0.5
177.05470	4.8
178.05879	0.8
181.05023	0.6
185.06290	0.4
187.03958	1.1
191.03516	0.5
197.05963	0.4
201.05458	0.7
203.03412	0.6
213.05550	1.0
216.04193	0.6
217.04959	2.0
227.03113	0.4
228.04161	1.0
229.04944	1.0
231.06500	0.6
241.05000	2.5
242.05666	0.4
243.02980	0.6
243.06604	0.6
244.03682	3.2
245.04408	2.2
253.04874	0.4
256.03616	0.5
257.04431	3.5
259.06046	3.5
260.06409	0.4
269.04517	1.8
271.06070	1.5
273.03976	1.7
274.04550	0.4
283.05954	0.7
284.03098	0.4
285.03949	1.9
286.04718	0.9
287.05478	15.4
288.05786	0.8
299.05499	0.8
301.03424	6.0
302.04169	2.6
311.05359	0.5
313.03452	5.5
314.04001	0.8
315.05008	4.0
316.05710	3.7
317.06531	2.8
327.04993	3.0
330.13361	0.6
339.08627	0.5
341.06479	0.5
343.04456	3.3
353.06604	3.6
354.07010	0.4
357.06522	0.7
371.07626	2.4
384.80350	0.4
385.07178	0.5
401.06567	0.4
402.07275	0.4
403.07828	0.5
413.06628	0.6
414.07355	0.6
417.10202	0.4
430.06851	0.9
433.09369	0.6
445.09189	4.5
447.06824	0.6
461.08478	0.7
462.09521	1.5
465.11938	2.9
476.17014	0.5
477.11807	7.3
478.12390	0.7
481.19885	0.5
495.12854	100.0
496.13153	10.3
565.22943	0.4
586.77905	0.4
657.18109	0.7
657.29449	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	657.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.6
52.79326	0.8
52.85294	0.8
53.03944	5.7
55.01880	13.7
55.05514	49.1
56.05864	1.5
57.03442	7.2
57.07080	2.5
58.77141	0.9
59.28558	0.8
65.03960	3.0
67.05507	59.8
68.05846	1.2
69.03436	8.6
69.07071	38.4
71.04999	6.0
79.05497	69.8
80.05824	1.5
81.03427	9.4
81.07060	100.0
82.07406	2.9
83.04987	15.0
83.08620	28.1
85.02924	3.5
85.06557	3.3
86.09705	1.2
91.05487	48.7
92.05840	1.7
93.07047	46.5
94.04204	1.4
94.07397	1.1
95.01300	1.5
95.04977	42.7
95.08611	31.8
95.09236	1.3
96.08957	1.3
97.02893	7.6
97.06538	11.5
97.10179	16.8
97.10764	1.5
99.04465	4.9
99.08092	1.5
103.05479	2.3
105.04503	1.9
105.07036	41.5
107.04961	19.2
107.08601	34.4
109.06525	39.9
109.10156	16.1
111.04453	11.1
111.08085	7.6
115.05467	3.6
116.06248	1.4
117.07021	16.6
119.04927	1.1
119.08585	31.4
120.08931	2.2
121.06512	9.6
121.10146	20.6
123.04478	2.1
123.08068	9.1
123.11706	4.6
124.78276	0.9
125.05981	1.5
125.09627	12.6
127.07555	1.0
128.06247	2.7
129.05545	1.0
129.07010	9.7
130.07800	1.3
131.08577	21.8
132.05751	1.1
132.08939	1.3
133.06480	6.0
133.10138	17.9
134.07350	1.0
135.08052	8.8
135.11682	8.3
137.09612	5.1
139.07516	1.0
139.11241	2.8
141.07028	1.7
142.07849	1.9
143.08560	8.8
145.06516	3.0
145.10130	20.8
146.10464	1.1
147.08070	10.9
147.11688	14.2
149.09619	16.5
149.13292	3.9
151.11188	4.0
153.09106	1.6
153.12720	1.2
154.07755	1.2
155.08601	3.0
157.06593	1.0
157.10129	9.4
159.08116	2.5
159.11694	10.6
160.11949	1.2
161.09633	9.4
161.13234	5.8
163.11195	17.9
163.14948	1.7
165.09209	2.1
165.12794	3.9
169.10201	3.4
170.94463	0.8
171.08127	1.3
171.10316	1.6
171.11743	4.9
173.09637	3.6
173.11946	1.2
173.13199	4.6
175.11156	5.3
175.14905	1.6
177.12811	5.4
177.40651	1.1
179.10706	1.5
179.14319	1.4
181.10187	1.1
181.12233	1.1
183.11769	2.7
184.07431	1.5
185.13327	2.5
187.11270	3.2
187.14885	1.4
189.11292	6.9
189.12756	1.8
191.10675	2.5
191.14362	1.9
193.12340	2.2
195.13850	1.0
197.13274	1.8
199.11337	1.4
201.12828	1.4
203.14301	1.2
205.12202	4.6
209.13347	1.1
211.14996	1.5
213.16508	1.0
219.13878	1.3
223.13297	33.0
227.12885	3.4
227.18047	1.3
229.19498	2.2
239.18129	2.6
241.19492	2.3
245.19058	2.9
247.20659	3.6
249.15042	3.3
255.17502	3.7
257.19064	8.5
259.20657	3.5
260.23810	0.9
263.20203	1.2
273.18509	25.3
274.19019	1.7
275.20074	41.9
276.20465	2.8
289.18121	1.8
291.19559	79.5
292.19910	5.0
293.21130	14.4
301.21603	1.1
333.24213	1.5
347.22098	9.9
349.23734	15.7
350.24426	1.3
360.47162	1.0
363.21713	1.3
365.23306	10.6
367.24884	3.1
454.56381	1.0
529.35437	1.2
547.38538	1.2
621.41431	3.5
639.42523	18.2
640.42651	3.1
657.43591	62.6
658.43799	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	657.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99044	0.7
51.02396	1.0
53.03955	5.2
55.01876	13.4
55.05515	39.2
57.03438	6.4
57.07085	2.3
65.03935	4.1
67.05508	63.8
68.05858	1.2
69.03430	9.5
69.07070	40.8
71.04427	0.8
71.05019	4.9
73.02894	0.8
77.03927	1.4
79.05495	61.8
80.05848	1.0
81.03426	9.8
81.07059	100.0
82.07403	2.5
83.04990	10.0
83.08622	20.1
85.02904	1.3
85.06563	3.4
91.05484	49.0
91.96355	0.7
93.07050	50.8
94.04262	0.8
94.07381	1.2
95.01352	1.8
95.04971	21.7
95.05544	1.1
95.08607	36.4
96.08968	1.3
97.02886	7.6
97.06537	14.3
97.10179	14.4
99.04466	1.3
99.08099	2.4
103.05490	2.0
105.03387	1.1
105.04515	1.7
105.07034	42.8
106.07382	1.1
107.04968	17.4
107.08597	30.2
108.08977	1.1
109.06526	23.8
109.07246	1.5
109.10155	18.0
111.04436	3.7
111.08074	7.5
111.08638	0.7
113.06059	1.0
115.05479	2.7
116.06284	1.0
117.07026	16.1
119.04964	1.7
119.08587	33.0
120.08945	1.2
121.06516	7.0
121.10147	17.3
122.10476	0.9
123.04455	2.6
123.08078	8.8
123.11713	6.4
125.09633	11.8
125.10418	1.0
128.06267	2.2
129.07028	6.7
130.07800	1.7
131.05019	1.1
131.08574	19.7
131.09480	1.3
133.06502	5.6
133.10136	20.0
134.07291	1.5
134.10480	1.4
135.08064	9.5
135.11681	7.8
137.09605	5.5
137.13316	0.9
139.11171	1.8
141.07072	1.2
142.07784	1.0
143.08588	6.4
145.06540	2.8
145.10138	16.8
147.08072	8.4
147.11685	17.3
147.12733	1.1
149.09624	11.5
149.13258	7.8
151.07611	1.6
151.11253	3.4
153.09172	1.1
153.12819	0.9
155.08580	1.9
157.10138	7.0
159.08093	3.1
159.11700	10.7
161.09662	5.9
161.13286	4.8
162.10338	1.0
163.11192	10.6
163.14880	1.9
164.11639	0.9
165.09210	2.1
165.12779	4.4
167.08530	1.1
167.10756	1.1
169.10187	1.2
169.12309	1.1
171.10274	1.1
171.11761	5.1
173.09726	2.7
173.11942	1.1
173.13322	3.5
175.11229	8.5
175.14851	1.6
177.12793	4.5
179.10718	1.9
179.14333	1.4
181.10078	1.6
183.11772	2.4
185.13329	2.2
187.11278	2.3
187.14948	2.1
189.11264	4.1
189.12891	2.5
191.14348	1.3
193.12286	2.5
195.11884	1.6
195.13789	1.7
197.13396	1.7
199.15015	1.7
201.12796	1.8
205.12334	2.9
209.13358	1.2
211.14986	0.9
213.16486	1.2
215.18161	0.9
217.12488	0.9
217.14452	2.4
219.13803	1.1
223.13268	18.3
227.12732	4.7
229.19659	2.2
231.17599	0.9
233.19237	0.9
239.18083	1.9
245.19151	3.6
247.20651	3.4
249.14978	2.3
253.14487	1.7
255.17538	1.8
257.18954	3.9
263.20181	1.7
267.16049	3.0
273.18463	20.9
274.18951	1.3
275.20050	40.5
276.20523	3.8
291.19550	80.0
292.19870	6.5
293.21085	8.7
293.23959	0.8
309.20850	1.4
335.25916	3.0
347.22311	4.5
349.23746	12.9
349.27811	1.0
350.24359	1.2
365.23224	12.5
366.23682	1.0
367.24982	2.2
477.36011	0.9
541.35388	1.3
559.36664	1.6
621.41559	2.0
639.42529	25.0
640.42590	4.9
657.43579	44.8
658.43915	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	657.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38349	1.1
51.02390	2.1
53.03944	7.0
55.01601	0.9
55.01876	21.0
55.05513	55.5
55.54215	0.9
57.03442	7.6
57.07079	4.4
58.06586	1.1
59.05001	2.9
65.03941	5.5
67.05507	62.3
68.05850	1.2
69.03437	5.4
69.07072	28.1
70.06597	8.7
71.04987	6.7
71.08646	1.6
74.68284	0.8
77.03922	1.5
79.05495	68.8
81.03423	14.3
81.07059	100.0
82.07410	2.7
83.04980	25.9
83.08620	38.1
85.02905	6.8
85.06557	3.6
88.07620	10.9
91.05482	56.6
92.05813	1.2
93.03416	1.0
93.07047	53.5
94.07362	2.4
95.01326	1.3
95.04971	66.4
95.08607	28.5
96.08978	1.0
97.02892	1.1
97.06534	12.2
97.10172	16.6
98.22559	2.0
99.04478	7.2
99.08112	2.9
102.09184	8.9
103.05502	2.5
104.11976	1.0
105.03381	1.3
105.04549	2.4
105.07034	44.4
106.07346	1.3
107.04952	23.2
107.05611	1.7
107.08595	38.7
108.08989	1.2
109.06518	18.7
109.07232	1.1
109.10162	18.4
110.06929	1.2
111.04445	24.0
111.08080	11.4
115.05456	4.3
117.07015	22.3
117.07826	1.1
119.04932	2.3
119.08583	39.5
121.06509	14.3
121.07233	1.1
121.10149	23.8
123.04449	2.3
123.08073	19.3
123.11697	4.7
125.06004	1.6
125.09637	14.7
126.68540	1.1
128.06245	4.2
129.07016	13.0
130.07814	1.8
131.04958	1.5
131.08580	24.3
133.06477	4.5
133.10139	18.6
135.08043	10.1
135.11699	12.2
137.06013	1.2
137.09627	7.8
137.13254	1.5
139.07571	1.1
139.11211	2.6
141.07071	2.9
142.07814	2.1
143.08540	9.8
145.06471	5.0
145.10129	31.2
147.08060	15.8
147.11678	10.1
149.02348	24.3
149.09624	24.3
149.13292	2.9
150.09975	1.2
151.07536	1.2
151.11259	2.1
153.09160	2.9
153.12747	9.2
155.08551	5.7
157.10117	8.8
159.08078	5.8
159.11697	12.9
161.09627	14.4
161.13284	5.3
163.11179	33.1
163.12471	2.0
164.11531	1.6
165.09151	4.4
165.12773	3.5
167.08571	1.4
169.10094	4.9
171.10242	2.7
171.11749	6.5
173.09586	4.7
173.11833	2.0
173.13301	5.1
175.11185	6.2
176.11441	1.0
177.12738	4.6
179.10747	1.7
181.10071	2.3
181.12248	5.9
182.10855	0.9
183.11768	4.0
185.13312	3.9
187.11169	5.0
187.14870	1.5
189.09453	1.5
189.11223	13.2
189.12805	2.2
189.16470	1.4
191.10678	4.5
191.14395	1.9
193.04967	23.0
193.12273	2.5
195.11687	1.4
197.13335	3.0
199.11253	1.0
199.14821	1.8
203.14403	2.0
205.12253	6.3
207.13936	1.3
209.11719	1.5
211.13281	1.6
211.15096	1.3
213.16411	1.9
215.14452	1.6
217.15825	1.4
219.06584	1.1
223.13293	37.2
224.13680	2.7
227.12730	8.1
227.17937	3.1
229.19606	2.3
231.17316	2.0
237.07616	7.2
237.16460	2.1
239.18069	3.1
245.19025	5.8
247.20700	1.8
249.14955	2.1
255.17384	4.5
256.26352	25.5
256.28867	1.4
257.19073	5.3
263.20148	1.7
273.18491	45.5
274.18945	3.6
275.20074	46.1
276.20468	3.5
291.19543	48.5
292.19974	4.0
293.21106	19.5
294.21664	1.1
297.04111	1.7
309.20593	1.8
313.07104	1.8
329.21130	3.6
331.22836	1.7
341.06473	5.3
347.22137	16.5
348.22382	1.8
349.23758	15.0
350.24231	1.2
359.07681	2.9
365.23233	10.1
366.23740	1.1
367.24713	6.2
385.09174	9.1
429.11856	14.9
457.34488	1.1
529.35638	1.7
547.37982	1.9
565.39038	1.3
583.39594	1.5
621.41675	3.1
639.42682	17.2
640.42944	4.0
657.43597	42.2
658.35608	48.4
658.43622	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	657.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.00303	0.4
53.03950	4.2
55.01601	0.5
55.01872	12.4
55.05511	28.5
56.05838	0.7
56.90221	0.4
57.03434	4.4
57.07065	1.6
59.05009	0.9
65.03936	4.3
66.04734	0.7
67.05505	36.1
68.05837	1.2
69.03426	3.3
69.07066	13.9
70.06589	0.7
71.05002	4.7
71.08617	0.7
77.03917	1.1
79.05492	56.3
80.05826	1.8
81.03416	6.1
81.07055	100.0
82.07387	2.4
83.04982	15.6
83.08618	19.6
85.02902	9.1
85.06554	2.7
87.04480	0.6
88.07613	0.6
91.05481	34.1
92.05822	0.7
93.03375	0.5
93.07040	36.3
94.07386	1.0
95.04966	35.2
95.08604	18.2
96.05312	1.1
96.08959	0.6
97.02883	1.0
97.06536	6.9
97.10171	12.2
98.22581	1.6
99.04470	5.9
99.08090	1.7
103.05463	1.4
105.04527	1.6
105.07027	26.9
106.07357	1.2
107.04416	0.3
107.04958	13.8
107.08594	23.3
108.08926	0.7
109.06516	44.0
109.10155	8.9
110.06870	1.1
111.04445	20.0
111.08071	7.3
113.06020	0.8
115.05465	2.5
116.06288	0.7
116.39122	0.5
117.07018	15.5
119.04945	1.0
119.08577	33.3
120.08949	2.0
121.06507	10.7
121.07361	0.8
121.10139	17.8
122.10442	0.9
123.04446	0.7
123.08068	9.2
123.11722	2.2
125.05994	1.6
125.09634	9.3
128.06195	2.6
129.05505	1.0
129.07016	7.6
130.07793	2.0
131.04915	0.5
131.08563	16.0
132.05731	0.6
133.06517	3.6
133.07375	0.6
133.10127	10.8
134.10461	1.1
135.08047	8.9
135.11687	8.4
137.05978	0.7
137.09633	4.7
139.07536	1.0
139.11180	1.5
141.06982	1.1
142.07822	0.9
143.08559	7.0
145.06528	2.4
145.10118	23.8
146.10449	0.8
147.08049	13.7
147.11703	6.5
149.02370	1.1
149.09610	15.3
149.13292	2.2
151.11188	1.5
153.09120	1.6
153.12758	4.4
154.07646	0.5
155.06062	0.7
155.08563	1.7
157.10130	6.6
159.08044	3.2
159.11705	10.2
160.12079	0.6
161.09625	9.4
161.13264	1.8
162.10033	0.5
163.11174	18.3
163.14861	0.7
164.11574	0.9
165.09117	6.1
165.12766	3.0
167.08623	0.8
167.10635	0.6
169.10190	3.0
171.10306	1.0
171.11667	4.3
173.09555	2.9
173.11827	1.1
173.13275	1.9
175.11180	3.3
175.14893	0.8
177.09093	0.8
177.12753	1.8
181.10265	1.0
181.12247	4.3
183.10117	1.5
183.11699	2.0
185.13208	2.3
187.11203	2.4
187.14815	1.0
189.11221	8.6
189.12753	1.2
191.10663	3.8
191.14375	1.0
193.04964	1.2
193.12340	1.3
195.11650	1.0
197.13341	1.2
199.11313	1.3
199.14793	0.7
201.12593	0.7
205.12257	2.9
205.15901	0.5
207.13782	0.9
209.11674	1.1
209.13478	0.6
211.14917	1.3
213.12791	1.4
213.16275	0.9
223.13287	21.8
224.13614	1.3
227.12764	4.1
227.17944	1.8
229.19582	1.0
231.13612	0.5
237.07582	0.9
237.16478	1.0
239.18022	1.8
245.18953	2.9
247.20665	1.5
249.14854	5.4
255.17445	4.0
256.26498	1.5
257.18991	4.3
258.19418	0.6
267.15933	0.6
272.14890	0.5
273.18478	32.8
274.18738	3.1
275.20047	28.7
276.20398	2.3
279.16119	0.5
283.15182	0.6
290.12390	0.5
291.19537	94.0
292.19882	6.5
293.21085	9.8
294.21603	1.1
309.20645	2.1
329.21475	1.0
331.22476	0.8
347.22180	10.9
349.23703	12.4
350.23904	1.2
365.23288	7.6
367.24808	2.7
385.09305	0.7
429.12027	0.9
529.36688	0.6
576.79700	0.5
621.41492	2.0
639.42401	10.6
640.42731	1.8
657.43579	22.7
658.35327	2.0
658.44934	3.3
665.25372	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	657.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03951	5.8
55.01870	6.4
55.05241	1.4
55.05514	27.8
55.27962	0.7
57.03442	8.8
57.07073	3.5
57.35012	0.7
59.05007	2.0
63.08825	0.9
65.03945	4.8
67.05509	64.6
68.05844	1.0
69.03434	2.6
69.07072	24.8
71.04997	33.1
71.08635	0.9
72.05334	0.9
73.06570	0.9
77.03934	1.8
79.05496	62.6
80.05842	1.7
81.03424	6.0
81.07061	100.0
82.07399	2.6
83.04991	8.2
83.08624	13.6
85.06542	5.2
87.04475	1.6
89.06037	8.9
91.05486	75.7
92.05816	1.9
93.07049	60.8
94.04184	1.1
94.07368	2.3
95.04974	14.1
95.08611	45.1
95.49477	0.9
96.08965	1.6
97.06535	13.6
97.10181	3.6
99.04453	1.4
99.08098	5.4
99.51552	0.8
103.05494	2.7
105.04532	2.6
105.07036	74.2
106.07353	2.4
107.04957	10.3
107.08600	35.8
108.08961	1.3
109.06522	19.1
109.10161	18.2
110.20709	0.7
111.04444	14.1
111.08093	5.4
113.06010	0.8
113.09651	4.1
115.05466	2.8
116.06317	0.9
117.07021	21.1
117.50800	0.9
118.07352	0.9
119.08588	54.9
120.08906	1.7
121.06513	8.1
121.10143	23.5
123.08079	11.6
123.11707	6.5
125.06013	1.4
125.09650	4.9
127.07561	1.1
128.06259	2.8
129.05484	1.6
129.06999	9.9
129.83324	0.8
130.07762	1.6
131.08575	30.4
132.08920	0.9
133.06511	1.8
133.08672	4.7
133.10139	42.7
134.10480	2.2
135.08086	6.1
135.11699	16.4
137.09604	6.8
137.13269	1.3
139.11172	2.0
141.06995	2.4
142.07779	2.2
143.08562	8.6
145.06467	1.5
145.10129	27.6
145.11269	1.7
147.08054	2.7
147.11688	37.8
148.12010	1.8
149.09625	11.6
149.13263	10.6
151.11180	5.6
155.08574	2.8
156.09369	1.5
157.10127	11.2
157.90576	0.8
159.08061	1.6
159.11702	21.0
160.12143	0.9
161.09727	1.9
161.13268	23.8
163.11188	7.2
163.14865	3.8
163.16269	0.8
165.12759	5.6
165.99916	0.9
167.10701	1.1
168.09302	1.1
169.10196	3.8
171.11708	13.9
173.09668	1.2
173.13248	13.6
175.11195	4.1
175.14839	11.1
177.11302	1.8
177.12767	4.1
179.10770	1.2
179.14345	2.3
183.11658	4.2
185.13266	9.1
187.11180	2.7
187.14816	5.3
189.12801	2.6
189.16409	1.9
191.14380	2.5
193.12283	1.1
195.11835	1.5
195.13814	1.1
197.13289	2.3
199.11261	1.4
199.14836	5.4
201.12933	1.2
201.16446	1.4
203.14355	1.7
203.18044	1.1
205.15733	0.9
207.13786	0.9
209.13213	1.1
211.14886	1.4
213.16412	3.2
215.17921	1.9
217.15900	1.4
217.19548	2.1
223.15070	0.9
229.19504	3.4
231.17383	1.2
231.21133	5.2
239.17992	3.8
241.19545	21.1
242.20129	1.6
247.20610	3.3
255.17586	1.1
257.18970	10.1
259.20581	41.2
260.20935	3.4
267.15970	1.5
268.16327	1.0
273.18506	3.1
275.20084	39.5
276.20499	3.0
277.21689	5.0
279.23633	0.9
289.21661	2.5
291.19476	4.1
293.21060	2.0
297.21997	1.4
307.22708	20.5
308.22983	1.2
311.26022	0.9
313.21555	1.4
315.23285	7.2
331.22702	1.9
333.24255	51.1
334.24640	3.8
341.28531	1.5
349.23721	8.8
351.25616	2.2
355.26266	0.9
365.23141	1.6
381.26355	19.8
382.26657	1.7
497.36896	1.1
501.35666	3.6
515.38141	2.5
533.39783	2.7
551.40674	1.5
607.43469	9.5
625.44672	7.6
626.45001	1.2
639.46399	6.0
657.46655	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	657.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12053	1.7
53.03946	6.1
55.01873	10.7
55.05512	40.6
57.03446	11.1
57.07069	4.3
65.03942	5.2
67.05505	81.6
68.05851	2.6
69.03446	5.0
69.07070	27.3
71.04984	14.0
71.08642	4.5
79.05139	1.1
79.05494	73.6
81.03419	6.2
81.07058	100.0
82.07357	2.0
83.04984	8.5
83.08620	28.7
85.06548	5.3
89.06033	12.6
91.05484	74.8
93.07047	67.0
95.04972	21.1
95.08610	53.9
97.06512	12.1
97.10176	5.7
98.98533	2.0
99.08105	5.2
103.05488	2.5
105.04557	1.8
105.07033	79.2
107.04951	15.8
107.08599	46.0
109.06528	18.8
109.10167	22.2
111.04456	5.7
111.08127	7.0
113.09626	3.0
115.05413	2.4
117.07025	25.5
119.08586	70.5
121.06498	8.8
121.10142	32.7
123.08070	10.1
123.11720	7.2
125.09642	7.9
127.07631	2.0
128.06201	3.8
128.28047	1.8
129.06992	12.5
131.08565	36.5
133.06535	3.1
133.08658	9.1
133.10135	49.4
135.08076	6.3
135.11685	21.2
137.09636	4.1
139.11212	2.3
141.06963	3.4
142.07782	2.2
143.08551	15.0
145.06563	2.9
145.10118	37.3
146.10545	2.0
147.08058	6.2
147.11688	43.0
149.09616	18.4
149.13289	11.0
151.11209	5.0
155.08553	5.0
157.10152	13.5
159.11708	28.1
161.09659	5.3
161.13269	22.7
163.11179	21.6
163.14856	4.7
165.12793	6.2
167.26799	1.8
169.10126	6.2
171.11702	15.5
173.09624	3.3
173.13264	15.4
175.11197	7.7
175.14844	9.8
177.12794	5.6
179.14267	2.5
181.10115	2.0
183.11691	8.2
185.13237	11.1
187.14844	6.2
189.12801	3.3
189.16322	2.9
191.14345	3.4
193.12305	2.9
195.11732	3.3
197.13303	5.5
199.14917	8.7
201.16275	2.6
205.12375	2.8
207.13814	2.1
209.13359	2.1
211.14781	2.3
213.16420	3.5
215.18016	3.4
217.15895	1.9
217.19542	2.4
223.13181	2.7
229.19513	4.2
231.21153	4.3
237.16460	2.3
239.18011	7.3
241.19522	25.0
257.18976	16.9
259.20575	44.3
260.20923	2.7
273.18539	11.8
275.20099	51.3
276.20380	4.2
277.21680	6.5
277.55844	1.7
289.21634	1.9
291.19614	12.9
292.91776	1.7
293.21286	4.6
305.21280	2.2
307.22726	7.4
311.25839	3.0
315.23236	5.5
331.22650	2.2
333.24243	45.5
334.24438	3.4
335.25806	9.2
347.22012	4.7
349.23666	20.0
365.23300	5.4
381.26419	8.6
607.43542	13.1
625.44586	16.5
626.44641	2.3
639.43921	9.1
640.44574	2.3
646.35425	1.9
657.44385	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	658.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42940	0.3
53.89345	0.3
55.01873	0.5
57.03432	0.5
59.08532	0.3
61.02938	0.9
69.03437	2.5
71.29191	0.5
73.02885	0.4
75.34329	0.3
77.34315	0.3
78.08003	0.3
81.03421	1.0
83.91785	0.3
85.02432	0.7
85.02914	7.8
91.03925	0.5
97.02870	2.4
109.02878	1.3
110.66609	0.4
119.04900	0.4
127.03907	1.5
145.04964	1.6
191.03455	0.5
217.04832	0.3
218.54100	0.4
235.03308	0.4
243.02905	1.5
245.04572	0.5
246.01547	1.0
257.00812	4.0
258.01465	0.6
261.03958	0.5
271.02356	1.3
273.03903	0.4
274.00824	0.4
285.00272	1.7
286.00992	0.7
289.03326	0.7
299.01913	1.5
302.00574	19.8
303.00977	0.8
317.02927	100.0
318.03284	5.6
332.06525	0.4
350.57196	0.4
406.44464	0.5
479.08334	4.3
676.27002	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	658.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
51.87969	0.7
53.03948	3.5
55.01862	1.3
63.02386	1.0
65.03941	2.5
67.05486	0.8
69.65422	0.6
69.73064	2.8
69.73389	0.6
77.03928	2.3
78.04702	0.7
79.05479	1.4
81.03411	1.0
85.02883	0.8
89.03914	9.5
89.45987	0.7
91.05486	17.2
93.03400	1.1
93.07050	10.0
93.59471	0.6
95.04982	5.8
103.05479	10.3
105.03382	2.5
105.04495	1.9
105.07021	0.9
106.04143	0.6
107.04951	5.8
111.04385	0.9
115.05460	1.8
115.69135	0.7
117.03383	21.5
117.04228	1.0
117.07001	1.2
119.04949	8.0
120.05731	2.2
121.02935	0.7
121.06509	50.9
122.03667	1.0
122.06857	1.0
123.04457	2.9
125.05968	1.6
129.06932	0.8
130.04176	0.9
131.04915	3.3
132.05783	0.7
133.02852	29.4
133.06514	3.5
134.03575	2.3
134.06039	4.5
135.04424	4.5
135.08044	0.9
136.05219	1.0
136.07558	2.9
137.04980	1.0
137.05977	12.3
140.04683	1.0
143.04926	1.3
145.02847	52.3
145.06487	5.2
146.03267	1.9
146.07275	3.2
147.04399	5.2
147.08017	0.8
148.05200	0.8
149.04855	0.7
149.05984	20.0
150.06723	2.0
151.03946	1.7
151.07549	5.1
153.05452	2.8
158.03661	3.0
160.05241	1.3
161.05983	7.0
162.03055	1.0
162.05388	0.8
163.03899	1.5
163.07527	0.8
164.07072	7.7
165.05458	2.7
165.07001	0.7
165.39937	0.6
166.07625	0.7
167.08533	0.7
173.05988	6.0
174.06828	0.7
175.03946	4.1
175.07524	2.6
176.04500	0.7
177.05473	100.0
178.05789	3.0
179.07086	0.9
179.08542	1.1
181.04967	17.0
181.06348	0.8
186.03110	1.5
187.07498	1.2
189.05536	1.5
189.07095	0.7
191.07036	1.1
192.06575	7.0
193.06664	0.9
194.06982	0.7
195.08005	1.1
197.09605	1.2
201.05470	45.7
202.05862	2.3
203.07002	1.9
203.08691	0.7
205.06450	1.2
206.08162	0.8
207.08073	2.2
209.05724	0.8
209.09521	0.7
211.07503	0.8
213.05469	2.2
213.08934	0.6
219.06380	3.7
219.08324	1.0
221.05981	1.3
221.09679	1.0
222.06660	1.1
223.07509	1.4
224.08347	1.1
225.08978	1.2
231.06470	3.1
233.06053	0.9
234.06793	1.1
235.07509	3.6
237.09048	3.7
238.09920	0.8
239.10664	2.0
241.08644	1.0
247.07552	0.8
248.04698	0.9
248.08206	0.9
249.09338	3.4
250.09825	0.9
251.06992	1.1
252.07886	0.8
253.08655	1.2
255.10152	1.7
257.11548	1.3
262.06274	0.8
263.07043	3.0
264.07376	0.7
265.08536	1.5
267.10117	5.1
269.11661	1.8
273.11401	0.8
277.08600	1.2
278.09616	0.9
279.10443	1.0
281.11780	1.1
285.11148	4.9
295.09601	2.0
297.11197	1.7
298.11884	4.3
299.12643	1.9
300.13568	0.9
301.03244	1.0
302.04135	4.7
308.10080	0.8
309.11197	2.0
310.12039	6.6
311.12466	1.0
312.12274	14.8
314.13855	5.7
317.06546	9.8
321.07465	1.0
321.11188	1.9
323.09070	7.4
325.10538	2.5
327.12286	12.7
328.13007	28.1
329.13336	1.9
335.09198	1.2
338.13791	3.6
349.10571	0.9
350.13925	1.5
355.11655	2.1
356.15131	1.5
361.10925	1.3
386.15677	0.9
460.17480	3.7
472.17526	1.1
473.15967	2.8
485.15936	0.7
495.95844	0.7
503.17273	2.9
578.37335	0.6
610.24097	4.7
640.24908	2.3
658.26056	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	658.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92654	1.2
53.03950	4.3
53.72543	1.1
55.01878	3.2
55.05514	13.1
57.03446	8.4
61.12336	1.1
65.03928	2.8
67.05508	42.5
68.05849	2.3
69.03443	1.3
69.07076	13.2
70.31834	1.8
70.32160	2.3
70.89896	1.1
71.01342	1.3
71.04990	3.6
79.05499	49.8
80.05834	2.4
81.03423	7.3
81.07058	36.2
82.07381	2.0
83.04984	9.9
83.08624	6.9
85.06571	2.2
91.05483	29.3
93.07047	46.0
94.07370	2.3
95.04958	12.3
95.08609	12.6
97.02913	1.4
97.06534	7.2
97.07738	1.2
97.10178	5.0
99.04456	1.5
99.48743	1.2
105.07039	15.4
107.04961	5.7
107.08587	19.9
109.06537	4.8
109.10181	5.3
111.08073	1.8
113.06084	1.6
116.91914	1.3
117.07020	6.1
119.08589	18.9
120.08932	1.3
121.06533	3.9
121.10173	5.6
122.10516	1.3
123.08080	4.2
125.09663	2.1
129.07007	8.2
131.08594	3.6
133.10152	7.5
135.08098	2.0
135.11699	21.6
143.08585	3.7
145.10123	10.8
147.08035	1.2
147.11694	14.3
149.09645	1.9
157.10123	2.1
159.11769	1.7
161.09647	4.1
161.13307	3.0
163.11194	6.0
167.28419	1.4
171.11720	9.2
175.11165	2.9
181.12323	5.1
189.12761	4.7
193.12111	1.2
207.13812	9.6
255.15915	32.9
256.16367	1.9
267.15936	2.2
269.17596	1.6
273.18585	3.3
274.18915	1.8
275.20102	4.8
276.20432	2.1
281.17474	18.5
282.18042	1.2
292.19760	1.9
347.22650	1.3
349.23547	1.4
461.28970	100.0
462.29382	11.0
640.42407	1.6
643.19928	1.5
654.40808	1.3
658.43164	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	658.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.1
55.05516	34.0
57.03438	7.3
57.07079	34.1
59.22033	2.7
60.10438	2.9
67.05508	35.0
69.03424	3.9
69.07077	16.4
71.04987	5.6
71.08632	33.0
76.39547	2.4
79.05498	21.4
81.03427	6.4
81.07070	35.9
83.04967	10.9
83.08631	23.3
85.10188	13.3
89.06020	3.9
91.05500	11.7
93.07055	14.8
95.04973	28.0
95.08604	28.0
97.06508	4.2
97.10182	23.3
98.23352	7.4
99.08064	5.2
105.07043	7.9
107.04955	12.8
107.08614	17.4
109.06502	4.4
109.10169	13.7
109.22012	3.0
111.04445	8.5
111.08081	5.8
117.07057	3.9
119.08591	5.8
121.06524	4.6
121.10152	10.2
125.09645	23.1
126.05876	2.7
131.08603	5.6
133.08611	6.4
133.10143	3.8
135.08072	6.2
135.11705	9.3
145.10130	8.5
147.11681	3.8
149.09650	6.2
153.08002	3.0
153.09157	9.8
159.11693	4.1
161.09688	3.7
163.11209	19.9
165.12767	6.2
167.10646	2.8
173.09631	2.7
177.12683	5.5
181.12288	4.7
189.11232	21.0
195.13867	4.6
217.78998	3.3
223.13335	7.5
227.12755	25.9
229.19348	3.4
247.20682	4.7
257.19186	5.2
275.20087	36.1
276.20486	3.3
283.15289	2.7
293.21106	100.0
294.21338	6.1
311.22290	6.5
313.27328	81.5
314.27802	6.5
323.11951	3.3
349.23730	11.5
367.24802	36.1
368.25296	3.5
385.25858	14.6
483.36423	3.3
561.40973	3.3
605.47791	27.5
623.48889	28.2
652.16180	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	659.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03404	0.2
95.81594	0.2
109.02832	0.2
117.63352	0.2
119.77044	0.2
134.48897	0.1
137.05922	0.2
147.11673	0.2
151.03918	0.7
153.01843	2.1
153.03004	0.3
164.04611	0.2
167.03403	0.4
185.05940	0.3
196.05206	0.7
197.05931	0.3
199.07518	0.2
213.05518	1.5
217.04990	0.7
224.04671	1.0
225.03517	0.2
225.05486	1.2
227.07016	0.4
231.06441	0.2
234.06789	0.2
241.04958	4.6
242.05481	0.5
252.04163	0.5
253.04962	1.5
255.06531	0.4
256.07275	0.4
259.05994	0.7
267.06439	0.3
269.04456	2.2
270.05267	0.4
272.03128	0.3
281.04453	0.2
283.06082	0.5
284.06796	22.9
285.04153	0.3
285.07031	1.1
286.04654	0.5
287.05499	4.3
295.06009	0.5
297.03854	0.8
298.04459	0.4
299.05478	1.7
300.02896	0.4
300.06250	0.7
301.06998	1.9
302.07736	0.3
311.05457	3.2
312.06299	8.4
313.06973	2.6
314.04153	0.2
315.01303	0.3
315.04999	8.3
316.05713	2.4
329.06570	5.9
330.07300	12.7
331.07944	1.7
345.09689	100.0
346.10007	8.1
497.31400	0.4
659.05621	0.3
659.16040	4.7
660.16083	0.6
672.35571	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	659.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51001	0.2
53.03939	0.2
55.01879	0.5
56.56389	0.2
69.62967	0.2
71.30537	0.3
74.55779	0.3
79.05488	0.7
81.03461	0.3
91.05482	1.2
93.07043	0.8
95.04979	0.3
97.02894	0.3
99.51471	0.2
103.05454	0.7
105.07043	0.6
107.04955	0.6
107.08575	0.3
115.05508	0.4
119.04956	0.5
121.02870	0.5
121.06537	2.0
121.10133	0.3
122.03592	0.2
123.04446	0.4
125.05949	0.4
129.07059	0.3
130.56311	0.2
131.04938	0.6
133.02823	0.5
135.04396	0.3
137.02370	0.6
137.05978	2.4
145.02867	0.4
147.04425	1.2
149.05898	0.3
150.21628	0.3
151.03896	0.5
153.01897	0.4
158.07233	0.8
161.05991	0.5
163.03931	0.5
163.07527	0.7
164.07062	0.6
167.07030	1.0
172.04001	0.3
173.38457	0.3
175.03920	0.4
177.05478	0.9
177.09151	0.6
178.05690	0.3
179.07033	0.3
181.04979	2.4
185.06018	0.6
186.06757	2.0
189.05428	0.3
191.06995	0.3
196.05232	1.0
201.05557	0.7
203.03407	0.8
209.08118	0.5
213.05504	1.4
214.06273	1.9
221.08035	0.4
224.04825	0.6
225.05508	0.6
233.08064	0.3
241.04996	0.5
242.05780	2.8
249.55412	0.3
252.04239	0.5
253.04979	0.8
265.09064	0.3
269.04340	0.3
270.05234	23.8
271.05670	2.0
273.03952	0.4
281.04538	0.5
285.04028	0.7
285.12173	0.3
286.04678	0.7
287.05511	2.9
288.44458	0.2
297.03949	4.1
297.11127	0.3
298.04712	8.5
299.05423	2.8
301.03232	0.4
302.04187	2.4
315.04996	8.9
315.12326	1.0
316.05762	8.6
317.06305	0.7
331.08121	100.0
332.08484	6.9
339.09702	0.2
341.10141	0.3
351.09393	0.4
383.11856	0.3
403.14056	0.7
432.14362	0.3
436.89828	0.3
478.18814	0.5
504.16339	0.4
641.22321	10.7
641.51019	0.3
642.22278	1.9
659.22620	1.1
659.33173	0.6
660.24445	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	659.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91171	0.5
53.03946	1.6
55.01871	1.9
56.14745	0.6
63.55336	0.6
65.03951	6.9
67.05519	3.9
69.03423	2.0
70.89685	1.7
79.05500	3.0
81.03413	1.9
82.04209	2.1
85.02914	5.3
89.03909	2.0
91.05488	6.3
92.05830	1.0
93.03410	2.3
93.07040	3.1
94.07365	0.7
95.04952	3.4
97.02877	1.1
97.06517	2.2
103.05484	4.2
105.03448	0.7
105.04530	0.6
105.07051	4.6
107.04955	7.1
107.08628	0.8
108.02090	1.2
109.02882	0.8
109.06519	0.6
110.03652	4.0
111.04442	2.2
115.05467	5.6
117.03407	6.0
117.07021	2.1
118.03760	1.1
119.04894	1.9
119.08578	0.8
121.06512	11.8
122.03667	0.9
122.06837	3.2
123.04440	2.4
123.05479	0.6
125.05984	3.2
127.03918	1.0
128.06244	1.2
131.04893	1.8
132.05684	1.1
133.02922	1.5
133.06499	4.3
133.68533	0.8
135.04424	2.1
135.08070	0.8
136.07591	1.0
137.02365	0.8
137.05981	5.5
138.03133	2.1
139.03917	1.0
140.04797	0.6
142.02667	3.2
143.04916	1.8
145.02859	12.7
145.06473	3.9
146.03215	4.0
147.04382	3.0
147.08066	2.6
148.05190	1.0
149.06001	3.1
150.06595	1.0
151.03937	3.7
151.07570	1.4
152.07884	0.8
153.01862	0.7
153.05481	2.9
155.06010	1.3
155.07132	0.7
157.06467	0.8
158.03650	0.9
159.04375	0.8
160.05234	1.7
161.05994	6.7
163.03818	0.9
163.07480	1.2
164.07101	0.9
165.05486	2.0
165.07133	0.8
165.09097	1.2
167.07062	13.1
171.06590	4.2
172.05183	2.9
173.05975	4.8
174.06659	1.6
175.03848	0.9
175.07571	4.7
176.04700	1.3
177.03989	1.5
177.05482	21.0
177.07024	1.3
178.05858	6.4
179.07034	1.0
180.07655	1.5
181.04971	100.0
182.05345	3.7
183.06596	1.0
186.03235	1.3
189.05481	3.0
189.07085	0.9
189.08934	1.0
191.03319	1.2
191.07028	4.5
191.08513	0.9
193.04968	1.4
193.06754	1.1
193.08617	2.9
195.06506	0.9
195.08089	1.1
200.04718	0.8
201.05475	10.3
202.05878	4.5
202.07471	0.8
203.07062	1.9
205.06784	1.2
205.08655	3.8
206.07361	0.8
207.04720	0.7
207.06447	3.5
207.08296	1.1
207.10170	1.9
208.05359	0.8
208.07094	1.4
209.08023	1.6
210.06918	0.8
211.07671	0.9
215.07071	0.8
217.08652	5.2
218.05719	1.0
219.06346	5.3
219.08331	1.4
221.06084	1.3
221.08017	7.8
221.09776	0.9
222.06493	1.0
223.07567	0.9
225.07620	2.8
231.06485	1.6
233.06017	0.8
233.08063	12.2
234.06870	1.0
235.07445	3.1
235.09683	8.5
236.07993	1.0
237.05353	1.0
237.09116	1.4
239.07010	0.8
241.08716	0.8
247.07668	0.8
249.05347	1.2
249.07285	4.0
250.06313	2.0
250.09657	0.9
251.07019	2.2
254.08997	0.8
255.06580	0.9
261.05240	1.2
261.07596	7.5
262.06000	0.9
263.07080	3.1
264.07813	1.3
265.08572	2.5
266.09027	1.1
267.10126	1.3
269.08142	1.2
271.06189	1.0
271.09515	1.0
277.08655	2.5
278.05875	1.1
278.09155	1.5
279.06137	0.9
279.08698	10.0
280.06833	0.9
285.10870	0.9
286.11472	0.9
291.06418	1.6
292.07474	0.8
293.08191	1.9
294.05411	0.8
294.08823	1.5
295.06259	0.9
295.09601	2.0
296.09940	0.8
297.11157	0.9
298.11728	1.8
299.09283	1.6
299.12482	2.0
302.04263	1.0
307.05930	1.0
308.06650	1.0
309.07697	1.5
309.11169	1.4
310.08353	1.5
310.11804	2.4
311.09296	1.4
311.12604	2.1
312.12421	3.8
313.12582	2.7
314.13962	1.8
315.14227	1.6
317.06564	2.2
318.06952	1.6
319.06854	1.0
321.07617	1.7
322.08197	1.1
323.05548	0.9
323.09250	2.1
325.10675	2.4
327.12146	3.2
328.12766	5.9
329.13345	2.8
331.08020	0.9
333.07776	0.9
337.10770	1.5
338.07806	1.2
339.08527	1.9
341.10254	0.9
343.11914	1.1
345.09750	0.8
351.08435	1.7
353.10263	5.2
355.11670	1.5
359.11292	2.2
365.10208	1.0
369.13684	1.0
370.10535	1.1
371.11459	1.0
373.12885	1.3
383.11356	3.1
384.11896	1.8
385.12894	8.2
386.13065	0.8
387.14075	0.9
397.12888	2.8
398.13303	0.9
401.12369	3.7
403.13907	5.5
415.13910	33.6
416.14383	3.1
417.15527	1.0
425.92532	0.7
433.14871	3.4
459.16565	0.9
474.16354	1.5
495.12802	0.8
497.13342	0.8
504.17648	0.8
521.36267	0.7
579.18976	1.1
641.22461	3.0
659.31415	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	659.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27822	0.6
55.01864	1.0
60.35530	0.6
61.02923	1.5
65.03928	1.0
66.32873	0.7
67.05489	3.1
69.03410	1.0
79.05470	2.1
81.03403	1.5
81.07031	1.7
83.04989	0.9
83.08627	0.8
85.02911	1.4
86.09716	0.9
89.03919	0.9
91.05459	3.1
92.05041	0.8
93.07052	3.4
94.06551	2.9
95.04959	1.6
95.07349	1.1
95.08610	1.1
96.08125	4.4
97.02890	1.3
97.06479	1.2
98.13948	0.7
105.07013	1.0
106.06535	0.9
107.08588	0.8
108.04449	1.1
108.08123	4.0
109.10159	1.5
110.09678	5.0
116.04951	2.2
117.03386	0.8
120.04483	0.8
120.08108	5.8
121.06443	0.9
121.10129	1.2
122.06027	5.6
124.07584	4.9
124.99957	1.0
129.06999	1.0
133.10129	0.9
134.05925	0.8
136.07582	6.7
138.09131	8.5
143.08440	0.7
144.04454	7.3
144.08099	1.2
145.02884	1.1
146.05945	1.5
148.07597	1.2
150.05467	1.7
155.07231	0.8
155.08618	0.7
157.10103	0.8
160.03912	2.6
162.05495	3.6
166.08653	10.6
170.09639	3.8
172.03946	29.1
172.09917	1.3
172.11244	1.5
173.04443	1.2
175.08696	1.6
177.05493	2.3
178.05756	0.9
184.07410	3.6
184.11330	0.8
187.12303	5.4
188.10770	0.8
190.05000	7.4
194.08151	0.8
198.09140	23.1
200.09418	2.7
200.10942	0.8
204.06566	41.7
205.06882	2.0
212.10788	5.0
213.10144	0.9
215.08456	0.7
215.11812	19.6
223.12282	0.9
225.07945	0.9
225.10185	1.6
225.54492	0.9
226.08728	6.7
227.08249	1.1
227.11865	1.9
229.09752	1.2
231.11206	0.8
237.10263	1.7
240.10252	3.4
241.09705	1.4
241.13390	1.7
242.10532	1.9
243.11293	100.0
244.11662	4.1
251.08110	0.8
251.11797	0.8
253.09799	0.7
255.11169	5.8
257.12857	5.0
265.09735	1.7
269.09097	0.8
283.10770	1.0
284.11331	1.3
285.12329	91.0
286.12747	4.0
297.12466	0.8
301.11929	4.7
302.12320	1.3
303.13394	78.5
304.13782	3.9
307.10748	1.2
311.10168	1.8
325.11777	6.7
330.13037	0.9
331.13776	0.9
339.09805	3.0
339.91617	0.7
343.13000	2.2
357.14432	2.8
358.15363	2.1
371.12354	5.1
413.17856	1.0
418.17987	1.8
424.52512	0.7
428.15704	0.9
430.17642	1.3
462.16635	3.0
463.17047	0.9
470.17047	2.4
474.16510	3.0
476.18140	3.2
488.17630	1.5
494.19019	1.1
504.17670	1.0
583.25476	3.6
599.25061	2.0
609.23102	1.0
613.26038	2.0
623.24561	1.3
627.24542	5.0
641.25818	12.0
642.25848	1.9
659.32513	21.2
660.32788	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	659.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.6
52.90401	1.6
53.03945	5.0
54.29436	1.7
55.01876	22.3
55.05513	58.9
57.03450	15.7
57.07077	15.6
65.03938	4.1
65.23654	1.7
67.05507	74.9
68.00108	2.0
69.03424	2.8
69.07071	57.6
71.04993	6.2
71.08627	11.2
73.02921	6.8
73.06580	2.9
73.31454	1.6
73.88795	1.9
77.03941	2.4
77.12608	1.9
79.05500	50.1
81.03417	13.1
81.07056	87.6
82.07417	2.9
83.04987	6.9
83.08619	48.1
85.02935	1.7
85.06536	6.9
85.10178	4.0
85.59227	1.6
89.06042	3.8
91.05483	36.2
93.07045	61.0
95.04969	12.8
95.08046	3.6
95.08612	41.9
97.06546	13.3
97.10171	22.1
98.98465	100.0
99.08085	4.8
105.07033	23.0
107.04974	4.1
107.08598	35.4
109.06518	7.0
109.10155	11.5
111.08103	8.8
111.11710	7.2
116.99506	3.1
117.07027	12.0
119.08582	15.6
119.78423	1.7
121.06527	5.8
121.10141	24.0
123.08081	5.4
123.11721	10.0
125.09580	2.9
129.07008	3.6
131.08560	18.1
133.10124	13.3
135.08069	3.1
135.11700	16.9
136.99959	2.4
137.13235	3.1
143.08565	2.0
145.10118	7.3
147.11707	9.2
149.13257	34.1
150.13541	2.4
151.11218	3.1
155.01045	84.8
159.11681	22.0
163.11180	2.4
165.12796	2.5
171.11745	2.3
173.02177	1.9
173.13225	3.7
175.11198	2.5
177.11230	1.5
177.12738	30.7
178.13116	2.3
183.00560	3.2
187.14850	2.6
193.12244	2.5
195.13809	22.9
197.13206	1.7
211.03523	2.3
213.14783	3.3
229.04836	3.0
229.14279	2.2
233.15384	8.2
237.22180	17.4
251.16423	60.9
252.16736	3.3
264.47437	2.1
269.17493	39.2
275.19910	4.0
284.74863	2.2
303.88278	2.1
311.25769	54.1
312.26239	2.9
313.27457	3.9
314.27600	2.0
331.13080	2.7
335.25696	6.0
349.14078	16.4
391.22592	2.5
392.22122	2.1
403.35629	2.5
405.16638	18.3
423.17770	11.8
447.25046	2.9
487.38068	9.9
505.38879	45.8
506.39120	4.9
561.41437	2.8
615.81738	2.0
641.37390	4.0
659.38104	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	659.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01874	19.3
55.05518	53.1
57.03437	13.3
57.07087	18.3
58.27901	2.6
62.88951	2.5
63.35463	2.7
67.05514	75.2
67.57290	2.6
69.03418	3.2
69.07075	58.8
69.64304	10.4
71.05009	4.1
71.08641	12.2
73.02934	6.5
74.07156	2.4
79.05499	51.7
81.03408	11.4
81.07066	90.5
82.07434	2.9
83.04993	9.9
83.08629	44.2
85.10195	3.8
91.05482	36.4
93.07056	57.1
95.04974	9.6
95.08613	35.3
97.06541	11.3
97.10201	25.1
98.98472	100.0
99.08096	9.2
105.07020	21.8
107.04955	4.2
107.08601	32.8
109.06548	5.1
109.10184	6.8
109.61703	2.7
111.08087	9.3
111.11755	5.2
117.07022	8.2
119.08584	12.1
119.41145	3.0
121.06516	7.5
121.10150	19.2
123.08038	4.0
123.11701	8.2
125.09633	3.8
129.07028	3.4
131.08575	16.2
133.10141	7.1
135.08073	4.7
135.11729	16.4
136.99973	3.7
139.11142	2.7
145.10179	3.8
147.11705	10.1
149.09599	3.4
149.13271	29.2
151.11186	3.4
155.01059	75.8
157.10149	2.7
159.11703	18.8
162.01149	3.0
163.11113	3.5
165.12769	3.2
173.02185	3.4
177.12769	34.2
183.00673	3.3
187.14839	3.5
195.13805	23.5
233.15295	6.3
237.22102	16.2
251.16457	50.0
252.16789	4.3
269.17596	33.5
291.19446	3.4
308.34955	2.9
311.25806	54.0
312.26178	3.9
313.27463	6.3
328.40891	3.2
331.12976	5.8
349.14035	19.6
365.23227	2.9
399.06836	3.4
405.16769	21.2
423.17737	11.9
423.87607	3.3
487.37732	8.4
505.38806	48.0
506.38779	6.9
507.40799	3.1
586.34869	3.4
614.95154	3.3
659.38989	6.6
669.37317	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	659.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03947	3.8
55.01880	6.8
55.05514	19.5
57.03445	3.2
57.07071	1.9
59.05000	0.6
65.03934	2.7
66.04719	0.6
67.05509	40.7
68.05836	0.8
69.03439	1.4
69.07071	17.9
71.05004	3.0
71.08617	0.8
73.06565	0.7
75.21582	0.5
77.03907	0.5
79.05499	40.8
80.05817	0.8
81.03434	3.4
81.07061	100.0
82.07386	2.0
83.04996	6.0
83.08624	12.6
85.06544	3.2
87.04474	1.0
89.06034	7.3
90.06393	1.0
91.05486	33.4
92.05823	1.2
93.07049	29.3
95.04980	11.6
95.05565	1.1
95.08614	27.2
96.08951	0.8
97.06542	8.7
97.10160	3.1
99.08106	2.9
102.63138	0.5
103.05515	0.9
105.04543	1.5
105.07036	31.7
106.07385	1.1
107.04963	7.7
107.08601	18.5
109.05782	1.1
109.06525	21.4
109.10169	10.6
110.06881	0.7
111.08092	3.7
115.05453	0.9
117.07021	7.0
119.08588	25.0
120.08958	0.7
121.06519	4.0
121.10148	13.9
123.08075	6.8
123.11717	7.9
125.09660	1.9
128.06273	1.0
129.07063	2.9
130.07774	0.5
131.08574	11.2
132.08861	0.6
133.06505	1.8
133.08623	4.1
133.10136	14.9
134.08949	0.9
135.08043	4.4
135.11681	6.0
137.09615	4.2
137.13240	1.1
141.07002	0.9
142.07788	0.6
143.08559	1.6
145.06487	0.9
145.10129	8.8
146.10529	0.9
147.08055	1.5
147.11694	20.3
148.12041	0.9
149.09647	7.1
149.13258	6.1
151.07645	0.7
151.11191	2.9
155.08594	1.2
157.10144	3.2
159.08055	0.5
159.11699	6.3
161.09628	1.8
161.13277	3.2
163.11197	6.6
163.14844	2.2
165.12764	6.9
167.10648	0.5
169.10165	1.5
171.11708	2.2
173.09631	1.3
173.13284	4.4
174.13797	0.5
175.11218	2.9
175.14893	1.2
177.11354	1.1
177.12794	2.6
178.11621	0.9
179.14378	2.3
181.12122	0.7
183.11719	1.6
185.13330	1.5
187.11105	1.2
187.14922	1.5
191.14397	0.8
193.12248	2.4
195.13771	0.9
197.13203	1.2
201.12761	1.2
201.16420	0.9
203.14468	0.7
205.12193	0.7
207.13867	0.9
211.14951	0.6
215.17996	0.6
219.13972	0.6
223.13278	0.7
224.40677	0.6
229.19536	2.4
233.15437	0.7
233.19182	0.5
239.17989	1.7
247.20605	4.5
257.19073	5.4
267.16003	1.2
275.20062	46.7
276.20404	3.1
291.19370	0.8
293.21146	9.3
294.21344	1.1
331.22830	0.7
335.25906	0.8
349.23755	18.9
349.27890	1.1
350.24179	1.6
367.24722	7.6
460.28433	0.7
519.39288	0.6
546.01178	0.6
623.43170	3.1
641.43939	5.4
642.44403	1.5
659.45288	13.2
660.45306	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	659.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01878	11.1
55.05515	37.2
56.05847	0.5
57.03440	5.2
57.07066	2.7
59.04984	0.8
64.71580	0.5
65.03941	3.9
66.04740	0.6
67.05508	53.8
68.05849	1.6
69.03437	3.0
69.07070	26.7
69.37834	0.5
71.05002	5.9
71.68037	0.4
73.06564	1.1
77.03944	1.1
79.05495	53.8
80.05833	1.2
81.03422	5.6
81.07059	100.0
82.07393	2.3
83.04482	0.8
83.04984	16.0
83.08621	22.8
84.08923	0.4
84.77629	0.4
85.02901	3.5
85.06542	3.5
85.10189	1.0
87.04491	0.6
89.06031	2.3
91.05485	41.6
92.05803	1.2
93.07047	42.6
94.07378	0.9
94.16370	0.5
95.01315	0.5
95.04973	48.2
95.08610	32.1
96.05309	0.7
96.08945	0.8
97.02865	0.8
97.06530	9.4
97.10172	8.7
97.42498	0.5
98.22534	1.0
99.04459	6.9
99.08097	3.0
101.06032	0.7
103.05469	1.8
105.04542	1.3
105.07033	41.4
106.07352	0.9
107.04958	11.3
107.08598	35.4
108.08962	1.1
109.06526	20.9
109.10158	14.4
110.06860	0.8
111.04449	11.3
111.08078	6.5
113.06020	1.3
113.09682	0.8
115.05460	2.0
116.06260	0.7
117.07027	10.7
119.08582	30.4
120.08938	1.0
121.06518	6.9
121.10150	23.8
122.10521	0.6
123.08073	9.5
123.08916	0.5
123.11715	9.2
125.06020	1.8
125.09631	8.0
127.07624	0.6
128.06247	1.3
128.25844	0.4
129.07007	4.7
130.07811	1.0
131.08575	18.5
132.08852	0.5
133.06505	1.5
133.08595	1.4
133.10133	16.9
134.10475	0.6
135.08061	7.6
135.11696	10.5
136.12054	0.5
137.09627	4.1
137.13298	1.2
139.07516	0.6
139.11238	2.6
141.06975	1.5
141.09091	0.6
142.07837	0.7
143.08592	3.5
145.06523	1.3
145.10126	18.6
146.10504	1.0
147.08070	3.1
147.11693	21.5
148.12050	0.6
149.09627	21.4
149.13249	6.6
150.09961	0.8
151.07565	0.6
151.11165	2.6
153.09138	2.0
153.12788	1.5
155.08566	2.1
157.10139	6.2
159.08070	1.8
159.11708	10.2
161.09669	2.7
161.13264	3.6
163.11191	21.3
163.14816	2.4
164.11708	0.6
165.09090	0.6
165.12750	6.7
167.10725	1.2
167.14357	0.6
169.10146	2.2
171.10297	0.8
171.11726	2.9
173.09639	2.1
173.11772	1.6
173.13293	4.6
175.11188	3.7
175.14848	1.1
177.12773	3.9
179.10692	0.9
179.14258	0.9
181.12254	1.6
183.11728	2.7
183.13870	0.9
185.13347	1.4
187.11208	3.1
187.14902	1.9
189.11256	8.5
189.12796	1.5
189.16420	0.7
191.10664	1.5
191.14320	1.6
193.12270	2.4
197.13312	1.8
199.14809	1.0
201.12856	1.4
201.16333	0.9
203.14413	0.6
205.12276	4.6
207.13818	1.5
210.82462	0.5
211.13322	1.4
213.16434	0.8
215.14348	1.1
215.17957	1.1
217.16013	0.5
219.13831	0.9
223.13298	37.4
224.13687	1.4
227.12805	1.0
229.14374	0.7
229.19545	4.3
233.15524	0.6
237.14832	1.0
239.17976	3.7
247.20598	5.9
249.14807	0.5
257.19009	9.3
265.21851	0.8
267.15912	1.9
273.18793	0.7
275.20071	78.2
276.20425	5.1
293.21115	30.9
294.21545	1.7
311.22360	0.8
331.22678	1.5
349.23737	23.2
350.23920	2.8
367.24792	10.8
367.29117	0.8
368.25287	1.0
375.62698	0.5
513.87915	0.5
531.38123	0.8
623.43073	4.5
641.44110	10.6
642.23224	0.5
642.44354	2.1
659.45154	23.7
660.45459	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	659.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.6
51.02364	0.7
51.33781	0.5
53.03949	4.4
55.01873	5.5
55.05517	16.4
57.03446	2.8
57.07076	1.2
65.03939	2.8
67.05508	42.2
68.05830	0.6
69.03427	2.1
69.07072	21.9
71.05006	2.7
71.08627	0.7
77.03954	0.6
79.05497	37.6
80.05828	1.4
81.03432	2.9
81.07061	100.0
82.07397	2.2
83.04980	5.5
83.08624	13.3
85.06557	3.5
86.02862	0.5
91.05487	28.8
92.05807	0.9
93.07050	25.4
94.07439	0.7
95.04385	0.6
95.04977	9.8
95.08613	29.0
96.08931	1.4
97.06533	9.2
97.10176	1.9
99.08085	2.5
101.06035	0.6
103.05473	1.1
105.04535	1.3
105.07036	29.6
106.07359	1.0
107.04952	7.5
107.08601	18.4
108.08940	0.7
109.06522	22.4
109.10162	10.0
110.06857	0.7
111.08090	4.8
111.95886	0.5
113.06037	0.7
115.05449	0.7
117.07022	6.3
119.08588	23.9
120.08916	0.9
121.06530	4.2
121.10152	15.4
123.04464	0.8
123.08076	7.6
123.11713	11.1
123.12570	0.9
125.09654	2.3
127.07556	1.2
129.07014	2.6
131.08569	12.2
133.06535	0.9
133.10133	16.4
134.10484	0.6
135.08051	4.4
135.11696	6.6
137.09601	4.8
137.13293	1.8
139.11186	1.3
141.06999	0.8
142.07721	0.6
143.08582	1.6
145.06517	0.7
145.10135	11.3
147.08081	1.9
147.11696	23.7
148.12032	1.4
149.09641	7.3
149.13269	7.2
151.11162	2.4
155.08585	1.2
157.10139	4.2
159.08095	1.0
159.11694	7.6
161.09656	1.7
161.13263	3.3
163.11176	7.2
163.14862	2.1
165.12775	9.1
169.10143	0.9
171.11700	2.3
173.09631	1.4
173.13271	4.4
175.11171	3.2
175.14845	1.0
177.12805	2.5
177.23186	0.6
179.10695	0.8
179.14357	1.4
183.11765	1.5
183.13799	1.0
186.63602	0.5
187.11232	1.7
187.14833	1.7
189.11134	0.6
189.12788	0.8
191.14328	1.2
193.12306	2.7
195.13828	1.1
197.13335	1.1
198.34622	0.6
201.12906	0.7
201.16481	0.8
203.14301	0.6
207.13782	0.9
209.11769	0.6
215.18013	1.1
223.13254	1.0
229.14366	0.8
229.19458	3.6
239.17963	2.5
247.20543	6.4
257.19031	5.5
265.21609	0.8
267.15982	1.5
275.20078	56.2
276.20407	4.9
293.21127	11.1
331.23108	0.6
349.19455	1.2
349.23746	22.7
350.24167	1.9
367.24768	8.3
623.43140	2.9
641.44299	5.3
642.44080	1.1
659.45270	14.9
660.45728	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	659.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	1.2
53.03941	6.8
55.01877	15.7
55.05516	52.9
57.03444	6.9
57.07064	2.6
59.05012	1.0
62.55120	0.9
65.03944	7.5
67.05508	70.9
69.03434	4.2
69.07071	32.5
71.04993	7.2
77.03934	1.1
79.05495	70.4
80.05853	1.6
81.03422	9.4
81.07062	100.0
82.07379	2.4
83.02251	0.8
83.04988	16.9
83.08624	41.9
85.02917	3.7
85.06563	3.5
91.05485	58.5
92.05820	1.3
93.07050	57.6
94.07395	1.2
95.01341	2.3
95.04972	53.3
95.08610	47.3
95.85330	0.8
96.08929	1.3
97.02922	2.0
97.06537	16.8
97.10173	12.4
99.04469	6.6
99.08100	3.8
101.85493	1.0
103.05440	1.4
105.04525	2.1
105.07037	55.5
106.07352	2.3
107.04955	21.3
107.08602	45.3
108.08968	1.1
109.06524	18.0
109.10162	27.1
110.10482	1.6
111.04449	9.5
111.08086	11.1
113.06022	1.2
115.05492	2.5
117.07024	22.2
119.06111	1.3
119.08588	34.0
119.09441	1.8
120.08915	1.6
121.06515	9.1
121.10144	28.6
122.10441	1.1
123.04456	1.1
123.08084	10.6
123.11694	8.6
125.05981	2.0
125.09626	10.6
128.06230	1.9
129.07008	9.6
130.07834	2.0
131.08575	25.1
132.08977	1.2
133.06511	2.6
133.10135	32.0
135.08057	10.4
135.11696	13.3
137.05975	1.2
137.09625	6.7
137.13284	1.3
139.07570	1.1
139.11209	3.8
141.07016	2.6
141.09166	1.3
142.07809	2.0
143.08559	6.1
144.09279	1.3
145.06528	2.6
145.10121	29.6
146.10573	1.8
147.08022	5.9
147.11685	22.2
148.55968	0.9
149.09622	32.5
149.13263	6.2
150.10057	1.4
151.11162	6.1
153.09177	1.8
153.12776	2.1
155.08580	5.7
157.10132	7.5
159.08064	2.1
159.11723	16.3
160.12088	1.7
161.09642	3.4
161.13251	6.2
163.11194	33.5
163.14874	1.9
165.12766	8.8
169.10146	4.2
171.10342	1.2
171.11661	4.9
173.09708	2.8
173.11858	2.1
173.13313	8.3
175.11174	4.2
175.14865	1.6
177.12762	6.7
179.10791	1.4
179.14294	1.8
181.12256	2.7
183.11729	5.4
185.13326	2.1
187.11183	5.0
187.14894	3.1
189.11250	8.4
189.12787	2.7
191.10704	2.8
191.14331	2.1
193.12248	3.0
197.13315	2.7
201.12796	2.2
201.16408	1.6
205.12297	4.3
207.13855	1.4
211.13188	1.9
211.15002	1.6
215.17947	1.6
219.13811	1.2
219.17352	1.4
223.11086	1.7
223.13292	35.4
224.13597	2.2
227.12790	2.5
229.14505	1.1
229.19583	4.2
229.45129	1.1
239.17995	7.1
247.20583	6.8
257.19028	14.5
258.19302	1.8
259.20587	1.1
265.21732	2.3
267.15964	2.1
269.17462	1.3
273.18549	1.2
275.20074	96.4
276.20389	8.3
291.19446	1.3
293.21124	30.9
294.21506	1.7
311.22357	1.3
331.22806	2.3
349.23749	40.6
350.24069	3.5
367.24792	17.3
368.25116	1.6
513.36316	1.4
623.43237	7.2
624.43488	1.3
641.44055	11.9
642.43909	2.0
659.45068	22.1
660.44855	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	659.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
53.03952	4.3
55.01873	9.2
55.05514	35.4
55.58577	0.5
56.05854	0.6
56.15067	0.5
57.03437	4.1
57.07072	1.8
59.05010	0.7
59.89640	0.5
65.03938	4.6
67.05507	62.8
68.05846	1.3
69.03421	3.3
69.07069	23.2
70.07402	0.8
71.01336	0.6
71.05003	4.3
71.08667	0.9
77.03941	1.1
79.05495	55.0
80.05821	1.3
81.03419	5.5
81.07059	100.0
82.07394	3.2
83.04982	9.1
83.08621	26.4
84.08952	0.9
84.66105	0.5
85.02872	0.7
85.06548	3.5
91.05482	47.5
92.05829	1.4
93.07046	42.1
94.07397	1.2
95.01352	0.9
95.04359	1.0
95.04972	20.3
95.08607	38.9
96.08981	1.4
97.02914	1.7
97.06535	12.7
97.10165	3.8
98.23399	1.6
99.08086	2.7
103.05451	2.6
105.04528	2.0
105.07034	42.3
106.07368	1.3
107.04961	13.8
107.08600	29.7
108.08958	0.8
109.05779	1.0
109.06521	19.8
109.10159	18.9
111.04478	1.3
111.08084	8.1
113.06011	0.5
113.09638	0.6
115.05460	1.9
116.06215	0.9
117.07028	13.1
119.08587	30.9
120.08924	1.1
121.06509	7.7
121.10148	19.2
123.04414	0.5
123.08084	7.9
123.11707	7.8
125.05971	0.8
125.09636	4.3
127.07556	1.5
128.06271	1.6
129.07001	6.1
130.07787	1.1
131.08575	18.6
132.08899	1.2
133.06519	2.3
133.10133	26.5
134.10484	1.6
135.08060	6.1
135.11693	8.5
137.09619	5.8
137.13272	0.9
139.11208	2.0
141.07005	2.1
141.09071	0.6
142.07845	0.9
143.08572	3.8
144.09386	0.7
145.06505	1.7
145.10132	18.0
146.10521	1.0
147.08020	3.2
147.11691	20.7
149.09618	17.3
149.13272	6.5
151.07497	0.8
151.11206	5.1
153.09135	0.9
155.08575	2.3
157.08968	0.9
157.10109	4.0
159.08057	0.8
159.11691	10.6
160.12070	0.6
161.09648	2.2
161.13260	4.2
163.11191	18.0
163.14841	1.9
164.11514	0.9
165.09158	1.4
165.12782	7.8
168.09422	0.6
169.10129	2.7
171.11668	4.3
173.09668	2.3
173.13260	6.0
175.11169	4.2
175.14799	1.0
177.12766	3.9
179.10684	0.8
179.14317	1.6
183.11697	2.8
184.07350	0.6
185.11784	0.7
185.13283	1.0
187.11153	2.4
187.14807	3.0
189.11194	1.1
189.12738	1.5
189.16281	0.7
191.10695	1.5
191.14343	1.3
192.09917	0.5
193.12288	2.3
195.13885	0.6
197.13226	2.9
199.14874	0.6
201.12799	2.0
201.16420	1.0
205.12277	1.3
205.19604	0.6
207.13733	1.2
211.14865	1.3
213.16391	1.1
215.14381	1.2
215.17950	1.0
219.13725	1.0
219.17491	0.7
223.13229	2.6
223.16888	0.6
229.16072	0.7
229.19545	4.0
231.17279	0.8
233.15337	1.1
237.14821	0.8
239.18025	5.6
247.20590	5.7
257.19043	9.4
258.19376	0.7
259.20389	0.7
263.16418	0.6
265.21616	1.1
267.15872	1.5
273.18445	1.2
275.20068	65.5
276.20419	4.2
279.15997	0.9
291.19495	1.0
293.21112	12.3
294.21411	1.4
313.21564	0.8
331.22702	1.1
331.32773	0.5
349.23718	27.5
350.24173	2.0
367.24844	9.7
368.25165	0.8
430.57382	0.6
457.32935	0.6
515.33936	0.8
522.02448	0.6
549.39917	0.6
567.40417	1.1
623.43054	4.4
641.44122	7.7
642.44147	1.7
659.45129	10.2
660.46320	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	659.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
53.17705	1.4
55.01875	20.8
55.05513	61.5
57.03445	8.4
57.07077	3.3
57.30481	1.1
59.68753	1.3
65.03937	5.3
67.05505	65.1
68.37717	1.3
69.03422	3.7
69.07066	36.4
70.06597	4.2
71.04988	9.4
71.29003	1.3
77.03903	1.5
79.05493	71.8
80.05803	1.7
81.03413	13.3
81.07056	73.3
82.07386	3.3
83.04984	30.7
83.08621	43.7
85.02908	9.0
85.06536	4.4
88.07635	3.6
89.07967	1.4
91.05482	51.8
92.05811	1.9
93.07045	65.7
95.04970	99.8
95.08606	41.8
96.05310	2.4
97.02860	1.7
97.06544	15.1
97.10164	16.5
99.04467	15.7
99.08086	3.5
101.53667	1.3
102.09151	2.2
103.05453	2.3
105.04537	1.5
105.07034	45.6
106.07322	1.6
107.04959	21.5
107.08595	55.2
108.08916	3.5
109.06526	16.8
109.10166	21.4
111.04440	28.1
111.08076	11.2
113.06018	2.0
115.05410	3.5
117.07006	15.6
119.06059	1.3
119.07780	2.3
119.08584	30.5
120.08936	2.8
121.06494	9.9
121.10144	31.0
122.10490	1.6
123.08076	11.1
123.11699	4.8
125.05998	3.6
125.09639	21.3
128.06235	2.5
129.06984	7.7
130.07785	2.3
131.08575	25.5
133.06520	2.6
133.10135	23.1
135.08083	8.9
135.11700	13.6
137.09584	4.8
139.11179	5.1
141.06993	2.2
143.08549	5.2
145.10126	32.8
147.08023	7.6
147.11691	14.9
149.02339	7.3
149.09627	45.8
149.13275	6.0
150.02696	2.4
151.11223	2.5
153.09120	3.0
153.12769	2.5
155.08574	3.4
155.10628	1.6
157.10115	5.3
159.11694	16.8
161.09656	4.0
161.13239	5.8
163.11185	41.8
164.11487	1.9
165.09047	1.6
165.12762	5.6
167.10649	2.6
169.10072	4.7
171.10349	1.4
171.11684	5.6
173.09608	2.7
173.11771	2.2
173.13260	3.5
175.11156	3.6
177.12776	7.1
179.10643	2.1
181.12173	3.1
183.11652	4.5
185.13237	2.4
187.11180	7.2
189.11229	18.9
191.10587	1.5
191.14290	2.4
193.05006	8.8
193.12234	3.8
194.05350	2.2
195.13869	3.2
197.13283	2.9
199.14758	1.5
201.12735	1.6
205.12268	9.3
207.13757	2.5
211.13329	1.9
223.13289	92.5
224.13629	4.3
227.12767	4.2
229.19501	4.5
233.15363	1.4
239.17911	5.0
247.20566	4.5
256.26199	6.1
257.19019	16.6
257.26660	5.1
269.17517	14.5
275.20068	100.0
276.20398	8.4
291.19501	3.0
292.19748	1.5
293.21097	54.2
294.21384	2.6
311.22070	1.7
331.22748	4.1
333.24298	1.6
349.23737	33.4
367.24786	14.3
385.09131	1.9
386.09494	3.0
430.12207	3.3
461.67819	1.3
463.30530	21.6
495.42493	1.5
545.62085	1.3
623.42816	4.3
634.30908	1.3
641.35797	1.6
641.44220	16.4
642.44458	2.2
659.35529	18.5
659.44904	56.8
660.35626	2.7
660.38074	1.6
660.45264	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	660.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07811	1.1
52.32237	1.2
53.03944	3.4
55.01850	1.1
55.05507	6.3
56.66248	1.0
57.03437	6.8
61.02940	1.5
64.29438	1.1
65.03939	3.9
67.05508	24.1
69.03412	1.8
69.07069	3.1
69.13924	6.6
69.14346	1.8
71.04996	3.3
77.36202	1.1
79.05502	13.2
81.03422	28.4
81.07057	16.3
83.04990	5.6
83.08618	9.9
85.02908	13.0
86.09697	1.5
89.03928	8.4
91.05485	88.1
92.05813	1.8
92.09671	1.0
93.07046	10.7
95.04565	1.1
95.04986	13.3
95.08614	7.4
97.02916	2.6
97.06542	1.9
98.22715	2.3
105.07033	32.6
106.07343	1.5
107.04957	3.3
107.08591	6.6
109.02900	2.5
109.06524	3.2
109.10160	2.5
111.04469	1.3
111.08116	5.5
113.05984	1.1
117.03364	19.0
117.06985	2.7
119.04944	25.2
119.08573	10.3
121.10151	4.7
123.11715	1.5
128.06232	2.2
129.07069	6.0
131.08582	6.7
133.06552	2.1
133.10135	83.8
134.03641	1.4
134.10493	1.8
135.04359	1.8
135.11656	2.4
142.07761	2.4
143.08572	4.0
145.02859	45.5
147.04416	100.0
147.11693	6.1
149.06021	4.1
149.09628	2.8
151.11185	3.6
157.10156	6.1
161.09636	11.7
163.11191	1.2
165.12740	1.5
175.11191	7.1
177.05476	83.3
179.10652	2.6
184.07347	4.1
193.12262	18.2
197.11687	1.8
202.49886	1.2
211.13316	23.5
253.14357	45.8
254.14731	2.0
267.15924	22.3
268.16339	1.9
269.92642	1.1
285.16977	32.2
286.17261	2.4
328.89438	1.2
341.08377	1.2
422.52252	1.5
445.25870	24.0
446.26233	2.2
463.26895	64.4
464.27228	6.4
582.24554	1.4
660.31506	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	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
55.01878	0.9
55.05513	9.2
57.03442	6.6
57.07077	2.1
61.02930	4.0
65.03947	1.4
67.05510	36.9
68.05837	0.8
69.03425	1.2
69.04171	3.8
69.04585	1.6
69.06730	1.1
69.07076	12.3
70.06606	0.8
71.04990	3.7
71.08607	0.9
79.05499	25.4
79.05970	1.3
81.03402	3.4
81.07060	53.7
83.04989	3.9
83.08630	11.1
85.02909	3.3
85.06542	1.6
86.09718	1.1
88.07633	0.7
91.03951	1.2
91.05488	16.2
93.07050	30.7
94.07413	0.9
95.04975	3.7
95.08614	13.1
97.02903	2.1
97.06533	7.1
97.10166	1.1
98.63199	0.7
99.08088	0.8
100.95636	0.6
105.07040	5.9
107.07874	1.1
107.08605	20.4
109.06541	1.4
109.10150	3.0
111.08102	3.8
117.07021	5.2
119.08587	3.0
121.06499	3.3
121.10134	9.0
123.08083	1.0
123.11732	4.4
125.09650	1.2
129.67627	0.6
131.08566	6.0
133.10135	10.7
135.08127	0.8
135.11697	7.1
146.98180	1.7
147.11711	1.5
149.02330	1.6
149.09677	0.7
149.13271	12.5
151.11252	1.9
159.11705	7.3
177.12709	3.5
193.05048	2.2
195.13829	13.2
213.14839	1.9
251.16505	3.1
256.26352	1.4
257.26831	1.0
269.17484	66.8
270.17792	4.6
361.48062	0.8
445.29715	1.1
463.30569	100.0
464.30893	10.6
481.23224	1.3
540.30750	3.4
562.38135	2.3
641.78772	0.7
660.36530	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01867	2.2
55.05515	8.2
57.03439	8.9
57.07079	1.3
61.02939	3.3
65.03942	1.3
67.05507	38.3
68.05843	0.6
69.03432	1.0
69.07071	13.4
71.05002	2.7
71.08640	0.8
73.02923	1.2
76.66582	0.5
79.05495	22.1
80.05860	0.6
81.03427	2.8
81.07059	50.2
82.07396	1.1
83.04977	4.0
83.08617	10.3
85.02888	3.6
85.06556	2.9
88.07642	0.8
91.03951	1.7
91.05482	13.6
93.07045	36.1
94.07365	0.6
95.04966	3.7
95.08611	11.8
97.02897	1.7
97.06535	6.7
97.10153	1.2
99.08100	2.0
105.07026	4.5
107.08595	19.8
108.08911	0.7
109.06535	1.4
109.10167	2.3
111.08074	4.3
117.07029	5.6
119.08588	1.5
121.06492	0.6
121.10152	10.9
123.08087	1.2
123.11696	2.8
125.09666	0.6
127.03928	0.7
130.62212	0.5
131.08568	6.4
133.10139	7.7
135.08049	1.3
135.11676	6.7
147.11678	0.8
149.13260	18.5
150.13643	0.7
151.11220	1.0
159.11697	7.3
160.12041	0.7
166.27042	0.5
167.14304	0.6
177.12781	3.7
195.13803	10.2
213.14842	2.3
251.16519	1.5
256.26282	0.5
257.26703	0.9
269.17480	57.4
270.17877	3.7
463.30542	100.0
464.30884	12.2
475.69553	0.5
607.34662	1.2
660.35870	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01879	1.3
55.05508	9.1
57.03444	7.6
57.07080	1.8
61.02923	1.9
65.03932	1.2
65.66039	0.8
67.05504	37.0
68.05860	0.9
69.07071	15.1
70.53357	1.8
71.04993	4.2
73.02933	1.6
79.05492	23.4
80.05849	1.1
81.03419	2.0
81.07058	53.7
82.07391	1.2
83.04984	2.9
83.08619	10.9
85.02920	2.7
85.06557	2.7
91.03935	1.1
91.05479	12.4
91.06010	1.4
93.07044	42.4
94.07399	1.9
94.47821	0.8
95.04972	2.5
95.08609	11.9
97.02870	1.6
97.06536	7.4
97.10201	1.1
99.08100	2.2
105.07015	5.5
107.08601	21.2
108.08932	1.0
109.06533	1.9
109.10165	2.1
111.08101	4.8
113.37410	0.7
117.07041	6.3
119.08604	2.3
121.06519	1.4
121.10137	10.7
123.11727	1.6
128.14165	0.8
131.08585	6.2
133.10135	6.8
135.08096	1.9
135.11699	6.3
139.11102	0.8
147.11745	0.9
149.13255	20.2
159.11710	8.2
173.86331	0.9
177.12769	3.7
186.18283	0.9
195.13831	10.5
213.14963	1.4
251.16428	1.5
269.17465	62.8
270.17807	3.1
463.30545	100.0
464.30960	9.7
602.24725	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	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
53.20814	1.3
55.05517	8.0
57.02214	1.3
57.03431	5.4
57.07082	1.7
61.02933	2.9
65.03922	1.5
67.05509	28.9
67.05845	1.0
69.07076	9.1
69.42850	3.0
69.43259	4.7
70.54936	1.4
71.04983	1.9
72.07438	1.4
79.05493	20.0
81.03412	2.1
81.07062	36.7
82.07381	2.1
83.04989	2.4
83.08618	9.1
85.02914	2.4
85.06542	2.9
91.05495	15.2
93.07054	25.4
95.04961	3.1
95.08624	13.7
97.02911	1.5
97.06535	6.2
98.22710	1.8
99.08110	1.4
105.07046	7.7
107.08590	15.5
111.08065	5.7
117.03425	2.4
117.07005	7.7
119.04968	2.5
119.08590	2.2
119.84790	1.5
121.06495	1.9
121.10151	10.0
123.11710	1.8
131.08577	8.2
133.10126	7.5
135.11743	4.4
143.08601	3.0
145.02846	3.3
145.10136	3.2
147.04391	9.8
147.11665	2.2
149.13278	12.7
157.10170	2.0
159.11723	7.3
177.05467	9.3
177.12769	3.1
195.13777	9.0
213.14754	1.8
251.16260	1.4
269.17471	33.0
345.74698	1.4
353.24921	1.4
371.25989	2.6
395.32785	1.4
445.29694	11.4
463.30533	100.0
464.30914	7.4
607.34375	1.9
684.80664	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	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76283	0.7
53.03938	2.0
54.93856	0.6
55.01873	1.1
55.05516	7.9
57.03434	6.2
57.07076	1.4
59.15132	0.7
61.02925	2.2
65.03941	1.7
67.05508	31.1
68.05849	0.9
69.03429	1.4
69.07071	11.6
71.04996	3.0
73.02943	1.0
79.05495	20.8
81.03421	3.4
81.07061	42.9
82.07388	1.1
83.04992	3.9
83.08619	9.7
85.02923	3.7
85.06557	2.0
91.03954	0.7
91.05482	18.0
92.05803	0.9
93.07049	30.7
93.07638	1.6
94.07406	0.9
94.70415	0.7
95.04977	2.5
95.08603	13.8
96.82545	0.6
97.02877	1.5
97.06527	5.8
97.10176	1.6
99.08079	1.0
104.81490	0.6
105.07031	7.6
107.04969	1.2
107.08601	18.2
109.06519	2.6
109.10166	3.1
111.08072	4.1
114.83926	0.8
115.05474	1.0
116.06206	0.8
117.07014	6.9
119.08582	4.8
121.06499	1.8
121.10145	10.3
123.08053	1.0
123.11717	3.1
125.09623	0.9
127.03835	0.7
129.07005	1.7
131.08580	7.8
133.10136	10.4
135.08063	1.6
135.11703	5.2
141.07014	0.7
143.08585	1.6
145.10159	2.5
147.11714	2.2
149.09637	1.3
149.13278	10.0
151.11201	2.1
155.08649	0.8
157.10133	1.6
159.11729	6.6
171.11729	1.5
173.13272	1.5
177.12694	1.6
184.07368	0.7
185.09575	0.6
185.13216	1.0
187.15009	0.7
195.12012	1.2
195.13768	7.6
213.14832	0.9
228.87747	0.8
251.16428	1.6
267.15915	1.0
269.17477	32.2
270.17847	1.5
273.97495	0.7
275.20160	1.3
353.24878	2.2
371.25800	1.5
389.27121	1.2
417.29880	1.6
435.31476	1.1
445.29517	13.5
446.29681	1.5
463.30560	100.0
464.30981	9.3
576.56787	0.8
607.34503	2.1
608.34943	0.7
661.31573	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	660.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
54.92701	0.8
55.01870	3.3
55.05518	15.1
56.05854	1.1
57.03434	2.4
57.07071	3.0
65.03941	2.2
66.60479	0.8
67.05511	51.8
69.06731	1.4
69.07075	17.9
71.04999	3.9
71.08636	1.9
75.04464	1.2
79.05499	20.9
80.05837	1.5
81.03422	1.8
81.07063	77.9
82.07391	1.9
83.04971	3.2
83.08623	10.5
85.06547	8.2
89.06041	1.6
91.05481	16.5
92.05830	1.0
92.24656	0.8
93.07056	17.4
94.07400	1.1
95.04971	4.9
95.08613	51.0
95.74203	0.9
96.08929	2.2
97.06537	4.2
97.10169	3.1
98.22549	1.4
98.98457	1.7
99.08094	3.5
105.04553	1.1
105.07043	15.0
106.07388	1.2
107.04955	2.1
107.08598	9.4
108.08897	0.8
109.06509	3.4
109.10160	9.7
111.04424	1.1
111.08098	2.2
117.07040	2.6
119.08584	12.9
121.06483	1.1
121.10166	8.2
123.08093	1.8
123.11705	5.2
125.09604	1.6
129.07040	1.0
131.08592	5.3
133.08589	1.2
133.10150	7.4
135.08144	1.2
135.11699	4.9
137.09651	1.2
137.13269	2.1
143.61996	1.0
145.10159	4.1
147.11691	10.3
149.09619	1.8
149.13248	2.4
151.11195	1.5
153.09052	0.9
155.01064	0.9
155.08542	1.3
157.10104	1.7
159.11729	2.2
161.09557	0.8
161.13298	2.5
163.11171	2.5
163.14836	1.1
165.12746	4.1
169.10150	0.9
171.11707	1.4
173.13214	1.7
175.14847	1.1
177.12660	0.9
179.14445	0.8
183.11748	0.8
183.13802	1.1
185.13193	1.1
189.12685	1.0
206.12323	1.0
208.16975	7.1
217.72993	0.9
226.18028	5.1
239.17990	1.0
259.20596	1.9
263.23679	2.3
275.20062	7.9
276.20386	4.2
277.21664	3.3
288.88083	0.8
290.47781	0.9
291.19464	1.2
293.21118	1.7
294.21558	1.1
306.14661	3.6
306.27783	1.0
333.24265	1.0
335.25784	2.5
336.26303	1.4
337.27371	2.3
349.23703	3.2
350.23615	0.9
351.25092	2.0
362.17020	1.3
380.18442	5.3
385.21243	1.0
519.40497	100.0
520.40784	14.8
624.43591	1.4
625.44421	1.3
642.41150	8.3
643.41864	1.1
660.44543	2.4
661.46265	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	660.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01864	5.0
55.05515	19.9
57.03435	8.5
57.07072	1.3
61.02921	2.5
65.03934	1.9
67.05508	51.5
69.03422	1.5
69.07072	17.7
70.32309	1.5
70.32622	1.8
71.00269	1.2
71.04989	5.0
73.02909	2.5
76.28284	1.3
78.54239	1.0
79.05499	34.0
79.05962	1.7
79.52225	1.2
81.03417	29.0
81.03864	2.2
81.07062	71.7
82.07396	1.6
83.04981	10.1
83.08624	18.7
85.02901	4.2
85.06552	2.1
86.09678	1.2
91.03952	1.2
91.05486	27.2
93.07049	44.7
95.04969	14.7
95.08610	19.3
96.05301	1.1
96.25772	1.0
97.02883	2.9
97.06538	10.0
97.10181	7.9
99.08093	2.5
105.04530	1.2
105.07032	19.9
107.04944	5.6
107.08595	26.1
109.06513	3.2
109.10155	5.3
111.04442	4.1
111.08076	7.7
117.07018	9.3
119.08598	10.6
121.06512	5.2
121.10145	14.5
123.08064	6.6
123.11698	3.2
125.09635	6.5
129.07018	3.1
131.08554	12.1
133.10126	14.4
135.08058	3.5
135.11697	7.7
137.09595	1.9
143.08548	3.2
145.10173	5.4
147.08058	3.1
147.11702	4.2
149.09642	3.6
149.13254	11.9
151.11224	2.6
153.09111	1.2
157.10141	4.9
159.11713	6.8
161.09586	1.3
163.11205	4.6
169.10172	1.4
171.11679	1.6
175.11162	3.4
177.12773	3.8
181.12204	2.7
189.11217	5.3
193.12267	7.4
195.13823	14.0
213.14821	1.3
219.13728	1.6
223.13329	1.5
227.12799	4.6
231.13773	1.2
249.14819	1.6
251.16383	2.1
267.15891	28.1
269.17474	58.1
270.17825	3.3
273.18469	8.5
291.19513	16.1
294.90109	1.0
309.20554	2.9
328.00201	1.2
347.22153	2.7
365.23358	7.7
383.24200	4.5
433.25494	1.7
447.27957	1.6
463.30557	100.0
464.30927	14.9
465.29929	1.8
539.33374	2.5
557.34613	16.3
558.34845	2.3
575.35699	10.9
576.35779	2.0
661.31573	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	660.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90380	3.3
55.01903	3.9
55.05512	27.3
57.03440	15.7
57.07076	38.7
67.05503	83.0
67.05840	5.9
69.05469	23.6
69.07081	23.8
71.04981	4.5
71.08630	35.2
71.22726	3.6
79.05495	21.7
81.07047	69.1
83.04965	5.5
83.08629	24.7
85.10172	17.2
88.11268	7.4
91.05480	20.6
93.07042	33.7
95.08612	44.6
97.06551	7.4
97.10178	15.2
98.23458	6.5
98.98484	15.6
99.08101	4.6
105.07041	13.9
107.08595	21.7
109.06503	5.2
109.10154	50.7
111.08093	6.2
117.07027	9.0
119.08595	14.5
121.10171	11.4
123.11739	6.7
125.09647	8.9
131.08653	4.2
133.10126	5.5
135.11702	3.9
143.90094	3.3
147.11662	4.5
149.13263	10.1
151.11119	3.6
155.01042	14.3
159.11639	4.3
161.09694	3.8
163.11131	3.8
168.22624	3.8
173.11736	12.1
177.12772	10.0
195.13812	5.5
227.12773	19.0
229.14339	56.6
251.16521	8.4
269.17453	29.3
277.21646	16.8
291.19644	5.8
295.22757	4.5
313.27338	100.0
314.27679	6.1
335.25653	4.9
351.25345	21.0
361.76785	4.1
369.26382	9.4
467.37384	35.6
468.37622	4.8
507.40292	39.3
508.40958	6.6
589.47943	15.8
599.23633	3.9
604.38934	3.9
607.49274	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	661.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.9
69.32290	2.6
79.01866	1.1
81.03418	1.3
81.06992	0.4
85.02917	0.4
97.02892	0.9
109.02847	0.7
121.06502	0.6
123.04417	0.7
125.02311	0.7
127.03933	0.9
137.05978	0.9
139.03876	0.7
143.03435	0.6
149.05977	0.7
150.03094	1.2
151.03903	1.4
153.01826	23.8
153.02794	0.9
154.02174	0.4
167.03386	3.5
171.02873	1.8
177.05438	0.8
178.02670	0.5
181.04962	0.7
203.03419	0.5
205.04930	0.7
215.03436	0.6
223.69019	0.5
229.04922	0.8
230.05704	0.6
233.04417	1.6
243.02950	1.0
244.03589	0.6
257.04443	1.3
258.05228	2.4
259.05951	0.9
261.03906	3.6
264.49304	0.4
269.04440	0.5
273.03864	0.5
286.04733	1.3
287.05545	1.1
289.03433	3.5
297.06091	1.9
301.03207	0.9
303.04990	1.7
304.05737	1.6
315.04703	0.8
317.02917	10.0
318.03537	1.4
331.04501	4.4
331.17453	0.5
332.05249	33.5
333.05817	4.2
347.07605	100.0
348.07883	6.7
433.43900	0.4
487.08313	0.7
499.08444	1.2
661.13385	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03944	0.2
53.78555	0.1
54.85950	0.1
63.02349	0.7
65.03941	2.0
66.34357	0.1
67.01870	0.3
73.18690	0.1
77.03951	0.1
78.04729	0.4
81.03419	0.5
89.03925	7.8
90.04299	0.2
91.05489	15.0
92.05820	0.4
95.04976	0.2
103.05468	0.3
106.04200	0.4
109.02882	2.5
117.03390	20.9
118.03743	0.4
119.04952	29.6
120.05288	0.8
127.03927	0.9
134.03654	1.4
135.04431	1.4
145.02859	42.4
146.03195	1.7
147.04417	100.0
148.04761	4.5
149.05988	5.9
150.06303	0.3
158.05981	0.2
162.03131	0.2
163.03935	0.4
177.05478	75.7
178.05807	3.0
186.05493	0.8
229.77914	0.2
230.89485	0.1
248.70761	0.1
259.09583	0.2
273.07578	1.6
285.07654	0.2
303.08612	0.2
316.50571	0.1
320.39706	0.1
408.30063	0.1
661.34332	0.2
683.69635	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	661.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47686	0.2
55.55090	0.3
63.02391	0.5
63.89887	0.3
65.03934	1.7
67.01868	0.3
70.44556	0.7
77.00323	0.2
78.04725	0.4
79.05510	0.3
81.03434	0.4
89.03349	0.4
89.03912	7.5
91.05479	13.4
92.05795	0.3
106.04179	0.5
109.02876	2.7
111.33794	0.2
117.03378	18.1
119.04942	28.3
120.05277	0.6
127.03914	0.6
129.04462	0.3
134.03654	1.1
135.04413	0.6
136.53641	0.2
145.02847	37.9
146.03159	1.2
147.04407	100.0
148.04733	2.9
149.05988	5.8
161.75433	0.3
163.04033	0.3
177.05467	74.1
178.05818	2.9
186.05441	0.5
259.09775	0.4
273.07538	1.7
296.01889	0.3
428.35205	0.3
656.93689	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	661.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01368	0.2
50.01605	0.3
53.03947	0.5
53.96465	0.2
54.26881	0.2
54.82208	0.2
55.01870	0.3
58.88523	0.2
61.70052	0.2
63.02374	0.6
65.03931	2.2
67.05509	0.2
67.75844	0.2
68.68295	0.2
69.69637	0.2
71.02381	0.2
73.67612	0.2
75.23121	0.2
75.80262	0.2
78.04729	0.4
79.05504	0.4
81.03429	0.6
81.07073	0.2
83.19439	0.2
89.03922	8.7
91.05486	15.4
92.05838	0.4
92.17979	0.2
93.03414	0.2
93.07043	0.3
95.04991	0.5
103.05493	0.5
105.03352	0.3
106.04174	0.7
107.04953	0.5
109.02888	2.5
109.10206	0.2
117.03385	21.0
118.03728	0.6
119.04948	29.5
120.05295	0.8
121.06520	0.7
123.04441	3.5
127.03936	0.7
131.04913	0.5
132.05667	0.3
133.06493	0.3
134.03627	1.5
135.04443	1.1
137.05969	0.3
139.03906	4.6
145.02855	41.4
146.03189	1.4
147.04413	100.0
148.04742	3.0
149.05983	6.8
150.06337	0.3
151.03955	1.0
154.31462	0.2
158.06018	0.3
160.05171	0.2
161.05927	0.3
162.03072	0.4
163.03957	0.5
163.07608	0.2
165.05511	0.4
167.07031	0.9
175.07547	0.3
177.05473	80.3
178.05803	3.0
179.07062	0.3
180.07892	0.2
181.04990	1.3
182.05243	0.3
186.05519	1.0
189.05499	0.2
191.06999	0.6
192.07829	0.7
207.06451	0.3
209.08073	0.5
230.00444	0.3
233.08090	0.9
259.09628	0.3
263.09207	0.3
273.07614	2.0
303.08475	0.4
309.07565	0.3
323.09409	0.2
327.12085	0.2
353.10172	0.9
354.10757	0.3
385.12842	1.0
411.14468	0.3
415.13913	0.2
417.15424	0.4
490.18558	0.2
554.69977	0.2
595.20911	0.3
605.09711	0.2
661.20349	0.4
661.31116	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	661.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
59.02472	0.4
63.02378	0.7
65.03951	2.0
67.05513	1.1
69.01728	2.1
69.02164	1.7
69.07089	0.5
79.05492	1.0
81.03417	2.4
85.02956	0.5
86.09718	1.5
89.03922	6.6
91.05489	15.2
93.07056	0.9
94.61333	0.5
95.05015	0.8
95.08619	0.6
96.52422	0.4
105.07043	1.5
106.04189	0.5
107.08559	0.8
109.02890	2.4
115.05476	0.4
117.03390	18.1
117.71188	0.4
118.03729	0.8
119.04955	28.4
119.08579	0.6
120.05294	0.9
120.64536	0.4
121.06455	0.8
123.04343	0.4
124.99982	0.9
127.03936	0.7
131.08562	0.6
133.10162	1.6
134.03635	1.3
135.04405	0.8
145.02855	38.0
146.03203	1.1
147.04417	100.0
148.04726	3.0
149.06003	5.8
177.05479	73.2
178.05809	2.4
184.07358	4.0
186.05467	0.7
211.13287	1.0
222.76064	0.5
253.14432	1.4
254.14731	0.6
267.16125	0.5
273.07550	1.4
278.04074	0.5
285.16870	1.3
463.26624	0.8
464.26929	0.7
467.93149	0.5
661.31146	1.6
694.14508	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	661.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86203	0.3
63.02382	0.8
65.03932	1.8
67.05507	0.5
78.04736	0.4
81.03403	0.3
81.07049	0.5
89.03433	0.2
89.03917	7.4
91.05484	14.4
92.05831	0.4
93.07036	0.6
98.22616	1.4
103.05462	0.4
104.17551	0.3
109.02865	2.3
117.03384	17.5
119.04951	28.5
120.05289	1.1
121.06486	0.4
127.03940	0.6
127.42904	0.3
134.03633	1.0
135.04419	1.0
135.78546	0.3
145.02853	36.3
146.03241	0.9
147.04414	100.0
148.04764	3.5
149.05981	5.5
159.88571	0.4
177.05478	71.4
178.05806	3.1
186.05513	1.1
230.36642	0.4
273.07532	1.5
299.37918	0.3
439.85873	0.4
499.26511	0.4
661.31940	9.3
662.31750	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	661.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65681	0.4
58.91505	0.4
67.05504	0.6
71.05045	0.5
75.54481	0.5
79.05515	1.1
81.07073	1.0
83.04980	0.4
86.09698	0.7
91.05510	0.9
93.07101	1.0
95.08634	0.6
98.22571	1.1
101.16546	0.5
121.10131	0.7
135.11719	0.6
147.04446	0.9
163.11180	0.5
173.30696	0.5
184.07320	1.0
199.39140	0.5
243.08330	0.9
244.01819	0.5
297.32248	0.6
308.93872	0.5
413.23132	0.7
443.24170	4.2
464.31332	0.6
499.26459	3.0
525.88440	0.6
541.58057	0.6
628.14276	0.6
633.32623	1.6
661.31915	100.0
662.32129	12.4
672.84662	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	661.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.8
53.03937	6.9
55.01866	7.3
55.05513	19.0
57.07093	2.2
65.03932	5.4
67.01867	2.6
67.05505	47.9
68.99786	32.2
69.00141	3.3
69.03420	5.9
69.07069	18.8
69.15538	13.7
70.47909	1.7
71.01356	3.7
71.04983	4.4
75.15498	1.7
79.05064	3.5
79.05499	41.9
81.03423	69.6
81.06586	2.9
81.07059	45.7
82.07392	2.5
83.04980	8.4
83.08633	17.1
85.06538	2.1
86.09699	5.3
87.00791	2.2
91.05486	38.6
93.07043	39.0
93.07632	2.8
93.61272	1.8
95.04969	56.3
95.08605	33.6
97.02919	4.9
97.06529	19.5
97.10172	5.9
98.98979	2.0
99.04433	2.2
105.07032	32.8
107.04949	18.5
107.08601	23.5
109.06514	12.5
109.10152	17.3
111.00806	64.1
111.04460	13.8
111.08102	10.7
113.05983	2.3
115.05493	2.0
116.07587	2.0
117.07018	8.3
119.04951	2.2
119.08586	21.9
121.02870	10.1
121.06520	15.9
121.10130	30.9
122.10516	2.4
123.04436	9.5
123.08073	6.8
123.11684	5.6
124.99986	4.0
125.06010	5.8
125.09583	4.0
127.03902	23.8
128.06200	3.3
129.07019	11.9
131.04938	3.2
131.08565	28.0
133.06490	17.9
133.10126	17.8
135.04433	3.3
135.08052	8.0
135.11681	16.9
137.05978	18.4
137.09624	6.9
139.03902	58.2
139.07544	4.1
139.11194	2.2
140.04265	2.0
141.05464	3.2
141.07019	2.8
143.08548	8.6
145.06522	5.5
145.10130	14.6
147.04384	4.5
147.08064	21.4
147.11679	14.4
149.06013	3.5
149.09631	7.8
149.13264	5.6
151.07596	2.6
151.11221	2.6
153.05470	5.6
153.09169	2.8
155.03368	5.0
155.08594	2.7
157.05014	4.1
157.06519	5.8
157.10138	5.9
159.08072	4.2
159.11668	5.0
161.09572	2.9
161.13202	4.0
163.03915	20.5
163.07585	4.1
163.11263	2.2
165.05499	4.5
165.09077	3.0
167.07071	2.8
167.10774	2.8
169.10115	3.8
171.08055	3.0
171.11707	4.3
173.09621	4.8
173.13269	2.8
175.07553	2.8
175.11127	2.5
177.05434	2.8
177.09061	2.2
177.12689	2.8
179.07074	4.7
179.10675	4.2
181.04958	10.1
181.08559	4.5
181.10028	2.7
181.12320	3.7
184.07332	18.3
185.09665	2.8
185.13245	3.1
187.11217	3.8
189.05482	3.1
195.10118	3.5
195.13878	2.9
199.05992	2.4
199.11165	2.7
199.13184	2.0
201.09167	2.8
203.17953	2.4
205.05006	2.7
207.06560	10.4
209.11690	7.4
213.16425	5.0
215.07072	5.0
215.10670	2.7
217.08533	2.9
223.13268	13.2
225.07581	4.2
233.08087	4.4
233.11670	3.1
235.13231	4.3
237.14943	5.2
243.08592	2.8
249.18492	12.9
251.16423	4.6
259.09634	8.1
273.11206	7.4
275.12827	3.8
277.10721	3.6
291.19547	4.6
303.19675	3.8
305.21021	4.8
315.19562	20.8
316.19742	2.5
317.21121	38.5
318.21255	3.9
327.19666	4.4
333.20609	100.0
334.21124	10.4
335.22131	47.0
336.22644	5.2
341.21152	4.2
343.22678	6.1
349.23682	14.0
359.22263	3.2
361.23807	6.9
369.24219	3.0
375.25378	3.7
383.25778	3.2
385.23639	7.8
387.25354	8.7
401.26929	22.2
403.24802	4.1
411.25293	5.1
427.28357	6.3
429.26251	4.3
445.28943	2.4
463.28314	7.4
481.29568	12.1
487.28552	2.9
499.30048	3.1
505.29465	3.1
529.29578	2.1
563.33453	6.4
571.30261	8.0
572.30579	3.0
581.34662	3.9
589.31683	25.8
590.31720	4.9
607.32623	38.5
608.32971	5.9
625.33685	17.4
626.34448	2.6
643.34668	12.0
661.32300	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	661.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.7
53.03946	6.5
55.01867	7.1
55.05512	21.6
57.07067	3.6
60.08139	2.0
65.03928	9.2
67.01849	3.7
67.05509	59.9
68.05827	3.0
68.99792	41.5
69.03423	7.6
69.07066	24.5
69.07413	2.3
69.27788	3.8
69.28188	8.7
71.01353	2.9
71.04996	4.9
79.05062	3.6
79.05495	50.0
81.03420	92.1
81.06586	4.0
81.07059	64.7
82.07388	1.9
83.04993	9.9
83.08627	22.6
85.02914	5.4
85.06551	3.4
86.09698	5.8
87.15647	2.0
91.05485	48.8
93.07044	47.6
95.01325	4.1
95.04971	65.3
95.08610	53.1
97.02896	8.4
97.06533	24.1
97.10193	7.2
98.22517	4.2
99.04476	2.6
105.07032	38.4
107.04961	32.6
107.08598	30.0
109.02877	3.8
109.06514	13.5
109.10156	25.7
111.00029	4.3
111.00809	85.2
111.04446	16.1
111.08091	15.1
112.01155	2.2
113.06021	4.4
115.05510	3.8
117.07010	19.0
119.04937	4.0
119.08579	22.1
121.02863	21.4
121.06502	19.3
121.10147	41.6
123.04439	7.8
123.08038	9.6
123.11723	7.6
124.99995	3.5
125.06020	6.8
125.09636	6.8
127.03913	33.0
128.06319	2.0
129.07013	14.7
131.04941	4.1
131.08571	34.8
133.06497	18.9
133.10129	21.9
135.04433	4.1
135.08070	12.5
135.11694	25.0
136.07553	2.7
137.05975	23.7
137.09587	8.0
138.09120	3.4
139.03906	66.2
139.07513	5.4
139.11185	2.9
140.04286	2.8
141.05508	3.0
141.06978	3.9
143.08566	8.1
144.04443	2.0
145.06479	7.1
145.10123	20.8
147.04427	3.9
147.08041	29.3
147.11681	12.3
149.06020	6.8
149.09608	11.4
149.13307	9.2
151.03891	4.5
151.07561	4.7
151.11209	5.9
153.05472	8.6
153.09105	4.6
155.07053	3.1
155.08571	5.5
157.05000	5.1
157.06496	4.0
157.10167	8.8
159.08017	4.7
159.11696	7.7
161.06047	3.2
161.09628	6.4
161.13239	7.4
163.03914	25.8
163.07599	3.6
163.11197	3.6
165.05495	8.8
165.09085	3.5
166.08675	3.3
167.07043	4.5
167.08519	2.1
167.10672	4.7
169.08743	2.3
169.10143	7.8
171.07953	2.8
171.10178	1.8
171.11703	5.9
172.03893	5.7
173.06099	2.6
173.09657	7.8
173.13260	4.8
175.07578	3.1
175.11160	4.7
177.05501	5.5
177.12831	2.8
179.07033	6.2
179.08536	2.0
179.10518	2.1
181.04991	11.1
181.08630	4.1
181.10110	3.9
181.12219	5.2
183.11737	3.3
184.07341	20.0
185.07794	2.8
185.09531	4.2
185.13335	4.4
187.11211	4.9
187.14832	2.6
189.05482	3.8
189.09071	2.6
189.12720	2.6
191.07085	2.1
191.10818	2.0
195.06517	3.4
195.10202	7.5
195.13718	2.5
197.09634	3.1
197.13229	2.1
199.05971	4.0
199.11194	4.7
203.17960	4.2
204.06587	4.7
205.04980	2.8
207.06552	12.9
209.11623	9.1
211.11253	2.5
213.09204	2.4
213.16415	7.4
215.07030	3.8
215.10698	7.7
221.08156	2.5
221.11653	3.0
221.19035	5.9
223.13245	20.2
225.07640	3.4
231.17447	4.5
233.08141	4.3
233.11542	2.9
235.13210	4.4
237.14906	8.2
241.08566	2.3
243.08704	3.0
247.09692	3.7
249.14929	3.7
249.18501	15.3
251.09154	3.5
251.16591	5.2
257.11761	3.3
259.09760	6.3
267.16046	2.0
273.11206	12.8
273.14157	2.4
275.12830	2.3
277.10706	5.5
289.18109	2.4
291.19568	5.5
299.20178	2.3
303.19617	3.9
305.21115	5.0
315.19586	28.1
317.21136	41.2
318.21619	2.4
325.11804	2.1
327.19681	2.5
333.20609	100.0
334.20975	8.5
335.22159	57.1
336.22501	4.4
336.51993	2.0
341.21066	5.4
343.13068	2.4
343.22855	9.9
349.23776	17.6
350.24335	2.6
359.22284	2.0
361.23691	8.6
369.24368	7.8
379.24750	3.4
383.25598	6.1
385.23737	8.6
387.25293	12.8
401.26849	29.8
402.27020	3.3
403.24817	3.1
403.73843	2.6
421.27298	2.6
427.28455	9.2
429.26266	7.1
431.27945	3.3
445.28677	3.2
463.28220	8.5
481.29434	19.4
499.30225	4.0
506.19064	5.7
529.29535	2.3
545.32416	2.6
547.29907	2.7
563.33752	8.6
571.30298	7.3
581.34460	5.3
589.31537	34.2
590.32007	7.0
607.32635	44.5
608.32745	8.1
625.33667	24.6
626.34229	5.6
643.34747	14.9
644.34778	3.0
661.34509	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	662.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03938	1.0
55.01877	0.5
57.03436	0.5
69.03435	3.0
71.30901	0.4
77.93599	0.3
79.01855	3.4
81.03423	7.0
85.02914	2.5
91.05439	0.3
97.02901	6.0
99.04454	0.8
103.05464	0.5
107.01334	2.0
109.02888	6.0
121.06496	1.1
125.02352	3.4
127.03915	7.7
131.04855	0.3
135.04501	0.3
135.42805	0.3
137.06009	0.4
143.03400	4.8
145.02821	0.3
145.04964	1.5
151.03906	0.3
153.01834	100.0
153.02866	5.0
154.02142	2.4
157.04961	0.3
167.03409	3.4
169.05031	0.5
171.02898	14.8
177.05515	0.6
184.16295	0.3
189.09149	0.7
219.42662	0.3
237.04060	0.4
297.06055	8.8
299.01837	0.5
314.13922	0.5
315.07095	9.1
316.02179	0.5
316.07462	0.4
331.04480	1.3
401.06335	0.4
475.08780	0.8
488.37643	0.4
640.26123	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	662.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.00296	0.2
53.03956	0.7
55.01870	0.4
55.05514	0.9
57.03446	0.3
61.02921	0.2
68.99754	0.2
69.03432	2.2
69.60714	0.7
71.04987	0.3
71.51892	0.1
73.02921	0.3
75.80100	0.1
76.46499	0.1
76.65675	0.2
79.01855	3.2
81.03419	7.6
81.07067	0.2
82.06567	0.3
83.08626	0.6
85.02906	2.9
87.00834	0.2
94.04156	0.2
97.02280	0.3
97.02895	5.7
99.04456	0.8
100.07616	0.2
100.11259	2.7
101.11591	0.3
103.03903	0.2
103.05441	0.3
107.01318	2.0
108.04485	0.3
108.62832	0.1
109.02881	4.7
110.06036	0.2
111.04441	0.3
112.07601	0.2
119.61057	0.1
121.06502	0.2
122.03670	0.3
123.00802	0.2
125.02348	3.1
127.03925	6.8
128.06236	0.3
128.07071	0.3
129.07005	1.4
131.04939	0.4
135.00772	0.3
135.24464	0.1
137.05984	6.0
138.06367	0.1
139.03938	0.2
139.07632	0.2
139.08670	0.3
143.03409	4.4
145.04980	1.2
151.07523	0.2
153.01833	100.0
153.02826	4.6
154.02158	2.7
157.06493	1.3
158.07190	0.1
160.05072	0.2
161.05870	0.2
161.09680	0.2
163.03807	0.1
163.07524	0.6
171.02887	11.9
172.03313	0.4
174.06808	0.6
175.07530	1.3
177.05493	0.2
182.15411	1.4
184.92317	0.1
187.07552	0.3
188.26491	0.2
189.09117	4.3
190.09373	0.2
191.10664	0.3
201.09114	0.3
202.01834	0.1
207.03120	0.2
207.10138	1.2
209.16479	1.0
210.14983	1.3
211.15126	0.2
219.10158	0.4
226.19127	0.2
233.04346	0.2
237.03966	0.3
255.05112	0.3
297.06061	7.5
297.11285	0.3
298.06421	0.4
313.14288	0.5
315.07114	8.1
315.12531	0.4
316.07446	0.3
326.27884	0.3
336.22760	0.4
403.15442	0.2
435.33389	0.3
436.31769	0.3
452.35815	0.4
453.36386	0.2
495.89117	0.2
562.40375	0.2
644.59937	0.2
661.50275	1.6
662.50427	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	662.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25531	0.5
71.30499	0.5
71.30838	0.6
73.02914	0.5
79.01862	3.3
79.83192	0.4
81.07048	1.0
85.50494	0.5
89.03903	0.6
89.59688	0.4
91.05473	1.8
93.07037	0.8
95.04955	0.7
97.02880	1.0
103.05441	3.4
105.07026	1.1
107.01313	0.5
107.08627	0.9
117.03383	0.7
117.06982	0.7
119.04947	1.5
121.06510	1.9
121.10148	0.8
122.03642	0.7
123.04454	2.7
124.04752	0.5
125.02328	1.8
128.06206	1.6
129.06989	0.9
130.13860	0.5
131.04935	6.9
133.06590	0.9
135.04420	0.6
136.07574	1.0
137.05977	10.2
139.03870	1.1
143.03415	4.7
143.08553	2.0
145.02850	1.7
147.04411	3.2
149.05997	0.8
149.09558	0.7
151.03905	2.1
151.07576	1.4
153.01833	100.0
154.02168	2.0
157.06416	0.7
161.06003	1.0
163.07549	16.6
164.07866	1.0
169.53748	0.5
171.08067	2.5
174.06685	0.6
175.07541	4.3
177.05481	3.6
177.09131	2.7
178.06285	0.6
189.09126	1.9
201.05545	3.5
203.10754	2.0
221.05954	1.1
221.09584	0.6
223.07492	0.5
225.09142	0.9
234.06708	1.1
249.09154	0.8
253.08650	0.7
253.12238	0.9
262.06396	1.1
269.08054	0.7
277.08575	0.8
285.11203	1.3
286.11810	0.5
290.05719	1.0
301.07559	0.5
301.10764	1.2
303.23080	1.3
305.08005	2.6
313.14368	3.3
325.10703	1.3
327.08664	0.8
331.15494	1.1
337.10638	4.6
341.10135	0.5
353.10184	0.7
355.11639	1.6
359.11212	1.6
373.12839	4.8
405.51608	0.5
464.16855	0.6
483.16507	14.2
484.16992	1.9
495.16534	0.6
505.86453	0.5
524.33765	0.6
600.84656	0.6
662.19861	5.2
663.22406	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	662.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.00052	0.2
53.03940	0.3
55.01874	0.3
57.03439	0.3
61.02927	0.7
65.03941	0.4
66.04732	0.3
67.05507	0.2
69.03430	1.6
70.45457	0.4
71.04974	0.2
72.31059	0.1
73.02905	0.3
77.03920	0.3
79.01860	1.0
79.05501	0.8
81.03416	0.8
81.07051	0.5
85.02905	4.9
91.03946	0.2
91.05483	1.0
94.04185	1.6
95.04983	0.2
97.02892	2.1
99.04465	0.3
103.02197	0.1
103.05461	1.2
107.01335	0.2
107.04944	1.0
109.02890	0.7
109.06507	2.1
110.58701	0.2
115.05452	1.4
117.06994	0.3
119.04983	0.2
122.03642	3.6
123.04440	0.2
124.05213	0.2
125.02358	0.6
127.03942	0.8
127.05441	0.2
128.06223	4.2
129.07002	21.9
129.32700	0.1
130.06444	0.2
130.07294	0.8
131.04924	2.5
131.08554	1.1
133.10069	0.2
137.05974	67.6
138.06322	2.2
139.07520	0.4
143.03413	1.1
143.04910	1.2
143.08543	0.2
144.05663	0.4
145.02946	0.2
145.04947	0.7
145.06479	0.5
146.03642	0.3
146.07233	0.6
147.04408	0.3
151.03969	0.2
151.07550	0.5
153.01831	13.3
153.02905	0.9
154.02199	0.5
155.06055	0.6
157.06490	23.9
158.07126	1.9
159.04417	0.5
160.05208	2.0
161.05980	1.1
161.09618	0.5
163.07526	1.4
171.02843	0.2
174.06763	10.1
175.07549	6.8
176.07976	0.3
177.05408	0.2
178.05807	0.1
180.08694	0.4
187.07533	0.4
189.09102	100.0
190.09439	3.9
211.07533	0.3
219.10097	0.2
221.09555	0.3
240.07712	0.2
249.09023	0.2
271.09711	0.8
281.11676	0.8
303.05139	0.2
313.14319	5.0
314.14594	0.3
361.08786	1.2
531.83386	0.2
648.59229	0.2
663.13171	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	662.358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.3
60.08165	0.5
60.17992	0.2
61.01159	1.1
63.97878	0.2
67.05501	0.4
69.07055	0.3
70.06596	100.0
71.06926	1.4
71.07352	0.7
79.05512	0.2
86.09709	48.6
86.24067	0.2
87.10049	0.6
91.05477	0.3
98.06062	1.3
98.98473	0.3
104.05334	3.1
104.10712	0.3
114.09126	0.3
120.08115	2.2
125.00007	1.9
146.06340	1.8
166.08678	1.1
174.05824	0.8
183.14937	29.9
184.07350	8.5
184.08948	0.5
184.15236	1.1
200.02115	0.2
211.14423	29.3
212.14799	1.0
229.15460	0.3
232.32321	0.2
279.17020	4.7
287.14215	5.4
296.23215	0.4
324.22739	1.0
356.19952	0.5
358.21133	0.4
376.22318	32.1
377.22647	2.4
384.19513	4.9
385.19577	0.4
436.32159	0.2
465.28012	0.6
489.30765	3.0
490.31210	0.3
497.28156	0.3
590.89648	0.3
662.35571	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16924	1.8
53.03942	5.9
55.01879	4.6
55.05517	19.0
57.03448	18.5
59.34745	2.0
61.02922	2.5
65.03929	2.3
67.05513	36.6
69.03422	6.3
69.07067	11.5
70.92454	4.4
71.01353	2.1
71.04998	4.3
79.05498	39.3
81.02988	3.8
81.03427	51.1
81.07060	31.1
83.04990	17.1
83.08619	17.2
85.02906	16.7
85.06530	4.1
89.03928	11.2
90.04257	2.7
91.05485	47.6
91.06017	4.1
92.05820	4.0
93.07050	41.6
95.04976	21.0
95.08609	12.4
97.02895	4.6
97.06539	9.5
97.10147	9.5
99.04529	2.2
105.07037	16.9
106.84966	1.7
107.04950	5.2
107.08601	26.3
109.02898	4.7
109.10159	4.8
111.04435	2.3
111.08082	5.5
111.51780	1.8
113.06033	2.2
115.05505	2.1
117.03400	23.5
117.07002	5.2
118.03719	6.4
119.04949	31.5
119.08577	17.5
120.05294	8.5
121.06538	3.1
121.10143	10.1
123.08080	1.7
125.09538	2.3
129.07037	6.8
131.08560	6.4
133.06505	2.9
133.10135	9.5
135.04456	3.0
135.11697	33.5
145.02852	53.4
145.10118	4.7
146.03192	13.9
147.04419	94.3
147.08093	2.0
147.11700	8.5
148.04755	30.1
149.05972	9.2
149.09618	3.7
150.06387	2.0
157.10127	12.2
163.11214	4.2
175.11226	11.4
177.05476	100.0
178.05833	32.6
181.12225	6.9
193.12241	34.0
198.89162	2.0
199.13278	2.5
211.11273	2.3
211.13310	47.9
212.13681	2.0
248.47791	1.9
255.15938	72.2
256.16309	2.8
264.07736	1.9
267.15924	24.6
285.17017	26.0
313.43109	2.2
447.27444	58.0
448.27670	5.4
465.28503	84.1
466.28625	7.3
662.32129	3.2
663.33813	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44033	1.0
53.03942	3.5
55.01881	3.0
55.05515	13.4
57.03443	8.0
57.07085	3.3
65.03945	1.3
67.05511	47.1
69.07074	15.5
71.04996	1.9
79.05499	35.5
79.83330	1.0
81.03423	2.5
81.07062	72.6
81.76659	1.0
82.07402	1.7
83.04978	3.0
83.08623	9.1
85.06564	1.9
87.04485	3.5
91.05487	25.4
91.06022	2.0
92.32090	1.1
93.07050	29.9
95.04988	7.9
95.08608	32.0
97.06544	4.8
97.10173	2.2
98.23398	2.0
98.98473	2.5
99.08086	1.9
105.07044	21.2
107.04965	4.2
107.08604	17.7
109.06522	11.8
109.10157	9.4
111.08124	2.4
114.34396	1.3
117.07011	6.8
119.08595	15.3
121.06489	2.6
121.10150	13.5
123.08067	5.1
123.11685	5.9
129.06982	1.3
131.08589	10.5
133.10149	11.6
135.08063	2.0
135.11731	5.9
137.09616	2.4
141.07028	1.4
143.08586	1.9
145.10175	8.0
147.11694	10.7
149.09651	4.2
149.13280	7.5
151.11258	1.2
155.01056	1.5
157.10126	2.6
159.11728	5.6
161.13225	2.9
163.11244	4.2
163.14812	2.4
165.12769	2.0
171.11613	1.2
173.13292	4.0
175.11229	1.4
175.14841	1.4
177.12775	2.2
183.11746	1.7
197.13396	1.2
205.15967	1.6
219.17705	1.1
239.17984	1.5
243.21184	1.2
247.20660	2.7
257.19080	4.6
261.22272	3.9
275.20087	36.3
275.23026	2.4
276.20074	2.1
279.59351	1.1
293.21210	9.4
335.25815	100.0
336.26077	8.5
349.23676	14.2
350.23886	1.6
367.24835	23.1
368.25287	1.7
508.40732	1.2
609.45135	18.6
610.45233	3.6
627.46057	20.2
628.46185	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	35.2
55.21268	8.8
57.07081	30.3
59.78612	9.6
62.58615	8.4
62.63942	8.3
63.02862	8.0
67.05510	95.0
69.07068	27.5
71.08636	9.1
71.29747	8.8
79.05500	59.0
81.03391	12.4
81.07055	87.2
83.04990	10.0
83.08626	25.9
87.04473	100.0
91.05479	37.7
92.05815	11.3
93.07050	68.9
94.07396	11.3
95.04984	27.5
95.08615	57.4
97.10175	12.6
102.22251	8.7
105.07030	41.4
107.08596	28.1
109.06551	12.2
109.10149	36.6
117.07048	17.1
119.08562	26.8
121.06480	14.1
121.10181	24.1
131.08611	13.0
133.10107	18.6
145.10124	22.3
147.11681	13.9
151.11290	10.2
161.13306	10.3
163.11232	26.7
195.00288	17.8
275.20010	32.8
327.07803	14.0
335.25717	22.7
383.13788	10.7
414.30457	10.3
490.36417	16.1
532.41028	16.1
552.61328	9.9
564.43298	26.6
627.45770	30.0
662.45807	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	662.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94708	2.0
52.50798	2.3
52.65646	1.8
53.03939	3.5
55.01866	5.9
55.05512	20.5
57.03431	7.3
57.07067	5.8
67.05508	65.0
68.05855	2.6
68.08083	1.9
69.07076	26.9
71.04992	4.9
79.05499	53.6
81.03426	3.7
81.07060	100.0
82.07398	2.9
83.04982	7.8
83.08627	10.7
85.06536	6.4
86.56882	2.1
87.04478	17.8
91.05480	38.2
93.07053	50.1
95.04944	9.3
95.08611	52.9
97.06537	7.9
97.10190	4.0
98.23485	2.9
99.08064	2.2
102.88937	1.8
105.07030	39.3
107.04963	7.2
107.08592	30.3
109.06528	22.3
109.10159	20.0
111.08060	2.6
117.07059	9.8
119.08585	31.4
121.06513	6.5
121.10156	26.3
123.08064	5.7
123.10893	2.0
123.11662	11.4
128.06213	2.3
129.07047	2.7
131.08582	22.4
133.10135	26.0
135.08060	6.0
135.11707	20.7
137.09618	5.6
139.11214	2.4
142.07863	2.3
143.08592	4.4
145.10112	21.3
147.08032	5.3
147.11694	26.1
149.09610	9.7
149.13223	9.8
151.07587	4.0
151.11185	2.6
155.08528	4.1
157.10130	9.1
159.11652	14.9
161.09563	2.5
161.13263	4.6
163.11156	6.7
163.14833	3.7
165.09128	6.3
165.12814	4.9
169.10182	4.7
171.11693	8.2
173.13260	7.1
175.14809	4.8
179.08714	2.4
179.14328	3.7
183.11690	3.6
187.14833	4.9
189.12720	2.5
195.11708	2.3
195.13712	2.1
196.12634	2.5
197.13321	2.9
203.14342	3.3
207.13744	2.1
221.13412	2.2
221.15369	8.6
229.31378	2.3
239.17963	2.4
243.21149	3.1
247.20526	2.7
257.18918	6.5
261.22198	6.3
275.20071	52.0
275.23022	3.6
276.20380	4.0
277.21628	3.5
293.21115	16.6
294.21570	2.3
312.20953	2.5
335.25812	79.1
336.26132	7.9
349.23734	20.0
367.24826	34.8
421.30966	2.8
565.39606	2.3
609.45282	20.6
627.46039	27.3
628.46167	4.3
663.47748	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	663.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
52.77365	0.2
53.03956	0.2
53.20851	0.2
55.01883	0.8
55.05529	0.5
59.51478	0.2
65.03948	1.3
67.05498	0.8
68.08347	0.2
68.99792	1.4
69.03436	0.5
69.39749	1.3
77.03925	0.3
81.03428	0.4
83.04974	1.1
89.03913	2.0
90.04245	0.2
91.05001	0.3
91.05463	1.6
93.03410	0.8
95.04980	0.7
97.02911	0.6
99.04429	0.4
103.05474	0.4
105.03400	0.8
105.07036	0.4
107.04956	0.3
109.02886	0.7
111.00829	0.4
111.04454	5.2
111.05206	0.4
115.05395	0.4
117.03388	5.0
118.03679	0.3
119.04957	1.6
121.06514	0.5
123.04436	30.9
124.04784	0.7
127.03892	1.2
128.04211	0.3
131.04936	0.3
133.02876	0.4
133.06494	0.6
134.03613	0.4
135.04379	0.8
137.05963	4.1
139.03903	100.0
140.04231	2.5
143.04872	0.3
144.34544	0.2
145.02847	11.7
145.06483	0.3
146.03206	0.9
147.04424	3.9
149.05974	2.5
151.03914	4.1
151.07558	0.8
153.01804	0.7
161.05989	1.4
162.06746	0.9
163.03871	0.7
163.07547	0.6
165.05519	0.4
173.05917	0.5
175.03894	0.5
177.05479	16.8
178.05832	1.8
179.07034	1.1
186.05528	0.3
189.05484	0.8
189.09122	0.3
191.03410	0.3
193.04964	0.3
201.05519	1.4
208.07162	0.3
217.05037	0.3
219.06471	0.3
231.06514	0.8
255.06465	0.4
265.08490	0.3
271.09628	0.4
273.07605	4.9
274.07864	0.3
287.09329	0.2
303.05051	0.3
305.07990	0.4
307.09433	0.5
317.06638	0.3
323.08908	0.3
325.07047	0.2
325.10623	1.0
337.10477	0.5
339.10776	0.5
340.10886	0.9
355.11612	0.8
361.08786	0.5
578.74829	0.3
663.12756	1.6
663.22235	0.4
663.37012	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	663.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
53.97355	0.3
55.01876	0.7
55.05526	1.6
57.03450	1.7
59.37724	0.3
61.02929	3.2
61.10746	0.3
67.05511	5.3
69.03430	3.2
69.07082	1.3
71.01360	0.6
71.05013	0.5
73.02919	2.8
79.05495	6.6
80.05863	0.3
81.03426	3.0
81.07066	4.7
82.07375	0.5
83.04989	1.6
83.08630	1.3
85.02911	3.5
85.06566	0.4
91.03957	2.3
91.05486	4.0
93.07047	5.8
95.04992	1.7
95.08605	2.1
97.02898	3.3
97.06548	1.1
97.10171	0.8
99.04480	0.9
101.02385	1.4
105.07037	3.3
107.04982	0.8
107.08600	2.7
108.08062	0.3
108.08868	0.3
109.02891	0.7
109.06540	1.1
109.10175	1.2
111.08098	0.4
113.06036	0.4
117.07054	1.3
119.08571	2.5
121.06546	0.8
121.10149	1.7
123.08088	0.7
125.09606	0.4
127.03916	1.5
127.07551	0.4
129.07028	1.0
131.08571	1.2
133.06459	0.3
133.10170	1.5
135.08046	0.4
135.11707	3.5
143.08588	1.1
145.10132	1.7
147.08067	0.6
147.11711	1.5
149.09639	0.7
149.13251	0.4
151.07642	0.5
157.10085	0.5
159.11681	0.5
161.09689	0.8
161.13292	0.8
163.11209	1.1
171.11731	1.5
174.84428	0.3
181.12302	1.0
182.70322	0.3
185.04326	0.3
187.41046	0.4
189.12741	0.6
203.05310	0.4
207.13747	0.4
221.11530	0.7
243.08461	1.4
247.13057	0.8
255.15918	0.5
269.17410	0.7
281.17532	0.5
303.15887	0.4
406.30777	0.4
439.19342	7.5
440.19809	0.6
440.91144	0.3
464.31308	0.4
465.20993	7.4
465.31195	0.5
466.21738	0.8
466.31226	1.1
627.86493	0.4
648.53003	0.4
663.33466	100.0
664.33832	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
65.03951	0.8
67.05508	1.3
69.07090	0.5
70.85664	0.6
73.02912	0.5
74.59193	0.5
76.44808	0.6
79.05499	0.7
81.03448	0.7
81.07083	1.1
86.09688	1.0
91.05509	1.4
93.07057	0.8
95.04951	0.6
105.07054	0.7
117.71814	0.6
120.96680	0.7
125.00056	0.8
131.08572	0.5
133.10120	0.7
149.02364	2.9
150.02690	1.0
184.07359	4.1
193.05057	1.2
194.05333	0.6
243.08365	1.0
259.20294	0.6
262.34332	0.5
283.08191	0.5
295.32523	0.5
413.18170	0.6
429.12009	1.1
430.12335	2.0
445.25806	1.9
474.14917	2.3
491.22784	0.7
501.28467	2.6
515.29797	5.4
565.33423	0.6
613.26990	2.8
614.28265	0.7
663.33466	100.0
664.33795	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	49.8
57.07472	1.5
58.07369	0.8
61.81751	0.4
64.90760	0.4
65.03921	0.7
67.05473	0.5
77.03988	1.0
77.31800	0.4
81.07027	1.2
87.04430	0.5
87.30000	0.4
91.05492	6.7
93.07014	0.6
95.04954	0.9
95.08555	0.7
98.22538	0.8
105.07056	2.8
119.08546	1.6
132.09322	1.0
147.11690	6.0
152.06239	1.2
153.07001	3.8
161.13194	0.5
171.07979	1.2
175.01579	0.6
202.76570	0.5
212.76791	0.4
228.09312	0.6
228.89206	0.4
229.10095	1.5
233.03618	5.0
247.60022	0.4
251.04692	16.2
252.04947	0.9
261.10263	0.5
307.10861	2.1
327.07803	100.0
328.08148	6.7
383.14069	83.2
384.14362	8.2
439.20346	71.4
440.20703	7.3
495.26590	83.3
496.26871	8.8
551.32837	98.0
552.33258	14.6
557.59601	0.5
587.94690	0.5
607.39099	61.8
608.39502	10.2
663.45447	11.1
664.45038	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	663.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
57.03427	1.0
57.07081	4.5
60.00774	0.5
67.05510	5.7
69.07077	3.7
70.44821	1.2
71.04994	1.0
71.08285	0.5
71.08640	2.6
79.05505	3.2
81.07055	6.0
83.04987	0.7
83.08628	1.7
85.10188	1.3
87.04491	1.4
91.05503	2.7
93.07043	2.9
95.04992	0.9
95.08611	4.3
97.06570	1.1
97.10179	1.3
105.07050	2.1
107.08608	1.2
109.10195	2.1
119.08610	1.6
121.10172	0.9
123.11751	1.1
131.08562	0.8
133.10161	1.2
135.11639	0.8
145.10184	0.8
147.11690	1.4
149.09544	0.6
149.13210	0.7
205.16322	0.6
232.16232	0.6
251.04839	0.8
269.17487	0.7
275.20197	1.1
313.27475	1.1
327.07797	3.6
337.27380	3.1
351.21390	7.2
367.24667	0.6
383.14044	2.9
407.23965	5.7
408.24710	0.9
411.67957	0.6
439.20587	2.1
495.26895	2.0
531.40430	2.6
551.32642	2.7
565.44556	0.7
607.39294	1.9
663.48004	100.0
664.48413	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	663.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16982	0.6
53.03895	3.1
55.01824	8.4
55.05460	22.0
57.03389	3.4
57.07024	8.9
58.71907	0.7
59.04972	0.7
65.03883	2.0
67.05507	37.8
67.05833	2.3
68.05801	0.8
69.03380	2.3
69.07067	14.7
71.04993	4.0
71.08635	7.8
75.04421	2.2
77.03881	0.9
79.05494	23.6
79.05923	0.9
81.03425	8.2
81.07058	48.0
83.04987	7.4
83.08620	12.7
85.02846	2.1
85.06532	5.1
85.10183	18.0
86.09668	1.4
87.04413	2.3
91.05480	28.4
93.07049	24.4
95.04973	14.0
95.08611	25.0
95.09193	0.8
96.08923	1.0
97.06548	5.6
97.10173	5.3
99.08102	6.6
103.05457	0.7
105.04443	0.9
105.07030	26.1
105.74611	0.7
106.07322	0.8
107.04955	6.5
107.08595	16.9
108.08874	0.9
109.06520	5.9
109.10160	18.4
111.08087	10.7
113.09652	18.1
115.05389	0.8
117.07027	4.4
119.07804	1.0
119.08583	16.5
121.06459	2.0
121.10147	15.6
123.08080	5.8
123.11698	7.0
124.99927	1.0
125.09644	3.5
127.07518	0.7
128.06206	0.8
129.07004	3.6
131.08568	6.5
132.08836	0.8
133.09239	1.0
133.10129	16.2
134.10452	1.2
135.07996	2.1
135.11681	5.2
137.09622	3.2
137.13205	1.8
139.11136	2.0
141.06920	0.9
141.12738	0.9
143.08517	2.8
145.10117	7.1
147.07988	1.3
147.10654	1.0
147.11691	15.3
149.09612	6.4
149.13229	5.2
151.11189	9.8
151.14735	0.8
153.12718	1.5
155.08580	0.7
157.10153	4.0
159.11635	2.6
161.09575	1.4
161.13269	4.4
163.11192	5.1
163.14833	1.3
165.09094	1.3
165.12761	31.9
166.13051	1.5
167.10692	4.3
167.14212	1.2
169.12206	2.9
171.11676	4.5
173.09615	0.8
173.13222	1.8
175.11142	2.9
175.14787	3.9
177.12634	0.8
179.14301	5.2
181.10085	1.0
181.12216	2.5
183.11531	0.8
184.07353	4.5
185.13239	1.9
187.14742	0.8
189.11105	0.9
189.12697	1.4
193.12144	0.8
193.15793	1.4
195.11685	1.3
195.13702	0.8
199.14749	0.8
203.14250	0.8
207.13780	2.2
211.14909	0.7
221.13260	0.8
221.15340	2.4
225.16255	0.8
231.21005	2.5
233.15359	1.2
235.16855	0.7
239.24205	0.7
241.19489	1.8
249.22194	2.4
259.20645	6.0
261.22171	0.8
277.21628	66.7
278.21951	5.0
295.22678	100.0
296.22961	6.0
333.24280	1.2
351.25290	25.3
352.25668	2.2
369.26346	10.6
397.12189	0.7
410.17905	0.7
551.32935	0.8
623.65027	1.1
627.46283	4.2
645.47089	9.2
646.47949	1.9
663.48279	26.2
664.48773	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	664.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.05244	0.4
55.05516	8.1
69.03416	0.4
76.02448	0.3
76.78454	0.4
83.04986	50.1
84.05319	0.8
85.02905	0.8
102.99397	0.4
106.13351	0.3
111.04446	100.0
112.04782	1.7
127.03956	0.5
129.05479	1.8
146.49402	0.3
153.05473	52.1
154.05827	1.1
171.06520	4.0
173.86168	0.3
211.88455	0.3
213.07578	2.4
215.78973	0.3
217.26807	0.3
225.47296	0.3
273.09683	2.5
342.00378	0.4
344.98734	0.4
360.01053	1.6
375.03513	2.1
574.16418	0.3
665.34998	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	664.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
52.22389	0.7
53.03951	3.1
55.05516	11.6
57.03440	9.3
59.04993	1.6
61.02917	2.7
62.00418	0.8
65.03928	2.1
67.05508	71.9
68.05833	1.7
68.99149	7.2
69.03423	2.4
69.07072	11.0
71.01360	2.9
71.05000	16.8
79.05496	32.2
80.05803	0.9
81.03426	4.8
81.07060	25.5
83.04984	6.2
83.08634	5.9
85.02908	3.5
85.06546	3.3
90.24091	0.8
91.03976	1.4
91.05484	17.0
92.05846	0.9
92.89134	0.8
93.07049	37.3
95.04975	4.2
95.08617	11.3
97.02891	1.7
97.06528	9.7
97.10180	9.4
98.23431	1.7
99.04440	0.9
99.08100	1.6
101.85030	0.8
105.07054	3.7
107.04927	1.4
107.08601	24.7
108.08943	1.0
109.06538	1.0
109.10162	44.4
110.10498	1.5
111.08106	2.9
117.07040	4.1
119.08588	10.9
120.08978	0.8
121.06541	1.8
121.10152	6.5
125.09615	2.3
130.69894	0.8
131.08568	1.1
133.10133	3.5
135.08029	1.3
135.11699	40.1
136.12007	1.2
137.09628	6.7
143.08606	0.9
145.10133	8.7
149.02368	3.5
149.09679	0.9
153.12724	1.0
155.10684	1.6
156.32220	0.8
163.11165	5.4
169.12265	1.3
173.11742	6.9
173.42654	0.8
181.12254	6.4
184.07370	0.9
199.13348	2.1
207.13739	0.9
211.13269	1.4
229.14404	1.1
229.42838	0.8
237.14885	1.0
255.15932	19.1
256.16241	1.4
287.18521	6.8
409.25842	51.3
410.26260	5.1
423.27454	7.8
435.27429	100.0
436.27640	10.4
453.21008	3.1
467.23428	1.2
467.30045	25.1
468.30246	4.1
482.13324	0.8
595.03009	0.8
655.54065	0.8
665.18671	1.0
665.35052	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05509	9.5
55.10817	1.7
57.03432	16.7
57.07082	37.0
59.05018	4.1
60.59890	1.7
61.02916	7.3
65.03938	1.9
66.98200	1.7
67.05510	88.4
67.93250	1.7
69.03423	2.4
69.07076	11.8
71.04997	3.8
71.08639	29.0
79.05487	6.9
81.07066	25.1
82.07397	2.3
82.95682	1.9
83.08624	13.0
85.02905	4.8
85.06551	3.6
85.10182	15.8
89.06040	2.6
91.03962	2.3
91.05474	13.3
93.07057	13.9
95.04980	2.0
95.08607	25.6
96.08905	2.2
97.02895	2.8
97.10178	4.7
105.07041	8.6
107.08574	9.1
108.08958	2.8
109.06527	2.3
109.10163	76.6
110.10477	2.7
111.08098	3.7
119.08581	13.3
121.10136	7.4
123.08064	2.4
123.11737	4.8
131.08478	3.8
133.10141	6.1
134.10480	2.1
135.11693	6.1
137.09621	3.9
145.10121	5.5
146.10432	2.0
151.07542	5.0
155.10649	4.0
157.10173	4.4
159.11703	1.9
160.47292	1.8
165.09122	3.4
173.11734	19.2
173.13167	2.4
174.12032	2.0
183.11691	2.8
185.13226	1.8
187.14857	3.1
197.13370	2.5
203.14307	2.0
207.13680	1.9
210.13748	2.7
211.14943	2.7
221.15366	7.9
222.15630	3.0
229.14354	90.2
230.14740	4.9
239.23596	3.3
298.51010	1.7
313.27371	100.0
314.27740	7.2
320.72919	1.8
467.37360	92.4
468.37546	9.2
506.96677	1.8
566.40186	2.5
646.46326	2.2
664.48126	13.6
665.15973	1.9
665.43719	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	664.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.7
53.20378	2.7
55.01878	5.5
55.05518	27.7
57.03442	15.0
57.07079	10.9
67.05511	96.7
69.03423	5.0
69.07071	35.3
71.08660	3.7
79.05499	57.7
81.07062	100.0
82.07405	3.6
83.04994	9.8
83.08633	17.1
85.06554	3.9
91.05485	41.3
93.07047	53.7
95.04970	8.4
95.08614	60.5
95.09171	5.1
97.06543	13.5
97.10188	9.6
98.22621	6.3
99.08112	4.9
105.07043	42.4
107.04987	3.6
107.08591	26.4
109.06560	4.0
109.10175	19.9
111.08125	6.4
113.99713	2.9
117.07013	11.4
119.08582	27.3
120.51909	3.7
121.10140	21.3
123.11691	7.7
125.09670	3.5
129.06985	4.0
131.08582	13.2
133.10150	27.1
135.08101	3.4
135.11717	16.8
145.10165	17.4
147.11722	13.1
149.09660	6.8
149.13306	11.2
151.07518	4.4
157.10095	3.8
159.10559	2.8
159.11734	12.8
161.13246	5.4
163.11180	3.7
169.10146	3.0
173.13300	5.1
177.12636	3.0
195.13733	4.0
221.15353	4.3
239.18002	3.1
247.20497	3.0
255.15956	8.9
263.23523	3.6
269.17560	7.5
275.20108	20.0
293.21170	3.4
296.23096	2.9
314.22284	2.7
322.82138	3.6
328.08026	5.2
335.25827	6.6
337.27414	55.7
338.27768	4.1
349.23605	8.0
367.24722	4.0
391.36014	3.2
400.56036	3.0
517.38812	12.8
531.40515	56.2
532.40753	6.3
535.23761	3.5
611.46326	7.1
629.47815	4.8
664.48553	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01882	9.6
55.05512	20.3
57.03443	9.9
57.07075	6.9
59.05005	1.3
61.03375	1.3
62.05553	1.5
62.59736	1.3
65.03950	2.7
67.05511	55.3
69.07075	17.6
69.65562	6.9
71.04971	1.5
71.08639	9.9
79.05495	34.0
81.03443	2.3
81.07061	55.0
82.07365	2.2
82.71933	1.4
83.04985	5.0
83.08639	15.1
84.09002	1.4
85.06555	2.5
85.10182	4.8
87.04500	1.4
91.05480	27.3
92.05811	2.5
93.07048	39.5
94.07381	1.7
95.04986	6.9
95.08614	39.4
97.06551	7.5
97.10209	4.0
97.33988	1.6
99.07549	1.5
99.08113	7.9
105.07030	19.3
107.04973	3.3
107.08598	19.8
109.06506	3.9
109.10178	13.7
111.08083	15.7
113.09657	4.5
117.07000	3.7
119.08598	14.3
121.10144	17.4
123.08100	3.6
123.11706	5.5
129.07014	1.7
131.08592	8.3
133.10118	12.3
134.10443	1.7
135.11673	11.5
137.09656	2.7
137.13245	2.4
139.11201	2.5
145.10136	7.5
147.11682	13.1
149.09631	3.6
149.13237	7.6
151.11215	5.7
151.14810	1.7
153.12653	1.4
157.10175	2.5
159.11722	5.8
161.13278	7.7
163.11208	3.1
163.14864	2.9
165.12773	7.6
171.11690	2.8
173.13303	3.8
175.11249	1.6
175.14859	3.1
177.12816	2.5
179.14363	4.7
185.13260	2.4
197.13196	1.6
214.07373	1.4
221.15453	2.4
229.14325	1.8
231.21150	1.9
243.21254	2.7
249.22148	2.4
257.18710	1.7
259.20627	4.3
261.22198	5.4
275.19998	1.9
277.21664	38.2
295.22729	9.6
327.07861	3.2
335.25815	100.0
336.26080	8.8
337.27216	3.8
351.25327	18.4
352.25485	2.2
353.26956	2.2
369.26355	19.2
370.26801	1.7
383.13968	2.6
434.06763	1.5
460.78284	1.7
491.36658	1.8
492.37701	2.7
529.38910	2.4
537.42847	2.0
552.33044	2.6
608.39056	2.8
611.46686	14.9
612.46906	2.0
629.47827	21.1
630.47876	3.1
664.47217	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	664.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13360	4.5
53.03928	7.6
53.44085	4.2
55.05515	42.2
57.03424	12.8
57.07071	14.2
59.07537	4.3
65.03925	5.7
67.05505	96.7
69.07066	34.1
69.10417	34.1
69.10783	3.6
70.82996	4.6
71.04977	7.9
79.05498	60.4
81.03421	5.6
81.07059	86.8
83.04976	13.7
83.08603	21.3
87.04475	9.3
91.05473	46.1
93.07037	78.9
95.04952	31.6
95.08604	59.1
97.06550	10.0
97.10152	8.8
105.07016	28.2
106.05014	7.8
107.08591	43.7
109.10159	24.5
111.08020	6.1
117.07035	14.0
119.08572	19.1
121.06466	5.9
121.10144	26.9
123.11734	9.4
125.09585	7.3
131.08565	17.3
133.10114	19.4
135.11708	13.2
139.11176	6.2
145.10135	11.6
147.11670	17.4
149.09663	9.7
149.13243	13.1
159.11713	11.7
161.13242	7.9
163.11255	11.6
171.61832	4.6
189.11276	6.9
223.13338	24.4
261.22324	8.2
269.17380	11.3
275.19986	32.5
277.21637	11.3
293.21033	20.6
335.25897	35.2
337.27463	50.2
349.23749	15.1
351.25180	8.5
367.24835	17.3
489.35526	6.1
496.27130	7.9
529.38855	100.0
530.38953	13.2
546.17645	5.6
552.32904	11.2
556.76276	4.8
608.39313	10.5
611.46405	7.9
629.47650	34.9
664.47827	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	664.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33635	1.6
51.74304	1.4
53.03953	5.1
55.01878	4.7
55.05518	22.8
57.03442	10.2
57.07084	6.9
58.46137	1.7
63.18462	1.6
65.03945	3.5
67.05511	62.2
68.05831	2.8
69.06730	3.1
69.07076	39.0
71.05004	2.4
71.57243	1.7
79.05500	38.2
81.07065	100.0
82.07407	2.5
83.05003	5.1
83.08624	18.9
85.06524	3.7
90.44289	1.6
91.05488	28.6
93.07056	32.9
95.04980	10.9
95.08611	48.8
97.06529	8.1
97.10180	6.0
99.08131	3.1
102.15667	1.6
105.07037	20.9
106.07430	1.9
107.04987	6.1
107.08594	17.5
109.06524	19.0
109.10157	15.6
111.08104	5.4
117.07031	6.3
119.08586	19.1
121.06513	2.7
121.10147	12.9
123.08095	5.0
123.11720	9.2
129.07076	3.6
131.08556	8.1
133.10123	14.8
135.08080	2.3
135.11722	7.6
137.09602	2.2
145.10141	9.0
147.11703	14.2
149.09647	4.8
149.13329	4.5
151.11267	2.1
157.10103	2.5
159.11716	5.8
161.13335	2.9
163.11253	3.7
163.14825	3.5
165.12791	4.6
169.10052	1.8
171.11731	2.4
175.11311	2.1
183.11623	2.1
229.19452	3.0
247.20575	3.6
257.18958	3.2
263.23682	2.9
275.20096	40.2
276.20325	3.9
293.21109	8.2
307.29153	1.8
335.25751	1.6
337.27374	85.5
338.27655	8.6
349.23740	14.7
350.34149	1.8
367.24820	22.0
368.25403	2.1
373.20859	1.9
436.31357	1.7
473.43903	1.9
611.46820	20.2
612.46936	3.8
629.47931	21.1
630.48401	2.7
633.21973	1.6
637.33374	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	665.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79732	0.3
66.30356	0.3
69.03418	0.5
71.27712	0.3
81.03439	0.4
82.99794	2.2
85.02901	1.2
86.09687	1.9
87.10062	0.4
95.04952	0.6
97.02866	0.6
101.00880	10.6
102.00951	0.5
113.00896	0.5
117.04015	0.3
119.01922	16.2
119.04956	0.3
120.02015	0.7
123.04450	0.6
127.02414	0.3
127.03934	0.5
131.01933	1.5
132.10191	0.9
133.03465	0.4
136.06213	0.6
136.07591	0.7
137.02954	1.1
142.03654	0.3
143.01897	87.4
144.02048	4.3
145.03468	0.6
152.31866	0.4
153.01839	2.4
153.04018	0.8
155.01910	2.0
157.03520	0.4
159.05096	0.5
161.02957	100.0
162.03087	5.9
171.02991	0.4
171.05035	4.4
173.02980	2.7
179.04073	0.5
182.08151	0.4
184.04594	1.5
189.06105	0.8
195.05055	1.3
203.04007	37.3
204.04201	2.5
210.65508	0.3
213.06085	17.4
214.06285	1.1
221.05051	4.3
231.07162	3.4
231.51398	0.4
243.07198	0.5
245.05099	1.0
261.08057	0.4
263.06125	33.9
264.06250	3.0
273.08136	0.9
287.09619	0.4
291.09219	2.4
304.57291	0.4
305.07114	0.5
333.10300	34.2
334.10376	3.0
351.11057	0.4
355.04907	0.5
373.06073	0.6
395.83472	0.3
415.07196	0.9
503.12759	0.8
509.25000	0.4
527.91229	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54504	0.4
55.01883	0.7
55.05513	1.3
57.03430	1.0
57.07066	0.4
59.50663	0.4
61.02926	4.7
67.05507	4.5
69.03429	2.7
69.07076	2.2
71.04977	0.7
73.02923	3.1
79.05489	3.4
80.36096	0.4
81.03426	1.4
81.07058	6.6
83.04968	0.7
83.08642	1.3
85.02911	3.9
88.40796	0.4
91.03968	2.9
91.05476	2.8
93.07030	3.9
95.04991	0.5
95.08625	1.7
97.02897	3.8
97.06570	0.8
98.22661	1.1
99.04439	0.5
101.02394	1.5
103.03905	0.4
104.26832	0.5
105.07004	0.9
107.08586	2.7
109.02913	0.6
111.08150	0.5
114.46509	0.4
115.03993	0.5
117.07047	0.9
121.10146	1.4
123.11735	0.8
126.60655	0.4
127.03949	1.1
131.08591	1.2
133.10158	1.5
135.11801	1.0
145.05077	0.5
149.13281	1.2
149.61485	0.4
159.11751	1.1
185.04243	0.9
195.13844	1.2
235.13182	1.4
243.08470	1.4
269.17593	1.0
291.15784	1.0
401.80984	0.4
453.20953	14.5
454.21609	1.1
547.56854	0.4
665.35046	100.0
666.35437	14.3
666.44275	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	665.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.2
56.35581	0.9
57.03451	1.4
57.63483	1.0
61.02932	4.2
67.05518	4.2
69.03446	2.3
69.07069	1.7
73.02934	2.3
79.05495	2.3
81.03439	1.2
81.07069	6.4
83.04993	2.9
83.08631	1.1
83.81698	1.0
85.02944	3.2
91.03952	2.4
91.05489	2.0
93.07053	4.9
95.08640	1.6
97.02922	3.2
101.02385	2.1
103.07366	1.0
105.07125	1.5
107.08623	1.2
111.04475	4.1
112.04819	1.9
112.47048	1.0
126.69172	0.9
127.03922	1.1
131.08696	1.2
133.10168	1.5
139.10052	0.9
149.13272	1.8
153.05492	2.5
216.62329	1.0
235.13037	1.6
243.08470	1.5
269.17560	1.3
406.22925	1.0
441.50378	1.3
453.20926	14.4
532.75055	1.0
665.35071	100.0
666.35352	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01875	0.5
55.05518	1.0
57.03439	1.7
61.02933	3.6
67.05511	4.7
67.66083	0.3
69.03439	2.5
69.07072	1.3
71.00056	0.3
71.05003	0.5
73.02918	2.3
79.05480	2.8
81.03433	1.3
81.07058	6.5
83.05002	0.9
83.08643	1.2
85.02911	3.1
91.03963	2.1
91.05499	1.7
93.07045	5.4
95.04986	0.7
95.08614	1.5
97.02894	2.9
97.06553	0.8
98.23444	0.5
99.04484	0.7
101.02399	1.2
105.07053	1.0
107.08587	2.7
109.02900	0.8
109.10173	0.7
111.08105	0.5
117.07055	0.7
119.08586	0.4
121.10149	2.1
127.03945	0.9
131.08589	0.7
133.10147	0.7
135.11723	1.0
145.04887	0.4
149.13298	3.0
159.11745	1.2
177.12814	0.7
185.04240	0.5
195.13815	0.3
235.13020	1.8
243.08440	1.6
243.71649	0.4
269.17548	0.9
278.96588	0.3
291.15866	0.9
337.52957	0.4
389.74619	0.3
429.47839	0.3
453.20975	15.2
454.21341	0.9
464.57712	0.3
527.36060	0.4
546.05408	0.3
665.35046	100.0
666.35388	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05510	0.7
57.03442	1.1
59.65483	0.5
61.02924	3.5
61.48384	0.4
67.05518	3.2
69.03445	1.8
69.07096	1.0
69.46372	2.5
73.02930	2.2
74.97950	0.5
75.06322	0.4
79.05490	2.1
81.03431	0.9
81.07059	4.4
83.04975	0.7
83.08636	1.1
85.02901	3.4
90.52511	0.5
91.03945	2.1
91.05502	2.1
93.07045	2.8
95.08630	1.0
97.02880	2.2
97.06548	0.8
101.02415	1.4
107.08627	1.2
117.07048	1.0
121.10143	1.2
121.39143	0.4
127.03932	0.9
131.08528	0.6
133.10210	1.3
135.11696	0.5
149.13266	1.2
159.11702	0.5
185.04248	0.9
195.13844	1.2
203.05147	0.6
235.13132	1.5
238.31683	0.5
243.08421	1.7
269.17493	1.3
291.15692	0.6
312.23618	0.4
315.65842	0.5
326.94565	0.4
340.20651	0.5
343.46628	0.5
453.21017	14.6
454.21384	1.5
494.61975	0.4
499.74106	0.5
508.01794	0.6
665.35071	100.0
666.35455	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	665.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.3
55.01885	1.2
55.05513	2.8
57.03453	1.6
57.07086	0.9
59.05010	0.8
61.02946	1.8
67.05508	8.4
67.05842	0.7
69.03452	2.2
69.07076	2.7
71.05013	1.9
73.02940	1.4
79.05495	5.0
81.03435	3.1
81.07062	9.3
81.07516	0.6
83.05003	1.8
83.08648	2.1
85.02908	3.1
85.06561	1.2
91.03967	0.8
91.05470	4.4
93.07051	7.7
93.07540	0.6
95.04956	2.4
95.08609	3.6
97.02929	1.7
97.06532	1.2
97.10168	1.2
99.04504	1.0
105.07020	4.6
107.05015	0.9
107.08586	4.4
109.06555	1.5
109.10143	2.8
111.08144	0.9
115.05476	0.5
117.07092	1.6
119.08607	3.5
121.06518	1.1
121.10117	3.6
123.08128	2.0
123.11769	1.3
123.99621	0.5
125.06023	1.1
125.09704	1.2
129.07065	0.8
131.08563	2.8
133.06519	0.8
133.10138	2.8
135.08109	1.5
135.11778	1.2
137.09695	0.7
141.07024	0.5
143.08614	1.0
145.10193	1.7
147.08090	1.0
147.11746	1.5
149.02461	0.5
149.09715	2.1
149.13408	1.1
151.07620	0.9
157.10239	1.1
159.11807	1.8
163.11264	2.1
165.09227	0.9
167.10782	1.4
169.10242	0.9
171.11844	0.7
175.11299	0.8
181.12347	1.1
189.11308	0.7
189.12846	0.9
193.05031	0.9
202.69746	0.5
203.14578	0.6
207.13901	1.1
221.15536	1.1
226.49652	0.5
233.15410	0.6
243.08434	0.6
269.17709	0.7
275.20233	1.0
283.15131	7.3
339.17889	4.0
349.19870	5.4
349.23596	0.7
378.12695	0.6
405.22400	3.3
453.20920	4.8
454.21835	0.9
458.54059	0.6
665.38483	100.0
666.38898	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	666.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09496	0.2
57.33168	0.3
69.39041	1.2
69.39447	0.6
72.74413	0.3
79.05494	0.8
81.01810	0.3
84.96863	0.3
86.70335	0.3
91.05487	0.7
93.07049	1.5
98.23320	0.5
103.05463	7.6
107.04962	1.2
120.08106	100.0
121.08444	3.6
127.03856	0.3
131.04944	2.7
136.99036	0.3
149.05974	2.0
153.01823	0.7
166.08638	47.9
167.09036	1.7
192.06494	0.5
417.18997	0.3
570.30713	0.3
583.03632	0.3
600.47308	0.3
608.51733	0.3
699.85980	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	666.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18935	0.4
53.03963	0.5
55.05516	4.4
57.07066	0.9
57.85880	0.5
58.06602	5.0
64.14662	0.4
67.05185	0.5
67.05509	6.9
69.07072	7.6
70.28981	0.5
71.08607	0.5
79.05488	2.0
81.03417	1.0
81.07061	8.8
82.07376	0.5
83.08636	2.9
85.02923	0.5
91.05460	0.8
93.07030	1.8
94.40236	0.5
95.08611	8.4
97.02879	0.8
97.10155	1.8
105.07043	0.8
107.05047	0.5
109.10175	3.1
111.00803	1.2
123.11687	1.2
127.03899	1.1
145.02843	0.7
155.03397	0.6
158.13408	0.4
166.43233	0.4
177.05476	1.2
178.19250	0.5
208.76105	0.4
223.09604	1.4
252.26877	100.0
253.27174	6.5
283.15210	1.3
351.21545	1.0
386.84393	0.6
407.24136	0.6
453.20236	0.6
454.21201	0.9
473.28888	1.2
666.35449	11.3
667.40491	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	666.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90618	3.6
54.39339	4.6
55.05515	32.3
57.03435	10.8
57.07067	12.3
67.05508	42.0
69.07075	39.2
69.23632	16.4
69.24046	8.9
70.92233	3.4
71.08633	8.5
75.76057	3.6
79.05492	24.0
81.07058	72.0
83.04985	5.2
83.08624	24.5
91.05486	14.8
93.07053	21.4
95.04951	7.3
95.08607	28.8
97.06550	10.6
97.10178	10.7
105.07040	15.7
107.04949	4.4
107.08591	22.1
109.06522	9.4
109.10176	12.3
111.11774	4.1
117.07014	4.1
119.08603	9.7
121.10126	10.9
123.11742	7.4
131.08546	6.3
131.77267	4.1
133.10132	7.8
135.11685	12.7
145.10126	6.6
147.11717	10.8
149.09583	6.0
149.13173	6.1
153.30951	4.5
165.12761	4.3
165.49908	4.6
275.19940	30.5
293.21100	5.8
302.80200	3.6
325.04700	4.2
337.27548	5.2
339.28937	100.0
340.29437	7.1
349.23718	17.0
367.24814	14.4
371.88263	4.2
447.16992	4.4
558.65009	4.2
613.48669	21.8
631.49060	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.2
55.05515	29.9
57.03453	13.2
57.07079	17.3
67.05512	85.0
69.07085	39.0
69.14584	55.3
71.08624	8.2
73.89677	7.1
79.05500	33.5
80.19919	6.8
81.07056	71.5
83.04984	6.9
83.08624	29.0
85.10159	9.2
90.42345	6.7
91.05495	17.4
92.93750	10.4
93.07068	24.0
95.08620	61.5
97.06545	11.8
97.10169	10.3
98.23417	13.7
105.07066	28.8
107.08601	24.3
107.72456	8.4
109.10171	24.8
111.08054	13.5
116.11787	7.8
116.46408	7.5
117.07005	8.9
119.08604	23.8
121.10087	14.5
131.08490	11.1
133.10153	19.6
135.11612	10.3
147.11745	10.7
149.09697	7.2
149.85287	6.8
161.13322	9.8
165.12830	13.8
259.20618	9.9
275.20193	13.5
277.21732	30.7
295.22672	20.7
328.08041	16.7
329.08429	13.7
337.27438	100.0
339.28970	10.7
351.25375	17.9
369.26425	26.6
385.14996	9.5
441.21262	10.4
497.26889	18.4
553.33221	18.6
554.34082	30.2
609.39423	9.4
610.09485	8.6
610.40149	32.3
613.48370	25.6
631.49091	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	666.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	37.5
57.03428	11.0
57.07064	15.0
66.41695	6.3
67.05509	100.0
69.01891	70.2
69.07076	44.2
71.08644	10.8
73.64447	6.8
79.05507	52.4
81.07066	96.9
83.04967	12.3
83.08610	17.0
91.05476	37.1
93.07054	60.8
95.04980	23.5
95.08616	61.4
97.06550	7.4
97.10221	8.5
99.08103	11.2
105.07050	27.4
107.08591	32.3
109.10152	41.5
117.07012	9.7
119.08591	19.0
121.10153	22.2
123.11748	13.9
130.25400	6.8
131.08578	8.6
133.10156	13.0
135.11684	13.9
149.13315	20.4
161.13298	10.9
173.11841	8.1
195.13795	8.3
229.14323	9.7
259.20554	8.9
269.17603	12.5
328.08243	11.0
329.08432	19.7
337.27505	50.7
337.31216	11.3
351.25314	13.1
441.20917	13.0
491.37137	23.4
497.27075	9.7
498.27310	12.2
531.40613	94.4
532.40942	9.3
553.33606	12.9
554.33673	21.0
613.47662	10.7
631.48273	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	666.53
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53250	5.0
55.05518	31.0
57.03440	12.8
57.07068	12.8
65.00246	4.5
67.05179	7.2
67.05509	82.9
68.05849	5.0
69.07072	44.3
69.10474	35.5
71.08640	7.2
74.21014	4.1
79.05492	37.2
80.05862	4.8
81.03400	4.9
81.07053	100.0
81.55035	4.3
82.07385	7.5
83.04987	7.6
83.08638	19.2
85.10178	26.3
91.05470	32.5
93.07046	46.0
95.04978	16.6
95.08613	46.6
95.62588	4.6
97.06538	6.8
97.10194	7.9
105.07037	23.8
107.04984	7.0
107.06957	5.2
107.08589	25.5
109.10153	27.7
111.11681	5.0
113.09657	22.5
119.08599	16.2
121.10140	17.8
123.11695	7.7
129.46487	4.6
131.08580	11.1
133.10147	16.4
135.11826	6.4
147.11728	9.4
149.09615	8.8
159.11694	6.2
161.13486	4.8
163.11234	5.9
165.12721	34.2
269.17520	5.7
277.21661	43.4
295.22675	82.7
296.23151	8.7
337.27386	98.4
338.27686	20.7
338.41800	4.5
339.28156	10.4
351.25217	22.5
352.25186	4.4
369.26181	34.6
402.09924	5.1
531.40271	19.5
613.47815	20.4
631.49335	46.3
632.49371	5.5
667.45056	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	667.3299
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
52.78234	0.4
53.67314	0.5
55.01881	0.6
55.05510	1.1
57.03435	1.4
61.02931	2.8
67.05495	2.9
68.77046	0.5
69.03444	2.0
69.07078	1.0
73.02929	2.2
74.39062	0.5
79.05483	3.3
81.03424	3.2
81.07067	2.3
83.05000	0.9
83.08623	1.1
85.02914	4.7
91.03976	2.5
91.05476	2.9
93.07063	3.2
95.05002	1.1
95.08630	0.8
97.02882	2.6
97.10148	0.5
99.04461	0.8
101.02366	1.3
105.07057	1.5
107.08605	1.7
109.02930	0.6
119.08532	1.0
121.06535	1.0
121.10161	1.0
121.33221	0.6
127.03957	1.3
129.07060	0.6
131.08598	0.7
133.10167	1.6
135.11710	1.9
147.11681	0.7
157.10152	0.6
177.05559	1.4
193.12321	1.4
211.13275	0.7
221.11568	1.0
243.08492	1.9
273.92917	0.6
315.39288	0.6
439.19543	5.5
451.55658	0.5
469.20538	7.2
539.26154	0.5
556.24005	0.5
667.32996	100.0
668.33307	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	667.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88534	0.7
55.01873	0.8
55.05519	2.0
67.05515	5.3
68.99834	1.2
69.07089	1.7
70.38898	0.7
71.04971	0.9
72.74479	0.7
78.88140	0.8
79.05516	3.4
81.03429	2.2
81.07056	4.2
83.05013	1.0
83.08660	1.5
91.05510	2.2
93.07077	3.1
95.05014	1.8
95.08636	1.8
105.07067	2.3
105.41619	0.9
105.65039	0.7
107.04974	1.2
107.08617	1.4
109.10220	0.9
111.00856	2.3
116.17332	0.8
116.97887	0.7
119.08554	1.3
121.06568	1.0
121.10194	1.9
125.40617	0.8
127.03959	2.4
129.07054	1.3
131.08641	1.4
133.10178	2.2
135.11668	1.0
140.28052	0.8
145.02892	2.2
147.11755	1.2
149.09641	1.0
155.03477	0.8
177.05554	2.9
193.12306	1.0
205.08705	1.6
223.09805	2.6
252.26973	2.2
253.27336	1.1
261.11102	0.8
283.15076	6.9
339.17828	4.0
351.21506	5.3
374.68243	0.8
407.24258	3.7
455.28021	1.1
473.29193	2.7
475.06549	0.9
570.42255	1.2
656.86060	0.9
667.40430	100.0
668.40912	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	668.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.00009	0.3
53.03944	0.6
62.45598	0.4
69.03427	0.8
69.52507	0.8
69.52910	1.2
79.01855	6.2
81.03410	2.9
87.00833	0.4
97.02874	1.8
98.03271	0.4
99.04455	0.5
99.30573	0.4
102.39211	0.4
107.01324	0.9
109.02873	5.7
109.03574	0.5
116.12450	0.4
125.02359	3.0
127.03927	6.3
133.02838	0.5
143.03401	6.4
153.01831	100.0
153.02907	6.2
154.02180	3.0
161.02394	0.7
163.03915	1.1
171.61229	0.4
179.03258	0.4
189.01842	1.6
189.48668	0.4
191.03433	2.2
207.02878	1.8
217.01291	3.0
219.02866	2.8
221.00888	0.8
229.01410	0.4
235.02364	3.9
245.00784	3.1
247.02399	1.3
263.01868	1.2
273.00348	2.7
275.01846	0.9
291.01547	0.9
300.99942	0.9
304.55917	0.4
319.00876	5.9
337.01840	3.6
445.04047	12.1
446.04327	1.2
448.96710	0.4
463.05051	3.4
615.06323	0.8
695.66205	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	668.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49452	0.4
51.02388	1.2
53.03934	0.8
61.67543	0.4
64.44428	0.4
67.41199	0.4
69.03439	0.9
69.35172	1.4
69.35568	0.7
79.01860	6.0
81.03438	2.9
97.02895	2.6
107.01321	1.3
109.02893	5.4
110.03218	0.5
118.11813	0.5
123.00790	0.4
125.02348	3.1
127.03928	7.9
136.07596	0.5
143.03424	5.9
152.49831	0.5
153.01839	100.0
153.02922	6.2
154.02180	4.1
161.02364	0.6
163.03906	0.7
167.03384	1.1
179.03348	0.4
189.01897	1.2
191.03455	1.8
207.02890	1.5
207.71257	0.5
212.84958	0.5
217.01349	2.2
219.02919	2.3
221.00897	0.7
229.01353	0.5
235.02359	4.0
239.01958	0.5
245.00877	3.6
247.02408	1.8
263.01910	1.5
273.00360	2.8
275.01947	1.5
291.01447	1.0
300.99799	0.9
302.00668	0.6
319.00861	5.4
337.01898	5.1
445.04004	10.5
446.04453	1.0
463.05099	4.4
498.47287	0.5
615.06036	0.9
633.07239	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	668.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03959	0.5
55.01877	0.5
69.03427	1.2
69.36145	0.4
69.43898	0.9
69.44319	1.5
79.01854	6.3
81.03408	2.8
97.02909	2.4
98.23332	0.7
99.04464	0.5
100.81134	0.4
107.01347	1.3
109.02876	5.3
125.02347	2.8
127.03933	7.6
143.03409	5.4
143.98824	0.5
153.01834	100.0
153.02916	6.5
154.02179	2.6
161.02353	0.5
163.03975	1.8
168.62431	0.4
179.03462	0.5
189.01807	1.5
190.25755	0.5
191.03369	2.1
207.02916	1.4
217.01326	3.4
219.02908	2.7
221.00798	1.2
229.01436	0.5
235.02365	4.1
245.00859	3.8
247.02501	1.4
257.00845	0.5
262.58197	0.5
263.01929	1.9
273.00354	2.9
274.00809	0.5
276.02023	0.4
291.01364	1.2
300.99832	1.1
319.00833	6.4
337.01849	2.8
445.03995	16.3
446.04398	1.4
463.05014	4.2
464.05505	0.5
615.05396	0.7
633.07434	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	668.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
50.75483	0.1
51.02385	0.2
53.03944	0.4
55.01880	0.3
55.48093	0.1
63.02371	0.2
65.03943	1.2
69.03429	0.8
69.48787	0.7
69.49200	0.2
76.03145	0.2
77.03949	0.5
79.05480	0.3
81.03419	3.5
81.03864	0.3
85.02905	0.9
88.38770	0.1
89.03919	1.3
91.05482	17.0
92.05824	0.4
93.07048	1.1
95.04977	0.5
97.02901	0.4
99.04462	0.4
103.05473	1.2
105.03394	0.4
105.04491	0.2
107.04967	0.6
109.02880	1.1
117.03381	1.4
118.04205	0.3
119.04946	25.5
120.05283	0.9
121.02879	0.2
121.06512	7.4
123.04414	0.1
127.03904	0.4
129.03368	0.3
131.04916	0.2
132.02081	1.1
133.02820	0.5
135.03488	0.3
135.04416	2.6
136.05182	0.3
137.05963	0.3
138.09155	0.6
145.02853	2.9
147.04413	21.8
148.04741	0.7
149.02356	0.5
151.03943	0.2
153.01840	0.3
157.03981	2.7
163.03912	15.6
164.04642	1.0
167.07033	0.1
175.03908	40.8
176.04253	1.8
177.05460	0.5
179.07022	2.1
189.05347	0.3
192.04192	0.6
207.06528	100.0
208.06859	3.9
220.68947	0.2
225.07590	0.4
233.08023	0.2
300.12311	9.3
301.12842	0.7
323.09204	0.2
327.08414	0.3
329.07791	0.2
351.10794	4.9
352.11105	0.4
361.08789	0.5
362.09229	0.6
369.11832	7.1
370.11972	0.4
396.14389	0.3
462.17331	0.3
498.01578	0.1
668.18188	0.7
669.23938	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	668.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.6
57.03439	11.4
57.34359	1.3
57.95585	1.5
59.04988	2.0
65.03937	2.5
67.05509	65.2
67.27307	1.6
69.03414	2.0
69.07066	3.4
69.61246	7.8
70.78800	1.9
71.04997	5.1
74.11420	1.7
79.05507	7.4
81.03419	58.8
81.07053	15.9
83.04984	4.2
83.08627	14.4
91.05471	11.6
93.07053	7.6
95.04968	17.2
95.08616	6.7
97.02914	2.2
97.10143	2.0
98.22691	3.2
105.07042	8.0
107.04929	3.6
107.08630	4.8
109.02913	1.9
109.06466	2.5
109.10159	67.2
111.08094	6.4
115.05475	1.7
119.08585	14.6
121.06539	1.7
121.10159	4.5
123.08126	2.0
129.07039	4.9
131.08592	5.6
133.10130	4.4
137.09668	4.3
147.08078	1.8
147.11737	5.7
149.09636	4.2
150.77888	1.8
155.10722	5.3
157.10130	7.9
165.12798	2.3
173.11720	19.2
175.11224	6.1
184.07364	4.9
193.12279	17.5
229.14359	90.4
230.14685	4.2
267.15915	85.4
268.16095	2.3
269.18643	1.7
329.20944	2.4
403.24741	9.4
421.25882	100.0
422.25986	8.2
452.16562	2.0
463.26752	2.4
668.33051	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	668.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54810	0.3
55.05513	8.4
57.07080	3.1
58.06605	7.2
67.05493	1.0
69.07071	10.5
69.84565	0.6
69.84938	0.8
71.08632	1.4
72.08158	0.5
79.05509	0.4
81.07049	1.1
83.08621	6.1
85.10185	1.2
95.08603	1.1
97.10182	4.8
111.00800	0.7
111.11725	1.2
122.63028	0.3
127.03946	0.5
146.03223	0.3
173.77138	0.4
177.05458	0.5
184.20648	2.1
198.22243	0.3
223.09557	0.5
252.26909	3.1
253.27150	2.5
254.28439	100.0
255.28781	6.6
255.31166	0.2
415.49069	0.4
440.62262	0.3
460.60739	0.3
500.65131	0.4
668.40924	4.5
669.41412	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	669.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.6
55.52989	4.5
83.04987	46.5
94.54040	4.5
105.18034	5.8
111.04442	100.0
153.05482	37.6
158.54956	6.1
251.03143	5.9
254.28397	31.3
298.56607	5.8
311.05286	52.7
336.44736	4.9
577.62744	5.6
587.02142	5.8
601.62958	7.0
668.41095	14.4
669.04816	71.5
670.05182	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	669.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92228	0.4
51.05886	0.4
53.03955	0.5
53.26020	0.4
55.05516	9.2
61.81562	0.5
69.03442	0.5
69.39458	1.0
69.39870	1.9
83.01122	0.6
83.04986	56.7
84.05326	1.4
85.02902	0.9
104.98856	0.5
110.20491	0.4
111.04447	100.0
112.04757	2.1
125.02120	1.1
127.03970	0.5
129.05481	2.4
133.02592	0.9
153.05473	34.1
153.62610	0.4
154.05846	0.8
171.06505	2.9
175.03700	1.2
193.04738	37.2
194.05092	0.8
213.07629	0.5
235.05774	28.3
236.06084	1.2
273.09683	0.7
295.07898	48.2
296.08163	2.3
381.99335	0.5
396.00912	0.5
397.01645	4.7
571.47363	0.5
669.10480	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	669.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60093	0.2
57.52716	0.2
61.51525	0.2
70.06561	0.3
71.30658	0.3
74.55808	0.2
78.31788	0.2
78.55891	0.2
81.28201	0.2
82.80220	0.2
93.40631	0.2
107.25693	0.2
115.03900	0.3
117.03352	0.6
121.06492	0.7
137.02379	0.8
137.05957	0.8
139.94882	0.2
145.02847	1.0
149.05949	0.2
151.03859	0.3
153.01842	0.7
158.07246	0.7
161.05939	0.3
165.05408	0.2
168.05757	0.5
172.43837	0.2
175.03825	0.3
177.05476	2.3
185.05934	0.5
186.06773	2.2
196.05202	0.7
197.05931	0.4
199.04102	0.3
203.03401	0.6
213.05402	1.5
214.06230	2.1
224.04729	0.9
225.05469	0.6
241.04976	0.8
242.05766	3.1
252.04150	0.7
253.04999	1.0
269.04440	0.7
270.05234	23.1
271.05591	1.4
273.03949	0.3
281.04367	0.5
285.03989	0.7
286.04660	0.9
287.05460	3.1
288.05923	0.3
293.18921	0.2
297.03967	3.9
298.04721	9.5
299.05417	3.0
301.03488	0.3
302.04181	2.1
315.04996	9.1
316.05746	8.6
317.02975	0.3
318.03680	1.1
331.08112	100.0
332.08484	6.1
333.06046	2.0
346.77875	0.3
439.41422	0.3
507.11182	0.6
613.97253	0.3
645.55792	0.3
669.17981	5.7
670.18646	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	669.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
52.18665	0.2
53.03944	0.6
55.01872	0.8
55.05508	0.4
57.07063	0.2
65.03940	0.4
67.05515	1.1
68.99776	1.0
69.00749	1.0
69.01182	0.7
69.03430	0.3
77.03950	0.4
79.01851	0.3
79.05503	1.1
81.03427	0.9
81.07059	2.0
83.01373	0.2
84.04494	2.4
87.98870	0.2
91.05492	0.8
91.50442	0.2
93.07038	0.7
95.04977	1.5
95.08604	0.9
97.02911	0.2
100.85995	0.2
103.05460	0.2
103.66256	0.2
105.03389	1.2
105.04516	0.4
105.07030	0.6
107.04971	0.6
107.08597	0.6
109.02885	1.3
109.10133	1.2
115.05477	0.3
119.04921	0.9
119.19389	0.2
121.06483	0.5
121.10127	0.2
123.04433	34.3
123.08069	0.9
124.04763	0.6
125.02369	1.1
127.03902	0.8
130.05008	4.0
131.04935	0.4
131.08592	0.7
133.06503	0.4
133.10147	0.4
135.04427	1.5
137.06059	0.2
139.03896	0.7
143.03409	0.2
145.10120	0.6
147.04408	3.2
147.07631	3.2
149.06000	1.4
149.09618	0.7
151.03906	84.0
152.04233	2.1
153.01839	3.3
153.02951	0.4
153.05481	0.3
155.08594	0.2
159.08018	0.4
161.05974	1.5
163.03912	7.1
163.07616	0.3
164.04126	0.3
165.05461	2.6
173.09578	0.5
175.07648	0.2
176.04622	0.3
177.05490	5.4
177.09129	3.4
185.09583	0.5
189.05446	1.9
191.07094	0.3
191.10689	0.8
195.10219	0.7
201.09062	1.4
203.10739	0.9
217.08641	0.3
219.10165	100.0
220.10498	4.4
220.12109	0.1
225.59222	0.2
231.10144	2.5
232.10515	0.2
245.78644	0.2
285.07492	0.3
353.13858	3.9
354.14166	0.2
371.14954	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	669.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01873	7.1
55.05511	9.9
61.83925	1.3
65.03940	2.8
67.05509	32.2
68.99797	42.4
69.03436	5.8
69.07076	16.3
70.52517	1.9
71.01359	4.0
71.04998	2.3
79.05500	38.9
81.03417	14.8
81.07063	29.4
83.04983	4.8
83.08623	9.5
85.02908	1.8
85.06572	1.5
86.31123	1.3
89.03917	5.9
91.05482	31.9
91.06018	2.6
93.07047	34.2
95.01333	5.3
95.04976	29.7
95.08613	38.2
97.02888	3.0
97.06543	8.7
97.10160	3.8
103.05488	2.6
105.03410	1.9
105.04531	1.3
105.07041	17.3
107.04960	13.1
107.08596	18.5
109.02876	2.5
109.06524	4.9
109.10175	8.5
111.00809	100.0
111.04459	5.0
111.08086	3.9
112.01132	2.4
113.02386	2.0
115.05468	2.4
117.03399	6.6
117.07027	13.2
119.04906	1.8
119.08591	16.2
121.02864	7.6
121.06507	20.1
121.10143	22.9
123.04406	5.8
123.08082	3.0
123.11694	1.5
125.05972	2.4
125.09635	1.9
127.03922	43.7
128.06244	2.2
129.06989	6.0
131.08569	13.4
133.06512	4.8
133.10097	12.8
135.04417	15.9
135.08061	13.4
135.11734	7.7
137.02380	1.4
137.05992	3.7
137.09598	6.3
139.03914	7.2
141.05428	2.3
141.06987	2.9
143.08527	5.1
145.02835	11.2
145.06488	4.7
145.10139	8.5
147.04405	2.7
147.08057	4.3
147.11707	8.4
149.05972	2.5
149.09628	3.5
149.13248	1.9
151.03911	3.5
151.11165	2.5
151.96207	1.3
153.01868	4.3
153.05467	2.0
153.09116	1.6
155.03404	19.8
155.08583	3.5
157.04982	7.4
157.06477	3.7
157.10118	3.6
159.08037	4.5
159.11740	2.8
159.31354	1.3
161.05984	4.4
161.13327	1.6
163.03912	81.7
163.07542	26.1
164.04265	4.2
165.05467	4.6
165.12849	1.4
169.10133	1.8
171.04440	1.3
171.11671	6.3
173.06065	1.8
173.09625	2.2
173.13257	2.6
175.07619	1.9
177.09138	4.3
179.07007	3.7
181.05034	6.6
181.08575	6.1
181.10062	2.3
183.07947	1.5
183.11722	2.2
185.09607	1.3
185.13322	2.4
187.07657	3.2
187.14832	2.2
189.05498	5.5
191.07037	1.8
197.13249	2.2
199.07703	2.0
203.07039	2.5
205.08617	79.8
206.08978	3.6
207.06465	2.4
213.16408	3.5
221.18922	2.3
223.09636	35.1
227.07028	1.4
231.06607	1.6
231.17468	4.5
249.18538	23.5
283.20605	1.6
291.23270	5.0
301.21667	4.1
309.21988	3.7
315.22977	1.4
317.21170	2.0
319.22681	1.9
327.23203	3.8
393.24200	4.2
407.25946	3.2
411.25446	2.0
417.24097	5.6
425.26849	2.2
435.25330	33.7
435.34262	1.7
436.25558	4.0
453.26404	96.6
454.26721	10.7
471.27466	71.1
471.32489	1.2
471.34387	1.5
472.27615	7.7
489.28568	27.4
490.28665	3.1
507.29309	1.6
530.17487	1.3
669.34491	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	669.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
65.03951	0.6
67.05505	5.0
69.07069	1.1
71.29684	0.8
74.33880	0.7
75.20578	0.6
79.05511	2.6
81.07054	4.0
83.08657	1.0
84.19529	0.7
89.58778	0.7
91.05476	2.3
93.07059	3.0
95.08608	2.8
105.07056	1.6
107.08593	1.4
107.14692	0.7
109.10198	0.7
117.07041	0.9
119.08592	1.5
121.10162	0.8
133.10201	0.9
180.32841	0.6
182.68777	0.9
265.29651	0.9
305.81216	0.8
307.35992	0.7
317.21042	3.2
319.22592	2.5
373.23682	3.0
375.25052	2.3
496.59750	0.7
571.39441	1.7
572.41650	0.9
669.46973	100.0
670.47137	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10751	0.7
55.05506	1.1
57.07072	1.1
57.14485	0.7
61.72629	0.9
67.05500	7.1
67.77546	0.9
68.08553	0.8
69.07080	1.6
71.08620	2.0
79.05502	3.2
81.07064	5.8
83.08643	1.0
91.05496	2.2
93.07050	4.0
95.08607	4.2
97.10175	0.9
105.07029	1.9
107.08597	2.4
109.10175	1.4
119.08581	1.5
121.10114	1.0
131.08568	0.9
133.10120	1.0
135.11716	1.0
151.98705	0.7
159.44368	0.9
201.48572	0.8
224.22945	0.7
242.62070	0.9
252.93825	0.8
310.21057	0.7
317.17429	1.7
317.20847	11.3
373.23465	3.4
375.25220	1.6
394.49695	1.0
467.37579	1.0
542.91431	0.8
571.39795	1.3
669.46930	100.0
670.47229	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	670.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.3
51.02381	0.7
51.23479	0.2
53.03943	0.7
55.01875	1.3
66.63874	0.2
69.03435	1.3
79.01851	5.7
81.03419	6.2
82.03782	0.3
85.02893	0.7
97.02908	2.9
98.22570	0.7
99.04430	0.4
107.01318	1.8
109.02885	5.1
125.02364	3.8
126.42590	0.3
127.03924	5.5
128.04263	0.3
131.04886	0.6
143.03413	6.7
147.04437	1.1
153.01830	100.0
153.02890	5.6
154.02165	4.7
155.02264	0.7
159.04434	1.1
163.03940	0.8
165.01886	0.5
165.99429	0.3
171.02879	5.0
175.03918	1.0
177.01794	0.3
177.05441	0.5
191.03378	2.4
193.01324	0.8
193.05028	0.4
195.02884	0.4
199.02151	0.3
201.01813	0.5
203.03395	2.5
205.01314	0.4
205.04977	0.6
219.02888	3.0
221.00830	3.9
221.04301	1.6
223.02364	0.4
229.44757	0.4
230.59886	0.3
231.02856	2.5
233.00853	1.4
233.04442	0.5
235.02173	0.3
239.01805	1.5
247.02382	2.7
249.03873	1.6
257.00739	0.4
259.02341	1.4
265.03464	0.5
275.01852	4.9
277.03424	0.9
279.05008	0.7
293.02881	1.1
297.06100	0.6
303.01321	1.0
309.30518	0.3
321.02478	3.0
339.03467	9.4
340.03784	0.5
348.19263	0.3
388.11517	0.3
447.04999	0.9
465.06586	1.2
483.07867	1.4
635.08765	17.0
636.09076	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	670.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01867	7.0
57.03440	3.3
69.03432	19.1
69.03756	3.5
69.42600	13.9
73.48080	2.3
81.02992	3.5
81.03423	42.6
84.34718	2.2
85.02896	7.4
93.30170	2.2
97.02879	3.9
98.59842	2.3
99.04451	8.4
109.02887	26.6
127.03962	12.8
147.04382	7.5
153.01808	30.0
153.02937	3.1
163.03935	6.7
175.03831	4.2
187.03937	4.2
191.03397	11.6
193.01341	5.3
203.03375	12.3
219.02896	20.6
221.00787	29.7
221.04330	4.8
231.02953	18.2
233.00829	10.1
239.01826	9.8
247.02383	21.0
249.03964	5.4
257.00732	3.0
259.02405	23.2
275.01859	32.8
276.02551	3.6
277.03433	63.5
293.02933	5.2
303.01291	22.1
321.02457	14.8
339.03488	27.5
340.03525	2.9
393.39087	2.5
419.05927	3.5
447.05255	5.8
462.05328	2.6
465.06793	36.3
466.06747	2.8
483.07690	100.0
484.07883	2.5
528.67340	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	670.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01874	8.2
57.03435	3.0
57.69360	2.1
62.23486	1.8
67.89144	1.9
69.03441	13.3
69.43905	6.4
69.44315	6.7
81.03417	49.8
85.02914	7.4
85.44514	2.1
97.02894	6.0
99.04456	7.1
101.02357	3.5
109.02895	24.9
127.03943	17.2
131.04929	5.4
137.02359	4.6
137.20230	2.1
146.10956	2.6
147.04413	12.6
153.01848	17.5
154.02205	2.1
159.04411	5.3
163.03943	4.5
165.01843	11.0
165.05511	2.8
167.19612	2.2
175.03880	18.7
177.05444	5.2
179.03337	3.3
191.03346	11.6
193.01372	19.4
193.05019	3.3
197.08116	3.3
201.01872	2.8
203.03406	42.9
204.03790	2.6
205.04921	3.5
207.02901	2.3
219.02890	14.5
220.88931	2.5
221.00854	65.1
221.04359	29.8
223.53749	2.2
231.02841	21.7
233.00877	3.2
236.41603	2.3
247.02382	21.1
249.03938	25.0
256.33350	2.1
265.03445	4.9
275.01904	20.8
293.02853	7.1
321.02383	48.8
322.02533	3.7
334.90182	2.1
339.03500	37.3
345.09573	10.1
346.10092	7.3
413.88834	2.4
465.06686	21.0
483.07697	100.0
484.07947	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	670.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.03946	1.8
56.00406	0.8
60.21653	1.0
69.03436	2.5
69.31558	0.8
69.41434	5.0
79.01844	6.5
81.03419	8.3
85.02916	1.0
91.05479	2.3
97.02912	2.2
103.05447	1.1
109.02883	11.1
109.06509	4.6
118.06561	4.1
121.06519	3.2
125.02380	2.9
127.03918	23.0
133.06496	8.2
137.05980	26.8
143.03410	8.3
147.04463	1.0
150.09154	22.6
150.10307	1.4
151.03918	1.1
151.18729	0.9
153.01831	100.0
153.02798	5.6
154.02168	5.4
155.02313	1.5
155.03473	1.1
161.06006	2.6
163.03941	2.4
171.02858	1.4
179.07028	27.4
191.03429	4.4
196.09695	24.7
196.11081	0.9
203.03416	2.2
219.02890	5.6
221.00839	7.5
231.02925	2.5
233.00793	2.0
239.01901	3.6
247.02350	4.8
249.04114	1.1
259.02441	2.2
265.03757	1.1
275.01904	10.7
277.03476	3.9
287.05496	10.9
293.02734	2.3
303.01346	2.9
321.02448	2.9
339.03458	15.1
447.04956	2.1
465.06662	5.6
483.07648	4.2
635.08820	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	670.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01855	1.1
55.05507	7.3
57.03425	1.4
57.07067	1.1
58.50400	0.4
60.05646	0.6
65.03931	1.4
67.05503	28.9
68.05810	0.5
69.03426	1.1
69.07070	6.3
69.20976	3.5
71.04995	1.1
71.08622	0.9
79.05493	12.6
81.03417	36.9
81.07055	25.8
82.03750	0.9
82.07402	1.0
83.04985	2.2
83.08611	8.6
87.31932	0.5
91.05483	11.4
93.07044	9.0
95.04968	10.3
95.08606	16.5
96.08953	0.6
97.02885	1.2
97.06522	1.2
97.10163	1.9
98.06092	0.9
105.07028	7.8
107.04961	2.4
107.08595	3.9
109.06506	0.9
109.10150	5.6
111.04455	0.5
111.08061	2.6
115.05433	0.9
117.07001	1.0
119.08578	6.4
121.06522	1.4
121.10136	4.9
123.08019	0.6
123.11702	2.2
123.89368	0.5
125.09629	0.6
129.07021	3.9
131.08554	4.1
133.06497	1.5
133.10100	3.8
135.11690	1.6
137.09613	0.8
137.13202	0.7
142.07751	0.9
142.49692	0.5
145.10184	0.8
147.08067	1.6
147.11668	3.6
149.09604	2.3
149.13303	1.1
151.14845	0.7
157.10124	3.7
161.13310	0.9
175.11195	3.2
175.14893	0.5
182.46390	0.5
193.12227	8.2
211.13171	0.6
236.16467	7.2
237.16937	0.6
245.22682	0.5
249.14935	2.9
263.23706	2.0
267.15991	3.0
306.27951	4.2
308.04120	0.5
337.27576	1.7
428.98096	0.5
445.33606	0.5
469.66956	0.6
508.39713	0.7
529.38867	100.0
530.39178	15.0
607.54022	0.5
670.39746	0.7
681.15649	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	670.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21689	0.5
51.38518	0.5
53.03939	2.3
53.63289	0.6
55.01867	1.8
55.05514	8.7
57.03430	1.8
57.07061	1.0
59.44704	0.5
62.06084	0.6
65.03943	1.7
65.24085	0.5
67.05505	34.3
68.05821	0.6
69.03431	0.9
69.07069	8.1
69.42840	2.8
71.05003	1.1
71.08641	1.0
75.27194	0.5
79.05492	14.6
81.03417	43.8
81.07054	30.8
82.03744	0.6
82.07395	0.7
83.04983	2.0
83.08617	11.1
91.05477	13.5
93.07043	11.1
95.04970	12.6
95.08607	20.7
96.08914	0.7
97.02890	1.5
97.06525	2.3
97.10185	1.9
98.06067	1.4
98.98509	0.5
105.07034	10.5
107.04951	3.4
107.08596	6.3
109.06537	1.3
109.10156	7.4
111.04445	0.7
111.08093	2.8
111.11771	0.5
117.07020	1.2
119.05006	0.5
119.08578	8.4
121.06532	1.1
121.10148	5.7
123.11723	2.9
129.07013	4.2
131.08582	4.7
133.06503	1.8
133.10117	3.8
135.11719	2.0
137.09592	0.8
137.13297	0.9
139.30159	0.5
142.07826	1.2
142.80170	0.5
145.10181	0.9
147.08064	1.5
147.11650	4.0
149.09639	2.0
149.13281	0.7
157.10133	4.6
161.13257	1.3
161.63359	0.6
165.12799	0.6
175.11203	3.0
175.14844	1.2
193.12238	7.9
194.12589	0.7
214.41380	0.5
219.17517	0.6
232.44283	0.6
236.16508	1.9
249.14911	2.8
263.23712	2.5
267.15982	1.9
274.25470	0.5
279.75705	0.6
306.27960	5.3
307.28146	0.9
319.26224	0.6
337.27347	1.2
381.19110	0.6
529.38873	100.0
530.39221	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74382	0.6
55.05515	1.2
55.09614	0.6
57.03437	0.8
57.87471	0.6
67.05499	4.9
69.03428	4.8
71.29659	0.7
76.66531	0.7
79.01865	0.6
79.05505	2.1
81.03415	2.5
81.07053	3.3
83.04979	0.7
83.08579	0.6
85.02917	0.9
85.06516	0.7
91.05465	2.0
93.07055	1.7
95.04971	1.1
95.08610	1.1
97.02890	100.0
97.10181	1.1
98.03213	1.6
109.10156	2.2
111.08128	0.6
111.37025	0.6
113.91997	0.7
117.07064	1.0
119.08569	0.7
121.06506	1.2
121.10088	0.8
125.02303	0.8
129.06947	0.6
133.10077	1.0
139.03902	13.4
143.03421	1.5
149.09602	0.8
153.01828	33.4
153.02754	1.5
154.02205	0.9
157.04997	0.9
163.11208	1.3
173.11737	1.2
177.05493	2.1
193.12189	0.8
195.61746	0.7
198.64537	0.7
208.24213	0.6
213.13113	0.6
213.87315	0.6
229.14381	2.5
230.14865	0.9
249.03923	16.1
250.04254	1.2
267.15891	1.0
283.15308	0.7
303.05008	1.1
326.15707	0.6
369.08151	5.2
381.62518	0.8
383.53802	0.7
459.27350	1.2
477.27478	0.8
553.29279	0.6
583.35565	0.7
639.27496	0.7
671.31927	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	671.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
65.03931	1.9
65.33990	0.5
67.24227	0.3
68.99796	0.6
69.03445	0.4
69.73490	1.7
77.03920	1.1
81.03414	0.8
85.02904	0.6
89.03904	1.4
91.05489	26.3
92.05801	0.5
93.03424	0.6
95.04977	0.5
98.23367	0.4
98.93085	0.4
103.05459	1.0
105.03377	0.9
109.02898	0.8
109.13887	0.4
111.00783	0.5
117.03389	1.5
119.04955	41.1
120.05302	0.8
121.02870	1.2
121.06470	0.6
127.74242	0.4
129.03381	0.7
131.04901	0.5
132.02055	2.2
133.02831	1.0
135.04355	1.0
136.05182	0.5
137.02364	2.9
137.05963	0.8
137.28316	0.5
145.02858	3.9
147.04419	35.2
148.04762	1.1
149.02364	2.0
149.05998	0.8
153.01807	3.8
157.03986	4.3
161.06000	0.8
163.03889	0.6
164.04681	1.2
165.01872	1.8
175.03925	53.4
176.04272	2.6
177.05475	5.2
179.07008	3.0
192.04167	0.8
193.05069	0.5
201.05487	1.8
207.06541	100.0
208.06888	3.4
219.06737	0.5
225.07506	0.4
229.05005	4.4
235.06140	0.5
247.06108	0.8
257.04486	2.8
274.04800	0.8
285.03775	1.0
303.05017	68.4
304.05319	4.0
318.03833	1.4
333.06000	2.7
345.06198	0.5
351.10748	1.4
369.11862	8.9
370.12265	0.7
523.71210	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	671.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03946	0.7
53.40085	0.2
55.01872	0.3
65.03930	2.0
68.94221	0.3
69.03431	2.3
69.21459	0.8
69.21883	1.3
77.03941	0.4
81.03421	3.8
85.02918	1.0
89.03913	1.4
91.05488	21.8
92.05811	0.7
93.07070	0.4
95.04995	0.5
97.02883	0.6
103.05473	0.6
105.03373	0.6
107.04940	0.6
109.02845	1.3
111.00783	0.3
117.03374	2.1
118.04168	0.3
119.04951	32.5
120.05281	0.8
121.02858	0.8
121.06524	2.2
122.06789	0.4
123.04448	0.4
127.03914	1.3
129.03380	0.6
131.04947	0.4
132.02065	1.7
133.02872	0.8
134.03653	0.4
135.04440	0.9
136.05151	0.4
137.02304	0.8
145.02863	5.1
145.69022	0.3
146.03351	0.4
147.04417	28.0
148.04762	1.0
149.02380	1.5
149.05975	1.2
151.03918	0.8
153.01855	1.6
153.05516	0.3
157.03979	3.4
157.06483	0.3
161.06018	0.3
163.03940	0.8
164.04697	1.1
165.01820	0.5
167.07030	0.4
173.05986	0.3
175.03917	46.8
176.04272	2.0
177.05478	7.8
179.07071	2.8
183.02890	0.2
187.07535	0.4
189.05312	0.3
191.06990	0.5
192.04161	1.1
192.07880	0.5
193.04970	0.3
193.08505	0.4
195.06677	0.4
201.05402	1.5
205.04738	1.4
207.06537	100.0
208.06865	4.2
225.07597	0.7
229.04968	1.3
257.04449	0.7
263.07068	0.3
265.08704	0.3
268.13791	0.3
274.04797	0.3
285.03659	0.3
303.05008	22.4
304.05536	1.3
318.03726	1.3
321.09702	0.5
323.09219	1.0
333.06085	2.6
351.10773	6.5
351.14899	0.4
352.11090	0.5
369.11902	3.4
407.60168	0.3
471.40619	0.3
488.17270	0.6
509.13568	0.5
509.19858	1.2
671.18689	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	671.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01877	7.5
55.05513	32.6
56.56146	1.3
57.03439	9.6
59.04999	1.9
65.03960	1.5
67.05508	32.9
69.03433	7.7
69.07066	8.9
69.55697	4.6
69.56097	2.9
71.02311	1.3
71.04994	5.8
79.05492	36.2
81.03421	29.2
81.07059	30.9
82.81673	1.4
83.04990	9.5
83.08618	20.7
83.09074	2.6
85.02898	4.0
85.06511	2.5
91.05485	25.2
93.07042	28.3
95.04974	23.1
95.08614	13.4
97.02910	4.1
97.06531	5.7
97.10174	25.1
98.23361	1.8
99.04461	1.7
105.07021	18.1
107.04950	22.6
107.08593	16.2
109.02864	2.5
109.06507	11.9
109.10171	10.0
111.04449	3.3
111.08092	5.4
115.05475	2.6
117.07036	9.0
119.04946	1.6
119.08598	12.5
121.06497	20.4
121.10117	8.3
123.04420	3.9
123.08082	6.3
125.05974	2.3
125.09633	22.9
127.03944	1.6
128.06168	1.4
129.06992	10.3
131.04909	3.0
131.08563	13.7
133.06493	5.0
133.09229	1.5
133.10078	8.5
135.04407	2.0
135.08069	10.6
135.11697	3.5
137.05954	1.7
137.09705	2.0
139.11154	1.6
141.06993	4.2
142.07755	1.8
143.08554	5.2
145.06490	11.3
145.10110	8.4
147.04434	2.6
147.08052	5.2
147.11630	7.6
149.06021	1.7
149.09613	4.5
153.09117	4.8
153.12866	1.3
155.08551	3.0
157.06525	2.5
157.10115	6.4
157.77193	1.4
159.08080	3.7
159.11728	4.0
161.05945	3.9
161.09618	4.5
163.11229	5.8
167.08554	2.2
167.10802	1.9
169.10120	3.1
171.08037	1.5
171.10266	2.1
171.11708	4.2
173.04471	2.2
173.09665	2.9
173.13309	2.9
175.11145	5.5
181.10089	2.3
185.09644	2.3
185.13289	3.5
187.11147	2.9
187.14832	2.0
189.11252	10.7
189.12753	3.0
191.14299	2.8
193.12236	11.9
195.08276	1.5
195.11739	3.1
197.13249	2.0
199.11211	2.6
201.12813	2.7
205.12335	2.0
211.13371	5.9
213.12743	2.9
215.14351	3.3
219.13802	4.8
223.11159	1.8
223.13248	2.8
225.12790	1.8
227.12848	5.1
231.13782	2.2
233.15341	6.5
235.13446	1.4
237.12697	2.8
241.14259	2.1
249.14725	1.8
255.13773	3.0
259.13309	1.9
267.15881	17.2
273.14749	11.2
273.17087	1.3
275.16458	2.5
293.17435	1.7
301.14124	1.5
321.21957	1.4
338.80612	1.6
339.23145	3.4
349.21454	8.5
357.24167	2.7
367.22632	29.1
368.22931	2.7
385.23700	45.2
386.24084	4.9
403.24796	14.3
404.24783	1.5
405.24088	2.3
417.26254	1.7
433.25757	1.8
441.21170	1.8
441.26270	8.3
459.27411	100.0
460.27853	10.8
477.28485	72.6
478.28638	8.2
491.29971	12.3
494.88889	1.6
501.28745	1.9
509.31125	4.2
621.31702	2.7
671.32043	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	671.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.05511	1.6
57.03439	0.9
57.07093	1.1
64.01865	0.7
67.05511	5.3
67.76672	0.7
68.98626	3.8
68.99061	2.5
69.07069	1.3
71.08617	0.8
78.97807	0.6
79.05517	1.4
81.07047	5.0
91.05494	1.0
93.07026	3.3
93.76300	0.8
95.04954	0.7
95.08627	2.8
97.10139	0.8
105.07097	1.1
107.08605	1.7
108.76299	0.7
109.10142	1.5
111.42421	0.8
121.10137	1.5
131.08600	1.0
135.11700	1.4
154.68459	0.7
171.37614	0.7
192.71400	0.7
301.21051	0.9
319.22296	4.7
375.25095	4.6
509.19653	0.8
573.48651	1.6
671.48566	100.0
672.48865	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	672.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99874	0.7
53.03939	1.4
69.32880	1.7
69.33289	2.7
77.03939	0.8
79.05492	1.2
85.02917	2.0
89.03917	5.5
91.05483	16.0
93.07060	10.3
95.04994	2.7
103.05472	7.7
105.03367	1.0
105.04507	1.3
107.04983	2.6
115.05460	0.8
117.03393	13.6
117.07032	1.3
119.04944	14.0
120.05737	1.7
121.06511	58.9
122.03646	1.2
122.06886	1.3
124.05243	1.3
131.04951	2.3
133.02863	7.1
133.06520	1.2
134.06009	3.8
135.04460	1.8
136.07599	4.1
137.05988	18.5
138.06349	1.1
145.02853	49.4
145.06474	2.0
146.03271	1.3
147.03310	1.5
147.04413	12.6
149.05975	8.3
150.06783	2.3
151.07539	3.8
157.03879	0.8
158.03685	1.8
160.05197	1.1
161.05974	4.7
162.05522	1.6
162.06732	1.9
163.07547	2.7
164.07085	2.0
165.05547	1.9
173.05986	4.4
175.03906	6.5
175.07587	1.2
177.05479	100.0
177.09131	4.2
178.05815	3.7
179.07019	4.1
186.03168	1.9
189.05510	1.3
192.06602	11.0
201.05475	39.3
202.05869	2.3
203.07098	1.1
207.06438	1.4
213.05490	4.3
215.07043	0.8
219.06525	1.4
221.11736	1.4
231.06638	1.8
233.05933	2.0
234.06520	1.0
237.09111	1.1
249.09180	1.2
265.08652	1.8
277.08661	1.3
283.09384	0.8
293.08179	1.2
294.08780	0.9
305.07950	4.6
307.09653	2.5
309.10873	0.8
310.08557	0.9
312.12326	36.8
313.12650	3.1
314.13846	5.5
319.09659	1.0
325.10715	8.5
331.15512	1.5
337.10678	3.8
338.13998	2.7
355.11758	17.6
356.11459	0.9
356.15247	1.3
376.88953	1.0
442.16415	1.1
462.19174	17.2
474.19070	3.2
492.20230	26.5
493.20245	2.0
510.21259	34.2
511.21655	5.7
672.20081	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	672.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28173	0.7
51.03133	0.7
52.61449	0.7
53.03936	3.1
55.01881	1.6
55.05519	10.7
57.03432	4.9
57.07066	1.0
65.03941	1.4
67.05508	30.6
69.07070	9.3
70.53697	1.1
71.04991	1.6
73.06553	0.9
73.22476	0.7
73.22910	0.7
79.05499	33.4
80.05821	0.9
81.03401	3.7
81.07062	37.4
83.04996	5.4
83.08633	6.1
85.02880	1.2
85.06544	2.1
91.05490	22.8
93.07049	36.0
94.07372	0.8
95.04967	8.0
95.08607	14.3
97.02925	1.1
97.06527	5.4
97.10133	1.9
105.04562	1.0
105.07033	15.6
107.04946	2.0
107.08591	14.1
109.06529	2.8
109.10164	2.2
111.08087	2.4
112.82214	0.8
115.05473	1.2
117.07032	6.3
119.08566	8.0
121.06521	2.0
121.10143	5.5
123.08046	2.0
123.11658	0.9
123.60519	0.8
127.07542	1.3
129.06998	5.0
131.08546	4.2
132.94080	0.8
133.10126	8.0
135.11705	3.8
143.08606	4.2
145.10123	3.6
147.08049	1.2
147.11681	12.5
149.13277	5.9
159.11729	2.8
161.09634	1.2
161.13219	4.1
171.11667	6.9
177.12653	1.8
184.07358	0.8
189.12724	2.8
195.13872	3.9
207.13817	10.8
208.14195	1.0
269.17471	19.5
270.18030	0.8
281.17499	22.5
282.17859	1.0
473.96835	1.0
475.30563	100.0
476.30899	13.5
619.34607	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	672.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01876	2.6
55.05516	9.9
57.03439	6.0
59.05024	2.0
67.05507	31.8
69.07074	8.4
71.29343	2.8
74.64789	1.7
79.05499	38.4
81.03423	3.2
81.07065	34.6
83.04978	5.6
83.08640	5.5
85.06564	2.1
91.05490	25.4
93.07058	39.2
95.04951	9.2
95.08614	13.9
97.06544	6.2
105.07043	15.3
107.04990	4.0
107.08599	12.8
109.06493	2.5
109.10178	3.5
111.08121	2.7
117.07068	4.5
119.08593	9.6
121.10146	9.3
123.08089	1.7
123.11673	1.7
123.46597	1.4
129.07031	6.2
131.08604	4.5
133.10168	5.4
135.11710	2.9
139.11232	1.7
143.08600	4.5
145.10170	3.5
147.11700	9.3
149.13290	9.8
159.11740	4.7
161.13266	5.1
171.11736	7.1
177.12779	2.3
184.07391	3.0
189.12746	2.5
192.28401	1.7
195.13950	5.4
207.13812	10.8
211.10605	1.6
269.17511	27.3
281.17502	26.0
475.30597	100.0
475.87079	2.0
476.30991	13.7
620.56976	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	672.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08736	1.5
51.02345	1.4
53.03938	2.9
54.20436	1.5
54.26026	1.3
55.01873	4.3
55.05515	12.4
57.02256	1.4
57.03202	1.3
57.03434	9.2
57.07076	1.4
59.04996	1.4
59.93525	1.4
61.02925	1.4
61.10968	1.5
65.03926	3.1
67.05509	39.7
68.05835	1.3
69.01941	3.9
69.02349	6.1
69.07066	13.7
71.04982	4.1
79.05495	44.3
81.03422	7.2
81.07062	46.9
82.07406	1.7
83.04987	10.4
83.08622	10.7
85.02910	2.7
85.06546	2.5
91.05485	33.7
91.06023	2.9
93.07048	44.6
93.07629	2.6
95.04977	10.7
95.08600	17.8
97.02898	2.4
97.06547	7.6
97.10148	3.5
102.23306	1.3
105.07031	20.2
107.04952	3.4
107.08597	19.2
109.06507	7.6
109.10136	4.5
111.04506	1.8
111.08015	3.5
117.07021	9.7
119.08585	14.3
121.06478	1.8
121.10110	7.7
122.10432	1.6
123.08085	4.6
125.09640	2.9
129.06996	7.2
131.08574	5.4
133.10114	10.1
135.08049	1.9
135.11726	4.9
143.08549	3.2
145.10135	5.0
147.11678	14.6
149.09607	2.9
149.13278	8.9
156.55209	1.4
157.10172	2.3
159.11693	4.1
161.09692	3.4
161.13287	2.9
163.11125	2.8
171.11690	9.3
189.12701	3.4
193.12262	2.5
195.13794	4.8
207.13818	10.0
225.12755	1.8
264.47263	1.5
267.15945	2.4
269.17471	29.9
270.17865	2.4
273.18649	1.5
275.20111	3.9
281.17468	33.6
281.20547	2.2
282.17731	2.4
283.15417	3.1
291.19550	5.5
378.25613	1.6
475.30640	100.0
476.30853	13.3
635.96069	1.7
673.41345	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	672.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01867	2.1
55.05510	1.9
60.65607	0.6
65.03933	1.2
67.05505	11.6
68.99807	1.1
69.03423	3.0
69.07071	2.9
71.01351	0.7
71.05005	1.0
71.43913	0.8
71.95676	0.7
79.05499	13.2
81.03418	30.5
81.07056	10.3
83.01315	0.9
83.04976	2.2
83.08628	1.7
85.02901	1.5
91.05479	12.1
93.07047	11.8
95.04979	13.1
95.05560	1.2
95.08614	8.5
97.02869	1.5
97.06532	2.1
97.10154	1.0
98.23434	1.4
99.00856	1.3
99.04487	1.5
103.05489	2.8
105.03389	0.7
105.04540	0.9
105.07027	8.7
107.04977	5.3
107.08589	3.7
109.02892	1.1
109.06532	1.7
109.10146	2.7
111.00784	0.7
111.04469	2.2
111.08081	1.4
117.07012	3.9
119.04971	0.9
119.08588	6.0
121.02879	2.2
121.06508	68.3
121.10140	5.7
122.06819	1.7
123.04420	8.1
123.08083	1.9
123.11721	1.9
124.04768	1.2
125.02355	0.8
125.05975	1.7
126.10716	0.7
127.03944	2.6
129.07027	2.8
131.04965	0.8
131.08574	3.9
133.06535	2.1
133.10149	2.6
135.08081	1.0
135.11711	3.3
137.05963	1.5
137.09590	1.4
137.13298	0.7
138.09126	14.9
139.03902	25.2
140.04231	0.9
141.05516	1.4
141.07030	1.0
143.08554	1.8
145.02875	0.8
145.06538	1.5
145.10121	3.7
147.04407	0.9
147.08031	3.3
147.11716	2.3
149.05984	2.2
149.09746	0.7
149.13283	1.2
151.03897	5.6
151.11206	0.9
153.05495	2.5
155.08569	0.8
157.06502	0.8
157.10153	1.0
159.08104	1.1
159.11719	1.6
161.05934	1.5
161.09598	1.7
161.13348	1.3
163.03932	3.3
163.07608	1.6
165.05490	10.3
165.09116	1.0
167.03435	3.2
169.10202	1.1
171.08029	1.5
171.11707	1.1
173.05934	1.2
173.09666	1.1
173.13210	1.2
175.03922	4.7
177.05498	3.2
179.07127	0.8
183.08090	1.0
183.11760	0.8
188.91237	0.7
189.05493	1.4
189.09163	1.4
191.03432	1.6
191.07025	2.8
193.05005	3.0
197.09575	0.8
201.12729	0.7
203.07050	2.0
205.12241	0.8
209.04504	1.2
221.11681	0.8
227.07059	1.6
243.10207	3.1
245.08157	1.2
256.48828	0.7
316.16104	0.7
359.22205	1.0
411.25354	1.8
431.24179	0.9
445.27423	3.2
463.28418	16.6
464.28580	1.0
481.22522	1.8
481.29489	35.0
482.29755	4.2
499.30554	100.0
500.30957	9.2
517.31622	16.7
518.31921	2.7
609.44952	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	672.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
55.05515	11.9
57.03449	6.6
57.07083	39.8
61.02934	14.8
65.03960	1.6
67.05511	23.9
68.05833	1.4
69.03439	4.8
69.07070	12.9
71.04999	2.3
71.08636	32.1
71.27897	2.0
73.02925	6.6
75.04487	2.2
79.05494	12.6
81.03416	5.6
81.07069	36.5
82.03736	1.3
82.07393	2.5
83.04990	4.2
83.08621	14.3
85.02912	19.3
85.06572	1.7
85.10188	17.4
91.03952	15.6
91.05499	14.7
92.05791	1.3
93.07053	12.8
94.07397	2.8
95.04975	6.8
95.08618	35.2
96.08961	2.3
97.02905	8.3
97.06551	1.7
97.10181	9.0
99.04446	1.7
105.07029	11.7
106.07357	2.3
107.04977	4.4
107.08585	6.9
109.02893	1.9
109.06537	5.0
109.10159	14.6
109.45032	1.4
111.04427	2.2
111.11729	2.0
117.07028	4.5
119.08569	9.3
120.08929	1.8
121.06518	2.2
121.10139	5.5
123.07993	1.8
123.11709	5.0
125.09671	1.4
127.03919	6.9
129.07010	3.7
131.08586	6.5
133.06514	1.5
133.10133	4.6
135.08055	1.6
135.11717	4.1
137.13318	1.5
143.08556	2.5
145.04996	7.3
145.10129	5.3
147.11705	3.8
149.09616	2.9
157.10197	2.4
158.10504	1.7
159.08038	2.1
159.11731	2.5
161.09622	2.2
163.06067	11.7
163.11218	2.0
169.10165	2.4
172.12044	1.6
183.11684	1.5
221.22537	1.5
239.23695	26.3
257.19022	1.9
257.24841	5.1
269.17557	1.2
273.18359	2.2
275.20001	5.8
283.20694	1.4
289.18008	2.2
291.19525	5.2
308.20413	1.2
313.27377	100.0
314.27689	7.4
331.28436	29.7
332.28860	1.8
365.23422	1.4
567.31970	1.5
636.38550	2.4
654.40253	2.2
655.41339	1.8
672.42010	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	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.5
57.03433	4.6
57.07080	36.9
61.02930	14.2
67.05507	11.5
69.03426	2.4
69.07069	7.2
69.16619	1.7
69.17018	5.0
69.25755	1.1
71.04993	0.9
71.08642	26.1
73.02922	4.6
75.04473	2.5
78.98473	0.9
79.05505	2.7
81.03406	2.1
81.07059	19.5
83.08632	12.2
84.36716	0.9
85.02908	15.1
85.10184	16.6
87.78064	0.9
89.06007	1.3
91.03959	11.5
91.05489	1.6
93.07063	2.1
95.04974	1.5
95.08611	23.4
95.09231	1.2
96.08981	1.1
96.92253	3.7
97.02896	5.8
97.10182	6.8
99.11739	2.2
103.07590	2.0
105.07054	1.5
107.08606	1.1
109.10168	11.3
111.11702	1.2
115.03970	1.1
119.08571	1.7
121.10175	1.4
123.11714	3.4
127.03906	4.7
133.14162	0.9
137.13240	2.3
145.04970	6.3
147.11671	1.1
163.06001	9.1
239.23706	23.0
257.24789	4.8
313.27368	100.0
314.27737	8.0
331.28439	25.6
332.28806	2.6
475.32483	3.6
575.38782	1.8
673.40820	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	672.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83644	0.2
52.91645	0.2
56.05038	0.7
60.07883	0.4
60.08163	5.2
63.20047	0.3
67.05499	1.1
71.07373	3.3
71.29392	0.3
71.30210	0.3
79.05502	0.5
81.03385	0.3
81.07039	0.5
86.09708	29.5
87.10048	0.9
91.05461	0.4
93.07040	0.7
95.08642	0.6
98.98460	3.4
100.39583	0.3
104.10732	1.8
107.08609	0.4
109.10181	0.4
125.00003	18.5
143.01057	0.3
184.07346	100.0
185.07663	1.6
190.00870	0.3
356.57709	0.3
368.92706	0.3
377.70862	0.3
384.05194	0.3
465.17966	0.3
627.99866	0.3
672.42419	2.6
673.42511	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	672.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01870	1.1
55.05509	4.6
67.05506	1.9
69.79788	2.3
70.06594	52.9
72.08157	41.1
79.05520	1.1
81.03423	1.9
86.09708	100.0
87.10049	2.2
91.05484	2.7
93.07066	1.9
95.08632	1.2
96.21204	0.8
97.07651	4.6
103.05458	2.1
105.07068	2.3
107.04957	1.2
107.08611	1.2
109.02935	0.9
112.11258	1.5
115.08695	59.1
116.09037	1.1
119.04917	0.9
120.08106	70.7
121.06537	3.6
121.08424	1.3
126.12816	1.9
126.25092	0.8
134.12575	0.9
137.05978	3.6
138.06337	1.1
138.12831	2.0
140.14331	1.1
141.10240	1.6
145.10130	0.8
146.09656	1.2
147.04446	2.3
151.03906	1.3
154.15916	2.1
157.13383	10.3
161.06029	1.8
165.10255	2.5
167.07074	1.2
169.13368	2.4
171.14946	10.1
172.11287	1.6
174.12791	1.7
177.05498	1.7
179.11865	1.1
183.14964	2.9
185.12849	13.4
185.16469	10.4
188.14394	2.2
193.13441	1.6
196.14444	3.1
199.14424	8.5
199.18048	13.8
201.05475	1.3
207.08279	0.9
208.14644	0.9
210.16072	3.9
213.15941	9.1
217.13403	9.7
219.15018	4.0
225.19618	2.5
226.13269	1.0
227.17545	10.3
228.17236	0.9
233.16472	6.0
239.21179	1.4
247.14511	3.4
253.19151	1.6
261.16028	4.2
262.15521	21.1
263.15790	1.6
267.20679	1.3
287.17679	1.3
298.21283	8.0
312.22906	6.7
317.06689	1.3
332.19739	3.3
357.22879	2.2
360.22760	1.1
361.22391	2.9
374.24533	1.0
375.24048	4.0
380.33209	0.9
383.30234	7.3
411.29608	7.1
417.28458	1.6
431.30029	1.0
445.28238	6.9
446.27722	3.1
459.29605	2.8
460.28421	1.9
464.20035	1.1
474.30698	2.3
530.36871	4.3
553.37610	1.0
558.36481	8.5
559.36194	6.7
573.37604	3.5
654.43146	12.5
655.42603	4.2
672.44415	67.8
673.33575	2.7
673.44348	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	5.4
58.06603	1.1
62.06095	4.3
69.77953	4.4
70.51687	0.9
71.08636	3.7
77.16826	0.9
79.65614	1.0
81.07057	2.0
85.10183	1.6
95.47027	1.0
98.23329	1.6
105.07072	1.0
107.08675	1.4
107.14392	1.1
109.06501	1.3
128.89626	1.0
156.15941	0.9
160.27277	0.8
170.75423	0.9
189.54021	1.1
200.83519	1.0
201.74927	0.9
240.26915	3.7
258.27945	100.0
259.28427	5.3
291.19397	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	673.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87248	6.5
55.66314	5.0
67.60258	6.5
69.74654	21.7
80.62061	5.8
122.36730	6.1
126.04576	7.1
140.63148	6.0
174.89589	10.1
180.68036	6.1
182.80801	5.5
487.81815	7.0
500.92493	6.8
673.04449	100.0
674.05066	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	673.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01866	0.9
55.05514	1.8
57.03428	1.0
59.16774	0.5
64.24213	0.5
65.03945	0.6
67.05505	4.7
69.03418	0.6
69.07062	1.1
71.04984	0.7
79.05492	4.9
80.05027	0.5
81.03415	6.4
81.07052	4.3
81.77140	0.5
82.06585	0.8
83.04984	1.9
83.08606	1.1
85.02909	1.3
85.06564	0.6
91.03959	0.6
91.05489	5.1
93.07052	4.7
94.06554	2.7
95.04982	3.6
95.07362	1.3
95.08622	1.2
96.08138	6.0
97.02883	0.8
97.06542	1.2
97.10154	0.7
105.07052	2.2
107.04978	2.2
107.08599	1.7
107.16316	0.6
108.08103	4.4
109.06502	0.6
109.10180	2.2
110.09683	9.9
111.04453	2.4
111.08090	1.0
119.08588	2.4
120.04431	1.0
120.08118	7.4
121.06539	1.5
121.10144	1.5
122.06066	2.8
123.04411	0.6
124.07668	0.7
128.35310	0.6
129.07004	0.8
131.08551	1.3
133.10138	0.7
134.06038	1.5
135.08124	0.6
135.11708	1.5
136.07619	3.7
138.09129	10.8
139.65286	0.8
145.02885	1.7
145.06540	1.0
145.10130	2.0
146.03185	0.8
147.11752	0.7
148.07588	2.0
149.09613	1.0
150.09186	0.8
153.12770	0.9
157.10207	1.0
163.11208	3.1
166.08647	12.4
173.09729	1.4
175.11263	1.0
177.05504	2.9
178.05870	0.8
181.12172	0.9
185.13184	0.5
191.10699	1.8
193.12297	1.3
209.10825	2.0
223.08708	0.9
223.12390	1.5
225.10201	0.9
227.12820	1.0
234.07719	0.8
235.08720	2.4
236.09418	5.2
237.10226	17.1
238.10762	1.3
239.11891	0.6
247.08829	0.8
248.09473	0.7
249.10202	11.4
250.07590	0.8
250.10979	3.7
251.08237	0.9
251.11800	4.0
253.09828	1.8
261.10330	2.0
263.08267	2.0
263.11868	1.0
264.08957	9.3
265.09741	8.3
265.14374	1.3
266.10312	1.0
267.11356	3.7
267.15848	4.8
268.11996	0.6
269.09122	0.6
274.99667	0.6
275.08173	0.7
276.08923	0.6
277.09744	10.5
278.07382	1.0
278.10495	3.8
279.08191	1.0
279.11264	10.2
280.08905	0.6
280.11975	2.4
281.09250	3.0
281.12772	0.6
282.10046	1.1
283.10782	0.8
283.15405	5.5
289.09906	1.1
291.07703	1.7
291.11255	1.0
292.08414	2.0
292.11923	1.0
293.09241	39.2
293.12750	4.0
294.09677	4.4
294.12680	0.8
295.10718	3.0
296.11432	0.6
297.08649	0.7
301.16489	3.1
305.09180	7.4
306.09973	1.5
307.10764	8.1
308.11328	1.0
309.08731	1.6
309.12463	2.9
309.16034	0.5
310.12805	0.6
311.10327	1.5
311.13843	1.0
312.11093	1.7
313.11938	1.7
316.14398	0.6
319.10919	1.1
321.12469	0.8
322.13501	0.6
323.10321	4.9
323.13861	0.8
324.11331	0.8
325.11841	3.0
326.12640	0.8
327.13437	1.6
330.12341	0.8
333.08777	5.4
335.10443	0.8
337.11719	3.3
339.13388	8.0
340.14212	1.0
343.12888	1.0
351.09763	20.4
352.10178	1.3
353.11310	1.9
353.15112	1.5
354.12302	2.0
355.13110	2.0
356.14026	1.3
364.14661	0.8
365.11432	3.5
366.12122	3.5
367.13062	1.2
368.13986	1.9
369.14639	1.2
370.11606	1.2
371.12158	3.1
382.11572	1.7
382.15839	1.2
383.12292	6.1
383.15921	0.6
384.12857	1.1
384.17212	0.9
385.14053	2.7
396.13470	0.9
397.13995	4.4
398.14450	3.3
398.19199	0.7
399.15469	0.8
400.16595	0.9
410.15100	0.7
412.16794	1.2
413.17987	1.1
416.16068	1.0
418.17575	2.7
428.16141	1.5
438.14603	3.6
442.17981	0.6
444.19601	0.9
446.17068	9.8
446.22592	0.9
447.17462	0.8
448.18890	0.6
450.89288	0.5
456.15543	6.1
457.16019	1.1
457.25806	0.7
458.17145	1.3
459.27243	0.9
475.26801	3.2
476.18155	5.3
477.18613	1.0
478.19638	10.5
479.20047	1.6
486.16956	0.7
488.17935	2.6
490.19727	0.6
493.27997	4.0
504.17276	1.2
518.19171	1.2
519.19806	3.5
520.20752	1.6
523.23535	0.7
536.20154	4.3
550.21881	39.8
551.22607	100.0
552.22980	12.8
591.22406	1.0
609.23547	3.3
623.25031	2.8
641.26050	13.4
642.26257	1.8
673.34552	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	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.05503	1.8
56.77095	0.7
62.52181	0.7
67.05508	3.6
79.05506	2.6
81.03433	1.5
81.07061	2.7
83.08635	1.4
87.59721	0.9
91.05495	3.2
93.07058	4.1
94.06578	3.0
95.04983	1.7
95.07351	2.0
95.08624	1.3
95.27323	0.6
96.08134	5.6
97.06566	1.7
97.10143	0.9
98.23362	1.5
105.07037	2.0
107.04944	0.8
107.08614	2.2
108.08125	4.1
108.08780	0.7
109.10177	1.1
110.09688	9.9
117.07036	0.9
120.04430	1.1
120.08101	6.5
121.06487	1.0
122.06049	2.8
125.09657	1.3
129.07045	0.8
133.10139	1.7
134.06017	1.1
135.11656	0.9
136.07579	4.3
138.09119	10.4
145.10126	1.4
148.07596	2.6
154.61633	0.7
157.10245	0.8
163.11235	1.3
166.08646	13.6
166.09868	0.7
208.10051	1.2
209.10764	2.1
235.08733	3.2
236.09459	5.5
237.10251	18.1
237.12598	0.9
238.10860	1.4
239.08308	1.1
249.10220	12.9
250.07347	1.1
250.10963	2.6
251.08331	0.8
251.11810	3.9
253.09772	2.6
258.94055	0.9
258.97385	0.7
261.10300	1.2
263.08261	3.5
263.11719	1.6
264.08966	8.4
265.09668	7.2
266.10474	1.6
267.08786	0.9
267.11295	4.9
269.09296	1.3
277.09732	11.5
278.07657	0.8
278.10480	4.4
279.07980	1.2
279.11295	10.4
280.11960	2.3
281.09253	2.9
281.12686	1.1
283.10852	1.0
289.09808	1.7
291.07831	1.8
292.08395	2.0
292.11887	1.2
293.09241	43.5
293.12701	3.8
294.09586	3.5
295.10907	3.1
297.09158	0.9
297.12540	1.3
304.08490	0.8
305.09152	6.9
306.09854	1.2
307.10767	10.1
308.11206	1.4
309.08777	2.1
309.12463	3.2
310.09357	1.3
311.10294	2.3
311.14014	2.1
312.11111	2.6
313.11804	2.0
319.10788	1.0
323.10202	4.8
324.10995	2.0
325.11722	3.8
326.12344	1.0
327.13556	1.1
333.08701	4.9
337.11719	4.0
338.12534	1.0
339.13370	7.3
342.15823	1.0
343.12894	0.8
351.09766	19.1
352.10190	1.6
353.11395	1.4
353.15317	1.6
354.12411	1.8
355.12811	1.9
365.11258	4.6
366.12106	3.8
367.13040	1.2
368.13879	1.9
369.14597	1.7
370.11646	1.2
371.12494	3.3
382.11484	1.7
382.15878	1.3
383.12292	6.7
384.13086	1.2
385.13794	3.6
385.23669	2.1
390.18118	1.3
397.14005	5.4
398.14801	3.3
410.14935	0.9
412.16846	1.0
418.17633	3.1
428.16394	2.1
438.14618	2.1
446.17081	8.8
456.15454	5.9
458.17270	1.7
459.27557	6.3
476.18198	4.4
477.28668	5.8
478.19733	10.9
486.16461	1.2
488.18170	3.0
490.19754	1.1
518.19220	2.6
519.20111	4.0
520.20502	1.1
522.22278	1.0
536.20483	4.3
550.21863	46.3
551.22632	100.0
552.22931	11.7
609.23560	3.4
623.24274	1.5
641.26068	9.3
642.25885	2.1
673.34454	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	673.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02944	0.5
51.06419	0.5
53.03952	0.8
55.01875	0.8
55.05515	1.2
57.03444	0.5
62.12781	0.6
65.03945	0.5
67.05506	4.6
69.03418	0.9
69.07092	0.6
71.04992	1.3
77.40390	0.6
79.05484	2.4
81.03416	2.2
81.07061	3.4
82.47514	0.5
83.04956	0.9
83.08619	0.8
85.02906	0.9
86.09697	1.1
89.03892	0.7
91.05490	2.7
93.07042	2.8
94.06567	2.6
95.04967	2.2
95.07314	0.5
95.08615	1.5
96.08124	1.7
97.02879	1.1
97.06526	0.5
105.07009	1.8
106.06573	0.6
107.08610	1.2
108.08119	1.8
109.02975	0.6
109.06545	0.7
109.10160	1.0
110.09666	1.7
111.04477	0.6
115.88186	0.5
116.04970	2.4
117.06972	1.0
119.08596	1.4
120.04506	0.6
120.08112	0.9
121.06618	0.7
121.10132	1.2
122.06051	3.9
122.96043	0.6
124.07598	5.1
129.07011	0.9
131.08580	0.7
133.06483	0.6
133.10136	1.2
135.11751	0.7
136.07538	2.7
138.09143	2.5
140.07059	0.9
144.04453	4.8
145.10179	0.9
147.11699	0.7
148.07594	1.1
150.05507	2.2
152.07031	0.8
157.10226	0.9
162.05475	1.2
166.08623	1.8
168.06584	1.1
172.03932	18.9
182.08127	1.6
184.07359	3.5
185.10789	2.0
187.12372	0.8
190.04996	7.3
197.10852	0.6
198.09186	1.5
199.12253	1.1
201.10123	3.0
204.04648	1.4
204.06572	26.0
205.06915	1.2
211.08562	0.9
212.10661	1.8
213.10266	2.4
214.10748	1.0
215.11758	2.6
218.08194	0.9
225.10281	3.0
226.08875	0.7
227.08153	2.1
227.11740	1.1
228.12622	1.8
229.09709	2.4
239.11841	1.6
240.10268	0.7
241.09702	5.4
241.13316	3.4
242.10484	10.9
243.11279	4.7
244.11934	1.7
255.11218	1.5
256.12091	8.5
257.12903	9.1
258.11343	1.9
258.13693	1.1
259.11139	0.9
267.11273	1.3
267.15836	1.1
272.12848	0.9
279.11392	0.9
284.11545	5.2
285.12375	3.9
286.12714	0.5
287.10278	2.1
289.12521	0.8
289.15530	4.3
297.12296	0.7
302.12662	2.7
314.09064	0.6
315.13287	1.0
317.14963	100.0
318.15295	8.5
325.11810	9.9
326.12204	0.9
329.11395	1.3
339.13593	0.8
343.12784	3.0
357.14502	1.9
402.60983	0.7
447.27365	1.5
459.27548	1.2
476.17978	2.1
477.28342	2.3
488.18152	2.1
597.27063	1.8
598.27942	0.7
609.23096	1.0
613.27313	1.2
623.25165	0.8
637.35022	0.7
641.25867	10.1
642.26007	1.7
658.92273	0.6
673.34460	3.8
674.35297	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	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62255	0.9
50.84942	0.9
53.03953	1.5
55.01867	1.3
55.05526	2.5
57.03448	2.6
61.02934	4.9
65.03958	0.9
67.05515	8.6
68.55830	1.0
69.03437	3.1
69.07067	1.6
71.05011	2.1
71.28213	1.1
71.51758	1.0
71.69376	1.1
73.02921	1.7
79.05503	6.0
81.03420	5.6
81.07076	4.4
83.04997	2.5
83.08638	2.1
85.02927	4.5
91.03976	2.5
91.05473	5.4
93.07069	5.6
94.06593	4.3
95.05005	3.3
95.07385	2.0
95.08620	2.5
96.08135	5.5
97.02932	4.8
97.06591	1.7
101.02428	2.1
101.61153	1.1
105.07060	3.8
107.08634	2.3
108.04466	1.4
108.08116	7.7
109.02919	1.2
109.10159	8.0
110.09673	6.4
112.99612	1.1
116.05001	1.5
117.07021	1.4
119.08621	3.1
120.04508	2.5
120.08131	5.4
121.06486	2.4
121.10167	2.0
122.06066	4.6
124.07653	4.6
127.03952	2.1
131.08640	1.6
133.10146	2.6
134.06044	1.6
136.07614	5.9
138.09149	10.3
144.04604	1.2
145.10127	1.8
146.06050	3.1
147.11801	1.5
148.07608	2.7
149.09711	1.7
150.05545	1.4
152.07153	1.4
157.10199	1.2
160.03986	1.5
162.05478	1.5
164.07147	2.7
166.08673	7.1
172.03935	5.2
173.11836	2.6
176.73038	1.2
182.08157	1.5
190.04993	9.0
193.12340	1.5
201.07588	1.1
204.06532	6.5
211.08867	1.6
211.13243	1.0
224.09547	1.6
225.10342	4.9
227.11754	1.7
237.10332	3.3
238.10872	1.5
239.11806	1.6
241.09819	2.4
243.08635	2.4
243.11272	1.3
249.10390	3.9
251.08170	1.6
251.12277	1.7
253.09859	1.9
255.11470	1.7
257.12839	1.3
263.08429	1.1
265.09836	3.3
267.11456	2.5
267.16122	1.6
269.13107	1.4
271.10635	1.4
276.55310	1.1
277.09851	3.1
278.10724	1.2
279.11414	2.4
281.09073	1.1
283.11020	4.0
283.15295	2.9
284.11548	1.4
285.12411	5.1
293.09116	1.2
295.10983	1.4
297.12424	3.6
299.10550	2.9
299.14026	8.2
305.09445	1.6
307.10687	1.4
311.10330	2.1
313.12247	1.4
314.12720	2.0
315.13763	1.6
317.15002	5.4
321.08829	1.3
323.10437	4.3
324.11319	1.5
325.11832	9.3
326.12857	3.2
327.13730	3.2
328.10956	1.3
328.14630	1.5
338.12988	2.3
340.10883	2.7
340.14532	2.4
341.11636	4.8
341.15475	1.3
342.12619	3.0
343.13187	2.9
344.14084	1.8
350.12857	1.2
351.09769	1.7
353.11655	1.9
354.12579	4.2
355.13342	4.6
356.13846	6.6
357.14676	2.8
363.09805	1.2
367.13470	2.1
368.10345	1.6
368.14090	7.2
369.14954	3.7
370.11697	1.7
370.15875	2.5
372.13147	1.4
382.11536	1.9
382.15915	5.4
383.12604	3.3
383.16763	2.3
384.12967	1.5
384.17236	4.4
392.14108	1.3
395.12781	3.5
396.13519	4.3
397.14487	2.6
398.15170	2.0
400.12582	2.1
400.17224	1.6
402.14435	2.1
410.15240	4.9
412.16656	3.9
413.13626	1.9
413.18097	10.3
414.14572	3.9
415.15268	2.7
416.16107	2.6
426.14471	2.3
428.15967	13.3
429.16635	2.6
438.14563	7.9
444.15814	3.1
446.17017	2.6
456.15482	16.3
457.16074	1.4
458.17294	1.9
459.27603	4.7
470.17255	2.1
476.18124	5.9
477.28760	2.9
479.29520	1.2
488.18271	25.0
489.18976	3.2
501.23080	6.6
520.20905	2.5
540.23743	1.6
550.22296	2.2
551.22784	2.7
565.25098	1.3
581.24280	3.1
591.22614	3.1
595.25598	2.1
609.23413	23.8
610.23785	3.9
613.27014	3.0
623.25201	7.7
641.25940	73.6
642.26349	11.1
673.34167	100.0
674.34485	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3403
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.03945	0.9
55.05513	1.1
57.03434	1.4
58.37225	0.4
59.04998	0.9
60.18310	0.4
61.02931	4.3
67.05505	6.3
69.03430	2.1
69.07080	0.5
69.96291	0.8
69.96655	0.9
70.06586	0.4
71.05004	1.6
73.02930	2.5
79.05507	1.8
81.03426	3.7
81.07065	3.4
83.04993	1.0
83.08623	1.4
85.02910	4.1
87.04482	0.8
91.03984	2.7
91.05472	2.6
93.07059	1.7
95.04982	0.8
95.08627	1.3
97.02893	3.5
99.04482	1.0
101.02403	1.1
105.07056	2.1
107.04940	0.5
107.08607	1.8
109.02911	0.7
109.10163	5.6
111.04442	0.6
111.08099	0.5
119.08592	1.7
121.06534	0.8
121.10150	2.0
127.03928	1.1
129.07011	0.7
131.08566	1.0
133.10150	1.0
147.11641	1.0
149.09668	1.6
157.10165	0.9
163.11293	0.5
173.11757	2.0
175.11234	0.7
186.19324	0.5
193.12274	1.4
195.09904	0.9
229.14452	1.3
235.13225	0.5
243.08499	1.8
267.16061	1.3
283.15213	3.0
303.05002	0.6
339.18048	1.2
387.24026	0.4
413.17834	10.3
414.18158	0.8
459.27518	1.0
477.28494	1.0
501.23044	10.0
502.23434	1.1
673.34076	100.0
674.34320	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	673.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	1.6
51.32908	1.2
53.03954	8.9
55.01881	10.4
55.05269	2.2
55.05516	25.3
57.03446	8.3
57.07085	3.7
59.05035	1.4
65.03951	6.2
67.05509	81.3
67.80465	1.1
68.05840	1.2
69.03436	34.1
69.07071	27.4
70.23859	1.4
71.01369	2.3
71.04999	8.8
71.28492	1.5
73.02921	2.1
77.03908	1.2
77.06330	1.3
78.12592	1.6
79.05499	69.5
79.16209	1.1
80.05820	2.2
81.03428	27.8
81.07063	100.0
82.07410	1.7
83.05000	10.4
83.08627	14.5
85.02922	4.7
85.06573	2.9
91.05488	64.2
92.05826	2.1
93.07050	65.3
94.07397	1.9
95.01328	1.5
95.04975	17.6
95.08617	47.9
97.02895	5.4
97.06529	16.9
97.10190	4.4
99.04469	3.3
99.08109	3.8
101.06036	1.3
103.05467	2.4
105.04509	3.2
105.07037	48.0
107.04977	9.4
107.08603	38.1
109.02895	4.3
109.06522	10.2
109.10152	16.0
111.04459	6.8
111.08109	6.6
113.09642	1.3
115.05499	4.4
117.07020	20.0
119.04910	1.9
119.08589	28.3
121.06493	6.2
121.10162	23.8
123.04468	3.0
123.08067	8.2
123.11730	6.9
125.05975	1.6
125.09648	3.2
127.03921	4.1
127.07549	1.8
128.06265	3.6
129.07016	11.6
130.07796	1.3
131.04984	1.8
131.08577	29.4
131.09508	2.3
133.06514	4.9
133.10136	25.2
135.08061	5.8
135.11705	14.0
137.06023	1.7
137.09627	2.8
141.07010	3.0
141.09111	1.5
142.07787	2.8
143.08600	8.7
145.06496	4.9
145.10152	13.6
147.08083	2.9
147.11693	13.5
149.06001	2.0
149.09634	6.0
149.13274	17.1
151.11171	2.1
153.09167	1.5
155.08554	6.6
157.06529	2.1
157.10114	6.9
159.08055	3.3
159.11693	16.9
161.09645	3.0
161.13220	7.0
162.44598	1.2
163.11230	4.1
163.14824	1.5
165.12820	3.6
167.08554	2.0
168.09389	1.3
169.10149	4.3
171.11722	5.1
173.09659	4.1
173.13315	7.2
175.11200	3.4
175.14880	1.6
177.12758	7.0
179.14359	2.9
181.10153	1.9
183.11713	3.9
185.09616	1.5
185.13295	5.0
187.11314	3.0
187.14845	3.2
189.12737	2.3
189.16487	1.7
191.14322	1.8
193.10075	1.4
195.11969	2.4
195.13852	7.7
197.13347	2.5
199.11176	1.6
199.14857	3.4
201.12788	1.5
203.10695	1.4
203.14188	1.3
209.13261	2.4
211.14864	1.6
213.12741	2.3
213.14737	1.9
215.12813	4.7
219.13855	1.4
229.12265	1.3
233.15434	2.6
234.91180	1.4
241.19510	1.2
241.88541	1.5
257.15338	1.6
257.19183	1.7
259.20615	2.4
261.22134	2.1
267.15976	1.6
269.17505	9.7
270.17783	1.7
273.22061	1.5
275.17038	2.0
275.20090	21.3
277.21323	1.8
283.20532	1.8
285.22174	1.7
289.21515	1.7
301.21564	5.0
303.23151	1.7
313.21445	1.7
319.22672	2.8
327.23026	3.2
335.25803	3.2
337.27310	2.5
339.18045	3.3
341.24826	3.8
345.23660	1.2
349.23709	7.2
351.23239	5.2
359.25430	1.6
369.24164	7.7
381.26334	2.2
387.25211	4.5
395.20807	3.2
405.26306	1.8
443.27890	3.4
461.28961	5.1
477.35843	2.8
529.38934	2.7
532.40131	3.6
623.42712	4.8
637.40723	5.6
655.42206	9.2
666.66266	1.4
673.43073	36.0
674.43073	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	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01875	14.7
55.05512	32.1
55.74193	0.5
56.05824	0.8
57.03439	8.3
57.07074	2.5
58.07693	0.6
59.04996	1.4
61.02930	0.9
65.03929	4.3
66.04722	1.3
67.05507	51.7
68.98811	5.9
69.03425	4.4
69.07071	19.6
70.06590	4.0
71.04997	4.4
73.02918	1.4
77.03912	1.3
79.05494	56.0
80.05820	0.8
81.03419	12.3
81.07057	100.0
82.07393	2.0
83.01356	0.8
83.04488	1.1
83.04982	20.6
83.08623	19.9
85.02908	5.6
85.06548	2.2
88.07638	4.2
91.05481	34.1
92.05823	0.7
93.07047	40.8
94.04177	1.0
95.04359	1.3
95.04964	20.8
95.08607	21.1
96.08953	0.7
97.02887	2.1
97.06529	10.2
97.07133	0.8
97.10169	18.2
99.04457	4.6
99.08119	2.7
102.09170	2.8
103.05476	2.0
105.04520	1.2
105.07030	27.6
106.07338	1.1
107.04958	14.1
107.08595	29.3
109.06520	12.4
109.10167	13.1
111.04445	18.1
111.08081	9.2
113.06041	1.1
115.05445	2.5
116.06245	1.2
117.07019	17.5
119.04959	1.6
119.08584	26.9
120.08935	0.9
121.06510	11.6
121.10146	16.1
123.04470	1.3
123.08069	28.8
123.11735	1.6
125.06000	2.0
125.09637	15.3
127.07600	0.9
128.06245	3.3
129.05511	0.8
129.07005	6.4
131.04974	0.8
131.08568	16.1
132.05742	0.9
133.06500	5.7
133.10124	11.0
134.10442	0.9
135.08073	7.8
135.11700	16.7
135.12697	1.3
137.05998	0.7
137.09613	6.3
137.19598	1.0
139.07567	0.7
139.11186	2.1
141.07042	1.7
142.07797	1.7
143.08563	8.3
145.06487	2.7
145.10127	21.0
147.08064	11.6
147.11642	5.1
149.02344	11.6
149.03438	1.0
149.09641	6.2
149.13245	3.8
151.11232	1.2
153.09088	3.0
153.12743	8.9
154.07817	0.6
155.08549	3.5
157.06551	1.2
157.10129	6.6
159.08046	3.7
159.11708	7.9
161.09627	10.2
161.13274	1.2
162.10069	0.8
163.07558	0.7
163.11183	27.9
164.06212	0.6
164.11504	1.0
165.09109	5.2
165.12758	1.5
169.10127	3.0
171.08087	1.2
171.10310	1.2
171.11711	4.6
173.09602	4.4
173.11848	0.8
173.13257	1.7
175.11205	5.0
177.09106	1.0
177.12758	3.3
179.10695	1.2
181.10101	1.2
181.12231	11.6
183.11758	2.2
185.09673	1.4
185.13271	2.2
187.11156	1.6
187.14824	1.0
189.11232	14.5
189.12778	2.4
191.10652	6.8
193.04942	3.5
193.10445	1.1
193.12199	4.5
195.11752	1.1
195.13832	2.8
197.13235	0.9
199.11230	2.0
199.14867	0.8
201.12766	1.0
205.12309	1.9
209.11745	2.3
211.13306	1.4
213.16437	1.3
223.13234	8.4
223.15005	0.7
227.12753	24.4
227.18008	2.5
228.13246	1.1
228.23215	10.0
231.13834	0.8
231.17561	0.9
233.15497	1.1
245.13730	1.0
245.19005	4.2
249.14899	2.5
251.16367	1.5
255.17438	5.3
263.20117	1.3
269.17465	14.3
271.17050	1.3
273.18491	47.7
274.18805	3.3
275.20108	2.2
281.17545	0.7
283.15378	17.7
289.18054	1.3
291.19547	66.7
292.19849	4.7
299.19843	0.8
309.20724	3.4
311.20145	1.4
329.21204	2.8
339.23337	0.7
347.22165	13.1
348.22598	1.5
349.23865	0.8
355.22882	0.7
365.23257	23.3
366.23572	1.9
383.24301	3.0
385.09094	0.9
395.25671	0.9
403.10336	2.4
429.11661	1.8
473.14294	3.4
477.28464	36.4
527.34100	1.6
531.33667	0.8
545.35693	0.7
563.37152	2.1
573.34247	0.9
581.37921	1.6
591.34998	1.1
637.40948	4.8
655.42181	12.8
656.42438	1.3
673.42993	15.3
674.34949	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	673.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66375	0.6
53.03953	5.0
54.04707	0.6
55.01871	7.3
55.05517	37.3
56.05854	0.9
57.03444	3.8
57.07073	1.6
58.63627	0.7
59.05005	0.9
65.03943	5.4
66.72047	0.7
67.05508	56.1
68.05825	1.5
68.46270	0.6
68.98499	1.5
68.98907	4.4
68.99780	0.6
69.03440	5.5
69.07071	21.9
71.04987	6.9
71.07385	0.6
73.02898	0.6
73.06544	1.9
75.16886	0.6
77.03938	1.2
78.18127	0.6
79.05496	56.0
80.05843	1.8
80.25510	0.6
81.03420	7.4
81.07059	100.0
82.07398	2.5
83.04978	8.3
83.08622	27.4
85.06546	4.1
86.09712	5.2
91.05485	47.3
92.05790	1.2
93.07047	41.7
94.07387	1.5
95.04976	22.2
95.08609	37.6
96.05312	1.1
96.08926	1.6
97.02884	1.6
97.06533	10.7
97.10173	4.2
99.08109	2.5
101.06046	0.9
103.05478	2.3
105.04516	2.1
105.07035	42.0
106.07353	1.8
107.04957	14.6
107.08597	25.9
108.08946	1.3
109.06524	19.7
109.10156	12.8
110.06772	0.6
110.10487	0.8
111.04455	2.0
111.08088	7.9
113.06010	1.1
113.09613	1.2
115.05472	2.6
116.06219	1.0
117.07029	13.8
119.08587	31.4
120.08955	0.8
121.06511	7.9
121.10149	18.4
122.10508	1.2
123.04449	1.2
123.08057	8.9
123.11721	8.8
125.00007	1.9
125.05927	0.6
125.09612	3.7
127.07579	1.1
128.06259	1.5
129.07007	5.4
130.07793	1.3
131.04922	0.7
131.08574	17.9
131.09500	1.2
132.08896	0.9
133.06509	2.9
133.10132	20.9
134.10522	1.0
135.08044	6.1
135.11708	10.3
137.09631	5.5
137.13278	0.9
139.11191	1.5
141.07048	2.1
142.07806	1.0
143.08557	3.9
145.06512	2.4
145.10126	17.9
146.10486	0.9
147.08054	3.4
147.11694	23.7
148.12048	0.8
149.09631	21.1
149.13237	7.3
151.11188	3.9
153.09213	1.0
154.07745	0.7
155.08519	3.2
157.10147	4.3
159.08093	2.1
159.11697	12.0
161.09636	2.2
161.13284	4.6
163.11189	19.2
163.14850	2.7
164.11586	0.7
165.12753	8.5
169.10130	2.9
171.11684	4.9
173.09653	2.8
173.13242	5.0
175.11176	3.1
177.12691	5.3
179.10669	1.2
179.14310	3.9
181.10150	1.0
183.11763	2.8
184.07355	14.8
185.13322	2.1
187.11226	2.6
187.14857	2.3
189.11267	1.5
189.12828	1.6
191.10687	1.2
191.14403	1.2
193.12300	3.2
195.13821	1.6
197.13306	2.0
199.14838	1.3
201.12775	1.7
203.14458	0.9
205.12257	3.4
207.13879	1.9
209.15416	0.7
213.16414	1.1
215.12723	1.1
215.17940	0.8
216.13089	0.8
219.13779	1.8
219.17493	0.9
223.13226	2.6
229.19492	4.2
233.19022	0.9
237.14841	1.4
239.17947	4.4
243.21301	0.9
247.20634	6.4
257.19040	9.6
259.20581	0.7
261.22171	0.9
267.16003	1.2
269.17380	1.0
273.18692	0.8
275.20071	70.3
276.20407	4.8
289.18118	1.2
289.21695	1.9
291.19553	1.5
293.21072	8.8
294.21558	0.8
307.22623	3.1
331.22617	2.2
335.25977	1.4
336.26065	1.8
349.23724	20.3
350.24051	1.8
367.24799	1.8
369.24429	1.2
381.26456	2.7
475.33911	0.8
476.34616	1.6
623.43115	8.1
624.43323	0.8
637.40637	1.0
641.44177	4.6
655.45868	4.0
673.46954	15.5
674.46021	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	674.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01859	1.7
55.05514	1.6
57.03446	3.3
61.02930	6.9
65.27428	0.6
65.67187	0.6
67.05502	2.2
68.62212	0.6
69.03438	11.5
69.07069	2.9
70.34063	1.6
71.04985	1.6
73.02917	3.5
76.27904	0.5
78.83466	0.6
79.05488	2.3
81.03423	4.7
81.07049	5.9
83.01330	0.7
83.08616	1.7
85.02911	65.0
86.03216	0.9
87.04467	0.8
91.03957	4.0
91.05486	2.4
93.07046	5.9
95.04950	0.8
95.08048	0.9
95.08607	9.8
97.02904	19.2
97.10089	0.6
99.04453	3.1
105.07037	17.4
107.08588	3.8
109.02895	5.2
109.10161	9.4
115.03923	0.9
115.17538	0.5
117.03388	0.6
117.07023	2.1
119.08588	4.2
121.06507	1.1
121.10130	2.0
123.11691	1.1
126.05553	0.6
127.03918	14.6
127.04792	1.1
129.07037	1.7
131.08591	4.0
133.10135	4.5
135.11702	2.3
137.05940	1.0
143.08591	8.3
145.04973	22.9
145.10141	6.0
146.05244	0.8
147.04358	0.8
147.11699	7.3
149.05959	0.9
149.13245	2.4
149.97606	0.5
157.10132	8.0
159.11702	10.1
161.13237	4.8
163.06035	8.9
167.10800	0.6
171.11711	3.7
173.13272	2.4
177.05486	1.2
177.09085	1.3
183.11717	0.9
185.13278	6.8
187.14844	1.0
191.10669	1.1
193.12257	1.8
197.13281	1.2
199.14835	12.1
200.15323	0.8
201.16275	0.8
205.12228	1.3
213.13173	0.7
213.16400	14.9
214.16750	0.8
217.12221	0.8
223.14632	0.7
225.16412	0.7
227.17979	1.2
231.13885	1.4
241.19528	94.6
242.19902	8.1
243.21181	1.2
259.17010	3.4
259.20667	3.0
269.19016	31.5
270.19379	2.8
287.20065	53.3
288.20441	3.6
315.19565	100.0
316.19855	6.7
318.48624	0.6
325.11331	1.4
329.01016	0.7
333.20612	21.8
334.20978	2.3
383.55923	0.6
403.24777	2.0
413.17377	0.6
431.24258	2.2
477.28699	1.1
495.26196	0.7
674.34436	9.0
675.33411	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	674.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.1
55.05514	11.7
57.03439	9.7
57.07055	1.3
59.04985	1.0
61.02920	5.1
62.18419	0.6
65.03931	1.3
67.05509	24.7
69.03420	1.7
69.07068	7.8
71.05000	3.3
73.02921	1.3
79.05496	22.8
80.05834	0.9
81.03420	12.9
81.07061	33.0
83.01350	4.2
83.04994	8.0
83.08624	11.3
85.02905	6.5
85.06539	2.0
91.03971	1.5
91.05483	14.5
93.07046	30.8
94.07391	1.2
95.04983	7.1
95.08604	10.9
96.05320	0.7
97.02886	3.9
97.06534	5.7
97.10171	2.2
99.04443	1.0
99.08108	1.1
105.04509	0.9
105.07047	9.2
107.04959	4.9
107.08595	15.8
109.06522	3.6
109.10160	1.8
111.04444	2.5
111.08078	3.5
112.55529	0.6
117.07029	7.0
119.08572	5.5
121.06525	2.5
121.10150	8.1
123.08064	5.3
123.11714	1.7
125.09621	1.3
128.28229	0.7
129.07028	1.6
131.08597	6.0
133.10126	6.9
135.08066	2.2
135.11699	9.8
137.09598	1.3
141.47601	0.7
143.08589	0.9
143.55257	0.6
145.06561	0.9
145.10132	9.0
147.08105	1.4
147.11714	1.9
148.35054	0.7
149.02414	0.7
149.09630	2.0
149.13248	7.3
151.11197	0.8
153.12727	1.2
157.10156	0.8
159.11722	4.6
162.88956	0.6
163.11194	13.0
173.09560	1.3
173.94054	0.6
177.12764	1.9
181.12248	1.7
191.10696	1.5
193.12282	2.3
195.13823	5.9
209.11803	3.4
211.13356	1.5
213.14772	1.2
227.12788	2.0
251.16435	1.0
259.13379	0.6
267.15906	8.9
269.17490	33.9
270.17813	1.8
283.15411	52.3
284.15799	2.9
285.16913	1.6
314.29697	0.7
367.22763	0.8
385.23715	1.3
432.43094	0.7
433.25516	0.8
459.27463	3.7
477.28485	100.0
478.28864	13.5
656.12244	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	674.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.4
60.08170	6.5
62.71515	0.3
67.05498	1.3
67.58690	0.3
68.05841	0.4
71.07376	4.1
79.05478	0.4
81.07064	1.0
81.75294	0.4
86.09710	32.9
87.10022	0.5
93.07041	0.4
95.08578	1.0
98.98465	4.4
104.10730	1.9
110.33371	0.4
118.57545	0.4
125.00010	22.8
127.05605	0.4
140.71243	0.4
149.05983	0.5
184.07353	100.0
185.07661	1.6
215.12952	0.3
398.76215	0.4
399.27826	0.3
432.85696	0.4
674.43958	3.1
675.43817	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	674.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79540	0.4
56.05052	0.4
60.08159	5.3
62.99092	0.4
67.05487	0.8
71.07369	3.1
71.91184	0.4
86.09701	29.2
87.10019	0.5
98.98438	3.1
104.10769	2.2
120.61835	0.4
124.99066	0.6
124.99999	19.5
184.07332	100.0
185.07671	2.1
355.58987	0.4
669.71802	0.4
674.44073	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	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01874	3.8
55.05511	11.8
56.05849	1.4
57.03442	3.7
57.07082	32.3
59.74728	0.9
65.03918	1.0
67.05513	14.9
68.05829	1.6
69.03431	1.7
69.07069	10.7
69.83717	3.4
71.05007	1.9
71.08638	23.5
73.06557	11.1
79.05496	16.3
79.05918	1.5
80.05840	1.0
81.03422	3.5
81.07069	21.1
82.07408	1.1
83.04994	3.2
83.08640	8.3
85.06553	1.3
85.10184	21.1
86.09669	0.9
87.04479	8.2
87.07045	0.9
89.06037	100.0
90.06365	1.8
90.18819	0.8
91.05485	10.4
93.07051	12.2
95.04968	9.2
95.08607	11.7
97.06544	3.6
97.10179	9.7
99.11726	4.2
105.07028	11.9
106.07394	1.2
107.04993	4.5
107.07084	3.4
107.08591	8.3
109.06524	3.9
109.10159	4.8
109.11598	0.8
111.04406	1.8
111.08105	1.4
113.13274	1.6
113.98544	0.9
117.07057	3.7
117.09131	6.6
119.08583	7.9
119.34515	0.9
121.06535	1.9
121.09394	1.0
121.10136	5.4
122.10473	1.1
123.08090	2.6
123.11711	2.5
125.09647	4.0
129.07034	1.9
130.08665	1.8
131.07080	1.9
131.08559	6.6
132.08885	1.1
133.08609	51.2
133.10071	6.1
134.08916	1.5
135.08058	2.5
135.10185	1.3
135.11734	3.1
143.08597	1.2
145.10164	5.3
146.34892	1.2
147.08051	1.2
147.11725	3.6
149.09631	4.4
149.13234	1.4
150.64458	1.1
151.11176	1.2
155.17975	5.3
157.10124	1.3
159.11728	3.4
161.09653	1.3
161.11728	1.4
163.11185	5.4
165.09073	1.4
171.11693	1.0
173.09615	1.4
173.13187	1.1
175.09657	2.2
175.11136	1.8
177.11230	18.9
177.12625	1.0
184.07397	3.7
189.11264	1.7
199.20589	4.6
217.14355	3.9
221.13873	2.8
223.13319	4.8
227.12662	1.7
243.23166	5.9
245.18977	1.2
253.14357	1.7
261.22134	1.1
263.20154	1.0
273.18524	4.3
275.20053	9.7
276.20453	3.9
283.17508	1.0
287.25821	3.8
291.19531	10.6
292.20010	1.1
293.21280	2.5
327.20007	1.1
335.25772	3.4
349.23642	2.3
365.23038	5.0
367.24765	1.5
379.07516	1.0
445.40756	1.2
445.78207	1.1
477.35672	4.0
609.70428	1.1
639.42108	2.6
657.44824	3.0
674.38934	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	675.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92181	10.7
69.10626	83.6
71.98754	11.5
72.47973	12.1
73.29967	12.0
85.07478	10.5
99.03812	12.0
121.06551	18.0
167.85071	11.3
174.89531	13.7
196.38513	12.5
209.78583	11.0
221.00859	16.7
224.30331	11.7
300.00708	12.0
505.03995	42.9
675.06091	100.0
679.00513	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	675.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90776	0.5
61.24186	0.4
69.02099	1.0
69.02499	4.6
69.03429	2.6
70.58049	0.6
73.02911	0.5
79.01859	3.4
81.03427	3.7
85.02908	5.0
91.05482	0.7
97.02894	2.8
107.01340	2.4
109.02888	4.5
115.05431	0.6
121.71701	0.4
125.02328	3.8
127.03913	7.2
128.06258	1.0
129.06944	2.4
131.08577	2.4
137.05951	2.6
141.06982	1.4
143.03412	4.4
143.08530	0.8
145.04982	0.6
151.03922	0.6
153.01826	100.0
153.02780	4.1
154.02164	3.0
157.06529	1.4
158.07321	0.6
159.08084	1.8
161.05971	0.6
163.07561	0.5
169.06464	0.8
171.02892	10.2
171.08061	0.9
174.06754	3.8
175.07518	1.5
181.04987	0.7
186.06786	1.3
189.09090	8.3
191.10695	1.2
201.09058	3.5
203.10658	2.7
208.59834	0.6
215.58844	0.5
219.10155	29.5
220.10464	1.2
221.01698	0.5
282.55737	0.5
297.06061	2.8
315.07123	10.9
316.07303	0.9
323.09189	1.2
331.06781	0.7
391.96695	0.6
449.11743	0.9
451.17386	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	675.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03942	0.8
53.51054	0.6
61.42458	0.6
65.03949	0.6
69.03429	3.3
69.25008	3.4
79.01853	3.6
81.03423	3.8
85.02911	4.9
91.05469	0.7
93.04207	0.6
94.06573	0.6
97.02908	2.4
99.04479	0.7
107.01339	1.7
109.02888	4.3
113.68521	0.6
115.05441	0.7
125.02328	3.4
127.03922	7.4
128.06239	0.8
129.07019	1.8
131.08569	1.8
137.05972	2.4
140.92413	0.6
141.07014	1.4
143.03421	4.4
143.08583	0.8
145.02878	0.8
145.04977	0.8
149.59837	0.6
150.30388	0.6
151.04039	0.6
151.07565	0.6
153.01839	100.0
153.02837	4.4
154.02203	3.1
157.06505	1.9
159.08075	1.8
160.05211	0.6
165.09120	1.1
171.02888	10.3
174.06755	4.0
175.07524	1.4
177.05495	1.1
186.06769	1.1
189.09126	7.6
201.09155	2.7
203.10744	3.3
219.10179	28.7
220.10597	1.3
265.08905	0.7
267.66196	0.7
289.69870	0.6
297.06143	2.9
309.11600	0.6
313.64511	0.7
315.07056	11.7
331.06448	0.6
351.63235	0.6
362.33652	0.7
425.10809	0.6
436.70053	0.6
537.67615	0.8
578.11353	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	675.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
67.05505	3.2
69.07087	0.8
73.02934	0.7
78.28836	0.5
79.05495	2.8
80.04978	0.7
81.03415	2.7
81.07075	2.3
83.08633	0.6
84.04519	1.5
84.57648	0.6
85.02946	0.9
91.05496	2.6
93.07067	3.1
93.69908	0.6
94.06601	1.1
94.39932	0.6
95.04964	1.8
95.07348	1.2
95.08649	1.4
96.08147	2.8
97.02898	0.9
97.06558	0.7
105.07050	2.0
107.04989	0.6
107.08604	0.8
108.08105	3.3
110.09713	3.5
119.08578	0.6
120.04485	1.1
120.08097	3.2
121.06534	1.0
121.10180	1.1
122.09700	0.7
124.07642	0.9
129.06877	0.7
130.05032	0.8
133.10149	0.9
136.06754	0.6
136.07582	3.6
138.09137	7.9
145.10164	0.7
146.06053	0.9
147.11707	0.9
148.07594	1.6
149.09596	0.6
152.07047	1.4
157.10226	0.7
162.05516	0.6
164.07082	0.9
166.08617	6.8
172.03996	3.3
175.11140	0.7
180.10233	1.0
182.11835	0.6
184.07362	1.0
190.05083	0.9
193.12373	0.6
194.08171	0.8
197.10895	0.8
204.06607	6.3
225.10176	3.0
227.11800	1.7
236.09395	1.1
237.10214	3.6
238.11024	1.2
239.08148	0.7
239.11899	2.3
241.09787	1.1
248.09610	0.6
249.10393	1.6
250.10986	1.2
251.08253	1.8
251.11824	2.6
252.12395	1.0
253.09686	2.7
254.10344	0.7
261.10339	0.9
262.11011	1.0
263.11902	2.3
265.09692	5.0
266.10434	1.3
267.11322	3.9
267.15775	1.0
269.12967	1.3
271.10938	2.4
278.10669	2.1
279.07822	2.1
279.11340	4.3
280.08624	0.6
280.11957	1.6
281.09421	1.1
281.12817	1.1
282.09894	0.8
283.10806	3.8
285.12524	1.0
287.13995	3.3
289.09857	2.1
291.11252	1.1
293.09244	1.6
293.12863	1.9
294.10001	2.4
295.10815	1.8
296.11627	1.9
297.12271	1.3
299.10361	1.3
299.13602	0.8
306.09921	0.8
307.10992	1.1
309.12344	1.6
311.10349	3.8
311.13788	1.3
312.11047	3.1
313.11923	1.2
314.12726	1.3
323.10403	1.4
323.13922	1.0
324.11264	1.3
325.11884	2.7
326.12729	2.5
327.13431	8.0
335.10260	3.3
337.11682	1.2
339.09381	1.4
339.13394	27.8
340.10349	1.2
340.13922	2.3
353.11304	1.4
354.12131	2.0
355.12906	7.0
356.13629	1.0
357.14548	2.0
367.12900	12.8
368.13171	1.0
371.12314	0.9
386.14731	1.7
399.15598	5.2
400.16745	0.7
416.15652	0.9
446.17157	0.7
458.16980	1.0
460.18750	1.1
460.27551	0.8
477.28067	0.8
478.28702	0.9
479.20758	2.4
488.18039	1.4
492.21420	2.3
514.30042	0.8
520.20685	8.0
521.20587	1.0
552.23425	100.0
553.23712	11.4
585.29022	1.2
605.13885	0.7
611.25269	4.5
657.30402	1.3
675.30627	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	675.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
67.05507	1.5
69.03439	2.0
79.05494	4.8
81.03420	2.5
81.07046	1.2
85.02889	1.1
90.47903	0.6
91.05482	4.5
93.07050	18.0
94.06575	1.7
95.04980	1.1
95.07368	0.9
95.08603	1.2
96.08158	2.4
96.47817	0.6
97.02912	1.3
98.92664	0.7
99.04455	0.7
103.05499	1.2
105.04546	0.7
105.07031	2.9
107.08624	2.5
108.08117	3.5
109.02905	1.5
109.10149	1.0
110.09680	5.3
111.08101	1.2
119.08612	2.8
120.04501	2.0
120.08131	3.6
121.06516	1.6
121.10143	18.2
122.06023	0.9
123.04449	0.7
123.08121	0.8
124.07576	1.0
127.03937	1.5
129.07037	0.9
131.08527	1.5
136.07568	4.5
136.71878	0.7
137.05986	2.2
138.09151	8.4
139.11142	0.9
148.07555	1.5
149.09616	6.6
150.09198	0.9
151.03908	1.2
152.07114	1.5
164.07106	0.8
166.08643	8.2
167.10704	2.8
172.03972	1.5
180.10521	0.6
189.09128	0.9
190.04980	1.4
191.80098	0.6
194.08157	1.1
204.06613	2.0
207.64037	0.8
211.08728	0.9
211.12392	0.7
212.09566	0.7
223.08849	0.8
225.10257	2.4
227.11848	2.2
233.10780	0.7
236.09189	0.9
237.10298	4.2
238.10841	1.3
238.90646	0.7
239.08102	1.2
239.11880	2.8
248.09370	0.9
249.10182	3.8
250.11041	1.4
251.08151	2.2
251.11850	4.2
252.08760	0.9
252.12611	0.9
253.09755	2.6
254.10274	0.8
255.11301	0.8
261.10281	2.1
262.11124	0.7
263.11868	2.7
265.09772	7.3
266.10452	1.5
267.11322	4.5
269.12869	1.3
271.10886	2.1
277.09775	2.4
278.06528	0.7
278.10452	3.6
279.07730	3.2
279.11316	6.3
280.12006	1.9
281.09320	1.9
281.12848	1.2
283.10828	4.2
285.12448	1.2
287.13974	1.5
289.09735	4.3
291.11407	2.3
293.09290	1.8
293.13055	4.1
294.09995	3.9
295.10760	2.8
296.11551	1.8
297.12320	2.1
299.10321	1.7
306.09955	1.3
307.10663	1.6
308.11490	1.0
309.12314	2.4
311.10294	4.2
311.14395	2.3
311.92239	0.7
312.11057	3.0
313.11630	1.7
314.12613	1.5
315.13397	0.9
317.06644	2.2
321.08932	0.8
323.10144	1.0
323.13766	1.6
324.11053	1.2
325.11856	2.3
326.12756	3.8
327.13400	7.3
335.10257	7.8
339.13419	43.4
340.10312	1.6
340.14090	3.3
352.10730	1.2
353.11139	1.0
354.12149	4.7
355.12936	13.3
356.13354	1.0
357.14359	0.8
367.12915	26.9
368.13260	2.8
398.14954	1.0
399.15826	1.7
413.17752	1.4
446.16992	1.1
447.18250	0.9
458.17133	2.0
460.18680	1.3
464.21802	1.0
479.20526	2.0
480.21643	1.6
488.18259	7.6
489.17950	1.5
492.21356	3.5
520.20819	100.0
521.21216	12.7
538.21906	2.5
552.23444	35.7
553.24054	4.9
585.29108	5.0
611.24890	5.3
612.25165	1.0
675.30487	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	675.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.14417	0.9
55.05528	1.3
61.02911	1.3
64.24909	1.0
67.05505	4.0
71.30064	1.4
79.05505	3.9
81.03425	3.1
81.07062	5.3
83.04998	1.7
83.08594	2.0
86.09732	2.7
91.03940	1.6
91.05490	3.2
93.07050	6.1
94.06570	4.6
95.05019	1.3
95.07359	4.0
95.08637	2.6
96.08131	6.3
97.06516	1.3
103.05441	1.0
106.24901	0.9
107.08602	2.1
108.08141	10.4
109.06520	1.2
110.09704	13.5
119.08612	1.3
120.04500	1.1
120.08120	11.7
121.06516	2.2
122.06025	2.6
124.07603	3.0
124.99997	1.5
127.85190	1.1
133.10059	1.2
136.07579	10.8
138.09151	17.1
148.07524	2.6
164.07082	1.4
166.08656	17.7
184.07378	6.1
192.05000	1.3
194.18279	1.1
204.06552	1.6
208.81813	1.0
221.10751	1.5
222.11481	2.0
223.12346	3.6
225.10193	1.5
235.08641	7.2
236.09415	2.5
237.10236	10.4
238.10974	8.4
239.11745	4.0
247.08762	4.4
248.09459	7.6
249.10234	16.3
250.11032	20.0
251.11784	17.2
252.12537	1.9
253.09647	2.1
253.13475	1.3
261.10245	6.6
262.10983	7.0
263.11798	33.8
264.09012	2.6
264.12408	4.8
265.09796	5.4
265.13254	5.4
266.10587	1.4
267.11307	3.2
268.11871	1.4
277.09677	7.5
278.10562	2.5
279.11295	33.9
280.11813	3.2
281.09879	1.0
281.12766	6.1
282.10065	6.3
282.12994	1.4
283.10959	2.6
283.14560	3.3
284.14752	1.2
289.09680	5.4
290.10666	2.1
291.11316	13.5
292.11896	3.2
293.09387	1.3
293.12845	3.1
294.09900	1.3
295.10788	5.2
295.14276	2.4
296.11508	1.8
297.12259	2.8
303.05075	1.9
305.09390	1.4
307.10764	16.0
308.11288	2.2
309.09042	1.9
309.12326	17.5
310.12827	1.8
311.13849	3.2
317.09293	2.2
319.10785	4.1
321.12299	2.3
323.10211	4.7
323.13992	6.2
325.12006	5.9
327.13596	1.5
328.14377	4.1
329.15143	1.5
335.10257	12.0
336.11014	6.0
337.11731	11.6
338.12430	1.5
341.15024	1.4
342.16000	3.6
351.13727	1.6
355.12961	18.0
356.13501	3.8
357.14536	10.9
358.14929	2.3
367.12878	26.5
368.13474	8.1
369.14505	8.6
370.15378	2.4
387.15601	2.9
389.17163	2.7
389.22858	1.2
399.15436	1.6
400.16522	1.2
402.17920	1.4
403.18988	6.8
414.18228	1.8
428.16388	1.3
430.17267	1.8
432.19205	2.4
442.18369	1.4
458.16989	1.9
460.18365	2.5
461.28943	7.6
470.17001	2.2
472.18600	1.5
478.19705	2.0
479.29352	1.8
488.18265	6.9
489.18906	2.7
490.19708	14.6
492.21124	2.4
502.19818	4.7
520.20819	100.0
521.21454	21.9
522.22357	49.4
522.28168	0.8
523.22559	4.4
552.23438	52.4
553.23737	6.2
611.24823	4.2
625.26514	1.5
643.27844	7.8
675.34637	17.8
676.34106	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	675.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10034	0.4
51.02366	0.6
52.32854	0.5
53.03947	3.8
55.01876	9.9
55.05515	26.2
57.03440	4.7
57.07080	1.3
59.04989	0.7
65.02010	0.4
65.03949	3.5
66.04721	0.5
67.05508	42.8
68.05846	1.2
69.03425	3.0
69.07073	19.5
71.05010	4.4
71.08633	0.4
75.35811	0.4
77.03926	0.6
79.05497	44.7
80.05834	1.0
81.03428	6.3
81.07061	100.0
82.07388	2.9
83.04987	13.6
83.08622	14.6
85.02901	3.0
85.06552	2.3
85.38777	0.5
87.53691	0.4
91.05482	31.2
92.05805	0.6
93.07047	31.7
94.07383	0.9
95.04975	17.0
95.08611	24.4
96.08934	0.7
97.02924	0.8
97.06532	9.4
97.10170	12.0
99.04494	2.5
99.08111	2.6
103.04832	0.4
103.05499	1.4
105.04532	1.7
105.07036	31.1
106.07406	0.7
107.04960	9.7
107.08601	22.1
108.08955	0.7
109.06524	15.2
109.10158	11.0
110.10517	0.4
111.04443	11.4
111.08086	7.4
113.06020	1.2
115.05488	1.8
116.65239	0.5
117.07033	9.8
119.08586	24.7
120.08906	1.0
121.06509	7.6
121.10149	15.4
121.11020	0.9
123.04504	0.5
123.08073	22.6
123.11716	5.5
125.06013	1.2
125.09638	12.9
128.06233	1.3
129.07014	5.3
130.07813	0.8
131.08575	12.3
132.05750	0.5
133.06538	1.7
133.10139	13.1
135.08052	6.7
135.11700	8.7
137.05969	0.6
137.09619	5.5
137.13263	0.5
139.07526	0.6
139.11211	1.0
141.06958	1.0
142.07751	0.7
143.08574	4.2
143.10658	0.8
145.06502	1.1
145.10124	13.2
146.10493	0.6
147.08038	5.7
147.11690	16.0
148.12032	0.7
149.09619	7.4
149.13254	5.5
150.09969	0.7
151.11195	1.8
153.09077	2.2
153.12746	5.4
155.08546	1.7
157.10141	4.6
159.08092	1.3
159.11693	6.7
161.09641	4.1
161.13249	3.2
163.11183	13.4
163.12479	0.9
163.14845	1.4
164.11546	1.1
164.46147	0.4
165.09117	3.8
165.12766	5.3
167.08591	0.5
167.14307	0.5
169.10168	1.9
171.08212	0.6
171.10165	1.1
171.11717	2.5
173.09586	2.4
173.11957	0.7
173.13203	2.6
175.11205	4.0
175.14862	1.0
177.09077	0.5
177.12749	3.0
179.10657	0.8
179.14304	0.8
181.10129	0.5
181.10571	0.7
181.12216	5.9
183.11723	1.2
185.13264	1.9
187.11227	1.0
187.14859	1.1
189.11243	12.3
189.12791	1.3
190.11681	0.6
191.10669	6.9
191.14276	1.1
193.12234	2.9
195.13847	1.4
197.13332	0.7
199.11247	0.5
199.14890	0.7
201.12848	0.9
205.12189	1.1
207.13889	0.8
209.11707	1.5
211.13249	0.6
213.16396	1.2
215.14464	0.7
215.17946	0.8
217.15927	0.6
219.13936	0.7
219.17438	0.5
223.13289	4.7
227.12778	10.5
227.17949	0.9
228.13284	0.8
229.14264	0.5
229.19562	2.0
231.17393	0.8
233.15486	0.6
237.14674	0.6
239.18045	1.2
245.13803	0.8
245.19092	1.5
247.20543	3.5
248.21104	0.7
249.14845	1.1
255.17474	3.3
257.19055	4.1
263.20102	1.1
267.15887	1.0
273.18500	17.2
273.21463	0.9
274.18857	1.5
275.20074	32.9
276.20398	2.9
283.15457	2.2
291.19540	43.3
292.19821	3.1
293.21130	6.5
294.21402	0.6
309.20541	3.1
310.21048	0.7
331.23013	0.5
347.22061	4.5
348.22409	0.7
349.23724	10.5
350.24008	1.4
365.23184	14.5
366.23657	1.5
367.24789	9.8
368.25204	1.0
383.24463	2.0
478.29266	0.5
515.33594	0.5
519.33240	1.4
583.40448	0.6
621.41364	1.1
639.42651	5.0
640.42657	0.6
657.43671	8.1
658.43707	1.9
675.44757	9.3
676.44843	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	675.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33319	0.7
53.03952	4.9
55.01873	19.4
55.05514	56.5
57.03432	7.3
57.07064	1.2
59.04998	2.2
65.03940	4.2
67.05506	57.3
68.05843	1.0
69.03433	5.5
69.07068	26.2
71.05000	6.8
77.03924	1.6
79.05495	68.2
80.05865	0.9
81.03419	15.0
81.07057	100.0
82.07407	2.5
83.04987	27.0
83.08618	33.2
85.02905	8.9
85.06541	2.7
87.19786	0.7
91.04894	1.5
91.05479	43.6
93.07046	50.7
94.04156	1.5
94.07342	1.7
95.04971	76.9
95.08609	32.4
96.05342	1.0
97.02889	0.9
97.06538	11.6
97.10172	25.2
98.23299	1.9
99.04453	12.6
99.08087	2.7
103.05466	2.6
105.04556	1.5
105.07033	37.4
106.07384	0.9
107.04960	14.1
107.08592	40.5
108.08913	1.5
109.06517	16.0
109.10157	18.9
111.04445	30.6
111.08080	13.4
115.05425	2.0
117.07014	15.7
119.04905	0.8
119.08584	37.3
120.08916	1.1
121.06519	12.1
121.10145	25.3
123.04473	1.3
123.08072	30.1
123.11706	2.5
124.08463	0.8
125.06000	2.0
125.08734	1.4
125.09633	24.5
128.06236	2.9
128.96785	0.8
129.05522	1.0
129.06996	8.0
130.07811	2.2
130.57849	0.7
131.08574	22.3
133.06480	3.9
133.10135	15.2
135.08057	9.9
135.11691	16.5
136.11942	1.3
137.05995	0.7
137.09637	7.5
139.11182	3.4
141.06944	1.9
142.07774	1.4
143.08563	7.1
143.10692	0.8
144.09375	0.9
145.06467	1.8
145.10133	27.0
146.10478	1.1
147.08049	13.0
147.11688	10.9
149.02332	1.9
149.09619	26.9
149.13240	1.6
150.09906	0.9
151.07512	1.3
151.11215	2.6
153.09129	5.1
153.12749	9.8
154.07800	1.0
155.08533	4.2
157.10144	6.2
158.57242	0.9
159.08116	1.7
159.11656	11.1
160.12009	1.2
161.09624	6.6
161.13281	3.4
163.11182	39.2
164.11581	1.6
165.09076	5.3
165.12756	3.8
169.10161	4.0
171.10326	1.7
171.11717	4.9
173.09605	4.0
173.11803	1.1
173.13292	2.5
175.11206	5.2
177.12703	4.2
179.10681	1.2
181.10600	1.2
181.12228	10.9
183.11710	1.9
185.13281	2.4
187.11195	4.9
187.13185	0.8
187.14850	1.3
189.11226	24.3
189.12744	2.0
191.10628	9.1
193.05022	2.9
193.12282	4.5
194.05281	1.4
195.11778	1.6
195.13947	0.9
197.13353	2.0
199.11209	1.4
201.12663	1.1
203.14468	1.2
205.12199	5.7
207.13837	2.0
209.11717	2.6
211.13290	2.7
223.13284	54.8
224.13631	1.4
227.12753	15.1
227.17880	1.8
229.19498	1.6
233.15324	1.3
237.14722	1.0
239.17934	3.1
245.19064	2.4
247.20500	1.9
249.14830	1.3
255.17464	3.5
257.19034	8.1
263.19901	1.6
273.18512	30.5
274.18814	1.9
275.20056	48.0
276.20389	3.3
283.15399	4.7
291.19540	64.8
292.19907	4.9
293.21094	30.3
294.21396	2.0
309.20554	3.8
347.22168	8.2
349.23669	8.8
350.24081	1.1
359.25577	1.0
365.23230	27.5
366.23682	2.3
367.24799	20.9
368.25049	2.1
407.24277	2.0
421.26431	1.0
429.11584	1.9
430.12140	3.9
455.31677	0.9
471.12408	0.9
484.50351	1.2
519.32910	1.2
565.38519	1.2
621.41278	2.2
639.42462	8.3
640.42694	1.7
657.43628	23.3
658.43640	3.1
675.36835	1.5
675.44983	12.5
676.44720	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	675.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
53.09895	0.9
55.01879	11.3
55.05513	27.8
57.03444	5.3
65.03941	3.1
65.28339	0.9
66.45528	1.1
67.05504	30.6
69.03439	3.5
69.07067	12.9
71.05006	4.9
71.29980	0.9
73.50182	0.9
76.01021	1.0
79.05495	48.1
80.05828	2.0
81.03420	6.8
81.07059	100.0
82.07397	3.3
83.04991	13.5
83.08623	17.0
85.02901	6.7
85.06555	1.5
91.05483	29.5
92.05812	1.4
93.07047	29.7
94.07364	1.5
95.04362	1.9
95.04971	34.9
95.08609	17.3
97.06514	7.5
97.10175	11.2
97.83090	1.2
98.23428	2.6
99.04464	4.9
99.08090	1.8
103.05496	1.9
105.04536	1.5
105.07034	24.6
107.04966	13.0
107.08599	19.1
108.08904	1.5
109.06525	42.0
109.10166	9.4
110.06867	1.7
110.10487	1.1
111.04465	15.6
111.08076	6.8
115.05423	1.4
117.07030	15.4
118.07250	1.3
119.04944	0.9
119.08588	29.2
121.06512	10.3
121.10146	14.2
123.08094	7.5
123.11744	1.8
125.05965	1.3
125.09632	8.4
128.06190	1.8
129.07024	7.7
130.07758	1.2
131.08566	16.8
131.09517	1.5
133.06505	2.4
133.10139	11.6
134.10474	1.1
135.08067	7.1
135.11703	7.9
137.09625	2.6
139.11203	1.0
143.08574	5.9
145.06502	2.6
145.10127	19.2
147.08049	13.7
147.11658	5.0
149.09630	18.2
149.13248	1.5
153.12758	3.0
155.08548	1.8
157.10086	5.8
159.08046	2.5
159.11678	6.0
161.09622	8.4
161.13234	1.7
163.11186	17.5
164.11571	1.4
165.09137	4.3
165.12770	1.4
167.08589	1.1
169.10120	1.3
171.11700	3.5
173.09677	2.4
173.13289	2.5
175.11243	2.4
177.12724	2.6
181.12257	4.4
183.10149	1.1
183.11671	1.4
185.13278	2.1
186.30994	1.0
187.11203	1.4
189.11246	6.8
189.12720	1.3
191.10638	2.9
199.41833	1.0
205.12381	2.1
223.13306	17.4
227.12778	3.2
227.17944	1.2
229.82817	1.3
239.17963	1.5
245.18942	1.8
246.70482	0.9
249.14868	4.4
255.17409	2.7
257.19012	3.6
273.18491	26.2
274.18802	3.2
275.20071	22.7
276.20404	1.8
291.19553	83.1
292.19812	7.6
293.21048	9.9
309.20609	1.6
329.45477	1.2
331.23175	1.0
347.22159	6.6
349.23776	10.7
365.23178	12.6
367.24826	12.1
475.30084	1.2
538.15375	1.1
615.91431	1.3
639.42560	7.1
640.42786	1.2
650.17206	1.1
657.43683	14.0
658.44189	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	675.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76548	0.6
53.03948	2.9
55.01881	6.5
55.05515	15.7
55.54908	0.5
57.03437	4.6
57.07074	1.0
59.95925	0.5
65.03940	2.8
66.04713	0.5
67.05510	27.6
68.05840	0.5
69.03438	2.0
69.07074	11.8
69.43075	2.9
71.05000	3.2
71.08636	0.8
77.03940	0.8
79.05498	42.4
80.05822	0.6
81.03430	4.6
81.07063	100.0
82.07396	2.5
83.04990	7.5
83.08145	0.9
83.08628	8.7
85.02920	3.0
85.06553	1.7
91.05488	24.1
92.05802	0.6
93.07051	22.1
94.07379	0.6
95.04973	12.6
95.05560	0.9
95.08607	14.6
97.06536	5.8
97.10188	5.7
98.23469	0.6
99.04442	2.0
99.08103	1.7
103.05486	0.8
105.03389	1.1
105.04548	1.4
105.07039	24.7
106.07369	1.1
107.04962	7.7
107.08601	13.4
109.06526	39.9
109.10159	7.3
110.06852	1.4
111.04447	6.0
111.08087	3.6
115.05465	1.7
117.07025	12.2
119.04936	1.3
119.08590	24.8
120.08912	0.8
121.06519	7.5
121.10151	10.7
123.08078	6.8
123.11698	4.1
124.08379	0.5
125.05980	0.7
125.09628	4.0
125.64757	0.5
127.07586	0.6
128.06253	1.7
129.07019	5.2
131.04988	0.6
131.08575	11.4
132.05676	0.6
133.06505	2.8
133.10149	10.4
134.10420	0.6
135.08084	5.0
135.11693	5.5
137.09602	2.9
139.11150	0.6
140.14066	0.5
140.86235	0.5
141.06963	0.8
142.07784	1.3
143.08575	4.8
145.06506	1.1
145.10136	12.4
146.10518	0.7
147.08067	8.0
147.11697	9.5
149.09624	6.9
149.13274	3.4
151.11214	1.5
153.12755	1.7
155.08568	2.2
157.06506	0.7
157.10117	5.3
157.50398	0.6
159.08080	2.2
159.11702	6.2
161.09627	6.4
161.13275	2.0
163.11186	8.5
163.14905	1.5
165.09143	2.4
165.12746	2.9
167.08632	0.6
169.10132	1.3
171.11728	3.5
173.09671	2.2
173.13293	2.8
175.11261	2.6
175.14854	0.8
177.12743	1.3
179.14333	0.9
181.10214	0.7
181.12273	2.5
183.10265	0.7
183.11732	1.4
185.13326	2.1
187.11237	1.2
187.14822	0.9
189.11249	2.7
189.12735	1.0
191.10707	2.1
191.14192	0.7
193.12317	1.6
195.11700	0.9
197.13394	1.1
201.12872	0.5
201.16512	0.7
203.14391	0.6
211.14851	1.0
213.16571	0.6
213.30130	0.5
223.13258	3.2
227.12874	2.2
227.18002	1.3
229.19649	1.2
231.13814	1.1
239.17969	0.7
241.19456	0.6
245.19025	1.2
247.20691	2.1
249.14835	2.8
255.17502	2.7
257.19098	2.7
267.15924	0.8
273.18512	19.3
274.18851	1.9
275.20093	20.8
276.20490	2.0
277.21710	0.6
283.15430	0.7
291.19559	65.0
292.19836	3.9
293.21100	3.0
347.22192	7.9
349.23801	9.7
350.24265	1.0
365.23242	12.3
366.23737	1.0
367.24802	11.0
368.25079	1.1
378.05798	0.6
513.35602	2.5
577.41589	0.7
621.41125	2.2
639.42407	6.4
640.41833	0.8
657.43628	8.7
658.43787	1.9
675.41321	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	676.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
51.53307	0.7
53.03955	4.3
55.05510	3.6
57.03438	3.9
58.83159	0.7
59.05004	0.8
59.42922	0.8
61.02933	0.8
65.43515	1.1
67.05492	2.9
67.61920	0.8
69.03441	9.1
69.07039	0.8
70.05898	0.8
71.29900	0.8
71.30361	1.0
73.02928	1.2
75.04484	6.5
79.05064	1.6
79.05499	19.9
81.03425	10.8
81.07060	7.5
83.04976	0.7
85.02905	5.1
87.04469	1.6
91.05484	19.8
91.79748	0.8
93.07049	100.0
94.07397	2.9
95.04994	4.1
95.08601	4.5
97.02889	7.7
97.06564	1.0
97.33156	0.8
99.04472	1.5
103.05479	2.8
105.04507	1.8
105.07034	9.2
107.04965	1.0
107.08599	15.9
109.02894	5.1
109.06537	1.5
109.10143	1.6
111.04409	1.8
111.08084	6.3
115.05475	0.9
117.06999	1.0
119.07907	1.0
119.08601	11.6
120.09015	1.0
121.06515	2.4
121.10150	97.1
122.03680	1.1
122.10480	4.0
123.08082	2.6
123.11723	2.2
125.06015	0.9
127.03911	5.8
128.06230	1.1
129.06989	4.5
131.04950	3.5
131.08585	7.4
133.10124	1.6
137.05991	17.0
139.11182	3.0
145.05038	1.7
145.06451	1.5
145.10165	1.3
147.04439	1.2
149.05968	0.9
149.09622	27.1
151.07527	1.5
157.05376	1.0
157.06474	4.9
157.10117	1.2
159.11772	1.3
161.05963	0.9
163.03825	1.3
163.07568	1.8
167.03441	1.8
167.10680	22.8
174.06723	1.5
175.07588	3.0
175.11165	1.3
177.05452	2.1
177.09094	1.2
178.19485	0.8
181.04866	0.8
187.07613	2.9
189.09117	18.8
191.10698	1.8
201.09145	1.9
203.10608	1.1
207.10149	5.1
211.11220	0.8
219.10095	1.2
239.11006	0.8
255.13994	1.1
267.11234	0.9
280.11804	1.3
293.13947	6.0
295.10599	1.3
311.14932	10.5
315.12878	0.8
329.16086	2.0
331.04468	2.0
339.13367	2.1
340.13660	3.1
355.12668	1.2
355.18704	1.2
356.13416	1.0
367.12808	2.4
368.13147	2.7
520.20728	2.8
521.21240	12.1
522.21442	1.4
553.23706	3.8
585.44659	0.9
586.29077	2.3
676.31006	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	676.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44765	0.2
54.70947	0.2
55.05513	0.4
56.05040	1.4
61.01150	1.0
67.05515	1.1
69.07060	0.5
70.06593	100.0
70.12375	0.6
71.06925	1.5
77.58332	0.2
79.05502	0.5
81.03430	0.4
81.07063	1.1
83.08627	0.2
85.02906	0.3
85.06492	0.2
86.09706	44.5
87.10040	0.9
91.05489	0.9
93.07050	0.8
95.04953	0.4
95.08616	0.5
98.06062	1.4
104.05325	3.0
105.07068	0.2
109.10180	0.2
114.09167	0.4
115.43444	0.2
120.08109	10.7
120.93138	0.2
121.06497	0.2
121.08436	0.4
121.10146	0.2
131.08620	0.2
146.06337	1.8
163.07512	0.5
174.05823	1.0
180.10197	12.1
181.10548	0.6
183.14932	29.6
184.07390	0.8
184.15236	1.2
193.12221	0.4
211.14423	30.6
212.14754	1.7
267.15891	0.5
269.17432	1.0
285.17023	0.4
287.14221	6.1
288.14703	0.3
293.18564	4.0
296.23334	0.4
310.18875	0.2
324.22760	1.0
356.20056	0.5
358.21283	0.5
384.19562	6.2
385.19720	0.4
390.23859	23.8
391.24213	2.3
461.29019	0.6
469.28815	0.3
479.30301	1.7
503.32327	2.4
504.32501	0.3
611.00385	0.2
677.30029	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	676.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01889	1.5
55.05512	14.7
57.03440	11.0
57.07084	1.6
61.02945	5.7
65.03937	2.3
67.05509	42.0
69.03443	3.9
69.07072	11.3
71.04993	3.4
73.02927	2.1
79.05496	30.9
79.63417	1.0
81.02935	1.0
81.03053	0.7
81.03423	40.4
81.07062	48.1
82.07388	1.8
83.04980	10.0
83.08624	20.3
85.02911	18.8
85.06537	2.2
91.03957	1.6
91.05489	28.6
93.07049	33.5
95.04977	16.6
95.08612	12.9
97.02913	3.8
97.06537	8.1
97.10200	2.7
98.22620	1.9
99.04488	1.0
105.04539	1.6
105.07040	14.6
107.04983	3.3
107.08602	17.1
107.42889	0.8
109.06564	3.0
109.10184	2.3
111.04426	1.8
111.08093	6.7
113.06041	1.4
117.07032	3.9
119.08578	12.7
121.06520	3.0
121.10151	10.2
123.08101	2.0
123.11722	4.0
125.09644	1.0
129.07033	5.4
131.08571	10.3
133.06615	1.3
133.10130	14.7
134.10487	1.1
135.08003	1.4
135.11719	4.3
141.39993	1.0
142.07819	1.5
145.10117	1.5
147.11703	9.6
149.09697	4.9
149.13269	9.2
151.11261	1.2
157.10144	10.1
159.11687	4.6
165.12787	3.5
175.11185	10.5
177.12784	3.3
188.42059	1.0
193.12242	25.8
194.12740	1.6
195.13849	7.9
211.13313	35.9
212.13754	1.5
213.14903	1.2
267.15918	17.0
268.16489	1.0
269.17477	41.3
270.17886	3.4
285.16983	39.4
286.17422	2.8
337.07886	1.0
443.27994	1.9
461.29010	24.5
462.29279	2.9
479.30075	100.0
480.30377	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	676.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01877	3.3
55.05513	17.7
57.03437	14.6
61.02929	3.9
61.13189	1.8
67.05508	47.0
69.03428	4.8
69.07068	15.3
71.04997	3.9
73.02914	1.9
74.18002	1.6
79.05495	40.5
81.03423	45.0
81.03864	3.1
81.07059	61.2
81.20074	1.5
82.03741	1.7
83.04987	14.3
83.08621	25.3
84.41629	1.4
85.02897	18.6
85.06572	2.8
86.87901	1.4
91.05491	32.8
93.07047	44.8
95.04978	21.9
95.08605	18.3
97.02923	5.1
97.06538	11.3
97.10191	4.6
99.04484	1.9
99.08105	2.9
101.95864	1.9
105.04518	1.7
105.07040	19.2
107.04984	6.6
107.08598	25.4
109.06530	5.9
109.10196	1.6
110.64053	1.6
111.04458	1.9
111.08085	10.3
111.11806	1.6
113.06003	1.8
117.07038	6.0
119.08584	15.7
121.06512	2.5
121.10158	18.6
123.08029	2.2
125.09661	2.2
129.07016	8.1
131.08560	14.7
133.06458	1.7
133.10138	12.3
135.08044	2.1
135.11699	6.3
142.07768	2.2
145.10126	1.6
147.08102	2.9
147.11664	9.5
149.09610	4.2
149.13252	18.5
157.10118	13.2
159.11742	7.2
175.11217	13.3
177.12741	3.7
183.90089	1.4
184.07397	7.2
193.12238	29.3
194.12563	2.4
195.13866	8.3
211.13301	44.4
267.15948	29.8
269.17480	64.5
270.17871	4.3
285.17001	39.1
461.28964	46.0
462.29391	7.3
479.30057	100.0
480.30286	12.3
677.29303	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	676.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.6
56.49182	0.4
57.43595	0.4
58.06606	0.7
60.08168	5.8
66.95128	0.4
67.05514	1.1
71.07374	3.9
86.09712	30.5
98.22466	1.0
98.98475	3.2
104.10760	1.7
124.99093	0.8
125.00014	22.3
184.07356	100.0
185.07664	2.1
274.15994	0.4
493.38174	0.6
676.45276	3.3
677.29419	0.7
678.83087	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	676.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01863	9.0
55.05512	24.2
57.03441	6.7
57.07061	2.3
60.08143	4.1
65.03931	4.6
67.05508	37.3
69.07072	24.8
71.04986	4.9
79.05499	47.1
81.03409	10.5
81.07060	100.0
83.04980	6.1
83.08620	15.1
85.06519	3.1
86.09705	24.4
91.05480	34.3
93.07049	33.9
95.01316	4.2
95.04963	12.8
95.08614	28.4
97.06541	15.0
97.10146	3.9
98.23470	4.0
98.98457	6.1
105.07036	45.0
107.04979	12.6
107.08581	20.5
107.10339	2.1
109.06513	26.1
109.10134	10.5
111.08060	4.6
117.07013	9.8
119.08582	32.6
121.06495	4.7
121.10133	13.9
123.08036	5.7
123.11724	5.9
125.00016	18.7
129.06992	5.9
131.08572	19.7
133.10133	26.7
135.08052	5.0
135.11684	8.1
141.07010	2.4
143.08592	6.0
145.06560	2.5
145.10147	10.9
147.08073	2.3
147.11700	17.3
149.09654	7.5
149.13264	6.0
157.10112	5.7
159.11722	9.7
161.13222	5.0
163.11172	5.1
165.12784	4.3
171.11664	5.4
173.13310	5.1
175.11191	2.3
179.14337	6.2
183.11697	2.6
184.07344	77.6
187.11240	2.5
197.13225	2.7
219.17514	2.7
229.19537	3.4
233.26845	2.2
247.20618	3.8
257.18973	4.6
275.20050	75.1
276.20255	4.5
293.21054	10.0
349.23737	40.8
367.24777	21.8
387.85532	2.1
459.30618	2.3
504.37390	10.1
505.38684	3.0
531.37921	2.4
612.31470	2.5
623.42877	28.6
624.42957	5.3
641.44135	39.8
642.43903	3.9
659.40778	4.6
676.44995	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	677.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	0.8
55.05518	2.0
57.03444	1.7
57.07079	0.2
61.02929	4.5
67.05505	5.2
69.03428	2.5
69.07059	1.6
71.01363	0.5
71.04998	0.5
73.02915	2.9
75.04531	0.2
79.05493	4.9
81.03415	1.8
81.06584	0.4
81.07058	6.7
82.07400	0.2
83.04978	1.1
83.08639	1.4
85.02905	3.6
85.06525	0.4
87.04484	0.4
88.92197	0.3
91.03952	2.3
91.05484	4.2
93.07044	5.0
95.04959	1.5
95.08597	2.6
97.02894	3.6
97.06542	0.8
97.10174	0.5
98.22562	0.5
99.04482	0.7
101.02375	1.6
105.07024	3.0
107.04960	0.5
107.08605	2.5
109.02932	0.5
109.06545	0.7
109.10155	0.7
111.08099	0.4
115.03971	0.4
117.07030	0.9
119.08569	1.9
121.06503	0.6
121.10150	1.2
123.08095	0.6
123.11723	0.3
125.09664	0.4
127.03922	1.2
128.21977	0.2
129.07021	0.8
131.08597	0.8
132.09024	0.2
133.10117	1.7
135.11731	0.9
137.09584	0.3
143.08601	0.8
145.04964	0.3
145.10161	0.6
147.08035	0.3
147.11710	1.3
149.09573	0.3
149.13284	1.2
159.11731	0.8
161.09668	0.4
161.13257	0.5
163.11197	0.4
171.11722	0.9
177.12784	0.3
178.76485	0.2
184.07361	0.4
185.04166	0.4
189.12740	0.3
192.11093	0.2
195.13849	0.8
207.13821	0.4
216.63586	0.2
235.13141	0.7
243.08397	2.1
247.13087	1.0
269.17426	1.0
275.20178	0.6
281.17603	0.3
291.19638	0.2
303.15637	0.5
381.44012	0.3
448.27878	0.3
453.20923	7.7
453.27039	0.4
454.21094	0.5
463.30698	1.0
465.20929	6.8
466.21335	0.9
515.29816	0.3
677.35028	100.0
678.35345	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	677.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19211	0.5
53.03955	0.7
55.01850	0.4
55.05524	2.1
57.03444	1.1
58.27846	0.4
60.59606	0.4
61.02930	3.4
67.05502	6.2
69.03436	2.7
69.07074	1.3
69.64680	0.9
69.65085	1.8
71.01353	0.6
71.04984	0.7
73.02576	0.5
73.02913	2.9
79.05496	5.6
79.12717	0.4
81.03426	2.1
81.07061	7.8
83.04990	0.9
83.08622	1.0
85.02908	3.1
91.03965	2.5
91.05477	4.2
93.07041	7.4
95.04973	1.2
95.08607	4.5
97.02901	3.6
97.06547	0.9
97.10188	0.8
101.02370	1.1
105.07048	2.3
107.04929	0.6
107.08594	3.2
108.63642	0.4
109.06550	0.8
109.10147	1.3
111.04459	1.0
111.08105	0.5
117.07054	1.2
119.08580	2.2
121.10164	2.6
123.11723	0.7
127.03961	1.4
129.07045	0.9
131.08578	1.5
133.10149	1.4
135.11740	1.2
143.08597	0.8
145.05032	0.5
145.10178	0.7
147.11693	1.1
149.13287	2.0
159.11696	0.8
161.13214	0.8
171.11755	0.8
173.13335	0.7
185.04323	0.6
203.05362	0.5
235.13132	1.2
243.08478	1.6
243.21233	0.9
246.93944	0.5
247.13132	1.4
261.22235	2.0
335.25934	0.8
353.26862	0.7
401.47980	0.5
453.20938	8.3
454.21326	0.9
457.14865	0.5
465.20984	5.5
466.21402	0.7
507.83298	0.5
670.98950	0.5
677.35046	100.0
678.35400	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	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17031	0.4
69.51314	1.0
69.51718	1.5
70.06601	0.7
81.07046	0.5
85.51331	0.4
88.07650	1.2
88.34580	0.4
102.09184	0.6
102.24169	0.4
149.02380	1.2
185.04317	0.7
193.05005	1.5
256.26385	2.9
259.07791	0.6
346.51221	0.5
347.09833	1.0
417.16837	0.4
419.30084	0.4
502.45987	0.5
515.31964	19.2
516.32190	2.0
605.64502	0.5
614.69336	0.5
677.37152	100.0
677.53375	3.8
678.37476	14.7
678.49609	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	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01870	0.7
55.05514	2.2
57.03446	0.3
57.07076	0.7
65.03945	0.3
67.05508	3.5
69.03419	0.5
69.07062	1.6
70.06615	0.7
70.42715	0.7
71.08619	0.4
77.03793	0.3
79.05503	3.1
81.03409	0.7
81.07051	4.6
82.07388	0.3
83.04974	0.7
83.08642	1.6
85.02922	0.4
85.06548	0.5
86.09736	0.3
87.95006	0.3
88.07629	1.0
91.05476	3.1
93.07035	2.4
95.04970	2.4
95.08609	2.3
97.06533	0.8
97.10178	0.7
99.04491	0.3
100.04970	0.3
102.09207	0.9
103.05445	0.3
105.07054	2.1
107.04963	0.8
107.08578	2.1
108.51635	0.3
109.06535	1.2
109.10184	1.0
111.04414	0.4
111.08082	0.4
117.07041	1.0
119.08575	2.4
121.06528	0.7
121.10188	1.5
123.08092	0.4
123.11720	0.3
125.09663	0.6
129.07063	0.4
131.08586	1.4
133.10127	1.8
135.08066	0.6
135.11624	0.6
137.09631	0.4
143.08568	0.7
145.10159	1.2
147.08073	0.7
147.11707	1.2
149.02354	1.3
149.09639	0.8
157.10092	0.5
159.11708	0.4
161.09627	0.4
161.13298	0.4
163.11230	0.8
173.13326	0.5
177.12918	0.4
181.12300	0.5
184.07378	0.5
185.04265	0.9
189.11293	0.5
193.04950	1.8
203.05327	1.4
223.13214	0.7
256.26373	2.9
257.18988	0.5
259.07919	1.2
267.16113	0.7
275.20062	3.2
276.20468	0.4
291.19635	0.7
293.21176	1.0
318.53845	0.3
347.09525	1.3
349.23782	1.5
365.10638	3.1
367.25003	1.2
421.13153	1.1
515.31860	19.0
516.32574	2.2
566.36414	0.3
641.43579	0.6
659.44385	0.7
677.37140	100.0
677.55365	3.0
678.37415	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.05521	11.5
56.06564	1.7
57.03440	6.6
57.07082	3.1
61.02930	18.8
62.34490	1.3
65.03941	3.0
67.05505	71.3
68.05843	1.7
69.03439	5.0
69.07068	10.5
71.05009	2.3
73.02936	8.0
74.71643	1.4
79.05491	46.6
80.03951	1.5
80.05827	1.6
81.03427	3.8
81.07057	79.7
82.07407	1.8
83.04977	1.8
83.08621	9.8
85.02908	18.1
85.06512	2.3
87.04453	1.3
91.03951	14.9
91.05479	22.4
91.06012	2.0
93.07044	51.2
94.07413	2.9
95.04989	4.6
95.08607	54.0
97.02895	10.4
97.06532	5.4
97.10189	4.2
99.08118	2.5
101.02415	2.5
103.03952	2.3
105.07021	15.3
107.08596	33.8
109.02885	2.0
109.06537	1.9
109.10154	29.0
113.09667	1.8
115.03908	1.8
117.06996	7.0
119.08573	14.2
121.10138	29.8
122.10462	1.6
123.11716	13.2
127.03955	5.3
129.07047	1.5
131.08563	16.4
133.10118	12.7
135.11696	25.3
136.12082	1.7
137.09657	1.6
137.13243	5.2
145.05003	6.6
145.10126	12.5
147.11699	13.1
149.02371	2.4
149.13264	16.9
151.11198	1.8
151.14842	2.8
153.12827	2.0
159.11696	12.4
161.13272	9.3
163.06085	5.4
163.14792	12.3
171.11736	1.8
173.13261	13.8
175.14842	2.0
177.16435	6.5
179.14297	1.9
187.14832	8.2
201.14552	1.6
201.16435	3.8
205.15784	1.6
233.22737	3.1
243.08568	1.6
243.21071	21.7
244.21436	2.1
256.26410	1.6
261.22147	74.3
262.22372	3.4
279.23309	3.9
335.25797	23.0
352.24261	1.8
353.26871	22.7
354.27350	1.8
453.21030	7.8
465.21060	5.6
475.97244	1.7
497.31342	5.3
536.41797	1.5
585.33905	1.6
589.37299	1.5
677.35046	100.0
678.35565	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	677.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05509	10.0
57.03424	5.4
57.07079	32.8
61.29074	2.7
64.22747	3.0
67.05502	27.1
69.07071	6.8
71.08630	21.3
72.04892	2.6
72.85210	2.6
79.05487	12.3
81.03424	51.0
81.07055	24.1
82.03770	3.2
83.04983	3.8
83.08620	18.9
85.10168	10.6
91.05479	16.0
93.07029	11.1
95.04966	15.3
95.08598	19.1
97.02889	3.2
97.06546	2.9
97.10148	5.3
98.98463	27.0
105.07033	9.7
107.04961	3.3
107.08565	6.7
109.06503	4.0
109.10143	8.3
111.08077	5.6
119.08591	7.8
121.06511	5.0
121.10143	4.3
123.08038	2.8
129.06985	7.1
131.08543	8.0
133.10147	3.9
145.10167	3.7
147.11670	7.4
149.09627	5.2
157.10072	6.3
165.12769	3.2
175.11232	5.1
184.07356	9.2
193.12250	18.5
239.23753	3.6
249.14986	3.3
267.15839	17.9
313.27435	12.9
505.38864	100.0
506.39365	16.6
529.37207	7.3
577.29297	3.8
655.52521	3.1
677.44348	4.2
679.85046	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	677.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.2
53.03949	3.7
55.01875	10.2
55.05514	41.2
57.03440	7.5
57.07067	1.8
59.05000	0.7
65.03935	4.0
67.05508	54.2
68.05854	1.3
69.03427	2.8
69.06688	1.0
69.07070	27.4
71.04992	7.1
79.05495	50.4
80.05839	1.7
81.03419	8.1
81.07059	95.7
82.07390	2.9
83.04988	14.6
83.08624	32.0
85.02911	3.7
85.06539	2.4
91.05482	43.2
92.05814	1.0
93.07046	46.9
94.07397	1.5
95.04971	69.3
95.08607	35.1
96.05305	1.8
96.08948	1.3
97.06535	10.7
97.10172	14.5
99.04457	5.5
99.08118	3.0
103.05483	1.7
105.04534	1.5
105.07032	43.0
106.07384	1.5
107.04959	16.3
107.05619	1.5
107.08595	36.9
108.08934	1.2
109.06524	22.0
109.07260	1.7
109.10163	14.7
110.06854	1.3
111.04452	12.0
111.08089	8.5
115.05520	1.2
116.06259	1.1
117.07016	14.1
119.08585	33.8
120.08931	1.7
121.06509	9.7
121.10151	22.7
123.04426	1.2
123.06613	0.8
123.08067	10.6
123.11708	7.4
123.59010	0.9
125.06030	1.6
125.09625	14.3
127.07564	1.1
128.06221	1.2
129.07002	6.8
130.07808	0.8
131.08563	22.6
132.08900	1.2
133.06491	2.9
133.10138	24.3
134.10481	1.6
135.08058	6.4
135.11699	10.4
137.09631	5.5
137.13295	1.3
139.07596	1.2
139.11212	1.8
141.06992	1.1
143.08583	5.1
143.10612	1.0
145.10129	21.2
146.10490	1.3
147.08055	5.3
147.11694	19.6
148.12022	1.0
149.02383	1.2
149.09618	28.3
149.13261	6.3
150.09950	1.5
151.07515	1.0
151.11162	2.7
153.09103	1.7
153.12770	2.3
155.08588	1.7
157.10109	5.3
159.11687	12.2
161.09642	3.0
161.13220	4.5
163.11188	25.9
163.14914	1.8
164.11548	1.2
165.09129	1.6
165.12764	7.4
167.10652	1.6
169.10158	3.3
171.10371	0.8
171.11732	3.0
173.09630	1.9
173.11826	1.5
173.13229	6.0
175.11125	4.7
175.14798	1.5
177.12775	4.2
179.14410	2.0
181.12202	2.1
183.11725	3.3
183.13771	1.0
185.13268	1.4
187.11197	3.5
187.14748	1.9
189.11243	14.2
189.12762	1.4
191.10701	2.3
191.14296	1.3
192.14691	0.9
193.04967	2.8
193.12187	4.2
197.13362	3.0
199.14697	1.0
199.38638	0.9
201.12769	1.4
205.12283	4.9
207.13882	1.7
211.13249	1.1
219.13818	1.3
223.13301	44.2
224.13730	2.9
227.12753	1.3
229.19476	4.9
233.19086	1.3
239.18028	4.8
247.20546	3.9
256.26443	4.3
257.19037	10.4
258.19479	1.2
267.15872	1.6
273.18625	1.5
275.20071	100.0
276.20401	8.5
279.16043	1.2
291.19528	1.2
293.21106	50.9
294.21478	2.5
311.22269	1.2
331.22589	2.1
349.23712	29.2
350.24106	3.7
367.24796	64.0
368.25119	7.1
549.39282	1.2
609.26733	1.0
623.43036	5.5
624.43536	1.4
641.44202	12.4
642.44073	2.4
659.45166	12.4
660.45038	2.1
677.40167	2.5
677.54803	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	677.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01875	10.4
55.05514	44.6
57.03444	6.5
57.07074	1.8
59.04999	0.7
65.03940	2.6
67.05506	39.7
69.03429	3.7
69.07070	20.3
69.67822	1.9
70.06586	1.5
71.04993	6.3
71.08630	0.6
73.06541	0.7
77.03939	1.2
79.05492	42.7
80.05840	1.2
81.03419	7.9
81.07056	38.7
82.07398	0.9
83.04486	1.0
83.04983	16.6
83.08619	32.4
84.08916	0.8
85.02901	4.9
85.06551	2.8
88.07633	2.0
91.05479	30.1
92.05787	0.6
93.07047	39.3
94.07362	0.9
95.01463	0.6
95.04971	100.0
95.08607	21.0
96.05301	2.0
97.02858	0.9
97.06532	7.1
97.10169	17.5
99.04452	10.0
99.08102	1.6
102.09220	1.0
103.05469	1.7
105.04530	1.3
105.07034	27.9
106.07365	0.9
107.04960	13.0
107.08593	38.2
108.08936	0.8
109.06516	9.5
109.10159	11.8
111.04441	20.6
111.08089	7.0
112.04751	0.6
113.05992	0.8
115.05494	1.3
116.06254	0.6
117.07027	11.0
119.08582	21.7
120.08906	0.9
120.35956	0.7
121.06509	8.4
121.10145	21.1
122.10547	1.1
123.04377	0.8
123.08088	7.6
123.11707	2.7
125.05990	1.9
125.09634	16.6
126.09927	0.8
128.06195	1.3
129.07040	3.9
130.07756	1.7
131.08574	18.6
132.08896	1.2
133.06496	1.3
133.10135	16.7
135.08054	6.6
135.11688	10.6
137.05975	1.1
137.09628	2.5
139.11201	2.8
141.06956	1.1
141.09146	0.8
142.07845	0.8
143.08557	3.3
143.10654	0.9
144.09341	0.7
145.06499	0.8
145.10124	25.1
145.11269	1.3
147.08051	5.4
147.11687	10.0
149.02345	2.1
149.09621	37.6
149.13286	1.6
150.09970	1.0
151.11166	2.6
153.09103	2.4
153.12755	3.0
154.07782	0.8
155.08577	1.5
157.10184	4.3
159.11699	9.0
161.09610	3.1
161.13298	2.5
163.11176	31.9
164.11502	2.2
165.09119	0.7
165.12726	3.4
167.10667	0.8
169.10141	2.6
171.10173	2.2
171.11716	2.8
173.09644	1.7
173.11873	1.5
173.13310	3.5
173.31175	0.7
175.11189	2.5
177.12729	4.6
181.12224	3.3
183.11719	1.5
183.13802	0.9
185.13333	1.4
187.11206	4.7
187.14790	1.2
189.11220	18.8
189.12733	1.2
190.11517	1.1
191.10713	2.0
191.14265	1.1
193.04968	2.2
193.12251	2.8
197.13319	2.4
201.12875	1.3
205.12251	6.3
207.13840	1.7
209.11812	0.7
211.13297	2.0
214.59615	0.7
215.17934	0.9
215.52536	0.6
219.13809	0.8
223.13287	73.4
224.13615	3.2
227.12813	2.8
229.19505	3.6
239.17975	3.3
245.46364	0.6
247.20584	2.7
256.26306	5.9
257.19009	10.8
267.15948	0.7
275.20065	76.4
276.20398	6.1
291.19376	0.9
293.21109	64.1
294.21460	4.0
311.22275	1.7
331.22632	1.9
349.17160	1.0
349.23715	21.6
350.24017	2.4
367.24789	64.2
368.25101	5.4
376.60486	0.7
623.42938	2.1
641.44031	8.4
642.44238	2.6
659.45087	22.9
659.56268	1.2
660.45178	2.1
677.45044	1.2
677.54651	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.4
56.05037	20.1
57.05393	0.5
58.15924	0.4
60.08154	0.7
60.19251	0.4
61.01161	1.0
62.72857	0.4
67.05499	0.9
69.07072	0.6
69.50648	2.0
70.06593	100.0
71.06935	1.3
73.56094	0.4
74.06067	0.5
77.49548	0.4
79.05495	0.9
81.03418	0.7
81.07047	0.9
82.59386	0.4
86.09708	27.1
87.10040	0.4
88.33238	0.4
91.05492	0.8
93.07068	0.6
95.04964	0.8
95.08579	0.5
98.06055	29.3
99.06374	0.7
100.03985	0.9
100.11278	0.5
105.07034	0.6
107.04955	0.6
119.08680	0.5
120.08112	2.7
125.00000	2.2
126.05554	0.4
128.47403	0.4
131.08585	0.5
139.03867	0.6
147.11757	0.4
148.04301	1.9
149.02699	0.9
162.05870	3.4
166.08670	2.2
167.08635	0.4
183.08035	0.4
183.14934	32.8
184.07341	10.2
184.08914	0.5
184.15326	1.4
190.05333	34.4
191.05597	0.8
211.14418	30.5
212.14601	0.8
216.83286	0.5
221.12968	0.5
229.15631	0.5
239.13885	0.4
239.46664	0.5
275.14313	1.6
278.07669	0.5
279.17038	5.0
285.12607	0.8
296.23419	1.5
300.14508	0.5
303.13721	9.5
304.14001	0.4
324.22784	3.7
358.21295	1.0
361.49463	0.4
376.22318	36.7
377.22607	2.7
400.19031	4.6
401.19162	0.5
489.30716	9.4
490.31192	0.7
513.27344	0.8
678.34656	1.3
679.33716	1.1
679.51019	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	678.398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
56.05027	0.8
57.03447	0.3
58.06600	0.6
60.08168	6.2
63.68931	0.3
67.05492	1.0
67.62294	0.3
68.99122	2.3
71.07373	4.0
79.05479	0.9
81.03412	0.5
81.07043	1.1
85.02912	0.3
86.09709	30.6
87.10023	0.5
91.05459	0.6
92.07559	0.2
93.07031	0.8
95.08578	0.4
98.23451	0.5
98.98464	3.7
104.10742	2.5
105.07007	0.4
107.08627	0.5
109.10154	0.4
117.07014	0.3
125.00009	22.1
135.11679	0.4
143.01044	0.3
144.22388	0.2
184.07346	100.0
185.07703	1.8
236.97557	0.3
267.42337	0.3
449.28827	0.5
463.30371	0.3
481.31302	0.6
501.89801	0.3
541.65472	0.2
646.37469	0.5
678.39966	5.2
679.31567	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	678.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91866	0.7
53.03946	3.2
55.01871	1.4
55.05517	11.5
57.03443	9.4
57.07079	0.9
58.02225	0.7
59.04986	1.8
60.88827	0.7
61.02928	3.6
65.03943	1.7
67.05508	65.1
69.03424	2.2
69.06729	1.1
69.07071	12.9
69.78238	2.5
71.01354	2.1
71.04994	17.5
71.08629	0.8
73.02920	1.1
73.26456	0.6
79.05497	29.3
80.05839	1.0
81.03419	3.9
81.07060	56.0
82.07384	1.3
83.04980	7.8
83.08627	8.8
85.02917	3.2
85.06548	5.8
86.09702	1.3
91.03944	1.6
91.04905	1.0
91.05484	20.6
93.07047	39.9
94.07365	0.8
95.04944	4.3
95.08617	10.8
97.02905	2.0
97.06526	8.3
97.10159	3.8
98.23289	1.2
99.04452	1.5
99.08108	2.4
105.04520	0.8
105.07040	7.8
107.08598	28.4
108.08903	1.1
109.06522	1.8
109.10158	22.5
109.10910	1.1
111.08086	4.4
117.07031	6.1
119.08585	7.0
121.06523	1.3
121.10143	9.4
123.11710	6.7
124.99934	0.7
125.09657	0.9
129.07117	1.0
131.08557	4.4
132.96283	0.7
133.10136	7.9
135.11705	21.7
136.12004	0.9
137.09647	3.9
145.10127	5.2
147.11708	1.2
149.09756	0.8
149.13258	10.2
151.11165	4.0
153.12662	0.8
155.10641	0.9
157.10127	1.1
159.11658	4.3
163.11189	4.3
169.12180	1.1
173.11771	2.4
177.12804	2.1
181.12209	3.3
184.07333	5.3
187.13312	2.0
191.14519	0.9
195.13857	4.5
213.14799	0.7
255.15944	9.4
256.16330	0.8
269.17480	12.8
270.17868	0.8
287.18692	4.1
301.20126	3.1
423.27438	53.2
424.27744	5.1
437.28998	9.2
438.29440	1.3
449.28992	100.0
450.29218	11.0
463.30435	4.2
481.31622	40.8
482.32166	3.9
678.35431	2.0
679.32892	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05515	0.9
56.05040	0.9
57.07084	0.3
58.06372	0.2
58.06621	0.4
59.07421	0.2
60.08167	6.4
67.05511	1.7
68.64528	0.2
69.07058	0.8
69.79046	0.7
70.06591	0.2
71.04963	0.2
71.07372	4.0
71.08636	0.5
73.63052	0.2
74.25984	0.2
79.05497	1.5
81.07056	2.3
83.04974	0.3
83.08618	0.7
85.06525	0.2
85.10193	0.2
86.09709	32.9
87.09513	0.2
87.10052	0.6
88.74928	0.2
91.05472	1.0
93.07056	1.2
95.04981	0.3
95.08614	1.4
97.06538	0.3
97.10161	0.2
98.98465	4.1
104.10744	2.2
105.07045	1.3
107.04958	0.2
107.08595	0.5
109.06534	0.3
109.10184	0.5
110.52900	0.2
117.07001	0.3
119.08587	0.6
121.10132	0.6
123.11722	0.3
125.00009	23.3
125.78674	0.2
126.00341	0.2
129.06981	0.3
131.08591	0.4
133.10144	0.5
135.11678	0.3
140.14529	0.1
145.10118	0.5
147.11723	0.3
155.08597	0.2
157.09990	0.2
159.11679	0.3
167.60971	0.2
171.11714	0.2
173.13261	0.2
179.14285	0.3
184.07349	100.0
185.07710	1.7
197.87006	0.2
275.20114	0.6
277.21655	0.4
288.94153	0.2
299.39740	0.2
314.34033	0.2
349.23764	0.2
351.25357	0.5
367.24786	0.4
413.20926	0.2
476.99820	0.2
478.00479	0.2
561.68896	0.2
625.45099	0.2
643.44855	0.2
678.47119	4.1
679.47028	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	679.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.03453	1.6
61.02930	4.0
66.25684	0.9
67.05508	4.7
69.03446	2.0
69.07043	1.5
69.15900	2.2
69.16319	4.5
73.02921	3.7
77.49942	0.9
79.05505	2.3
81.03413	2.6
81.07060	3.4
83.04994	1.0
83.08628	0.9
85.02925	4.3
86.09711	3.7
91.03981	3.1
91.05490	2.0
93.07063	2.9
97.02902	4.1
100.11290	1.0
101.02396	1.2
105.07014	1.5
107.08513	1.1
109.02934	1.2
124.99992	2.0
133.10135	1.2
159.11734	1.1
163.11227	1.2
166.33531	0.9
184.07355	9.4
185.07652	2.2
194.02951	0.9
206.71768	1.0
243.08418	4.6
249.11124	0.9
256.43524	1.0
269.17590	1.0
412.18796	0.9
412.33368	1.0
453.20944	5.6
467.18753	6.8
517.28064	1.0
679.32996	100.0
680.33276	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	679.3302
Annotation	Toxiusol
Peak:m/z	Relative Intensity
53.03937	0.9
53.15834	0.8
55.05526	1.1
56.05756	0.7
57.03426	1.4
59.01010	0.6
61.02938	3.5
61.09482	0.6
67.05503	3.6
69.03432	2.0
69.07066	0.9
70.27171	1.9
73.02931	2.7
78.82228	0.7
79.05515	2.7
81.03436	2.9
81.07053	4.3
83.05028	1.0
83.08639	1.9
84.54454	0.6
85.02918	3.6
86.09721	2.3
91.03992	1.6
91.05502	2.0
92.07462	0.7
92.39244	0.8
93.07056	4.2
95.04970	1.2
97.02881	4.0
97.06568	1.0
99.04469	1.2
100.11279	1.1
101.02394	0.9
105.07043	1.7
106.98815	0.6
107.08602	1.5
113.96004	0.6
117.07072	1.0
119.08647	0.7
121.06532	1.0
121.10149	1.6
125.00036	1.4
127.03960	1.1
133.10127	1.4
135.11783	0.7
145.10132	1.2
145.44911	0.7
149.13326	1.2
151.11331	0.9
159.11673	0.7
163.11333	1.2
184.07343	6.6
193.24240	0.7
210.15074	1.0
233.16701	0.7
243.08421	4.7
249.10963	0.8
253.14435	0.8
254.14673	0.8
453.21085	6.7
454.21332	0.9
467.18768	5.6
679.32977	100.0
680.33252	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
55.05515	1.8
57.03443	2.0
60.08164	0.7
61.02942	2.9
67.05508	7.1
69.03418	1.8
69.07056	2.1
69.17865	2.6
71.01357	0.5
71.04993	1.5
71.07365	0.6
73.02918	2.5
79.05496	4.4
79.32034	0.4
81.03424	1.9
81.07066	7.8
82.07391	0.8
83.04992	1.3
83.08638	2.0
85.02899	3.1
85.06544	1.0
86.09708	3.4
87.04510	0.6
87.10070	0.7
87.69562	0.4
91.03977	1.7
91.05470	2.3
93.07043	5.2
94.07397	0.8
95.04987	1.6
95.08606	3.7
97.02894	3.6
97.06545	1.4
98.98458	0.8
99.04473	1.2
99.08141	0.4
101.02406	1.3
105.07063	1.6
107.04994	0.5
107.08606	3.8
109.06522	0.7
109.10170	1.1
111.08035	0.6
117.07045	1.2
119.08595	1.5
121.06556	0.6
121.10155	2.3
125.00010	2.5
125.09631	0.5
127.03946	0.7
131.00972	0.4
131.08586	1.3
133.10178	1.3
135.08044	0.5
135.11703	3.9
145.10126	2.1
147.08124	0.7
149.13301	1.8
151.11212	0.5
159.11760	1.1
163.11206	4.1
167.10895	0.6
177.12851	0.5
181.12331	1.0
184.07349	11.9
184.08926	0.6
185.07736	2.4
195.13843	0.6
211.13469	0.4
219.09988	0.7
227.12741	2.9
235.13145	0.6
243.08455	2.2
249.11002	5.8
269.17542	1.3
270.17905	1.1
277.70224	0.4
277.73196	0.4
279.05011	0.4
291.15823	0.7
292.78873	0.4
305.13647	1.4
350.04294	0.5
424.27747	0.6
438.29169	0.8
450.29367	1.1
453.20963	7.7
454.20969	0.5
464.31039	1.2
467.18988	10.0
468.19138	0.8
469.29507	0.4
481.31406	0.7
482.31769	1.6
517.27301	0.6
543.87476	0.4
679.32971	100.0
680.33325	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01862	0.9
55.05515	3.2
57.03439	3.5
59.04995	0.5
60.50600	0.5
61.02928	6.3
65.03918	0.6
66.99648	0.4
67.05506	14.0
68.05836	1.5
69.03429	4.0
69.07061	3.5
71.04990	3.4
71.06400	0.7
73.02914	3.5
79.05495	7.8
80.05834	0.8
81.03423	6.2
81.07056	14.0
82.07397	1.4
83.01327	0.5
83.04985	2.5
83.08625	3.6
85.02903	4.9
85.06551	1.5
86.09704	1.5
87.04473	0.8
91.03951	3.9
91.05479	8.6
93.07042	10.4
94.07384	2.0
95.04987	2.2
95.08597	4.8
97.02895	4.2
97.06538	2.2
97.10126	0.7
98.06892	0.6
99.04446	1.4
99.19430	0.5
101.02393	2.0
103.03973	0.6
103.05458	0.5
105.07034	3.9
106.07398	0.6
107.04972	0.9
107.08590	6.8
107.59318	0.4
108.08944	1.0
109.02911	1.5
109.06519	1.2
109.10167	3.5
110.10544	0.9
111.08086	1.5
115.03909	0.6
117.07045	2.1
119.08589	2.8
121.06506	1.2
121.10127	3.4
123.08089	1.1
123.11682	1.2
125.00040	1.1
125.05984	0.7
125.09637	0.5
127.03923	1.6
129.07027	0.9
131.08549	3.1
133.10127	2.8
134.10503	0.5
135.08057	1.1
135.11665	3.9
136.12019	0.8
137.09601	1.2
143.08582	0.7
145.10152	1.9
147.11707	1.1
149.13301	2.2
151.07611	0.5
151.11208	0.6
155.08566	0.7
157.10155	1.1
159.11713	1.1
163.11194	2.0
173.09659	0.7
173.11815	0.9
175.11102	0.7
177.12790	0.7
181.12221	1.0
184.07332	6.1
185.07709	1.1
193.12279	1.4
195.13799	1.3
197.13344	0.6
211.13370	0.7
233.15424	1.6
243.08359	2.4
255.15747	0.7
256.16293	0.6
267.15994	1.0
269.17496	2.2
270.17871	1.4
287.18552	0.5
307.19086	0.8
423.27341	2.6
424.27661	5.9
438.29361	1.2
449.28952	2.3
450.29385	8.2
451.19470	2.7
453.20914	5.8
454.21368	0.8
464.30719	1.3
467.18863	4.5
469.20224	1.0
481.31595	1.9
482.31839	5.5
489.12759	0.5
499.30856	1.3
549.55798	0.5
679.32935	100.0
680.21710	1.0
680.33282	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01854	5.0
55.05508	17.4
57.03428	3.7
60.08159	3.4
61.02932	4.0
62.86251	2.5
67.05508	34.9
68.82929	2.6
68.99793	19.4
69.03432	5.7
69.07064	11.4
71.29275	4.3
73.02925	4.2
79.02219	2.8
79.05491	40.1
81.03416	100.0
81.07058	29.9
83.04984	9.1
83.08618	14.7
85.02906	5.7
86.09710	21.8
86.96463	2.6
89.80700	2.4
91.05484	24.3
93.07048	23.3
93.40677	2.6
95.04977	38.1
95.08605	22.2
97.02876	7.4
97.06545	15.6
100.11263	7.4
105.07024	19.2
107.04942	21.9
107.08603	20.2
109.06524	8.5
109.10163	8.1
111.00803	45.5
111.04444	9.9
111.08064	7.9
112.77681	2.8
113.05988	4.9
117.07021	6.9
119.08602	9.0
121.02847	7.1
121.06516	15.0
121.10155	26.6
123.04441	8.7
123.08067	6.0
123.11703	4.2
125.00038	13.8
125.05983	5.4
125.09611	3.2
127.03944	19.8
129.07025	7.4
131.08560	20.9
132.24007	2.9
133.06499	20.4
133.10123	13.6
135.08057	6.6
135.11708	13.8
137.05984	10.6
139.03912	30.3
139.07565	2.9
143.08606	3.1
145.06493	6.3
145.10115	12.6
147.04306	4.0
147.08028	8.7
147.11697	7.7
149.05861	4.7
149.09557	6.3
151.07587	8.0
153.05424	5.0
157.10141	6.2
159.11670	10.2
161.05916	4.2
161.09602	4.3
161.13283	4.4
163.03906	15.8
163.07564	4.2
163.14854	3.1
165.05484	7.5
165.09143	4.8
170.22810	2.7
171.08046	3.6
171.11771	4.4
173.09592	3.6
175.07497	3.8
175.11163	2.9
177.05470	3.5
179.07135	6.1
181.04971	10.3
181.08624	3.3
181.10117	3.2
184.07346	73.1
185.07700	3.2
187.11258	3.5
193.12263	3.8
195.10199	4.0
197.08119	4.9
199.13310	3.7
205.64450	2.7
207.06563	8.4
217.08611	4.2
223.13319	4.8
233.11749	8.9
235.13295	4.3
243.08525	3.5
249.18445	7.8
255.15854	6.1
259.09601	9.2
267.15848	4.9
273.11157	6.2
277.10687	6.1
289.01682	2.8
291.19446	3.6
305.20950	3.4
315.19427	14.6
317.21060	11.5
333.20563	52.1
335.22049	21.3
343.22620	4.1
344.32104	2.9
349.23630	11.9
357.89020	3.2
361.23465	3.2
369.24023	3.4
375.25363	3.7
385.23773	19.8
387.25107	6.0
392.76154	2.8
401.26962	19.5
403.24704	4.4
421.25931	3.9
427.28751	4.8
429.26529	6.4
445.29770	3.6
447.27258	11.9
453.20642	4.2
463.28204	6.4
481.29779	5.4
563.33136	8.3
571.30469	4.3
581.34369	11.1
589.31281	15.7
598.01764	3.2
607.32709	25.8
625.33716	23.2
643.34711	20.9
644.34998	9.4
661.36456	3.6
679.33014	72.7
679.50372	6.9
680.32916	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	679.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01871	9.0
55.05515	35.1
57.03434	5.1
57.07082	11.9
61.02911	1.2
65.03947	2.2
67.05506	45.3
69.03432	3.3
69.07066	18.9
71.04988	4.6
71.08638	8.3
74.25457	1.2
79.05493	33.6
81.03427	11.8
81.07057	42.1
83.04984	15.4
83.08623	19.5
85.02911	4.1
85.06548	3.1
85.10183	23.6
86.09708	2.7
91.04964	2.3
91.05478	26.1
93.06474	2.1
93.07047	33.9
95.04967	31.0
95.08608	21.3
97.06535	7.3
97.10175	15.3
98.22576	3.4
99.04453	3.6
99.08102	8.6
105.07037	21.4
107.04960	8.9
107.08595	26.8
109.06532	6.2
109.10160	21.8
111.04441	12.7
111.08080	11.4
113.06007	1.8
113.09657	16.4
114.79086	1.3
117.07035	7.8
119.08585	11.4
121.06525	3.3
121.10143	14.4
123.08073	5.4
123.11601	2.5
124.99985	2.2
125.05976	1.5
125.09635	15.2
127.03925	1.4
129.07008	3.0
131.08585	8.9
132.08778	1.3
133.10135	13.3
135.08061	5.9
135.11693	8.5
137.06010	1.3
137.09650	2.8
139.11118	1.7
142.51215	1.4
143.08546	2.0
145.10123	9.9
147.08041	1.7
147.11656	9.5
149.09621	10.7
149.13274	2.0
151.11185	6.4
153.09084	3.6
153.12743	5.7
155.08562	1.8
157.10170	3.2
159.11676	2.2
161.09639	1.6
161.13263	3.1
163.11180	18.7
163.14713	1.3
164.11522	1.4
165.12766	26.4
166.13066	2.0
167.10718	2.3
169.12239	1.5
171.11664	1.6
173.09581	1.8
175.11275	2.1
177.12822	3.1
179.10674	2.0
179.14333	4.7
181.12225	4.5
184.07388	8.8
187.11386	1.3
187.13165	1.4
189.11237	11.0
191.10701	2.4
191.14282	1.3
193.12300	2.5
195.13818	3.2
203.14430	1.3
207.13850	1.8
223.13271	5.5
227.12796	9.8
229.19577	1.6
231.21223	2.2
247.20628	2.1
249.22289	1.5
257.18906	2.4
275.20029	17.5
276.20251	1.9
277.21646	39.5
278.21948	3.4
283.15244	1.4
293.21118	42.9
294.21332	3.4
295.22675	100.0
296.23077	6.8
311.22092	1.9
349.23663	5.9
351.25308	6.2
367.24802	28.1
368.25012	2.5
369.26361	15.9
370.26715	1.6
407.24380	1.6
515.33636	1.6
539.39374	2.0
563.38293	1.9
625.44531	1.8
643.45782	6.0
643.54388	1.5
661.46686	20.6
662.46832	3.6
679.37903	9.1
679.49152	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	680.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59119	0.6
68.31081	0.6
69.03455	0.9
70.82928	0.8
79.05483	1.1
83.29936	0.7
91.05461	3.1
92.80408	0.7
92.84023	0.6
94.04219	3.1
95.04955	0.7
103.05486	2.1
105.07044	3.9
107.04971	0.9
108.05745	0.9
109.06520	20.0
118.04183	1.2
118.06544	14.7
119.07319	1.3
120.08095	0.8
121.06509	12.9
123.08071	2.6
127.03924	1.1
133.06493	34.8
134.06831	1.8
135.06792	2.4
135.08052	2.6
137.05977	92.5
138.06297	2.5
150.09145	84.7
151.07545	0.8
151.09491	3.0
153.01825	17.5
157.58125	0.7
161.05997	10.0
166.08699	0.9
179.07037	100.0
180.07332	3.9
196.09697	91.3
197.10100	3.3
221.16998	0.7
229.88326	0.7
237.03999	0.7
297.06049	1.0
315.07108	1.4
442.45294	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	680.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14574	12.5
57.07069	37.2
59.09520	11.2
59.48109	11.6
60.49599	12.3
64.69203	13.2
67.05495	23.8
67.12147	11.5
69.34020	11.3
71.08623	16.9
81.07090	26.2
86.49404	12.1
93.07059	20.1
95.08620	27.6
186.22495	12.9
313.90237	17.0
327.07657	65.1
337.27371	12.5
348.21310	13.7
383.14001	38.4
439.20288	37.7
475.36072	13.1
495.26379	35.9
508.40549	17.6
551.32629	21.9
607.38831	29.6
615.43048	13.4
663.44928	16.4
680.51996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	40.2
57.03452	7.9
57.07071	9.7
67.05508	86.8
69.04961	65.4
69.07070	31.5
70.29613	6.6
71.05024	7.5
71.08640	50.0
78.32570	6.6
79.05498	73.3
81.07060	100.0
83.04948	11.7
83.08643	32.6
91.05487	61.0
93.07056	78.2
95.04981	18.4
95.08612	62.8
97.06542	14.4
97.10148	7.2
99.08099	30.7
105.07052	44.1
107.04932	11.6
107.08611	39.2
109.06525	9.2
109.10157	23.0
111.08126	9.4
117.07002	14.1
119.08585	18.5
121.10175	33.0
123.11691	13.4
125.00076	8.5
129.07057	7.9
131.08580	16.0
133.10136	32.5
135.08092	6.5
135.11707	37.3
137.09599	10.5
145.10013	12.9
146.22993	6.3
147.11707	16.3
149.13268	7.9
151.11172	28.5
159.11710	8.2
161.13268	17.5
163.11197	12.7
175.14851	10.7
179.14319	58.5
184.07402	16.7
216.62434	6.5
229.14598	7.4
259.20480	10.4
269.17477	18.2
277.21671	70.9
278.21701	7.2
293.21097	8.3
295.22736	10.2
301.08005	6.2
313.15945	7.1
351.25272	41.6
533.53601	7.2
545.38300	81.1
583.39252	16.4
627.46088	30.8
628.45630	8.4
630.41461	8.5
680.48212	17.6
681.41199	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	681.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.5
55.05732	0.6
56.38412	0.6
69.03432	25.9
70.06591	1.3
71.29678	0.8
77.00413	0.7
80.94842	0.6
82.06573	0.8
83.08614	2.7
85.02907	10.8
97.02895	75.8
98.03230	1.2
100.07619	1.0
100.11265	14.3
101.11582	2.5
111.00759	0.7
111.04452	2.5
115.03938	3.3
121.06503	0.7
122.09730	0.7
127.03913	2.4
128.07083	1.3
137.02364	3.8
139.08655	1.0
149.02368	0.9
153.01839	5.1
154.27429	0.6
157.04967	22.5
165.01872	2.2
173.05978	0.9
182.15369	4.7
183.02927	0.8
183.15721	1.5
201.05479	1.7
206.68475	0.8
209.16524	3.5
210.14880	4.8
210.16833	3.2
211.15250	2.8
211.17076	0.7
217.07080	9.7
226.19128	1.2
229.05011	4.3
247.06017	0.9
257.04459	2.5
285.03915	1.3
303.04990	100.0
304.05252	5.7
315.04999	1.2
345.06055	1.6
387.03583	0.7
465.10269	8.8
662.50476	3.8
663.49677	1.2
680.51410	20.5
681.27045	1.3
681.51672	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	681.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
55.05504	1.1
57.03429	1.5
61.02928	1.1
69.03437	32.8
73.02913	1.6
81.03416	1.6
83.08623	0.6
85.02914	19.5
85.03432	1.0
87.04470	1.6
89.06023	3.4
91.05498	0.7
97.02900	85.0
98.03254	1.7
98.23401	0.9
99.04491	0.9
100.11253	5.1
101.11588	0.7
109.02908	1.3
115.03947	4.1
118.61655	0.5
119.04955	0.8
121.02885	0.6
121.06535	0.5
123.04472	0.8
127.03934	5.2
133.08626	2.1
134.08937	0.6
137.02333	2.7
139.03923	1.4
145.02792	1.2
145.04955	1.3
147.04417	2.4
149.02348	0.6
149.81076	0.5
153.01842	3.5
154.02150	0.8
157.04980	22.0
158.05415	0.6
163.03992	0.6
165.01854	2.0
177.05484	2.0
182.15434	0.9
183.02942	0.6
183.04469	0.6
201.05510	1.9
204.49080	0.6
209.16446	0.8
210.14882	1.7
211.15189	1.1
217.07111	9.0
218.07483	0.7
229.04999	4.0
257.04306	2.7
274.04764	0.8
285.03864	1.0
302.04062	1.5
303.05011	100.0
304.05325	5.9
315.05051	0.9
345.06171	1.4
411.70401	0.6
434.07294	0.6
465.10361	8.7
466.10678	0.8
514.74957	0.8
680.51385	4.9
681.10883	0.8
681.22662	2.2
681.50952	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	681.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78240	0.9
55.05510	8.3
55.43871	1.0
56.33147	0.8
65.03933	1.1
69.07079	1.4
70.06612	1.5
71.07881	0.9
75.82862	0.8
77.88400	0.8
81.07076	1.4
82.06570	1.4
83.08632	5.7
85.06577	0.9
85.15786	0.9
89.03938	2.6
91.05502	4.6
93.37193	0.8
100.07635	2.2
100.11259	22.4
100.11876	1.5
101.11625	1.9
101.94292	1.0
103.05508	1.2
109.02876	1.4
110.06010	1.1
111.04480	3.2
116.03606	1.0
117.03403	4.5
119.04926	8.0
121.06531	1.0
126.09177	1.7
128.07150	2.9
131.04927	1.1
137.05989	2.3
139.05066	0.9
139.08630	1.2
140.07097	1.4
143.41888	0.8
145.02840	10.9
145.03813	1.0
145.06534	1.2
145.84711	0.9
147.04408	21.7
147.05466	1.5
149.06044	2.5
153.01950	1.0
161.06026	1.1
167.10512	2.7
173.05923	1.3
175.03967	1.3
175.07532	1.6
177.05458	15.2
179.07031	1.1
181.05069	1.0
182.15413	9.8
183.15717	1.8
191.07120	3.5
201.05586	1.4
203.03191	1.3
203.07132	4.1
204.04073	1.3
205.04718	8.7
207.06137	0.8
209.16574	4.8
210.14935	13.0
210.16731	1.6
211.15282	3.0
217.08664	1.8
219.06471	6.2
225.05339	3.5
227.17635	1.2
230.05463	1.9
231.06352	1.2
234.08919	1.8
236.27359	0.8
241.04710	5.2
247.05757	1.1
253.17822	2.4
255.06468	3.2
256.07047	12.8
257.07980	2.0
285.07379	6.7
303.08469	1.8
337.10852	1.2
339.25220	3.5
371.11337	2.8
401.11914	5.5
409.12518	4.2
410.97076	1.0
429.12177	1.2
437.12219	1.2
439.13586	6.8
441.11566	4.3
453.34186	1.2
456.13895	29.1
457.14600	4.8
497.16660	1.8
518.35779	20.7
519.36731	3.8
662.49298	3.4
663.20441	100.0
664.20789	11.1
680.49945	21.4
681.21765	45.8
681.41760	48.5
681.50812	9.0
682.21832	6.6
682.42084	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	681.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62934	0.7
61.02927	1.5
67.05507	1.3
69.03419	1.0
69.84882	2.0
73.02907	0.7
79.05515	1.1
81.03429	1.1
81.07064	1.8
85.02897	1.3
91.03970	0.7
91.05491	1.3
92.52747	0.7
93.07056	1.3
97.02911	1.1
107.08636	1.2
127.03947	0.7
130.13023	0.8
133.10175	0.9
184.07388	2.7
185.07613	0.6
243.08574	0.6
331.16156	0.6
453.20959	3.7
469.20331	2.9
487.18665	0.9
584.11810	0.8
681.33032	100.0
682.33270	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.2
71.29080	1.7
73.39065	1.1
74.02998	1.0
78.18063	1.1
81.07049	1.1
143.25774	1.1
147.38728	1.0
147.40030	1.0
260.72089	1.1
269.10745	2.1
291.58353	1.2
438.32529	1.1
469.18286	2.1
487.18161	1.5
538.91711	1.3
681.32440	100.0
682.32678	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55626	0.5
62.22733	0.5
67.05508	1.7
69.07079	0.7
79.05479	0.5
81.07052	1.2
81.72374	0.5
87.92036	0.4
91.05486	1.0
93.07056	1.2
95.08614	0.8
105.07051	0.6
107.08634	0.8
109.06583	0.6
109.10154	0.9
119.08612	0.9
121.10191	0.5
123.08054	0.6
133.10143	0.8
145.10094	0.5
151.07607	0.5
156.18758	0.6
159.70625	0.6
163.11188	0.6
181.12332	0.6
184.20319	0.5
221.15375	0.8
267.36682	0.5
269.10565	0.9
309.20734	0.5
340.38168	0.5
373.27988	0.6
458.50500	0.5
469.18240	1.6
481.73190	0.5
487.18671	1.2
681.32422	100.0
682.32733	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
55.72381	0.5
57.03441	0.6
65.03960	0.6
67.05505	2.0
69.03432	1.3
69.07108	0.6
70.43687	1.1
79.05510	1.4
81.03438	0.9
81.07056	2.2
83.08609	1.0
85.06539	0.7
91.05497	1.9
91.15347	0.6
93.07068	1.8
95.04978	1.8
95.08600	0.9
95.89711	0.5
105.07041	1.8
107.08590	1.5
109.06528	0.6
109.10149	0.9
119.08595	1.3
119.51015	0.6
121.10126	1.2
123.08056	1.0
123.30735	0.6
125.09633	0.8
128.06308	0.7
128.36069	0.5
131.08578	0.8
131.54601	0.6
133.10121	1.4
142.07797	0.6
145.10118	1.2
147.08014	0.9
147.11639	0.7
147.50427	0.5
149.09566	0.8
151.07568	1.5
159.11742	0.7
161.09644	0.7
169.09941	0.7
181.12231	0.9
184.07448	0.8
221.15446	0.7
231.66580	0.6
238.05022	0.7
256.26431	1.1
269.10568	1.1
275.20187	0.7
325.93176	1.0
469.18054	1.5
487.18423	1.0
519.32599	0.9
681.32434	100.0
682.32776	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	681.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
53.61910	0.3
55.01877	0.5
55.05514	0.8
57.03435	1.4
61.02933	3.4
62.83321	0.3
67.05507	3.4
69.03437	1.7
69.07074	0.7
69.54127	0.8
69.54530	0.8
71.04996	0.5
73.02927	3.0
75.61502	0.3
79.05497	2.5
81.03418	3.4
81.07067	5.0
83.04980	0.6
83.08631	1.5
85.02904	5.2
91.03955	2.5
91.05491	2.9
93.07065	2.6
95.04978	0.9
95.08630	1.3
97.02892	4.2
97.06573	0.6
98.22684	0.7
99.04458	0.7
101.02393	1.7
103.03920	0.5
105.07052	1.5
105.12691	0.3
107.04957	0.5
107.08570	2.1
109.02905	0.9
111.08095	0.8
117.07037	0.6
119.08614	1.2
121.10176	1.1
123.08046	0.3
127.03954	1.1
129.06961	0.5
131.08588	0.9
133.10165	1.3
145.04904	0.4
147.11739	0.9
149.09682	0.5
149.13312	1.1
157.10184	0.9
159.11781	0.4
175.11302	0.8
182.81976	0.4
193.12291	1.1
211.13391	0.6
212.92252	0.4
235.13094	0.8
243.08340	2.2
251.12823	0.8
269.12598	0.5
269.17532	0.5
270.17828	0.3
403.14224	0.4
453.20972	6.0
469.20465	7.8
470.20801	0.7
519.30121	0.5
535.19910	0.4
679.55475	0.4
681.34558	100.0
682.34900	15.4
682.46655	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	681.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33698	1.5
54.44197	1.6
57.03409	1.7
61.02934	2.3
67.05518	3.1
69.03423	2.0
71.29958	2.6
73.02926	3.7
79.05493	1.8
81.03428	3.5
81.07088	3.3
83.08624	1.8
85.02916	5.9
91.03968	2.1
91.05534	1.7
93.07043	3.1
97.02915	4.4
101.02426	1.8
121.10164	2.1
133.10178	1.8
171.32121	1.6
193.12404	1.8
243.08574	2.3
361.50168	1.7
393.60001	1.8
453.21005	7.1
469.20819	5.2
628.90851	1.6
681.34552	100.0
682.35052	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	681.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01883	2.9
55.05516	13.1
57.07078	12.6
59.04999	3.5
65.03941	4.4
67.05510	19.5
69.03425	8.0
69.07076	11.8
79.05487	19.6
81.03440	2.0
81.07059	30.5
83.04990	5.4
83.06927	1.7
83.08641	4.6
85.06545	6.6
91.05482	37.9
93.07044	48.9
94.06860	1.9
95.04967	12.8
95.08614	35.1
96.08970	1.7
97.06525	3.8
97.94821	1.7
103.05450	3.6
105.07032	53.4
107.08598	39.0
109.06508	10.0
109.10169	18.8
111.08076	3.3
117.07026	15.1
119.08585	68.2
121.06502	7.4
121.10142	30.0
122.07304	2.2
123.08070	27.8
123.11720	7.2
125.06052	3.2
125.09657	2.4
128.06190	7.0
129.06992	8.1
130.07822	4.9
131.08575	27.9
133.06499	5.5
133.10138	45.6
135.08058	16.4
135.11697	21.9
137.09610	14.4
139.07555	2.0
141.07007	6.7
142.07767	13.2
143.08571	23.8
144.09305	5.9
145.10120	43.4
146.10519	2.6
147.08058	23.8
147.11690	15.1
149.09641	11.8
149.13255	2.5
151.07550	34.2
154.07776	2.4
155.08548	10.7
156.09386	10.0
157.10127	38.2
158.10910	6.7
159.08054	4.0
159.11700	27.7
160.12318	2.3
161.09639	8.0
161.13261	8.2
163.11186	9.2
165.06999	3.4
165.09129	42.3
167.08540	4.6
167.10701	4.1
168.09383	2.9
169.10132	14.4
170.10933	5.2
171.11696	18.2
172.12411	3.2
173.09610	3.4
173.13278	16.3
175.11223	5.3
175.14833	25.5
177.12727	2.0
179.08582	2.9
179.10461	2.6
180.09319	2.7
181.10150	7.6
181.12245	7.6
182.10896	6.1
183.11687	19.4
184.12405	3.6
185.13269	13.0
187.11182	5.5
187.14799	9.0
189.12726	13.5
189.16437	1.9
190.13515	2.1
191.14317	4.4
192.09206	2.0
193.10136	6.4
193.12170	2.8
193.16017	2.8
194.10907	6.6
195.11732	14.2
196.12485	4.2
197.13271	21.0
198.13968	3.9
199.11165	4.8
199.14824	4.5
201.12679	3.9
201.16412	5.1
203.14296	19.0
205.10193	2.1
206.10936	2.1
207.11711	7.5
207.13805	14.8
208.12421	4.8
208.14330	2.5
209.13258	11.5
209.15277	4.6
209.99362	1.7
211.11215	2.3
211.14778	9.6
213.12793	3.6
213.16400	3.0
215.14333	3.7
217.15907	2.8
219.13716	2.7
219.17459	3.8
221.13377	5.8
221.15355	100.0
222.13828	2.5
222.15738	3.9
223.14848	10.2
225.12775	2.6
225.16391	5.3
227.14153	3.5
229.15775	2.9
231.11700	2.5
233.13261	4.5
234.16205	3.6
235.14854	6.1
236.15094	3.6
237.12732	2.1
237.16360	5.6
239.17920	2.6
243.13860	1.9
244.12370	2.1
247.14778	4.4
247.17041	5.8
249.16246	3.9
251.18019	4.9
253.15901	3.5
261.18884	1.9
263.14105	2.4
265.19513	2.7
267.20993	3.8
271.16992	3.1
275.17926	2.8
277.19397	2.2
281.19049	4.3
285.18918	2.9
285.22113	5.8
286.19089	12.4
287.20074	3.7
289.17822	2.5
291.21103	2.2
297.22144	2.8
299.20041	5.9
300.20590	2.9
301.21817	3.2
325.21518	5.6
329.20984	9.6
333.22211	2.0
337.21689	2.8
352.24036	22.8
353.24237	2.9
365.24576	5.5
395.25803	3.1
398.27817	2.4
404.30457	5.0
412.29764	2.8
421.27252	6.2
425.30450	3.6
438.31149	12.4
475.32346	2.1
489.33521	2.6
491.35080	11.0
492.35498	3.9
504.35980	49.0
505.36136	7.5
527.34534	2.3
565.40216	3.0
583.41095	11.0
584.42401	10.4
663.47424	10.9
664.47400	4.5
681.49213	68.4
682.49255	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	681.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07555	2.2
53.03949	4.0
55.05516	10.5
57.07067	8.7
59.04998	4.8
63.09852	2.2
65.03934	2.9
67.05507	22.9
69.03427	6.6
69.07072	12.3
76.41322	2.1
79.05491	21.1
81.07058	28.7
83.04992	8.0
83.08634	4.7
83.48921	2.2
85.06544	4.4
91.05476	36.9
92.05811	2.7
93.07044	49.1
95.04999	8.5
95.08609	35.4
97.06538	5.2
103.05492	3.0
105.07029	59.9
107.08604	41.7
109.06541	9.7
109.10161	21.5
115.05486	4.0
117.07034	16.3
119.08585	81.1
119.09454	4.1
121.06496	5.2
121.10143	32.2
123.08092	34.5
123.11717	7.1
128.06235	6.3
129.07007	9.0
130.07758	7.3
131.08566	29.0
133.06564	3.4
133.10132	48.0
135.08087	9.5
135.11688	25.9
137.09586	11.3
141.07007	4.4
142.07799	12.7
143.08563	25.1
144.09286	4.7
145.10112	42.3
145.11118	3.4
147.08035	13.2
147.11707	19.7
149.09653	9.8
149.13258	5.4
151.07549	61.9
151.11185	2.9
155.08601	11.6
156.09338	14.3
157.10123	39.8
158.10872	4.7
159.08081	4.9
159.11676	28.0
161.09703	8.0
161.13222	11.2
163.11223	8.5
165.06996	3.5
165.09117	24.8
166.07863	2.4
167.08577	6.8
168.09314	5.7
169.10121	19.4
170.10899	7.4
171.11691	21.5
173.09656	4.9
173.13271	18.3
175.11201	6.3
175.14844	30.5
177.09143	3.8
179.08578	8.7
180.09349	4.4
181.10188	10.9
181.12299	5.5
182.10965	13.8
183.11708	15.8
185.13293	16.7
187.11259	3.2
187.14906	8.9
189.12743	20.6
191.14377	4.8
193.10135	5.4
193.15829	2.6
194.10889	4.8
195.11734	17.1
196.12436	5.4
197.13240	27.5
198.13950	3.7
199.14845	8.7
201.12804	4.2
201.16399	12.1
203.14375	10.1
205.12379	3.4
207.11803	6.0
207.13853	20.3
208.12430	3.6
209.13268	14.2
209.15123	2.8
211.14853	9.2
213.12758	3.1
213.16333	2.6
219.11855	4.5
219.17502	3.3
220.12573	3.1
221.13344	6.1
221.15346	66.3
222.13986	4.7
223.14755	11.7
225.16380	5.0
231.17448	2.6
233.13359	4.6
233.15471	3.4
234.16254	3.2
235.14919	6.5
236.15613	2.4
237.16379	4.9
239.17888	2.8
247.14690	2.6
247.17015	4.9
249.16528	4.8
251.18079	3.3
260.15497	2.6
261.16428	3.7
265.19604	4.0
271.17059	2.5
275.17776	3.6
277.19531	2.6
281.18973	2.5
285.18579	3.1
286.19379	9.5
287.20093	6.3
289.18286	2.9
293.18961	3.0
295.17096	2.6
297.22266	3.1
299.20282	2.8
303.21115	3.2
309.18817	2.7
312.21014	3.4
325.21735	7.9
337.21591	3.3
349.25290	3.0
350.25870	4.9
352.23932	21.8
365.25012	4.0
375.27203	4.0
376.27570	3.2
385.27695	3.1
403.29968	3.5
404.30804	4.1
412.29956	5.8
438.31439	7.8
439.31931	11.5
473.34741	3.1
491.34882	13.2
501.37375	3.2
504.36160	37.4
505.36298	6.0
527.35455	6.5
565.39716	3.5
583.41559	17.9
584.42297	11.8
663.47827	25.3
664.47766	5.8
681.48804	100.0
682.49078	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
51.02379	0.7
53.00313	0.4
53.03941	0.6
69.03426	1.5
71.28209	0.3
79.01857	6.0
81.03425	3.0
82.94086	0.3
85.02937	0.3
88.75349	0.3
88.78732	0.3
92.24979	0.3
97.02902	2.1
99.04482	0.4
107.01337	1.3
109.02888	5.4
121.06503	2.4
123.00836	0.3
125.02344	3.3
127.03066	0.6
127.03922	6.5
128.04222	0.3
133.02831	0.3
138.09129	0.7
143.03403	6.0
145.02841	0.3
153.01834	100.0
153.02902	5.8
154.02165	2.8
159.92963	0.3
161.02368	0.8
163.03896	1.2
167.03462	0.3
179.03429	0.5
189.01802	1.7
190.02533	0.3
191.03395	1.6
207.02879	1.3
217.01311	3.2
218.02103	0.4
219.02950	2.0
221.00821	1.0
235.02357	3.8
245.00826	4.0
247.02382	1.1
248.85464	0.3
261.03909	0.6
263.01913	1.5
273.00211	3.5
274.00818	0.4
275.01968	0.5
291.01367	1.3
300.99789	1.2
305.02997	0.4
319.00851	6.8
332.98907	0.4
333.02325	2.1
351.03522	1.0
445.04004	14.5
446.04208	1.4
459.05380	1.9
477.06598	1.7
480.66293	0.4
615.06213	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	682.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
51.98928	0.5
53.00312	0.6
53.03958	1.0
55.01875	0.6
65.03006	0.5
69.03427	1.4
70.06599	1.0
71.29993	0.8
71.57636	0.6
78.05443	0.5
79.01854	6.1
79.64156	0.6
81.03414	3.7
89.17350	0.5
97.02903	2.8
107.01324	1.7
109.02882	7.5
119.71807	0.5
125.02361	3.9
127.03915	9.8
143.03403	7.3
153.01833	100.0
153.02908	6.2
154.02155	3.5
163.03935	1.3
168.75967	0.6
170.24504	0.5
189.01825	1.5
205.05078	0.8
207.02876	1.0
209.77960	0.5
217.01350	2.1
218.02162	1.9
219.02875	1.7
231.02895	1.1
233.04382	0.8
235.02397	4.8
245.00717	2.9
261.04068	1.4
262.01102	1.4
263.01788	1.1
273.00394	2.9
274.01068	1.2
277.03406	2.9
289.03360	1.2
291.01288	0.7
300.99741	0.9
305.03033	1.8
319.00748	5.7
333.02420	8.9
351.03485	6.9
352.03970	0.8
441.04605	0.6
445.04172	1.1
459.05612	8.5
477.06409	3.3
495.07599	1.3
539.76752	0.6
603.33301	0.7
629.07855	0.8
647.08612	1.6
687.73938	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	682.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05508	9.0
67.05514	2.4
69.03442	2.7
70.06610	1.8
71.06918	1.4
71.30628	2.0
77.03946	1.6
77.08318	1.5
79.05515	4.8
81.03417	4.9
81.05782	1.6
82.06577	4.3
83.08627	5.6
84.08952	2.2
85.02906	4.3
91.05502	5.6
93.05801	2.6
93.07043	4.0
94.06570	20.9
95.04982	1.9
95.07359	5.3
96.08120	14.9
97.02906	3.1
97.06541	2.8
100.11258	31.8
101.11591	10.5
103.05470	1.6
105.04510	2.1
105.57574	1.5
106.06588	2.1
107.04999	1.8
107.07355	4.8
108.04482	2.5
108.08125	26.6
108.08849	1.5
109.02898	2.5
110.09681	29.6
111.04449	4.0
116.05005	3.2
118.06576	3.3
119.04961	1.5
120.04501	8.5
120.08109	25.9
122.06030	20.7
122.09684	12.1
123.06800	1.7
124.07623	6.8
127.03949	2.9
128.07109	3.1
132.08095	2.9
134.06036	3.6
136.07578	35.4
137.05991	2.3
137.07991	1.6
138.05522	4.6
138.09143	39.1
139.03922	3.0
140.07097	2.4
144.04466	5.6
145.02864	2.4
146.06007	16.9
147.04416	4.9
148.03955	2.0
148.07565	13.3
150.05527	2.3
150.09151	16.0
152.07106	2.7
153.01942	1.7
160.03932	7.0
160.07655	3.4
162.05545	4.8
162.09093	2.6
164.07059	5.9
166.05037	5.5
166.08641	67.5
168.10208	2.0
172.03944	24.7
174.05504	11.6
176.07127	2.4
177.05490	2.3
178.08614	1.8
182.15353	9.1
183.15739	7.8
184.09859	1.7
184.16057	2.5
186.09219	1.9
188.07138	2.6
190.04994	17.0
192.06561	3.5
196.09840	2.4
197.10698	4.3
198.11412	1.5
199.12366	1.6
204.06537	10.8
209.10802	4.8
209.16551	7.8
210.11276	2.2
210.14954	8.6
210.16862	5.2
211.08636	3.6
211.12291	2.4
211.15154	8.0
212.09474	6.6
212.15508	2.6
213.10271	5.4
214.08665	1.6
216.06487	1.9
222.07771	1.6
223.12367	3.9
223.55708	1.6
224.09456	3.2
225.10222	19.3
226.11009	5.8
226.19368	1.9
227.11845	5.2
232.09721	2.4
235.08734	3.2
236.09500	6.0
237.10228	32.7
238.10945	4.1
239.08162	4.2
239.11737	14.6
240.09029	1.7
241.09901	3.8
249.10236	2.9
250.07327	3.1
250.11073	2.8
251.08167	6.0
251.11719	16.1
252.09044	4.1
252.12561	3.4
253.09781	14.7
253.13333	2.4
254.10074	2.5
255.11310	9.0
263.12012	4.2
264.09003	5.0
265.09723	35.7
266.10291	5.4
267.11298	12.5
271.10913	3.2
273.12454	5.8
277.09836	2.4
279.11261	18.8
280.08270	1.6
280.11676	1.9
281.09259	6.1
281.12872	6.5
283.10718	3.8
293.09180	21.8
294.09824	4.4
295.10757	6.6
297.12372	6.2
299.10370	1.6
299.13852	2.9
307.10760	13.1
309.12387	2.0
311.10434	2.7
313.11789	3.7
315.08527	4.0
323.10254	2.1
325.11856	14.5
327.13419	4.2
335.10229	9.6
339.13669	2.0
341.11142	2.0
353.11374	3.5
355.12872	2.6
355.16861	2.1
357.14429	2.9
367.12836	3.3
369.14337	2.2
381.14487	2.0
390.18076	2.4
395.12442	1.9
397.14203	2.9
418.17664	2.2
427.15170	3.9
439.15097	2.6
439.71823	2.1
441.16510	4.1
449.13522	1.8
451.14780	1.8
455.14551	6.1
457.16000	4.3
460.18716	3.5
467.14417	12.3
468.14603	2.1
469.16058	4.5
479.14481	3.6
485.15674	9.1
488.18076	5.9
497.15369	10.5
502.19479	1.9
506.18958	1.6
548.20435	2.3
568.20532	3.4
578.24689	2.0
586.21735	10.1
594.24194	3.9
604.23035	15.6
606.24316	2.0
609.23175	18.2
610.23279	1.9
614.21240	10.6
622.23944	27.1
623.24170	2.8
632.22333	17.6
650.23438	100.0
651.23804	15.4
663.50684	8.6
681.51703	47.3
682.25409	3.8
682.52020	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	682.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05513	2.2
57.03431	4.7
57.07076	4.7
58.06603	32.2
59.07385	8.6
60.08163	7.8
62.03102	0.6
63.64128	0.6
67.05515	3.8
69.07064	1.3
71.08641	2.1
75.04483	1.7
77.59467	0.5
79.05497	2.8
81.03468	1.0
81.07053	5.1
83.04979	1.2
83.08646	1.6
83.71824	0.5
84.08120	0.7
85.02915	2.5
85.10184	1.3
87.04473	3.2
91.05508	2.0
93.07038	2.9
95.04991	1.1
95.08611	3.0
97.10168	0.6
103.08818	0.8
105.07050	1.1
107.08617	1.1
109.10177	0.9
113.06035	1.1
119.08624	0.7
120.96710	0.7
131.07083	1.8
135.11711	0.8
144.10202	13.4
160.20856	0.7
162.11237	4.4
163.11211	1.0
166.35674	0.7
178.76082	0.6
204.48784	0.7
206.39790	0.7
218.14000	0.8
236.14929	78.6
237.15332	2.9
272.34473	0.7
313.27304	0.9
412.37830	0.9
426.24680	3.9
444.25900	8.3
444.31717	0.7
445.26920	1.1
456.36914	4.8
457.37552	0.7
474.37897	15.2
475.38086	1.2
479.95010	0.7
541.43921	0.8
664.47473	2.1
682.48877	100.0
683.49475	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	682.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41944	4.6
55.01883	6.5
55.05512	43.2
57.03447	8.7
57.07095	8.6
58.06620	7.0
63.71224	4.8
67.05508	74.8
69.07066	39.8
69.11237	37.8
71.04995	9.0
71.08633	13.6
79.05498	30.3
81.03419	9.9
81.07053	83.0
81.14107	5.6
83.04985	12.3
83.08604	27.4
91.05492	23.7
93.07069	41.1
95.04970	23.6
95.08614	47.1
97.06555	7.6
97.10202	25.3
99.08086	11.6
105.07048	13.8
107.04959	15.1
107.08595	24.1
108.67326	5.3
109.10191	24.9
111.04472	9.5
111.08126	11.4
111.49544	5.6
117.07005	7.2
119.08594	22.8
121.10162	17.8
123.08101	7.5
123.11758	6.8
125.09656	18.6
133.10172	13.3
135.11713	15.6
145.10190	8.7
149.13303	8.3
153.09169	8.0
159.11694	6.9
163.11189	20.7
165.12732	9.7
171.87251	5.6
177.12726	6.6
189.11192	13.6
227.12830	18.4
236.14977	16.2
253.48929	7.5
273.18369	7.1
275.20108	20.1
293.21066	77.3
337.27328	100.0
338.27817	8.0
339.09494	6.1
349.23560	9.7
367.24643	27.6
385.25870	10.4
585.41125	46.6
629.47461	24.9
647.49420	14.0
648.49188	8.1
682.49200	14.0
683.44202	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	682.525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	6.2
55.05520	30.2
57.03438	15.5
57.07075	13.8
58.06598	34.6
58.22879	5.9
59.07386	9.4
60.08157	7.8
60.82265	5.3
67.05511	79.3
69.07065	31.8
69.27140	6.4
69.83099	14.7
69.83456	12.4
71.08621	14.3
77.67113	5.8
79.05500	47.9
81.03414	6.6
81.07072	61.7
83.04987	9.6
83.08633	11.6
85.06539	9.7
87.76452	6.5
90.17915	6.1
91.05479	34.4
93.07053	53.9
95.04955	9.9
95.08598	39.6
96.08877	6.8
97.10222	6.0
99.08077	8.1
105.07045	25.3
106.12337	5.8
107.08582	29.2
109.10162	28.7
111.08146	7.9
117.07008	9.2
119.08604	20.6
121.10122	13.2
123.11729	9.5
131.08553	23.2
133.10115	14.6
135.11697	11.9
144.10222	14.1
145.10121	9.8
147.11758	11.3
155.08641	6.3
159.11635	11.5
161.13310	7.4
187.14861	8.9
229.14360	10.5
236.14943	84.7
246.65146	7.6
248.28198	7.5
269.17526	12.0
277.21631	11.9
335.25800	38.5
337.27304	6.6
437.34445	6.8
474.37787	19.6
529.39001	34.1
611.46820	14.1
629.46790	14.0
682.49512	100.0
683.44006	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13366	0.6
51.79662	0.6
55.05496	1.4
57.03419	1.0
61.02921	1.4
67.05515	5.2
69.03414	1.2
69.07062	1.1
69.92332	2.2
73.02898	1.5
73.04707	0.8
77.64599	0.5
79.05489	1.5
81.03406	1.0
81.07027	2.8
83.04967	1.3
83.08607	0.8
85.02861	1.9
87.04446	1.2
91.03940	0.9
91.05425	3.0
93.07022	2.5
95.08602	2.0
97.02867	1.7
97.06512	0.6
97.10135	0.9
105.07006	1.5
107.08569	1.5
109.10117	2.6
119.08574	0.9
121.06448	0.7
121.10112	1.2
123.08042	0.6
127.03910	0.6
133.10127	1.4
135.11674	1.0
147.11694	0.9
160.94077	0.6
163.11230	0.9
173.11681	0.8
229.14328	2.5
239.09229	0.6
243.08400	0.8
243.15910	1.4
255.08971	0.9
257.65079	0.8
267.09021	1.2
267.15933	0.7
268.16180	0.7
273.09976	0.9
285.10010	1.0
355.07126	0.7
369.51630	0.7
373.63480	0.6
379.91882	0.8
383.24350	1.0
404.63715	0.7
429.08667	0.9
436.27402	1.2
455.16473	0.9
473.15875	0.8
483.07117	0.6
485.16904	1.6
639.33453	0.8
665.31195	1.9
683.30176	100.0
684.30493	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
53.03954	0.7
55.01875	0.6
55.05507	1.4
57.03445	1.4
61.02929	4.4
67.05175	0.6
67.05508	5.2
69.03439	2.7
69.07073	1.1
71.04998	2.6
73.02921	3.0
73.04765	0.6
79.05499	3.6
81.03436	1.7
81.07066	4.6
83.04979	0.6
83.08646	1.1
85.02920	3.5
85.06509	0.4
87.04464	0.5
88.75983	0.4
90.95094	0.4
91.03947	2.4
91.05474	2.4
93.07059	4.1
95.04964	0.9
95.08633	1.9
97.02903	3.9
97.06564	1.2
99.04489	0.9
100.50873	0.4
101.02409	1.2
105.07047	1.4
107.08627	2.5
109.02872	0.7
109.06497	0.5
109.10143	2.1
110.00291	0.4
114.92218	0.4
115.03974	0.5
117.07107	0.5
119.08598	1.3
119.45078	0.3
121.10184	1.6
123.11738	0.6
127.03954	1.5
131.08591	0.9
133.10175	1.1
135.08032	0.5
135.11694	2.5
137.09634	0.9
145.10135	0.4
149.13298	1.7
159.11734	0.6
161.09521	0.5
163.11290	0.7
173.11684	0.4
181.12227	0.5
185.04298	0.4
195.13853	0.6
243.08472	1.4
253.14261	0.7
267.15802	0.7
269.17557	0.4
362.04080	0.5
439.19321	3.2
453.21002	5.3
454.21420	0.6
471.22083	3.4
485.23447	4.0
486.23877	0.6
541.79535	0.6
571.53638	0.4
655.82147	0.4
683.36115	100.0
684.36469	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.361
Annotation	Lehualide K
Peak:m/z	Relative Intensity
51.02401	0.4
53.03954	0.7
55.01875	0.6
55.05507	1.4
57.03445	1.4
61.02929	4.4
67.05175	0.6
67.05508	5.2
69.03439	2.7
69.07073	1.1
71.04998	2.6
73.02921	3.0
73.04765	0.6
79.05499	3.6
81.03436	1.7
81.07066	4.6
83.04979	0.6
83.08646	1.1
85.02920	3.5
85.06509	0.4
87.04464	0.5
88.75983	0.4
90.95094	0.4
91.03947	2.4
91.05474	2.4
93.07059	4.1
95.04964	0.9
95.08633	1.9
97.02903	3.9
97.06564	1.2
99.04489	0.9
100.50873	0.4
101.02409	1.2
105.07047	1.4
107.08627	2.5
109.02872	0.7
109.06497	0.5
109.10143	2.1
110.00291	0.4
114.92218	0.4
115.03974	0.5
117.07107	0.5
119.08598	1.3
119.45078	0.3
121.10184	1.6
123.11738	0.6
127.03954	1.5
131.08591	0.9
133.10175	1.1
135.08032	0.5
135.11694	2.5
137.09634	0.9
145.10135	0.4
149.13298	1.7
159.11734	0.6
161.09521	0.5
163.11290	0.7
173.11684	0.4
181.12227	0.5
185.04298	0.4
195.13853	0.6
243.08472	1.4
253.14261	0.7
267.15802	0.7
269.17557	0.4
362.04080	0.5
439.19321	3.2
453.21002	5.3
454.21420	0.6
471.22083	3.4
485.23447	4.0
486.23877	0.6
541.79535	0.6
571.53638	0.4
655.82147	0.4
683.36115	100.0
684.36469	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03944	3.2
55.01875	3.7
67.42333	1.0
69.03431	1.6
70.06562	1.8
70.76796	1.3
70.77110	1.2
79.01862	7.3
81.03419	13.1
91.05795	2.0
97.02892	4.2
99.04451	1.5
109.02875	24.9
125.02360	4.3
126.02763	1.0
126.06525	0.9
127.03918	52.2
128.04259	1.2
143.03375	8.2
153.01831	100.0
153.02916	6.6
154.02173	5.7
161.91934	1.1
163.03931	3.9
165.01851	1.9
171.02809	1.2
177.01787	1.1
181.04929	1.1
191.03430	8.5
193.01419	2.7
193.36557	1.2
196.52094	1.1
203.03401	1.9
207.02875	1.9
218.02068	1.6
219.02925	10.5
221.00815	17.8
231.02814	2.0
233.00804	3.3
233.04364	2.1
235.02400	6.5
239.01888	4.7
247.02284	7.1
253.03491	2.9
257.00833	1.7
261.03836	1.5
275.01852	18.0
276.02643	1.6
289.03506	3.8
293.03052	1.8
303.01312	4.4
321.02380	7.0
335.03979	2.5
353.05078	16.2
359.03247	1.3
429.04376	2.7
447.05170	3.2
479.07922	7.7
497.09277	3.6
597.67828	1.1
617.07465	2.1
649.10388	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	684.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41557	1.2
53.03954	2.4
55.01883	3.4
61.41893	1.1
64.59574	1.2
70.62971	2.5
73.04761	2.3
73.22595	1.2
79.01846	6.2
81.03419	13.8
91.05792	4.5
97.02893	4.8
99.04446	2.2
109.02876	20.8
110.03145	1.4
125.02355	2.9
127.03917	42.6
143.03386	9.0
153.01833	100.0
154.02235	3.7
163.03935	4.0
164.04311	1.6
165.69621	1.2
167.05583	1.7
191.03339	9.7
193.01387	3.2
203.03426	3.4
205.01315	2.3
207.02896	4.7
217.01215	1.1
218.02101	2.4
219.02873	14.2
221.00813	19.9
223.02411	1.5
231.02953	4.4
233.00848	4.2
233.04526	1.6
235.02333	6.7
239.01814	10.2
247.02383	9.3
248.02939	1.3
253.03503	3.5
257.00870	3.6
259.02377	2.5
261.03928	3.1
275.01846	20.9
285.00403	2.2
289.03467	3.9
293.02908	3.5
303.01526	6.3
306.29837	1.4
312.17148	1.4
321.02548	3.7
335.04019	5.3
353.05035	27.6
354.05310	1.8
355.06906	2.1
359.03082	2.0
454.13397	1.4
461.07108	2.4
479.08334	8.6
497.09219	10.5
649.10468	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
50.53627	0.3
51.02383	1.3
53.03935	0.8
55.01865	1.3
61.45138	0.3
64.01051	0.3
69.03422	1.1
69.13663	2.3
69.33806	0.3
72.14757	0.3
79.01854	6.3
81.03426	5.0
84.08120	0.3
85.02913	0.7
91.05807	0.6
97.02901	2.1
99.04478	0.5
107.01315	1.7
109.02885	3.4
125.02343	3.7
127.03926	4.2
143.02292	0.4
143.03406	7.5
147.04445	0.5
153.01834	100.0
153.02899	5.5
154.02182	3.3
154.03430	0.5
163.03941	0.7
165.01883	0.5
171.02919	1.9
177.01929	0.4
191.03374	2.8
193.01320	1.0
201.01788	0.4
203.03433	0.8
205.01317	0.6
207.02965	1.3
216.60442	0.3
218.02051	0.6
219.02902	3.8
221.00819	6.1
222.01088	0.3
223.02293	0.5
229.01404	0.4
231.02925	1.1
233.00890	1.6
233.04492	0.5
235.02458	2.9
239.01848	3.5
243.78479	0.3
247.02429	3.2
253.03447	0.8
257.00858	1.1
259.02249	0.5
261.03955	0.5
275.01859	6.7
277.03366	1.0
285.00351	0.3
289.03583	1.5
293.02914	0.6
301.03699	0.3
303.01324	1.6
307.04651	0.5
315.52988	0.3
317.02908	0.4
321.02356	1.5
335.04065	0.9
353.05066	8.1
354.05322	0.7
461.07065	0.9
479.08237	0.9
497.09259	1.3
530.49933	0.3
649.10364	19.1
650.10651	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	684.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03961	0.2
60.05626	0.2
70.06584	0.5
71.14572	0.3
72.68060	0.2
79.01870	0.4
79.05499	0.8
86.59328	0.2
91.05444	0.4
93.07056	1.2
95.04954	0.2
97.02861	0.2
103.05470	8.0
104.05793	0.2
107.04960	1.7
109.02859	0.3
120.08110	100.0
121.06506	0.4
121.08435	3.6
127.03893	0.6
131.04926	2.1
136.90324	0.2
142.53238	0.2
143.03386	0.5
148.62326	0.2
149.05992	1.7
153.01816	5.4
153.02858	0.3
154.02170	0.5
166.08643	48.3
167.08969	2.0
172.13564	0.2
175.11879	1.1
191.03401	0.3
207.74321	0.2
219.02919	0.2
275.01770	0.5
353.05069	0.4
379.49673	0.2
429.08331	0.3
649.09558	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	684.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.6
55.01891	1.6
55.05519	12.7
56.29193	1.5
57.03440	3.6
67.05177	2.9
67.05510	30.3
69.07063	6.1
70.15957	1.4
79.05498	52.5
81.03438	7.1
81.07066	27.6
82.07381	1.8
83.04985	8.4
83.08617	4.8
85.06534	3.2
91.05483	38.0
93.07047	45.3
95.04980	13.7
95.08610	18.9
97.06525	4.1
97.10143	1.6
98.23409	2.8
99.08093	1.6
105.07038	29.1
107.04967	4.4
107.08585	12.9
109.06516	4.3
109.10162	2.6
117.07008	3.3
119.08575	15.0
119.09257	1.7
121.06512	2.2
121.10123	3.3
123.08065	3.5
128.06279	2.9
129.06987	13.0
133.10167	6.7
135.11575	1.9
143.08563	6.6
145.10136	8.0
147.11696	26.6
161.09666	2.4
161.13290	7.1
171.11682	19.2
171.71202	1.6
189.12788	8.7
207.13815	27.3
225.14908	1.6
249.99326	1.5
281.17493	53.0
282.17993	3.3
341.74570	1.5
469.29419	2.8
487.30557	100.0
488.30771	12.5
684.35242	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	684.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99604	6.5
67.05518	35.3
69.07086	8.8
69.54797	36.9
73.04745	12.1
79.05501	50.2
81.07067	30.9
83.04967	12.0
91.05441	23.2
91.05869	21.2
93.07062	46.9
95.04996	17.8
95.08572	16.5
105.07028	26.8
107.08578	12.0
109.06533	7.2
112.07621	14.9
119.08595	22.0
129.07019	12.7
133.10175	7.7
141.55141	5.9
147.11693	24.1
161.13260	8.7
167.05595	9.3
171.11693	26.1
189.12646	9.7
207.13823	23.1
215.46799	6.1
225.04411	16.4
239.09535	13.6
281.17365	65.5
359.02930	13.2
368.01660	7.0
429.09033	9.2
487.30579	100.0
488.31082	10.1
551.11395	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	684.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
55.05513	30.1
57.03438	11.1
57.07076	10.8
59.86207	3.1
67.05507	100.0
68.83449	2.9
69.00079	23.4
69.00481	6.5
69.07073	34.6
71.05011	3.8
71.08633	11.8
73.04752	4.0
79.05486	32.1
81.03406	4.0
81.07060	79.1
83.05003	6.0
83.08621	25.2
83.61604	2.9
91.05421	23.7
93.07043	39.8
95.04954	6.8
95.08607	54.9
95.09184	6.2
97.06516	6.8
97.10162	11.3
99.08115	8.2
105.07032	15.0
107.08613	21.3
109.10172	44.6
109.10851	6.2
111.08054	6.0
117.07030	6.6
119.08553	16.4
121.10142	11.9
123.11720	7.9
125.09669	8.5
131.08545	4.2
133.10114	11.8
135.11711	9.5
136.54323	3.5
137.09599	4.1
137.13277	3.4
141.90804	3.3
147.11636	3.2
149.13213	10.8
151.11139	4.2
155.10635	3.5
159.11778	4.5
161.13300	4.4
173.11742	12.5
175.14922	3.4
189.11166	6.6
208.91847	2.8
227.12836	16.8
229.14378	51.9
245.22736	3.1
263.23724	4.8
266.93292	3.0
269.17404	27.7
277.21609	14.5
295.22748	5.0
298.82990	2.9
328.43845	3.2
337.23422	6.5
337.27377	99.8
338.27655	7.6
351.25308	14.7
359.03104	3.3
369.26425	13.3
435.34717	3.7
454.17154	3.5
491.37347	41.5
505.38589	8.1
531.40479	53.1
532.40784	8.6
548.06891	3.2
586.41235	13.5
587.46014	5.1
613.48199	13.4
631.49341	12.2
684.46381	4.6
685.45746	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	685.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.3
60.59533	10.0
67.05507	14.1
69.61237	15.9
69.61660	47.0
73.04763	25.0
83.04987	50.1
91.05820	47.5
91.40395	12.7
93.07043	10.6
95.81331	10.1
111.04442	100.0
112.07632	17.4
123.25660	10.1
129.34644	10.3
153.05490	53.5
175.15527	11.8
239.09413	13.9
255.80035	10.3
272.44382	11.8
311.05286	67.3
355.07193	10.8
359.02582	11.4
429.08963	12.4
487.30420	13.4
593.09540	12.2
685.08020	89.1
685.37408	11.7
686.08173	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	685.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
63.02396	0.2
65.03941	1.3
65.56651	0.2
68.99821	0.3
69.03416	0.8
69.09768	2.4
69.10716	0.3
75.12437	0.2
76.03172	0.3
77.03929	0.7
77.57793	0.2
81.03419	4.3
81.98430	0.3
82.92706	0.3
85.02899	0.9
89.03916	0.8
91.05482	19.0
91.26128	0.3
92.05785	0.7
97.02872	0.3
103.05471	0.6
105.03392	0.5
107.01334	0.3
107.04951	0.4
109.02890	1.3
110.03680	0.7
117.03337	0.5
118.04161	0.3
119.04951	25.2
120.05257	0.8
121.06551	0.5
123.04482	0.4
127.03884	0.3
127.08747	0.2
129.03355	0.7
132.02066	1.6
133.02885	0.3
134.75514	0.3
136.05122	0.5
137.02356	5.1
137.03398	0.6
137.05959	0.4
145.02834	1.1
146.03609	0.3
147.04416	22.5
148.04787	0.7
149.02351	0.9
150.03140	0.8
151.03926	0.7
153.01819	2.0
157.03992	3.0
163.03908	0.5
164.04692	1.0
171.02884	0.4
173.06073	0.4
175.03912	40.4
176.04280	1.5
177.05453	1.4
179.07005	1.6
192.04161	0.8
200.04720	0.8
201.05446	0.4
203.07068	0.3
204.04195	1.1
205.04874	0.5
207.06531	85.6
208.06883	3.9
217.05070	0.4
225.07515	0.7
228.04175	2.4
229.04974	2.4
245.04453	1.7
246.04996	0.4
256.03653	0.8
257.04443	1.9
257.94781	0.3
258.05237	0.3
271.06171	0.5
273.03891	0.7
274.04684	4.3
285.04050	0.9
301.03436	10.5
302.04205	43.2
303.04510	2.7
317.06558	100.0
318.06900	6.4
347.07922	0.3
351.10736	6.5
352.11023	0.7
369.11774	3.4
370.12366	0.3
460.17426	0.3
606.67065	0.3
685.18292	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	686.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01868	3.5
55.05512	10.9
55.42679	1.0
57.01840	1.1
57.03436	6.2
57.07074	1.0
65.03924	2.0
67.05506	25.3
69.03427	1.8
69.07076	6.6
70.32505	2.2
70.32861	0.9
71.04975	2.7
73.02905	1.2
73.06548	1.3
79.05492	41.3
81.03403	6.0
81.07056	26.0
83.04968	6.1
83.08630	7.3
85.02891	1.6
85.06512	1.4
91.05463	26.2
93.07043	40.2
94.07368	1.3
95.04964	10.8
95.08611	28.7
97.02894	3.1
97.06525	4.8
97.10192	1.8
98.23337	1.5
99.04466	2.6
105.07034	22.3
107.04928	7.2
107.08594	21.7
109.06537	3.6
109.10130	4.0
111.04436	2.0
117.07011	8.8
119.08578	14.6
121.06503	3.8
121.10142	7.5
123.08105	1.6
125.06001	2.0
126.36134	0.9
128.06140	1.4
129.07005	8.0
130.07837	1.4
131.08537	1.4
133.10112	6.1
135.08102	1.3
135.11697	25.3
136.12073	1.4
143.08551	4.7
145.10115	17.4
147.08104	2.0
147.11694	13.5
153.12723	1.1
161.09633	1.2
161.13289	3.5
163.11185	38.6
171.11682	9.4
181.12244	6.4
188.94499	1.1
189.12730	3.9
207.13789	9.0
225.04346	1.6
227.12772	38.9
228.13013	1.6
276.83154	1.1
281.17465	74.1
282.17841	4.1
283.15393	32.4
283.18359	2.2
284.15692	1.7
327.01718	1.0
473.50818	1.3
489.28470	100.0
490.28799	12.5
686.36664	3.4
687.41162	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	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05512	14.2
57.03444	11.7
57.07066	3.4
57.60677	0.7
59.05009	4.0
61.02925	4.3
65.03935	2.9
67.05508	100.0
68.05851	1.1
69.03434	2.4
69.07072	8.5
69.72652	3.8
71.04995	3.6
73.02913	1.1
79.05496	21.7
81.07059	37.2
82.07404	1.4
83.04967	1.3
83.08616	8.1
85.02907	4.0
85.06531	2.9
89.01550	0.9
91.03932	1.8
91.05473	15.6
93.07048	26.3
95.04969	2.1
95.08613	27.5
97.02901	2.3
97.10179	2.6
98.23409	1.0
105.07030	5.4
107.08599	14.7
109.10161	70.2
110.10484	2.6
111.08092	3.0
117.07022	2.9
119.08583	12.4
121.10161	10.8
123.08115	1.0
123.11703	4.7
125.09622	1.0
131.08574	4.6
133.10120	5.8
135.11687	7.5
137.09618	3.1
137.13286	1.3
137.81352	0.8
145.10129	3.7
147.11700	3.7
149.13242	4.7
155.10681	5.1
155.56136	0.8
159.11717	3.4
161.13281	3.8
163.14844	1.6
173.11757	20.2
173.13252	2.7
177.16394	1.2
187.14827	2.3
195.44804	1.2
227.12779	3.9
229.14355	85.0
230.14648	3.8
243.19016	0.8
243.21025	4.7
251.92365	0.8
261.22168	16.9
262.22397	1.9
266.91705	1.0
317.24817	3.7
335.25815	71.3
336.26175	6.9
397.30878	1.2
464.68472	0.9
471.34732	1.0
489.35779	54.9
490.35999	6.5
507.36606	3.0
552.37317	1.3
644.31689	1.0
651.46570	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	686.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
54.78161	0.7
55.01875	0.7
55.05511	11.3
55.05763	0.8
57.03444	11.4
57.07087	1.5
59.05000	3.5
61.02921	3.7
61.92815	0.7
65.03946	2.5
67.05511	91.9
68.05835	1.0
69.03452	1.1
69.07076	6.7
71.05003	2.7
73.02927	1.1
77.00564	0.7
79.05500	17.5
81.03432	1.1
81.07061	34.8
82.07421	0.8
82.08014	0.6
83.05015	1.3
83.08629	6.2
85.02903	3.9
85.06559	2.4
91.03963	1.1
91.05482	12.2
93.07052	25.9
95.04967	1.3
95.08617	23.8
97.02901	1.5
97.06542	0.9
97.10186	2.0
98.22543	1.5
99.08105	0.9
105.07044	6.4
107.07874	0.8
107.08600	12.2
109.06532	1.0
109.10162	75.2
110.10495	1.9
111.08126	3.2
113.61538	0.7
117.07003	3.1
119.08598	9.8
121.10149	10.0
123.11705	4.4
125.09676	1.3
131.08568	5.5
133.10144	5.0
135.11702	6.6
137.09602	3.2
137.13261	1.2
145.10130	4.2
147.11702	2.8
149.13226	3.9
155.10686	6.7
159.11700	3.6
161.13297	3.1
163.14848	2.3
173.11758	22.0
173.13264	2.1
174.12131	1.0
175.14845	0.9
177.16394	1.2
187.14880	1.4
189.11258	1.1
197.76350	0.7
201.16339	0.7
214.02174	0.7
227.12778	5.4
229.14365	100.0
230.14728	4.9
243.21063	4.3
261.22150	15.9
262.22498	1.4
286.36127	0.7
304.44904	0.8
317.24771	3.0
335.25824	66.3
336.26184	5.1
397.31030	0.8
415.31952	1.7
464.21744	0.8
471.34537	1.0
489.35757	35.1
490.36151	4.4
507.36575	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	686.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81836	1.1
53.54791	1.2
55.05514	4.3
57.07080	34.5
58.80389	1.1
67.05503	4.9
69.07060	5.4
71.08635	31.2
73.06567	9.4
78.62106	1.1
79.05492	2.6
81.03410	1.4
81.07056	6.5
83.04985	3.3
83.08611	5.0
85.10183	21.2
87.04465	9.5
89.06036	100.0
91.07569	1.5
93.07047	3.9
95.08624	2.5
97.10172	5.3
98.22575	3.7
99.11707	2.5
105.07041	1.7
107.04977	2.2
107.07079	2.5
107.08599	1.4
109.10184	2.1
111.11725	2.9
113.13272	1.7
117.07114	1.3
117.09122	3.9
123.11774	1.1
125.13269	2.0
130.02167	1.1
130.08678	1.7
131.07018	2.1
133.08606	46.7
133.09615	2.7
134.06108	1.2
136.59271	1.1
139.14905	1.4
163.11156	1.2
175.09700	1.2
177.11229	16.8
184.59474	1.1
204.19821	1.1
211.24347	1.7
219.17509	1.7
221.13828	3.2
224.77296	1.3
239.14757	1.2
255.26707	1.2
279.12274	1.5
283.17487	1.5
299.29462	4.2
313.27365	7.8
327.20074	1.4
343.32074	2.9
413.22180	1.8
445.18451	1.6
459.27890	1.4
507.40250	4.9
527.72369	1.4
651.44360	1.6
669.51062	2.5
686.45422	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	687.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97264	0.6
68.88528	0.6
72.52573	0.6
73.04756	0.7
81.03433	1.0
109.02896	2.7
122.57751	0.7
124.77106	0.8
125.02399	0.8
127.03957	2.4
143.03419	1.5
153.01839	21.0
153.02808	1.1
177.01675	1.2
185.04274	1.2
191.03398	1.3
192.03947	12.3
193.04745	4.7
219.02890	2.8
221.00896	1.3
239.01717	0.8
247.02330	1.2
265.03589	0.8
275.01889	2.1
293.02945	1.1
297.98361	0.7
324.08200	1.9
333.13144	0.7
339.03543	1.8
355.10004	100.0
356.10388	6.5
483.07550	1.8
635.08075	0.9
653.09619	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	687.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04917	0.5
55.05515	2.5
57.03436	1.0
57.07076	1.4
67.05504	7.3
69.07069	2.1
70.63148	1.3
71.08662	1.0
75.38297	0.6
79.05493	3.6
81.03445	0.9
81.07056	6.5
83.08618	1.5
91.05452	2.6
93.07042	4.5
95.04968	0.8
95.08619	4.6
97.06553	0.9
105.07058	2.2
107.08615	2.2
109.10197	2.5
114.25732	0.5
117.07022	0.7
119.08589	1.2
121.10184	2.0
123.11767	0.6
126.85187	0.5
131.08585	1.1
133.10176	0.9
133.65376	0.6
135.11713	1.2
147.11758	0.8
184.07402	3.3
277.21832	1.2
319.22482	0.8
335.21921	10.1
335.25592	0.9
336.22446	1.0
359.34546	0.7
375.25253	1.2
382.23743	0.7
391.24582	5.2
410.96024	0.5
553.38568	2.2
589.48724	0.8
651.36359	1.2
687.48029	100.0
688.36371	1.3
688.48383	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	687.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05521	1.6
57.07072	1.0
67.05507	6.9
69.07068	1.8
69.56638	2.7
71.08640	1.5
79.05495	3.4
81.07049	6.5
83.08623	1.6
91.05502	2.5
93.07063	3.0
93.90003	0.6
95.08619	4.4
105.07044	1.6
107.08616	2.1
109.10184	1.7
119.08585	1.2
121.10126	1.9
131.08560	0.9
133.10120	1.1
135.11685	0.7
145.10110	0.8
147.11685	1.3
151.11182	0.7
184.07426	1.3
262.40109	0.6
332.13177	0.8
335.21933	9.4
335.25650	1.0
375.25250	1.2
391.24710	4.4
573.48517	1.2
589.48187	2.1
687.47968	100.0
688.48364	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	688.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75924	0.8
69.03432	4.6
71.04986	1.3
81.03428	2.6
85.02902	5.7
86.33479	0.9
90.96920	1.0
97.02898	10.0
99.00830	1.6
99.04475	2.1
109.02872	2.7
119.04945	1.2
127.03924	5.2
131.44257	1.2
133.02872	1.9
135.04419	2.0
137.02295	1.2
139.03856	1.7
145.04965	2.8
147.04427	3.4
149.09369	0.9
153.01819	17.3
153.02953	1.8
159.04329	1.5
163.03905	4.0
165.01836	6.4
165.05495	1.1
167.03398	5.3
170.69901	0.9
174.66763	1.0
175.03915	5.1
177.01869	3.6
177.05441	1.6
179.03391	3.8
181.01314	2.8
183.02861	8.1
184.24681	1.0
191.03375	13.4
193.01335	11.1
193.04990	3.6
195.02840	5.1
203.03403	39.2
204.03810	2.0
205.01300	2.0
205.05025	2.8
207.02957	3.4
209.04431	2.0
211.02414	4.5
219.02892	46.4
220.03223	2.4
221.00853	12.4
221.04315	4.8
223.02364	7.9
229.01259	1.4
231.02907	7.5
233.00790	8.2
233.04407	1.0
237.03961	2.6
239.01863	5.5
247.02396	76.1
248.02638	3.0
249.03935	9.2
251.01747	1.5
254.77649	1.1
259.02319	1.3
265.03491	11.0
275.01852	32.9
276.02197	1.5
285.00381	1.0
293.02927	35.7
294.03204	1.7
303.01376	2.3
308.21396	1.0
311.03986	1.4
321.02377	14.2
339.03470	100.0
340.03708	5.6
357.04510	50.4
358.04730	3.4
414.80969	1.0
427.14328	0.9
465.06332	1.1
483.07593	2.3
501.08661	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	688.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01877	0.9
56.71752	0.7
57.03437	1.2
69.03143	0.7
69.03439	8.1
70.80057	2.0
71.01353	1.0
71.05021	1.2
81.03428	6.2
83.01344	1.7
85.02909	8.2
96.04494	1.5
97.02901	15.1
99.00819	1.8
99.04465	6.2
101.02390	1.5
105.03399	0.7
109.02879	4.1
111.04488	1.0
118.06538	2.6
126.05506	1.3
127.03930	10.5
131.04843	1.1
133.02853	2.2
135.04398	1.1
137.02324	1.6
139.03914	1.5
144.08073	1.4
145.04964	2.6
146.06015	9.7
147.04393	5.0
149.02361	1.3
151.03842	0.9
152.61066	0.7
153.01840	7.4
159.04427	2.6
163.03893	4.0
165.01842	7.4
167.03391	7.5
170.06030	1.0
175.03954	4.5
177.01851	1.7
177.05554	1.0
179.03450	3.6
181.01347	4.6
183.02888	8.4
188.07077	15.2
191.03395	13.6
192.03627	0.9
193.01320	10.7
193.04977	2.4
195.02917	6.2
201.01918	1.4
203.03404	46.2
204.03729	2.4
205.01338	2.0
205.05017	4.4
205.09755	4.3
207.02907	3.8
209.04454	1.9
211.02383	5.8
219.02907	42.0
220.03270	2.3
221.00858	11.5
221.04335	5.1
223.02371	10.6
229.01357	2.2
231.02917	10.8
233.00836	7.1
236.33672	0.8
237.03972	2.7
239.01883	6.0
239.36975	0.8
245.06451	1.5
247.02394	78.5
248.02754	3.0
249.03967	9.0
251.01973	1.5
251.44247	0.7
259.02298	1.1
265.03452	11.4
275.01868	37.5
276.02252	2.2
277.03406	0.9
293.02924	37.3
294.03281	1.9
299.68631	0.9
303.01306	4.7
311.03937	2.6
321.02405	15.7
339.03482	100.0
340.03882	5.4
357.04526	41.3
358.04916	1.6
366.44006	0.7
388.81903	0.9
439.08508	2.0
441.97702	0.9
465.06683	7.3
483.07639	17.0
484.07727	0.9
501.08975	4.4
502.08762	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	688.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93862	1.8
53.03959	7.6
55.01878	1.9
55.28247	1.7
59.05733	1.5
69.03432	13.6
69.55696	2.9
69.56100	7.5
71.05001	2.2
71.84071	1.4
81.03424	18.1
85.02892	3.2
97.02895	19.0
99.04479	3.5
109.02887	61.6
127.03915	30.4
133.02863	1.9
137.02386	1.8
139.03906	2.8
143.03397	1.8
145.04959	41.6
147.04379	4.5
149.02310	1.6
153.01839	26.8
153.02957	2.7
159.04408	3.2
159.90659	1.9
163.03894	3.9
165.01855	6.7
167.03458	6.9
175.03938	6.5
175.11957	2.8
177.01802	3.1
179.03406	2.8
181.01344	2.1
183.02945	9.0
190.03935	1.9
191.03369	14.9
193.01352	12.3
195.02965	6.4
203.03394	43.4
205.01320	2.5
205.05038	2.7
207.02968	2.8
211.02483	6.1
219.02899	47.9
220.03371	2.5
221.00813	12.8
221.04469	5.3
222.01437	1.5
223.02419	10.9
231.02962	9.5
233.00827	8.1
239.01833	4.2
246.75954	1.7
247.02382	66.0
248.02760	4.2
249.03944	8.1
251.02098	2.1
265.03500	11.0
275.01849	34.1
293.02908	41.2
303.01434	2.4
321.02423	12.9
339.03491	100.0
340.03879	4.2
351.03641	2.3
357.04541	38.5
358.04919	3.8
401.77942	1.7
447.05573	3.6
465.06650	24.3
466.06821	2.1
483.07770	5.9
574.60767	1.6
574.81464	1.7
658.42810	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	688.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03952	2.4
53.97717	0.8
55.01870	1.3
56.12383	0.7
57.18245	0.6
61.56112	0.6
65.03933	2.0
65.40059	0.6
66.04739	0.7
69.43665	3.7
79.05505	1.7
81.03425	1.2
81.07061	2.2
85.72653	0.6
91.05488	16.7
93.07050	12.0
94.04202	4.1
95.04971	3.1
103.05464	8.6
105.03404	0.7
105.04511	1.5
105.07069	1.0
107.04971	2.7
109.06545	6.0
110.03692	0.8
115.05476	3.7
117.03394	2.8
117.07032	2.4
119.04946	7.2
120.05748	1.3
121.06514	74.9
122.03640	7.7
122.06852	2.3
125.05975	1.4
131.04951	1.6
133.02834	1.6
133.06506	1.3
135.04407	0.7
136.07639	1.2
137.05984	100.0
138.06355	3.4
138.09154	11.8
141.03329	1.7
143.04941	1.5
144.05685	1.8
145.02882	4.6
145.06502	2.5
146.03622	1.2
146.06090	0.8
147.04416	6.4
149.05988	3.8
151.03883	2.8
151.07576	1.5
153.05414	1.3
160.05191	6.9
161.05998	4.9
163.03931	1.3
164.07120	3.5
167.07050	1.3
172.05211	2.8
173.05980	2.2
175.04051	0.9
175.07567	16.4
177.05487	9.3
177.06883	1.4
178.07773	1.6
179.07042	3.5
179.08524	1.5
187.07530	9.4
189.05475	1.1
189.07053	2.0
191.07037	4.6
191.08565	1.3
199.07588	5.4
201.05368	47.6
202.05823	1.8
205.06627	1.6
206.07245	1.8
207.08130	5.8
211.07545	1.9
217.06529	2.2
218.07359	1.4
219.08188	4.2
221.06029	0.9
221.09550	1.5
222.11226	1.0
229.08627	1.0
230.08139	3.1
231.06505	5.7
231.08394	0.7
233.05901	0.9
233.09537	0.9
234.06783	6.4
235.07570	6.1
236.08218	1.9
237.09106	2.0
238.09813	0.8
245.06055	2.2
246.06604	0.8
247.07550	3.7
248.04610	1.2
248.08176	1.5
249.09105	8.9
250.10089	0.9
251.07065	1.8
251.10648	2.1
253.08685	2.2
261.09229	1.7
262.06372	3.3
263.07043	8.3
264.07709	2.4
265.08615	3.2
266.09296	1.0
268.07153	1.0
276.07755	0.9
277.05585	0.9
277.08615	14.0
278.08966	1.7
279.06717	1.1
279.10156	5.5
280.07428	1.1
280.10541	0.9
281.08099	2.2
282.09030	1.1
283.09711	3.4
291.06564	11.0
291.09753	1.1
292.07004	1.3
294.08826	2.7
295.09644	3.4
296.10336	4.2
297.11166	2.4
305.08295	4.5
306.08762	0.9
307.09720	1.4
309.11151	6.8
310.11798	1.3
311.12756	4.4
312.12482	0.8
321.11212	1.1
322.08252	1.5
323.09128	13.2
325.10764	1.5
326.14444	0.8
327.12491	1.0
328.13239	1.1
335.09134	1.2
335.12799	3.0
337.10724	5.7
338.13828	2.9
347.12833	0.8
349.10916	1.1
350.14072	1.4
353.10272	5.9
355.11798	7.5
357.13293	1.8
358.14084	1.4
361.10696	1.8
379.11768	1.7
379.84033	0.8
397.12756	2.2
460.17572	32.4
461.17838	3.7
472.17657	4.2
473.17538	0.9
474.19177	4.7
486.19235	1.7
490.18588	4.9
492.20343	1.7
498.18900	1.9
515.16895	1.3
516.20190	7.5
533.17719	2.4
534.21234	18.0
535.21771	1.7
551.19244	8.2
552.18579	1.0
640.24988	1.2
652.25110	3.7
653.25049	0.9
670.26440	14.9
671.26331	3.1
688.27606	9.5
689.27216	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	688.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
53.21816	1.2
55.01875	1.6
65.03946	3.3
67.05518	2.8
70.06587	1.6
79.05498	1.9
81.03409	1.5
81.07067	1.4
86.09702	6.2
89.03959	3.3
91.05480	24.3
93.07055	10.1
94.04170	1.5
95.04972	15.1
103.05466	11.2
105.03388	1.4
105.04513	1.6
105.07030	2.7
107.04968	4.1
108.14108	1.4
109.06522	2.0
115.05463	4.6
115.08735	1.7
117.03376	6.9
117.07056	2.5
119.04964	12.0
120.05777	6.4
121.06509	56.8
122.03647	4.9
122.06893	1.4
123.04433	8.4
130.04198	2.0
131.04956	4.2
133.02870	10.3
133.06509	2.4
135.04404	3.1
136.07614	6.0
137.05984	39.2
138.09148	3.1
141.88091	1.3
143.04991	3.2
145.02856	14.1
145.06490	6.1
146.03564	1.7
147.04413	11.9
149.05984	7.5
151.03943	4.2
151.07466	6.2
152.36261	1.3
153.05505	2.3
155.07063	3.5
158.03647	8.4
160.05209	2.3
161.06000	9.6
162.06654	2.0
163.03941	2.3
163.07608	1.8
164.07141	3.7
165.05533	1.5
165.06935	1.5
173.05997	20.1
175.03790	2.6
175.07602	5.3
177.05475	32.4
177.07021	2.0
178.05836	2.4
178.07616	1.3
179.07080	4.6
181.04987	3.4
181.06429	2.0
183.06583	5.5
186.03111	3.0
187.07637	2.4
189.05498	2.2
189.07050	1.7
191.07069	2.8
194.07274	1.6
201.05475	100.0
202.05806	4.9
203.07030	1.9
205.06485	4.0
207.06477	2.7
207.08192	2.5
213.05460	10.1
217.06636	2.8
219.06400	6.4
220.05197	3.2
221.06052	3.5
222.06723	1.6
228.89165	1.4
230.08145	2.8
231.06439	15.0
233.06064	5.0
234.06813	3.9
235.07552	9.9
236.08284	2.4
237.05357	2.0
237.09030	4.2
247.07703	2.8
248.04735	4.3
249.05382	2.2
249.09154	3.5
250.06163	2.1
251.07133	2.6
253.08704	3.2
258.06589	1.4
261.05283	2.5
261.09137	1.9
262.06198	4.6
263.07056	12.2
264.07651	7.2
265.04993	2.3
265.08578	5.9
266.09280	2.3
267.10159	4.4
275.06903	2.2
276.07675	1.7
277.08597	3.9
278.05740	2.2
279.10095	2.4
280.07318	2.2
283.09634	3.0
289.08725	1.6
290.05807	3.9
291.06497	5.3
291.09732	1.8
292.07474	6.2
292.10571	1.3
293.04947	1.7
293.08072	6.1
295.09683	8.5
297.11237	3.9
303.06616	1.5
305.08218	6.6
305.11316	1.5
307.09647	5.4
308.06488	2.4
308.09628	2.8
312.12268	2.3
314.13715	1.7
315.12411	1.5
320.06744	2.0
321.11249	1.7
322.08426	2.4
323.09152	26.9
324.09521	1.7
325.10666	8.7
327.12320	2.1
331.09720	1.8
333.11331	1.9
335.09174	5.0
337.10544	11.2
338.13898	43.9
339.14276	5.1
349.10760	7.6
350.14029	7.8
355.11829	6.6
356.15103	7.1
358.14114	2.8
361.10791	4.4
368.14868	9.5
455.14508	1.5
460.17499	9.5
461.17932	5.0
462.18930	4.2
472.17493	2.4
473.16177	3.3
477.28131	1.5
483.14737	1.7
485.15784	3.5
486.16373	2.1
490.18646	3.1
503.17026	5.0
573.30304	1.6
610.24432	7.5
611.24304	1.8
622.22717	1.7
640.25189	6.9
641.25348	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	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.05515	20.2
57.02456	1.7
57.03444	12.1
58.30930	1.8
67.05177	3.6
67.05508	41.9
69.03429	2.9
69.07081	13.6
71.04986	5.4
79.05499	68.2
81.03423	57.8
81.07065	45.6
83.04980	19.9
83.08619	17.3
85.02908	18.1
85.06567	2.7
91.05485	62.7
92.05818	1.9
93.07047	53.0
94.07373	1.9
95.04977	29.6
95.08608	21.9
97.02905	3.7
97.06520	4.5
97.10189	5.9
105.04559	3.8
105.07037	43.7
107.04969	7.9
107.08595	15.8
109.06543	7.7
109.10161	3.9
111.04456	1.9
111.08096	7.5
113.06008	2.4
117.07032	7.8
119.08585	30.4
121.06473	2.5
121.10159	10.6
123.08064	6.5
127.07508	2.2
128.06190	2.2
129.07002	17.8
131.08592	6.6
133.06459	3.6
133.10149	16.8
137.09654	2.6
142.07777	3.7
143.08597	4.3
145.10139	9.6
147.08038	3.2
147.11696	32.5
149.09636	4.6
151.11177	2.2
157.10156	8.7
161.13275	6.8
165.12857	2.6
171.11711	14.5
175.11201	10.7
175.90318	1.9
187.24646	1.9
189.12801	4.3
193.12239	28.1
194.12712	2.1
207.13817	20.6
211.13313	38.7
224.40161	2.0
267.15930	43.6
281.17480	63.2
282.17920	5.8
285.16971	41.8
286.17227	2.6
473.29034	100.0
474.29321	7.2
491.22836	4.3
491.30103	82.4
492.30344	9.4
679.20770	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	688.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.8
57.03440	11.7
57.07069	3.3
59.05004	2.6
60.84514	1.1
61.02911	4.3
67.05505	87.6
68.05832	2.6
69.03411	1.3
69.07073	14.3
71.04985	3.3
71.08608	2.1
77.96039	1.3
79.05486	10.6
81.03408	1.6
81.07059	35.6
83.04958	2.2
83.08625	10.3
85.02915	5.3
85.06594	1.3
86.09721	6.3
88.90028	1.2
89.06023	2.2
91.03980	1.4
91.04975	1.4
91.05450	8.5
93.07062	10.9
95.04977	1.3
95.08601	25.0
97.06535	1.3
97.10175	2.9
99.08060	2.1
105.07037	5.6
107.08588	8.1
109.10160	58.9
109.10915	2.8
110.10445	2.2
111.08079	3.6
116.19024	1.2
119.08584	10.2
121.10143	4.9
123.11674	3.2
125.00011	3.0
133.10100	4.0
135.11717	3.9
137.09607	2.5
145.10030	1.5
147.11685	2.6
153.12782	1.5
155.10646	4.0
161.13226	2.0
163.14806	1.8
173.11722	17.4
184.07367	19.9
227.12631	1.8
229.14351	100.0
230.14688	5.4
255.15897	4.6
263.23630	4.6
311.25833	2.7
337.27341	60.3
338.27808	7.1
491.37314	58.2
492.37668	9.2
500.88364	1.3
573.48419	2.1
596.82764	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	688.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01855	1.6
55.05512	19.4
57.03448	11.9
57.07061	6.7
59.04985	2.3
61.02922	5.0
65.03918	3.8
65.37894	1.6
67.05508	100.0
68.05843	1.8
69.06731	1.9
69.07072	17.0
71.04998	3.6
71.07273	1.5
71.08620	2.6
71.46384	1.4
72.21515	1.5
76.28597	1.3
79.05504	12.1
81.03423	1.9
81.07064	42.9
82.07374	1.7
83.08615	15.2
85.02905	3.7
85.06528	3.0
86.09689	6.5
89.05994	2.9
89.76157	1.5
91.03976	1.8
91.05481	14.2
93.07039	14.7
95.04932	2.6
95.08608	27.7
96.08918	2.1
97.02889	3.3
97.06525	1.9
97.10164	4.8
99.08096	1.8
105.07007	5.7
107.08614	8.3
109.10164	65.7
110.10512	1.8
111.08082	3.9
119.08582	8.5
121.10154	4.6
123.11711	4.1
124.99980	3.0
131.08524	1.6
133.10107	5.0
135.11714	3.3
137.09630	4.1
147.11667	4.1
149.13216	2.4
155.10638	1.8
159.11699	2.2
161.13246	1.7
173.11775	15.3
184.07347	19.3
229.14351	73.3
230.14775	4.3
245.22791	2.1
263.23688	4.3
337.27359	64.8
338.27841	5.5
491.37381	65.6
492.37701	8.5
573.48413	3.1
592.82043	1.5
606.74652	1.5
688.41052	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	688.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.1
57.03434	1.1
57.06799	1.8
57.07077	33.8
67.05499	3.0
69.03426	1.4
69.07065	4.9
69.48315	7.0
71.08240	1.7
71.08638	31.9
73.06559	9.4
79.05491	2.0
81.03407	3.2
81.07052	4.1
83.08619	2.6
85.09691	0.8
85.10188	19.1
86.09715	1.5
87.04468	9.1
89.06036	100.0
90.06358	1.3
90.18561	1.1
91.04533	1.1
91.05442	2.2
91.07578	1.6
93.07033	1.6
95.04954	1.5
97.10153	4.0
99.11740	4.0
104.43104	1.1
106.70683	1.2
107.04952	1.3
107.07056	1.3
107.08612	1.6
111.11713	3.0
113.13297	2.7
117.09147	7.5
124.99944	1.6
127.03888	1.3
130.08662	3.0
131.07021	2.8
133.08603	51.0
133.10129	1.9
140.49054	1.1
161.11769	2.0
161.70134	1.2
169.19550	3.4
175.09685	2.0
177.11209	17.7
184.07266	6.0
193.12271	1.1
211.13379	1.7
213.22086	2.1
221.13829	3.9
246.24942	1.2
257.24792	7.5
265.16385	1.3
283.17249	1.5
301.27371	4.3
412.05899	1.1
412.98090	1.1
503.30832	1.7
515.23578	1.4
665.04797	1.3
671.49756	1.8
688.51483	2.5
689.42328	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	689.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02217	28.8
70.06609	47.6
71.28476	68.3
80.20815	35.0
80.57190	30.1
94.93001	57.1
137.69112	30.4
147.11298	32.2
153.01843	60.6
174.89639	100.0
183.85521	32.8
291.88937	31.5
473.74069	35.4
689.03986	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07151	0.2
68.25111	0.3
74.02428	0.6
77.20607	0.2
90.32415	0.3
90.76534	0.3
91.05493	1.0
98.22558	0.5
109.02840	0.3
115.05454	1.0
117.05775	1.0
117.07030	0.9
118.06540	19.1
119.06891	0.5
119.87064	0.2
127.03924	0.4
128.04210	0.3
130.06531	1.5
132.08081	5.3
142.06505	1.9
142.07455	0.3
143.07295	2.4
144.04463	0.6
144.08081	12.8
145.08459	0.4
146.06004	58.2
147.06320	2.0
153.01828	4.5
153.02965	0.5
154.02138	0.5
159.09172	6.0
160.07578	1.0
170.05986	4.0
188.07060	100.0
189.07401	4.3
205.09720	36.3
206.10048	1.6
327.07446	0.3
359.94659	0.3
467.08157	0.3
633.25177	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	689.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05517	1.1
55.80205	0.3
57.03440	1.4
61.02928	3.4
67.05504	4.9
69.03431	1.8
69.07053	0.6
69.11824	1.6
69.12249	1.2
71.05003	0.4
73.02934	2.7
79.05495	6.5
81.03421	2.5
81.07068	3.7
83.04991	1.2
83.08645	0.5
85.02918	3.1
91.03950	2.3
91.05484	4.9
93.07038	5.0
95.04975	1.8
95.08624	2.2
97.02894	3.0
99.04444	0.7
101.02389	1.7
105.07032	3.6
107.04970	0.5
107.08599	1.2
109.02911	0.8
109.06509	0.9
117.07001	0.7
119.08593	2.2
121.10184	1.0
123.08062	0.9
127.03932	1.3
129.07048	1.4
129.43436	0.4
129.67546	0.3
133.10126	1.0
145.10107	1.0
147.11716	2.9
161.13303	0.9
168.97343	0.3
171.11638	2.5
189.12802	0.6
207.13849	0.8
243.08417	2.0
247.13089	2.0
281.17654	0.7
303.15680	1.1
325.14270	0.4
390.00674	0.4
465.21014	14.3
466.21472	1.5
689.35040	100.0
690.35376	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79807	0.4
53.03936	0.7
55.01859	0.6
55.05505	1.6
57.03437	1.0
60.75303	0.5
61.02921	2.8
62.94742	0.5
65.60133	0.4
67.05505	3.4
69.03439	2.0
69.07087	0.8
71.05008	0.5
73.02923	2.3
79.05492	6.1
81.03423	1.7
81.07051	3.0
83.04978	1.1
83.08597	0.6
85.02907	3.7
86.09731	1.2
91.03964	1.7
91.05478	4.4
92.42671	0.4
93.07052	4.4
95.04977	1.9
95.08593	2.5
97.02901	3.3
99.04463	0.7
99.19740	0.4
101.02404	1.4
101.89487	0.4
105.07040	2.9
107.04958	0.5
107.08611	1.7
109.02898	0.7
109.06516	0.4
117.07030	0.5
119.08565	2.0
121.10130	1.0
123.08120	0.5
125.00018	0.8
127.03941	0.6
129.07039	1.0
131.08582	0.5
133.10141	0.5
143.08606	0.8
145.10213	0.7
147.10648	0.5
147.11649	2.9
161.13249	0.9
171.11676	2.0
184.07372	1.8
186.93130	0.4
189.12787	0.7
207.13835	0.5
243.08463	1.8
247.13202	1.4
281.17560	0.5
303.15698	0.8
465.20993	12.9
465.27185	0.8
466.21527	1.3
689.35022	100.0
690.35510	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.3
53.00308	1.9
53.03941	11.7
55.01883	7.8
55.05247	1.8
55.05515	36.2
57.03439	13.1
57.07078	5.8
59.05009	2.5
61.02932	8.6
65.03941	5.4
67.05508	73.5
69.03432	20.8
69.07072	25.5
71.04997	15.2
73.02924	4.2
76.21294	1.6
77.03925	2.2
79.05496	66.9
80.05853	2.5
81.02938	2.7
81.03069	1.6
81.03417	65.7
81.07060	100.0
82.07397	2.2
83.04984	22.7
83.08621	16.8
85.02906	12.8
85.06535	4.6
86.09699	3.1
91.03967	4.1
91.05482	58.4
92.05824	2.0
93.07048	56.6
94.07413	1.9
95.04977	17.9
95.08608	42.5
97.02898	24.2
97.06506	7.0
97.10188	8.6
98.22534	3.5
99.04457	9.0
99.08094	2.7
101.02390	2.3
105.04546	2.8
105.07032	53.3
107.04984	8.1
107.08601	35.6
109.02878	9.7
109.06534	12.2
109.10152	16.5
111.04458	13.1
111.08088	5.5
115.05473	4.2
117.07024	19.7
119.08585	37.5
121.06527	5.1
121.10151	28.9
123.08055	12.5
123.11713	8.2
125.00009	3.0
125.09637	6.3
127.03910	9.6
128.06230	4.5
129.05560	7.8
129.07025	16.4
130.07758	2.1
131.08571	30.6
133.06548	2.5
133.10130	27.6
133.11072	2.4
135.08087	5.4
135.11710	14.1
137.06018	1.6
137.09639	4.7
139.11195	2.3
141.06996	6.8
142.07803	3.8
143.08554	18.3
144.09270	2.3
145.06476	3.3
145.10127	31.6
147.08086	3.9
147.11691	29.2
149.09581	6.9
149.13281	10.6
151.11195	2.7
153.07060	1.6
153.12773	3.5
155.08578	10.5
156.09344	2.9
157.10129	17.9
159.11681	21.2
161.09663	5.3
161.13278	6.6
163.11177	9.5
165.07130	1.6
165.09117	2.2
165.12737	8.6
167.08578	3.6
168.09276	3.1
169.10144	12.1
171.08080	1.8
171.11668	14.2
173.04449	11.7
173.09645	2.7
173.13248	12.8
175.11227	3.1
175.14832	2.3
177.12756	2.6
179.08620	2.2
181.10167	6.8
181.12262	3.0
183.11691	9.3
183.13788	2.6
184.07353	9.0
185.13258	11.8
187.14806	6.0
189.11220	5.5
191.10681	2.4
191.14343	1.7
193.10150	3.5
193.12172	2.3
195.11786	6.5
195.13838	3.9
197.09567	1.9
197.11635	1.6
197.13220	9.7
199.11137	2.5
199.14880	4.4
201.12701	2.0
201.16466	2.2
203.14438	2.5
207.11670	2.8
207.13824	1.6
209.13316	5.0
211.14870	6.0
213.16452	2.3
217.12245	1.7
223.14954	2.7
225.16441	2.2
227.12729	3.2
229.19487	1.7
233.15297	1.7
237.16435	1.8
241.19508	1.5
245.18985	2.3
247.20444	1.7
257.19009	3.7
259.20651	7.7
261.22183	7.2
267.15903	8.2
269.17642	4.9
273.18564	8.1
275.20056	16.6
276.20621	1.7
277.21799	2.1
285.17004	2.9
286.97159	1.4
289.21625	1.9
291.19476	17.9
295.20596	2.0
301.21545	2.6
307.22644	6.2
311.20020	1.9
315.23380	1.8
323.23706	1.8
329.24924	1.5
333.24182	4.6
335.25787	5.7
339.23346	1.9
347.22305	2.0
349.23831	4.5
365.23282	8.3
369.24112	2.3
381.26550	4.3
385.23660	2.1
411.20126	3.3
413.21661	2.9
415.28561	2.0
417.31516	1.8
425.34158	1.9
435.32684	7.2
453.33612	4.9
509.36108	5.5
515.36285	2.3
517.38550	1.9
525.35693	3.4
527.37329	66.5
528.37433	7.0
539.37494	1.8
544.13593	1.5
545.38239	6.6
546.38879	2.1
569.38416	3.8
597.38013	1.8
635.39148	5.6
653.40723	2.7
671.41144	12.6
672.42023	1.9
678.98578	1.7
689.42596	42.4
690.42480	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	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.9
53.03943	10.6
55.01867	7.2
55.05514	39.0
55.28743	2.0
57.03439	15.6
57.07080	5.0
57.09977	1.9
61.02922	9.6
62.79291	2.0
65.03944	4.4
67.05507	98.0
69.03436	28.5
69.07072	27.4
71.04988	8.4
72.62766	2.2
73.02918	7.3
77.03899	2.2
79.05496	82.8
81.03423	52.1
81.07057	100.0
83.04977	19.2
83.08618	16.0
83.46500	2.5
85.02901	15.1
85.06548	7.0
87.47276	2.5
90.03600	2.5
91.03957	4.7
91.05481	74.3
93.07048	74.4
94.07376	2.4
94.25375	2.1
95.04967	26.0
95.08049	4.3
95.08611	54.4
97.02895	22.0
97.06526	9.3
97.10176	7.6
98.23463	4.0
99.04475	7.8
99.08051	3.6
103.03954	2.8
105.04506	3.9
105.07035	64.2
107.04959	11.5
107.08596	47.0
109.02892	9.3
109.06481	13.2
109.10146	16.5
111.04458	4.4
111.08088	4.2
115.02089	2.1
115.05450	5.4
117.07031	32.5
119.08585	40.2
121.06494	8.9
121.10143	26.9
123.04430	7.1
123.08073	6.8
123.11705	8.9
125.09647	2.8
127.03917	10.0
128.06216	11.2
129.05478	6.5
129.07027	24.6
130.05081	2.7
131.08575	38.1
133.06508	6.4
133.10149	30.5
135.08078	10.5
135.11684	16.0
137.09685	3.7
138.33540	2.6
139.11229	2.9
141.07001	8.6
142.07751	4.6
143.08546	26.1
145.06529	4.7
145.10130	32.9
147.08009	3.1
147.11682	26.7
149.09654	7.6
149.13304	12.0
153.07002	3.1
154.07765	4.7
155.08556	17.0
157.06503	4.1
157.10109	20.8
159.11705	26.4
161.09656	4.7
161.13313	11.6
163.11243	6.2
163.14845	2.7
165.12785	8.6
167.08553	6.2
168.09232	2.8
169.10143	18.6
171.08034	2.1
171.11694	24.2
173.04570	2.7
173.05986	2.6
173.09657	5.9
173.13240	12.3
175.11176	5.3
175.14816	5.6
177.12749	6.5
179.08578	3.8
181.10124	8.9
183.11703	14.2
185.09540	4.0
185.13266	12.3
187.11086	4.3
187.14825	5.8
189.12767	3.3
191.10648	2.5
193.10176	2.7
193.12323	5.2
195.11684	6.1
195.13792	6.2
197.09563	3.2
197.13181	12.7
199.14789	9.0
207.11821	3.7
209.13264	6.0
211.14853	5.5
213.16481	2.8
219.11807	2.6
221.13298	3.7
223.14955	3.1
235.13109	4.6
241.19522	6.5
247.14966	2.5
257.19019	3.6
259.13309	2.8
259.20544	11.4
261.22244	5.8
267.15906	8.7
269.17352	12.0
271.20630	4.0
273.14926	6.2
273.18362	2.7
275.20151	4.0
285.17102	3.8
291.19586	3.7
295.20755	2.8
301.14276	5.8
301.21646	5.8
325.21582	2.9
333.24216	8.5
335.25723	13.8
339.23352	2.9
349.21518	3.4
367.22653	7.0
369.24158	4.1
385.23871	3.7
387.25293	3.2
411.20145	3.8
413.21967	5.3
417.31360	3.7
435.32587	8.9
453.33289	3.4
459.27704	2.7
509.36111	5.5
527.37311	81.0
528.37531	13.9
533.31091	2.4
569.38055	5.0
611.38831	6.0
623.39630	4.4
635.39661	13.0
653.40393	10.8
671.41302	18.4
672.41803	3.6
689.42560	27.8
690.42340	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	690.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
54.72062	0.5
55.01855	1.9
55.05517	1.0
57.03439	3.4
59.04977	0.7
59.95761	0.5
61.02931	5.9
67.05489	1.9
69.03432	15.1
69.07055	2.4
69.21152	1.2
69.21559	3.3
71.04977	2.0
73.02930	2.9
79.05471	1.1
79.43581	0.5
80.07389	0.6
81.03423	6.6
81.07071	3.5
83.08602	0.7
85.02908	69.6
86.03242	1.2
87.04470	1.6
91.03970	3.1
91.05482	1.2
93.07047	2.9
95.04971	2.3
95.08609	4.5
97.02286	1.0
97.02895	20.2
97.06548	3.6
98.03208	0.6
99.04457	3.6
105.07038	3.4
107.08600	3.5
109.02885	6.4
109.06525	1.6
109.10163	5.2
115.03911	0.8
117.07019	1.5
119.08575	4.2
121.06524	3.5
121.10141	2.3
123.11709	1.7
127.03918	18.2
129.07045	1.0
131.08562	2.4
133.10161	3.2
135.08051	2.0
135.11716	0.9
143.08559	2.0
145.04956	25.4
145.10115	4.6
147.08044	1.0
147.11690	3.7
149.09511	0.9
149.13240	1.7
151.11180	0.6
155.08545	1.9
157.10141	5.2
159.08073	1.4
159.11696	6.4
159.72179	0.7
161.09615	1.7
161.13289	9.1
163.06049	8.8
163.11180	1.1
163.14786	0.8
165.05566	1.0
169.10191	2.6
171.11664	2.3
173.09625	2.4
173.13271	9.1
175.07507	0.7
175.11217	1.3
175.14903	1.3
177.05482	1.2
183.11693	6.4
185.13232	1.9
187.11179	1.5
187.14859	1.5
191.10614	0.8
197.13274	4.7
198.13727	0.7
199.14842	3.8
201.12791	2.7
203.10619	0.7
207.13690	0.8
211.14839	4.0
213.16324	4.7
214.16925	0.8
215.14349	2.2
215.17944	5.0
219.13680	0.7
224.15706	0.7
229.12302	0.7
229.15930	8.4
229.19456	4.1
230.16104	0.7
239.17950	33.6
240.18343	1.7
241.19524	2.1
257.19006	87.4
258.19345	5.8
267.17514	2.1
275.20001	2.6
278.75809	0.7
285.18494	33.3
286.18890	3.6
303.19540	43.7
304.19934	2.8
321.20486	0.7
325.11505	1.0
331.19028	100.0
332.19427	8.2
349.20099	33.9
350.20544	3.2
419.24078	0.8
447.23752	1.4
465.24939	1.6
475.23349	0.7
492.28363	0.7
493.24582	0.6
511.25336	0.8
628.98230	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	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
53.80260	1.0
55.01872	4.1
55.05515	13.8
57.03442	13.0
61.02911	2.8
65.03944	1.4
67.05505	23.2
69.03438	4.0
69.07069	7.6
70.16822	1.0
71.05002	4.3
73.02933	2.1
75.72528	1.2
76.87562	0.9
79.05495	31.5
79.47298	1.0
80.05854	1.0
81.03423	38.0
81.07061	28.4
83.04984	12.2
83.08627	18.0
85.02912	17.9
85.06550	1.5
91.05492	21.9
91.05979	0.9
93.07047	37.1
95.04976	20.1
95.08611	33.4
97.02883	6.2
97.06541	4.6
97.10169	2.6
99.04481	4.4
105.07028	17.0
107.04964	9.7
107.08603	24.8
108.08960	1.7
109.06526	4.6
109.10181	3.5
111.04453	2.7
111.08084	7.2
113.06012	2.1
115.68797	1.0
116.35429	1.0
117.07002	7.8
119.08582	21.8
121.06492	5.7
121.10141	15.6
123.08095	2.3
125.06003	3.1
129.07030	7.4
130.07808	1.3
131.08572	6.9
132.50638	1.3
133.10150	10.0
135.08080	2.7
135.11693	39.3
135.12689	2.2
136.12030	1.7
142.07826	2.1
145.10127	25.2
146.10510	1.8
147.08105	2.6
147.11674	8.3
149.09607	3.2
157.10126	6.4
163.11194	54.9
164.11623	2.0
165.12779	2.8
175.11166	9.2
175.12306	0.9
176.11659	1.0
181.12224	8.9
182.12578	1.0
189.12860	1.4
193.12251	26.6
209.11729	2.1
211.11261	1.7
211.13298	36.0
212.13696	2.1
227.12790	66.1
228.13129	3.3
243.85600	1.1
267.15921	30.6
267.18787	1.6
268.16257	2.6
283.15414	58.0
284.15787	4.7
285.16971	54.0
286.17358	4.2
330.51434	1.3
384.90869	1.1
417.59323	1.2
452.87201	1.3
475.26929	30.6
476.27319	3.6
493.27979	100.0
494.28281	12.3
659.11896	1.1
690.31256	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	690.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01868	6.3
55.05515	15.6
57.03435	11.2
57.33595	1.5
59.04990	3.3
61.02933	3.3
67.05511	19.4
69.03442	3.9
69.07058	4.5
71.04991	4.2
73.02918	1.4
79.05501	24.5
81.03425	45.4
81.07065	28.4
82.29366	1.6
83.01350	5.1
83.04993	19.8
83.08627	18.8
85.02918	20.9
85.06547	1.9
89.03931	1.9
91.05489	24.1
93.07050	25.2
93.77514	1.4
95.04979	18.7
95.08626	11.3
97.02879	4.2
97.06532	5.2
97.10207	2.4
99.04479	1.9
105.07036	18.1
107.04947	9.8
107.08604	13.3
109.06526	5.6
109.10178	2.8
111.04443	3.6
111.08078	6.6
113.06010	1.6
117.03381	4.7
117.07050	6.6
119.08587	15.6
121.06503	3.7
121.10154	11.0
123.08079	6.7
125.09625	1.9
128.06189	1.5
129.07021	8.6
130.07759	1.7
131.08603	7.9
133.10136	7.1
135.08064	1.5
135.11737	8.1
142.07784	2.8
145.02823	8.5
145.10123	11.3
145.83484	1.5
147.08005	2.6
147.11723	8.4
149.09630	4.7
157.10159	8.3
163.11198	15.2
165.12772	2.5
173.09618	3.3
175.11179	6.5
177.05482	12.4
181.12328	2.6
193.12265	29.1
209.11717	4.4
211.13312	44.7
212.13538	2.4
227.12801	4.4
229.64388	2.4
245.07281	1.7
265.14175	1.7
267.15881	9.7
283.15411	57.3
284.15866	3.3
285.16977	32.5
286.17535	2.2
383.22159	2.7
457.25824	2.6
475.26929	15.7
493.28027	100.0
494.28339	9.7
502.74985	1.5
586.29297	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	690.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56779	0.2
55.05527	0.2
56.05035	0.7
58.06602	0.3
60.08167	6.1
67.05505	0.7
71.07374	4.3
79.05473	0.4
81.03415	0.2
81.07060	0.8
83.08611	0.3
86.09707	31.7
87.10025	0.7
91.05473	0.4
93.07036	0.4
95.08638	0.4
96.74127	0.2
97.10188	0.3
98.98473	3.6
104.10748	2.4
105.06996	0.2
107.08616	0.3
109.10186	0.2
119.08591	0.3
125.00005	22.5
131.08601	0.2
139.43845	0.2
143.00984	0.3
184.07344	100.0
185.07692	1.8
461.21619	0.2
490.54395	0.2
496.33301	0.2
575.50018	0.3
609.45410	0.2
690.47052	4.7
691.46954	0.6
692.22968	0.2
703.32672	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	690.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01881	3.3
55.05513	11.4
57.03443	18.2
57.07079	28.8
61.02929	2.9
61.25056	1.4
61.53289	1.6
65.03931	1.9
67.05511	36.2
69.07076	17.7
69.26331	4.8
69.26733	2.8
71.01347	2.3
71.04995	3.0
71.08637	17.4
79.05497	28.7
81.03423	4.4
81.07069	25.9
83.04980	8.1
83.08627	11.2
85.02918	4.5
85.06544	2.1
85.10175	10.4
86.09740	6.8
91.03991	1.8
91.05486	13.7
93.07054	32.5
94.87766	1.3
95.04974	2.7
95.08613	23.6
97.02892	3.2
97.06506	8.1
97.10169	11.9
97.47532	1.5
98.23291	3.2
98.98434	2.1
103.07584	1.8
105.07027	3.3
107.04936	1.6
107.08595	23.4
109.10168	10.1
111.11704	2.0
117.07031	4.2
119.08583	4.3
121.06519	1.4
121.10186	6.9
123.11728	4.6
124.88795	1.5
125.00018	5.1
133.10138	3.1
135.11693	40.0
136.12067	1.6
138.35370	1.6
145.10129	8.5
145.65485	1.3
153.12749	3.7
163.11195	4.6
179.27876	1.3
181.12267	10.4
184.07346	19.4
199.13333	2.2
235.47343	1.4
239.23853	1.5
255.15926	100.0
256.16330	7.0
259.58533	1.6
313.27377	50.8
313.31000	2.8
314.27838	4.4
392.14038	1.5
493.38898	71.2
494.39227	10.2
543.71954	1.4
575.50073	1.9
623.02252	1.6
690.49670	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	690.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68370	0.9
55.05513	14.1
57.03440	11.2
57.07080	5.7
59.05003	1.9
61.02928	3.3
65.03951	0.9
67.05505	63.0
68.05813	1.0
69.03433	1.4
69.07072	15.8
71.05003	2.9
71.08636	2.7
77.42068	0.9
79.05495	4.1
81.07059	16.4
83.04990	0.9
83.08625	14.8
85.02911	2.0
85.06561	2.5
85.10214	1.0
91.03955	1.1
91.05478	4.5
93.07041	6.2
95.08604	12.8
97.02899	1.3
97.06567	1.7
97.10188	5.2
99.08125	0.8
107.08607	4.1
109.10157	55.4
110.10509	2.0
111.08099	3.5
111.11686	1.9
119.08597	4.7
121.10140	6.4
123.11724	1.8
125.09700	1.1
135.11699	2.8
137.09604	1.5
149.13242	1.8
153.12711	0.9
155.10724	4.3
169.81770	0.9
173.11755	18.0
174.12025	1.0
184.07307	2.0
214.35396	0.8
229.14352	100.0
230.14687	4.7
247.24297	0.9
339.28928	77.1
340.29205	6.9
415.98422	1.0
449.95111	0.9
457.63379	0.9
493.38861	53.8
494.39255	7.3
516.56763	1.1
575.49908	3.2
600.66394	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	691.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.1
51.02385	0.1
53.03942	0.1
55.01870	0.1
62.01595	0.2
63.02359	0.7
67.05485	0.1
77.03931	0.1
78.04702	0.7
79.05474	0.1
81.03410	0.3
81.07061	0.1
85.02898	0.1
86.72495	0.1
89.03915	10.3
90.04243	0.3
91.05479	0.5
93.07038	0.2
95.04961	0.2
97.60434	0.1
98.22575	0.3
98.50471	0.1
103.05489	0.4
103.91106	0.1
104.97600	0.1
106.04152	0.7
109.02867	1.0
112.30328	0.1
117.03376	26.0
118.03719	0.8
119.04916	0.1
121.06490	0.2
121.34030	0.1
123.42817	0.1
124.05159	0.2
127.03905	0.2
129.04518	0.1
134.03633	1.9
135.04431	1.5
145.02841	54.4
146.03177	1.6
149.05977	8.3
149.07227	0.2
150.06352	0.2
158.06006	0.1
162.03107	0.2
163.03891	0.5
177.05461	100.0
178.05804	3.7
186.05511	1.0
303.08664	0.8
350.22684	0.1
402.44540	0.1
495.29013	0.1
596.86285	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	691.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01878	1.6
55.05519	5.0
57.03439	3.1
57.07068	0.5
59.05000	0.6
61.02925	3.9
65.03952	0.9
67.05508	16.8
67.34649	0.4
67.80944	0.5
68.75650	0.4
69.03426	2.9
69.07066	4.1
71.01328	0.5
71.04994	3.0
73.02931	2.7
79.05499	12.1
81.03435	3.0
81.07063	18.8
82.07399	0.7
83.04987	3.1
83.08628	3.8
85.02903	3.7
85.06546	0.8
86.09721	1.3
87.04486	0.6
91.03976	2.1
91.05486	9.2
91.06004	0.6
93.07054	13.3
95.04966	3.1
95.08616	7.4
97.02890	3.5
97.06544	2.6
97.10177	1.6
98.22622	1.7
99.04480	1.0
101.02385	1.0
102.90405	0.5
105.07043	5.2
106.07375	0.5
107.04994	1.8
107.08597	7.4
109.02898	0.6
109.06531	2.3
109.10157	3.2
111.04470	1.7
111.08096	1.2
117.07043	2.6
117.07757	0.4
119.08601	4.0
121.06533	1.8
121.10143	3.4
123.08112	1.3
123.11724	1.5
125.00042	1.0
125.06010	0.5
125.09672	1.1
127.03957	0.8
128.06281	0.4
129.05499	0.8
129.07010	1.1
131.08575	3.4
133.10138	4.1
135.08060	1.0
135.11702	5.6
137.09642	0.9
142.07729	0.5
143.08580	0.9
145.10139	3.2
147.08061	1.1
147.11649	2.2
149.02385	1.1
149.09642	1.0
149.13310	1.5
151.11203	0.7
157.10176	0.7
159.11711	1.7
161.06125	0.5
163.11211	6.7
171.10358	0.5
171.11658	1.1
177.12772	0.6
181.12283	1.1
184.07396	2.8
187.13365	0.6
189.11230	0.5
193.12285	0.7
195.13901	1.6
211.13213	0.6
219.09996	0.5
227.12793	4.2
229.14482	1.4
243.08424	3.0
247.13124	0.7
249.10988	6.6
265.14301	0.4
267.15988	1.6
269.17520	6.2
273.18497	1.6
275.20117	0.6
283.15472	1.5
285.17090	0.6
291.19501	3.2
301.16678	1.0
301.20026	1.0
305.13660	2.1
353.55341	0.5
365.23120	0.7
392.93274	0.5
423.27469	1.2
437.29071	5.6
451.30679	0.8
463.30673	4.8
465.20926	8.0
466.21619	0.6
467.19012	11.6
468.19244	1.2
474.14908	0.9
477.28534	2.6
494.31348	0.4
495.33963	6.0
513.30756	0.9
673.42505	0.7
691.32941	100.0
692.33264	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01879	0.6
55.05518	2.0
57.03442	2.6
61.02933	7.8
61.03231	0.8
67.05509	10.8
69.03433	4.5
69.07083	1.3
71.01374	0.8
71.05003	1.0
73.02926	6.6
79.05492	4.1
81.03417	2.9
81.07070	5.2
83.08632	0.9
85.02917	7.9
86.09673	0.5
87.04468	0.5
91.03965	5.1
91.05472	2.5
93.07040	5.0
95.08634	4.2
97.02896	6.5
99.04497	1.1
99.50729	0.4
101.02397	2.0
105.07069	1.5
107.08608	2.1
109.02921	0.9
109.10159	6.5
110.59763	0.4
117.07035	0.7
119.08610	1.7
121.10175	1.9
123.11745	0.5
124.99941	0.4
127.03966	1.7
131.08548	0.8
133.10159	0.6
135.11729	1.2
145.04971	0.7
145.10175	0.5
149.13365	0.7
155.10735	0.6
173.11769	1.5
184.07410	0.8
185.04295	0.8
187.96065	0.4
191.51729	0.5
195.10017	1.0
229.14337	0.6
238.55573	0.4
243.08437	2.2
281.18011	0.4
341.32074	0.5
400.68100	0.4
413.17874	6.0
482.35532	0.4
519.29364	10.3
520.29993	0.8
691.40283	100.0
692.28558	0.8
692.40637	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	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05513	1.6
57.02090	0.3
57.03434	2.5
59.05002	0.4
61.02929	5.9
67.05513	10.0
69.03435	3.7
69.07064	0.7
69.45361	0.4
71.05006	0.9
73.02924	4.4
79.05501	2.6
81.03434	1.6
81.07068	3.6
83.08639	0.8
85.02904	4.8
87.04491	0.7
91.03955	3.7
91.05500	1.4
93.07043	2.7
95.08624	2.8
97.02902	5.1
98.23444	0.8
99.04484	1.1
101.02419	2.4
101.02993	0.5
103.03961	0.4
105.07060	0.6
105.58440	0.3
107.08612	1.2
109.02907	1.0
109.10165	8.9
110.10532	0.4
111.08069	0.5
119.08600	0.9
121.10165	1.3
124.22285	0.4
127.03960	1.5
129.71822	0.4
131.08589	0.6
133.23657	0.4
135.11699	0.6
147.11763	0.4
173.11807	1.5
183.06580	0.4
195.09952	0.4
229.14371	1.0
229.42831	0.3
229.45235	0.7
243.08322	2.4
335.25745	0.5
372.53427	0.4
413.17807	11.1
414.18195	0.9
519.29504	4.9
520.29700	0.5
691.40308	100.0
692.40656	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.5
52.27293	0.9
52.37292	1.1
53.03953	9.2
55.01878	5.9
55.05513	29.9
57.03442	15.2
57.07070	3.6
57.19682	0.9
57.53135	1.1
58.03782	0.9
59.05003	1.0
60.48700	0.9
61.02941	1.6
65.03937	4.2
67.05510	89.3
68.05832	2.0
69.03432	23.3
69.07075	22.6
71.01359	2.7
71.04990	7.2
73.02914	3.4
79.05499	60.6
80.05829	1.2
81.03426	46.0
81.07063	100.0
82.07369	2.1
83.04988	27.6
83.08626	15.7
85.02921	7.4
85.06091	1.1
85.06542	5.3
86.09721	1.9
87.04484	1.1
91.05485	47.2
92.05806	1.1
93.07052	66.5
94.07384	2.2
95.04971	12.9
95.08614	51.6
96.08929	1.4
97.02903	13.2
97.06525	9.6
97.10162	5.4
98.23394	1.9
98.98469	1.6
99.04451	6.3
99.08096	2.3
103.03950	2.0
103.05514	1.3
105.04509	1.3
105.07040	36.5
106.07381	1.7
107.04984	5.3
107.08600	35.6
108.08913	1.1
109.02883	8.2
109.06516	7.3
109.10165	18.8
111.04455	6.7
111.08092	7.2
113.05959	1.6
113.66171	0.9
115.05445	2.3
116.06203	1.3
117.07024	17.7
119.04975	1.3
119.08583	29.0
121.06527	6.3
121.10155	26.8
121.11018	1.5
123.04436	2.4
123.08065	3.9
123.11712	9.3
124.99991	1.2
125.06081	1.2
125.09608	2.5
127.03933	6.8
127.07554	1.4
129.05510	11.8
129.07005	9.5
131.08580	23.3
133.06436	2.3
133.10146	20.6
134.10497	1.3
135.04343	1.2
135.08063	3.9
135.11702	14.3
137.05991	1.3
137.09618	2.5
137.13258	1.8
139.11185	2.5
141.07018	3.1
142.07813	1.7
143.08577	8.3
145.06523	2.4
145.10123	15.9
147.08025	2.7
147.11697	17.2
149.09637	5.2
149.13274	15.9
150.13560	1.1
151.11226	3.4
155.08542	3.5
156.09315	1.5
157.06511	1.9
157.10120	5.6
159.08104	2.5
159.11705	17.4
161.09619	2.3
161.13307	6.4
163.11241	2.3
163.14828	1.8
165.12753	5.8
167.08531	1.8
169.10147	3.5
171.08017	1.2
171.11716	5.2
173.04330	1.2
173.09692	1.3
173.11955	1.4
173.13240	6.7
175.11259	2.3
175.14830	2.6
177.12761	4.2
177.16505	1.0
179.14301	1.4
181.10123	2.2
183.11710	4.0
184.07346	6.7
185.09641	1.7
185.13319	3.5
187.11186	2.7
187.14868	3.5
189.12646	1.3
191.10687	1.6
193.12306	1.5
195.11852	2.2
195.13829	6.3
197.09756	1.0
197.13246	2.0
199.11162	1.4
199.14836	2.7
201.12791	2.4
201.16454	1.2
207.11681	1.2
207.13751	1.0
209.13329	1.4
211.14877	1.6
213.12785	2.1
213.14742	1.8
213.16597	1.0
215.14317	1.1
219.13786	1.3
221.13336	1.4
221.15404	1.0
223.14874	1.4
229.06992	1.1
229.14246	1.8
237.16640	1.1
241.19662	1.2
243.21046	1.1
245.22681	1.1
253.14351	4.3
259.20712	2.0
261.22205	5.0
263.23578	1.7
267.15897	6.5
269.17459	19.7
273.18454	1.1
275.16602	1.1
275.20071	2.2
277.21664	1.5
283.20483	1.3
291.19711	2.2
291.23163	1.3
301.21628	1.8
303.15842	1.5
303.23196	1.6
311.25778	1.7
313.21756	1.3
317.24750	1.6
319.22775	1.5
323.23666	1.2
327.23239	1.7
335.25797	20.2
336.26157	2.8
337.27399	3.4
339.18143	4.3
339.23077	1.0
341.24490	1.0
346.51596	0.9
349.23828	1.9
351.23053	2.5
365.23373	1.6
369.24246	4.6
387.25345	3.3
403.75479	1.1
405.26166	2.3
413.21695	5.6
443.27701	2.6
455.35504	1.2
461.28799	1.7
479.30093	2.3
503.37109	1.4
529.39050	28.1
530.39355	5.7
547.39813	1.5
613.40546	1.2
637.40643	1.8
639.42004	1.2
655.41571	1.9
673.42920	9.0
674.43542	2.1
691.44385	9.9
692.43793	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	691.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.0
53.03947	10.2
53.05052	1.3
55.01876	7.4
55.05514	31.9
57.03435	13.6
57.07076	3.9
62.44837	1.4
64.96303	1.2
65.03944	3.9
67.05508	86.2
68.05817	2.1
69.03431	25.4
69.07069	27.9
71.01361	1.9
71.04997	8.8
71.08630	2.1
71.27438	1.7
73.02911	3.1
79.05495	61.7
80.05838	2.0
81.03422	38.8
81.07060	100.0
82.07394	3.2
83.04984	32.4
83.08626	14.6
85.02890	6.9
85.06544	5.5
86.09705	2.3
90.95258	1.3
91.05486	46.3
93.07048	64.7
95.04980	15.4
95.08611	50.9
95.09529	1.5
96.08929	1.6
97.02892	11.7
97.06548	10.3
97.10172	5.2
98.98495	2.5
99.04462	5.7
99.08108	3.3
105.04543	1.5
105.07037	35.3
107.04962	6.0
107.08596	32.7
109.02895	6.8
109.06503	7.5
109.10162	19.5
111.04466	6.7
111.08068	6.0
115.05466	2.2
117.07013	15.0
119.04895	1.4
119.08599	22.7
121.06483	4.9
121.10151	26.5
123.04482	1.5
123.08079	4.1
123.11714	8.8
125.00015	2.3
125.09676	2.1
127.03941	6.9
128.06215	1.9
129.05475	11.8
129.07007	7.9
131.04990	1.7
131.08575	28.8
133.06517	3.6
133.10136	20.1
135.08075	4.2
135.11696	15.5
137.13260	1.7
141.07013	2.2
142.07733	1.7
143.08571	7.0
145.06502	1.7
145.10120	12.8
147.08047	4.5
147.11696	17.3
149.09612	3.1
149.13268	18.5
151.11142	1.5
155.08574	3.8
157.10164	7.2
159.08051	1.8
159.11693	14.5
161.09659	2.7
161.13318	5.6
163.11182	3.8
163.14864	2.8
165.07040	1.4
165.12788	5.0
167.08553	2.1
169.10175	4.2
171.11719	5.2
173.09709	2.0
173.13272	6.6
175.11256	1.7
175.14816	2.8
177.12810	5.9
177.16487	1.4
181.10124	1.8
183.11755	2.3
184.07375	9.6
185.13251	3.3
187.14883	2.3
189.12764	1.5
193.12346	2.0
195.11940	1.5
195.13786	6.4
197.13260	2.5
199.11139	1.5
199.14764	1.3
207.11754	1.4
209.13416	1.7
211.14769	1.4
213.12981	1.7
215.14232	1.5
227.12837	1.9
233.15392	1.6
246.68526	1.3
259.20624	3.1
261.22189	5.9
263.23657	1.3
267.15945	5.4
269.17499	17.5
273.18729	1.4
275.20050	3.4
301.21732	3.3
311.25757	1.7
321.16940	1.9
335.25879	24.9
336.26157	2.6
337.27347	1.6
339.18073	4.6
369.24200	4.4
387.25253	2.3
395.20563	2.0
405.26199	1.5
413.21674	5.1
461.28683	1.5
479.29984	2.1
503.37244	1.5
519.36865	2.3
520.37280	1.5
529.38904	33.5
530.39252	5.3
547.40063	1.8
566.19592	1.5
637.41022	2.9
655.41492	2.7
673.43457	7.3
691.43909	10.3
692.43579	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	692.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
61.83340	0.7
62.83025	0.7
69.03424	1.1
69.25678	4.0
78.71581	0.7
79.05503	1.3
81.03426	1.4
81.07069	1.1
85.02927	2.3
91.05486	2.3
95.04982	1.9
97.02886	1.4
98.23432	0.9
103.05495	3.2
105.07042	9.1
107.04989	1.8
107.08615	1.3
109.06546	0.9
115.05460	3.0
121.10162	0.8
122.03689	0.8
127.03995	1.3
131.04948	3.1
131.08621	1.0
133.06496	5.2
135.08098	1.1
137.05972	9.6
141.06969	1.1
143.05034	1.1
145.05057	0.8
146.03606	5.6
149.05939	1.3
151.07582	1.7
153.01826	4.2
157.06480	1.2
157.10110	1.0
160.05252	1.2
161.05989	58.6
162.06371	2.1
163.07567	5.1
165.06978	1.0
169.06480	1.8
175.07549	24.9
175.08949	1.4
177.05458	1.3
178.07800	0.9
179.08554	1.8
181.06584	1.2
186.06792	1.2
189.09096	2.0
190.07784	1.5
193.12248	1.1
194.07304	2.4
195.08081	1.2
201.09117	2.3
203.08623	0.9
205.06540	3.9
205.10126	2.8
207.08142	3.1
209.09602	1.5
210.14868	1.6
218.07346	1.4
219.08105	1.0
219.10155	9.3
221.06017	2.9
222.06723	3.1
222.10416	0.9
223.07614	1.7
224.08351	2.8
225.09085	1.1
229.49478	0.8
232.08899	1.6
233.09630	6.6
234.06795	2.2
234.10316	2.4
235.07498	4.2
236.08311	1.4
237.05499	2.5
237.09079	6.7
239.10632	1.7
243.07994	1.0
247.07585	1.4
249.05493	1.1
249.09286	2.2
250.06224	6.4
250.09880	4.5
251.06984	2.2
252.07860	3.4
253.08597	2.3
260.08426	1.0
261.09125	8.2
262.09891	1.4
263.07117	2.8
264.07748	4.5
265.08621	26.1
265.12207	3.6
266.09021	1.9
267.10153	4.7
269.08051	1.8
277.08694	1.3
278.09427	7.1
279.10220	1.7
281.08270	1.3
283.13367	1.9
284.10480	1.5
293.11743	14.2
294.12201	1.8
295.09647	1.0
297.11218	4.7
299.12735	4.3
310.12119	1.1
311.12772	69.4
312.13083	5.4
325.14340	3.6
343.15414	100.0
344.15753	8.1
351.08496	2.9
467.17380	0.8
494.31119	5.0
584.56873	0.9
656.36768	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	692.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
55.01874	0.3
55.05503	0.2
61.02925	0.2
66.76207	0.2
69.03426	0.6
69.87251	0.2
71.30288	0.2
79.01846	3.0
81.03410	0.4
81.07062	0.5
83.32587	0.2
85.02896	2.2
87.00829	0.2
91.05483	0.8
93.07047	0.3
94.04189	0.3
95.08611	0.7
97.02905	1.1
100.11245	0.4
103.05470	3.9
105.07018	0.6
107.01311	0.6
107.04923	0.5
107.08598	0.4
109.02904	0.3
109.10182	0.3
115.05457	0.4
117.07012	0.6
119.04967	0.4
119.08577	0.4
121.06491	0.7
122.03644	0.7
125.02340	2.1
126.79551	0.2
127.03942	0.6
128.05394	0.2
128.06213	1.4
129.07016	0.7
131.04924	7.0
132.05249	0.3
135.07990	0.2
137.05975	8.1
139.03874	0.3
143.03398	5.2
143.08568	2.2
145.04965	0.4
145.10146	0.2
147.08063	0.3
147.11703	0.3
151.03902	0.5
151.07526	1.6
153.01826	100.0
153.02852	4.9
154.02144	2.5
155.87257	0.2
157.06476	0.7
157.10103	0.3
159.11702	0.5
160.05225	0.2
161.05969	0.5
161.09593	0.3
163.07535	17.8
164.07889	0.7
165.07028	0.3
165.09169	0.5
167.07100	0.2
167.08536	0.2
171.08054	2.8
172.08377	0.4
174.06766	0.3
175.07547	4.1
177.09109	3.2
187.14793	0.2
189.09119	1.6
193.06467	0.3
193.10107	0.3
195.10194	0.2
201.16365	0.5
203.10664	2.2
210.06833	0.4
213.16380	0.3
216.51308	0.2
219.10118	0.3
221.05933	0.6
221.09560	0.7
221.11702	0.5
231.13812	0.2
233.09708	0.3
241.19507	3.8
242.19791	0.2
243.20976	0.9
249.08997	0.4
253.08810	0.4
253.12206	1.3
259.20599	1.1
267.10120	0.7
269.08249	0.2
269.18985	0.7
281.11688	0.5
285.11194	0.9
287.20041	6.8
288.20389	0.4
301.07040	0.3
313.14316	2.9
315.19525	5.7
316.19858	0.5
329.10107	0.3
331.15314	0.7
333.20648	1.9
341.10187	0.2
359.11188	1.7
373.12796	5.8
374.12866	0.4
483.16513	12.6
484.16739	1.7
652.71533	0.2
691.49921	0.4
702.49231	0.4
724.87018	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	692.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94234	0.5
53.03941	1.0
55.05504	1.0
55.23432	0.5
57.03432	1.1
58.90662	0.5
61.02914	2.2
62.95947	0.4
65.03947	0.7
65.67219	0.6
67.05497	1.4
67.50381	0.5
68.76621	0.5
69.03430	3.9
69.07060	2.3
70.90586	0.9
70.90937	0.6
73.02922	1.0
79.05508	0.9
81.03412	2.6
81.07055	5.1
83.04978	1.0
83.08613	0.7
85.02908	26.7
91.03951	0.6
91.05482	1.7
93.07060	4.1
93.72301	0.6
95.08607	7.0
97.02896	8.5
99.04452	1.4
103.05415	0.6
105.07025	6.8
106.07352	0.7
107.08573	3.9
107.91560	0.6
109.02882	2.2
109.10162	3.8
119.08581	4.4
120.31093	0.5
121.06501	1.3
121.10142	2.3
123.11699	0.6
127.03916	6.1
131.04941	0.9
131.08583	2.9
133.10138	1.8
135.11665	1.1
137.05928	1.0
137.09645	0.6
143.08574	2.1
145.04959	8.3
145.10094	3.7
147.11679	5.6
149.05930	0.5
149.13257	2.6
151.03799	0.6
153.01852	1.7
157.10118	4.2
159.11685	6.8
161.13295	2.5
163.06032	2.6
163.07451	1.0
165.09125	1.4
171.11714	1.8
173.13289	2.0
175.11247	0.6
177.05519	0.7
178.71094	0.6
181.04971	0.9
182.26805	0.5
185.13281	3.5
187.11246	1.2
187.14803	2.0
193.12238	1.6
199.14862	3.9
201.16418	5.2
205.12245	2.2
213.16380	6.3
217.12213	1.3
219.10289	0.8
219.13814	1.5
227.17831	0.6
231.13760	3.2
241.19502	57.9
242.19853	5.0
243.21057	13.8
244.21521	0.9
259.20584	15.9
260.20889	1.0
269.18988	8.1
287.20053	100.0
288.20367	7.6
315.19550	82.0
316.19843	5.9
333.20587	29.6
334.20959	2.0
431.24170	1.3
431.81567	0.6
459.23260	0.8
477.24774	0.8
618.75177	0.6
692.22180	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66553	1.2
53.03959	4.9
55.01885	3.6
55.05514	21.0
57.03439	17.9
58.11467	1.1
61.02935	5.9
65.03950	3.1
67.05511	31.8
67.05880	1.6
69.03436	5.9
69.07072	10.4
71.05000	6.7
73.02911	1.7
79.05497	33.5
81.03424	96.0
81.07061	40.7
83.04989	20.2
83.08623	30.2
85.02909	39.3
85.06539	2.1
89.03955	1.2
91.05486	43.3
92.05792	1.7
93.07047	24.3
93.31015	1.4
95.04980	39.6
95.08607	13.5
97.02888	6.5
97.06520	6.2
97.10162	6.5
98.22633	3.1
98.24751	1.1
99.08101	2.7
103.45905	1.4
105.07043	31.5
107.04955	10.5
107.08590	10.4
109.06537	6.6
109.10181	4.0
111.04449	3.2
111.08091	16.7
113.06033	4.8
117.03345	1.6
117.07040	2.1
119.04959	2.1
119.08584	26.5
121.06519	5.1
121.10139	14.2
123.08090	4.6
123.11771	1.6
125.09677	3.1
129.07025	16.7
131.08592	15.0
133.06503	5.5
133.10132	17.0
137.05977	2.9
137.09610	1.8
142.07814	3.6
145.02855	5.8
145.10141	1.9
147.04427	3.1
147.08072	4.8
147.11693	20.9
148.11986	1.6
149.09645	9.6
155.08408	1.2
155.58270	1.2
157.10143	22.6
163.11142	1.9
165.12746	4.2
175.11201	20.2
177.05460	10.1
184.07286	1.5
193.12250	65.2
194.12668	2.4
201.05504	2.8
211.13304	100.0
212.13570	6.2
267.15912	37.9
267.18832	2.0
268.16309	2.9
285.16980	91.2
286.17252	5.3
305.08234	2.1
337.10727	3.4
344.73718	1.3
367.22714	3.5
385.23727	5.1
459.27505	21.2
460.27536	2.8
477.28506	25.2
478.28955	4.3
495.29535	73.0
496.29797	10.2
693.23163	1.3
693.37781	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.5
53.03936	3.9
55.01867	7.2
55.05510	34.4
57.03429	20.0
59.05000	3.9
59.85025	1.5
61.02920	7.0
65.03946	4.3
67.05506	100.0
68.05802	1.5
69.03424	6.3
69.07073	21.7
71.01357	1.4
71.04996	9.2
73.02918	6.4
79.05495	43.8
80.05834	2.0
81.03422	14.1
81.07057	84.1
83.05000	11.0
83.08623	22.8
85.02908	17.8
85.06543	5.8
87.04469	4.2
89.11739	1.5
91.03955	4.0
91.05484	31.4
93.07047	50.7
95.04949	8.6
95.08606	21.4
97.02879	7.1
97.06536	10.7
97.10176	14.7
99.04460	2.7
99.08079	1.8
105.07029	11.0
107.04936	5.4
107.08595	30.7
109.06537	5.8
109.10162	46.1
110.10518	1.6
111.04453	1.5
111.08090	8.6
117.06999	8.9
119.08595	10.2
121.06461	2.3
121.10110	11.3
123.08099	3.3
123.11690	4.6
125.09638	16.0
125.16553	1.5
129.05481	5.3
129.06976	2.0
131.08546	7.6
133.10130	11.4
135.08058	4.2
135.11690	10.0
137.09636	4.5
143.10693	2.3
145.10110	3.2
147.08025	1.9
147.11690	3.2
149.13263	13.2
151.11140	2.7
153.12769	3.8
155.10649	5.7
159.11681	8.0
163.11192	7.6
165.12752	1.8
173.11731	11.8
175.11188	2.0
177.12784	5.1
181.12207	4.0
185.11754	2.3
191.10660	2.4
193.12309	2.3
195.13809	19.8
199.13301	6.6
209.11684	4.8
211.13301	3.4
213.14908	3.1
227.12831	9.3
229.14348	46.2
230.14664	2.0
253.57658	1.5
257.13876	2.7
265.14569	1.6
267.15851	9.0
269.17487	70.8
270.17798	5.9
275.20193	2.1
283.15363	5.1
297.17072	1.8
301.16443	16.3
323.33658	1.3
393.26184	2.0
411.27426	5.7
423.27396	37.2
424.27747	4.4
437.28891	2.9
463.30331	2.4
495.29361	56.7
496.29623	9.1
513.30554	25.5
514.31055	2.3
693.32330	22.0
722.92249	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.97493	1.3
55.01884	8.5
55.05516	34.8
57.03435	19.7
57.07071	3.9
59.05000	4.0
61.02927	7.2
65.03951	2.1
67.05507	100.0
69.03415	3.2
69.07077	18.7
69.35505	1.3
71.01376	2.5
71.05016	7.4
73.02911	5.0
75.21268	1.2
76.16991	1.3
76.30552	1.6
79.05499	45.0
81.03416	14.6
81.07061	73.2
83.04991	10.1
83.08616	21.0
85.02911	15.9
85.06549	4.9
87.04467	5.3
91.03949	1.9
91.05483	23.6
93.07055	43.7
95.04975	7.1
95.08614	22.2
97.02898	7.3
97.06532	11.4
97.10172	16.3
98.22614	4.7
105.04542	2.3
105.07029	12.8
107.04963	4.6
107.08598	27.9
109.06559	4.0
109.10162	54.5
110.10539	2.3
111.04452	2.5
111.08087	5.8
112.86217	1.5
117.07040	8.0
119.08589	10.3
119.49826	1.5
121.06516	1.8
121.10143	8.8
123.08096	3.0
123.11707	2.3
125.09636	11.3
129.05513	5.2
129.06978	2.4
131.08539	7.2
133.10109	11.7
133.95706	1.4
135.08069	2.1
135.11647	9.5
143.10699	2.7
145.05025	1.8
145.10120	4.2
147.11690	5.0
149.13295	11.4
151.11185	1.9
153.12755	4.7
155.10689	5.1
157.10155	1.7
159.11703	5.4
163.11160	8.0
164.44624	1.8
165.12817	3.4
173.11783	12.8
177.12764	5.0
181.12187	3.4
186.85486	1.5
191.10690	3.6
193.12219	3.4
195.13771	14.3
199.13245	7.4
205.59406	1.4
209.11728	7.6
211.13220	3.2
213.14932	2.1
221.66156	1.7
227.12724	8.2
229.14359	51.2
230.14734	2.8
239.16534	4.1
267.15787	9.3
269.17468	56.8
270.17834	4.4
283.15289	4.6
297.17059	2.2
301.16415	16.6
411.27374	5.6
420.75006	1.9
420.96771	1.5
423.27417	31.6
424.27600	3.0
431.27365	3.0
477.28140	2.1
493.73206	1.6
495.29443	48.0
496.30045	7.4
513.30664	24.2
514.31525	2.1
693.32062	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	692.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01719	1.1
53.03957	4.3
55.01883	4.1
55.05519	17.6
57.03442	15.4
61.02927	3.9
65.03941	2.2
67.05514	29.0
68.05846	1.0
69.03438	6.0
69.07069	8.3
71.05002	6.4
73.02915	1.4
79.05500	31.9
81.03426	83.3
81.07065	31.7
82.03757	1.3
83.04987	18.1
83.08625	30.7
85.02915	33.4
85.06568	2.7
87.04468	1.1
91.03975	1.2
91.05488	37.5
91.81322	0.9
92.05818	1.3
93.07052	23.9
95.04978	34.1
95.08614	12.2
96.08945	1.4
97.02884	4.7
97.06547	5.4
97.10159	4.8
99.08078	2.3
101.12008	0.9
105.07035	28.0
107.04965	9.8
107.08611	9.4
109.06512	7.2
109.10169	4.0
111.04427	4.8
111.08084	14.8
113.06036	3.5
113.75268	1.0
115.05465	2.3
117.07052	2.9
119.04951	1.3
119.08590	24.2
120.08900	1.5
121.06525	2.8
121.10145	12.5
123.08089	4.4
123.11701	3.6
125.09651	1.5
129.07010	15.2
131.08568	15.3
133.06519	4.3
133.10152	14.9
134.10442	1.3
135.08054	1.3
135.11679	2.5
137.09627	2.7
142.07791	2.8
145.10162	4.4
146.45605	1.0
147.08080	4.5
147.11694	19.8
147.12767	1.6
149.09616	8.4
151.11169	1.0
157.10149	20.6
163.11229	2.7
165.12801	4.4
175.11198	20.5
176.11633	1.2
184.07329	1.9
193.12257	57.8
194.12662	3.3
211.13312	90.3
212.13673	4.4
267.15933	38.7
268.16309	1.7
269.17493	1.9
273.15146	1.0
285.16983	78.7
286.17294	5.1
349.21448	1.4
367.22766	3.5
369.11639	1.1
380.06433	1.1
385.23712	4.7
403.24741	2.0
459.27429	32.2
460.27737	3.9
477.21585	2.0
477.28506	41.1
478.28860	4.8
495.29547	100.0
496.29791	12.2
639.31952	1.5
692.34625	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	692.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01876	3.1
55.05276	1.4
55.05517	18.4
57.03436	10.2
57.07084	2.4
59.05001	1.5
61.02935	5.2
65.03939	3.0
67.05508	74.0
68.05834	2.7
69.03419	2.2
69.07066	15.3
69.82094	2.7
71.01350	1.0
71.04996	19.2
73.02914	1.4
79.05498	34.5
79.73961	0.9
81.03429	5.9
81.07059	100.0
82.07394	2.9
83.04983	6.6
83.08617	16.7
85.02910	6.2
85.06546	7.5
87.04465	1.1
91.03966	2.0
91.05485	26.3
93.07050	43.2
94.07387	1.4
95.04976	6.8
95.08607	17.2
97.02899	3.1
97.06535	9.7
97.10173	5.5
99.04485	1.7
99.08087	2.1
105.04520	1.0
105.07026	11.3
107.04996	2.1
107.08595	27.4
109.06515	4.1
109.10155	18.6
111.08092	5.1
117.07025	8.4
119.08572	4.6
121.06523	2.3
121.10137	9.7
123.08030	1.1
123.11703	8.9
125.09628	4.6
129.05490	1.0
131.08563	8.8
133.10146	17.5
135.08023	1.7
135.11671	6.9
137.09654	1.1
139.11186	1.3
145.10120	2.0
147.11688	1.9
149.13268	17.7
151.11191	5.5
153.12756	1.1
155.10667	1.5
157.10114	1.2
159.11705	10.3
163.11195	2.3
169.12315	1.2
173.11775	4.8
177.12741	4.3
183.13797	2.1
187.13350	2.7
191.10654	1.0
193.12218	1.4
195.13808	10.4
209.11737	2.4
211.13329	1.2
213.14822	1.5
217.72340	0.8
227.12796	1.4
229.14346	12.7
236.33485	1.0
257.17514	1.4
267.15961	2.4
269.17468	33.6
270.17938	1.4
291.19394	1.0
292.19943	1.4
297.16580	1.0
301.16534	4.4
301.20105	9.5
423.27420	9.7
437.28995	44.9
438.29495	5.2
451.30502	7.2
463.30554	47.9
464.30823	6.4
495.33722	40.1
496.33679	5.5
508.86319	1.0
513.30566	3.5
675.87970	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	692.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24195	0.7
53.03944	3.1
54.66698	0.6
54.76384	0.7
55.01868	1.9
55.05512	16.7
55.53971	0.7
57.03437	9.3
57.07081	2.1
58.14073	0.8
59.04990	1.0
60.85499	0.7
60.85836	0.9
61.02924	4.3
64.80844	0.7
65.03935	1.7
67.05509	67.6
67.16799	0.7
68.05824	1.2
69.03420	2.1
69.07071	13.7
71.01344	0.9
71.04997	19.5
71.08627	1.0
73.02927	1.4
79.05499	29.0
81.03426	4.2
81.07061	100.0
82.07407	2.7
83.04979	4.5
83.08626	13.4
85.02908	6.6
85.06551	8.3
87.04475	1.4
87.14450	0.7
91.03957	1.9
91.05485	26.1
93.07048	35.8
93.07632	2.0
93.26256	0.7
95.04977	4.7
95.08043	1.4
95.08612	15.4
97.02901	2.4
97.06539	8.4
97.10161	3.8
99.08113	1.1
105.07017	9.2
107.04952	1.4
107.08592	25.6
109.06514	2.8
109.10162	14.0
111.08083	3.6
117.07023	6.6
119.08571	3.1
121.06490	2.2
121.10140	8.9
123.08040	1.0
123.11715	12.2
125.09636	3.1
131.08578	7.3
133.10133	20.7
134.10419	1.1
135.08066	1.1
135.11711	6.7
145.10164	1.0
147.11644	1.0
149.13272	14.1
151.11183	7.2
159.11713	9.5
163.11140	2.3
167.14267	1.2
169.12248	1.1
173.11769	2.9
177.12700	4.1
183.13799	2.4
184.07346	1.5
187.13269	2.8
195.13808	10.1
199.13202	1.3
213.14859	2.4
225.14836	2.1
227.12781	1.3
229.14371	12.6
230.14748	1.1
251.16380	0.9
257.17471	1.6
267.15884	1.0
269.17490	34.1
269.20395	2.0
270.17834	1.1
281.81064	0.9
283.15491	1.4
283.19086	1.5
294.28778	0.8
301.16656	2.3
301.20023	17.4
302.20618	0.9
408.88248	0.9
419.27994	1.7
423.27444	7.9
433.40475	0.9
437.28995	69.4
438.29272	5.8
451.30545	8.3
463.30505	24.3
464.30923	2.8
495.33334	77.9
496.33630	8.2
513.30078	1.8
595.27545	0.9
639.36969	0.9
687.35071	0.9
693.31958	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	692.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01880	1.9
55.05515	10.9
57.03192	0.9
57.03445	7.5
57.07068	2.5
57.69113	0.7
59.04996	1.9
61.02919	3.1
62.06104	0.7
63.94623	0.6
65.03935	2.3
67.05511	67.3
68.05832	1.1
69.03434	1.3
69.07075	14.0
69.88411	2.7
71.01381	1.0
71.05001	19.1
71.08607	0.8
72.76766	0.7
73.02927	1.4
76.06413	0.8
79.05496	27.4
81.03418	2.4
81.07063	95.7
82.07385	1.3
83.04996	6.6
83.08625	16.0
85.02904	4.2
85.06547	7.8
91.03961	1.6
91.05489	19.6
93.07051	40.9
94.07365	1.5
95.04974	5.8
95.08611	14.2
97.02921	1.6
97.06546	8.0
97.10179	2.7
98.23329	1.0
99.08064	2.3
105.04464	1.0
105.07028	10.1
107.04974	1.0
107.08599	26.1
107.09294	1.6
108.08942	1.0
109.06519	2.8
109.10167	11.0
110.10514	0.7
111.04442	1.0
111.08065	4.8
113.09593	1.0
113.78601	0.8
114.74046	0.7
117.07018	6.5
119.08605	2.7
121.06506	1.3
121.10149	13.7
123.08083	1.2
123.11723	10.3
125.09618	1.5
131.08569	6.3
133.10136	13.0
135.08064	1.1
135.11711	7.1
139.11197	1.6
147.11688	1.1
149.13266	23.3
151.11209	4.3
159.11693	10.9
160.12059	0.8
167.10602	0.8
169.12274	0.8
173.11818	2.0
177.12773	4.3
183.13736	1.5
187.13307	2.2
194.25038	0.7
195.13853	8.0
213.14845	1.2
227.12714	1.1
229.14357	4.1
256.89368	0.7
257.17511	1.1
269.17496	24.6
270.18005	1.1
278.28488	2.0
287.34024	0.8
301.16611	1.7
301.19940	8.1
423.27533	3.0
437.28979	47.0
438.29257	3.8
451.30643	7.9
453.85126	0.7
463.30566	100.0
464.30954	10.6
495.33347	33.8
496.33759	3.5
513.30792	1.0
639.36914	1.4
669.34802	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	692.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52270	0.2
53.03940	0.8
55.01875	0.7
55.05517	6.3
57.03443	2.0
57.07083	0.6
58.06606	5.4
59.04996	0.3
61.02921	0.9
65.03940	0.8
67.05509	20.6
69.03423	1.0
69.07076	4.3
70.34451	0.5
71.04994	2.7
72.08129	0.4
73.02921	0.4
79.05070	0.5
79.05501	7.5
81.03415	1.1
81.07063	24.2
82.07397	0.8
83.04977	1.2
83.08628	4.8
84.57696	0.3
85.02927	1.3
85.06560	1.2
87.04472	0.3
91.03943	0.3
91.05488	4.6
93.07049	8.8
95.04976	1.2
95.08611	10.8
96.08963	0.6
97.02894	0.8
97.06535	1.9
97.10170	1.5
97.29140	0.2
98.09682	0.6
99.08101	0.3
105.07042	1.9
106.06017	0.2
107.04978	0.4
107.08604	5.4
109.06496	0.4
109.10159	6.7
110.10535	0.3
111.08074	1.1
117.07032	1.4
119.08598	1.0
121.10151	2.2
123.11733	2.6
125.09620	0.9
129.05492	0.4
131.08542	1.4
133.10144	2.5
135.08072	0.3
135.11673	1.4
135.36034	0.3
145.10167	0.4
147.11676	0.7
149.13280	3.5
151.11163	0.8
159.11731	2.1
163.11218	0.5
165.12825	0.3
173.11778	1.4
173.59906	0.2
177.12743	0.7
184.07338	0.5
186.55629	0.3
187.13347	0.6
191.10745	0.5
193.12361	0.4
195.13794	2.1
196.14252	0.3
199.13316	0.6
209.11781	0.7
213.14650	0.3
227.12781	0.4
229.14377	3.6
267.16064	0.3
269.17471	6.4
270.17731	0.4
278.28433	100.0
279.28763	6.4
283.15512	0.4
301.16458	1.1
301.20081	1.6
306.33865	0.3
391.28876	0.3
423.27411	2.5
437.29019	7.3
438.29031	0.5
451.30423	1.1
463.30582	10.3
464.30911	1.4
495.32828	5.0
496.33353	1.1
513.30865	1.2
690.97180	0.4
693.31744	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	693.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84286	0.9
53.03955	1.8
55.01881	1.2
55.05517	3.2
57.03430	2.2
61.02928	3.2
67.05509	9.8
69.03437	2.8
69.06188	2.4
69.06603	5.3
69.07071	2.9
71.04993	1.9
73.02927	3.0
79.05489	6.7
81.03421	6.2
81.07051	10.8
83.04989	1.5
83.08629	2.1
85.02905	5.7
86.09713	5.7
86.10170	1.0
91.03979	2.3
91.05475	7.0
92.53139	0.8
93.07028	6.5
95.04990	3.5
95.08636	4.5
97.02915	3.7
97.06558	1.6
97.10149	1.0
105.07025	4.4
107.04947	2.3
107.08634	2.8
109.10174	1.7
117.07056	1.0
119.08598	2.7
121.10137	2.3
124.99995	4.7
125.09621	0.9
129.07010	1.9
133.10184	2.5
135.11688	2.3
145.10152	0.9
147.11726	2.3
157.10120	1.5
165.51215	0.8
171.11713	1.1
184.07350	18.4
185.07709	3.8
193.12285	1.4
243.08437	1.5
247.13016	1.2
251.12624	1.1
267.15988	1.4
268.16321	1.3
269.17529	1.5
270.17844	1.1
283.15466	1.4
420.83521	0.9
460.27646	1.4
465.21140	6.2
469.20471	6.8
478.28870	4.4
496.29684	4.5
693.34491	100.0
694.34894	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	693.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89034	0.8
63.91508	0.8
65.47189	0.7
67.05521	0.9
67.18455	0.8
79.05533	0.8
80.31984	0.8
81.07038	1.7
83.71684	0.8
86.89741	0.9
93.07050	2.2
105.07083	0.9
109.06503	1.0
119.66918	0.8
123.69467	0.9
173.28262	0.8
193.05014	1.0
256.26279	0.9
693.34546	100.0
694.34802	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	693.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
60.56112	1.5
64.71827	1.4
67.05505	7.5
69.00127	6.7
69.00553	7.9
69.07095	2.0
71.04984	1.9
79.05505	5.4
81.03429	7.0
81.07075	7.3
83.04986	1.7
83.08618	3.1
85.02913	1.8
86.09709	12.7
91.05500	6.1
93.07053	5.5
94.03964	3.0
95.04964	3.3
95.08611	2.6
98.98490	1.5
105.07050	3.3
107.04929	2.2
107.08599	2.5
108.08908	2.2
109.10197	2.3
111.04414	1.5
111.08068	2.0
119.08611	3.1
121.06521	1.9
121.10210	3.0
125.00035	4.9
131.08569	2.2
133.06319	4.5
134.67961	1.6
147.11664	1.7
163.07402	1.4
182.53903	1.5
184.07341	33.6
184.08888	1.8
191.10501	6.2
193.12317	3.8
206.09225	4.7
211.13376	3.2
219.09952	10.2
245.11649	5.2
267.15955	3.5
285.17020	4.4
289.21490	2.8
319.22897	1.6
329.21066	3.5
331.22595	4.7
333.20374	9.9
347.21884	2.9
395.18839	1.7
408.27655	1.6
413.26743	5.8
447.27673	1.8
453.28616	3.0
461.29089	1.7
468.32040	14.4
469.33160	4.5
477.28192	1.7
478.29117	4.6
484.31641	10.4
485.32584	4.5
494.30054	2.5
495.30862	6.1
496.30008	3.0
512.31122	25.9
513.31787	13.4
530.32867	2.1
531.32648	3.0
631.38129	5.1
647.38226	3.2
675.37073	50.3
676.37610	7.1
693.38293	100.0
694.38538	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97253	0.6
55.05509	2.0
57.03444	1.5
57.07084	0.9
61.02924	5.7
62.93484	0.5
65.03907	0.8
66.14529	0.6
67.05507	9.3
69.03439	3.3
69.07066	1.1
69.19865	5.4
70.66295	0.6
71.08630	0.8
72.74288	0.6
73.02562	0.6
73.02917	3.6
79.05507	2.0
81.03416	1.5
81.07069	3.7
83.08638	1.0
85.02911	4.2
87.42198	0.6
91.03961	3.0
91.05504	1.8
93.07056	2.6
95.08595	3.5
95.80369	0.6
97.02904	3.5
99.04453	0.8
101.02399	1.3
105.07062	1.1
107.08598	2.0
109.02880	0.7
109.10162	6.4
116.38996	0.6
119.08568	1.5
121.10173	1.3
125.00027	0.8
127.03925	1.4
173.11761	1.7
184.07384	1.8
195.10008	0.7
229.14345	1.0
243.08481	1.7
248.68906	0.6
286.28775	0.7
413.17804	10.2
505.10074	0.6
521.30853	5.8
573.49817	0.7
595.47266	3.6
693.41809	100.0
694.42230	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	693.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08875	1.2
53.03956	1.4
53.79292	1.3
57.03437	2.1
57.07087	1.4
61.02924	7.0
67.05505	11.4
68.33772	1.3
68.63219	1.1
69.03438	4.5
69.07071	1.8
71.04993	1.4
71.51843	1.3
73.02921	5.7
79.05494	2.3
81.03413	1.5
81.07050	9.2
83.08626	3.0
83.20230	1.1
85.02891	6.1
91.03954	3.8
91.05508	3.1
93.07063	4.8
95.08644	5.4
97.02910	5.3
97.06550	1.1
98.98504	1.1
107.08608	1.6
109.02869	2.1
109.10165	7.0
228.82056	1.3
243.08577	1.5
269.82172	1.1
413.17990	4.2
444.52466	1.2
520.41083	1.1
521.30994	9.4
573.49255	1.9
595.47296	4.3
693.41779	100.0
694.42242	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30505	1.1
53.03949	1.8
55.01886	1.8
55.05518	12.1
57.03436	2.9
57.07079	8.6
58.50303	0.9
65.03944	1.5
67.05507	26.7
69.07070	15.5
71.04996	2.1
71.08625	3.3
79.05496	16.5
81.07061	28.4
83.04993	2.0
83.08618	6.6
85.10182	2.4
91.05485	16.4
93.07047	18.2
95.04975	3.4
95.08613	23.3
97.06536	3.4
97.10186	4.5
98.98473	34.1
105.07039	17.7
107.08587	11.7
109.06547	1.1
109.10153	9.0
116.99604	1.0
117.07041	10.0
119.08582	17.5
121.06528	1.3
121.10152	8.0
123.08109	1.6
123.11723	3.8
128.06223	1.3
129.07005	7.4
131.08577	20.4
133.10133	11.0
135.08086	1.4
135.11708	6.4
137.09793	1.1
137.13310	1.0
141.07051	3.2
143.08556	12.3
145.10124	22.2
146.10503	1.1
147.11687	6.5
149.13306	2.5
155.01044	5.2
155.08557	5.9
156.09413	1.7
157.10153	9.3
159.11714	10.7
161.13228	4.7
163.11156	5.4
163.14806	1.4
167.08643	1.5
169.10190	4.6
171.11690	9.3
171.24637	1.2
173.02179	1.7
173.13278	6.3
175.14835	4.6
181.10042	2.0
182.02562	0.9
183.11696	7.5
185.13222	7.1
186.13779	1.1
187.14824	5.0
189.16435	1.6
195.11797	2.8
195.66435	1.0
197.13344	3.8
199.14877	5.9
201.16420	4.3
203.18036	2.0
211.14897	3.1
213.16403	4.2
215.18018	3.0
223.15042	1.3
225.16434	2.8
227.12759	7.6
227.18034	3.2
239.18059	2.9
241.19562	2.4
243.21086	1.3
253.19641	2.8
255.20973	1.4
259.20734	1.5
283.20987	1.1
283.24313	1.5
297.22247	1.1
297.26010	1.5
325.25461	1.8
335.25937	1.4
357.27350	1.2
410.31970	1.1
503.42496	2.8
505.38940	1.5
521.37091	8.7
521.44037	4.4
522.38446	2.4
539.44623	7.2
552.43097	1.2
577.46454	2.2
595.47186	58.8
596.47546	10.3
613.48303	7.4
614.48718	2.7
675.44135	3.3
693.44867	100.0
694.45428	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	693.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.1
53.03943	2.2
55.01871	2.2
55.05516	16.1
57.03445	2.9
57.07077	9.1
63.64672	1.1
65.03941	1.5
67.05507	29.8
69.07069	15.0
71.04983	1.5
71.08637	5.1
79.05493	17.9
81.03410	4.5
81.07060	31.3
81.96190	1.0
82.07397	1.2
83.04984	2.4
83.08608	8.4
85.06544	1.5
85.10194	2.4
91.05485	17.5
93.07049	21.3
95.04970	4.2
95.08610	26.9
97.06538	2.3
97.10192	4.4
98.98466	31.8
102.90506	1.0
105.07030	19.6
107.08597	11.6
109.10156	10.3
111.04485	1.4
111.08077	1.3
115.05489	1.7
117.07018	11.5
119.08588	17.6
121.06538	1.2
121.10144	8.5
123.11740	3.8
128.06171	1.9
129.07005	6.8
131.08568	20.2
133.10123	10.8
135.11719	7.5
137.09567	1.2
137.13245	1.4
141.07042	2.5
142.07742	1.9
143.08545	12.6
145.10117	18.4
147.11713	5.6
149.13252	2.3
151.14796	1.4
155.01073	4.2
155.08565	5.2
156.56215	1.2
157.10123	11.1
159.11713	10.1
161.13345	5.2
163.11163	5.5
167.08659	1.4
167.31360	1.1
169.10120	7.1
171.11696	7.4
173.02150	2.5
173.13295	8.0
175.14885	2.9
177.16505	1.3
181.10178	3.1
181.12318	1.4
183.11780	5.0
184.07466	2.0
185.13237	5.5
187.14879	6.4
195.11743	2.5
197.13324	3.3
199.14865	6.8
201.16447	4.0
209.13399	1.9
211.14923	3.4
213.16483	4.4
215.14410	1.5
215.17970	2.2
223.14868	2.4
225.16394	1.5
227.12808	5.5
227.17996	3.1
229.19566	2.7
239.18033	2.5
241.19615	3.1
243.21155	2.6
255.21147	1.2
269.22607	1.7
297.01572	1.1
299.23770	1.5
440.80569	1.1
505.38806	12.2
521.37152	10.1
521.43982	5.8
522.38568	2.5
529.39063	2.1
539.44714	7.3
595.47198	58.2
596.47742	7.7
613.48395	6.8
643.33130	1.4
675.43976	1.9
693.44879	100.0
694.45160	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	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77560	0.9
53.03953	1.1
53.78442	0.8
55.01880	1.2
55.05516	4.7
56.05031	1.2
57.03452	4.4
60.08171	5.7
61.02927	2.2
67.05508	16.2
69.03443	1.9
69.07072	3.8
71.04995	4.8
71.07384	3.1
71.09470	0.8
79.05505	10.4
81.03418	17.3
81.07060	16.4
83.04987	3.7
83.08620	6.5
85.02930	3.5
85.06580	2.2
86.09713	29.2
91.05497	9.9
93.07035	13.1
95.04981	7.0
95.08618	6.5
97.02911	1.8
97.06557	2.2
97.10195	1.8
98.98483	3.3
104.10754	2.7
105.07044	5.2
107.04977	3.0
107.08610	7.7
108.52466	0.9
109.10165	6.8
111.08116	3.6
117.07030	2.5
119.08592	5.5
121.06525	2.0
121.10161	3.8
122.74185	1.0
123.11746	1.3
125.00008	20.4
125.09632	1.0
129.07034	2.9
131.08598	3.7
133.10133	4.9
135.11707	2.0
145.10152	1.3
147.08072	1.5
147.11708	3.0
149.09669	1.9
149.13269	4.0
157.10173	2.8
159.11778	1.4
165.12740	1.0
173.11760	1.5
175.11209	3.5
177.12843	1.1
184.07356	100.0
185.07726	2.4
193.12180	6.4
195.13762	1.3
211.13290	4.4
218.76628	1.1
267.15897	18.9
268.16119	1.1
269.17480	16.3
285.16962	1.8
287.18710	2.0
421.25745	4.2
435.27441	1.1
439.26865	6.8
447.27469	4.7
453.28192	2.3
461.29010	28.1
462.29214	3.3
465.28207	4.3
479.29776	2.2
497.30884	4.0
644.35181	2.1
694.39746	3.0
695.31653	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.04171	1.1
55.05511	10.3
57.03436	5.5
57.07069	3.7
58.56982	0.8
59.05000	1.0
61.02929	28.2
64.40989	0.9
65.03934	2.6
65.53886	0.8
67.05504	60.9
68.05822	1.1
69.03432	2.7
69.06783	1.0
69.07072	10.8
71.04990	2.4
73.02914	7.8
78.84551	0.8
79.05492	35.9
81.03439	2.7
81.07056	66.4
82.07386	2.0
83.04981	2.3
83.08619	8.9
84.99295	0.9
85.02904	29.4
85.06537	3.5
91.03954	25.1
91.04533	1.5
91.05477	21.1
93.07042	51.7
94.07384	1.7
95.04945	2.4
95.08607	50.3
97.02888	15.3
97.06531	2.9
97.10181	3.6
98.22640	2.3
99.04446	1.7
99.08105	3.3
105.07028	15.2
105.07684	1.4
107.07859	1.5
107.08594	31.9
107.09293	1.9
108.05271	0.9
108.08972	1.0
109.06516	1.3
109.10152	31.2
110.10495	1.0
111.08083	2.3
113.09650	1.2
115.03928	1.9
115.05398	1.2
117.07021	8.7
119.06178	1.0
119.08575	16.1
121.10143	33.2
122.10440	1.1
123.08095	1.7
123.11704	15.0
125.09653	1.6
127.03921	7.3
131.08571	20.5
131.68350	1.0
132.08862	1.1
133.10124	14.7
135.11693	28.9
137.09630	2.2
137.13202	4.9
139.11182	2.2
143.10660	0.9
145.04958	13.4
145.10120	15.3
146.10425	1.2
147.11679	11.7
149.13261	21.7
151.11133	2.2
151.14856	2.0
153.12744	1.3
159.11710	12.7
161.13235	11.7
161.90126	0.9
163.06024	22.0
163.11163	1.2
163.14819	16.8
165.12759	3.3
166.74814	1.0
168.86578	0.9
173.13266	15.5
174.13644	1.0
175.14813	5.6
177.12737	2.0
177.16379	6.5
179.14336	2.5
187.14835	7.8
189.16293	1.2
201.16402	2.7
205.15883	1.9
219.17508	1.2
233.22652	3.3
240.77348	1.2
243.21063	35.8
244.21442	2.9
261.22131	100.0
262.22437	7.7
263.23795	2.9
267.88977	0.9
279.23215	2.8
335.25797	18.9
336.25943	1.6
353.26859	48.7
354.27206	3.5
439.30255	2.1
681.00262	1.1
694.31934	7.8
695.33136	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
54.24710	1.3
54.50952	1.3
55.01886	4.2
55.05521	17.4
57.03440	14.0
59.05015	3.7
61.02935	3.9
65.03939	1.8
67.05509	100.0
68.05856	2.3
69.03436	4.4
69.07069	12.0
69.72063	1.4
71.00312	1.6
71.05000	27.6
71.21360	1.3
72.22210	1.3
73.02925	2.1
75.46959	1.5
79.05499	33.8
79.37321	1.6
80.05856	1.8
81.03425	48.5
81.07059	43.0
83.04980	16.8
83.08622	23.4
85.02911	21.3
85.06566	4.1
85.69433	1.4
86.09725	4.9
91.03960	1.5
91.05486	45.5
92.83681	1.4
93.07048	33.8
95.04967	25.0
95.08603	17.4
96.50193	1.4
97.02913	5.1
97.06524	7.2
97.10197	4.1
98.23463	2.3
99.04443	2.9
99.08178	1.7
105.07029	21.2
105.07672	1.9
107.04969	5.3
107.08613	20.4
109.06525	7.5
109.10161	63.8
110.10550	2.0
111.04500	2.0
111.08092	12.2
113.06020	3.1
115.05483	1.8
117.07060	5.6
119.08582	28.5
121.06526	2.8
121.10155	13.0
123.08090	4.0
123.11734	1.8
125.00027	2.9
125.09613	2.4
129.06990	8.6
131.08560	11.3
133.06519	2.6
133.10115	17.8
135.11685	14.0
137.09628	11.3
142.07777	2.9
145.10152	6.5
147.08034	3.6
147.11697	13.8
149.09630	6.7
149.13287	2.0
155.08620	1.6
155.10654	2.7
157.10144	14.1
159.11696	2.2
163.11206	4.1
165.12804	4.3
169.12247	1.8
173.11739	7.5
175.11162	10.8
181.12177	2.9
184.07353	17.4
189.33398	1.5
193.12256	29.1
195.13753	1.8
211.13316	38.6
212.13701	1.9
214.96346	1.8
229.08644	2.1
229.14294	2.9
243.15982	2.2
255.15955	11.9
267.15939	34.8
268.16330	2.2
269.17545	7.9
276.47766	1.5
285.16971	23.6
286.17450	2.2
287.18491	17.3
357.41864	1.4
403.24731	2.6
421.25864	29.8
422.26123	2.7
439.26944	82.8
440.27206	6.7
443.27847	2.1
447.27420	33.9
448.27493	1.9
453.28510	10.9
461.28873	18.5
465.28516	55.4
466.28845	5.7
479.30121	13.9
487.27740	1.6
497.31094	51.4
498.31339	5.8
609.32733	2.3
641.36902	1.5
695.32025	21.4
712.17853	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.7
53.03943	3.5
53.91067	0.7
55.01875	1.6
55.05509	8.4
57.03442	14.8
57.07067	0.9
58.42641	0.8
60.08162	1.7
67.05508	32.2
67.31615	0.9
68.05848	0.8
69.03441	2.2
69.07071	8.7
69.77408	2.7
71.01345	2.5
71.05000	4.1
71.07407	1.0
73.02914	0.8
79.05499	27.0
80.05862	0.8
81.03422	50.1
81.07062	16.5
83.04996	6.6
83.08627	11.1
85.02898	2.4
85.06542	2.3
86.09703	11.3
91.05486	17.9
93.07047	31.3
95.04981	14.7
95.08616	5.5
97.02876	1.7
97.06537	8.3
97.10174	7.2
98.98451	1.0
99.08116	1.5
104.10682	1.0
105.07053	8.4
107.04958	4.1
107.08606	19.1
109.06499	1.6
109.10145	4.6
110.74762	0.7
111.04417	1.6
111.08099	5.8
114.93160	0.9
117.07029	2.6
119.08591	10.3
121.06496	2.5
121.10154	8.1
123.04406	1.2
124.99985	6.1
125.09657	1.4
129.07018	6.0
131.08601	4.9
133.06509	2.0
133.10179	5.2
135.11699	34.0
137.09618	2.1
145.10117	6.9
147.08084	1.9
147.11737	4.8
149.09641	3.0
153.01863	4.2
153.12799	1.9
157.10115	5.6
163.11198	3.9
175.11208	5.7
181.12236	5.9
184.07358	36.5
185.07710	1.3
193.12262	16.2
199.13271	1.2
228.07626	0.8
249.14938	1.2
255.15930	74.5
256.16312	4.0
267.15927	43.7
267.18826	1.8
268.16199	3.2
279.86115	0.8
309.16779	1.2
373.23669	1.6
403.24817	1.4
421.25800	6.8
439.27020	1.1
447.27441	100.0
448.27808	11.3
461.28760	1.9
465.28540	4.1
479.30008	1.8
489.28351	1.0
497.30869	2.5
643.43250	0.9
644.34949	1.2
694.33972	3.4
695.32141	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	694.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.01872	6.1
55.05516	26.8
57.03436	7.0
57.07072	26.8
67.05503	56.0
68.05830	5.7
69.07059	26.2
71.04975	6.2
71.08633	14.3
79.05496	29.2
79.94650	3.1
80.05818	8.0
81.03410	30.7
81.07053	50.0
82.07400	3.8
82.53547	4.9
83.04994	3.9
83.08619	18.3
85.10185	7.0
91.05491	31.4
92.05793	5.1
93.07048	29.9
95.04971	14.0
95.08029	6.5
95.08606	47.4
96.08952	3.9
97.02875	4.8
97.10175	8.8
98.98469	31.5
105.07044	26.8
106.07317	4.5
107.04914	3.3
107.08591	19.5
109.10174	12.8
111.08070	5.2
117.07024	10.4
118.07291	5.1
119.08557	20.3
120.08851	3.7
121.10141	11.5
123.11728	4.1
129.07011	7.0
131.08565	23.1
133.10147	11.3
135.11687	11.8
143.08592	10.9
145.10138	21.5
146.10474	5.0
147.11690	8.3
149.13237	6.3
155.01076	7.2
155.08603	4.2
157.10162	12.3
159.11723	10.6
160.11990	4.2
161.13298	5.5
169.10092	5.1
171.11696	5.1
172.12015	3.6
173.02094	3.9
173.13315	6.9
185.13326	5.0
187.14786	4.0
193.12347	8.5
197.13239	4.7
201.16403	4.4
213.16309	3.8
215.17821	3.9
227.12804	7.1
229.14305	6.4
335.25867	8.7
505.38943	65.5
506.38974	10.4
522.38196	7.9
523.39728	6.3
529.38672	14.6
540.44934	9.2
596.47656	69.9
597.48352	7.3
614.48236	9.2
676.43573	6.1
694.45178	100.0
695.44110	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01872	9.0
55.05516	52.4
57.03448	7.1
57.07084	2.7
59.05004	2.3
65.03959	4.0
67.05509	45.0
69.07074	19.4
70.58990	1.7
71.05006	6.7
78.31808	1.7
79.05496	41.8
81.03422	9.8
81.07067	46.5
82.07360	2.7
83.04984	20.2
83.08622	39.7
85.02913	4.5
91.05486	37.4
93.07049	49.0
94.07413	2.5
95.04977	72.5
95.08610	29.2
95.09163	2.5
96.05340	2.0
97.06551	8.4
97.10154	15.9
99.04478	6.4
105.07034	34.5
107.04941	13.6
107.08602	36.1
108.08942	1.9
109.06527	10.6
109.10162	17.5
111.04454	13.2
111.08067	10.0
113.06081	2.0
115.35847	1.6
117.07030	11.1
119.08583	28.1
121.06514	8.3
121.10154	23.9
123.08098	6.7
123.11719	2.5
125.09658	13.0
129.07033	4.7
131.08568	19.6
133.06483	3.9
133.10152	20.8
135.08092	6.5
135.11717	15.6
137.09666	4.6
137.96527	1.8
139.11198	4.4
141.07031	2.0
142.07869	2.7
143.08588	5.1
145.10130	29.7
147.08035	5.0
147.11716	13.7
149.09615	33.0
149.10696	2.4
149.13342	2.0
150.09941	2.3
151.11209	3.3
155.08527	3.3
157.10143	3.4
159.11694	15.0
161.09683	2.9
161.13275	3.8
163.11189	42.4
165.12788	4.8
169.10176	4.1
171.11708	3.9
173.09686	3.0
173.11906	2.3
173.13290	4.2
175.11246	2.6
177.12738	3.2
181.12225	4.5
184.07301	2.7
187.11208	3.6
187.14806	3.4
189.11238	14.8
191.10832	2.1
197.13243	3.7
205.12340	5.0
223.13301	55.2
224.13734	2.2
227.12727	4.1
229.19534	4.2
239.18074	4.6
247.20505	3.7
255.15973	2.1
257.19034	14.1
275.20087	100.0
276.20425	5.9
293.21103	40.9
294.21469	3.9
331.22842	2.9
335.25723	1.9
349.23770	39.3
350.24139	5.4
367.24808	50.8
368.25159	3.9
489.35864	4.4
602.61938	2.2
623.42938	9.6
641.44055	19.1
642.44049	5.4
659.45361	14.0
660.44830	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	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.7
55.05510	20.1
57.03444	7.0
67.05508	48.1
69.07073	25.0
70.35406	10.2
71.04996	4.1
79.05499	42.7
81.03420	5.0
81.07059	100.0
81.87537	3.6
83.04971	7.6
83.08611	13.7
85.30500	3.1
86.09682	3.8
91.05475	34.1
93.07045	35.9
95.04989	9.4
95.08623	24.4
97.06510	9.0
105.07026	35.2
107.04953	6.4
107.08592	23.6
109.06531	25.5
109.10171	11.4
111.08071	6.4
112.98714	3.2
117.07039	6.9
119.08568	23.9
121.10145	10.6
123.08093	3.8
123.11705	6.0
131.08583	13.2
133.10139	21.3
135.11681	9.5
139.94771	3.9
143.08521	4.4
145.10115	14.0
147.11682	18.3
149.09641	11.4
149.13287	7.4
150.87857	3.6
157.10091	6.5
159.11707	8.7
159.16107	3.5
161.13252	4.8
163.11192	7.6
165.12787	5.0
173.13304	5.8
184.07367	14.3
193.12186	5.2
275.20047	62.2
276.20508	5.6
293.21109	13.9
349.23785	39.1
367.24753	69.1
368.25372	4.6
596.47424	4.3
623.42834	10.7
641.43781	13.8
659.44672	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	694.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01878	22.5
55.05516	49.3
57.03439	16.3
57.07072	6.0
67.05509	71.7
68.67473	4.4
69.07071	52.2
71.04986	5.0
79.05502	77.8
81.03419	10.6
81.07063	100.0
81.07532	6.0
82.07388	4.8
83.04976	19.8
83.08619	35.2
85.06551	9.0
91.05489	76.8
91.06022	6.3
93.07047	69.5
95.04971	52.7
95.08617	49.2
97.06547	28.4
97.10152	16.2
99.04459	6.1
105.07034	54.2
105.07693	5.4
107.04946	20.1
107.08601	44.0
109.06503	19.5
109.10193	19.6
111.04481	9.2
111.08127	12.8
117.07043	19.8
119.08581	40.0
120.08950	3.9
121.06524	13.9
121.10125	27.2
123.08133	6.4
123.11717	9.2
125.06003	4.2
125.09634	14.9
129.06996	8.6
130.07721	3.9
131.08588	25.8
133.10146	29.4
135.08084	10.6
135.11737	21.0
137.09616	7.5
141.07068	3.1
143.08600	7.5
145.10120	33.5
147.08075	4.2
147.11729	24.0
149.09610	35.9
149.13246	7.5
155.08586	6.0
157.10127	8.9
159.11717	21.0
161.09708	3.8
161.13281	8.1
163.11197	35.0
169.10120	5.7
171.11696	6.5
173.13284	9.2
177.12704	4.9
179.14240	3.5
181.12260	8.6
183.11613	6.3
184.07330	9.8
185.13260	5.5
189.11220	8.2
205.12312	4.6
207.13683	3.2
223.13306	33.8
227.12793	5.8
229.19545	5.5
239.17987	3.2
247.20564	3.7
253.17918	4.0
255.15955	12.1
257.19049	18.9
267.16223	3.7
269.17490	18.8
275.20065	95.5
276.20471	9.0
291.19476	3.6
293.21234	32.9
335.25766	3.3
349.23752	53.8
350.24005	5.0
367.24704	33.3
373.45642	3.5
389.47552	3.6
456.79074	3.7
529.34961	3.8
543.36768	8.4
547.36182	7.4
561.37762	24.0
562.37946	4.6
623.42810	7.9
641.43695	10.9
695.41229	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	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
53.47969	2.3
55.01867	10.0
55.05513	43.9
56.05043	6.0
57.03440	9.2
57.07066	5.2
60.08168	3.1
67.05505	56.7
69.03446	3.6
69.07072	28.9
71.04991	6.5
79.05069	4.2
79.05498	62.3
81.03410	8.4
81.07059	100.0
83.04977	11.5
83.08632	34.5
85.06549	4.7
86.09711	16.3
91.05482	46.4
93.07047	41.8
95.04973	53.9
95.08613	45.1
97.06538	9.8
97.10171	8.4
98.98449	3.3
99.04451	3.3
99.08081	4.4
104.52273	2.5
105.07039	45.9
107.04917	15.5
107.08595	34.7
109.06526	23.8
109.10134	12.9
111.04430	6.6
111.08083	7.5
117.07033	15.6
119.08578	36.2
121.06507	9.0
121.10149	21.6
123.08079	6.7
123.11723	7.7
125.00010	11.9
125.09626	10.3
129.07005	7.3
130.07776	3.3
131.08565	27.7
133.10146	27.4
135.08057	6.4
135.11691	13.2
137.09630	5.6
142.12509	2.4
143.08577	4.9
145.10114	20.6
147.08061	4.3
147.11676	23.1
149.09634	24.3
149.13275	4.6
151.11168	6.4
157.10161	6.4
159.07864	3.4
159.11647	13.0
161.09682	3.5
161.13245	3.6
162.52043	2.4
163.11208	26.2
165.12735	7.4
169.10085	3.1
171.11667	4.3
173.09651	3.6
173.13283	7.2
175.11237	4.3
177.12733	4.8
178.87201	2.4
184.07339	50.0
187.11150	2.9
189.11241	6.3
191.14328	2.6
193.12331	3.0
195.11792	2.7
197.13194	2.9
206.53952	2.4
210.14908	4.2
223.13315	30.6
228.70071	2.7
229.19563	5.5
239.18040	5.2
247.20628	5.0
257.19031	10.9
266.17596	4.2
267.15863	3.4
275.20065	98.3
276.20404	7.5
293.21133	32.3
294.21359	4.4
349.23767	49.6
350.23923	4.3
367.24814	78.2
368.24924	6.3
522.41351	10.9
593.50726	2.9
596.46594	4.6
597.48615	3.2
623.43365	14.2
641.44012	21.7
642.44385	5.5
659.45221	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	694.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01864	5.1
55.05513	21.9
57.03440	6.8
57.07066	1.4
57.69474	1.2
59.04995	2.1
65.03945	2.6
67.05508	43.4
69.03424	1.5
69.06736	1.6
69.07073	26.1
70.07423	1.2
71.04993	4.0
71.08632	1.6
75.04460	1.6
79.05497	40.2
80.05798	2.1
81.03423	4.0
81.07060	100.0
82.07391	3.8
83.04986	9.6
83.08620	14.1
85.02907	1.6
85.06544	4.6
87.37620	1.3
91.05484	36.0
92.05801	2.1
93.07047	34.6
94.07343	2.0
95.04987	13.7
95.08049	2.1
95.08611	27.5
97.06541	8.6
97.10170	1.5
98.23343	3.7
99.08033	2.7
105.04539	1.3
105.07038	33.6
106.07379	1.8
107.04961	11.5
107.08592	19.9
109.06519	26.5
109.10166	11.3
110.06879	1.4
111.08082	4.2
117.07024	10.8
119.07897	1.2
119.08579	30.8
120.08902	2.2
121.06508	6.5
121.10149	17.7
122.10463	1.5
123.08076	9.2
123.11695	7.8
125.05987	1.8
125.09616	3.3
129.06978	4.9
129.99477	1.1
131.08586	16.6
133.06477	2.5
133.10138	20.0
134.10486	1.4
135.08032	4.0
135.11687	8.2
137.09612	4.4
143.08539	1.9
145.10135	14.1
147.08070	2.3
147.11682	17.2
148.12038	1.9
149.09641	9.1
149.13266	7.3
151.11183	3.1
155.08540	1.6
157.10138	5.4
159.08069	1.3
159.11720	9.5
161.09634	2.5
161.13293	2.4
163.11189	9.0
163.14790	3.2
165.09082	1.3
165.12755	5.6
169.10094	1.8
171.11687	2.5
173.09619	2.2
173.13162	5.5
175.11174	3.7
177.12756	3.1
179.14346	1.8
181.12294	1.9
183.11681	1.9
185.13295	1.5
187.14798	2.5
189.12726	1.3
191.14337	2.1
193.12204	3.1
195.95393	1.3
197.13390	2.2
207.13831	1.4
229.19542	3.0
229.40277	1.5
239.17921	2.7
247.20605	6.1
257.18994	5.6
267.16119	1.4
273.18536	3.5
275.20081	61.8
276.20425	7.8
291.19598	6.5
292.19766	1.6
293.21118	12.5
294.21591	1.5
349.23694	32.7
350.24008	3.8
367.24802	52.3
368.25165	6.0
378.14612	1.2
560.68011	1.2
623.42908	9.4
624.43341	1.7
641.43915	8.3
642.44708	1.4
659.45288	14.9
660.45343	3.3
676.40222	2.5
677.39380	1.6
694.41022	4.4
695.41309	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	694.489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68649	2.0
51.29393	1.9
51.29624	1.8
53.03946	4.5
53.22913	2.0
55.01863	10.0
55.05516	39.3
57.03442	9.3
57.07073	2.2
59.05006	2.6
61.25664	2.1
65.03938	4.6
65.12755	2.1
67.05507	50.5
69.03436	5.5
69.07066	31.0
71.04993	7.6
75.04494	3.5
79.05502	51.7
81.03422	7.0
81.07062	100.0
82.07372	2.5
83.04980	18.2
83.08619	32.5
85.06573	5.0
86.31905	1.9
91.05491	42.8
93.07043	43.5
95.04969	63.8
95.08618	33.0
97.02921	2.4
97.06544	13.7
97.10156	11.5
99.04480	7.8
99.08131	5.4
105.04581	2.5
105.07041	42.0
107.04967	16.0
107.08591	33.8
109.06512	27.4
109.10155	15.8
110.06882	2.0
111.04436	14.8
111.08092	6.9
117.07040	13.0
119.08592	33.7
120.08957	2.6
121.06537	9.7
121.10146	17.7
123.08053	14.2
123.11711	7.9
125.06027	3.2
125.09628	10.6
129.07008	7.5
131.08572	20.1
133.10129	23.4
135.08025	10.4
135.11700	10.5
137.09660	6.3
141.09238	2.5
143.08609	3.2
143.38487	2.1
145.06398	2.4
145.10126	23.0
146.00694	2.2
147.08092	6.0
147.11697	16.9
149.09624	22.5
149.13286	7.1
151.11189	3.9
155.08618	2.6
157.10138	7.2
159.11678	11.7
161.09639	3.4
161.13287	2.9
163.11191	32.8
165.09152	3.4
165.12750	4.9
169.10146	2.6
171.11754	4.5
173.09569	3.0
173.13283	8.1
175.11209	5.5
177.12817	4.6
178.57932	2.0
181.12292	7.2
187.11223	4.9
189.11253	4.8
193.12296	3.0
197.13228	2.8
199.14900	2.3
205.12302	4.8
221.15518	2.3
223.13263	26.8
227.13034	2.4
233.15521	2.6
239.18045	3.4
247.20671	4.1
257.19003	11.8
275.20087	81.3
276.20380	9.0
283.15677	2.2
293.21140	32.8
294.21381	4.5
349.23715	33.4
350.23962	4.5
367.24802	84.7
368.25064	6.5
449.83533	2.1
623.43024	9.7
641.44049	21.2
642.44446	5.8
659.45081	22.6
660.45483	5.0
695.39050	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	694.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.5
53.84932	3.6
55.01879	5.4
55.05521	30.4
57.03426	10.8
57.07072	12.9
59.04985	4.7
61.02915	4.6
67.05513	100.0
69.03436	4.5
69.07069	39.8
71.04984	16.1
71.08632	8.0
71.87885	3.8
79.05497	72.7
81.03429	19.1
81.06592	4.7
81.07063	85.4
83.04977	8.5
83.08630	19.7
85.06595	4.9
85.91096	4.3
91.05483	49.7
91.79281	4.1
93.07047	65.0
94.07417	4.1
95.04984	11.5
95.08609	51.3
97.06550	9.5
97.10178	11.5
105.07051	36.6
107.08609	50.2
109.06549	7.6
109.10159	29.9
114.41039	3.7
117.07023	14.9
119.08573	26.0
121.06511	4.1
121.10143	27.4
123.11681	5.4
125.09657	13.0
129.07057	6.9
131.08607	19.1
133.10149	23.7
135.11710	22.8
137.09674	4.8
143.08545	5.2
145.10135	19.8
147.11671	12.1
149.09595	4.8
149.13231	9.1
151.72652	3.7
155.08548	4.0
157.10150	5.9
159.11696	14.0
161.13214	6.1
163.11143	5.6
163.14810	4.9
169.10066	3.9
171.11737	6.1
173.11874	4.3
173.13289	10.3
177.16293	4.5
184.07286	4.4
195.13782	4.7
227.12791	8.5
229.14281	18.4
275.20016	18.7
313.27246	8.0
316.71414	3.9
335.25751	35.4
336.26218	5.3
349.23578	10.8
439.19174	7.2
489.35513	9.3
505.39136	24.1
506.39151	7.4
522.38507	6.7
529.38867	98.7
530.38995	15.3
597.48694	4.5
609.45074	11.2
641.47766	6.2
695.43311	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3249
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03935	0.8
55.01886	0.6
55.05504	1.4
57.03443	1.3
60.08163	0.8
61.02928	2.9
61.15918	0.6
67.05505	4.3
69.03436	2.2
69.07080	0.7
71.07375	0.8
71.29279	1.1
73.02933	2.3
79.05479	3.4
81.03423	4.9
81.07053	3.5
83.04998	0.8
83.08642	2.0
85.02900	4.6
86.09717	4.3
91.03987	1.4
91.05483	3.3
93.07052	2.5
95.04980	1.9
95.08611	2.6
95.55603	0.6
96.05311	0.7
97.02911	3.3
101.02376	1.2
102.98116	0.6
105.07037	2.1
107.08624	2.3
109.02861	0.6
109.10207	1.3
111.08104	0.9
119.08595	2.3
121.10175	1.5
125.00022	2.7
127.03947	1.1
129.07053	0.7
131.08577	1.3
133.10133	1.7
135.11746	2.5
137.09645	0.7
139.37903	0.7
145.10187	2.0
147.11731	1.2
155.03644	0.7
163.11217	3.5
173.11958	0.8
175.11209	0.9
181.12285	0.6
184.07353	12.7
185.07773	2.2
193.12296	1.4
204.70203	0.7
211.13420	0.9
219.10011	0.8
227.12845	2.7
243.08420	2.2
249.10971	8.5
251.12686	1.0
267.15790	1.3
305.13693	1.3
416.98831	0.6
462.29044	1.0
467.18750	6.5
469.20493	9.2
470.20926	1.2
695.32410	100.0
696.32794	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	695.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00275	0.4
53.03948	0.5
55.01866	0.9
55.05516	2.4
57.03440	3.2
59.05014	0.4
60.08154	0.5
61.02929	4.2
65.03944	0.4
67.05506	6.8
68.05832	1.0
69.03432	2.7
69.07071	1.8
69.73050	1.7
71.01358	0.8
71.05002	1.4
73.02921	3.5
75.96725	0.3
79.05500	5.1
80.05824	0.5
81.03423	8.1
81.07066	6.3
82.03749	0.6
82.07419	0.7
83.01360	0.4
83.04533	0.3
83.04972	2.0
83.08625	3.4
84.08946	0.5
85.02914	6.1
86.09718	0.7
91.03968	2.9
91.05495	5.4
92.05814	0.8
93.07047	4.9
94.07379	0.7
95.04972	2.6
95.08594	2.2
97.02893	4.2
97.06535	0.8
97.10194	0.6
97.18616	0.4
99.04461	0.8
101.02380	1.4
105.07035	2.7
107.04972	1.3
107.08606	2.7
109.02913	0.5
109.06549	0.9
109.10160	1.9
110.10513	0.6
111.08098	1.4
117.07055	1.2
119.08573	2.3
120.08946	0.4
121.06487	0.5
121.10178	1.4
123.08083	0.5
125.00015	0.6
125.09615	0.4
127.03941	0.9
129.06998	0.9
131.08580	1.4
132.08902	0.5
133.10103	2.0
134.10437	0.5
135.11714	1.7
137.09612	0.6
145.10144	1.3
147.08054	0.6
147.11717	1.4
149.09683	0.8
149.13243	0.8
157.10159	1.2
159.11693	0.4
163.11205	1.9
165.12875	0.4
166.13194	0.3
175.11267	1.3
184.07343	2.5
193.12187	2.7
194.12747	0.5
207.94240	0.4
211.13387	1.6
227.12889	0.6
243.08481	1.6
249.11009	0.9
251.12509	0.8
267.15948	3.2
268.16254	2.7
269.17609	2.3
270.17767	2.5
283.15186	0.5
285.17038	0.5
288.19046	0.4
307.14908	0.4
329.08957	1.9
439.27188	0.5
440.27301	1.8
441.16522	0.4
448.27939	1.1
449.29001	0.5
454.29288	0.6
461.28970	2.5
462.29321	7.2
462.35660	0.7
466.28961	1.2
467.18903	6.8
468.19235	0.5
469.20468	6.1
470.20905	0.6
479.29877	0.4
482.16812	1.1
497.31467	0.4
498.31573	1.2
541.18610	1.4
573.20831	2.2
695.32446	100.0
696.32745	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	696.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.01871	1.2
55.05519	2.5
57.02502	1.1
57.03444	1.6
57.43093	0.9
60.87140	0.9
61.02916	2.1
63.03718	0.9
67.05505	1.2
69.03429	8.6
69.07070	1.9
69.39027	5.5
70.06582	1.0
71.05001	6.0
71.46284	0.9
72.08126	1.4
73.02895	4.6
79.05480	2.1
81.03419	12.9
81.07061	8.9
83.04989	1.3
85.02908	67.4
86.03262	1.2
87.04494	1.3
91.03923	1.4
91.05499	4.5
93.07051	4.8
95.05001	1.0
95.08611	11.5
97.02896	25.3
98.03249	1.4
99.04459	41.3
99.08096	4.1
100.11246	1.3
103.03944	82.5
105.07043	6.2
107.08602	9.5
109.02882	16.1
109.10143	1.3
113.09649	2.5
115.03951	1.5
117.06999	1.3
119.08583	48.3
120.08907	1.1
121.10144	1.0
123.11730	3.7
127.03918	100.0
128.04291	1.7
131.08540	0.9
133.10130	95.4
134.10477	2.9
135.11703	18.7
136.95859	0.9
137.47369	0.9
145.04961	61.1
145.10133	1.3
146.05324	2.2
147.11679	1.9
159.09164	1.6
163.06023	69.2
164.06313	1.4
175.14824	92.2
176.15161	5.1
187.06071	3.5
193.15891	24.6
194.16200	1.1
205.07137	3.7
210.14914	1.6
211.16956	12.0
212.17262	1.1
253.07030	1.7
271.08145	12.9
289.09192	10.8
307.10239	24.7
308.10660	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	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.4
55.05512	18.6
57.03437	6.0
57.07072	9.0
61.02652	2.3
61.02932	25.4
65.03944	1.5
67.05506	61.0
69.03431	2.3
69.07070	19.9
70.55939	3.0
71.04978	1.9
71.08626	4.6
71.59869	1.2
73.02913	9.8
73.58916	1.3
79.05499	18.9
79.97446	1.4
81.03413	2.3
81.07062	75.0
82.04836	1.3
82.07394	1.4
83.04977	1.4
83.08622	15.8
83.78159	1.4
85.02908	29.4
85.06549	3.6
85.10176	3.5
86.09716	2.7
91.03955	21.2
91.05473	13.7
93.07055	21.1
95.08610	72.9
96.08944	1.6
97.02886	13.8
97.06535	5.9
97.10165	13.8
99.04450	2.2
99.08109	3.8
105.07027	10.4
107.08611	12.4
109.10154	33.0
110.10471	1.7
111.08076	2.9
111.11741	2.6
113.09632	2.4
119.08577	11.6
121.10133	19.4
123.11710	15.4
125.09619	2.5
127.03919	11.2
127.11253	2.2
131.08562	1.5
133.10124	13.4
135.11687	11.6
137.13272	10.4
141.12772	3.4
145.04984	11.7
147.11679	11.0
149.13269	11.4
151.11240	1.5
151.14850	5.6
155.14404	1.9
161.13272	15.2
163.06024	23.1
163.14861	9.7
165.12691	1.4
165.16411	8.2
167.14357	1.4
175.14806	10.5
179.14359	1.7
179.17863	8.7
184.07376	8.8
189.16435	4.6
203.17902	1.9
217.19608	1.9
245.22656	65.3
246.23000	6.4
262.25223	1.6
263.23706	100.0
264.24094	9.7
265.25330	3.4
271.03229	1.3
281.24762	2.2
332.53751	1.5
337.27353	41.3
338.27628	2.9
355.28470	7.5
460.30780	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	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.16378	1.0
55.05514	20.6
57.03441	8.7
57.07080	11.9
58.37613	1.3
61.02929	29.2
65.03928	1.6
67.05507	80.9
68.05871	1.6
69.03417	4.9
69.07069	30.5
71.04978	3.3
71.08636	6.7
71.28934	1.4
73.02915	8.9
79.05495	23.3
81.03422	3.4
81.07059	98.2
83.04971	4.3
83.08617	22.7
85.02908	34.6
85.06553	4.4
85.10176	3.2
91.03956	26.9
91.05481	18.6
93.07042	25.9
95.04954	1.7
95.08608	77.6
96.08922	2.3
97.02899	15.7
97.06524	9.0
97.07055	1.2
97.10165	17.4
98.65421	1.2
99.04469	1.8
99.08099	4.8
105.07029	13.3
107.08588	20.8
109.06504	1.5
109.10161	44.7
110.10512	1.1
111.02007	1.1
111.08083	5.1
111.11710	4.0
113.09626	2.3
115.03933	1.6
117.07021	2.1
119.08591	14.9
120.08981	1.3
121.10145	26.5
123.08048	2.8
123.11707	22.7
125.09666	1.6
125.13263	2.1
127.03916	11.2
127.11237	1.2
129.09062	1.2
131.08553	1.4
133.10130	18.1
135.11707	12.5
137.09579	2.6
137.13252	8.9
139.11208	1.8
141.12724	4.2
142.07813	1.2
145.04970	11.6
145.06064	1.6
145.10083	2.0
147.11674	13.4
149.09653	1.4
149.13269	10.8
151.11203	2.2
151.14842	7.4
153.08934	1.1
155.14304	4.0
161.13271	17.1
163.06024	17.5
163.11252	1.5
163.14819	12.1
165.12755	1.2
165.16423	8.6
167.14235	2.3
175.14850	12.4
177.16396	2.3
179.14316	1.6
179.17937	8.4
189.16402	4.6
193.15926	1.7
203.17941	1.9
217.19563	2.7
245.22655	66.3
246.22932	4.5
262.25131	1.1
263.23703	100.0
264.24042	6.7
265.25259	2.4
280.93729	1.3
281.24655	2.8
337.27344	70.2
338.27734	7.7
340.27063	1.1
355.28418	11.7
356.28534	1.2
362.17899	1.2
369.74673	1.1
403.52597	1.3
449.82785	1.3
472.34833	1.2
499.32550	4.1
500.33340	1.3
600.39514	1.3
696.36041	8.6
697.36469	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	696.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01877	8.8
55.05518	52.4
57.03442	14.7
57.07082	14.5
59.05015	5.7
67.05511	98.6
69.03413	4.3
69.07074	38.7
69.15862	6.5
69.16264	18.8
71.05016	7.2
71.07364	8.8
71.08636	4.0
79.05490	59.5
81.03435	13.9
81.07062	71.4
83.04992	12.6
83.08627	33.1
85.02927	4.8
85.06570	4.4
85.10180	33.2
86.09717	46.0
91.05481	45.6
93.07043	47.5
93.91382	3.8
95.04976	67.9
95.08611	49.3
95.09164	4.4
95.98882	3.5
97.06582	8.2
97.10187	16.2
98.23388	7.4
105.07045	42.3
107.04964	21.3
107.08603	38.6
109.06544	8.2
109.10162	40.4
111.04466	12.2
111.08112	8.1
113.09650	35.9
117.07047	9.8
119.08588	25.6
121.06506	8.5
121.10149	19.4
123.08099	6.9
123.11722	4.3
125.09643	11.3
131.08592	14.1
133.10172	19.3
135.08070	5.5
135.11746	8.8
137.09619	4.4
145.10129	23.3
146.98175	21.4
147.08011	4.7
147.11665	19.0
149.09619	27.8
151.11131	7.0
157.10123	4.8
157.35953	4.8
159.11685	8.4
161.13245	5.9
163.11157	22.2
165.12766	42.3
171.11708	7.1
175.11188	7.0
175.14879	4.4
177.12782	4.9
187.11153	3.8
189.11266	15.6
193.12216	4.8
205.12245	4.6
223.13326	35.9
257.19000	9.9
262.25253	7.8
275.20102	56.8
277.21637	51.7
278.12869	3.6
293.21066	28.2
295.22690	100.0
296.23108	11.7
349.23801	25.0
349.27332	3.7
351.25281	33.1
352.25891	4.3
367.24866	33.2
369.26511	34.4
491.37186	5.5
513.35504	91.0
514.35815	19.0
537.81543	4.5
549.35406	7.1
625.44757	18.0
637.34613	34.4
638.35187	5.9
643.45526	22.6
644.46246	5.0
647.33942	4.1
661.46765	23.4
662.47131	9.1
696.41626	19.9
697.42493	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	696.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40375	1.3
50.45370	1.3
53.03949	6.0
55.01883	8.6
55.05518	35.5
57.03448	10.7
57.07073	8.6
62.48006	1.3
64.35234	1.5
65.03961	3.7
67.05511	68.6
68.05859	2.2
69.03443	4.0
69.06691	2.1
69.07070	29.7
69.54549	3.4
69.54935	2.6
71.05001	5.8
71.08646	8.5
78.70886	1.6
79.05500	53.5
80.05823	1.7
81.03423	7.7
81.07064	100.0
82.07395	3.3
83.04990	13.2
83.08631	23.8
85.06556	5.8
85.10190	12.9
91.05489	57.7
93.07054	59.4
95.04984	24.0
95.08615	45.1
96.11205	1.2
97.06540	15.0
97.10191	5.4
99.04519	1.9
99.08098	9.4
99.27783	1.4
103.05479	2.5
105.07040	39.0
106.07375	1.4
107.04961	16.5
107.08601	35.6
109.06535	15.4
109.10172	16.0
111.04475	3.1
111.08090	8.8
113.09664	12.2
115.05466	2.3
117.07028	14.3
119.08596	27.7
120.08952	1.4
121.06528	7.6
121.10139	20.8
123.08077	9.3
123.11729	7.9
125.09641	4.3
129.07016	8.4
131.08569	20.6
133.10136	22.4
135.08073	6.4
135.11728	11.5
137.09610	3.8
139.11201	2.2
141.06958	2.4
142.07732	2.0
143.08583	6.8
145.10126	18.1
147.08080	3.1
147.11696	22.7
149.09630	14.5
149.13240	10.9
150.09900	1.8
151.11203	10.9
153.12741	2.0
155.08514	3.0
157.10168	8.7
159.08136	2.3
159.11705	15.6
161.09586	3.5
161.13269	6.5
163.11174	16.5
163.14851	1.9
164.11548	2.1
165.09169	2.0
165.12778	21.6
167.10725	2.4
167.14249	2.9
169.10173	4.1
171.11702	6.6
173.09641	1.8
173.11928	1.6
173.13309	5.9
175.11195	8.2
175.14877	2.9
177.12776	5.1
179.14314	5.3
181.12285	2.7
183.11618	3.0
185.13213	2.4
187.13211	1.7
187.14841	2.4
189.11183	2.3
189.12819	2.6
189.16412	1.8
195.11777	1.4
195.13809	2.9
197.13301	3.1
199.14885	2.5
201.12880	2.2
203.14369	2.4
207.13828	2.8
221.15408	2.3
223.13315	5.6
227.12804	2.9
233.15341	2.2
237.14772	2.0
239.18031	2.5
247.20529	3.1
249.22298	1.4
253.17952	1.6
255.15904	2.7
257.19025	5.6
259.20612	4.8
262.25266	2.5
267.15768	2.3
269.17496	21.8
270.17841	3.3
275.20081	44.9
276.20465	4.1
277.21628	34.6
278.22034	2.6
293.21176	12.1
295.22733	18.2
296.22992	3.2
349.23755	28.3
350.24118	4.5
351.25327	30.9
352.25455	2.5
367.24829	20.4
368.25400	2.6
369.26285	16.6
522.84143	1.5
531.36926	1.7
543.36865	15.3
544.24573	1.5
544.36597	1.5
545.38092	7.3
561.37909	19.8
562.38190	2.6
563.39484	9.8
625.45264	8.4
643.46063	12.2
644.46118	2.6
661.45947	6.7
697.42792	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	696.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.97206	1.2
55.01876	16.6
55.05518	30.3
55.30470	1.2
57.03446	8.3
57.07066	3.8
62.57432	1.1
65.03952	3.2
67.05508	47.1
69.03434	2.3
69.07071	24.6
71.04979	3.7
71.08636	13.5
79.05493	42.6
81.03410	4.4
81.07059	100.0
82.07388	2.4
83.05003	7.7
83.08622	24.4
85.06551	5.7
85.10190	4.9
91.05484	37.8
93.07048	35.4
95.04965	12.5
95.08612	33.0
96.08961	1.5
97.06535	10.4
97.10171	4.3
98.22618	4.1
99.08096	7.9
99.08643	1.3
105.04539	1.8
105.07037	35.4
106.07331	1.8
107.04987	7.6
107.08601	19.8
109.06528	19.9
109.10154	13.3
111.08090	17.2
113.09622	7.3
117.07030	8.0
119.08591	26.0
121.06509	5.1
121.10147	15.7
123.08081	7.0
123.11716	8.8
125.09645	3.0
129.07002	4.8
131.08569	11.2
133.06497	1.7
133.10132	22.7
135.08052	3.5
135.11702	8.0
137.09621	4.7
137.13255	1.4
139.11227	3.7
143.08580	1.7
145.10123	10.6
146.10435	1.1
147.08031	1.3
147.11703	23.1
149.09622	7.4
149.13246	10.9
151.11224	7.6
153.12767	2.2
156.09438	1.2
157.10168	5.5
159.11766	6.1
161.09752	1.1
161.13263	4.9
163.11191	8.4
163.14819	2.7
165.12758	15.0
167.14304	1.4
169.10152	1.2
171.11708	3.3
173.13292	4.5
175.11189	4.4
175.14861	2.2
177.12764	3.2
179.14337	4.3
183.11800	1.1
185.13286	1.9
187.14748	1.6
189.12732	1.6
191.14317	1.5
193.12256	2.6
215.17943	1.5
221.15405	1.4
229.19572	1.9
239.17999	2.1
247.20576	3.5
249.22159	1.8
257.19022	5.7
259.20563	3.7
267.15967	1.2
275.20081	55.8
276.20456	5.1
277.21616	41.8
278.22003	3.4
293.21176	11.0
295.22714	10.4
349.23755	31.0
350.24066	1.4
351.25299	30.6
352.25439	2.5
367.24820	53.1
368.25125	5.0
369.26385	49.0
370.26654	4.6
529.81079	1.3
569.42157	1.6
587.42084	1.6
625.35010	1.6
625.44647	20.1
626.44751	2.6
643.36145	2.0
643.45728	20.6
644.45636	4.9
661.46906	23.8
662.46509	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	696.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.9
54.16075	2.5
55.01879	25.5
55.05515	73.7
55.05752	2.7
57.03443	15.7
57.07071	8.8
65.03946	4.9
67.05509	89.8
68.98262	24.1
69.03430	8.6
69.07067	43.8
71.04998	6.9
71.08651	20.5
79.05495	63.6
81.03429	10.7
81.07063	100.0
83.04990	21.6
83.08624	58.9
85.02926	5.6
85.06573	7.0
85.10195	6.4
91.05486	71.6
92.05785	2.9
93.07046	72.4
95.04971	79.3
95.08614	57.0
97.06532	14.8
97.10170	20.0
98.23389	5.0
99.04460	4.9
99.08099	18.8
105.07035	62.8
105.07677	4.8
106.07316	3.6
107.04958	16.0
107.08598	56.9
109.06506	16.4
109.10154	30.7
111.04469	13.2
111.08087	31.7
113.09671	10.4
117.07014	18.0
119.08592	49.5
121.06516	8.2
121.10134	41.7
121.10901	3.6
123.08083	11.4
123.11744	12.3
125.06074	3.1
125.09614	14.0
129.07005	7.6
130.07748	3.3
131.08565	27.1
133.10127	34.5
135.08052	6.9
135.11714	24.3
137.09627	5.6
137.13303	3.1
139.11209	6.2
142.07793	4.2
143.08582	12.9
145.10133	32.4
147.08014	6.5
147.11697	29.1
149.09624	34.2
149.13287	12.3
151.11174	14.0
153.09128	3.5
153.12733	5.0
155.08563	6.7
157.10185	10.4
159.11697	18.2
161.09660	4.2
161.13281	13.3
163.11179	44.1
165.09209	3.7
165.12747	22.2
167.10684	4.8
169.10150	3.5
171.11726	10.3
173.13280	5.5
175.11253	5.2
175.14774	5.2
177.12733	8.5
179.14340	5.2
181.12270	4.2
183.11716	4.1
185.13272	6.9
187.11162	4.6
187.14806	5.0
189.11221	15.3
191.10695	3.5
197.13313	4.7
203.14455	2.9
205.12306	6.3
207.13857	5.3
221.15439	6.0
223.13309	52.2
227.12828	4.5
239.18175	6.1
241.19576	5.5
249.22090	5.0
257.19028	13.7
259.20624	7.0
262.25311	3.6
269.17627	7.9
275.20068	84.1
276.20432	8.7
277.21637	63.5
278.21957	4.6
293.21146	45.6
294.21451	3.1
295.22504	18.3
342.41739	3.1
349.23755	34.3
350.24228	4.7
351.25296	39.7
352.25180	3.4
362.12009	3.2
367.20615	5.6
367.24792	57.0
369.26431	47.8
370.26624	3.3
463.30267	3.5
517.38800	6.2
625.44580	21.1
626.44556	3.8
643.45917	31.9
644.45538	6.3
661.46851	29.6
662.46832	7.1
697.42651	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01871	8.3
55.05511	33.2
57.03436	8.0
57.07084	13.8
65.03954	2.9
65.21117	2.0
66.02177	1.7
67.05508	60.7
69.07072	31.1
69.56395	8.4
71.05008	4.9
71.08621	6.4
79.05494	44.6
80.05837	2.0
81.03418	13.2
81.07059	100.0
82.07433	3.0
83.04981	12.5
83.08627	25.0
84.74529	1.7
85.06541	3.5
85.10184	27.9
91.05488	45.3
92.05817	1.9
93.07044	42.2
95.04969	27.1
95.08611	38.8
97.06528	11.4
97.10173	8.4
98.23376	1.7
99.08094	6.6
105.04538	2.6
105.07027	42.1
105.07677	3.2
106.07359	1.6
107.04941	16.8
107.08599	29.8
108.73965	1.9
109.06520	22.4
109.10156	22.9
111.04467	1.6
111.08096	8.1
113.09634	24.2
117.06990	9.5
119.08578	27.3
121.06514	8.0
121.10143	17.5
123.08066	8.6
123.11710	8.1
125.09640	5.0
129.07013	3.6
131.08543	14.5
133.10132	26.7
135.08043	3.8
135.11714	13.0
137.09581	3.9
141.99016	1.9
143.08517	3.0
145.10086	15.0
147.08110	2.3
147.11678	22.6
149.03471	1.7
149.09616	14.8
149.13203	9.3
151.11212	9.4
155.08459	2.0
157.10165	5.7
158.15855	1.7
159.11723	5.7
161.13263	4.6
163.11188	14.9
165.12752	40.0
167.14322	1.8
171.11697	3.4
173.09639	2.1
173.13229	3.8
175.11201	4.9
175.14919	2.1
177.12749	3.5
179.14339	4.9
181.12387	2.5
184.07408	2.2
187.13393	2.5
189.11185	2.9
191.14398	2.2
195.13837	2.2
201.12862	1.9
207.13873	3.1
223.13286	3.1
229.19583	2.0
231.21100	2.0
239.17883	3.4
247.20625	4.5
257.19003	5.6
259.20557	3.1
262.25284	4.9
269.17511	5.4
275.20053	63.3
275.23026	3.5
276.20465	3.8
277.21646	45.4
293.21042	18.2
294.21436	2.2
295.22668	78.9
296.23032	5.9
349.23715	31.6
350.24133	1.7
351.25281	28.4
367.24768	46.1
368.25119	4.9
369.26376	43.4
370.26685	1.8
440.50009	1.8
505.38708	3.7
549.35468	6.2
599.50055	2.1
625.44568	20.4
626.44769	2.5
643.45654	26.0
644.45679	7.0
647.32947	3.0
661.46698	23.4
662.46704	5.7
697.42499	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	697.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03424	1.4
57.27148	0.5
61.02930	3.2
67.05509	3.2
69.03437	2.0
69.07087	0.7
69.80609	2.0
71.04976	0.7
73.02924	1.8
79.05486	3.4
81.03407	4.0
81.07041	3.6
83.04993	0.8
83.08649	0.9
85.02909	4.1
91.03968	1.0
91.05479	5.0
92.05794	0.5
93.07065	2.0
95.04967	2.7
95.08615	0.9
96.36080	0.5
97.02915	3.3
97.06560	1.2
99.04504	0.8
101.02412	1.6
105.07030	3.0
107.04989	0.5
107.08581	1.2
109.02889	0.7
109.06547	0.5
109.10184	0.6
117.07033	0.5
119.08624	1.9
121.10152	2.2
127.03960	0.8
129.07054	0.8
131.08585	1.4
133.10168	2.2
142.07834	0.7
147.11731	2.4
149.09677	2.3
157.10182	1.7
175.11266	1.6
184.07353	0.6
185.04317	0.6
188.06892	0.7
193.12286	2.2
203.05351	0.6
211.13348	0.8
212.18948	0.6
218.07927	5.5
220.82637	0.5
243.08513	2.0
251.12604	2.6
263.11978	0.5
267.16010	0.9
271.15552	0.7
285.17023	0.7
289.09448	0.6
290.10229	0.8
301.09329	0.8
305.12891	0.5
307.15195	0.7
309.12195	0.7
317.08978	2.5
318.09598	0.6
330.09653	0.7
331.10574	2.3
332.11435	0.6
339.13315	4.3
341.14865	0.8
345.12070	1.3
361.07971	1.6
361.11908	1.3
362.08649	0.8
367.12857	1.1
374.08865	0.9
375.09827	1.4
376.10043	1.1
377.11310	1.0
379.12778	0.9
389.11053	3.6
440.15598	1.4
455.17990	3.3
456.18973	0.7
466.17313	1.7
469.20477	14.6
470.21149	3.0
471.18231	0.6
482.28247	1.1
483.17825	2.1
484.18253	3.8
487.17496	0.9
498.20081	6.0
499.17221	1.2
500.17499	1.3
502.19647	1.2
514.19489	4.0
517.27820	0.8
527.17395	0.8
528.17273	4.3
535.28845	0.7
542.18976	45.7
543.19385	6.9
560.20276	0.6
574.21594	18.0
575.22235	4.4
594.01099	0.6
621.26868	1.2
633.22748	1.1
665.25775	37.8
666.26105	6.0
679.33081	1.5
697.34113	100.0
698.34460	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.9
57.03438	1.7
61.02932	3.7
67.05506	1.7
69.03439	2.5
69.07081	0.6
70.58477	0.4
70.82134	0.8
71.01365	0.4
71.04979	0.4
73.02911	2.3
77.90491	0.3
79.05498	1.7
79.81322	0.3
81.03417	4.1
81.07059	2.0
83.04999	0.8
83.08617	1.4
85.02911	5.9
85.03379	0.5
91.03947	2.7
91.05489	3.1
92.11422	0.3
93.07052	1.7
95.04993	2.1
95.08618	0.8
96.16415	0.4
97.02892	3.0
97.06538	0.7
99.04488	0.7
101.02395	1.3
103.03944	0.4
105.07050	1.5
107.04973	0.5
107.08662	0.4
109.02905	0.8
109.10067	0.3
111.08102	0.6
113.05982	0.4
119.08578	2.1
121.10174	0.8
123.08073	0.3
125.08894	0.4
127.03960	1.2
129.07030	0.6
131.08601	1.0
133.10173	1.3
147.11713	1.3
149.09756	0.5
157.10222	1.0
175.11249	0.8
185.04309	0.6
193.12212	2.2
203.05418	0.4
211.13394	0.8
243.08389	1.7
251.12599	1.7
285.17145	0.5
298.28033	0.3
307.15298	0.6
469.20532	11.4
470.21088	1.0
697.34064	100.0
698.34424	17.1
698.46729	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	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05514	0.8
57.03442	2.1
61.02929	4.0
65.53133	0.5
67.05518	2.9
67.25993	0.4
69.03429	2.8
69.07109	0.5
71.05020	0.7
71.30006	0.8
72.33553	0.6
73.02923	2.3
74.26165	0.5
79.05489	3.0
81.03417	5.4
81.07069	2.2
83.04980	1.2
83.08617	2.6
85.02916	5.5
91.03971	2.3
91.05478	3.3
91.44622	0.5
93.07070	2.0
95.04984	1.9
95.08619	1.1
97.02901	3.0
97.10184	0.8
99.04511	1.0
101.02392	1.7
103.05470	0.8
104.27943	0.6
105.07023	3.4
107.04953	1.3
107.08592	1.0
109.02919	1.5
109.06543	0.8
109.10159	0.6
111.08070	0.6
119.08576	2.4
121.06532	2.1
121.10223	1.2
127.03935	1.1
129.06984	0.9
131.08601	1.2
133.02856	0.8
133.10120	1.1
136.07658	0.5
137.06027	2.1
145.10170	0.5
147.11742	2.0
157.10179	1.5
166.23560	0.5
167.07060	0.6
175.11160	1.3
179.83701	0.5
185.04236	0.8
193.12225	3.9
193.40518	0.5
211.13388	1.4
215.14220	0.5
243.08359	2.5
251.12540	3.6
287.01935	0.6
303.05209	0.9
307.15176	1.1
469.20401	14.7
470.21005	1.1
470.83310	0.5
494.34744	0.5
535.28607	1.2
560.40607	0.6
619.72290	0.6
659.63318	0.6
679.33423	1.1
697.34058	100.0
698.23059	1.0
698.34424	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	697.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06158	1.2
54.18372	1.1
55.05496	1.3
57.03448	2.8
61.02931	8.9
63.71046	1.3
67.05515	13.4
69.03433	3.8
69.07066	2.8
73.02904	3.2
74.03241	1.0
79.05493	1.3
81.03426	2.6
81.07074	6.8
81.74171	1.2
83.08621	1.3
85.02916	5.6
90.53722	1.2
91.03963	5.2
91.05478	3.6
93.07064	5.0
95.08627	1.8
96.01924	1.3
97.02930	7.6
101.02377	3.6
101.17914	1.3
105.07027	2.5
107.08642	2.2
109.10181	7.3
117.07060	1.6
159.11745	1.4
162.91629	1.2
173.11789	3.1
185.04260	3.0
195.09920	1.6
199.05701	1.6
201.03786	1.9
211.29512	1.2
229.14467	1.6
235.12875	1.6
243.08426	4.8
282.22525	1.2
286.99219	1.6
293.29007	1.3
301.08923	7.9
315.10327	2.3
369.15042	2.2
371.16687	3.6
373.11035	2.1
385.18088	1.6
413.17752	14.7
414.18097	2.0
425.21536	3.5
429.17163	2.7
453.21042	9.8
463.26270	1.9
485.19507	6.2
499.21600	4.1
513.23352	1.7
541.26172	4.9
553.29272	1.3
567.31543	22.6
568.31616	3.9
596.31659	6.6
597.32159	2.4
599.35016	3.8
625.31976	100.0
626.32001	12.8
628.30438	6.8
651.33630	8.1
669.34027	1.9
697.34082	39.0
698.34265	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	697.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68458	0.7
55.05511	1.7
55.87803	0.9
57.03440	2.8
61.02920	6.4
67.05509	11.9
68.00883	0.8
69.03426	4.7
69.30953	5.3
71.04993	1.0
73.02915	5.3
79.05489	2.2
81.03430	2.3
81.07056	4.7
83.01130	1.0
83.04973	1.3
83.08636	1.4
83.97777	0.9
84.76771	0.8
85.02903	7.1
91.03988	4.8
91.05479	3.4
93.07040	3.0
95.08613	1.2
97.02886	5.2
101.02383	3.0
105.07064	1.0
107.08576	1.9
109.02874	1.3
109.10164	10.1
111.08123	1.0
119.08600	2.1
121.10165	1.2
127.03945	2.5
144.82814	0.9
146.48659	0.9
147.79416	1.0
168.04486	0.8
172.72273	0.9
173.11784	3.3
185.04219	2.9
201.03697	1.8
203.05403	1.4
221.11670	1.0
229.14336	2.3
243.08533	3.9
260.71933	0.9
301.08923	5.7
315.10538	2.7
369.15219	1.6
371.16751	4.2
373.11163	2.5
385.18344	2.3
389.26694	1.4
413.17822	24.5
425.21481	3.8
429.17529	1.2
438.86417	0.9
453.20981	5.6
463.26556	2.3
469.20886	1.0
483.21667	1.7
484.22626	2.0
485.19846	8.9
497.23651	1.4
499.21701	2.8
516.21594	1.1
541.26660	4.1
553.29443	2.6
567.31409	24.0
568.31921	3.3
581.29620	1.1
596.31628	6.1
597.31775	2.5
604.52893	0.9
625.31934	100.0
626.32245	13.9
628.30664	6.2
651.33405	9.9
652.33679	1.6
653.34845	1.9
697.33990	33.4
698.34308	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	697.3766
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
50.26924	0.3
53.03942	0.6
55.01867	0.8
55.05507	0.9
57.03445	1.7
59.73765	0.3
61.02929	3.9
67.05505	4.9
69.03428	2.9
69.07060	1.4
71.01363	0.4
71.04990	3.4
73.02921	3.3
79.05505	2.7
79.05946	0.4
81.03427	1.9
81.07063	7.6
83.08626	1.2
85.02908	3.9
85.06544	0.7
87.04471	0.4
91.03969	2.5
91.05483	3.0
93.07050	3.6
95.04955	0.4
95.08618	1.3
97.02899	4.2
97.06550	1.3
97.10303	0.3
99.04497	0.8
101.02389	1.8
103.03982	0.3
105.07043	0.9
107.08617	2.3
109.02871	0.7
109.10183	0.9
111.08086	0.6
117.06998	0.8
119.08585	0.4
121.10152	1.4
123.11739	0.9
127.03930	1.2
131.08588	0.9
133.10136	1.7
135.11749	0.7
149.13246	2.2
151.11188	0.8
159.11748	1.1
175.23944	0.3
183.13826	0.4
185.04259	0.6
187.13330	0.4
195.13834	0.8
203.05226	0.5
235.13136	1.2
243.08344	2.1
257.17566	0.9
267.15747	1.2
269.17499	0.6
291.15674	0.7
323.18390	0.5
335.33124	0.4
337.36789	0.3
340.44562	0.3
441.20599	0.4
447.83990	0.3
453.20993	8.2
454.21274	0.5
485.23627	8.1
486.23999	0.6
625.31793	1.0
697.37671	100.0
698.37939	15.0
712.74353	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	697.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36779	0.3
53.03934	0.3
55.01872	0.7
55.05518	1.3
56.85478	0.3
57.03442	1.8
61.02933	6.1
63.01057	0.3
67.05507	5.3
69.03436	2.9
69.07079	1.7
71.01360	0.5
71.04993	3.3
73.02919	4.0
79.05495	3.1
81.03422	2.0
81.07063	6.8
83.04990	0.8
83.08618	1.6
85.02910	5.7
85.06563	0.6
87.04471	0.6
91.03966	3.9
91.05485	2.3
91.57363	0.3
93.07058	3.8
95.08601	1.6
95.80914	0.3
97.02907	4.7
97.06544	1.2
98.23476	0.7
99.04456	0.9
101.02393	1.9
103.03934	0.5
105.07056	1.3
107.08586	2.5
109.02894	0.9
109.10172	1.8
111.08095	0.5
115.03976	0.3
117.07031	0.8
119.08602	0.4
121.06506	0.4
121.10191	0.8
121.63631	0.4
123.11741	0.9
125.45943	0.3
127.03923	2.1
131.08604	0.8
133.10168	2.7
135.11745	0.9
145.04994	0.5
149.13303	1.1
151.11220	1.2
159.06761	0.4
159.11765	0.8
177.12842	0.4
183.13823	0.5
185.04247	0.8
187.13347	0.5
195.13875	1.4
203.05321	0.7
233.57333	0.4
235.13103	1.3
243.08368	2.6
257.17670	0.4
259.08008	0.4
267.15829	1.4
269.17490	0.9
301.08945	0.4
323.18472	0.5
371.16592	0.4
413.17902	2.1
425.21664	0.5
453.20947	7.5
454.21667	0.8
485.23856	7.2
541.26147	0.5
567.31488	2.7
568.32214	0.5
596.32172	0.9
625.31873	9.2
626.32349	1.2
628.19434	0.4
628.30579	0.8
651.33990	1.0
697.37683	100.0
698.37994	13.8
698.50226	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	697.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05374	0.7
60.05652	10.3
70.06595	12.5
71.28432	0.5
71.61723	0.4
72.08160	0.8
112.08711	1.3
116.07095	9.8
130.09756	4.3
157.10812	0.8
158.09270	4.6
175.11909	100.0
176.12344	2.0
213.07451	1.4
223.19850	0.4
231.07722	0.6
249.08531	0.4
263.05923	0.4
269.14462	0.7
338.02133	0.6
349.00153	0.9
349.23022	11.8
371.20090	0.6
523.11420	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	698.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.05516	29.4
57.03432	7.0
57.07088	17.0
61.02933	29.7
65.03943	1.6
67.05508	36.3
69.03434	2.4
69.07076	47.6
69.63591	7.6
71.05006	3.2
71.08641	9.8
73.02922	8.9
75.04494	3.1
79.05495	18.2
81.07066	43.7
83.04993	2.2
83.08628	40.5
85.02908	36.5
85.06569	2.7
85.10194	7.1
87.32058	1.5
91.03960	28.6
91.05537	1.8
93.07059	24.2
94.49673	1.9
95.04949	2.6
95.08614	51.4
97.02903	16.0
97.06534	7.5
97.10180	25.5
107.08590	15.8
109.10165	26.2
111.08102	6.9
111.11742	6.5
112.07608	1.5
113.06011	4.8
115.03930	3.1
116.29840	1.7
121.10155	39.9
121.11022	2.7
123.11714	9.6
125.09603	3.2
127.03963	9.9
135.11707	35.5
137.13264	2.9
139.11224	3.8
145.04962	15.6
149.13255	16.5
151.14842	6.4
153.12782	3.4
163.06035	27.5
163.14856	6.9
165.16397	4.8
173.08119	1.9
181.70863	1.8
191.17920	2.5
225.04317	2.3
225.37105	1.7
227.93817	2.4
247.24243	40.5
265.25281	100.0
266.25684	4.6
283.26324	21.3
339.28973	86.4
340.29480	7.9
340.94662	1.5
357.25800	3.3
357.30002	50.7
358.30325	3.8
442.26443	1.8
671.52795	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	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05512	28.3
57.03210	0.9
57.03447	7.9
57.07079	17.2
60.92157	1.1
61.02930	24.9
67.05508	37.0
69.03413	2.9
69.07071	46.8
70.07410	1.4
70.56744	2.2
70.57076	1.6
71.04990	2.9
71.08632	12.4
73.02905	8.5
75.04475	2.7
79.05498	18.0
81.03416	2.2
81.07060	45.8
82.07388	1.2
83.04972	2.0
83.08148	2.5
83.08624	38.0
83.09124	1.8
85.02910	31.2
85.06543	3.9
85.10187	5.4
87.04481	1.8
91.03962	25.8
91.05480	2.2
93.07041	23.4
93.07622	1.1
95.04977	3.1
95.08611	43.9
97.02895	13.2
97.06525	8.2
97.10172	27.2
99.04453	1.7
99.08083	2.6
106.12196	1.1
107.08602	12.2
109.10163	21.6
111.08098	7.7
111.11715	8.9
112.07607	4.3
113.06022	4.5
113.09689	1.5
115.07564	1.2
121.09300	2.6
121.10151	38.8
122.10486	1.5
123.10913	1.1
123.11697	7.1
125.09634	3.5
125.13287	1.5
127.03920	7.5
135.11697	33.3
136.12045	1.6
137.13266	4.2
139.11189	3.9
145.04948	13.8
149.13257	13.4
151.14836	5.3
153.12698	2.8
163.06026	21.5
163.14786	5.6
165.16389	2.9
167.14352	1.6
177.16425	2.2
181.15875	1.5
185.15367	1.4
191.17928	1.6
215.59210	1.2
223.15569	1.2
227.20155	1.6
247.24217	40.3
248.24446	1.4
259.06226	1.2
265.25266	100.0
266.25735	5.4
283.26303	21.6
284.26633	1.5
339.28943	98.8
340.29251	8.9
357.29977	48.5
357.34482	1.7
358.30353	3.1
363.53638	1.2
501.34012	4.2
557.36432	1.2
596.82416	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	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01873	12.7
55.05516	42.7
57.03445	11.4
57.07074	14.5
65.03947	7.1
67.05510	99.7
69.03442	9.3
69.07072	44.6
71.05008	7.0
71.08640	12.5
79.05503	54.5
81.03412	27.2
81.07066	100.0
83.04981	15.3
83.08630	38.6
85.06570	8.7
85.10199	34.4
91.05494	54.1
91.06019	7.3
93.07055	64.0
95.04980	29.2
95.08611	49.9
97.06553	14.7
97.10187	9.1
98.22606	14.2
99.08110	19.7
105.07030	41.0
107.04966	11.1
107.08597	36.5
108.21067	4.5
109.06525	12.4
109.10149	25.2
110.32021	4.7
111.08090	23.2
113.09641	35.1
117.07032	14.4
119.08589	30.2
120.96667	13.3
121.10144	28.0
123.08121	9.4
123.11747	12.2
129.07024	8.0
131.08580	18.1
133.10158	30.9
135.11713	12.1
139.11221	5.5
145.10136	12.0
147.11659	28.5
149.09637	9.4
149.13251	17.3
151.11209	16.1
159.11687	10.6
161.13326	6.3
163.11205	8.6
165.12775	49.1
175.11278	7.1
178.41472	4.3
179.14320	11.9
185.13297	6.5
193.93723	5.1
195.13847	6.6
228.80777	5.2
229.14322	5.3
236.14995	8.9
249.22136	8.0
259.20618	8.2
269.17505	43.4
276.20416	6.9
277.21649	95.1
278.21936	10.8
294.21844	4.8
295.22684	75.5
296.22894	5.4
351.25269	86.1
352.25497	7.8
365.57169	4.7
369.26346	59.8
370.26923	5.1
529.38867	18.5
545.38501	29.0
551.37103	83.1
563.39307	35.0
600.50702	5.4
601.40533	27.9
627.45569	19.5
645.47040	21.3
649.34625	53.6
663.47913	8.9
698.40521	6.4
699.43408	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	698.52
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44693	2.0
53.03944	2.8
55.01874	14.8
55.05512	28.2
57.03429	8.1
57.07081	26.1
59.28364	2.3
65.03942	3.3
67.05511	55.9
69.03436	2.8
69.05661	18.0
69.07073	23.6
71.04987	4.1
71.08631	14.2
78.78930	2.3
79.05497	41.8
81.03422	7.6
81.07059	61.1
83.04974	11.4
83.08623	24.2
85.06554	3.3
85.10184	49.3
86.26794	1.9
91.05479	44.5
93.07042	40.5
95.04969	20.3
95.08613	45.7
97.06536	12.2
97.10155	6.5
99.08090	11.1
105.07027	31.2
107.04951	18.3
107.08592	27.3
109.06510	7.1
109.10146	15.9
111.08079	20.0
113.09648	46.6
117.07013	5.4
119.05175	2.4
119.08589	23.8
121.10136	16.1
123.08053	10.9
123.11707	7.6
125.09607	2.7
129.07013	6.4
131.08577	10.8
133.10126	23.2
135.11693	7.6
137.09665	2.9
137.13170	2.2
139.11205	3.0
142.07776	2.4
143.08617	3.0
145.10120	4.8
147.08105	2.6
147.11676	25.5
149.09619	17.2
149.13258	9.3
151.11221	10.9
153.12761	4.1
157.10139	7.0
159.11676	4.4
161.09618	2.4
161.13281	6.9
163.11157	12.9
163.14818	2.7
165.12759	63.2
165.14095	4.1
171.11768	4.9
173.13246	2.8
175.11223	9.6
175.14845	5.6
179.14322	10.5
181.12308	3.0
185.13237	2.8
187.13356	5.4
189.12665	3.2
207.13759	2.5
217.19531	2.5
221.15414	2.7
231.21144	4.3
241.19563	5.1
249.22147	5.4
259.20615	8.2
264.26794	2.5
277.21634	89.4
278.21887	5.9
295.22659	34.7
351.25293	100.0
352.25632	8.0
369.26373	83.9
369.36890	2.1
370.26740	8.5
417.59445	2.4
463.33804	2.8
479.38574	2.2
553.42737	2.7
627.46173	32.1
628.45972	4.9
630.23798	2.3
645.47217	25.3
646.47266	5.1
663.48187	18.9
699.42749	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	698.52
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01874	11.8
55.05272	2.4
55.05514	27.5
57.03433	7.0
57.07080	16.5
58.06593	4.7
60.81037	1.5
65.03941	3.0
67.05507	45.3
69.03428	2.3
69.05106	4.8
69.05534	8.1
69.07080	17.7
71.04963	2.7
71.08620	10.3
79.05492	25.8
81.03421	11.2
81.07057	49.2
83.04963	9.5
83.08620	15.6
85.06551	3.7
85.10191	31.0
91.04958	3.1
91.05478	28.0
93.07049	25.9
95.04982	13.9
95.08611	30.4
97.06533	6.3
97.10160	6.4
99.08087	9.1
105.07037	23.5
106.56128	1.4
107.04948	10.7
107.08596	16.5
107.59917	1.7
109.06512	7.1
109.10153	20.5
111.08089	13.3
113.09640	32.6
117.07030	4.1
119.08595	15.0
121.10145	14.3
123.08062	5.4
123.11707	9.4
125.09600	3.5
126.11261	1.8
129.07025	4.2
131.08549	5.3
133.06516	2.5
133.10139	17.3
135.08040	2.0
135.11697	6.4
137.09618	3.0
139.11166	2.8
141.78506	1.7
143.08583	2.6
144.10255	1.8
145.10020	3.5
145.25923	2.0
147.11661	16.2
149.09637	8.1
149.13249	7.4
151.11198	11.8
153.12802	2.9
157.10068	2.1
159.11674	2.9
161.13260	6.9
163.11147	7.1
165.12761	50.1
167.14375	2.2
171.11725	2.9
175.11157	4.6
175.14879	3.3
178.09183	1.6
179.14282	4.6
181.12122	1.7
187.13266	2.0
189.12669	2.3
193.12274	1.9
207.13896	3.1
221.15298	2.0
231.21031	2.6
236.14954	13.0
249.22119	4.0
259.20627	6.4
274.85455	1.5
277.21643	89.2
278.22018	5.9
295.22675	100.0
296.23013	6.8
333.24176	2.1
351.25305	60.3
352.01389	1.6
352.25687	4.5
369.26382	73.5
370.26593	5.3
421.82938	2.0
456.36530	2.1
460.25262	1.8
463.34622	2.6
467.63513	1.8
474.37524	2.0
515.36774	3.7
529.38684	3.0
551.37103	4.7
569.03217	2.0
601.41040	4.0
627.46124	19.9
628.45886	3.0
639.35651	2.2
645.47223	22.8
646.47253	4.4
649.34875	2.4
663.48236	20.3
698.48358	10.7
699.44025	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01606	0.8
55.01874	24.3
55.05514	36.3
57.03449	6.8
57.07084	6.1
62.51191	0.8
63.75527	0.8
65.03956	1.6
67.05507	44.9
69.03114	7.1
69.03448	1.4
69.07070	20.4
71.05003	3.7
71.08635	22.7
73.06554	1.4
79.05498	28.8
81.03435	4.4
81.07062	60.4
83.04982	11.3
83.08625	27.2
85.06544	3.9
85.10189	6.9
91.05486	31.7
93.07047	29.7
93.90276	0.8
95.04968	10.9
95.08611	34.2
97.06528	11.7
97.10182	3.8
99.08097	15.9
104.24731	0.8
105.07035	26.6
107.04980	4.6
107.08604	18.9
107.09288	1.3
109.06519	6.4
109.10157	10.2
111.08089	28.5
113.06033	1.0
113.09646	13.1
117.07022	3.4
119.08585	20.8
121.06511	1.5
121.10156	16.0
123.08047	4.3
123.11714	9.4
125.09615	2.5
126.44210	1.0
127.07485	1.0
127.11189	1.3
129.07011	5.8
131.08574	5.4
133.10132	17.3
135.08028	1.5
135.11713	9.3
137.09648	3.0
137.13275	1.8
139.11201	4.6
143.08606	2.7
145.10139	4.4
147.08066	1.5
147.11691	24.6
149.09634	8.6
149.13266	9.8
151.11179	12.1
153.12749	4.1
157.10112	4.2
159.11729	3.6
161.09700	1.0
161.13275	8.6
163.11179	5.4
163.14809	1.9
165.12764	23.0
167.10664	1.2
167.14233	1.3
171.11697	3.5
173.11864	0.8
173.13315	1.5
175.11208	3.2
175.14894	3.3
177.12837	1.8
179.14305	8.4
181.12215	1.0
185.13297	2.9
189.12741	2.4
193.12257	1.7
193.15891	0.9
207.13834	1.6
221.15329	2.3
231.21120	2.6
241.19521	2.3
249.22137	5.4
259.20584	7.9
277.21628	96.6
278.21957	6.8
295.22672	22.4
296.23111	1.7
315.39221	0.8
334.37491	1.0
351.25317	63.2
352.25586	5.5
369.26373	100.0
370.26770	7.1
463.34442	2.4
582.40686	0.8
627.46191	17.8
628.46216	3.0
645.47180	20.2
646.47296	3.4
663.37744	1.6
663.48315	25.4
664.48340	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	698.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
53.99783	1.5
55.01860	2.9
55.05521	11.6
57.03438	5.7
57.07074	3.3
67.05510	60.4
67.84566	2.2
69.07065	15.7
69.37250	8.0
69.37677	4.3
71.04998	9.7
71.08641	4.9
77.98753	1.8
79.05490	22.3
81.07062	54.3
82.07406	2.0
83.04953	2.6
83.08619	11.2
85.06553	2.0
91.05459	16.1
93.07037	19.7
95.04989	2.8
95.08605	31.8
95.80639	1.9
97.06525	4.3
97.10176	7.9
97.30999	2.0
99.08071	3.3
101.12976	1.8
104.49823	1.7
105.07028	8.6
107.08581	13.3
109.01987	1.7
109.06543	2.2
109.10152	20.7
111.08096	2.6
112.23573	1.8
117.07038	3.1
119.08592	8.6
121.06433	2.4
121.10142	7.7
121.40270	1.8
123.11674	5.7
125.09634	3.0
131.08548	4.1
131.97873	2.4
133.10127	6.3
135.07979	1.8
135.11699	3.2
140.54146	2.2
145.10121	2.3
147.11722	3.0
149.13268	5.8
149.31531	1.9
159.11673	3.5
161.13315	3.3
167.05606	2.5
173.11827	2.8
227.12820	8.7
229.14368	22.1
263.23703	3.0
277.21579	3.6
337.27362	22.2
351.25183	6.1
399.01959	2.1
491.37155	15.3
531.40527	100.0
532.40771	13.0
600.50269	2.5
613.48254	4.7
706.27057	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	699.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.5
51.02386	1.0
53.03958	0.7
54.47916	0.2
55.00650	0.2
55.01868	1.5
55.05507	0.6
65.03956	1.2
67.01850	0.2
67.05505	1.5
68.99792	5.7
69.03433	0.5
77.03911	1.4
79.05528	0.3
81.03408	0.3
83.04980	1.0
83.08613	0.2
89.03918	0.4
91.05477	1.0
93.03407	0.8
93.44875	0.2
95.04976	2.0
97.02872	0.6
97.65029	0.2
100.11262	1.1
103.05470	0.7
105.03430	1.9
105.04490	0.3
107.04974	0.8
109.02905	0.3
111.00819	5.1
111.04452	4.1
115.05461	1.7
117.03381	0.5
117.07047	0.5
119.04926	0.6
121.02867	0.8
123.04435	100.0
124.04776	2.9
124.12003	0.2
125.02438	0.3
127.03930	2.1
128.07127	0.3
131.04915	0.8
132.05681	0.4
133.06476	0.6
135.04425	5.2
137.02359	1.1
137.05954	0.5
139.03906	88.5
140.04240	2.5
143.04936	1.7
145.06485	1.1
147.04410	8.6
148.05026	0.3
149.02284	0.2
151.03918	7.0
153.01834	1.5
153.07021	0.3
155.04910	1.1
155.06013	0.3
157.06471	0.4
159.04466	0.4
160.05176	0.6
161.05980	0.9
163.03925	3.7
163.07532	1.1
165.01843	1.0
165.05469	1.0
167.03413	2.4
170.03600	2.5
171.04358	1.8
172.05229	0.4
175.03944	1.7
177.05484	1.0
179.03352	2.1
181.05037	0.3
181.06505	0.5
182.15395	0.9
183.04428	1.2
185.05978	0.8
187.03885	1.7
187.07526	0.4
188.04620	1.5
189.01810	0.3
189.05475	5.6
189.07149	0.3
191.03423	5.6
193.06512	0.3
195.04297	0.3
197.05984	0.6
198.03120	4.2
199.03908	5.3
200.04614	1.1
201.05475	3.1
203.03415	4.2
205.01479	0.3
205.04997	1.3
210.14885	1.1
211.03897	0.9
213.05499	2.0
215.03423	4.6
216.04034	0.8
217.03088	0.4
217.04977	5.5
218.05292	0.5
219.02893	0.3
223.02158	0.5
223.04065	0.7
225.05444	0.6
227.03400	3.4
227.06844	0.5
228.04102	0.8
228.15985	0.3
229.04956	5.6
230.05490	0.3
231.02808	2.0
231.06305	0.5
233.04443	9.9
234.04840	0.4
237.05444	1.1
239.03345	0.4
241.04948	2.4
243.02835	0.8
243.06551	0.4
244.03604	0.6
245.04457	8.9
246.04776	0.4
247.07745	0.3
248.03159	1.6
251.03329	1.1
253.04939	1.8
255.02849	2.8
255.06424	1.4
256.03601	0.9
257.04453	17.2
258.04828	0.9
259.05981	0.5
261.03928	16.6
262.04272	0.6
263.07138	0.4
265.05005	1.2
267.06470	0.9
269.04443	5.6
270.04816	0.4
271.05972	2.5
272.06552	0.5
273.03949	6.4
273.07535	19.3
274.04266	0.4
274.07877	1.2
275.05487	4.4
279.02808	1.1
279.06573	0.8
281.04373	0.9
283.02811	1.2
283.05566	1.2
284.03088	0.5
285.03937	1.6
285.07474	1.1
287.05405	3.9
289.04843	0.7
290.05612	0.3
291.06458	0.5
293.04456	1.0
295.05988	1.0
297.04025	2.7
297.07227	0.5
299.05505	2.9
301.03421	8.6
302.03705	0.4
303.06500	0.4
305.04477	0.3
305.07980	0.5
307.02295	1.3
307.05963	1.5
308.06555	0.3
309.04022	0.4
311.05472	1.3
312.69693	0.3
313.07138	0.3
317.04413	0.8
318.05081	0.3
319.05930	0.7
321.03931	0.7
321.07480	0.5
323.05402	0.8
323.09079	0.4
325.03510	2.8
325.07013	0.5
333.03928	0.3
335.05490	5.2
336.05750	0.4
337.07172	0.5
339.04849	0.6
343.04410	0.3
347.05490	0.7
347.09518	0.7
349.03439	1.6
349.06976	0.5
353.06528	1.6
363.04916	3.5
364.05655	0.4
365.06482	1.1
367.04315	1.7
367.08292	0.6
375.04953	0.5
377.06467	0.6
381.06097	2.3
385.05521	3.4
386.05566	0.4
391.03931	4.3
391.08237	2.0
393.05933	0.9
395.07599	3.6
399.07153	1.8
409.05347	10.8
409.09317	3.8
410.05624	1.2
419.07452	0.4
421.05389	0.5
427.06625	12.2
428.06812	1.2
433.08920	0.5
435.06720	0.4
487.09964	0.4
529.07397	0.4
531.09009	0.8
533.10461	0.6
543.08820	1.0
545.10406	0.5
555.08734	1.1
561.10315	1.8
573.10052	0.7
663.10876	0.8
680.48724	0.3
681.02692	0.3
681.12396	3.9
682.12347	0.6
698.50226	0.9
699.13556	2.1
699.32202	2.2
699.49713	0.4
700.13483	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	699.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.4
70.79950	0.4
71.30623	0.4
72.92704	0.4
77.43572	0.4
89.21996	0.4
91.05484	0.9
93.07092	0.6
97.02895	0.5
99.95354	0.4
103.05441	0.4
105.03412	0.8
109.43517	0.4
117.03403	0.5
119.04964	1.0
121.06522	1.9
123.04465	0.6
125.06001	0.5
137.06003	0.9
139.03891	2.7
139.59427	0.4
145.02863	0.8
147.04439	2.7
153.01837	0.5
163.07637	0.4
177.05476	2.7
181.05000	0.9
187.03842	0.4
187.07507	0.4
205.04736	0.4
221.08134	0.4
245.06549	0.5
259.05704	0.6
279.08789	0.5
313.06812	4.8
331.08008	0.6
379.08240	0.4
477.11667	4.6
495.12625	7.2
496.13120	1.2
506.19504	0.6
538.21045	0.5
605.88513	0.5
699.18896	100.0
700.19287	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40429	0.3
50.41359	0.3
57.27446	0.3
60.88748	0.3
64.47081	0.3
67.05508	1.0
69.07037	0.4
70.42536	0.7
79.05502	0.9
81.03416	0.4
81.07070	1.0
83.08641	0.3
87.04468	0.4
89.96529	0.3
91.05497	0.4
93.07065	0.8
95.04977	0.3
95.08636	0.6
100.40273	0.3
105.07024	0.5
107.08633	0.4
109.10184	0.4
119.08608	0.3
145.10153	0.4
147.00104	0.3
149.02428	0.5
159.11838	0.3
181.31512	0.3
184.07391	0.3
185.04311	0.7
193.04970	0.5
194.79816	0.3
196.91438	0.3
203.05333	0.4
223.47981	0.3
259.08081	0.6
263.52112	0.3
281.17490	0.4
301.20123	0.5
339.86612	0.4
347.09616	1.2
488.31396	0.4
537.30310	16.2
538.30841	1.7
699.35583	100.0
700.35925	14.1
700.48383	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	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01863	0.4
55.05511	0.4
57.03439	1.7
58.19289	0.3
59.05001	0.7
61.02928	3.4
67.05505	3.3
69.03426	1.9
69.07084	0.7
71.05000	1.2
71.07259	0.7
73.02925	2.3
79.05495	3.0
81.03424	2.7
81.07053	2.3
83.04999	0.6
83.08628	0.6
85.02916	3.4
85.06568	0.6
91.03967	1.8
91.05474	3.0
93.07050	3.4
95.04977	1.3
95.08612	1.1
97.02910	2.6
97.06544	0.6
97.10150	0.6
99.04460	0.5
101.02394	1.7
103.03914	0.3
103.05488	0.4
105.07045	1.1
107.08610	1.8
109.02902	0.8
109.06568	0.6
109.10188	0.6
119.08598	1.0
121.06545	1.4
121.10143	1.3
127.03934	0.9
129.06976	0.7
131.08598	0.8
133.10129	0.9
135.11703	2.3
136.07564	0.7
137.06015	1.2
145.06487	0.4
145.10130	0.4
146.31444	0.3
147.11719	0.8
149.06024	0.3
149.09657	1.1
157.10170	0.8
158.44711	0.3
181.12267	0.4
185.04213	0.4
191.07076	0.3
193.12332	1.4
202.44046	0.3
203.05287	0.4
221.11534	0.6
225.14908	0.4
243.08379	2.0
255.16028	0.6
267.16049	0.5
283.15204	2.6
339.17801	0.6
370.67926	0.4
410.21085	0.3
439.19418	7.6
440.19403	0.4
469.20786	0.7
471.22379	0.4
501.23053	7.6
502.23813	0.8
537.30444	0.4
681.34448	0.5
699.35626	100.0
700.35944	13.0
723.30579	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91724	0.3
53.03948	0.5
55.01879	0.6
55.05503	0.8
57.03434	1.4
61.02933	3.6
67.05508	3.0
69.03429	2.6
69.07056	0.8
70.53444	0.8
71.05006	1.9
71.89438	0.3
73.02919	3.1
79.05507	3.1
81.03416	2.7
81.07057	2.6
83.04967	1.0
83.08621	0.8
85.02915	5.0
91.03966	2.5
91.05479	3.1
93.07035	2.7
95.04975	1.0
95.08619	1.3
97.02904	3.6
97.06519	0.5
99.04439	1.0
101.02414	1.7
103.03946	0.7
105.07042	1.4
107.04939	0.6
107.08624	1.2
108.31756	0.4
109.02925	0.7
109.10166	1.6
109.73880	0.4
111.08098	0.4
119.08612	1.6
121.10160	1.0
127.03937	1.1
129.07005	0.7
131.08611	0.7
133.10153	1.4
135.11708	1.2
137.09631	1.2
147.11723	0.5
157.10205	1.1
159.11777	0.4
185.04346	0.5
193.12352	1.1
219.64320	0.3
235.13235	0.4
243.08362	2.2
243.16003	0.6
251.12584	1.0
253.14180	1.2
285.17197	0.4
305.37057	0.4
453.21045	2.5
469.20456	6.3
470.20770	0.6
471.22070	3.9
487.21628	1.2
537.29816	0.4
655.32086	0.4
681.34601	1.5
699.35620	100.0
700.35999	15.3
700.48364	0.6
705.18951	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	699.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.05515	6.9
57.03429	1.4
57.07079	2.1
65.03946	1.4
67.05508	23.2
69.07066	5.4
69.46080	0.9
70.81484	2.4
71.05006	1.7
79.05505	11.5
81.03421	24.9
81.07061	24.6
83.04988	2.2
83.08616	6.7
91.05477	9.8
93.07034	9.2
93.07493	1.1
95.04971	6.4
95.08612	15.4
97.06567	1.9
97.10170	2.4
99.08112	1.1
102.02005	0.9
103.40269	0.9
105.07043	8.0
107.04955	2.0
107.08570	5.0
109.10168	4.4
111.08073	1.8
119.08573	6.5
120.96644	20.6
121.10130	5.7
123.11701	2.3
129.07014	3.4
131.08617	2.3
133.10159	3.0
135.11732	1.4
147.11696	2.7
149.09695	1.7
157.10152	3.1
175.11179	2.4
193.12219	3.1
195.00294	1.8
206.98012	1.1
210.12070	1.0
267.15918	2.0
313.27347	1.5
314.69888	1.0
323.18365	1.6
369.10986	1.4
387.11288	1.2
402.36111	1.1
439.22095	1.7
493.98370	1.0
529.30988	1.2
529.38879	23.3
530.39136	3.8
551.37079	100.0
552.37384	15.4
601.40747	53.4
602.41071	8.0
649.34735	47.5
650.34912	9.2
699.40143	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	699.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01877	0.6
55.05512	2.3
57.03426	1.0
57.07082	0.6
59.61705	0.5
60.08175	0.8
67.05514	5.2
69.07079	2.3
69.26900	2.3
69.27306	1.0
70.93281	0.5
71.07397	0.7
77.44907	0.6
79.05491	3.6
81.03427	0.7
81.07057	8.6
82.07464	0.6
83.04998	0.8
83.08650	1.5
86.09707	4.6
91.05499	2.8
93.07032	3.6
95.04972	0.7
95.08621	2.3
97.06542	0.7
99.08133	0.6
105.07063	1.9
107.04958	0.8
107.08588	2.6
109.06540	1.2
109.10163	1.1
119.08604	1.8
121.10167	1.1
123.11665	0.6
125.00017	3.9
131.08600	0.7
133.10123	1.2
136.06180	0.8
147.11739	1.3
182.36772	0.5
184.07353	19.3
236.14958	0.8
277.21646	1.0
296.23129	0.6
333.20367	9.6
351.25558	0.6
353.61008	0.5
389.22952	8.0
389.27731	0.8
390.23044	0.8
463.49063	0.5
546.39081	0.7
551.35693	0.6
571.36743	0.7
601.35645	0.6
699.44385	100.0
700.44733	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.3
56.19453	1.1
58.67752	1.0
61.34829	1.0
67.05511	2.7
69.49665	7.3
70.37780	1.1
74.08260	1.1
79.05491	2.5
81.07047	5.7
91.05494	1.5
93.07070	2.5
95.05020	1.2
95.08636	2.4
107.08642	2.4
108.01253	1.1
121.10120	1.3
125.09655	1.1
145.10243	1.4
160.79741	1.1
184.07365	5.4
229.69884	1.2
251.19234	1.2
253.97896	1.2
296.16803	1.1
322.50607	1.4
333.20483	12.4
389.23108	6.2
456.22174	1.3
699.44434	100.0
700.44684	17.9
706.27557	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	699.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
55.28416	0.7
57.04656	0.7
60.08148	1.4
66.98425	0.9
67.05510	5.1
69.07069	2.7
70.06685	0.8
71.28147	0.7
72.66825	0.7
79.05516	3.8
81.07059	6.3
83.05028	0.8
83.08653	1.5
86.09727	3.5
88.95367	0.7
91.05505	3.1
93.07045	4.2
94.07384	0.8
95.08643	3.1
97.06564	0.9
103.52041	0.8
105.07023	4.3
107.04946	1.0
107.08594	3.9
109.06520	0.8
109.10159	1.9
111.04482	1.7
117.07031	1.4
119.08614	3.1
121.10152	2.5
125.00020	2.8
131.08575	1.8
133.10101	1.3
135.11629	1.2
136.06203	1.6
145.10164	1.7
147.11688	1.3
149.09689	1.2
157.10136	1.2
163.11215	0.9
169.73764	0.9
184.07373	12.6
333.20380	12.1
380.56494	0.8
389.22943	8.3
699.44415	100.0
700.44659	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01861	2.3
65.03943	30.9
65.04287	1.6
67.05505	3.9
70.03156	1.9
74.55320	0.6
74.66693	0.6
75.04455	1.0
77.03951	0.7
79.05492	2.0
81.03407	1.1
82.04192	6.4
85.02881	1.1
91.04967	1.1
91.05484	14.5
93.03412	15.1
93.07042	6.7
94.04192	1.0
95.01330	6.6
95.04945	4.6
97.06519	0.7
103.05462	6.1
105.03375	1.6
105.04488	0.9
105.07006	1.5
107.04956	4.6
108.02091	3.0
110.03664	28.8
111.04453	28.4
115.05457	1.7
117.07006	1.2
119.04949	8.3
120.05732	42.3
121.02876	11.4
121.03877	1.2
121.06519	30.7
122.03645	1.3
123.04412	2.1
125.05992	30.4
126.06248	0.6
131.04942	1.5
133.02869	4.4
133.06464	1.0
135.04391	1.1
136.07581	14.2
137.05983	16.5
138.03149	2.5
140.04716	0.8
143.04910	1.0
144.05634	0.9
145.06511	3.1
147.04424	6.0
147.08043	0.6
149.02359	4.3
149.05946	1.7
150.03012	0.7
151.03929	1.0
151.07542	1.5
153.05469	100.0
154.05775	3.4
155.04883	0.7
158.03658	1.0
159.04395	1.0
161.06012	2.1
163.03888	1.3
163.07530	1.0
164.04640	0.7
164.07021	3.9
165.05440	2.0
165.07005	1.6
167.07034	10.4
173.05968	2.7
175.07539	2.4
177.05482	2.0
177.06956	0.8
178.07750	1.7
179.07082	1.3
179.08519	1.5
181.05031	3.1
181.06453	0.9
185.06032	0.8
186.03102	0.6
187.07559	2.3
189.05502	0.9
189.07025	1.1
191.07031	1.4
191.08624	1.5
192.06038	0.5
193.06467	0.9
194.07323	3.1
195.07950	1.6
201.05441	11.9
202.05959	0.6
203.06970	1.0
205.06551	3.7
206.07294	1.4
207.08015	2.9
208.08827	0.8
209.06198	0.7
209.09660	2.3
211.07513	1.0
213.05438	4.3
217.06645	0.7
218.07162	1.1
219.08081	2.4
220.05168	1.2
221.05905	3.0
222.06772	6.0
223.07497	3.2
224.08385	1.1
229.04953	2.4
231.06479	4.3
232.05057	0.8
233.06012	2.8
234.06738	3.8
235.07628	5.4
236.08328	1.7
237.05612	0.8
237.09099	9.5
239.07104	0.9
239.10696	1.1
240.92683	0.7
246.06883	1.0
247.07616	3.1
248.04819	1.6
248.08203	1.3
249.05482	2.3
249.09204	1.1
250.06279	9.2
250.08644	0.7
251.06989	5.3
251.10750	0.6
252.07803	1.9
253.08466	0.8
254.05591	0.6
260.04675	0.6
261.05463	1.2
261.09055	0.7
262.06018	1.2
262.09943	0.8
263.07013	7.2
264.07669	2.8
265.08609	17.2
266.09070	1.2
267.06528	1.7
267.10129	2.0
268.07181	1.0
274.06055	0.7
275.06992	2.3
276.07608	1.3
277.05075	0.7
277.08569	1.7
278.05719	4.6
278.08307	1.2
279.06506	5.9
279.09372	1.2
280.07077	1.4
281.08142	2.5
282.08618	1.3
282.11539	2.8
283.09525	0.9
290.05762	1.8
291.06531	4.6
291.09421	0.8
292.07108	2.0
293.08096	20.8
294.07953	6.9
295.08685	5.1
296.09323	1.3
297.11084	1.3
300.12350	1.9
302.05649	1.0
303.06525	3.0
304.06763	1.1
305.04678	1.1
305.08023	2.4
305.11356	0.7
306.07816	1.5
307.05942	2.7
307.09116	2.9
308.06195	1.0
308.09268	1.9
309.07315	0.8
309.10785	1.0
310.07709	1.0
310.11053	4.1
319.06073	0.8
320.06699	2.4
321.07529	6.8
321.10995	1.3
322.08191	5.6
323.09137	8.6
324.09018	2.3
325.10660	5.3
325.14334	1.7
327.12042	1.3
328.11530	0.9
333.07706	1.7
335.09106	6.5
336.09247	0.9
337.10550	1.8
337.14362	1.3
338.10358	8.8
339.11978	4.7
340.12302	0.7
351.08359	1.0
351.12234	1.1
353.10226	18.7
354.10242	1.9
355.11786	5.4
357.13028	1.3
365.10178	5.5
367.11774	16.7
368.11951	1.6
380.14890	13.0
381.15240	1.6
385.12775	8.7
406.16391	0.8
414.15393	2.3
428.15067	1.2
430.16562	1.7
458.15991	46.8
459.16327	4.9
460.17587	2.9
462.18854	1.0
474.18997	1.8
476.20532	1.0
488.17136	1.6
490.18619	65.9
491.19028	7.0
492.20013	1.9
502.18701	10.7
503.18341	1.3
520.19202	2.9
522.21637	1.1
640.25256	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	700.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03945	2.0
55.01874	2.2
63.36210	0.5
65.03943	34.2
66.04245	0.5
67.05500	4.5
77.03919	0.8
79.05518	1.5
81.03438	1.3
82.04198	5.8
85.02901	1.4
91.05489	10.2
92.06283	0.8
93.03408	13.2
93.07040	4.2
94.04194	1.2
95.01331	6.1
95.04991	3.8
97.06529	2.2
98.23441	1.4
98.68307	0.5
103.05466	4.0
105.07013	1.8
107.04957	4.1
108.02102	2.5
110.03666	28.8
111.04456	27.9
111.05605	1.0
112.04792	0.7
115.05485	1.4
117.07027	0.8
119.04935	6.3
120.05733	42.4
121.02880	11.2
121.03743	1.0
121.04109	0.7
121.06537	20.9
122.06882	0.7
123.04434	2.4
125.06000	28.6
131.04945	1.3
133.02873	3.1
133.06474	1.1
135.08109	1.1
137.05988	9.3
138.03136	3.7
138.09167	0.8
139.03906	0.8
140.54398	0.5
143.04933	1.1
145.06487	2.7
147.04385	3.5
149.02325	4.5
149.06006	1.0
151.03917	1.6
151.07568	1.1
153.05470	100.0
154.05823	3.0
159.04407	0.8
160.05170	0.7
161.05920	2.1
163.03891	1.7
163.07567	0.6
165.05693	0.7
165.07022	2.1
166.07523	0.6
167.07054	10.6
167.08394	1.2
173.05984	2.9
175.07578	1.7
176.07191	0.6
177.05428	1.7
177.06915	0.8
178.07684	1.2
179.06987	2.0
179.08534	1.5
181.04922	1.9
181.06458	1.4
187.07538	1.1
189.05424	0.9
189.06946	1.1
190.07747	0.6
191.07050	1.4
191.08598	1.4
194.07333	3.8
195.08018	1.7
201.05487	11.5
202.05925	0.7
202.07755	0.6
204.05824	0.7
205.06483	2.4
205.08253	0.7
206.07187	1.9
207.08084	3.1
208.05321	0.7
209.06038	1.1
209.09615	2.5
211.07477	1.1
213.05458	4.8
215.07021	0.7
218.07263	1.3
219.08156	3.0
220.05231	1.2
221.05966	3.1
221.09444	0.8
222.06770	5.3
223.07562	3.3
224.08246	2.1
229.04932	2.0
231.06483	4.4
232.05209	0.8
233.06079	3.0
234.06693	4.5
235.07632	5.0
236.04677	0.7
236.08231	1.7
237.05501	1.6
237.09125	9.4
238.09647	0.7
239.10640	0.8
246.06799	1.3
247.07544	2.7
248.04651	1.4
249.05440	2.2
249.09210	1.1
250.06265	10.3
250.08568	0.6
251.07024	5.1
251.87045	0.6
252.07736	1.3
253.08554	1.2
261.05298	0.8
262.06247	2.0
263.07034	6.1
264.08014	3.4
265.05594	1.1
265.08624	16.0
266.08923	0.9
267.06479	2.1
267.10068	2.0
268.07327	0.7
275.07053	2.5
277.04956	1.9
277.08530	2.3
278.05771	5.6
278.08530	1.3
279.06424	6.3
279.09616	1.9
280.07184	2.4
281.07993	1.8
282.11270	2.5
283.09473	0.8
289.08289	0.8
290.05783	1.4
291.06476	3.9
292.07010	3.3
293.04736	1.3
293.08084	21.3
294.08029	6.0
295.05676	0.8
295.08789	5.0
296.06570	0.8
296.09549	0.6
297.07724	0.8
297.11179	1.7
303.06363	2.6
304.07166	1.3
305.04608	0.8
305.08008	2.1
306.04971	0.8
306.08237	1.2
307.05945	2.7
307.09250	2.4
308.06345	1.0
308.09305	2.0
310.11041	4.9
313.10559	0.7
317.07916	0.7
320.06671	3.2
321.07593	7.3
321.10989	1.3
322.08197	5.2
323.09103	8.5
324.09109	1.2
325.10727	5.5
327.11929	1.0
333.07358	1.8
335.09149	6.8
336.09006	1.6
337.10651	1.3
338.10385	9.7
339.11200	3.3
350.69534	0.7
351.08572	1.3
353.10199	18.1
354.10190	2.2
355.11835	4.9
365.10251	4.9
366.10135	0.7
367.06842	0.7
367.11725	15.7
368.11948	0.7
380.14951	15.4
381.15298	1.3
385.12790	8.2
414.15561	2.0
416.14230	0.7
428.14709	1.0
430.16309	2.3
458.15982	45.6
459.16217	3.8
460.17331	2.5
462.18878	1.7
470.15851	1.3
474.18616	1.8
488.16669	1.1
489.17902	0.6
490.18637	68.6
491.19022	8.2
492.19937	1.8
502.18591	12.5
503.19003	1.6
520.19427	2.3
522.20905	1.2
640.24951	1.3
662.27490	0.7
670.25787	1.1
700.30988	0.7
701.33130	0.9
728.91309	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	700.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.05057	0.7
58.06594	0.5
60.07852	0.4
60.08161	5.9
67.05507	2.0
69.07060	0.6
71.04988	0.3
71.07378	3.2
79.05489	1.0
81.03392	0.5
81.07059	1.7
83.04955	0.5
86.09705	30.7
86.12672	0.4
87.10025	0.9
87.53396	0.3
93.07029	1.2
95.04925	0.4
95.08603	0.9
97.10182	0.3
98.98462	3.9
104.10746	2.4
105.07044	0.9
107.08579	0.5
109.10141	1.0
116.87582	0.4
119.08556	0.6
125.00003	22.2
127.25179	0.3
131.08481	0.4
136.06175	1.8
139.81866	0.3
143.01031	0.4
143.87582	0.3
150.01457	0.3
165.58109	0.3
173.19127	0.4
184.07341	100.0
185.07672	2.0
185.25360	0.3
229.14285	0.5
229.45406	0.4
231.67201	0.3
236.14909	0.9
261.22055	0.5
269.23343	0.4
302.14304	0.3
309.59949	0.4
309.87408	0.3
335.21909	0.7
335.25400	0.6
338.06955	0.3
391.24594	0.6
484.05539	0.4
489.35611	0.5
513.35114	0.6
569.26575	0.4
655.31238	0.5
691.66272	0.4
700.44794	9.3
701.45898	10.6
719.75830	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	701.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72198	0.2
67.05500	0.6
71.04974	0.2
79.05516	0.2
81.07069	0.3
86.09683	0.3
98.23465	0.4
102.89326	0.2
104.67921	0.3
105.07040	0.2
118.82568	0.2
120.68918	0.2
141.57172	0.2
149.02350	0.9
152.06485	0.2
184.07344	0.5
185.04274	0.9
185.08904	0.2
217.80249	0.2
254.65244	0.2
256.26550	0.3
259.07852	0.5
347.09491	1.0
357.43048	0.2
377.26263	0.3
429.11914	0.3
504.33563	0.3
539.31891	20.6
540.32123	2.4
701.37146	100.0
702.37585	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
57.07067	0.3
67.05510	0.6
69.07092	0.2
70.06590	0.5
81.07069	0.5
88.07638	0.4
91.05470	0.2
92.07232	0.2
93.07074	0.5
95.08582	0.4
102.09223	0.3
109.10131	0.3
122.18263	0.2
126.89397	0.2
149.02361	1.0
185.04187	1.0
193.05048	0.6
194.30409	0.2
203.05283	2.0
256.26407	0.9
259.08032	1.0
284.70883	0.2
347.09528	1.1
365.10583	2.4
421.13370	1.1
429.11713	0.3
539.31897	16.9
540.32190	2.3
701.37177	100.0
702.37610	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4597
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
55.05515	1.8
57.07085	2.3
59.05015	0.7
60.08175	2.5
67.05509	4.6
67.05824	0.6
67.16118	0.6
69.07076	2.0
71.07380	0.7
71.08637	1.9
72.20644	0.6
79.05501	1.9
81.03502	0.7
81.07053	4.1
83.05003	1.1
83.08641	1.2
85.10199	2.2
86.09716	8.7
87.04469	0.7
89.06032	3.8
91.05503	1.7
93.07056	2.1
95.05013	1.2
95.08627	2.5
96.48676	0.6
97.06548	1.1
97.07159	0.5
98.98471	1.0
99.04520	0.9
105.07047	2.1
107.04963	0.7
107.08598	1.4
109.06539	1.0
109.10180	3.1
111.04501	1.1
113.09686	0.7
117.07073	0.8
119.08585	1.4
121.10169	2.3
123.11705	0.8
124.99990	5.3
131.08644	1.0
133.08641	2.2
133.10149	1.4
135.11687	0.6
136.51187	0.6
136.57932	0.6
142.07677	0.6
146.79672	0.5
147.11752	0.7
151.11362	0.7
163.11240	0.9
165.12813	1.0
177.11220	1.0
184.07352	28.3
185.07689	1.0
237.72762	0.6
265.07797	0.7
271.26199	0.8
333.20340	4.5
335.21948	4.6
351.21371	0.6
389.22995	5.2
391.24506	3.6
424.38525	0.6
492.01151	0.7
513.35736	1.6
585.37878	1.4
603.47430	0.7
606.08246	0.6
611.32135	0.6
701.45978	100.0
702.46191	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	701.4598
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
51.90620	0.3
55.05507	1.5
57.03435	1.0
57.07076	0.8
60.08172	1.4
67.05512	3.1
69.07079	1.3
71.05001	0.5
71.07365	0.7
78.28168	0.3
79.05504	1.7
81.03417	0.8
81.07070	4.2
83.08621	0.9
85.10188	0.6
86.09707	6.1
86.10170	0.4
87.10094	0.6
89.06042	1.6
91.05490	1.5
93.07044	2.3
95.04996	0.8
95.08595	1.8
97.10194	0.6
98.22632	1.4
98.98501	1.3
104.10706	0.6
105.07046	1.4
107.08628	1.8
109.06541	0.9
109.10176	1.7
111.08089	0.4
113.09644	0.9
118.33807	0.3
119.08586	0.6
121.10172	0.8
123.11699	0.9
125.00011	4.8
131.08582	0.8
133.08597	0.8
133.10124	1.1
135.11703	0.8
145.10165	0.6
147.11752	0.8
151.11299	0.5
165.12837	0.6
177.11314	0.4
184.07359	24.7
185.07700	3.5
227.12869	0.8
243.16098	0.4
244.16341	0.5
283.15500	0.4
333.20374	6.0
335.21976	3.5
335.25262	0.4
336.26202	0.6
389.22943	4.5
389.26959	0.4
390.23480	0.5
391.24585	2.3
501.48279	0.4
504.38223	0.6
532.67297	0.4
701.46002	100.0
702.46313	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4597
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
55.01867	0.4
55.05515	2.1
57.03433	0.3
60.08167	1.9
67.05512	4.3
69.07066	1.6
69.77986	1.2
71.04982	0.3
71.07381	1.2
71.08633	1.3
77.76409	0.3
79.05492	2.3
80.48700	0.4
81.07059	5.8
83.08639	1.4
86.09709	11.5
88.32003	0.4
89.06019	0.5
91.05467	1.9
93.07053	2.3
95.04913	0.5
95.08612	1.9
97.06587	0.6
97.60429	0.3
98.22742	0.6
98.98496	1.7
99.08108	0.6
104.10767	0.6
105.07032	1.7
107.08617	1.1
109.06551	0.8
109.10174	0.8
111.08115	0.7
117.06938	0.3
119.08608	1.5
121.10191	1.1
123.08061	0.7
123.11729	0.9
124.27002	0.3
125.00015	8.2
129.07008	0.4
133.08546	0.5
133.10172	0.8
135.11754	0.5
145.10158	0.6
147.11719	1.1
151.11229	0.4
159.11739	0.6
165.12854	0.4
175.11243	0.4
184.07347	32.6
208.95850	0.3
242.94557	0.4
269.17581	0.5
270.17941	0.5
293.23050	0.4
333.20343	5.8
334.20999	0.5
335.21933	6.9
335.25647	0.7
336.22473	0.5
389.22992	4.2
391.24466	4.4
486.80905	0.4
504.37823	0.8
701.45978	100.0
702.46301	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.1
51.02376	2.0
53.03947	2.6
55.01865	1.6
57.03426	0.9
58.58639	0.4
62.32524	0.5
67.01862	0.6
69.03433	6.4
70.06605	0.9
71.01339	0.5
71.04987	1.3
71.28165	0.5
73.02922	0.5
77.85161	0.5
79.01856	9.0
81.03415	12.2
83.01324	0.5
84.99043	0.6
85.02897	3.3
91.05478	1.0
93.07049	0.6
97.02888	6.1
99.04475	2.7
103.05468	1.3
107.01326	1.3
109.02126	0.9
109.02878	19.5
113.02371	3.1
117.03399	0.6
121.06521	1.8
123.15661	0.6
125.02352	5.1
127.03915	25.7
131.04909	0.9
135.04439	0.8
137.02325	0.6
143.03394	11.1
145.04965	9.8
147.04395	1.8
149.02342	0.6
149.05994	3.1
153.01830	100.0
153.02931	7.8
154.02161	2.2
155.92487	0.6
159.04396	1.1
163.03952	2.7
165.01849	1.4
167.03468	0.7
171.02815	0.5
172.70557	0.6
175.02655	0.5
175.03912	2.7
177.01817	1.0
177.05457	1.4
179.03436	0.8
181.01289	0.7
181.08649	2.0
191.03394	9.7
192.03531	0.5
193.01334	4.1
193.04959	1.0
197.04483	3.9
200.86832	0.5
201.01860	0.7
203.03386	15.9
204.03769	0.7
205.01410	1.3
205.04901	2.9
207.02866	0.8
209.04535	1.4
209.08115	5.9
210.04347	0.6
217.05002	0.9
219.02878	26.5
220.03218	1.1
221.00850	8.4
221.04350	3.0
225.03941	1.1
229.01407	1.1
231.02890	11.3
233.00810	4.3
233.04474	1.9
235.02419	1.3
237.03873	1.7
247.02383	33.3
248.02713	1.5
249.03929	4.4
251.05553	0.7
253.03450	2.2
257.00861	1.6
259.02371	1.1
261.03873	3.8
263.05527	1.8
265.03452	2.2
275.01883	20.2
275.04834	1.1
276.02136	0.7
277.03418	1.0
279.04941	2.7
286.17120	0.6
289.03394	3.2
293.02847	6.4
303.01346	3.0
307.04489	11.6
308.04672	0.7
309.06116	0.9
321.02307	3.6
325.05441	1.1
335.03973	8.6
336.04358	0.6
353.05014	43.6
354.05389	2.1
365.04999	0.8
371.06024	5.8
413.07358	0.7
437.06924	1.1
447.05539	0.7
461.07013	2.1
465.06369	1.5
479.08340	6.0
497.09332	5.2
649.10162	0.9
667.11218	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	702.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21316	1.0
53.03941	3.2
55.01882	5.7
55.05515	48.5
57.03441	12.3
57.07084	2.5
59.05021	1.5
60.08160	4.4
61.02925	3.0
63.76545	0.9
65.03930	1.8
65.15411	0.9
67.05511	52.2
68.05850	1.7
69.03433	7.1
69.07072	16.6
69.37356	2.0
69.37753	5.5
71.04993	2.1
71.07371	2.7
71.08634	1.5
73.01424	1.0
73.02942	1.4
79.05501	38.2
79.05969	1.8
81.03427	1.8
81.07065	49.4
83.01615	0.9
83.04978	4.4
83.08144	2.1
83.08627	32.1
85.02912	4.4
85.06547	4.5
86.09708	22.4
89.06042	1.3
91.03962	2.3
91.05486	13.7
93.07051	37.5
95.04969	4.6
95.08614	30.6
97.02917	1.6
97.06537	2.1
97.10177	71.7
98.10531	1.8
98.98458	2.5
99.08102	1.1
104.10737	1.4
105.07035	11.0
107.07867	2.0
107.08599	36.0
109.06518	2.3
109.10162	15.5
111.08084	3.2
117.07051	5.0
119.08577	8.9
121.10146	14.8
123.11703	6.4
125.00006	14.3
125.09641	66.5
126.09949	1.2
131.08578	7.2
133.10146	7.9
135.08061	7.2
135.11691	10.3
143.08614	1.3
143.10670	3.2
145.10144	4.7
147.11713	3.4
149.13284	6.7
153.09074	4.4
159.11787	5.3
161.13309	3.0
163.14876	3.7
171.10161	4.1
173.13263	4.4
175.14787	1.5
184.07361	77.9
187.14787	2.3
189.11238	52.3
190.11615	1.3
215.78719	1.1
219.17462	1.2
227.12794	78.2
227.20041	2.6
228.13176	3.2
243.21048	7.0
245.13857	100.0
246.14168	5.5
255.36618	1.1
261.22137	26.9
261.24698	1.9
279.23221	1.8
317.24829	4.8
335.25824	97.8
336.26190	8.9
336.93909	1.1
357.57169	1.1
385.68494	1.1
431.31561	1.5
487.27911	1.3
487.34009	7.1
505.35229	59.1
506.35471	6.0
523.36316	2.2
582.44025	1.3
702.46191	4.5
703.41064	1.1
703.90869	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	702.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96491	1.0
53.03959	2.2
55.01873	4.5
55.05514	44.3
57.03438	12.0
57.07069	2.1
59.04995	1.7
60.08157	1.5
61.02918	3.9
65.03937	1.8
67.05510	47.0
69.03437	7.2
69.07075	13.4
71.04993	1.2
71.07373	1.1
71.09469	1.0
79.05498	30.7
81.03423	2.2
81.07060	45.1
81.46776	0.9
83.04979	4.9
83.08620	25.1
85.02908	3.0
85.06556	1.4
86.09718	7.5
91.05486	13.8
93.07047	28.2
95.04984	3.2
95.08610	24.1
97.02864	2.1
97.06557	1.9
97.10177	59.1
98.10496	1.2
99.08092	1.1
105.07034	8.2
107.08601	30.9
109.06522	2.0
109.10163	14.4
111.08090	2.2
117.07030	6.2
119.08595	7.7
121.10143	11.6
123.11712	4.6
124.99996	4.0
125.09637	54.9
126.09996	1.8
131.08560	6.2
133.10126	4.6
135.08136	4.9
135.11702	9.0
137.13258	3.7
143.10669	3.1
145.10101	3.7
147.11697	2.6
149.13271	4.3
152.86731	1.0
153.09113	3.2
159.11723	3.2
161.13234	3.4
163.14883	2.3
167.68082	1.0
171.10167	4.1
173.13275	3.8
175.14781	1.2
177.16403	1.2
181.12209	1.1
184.07365	23.3
187.14859	1.4
189.11235	43.4
190.11507	1.7
227.12788	80.5
228.13019	4.6
243.21074	6.6
245.13860	100.0
246.14244	3.7
261.22159	22.9
262.22543	2.4
279.23166	1.3
317.24649	3.4
335.25824	67.7
336.26132	6.5
353.26730	1.2
377.98779	1.0
413.30557	2.0
431.31274	1.4
476.75427	1.2
487.34189	6.2
505.35242	37.7
506.35217	5.8
523.36060	2.5
529.38513	6.1
702.46448	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	702.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05034	0.8
57.07077	0.9
58.06607	0.3
59.03842	0.2
60.08167	6.4
67.05503	1.3
68.05834	0.3
69.07079	0.2
71.04997	0.3
71.07380	3.7
71.08621	0.9
71.27808	0.2
73.06566	0.3
79.05501	0.5
81.07062	1.8
82.07394	0.4
83.08621	0.3
85.10184	0.5
86.09710	31.2
87.04472	0.5
87.10048	0.5
89.06030	3.6
91.05481	0.4
93.07042	0.6
95.08591	0.7
98.98466	3.7
104.10750	2.5
105.07034	0.5
107.08612	0.4
109.10173	0.5
112.73593	0.2
117.09113	0.2
123.11687	0.3
125.00009	21.3
126.00336	0.2
133.08595	1.8
135.11766	0.2
143.01064	0.3
159.08875	0.2
177.11270	0.9
184.07352	100.0
185.07721	1.6
227.12721	0.2
243.16096	0.4
244.16298	0.5
248.32930	0.2
269.57431	0.2
335.22046	0.3
337.26355	0.2
702.47034	4.0
703.47668	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	702.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
56.05032	0.9
57.07076	1.0
58.06356	0.2
58.06631	0.5
60.08165	6.2
66.14262	0.1
67.05503	1.5
68.05831	0.2
68.76656	0.2
69.07052	0.3
71.07375	4.5
71.08632	0.9
73.06564	0.3
79.00366	0.2
79.05495	0.9
81.07062	1.6
82.07382	0.3
83.08620	0.3
85.06536	0.3
85.10184	0.5
86.09709	32.4
87.04470	0.2
87.10005	0.4
89.06030	3.1
91.05496	0.3
93.07068	0.5
95.04964	0.2
95.08618	0.9
98.98466	3.8
104.10743	2.1
105.07032	0.4
105.46221	0.2
107.08584	0.2
117.09127	0.2
121.10141	0.2
123.11732	0.2
125.00008	22.8
133.08617	2.1
135.11760	0.2
143.01103	0.4
143.53156	0.2
177.11244	0.7
182.34087	0.2
184.07347	100.0
185.07706	1.9
209.14207	0.2
216.24474	0.2
228.92204	0.2
243.15910	0.5
244.16422	0.3
336.25995	0.2
440.23709	0.2
505.37997	0.2
614.12750	0.2
702.46814	4.0
703.37256	0.2
703.47614	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	702.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.05033	0.9
57.03436	0.5
57.07086	0.5
58.06631	0.5
60.08165	6.9
63.27474	0.2
67.05524	1.3
69.07076	1.0
71.07378	3.8
73.76305	0.2
74.68224	0.2
79.05502	0.9
81.03461	0.2
81.07062	2.1
83.05008	0.3
83.08624	1.0
83.45210	0.2
86.09711	34.3
87.10029	0.5
89.06045	0.8
91.05509	0.6
93.07029	1.3
95.04953	0.2
95.08607	1.2
97.06531	0.3
97.10178	0.3
98.98469	3.8
98.99049	0.4
104.10752	3.0
105.07065	0.3
107.08617	0.6
109.10174	0.3
119.08594	0.4
121.10143	0.7
125.00012	23.4
131.08507	0.2
131.64330	0.2
135.11757	0.2
135.25232	0.2
136.06151	0.4
143.01030	0.3
149.13199	0.6
184.07352	100.0
185.07669	1.5
210.45508	0.3
237.22777	0.2
269.17517	1.2
274.22079	0.2
311.25800	1.5
340.03946	0.2
505.38782	2.1
632.24890	0.3
702.46924	4.8
703.46228	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	703.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46229	14.2
57.83133	18.1
67.53274	17.2
69.03413	20.7
71.79391	15.3
74.07333	17.6
121.06535	19.4
153.01843	100.0
154.02080	21.7
155.00774	20.0
188.91188	36.4
207.46051	19.2
219.02904	27.4
354.05222	20.6
703.05371	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95455	0.6
63.50683	0.6
65.38213	0.7
69.23801	4.5
72.60262	0.8
76.22120	0.7
81.03413	0.9
91.05470	0.9
97.02847	1.1
109.02902	1.4
115.05467	1.8
117.05730	1.3
117.07063	0.8
118.06543	20.4
119.06847	0.9
125.02351	1.1
127.03915	1.7
130.06505	2.1
132.08112	5.6
142.06525	2.0
143.07269	3.3
144.08081	10.7
146.06007	60.5
147.06313	2.3
148.45490	0.7
153.01810	2.7
153.02945	0.8
159.09166	6.6
160.07616	1.3
170.06004	4.3
188.07069	100.0
189.07394	3.5
205.09726	36.9
206.10101	1.1
219.02837	0.9
221.00824	1.3
226.98511	0.9
247.02438	0.7
300.59982	0.7
301.62711	0.8
641.64270	0.8
642.21692	0.8
647.54425	0.7
687.74469	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	703.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.1
56.46845	0.1
56.57856	0.1
67.05465	0.2
69.07022	0.2
78.09756	0.1
79.05444	0.2
81.06995	0.2
83.08568	0.1
93.07014	0.2
95.08540	0.1
98.22578	0.3
105.06999	0.2
109.10098	0.1
138.64415	0.1
185.04210	0.9
203.05293	2.0
259.07895	1.8
265.13745	0.1
305.08395	0.4
326.13037	0.1
329.08496	0.2
347.09546	1.2
365.10544	3.5
379.28534	0.2
401.50378	0.1
402.08707	0.1
421.13107	1.3
541.33466	20.9
542.33826	2.5
703.38696	100.0
704.38989	12.9
728.29077	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	703.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35765	0.2
53.24175	0.3
59.16514	0.3
79.05465	0.3
82.08405	0.3
93.61292	0.3
98.87622	0.3
105.62643	0.3
121.10060	0.3
135.13911	0.3
142.08672	0.3
160.57491	0.3
179.72931	0.3
184.07402	0.6
184.35439	0.3
185.04318	0.7
199.30742	0.3
203.05392	0.4
209.87474	0.3
259.07941	0.6
343.35532	0.3
347.09723	1.3
365.10382	0.4
371.35034	0.3
526.14380	0.3
541.33496	20.1
542.33716	2.3
703.38745	100.0
704.38995	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	703.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01871	1.2
55.05263	0.7
55.05514	4.4
57.03441	1.6
57.07056	0.7
59.04982	0.5
63.17373	0.4
65.03992	0.4
67.05510	9.1
69.03436	1.6
69.07071	2.6
70.89619	0.4
71.05006	0.5
71.08634	2.8
79.05502	8.2
81.03422	2.5
81.07063	9.4
83.05005	2.0
83.08615	3.0
85.02914	1.0
86.09716	1.6
89.06020	0.6
91.05486	6.5
93.07047	7.6
94.88922	0.4
95.04988	2.2
95.08620	5.7
97.02940	0.6
97.06548	1.0
97.10154	0.8
98.23447	1.0
98.98454	0.5
99.08131	1.3
105.07033	4.7
107.04987	1.7
107.08611	3.6
109.06549	0.8
109.10175	1.9
111.08102	0.9
115.05472	0.5
117.07054	1.7
119.08591	3.6
121.06519	0.5
121.10182	1.7
122.21655	0.4
123.04411	0.5
123.08109	0.6
123.11723	0.8
125.00040	1.7
127.03964	0.4
128.48590	0.5
129.07057	1.5
131.08575	2.2
133.06499	0.8
133.10132	2.1
135.08090	0.5
135.11751	1.2
143.08533	0.9
145.10164	1.5
147.08035	0.5
147.11693	3.7
149.13300	1.0
151.11237	0.8
151.21687	0.4
157.10179	0.5
159.11794	0.7
161.13298	0.8
165.12830	0.7
171.11778	1.3
173.13347	0.6
184.07335	7.0
185.07736	0.6
189.16333	0.5
207.13773	0.5
211.89377	0.4
259.20618	0.5
277.21722	0.8
277.65845	0.4
281.17624	1.0
287.16409	0.7
335.21985	14.9
335.25876	1.9
336.22394	0.9
391.24545	9.3
463.26654	0.6
541.39197	0.9
542.38831	0.6
703.47546	100.0
704.47809	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92382	1.0
55.05514	2.2
57.07080	1.3
60.08151	0.9
67.05524	3.3
69.07088	1.6
71.08624	1.6
71.27482	1.0
79.05500	1.8
81.03399	1.1
81.07071	4.2
83.08624	1.1
86.09689	4.7
93.07050	1.0
95.04967	1.0
95.08638	3.4
97.10184	1.3
97.25510	0.8
105.07050	1.3
109.10164	1.2
119.08598	1.1
123.58978	0.9
125.00028	2.5
126.17760	1.3
133.10162	1.2
181.82230	1.0
184.07359	16.5
193.12244	1.0
205.08865	0.9
220.63747	1.0
291.87860	1.1
313.27451	1.3
335.21893	8.4
391.24490	6.0
506.39679	1.2
703.47559	100.0
704.47876	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.3
55.05513	1.1
57.03422	0.5
57.07072	0.7
67.05508	2.7
69.07065	1.2
69.15002	1.1
69.15417	1.2
70.14923	0.3
71.04966	0.3
71.08644	0.5
79.05504	2.1
79.67061	0.3
81.03429	0.3
81.07059	2.9
82.15427	0.3
83.08628	0.7
83.65218	0.4
85.10206	0.9
86.09718	1.3
89.06046	0.6
90.06810	0.3
91.05502	1.2
93.07071	1.5
95.05006	0.6
95.08618	1.7
97.10197	0.5
105.07065	0.9
107.08611	1.2
109.10120	1.7
113.09669	0.8
119.08612	0.5
121.10182	1.1
125.00030	0.6
129.58875	0.3
131.08627	0.4
133.10129	0.9
135.08058	0.3
135.11739	0.6
145.10182	0.6
149.13304	0.3
151.11305	0.4
156.55186	0.3
161.13359	0.4
164.86151	0.3
165.12823	0.8
184.07341	4.0
184.08708	0.4
277.21829	0.7
295.22751	0.5
318.39847	0.3
335.21939	5.8
335.25644	0.5
336.22443	0.3
351.21484	2.2
391.24554	4.6
392.25308	0.4
407.24234	1.0
430.68970	0.4
703.47534	100.0
704.47870	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05486	1.5
56.05015	0.7
57.03433	0.5
57.07084	2.3
58.06604	0.6
60.08165	4.0
62.87477	0.3
67.05499	3.1
67.67556	0.4
69.07050	1.2
71.07381	2.2
71.08624	2.3
73.06529	0.7
78.41920	0.3
79.05489	1.9
80.56504	0.4
81.03362	0.7
81.07050	3.9
83.08593	1.2
85.10143	1.2
86.09705	17.1
87.04445	1.0
87.10012	2.4
89.06040	5.3
90.06345	0.7
91.05487	2.0
93.07051	2.1
93.07545	0.4
95.08622	2.1
97.06519	0.5
97.10148	0.4
98.98449	1.9
104.10721	1.2
105.07007	1.7
107.08547	1.0
109.06508	0.5
109.10126	1.5
113.09644	0.6
119.08591	0.7
121.10130	0.6
123.11700	0.5
125.00003	12.4
126.00317	0.4
131.08479	0.5
132.35104	0.3
133.08621	3.4
133.10139	1.3
134.08942	0.9
138.49463	0.5
147.11671	0.7
149.09583	0.5
161.13203	0.4
165.12727	0.9
177.11203	0.9
184.07343	54.3
185.07716	8.2
186.07744	0.6
277.21756	0.7
293.59396	0.4
335.21967	10.1
335.26062	0.5
351.28247	0.4
391.24503	8.1
392.24911	0.5
703.47516	100.0
704.47803	13.8
721.90338	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	703.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29335	0.4
55.05527	0.6
57.03448	0.4
57.07069	1.0
58.17769	0.4
67.05500	2.2
69.07066	0.8
75.01530	0.4
79.05495	0.7
81.07063	2.4
85.10189	1.7
86.09718	1.6
89.06086	0.4
91.05508	0.9
93.07070	1.6
95.05006	0.5
95.08633	1.4
97.10206	0.5
105.07050	1.0
107.08610	0.7
109.10197	1.2
113.09628	0.6
119.08603	0.6
121.10172	0.7
124.93856	0.4
125.00017	1.0
131.08594	0.6
133.10168	1.1
135.11700	0.4
156.82736	0.4
165.12796	1.3
184.07365	7.2
185.07784	0.7
202.90913	0.5
235.86893	0.5
277.21786	0.5
301.46542	0.5
335.21893	9.8
335.25516	0.8
336.22495	0.4
345.72861	0.4
374.66916	0.4
391.24594	6.4
531.37048	0.6
559.07361	0.5
559.36395	0.4
703.47516	100.0
704.47919	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	704.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01852	1.3
55.05504	3.4
57.03429	4.4
67.05502	3.2
69.03423	9.4
69.83837	3.2
69.84196	1.6
71.05006	2.1
75.04494	7.8
79.05497	20.0
81.02971	1.5
81.03424	10.9
81.07069	8.0
83.05003	1.9
85.02922	7.6
91.05486	18.4
93.07050	100.0
94.07382	2.2
95.04971	5.4
95.08646	2.8
96.40208	1.2
97.02891	8.1
97.06554	1.3
98.22723	1.4
99.04467	1.9
103.05448	1.1
105.04494	1.4
105.07046	9.2
106.07798	1.5
107.04971	1.3
107.08599	19.2
109.02869	3.8
109.10167	1.7
111.04479	1.5
111.08077	5.7
115.05408	1.8
119.08600	11.1
121.06506	2.0
121.10151	94.6
122.03661	1.4
122.10516	2.8
123.08047	1.5
123.11720	1.9
125.06016	1.5
125.41928	1.1
127.03922	4.0
129.06993	2.3
131.08615	6.5
133.10176	1.6
137.05981	28.8
139.11206	2.3
143.04878	2.1
144.05743	1.4
145.04968	1.4
145.10207	1.4
149.09612	17.7
151.03972	1.6
155.08611	1.1
157.06541	1.4
160.05115	1.5
167.10696	24.9
175.07555	15.2
187.07585	4.9
189.09140	2.3
205.08607	4.7
217.08623	1.7
235.09573	1.9
281.14001	1.3
283.15421	1.9
293.13898	5.0
311.14987	12.5
323.12799	1.2
329.16138	1.5
341.13925	1.8
403.44101	1.1
416.13449	1.2
460.46545	1.2
495.41696	1.4
704.34271	3.3
713.43024	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	704.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.01873	10.4
55.05515	46.0
56.40328	3.0
57.03439	18.8
60.05655	9.0
61.02931	7.3
65.03943	6.6
67.05509	75.4
69.03428	14.0
69.07085	21.9
70.19235	3.0
71.05008	6.6
71.28967	4.5
73.02921	3.1
79.05501	65.0
81.03421	100.0
81.07063	68.1
83.04984	30.5
83.08629	34.7
85.02913	31.9
85.06551	3.9
86.09734	2.4
91.03979	3.0
91.05486	67.8
93.07047	58.1
95.04971	54.5
95.08620	28.9
97.02911	10.0
97.06539	10.4
97.10188	14.7
105.07040	43.7
107.04972	20.5
107.08601	28.9
109.02885	5.8
109.06541	9.1
109.10193	20.9
109.57992	2.8
111.04458	5.9
111.08089	17.5
117.06995	15.4
118.76056	2.6
119.08591	32.1
121.06514	10.2
121.10147	17.4
123.08063	6.7
123.11709	5.9
125.06036	4.7
125.09637	13.3
129.07011	16.1
131.08556	26.2
133.06538	3.1
133.10112	27.2
135.08055	6.0
135.11711	4.8
137.09636	6.1
142.07787	4.6
145.10114	13.9
147.08063	6.0
147.11690	26.2
149.09639	10.1
149.13289	4.3
157.10115	19.0
159.11725	11.0
161.09651	5.1
163.11226	4.7
165.12842	5.1
171.11693	4.2
175.11264	13.5
177.12772	4.0
184.07408	5.3
185.55382	3.0
187.11179	6.3
189.11227	12.7
193.12245	54.9
205.12309	9.9
211.13309	90.4
223.13292	63.7
223.15363	4.9
224.13672	5.7
227.12827	11.7
229.14392	11.8
267.15909	42.5
279.15924	7.6
283.15292	6.6
285.16956	56.4
286.17438	3.8
297.16980	64.5
298.17438	3.6
355.17804	3.2
421.25974	4.9
439.26837	13.6
461.28979	5.9
471.27502	5.0
489.28372	32.7
490.29160	4.5
499.16425	3.1
507.23184	5.7
507.29712	80.1
508.29831	5.1
524.44257	2.8
704.35413	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	704.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.05510	14.6
58.32065	3.2
59.81925	3.3
67.05508	48.8
69.07071	5.4
69.46975	3.1
71.04988	13.2
79.05498	42.5
81.03442	5.0
81.07065	55.2
83.04992	11.6
83.08622	5.7
85.06561	5.0
86.09693	8.8
91.05478	38.4
93.07044	28.9
95.04947	6.6
95.08614	13.0
97.06539	5.0
105.07029	18.6
107.04967	3.7
107.08585	12.8
109.10168	6.8
109.93465	3.3
117.07017	6.9
119.08616	7.3
123.11714	4.9
129.07001	7.0
131.08591	4.4
133.10138	9.9
147.11707	16.1
149.02345	7.8
149.13300	5.8
150.02664	4.0
159.11688	5.7
165.56859	3.4
171.11658	8.7
184.07376	19.1
189.12805	5.2
207.13881	6.8
261.61240	3.4
281.17529	10.3
301.20224	6.9
383.07413	3.7
449.28961	25.5
463.30988	4.0
475.30606	100.0
476.30911	11.7
507.33105	21.2
626.93927	3.7
704.38873	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	704.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25978	0.6
53.01292	0.6
53.03941	0.8
55.05513	9.2
55.43780	0.6
57.03439	13.5
57.07079	30.8
60.05649	1.1
61.02932	3.8
65.03956	1.4
67.05508	33.3
69.03434	1.3
69.07070	15.7
69.71651	1.4
69.72021	2.1
71.04998	2.8
71.08633	22.3
73.02891	0.8
79.05498	15.7
81.03414	1.1
81.07060	46.1
82.07387	1.0
83.04996	2.8
83.08624	16.2
84.08991	0.7
85.02892	3.7
85.06563	3.2
85.10185	12.4
89.06056	1.3
91.03992	1.0
91.05489	8.4
93.07049	24.0
93.07632	1.6
94.07400	0.7
95.04981	1.9
95.08611	24.2
96.08948	0.7
97.02907	2.2
97.06529	5.8
97.10176	5.8
98.23476	1.1
99.08111	1.3
99.11740	1.1
103.07607	1.6
105.07039	3.5
107.08597	14.6
107.27605	0.7
109.10159	8.9
111.08089	2.7
111.11760	0.8
117.07008	4.0
119.08633	0.8
121.06532	1.1
121.10149	10.0
123.11707	5.1
123.58707	0.6
125.09619	1.0
126.34077	0.6
131.08621	3.2
133.10139	5.3
135.08020	1.2
135.11702	4.6
137.13272	1.0
139.11165	1.0
149.13264	13.2
159.11679	4.7
167.38763	0.7
177.12804	3.0
184.07399	2.6
195.13823	8.4
213.14815	1.0
234.41898	0.7
239.23706	2.4
257.24866	2.4
269.17487	71.7
270.18011	4.7
313.27368	85.1
314.27762	7.4
322.44760	0.8
344.35419	0.7
385.17377	0.8
386.10593	0.9
413.22369	0.8
507.40469	100.0
508.40778	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	704.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.69885	0.7
55.05517	7.5
57.03439	11.0
57.07079	23.7
61.02930	4.0
64.59140	0.8
65.03942	1.2
67.05508	27.1
69.03420	1.4
69.06727	1.2
69.07068	12.8
71.04986	3.0
71.08635	19.0
73.02922	1.3
79.01836	0.7
79.05495	15.4
81.03410	1.6
81.07057	37.1
82.07389	0.9
83.04997	1.8
83.08627	12.2
83.98915	0.7
85.02908	4.3
85.06557	2.2
85.10184	9.4
86.09711	0.9
89.06049	1.3
91.03963	1.5
91.05480	8.2
93.06469	1.7
93.07046	19.4
95.04967	1.9
95.08613	17.6
97.02881	1.9
97.06534	4.0
97.10164	3.9
99.08067	1.0
103.07599	1.3
105.07053	3.4
107.08593	12.1
109.10149	6.7
111.08079	2.2
117.07018	3.8
121.06529	1.6
121.10164	3.7
122.67600	0.8
123.11729	4.0
131.08565	4.2
131.44579	0.7
133.10120	5.3
135.11693	4.4
137.13306	0.9
149.13284	6.7
151.11176	1.0
159.11731	4.0
177.12799	1.8
184.07382	1.0
195.13791	7.7
213.14908	1.0
239.23868	1.1
257.24857	1.1
269.17471	62.6
269.95639	0.8
270.17822	3.6
313.27359	67.7
314.27634	5.3
507.40466	100.0
508.40805	10.7
576.54578	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	705.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
59.55700	0.6
67.05507	1.0
71.28047	0.8
79.05495	0.6
80.05013	0.6
89.03918	1.6
93.07012	1.2
94.06549	1.5
95.04965	0.7
95.08595	0.6
96.08125	1.6
107.54543	0.5
108.08115	1.7
110.09670	2.8
110.51623	0.5
116.04975	3.7
116.52295	0.5
120.08089	2.2
121.06418	0.8
122.06045	3.1
123.06832	0.7
124.07591	2.2
136.07555	3.7
138.09187	3.2
144.04451	12.4
145.04926	0.8
146.06009	1.6
150.05466	1.8
151.06253	1.6
152.07089	9.6
162.05510	5.6
165.07864	8.5
166.08650	16.2
167.09314	1.3
168.20842	0.6
172.03943	58.2
173.04295	2.2
182.08052	0.9
184.09654	3.4
190.04968	2.3
204.06575	100.0
205.06958	3.6
210.07747	0.7
211.08432	2.1
226.10757	91.9
227.08115	0.6
227.11089	4.0
242.10464	0.8
251.11757	0.6
253.09752	1.5
257.12943	0.9
265.09714	0.8
279.11075	0.8
281.09253	1.0
311.10352	0.8
312.11411	0.6
313.11862	1.7
317.14966	14.6
318.15268	1.1
325.11929	3.2
327.13504	0.8
329.15100	0.8
339.13364	5.0
343.12875	1.4
349.17548	1.6
355.12906	1.1
357.14441	15.5
358.14874	1.5
367.12738	1.8
508.20837	6.2
509.21790	0.8
520.20758	5.5
540.23145	1.3
552.23413	2.4
568.76141	0.7
705.35132	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	705.325
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88433	1.4
64.17393	1.4
67.05518	4.1
67.13205	1.4
71.30621	2.1
77.69975	1.6
81.07085	2.8
85.02927	2.3
85.84934	1.5
89.97485	1.6
93.07050	2.3
93.80951	1.4
102.86626	1.4
105.44547	1.5
107.08615	1.7
108.31845	1.3
122.83852	1.5
123.11703	1.5
133.10181	1.6
159.11681	2.5
285.50867	1.5
304.83691	1.5
373.24548	1.4
464.22662	1.6
524.95404	1.6
525.37103	1.8
543.36621	6.6
633.76593	1.7
705.32361	100.0
706.32654	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	706.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.7
53.03943	4.6
55.01878	4.8
55.05514	21.2
57.03440	12.6
57.89615	1.4
58.96150	1.1
59.05009	2.3
61.02925	4.0
61.14203	1.3
65.03956	2.4
67.05179	2.2
67.05511	26.2
69.03426	5.2
69.07075	6.6
69.84276	1.1
70.38619	3.0
71.01366	1.3
71.04993	3.4
73.02927	2.0
77.16847	1.3
78.51394	1.2
79.05499	26.4
80.35477	1.1
81.03423	53.1
81.07063	35.0
83.04993	14.1
83.08626	23.7
85.02912	19.9
85.06555	3.2
86.13490	1.3
91.03954	1.6
91.05488	40.8
92.05849	1.5
93.07050	31.0
95.04973	23.3
95.08608	11.7
97.02889	8.1
97.06541	5.0
97.10197	4.8
99.00822	11.9
99.04465	1.7
99.08125	2.0
103.03948	1.3
103.05517	1.4
105.07035	32.2
107.04963	11.0
107.08619	11.5
109.02866	7.2
109.06508	5.0
109.10159	6.2
111.04454	4.6
111.08092	11.5
113.06036	2.7
117.07014	3.5
119.08598	22.8
121.06529	7.8
121.10162	9.9
123.08100	3.1
123.11721	3.1
125.09627	1.5
127.03928	3.1
128.06252	1.6
129.06981	8.1
131.08569	11.0
133.06509	2.5
133.10144	33.2
134.10477	1.5
135.08035	2.1
135.11711	5.6
137.09656	2.0
139.07561	3.1
143.08578	4.3
145.06514	1.6
145.10155	5.7
147.08052	4.1
147.11702	10.6
149.09674	5.9
151.11182	8.9
157.10135	11.7
161.09627	15.6
162.71153	1.3
163.11189	9.8
165.12849	1.6
171.08080	3.3
173.09641	2.5
175.11250	10.3
179.10709	4.5
181.12170	2.4
189.09131	5.4
193.12248	37.8
193.14021	2.2
207.10234	4.5
209.11899	1.6
211.13307	69.6
212.13623	2.5
225.11229	8.7
227.12848	5.9
234.98694	1.3
243.12312	3.0
249.14821	1.8
265.14340	7.5
266.48157	1.4
267.15930	25.1
268.16327	2.1
281.13892	5.0
283.15408	10.1
285.16968	59.5
286.17279	3.2
299.14917	57.6
300.15216	4.0
301.16452	5.3
327.10950	1.6
459.27292	4.9
463.27066	1.4
473.25266	4.1
477.28491	7.9
491.26370	19.1
492.26605	1.9
495.29587	8.1
496.29395	1.4
509.27457	100.0
510.27728	12.2
519.71796	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	706.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03186	2.4
53.03943	5.2
55.01866	7.4
55.05514	22.4
57.03443	15.3
60.08174	8.1
61.02931	3.4
64.26919	1.7
65.03936	1.8
67.05504	36.1
67.41849	1.6
68.05844	2.5
69.03424	8.1
69.07070	10.3
69.24658	1.4
71.01366	2.1
71.04981	6.2
71.07378	3.7
71.29002	2.1
73.02905	1.7
79.05132	1.0
79.05495	35.0
81.03419	82.7
81.07059	41.9
82.03762	2.0
82.07391	3.3
83.04983	9.8
83.08619	26.7
85.02903	5.6
85.06569	3.1
86.09709	30.6
91.03944	2.0
91.05480	36.1
93.07051	28.7
94.07343	1.9
95.04974	35.4
95.08614	16.9
96.08943	3.3
97.02891	5.9
97.06526	5.5
97.10173	14.7
98.38737	1.4
98.98445	3.9
99.04451	1.7
99.08096	1.6
104.10739	3.2
105.03305	1.4
105.07042	22.7
107.04950	14.1
107.08591	17.8
108.08961	1.5
109.06522	9.5
109.10148	12.0
111.04450	5.3
111.08064	9.9
112.07612	2.6
115.05435	1.7
117.07045	8.1
119.04945	1.6
119.08588	16.9
121.06523	10.9
121.10130	11.2
123.04424	1.8
123.08064	5.7
123.11678	2.2
124.99998	19.1
125.05986	1.7
125.09626	10.1
127.03890	2.4
128.06245	2.0
129.07010	10.4
131.04958	1.4
131.08582	17.6
133.06477	4.1
133.10112	11.9
135.08055	5.1
135.11710	6.9
137.06024	1.8
137.09589	1.7
141.07014	2.1
142.07767	2.1
143.08585	4.6
145.06479	5.4
145.10118	8.0
147.04388	2.0
147.08072	5.6
147.11647	8.9
148.39171	1.4
149.09634	8.0
149.13231	2.2
153.09108	2.2
153.12715	2.8
155.08542	4.4
157.10162	11.4
158.24469	1.6
159.11717	4.8
161.09564	3.2
163.11189	5.9
165.12781	3.1
167.10635	2.5
169.10104	3.6
171.11708	2.9
173.09662	2.2
173.13231	2.4
175.11169	10.1
181.12303	2.7
183.11765	1.7
184.07344	100.0
185.07774	2.6
185.13260	2.4
187.11232	2.7
189.11241	5.1
189.12788	2.4
191.10631	2.6
193.12247	22.8
195.11787	2.8
195.13704	1.9
199.11171	2.0
205.12263	1.8
211.13307	2.2
213.12701	2.7
219.13792	2.4
223.13168	1.7
227.12712	5.6
233.15276	2.6
237.12691	1.5
249.14908	3.2
267.15921	84.9
268.16238	3.0
269.17493	6.1
270.14932	2.0
273.14771	4.3
275.20081	1.9
276.20428	1.9
309.16855	2.2
315.18036	1.9
339.23151	1.7
367.22726	13.4
369.23346	1.8
385.23758	20.7
403.24866	5.7
437.29013	2.9
441.26364	4.6
459.27423	87.9
460.27759	8.2
477.28494	48.0
478.28625	4.3
491.29916	7.7
501.28516	3.9
509.31467	8.8
543.37036	3.2
544.37189	11.5
567.29108	2.1
688.41119	2.1
706.43811	8.1
715.56726	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	706.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01875	5.9
55.05514	18.3
57.03434	9.0
57.07066	2.2
59.04992	4.0
59.36054	1.2
61.02935	5.3
64.53309	1.2
65.03940	2.6
65.69148	1.2
66.23862	1.1
67.05505	60.8
68.05837	2.0
69.03429	4.0
69.07069	11.4
70.33218	2.3
71.01337	1.5
71.04994	23.0
73.02911	3.1
79.05496	33.7
81.02993	1.5
81.03429	19.7
81.07059	100.0
82.07397	2.8
83.01340	4.2
83.04982	14.1
83.08617	15.8
83.94636	1.0
85.02903	9.4
85.06546	11.4
85.70764	1.1
86.09712	3.6
91.03943	1.9
91.05481	34.4
93.07047	41.0
94.07388	1.6
95.04976	13.4
95.08607	19.1
97.02893	5.2
97.06525	8.5
97.10164	6.2
99.04450	3.9
99.08115	1.7
105.07030	18.1
107.04949	8.1
107.08593	24.8
109.02871	2.2
109.06520	8.2
109.10156	9.5
111.04449	5.3
111.08085	3.1
117.07032	10.4
119.08585	11.6
121.06516	5.3
121.10151	12.2
123.08071	9.5
123.11700	13.5
125.00048	1.5
125.05984	2.1
125.09618	3.7
129.06996	1.5
130.07767	1.7
131.08583	8.7
133.10138	17.3
134.10442	1.3
135.08047	2.6
135.11684	14.7
137.09621	3.0
145.10120	17.1
147.08035	3.0
147.11719	4.1
149.09624	3.0
149.13242	6.3
151.11165	6.7
153.12741	2.6
157.10158	1.7
159.11678	4.2
163.11200	20.7
165.09065	1.2
165.12680	1.4
169.12241	1.5
173.09596	3.4
173.13298	1.3
177.12787	1.8
181.12230	3.2
183.13777	2.6
184.07372	10.5
187.11398	1.2
187.13300	3.6
191.10675	2.0
195.13872	3.6
209.11693	4.3
223.13239	2.2
227.12787	4.0
232.13527	1.3
241.14340	1.3
243.16129	1.4
257.17334	1.4
265.14221	1.2
267.15915	3.3
269.17490	11.1
275.20099	1.7
283.15417	18.9
291.19565	1.4
301.20059	14.7
315.17963	2.3
350.24423	1.2
367.22296	1.4
411.27499	2.0
433.26227	1.3
451.26907	83.6
452.27063	8.5
459.27295	4.9
465.28479	7.0
477.28516	47.0
478.28891	4.5
491.29895	1.9
509.31119	90.6
510.31219	8.4
706.43646	2.0
707.31635	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	706.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16824	0.7
52.98734	0.7
53.03945	1.5
55.01877	1.2
55.05283	0.7
55.05519	5.1
56.05033	2.8
57.03443	4.4
60.04519	1.9
61.02928	4.3
67.05508	15.1
68.05049	0.8
69.03426	2.5
69.07059	3.3
70.06589	1.9
71.04984	2.5
71.12031	0.8
71.28870	1.0
72.04515	1.9
73.02917	1.9
74.06084	3.4
77.96726	0.8
79.05494	13.8
80.05020	4.7
81.03420	27.9
81.07058	16.0
82.06570	3.8
83.05001	4.8
83.08619	8.5
84.04482	1.8
84.08147	0.9
85.02909	3.1
85.06541	1.0
86.06071	2.3
86.09668	0.9
91.03958	1.0
91.05482	24.8
92.07115	1.8
93.07046	10.2
94.06570	2.5
95.04971	27.5
95.08616	4.7
96.04508	4.3
96.08124	2.0
96.29175	0.7
97.02880	3.4
97.06522	3.3
97.10162	1.2
98.06042	2.0
99.08037	0.7
100.11238	1.3
105.07028	16.0
106.06517	1.0
107.04955	6.7
107.08606	8.1
108.08121	1.1
109.06516	7.4
109.10181	1.9
110.06044	1.1
111.04430	2.3
111.08083	2.6
112.07639	1.6
115.05443	1.2
117.07010	3.2
118.06618	0.8
119.04919	1.1
119.08568	9.6
120.08155	1.1
121.06508	2.2
121.10139	5.4
122.06025	1.1
123.08112	1.6
123.11700	1.1
126.05480	1.0
126.09190	1.8
127.03891	1.4
129.07001	9.4
130.61388	0.9
131.08566	9.6
133.06482	3.6
133.10136	11.7
135.08051	6.8
135.11687	3.2
136.07567	1.0
137.09563	1.5
142.07770	2.1
144.06583	0.8
145.10146	1.2
145.69237	0.9
147.08070	2.2
147.11694	11.3
149.09630	8.4
151.11159	9.3
157.10126	9.2
161.09734	1.2
163.11230	1.8
164.14352	5.1
165.12735	3.4
174.12794	2.3
175.11165	13.3
177.05531	1.2
182.15431	1.5
183.10172	0.9
192.13838	17.1
193.12271	13.4
194.12509	0.8
205.12273	1.1
210.14906	20.3
211.13306	2.2
266.17538	3.2
267.15887	24.3
268.16058	0.9
284.18616	5.8
302.19412	1.9
346.42657	0.9
349.21396	1.2
367.22705	1.0
384.25345	7.2
385.23630	4.3
402.26624	4.4
453.17221	0.8
459.27396	10.2
476.30127	9.0
477.28537	7.1
491.26187	1.2
494.31134	100.0
495.31442	8.6
518.30713	1.5
526.33563	1.4
536.32104	6.1
560.32556	1.1
572.31854	3.9
602.32800	3.4
620.33929	3.3
621.34607	1.1
638.34973	3.0
653.37463	0.9
656.36359	35.3
657.36395	3.5
688.38745	1.6
726.81659	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	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51870	0.2
53.59642	0.2
55.05511	1.1
56.05046	1.1
57.03435	0.4
57.07075	0.6
58.06609	0.4
60.08167	6.9
61.89574	0.2
63.29529	0.2
67.05513	2.0
69.03445	0.7
69.07079	0.5
69.12705	1.4
70.06567	0.2
71.05000	0.4
71.07378	4.0
77.83629	0.2
79.05487	1.7
81.03423	2.1
81.07053	2.5
83.04977	0.7
83.08627	0.8
85.02898	0.5
86.09708	33.3
87.04456	1.9
87.10036	0.6
91.05493	1.4
93.07036	1.5
95.04960	0.9
95.08611	1.3
97.02866	0.3
97.06525	0.2
97.10194	0.3
98.98468	3.7
104.10731	2.5
105.07058	1.4
107.04942	0.4
107.08609	1.1
109.02880	0.3
109.06505	0.4
109.10160	0.7
111.08072	0.3
117.07030	0.4
119.04853	0.3
119.08573	0.9
121.06515	0.2
121.10146	0.8
123.11646	0.3
125.00008	22.6
125.09618	0.3
129.05525	0.2
129.06964	0.5
131.08578	0.5
133.10101	0.6
133.17522	0.2
135.11685	0.4
143.01079	0.4
145.10164	0.3
147.11684	0.6
149.09599	0.3
157.10144	0.2
159.11711	0.4
175.11171	0.3
184.07349	100.0
185.07732	1.9
193.12250	0.8
211.13293	1.0
235.13409	0.2
261.22070	0.3
267.15811	0.6
275.20090	0.2
277.21823	0.3
285.16949	0.3
335.25876	1.1
346.25970	0.2
349.23669	0.3
544.36090	0.3
545.38599	1.1
706.46838	4.1
707.36438	0.5
707.46997	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	707.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
57.03443	0.7
57.07073	1.0
60.08173	1.0
60.81197	0.6
65.42712	0.5
67.05515	2.8
69.07069	1.2
71.04992	0.6
79.05498	2.5
81.03423	0.8
81.07050	2.6
83.08614	1.0
84.70019	0.6
86.09693	4.3
87.04469	2.7
91.05492	2.0
93.07047	2.2
95.08631	1.8
105.07043	1.9
107.08584	1.0
109.10153	0.8
109.99347	0.5
119.08555	1.0
121.06532	0.7
121.10132	0.8
125.00008	3.0
133.10194	1.1
145.10175	1.2
146.30713	0.6
156.41527	0.6
157.50821	0.7
184.07349	15.2
184.08925	1.0
185.07666	0.6
195.21368	0.5
335.26065	0.8
456.90054	0.8
535.26672	1.0
545.38177	1.1
707.37628	100.0
708.38013	14.2
708.49774	0.9
731.15820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.3
57.03431	1.1
57.07083	1.7
60.08164	1.2
64.54014	1.1
67.05505	3.2
69.07013	7.5
75.01005	1.0
79.05505	2.2
81.03423	1.5
81.07068	4.2
86.09679	5.1
87.04479	3.8
91.05502	2.2
93.07072	1.7
95.04958	1.1
95.08637	1.7
98.98506	1.6
105.07018	1.4
107.08612	1.2
109.06559	2.2
113.58743	1.1
119.08618	1.3
121.10189	1.1
125.00039	2.4
133.10115	1.2
145.10040	1.1
184.07355	15.1
185.07664	1.2
191.49945	0.9
199.54478	1.0
275.20038	1.1
429.15466	1.5
441.27100	1.0
466.35330	1.0
477.30203	1.1
545.38641	1.7
658.97278	1.3
707.37585	100.0
708.38043	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.9
57.03441	2.1
59.56060	1.4
61.02926	5.2
67.05507	7.1
67.84651	1.4
69.03432	5.8
71.30293	1.7
73.02914	4.3
75.71070	1.1
79.05499	4.5
81.07056	7.2
83.08632	1.3
85.02906	4.5
91.05484	1.8
93.07066	3.9
95.08622	3.2
97.02903	6.6
99.04471	1.4
99.69367	1.1
105.07043	1.4
107.08581	1.8
109.10222	1.4
119.08633	1.4
125.09658	2.0
135.11678	1.4
139.21889	1.2
144.87967	1.2
184.07504	1.5
243.08386	2.3
245.13937	1.6
385.63565	1.3
429.17343	4.6
505.52090	1.3
519.29761	7.1
707.39764	100.0
708.40070	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63139	0.8
51.02390	0.7
53.03941	1.7
55.01885	1.0
55.05498	1.1
57.03431	1.4
57.07064	2.3
60.12390	0.6
64.77086	0.7
67.05508	7.4
69.03432	7.1
69.07054	1.6
70.62759	1.5
71.04997	6.6
72.39522	0.7
77.36258	0.7
79.05491	6.9
81.03415	6.0
81.07040	2.2
83.04965	3.0
85.02906	6.9
85.06548	37.4
86.06934	0.7
87.04478	1.0
91.05483	6.7
93.07037	6.4
95.04958	2.3
97.02907	2.6
99.04440	1.6
99.08124	1.3
101.02354	0.8
103.05449	1.1
103.47220	0.8
105.07034	6.1
107.04964	3.2
107.08578	8.7
109.02870	3.7
109.06494	2.7
111.04460	4.3
117.07007	2.4
119.08572	5.9
121.06508	4.3
121.10165	6.6
123.04415	1.4
123.08070	0.8
125.06016	2.9
127.03922	6.4
127.62631	0.8
129.07030	3.3
131.08571	26.7
132.08932	1.3
133.10149	1.5
135.11702	1.2
137.09619	1.7
139.07437	0.8
143.08635	1.0
145.10129	11.4
147.04439	1.1
147.08038	2.8
147.11661	1.0
149.05983	1.1
149.09633	21.9
151.07542	1.1
153.01822	1.4
153.05492	0.8
155.07088	1.0
155.08549	1.5
159.08118	0.9
161.09644	1.1
163.07527	1.6
163.11205	9.1
165.09077	4.6
167.07054	1.4
167.10675	13.0
173.09679	4.0
175.03946	1.9
179.10727	1.3
185.02393	0.8
187.03925	4.6
191.10672	30.5
192.11043	1.1
201.01880	2.0
203.03369	3.3
209.11739	39.5
210.12091	1.6
213.01878	3.7
215.03362	4.3
217.01355	1.1
227.12788	62.8
228.13179	3.0
229.01338	2.9
230.02011	0.9
231.02901	19.9
232.03268	1.0
237.11220	1.4
241.01283	4.3
247.02408	2.1
249.11287	1.0
257.00827	8.0
259.02390	36.5
260.02795	1.6
275.01920	8.8
276.02591	3.3
277.03448	100.0
278.03754	5.1
285.00305	8.3
303.01364	92.5
304.01599	4.8
317.13812	1.1
318.60968	0.9
321.02499	3.2
395.76053	0.8
447.05804	1.7
465.06570	7.7
466.06732	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	708.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91940	3.3
52.27648	3.5
53.03964	4.8
54.80674	3.5
55.01883	20.2
55.05519	36.3
57.03449	32.9
61.02932	4.4
65.03940	6.0
67.05505	60.5
69.03438	12.2
69.07079	16.3
69.59591	18.4
71.05013	8.2
73.02940	8.8
79.05500	64.8
81.03427	95.0
81.07065	49.4
83.04992	29.9
83.08621	40.3
83.18099	3.7
83.42060	3.5
85.02904	35.2
85.06534	4.7
91.05484	64.5
93.07046	45.3
95.04985	45.1
95.08606	22.6
97.02866	18.2
97.06561	11.8
97.10184	14.6
98.07341	5.6
98.23338	5.1
99.04480	3.9
105.07030	39.5
105.34612	3.5
107.04987	19.4
107.08592	19.8
109.02901	4.4
109.06534	9.5
109.10173	22.8
111.04437	5.5
111.08060	17.5
113.05984	5.1
115.21716	4.3
116.04732	10.6
117.07047	9.6
119.08599	27.7
121.06556	10.6
121.10165	20.3
123.08079	10.8
125.09632	19.1
127.11156	4.2
129.05505	33.9
129.06970	8.4
131.08609	21.8
133.10144	21.1
135.08057	5.2
135.11707	10.9
137.05962	4.4
137.09650	5.2
143.07039	5.9
145.02924	6.2
145.10118	10.1
147.04448	6.6
147.08011	5.1
147.11678	29.1
149.09660	13.2
153.12755	6.8
157.08777	9.1
157.10153	21.3
163.11186	11.5
165.12785	7.1
171.10176	6.0
173.09663	4.7
173.11755	6.2
175.11203	22.7
177.05542	6.5
181.12279	7.4
189.11227	7.2
191.10686	6.1
193.12265	86.8
199.13284	9.9
199.51851	3.6
200.14116	4.3
209.11723	11.2
210.12381	4.5
211.13295	100.0
211.15178	6.3
220.73546	3.9
227.12814	14.6
267.15854	27.9
283.15338	21.1
285.17007	56.7
301.16504	57.9
302.17084	5.4
317.06482	6.6
439.27023	11.8
447.27701	4.9
461.29248	7.0
493.27756	26.7
494.28207	4.5
511.28912	55.7
512.29578	5.4
539.20215	3.9
543.45300	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	708.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01868	2.2
55.05514	8.7
57.03440	10.5
57.07080	1.0
64.10625	0.7
65.03939	1.6
67.05506	31.0
69.03432	1.1
69.07079	10.7
70.20462	2.8
71.04993	3.3
79.05495	19.6
81.03423	49.3
81.07060	41.6
83.04992	6.2
83.08145	1.3
83.08623	16.2
83.79601	0.9
85.02913	1.6
85.06544	3.0
91.05484	17.5
92.05818	0.9
93.06471	1.7
93.07049	29.1
95.04973	14.7
95.08604	9.3
97.02881	1.6
97.06535	6.4
97.10166	2.4
99.08112	2.1
105.07034	9.6
107.04967	2.9
107.08600	17.5
109.06503	3.1
109.10153	2.1
111.04433	1.3
111.08086	6.9
117.07030	4.4
119.08586	8.4
121.06509	3.0
121.10159	11.2
123.04378	1.3
123.08096	1.5
123.11666	2.2
125.09619	1.0
129.07037	4.1
131.08565	6.3
133.06479	1.5
133.10130	6.0
135.08066	1.2
135.11728	5.4
142.07718	1.3
145.10124	1.6
147.08099	1.2
147.11682	4.9
149.09599	3.7
149.13271	15.1
151.11174	1.3
157.10143	6.0
159.11687	6.2
165.12769	1.1
175.11200	5.3
177.12738	2.4
193.12250	11.6
195.13785	4.4
200.93120	0.9
211.13322	1.2
249.14986	1.7
267.15921	54.0
268.16339	2.4
269.17474	56.1
270.17816	3.9
369.23627	0.8
387.25299	0.9
388.84326	0.8
417.26257	1.0
435.27362	3.7
443.27783	2.6
453.28571	1.8
461.28992	100.0
462.29318	11.6
479.29962	4.7
503.30304	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	708.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01876	3.1
55.05515	18.1
57.03440	11.1
57.07075	1.5
61.02934	2.7
65.03940	2.6
67.05506	66.0
68.05828	1.7
69.03440	4.2
69.07079	10.9
69.63653	4.2
69.64056	3.0
71.04996	25.4
75.62421	1.6
76.38685	1.4
79.05494	33.5
81.02928	1.7
81.03423	47.9
81.07059	100.0
83.04994	15.2
83.08627	26.3
85.02914	19.7
85.06541	10.1
91.05486	50.7
93.07049	31.7
93.57666	1.1
95.04969	23.1
95.08619	15.4
97.02892	3.4
97.06551	6.2
97.10191	5.9
98.23317	2.9
99.08092	2.9
103.05493	1.4
105.04501	1.5
105.07032	28.4
107.04962	6.0
107.08602	15.7
109.06530	6.0
109.10184	8.2
111.04446	1.5
111.08069	10.2
113.06019	2.7
115.05458	2.3
117.07042	5.3
119.08595	13.0
121.06496	2.4
121.10149	11.9
123.08083	2.9
123.11713	14.5
125.09657	3.2
129.07022	8.9
131.08585	11.9
133.06494	2.3
133.10130	26.4
135.11731	4.2
137.09642	1.9
142.07832	2.9
147.08119	2.7
147.11696	11.8
149.09650	6.0
149.13239	9.0
150.31406	1.6
151.11140	7.1
157.10130	11.3
159.11703	4.5
165.12776	2.7
175.11211	9.8
177.12770	3.9
183.13821	2.7
187.13376	4.7
193.12247	26.1
195.13811	4.0
211.13330	25.6
212.13649	1.8
225.14909	2.4
243.15924	2.9
253.17860	1.9
257.17584	2.2
267.15921	29.6
268.16455	1.6
269.17447	22.7
285.16940	16.4
286.17444	1.9
301.20120	18.5
369.24161	2.1
404.03656	1.7
417.26520	2.7
435.27466	28.2
435.33194	1.3
436.27777	1.7
441.86121	1.5
443.27945	4.2
453.28485	62.8
454.29007	7.2
461.28967	64.0
462.29376	6.9
467.29971	6.3
479.30045	46.2
480.30252	3.8
493.31604	4.8
511.32697	42.6
512.32776	4.1
607.48199	1.6
656.89563	1.7
709.34308	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	708.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57575	1.7
53.03936	7.4
55.01865	8.9
55.05515	36.9
56.05847	2.6
57.03447	10.6
57.07087	3.1
59.04986	2.2
60.08164	3.0
65.03908	1.9
65.20504	1.9
67.05505	68.0
69.03412	3.4
69.07069	31.5
69.73602	1.8
71.04653	1.7
71.04985	9.8
71.08633	2.5
79.05494	60.9
81.03414	6.8
81.07056	100.0
82.07384	2.8
83.04985	11.2
83.08623	33.4
85.02940	2.2
85.06532	5.6
86.09707	10.7
91.05479	47.1
93.07046	48.6
95.04966	30.5
95.08052	3.0
95.08614	37.0
97.06534	12.0
97.10162	6.3
98.98505	1.9
105.07031	42.4
107.04948	18.7
107.08585	30.6
109.06516	22.9
109.10170	14.6
111.08085	8.3
117.07006	16.9
119.08593	34.7
121.06505	7.2
121.10133	23.4
123.08060	9.9
123.11713	6.3
124.99987	9.2
125.09612	2.8
129.07057	4.3
130.02559	1.8
131.08580	20.6
133.10126	26.8
135.08067	7.4
135.11707	9.8
137.09618	5.7
141.06924	2.0
143.08569	5.0
145.06523	2.8
145.10129	20.6
147.08072	3.5
147.11693	19.8
149.09634	21.0
149.13237	13.9
151.11145	2.9
155.08554	3.6
157.10117	6.0
159.11682	15.7
161.13268	3.5
163.11186	18.1
165.12769	6.0
169.10156	2.2
171.11719	5.2
173.09666	2.5
173.13269	5.8
175.11176	4.2
177.12735	6.9
179.14354	2.3
183.11728	3.8
184.07352	44.8
187.11162	2.8
187.14720	1.9
191.14183	2.6
193.12279	2.8
195.13821	3.5
197.13237	2.8
205.12248	4.8
219.13661	3.0
229.19447	4.2
239.17902	3.3
247.20628	5.2
257.18933	9.6
269.17459	13.0
275.20062	80.6
276.20419	5.7
293.21112	12.4
331.22894	2.4
335.25769	11.0
349.23718	68.1
350.23920	5.6
367.24802	34.0
381.26517	16.0
389.06665	2.6
529.39423	11.2
575.39221	4.1
623.43115	21.3
624.43878	3.3
641.35956	1.8
641.44244	22.4
642.43903	3.8
655.44952	6.7
673.46588	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	708.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	1.1
53.03946	3.8
55.01871	5.1
55.05515	18.4
57.03440	6.3
57.07077	1.9
59.04995	1.0
59.72351	0.8
60.64530	0.9
65.03955	2.7
67.05509	44.9
68.41129	0.7
69.01374	0.8
69.02319	5.0
69.03432	2.5
69.07075	21.9
71.04996	16.4
73.06611	0.9
73.27291	0.8
79.05497	38.5
80.05853	0.9
81.03423	5.5
81.07061	100.0
82.07381	1.2
83.04982	7.1
83.08619	14.0
85.06542	2.9
86.09709	1.5
91.04901	1.3
91.05020	0.6
91.05482	32.7
93.07048	33.4
94.07383	1.1
95.04978	10.4
95.08610	31.1
97.06534	8.1
97.10176	2.6
99.04453	1.1
99.08119	3.9
100.44437	0.9
103.05456	1.2
105.07033	31.3
107.04971	9.9
107.08603	19.9
107.09301	1.6
109.06522	25.4
109.07258	1.7
109.10162	9.9
109.52135	0.8
111.04448	7.1
111.08091	6.5
113.06034	1.0
113.09669	2.7
115.05437	1.0
117.07015	9.3
119.08585	26.6
121.06511	6.1
121.10150	15.1
121.11011	0.9
123.08087	8.7
123.11705	6.0
124.99963	1.5
125.06004	1.7
125.09644	2.2
127.07601	1.5
129.06982	4.5
130.07785	0.9
131.08569	13.0
133.06494	2.3
133.10130	17.6
135.08047	5.0
135.11691	8.5
137.06050	0.8
137.09615	6.1
137.13335	0.9
141.06995	1.2
143.08580	3.0
145.06529	0.9
145.10115	12.7
147.08086	2.0
147.11693	19.1
149.09645	9.4
149.13277	7.5
151.11203	3.8
153.24582	1.1
157.10150	5.0
159.11711	8.5
161.09648	2.5
161.13300	4.2
163.11182	9.7
163.14819	3.2
165.12767	5.3
169.10153	2.2
171.11728	3.1
173.09598	1.2
173.13300	4.0
175.11237	4.1
175.14804	1.2
177.12778	3.7
179.14276	1.8
182.25847	0.8
183.11685	2.1
184.07286	5.8
187.11203	1.7
187.14873	2.0
191.14360	1.1
193.12300	2.2
195.13863	1.3
197.13405	2.0
201.12772	1.1
203.14494	0.8
205.15831	0.9
213.16483	1.1
215.17978	1.1
217.16136	1.1
229.19586	2.9
239.17963	2.9
247.20622	4.9
248.62013	1.0
253.48132	0.8
256.73395	1.1
257.19043	5.0
267.15891	2.6
275.20065	79.2
276.20343	5.9
293.21127	11.2
294.21564	0.9
307.22705	9.1
331.22562	1.5
349.23773	42.5
350.24094	3.6
367.24802	47.1
368.25131	3.6
378.37973	0.9
381.21411	1.8
381.26346	32.3
382.26712	2.6
473.49854	1.0
531.08777	1.0
623.33850	1.4
623.43109	16.9
624.43036	3.3
641.34253	0.9
641.44196	14.9
642.44330	2.4
655.45856	4.7
659.45093	3.5
673.46930	16.1
674.46533	2.9
708.09027	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	709.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
54.04232	0.4
55.05524	1.4
57.03451	1.7
61.02929	4.1
62.13720	0.5
66.25610	0.4
67.05513	5.6
69.03438	2.5
69.07083	0.9
69.79712	2.1
71.05006	3.3
73.02941	2.9
75.11368	0.4
79.05499	3.7
81.03432	2.0
81.07064	5.6
83.04982	0.8
83.08633	0.9
85.02911	4.4
86.09715	1.3
91.03982	2.6
91.05491	5.1
93.07063	4.2
95.04986	1.3
95.08627	1.7
97.02906	3.4
97.06548	0.9
101.02425	1.7
105.07036	2.5
107.08634	1.7
109.02934	0.6
109.10140	1.0
111.90169	0.5
117.07058	0.8
119.08587	0.9
121.10173	1.3
123.11746	1.0
125.00024	0.9
127.03950	1.0
129.07045	0.8
131.08612	1.0
133.10152	1.9
145.10173	1.0
147.11696	1.0
151.11221	1.2
153.45987	0.4
171.11711	0.9
183.13835	0.6
184.07330	3.1
203.05313	0.7
210.88560	0.5
243.08380	2.6
247.13153	1.2
257.17532	0.5
267.15649	1.1
303.15564	0.7
315.11212	0.5
453.20853	0.6
465.21036	6.5
485.23630	6.4
486.23843	0.7
694.06207	0.5
709.37677	100.0
710.38068	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	709.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
67.05506	0.9
69.34980	0.6
79.05501	2.1
81.03422	5.0
81.07060	1.6
83.08629	1.1
85.02926	1.0
87.23987	0.6
91.05463	1.4
93.07068	1.0
95.04994	1.5
100.11326	0.6
102.01515	0.6
105.07027	1.0
107.04939	0.9
109.02679	0.7
110.03446	2.0
117.03404	0.6
119.08607	1.7
123.04269	0.7
131.08562	0.7
137.05997	1.1
145.02888	0.8
145.06506	0.8
146.50729	0.6
147.04442	0.9
147.11687	0.8
149.05794	1.3
157.10172	1.0
162.76225	0.8
165.08987	1.7
167.77890	0.6
175.07512	0.6
175.50432	0.6
177.05534	2.1
181.12099	0.7
193.08434	1.2
193.12225	1.9
194.09142	1.2
205.04897	0.8
207.09991	2.3
211.13419	0.8
219.13669	1.3
222.08749	1.1
228.80426	0.7
235.09459	5.4
235.13135	2.8
237.14778	0.9
245.11520	3.6
263.12512	3.5
267.15933	5.3
285.17059	1.1
305.17700	1.0
305.20831	3.4
305.23965	0.6
316.20181	1.1
317.06711	1.2
319.22235	1.7
321.20526	2.5
329.20978	1.6
330.21677	1.3
347.21994	2.2
349.19839	6.3
361.09030	1.1
363.21576	2.0
371.09583	4.4
393.34476	0.6
415.24722	1.4
429.26245	2.1
459.27618	3.2
466.30841	1.0
472.44589	0.6
477.28595	2.7
484.31628	14.1
485.32330	3.9
500.31226	11.9
501.31763	3.8
510.29736	1.3
511.30408	1.8
528.30652	17.4
529.31195	6.6
530.31976	0.9
546.32355	0.7
547.32111	1.4
647.37836	7.2
663.37183	4.8
673.35242	1.4
691.36609	42.3
692.37317	6.2
709.19055	10.4
709.37634	100.0
710.25238	4.8
710.37408	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01879	0.6
55.05510	1.2
57.03426	1.9
61.02936	3.4
67.05506	3.7
69.03436	2.0
69.07065	1.1
71.04997	2.6
73.02914	2.2
79.05494	4.0
81.03423	2.0
81.07063	5.7
83.05003	0.7
83.08611	0.7
85.02916	2.1
87.04473	0.6
91.03967	1.8
91.05476	4.0
93.07040	4.1
95.05001	1.0
95.08626	1.9
96.18067	0.5
97.02905	3.0
97.06557	0.7
99.04477	0.6
101.02390	1.6
105.07048	2.2
107.08605	1.9
109.06521	0.6
109.10208	0.7
117.05705	0.4
117.06998	0.7
119.08584	1.3
121.10165	0.7
123.08087	0.6
125.00002	0.6
127.03932	0.9
129.07047	0.7
131.08578	0.6
133.10159	2.0
135.11612	0.5
143.08600	0.4
145.10191	0.6
147.11707	1.4
161.13254	0.4
171.11740	0.6
184.07401	2.0
243.08557	1.5
247.13176	0.6
262.57382	0.4
267.15750	1.3
305.43640	0.5
326.62726	0.5
392.43613	0.5
453.21112	0.6
459.92252	0.5
465.20984	8.5
485.23575	6.0
677.34607	0.5
709.37671	100.0
710.37982	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
65.03944	0.7
71.29221	0.7
79.05484	1.5
84.19321	0.8
91.05469	3.3
93.07053	1.0
94.04176	3.9
95.04972	0.7
103.05467	1.2
105.07009	4.4
108.05740	1.1
109.06513	19.4
112.77327	0.6
117.40944	0.6
118.04189	0.8
118.06544	15.0
119.07341	1.1
121.06511	14.5
123.08054	1.5
128.50363	0.6
133.06491	38.1
134.06807	1.4
135.06798	2.4
135.08040	2.7
137.05974	94.6
138.06276	3.2
150.09138	85.2
151.07500	1.7
151.09419	3.7
161.05981	9.7
179.07030	100.0
180.07408	3.9
196.09692	93.6
197.09969	3.8
249.40836	0.7
269.92709	0.7
308.42575	0.7
334.87912	0.9
386.74957	0.7
519.90778	1.0
609.00641	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	710.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
51.02386	0.5
53.03952	0.2
55.01862	0.2
57.03434	0.1
64.15138	0.1
65.96281	0.1
69.03423	0.5
70.85180	0.2
71.05013	0.2
79.01856	3.4
79.05515	0.2
80.02181	0.1
81.03420	1.2
83.05006	0.1
87.00826	0.2
91.05475	0.1
97.02905	1.3
103.05399	0.1
105.07050	0.2
107.01315	1.0
107.08591	0.2
109.02878	1.4
114.04472	0.1
120.08142	0.2
121.06490	0.2
125.02352	2.1
127.03935	1.5
129.07080	0.1
131.04956	0.2
131.08543	0.3
143.03407	4.7
144.03760	0.1
149.09644	0.2
153.01834	100.0
153.02815	4.6
154.02173	2.4
154.03415	0.2
159.04457	0.3
163.03876	0.1
163.11198	0.1
171.02895	2.5
177.05548	0.2
181.01337	0.4
187.03818	0.2
191.03397	0.2
191.10674	0.2
192.06078	0.1
197.00775	0.1
202.05032	0.2
202.08640	0.4
203.08951	0.2
205.04941	0.3
209.11731	0.3
215.03331	0.1
217.04999	0.3
223.31871	0.1
227.12769	0.2
233.04366	0.9
237.04018	0.3
243.02835	0.2
245.44203	0.1
248.09105	0.2
249.09430	0.2
261.03918	1.3
279.05011	1.4
297.06049	4.6
315.06955	0.1
336.15518	0.1
449.07050	0.5
467.08255	4.4
468.08438	0.3
592.98523	0.1
632.31763	0.1
701.66595	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	710.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02383	0.6
51.77705	0.2
53.03937	0.3
59.96293	0.2
67.43960	0.2
69.03416	0.7
70.06593	0.2
70.68132	0.2
70.68466	0.3
72.35245	0.2
79.01859	3.6
81.03430	1.4
88.41093	0.2
91.05476	0.2
97.02886	1.3
105.06976	0.2
107.01324	0.7
109.02887	1.9
113.16157	0.2
120.08100	0.3
121.06558	0.2
125.02355	2.7
127.03929	1.7
131.04976	0.2
131.08607	0.4
143.03419	5.0
145.10226	0.2
153.01837	100.0
153.02853	4.7
154.02170	2.6
159.04510	0.3
163.04004	0.2
171.02905	2.3
177.05460	0.3
181.01448	0.3
183.02890	0.2
183.99713	0.2
184.51901	0.1
191.00041	0.2
205.04955	0.3
215.03467	0.2
217.04877	0.2
233.04477	1.0
237.03969	0.4
241.73334	0.2
242.72780	0.2
243.03055	0.3
261.04001	1.2
279.04971	1.0
297.06067	4.1
298.06232	0.2
425.68268	0.2
449.07065	0.3
467.08228	4.4
468.08716	0.3
482.50989	0.2
571.44409	0.2
593.98651	0.2
615.79224	0.2
720.03430	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	710.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.6
53.03960	0.6
53.58147	0.6
55.01871	1.0
62.40432	0.6
64.70759	0.5
69.03439	3.4
71.30726	0.5
79.01848	2.7
79.05521	0.9
81.03422	5.4
83.54397	0.6
84.63538	0.5
85.02901	3.3
85.25354	0.5
91.05476	2.8
93.07034	0.7
95.04979	0.5
97.02906	4.7
99.04435	0.9
103.03938	0.9
103.05479	3.7
105.07024	1.4
107.01310	0.7
107.04958	3.6
109.02883	4.2
111.04488	0.8
113.00883	0.5
115.05480	0.9
119.04924	1.5
121.06576	0.7
122.03634	1.5
123.04449	0.5
125.02363	1.7
127.03916	5.9
129.06999	0.8
131.04927	7.4
133.02872	0.7
133.06454	1.0
135.08073	0.9
137.05992	12.2
141.90765	0.6
143.03398	4.5
145.02872	0.6
145.05026	0.6
147.04428	1.9
149.05960	2.8
151.03954	0.6
151.07549	4.6
153.01839	100.0
154.02184	3.0
157.06505	0.6
157.49634	0.6
161.05992	11.0
161.09636	2.4
162.06760	1.4
163.07564	9.4
169.06482	1.0
171.02892	10.3
175.07562	2.8
177.05464	1.4
179.06976	0.6
181.08600	1.3
189.09103	5.5
191.07018	1.5
193.06473	0.6
195.08035	1.0
203.07039	2.6
207.10211	6.7
213.03981	1.0
219.10153	1.3
227.10754	1.0
229.08636	1.9
233.08131	3.0
249.11287	0.9
253.12227	0.8
255.05054	1.7
255.10156	1.0
257.08203	3.5
271.06024	2.6
273.64056	0.6
275.09149	1.3
279.05136	0.9
281.11899	0.7
283.06119	0.8
285.11292	1.1
287.12863	1.5
297.06055	5.7
301.06995	1.3
311.12811	1.7
313.14322	2.1
315.07123	13.1
331.15387	4.4
343.15424	1.1
445.11292	1.5
463.12540	0.9
711.13770	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	710.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05510	0.6
56.05042	0.7
57.03432	0.5
58.06625	0.6
60.08166	6.3
67.05508	1.4
69.03394	0.2
69.05260	0.5
69.05664	1.1
69.07080	0.3
70.06599	0.3
71.04962	0.3
71.07376	3.4
75.09843	0.2
79.05498	1.2
81.03419	2.6
81.07060	1.5
82.07374	0.2
83.04989	0.7
83.08604	0.7
85.02891	0.4
86.09706	30.8
87.10015	0.3
91.05482	1.8
93.07073	0.9
95.04955	1.2
95.08595	0.7
97.06532	0.2
97.10160	0.3
98.22537	0.4
98.98461	4.1
104.10739	2.5
105.07017	1.0
107.04974	0.4
107.08598	0.8
107.56034	0.2
109.06476	0.3
111.04446	0.3
112.36964	0.2
117.07023	0.3
117.31905	0.2
119.08593	1.1
121.06506	0.3
121.10152	0.6
125.00007	20.4
125.09613	0.2
129.07030	0.5
131.08556	0.6
133.10115	1.1
137.09602	0.3
143.01062	0.4
145.10104	0.3
147.11702	0.6
149.09703	0.2
157.10057	0.4
168.13847	0.4
173.13361	0.2
175.11240	0.6
184.07344	100.0
185.07701	1.9
186.15800	0.2
193.12225	1.2
211.13274	0.8
225.27086	0.2
267.15952	1.8
268.16235	0.2
285.16888	0.9
385.23843	0.4
445.25748	0.4
459.27289	1.4
463.26990	0.3
477.28455	2.3
478.28714	0.4
486.34119	0.3
495.29193	0.6
535.21960	0.2
660.35022	9.1
661.35455	1.6
711.31628	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	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01869	3.2
55.05515	12.9
57.03440	12.7
58.31185	0.9
59.05016	0.8
61.02914	1.7
65.03939	1.9
67.05180	1.5
67.05508	18.0
69.03435	5.1
69.07078	6.0
69.17819	6.2
71.04982	3.4
79.05061	1.7
79.05494	21.0
81.03422	69.4
81.07059	21.2
82.03739	1.9
83.04983	8.8
83.08626	22.2
85.02914	11.7
85.06533	1.5
86.09689	2.5
91.05488	30.6
93.07049	15.4
95.04359	1.7
95.04972	28.7
95.08615	9.3
96.05294	1.0
97.02901	4.1
97.06541	3.5
97.10180	4.7
97.69327	0.8
99.08131	0.8
103.05457	1.3
105.07039	21.4
106.07341	1.0
107.04946	6.8
107.08608	8.5
109.06519	5.4
109.10137	4.3
111.04440	2.4
111.08080	9.0
113.06018	1.6
115.05448	2.0
117.07045	2.5
118.75919	1.0
119.08585	17.3
121.06518	6.6
121.10143	10.1
123.04487	1.2
123.08093	2.6
123.11700	2.0
124.99966	1.3
125.09620	2.9
128.06178	1.1
129.07022	10.3
131.08575	13.4
132.08966	1.0
133.06468	3.7
133.10156	8.4
135.08049	1.3
137.09607	2.1
139.11299	1.4
141.06982	1.5
142.07780	3.1
143.08565	2.1
145.02832	1.2
145.06496	3.9
145.10135	3.4
147.08101	5.0
147.11690	10.5
149.09605	8.5
151.11171	1.4
153.01807	2.1
155.08578	1.3
157.06509	1.9
157.10143	13.4
159.08067	1.4
161.09561	1.7
163.03879	2.4
163.11143	2.2
165.12755	3.0
171.08131	1.3
171.11708	1.1
175.11192	12.1
177.05472	1.5
184.07379	9.9
185.13434	1.0
193.12242	34.0
195.11687	1.5
211.13304	19.0
212.27663	1.0
219.13776	1.6
225.12572	1.3
229.14334	1.1
231.13931	1.2
237.12703	1.1
249.15009	1.8
255.13892	2.0
267.15918	100.0
268.16312	5.0
273.14798	3.2
285.16986	23.7
286.17346	1.6
287.16547	1.3
320.54950	0.9
349.21680	2.6
367.22760	9.2
385.23730	12.5
400.40741	0.9
403.24677	3.6
405.24606	1.1
415.24646	1.2
431.28101	1.1
433.25906	12.2
441.26279	4.5
452.33093	0.9
459.27435	61.0
460.27753	7.7
477.28488	38.4
478.28552	4.1
495.29132	4.1
519.29712	1.7
692.36365	1.9
710.22711	1.0
710.37897	3.6
711.31415	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	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27864	1.1
53.03933	3.3
55.01877	2.7
55.05512	12.9
57.03435	13.5
59.60719	1.0
61.39515	0.9
64.89118	1.1
65.03919	2.0
67.05504	14.8
69.03436	4.2
69.07068	5.0
70.27002	1.2
71.05002	3.0
72.56628	1.1
79.05497	20.4
79.05916	0.7
81.03420	76.8
81.07059	20.4
83.04977	10.8
83.08617	22.8
85.02911	8.9
85.06570	1.4
85.38346	1.1
88.08482	1.0
90.91924	1.1
91.05484	26.0
93.07046	12.1
95.04971	27.0
95.05556	1.7
95.08609	7.9
97.02893	3.2
97.06535	2.3
97.10168	5.8
105.07036	18.3
106.07377	1.4
107.04953	8.6
107.08614	6.3
109.06533	3.9
109.10184	3.3
111.04468	2.1
111.08075	8.6
115.05496	1.4
117.07040	2.3
119.04961	1.5
119.08585	15.4
121.06518	4.8
121.10141	7.1
123.08058	2.5
123.11703	2.0
125.09632	2.6
129.06999	12.3
131.08560	12.3
133.06505	3.4
133.10132	8.3
137.05957	1.5
137.09634	2.3
142.07767	2.8
145.06506	3.0
145.10130	2.9
147.08070	3.8
147.11691	10.2
149.09621	5.8
155.08643	1.9
157.10129	10.6
163.11223	1.3
165.12749	2.3
167.08638	1.5
175.11174	11.6
189.11259	2.0
193.12244	30.9
194.68039	1.4
195.11702	1.4
205.12126	1.4
209.11662	1.1
211.11440	2.1
211.13301	17.4
211.15149	1.5
212.13567	1.3
229.14337	1.9
233.15358	1.9
249.14967	2.2
255.13976	1.4
267.15912	100.0
268.16348	5.9
273.14972	4.1
285.16983	18.3
286.17355	1.3
349.21539	2.1
367.22681	9.2
368.22946	1.4
385.23657	10.8
386.24042	1.5
389.49796	1.2
403.24759	3.2
433.25937	12.9
441.26361	4.5
459.27420	60.5
460.27786	8.6
477.28473	40.0
478.28702	4.8
495.29568	2.7
503.43378	1.2
529.52344	1.3
627.10004	1.1
710.37811	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	710.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01866	1.3
55.05278	0.9
55.05519	12.7
55.42128	0.6
57.03440	11.6
57.07070	2.4
61.02891	1.0
65.03941	2.8
65.80131	0.6
67.05509	58.2
68.05823	1.3
69.03430	1.8
69.07074	11.8
70.07394	0.7
71.04969	1.9
71.08618	0.9
72.36656	0.7
73.02904	1.1
77.38622	0.7
79.05499	30.1
80.05816	0.9
80.23814	0.6
81.03415	1.9
81.07062	42.3
82.07386	1.5
83.04977	2.3
83.08614	5.5
85.02900	1.8
85.06540	1.7
91.05486	86.8
92.05812	3.0
93.07047	30.7
94.07374	1.5
95.04959	4.8
95.08613	28.3
96.08929	0.9
97.02904	0.9
97.06519	1.8
97.10170	2.5
99.08067	1.1
103.05463	0.7
105.07037	40.3
106.07378	1.4
107.08599	15.8
108.08953	0.8
109.06516	1.6
109.09452	1.0
109.10159	13.5
111.04466	1.3
111.08092	0.9
115.05456	1.2
115.18185	0.7
117.07028	5.6
119.03452	0.9
119.08594	10.0
120.08931	0.7
121.10150	12.8
122.10496	0.6
123.08075	0.9
123.11721	4.1
124.12009	1.0
125.09661	1.4
128.06239	2.5
131.08575	9.0
133.10138	91.8
134.10472	4.5
135.11700	9.6
137.13263	1.6
139.11148	0.7
143.08548	6.4
145.10124	5.5
147.11696	3.5
149.09615	1.2
149.13268	3.5
151.11183	4.1
159.08096	1.5
159.11705	3.2
161.09637	15.1
161.13280	3.1
163.11197	1.9
163.14812	1.0
165.12730	0.9
171.11703	0.9
173.13304	2.0
179.10684	2.5
187.14839	1.2
193.12190	0.9
197.11691	3.3
212.03445	0.7
235.13248	0.8
243.21051	2.4
246.43639	0.7
251.12825	2.3
253.14362	58.3
254.14703	3.4
261.22098	7.1
275.20245	1.2
317.24652	1.8
335.25821	100.0
336.26157	11.2
421.31021	1.7
490.36136	1.4
513.35773	72.7
514.36029	10.6
531.37170	1.3
548.40106	0.8
595.47174	1.7
678.44037	0.8
711.44183	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	710.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01866	1.3
55.05278	0.9
55.05519	12.7
55.42128	0.6
57.03440	11.6
57.07070	2.4
61.02891	1.0
65.03941	2.8
65.80131	0.6
67.05509	58.2
68.05823	1.3
69.03430	1.8
69.07074	11.8
70.07394	0.7
71.04969	1.9
71.08618	0.9
72.36656	0.7
73.02904	1.1
77.38622	0.7
79.05499	30.1
80.05816	0.9
80.23814	0.6
81.03415	1.9
81.07062	42.3
82.07386	1.5
83.04977	2.3
83.08614	5.5
85.02900	1.8
85.06540	1.7
91.05486	86.8
92.05812	3.0
93.07047	30.7
94.07374	1.5
95.04959	4.8
95.08613	28.3
96.08929	0.9
97.02904	0.9
97.06519	1.8
97.10170	2.5
99.08067	1.1
103.05463	0.7
105.07037	40.3
106.07378	1.4
107.08599	15.8
108.08953	0.8
109.06516	1.6
109.09452	1.0
109.10159	13.5
111.04466	1.3
111.08092	0.9
115.05456	1.2
115.18185	0.7
117.07028	5.6
119.03452	0.9
119.08594	10.0
120.08931	0.7
121.10150	12.8
122.10496	0.6
123.08075	0.9
123.11721	4.1
124.12009	1.0
125.09661	1.4
128.06239	2.5
131.08575	9.0
133.10138	91.8
134.10472	4.5
135.11700	9.6
137.13263	1.6
139.11148	0.7
143.08548	6.4
145.10124	5.5
147.11696	3.5
149.09615	1.2
149.13268	3.5
151.11183	4.1
159.08096	1.5
159.11705	3.2
161.09637	15.1
161.13280	3.1
163.11197	1.9
163.14812	1.0
165.12730	0.9
171.11703	0.9
173.13304	2.0
179.10684	2.5
187.14839	1.2
193.12190	0.9
197.11691	3.3
212.03445	0.7
235.13248	0.8
243.21051	2.4
246.43639	0.7
251.12825	2.3
253.14362	58.3
254.14703	3.4
261.22098	7.1
275.20245	1.2
317.24652	1.8
335.25821	100.0
336.26157	11.2
421.31021	1.7
490.36136	1.4
513.35773	72.7
514.36029	10.6
531.37170	1.3
548.40106	0.8
595.47174	1.7
678.44037	0.8
711.44183	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	710.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
55.01874	18.7
55.05513	62.2
55.51457	2.1
57.03442	13.3
57.07067	2.6
57.19565	2.3
65.03951	3.7
67.05509	69.4
69.03436	7.3
69.07074	32.1
69.57771	2.2
71.04983	6.3
79.05495	69.5
81.03406	13.7
81.07060	100.0
82.07390	4.9
82.19184	2.8
83.04981	22.8
83.08150	3.5
83.08626	46.2
85.02912	9.0
85.06547	4.1
91.05482	57.8
93.07051	53.7
94.07352	3.5
95.01327	2.6
95.04972	66.6
95.08610	33.7
96.05295	2.5
97.06534	10.5
97.10168	28.5
99.04464	7.7
105.07032	46.0
106.07410	3.1
107.04967	25.1
107.08591	45.0
108.08915	2.8
109.06516	19.3
109.10168	21.4
109.24170	2.7
111.04432	18.3
111.08075	12.8
117.07033	22.5
119.08589	40.7
120.27928	2.3
121.06500	12.6
121.10141	28.2
122.10475	3.1
123.08070	25.0
123.11695	3.9
125.09636	28.3
128.06218	4.2
129.07021	8.9
130.07718	2.9
131.08565	26.7
133.06493	6.5
133.10143	24.6
135.08095	11.2
135.11696	25.1
137.09633	9.7
139.11188	5.0
143.08549	8.7
145.06514	3.2
145.10123	34.4
146.10458	4.7
147.08083	13.7
147.11710	16.6
149.09610	29.9
149.13171	4.0
153.09093	5.2
153.12730	10.4
155.08559	4.4
157.10114	10.8
159.08130	2.6
159.11722	14.6
161.09621	10.4
161.13240	4.7
163.11188	44.0
164.11563	3.0
165.12769	4.7
169.10141	3.0
171.10220	2.4
171.11682	6.1
173.09634	5.9
173.11845	4.1
173.13272	6.3
175.11240	8.2
175.14908	2.8
177.12747	7.2
181.12257	13.5
182.18491	2.6
183.11700	2.9
184.07312	8.7
185.13216	5.1
187.11154	4.3
189.11224	25.7
191.10640	8.4
193.12285	3.8
205.12315	9.0
210.23328	2.4
211.13220	2.3
223.13297	39.8
224.13660	4.6
227.12727	22.5
229.19437	2.6
239.17937	2.7
245.19017	5.4
247.20543	2.4
255.17494	5.4
257.18939	11.6
257.26288	2.7
273.18484	42.0
275.20053	64.7
276.20490	5.1
291.19537	64.9
292.19690	4.0
293.21069	32.0
309.20639	6.4
347.22177	12.3
349.23849	24.6
350.24246	4.0
365.23260	31.2
366.23438	5.4
367.24814	38.5
368.25061	4.3
383.24277	16.3
621.40948	5.1
639.42627	15.3
640.42450	4.0
657.43713	21.2
658.43091	3.9
675.44623	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	710.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01877	8.6
55.05275	2.3
55.05519	30.8
56.05872	1.9
57.03450	9.4
57.07058	2.7
59.05022	1.7
60.08175	5.8
65.03961	4.0
67.05510	53.0
68.86171	1.6
69.03435	4.9
69.06722	2.7
69.07077	29.6
69.72514	1.6
71.04995	6.3
71.07368	3.8
71.28617	1.7
76.94941	1.7
79.05500	53.3
79.81805	1.5
80.05830	1.8
81.03429	11.6
81.07066	85.2
82.07391	4.2
82.43716	1.5
83.04978	17.1
83.08636	17.2
83.09073	2.7
85.02925	3.2
85.06559	3.4
86.09714	32.8
91.05490	37.8
93.07055	44.4
94.07391	2.9
95.04971	17.1
95.08619	23.5
97.06525	12.3
97.10177	16.0
98.98475	3.1
99.08080	2.3
105.07043	31.2
107.04958	11.8
107.08610	26.3
109.06511	8.8
109.10165	13.0
111.04454	8.1
111.08100	6.8
114.57145	1.6
117.07029	12.2
118.98035	1.7
119.08592	26.8
121.06516	8.8
121.10151	16.6
123.08066	14.8
123.11713	5.1
125.00011	23.3
125.09658	14.6
128.06227	1.8
129.07027	6.9
131.08565	18.1
133.06522	2.6
133.10139	15.7
135.08096	4.7
135.11710	14.2
136.12097	2.1
137.09647	4.6
141.39458	1.6
143.08606	5.3
145.10150	16.9
147.08067	6.6
147.11699	7.5
149.09601	11.5
149.13303	7.2
153.12756	3.7
155.08560	2.6
157.10133	4.6
159.11694	9.2
161.09648	6.1
161.13329	3.5
163.11183	14.0
165.09070	2.5
165.12796	3.5
165.88297	1.6
169.10066	2.7
171.11739	4.7
173.09737	3.0
173.11798	1.6
173.13290	3.7
175.11180	3.9
177.12794	4.0
179.14276	1.7
181.10260	1.5
181.12184	7.5
184.07364	100.0
185.07704	2.7
185.13280	3.4
189.11276	15.5
191.10689	2.5
193.12236	2.2
195.11707	2.3
195.13730	1.9
221.15381	1.8
223.13264	5.4
227.12801	19.4
228.12924	1.7
245.19032	2.4
247.20573	1.8
249.14830	1.7
255.15965	6.8
257.18781	3.3
263.20123	1.9
269.17465	14.2
273.18509	22.8
275.20099	18.8
276.20493	2.2
283.15384	3.0
291.19586	38.7
292.20020	5.5
293.21069	4.0
309.20663	5.6
347.22104	6.6
349.23953	10.7
365.23273	12.2
366.23444	3.0
367.24768	4.6
383.24390	5.2
439.26871	2.8
541.35498	2.3
545.34668	2.4
559.36255	10.4
563.35809	2.5
577.37000	4.5
595.46893	3.3
639.42419	4.6
657.42999	1.8
710.43054	2.1
711.38599	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	710.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39286	2.2
53.03946	9.0
55.01887	13.9
55.05515	43.2
57.03441	11.1
61.61980	2.4
65.03943	3.2
67.05511	65.9
69.03436	6.5
69.07074	32.6
70.19590	2.6
71.05007	5.4
73.02914	3.0
79.05495	63.0
81.03415	15.9
81.07063	100.0
83.04981	13.4
83.08630	30.2
83.40268	2.4
85.02924	2.5
91.05490	53.2
91.06017	4.7
92.57417	2.6
93.07043	50.7
95.04984	21.8
95.08608	42.3
97.02902	3.0
97.06529	24.9
97.10178	18.1
99.04438	2.9
99.08146	2.9
99.85811	2.3
103.05460	3.2
105.07036	48.8
106.07420	4.4
107.04954	18.7
107.08605	26.9
109.06534	16.8
109.10162	22.4
111.04483	7.2
111.08099	9.5
115.05405	3.3
115.07579	3.6
117.07019	23.0
119.08593	39.6
120.08921	2.9
121.06519	12.9
121.10166	21.3
123.08067	18.9
123.11675	4.4
125.00061	2.8
125.05953	2.8
125.09648	14.5
129.07019	9.0
130.07806	3.1
131.08565	23.0
133.06551	3.9
133.10139	31.1
135.08083	9.1
135.11687	10.9
137.09647	7.1
142.07834	3.7
143.08543	6.7
145.10138	21.4
147.08092	7.9
147.11661	19.3
149.09615	22.0
149.13301	7.0
151.11203	5.3
153.09105	2.7
153.12770	4.0
155.08562	5.7
157.10127	8.4
159.11673	12.5
161.09659	9.1
161.13280	7.9
163.11198	24.5
165.12730	3.6
169.10112	3.5
171.11734	7.3
173.09731	3.1
173.13272	5.4
175.11214	7.6
177.12807	6.7
181.12318	5.4
183.11732	3.8
184.07349	14.8
185.13266	4.3
189.11211	10.7
189.12799	5.6
191.10741	4.6
193.12331	4.4
197.13330	5.0
222.45322	3.0
223.13301	4.9
227.12761	8.2
239.18048	5.7
245.19040	3.1
245.35513	3.0
253.14429	4.0
255.17549	4.1
257.19073	7.7
269.17535	3.2
273.18481	24.2
275.20068	38.2
276.20425	3.1
291.19559	38.2
293.21100	4.9
347.22284	9.7
349.23718	31.4
365.23444	18.0
367.24915	23.7
383.24213	10.9
470.13547	2.7
547.38666	5.3
548.38751	13.1
553.20471	2.9
639.42303	9.0
657.43518	7.2
675.43921	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	710.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60493	5.4
55.01873	13.3
55.05521	35.3
57.03466	7.4
65.03951	6.9
67.05511	54.9
69.07079	26.4
71.30893	7.8
79.05502	52.7
81.03426	9.9
81.07062	100.0
83.05007	10.4
83.08614	14.0
91.05483	42.4
93.07045	34.6
95.04984	21.5
95.08620	30.8
97.06538	12.0
97.10194	11.2
105.07022	33.2
105.58014	5.9
107.04951	15.5
107.08611	27.2
109.06532	18.5
109.10184	14.2
111.08118	11.4
117.07040	11.8
119.08575	28.4
121.10157	21.9
123.08053	19.7
123.11693	7.1
125.09634	17.7
129.06972	6.5
131.08549	14.7
133.10155	17.8
135.11723	11.6
143.08525	7.9
145.10158	22.3
147.11713	15.3
149.09656	10.1
157.10147	6.0
159.11671	10.7
163.11180	15.8
173.13330	6.2
175.11111	9.3
184.07413	18.3
189.11209	15.7
191.10623	10.7
208.86113	5.7
227.12842	14.7
259.28082	4.8
262.25247	10.1
273.18539	20.2
275.20050	37.4
291.19495	51.0
293.21075	12.2
347.22556	10.8
349.23651	19.9
365.23367	21.8
367.24976	28.2
383.24179	19.0
595.46704	16.4
639.42181	12.3
657.43030	13.4
698.03149	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	711.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39252	0.4
53.03954	0.5
55.01871	0.7
55.05509	2.7
57.03436	0.8
57.07078	0.5
63.02649	0.5
65.03935	0.7
67.05519	2.3
68.99792	0.9
69.03430	1.6
69.07084	1.2
71.04996	0.4
71.30431	0.4
71.30869	0.5
79.05499	3.7
81.03431	4.3
81.07048	1.9
83.04987	11.4
83.08617	1.6
85.02914	0.8
91.05489	6.4
93.07059	3.5
95.04977	2.7
95.08607	0.8
97.02903	1.6
97.10181	0.6
99.04546	0.5
105.07034	4.8
107.04979	0.9
107.08603	17.6
108.08894	0.5
109.02889	1.2
109.06523	1.8
109.10140	0.8
111.00810	0.8
111.08103	0.8
113.05981	0.5
115.05495	1.1
117.07030	3.7
119.04954	0.8
119.06113	0.5
119.08606	3.9
121.02860	1.5
121.06509	4.5
121.10139	1.6
123.04454	0.4
123.08038	0.5
127.03959	0.8
127.07565	0.7
129.07021	1.1
131.08577	2.0
133.06467	0.9
133.10161	2.4
135.08063	29.5
136.08391	0.6
137.02309	2.6
137.05988	1.6
137.09628	0.7
143.08597	1.1
144.09398	1.2
144.29614	0.4
145.02831	1.1
145.06532	2.1
145.10132	1.4
147.04453	1.3
147.08067	2.5
147.11725	1.1
149.02351	0.7
149.05983	1.6
149.09633	0.8
151.57532	0.4
153.01840	4.8
153.09113	0.4
155.08575	0.5
157.10176	1.1
158.10970	0.4
159.08064	1.8
159.11700	4.4
160.08807	0.4
161.06015	1.3
161.09657	2.6
161.13223	1.1
163.03897	1.2
163.06242	0.7
163.07558	9.9
163.11287	0.9
165.01834	1.9
167.07050	0.7
172.08882	1.1
173.06018	1.0
173.09566	0.7
173.13295	2.8
175.11086	0.6
177.05521	2.8
177.09117	0.4
177.12819	0.6
183.02930	1.1
185.13295	0.7
186.10509	1.0
187.11208	4.2
189.09100	0.6
189.12814	1.3
191.07005	1.9
191.14360	0.5
193.12271	1.6
201.05513	2.2
201.12781	3.8
203.14330	3.9
205.12230	4.6
209.08023	0.8
211.11284	0.5
211.13326	1.2
219.11685	0.7
219.13817	13.8
220.14183	1.0
229.04935	4.3
229.12273	4.6
247.06075	0.8
247.13326	7.8
250.77713	0.4
255.14655	0.4
257.04434	2.5
265.14188	0.4
267.15982	1.9
268.16263	0.5
274.04730	0.8
285.03973	1.8
285.16907	0.9
303.05002	100.0
304.05344	4.7
317.06290	0.4
409.18570	1.8
459.27313	2.2
460.27573	1.2
477.28354	2.3
478.28781	1.6
479.24985	0.5
711.22595	1.2
711.29425	1.5
711.40619	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	711.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
67.05505	3.1
69.59390	2.1
69.59776	1.3
71.04996	1.0
81.03436	1.0
81.07067	3.4
82.16818	1.1
91.05481	1.6
93.07037	1.3
97.02907	1.4
105.07072	0.8
107.08576	0.9
109.10130	1.2
111.52759	0.7
119.08631	1.0
126.20603	0.9
147.11758	1.0
164.51143	0.7
171.09534	0.9
177.01648	1.2
184.07384	1.3
221.04222	12.1
221.06255	0.8
223.05681	4.3
243.08272	1.0
247.05768	1.5
265.06827	41.1
266.07214	1.2
268.93820	0.9
335.25687	0.8
405.26181	1.3
469.25888	3.5
489.27994	2.2
513.28406	2.5
531.29205	8.0
532.30029	1.1
693.32404	9.3
694.33380	1.2
711.33539	100.0
712.33807	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	711.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01869	0.7
55.05508	0.8
57.03432	2.0
59.05015	0.3
61.02934	4.6
62.58630	0.4
67.05512	2.5
69.03432	2.7
69.07064	0.8
69.60279	1.6
71.01359	0.7
71.05006	1.4
73.02915	3.4
76.65133	0.3
81.03417	9.0
81.07063	3.1
83.04990	0.4
83.08628	2.2
85.02908	4.8
85.06514	0.3
87.04500	0.5
91.03942	2.7
91.05475	3.4
93.07034	1.9
95.04971	2.6
95.08619	1.4
97.02898	4.2
97.06539	0.7
99.04490	0.4
101.02402	1.5
105.07034	2.3
107.08613	1.0
109.02859	0.9
109.06553	0.4
109.10189	0.8
111.08102	1.1
117.07043	0.4
119.08619	1.4
121.10176	1.5
125.09686	0.4
127.03870	1.6
129.07024	1.1
131.08551	1.8
133.10167	1.1
145.04962	0.4
147.11716	1.4
149.09671	1.5
157.10123	1.7
163.11137	0.4
172.00912	0.3
175.11235	1.5
177.45331	0.3
185.04269	0.5
193.12228	2.4
221.04271	0.4
243.08438	1.9
265.06940	1.0
267.15891	1.8
283.15201	3.6
329.30557	0.4
339.17834	0.7
451.19458	6.7
452.19839	0.7
495.27124	0.5
501.23044	6.0
502.23492	0.6
550.35638	0.5
657.29272	0.4
693.32361	1.6
711.35504	100.0
712.35822	15.1
743.18579	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	711.393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61131	0.5
52.15949	0.5
71.29721	0.6
71.30174	0.7
91.05531	0.7
93.03149	0.6
94.03977	0.8
96.07650	0.5
96.36638	0.5
109.97681	0.5
121.06511	1.1
123.04430	0.5
125.05780	1.3
133.20268	0.5
135.04390	0.5
137.06006	2.1
145.02834	0.8
147.04379	0.8
149.09383	0.9
151.03906	1.0
151.07393	0.5
161.06006	0.7
163.11125	0.5
165.09094	0.8
167.10497	1.8
177.05481	2.4
179.10402	1.1
187.07426	0.6
192.01309	0.5
192.26074	0.4
193.12024	1.9
207.10020	1.6
208.10873	0.7
209.11559	1.1
219.13579	1.2
222.16087	0.5
235.16782	1.0
237.11047	1.9
245.11469	5.3
247.13106	1.4
257.18726	0.5
261.14508	0.7
279.15738	1.2
287.16263	0.6
307.19128	0.9
307.22598	3.9
314.29056	0.5
321.23981	1.2
323.22180	1.5
331.22046	0.6
335.21957	0.7
337.23419	1.0
345.20795	0.9
349.23489	4.0
351.21457	6.2
365.23093	1.5
374.20764	0.8
375.21225	0.7
427.51123	0.8
431.28052	0.7
468.32535	0.8
486.33197	20.2
487.33911	3.5
502.32584	9.6
503.33301	3.3
512.31354	2.2
513.31628	3.0
530.32159	20.4
531.32886	7.4
537.27197	0.7
549.33264	2.2
570.92761	0.6
648.18854	0.6
649.39185	11.6
650.39825	1.4
665.38544	5.9
666.39063	1.0
675.37238	0.7
693.38190	56.3
694.38501	9.2
711.39246	100.0
712.27917	0.5
712.39563	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01872	9.1
55.05516	19.5
57.03440	20.1
57.07062	3.8
59.05002	1.4
59.13712	1.6
61.02923	4.3
65.03947	3.4
67.05508	75.4
68.05856	1.9
69.07074	19.5
70.45972	4.5
71.01353	2.4
71.04995	4.4
73.02918	1.7
79.05497	62.6
81.03427	1.8
81.07063	59.3
82.07397	2.4
83.04978	16.0
83.08621	7.0
85.02920	2.8
85.06544	3.4
91.03945	2.2
91.05485	26.7
93.07048	78.3
94.07380	2.4
95.04983	5.9
95.08611	42.2
97.02930	2.4
97.06529	15.3
97.10166	10.6
99.08082	2.4
100.39095	1.6
105.07040	16.3
107.08598	49.0
108.08971	2.0
109.06490	1.7
109.10171	16.8
111.08085	4.3
117.07014	7.8
119.08589	11.8
121.10144	19.9
123.11692	2.7
124.41476	1.5
125.09617	1.8
131.08595	6.8
133.10129	10.9
135.11700	58.2
137.09566	2.6
145.10138	15.1
147.11707	5.0
149.13240	4.9
152.85577	1.7
153.12727	8.2
159.11713	6.4
161.13274	3.0
163.11208	6.9
173.13332	4.4
181.12256	13.6
199.13257	3.1
201.91547	1.6
227.12663	1.8
243.21045	2.9
253.14331	3.8
255.15932	100.0
256.16129	4.7
259.24567	1.7
261.22052	9.9
317.24658	3.2
335.25827	56.0
336.26245	4.9
342.63913	1.9
384.21613	1.6
423.32404	2.5
441.33682	2.4
497.35577	1.8
515.37335	63.7
516.37488	10.3
533.38110	1.8
597.48718	3.0
712.43481	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	712.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01871	11.5
55.05503	27.8
57.03437	7.3
57.07072	14.6
60.08147	5.5
67.05511	56.2
69.03422	6.8
69.07063	23.5
69.75607	5.7
71.05009	5.5
73.02959	6.6
79.05503	50.0
81.03422	14.1
81.07065	77.0
82.07368	4.6
83.04989	14.3
83.08630	22.6
85.06556	9.1
85.10191	27.9
86.09711	19.1
91.05498	39.9
93.07052	39.0
95.04951	25.2
95.08603	33.1
97.06565	9.5
97.10173	14.7
98.98418	5.4
104.28772	4.9
105.07017	34.1
107.04964	14.9
107.08581	25.5
109.06536	12.2
109.10157	21.6
111.04421	8.5
111.08088	11.2
113.09659	21.0
114.07290	5.7
117.07039	11.3
119.08589	23.1
121.10142	17.2
123.08095	25.1
124.99996	13.5
125.09611	12.4
129.06989	11.4
131.08589	14.2
133.10141	14.5
135.08089	5.9
135.11627	5.1
141.70126	4.9
145.10126	18.4
147.08038	10.5
147.11702	11.1
149.09625	11.1
159.11725	7.2
161.09622	9.8
163.11205	15.0
165.12823	32.0
171.11676	6.6
175.11134	7.2
181.12265	8.0
184.07324	54.8
189.11240	22.0
193.12256	11.7
227.12773	12.4
273.18469	30.3
274.18640	5.9
275.19980	6.1
277.21704	36.6
278.22092	5.7
283.15155	6.4
291.19543	52.1
293.21085	10.2
295.22665	100.0
296.23105	7.4
309.20541	10.1
347.22128	13.9
351.25327	24.4
365.23270	23.8
369.26425	21.9
383.24216	8.7
434.95026	5.7
641.43933	21.5
659.44537	19.4
722.53296	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	712.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
53.32358	1.4
55.01876	8.6
55.05515	24.1
56.05051	2.2
57.03441	5.5
57.07063	2.0
59.77883	1.9
60.08168	6.0
65.03932	2.1
67.05509	33.3
69.03442	4.8
69.07075	15.6
71.04983	1.6
71.07382	2.5
71.08631	5.5
71.28045	1.7
79.05499	29.4
81.03429	7.0
81.07062	55.2
83.04975	6.2
83.08626	16.8
85.06534	1.8
86.09708	29.4
91.05487	23.6
93.07050	24.1
95.04977	16.1
95.08612	19.5
97.06538	7.3
97.10167	6.8
98.98478	5.9
99.08108	4.8
104.10753	2.3
105.07030	19.4
107.04968	10.9
107.08598	16.5
109.06543	11.2
109.10159	9.0
111.04456	4.4
111.08101	9.1
115.05473	1.6
117.07034	7.5
119.08588	19.1
121.06522	4.6
121.10165	12.4
123.08099	7.5
123.11739	4.2
124.99999	19.5
125.09631	8.2
129.07022	3.1
131.08580	11.7
133.06523	2.2
133.10121	11.0
135.08072	5.8
135.11696	5.8
137.09592	2.8
142.07852	1.7
143.08540	4.7
145.10094	8.7
147.08072	4.6
147.11694	7.9
149.09625	4.6
149.13269	6.8
151.11150	3.1
153.09140	2.9
153.12733	2.8
157.10155	4.6
158.81509	1.7
159.11740	5.9
161.09613	4.2
161.13264	2.0
163.11169	11.9
165.12727	4.8
171.11678	2.0
173.09657	2.0
173.13365	3.3
181.10420	1.5
181.12250	4.7
184.07358	100.0
189.11250	7.6
193.12213	2.0
207.13849	1.8
227.12798	5.3
227.17976	2.4
245.19170	2.3
247.20569	2.3
247.24950	2.0
257.19141	1.7
273.18430	9.1
275.20053	24.2
277.21616	11.8
291.19577	13.6
293.21127	20.8
295.22849	3.1
347.21896	3.2
349.23688	12.3
351.18207	1.6
351.25262	6.8
365.23196	6.7
367.24731	17.2
368.25491	2.0
369.26263	9.8
385.25833	4.4
597.48785	2.2
623.42902	3.3
641.43823	6.0
659.45117	10.6
677.45941	5.7
712.45325	3.7
713.42639	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	712.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.3
53.08687	5.1
55.01864	13.2
55.05507	43.8
57.03448	9.1
57.07079	17.6
60.08164	6.3
62.98740	4.6
67.05503	51.2
69.07066	22.1
69.32999	5.6
70.15369	4.5
71.08632	5.6
71.29639	6.0
79.05492	50.0
81.03435	21.8
81.07055	100.0
83.04984	14.4
83.08614	24.0
85.10159	25.1
86.09711	19.9
90.82333	5.1
91.05491	39.7
93.07056	42.5
95.04961	22.6
95.08611	38.8
97.06551	9.7
97.10172	31.1
99.08089	6.9
105.07026	37.0
107.04966	20.7
107.08593	26.7
109.06528	8.9
109.10169	23.7
111.04418	9.1
111.08075	10.2
113.09632	27.1
117.07034	14.0
119.08614	24.1
121.06544	13.7
121.10166	22.6
123.08072	21.8
125.00041	16.1
125.09637	18.1
129.07014	9.4
131.08565	14.4
133.06447	7.1
133.10149	11.1
135.08061	6.2
135.11713	9.8
143.08549	7.4
145.10135	16.3
147.08067	5.9
147.11737	15.7
149.09631	14.5
149.13264	9.7
151.11195	7.4
153.09065	5.0
153.68021	6.0
157.10162	8.8
159.11745	4.9
161.09662	6.7
163.11209	19.4
165.12764	29.9
179.14359	5.7
184.07346	71.2
185.07689	7.0
186.07721	7.0
189.11220	12.5
191.10684	7.6
197.59451	5.8
223.13269	6.0
227.12813	17.6
245.19135	6.4
273.18491	30.5
277.21661	45.7
291.19458	55.2
295.22687	94.4
347.22226	11.3
351.25226	22.5
365.23267	25.5
367.24396	7.0
369.26324	21.6
383.24222	16.5
505.39127	17.6
641.43896	23.8
659.45172	23.3
677.45709	7.6
681.25317	7.0
713.40912	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	713.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90875	0.4
55.05515	0.6
57.03452	0.7
67.05506	1.6
68.35328	0.4
69.81593	1.3
73.02910	0.6
74.56304	0.3
79.05482	1.2
81.03427	1.5
81.07053	1.0
83.04975	0.3
83.08633	0.5
85.02896	0.5
91.05502	1.0
93.07053	1.1
95.08566	0.5
97.02943	0.7
98.23315	0.4
105.07011	0.5
107.08620	0.4
107.52807	0.5
109.06493	0.5
109.10170	1.0
114.28642	0.4
119.08577	0.5
121.10142	0.4
147.11798	0.4
155.50584	0.4
193.12410	0.5
196.03406	0.4
249.11104	0.4
261.84161	0.4
267.09116	2.3
285.10165	2.1
290.65512	0.5
308.95551	0.4
447.27505	0.9
448.27921	1.8
467.18942	1.2
469.20316	0.9
485.17178	2.8
667.99646	0.5
695.32538	1.5
713.31598	100.0
714.31927	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	713.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42165	1.4
58.45792	1.4
67.05501	3.0
69.31078	8.6
86.09705	2.0
91.05517	1.9
98.23328	2.7
99.10804	1.4
125.00005	2.1
162.39119	1.4
169.45970	1.6
184.07378	9.8
193.51822	1.4
204.83318	1.4
281.11401	1.6
321.78815	1.4
331.07983	2.2
387.14001	1.7
389.08548	2.3
401.15833	4.1
405.23788	1.6
441.18802	3.1
451.24228	2.2
492.02286	1.4
500.20157	2.2
501.17136	5.8
557.23773	7.2
569.26874	2.7
583.28162	2.3
612.28973	17.6
613.28876	1.7
634.18872	1.5
641.29309	100.0
642.29596	11.9
644.27930	10.0
645.30432	1.9
713.31152	33.5
714.31134	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	713.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01879	0.8
55.05515	1.5
57.03438	1.7
57.07062	0.5
61.02929	4.3
67.05515	3.0
68.69259	0.4
69.03432	2.1
69.07064	1.0
69.34000	2.4
71.04981	0.9
73.02923	3.2
79.05493	3.3
80.43320	0.4
81.03427	3.1
81.07060	2.6
83.01095	1.0
83.04997	0.8
83.08616	1.3
85.02910	5.1
86.09701	0.6
91.03985	3.1
91.05474	2.3
93.07050	2.0
95.04986	1.4
95.08632	1.3
97.02899	4.2
97.06532	0.6
98.22661	0.5
99.04453	1.3
101.02426	0.9
102.26746	0.4
105.07041	1.7
107.04980	0.6
107.08611	1.8
109.02893	0.6
109.10162	0.9
111.08073	0.7
112.30792	0.4
119.08595	2.0
121.10142	1.1
123.04224	0.5
123.08150	0.6
125.09669	0.6
127.03957	1.8
128.30682	0.4
129.05499	1.4
129.07083	0.7
131.08562	0.7
133.10164	1.4
135.11687	1.1
145.04916	0.8
147.08089	0.6
147.11745	1.0
149.09648	0.7
157.08609	0.6
157.10092	0.5
163.11215	0.9
163.28261	0.5
165.12802	0.4
175.11200	0.8
181.04739	0.9
184.03484	0.6
184.07372	1.4
185.04234	4.8
193.12297	1.9
199.05832	1.3
201.03754	1.8
203.05334	0.6
211.13358	0.8
227.12827	0.8
241.06897	0.6
243.08432	4.3
249.10970	0.7
251.12537	3.7
265.14172	0.6
267.15921	1.0
268.16461	0.6
277.14188	1.1
285.17075	0.5
291.15768	1.5
295.15518	0.4
301.08963	13.5
307.15204	0.5
313.09070	0.6
315.10553	3.7
327.10632	0.8
341.12167	0.7
343.13812	0.6
349.16153	2.5
355.13736	1.0
357.15219	0.8
365.16376	0.4
367.17380	0.8
369.15454	0.8
371.16666	1.4
373.11093	5.1
383.16876	2.7
385.18332	8.2
386.18808	0.5
387.12796	1.1
395.16739	2.4
401.14194	1.0
415.15872	0.8
422.26410	0.4
429.17514	1.2
433.25562	2.2
439.19574	1.4
441.20883	1.1
443.18842	4.0
444.19781	0.7
451.27042	0.7
457.20334	1.0
461.28226	0.5
467.18930	1.4
469.20511	13.7
470.20911	1.1
479.26096	0.9
483.22226	0.9
484.19080	0.6
485.19757	3.9
489.28159	0.6
499.21313	3.2
511.21509	1.3
527.28223	1.1
528.21759	4.7
528.29126	0.7
541.22559	7.1
555.24475	1.6
556.23853	0.5
569.25421	2.4
583.28625	1.5
595.31421	0.6
597.27905	0.7
611.30475	5.1
612.31067	4.4
613.31000	0.6
625.31860	1.1
639.32715	0.5
641.31390	1.3
651.33118	0.8
653.31702	1.2
655.32867	0.6
667.32935	2.5
668.34521	0.7
695.32086	4.1
696.33087	1.1
713.33301	100.0
714.33569	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
62.13208	0.4
67.05487	0.6
68.49500	0.4
70.23640	0.4
74.66514	0.4
78.64044	0.5
79.05511	0.9
81.07046	1.4
91.05487	1.0
93.07050	0.7
98.22457	0.9
105.07045	1.3
107.08665	0.5
119.08587	0.6
121.10194	0.5
124.89772	0.5
133.10114	0.6
188.69395	0.4
641.29517	1.3
713.35083	100.0
714.35437	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75998	1.7
65.64053	1.6
67.05504	3.4
68.31051	1.7
69.15424	2.3
69.15819	10.0
81.07060	4.1
85.69466	1.6
93.07092	1.9
95.89342	1.6
104.70222	1.6
137.86137	1.6
147.00130	1.5
164.17824	1.7
184.07445	2.7
191.84383	1.6
400.14108	1.7
612.30005	2.9
641.29370	14.3
713.35046	100.0
714.35199	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	713.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.32821	0.4
57.03434	1.4
59.09351	0.4
61.02923	4.2
66.92429	0.4
67.05507	3.8
69.03424	2.1
69.07066	1.1
69.75755	1.9
71.04997	1.6
73.02926	2.9
79.05495	2.4
81.03416	3.1
81.07062	5.1
83.04993	0.8
83.08629	1.3
85.02912	4.0
87.04482	0.9
91.03957	2.1
91.05479	2.2
93.07053	3.6
95.04989	0.9
95.08620	1.7
96.00152	0.4
97.02886	3.5
97.06541	1.1
99.04486	0.6
101.02414	1.7
105.07055	1.4
107.08610	1.6
107.11389	0.4
109.02895	0.8
109.06547	0.6
111.08076	0.6
119.08636	0.9
121.10196	2.0
123.11778	0.4
127.03932	0.7
131.08626	1.1
132.08827	0.4
133.10164	1.2
135.11708	0.7
147.11726	0.8
149.09682	1.4
149.13261	1.9
159.11760	0.7
175.11133	0.6
188.96420	0.5
193.12267	0.7
225.14932	0.5
235.13126	1.2
243.08406	2.0
267.16037	0.7
269.17599	0.6
282.80469	0.5
283.15131	2.9
291.15472	0.6
386.95865	0.4
453.20950	8.0
453.26926	0.6
454.21402	0.5
486.22995	0.5
501.23117	8.1
502.23541	1.0
713.37201	100.0
714.37659	15.7
714.48596	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	713.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12949	0.3
55.01869	0.3
55.05516	0.9
57.03446	1.6
59.05015	0.4
61.02929	5.0
61.03223	0.4
67.05510	3.4
69.03436	2.7
69.07067	0.9
69.14989	2.2
69.76147	0.3
71.04993	3.4
71.26966	0.3
73.02920	3.4
79.05502	2.5
81.03425	2.7
81.07066	5.1
83.05005	0.6
83.08630	1.1
85.02911	4.8
85.06556	0.7
87.04504	0.4
91.03959	3.4
91.05489	3.6
91.05943	0.4
93.07049	2.8
95.04987	0.9
95.08634	1.2
96.37003	0.3
97.02895	4.3
97.06555	1.0
97.98233	0.3
99.04485	0.8
101.02399	1.8
103.03993	0.5
105.07017	1.7
107.08601	1.8
109.02910	0.7
109.06570	0.5
109.10187	0.6
111.08095	0.7
115.03932	0.4
117.07018	0.6
119.08611	0.7
121.10162	1.4
123.11747	0.9
127.03957	1.5
129.07056	0.5
131.08589	1.0
133.10133	1.9
135.11693	0.8
135.40927	0.3
147.11757	1.0
149.09662	0.8
149.13295	1.0
151.11229	1.0
157.10181	0.5
159.11748	0.9
175.11185	0.8
177.12840	0.3
187.13383	0.5
193.12329	1.2
211.13344	0.6
211.71495	0.3
228.12221	0.3
234.97040	0.3
243.08426	3.0
251.12674	1.4
257.17581	0.5
267.15869	1.3
281.96365	0.3
283.15186	0.4
323.18384	0.6
347.54446	0.4
426.34897	0.3
441.21140	0.4
453.21063	2.6
469.20428	4.8
470.20526	0.5
485.23602	6.8
485.30026	0.5
486.24066	0.5
501.22949	2.1
551.31696	0.6
609.29407	0.4
641.31042	0.5
681.35254	0.6
713.37256	100.0
714.37543	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	714.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01876	0.9
57.03430	1.0
57.83580	0.5
58.78201	0.6
61.02925	1.3
67.05510	0.6
69.03426	4.2
73.02937	1.0
79.05504	1.8
81.03425	2.3
85.02902	4.9
88.16477	0.5
90.55346	0.5
91.05491	0.7
93.05791	0.9
93.07050	2.1
94.06560	4.0
95.07339	1.0
96.08119	4.3
97.02869	2.7
97.06508	0.8
99.04491	0.6
106.06546	0.5
107.07354	1.7
108.08120	8.0
109.02886	1.0
110.09680	6.8
118.06551	0.6
120.04477	3.6
120.08118	8.0
121.06488	1.1
122.06037	8.3
122.09679	4.6
124.07642	1.6
127.03939	1.1
136.07584	11.6
138.05551	1.0
138.09134	11.3
146.06038	1.7
148.07573	6.8
150.09145	7.7
151.09543	0.6
152.07141	1.5
162.05565	0.6
164.07132	2.5
166.08647	22.6
167.09081	0.8
172.03996	1.2
176.10861	1.1
177.05484	0.7
180.10220	0.8
182.08174	0.6
182.11806	0.8
190.05026	1.7
192.06648	0.6
194.08199	2.1
196.09970	1.0
197.10773	0.8
207.09291	0.7
209.10724	1.3
210.11569	0.9
211.12291	1.5
212.09541	1.7
213.10197	0.9
221.10728	1.1
222.07944	0.7
223.08733	2.1
223.12317	1.6
223.34723	0.6
224.09312	1.3
225.10222	4.3
226.11041	1.0
227.11758	2.8
233.10774	1.8
234.11574	1.1
235.08632	2.7
235.12201	1.0
236.09506	2.1
237.10248	14.0
237.12602	0.8
238.11009	2.6
239.08206	2.2
239.11775	6.0
240.12593	0.6
241.09828	1.6
241.13525	0.9
245.12965	0.8
248.09348	2.8
249.10214	10.9
250.10954	4.7
251.08139	4.0
251.11810	10.5
252.08902	1.0
252.12633	1.9
253.09811	7.1
253.13326	1.3
254.10388	1.7
255.11314	5.3
261.10257	7.1
262.10925	3.1
263.08221	1.6
263.11871	9.0
264.09058	0.7
265.09738	16.4
265.13138	1.2
266.10321	3.8
267.11304	9.8
268.11859	1.8
269.09421	0.6
269.12961	1.4
271.10806	2.2
273.12424	0.8
275.08157	0.8
277.09775	5.3
278.06775	1.8
278.10553	6.9
279.07806	3.1
279.11270	22.4
280.08658	1.0
280.11819	4.9
281.09326	2.9
281.12790	3.3
282.10001	1.6
282.13589	1.1
283.10794	9.2
284.11383	0.8
285.12442	1.7
287.13980	1.3
289.09705	15.2
289.12698	1.0
290.10355	2.2
291.11304	7.5
292.08771	1.1
292.12073	1.9
293.09302	7.7
293.12900	7.0
294.10065	5.1
294.13379	1.1
295.10828	6.8
295.14148	1.1
296.11478	4.1
297.09158	0.9
297.12405	4.0
298.12830	1.3
299.10379	2.2
305.09348	0.8
305.13049	0.9
306.09998	1.6
307.10767	6.7
308.11365	2.4
309.08975	1.1
309.12207	6.6
309.15436	0.6
310.12961	1.3
311.10355	7.1
311.13998	3.6
312.10956	4.1
313.11804	3.5
314.12619	1.9
315.13470	0.8
317.09433	2.6
318.09564	1.0
319.10858	0.9
321.08768	1.1
322.09418	0.6
323.10373	2.8
323.14032	3.4
324.10938	3.3
325.11823	6.4
326.12558	4.8
327.13394	9.7
328.14014	1.1
329.15115	0.9
330.16034	1.1
335.10257	25.2
336.10669	2.9
337.11810	4.2
339.13409	69.7
340.10254	4.8
340.14050	6.1
341.11398	7.2
341.15195	2.0
342.12100	0.8
342.16208	1.0
343.13101	0.7
349.11993	0.9
352.10574	2.3
353.11316	18.7
353.15405	1.2
354.12045	8.0
355.12888	21.0
356.13257	2.6
358.15723	0.9
367.12900	49.2
368.13275	5.3
370.15463	0.9
371.12344	1.2
383.12427	0.6
384.17136	0.8
396.17261	0.6
399.15991	0.9
414.18372	0.8
416.20047	1.1
418.17642	1.4
424.16586	0.7
428.16376	1.0
430.17438	0.7
432.19208	1.9
433.19791	0.7
442.17603	1.4
444.19287	1.3
446.17371	0.6
460.18802	5.1
461.18921	1.0
470.17270	1.5
472.18793	1.5
474.20444	1.7
478.19855	3.2
479.20410	1.5
488.18167	35.7
489.18558	4.8
490.19342	0.7
492.21564	2.8
502.19702	2.2
506.11673	1.0
506.19220	21.9
507.19489	3.4
520.20825	25.5
521.20831	4.1
534.18768	1.6
548.20801	1.3
622.24048	2.0
632.22998	1.7
650.23468	13.9
651.23737	2.2
654.26874	1.5
664.25281	1.2
682.26031	100.0
683.26392	16.4
714.29102	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	714.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05505	0.6
57.03434	1.2
61.02925	1.9
65.03936	1.0
67.05500	2.3
69.03432	6.2
69.07061	0.6
71.28670	0.4
73.02916	1.4
79.05486	2.0
80.05013	0.6
81.03419	4.0
81.07066	1.3
83.04972	0.7
85.02911	6.7
87.04472	0.9
91.03958	0.6
91.05473	2.7
93.07053	2.9
94.06570	5.2
95.04964	1.2
95.07333	1.8
95.08570	0.8
96.08132	4.6
97.02883	2.9
97.06548	1.1
99.04453	0.7
103.05499	0.7
105.07031	1.6
106.06555	0.7
107.07355	1.5
107.08543	0.7
108.04478	0.8
108.08109	7.5
109.02887	1.4
109.06532	0.5
110.06096	0.7
110.09682	5.9
111.04458	0.7
118.06561	0.6
119.08585	1.1
120.04485	3.2
120.08107	7.2
121.06548	0.7
122.06039	9.2
122.06873	0.7
122.09674	4.2
124.07612	1.5
127.03944	2.0
130.92726	0.5
132.08041	0.7
133.10107	0.8
136.07570	11.8
137.08266	0.8
138.05569	0.9
138.09140	11.1
146.06044	1.4
148.07544	7.0
149.09572	0.7
150.05533	1.1
150.09146	9.0
150.10307	0.7
152.07022	3.0
162.09030	0.7
164.07074	1.8
166.08635	23.9
168.10245	0.7
172.03989	0.8
176.10747	0.9
180.10249	1.3
190.05006	1.6
193.12312	0.6
194.08162	2.4
196.09839	0.8
197.10782	1.7
199.12183	0.7
206.08148	0.6
207.09160	0.8
208.09871	0.6
209.10852	2.0
210.11475	0.9
211.08665	1.0
211.12206	0.9
212.09435	1.1
213.10254	1.4
218.67061	0.5
219.09135	0.5
221.10707	1.4
222.11401	0.7
223.08701	2.0
223.12299	1.1
224.09488	1.8
225.10248	6.2
226.10927	0.7
227.11772	2.5
233.10805	1.7
234.11424	0.7
235.08615	2.9
235.12216	0.8
236.09378	2.4
237.10225	14.1
238.10916	3.1
239.08240	1.4
239.11795	6.6
240.12469	1.0
241.09752	1.4
241.13426	0.7
245.12970	0.8
247.08748	0.5
248.07106	0.6
248.09276	2.8
249.10205	11.2
250.11006	4.0
251.08229	3.6
251.11792	12.9
252.08913	1.5
252.12567	2.7
253.09801	8.8
253.13348	1.6
254.10371	1.2
255.11272	4.2
261.10236	7.3
262.10956	2.1
263.08691	0.8
263.11761	7.9
264.08994	1.2
264.12375	1.6
265.09717	18.1
265.13071	1.1
266.10355	3.3
267.11276	10.5
267.15860	1.3
268.12033	1.2
269.09247	1.6
269.12903	0.9
271.10919	2.4
273.12216	1.2
275.08209	0.9
276.08945	1.4
277.09695	5.3
278.07425	0.9
278.10501	6.6
279.07800	3.7
279.11230	21.7
280.11737	4.5
281.09293	4.8
281.12857	3.2
282.10071	1.5
282.13434	0.6
283.10791	10.0
284.11588	1.0
285.12320	1.1
287.14059	1.4
289.06451	0.8
289.09705	16.7
290.10297	2.2
291.11227	5.6
292.08389	0.6
292.11716	0.9
293.09286	7.0
293.12869	6.4
294.09991	5.5
294.13489	1.5
295.10855	7.5
295.14124	1.0
296.11514	4.8
297.12219	3.5
298.09656	0.9
298.12863	0.7
299.10330	2.4
304.08444	0.6
305.09296	0.9
306.10049	1.6
307.10721	5.0
308.11426	2.2
309.08911	1.1
309.12305	6.6
310.09460	0.8
310.13101	1.7
311.10318	6.7
311.13992	3.4
312.10980	4.2
313.11823	3.5
314.12595	2.0
317.09290	1.9
319.10803	0.9
321.08859	0.9
321.12445	1.7
323.10242	2.7
323.14001	3.5
324.11154	3.1
324.14432	0.6
325.11719	5.9
326.12482	4.8
327.13354	7.0
328.14185	1.5
330.16006	0.8
335.10229	22.8
336.10745	2.1
337.11844	4.4
339.09796	2.4
339.13385	58.8
340.10294	5.7
340.13898	4.3
341.11371	6.2
341.15018	1.6
342.15930	1.2
349.11789	1.1
352.10568	1.5
353.11307	12.7
354.12082	6.6
355.08463	1.1
355.12872	23.2
356.13342	2.1
357.14508	0.9
358.15320	0.6
367.12881	51.9
368.13318	3.8
370.15637	1.1
372.17102	1.1
386.14636	0.8
400.16324	0.8
402.18198	0.7
414.18024	1.0
418.17712	1.1
432.19324	0.9
442.17615	1.5
444.19095	1.0
460.18723	5.6
463.27161	1.8
464.22144	0.7
469.20935	0.7
470.17236	1.5
474.20361	1.8
478.19534	2.9
479.20615	1.6
481.28210	0.8
488.18130	32.1
489.12302	0.9
489.18604	4.4
490.19458	1.4
492.21527	2.1
502.19870	1.4
506.11667	1.0
506.19196	20.2
507.19629	1.9
520.20782	34.0
521.21069	5.2
534.18610	3.0
548.20404	0.6
552.23358	0.7
622.24066	1.9
632.22467	1.3
650.23474	16.6
651.23767	2.1
654.26587	1.4
664.24567	2.9
682.26019	100.0
683.26367	15.8
714.34106	5.3
715.35242	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	714.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21390	0.1
55.05510	0.4
56.05039	1.0
57.71300	0.1
58.06626	0.6
59.07378	0.3
60.08167	6.6
61.08505	0.2
61.29308	0.1
67.05503	0.9
69.07067	0.3
71.07376	3.5
79.05491	0.4
81.03394	0.1
81.07043	0.9
83.08586	0.2
86.09708	29.8
87.10048	0.4
91.05497	0.3
93.07053	0.4
95.04984	0.2
95.08585	0.3
98.97851	0.2
98.98471	3.6
104.10744	2.2
105.07038	0.2
107.08590	0.3
109.10150	0.3
119.08615	0.2
119.18114	0.1
121.10236	0.2
125.00007	20.9
126.00379	0.1
133.10086	0.1
143.01054	0.3
166.02582	0.2
174.03749	0.1
184.07346	100.0
185.07707	1.9
236.14948	0.4
386.39026	0.1
455.37619	0.1
520.33405	0.1
543.36389	0.2
613.36554	0.1
714.47028	3.9
715.48621	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	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01860	0.5
55.05515	3.8
55.77645	0.5
56.05037	1.0
57.03429	1.5
57.07078	0.6
60.08165	7.2
67.05508	9.3
69.06445	3.9
69.07066	3.5
69.26483	0.6
70.13767	0.6
71.04983	0.5
71.07383	3.9
79.05503	6.6
81.03435	0.8
81.07064	12.9
83.04986	0.8
83.08617	2.7
85.06562	0.7
86.09711	31.2
91.05484	5.5
93.07055	8.0
95.04939	1.3
95.08614	8.1
97.06564	0.7
97.10194	0.9
98.22568	1.0
98.98476	4.0
99.08105	0.5
104.10734	2.1
105.07032	7.2
105.37590	0.5
106.83899	0.6
107.08624	3.9
109.06491	0.7
109.10160	4.0
111.08079	1.3
117.07005	1.7
119.08593	4.5
121.10158	3.8
123.11707	1.2
125.00008	21.7
129.07027	1.4
131.08560	1.9
133.10155	2.5
135.11673	1.9
139.17361	0.6
143.08591	0.7
145.10065	2.7
147.11703	2.3
149.13200	0.7
149.34601	0.6
157.10129	0.9
159.11731	1.0
161.13252	1.4
163.11223	0.7
163.14841	0.8
165.12712	1.0
169.10095	0.7
173.13310	1.4
175.14830	1.0
178.33450	0.6
184.07355	100.0
185.07697	2.4
185.13260	0.8
187.14857	0.6
199.14850	0.7
201.16360	0.6
205.15808	0.5
229.14360	1.4
239.16438	2.4
241.17915	0.8
259.20514	0.8
261.22095	0.7
335.25760	5.2
336.26297	0.6
407.33185	1.5
425.33990	1.9
443.35147	1.0
489.35690	1.3
499.37924	2.9
500.38266	0.8
503.00446	0.6
517.38818	7.7
518.39099	0.7
573.48846	1.3
599.49805	2.2
652.19989	0.7
714.45898	2.1
715.41327	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	714.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.0
55.05516	12.1
56.05038	1.0
57.03430	1.3
57.07078	4.1
62.58449	0.9
63.83597	0.8
65.03932	1.6
67.05507	48.1
68.05843	1.0
69.07068	13.6
69.56758	2.6
69.57169	2.5
69.72289	0.8
71.04971	1.1
71.08627	2.1
79.05064	1.6
79.05493	18.2
81.07059	43.8
82.06558	1.6
82.07356	1.4
83.04967	1.1
83.08608	8.4
91.05477	10.2
93.07047	16.7
94.06561	4.9
95.04967	1.1
95.07352	1.2
95.08611	34.5
96.08117	1.5
97.06538	2.1
97.10176	4.3
98.98463	6.6
105.07027	6.9
107.08598	11.6
109.10162	13.4
111.08096	1.5
117.06991	1.5
119.08617	6.0
120.96620	1.6
121.10151	8.3
122.09680	1.3
123.11727	5.3
123.67719	0.8
131.08554	1.3
133.10152	4.4
135.11667	5.5
137.13268	1.4
147.11670	1.9
149.13258	2.5
151.14792	1.7
155.01077	5.6
159.11728	0.9
161.13286	2.1
163.14761	1.6
175.14877	2.7
191.17900	0.9
245.22708	4.0
250.25301	2.9
261.22052	1.6
262.25302	33.4
263.23514	5.4
272.25842	1.7
280.26428	2.7
317.24802	1.2
319.26102	1.3
337.27493	4.5
339.28848	1.3
504.47885	1.9
516.47687	10.2
518.49426	1.4
534.48486	4.3
595.46783	1.9
599.50323	100.0
600.50714	16.2
616.50067	3.6
617.45074	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	714.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
53.28904	5.0
55.01867	28.8
55.05512	65.7
57.03426	8.4
57.07074	15.7
63.22051	4.6
67.05505	100.0
69.03430	10.7
69.07066	36.5
71.08640	23.9
71.27976	5.1
75.79514	4.1
78.75864	4.4
79.05494	63.2
81.03418	20.6
81.07060	90.8
82.33604	4.3
83.04995	24.9
83.08632	36.3
85.02934	4.0
85.06570	9.4
85.10183	8.1
86.09719	16.4
91.05487	55.8
93.07049	64.3
95.04975	41.6
95.08604	50.0
97.06532	16.2
97.10167	28.3
99.08099	24.1
105.07038	38.6
107.04963	20.4
107.08580	44.9
109.06524	10.7
109.10173	24.8
111.04430	10.9
111.05139	4.9
111.08086	32.4
113.09657	9.0
117.07043	14.3
119.08577	28.9
121.06522	9.7
121.10161	32.1
123.08035	6.7
123.11701	7.7
125.00011	10.4
125.09659	20.0
129.07014	7.6
131.08569	17.4
133.10144	25.2
135.08081	7.8
135.11710	14.0
139.11176	6.5
144.15114	4.5
145.10165	18.8
147.11710	17.5
149.09676	13.1
149.13264	9.6
151.11182	10.5
153.09161	8.5
153.12778	6.6
157.10229	8.0
159.11618	7.0
163.11186	33.8
165.12672	21.7
171.11694	7.8
175.11157	9.4
175.14857	6.1
177.12724	5.6
181.12332	5.9
184.07341	47.1
189.11214	17.9
227.12813	25.5
247.20744	5.6
249.22009	7.9
275.20081	32.9
277.21600	62.4
278.89120	4.6
283.15298	6.8
293.21109	66.6
295.22668	25.2
309.24326	10.6
311.22116	6.6
349.23764	24.0
351.25186	28.9
367.24887	58.8
369.26340	55.3
385.25778	25.3
410.65643	5.0
513.69012	4.7
568.07220	5.2
599.50549	23.6
625.44220	8.8
643.45404	27.9
644.45752	5.8
661.46881	26.7
679.47272	11.4
714.42200	11.0
715.43121	13.8
730.42554	4.6
735.58276	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	714.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90870	3.7
53.03957	4.4
55.01878	14.0
55.05516	44.4
57.03436	17.6
57.07080	24.5
60.08165	6.3
67.05511	51.8
69.06750	5.2
69.07065	25.7
69.08028	37.8
70.83463	4.0
71.04988	4.3
71.08639	17.0
79.05508	43.8
81.03423	17.8
81.07059	58.7
83.04987	14.7
83.08622	32.6
85.06562	6.5
85.10191	47.1
86.09724	22.9
87.10043	6.5
91.05480	45.3
93.07047	43.1
95.04989	37.0
95.08617	39.1
97.06557	11.9
97.10172	29.3
98.23393	10.2
99.08092	14.5
105.07049	37.2
107.04958	29.6
107.08604	31.0
109.06535	6.5
109.10165	13.3
111.04469	9.4
111.08095	12.9
113.09650	47.3
115.81987	4.5
117.07054	10.3
119.08606	19.0
121.06511	10.4
121.10149	16.8
123.08085	10.0
125.00014	15.5
125.09613	24.2
129.06993	7.6
131.08583	14.6
133.10133	14.5
135.11702	12.5
143.08591	4.8
145.10147	13.0
147.11725	16.4
149.09671	20.1
149.13272	6.5
151.11205	11.0
153.09128	10.7
159.11716	6.7
161.13319	6.0
163.11186	28.7
165.12762	65.3
173.13213	6.1
177.12773	13.8
179.14333	7.2
181.12270	6.3
184.07355	100.0
184.08923	7.2
185.07689	16.3
186.07761	10.8
187.13319	5.2
189.11266	19.0
193.12329	4.4
195.13834	5.0
223.13341	6.6
227.12793	16.8
241.19588	4.8
247.20682	6.0
247.86525	4.5
257.19110	5.0
275.20059	39.1
277.21667	50.2
293.21109	79.3
294.21567	4.7
295.22791	23.1
311.22269	5.0
314.20560	5.2
321.97089	4.8
349.23846	18.8
351.25342	67.0
356.13144	4.4
367.24774	51.2
369.26401	37.2
385.25906	19.3
468.43076	4.5
513.52710	4.5
521.35187	8.3
538.89355	4.4
599.50031	8.7
625.44189	14.5
643.45575	43.9
644.46130	6.4
661.46027	13.0
679.47980	8.6
715.41943	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41561	2.0
53.03957	2.3
55.01871	7.5
55.05525	25.1
57.03450	5.8
57.07084	9.0
60.08163	6.9
65.03953	2.3
66.39344	2.1
67.05505	31.9
68.05845	2.5
69.03427	2.5
69.07079	13.5
69.15183	2.0
71.04976	3.1
71.08643	7.0
79.05505	22.8
81.03430	7.2
81.07061	35.3
83.04996	7.8
83.08643	16.0
85.10191	15.1
86.09707	30.1
91.05490	19.9
93.07056	18.2
95.04973	21.6
95.08611	21.7
97.06535	5.2
97.10194	10.1
98.98473	2.8
99.08107	7.5
104.10716	4.5
105.07042	13.3
107.04966	10.2
107.08602	13.7
109.06513	5.9
109.10159	10.4
109.11477	2.1
111.04466	4.4
111.08103	4.7
113.09653	11.9
117.07010	3.8
119.08587	13.6
121.06523	3.9
121.10162	9.8
123.08073	4.9
123.11781	4.4
125.00013	17.4
125.09648	5.5
129.07048	2.7
131.08565	9.5
133.10194	7.7
135.08083	2.6
135.11736	3.9
137.09631	3.1
139.11223	2.8
145.10132	6.5
147.08168	2.4
147.11696	6.6
149.09608	6.0
149.13307	2.7
151.11226	3.3
153.09149	3.5
153.12776	3.2
159.11690	4.0
161.09601	2.9
161.13356	3.0
163.11195	13.5
165.12749	19.0
169.12209	2.8
171.10194	2.0
173.13217	2.6
175.11234	4.3
177.12880	2.9
184.07356	100.0
189.11285	7.1
195.13834	2.2
223.13237	2.8
227.12781	9.2
259.20526	3.8
261.98166	2.8
269.17401	2.8
275.20044	16.4
277.21646	25.1
293.21109	32.7
294.21539	4.2
295.22723	51.5
296.23074	4.3
349.23792	8.4
351.25339	13.4
367.24896	22.3
368.25171	3.8
369.26379	15.5
385.25797	6.1
386.69485	2.5
483.83417	2.8
521.34528	2.5
573.49182	3.2
599.50037	6.3
643.45593	12.5
661.46649	11.1
679.47638	4.2
714.42010	6.0
715.43378	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	714.551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.05520	7.7
56.05050	3.6
57.07086	3.8
60.04523	2.4
62.50254	0.6
67.05513	11.0
68.05048	0.9
69.03417	0.9
69.07077	5.4
70.06576	2.0
71.08633	1.4
79.05494	9.6
80.04996	3.1
81.05785	1.5
81.07054	11.5
82.02921	0.6
82.06577	5.6
83.08633	3.8
84.08108	0.7
85.02914	1.8
85.10190	0.8
91.05493	8.8
93.07047	9.8
94.06571	15.5
95.06935	0.6
95.07367	5.9
95.08625	7.2
96.08143	4.4
97.10172	2.0
98.22529	1.6
105.04527	0.6
105.07032	6.3
106.07347	0.7
107.08614	4.6
108.08112	3.8
109.10160	3.1
119.07850	0.9
119.08589	6.0
121.08860	0.9
121.10139	5.1
122.09667	2.4
123.11711	0.8
133.10132	3.6
135.10565	0.7
135.11682	3.5
136.11188	1.1
147.11700	0.9
149.13295	0.9
201.20645	0.7
229.16411	0.9
233.22600	5.4
240.94205	0.8
245.22659	5.6
250.25308	6.4
254.24736	1.3
262.25320	100.0
263.25763	7.8
272.25836	6.5
280.26410	8.2
504.47543	6.2
516.47784	33.4
516.53418	0.5
517.48145	5.3
518.49133	4.9
519.49847	1.3
534.48846	19.1
535.49243	3.4
696.53857	3.1
697.54285	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	715.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.14858	0.5
55.01861	0.9
55.05510	0.6
59.12937	0.4
65.03933	1.2
67.05515	0.8
68.99794	2.5
69.03442	0.7
70.06236	1.3
79.01851	2.3
81.56170	0.4
83.04981	1.1
91.22927	0.4
93.03424	0.6
95.04971	0.6
97.02895	1.1
107.01303	0.8
111.00818	0.8
111.04452	5.3
115.05449	0.4
115.87997	0.4
117.62603	0.4
121.02913	0.8
123.04442	3.5
123.22420	0.4
125.02381	1.5
127.03923	2.5
131.04926	0.5
135.04482	1.0
137.05942	0.9
139.03906	100.0
140.04279	2.3
143.03381	3.2
145.02864	0.7
151.03909	4.3
153.01836	42.0
153.02907	2.5
154.02106	1.0
155.03360	1.2
161.05894	0.5
163.03914	11.4
167.03403	1.3
169.06465	0.6
177.05554	1.4
179.03438	2.1
179.04774	0.5
180.04802	0.4
181.04967	3.4
195.04300	0.6
197.06088	1.4
200.04605	0.6
201.05537	0.7
207.04401	0.7
213.05457	1.2
215.07039	0.6
217.04764	0.6
221.06075	0.7
225.05536	1.2
229.04944	2.6
233.05971	0.5
235.03905	1.0
235.07550	0.6
237.05476	0.9
241.04933	1.5
243.06525	1.1
245.04327	1.0
249.05452	0.9
251.06883	1.0
253.04990	5.5
254.05678	0.6
257.04443	1.8
261.05542	0.5
263.07108	0.6
265.04932	1.4
267.06552	1.6
269.04556	1.6
271.05994	2.7
277.04913	1.2
279.06537	0.8
281.04510	7.3
282.05075	1.2
283.06192	0.7
287.07153	0.7
291.06595	0.7
293.04373	0.8
295.06027	0.9
299.05429	2.9
303.06320	0.6
305.04510	0.6
305.07932	0.5
307.06125	0.6
312.94345	0.4
315.06473	0.8
319.05939	1.5
321.07626	0.6
323.05316	0.7
327.06497	0.8
331.06256	0.6
333.06067	5.6
335.05435	0.9
343.05981	1.2
345.07547	0.8
347.05533	0.9
349.06946	1.3
355.05963	0.7
361.07056	1.7
365.06522	0.5
371.05414	0.7
373.07272	2.3
374.07880	0.6
377.06564	2.3
379.08212	1.7
389.02682	0.4
389.06741	3.8
391.08044	1.7
393.06235	0.8
395.07712	1.2
401.06583	1.7
407.07648	7.8
419.07587	2.6
425.08615	3.1
437.08624	1.7
499.10349	0.5
527.09607	2.0
545.10529	2.7
559.08643	0.5
563.11639	1.0
577.09656	10.3
578.10107	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	715.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
57.03425	1.3
60.06478	0.5
63.02374	1.0
66.04441	0.4
67.05480	0.4
68.99798	1.4
69.03426	1.9
69.67465	1.8
78.04730	0.6
81.03406	2.6
85.02923	0.6
89.03909	8.1
91.05464	1.3
94.87737	0.6
95.04964	0.5
98.23462	0.5
99.04458	1.2
105.03403	0.4
107.04895	0.8
109.02859	1.1
111.00805	0.5
111.04431	0.9
117.03384	25.7
118.03724	0.7
119.04917	0.5
121.02856	0.5
121.06506	0.7
123.04392	1.9
125.02322	0.5
127.03892	1.7
134.03604	1.3
135.04401	1.8
137.02364	1.7
139.03905	22.3
144.05696	0.8
145.02849	71.5
146.03185	2.7
147.04367	1.1
149.05988	8.7
151.03900	1.5
153.01839	12.7
153.02834	0.4
161.05983	0.8
162.03145	7.7
163.03908	4.1
164.44485	0.5
165.01886	1.4
167.07152	1.1
171.04465	1.5
173.02408	0.7
173.05969	0.5
174.03111	1.3
175.03920	1.6
176.04546	0.6
177.05470	100.0
178.05786	3.8
179.03416	1.0
181.05025	1.6
183.02841	0.7
186.05453	1.1
187.07541	0.8
189.05371	0.6
200.04668	0.7
201.05469	2.0
203.06999	0.9
205.04979	0.7
213.05528	0.7
215.07054	1.9
219.06525	17.3
220.06847	1.0
229.04964	3.7
233.08163	1.3
247.05989	1.0
251.09154	67.1
252.09492	3.0
253.05016	1.5
257.04367	2.4
265.04968	0.6
273.64883	0.5
281.04440	1.8
285.04034	0.6
299.05600	0.7
303.04990	60.8
304.05325	3.7
321.09644	0.6
333.06207	1.1
347.05045	0.6
349.06989	0.5
389.06210	0.6
395.13358	4.2
396.13638	0.5
407.07550	1.3
413.14438	10.6
414.14923	1.0
419.07654	0.9
425.09363	0.6
437.08505	0.6
447.81781	0.5
553.23102	0.8
577.09381	2.1
590.15930	0.5
715.21478	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	715.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03852	0.4
53.04077	0.4
55.01764	0.8
55.02000	0.5
55.05420	0.4
55.05638	0.5
57.03305	0.9
57.03550	0.5
61.02754	1.9
61.03109	1.9
67.05296	2.4
67.05704	2.9
69.03210	1.5
69.03638	1.9
69.07235	0.9
71.04826	0.6
71.05157	0.7
73.02682	1.0
73.03120	2.0
79.05713	1.4
81.03123	0.9
81.03644	1.5
81.06747	1.5
81.07289	2.4
83.08369	0.5
83.08807	0.9
85.02581	1.2
85.03159	2.1
91.03606	0.9
91.04224	1.9
91.05701	1.2
93.06645	1.1
93.07305	2.4
95.04562	0.4
95.05148	0.5
95.08836	1.0
97.03162	2.4
97.06148	0.4
97.06719	0.7
99.04118	0.5
99.04691	1.0
100.58028	0.4
101.02641	1.3
105.07249	0.7
107.08894	1.5
109.03112	0.7
109.09634	0.9
109.10456	3.0
111.08318	0.4
115.22205	0.4
117.07192	0.6
119.08802	0.7
121.09604	0.5
121.10365	0.9
127.04240	1.3
133.10384	0.7
135.11963	1.0
149.13565	0.9
159.12021	0.9
172.26674	0.4
173.12093	1.1
185.04533	0.8
195.10345	0.6
229.14644	0.7
235.13354	0.8
243.08902	2.3
251.12907	0.5
269.17743	0.7
291.15863	0.6
379.12552	0.5
413.17828	7.1
413.22495	0.7
435.32156	0.4
453.20920	6.5
454.21631	0.7
463.27185	0.5
467.19095	0.9
469.20544	0.9
471.22418	0.8
485.18542	1.1
552.39410	0.5
585.33142	0.7
596.30896	0.6
625.31952	61.7
626.32184	6.7
651.34137	0.6
669.34418	1.2
688.54767	0.5
697.33911	3.2
714.37061	0.8
715.33411	100.0
716.33759	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	715.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01867	0.6
55.05502	0.9
57.03437	1.7
61.02930	4.4
66.19672	0.4
67.05507	2.2
69.03444	3.7
69.07055	1.0
71.01368	0.9
71.04999	1.0
73.02911	2.6
79.05494	3.2
81.03425	4.1
81.07059	3.0
83.04999	0.9
83.08633	1.3
85.02908	5.6
87.50491	0.5
91.03996	2.3
91.05475	3.2
93.07046	2.7
95.04983	1.9
95.08628	1.1
97.02901	4.9
97.06564	0.9
98.22649	1.2
99.04455	1.0
101.02397	1.3
105.07014	2.5
107.04951	1.0
107.08614	1.1
109.02919	0.6
109.10165	0.9
111.08126	0.6
115.03929	0.5
119.08593	1.8
121.10175	3.1
123.08091	0.5
127.03954	1.5
129.06984	1.1
131.08582	1.6
133.10161	1.4
137.05997	2.2
139.11186	0.8
147.11732	1.2
149.09642	0.8
151.07542	3.1
156.67679	0.4
157.10164	1.7
160.39740	0.5
163.03993	0.5
175.11249	1.0
177.09131	0.8
185.04271	0.6
187.14952	0.5
189.01787	0.5
189.09193	1.6
191.03403	0.8
193.12299	3.0
217.01355	1.1
219.02885	1.2
225.11208	0.5
229.07040	0.5
235.02402	2.1
243.08527	1.8
245.00929	0.9
245.15460	0.6
251.12529	2.2
267.16147	0.8
269.13477	0.9
273.00519	0.5
279.88809	0.4
285.16977	0.6
303.05130	1.2
319.01031	0.7
337.02026	2.5
343.19275	0.7
371.16821	0.5
379.03061	1.6
421.03946	0.6
443.18826	4.6
469.20499	9.7
470.20840	1.2
474.98438	0.9
481.06177	0.5
487.21616	4.2
488.22717	0.7
671.32416	2.0
697.33832	2.1
715.35089	100.0
716.22705	0.7
716.35461	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	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.05513	1.1
57.03451	2.1
58.36340	0.4
61.02924	4.7
67.05519	3.8
69.03434	2.5
69.07056	0.8
69.43815	1.8
71.01357	0.8
71.03606	0.4
71.05010	0.7
73.02928	3.6
74.82696	0.4
79.05505	3.6
81.03422	4.6
81.07069	3.2
83.04993	1.2
83.08642	1.1
85.02917	5.6
87.04468	0.6
88.64352	0.4
91.03963	2.8
91.05483	3.7
93.07034	2.3
95.04990	1.8
95.08634	1.5
97.02903	4.0
97.06559	0.9
98.23357	0.8
99.04485	0.6
101.02390	2.0
103.03964	0.4
105.07050	2.7
106.64869	0.4
107.04959	1.0
107.08611	1.2
109.02900	0.9
109.06529	0.6
109.10188	0.4
111.08117	1.0
111.89299	0.4
117.07082	0.7
119.08611	2.7
121.10175	1.6
127.03959	1.3
129.07005	1.2
131.08609	1.5
133.10127	2.1
147.11726	1.8
149.09650	1.1
154.41260	0.4
157.10162	1.6
175.11226	1.0
177.82774	0.4
185.04231	0.6
193.12343	1.8
203.05347	0.6
211.13416	0.5
243.08427	2.4
251.12527	2.8
269.13705	1.2
283.15433	0.5
285.17102	0.7
307.15274	1.0
368.13370	1.0
443.18915	1.6
455.19131	1.7
469.20419	13.2
470.21045	0.9
487.21619	4.0
501.23318	1.6
521.21411	0.6
671.31750	0.5
683.26453	1.8
697.34003	6.2
698.34540	1.4
715.35120	100.0
716.35400	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01889	0.5
55.05519	0.8
57.03449	2.0
61.02932	4.1
61.46512	0.3
67.05503	2.1
68.26759	0.3
69.03429	3.0
69.07069	1.2
69.15399	2.5
71.01353	0.5
71.04982	1.0
73.02921	2.6
78.54562	0.3
79.05503	2.8
81.03419	5.2
81.07062	2.3
83.04990	1.2
83.08629	1.3
85.02916	5.0
89.73426	0.3
91.03959	2.4
91.05479	3.2
91.16579	0.3
93.07042	2.3
95.04987	1.7
95.08626	1.1
97.02897	3.3
97.06625	0.3
99.04494	0.8
101.02398	1.5
102.65415	0.3
103.03970	0.5
105.07039	1.5
107.04951	0.6
107.08604	1.1
109.02895	0.6
109.06544	0.4
111.08053	0.7
119.08598	1.9
121.06599	0.4
121.10145	2.3
123.08100	0.5
125.09648	0.4
127.03919	1.0
129.06969	0.7
131.08597	1.0
133.06529	0.5
133.10127	1.8
139.11230	0.9
145.04980	0.4
147.11736	1.1
149.09653	1.3
157.10193	1.6
175.11266	1.2
185.04298	0.6
192.50829	0.3
193.12247	2.2
211.13396	0.6
225.11037	0.6
243.08394	3.5
251.12610	1.6
267.15979	0.7
269.13538	1.6
285.16943	0.6
287.48557	0.4
307.15417	0.4
325.16071	0.4
443.18875	4.5
444.19025	0.4
469.20450	11.0
470.21048	1.0
487.21552	4.3
671.32471	2.1
697.33630	2.3
715.35089	100.0
716.35419	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.05508	1.0
57.03447	1.8
61.02919	2.2
67.05499	3.0
69.03418	2.1
69.27949	5.3
70.59378	0.9
71.04985	1.1
72.53927	0.9
77.14679	0.9
81.03432	1.6
81.07069	2.3
85.02878	2.1
91.03946	1.5
91.05486	2.0
93.07051	1.3
95.04961	1.5
95.08641	1.1
97.02919	1.7
97.06570	1.2
98.23455	0.8
100.82938	0.9
109.10137	1.8
127.03844	1.0
181.79724	0.8
185.04137	2.0
203.05238	1.1
211.31122	1.0
218.09329	0.9
243.08549	1.5
275.07635	1.2
331.10135	3.2
347.09543	3.4
363.08981	2.7
413.17871	2.2
427.19409	1.5
437.12802	1.7
453.21011	3.0
471.22153	1.5
483.21515	1.6
493.15268	3.9
535.20166	1.7
553.30005	10.6
563.23627	1.3
611.64050	1.0
625.31976	17.7
625.65582	1.0
626.32031	2.0
645.27039	1.1
671.35657	1.6
715.35254	100.0
716.35535	15.0
749.65961	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	715.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.54984	0.7
57.03429	1.5
61.02941	3.7
67.05492	4.6
69.03444	1.4
69.27776	2.0
69.28187	2.3
71.05009	0.8
73.02927	2.5
79.05507	1.5
81.03449	1.5
81.07069	3.2
83.01125	0.7
83.17822	0.7
85.02917	2.9
91.03979	1.9
91.05486	1.8
93.07055	2.1
95.08630	1.0
95.22443	0.8
97.02914	2.3
99.04488	1.0
107.08669	1.5
109.10178	3.3
133.10156	1.0
149.13272	1.4
173.11832	1.3
185.04272	3.2
201.03749	1.2
202.53252	0.8
203.05309	3.2
204.22440	0.9
222.06125	0.7
243.08354	1.4
250.86501	0.7
250.89526	0.8
259.07932	2.3
307.11810	0.9
331.10068	2.5
345.11435	0.9
347.09619	2.5
363.09134	1.4
365.10669	2.7
413.17789	5.2
415.19370	0.9
418.26031	0.7
421.13232	1.3
453.20929	4.8
477.30164	0.8
483.21887	2.0
493.15155	3.4
553.29907	9.0
554.30322	1.3
577.24780	1.1
603.25952	0.9
625.31909	45.9
626.32159	6.4
645.27747	1.4
697.33215	1.2
715.34955	100.0
716.35266	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	715.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
57.07098	1.4
57.36953	1.1
60.08162	4.5
67.05511	7.1
67.66518	1.2
69.07054	2.9
71.07360	3.4
79.05498	3.0
81.07042	6.1
83.08625	3.9
85.10180	1.4
86.09708	30.8
87.10041	4.5
91.05484	3.3
93.07048	3.9
95.04991	1.6
95.08614	5.1
97.10171	1.4
98.22580	2.8
98.98478	4.4
104.10732	1.4
105.07043	1.6
107.08596	2.8
109.10149	1.8
119.04228	1.3
119.08544	1.8
120.96656	1.2
121.10190	2.4
125.00000	19.1
126.00365	1.2
131.08577	1.4
133.07837	1.3
135.11674	2.9
145.10139	2.5
147.11794	1.5
163.11198	3.2
175.11481	1.1
184.07349	88.3
185.07700	14.1
195.00323	1.6
227.12813	2.1
283.15421	3.6
311.25775	3.4
388.53006	1.4
454.05328	1.7
519.36633	5.1
600.50458	2.5
715.41516	100.0
716.41705	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	715.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.4
66.51404	0.9
67.05505	4.6
69.07082	2.5
69.17255	1.0
69.68902	4.5
71.05008	2.8
76.96911	0.9
79.05511	2.2
81.07066	3.1
83.08660	1.5
86.99907	1.0
91.05521	2.5
93.07055	2.3
95.04994	4.1
95.08628	2.3
97.10197	1.1
101.79931	0.8
105.07027	1.1
107.08616	1.3
109.10228	1.1
111.04450	1.1
113.06004	8.3
114.34502	0.9
116.84219	0.9
131.07144	1.0
134.63242	0.9
149.06015	1.7
173.08110	1.8
175.41716	1.3
193.05133	1.0
243.63922	1.0
251.34854	1.0
333.20596	3.5
349.19904	6.8
369.46448	0.9
389.23071	2.2
394.00751	1.1
405.22504	5.7
450.03757	1.1
553.33136	1.4
600.50952	3.2
715.44025	100.0
716.44385	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05499	1.4
57.30406	0.9
67.05514	3.4
69.07064	3.2
70.06570	1.1
71.30785	0.8
79.05481	3.2
81.07038	5.2
82.07379	1.1
88.07612	1.0
93.07050	3.8
95.08614	2.1
105.07033	2.4
107.08587	1.4
109.10184	1.4
131.08600	1.5
133.10170	1.1
147.11691	1.2
149.02344	1.2
177.72595	1.2
184.07437	1.6
193.05051	2.0
225.52760	1.0
235.34587	1.1
254.55997	0.9
313.33240	0.9
333.20279	5.0
349.20007	4.5
354.10062	1.0
389.23105	3.9
405.22488	3.2
600.50555	2.4
617.45654	1.4
715.43744	100.0
716.44263	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	716.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25562	0.5
53.03923	1.1
55.00305	0.5
55.01860	0.5
55.05488	1.3
57.03390	1.9
57.03639	0.5
61.02887	1.8
67.05466	2.4
69.03433	6.9
69.07088	2.7
71.04954	1.6
71.29327	0.8
73.02869	1.9
79.05444	1.8
81.03429	3.9
81.07054	3.3
83.04952	0.6
83.08591	0.8
85.02917	5.3
87.04426	0.8
91.03911	0.7
91.05455	1.8
93.07001	1.7
95.04929	1.7
95.08613	3.1
97.02908	3.0
97.06551	0.5
99.04444	1.0
101.02374	1.1
103.05442	1.2
105.06979	2.1
105.07595	0.5
107.04888	0.5
107.08550	1.6
109.02831	1.6
109.06477	0.7
109.10105	1.1
111.04369	1.1
115.81440	0.6
117.07014	1.0
119.08480	0.7
121.06471	2.4
121.10120	0.8
123.08023	1.9
123.11668	1.0
127.03922	3.5
131.04858	0.5
131.08553	0.8
133.06419	0.6
135.07970	1.3
135.11688	0.6
137.05002	0.6
137.05995	9.4
147.04436	1.3
147.08058	0.6
149.09584	0.9
151.03899	0.7
151.07561	19.8
157.02806	0.9
157.10066	1.0
161.05988	0.7
161.09613	1.0
163.07475	0.8
165.09103	1.0
167.07097	0.8
171.07886	0.6
175.03902	1.9
175.07513	2.3
175.11125	0.6
177.09077	4.2
185.02313	1.1
187.03917	3.9
189.09068	1.5
191.03412	0.7
191.10635	1.8
195.13846	0.6
201.01732	1.5
201.08890	0.7
203.03418	3.3
213.01909	3.2
215.03439	4.2
217.08784	0.5
219.13811	0.9
229.01346	1.0
231.02907	18.0
232.03156	0.8
235.16878	1.9
237.19569	0.7
241.01385	2.9
245.15320	1.6
247.02380	2.3
257.00757	2.7
257.15204	0.6
259.02399	33.8
260.02728	1.1
275.01846	3.7
276.02612	1.9
277.03458	100.0
278.03793	4.4
285.00287	2.5
303.01382	33.5
304.01718	1.6
321.02451	2.2
325.17917	1.4
343.19031	1.5
361.19907	1.3
423.05316	0.6
447.05841	0.7
465.06631	4.6
469.20929	0.8
487.22345	0.6
606.23297	0.6
626.32190	1.3
672.51025	0.7
684.33398	0.6
698.34412	1.2
699.23413	1.1
699.35284	0.7
715.34906	6.0
716.35004	18.8
717.36548	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	716.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77069	0.7
53.03953	2.1
53.04711	0.8
55.01875	2.1
55.65130	0.8
56.59760	0.8
57.60782	0.9
62.09789	0.8
65.03944	22.0
66.04263	0.8
67.05509	3.7
69.03432	0.8
71.01357	1.1
79.05490	2.8
82.04204	4.1
91.05500	6.7
93.03410	9.7
93.07045	4.8
95.01331	2.9
95.04987	4.3
97.06545	1.0
98.22499	1.3
103.05478	4.3
105.04528	1.2
105.07067	0.9
107.04938	5.1
108.02086	3.6
110.03664	19.5
111.04456	21.5
115.05480	1.4
119.04954	3.2
120.05728	23.6
120.06551	1.4
121.02862	6.9
121.06524	22.8
123.04428	2.0
125.06009	22.3
126.84296	0.7
131.04948	2.1
133.02831	0.9
135.04416	2.1
136.07591	1.0
137.05083	0.7
137.05971	4.2
137.06958	0.9
138.03136	2.5
138.09105	1.2
141.05498	1.2
145.06473	2.1
147.04427	2.2
147.08064	0.8
149.02359	4.8
149.06049	1.3
151.03920	36.9
151.05011	3.0
152.04280	0.9
153.05470	70.8
154.05807	1.9
161.05981	2.8
163.03961	1.7
163.07574	0.9
165.05461	1.7
165.06961	1.2
167.07056	10.7
168.07391	1.1
173.05942	3.6
175.82225	0.9
177.05542	1.9
177.07008	1.4
178.06242	1.0
178.07730	0.9
179.03555	1.0
179.07069	1.8
179.08530	1.3
181.04997	2.8
183.06453	0.9
189.07030	1.2
191.07027	1.2
191.08618	1.7
194.07300	2.7
195.06487	1.8
195.08080	1.7
200.04712	1.1
201.05479	10.9
205.06502	3.4
206.07330	1.3
207.06393	1.5
207.08095	3.2
209.06123	0.9
209.09703	2.1
213.05521	4.8
217.06511	1.0
219.08044	2.6
220.05238	1.5
220.08823	0.9
221.06139	4.1
222.06761	6.8
223.07550	2.7
224.08205	0.8
231.06528	3.3
232.13824	0.8
233.05989	2.4
234.06665	4.4
235.04019	1.1
235.07550	6.4
236.08220	1.6
237.09151	7.7
239.07124	1.6
246.06828	1.1
247.07481	4.1
248.04654	1.8
248.08275	0.9
249.05428	4.5
249.09160	1.5
250.06258	13.3
250.08730	0.5
251.06952	7.1
252.07787	1.6
253.08449	1.2
259.07581	1.3
261.05466	2.1
262.06323	2.1
263.07022	6.4
264.04077	0.7
264.07770	2.8
265.05573	1.2
265.08591	16.9
266.09109	2.9
267.06458	4.3
267.10336	1.2
269.08139	1.0
275.06949	2.9
276.07870	2.3
277.05035	2.0
277.08481	2.6
278.05688	12.7
278.08344	1.2
279.06445	8.2
279.09375	1.2
280.07196	3.3
281.08093	3.2
282.08591	1.6
282.11456	1.8
287.06747	1.0
289.04904	1.8
290.05856	2.4
291.06543	5.0
292.07248	3.5
293.08075	26.8
294.08533	6.6
295.05975	2.9
295.09366	4.5
296.06531	1.0
296.09686	0.9
297.11218	3.4
303.06476	3.4
304.07303	3.3
305.04715	1.2
305.08136	2.7
306.05151	1.9
306.08359	1.2
307.05994	4.9
307.09521	2.4
308.06485	2.0
308.09644	1.1
309.07373	1.3
310.07709	4.0
310.11264	1.6
311.08945	1.0
319.06024	2.7
319.09622	1.5
320.06812	1.5
321.07556	25.1
322.08212	7.9
323.09128	9.9
324.09030	1.1
325.10712	12.0
326.10684	1.1
327.12131	1.1
333.07434	3.7
334.08218	2.1
335.09131	5.4
336.09265	1.1
337.10611	2.0
338.10977	5.3
347.09506	1.4
349.10553	1.0
351.08728	2.9
352.12411	1.0
353.10208	100.0
354.10556	9.0
355.11673	3.7
361.10562	1.4
365.10187	22.7
366.10675	3.3
367.11832	9.6
371.11227	2.1
379.11813	1.0
380.14893	6.0
383.11142	4.5
385.12790	5.8
386.13086	1.3
420.53445	1.0
430.16147	1.3
458.15991	25.1
459.16599	2.4
460.17783	1.3
488.16922	1.9
490.18631	47.7
491.18954	7.1
492.19861	1.8
499.13992	1.1
502.18628	9.0
503.18909	2.5
520.19806	4.6
552.53760	0.9
579.18433	1.0
716.34149	2.5
717.35797	2.7
736.96338	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	716.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01862	1.7
55.21782	1.0
61.27510	0.9
65.03941	4.2
67.05513	1.8
77.03906	0.9
77.80174	1.0
79.05492	1.4
81.03426	1.7
81.07074	1.4
84.44125	0.9
85.02872	1.2
91.05484	10.3
93.07049	5.5
95.04970	2.9
103.05486	5.9
105.03380	1.1
105.07035	3.2
107.04982	3.1
110.03682	3.4
111.04459	1.8
115.05445	1.5
117.07028	1.0
119.04948	4.2
120.05750	10.3
121.02878	3.0
121.06518	20.2
125.06012	3.2
131.04965	1.4
133.02855	12.2
133.06493	4.6
136.07549	1.4
137.05974	6.3
137.06888	1.1
137.09592	1.5
143.04863	1.0
145.02962	1.2
145.06537	1.2
147.04434	3.7
150.09132	2.4
151.03934	1.8
151.07550	3.0
151.33987	0.9
153.05470	9.7
164.07083	2.8
165.05511	3.4
165.06927	1.0
165.09181	2.2
167.07083	7.7
167.08296	1.4
173.06088	1.6
175.07600	2.7
177.05421	4.5
178.07777	1.7
178.91739	1.0
181.04965	3.6
189.06950	2.6
191.07082	2.6
191.08598	1.1
192.07591	1.2
195.07993	1.5
202.07901	1.9
203.06975	1.2
203.08688	1.2
205.06544	3.3
206.07289	3.5
209.05910	1.1
211.07668	1.0
218.07271	3.0
219.08032	3.1
221.06004	1.5
221.09709	2.3
222.06680	1.6
223.07617	1.2
224.04593	1.1
224.08318	1.0
225.09128	1.2
231.08121	1.7
233.06058	3.1
234.06773	9.5
235.07533	5.3
236.08226	2.0
237.09065	2.2
239.06828	0.9
244.05240	2.0
245.06003	2.8
246.06602	1.9
247.07553	4.4
248.08414	3.4
249.05484	1.7
249.09143	4.0
250.06133	2.0
251.07034	1.9
251.10953	0.9
252.07841	3.6
253.08693	1.5
259.07507	2.0
260.04639	2.2
260.08328	2.7
261.05475	3.7
261.09106	3.8
262.06268	7.6
263.07080	6.5
264.07809	4.0
265.08569	3.8
266.09293	1.5
267.06491	1.5
267.10162	3.3
272.04877	1.9
273.02692	0.9
273.05466	2.2
274.06323	3.1
275.07001	5.2
276.07629	5.3
277.05371	2.1
277.08545	13.8
278.05920	1.3
278.09033	2.1
279.06534	4.0
279.10248	1.5
280.07159	1.6
281.08215	1.5
287.06989	8.9
288.07629	2.0
289.04883	1.9
289.08499	1.9
290.05710	12.3
290.08603	1.4
291.06418	4.9
291.10037	2.4
292.07242	6.1
292.10098	1.2
293.04907	1.2
293.08066	4.4
295.09521	2.1
296.10623	1.3
303.06714	2.2
303.09879	1.2
304.07306	4.8
304.10257	1.4
305.04819	2.0
305.08057	16.3
306.08408	2.9
307.05865	3.6
307.09692	7.2
308.10275	1.4
314.13910	5.8
315.06522	2.7
316.07013	1.2
317.08032	1.8
318.05368	5.9
319.05972	3.0
319.09436	1.5
320.06406	2.3
320.09662	1.5
321.07523	2.5
321.11264	2.9
322.08279	1.8
323.09146	8.9
324.09695	1.9
325.10660	2.7
332.06433	1.6
333.07584	37.7
334.08206	6.3
334.11911	1.7
335.06177	1.1
335.09158	11.6
335.12790	2.0
336.09021	1.6
337.10648	6.4
339.12372	2.7
341.13962	2.0
349.10767	2.0
350.07788	2.9
350.31531	1.0
351.10953	1.4
353.10190	19.6
353.13943	1.7
354.10776	2.3
355.11789	18.1
356.12094	1.3
363.08524	6.9
365.10208	100.0
366.10425	8.3
367.11774	9.9
371.15125	1.3
385.12814	18.1
386.13211	1.8
453.13171	4.0
470.15820	3.4
485.15707	5.9
499.17429	3.2
500.17084	23.5
501.17529	2.6
502.18744	10.1
503.19223	1.8
517.18323	1.6
716.26190	17.2
716.37555	1.3
717.26447	2.1
717.37494	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	716.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	18.9
67.05503	14.9
69.03455	8.7
79.05497	11.6
80.37483	8.4
81.07073	12.4
91.05482	22.0
93.07059	13.1
101.73740	9.2
103.05504	12.3
105.07079	9.2
110.03644	15.7
111.04482	16.3
121.06494	54.4
123.04404	11.4
125.05970	9.8
131.05013	14.8
133.02875	43.1
137.06017	28.3
145.02826	8.5
145.90685	9.0
153.05463	48.1
165.09145	13.0
167.07076	43.1
177.05537	26.3
179.06966	8.7
181.05013	26.6
182.05473	10.3
191.07042	18.3
192.07574	15.2
202.91768	8.2
203.07007	12.4
213.46056	8.3
237.09146	11.8
247.07355	9.3
249.37526	9.1
263.07135	18.2
291.09937	11.4
295.09772	9.2
311.08945	9.1
314.13895	27.3
321.07541	11.6
323.09106	25.8
347.63412	11.0
353.10315	26.0
355.11829	65.4
367.11734	11.2
368.12231	9.3
499.17715	10.2
601.76501	9.6
716.35358	100.0
717.37128	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
57.03413	0.7
57.20351	0.2
61.02900	0.9
64.17999	0.3
69.03430	2.0
69.19572	1.4
69.19975	0.5
71.04975	0.3
73.02903	0.3
78.23053	0.2
81.03397	0.9
85.02908	7.3
91.05470	0.4
97.02893	2.8
99.04424	0.5
109.02870	0.9
111.50061	0.2
115.05453	2.0
117.07008	1.0
123.04379	0.4
127.03931	1.3
127.05435	0.7
128.06212	2.7
129.07014	14.0
130.07335	0.7
131.04918	1.0
131.08571	2.7
133.10101	0.3
137.05991	0.5
139.03929	0.4
141.07045	0.6
143.04947	1.1
143.08580	0.4
144.05727	1.2
145.05022	1.7
145.06506	1.8
146.07303	1.5
147.04485	0.2
149.06035	0.3
151.03915	0.2
155.04919	4.0
155.06049	0.5
157.06506	5.8
158.07291	3.7
159.04420	0.8
159.07959	0.7
160.05240	2.7
161.05942	0.9
161.09636	1.4
162.07631	0.3
163.05936	0.4
172.05171	2.1
173.05997	4.4
174.06775	26.6
175.07561	11.8
176.07898	0.5
177.05473	0.5
177.09140	0.5
180.08667	0.6
183.04427	1.0
187.07555	20.7
188.07986	1.4
189.09113	26.1
190.09438	1.6
200.04662	0.3
201.05450	2.4
203.07039	3.2
205.04976	4.8
205.08649	0.8
206.05188	0.3
215.07021	12.5
216.07430	0.7
233.08098	100.0
234.08421	5.6
251.09171	31.3
252.09552	2.1
306.08603	0.3
426.94141	0.2
683.92529	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	716.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01871	5.6
55.05513	21.7
57.03437	9.3
57.07080	1.3
59.05006	4.5
61.02925	3.0
65.03940	2.9
67.05505	87.8
68.05812	1.2
69.03430	7.6
69.07067	26.0
71.05000	4.7
71.29138	1.0
71.30249	0.9
72.68453	0.9
73.02911	1.0
79.05067	1.5
79.05497	21.9
80.05838	0.7
81.03413	6.3
81.07060	28.4
83.04977	3.7
83.08619	13.2
85.02888	2.4
85.06546	3.5
91.05478	19.0
93.07050	16.5
95.04957	7.3
95.08600	13.9
97.02896	8.1
97.06554	2.3
97.10162	8.5
99.91418	0.9
105.07031	12.1
107.04955	5.4
107.08595	11.0
109.06520	3.4
109.10156	70.1
110.10480	1.4
111.04471	1.0
111.08069	4.5
117.07005	4.5
117.28419	0.9
119.04955	2.0
119.08572	16.7
121.06496	2.9
121.10139	3.2
123.08051	4.2
123.11686	0.8
125.09615	8.7
127.03884	1.1
128.06245	1.2
129.07027	2.5
131.08563	6.0
133.06525	1.7
133.10133	6.0
135.08112	4.3
135.11723	1.9
137.09615	4.5
143.08542	2.8
145.10117	3.4
147.08075	4.8
147.11687	2.5
149.09622	1.2
149.13234	1.6
151.11192	1.6
153.09161	1.4
155.10667	3.0
157.10152	2.0
159.11681	2.2
161.09650	2.9
163.11177	2.0
165.09122	1.3
171.11674	2.1
173.11745	21.7
173.13118	1.0
175.11145	1.9
177.12752	2.0
184.07355	3.2
189.11237	2.2
203.14479	0.8
205.12201	1.9
207.61487	1.0
223.13289	16.9
227.12790	5.2
229.14354	79.3
230.14647	2.9
245.19023	1.7
249.14917	3.7
253.14240	5.1
273.18509	15.5
291.19540	97.6
292.19861	6.5
342.33582	0.8
347.22293	2.3
365.23233	44.7
366.23529	2.2
381.89554	1.3
399.23630	1.8
421.25949	1.0
425.25351	1.3
432.40564	1.0
439.26828	3.0
472.16165	0.9
501.31940	2.1
519.33160	100.0
520.33508	14.3
537.34338	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	716.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.7
53.03942	2.6
55.01862	1.5
55.05517	3.0
61.02921	0.9
65.03941	1.6
67.05183	0.8
67.05513	14.5
68.99773	1.1
69.03429	4.0
69.07063	2.5
69.09571	4.6
71.01326	0.8
71.04990	0.7
72.23902	0.5
73.02899	0.7
75.41740	0.6
79.05496	12.2
81.03422	16.6
81.07060	11.8
83.04980	1.1
83.08624	1.3
85.02911	2.3
91.05477	15.7
93.03415	1.1
93.07046	15.9
95.04970	21.9
95.08613	10.2
97.02891	2.2
97.06525	2.4
99.04450	0.8
101.02316	0.8
103.05488	4.4
105.03362	0.7
105.04530	1.0
105.07029	8.6
107.04951	7.5
107.08597	5.4
109.02881	1.0
109.06496	2.8
109.10163	3.1
111.04438	1.5
111.08078	0.9
115.05433	1.2
117.07040	3.8
119.04965	1.1
119.08588	6.5
121.02881	7.6
121.06508	100.0
121.10125	6.2
122.06831	3.6
123.04425	3.9
123.08054	2.8
123.11704	1.0
125.02332	1.5
125.05954	1.1
127.03914	1.9
128.06230	1.0
129.07011	4.7
131.04913	1.4
131.08577	10.7
133.06503	4.8
133.10129	4.0
135.04433	1.6
135.08043	2.1
135.11678	3.4
137.05981	3.7
138.09138	28.1
139.03897	17.3
139.09534	1.0
141.05495	1.2
141.06973	1.6
143.08598	4.0
145.06470	2.6
145.10104	5.3
147.04425	1.4
147.08058	5.8
147.11682	2.7
149.05959	1.8
149.09654	2.3
149.13275	1.5
151.03925	4.6
153.05524	1.9
155.08577	2.0
157.06494	0.9
157.10118	1.7
159.08093	1.5
159.11696	2.1
161.06007	1.2
161.09654	1.8
161.13213	0.6
163.03876	1.7
163.07536	1.2
165.05479	7.0
166.07875	0.6
167.03438	2.2
167.08540	1.5
169.10143	1.6
171.08075	1.5
171.11717	1.3
171.23354	0.6
173.06020	1.2
173.09674	2.5
173.13293	1.4
175.03952	6.6
175.07556	2.8
175.14886	0.7
177.05519	2.8
177.09097	0.7
179.07123	1.3
181.08733	0.8
181.10139	1.2
183.07956	0.8
183.11603	0.6
185.09644	1.3
185.13301	0.9
187.07532	1.1
187.11304	1.0
187.14810	0.9
189.05502	2.3
189.09081	1.1
189.12744	0.7
191.03362	1.0
191.06998	4.5
191.10667	1.0
191.21341	0.7
193.05031	2.3
195.11600	0.9
197.09595	1.4
199.11320	0.8
199.14905	0.7
203.07037	0.7
205.08569	0.7
207.06552	1.2
207.11748	0.6
211.14713	0.7
213.09084	0.8
213.16472	0.7
215.17929	0.8
217.08656	1.5
219.06592	3.4
229.08640	0.7
229.12155	0.7
233.08290	0.7
235.05824	0.8
241.12308	0.6
245.07956	0.9
251.10648	0.6
269.11685	1.0
395.22046	1.0
420.44434	0.6
439.24762	1.2
444.19360	0.6
445.31332	0.8
461.30423	0.8
463.32089	2.2
470.20798	1.7
471.28790	2.6
481.33871	3.1
488.21994	0.9
489.29944	12.8
490.30017	1.3
499.33920	1.2
507.31030	45.3
508.31296	5.5
525.32111	53.9
526.32397	7.4
543.33142	42.2
544.33398	7.2
561.34149	2.7
701.68420	0.7
716.35370	16.3
717.35699	6.1
717.48993	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	716.437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49792	0.8
53.03957	3.7
55.01879	3.1
55.05512	4.2
57.03441	2.1
65.03957	2.4
67.05515	19.7
68.99802	1.9
69.03448	4.4
69.07070	4.1
69.72739	2.5
71.05009	1.8
73.02977	0.8
79.05499	19.8
81.03425	84.0
81.07057	13.7
82.03760	1.9
83.04993	2.9
83.08634	2.9
85.02906	2.0
91.05483	22.2
91.12862	1.0
93.07050	20.6
95.04973	40.0
95.08614	11.4
97.02905	2.4
97.06552	4.2
97.10200	1.5
99.04491	1.0
101.46239	0.9
103.05459	6.1
105.03391	0.9
105.04555	1.8
105.05484	0.9
105.07044	12.2
107.04964	13.1
107.08589	6.4
109.02895	1.3
109.06520	2.0
109.10191	4.0
111.04434	2.5
111.08116	2.8
115.05471	3.3
117.07029	6.3
119.04937	1.8
119.08598	8.1
121.02883	5.9
121.06514	100.0
121.10139	8.5
122.03673	1.2
122.06873	2.8
123.04420	8.1
123.08079	1.7
123.11696	1.1
125.02382	2.2
125.06043	1.1
127.03925	3.1
128.06262	1.5
129.07025	6.6
131.04932	2.9
131.08577	15.2
133.06511	7.8
133.10126	6.3
135.04430	2.9
135.08095	3.6
135.11720	3.5
137.05991	24.5
137.09677	1.3
138.09149	17.0
139.03925	18.3
141.05467	1.7
141.07030	2.5
143.08583	3.8
145.06517	2.7
145.10149	7.3
147.04428	1.7
147.08055	6.1
147.11745	4.2
149.06020	2.4
149.09659	3.7
151.03912	9.1
151.07584	2.3
153.01863	2.9
153.05467	3.2
154.02171	1.0
155.08549	2.8
157.06526	2.8
157.10181	3.1
159.08043	1.3
159.11745	4.7
160.05209	1.2
161.06032	1.7
161.09695	1.7
161.13310	1.7
163.03926	2.1
163.07599	3.4
165.05469	12.1
167.03487	2.4
167.07184	1.0
167.08534	2.0
168.52890	0.9
169.10132	1.4
171.08069	2.0
171.11687	2.5
173.06046	2.0
173.09683	3.2
173.13380	0.9
175.03935	5.5
175.07594	6.7
175.11169	1.2
177.05486	5.6
177.09111	2.2
179.07062	2.6
179.08524	1.4
181.10159	0.9
185.13240	1.2
187.07651	3.2
189.05492	2.5
189.09131	1.3
191.07011	9.7
191.10628	1.2
193.05025	2.3
195.90195	0.9
199.07565	2.3
201.05577	1.8
203.07028	2.2
205.08630	2.8
207.06491	1.1
215.07018	1.1
215.10678	2.2
217.08615	2.0
219.06615	3.1
227.07117	1.8
229.08691	1.4
229.12032	1.1
235.09518	1.2
239.38046	1.1
241.08646	1.2
253.08649	1.5
269.11676	1.6
271.09796	1.0
275.20157	1.0
359.67041	0.9
379.22324	1.1
397.23376	1.1
411.25101	1.1
463.31958	3.7
471.28952	3.4
481.33099	4.2
489.30011	20.5
490.30209	3.0
499.30695	1.9
507.31055	64.9
508.31601	9.1
525.32141	84.6
526.32404	11.7
543.33179	48.9
544.33514	5.7
561.34186	4.1
716.35089	11.4
717.36145	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	716.486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09705	0.1
54.30321	0.1
54.87228	0.1
55.05504	0.2
56.05040	0.8
58.06628	0.5
60.08168	5.6
67.05502	0.7
69.07069	0.3
69.55178	0.7
71.07381	3.4
79.05499	0.4
81.07061	0.7
83.08623	0.3
86.09710	30.7
87.10035	0.7
89.06013	0.4
91.05485	0.3
91.92719	0.2
93.07055	0.4
95.08616	0.7
98.98466	3.4
104.10751	2.0
105.07050	0.3
107.08620	0.3
107.47236	0.2
109.10174	0.3
116.99555	0.2
121.10152	0.2
125.00009	22.4
126.00368	0.2
133.08592	0.2
133.10176	0.2
143.01088	0.3
167.43474	0.2
184.07350	100.0
185.07741	1.6
185.88625	0.2
264.26935	0.2
372.98517	0.2
519.39978	0.2
544.36481	0.2
545.37933	0.4
575.49683	0.4
601.51556	0.2
627.03644	0.2
716.48450	4.1
717.48224	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	716.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
56.05040	0.9
57.07047	0.2
58.06627	0.5
60.08169	6.4
64.11645	0.2
67.05511	0.6
69.03164	1.2
69.07085	0.2
71.07380	3.3
73.98819	0.2
77.92228	0.2
78.02180	0.2
79.05494	0.3
81.07056	0.8
83.04976	0.2
83.08621	0.3
86.09710	31.2
87.10034	0.5
91.05513	0.2
93.07030	0.5
95.08615	0.4
95.90511	0.1
98.98466	4.1
104.10749	2.4
105.07045	0.2
107.08599	0.3
109.10168	0.3
119.08590	0.2
125.00012	21.9
126.00314	0.2
133.08640	0.3
143.01091	0.4
147.08063	0.2
163.11166	0.4
166.02617	0.1
170.32527	0.2
184.07353	100.0
185.07701	1.7
195.00322	0.2
329.27203	0.2
414.34293	0.2
478.98892	0.2
575.49896	0.5
716.48627	4.5
717.49298	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	716.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27768	3.4
53.03949	7.4
55.05508	15.7
57.03443	8.9
57.07076	35.3
67.05507	45.7
69.07059	12.2
71.08653	19.1
73.29807	4.2
77.16311	3.6
79.05504	39.9
81.07061	34.0
83.04994	5.2
83.08611	9.6
85.10190	14.1
86.09723	7.2
89.06052	8.0
91.05482	38.5
91.30454	5.0
93.07052	37.7
95.04968	10.6
95.08611	22.8
97.10175	6.1
98.22556	8.7
103.70216	4.4
105.07053	28.2
107.08588	12.9
109.06525	6.8
109.10129	8.3
119.08597	15.7
123.11697	4.7
129.07018	11.5
133.10141	10.1
143.08557	5.5
145.10133	9.9
147.11662	19.4
170.41806	3.8
171.11670	12.3
184.07370	26.7
189.12823	7.3
207.13785	17.6
229.50085	4.6
240.40720	4.6
281.17548	55.5
283.33917	5.1
313.27408	50.8
394.90558	4.5
489.43552	4.5
519.40436	100.0
520.40594	11.7
575.50549	19.2
601.51953	9.8
627.18896	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	716.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.8
57.07079	31.8
60.08157	2.2
67.05501	4.4
69.07069	6.3
70.07359	1.0
71.08633	27.5
73.02896	1.5
73.06557	7.9
79.05505	2.8
81.07059	5.1
83.08637	6.0
84.37838	1.2
85.10189	16.3
86.09707	8.4
87.04471	10.0
89.06036	100.0
90.06351	1.3
91.05515	1.2
93.07051	1.3
95.08617	4.6
95.56757	0.9
97.10177	4.1
99.11732	1.8
105.06976	1.4
105.38404	0.9
107.07079	3.6
107.08610	1.6
109.10132	1.7
111.11744	3.2
113.13284	2.6
114.02121	1.0
117.09111	7.1
119.35326	1.0
123.23071	1.0
125.00014	5.9
127.14829	1.4
130.08629	2.0
130.35146	1.0
130.36101	1.0
131.07068	3.3
133.08612	45.9
134.08975	1.3
135.11630	1.2
161.11665	1.0
175.09671	1.4
177.11226	18.7
184.07353	24.3
197.22533	1.2
208.63780	0.9
221.13855	3.3
239.14966	1.7
241.25276	2.3
241.79811	1.1
248.31683	1.2
256.16245	1.6
265.16525	1.4
285.27927	6.5
313.27332	1.8
329.30505	2.9
338.28088	1.0
519.39435	1.5
544.36853	1.5
575.50153	2.8
699.51910	2.2
716.47211	1.9
717.40955	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	717.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03939	0.3
55.01865	0.9
56.34222	0.3
62.63953	0.2
65.03935	1.2
67.01851	0.3
67.05502	0.9
68.99787	2.4
69.03418	0.8
69.13868	1.6
73.58303	0.2
79.01867	1.7
81.03411	0.3
83.04980	0.9
85.02891	0.3
91.05473	0.7
93.03389	1.3
93.07066	0.3
95.04987	1.3
97.02888	1.1
103.05486	0.5
107.01350	0.5
107.04967	1.0
111.04451	4.8
119.04942	0.4
121.06518	1.5
123.04432	4.0
125.02369	0.9
125.06010	0.3
127.03917	3.4
129.06981	0.3
131.04901	0.5
133.02798	0.4
133.06456	0.3
135.04420	1.1
137.05977	2.0
138.09059	0.3
139.03906	100.0
140.04231	2.7
141.06937	0.4
143.03397	2.6
145.02864	0.4
145.06534	0.5
147.04448	0.7
151.03911	15.3
152.04237	0.6
153.01836	34.0
153.02922	2.2
153.05463	1.8
153.06822	0.6
154.02097	1.3
157.06583	0.3
158.31522	0.3
159.04420	0.3
159.08038	0.3
160.05174	0.3
161.06015	0.3
163.03915	14.2
163.07576	0.6
164.04324	0.4
167.03392	0.4
167.07043	0.9
169.06506	0.9
173.06006	0.3
175.03935	0.4
175.07603	0.7
176.04510	0.2
177.05449	1.4
179.04921	0.3
181.04988	6.4
181.06502	0.6
183.04413	0.7
185.05978	1.2
187.07468	0.6
189.05428	0.8
189.06943	0.3
191.06992	1.7
195.08257	0.4
197.05971	1.6
199.03882	0.4
199.07565	0.7
201.05370	1.5
203.07013	0.7
205.04736	0.3
209.05986	0.9
209.08102	0.9
210.06900	0.4
211.03954	0.4
213.05388	1.7
215.03471	0.3
215.07065	1.0
217.04997	0.8
222.06487	0.3
225.05528	1.9
227.07069	0.8
229.04991	4.5
230.05557	0.4
231.06421	1.3
237.05444	1.3
241.04984	1.5
242.05785	0.4
243.06528	1.8
245.04474	0.4
247.05844	0.4
253.04945	1.4
255.06512	1.5
259.05948	1.7
261.93988	0.4
263.07037	0.5
264.07794	0.3
265.05051	1.3
265.08569	0.3
266.05502	0.4
267.06378	0.3
269.04214	0.3
271.05988	5.2
272.06464	0.4
277.07053	4.1
277.79181	0.3
279.06604	0.3
281.08151	0.3
283.06036	1.9
284.06339	0.3
289.07126	1.0
291.06732	0.4
293.07849	0.3
293.98892	0.3
298.04202	0.3
301.07135	0.7
303.06613	0.3
305.08221	0.3
307.06104	0.3
317.08435	0.3
319.05936	0.3
323.09091	0.4
333.06052	9.9
334.06342	0.5
337.06992	0.5
345.07526	0.6
349.07037	0.6
353.10214	0.5
355.11847	0.4
365.06537	0.7
367.08179	2.9
373.07162	0.3
375.08298	0.3
379.08368	1.0
391.08099	2.8
397.09338	0.7
403.08130	0.9
409.09265	3.3
410.09824	0.3
421.09259	0.5
427.10251	0.6
428.11011	0.3
439.10132	0.6
441.02271	0.2
441.08124	4.6
442.08234	0.4
506.17630	0.3
529.11273	0.4
537.13800	0.7
547.12567	0.4
555.14795	5.2
556.15063	0.6
560.03412	0.4
561.10278	0.6
565.13361	0.7
579.11230	7.3
580.11639	1.0
717.19916	13.0
717.46240	1.2
718.20728	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	717.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91627	0.3
51.02385	0.5
53.03948	0.7
55.01868	1.6
61.14909	0.4
64.12716	0.3
65.03939	1.7
67.05496	1.1
68.99788	1.9
69.02348	3.0
69.03419	1.2
75.25475	0.3
79.01846	1.7
79.05473	1.0
81.03424	1.1
83.04990	1.0
85.02913	0.4
91.05479	1.2
93.03410	1.3
93.07050	0.8
95.04974	1.7
97.02895	1.0
103.05436	0.8
107.04957	1.0
109.02871	0.6
111.00784	0.4
111.04449	5.2
115.05411	0.5
117.07082	0.4
118.67686	0.4
119.04956	0.6
121.02892	0.4
121.05694	0.6
121.06499	3.3
123.04426	4.0
125.02372	1.0
125.05991	0.7
127.03940	3.8
129.07039	0.4
131.04930	0.9
132.64331	0.4
133.02867	0.6
134.56451	0.3
135.04443	1.4
137.05959	2.8
138.60982	0.4
139.03908	100.0
140.04237	3.0
141.07005	0.4
143.03389	2.4
145.02863	0.6
147.04413	0.7
149.05962	0.7
151.03917	21.5
151.07526	0.7
152.04274	0.7
153.01839	41.1
153.02911	2.3
153.05402	2.1
154.02213	1.1
157.06551	0.6
160.05229	0.4
161.05991	0.6
163.03914	13.2
164.07201	0.4
165.05551	0.7
167.07077	3.3
169.06543	1.1
173.05942	0.7
175.03999	0.5
175.07552	0.9
177.05496	1.6
179.03348	0.4
181.04990	6.1
181.06473	0.9
182.05341	0.5
183.04395	0.6
185.05971	0.6
187.04103	0.5
187.07564	0.7
189.05530	0.5
191.07080	0.9
193.05000	0.7
193.08345	0.4
197.05969	1.8
199.03908	0.6
199.07539	0.4
201.05443	1.1
203.06984	0.7
209.06058	1.0
213.05534	2.2
215.06941	0.8
217.05058	0.6
221.06033	0.6
225.05505	1.4
227.07082	1.3
229.04988	4.8
230.05623	0.4
231.06491	1.2
235.03851	0.4
235.07545	0.7
237.05501	1.2
240.07664	0.7
241.04965	1.3
243.06415	2.0
253.05005	1.8
255.06500	1.8
259.05951	1.9
263.06970	0.5
265.04984	0.5
267.10342	0.5
271.05951	5.6
277.07053	7.1
283.06079	2.3
289.07135	1.3
293.07953	0.6
295.09631	0.6
297.10968	0.6
300.09842	0.5
301.07394	0.5
307.09576	0.6
309.35779	0.4
313.10709	0.7
317.07843	0.4
323.08829	0.4
327.12302	0.9
333.06039	9.5
334.06375	0.7
337.07147	0.6
339.12289	0.8
345.07751	0.5
359.14856	2.8
363.08716	0.9
367.08014	3.3
367.11786	0.5
368.12335	0.5
371.14822	0.6
373.07108	0.6
379.08191	1.1
391.08240	2.0
397.09250	0.7
403.08047	1.5
404.07913	0.4
409.09152	4.6
421.09409	0.6
427.10361	0.7
439.10065	0.9
441.08246	4.5
521.19995	0.4
548.20575	0.4
561.09552	0.8
579.11444	10.2
580.11609	1.3
687.64496	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	717.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.6
70.09202	1.0
70.09555	0.7
74.05406	0.4
81.07069	0.6
93.07067	0.4
95.08633	0.4
98.97575	0.6
125.00047	0.4
151.13377	0.4
158.99686	0.6
281.27841	0.4
308.18362	0.4
319.19333	0.4
321.05139	1.0
340.51520	0.4
384.70074	0.4
433.46246	0.4
605.20703	0.4
717.34546	100.0
718.34845	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	717.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81472	0.3
53.03935	0.7
55.01876	0.6
55.05511	1.7
57.03437	1.9
57.07081	0.5
61.02925	4.7
64.85704	0.3
67.05511	4.2
69.03438	3.1
69.07069	1.3
69.57938	1.6
71.04993	0.6
73.02914	2.7
79.05502	3.6
81.03418	1.5
81.07061	2.9
81.62853	0.3
83.05002	0.5
83.08621	0.7
85.02908	4.2
85.06559	0.4
86.09709	0.4
86.88714	0.4
89.95401	0.3
91.03963	2.2
91.05475	1.5
93.07050	3.8
95.04966	0.8
95.08611	2.2
97.02898	3.4
97.06554	1.1
97.10177	0.6
99.04449	0.8
101.02396	1.4
105.07007	0.6
107.08624	2.4
109.02920	0.9
109.10191	0.9
117.07062	0.5
119.08575	0.7
121.10172	1.4
127.03973	1.1
131.08566	0.6
133.10210	0.5
135.11703	3.3
145.10150	0.8
147.11749	0.4
163.11218	0.4
167.50450	0.3
180.64102	0.3
181.12236	0.4
184.07286	1.5
185.04230	0.7
221.11583	0.9
243.08395	1.9
255.16046	0.4
283.15399	0.4
284.16171	0.5
311.25403	0.3
312.26184	0.4
334.28845	0.4
335.26187	0.4
424.61810	0.3
439.19366	7.7
440.19778	0.6
461.70825	0.3
519.29297	4.6
520.29797	0.6
536.31097	0.4
624.58160	0.4
717.41791	100.0
718.42133	13.9
718.54944	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	717.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80140	1.5
53.03952	10.9
55.01881	26.1
55.05515	24.8
57.03439	7.8
57.96045	1.6
60.59748	1.5
61.02946	2.6
62.45003	1.5
65.03942	3.7
67.05507	60.3
69.03426	13.8
69.07070	33.4
69.47015	1.6
69.47295	8.6
71.05013	5.1
75.82793	1.6
77.03926	1.9
79.05497	69.3
81.03419	40.2
81.07060	76.7
83.04979	14.8
83.08617	8.7
85.02914	11.0
85.06538	6.1
85.12457	1.9
86.09737	6.2
91.05482	86.8
92.05827	1.9
93.07048	56.9
95.01324	9.4
95.04976	23.0
95.08613	44.0
96.08958	2.1
97.02904	5.2
97.06534	37.6
97.10182	5.1
99.04460	4.2
99.08053	2.5
103.05490	5.4
105.04514	2.4
105.07036	100.0
106.07399	2.0
107.04963	27.4
107.08608	26.3
109.02861	3.9
109.06557	9.3
109.10153	11.9
111.04471	3.7
111.08093	5.3
113.09682	2.4
115.05485	5.3
116.45868	1.5
117.07027	28.3
119.04930	3.3
119.08584	53.8
121.06487	9.6
121.10141	12.6
123.04442	4.1
123.08060	8.5
125.09631	2.2
127.03873	4.1
128.06252	7.6
129.06975	15.6
131.04922	3.7
131.08578	36.1
133.06523	5.2
133.10138	49.4
134.10439	2.3
135.08069	5.3
135.11734	10.7
137.09665	4.0
141.07022	7.4
143.08577	13.6
145.06520	6.5
145.10123	25.5
147.08069	5.1
147.11703	26.4
149.09613	9.2
149.13281	5.9
155.08595	5.2
157.06468	2.5
157.10130	9.2
159.08109	3.8
159.11693	18.1
161.09679	3.5
161.13237	11.2
163.11234	4.9
165.07031	2.2
165.09138	3.8
167.08556	3.7
169.10159	5.3
171.08058	4.1
171.11697	15.1
173.04478	7.6
173.13287	4.5
177.12749	8.7
179.14310	19.3
181.10187	3.6
183.11716	2.9
184.07339	15.8
185.07703	1.6
185.09674	3.5
185.13289	4.5
187.11205	6.0
189.12729	4.1
194.20926	1.6
195.13908	1.6
197.13304	3.9
199.14885	3.6
207.13734	10.3
223.14970	2.1
233.15320	3.1
241.16051	3.2
247.20607	2.4
251.14249	2.0
257.19073	5.6
259.17059	2.9
259.20682	1.9
263.16568	2.4
269.15381	7.6
275.20078	93.3
276.20453	10.1
279.15976	12.1
281.17401	11.4
287.16531	9.0
293.21243	4.4
305.17627	2.3
315.15845	1.9
349.23834	32.0
350.24103	2.7
351.17957	2.8
361.20114	2.2
398.14627	1.8
407.20584	3.4
425.21814	17.6
537.35968	2.8
555.36792	47.1
556.36981	7.6
635.39014	4.4
699.40912	13.6
717.45117	27.4
718.44604	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	717.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48354	0.4
55.01873	0.6
55.05504	0.9
57.07065	0.3
67.05505	1.9
69.07076	1.6
69.22379	2.6
70.81075	0.3
71.04993	0.3
73.02950	0.4
79.05514	1.4
81.03413	0.5
81.07044	2.2
83.05013	0.6
83.08627	0.5
84.58067	0.3
86.09731	1.2
91.05495	0.7
93.07063	1.0
95.05002	1.1
95.08638	1.2
97.10183	1.0
99.94144	0.3
105.07043	0.8
107.08612	1.3
109.10190	1.5
111.04450	0.5
119.08591	0.9
120.29311	0.3
121.10177	0.7
123.08100	0.5
125.00037	0.8
125.09668	0.8
131.08614	0.4
133.10162	0.7
135.11816	0.4
147.80727	0.3
159.32864	0.3
184.07379	4.0
185.07729	0.6
213.04170	0.3
273.09277	0.4
277.21671	0.6
333.20465	0.8
335.21918	3.5
349.19897	4.8
391.24731	2.3
405.22614	3.7
407.24408	0.6
435.32059	0.4
463.27103	0.4
616.47284	0.4
717.45459	100.0
718.45874	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	717.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74240	0.2
53.03951	0.3
55.01871	0.5
55.05511	1.2
56.63050	0.2
57.07082	0.3
60.08156	0.6
67.05511	2.6
69.04997	2.3
69.07072	1.0
69.83736	0.3
71.08636	1.0
71.14209	0.3
79.05486	1.3
81.07059	3.4
83.04981	0.6
83.08647	0.7
86.09710	2.2
91.05475	1.7
91.54842	0.2
93.07043	1.6
95.04986	0.6
95.08620	1.4
97.06524	0.4
97.10181	0.5
99.08128	0.6
100.73633	0.3
105.07049	0.7
107.08626	1.0
109.10186	0.8
110.98444	0.3
111.04427	0.5
111.08099	0.6
119.08585	1.0
121.10109	0.5
123.08068	0.4
125.00059	1.1
125.09629	0.8
131.08618	0.4
133.10144	0.6
135.08145	0.3
135.11725	0.4
147.11752	0.6
163.11226	0.5
184.07358	5.1
185.07928	0.3
196.50136	0.4
205.12296	0.3
215.00476	0.3
333.20340	4.2
333.23932	0.4
335.21924	2.2
345.51056	0.3
349.19836	2.5
351.21414	1.8
373.71527	0.3
389.22757	1.7
391.24615	1.7
405.22519	1.1
407.24234	2.3
519.80640	0.3
717.45477	100.0
718.45886	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	717.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42406	0.5
53.19499	0.4
54.18118	0.4
55.01885	0.6
55.05506	1.8
57.03444	0.6
57.52554	0.4
67.05507	1.7
69.07068	1.2
69.58273	1.2
71.63214	0.4
79.05508	2.1
81.07061	1.8
83.04984	0.6
83.08633	1.0
84.17787	0.4
85.78948	0.5
86.09721	1.6
91.05489	0.8
93.07059	1.9
95.04997	1.4
95.08608	1.0
97.10169	0.9
98.22624	0.9
99.08092	0.7
107.08609	1.3
109.10152	0.8
111.04433	0.5
121.10143	1.0
125.00040	1.3
131.08659	0.5
132.48409	0.5
135.11777	0.7
145.10150	0.5
163.11172	1.0
184.07358	4.2
184.27223	0.5
185.07610	0.5
333.20273	4.3
344.65170	0.5
351.21448	4.7
389.22961	2.8
407.24103	4.6
636.83771	0.6
717.45428	100.0
718.45740	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01879	3.8
65.03955	2.6
65.29099	2.0
69.18734	13.7
74.41936	1.8
79.05497	3.4
81.03457	2.0
81.07108	2.3
85.02901	2.6
91.05489	10.2
93.07060	4.0
94.04166	2.7
95.04998	4.6
98.23419	3.8
103.05463	18.0
105.06982	1.9
109.06533	2.5
113.76007	2.4
115.05486	6.7
117.07034	2.7
119.04946	4.2
120.00559	2.2
121.06526	26.1
122.03686	8.2
123.04394	2.9
125.06008	2.5
125.28139	1.9
129.06998	2.5
131.04941	21.0
133.02867	29.4
133.06532	4.2
136.07570	3.5
137.05988	100.0
137.09657	2.8
138.06354	2.9
143.04962	4.2
144.05670	2.7
145.06514	4.2
145.12648	1.8
147.04422	5.3
148.05206	4.9
149.06024	6.8
151.03922	41.6
151.05022	3.3
151.07509	3.5
153.05508	1.9
160.05246	6.3
161.05989	3.3
161.52280	2.0
163.07562	15.1
164.07085	12.4
165.05508	8.1
167.07042	15.3
173.06029	4.2
175.07549	19.8
177.05510	5.4
177.09079	2.1
181.05000	19.1
183.06419	2.4
187.07587	8.9
188.08061	2.1
189.05606	2.5
189.09201	4.9
190.06316	3.1
191.07050	55.6
201.09221	5.0
203.07043	13.9
205.08669	4.7
209.08115	2.6
217.08583	2.8
233.08176	3.7
235.07545	4.3
235.09698	3.6
241.83963	2.0
249.09076	3.8
257.36606	2.2
263.06851	4.9
263.09219	11.7
265.08527	3.3
277.08652	2.8
295.09628	4.1
299.09290	2.9
307.09766	4.3
327.12314	4.8
337.10706	3.4
339.12314	4.9
351.12186	3.7
353.13855	6.2
355.11649	12.7
357.13327	5.6
359.14920	2.5
365.13837	6.5
369.13406	12.4
387.14380	56.5
388.14777	5.0
413.15952	2.5
651.28613	2.9
718.36438	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	718.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01879	3.8
65.03955	2.6
65.29099	2.0
69.18734	13.7
74.41936	1.8
79.05497	3.4
81.03457	2.0
81.07108	2.3
85.02901	2.6
91.05489	10.2
93.07060	4.0
94.04166	2.7
95.04998	4.6
98.23419	3.8
103.05463	18.0
105.06982	1.9
109.06533	2.5
113.76007	2.4
115.05486	6.7
117.07034	2.7
119.04946	4.2
120.00559	2.2
121.06526	26.1
122.03686	8.2
123.04394	2.9
125.06008	2.5
125.28139	1.9
129.06998	2.5
131.04941	21.0
133.02867	29.4
133.06532	4.2
136.07570	3.5
137.05988	100.0
137.09657	2.8
138.06354	2.9
143.04962	4.2
144.05670	2.7
145.06514	4.2
145.12648	1.8
147.04422	5.3
148.05206	4.9
149.06024	6.8
151.03922	41.6
151.05022	3.3
151.07509	3.5
153.05508	1.9
160.05246	6.3
161.05989	3.3
161.52280	2.0
163.07562	15.1
164.07085	12.4
165.05508	8.1
167.07042	15.3
173.06029	4.2
175.07549	19.8
177.05510	5.4
177.09079	2.1
181.05000	19.1
183.06419	2.4
187.07587	8.9
188.08061	2.1
189.05606	2.5
189.09201	4.9
190.06316	3.1
191.07050	55.6
201.09221	5.0
203.07043	13.9
205.08669	4.7
209.08115	2.6
217.08583	2.8
233.08176	3.7
235.07545	4.3
235.09698	3.6
241.83963	2.0
249.09076	3.8
257.36606	2.2
263.06851	4.9
263.09219	11.7
265.08527	3.3
277.08652	2.8
295.09628	4.1
299.09290	2.9
307.09766	4.3
327.12314	4.8
337.10706	3.4
339.12314	4.9
351.12186	3.7
353.13855	6.2
355.11649	12.7
357.13327	5.6
359.14920	2.5
365.13837	6.5
369.13406	12.4
387.14380	56.5
388.14777	5.0
413.15952	2.5
651.28613	2.9
718.36438	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	718.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59970	4.2
65.03940	25.7
67.05504	7.5
69.49423	20.6
81.03433	14.2
82.04200	4.2
91.05482	20.9
93.03408	13.1
93.07043	10.1
95.04978	5.6
98.08226	6.0
98.22598	9.0
103.05485	16.9
107.04955	12.5
110.03661	25.0
111.04463	37.9
117.03337	6.0
119.04910	13.1
120.05742	41.1
121.02901	9.5
121.06513	43.5
123.04463	7.1
125.06010	35.5
131.04935	10.0
133.02856	9.2
136.07564	5.8
137.06023	23.9
145.02847	7.3
145.06453	5.0
147.04422	7.3
151.03871	7.7
153.05475	100.0
160.05225	5.5
161.06001	5.9
165.05527	5.1
165.09073	5.5
167.07062	44.4
175.07544	11.0
177.05482	17.9
181.04997	7.0
181.08398	5.0
189.05531	5.6
191.07065	10.6
201.05522	18.7
205.06583	5.4
213.05447	7.0
219.08229	5.8
221.06003	6.0
222.06703	13.5
237.09222	11.8
247.07704	5.6
249.05429	5.3
250.06389	8.6
251.07135	7.2
263.07083	5.4
264.07886	6.3
265.08627	20.8
278.05646	8.3
279.06357	4.7
280.07202	6.8
292.07361	5.5
293.08145	22.8
310.10919	6.2
321.07529	15.3
323.09085	11.9
325.10669	19.9
335.09570	5.3
337.10638	7.4
338.10440	4.8
339.12231	6.8
353.10153	26.0
355.11850	8.9
357.13309	16.5
365.10297	7.3
367.11774	21.5
380.15002	12.4
385.12769	15.5
439.44183	4.8
458.15985	53.6
459.16452	6.3
490.18701	84.7
491.19031	9.1
502.18362	18.3
520.19690	7.7
522.21625	5.2
718.36481	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	718.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
65.03952	23.6
65.06134	3.5
71.30679	5.4
74.39344	4.6
79.05473	5.8
81.03419	5.5
81.07069	4.3
81.20026	3.3
82.04196	5.2
84.21820	3.9
87.76894	3.5
89.74377	3.8
91.05465	19.5
93.03402	16.6
93.07061	10.2
95.04984	5.1
97.02916	4.0
103.05469	10.8
105.07002	5.8
107.04944	6.5
108.20704	3.7
110.03667	15.7
111.04459	28.4
119.04939	12.7
120.05769	24.6
121.02898	6.0
121.06506	44.3
123.04456	38.8
125.05982	25.6
131.04951	12.1
133.02864	6.9
135.04369	5.4
137.05983	16.7
139.03914	40.2
145.06462	5.9
147.04381	12.0
149.06010	7.7
151.03918	20.5
153.05479	100.0
154.05804	4.2
161.05986	5.8
163.03923	5.1
163.07558	7.4
165.05420	3.7
167.07054	54.5
173.06000	4.4
174.49030	3.8
175.03888	4.3
175.07516	7.4
177.05495	19.4
179.03455	10.9
181.04980	6.8
191.07062	21.3
191.08563	4.1
201.05429	17.5
205.06503	7.0
207.08121	4.3
209.08107	14.2
219.08211	4.4
222.06757	9.0
223.07648	5.3
234.06673	6.2
235.07484	8.3
237.09035	7.7
249.05475	4.5
249.09123	4.0
250.06252	11.1
251.07033	9.3
263.07010	9.6
265.08582	16.9
265.73749	3.9
273.07571	10.9
278.05725	8.5
279.06351	5.4
280.07300	5.1
281.08047	3.9
291.06412	5.4
293.07959	30.5
294.08481	6.9
295.08997	5.1
321.07614	10.3
322.08365	8.5
323.09061	8.5
325.10663	12.7
335.09030	12.4
338.10394	7.3
339.12195	4.6
349.74487	3.9
353.10156	27.9
354.10458	6.2
355.11612	6.4
365.10275	6.6
367.11880	20.2
380.14835	11.9
385.12796	12.8
390.32065	3.9
401.12601	5.9
458.16037	37.3
459.15771	6.1
490.18640	83.8
491.18784	12.2
502.18570	24.2
520.19720	5.7
522.20709	4.6
718.36877	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01887	3.3
55.05518	15.1
57.03444	12.8
57.07083	1.2
59.05004	4.1
61.02931	3.9
61.26690	0.9
62.75787	1.0
65.03947	2.7
67.05509	100.0
68.05849	1.4
69.03429	2.7
69.07072	15.3
69.14268	7.2
71.04996	4.7
73.02933	1.1
79.05498	20.3
81.03426	3.8
81.07060	65.4
83.05006	5.2
83.08621	12.0
85.02928	2.3
85.06541	4.1
91.03954	1.1
91.05481	21.3
93.07047	18.6
95.04955	6.5
95.08611	15.3
97.02888	2.6
97.06522	5.2
97.10179	1.6
105.07049	17.8
107.04955	5.0
107.08607	13.8
109.06522	16.0
109.10162	78.7
110.10519	1.8
111.08077	5.9
117.07030	4.3
119.08582	20.6
121.06510	3.8
121.10130	8.2
123.08070	3.9
123.11708	3.1
125.09634	2.2
126.77871	1.0
129.07019	2.2
131.08592	7.1
133.10136	10.9
135.08076	3.2
135.11697	4.2
137.09618	4.6
143.08542	1.6
145.10127	8.1
147.08029	1.2
147.11700	10.0
149.02298	2.3
149.09637	4.3
149.13280	5.8
151.11107	1.0
155.10675	7.0
157.10135	2.9
157.22554	0.9
159.11711	5.3
159.12822	1.0
161.09613	1.7
161.13278	2.7
161.95300	1.0
163.11176	4.8
163.15099	0.9
165.12779	3.2
169.10161	1.4
171.11638	0.9
173.11774	21.4
173.13245	2.6
175.11189	1.5
177.12801	1.1
179.14249	1.3
183.11734	1.1
193.04968	1.1
193.12538	0.9
197.13287	1.2
201.12791	1.1
211.13388	1.8
227.12833	1.8
229.14357	94.8
229.19347	2.7
230.14679	3.6
239.17943	1.1
247.20692	1.5
257.19000	3.6
267.15948	2.3
275.20074	38.2
276.20486	2.9
293.21082	8.8
349.23761	23.0
367.24796	16.0
368.25049	1.3
439.26746	1.4
473.14502	2.1
485.32684	1.5
503.33722	74.0
504.33929	7.9
521.34729	44.4
521.42548	1.9
522.35132	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	718.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	1.1
55.05519	9.4
57.03444	7.5
57.07082	20.1
57.40356	1.2
61.02942	1.4
61.22630	1.1
67.05511	14.9
69.07079	9.2
69.49526	4.2
71.05000	1.6
71.08636	18.7
73.27011	1.0
79.05492	11.9
81.03429	2.9
81.07054	16.8
83.08622	11.6
84.09068	1.0
85.02874	1.2
85.06551	1.5
85.10189	10.4
86.09721	1.7
86.56647	1.1
89.06040	1.7
91.05495	3.5
93.07049	16.2
95.04968	4.0
95.08610	33.3
96.08956	1.3
97.02892	2.9
97.06530	1.2
97.10178	3.8
98.22679	1.4
99.04461	2.2
105.07059	4.1
107.04978	3.6
107.08601	12.4
109.06526	1.2
109.10168	7.0
117.07023	4.4
119.08583	5.7
121.06535	2.9
121.10132	5.3
123.11766	2.5
133.10257	1.7
135.11697	25.2
136.11983	1.4
139.69328	0.9
145.10129	16.8
163.11192	30.2
163.12508	2.0
164.11548	1.3
177.75954	1.2
178.57472	1.1
181.12282	3.7
183.97426	1.1
184.07353	5.4
227.12782	36.6
228.13142	2.3
239.23682	2.0
243.08202	1.3
257.24774	2.1
260.22614	1.2
283.15408	41.0
284.15778	3.3
313.27362	100.0
314.27634	9.4
374.79504	1.3
521.38391	84.0
522.38763	13.7
718.42310	3.7
719.43152	10.7
749.65179	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	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01875	3.4
55.05519	10.5
57.03439	10.9
57.06794	1.6
57.07079	33.3
61.02937	1.9
65.03939	1.0
67.05509	19.6
69.03449	1.9
69.07067	11.0
69.18140	3.9
69.18542	1.5
70.51276	0.8
71.05002	2.0
71.08238	1.5
71.08632	25.7
71.09010	1.7
73.02926	1.7
79.05498	20.3
79.05969	1.1
81.03410	3.1
81.07061	27.5
82.07427	0.8
83.04542	0.7
83.04992	3.4
83.08625	15.2
84.08944	1.0
85.02905	1.3
85.06539	1.1
85.10185	14.4
86.09716	1.2
89.06059	1.3
91.05491	6.7
93.07047	32.6
93.07635	1.6
94.07391	1.2
95.04984	5.8
95.08609	45.6
97.02897	5.1
97.06545	3.2
97.10172	4.2
99.04458	4.1
99.11754	1.1
101.16272	0.9
103.05482	1.0
103.07560	1.1
105.07037	6.2
107.04951	7.0
107.08596	26.2
107.09292	1.6
108.11198	0.8
109.06531	1.9
109.10162	9.7
111.04456	1.3
111.11767	0.9
113.06010	0.8
117.07020	8.4
119.08578	7.9
121.06519	5.4
121.10143	12.8
123.11729	2.8
125.05971	3.7
130.07803	1.7
133.10152	2.8
135.08076	2.3
135.11696	46.9
135.56049	0.9
136.12050	1.5
139.07536	1.2
143.08582	1.6
145.10123	27.4
146.10577	0.7
149.13535	1.0
153.12749	1.0
163.11188	56.2
164.11528	2.9
166.59799	1.0
181.12250	9.1
184.07384	3.1
195.13724	0.8
227.12785	66.9
228.13135	3.5
236.13341	0.8
239.23747	1.6
257.24731	1.9
263.46362	1.0
283.15402	87.3
284.15680	5.0
313.27359	100.0
314.27762	7.7
325.96664	0.9
451.78503	0.8
485.13055	0.8
521.38397	92.1
522.38788	13.5
567.75940	1.0
718.41705	1.5
719.44257	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	718.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
57.07085	30.7
59.05008	1.7
67.05518	2.9
71.08630	20.7
71.09174	1.8
73.02927	1.9
73.06564	6.8
81.07069	1.9
83.08649	2.2
84.42457	1.7
85.10189	19.5
86.09721	3.0
87.04464	13.0
89.06037	100.0
93.07056	2.1
95.30560	1.7
97.10183	3.0
99.11744	2.3
106.17539	1.6
107.07092	2.5
113.13230	2.2
117.09154	7.0
130.08653	1.9
131.07010	2.9
133.08606	48.1
155.17973	3.8
175.09674	1.7
177.11252	18.7
184.07365	6.7
199.20650	4.7
221.13918	3.5
243.23288	7.1
287.25769	3.9
451.27509	1.7
682.27252	2.0
718.42255	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	719.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70749	2.0
74.02453	1.1
74.38411	0.5
85.21884	0.6
86.47366	0.5
89.71519	0.5
91.05479	1.3
94.83142	0.6
115.05447	1.3
117.05767	1.4
117.07015	1.1
118.06543	21.3
118.79440	0.5
126.89075	0.4
130.06525	1.6
132.08066	4.9
142.06548	2.6
143.07298	2.3
144.08089	12.3
146.06007	56.2
147.06335	2.4
153.01857	0.6
159.09163	4.7
160.07544	0.5
170.05981	3.6
188.07063	100.0
189.07362	4.9
192.24084	0.5
205.09726	32.5
206.10083	1.6
412.14859	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	719.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71108	0.4
67.05498	0.7
69.94823	0.9
70.81910	0.5
101.69029	0.4
124.11644	0.4
131.00127	0.5
164.02565	0.4
184.07368	0.8
239.06093	0.4
245.10980	0.4
256.59488	0.5
328.40662	0.5
373.69653	0.5
587.04669	0.5
719.36157	100.0
720.36414	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	719.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.3
55.53800	0.9
57.03428	1.9
58.07276	1.1
61.02922	4.4
67.05511	7.0
69.03442	3.2
69.07065	1.6
69.10580	1.5
69.10989	6.3
73.02928	4.0
79.05502	3.4
81.03439	1.7
81.07056	8.3
85.02913	5.8
86.09715	1.7
88.94061	0.9
91.03977	3.0
91.05498	3.0
93.07070	2.5
95.08630	3.3
97.02895	5.3
99.04508	1.6
101.02413	1.1
105.07062	2.6
107.08607	1.6
109.10171	1.3
119.08597	2.5
120.96648	2.2
121.10175	2.1
123.11739	1.4
127.03944	1.9
131.08545	0.8
132.01979	0.9
138.25516	0.9
147.11765	2.0
184.07372	2.8
243.08469	2.1
374.25140	1.0
405.20981	2.0
406.21243	2.2
441.20901	5.4
491.29123	1.1
492.28650	1.7
519.29181	6.8
599.49536	1.4
621.48444	4.5
719.43518	100.0
720.44019	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	719.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
53.03953	10.0
54.94408	1.7
55.01876	7.6
55.05518	25.6
57.03445	13.5
57.07106	4.4
61.02938	3.7
65.03946	6.0
66.91821	1.7
67.05511	76.1
68.05844	2.7
69.03432	7.0
69.07076	30.3
71.05006	12.1
73.06572	2.3
75.53159	1.7
79.05499	91.3
79.15792	1.8
81.03426	23.4
81.07067	72.7
83.04972	15.0
83.08633	12.1
85.02923	3.5
85.06561	5.4
86.65981	1.9
91.05489	100.0
93.07052	79.7
95.04995	16.5
95.08614	44.7
95.09167	3.3
97.02915	6.8
97.06536	11.1
97.10190	5.1
98.62262	1.8
99.08139	3.6
100.85076	1.9
101.17941	2.0
103.05465	3.6
105.04566	3.2
105.07039	86.1
106.07358	2.0
107.04971	10.6
107.08601	35.8
109.02892	3.9
109.06519	10.6
109.10152	14.3
111.04494	2.5
111.08073	4.7
115.05451	4.0
117.07042	22.0
119.08592	53.0
121.06516	5.9
121.10155	15.3
123.08092	7.9
123.11687	5.0
125.09657	2.4
127.03950	3.0
128.06233	3.8
129.07004	20.4
131.08580	31.9
133.06583	2.0
133.10146	44.3
135.08020	4.4
135.11708	14.3
137.09586	3.0
141.07014	3.8
142.07860	2.9
143.08569	20.1
145.10130	27.1
147.08098	3.3
147.11710	51.7
147.12910	2.7
148.12032	2.5
149.09621	3.9
149.13280	10.4
151.11166	2.2
155.08597	7.5
156.09390	2.2
157.10152	11.4
159.11707	18.9
161.09644	4.8
161.13255	25.9
163.11218	4.6
167.08620	4.1
167.10706	2.3
167.59935	1.6
169.10175	8.7
171.11723	28.9
173.04462	3.7
173.13249	15.9
175.11211	2.0
175.14774	9.7
177.12737	4.5
179.08496	2.2
179.14355	7.7
181.10144	2.9
183.11736	7.4
184.07350	2.9
185.13268	9.3
185.33014	1.8
187.11215	3.9
187.13240	1.9
187.14819	3.6
189.12781	8.3
195.11713	3.6
195.13750	2.6
197.13287	6.7
199.14853	6.0
207.13799	14.6
209.13309	6.1
211.14792	3.5
213.16489	3.8
221.13293	2.3
231.21054	5.5
233.15335	2.0
235.14787	2.2
241.19537	18.8
257.18985	4.6
259.20602	37.1
260.21054	2.7
275.20111	26.8
279.15829	8.8
281.17487	43.4
297.22372	2.1
315.23322	6.6
333.24228	27.5
334.24753	2.1
349.24005	2.8
437.34116	2.9
447.32626	7.3
448.33594	1.9
465.33456	7.9
483.34616	4.6
521.36444	2.5
529.39246	2.7
539.37415	53.6
540.37531	8.4
557.38416	23.1
558.38538	2.3
647.39075	3.8
701.43384	3.7
719.44415	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	719.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	4.6
71.07343	1.5
79.05462	1.9
81.07033	2.7
83.08572	1.1
86.09663	4.1
91.66805	1.0
93.06989	2.8
95.08556	4.2
98.23360	4.0
105.06987	1.1
107.08589	1.2
113.73684	1.2
119.08496	1.1
121.10180	1.4
124.99934	4.3
141.33205	1.2
147.28391	1.1
184.07332	16.4
185.07506	1.3
200.35394	1.2
229.44734	1.3
262.01459	1.3
367.24271	3.7
423.26892	2.5
446.65985	1.4
450.26859	1.5
496.24237	1.3
496.31253	1.6
719.43872	100.0
720.44269	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	719.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.2
57.07060	2.7
65.03899	2.6
67.05183	3.5
67.05509	47.4
68.15764	2.0
69.07082	12.4
79.05495	19.6
80.94859	2.9
81.07058	39.4
83.08624	7.6
91.05483	8.1
93.07047	16.0
95.08606	27.5
97.10168	3.7
98.23396	6.7
104.99282	4.8
105.07043	2.9
107.08595	6.1
109.10148	8.1
115.96852	2.1
118.72619	2.4
119.08596	3.5
120.96641	28.2
121.10174	3.6
122.92230	2.1
126.34791	2.0
131.38072	2.2
133.10159	4.4
135.11710	3.8
177.55896	1.8
235.61505	2.1
276.02911	2.0
439.22159	2.6
599.50342	37.0
600.50177	4.1
614.09955	2.1
621.48486	100.0
622.48560	16.3
719.45367	13.7
720.54553	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	719.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
56.05051	0.5
57.07080	0.5
59.16730	0.4
60.08163	2.3
65.53776	0.4
67.05513	3.0
69.07071	1.0
71.07379	1.6
71.08629	0.8
79.05493	2.3
81.03413	0.5
81.07065	2.3
83.05000	0.7
83.08623	1.0
85.10180	1.2
86.09709	11.2
87.10032	1.3
91.05489	1.4
93.07069	1.3
95.04982	0.9
95.08617	1.6
97.10220	1.1
98.22603	1.3
98.98474	1.5
101.04676	0.4
104.10762	0.5
105.07044	0.9
107.04938	0.6
107.08635	0.9
109.10204	0.7
111.08100	0.5
113.09670	0.8
119.08596	0.7
119.91143	0.4
121.10170	0.6
125.00005	7.3
126.00307	0.7
131.08612	0.6
133.10165	0.9
149.09637	0.6
149.51559	0.4
184.07347	33.4
185.07698	5.8
197.19426	0.4
225.21082	0.4
290.24490	0.4
293.21075	0.6
335.21930	7.2
335.76904	0.5
343.08783	0.4
351.21371	3.3
385.26266	0.5
391.24530	3.9
407.24091	4.2
621.48456	0.8
719.46997	100.0
720.47205	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62931	1.2
52.87046	1.0
53.03903	1.1
55.05515	1.8
57.07067	1.7
63.48191	1.1
67.05506	3.9
69.07079	1.3
69.67536	1.0
71.08632	1.9
71.30799	1.7
79.05507	2.5
81.07063	3.4
83.04984	1.7
85.10175	1.6
89.06019	2.2
91.05503	2.9
93.07080	1.7
95.08658	1.5
107.08630	1.6
109.06552	1.3
109.10207	2.6
111.32445	1.1
125.09642	1.9
125.76815	1.5
133.08630	1.1
133.10101	1.6
148.28729	1.1
168.32399	1.1
184.07489	2.3
205.71739	1.1
237.19197	1.2
267.88663	1.2
335.22031	4.5
351.21521	4.9
391.24524	2.7
407.24246	5.0
599.50641	1.6
621.48547	3.3
719.47034	100.0
720.47284	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	719.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33915	0.3
55.01858	0.3
55.05511	2.0
59.45963	0.3
60.08162	1.0
67.05508	2.0
69.07066	0.9
71.07375	0.4
71.08627	1.3
77.65697	0.3
79.05493	1.4
81.03416	0.4
81.07055	2.5
83.04986	0.6
83.08619	1.2
86.09713	3.2
88.95562	0.4
91.05488	1.1
93.07040	1.7
95.04977	0.6
95.08614	1.3
97.10190	1.0
97.77937	0.3
98.22659	1.1
98.98460	0.6
99.08121	0.8
105.07013	0.7
107.08618	0.8
109.10146	0.4
111.04423	0.4
111.08055	0.5
119.08606	0.8
121.10144	0.8
125.00029	2.0
125.09680	0.4
133.10178	0.8
135.11661	0.5
145.10219	0.5
149.13246	0.5
157.37256	0.4
163.11308	0.5
184.07338	9.9
184.08920	0.6
185.07750	1.3
227.19707	0.3
272.85461	0.4
293.21326	0.3
335.21881	7.4
336.22272	0.5
351.21381	3.8
352.21805	0.5
391.24484	2.2
407.24051	4.9
457.24298	0.4
719.47003	100.0
720.47375	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01846	1.8
55.05503	6.4
57.03434	6.1
65.03931	2.4
67.05506	23.1
69.03426	1.9
69.07072	4.8
69.66195	5.7
71.04987	2.1
72.42316	1.4
79.05497	30.4
81.03423	42.9
81.07060	18.2
83.04981	7.1
83.08621	9.2
84.41193	1.3
85.06544	2.2
91.05486	26.9
93.07054	31.6
95.04974	17.7
95.08601	9.8
97.06542	2.2
97.10178	1.9
105.04508	1.3
105.07026	20.6
107.04953	6.1
107.08604	6.0
109.06511	4.0
109.10203	2.6
111.04415	2.1
111.08097	4.7
117.07008	2.8
119.08600	16.2
121.06479	2.8
121.10141	4.2
123.08060	1.3
128.06271	1.4
129.07010	10.3
131.08571	4.3
133.06522	2.3
133.10132	4.6
142.07790	1.8
143.08545	2.9
145.10141	4.0
147.08055	3.5
147.11703	15.2
157.10127	4.6
161.13277	4.6
171.11722	11.3
174.40736	1.6
175.11195	5.0
189.12770	4.2
193.12221	8.3
207.13786	12.8
263.68338	1.4
267.15927	41.0
268.16443	1.4
281.17468	37.1
282.17676	2.4
456.92459	1.5
473.29013	100.0
474.29422	13.5
491.30203	3.4
515.29730	1.9
681.35895	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	720.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58311	1.3
51.02374	1.7
53.03945	8.8
55.01873	11.4
55.05514	28.3
57.03448	15.0
57.07078	2.6
59.04995	2.3
61.02921	3.3
61.38559	1.4
61.75536	1.3
65.03948	5.1
67.05509	73.1
68.05853	3.0
69.03421	8.8
69.07072	21.1
69.24329	9.1
71.01363	2.2
71.05000	16.2
71.08662	1.8
71.48926	1.3
75.07145	1.6
77.03976	1.4
77.35005	1.5
79.05500	64.7
80.05830	1.5
81.02932	1.9
81.03422	60.3
81.07063	100.0
82.07396	3.1
83.01345	5.4
83.04983	28.7
83.08627	23.9
84.08916	2.0
85.02901	12.0
85.06557	6.6
86.09695	1.9
91.04910	2.1
91.05486	44.4
92.05819	2.4
93.07050	70.4
94.07381	3.7
95.04977	18.1
95.08613	35.9
96.08968	2.6
97.02894	12.7
97.06545	18.6
97.10172	5.2
99.04459	5.9
99.08086	3.4
101.02409	2.0
103.05498	2.1
105.04530	2.6
105.07033	26.3
106.07337	2.4
107.04961	23.0
107.08601	36.9
109.02881	13.1
109.06527	9.8
109.10159	14.7
110.10474	1.8
111.04442	10.1
111.08073	11.0
113.06021	1.6
117.07030	19.5
119.08592	21.9
121.06492	8.6
121.10152	21.8
123.04436	3.0
123.08063	8.4
123.11711	5.0
125.06004	2.7
125.09626	2.9
127.03905	11.3
129.05501	2.3
129.07037	5.4
131.08566	16.4
133.06505	2.8
133.10132	19.9
135.08080	5.3
135.11699	27.5
136.12025	1.7
137.09651	3.3
143.08592	4.6
145.06488	3.7
145.10149	20.8
147.08087	4.7
147.11673	6.0
149.05948	2.0
149.09651	7.3
149.13277	14.9
151.11206	3.3
153.12750	15.0
155.08591	3.4
157.10144	5.4
159.07986	1.7
159.11711	10.0
160.49820	1.4
163.11195	24.5
171.11716	2.7
173.09666	5.3
173.13263	2.4
175.11148	2.8
177.12805	4.2
181.12234	7.8
183.11682	2.1
184.07378	3.1
189.11252	1.9
191.10707	7.9
193.12285	6.3
195.13811	11.4
209.11713	5.5
211.13322	4.6
227.12766	21.4
229.14331	3.5
230.14758	2.1
231.14474	1.6
235.48077	1.7
265.14362	11.1
267.16003	5.7
269.17484	46.8
273.14789	1.6
274.19000	1.7
275.20026	11.0
283.15466	9.8
293.21112	2.3
299.20203	1.8
335.15292	1.5
349.23746	5.4
353.16037	5.9
356.32367	1.5
385.23975	1.7
409.18704	2.3
423.27216	2.3
427.19678	27.0
428.20300	2.4
433.55194	1.7
437.28564	2.4
459.27411	10.6
477.28488	75.9
478.28854	10.3
495.29031	3.2
505.34772	1.6
523.34509	1.8
541.35168	5.8
559.36072	3.1
603.31543	4.6
621.32721	85.3
622.32764	10.7
639.33447	7.6
703.39520	1.9
720.44238	5.7
721.36206	5.0
725.75018	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	720.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58311	1.3
51.02374	1.7
53.03945	8.8
55.01873	11.4
55.05514	28.3
57.03448	15.0
57.07078	2.6
59.04995	2.3
61.02921	3.3
61.38559	1.4
61.75536	1.3
65.03948	5.1
67.05509	73.1
68.05853	3.0
69.03421	8.8
69.07072	21.1
69.24329	9.1
71.01363	2.2
71.05000	16.2
71.08662	1.8
71.48926	1.3
75.07145	1.6
77.03976	1.4
77.35005	1.5
79.05500	64.7
80.05830	1.5
81.02932	1.9
81.03422	60.3
81.07063	100.0
82.07396	3.1
83.01345	5.4
83.04983	28.7
83.08627	23.9
84.08916	2.0
85.02901	12.0
85.06557	6.6
86.09695	1.9
91.04910	2.1
91.05486	44.4
92.05819	2.4
93.07050	70.4
94.07381	3.7
95.04977	18.1
95.08613	35.9
96.08968	2.6
97.02894	12.7
97.06545	18.6
97.10172	5.2
99.04459	5.9
99.08086	3.4
101.02409	2.0
103.05498	2.1
105.04530	2.6
105.07033	26.3
106.07337	2.4
107.04961	23.0
107.08601	36.9
109.02881	13.1
109.06527	9.8
109.10159	14.7
110.10474	1.8
111.04442	10.1
111.08073	11.0
113.06021	1.6
117.07030	19.5
119.08592	21.9
121.06492	8.6
121.10152	21.8
123.04436	3.0
123.08063	8.4
123.11711	5.0
125.06004	2.7
125.09626	2.9
127.03905	11.3
129.05501	2.3
129.07037	5.4
131.08566	16.4
133.06505	2.8
133.10132	19.9
135.08080	5.3
135.11699	27.5
136.12025	1.7
137.09651	3.3
143.08592	4.6
145.06488	3.7
145.10149	20.8
147.08087	4.7
147.11673	6.0
149.05948	2.0
149.09651	7.3
149.13277	14.9
151.11206	3.3
153.12750	15.0
155.08591	3.4
157.10144	5.4
159.07986	1.7
159.11711	10.0
160.49820	1.4
163.11195	24.5
171.11716	2.7
173.09666	5.3
173.13263	2.4
175.11148	2.8
177.12805	4.2
181.12234	7.8
183.11682	2.1
184.07378	3.1
189.11252	1.9
191.10707	7.9
193.12285	6.3
195.13811	11.4
209.11713	5.5
211.13322	4.6
227.12766	21.4
229.14331	3.5
230.14758	2.1
231.14474	1.6
235.48077	1.7
265.14362	11.1
267.16003	5.7
269.17484	46.8
273.14789	1.6
274.19000	1.7
275.20026	11.0
283.15466	9.8
293.21112	2.3
299.20203	1.8
335.15292	1.5
349.23746	5.4
353.16037	5.9
356.32367	1.5
385.23975	1.7
409.18704	2.3
423.27216	2.3
427.19678	27.0
428.20300	2.4
433.55194	1.7
437.28564	2.4
459.27411	10.6
477.28488	75.9
478.28854	10.3
495.29031	3.2
505.34772	1.6
523.34509	1.8
541.35168	5.8
559.36072	3.1
603.31543	4.6
621.32721	85.3
622.32764	10.7
639.33447	7.6
703.39520	1.9
720.44238	5.7
721.36206	5.0
725.75018	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	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01873	1.6
55.05516	8.0
57.03439	8.2
57.07080	20.8
61.02933	2.1
67.05508	13.0
69.03424	2.4
69.07076	6.3
71.04990	1.8
71.08631	14.4
79.05499	9.8
81.03421	30.3
81.07061	20.2
83.04993	6.4
83.08627	15.6
84.56779	0.9
85.02904	10.5
85.06536	1.1
85.10188	8.7
89.06007	1.2
91.05480	12.6
93.07054	7.3
95.04966	12.0
95.08606	15.0
96.08953	1.6
97.02894	2.8
97.06532	2.1
97.10155	5.4
98.22601	2.9
101.08982	0.9
103.07570	1.0
105.07039	9.1
107.04974	2.8
107.08587	4.1
109.06521	2.7
109.10152	6.7
110.10548	0.9
111.04460	2.7
111.08092	4.6
113.05996	1.0
119.08578	6.5
121.06472	0.9
121.10154	5.5
123.08062	1.3
123.11727	3.0
126.84889	0.8
129.07013	3.7
131.08577	4.6
133.10132	5.3
135.08130	0.9
135.11708	2.3
137.13252	0.9
145.10114	1.4
147.08138	1.0
147.11688	7.7
149.09631	3.6
157.10112	5.7
163.11113	1.0
165.12762	1.8
175.11185	6.1
184.07367	2.0
185.92168	1.0
193.12253	21.6
206.38983	0.8
211.13293	34.5
212.13692	1.7
227.12930	0.9
229.13849	1.0
239.23740	2.3
248.26735	0.8
257.24823	1.5
267.15912	15.9
283.15240	1.5
284.15839	1.4
285.16980	39.4
286.17361	2.2
313.27353	53.1
314.27707	4.2
505.38989	10.5
506.39380	0.9
523.39941	100.0
524.40326	14.1
720.43274	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.50158	0.8
55.05518	11.1
57.03442	13.3
57.06800	1.5
57.07080	29.1
61.02924	2.6
63.79242	0.9
64.22898	0.8
67.05187	1.4
67.05513	19.5
69.03422	2.5
69.07069	10.8
69.11973	6.7
71.05008	1.5
71.08640	24.0
79.05501	14.2
81.03424	34.0
81.07062	26.7
83.04978	8.1
83.08148	1.5
83.08623	20.1
85.02911	16.1
85.06555	1.7
85.09722	1.5
85.10191	14.9
86.09686	2.6
91.02236	1.0
91.03990	1.4
91.05491	16.7
93.07037	9.0
95.04974	14.6
95.08608	18.4
97.02885	2.9
97.06544	2.6
97.10178	5.7
105.07042	12.6
107.04958	3.1
107.08595	5.2
109.06532	2.3
109.10175	9.6
111.08080	6.3
117.06997	1.4
119.08587	10.0
121.06487	0.9
121.10187	5.8
123.08083	1.9
123.11703	3.1
124.99997	2.3
129.07013	5.7
131.08563	4.9
133.10135	7.5
137.09639	1.5
137.13333	1.8
142.07762	2.1
147.08028	1.7
147.11725	8.2
149.09613	4.5
157.10127	7.9
159.19136	0.8
165.12712	1.4
175.11171	8.2
184.07365	10.1
193.12259	24.9
211.13315	30.3
239.23717	2.8
249.14948	1.6
257.24698	1.5
267.15900	12.4
282.11960	1.3
285.16968	39.8
286.17264	1.4
313.27371	77.6
314.27655	5.7
407.89618	1.2
465.35648	1.3
491.51804	1.0
505.38892	18.8
506.38782	2.2
523.39966	100.0
524.40234	9.0
720.46094	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.9
57.03434	23.1
57.07081	33.4
61.02914	8.9
67.05505	55.9
69.07063	26.1
71.04982	8.7
71.08633	22.7
79.05489	23.4
81.03422	42.4
81.07069	45.6
83.04978	15.0
83.08622	31.5
83.94894	4.5
85.02906	29.0
85.10181	13.2
86.09728	12.6
91.05480	27.0
93.07039	18.4
95.04962	15.3
95.08605	32.1
97.02908	8.5
97.10188	8.1
105.07015	18.8
107.05023	5.3
107.08614	7.9
109.06542	5.8
109.10146	18.9
111.08144	8.2
117.06992	5.5
119.08582	17.7
121.10121	14.1
133.10129	9.1
147.11655	11.6
157.10191	6.6
166.63060	5.5
175.11121	9.4
183.27518	5.2
184.07364	23.5
193.12280	29.0
211.13306	52.2
228.80400	5.0
237.71262	5.0
239.23952	5.1
267.15948	18.4
285.17026	54.2
286.17184	5.9
313.27390	75.9
314.27301	7.5
421.66315	5.7
465.35620	16.1
505.38855	9.4
523.39966	100.0
524.40009	15.9
575.99487	5.4
600.50818	8.3
622.48785	8.6
720.43884	8.8
721.44562	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
55.01873	6.5
55.05516	25.7
57.03442	11.5
57.07081	4.1
59.04996	2.1
61.02932	5.2
65.03947	5.2
67.05508	74.6
68.05836	1.9
68.24560	1.3
69.03432	18.2
69.07074	20.9
71.04994	26.1
71.08633	2.7
73.02922	3.5
77.03889	1.4
79.05495	52.4
81.02959	1.0
81.03422	36.3
81.07059	100.0
82.03786	1.2
82.07384	2.7
83.04987	13.8
83.08623	14.2
85.02906	8.8
85.06561	9.6
85.54861	1.2
86.09715	1.5
87.04474	1.4
91.03975	2.4
91.05482	60.9
93.07047	58.4
95.04962	14.4
95.08614	36.6
97.02892	11.3
97.06529	10.0
97.10183	6.1
99.04482	4.5
99.08109	2.8
103.03961	1.3
103.05464	2.5
105.04548	1.4
105.07033	50.6
106.07410	1.8
107.04971	5.5
107.08597	32.8
109.02868	6.0
109.06538	10.6
109.10146	18.7
110.06067	1.7
111.04441	4.9
111.08085	7.2
115.05445	2.9
116.06255	2.1
117.07035	18.2
119.08588	34.7
120.08913	1.4
121.06508	4.8
121.10157	19.3
123.08070	5.5
123.11699	11.0
125.09652	3.3
127.03941	6.3
128.06221	5.3
129.05501	4.0
129.07011	14.3
131.04948	1.4
131.08569	29.9
133.06448	3.0
133.10132	36.4
134.10501	2.2
135.08089	5.2
135.11676	17.5
136.12007	1.4
137.09653	2.7
137.13336	2.0
139.07565	1.7
139.11209	3.2
141.07033	4.3
142.07788	5.8
143.08591	16.5
145.06496	2.4
145.10118	21.7
147.08046	2.5
147.11682	21.6
149.02354	1.7
149.09650	5.5
149.13266	10.4
151.11197	4.4
153.07010	1.9
153.12758	2.4
155.08574	7.0
156.09245	1.3
157.10139	16.3
159.08072	2.1
159.11703	19.7
161.09641	3.4
161.13266	10.1
163.11212	3.2
165.07117	1.4
165.12756	3.5
167.08588	4.0
169.10144	10.0
169.12364	1.4
171.08119	2.8
171.11702	13.8
173.04454	11.7
173.09642	2.2
173.13269	10.0
175.11249	6.0
175.14876	4.5
177.09262	1.3
177.12764	4.4
179.08560	1.7
179.14308	1.9
181.10158	5.2
183.11745	8.0
183.13742	2.5
184.07376	2.0
185.09804	1.7
185.13199	9.1
187.11296	2.6
187.13335	6.0
187.14899	4.4
189.12820	2.6
191.10654	1.4
193.04878	2.3
193.10101	2.6
193.12253	5.2
195.11711	5.0
195.13760	2.6
197.13281	8.1
197.14972	1.2
199.11182	1.5
199.14809	5.3
201.12769	2.2
201.14737	1.6
201.16486	2.3
207.11823	2.0
209.13307	4.4
211.11293	2.0
211.13161	1.8
211.14928	4.5
213.12823	2.7
213.16415	2.3
221.13280	1.5
223.11255	1.8
225.14841	4.0
227.16391	2.2
231.21156	1.6
241.19562	4.5
243.15759	6.1
243.21149	2.1
256.26361	2.4
257.17233	2.6
257.19440	2.5
259.20767	8.7
261.22205	5.0
267.16000	4.7
269.17355	6.2
271.20685	2.2
273.18536	3.3
273.22089	1.4
275.20108	6.2
277.21780	1.6
282.17029	1.7
283.20602	2.9
285.16998	2.2
289.21625	1.6
291.19724	2.1
299.19016	1.8
301.20007	1.3
309.21991	2.1
315.23221	2.5
317.24774	3.0
327.23135	1.7
333.24237	5.2
335.25708	2.8
339.18036	2.2
339.23447	1.8
349.23871	3.8
351.23071	2.3
367.22647	4.1
369.24185	1.4
385.24011	2.1
387.25180	1.7
393.31757	1.9
409.31168	1.9
411.31995	1.6
413.21777	2.6
417.31360	1.9
435.32858	3.3
436.32916	1.4
441.27014	1.5
453.33676	2.5
477.70932	1.4
483.34521	1.6
485.36383	2.8
501.35706	18.8
502.35773	1.9
503.37341	37.0
504.37671	5.4
509.36145	2.2
527.37323	29.1
528.37512	5.6
533.38330	2.6
539.37488	1.9
541.35101	5.5
557.38379	1.6
559.38763	6.4
617.37811	1.5
635.38928	2.7
653.40747	3.1
667.41718	3.0
671.41522	2.7
685.42706	4.1
689.42542	8.3
690.42792	2.2
703.42920	5.0
721.48450	9.0
721.58490	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	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03950	7.9
55.01870	2.8
55.05516	24.3
57.03444	15.0
57.07084	2.9
59.90165	1.3
65.03944	5.1
67.05508	83.6
68.05834	1.9
69.03439	2.5
69.07080	18.2
71.04995	3.6
71.08624	1.5
73.06587	2.5
77.03928	1.6
79.05498	95.4
80.05831	1.8
81.03441	10.3
81.07065	79.1
82.07384	2.1
83.05001	14.4
83.08630	12.0
85.02933	1.7
85.06557	2.9
86.09713	5.8
91.05486	70.7
92.05813	2.7
93.07052	100.0
94.07380	2.6
95.04972	20.7
95.08617	51.9
95.80164	1.3
96.08930	1.8
97.02876	1.9
97.06546	6.4
97.10179	3.3
99.08012	1.5
103.05450	2.3
105.04530	3.3
105.07037	48.3
106.07314	1.6
107.04977	6.0
107.08606	31.3
109.06515	5.4
109.10146	13.3
111.08079	2.7
115.05465	2.4
117.07014	11.9
119.08589	27.1
121.06523	3.7
121.10154	20.3
123.08070	7.2
123.11713	4.6
125.00023	3.9
125.09629	1.4
128.06218	4.4
129.07001	15.9
131.08591	11.5
133.10133	17.4
135.08144	1.4
135.11702	9.9
141.06978	1.5
141.09140	1.5
142.78760	1.4
143.08578	8.0
145.10150	14.0
147.07953	1.7
147.11697	40.8
149.13315	3.8
159.11696	4.4
161.09644	2.9
161.13246	10.7
163.14812	1.7
166.80112	1.5
171.11694	25.7
173.13254	3.5
175.14705	2.3
184.07370	21.3
187.14880	2.0
189.12787	9.5
207.13811	27.3
225.14809	1.8
228.86633	1.9
236.69740	1.4
243.20999	3.0
261.22116	7.0
279.15756	1.8
281.17505	68.2
282.17776	4.5
285.16907	1.5
313.27701	2.1
333.24533	1.6
335.25815	68.2
336.26028	4.9
387.89972	1.4
409.64508	1.5
433.45172	1.7
541.38910	97.8
542.39148	13.3
721.45032	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	722.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.2
55.05524	0.2
56.66344	0.2
64.33227	0.1
71.08633	22.5
72.08958	0.4
81.03450	0.1
88.11272	100.0
89.11594	1.8
103.99142	0.1
121.06532	0.3
125.73592	0.1
130.67249	0.1
153.01828	0.7
163.03874	0.2
191.82114	0.1
203.58241	0.1
206.44667	0.2
234.99150	0.2
277.03412	1.0
303.01144	0.2
739.70032	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	722.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52424	1.0
53.03945	2.9
55.01869	3.5
55.05512	5.8
56.18296	1.0
57.03439	8.5
67.05507	15.1
69.03448	1.6
69.07060	4.8
70.60732	2.0
70.61049	1.3
71.05003	3.0
78.15177	1.1
79.05494	18.4
81.03421	48.8
81.07063	17.6
83.04984	6.0
83.08624	15.8
85.02894	1.4
91.05478	14.7
93.07047	22.9
95.04972	19.5
95.08616	24.0
97.02901	4.1
97.06538	2.4
99.04442	2.2
103.05505	1.3
105.07039	11.9
107.04958	8.1
107.08604	17.6
109.06532	4.3
109.10163	3.0
111.04440	2.5
111.08135	5.6
117.03372	3.1
117.07011	5.9
119.08582	13.4
121.06494	6.8
121.10147	10.3
123.08099	2.0
125.06026	3.0
129.07011	5.5
130.07819	1.0
131.05000	1.1
131.08569	7.3
133.06465	2.0
133.10127	4.8
135.08047	1.9
135.11699	30.2
136.12080	1.4
137.09624	1.2
142.07790	1.9
145.02870	4.1
145.10135	19.2
147.08058	2.2
147.11696	3.4
149.09608	2.8
157.10135	5.9
163.11192	44.0
164.11549	3.1
165.12740	2.4
175.11235	5.8
177.05461	9.3
181.12233	8.2
193.12248	13.3
209.11700	2.4
211.13252	3.2
227.12775	40.4
228.13194	1.8
267.15909	89.3
268.16284	4.7
283.15424	57.0
284.15735	3.6
345.38440	1.2
367.11951	1.8
457.25812	2.5
475.26923	100.0
476.27359	10.5
493.27975	2.8
517.27869	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	722.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01876	4.3
55.05511	12.8
55.67486	1.1
57.03446	8.8
58.72741	1.2
59.04995	1.3
67.05510	13.3
69.03436	3.3
69.07068	3.8
70.56445	2.2
70.56784	1.7
71.01344	1.2
71.04981	2.3
73.02919	1.2
78.29150	1.1
79.05492	16.4
81.03423	40.1
81.07069	12.8
83.01344	3.9
83.04988	6.8
83.08618	10.8
85.02900	2.4
87.48423	1.2
91.05483	12.0
93.07048	14.0
95.04969	14.5
95.08624	6.1
97.02917	2.8
97.06529	2.5
97.10175	4.8
99.04426	1.9
103.05492	1.3
105.07055	8.9
107.04951	6.2
107.08597	9.1
109.06525	4.3
109.10154	3.2
111.04463	1.2
111.08090	4.1
114.43586	1.1
117.07015	5.1
119.08584	8.5
121.06518	2.9
121.10168	3.4
123.08074	4.3
123.43504	1.3
125.09644	3.4
129.07024	6.0
131.08580	5.8
133.06471	3.3
133.10133	2.7
135.08022	1.9
135.11684	4.1
135.58318	1.2
137.09644	1.4
143.08604	2.1
145.06499	2.5
145.10135	5.7
147.04462	1.6
147.08022	2.7
147.11685	4.9
149.06032	1.3
149.09599	2.7
149.67490	1.4
153.12711	1.6
155.08618	2.4
157.10156	3.9
161.05978	3.1
163.11179	9.4
171.08051	1.4
173.06029	1.4
173.09627	2.7
175.07578	1.7
175.11180	3.9
177.05528	2.0
183.11703	1.5
185.13213	1.4
189.09175	1.4
191.10706	2.6
193.12242	7.4
209.11830	4.2
211.13237	1.8
227.12761	3.1
236.41290	1.4
267.15906	27.0
273.14679	1.4
283.15414	19.1
289.14429	2.0
355.22934	1.9
365.21097	3.3
383.22189	16.6
401.23251	7.8
431.24020	1.4
439.24582	1.6
457.25800	24.4
461.28632	1.7
469.07346	1.5
475.26926	100.0
476.27277	9.5
493.28159	9.8
517.27264	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	722.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.05511	0.6
56.05029	0.8
57.03437	0.4
57.07079	1.1
58.06626	0.5
60.08166	6.3
61.02928	0.2
67.05509	1.8
69.07070	0.7
70.06610	0.2
71.04980	0.3
71.07375	3.7
71.08627	0.9
79.05490	0.9
81.03433	0.1
81.07056	2.8
83.04999	0.2
83.08616	0.4
85.02895	0.2
85.06552	0.2
85.10203	0.3
86.09705	30.1
87.10042	0.6
91.05485	0.8
93.07034	0.9
95.08615	1.1
97.06506	0.3
97.10192	0.3
98.98471	4.0
100.49503	0.1
104.10737	2.0
105.07039	0.6
107.08582	0.5
109.10169	0.4
117.07038	0.3
121.10173	0.2
123.11700	0.3
125.00004	21.6
131.08533	0.2
133.10149	0.7
135.11714	0.2
143.01045	0.3
149.13234	0.4
152.70494	0.2
152.79669	0.1
155.79922	0.1
159.11613	0.2
184.07341	100.0
185.07709	2.1
187.13290	0.3
195.13849	0.2
234.11986	0.1
243.15904	0.6
249.10980	0.3
269.17438	0.6
287.18509	1.1
313.27322	1.7
314.27731	0.3
467.18869	0.2
481.38870	3.2
482.38901	0.5
525.41498	1.0
690.46472	0.5
722.37469	0.2
722.49628	3.9
723.41595	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	722.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.3
55.05516	12.5
57.03446	6.5
57.07078	36.3
59.05005	1.4
60.05639	1.5
61.02911	1.7
65.03953	1.3
67.05507	72.4
69.03403	1.2
69.07071	9.1
71.04998	18.7
71.08633	26.8
71.28692	1.5
79.05499	11.6
81.03421	1.7
81.07055	24.3
83.04990	3.1
83.08622	12.7
85.02901	2.0
85.06561	3.3
85.10186	17.4
86.09702	3.7
91.05486	10.8
93.07054	10.3
95.04970	2.4
95.08606	27.9
97.06499	2.7
97.10172	4.6
105.07059	2.3
107.08594	8.8
107.10857	1.4
109.06560	1.5
109.10162	63.8
110.10486	2.1
111.08068	3.6
119.08577	8.8
121.06491	1.5
121.10167	2.9
123.11696	2.4
125.00047	1.9
130.02168	1.2
133.10094	1.8
135.11684	5.1
137.09657	7.0
145.10129	3.6
155.10634	3.4
163.11220	2.4
173.11758	8.5
181.12178	1.9
184.07365	11.2
218.75121	1.4
239.23724	2.2
255.16046	3.9
275.20041	1.6
287.18500	18.6
313.27390	32.0
314.27750	3.4
340.68491	1.5
409.53244	1.6
426.06647	1.4
467.37311	100.0
468.37732	11.8
481.38773	3.5
493.38992	7.6
525.41486	76.5
526.41785	12.8
669.44653	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	722.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69580	0.6
52.87634	0.8
53.03947	1.6
53.44153	0.7
55.05516	9.8
57.03444	5.3
57.07081	31.0
59.05008	2.3
59.80728	0.7
61.02931	2.6
65.03941	1.6
67.05508	68.6
68.05847	1.2
69.03432	1.8
69.07068	10.6
71.04994	17.9
71.08635	24.4
71.09013	1.6
71.28205	1.0
75.55261	0.8
79.05497	8.3
81.03424	1.8
81.07060	22.7
81.66099	1.0
83.04986	2.5
83.08624	14.7
85.02932	2.6
85.06547	2.6
85.10190	12.5
86.09713	3.7
91.03960	0.8
91.05483	10.8
91.89739	0.8
93.07044	12.4
95.04986	1.8
95.08614	24.1
95.19020	0.8
97.02896	1.4
97.06536	3.3
97.10155	5.0
98.98464	1.1
105.07043	1.9
107.08606	6.6
109.10162	59.3
110.10521	2.2
111.08096	2.8
111.11726	1.0
117.07066	1.5
119.08579	9.7
121.06519	0.9
121.10152	3.3
123.11729	3.7
125.00018	2.5
133.10158	1.4
135.08087	0.9
135.11719	7.9
137.09608	10.5
137.13281	1.4
145.10136	2.8
151.14792	1.4
155.10690	3.4
163.11159	4.4
165.86800	0.8
169.12273	1.3
173.11766	8.1
181.12199	1.1
184.07373	10.3
187.13339	1.4
239.23721	3.6
243.16028	1.3
245.61588	0.9
255.15974	4.6
257.69965	0.8
275.20062	1.1
287.18518	22.1
288.18835	1.1
313.27338	22.9
314.27658	1.7
341.27097	1.1
455.88129	0.8
467.37332	100.0
468.37741	12.0
481.39038	4.5
493.38699	5.9
525.41528	92.6
526.41791	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	723.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01876	1.2
55.05507	2.8
57.03444	1.7
58.08986	0.3
59.05010	0.5
59.42728	0.4
60.41895	0.3
61.02932	4.5
61.56834	0.3
65.03952	0.3
67.05508	10.4
69.03432	3.7
69.07081	2.6
71.04997	1.0
73.02923	3.2
79.05495	4.2
81.03426	3.0
81.07061	9.5
81.07528	0.6
82.07397	0.4
83.04992	0.9
83.08604	1.8
85.02911	4.7
85.06558	0.8
87.04515	0.5
91.03961	2.4
91.05486	4.7
93.07046	3.7
95.04948	1.6
95.08621	3.2
96.77117	0.3
97.02902	4.6
97.06557	1.2
97.10189	0.4
99.04480	1.0
99.08158	0.4
101.02399	1.4
103.03969	0.4
105.07036	3.7
107.04994	1.0
107.08609	2.9
109.02893	0.8
109.06554	1.4
109.10158	7.3
111.08078	0.5
115.03898	0.5
117.07046	1.0
119.08595	3.4
121.06527	0.4
121.10136	2.1
123.08033	0.4
123.11766	0.9
125.09572	0.3
127.03941	2.1
129.05482	0.4
129.07031	0.8
131.08586	1.7
133.06497	0.4
133.10150	2.7
135.08063	0.5
135.11714	1.4
137.09604	0.4
143.08554	0.7
145.04918	0.4
145.10094	1.7
147.11693	2.3
149.09665	1.1
149.13268	0.8
155.08582	0.7
157.10168	1.0
159.08121	0.3
159.11716	1.1
161.13287	0.5
163.11205	0.7
169.10153	0.4
171.11742	0.8
173.04504	0.3
173.11804	2.0
173.13260	0.7
175.76556	0.3
183.11740	0.5
185.04308	0.8
187.14957	0.5
195.09996	1.0
229.14388	0.8
243.08430	2.7
256.26541	0.4
257.19238	0.4
259.07852	0.4
269.17572	1.0
275.20175	2.1
293.21246	0.5
333.20248	2.8
349.23889	0.5
367.24600	0.3
389.22940	0.7
413.17761	9.3
414.18289	0.5
423.19955	0.7
481.20590	0.4
485.20230	1.0
543.36804	1.5
551.28333	7.2
552.28796	0.8
561.37335	1.2
595.30713	0.7
648.23468	0.4
705.42316	0.5
708.53687	0.3
723.39258	100.0
724.39520	14.0
726.39587	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	723.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
57.03425	1.6
57.07079	5.3
60.08173	4.5
61.02927	4.3
67.05510	4.9
69.03438	2.9
69.07072	1.7
71.05013	1.6
71.07376	2.1
71.08624	2.9
71.27635	1.3
73.02921	3.6
73.65095	1.0
77.39791	1.1
79.05505	4.0
81.03438	2.2
81.07069	6.3
83.08617	3.1
85.02919	4.9
85.10204	2.3
86.09708	20.2
87.04508	1.2
87.10069	2.4
88.85378	1.3
91.03952	2.5
91.05495	3.3
93.07065	4.4
95.08598	6.1
97.02860	5.8
97.10177	1.9
98.98481	3.0
101.02391	1.7
104.10796	1.4
105.07043	3.2
107.08581	2.9
109.02908	1.7
109.10180	3.8
117.07022	1.3
119.08582	2.6
121.10174	1.8
125.00021	13.9
126.22917	1.0
127.03828	1.2
128.06332	1.1
133.10155	3.8
135.11736	4.0
145.10220	2.9
149.09564	1.1
163.11162	6.3
184.07353	56.8
185.07681	9.4
213.55800	1.2
227.12804	2.7
243.08260	2.5
249.10971	10.8
250.11533	1.4
258.08881	1.2
264.48511	1.1
305.13708	2.7
467.18982	14.7
468.18832	1.6
497.30789	7.2
723.42792	100.0
724.43243	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.5
53.03951	6.5
53.64883	0.9
55.01874	3.0
55.05512	22.0
55.05765	1.8
57.03444	6.2
57.07082	3.0
59.05017	1.3
61.13916	0.8
65.03943	4.2
67.05507	74.5
68.05835	1.7
69.03435	10.7
69.07068	11.1
71.05000	21.0
71.08626	1.3
77.03950	1.0
79.05495	41.9
81.03420	19.9
81.07060	100.0
82.03751	1.1
82.07387	1.5
83.04979	14.0
83.08625	9.1
85.02920	2.8
85.06541	6.6
86.09683	1.4
91.04897	1.3
91.05038	0.5
91.05482	36.8
93.07044	43.7
94.07397	1.3
95.04971	6.8
95.08609	34.8
97.02896	5.8
97.06538	4.8
97.10172	3.9
99.04467	2.3
99.08148	2.2
103.05491	1.4
105.04539	1.5
105.07033	23.3
107.04994	1.1
107.08602	20.1
108.08971	1.0
109.02894	3.3
109.06552	3.2
109.10157	14.8
111.04459	4.0
111.08138	2.2
113.06000	1.2
115.05480	1.2
117.07027	8.4
119.08591	10.7
121.06542	1.8
121.10140	15.5
123.08075	2.4
123.11710	10.9
123.54617	1.1
125.09635	1.6
127.03969	2.5
129.05528	4.9
129.07022	3.2
131.08580	9.7
133.06496	1.3
133.10126	17.3
135.08064	1.9
135.11720	9.1
137.09648	1.1
143.08601	2.2
145.10091	6.3
146.14429	1.0
147.11696	8.0
149.13274	7.7
151.11197	4.3
153.12828	1.1
155.08575	1.5
157.10136	2.5
159.11699	8.6
161.09586	1.1
161.13290	3.6
163.14928	1.0
165.12761	1.5
167.14285	1.0
169.10201	1.6
169.12245	1.5
171.11703	2.3
173.04489	5.6
173.13275	3.4
175.14943	0.9
175.35237	1.0
177.12766	3.3
181.10176	1.0
182.56041	1.0
183.13847	2.8
184.07336	4.5
185.13202	1.1
187.13344	8.3
187.14856	1.8
195.13757	2.9
201.14861	2.3
203.03201	0.9
225.14902	1.0
227.16437	1.0
243.15985	3.2
243.21181	1.1
257.17490	2.5
261.22101	2.6
263.23657	1.1
269.17456	6.1
301.20172	1.7
323.23300	0.9
335.25839	26.1
336.26233	1.8
339.18015	1.3
363.25571	1.2
369.24496	1.6
372.45255	0.9
405.26404	1.3
413.21732	2.5
445.24289	5.3
485.36206	1.1
503.29904	2.0
503.37335	40.0
504.37671	6.7
505.38901	5.0
517.38794	4.0
518.39966	1.3
527.37598	1.2
529.38873	12.0
530.39215	1.9
561.41516	37.3
562.41968	5.0
647.41040	1.2
673.43048	3.0
705.45422	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	724.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01862	2.4
57.03453	1.0
57.07065	2.6
65.03944	1.8
67.05505	12.6
68.99800	0.7
69.03428	5.5
69.07062	2.5
70.06495	2.2
71.04996	9.5
79.05489	14.2
81.03421	8.8
81.07054	4.2
83.04980	4.2
85.02895	2.1
85.06543	58.3
91.05485	12.7
93.07042	14.3
95.04972	4.6
95.08614	1.6
97.02904	1.8
97.06534	2.9
99.04438	3.0
99.08073	2.3
103.05443	0.8
105.04565	0.9
105.07024	15.0
107.04957	7.7
107.08595	15.0
109.02892	6.0
109.06525	4.2
111.04456	7.2
115.05458	0.9
116.06239	1.5
117.07001	5.1
119.08585	11.4
121.06510	8.8
121.10136	10.5
123.04451	1.8
123.08081	4.0
124.56147	0.8
125.05986	4.3
127.03906	6.2
127.05362	0.7
128.06204	0.8
129.07013	7.0
130.07811	1.2
131.08569	49.0
132.08905	1.3
133.06505	4.3
133.10065	1.8
135.04404	1.4
135.08041	2.2
135.11684	3.2
137.05974	1.5
137.09633	3.5
139.07524	1.1
141.05443	0.8
143.07077	0.8
143.08546	1.4
145.06491	1.9
145.10124	20.2
146.10390	1.0
147.04457	0.8
147.08058	6.2
149.05998	4.9
149.09616	39.5
150.09955	1.2
151.07527	8.1
153.05457	2.6
155.07011	2.4
155.08498	1.8
157.06508	1.2
159.08078	2.6
161.02339	1.6
161.09608	1.4
163.03932	2.5
163.07555	2.8
163.11189	12.6
165.09105	7.8
167.07100	3.6
167.08470	1.2
167.10678	21.3
168.11063	1.0
169.08604	2.8
171.08093	1.2
173.02354	1.0
173.09622	5.8
175.07538	5.0
179.03358	1.1
179.08336	0.7
179.10773	1.0
185.08031	1.0
185.09578	0.9
187.11432	0.8
188.09000	0.8
189.01852	2.9
189.09132	1.2
191.03404	3.1
191.10666	41.2
192.11021	1.8
193.01343	0.7
193.08560	0.9
197.09706	1.3
197.11665	1.2
198.30208	0.8
201.01897	0.9
207.02922	2.9
207.10146	1.5
209.11728	58.8
210.12057	2.4
211.11111	0.8
215.10466	0.9
217.01312	8.3
219.02914	3.9
219.10175	1.6
221.00900	1.0
221.11673	1.0
227.12775	100.0
227.67529	0.7
228.13170	4.5
229.01512	0.9
234.43542	0.7
235.02361	8.8
235.09615	0.9
237.11247	2.8
239.10654	3.1
245.00821	8.1
246.01526	1.0
247.02373	2.3
251.12805	0.8
257.11761	1.3
263.01862	3.2
267.12186	0.8
273.00320	6.0
275.01779	3.0
275.12848	1.6
281.11679	0.9
291.01416	1.2
299.12793	4.2
300.12784	0.8
300.99731	2.3
317.13815	11.5
319.00977	3.5
335.14963	2.0
337.01797	10.8
338.02069	1.0
379.03082	1.3
433.03964	1.0
439.04910	1.1
445.04108	0.8
463.04984	3.6
481.06113	10.4
635.13947	0.9
653.14734	1.7
671.15625	3.3
689.16193	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	724.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26018	0.8
53.03949	1.9
55.01880	2.4
55.05522	1.8
57.03445	1.1
57.07086	2.3
65.23311	0.8
67.01885	0.7
67.05509	11.7
67.16966	0.8
69.03439	5.6
69.07069	3.8
70.11040	1.8
71.04995	10.4
74.69772	0.8
79.05499	15.4
81.03417	4.9
81.06631	0.7
81.07059	4.4
83.04984	4.5
85.06548	51.4
86.06876	1.6
91.05484	11.8
91.54202	0.7
92.05842	1.1
93.07051	12.8
95.04978	6.3
95.08611	1.8
96.33419	0.7
97.02890	2.0
97.06534	2.2
99.04435	1.1
99.08112	2.4
105.07037	11.9
107.04952	7.4
107.08607	14.3
109.02908	3.2
109.06519	4.2
111.04451	7.3
117.07047	4.7
119.08591	9.7
121.06512	7.9
121.10154	9.5
122.10478	0.9
123.04467	1.7
123.08083	3.6
125.06004	5.0
127.03956	3.5
128.06258	0.8
129.07018	5.0
130.07809	1.7
131.08575	49.1
132.08904	1.2
133.06523	2.8
133.10138	1.4
135.08133	1.3
135.11696	2.4
135.98314	0.8
137.05972	1.8
137.09650	3.0
139.07591	1.3
141.05504	1.0
143.06985	1.5
143.08609	2.2
145.06503	1.8
145.10130	19.8
146.10481	1.4
147.08078	4.9
149.06027	3.5
149.09625	37.3
150.10025	1.5
151.07555	5.8
153.01804	2.3
153.05495	2.3
155.07117	1.3
155.08606	2.0
157.06549	1.0
157.10139	1.0
159.08112	2.6
163.03937	2.7
163.07629	2.1
163.11201	13.7
165.09102	6.6
167.07065	2.8
167.10684	16.4
169.08627	2.6
173.09598	5.6
175.07640	1.1
179.10684	1.7
189.01799	2.0
189.09068	1.3
191.03458	3.0
191.10678	39.3
197.09683	0.9
197.11752	1.2
201.01892	1.1
207.02876	3.8
207.10193	1.5
209.11739	58.0
210.12048	3.6
217.01402	3.0
219.02925	2.9
219.10173	1.3
221.00841	1.1
227.12784	100.0
228.13077	4.5
235.02374	8.7
237.11243	3.0
239.10680	1.9
245.00909	4.3
247.02368	3.9
257.11905	1.0
263.01804	1.7
273.00333	3.2
275.12634	1.4
299.12805	2.9
317.13892	9.5
319.00848	5.9
335.15024	1.9
337.01804	4.7
406.35300	0.9
463.05313	1.0
481.05966	1.5
630.48425	0.9
635.14514	0.8
653.14398	2.7
671.16010	2.2
724.38177	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	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50425	0.9
55.01872	3.4
55.05510	11.9
57.03435	12.2
65.03940	1.1
67.05502	21.0
69.03426	3.4
69.07062	3.9
71.04984	4.2
79.05492	23.4
81.03419	91.9
81.07058	21.6
82.03743	1.6
83.04976	11.0
83.08616	24.1
85.02903	13.5
85.06560	2.4
91.05480	30.9
93.07036	15.8
94.79274	1.0
95.04964	31.7
95.08611	7.5
97.02895	3.5
97.06560	2.8
97.10140	6.1
105.07030	22.0
107.04971	6.3
107.08604	7.7
109.06520	5.7
109.10159	4.1
111.04457	3.2
111.08083	9.5
113.06046	1.2
115.05403	1.9
117.07042	4.0
119.08599	16.4
121.06499	4.0
121.10139	9.4
123.08074	3.0
125.09635	3.8
129.07007	10.8
131.04953	1.2
131.08580	12.5
133.06462	4.8
133.10124	9.3
135.08044	1.8
135.11717	1.1
137.09583	1.8
141.07059	1.2
142.07794	3.0
143.08514	1.8
145.06477	4.1
145.10149	2.7
147.08032	4.5
147.11670	11.1
149.09639	6.6
155.08545	1.6
157.06477	2.0
157.10127	14.7
163.11125	1.2
165.12772	3.5
171.07991	1.1
171.11607	1.3
175.11168	11.8
185.09676	1.2
193.12227	35.7
194.12552	1.9
195.11659	1.2
205.12318	1.8
211.13306	15.3
212.13727	1.3
223.13231	1.5
227.12845	1.4
229.14397	1.7
249.14804	3.3
255.13776	3.5
267.15903	100.0
268.16199	5.5
273.14832	4.0
285.16965	15.4
288.59430	1.1
341.20819	1.0
349.21625	3.0
367.22644	9.7
385.23752	12.0
403.24719	4.6
405.24258	1.1
433.25909	16.2
434.26376	1.9
441.26501	5.8
459.27414	71.1
460.27649	9.2
477.28516	41.7
478.28775	4.3
508.13669	1.0
585.29816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01878	1.1
55.05515	11.2
57.03428	4.5
57.07071	1.8
59.04995	1.7
59.76820	0.7
61.02918	2.7
65.03944	2.4
67.05505	57.8
68.05800	1.2
69.03418	2.3
69.07068	6.4
70.54436	1.5
71.04992	46.0
73.02936	1.6
73.17120	0.8
79.05493	19.6
80.05840	0.8
81.03406	3.2
81.07055	100.0
82.07381	2.2
83.04995	5.8
83.08633	7.4
84.05306	0.9
85.02898	3.4
85.06540	10.3
91.03957	1.3
91.05479	31.4
92.05827	1.3
93.07049	22.7
95.04968	3.0
95.08605	10.6
97.02895	2.2
97.06538	7.4
97.10185	2.1
97.22798	0.8
99.04394	0.8
99.08107	1.2
101.06023	0.9
105.07024	14.8
106.07343	0.9
107.08594	15.2
108.08920	0.9
109.06509	2.3
109.10150	9.0
110.10489	0.9
111.04466	1.1
111.08077	3.9
117.07025	3.6
119.08583	2.7
121.06511	1.1
121.10121	7.1
122.10474	1.1
123.11700	19.3
125.09625	1.4
126.44953	0.8
131.08554	6.9
133.10133	25.7
135.11685	5.7
139.11240	0.9
149.09605	1.4
149.13274	8.2
151.11189	13.2
159.11679	9.0
169.12282	1.8
171.11668	0.8
177.12720	3.2
183.13815	9.1
187.13327	4.5
195.13744	4.2
201.14856	1.2
203.81046	0.8
225.14890	2.2
237.39751	0.8
257.17462	2.6
269.17508	4.5
283.19101	1.3
290.26016	0.9
301.20099	19.4
302.20462	1.9
419.27997	1.5
425.29062	4.5
437.28931	4.5
451.30557	7.9
452.31116	1.0
463.30389	6.3
469.31613	68.9
470.31787	7.4
483.33136	8.8
484.33490	1.0
495.33163	38.9
496.33633	5.9
527.35779	48.5
528.36066	4.8
552.03174	0.9
639.37463	1.0
659.00183	0.9
724.39600	9.0
725.37250	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.05510	23.1
57.03443	23.3
61.02931	6.0
67.05182	4.9
67.05510	68.2
69.03421	5.0
69.07079	16.9
71.30838	4.6
79.05499	47.3
81.03420	97.8
81.07062	62.7
82.03719	4.5
83.04990	6.9
83.08626	24.7
85.02894	6.2
85.06557	5.4
91.05481	42.3
93.07043	46.6
95.04976	31.7
95.08595	40.2
96.04553	3.5
97.02878	6.9
97.06508	5.9
97.10152	6.8
105.07034	24.6
106.84441	3.4
107.04936	6.8
107.08591	28.4
109.10162	20.3
111.08107	4.8
117.06995	6.8
119.08574	16.6
121.06515	5.4
121.10149	21.7
123.11695	6.1
125.09618	3.9
127.49741	3.2
129.07031	13.4
131.08563	20.1
133.10120	21.7
135.11700	13.4
145.10123	11.6
147.08032	4.6
147.11646	10.5
149.09671	4.7
149.13322	5.2
157.10069	6.4
161.13225	7.0
163.14833	4.3
165.12735	3.2
171.11726	5.4
173.13242	7.5
175.11247	4.3
187.14810	4.2
193.12276	24.3
227.12700	7.7
235.13045	4.4
243.21095	6.1
261.22211	16.3
262.22159	3.6
267.15930	100.0
268.16199	4.9
268.40204	3.8
301.14426	3.8
301.25357	5.8
335.25806	87.0
336.26230	4.3
435.32828	6.5
453.33228	6.5
480.10519	3.6
527.37311	45.7
528.37207	3.6
545.38611	15.7
590.74512	3.5
724.46448	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	724.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05042	0.6
57.07084	0.3
58.06355	0.3
58.06630	0.5
60.08165	5.8
67.05499	1.0
69.07078	0.4
69.49057	0.7
70.06555	0.2
71.07375	3.0
79.05498	0.7
81.07056	0.8
83.04977	0.2
85.10172	0.2
86.09706	30.3
87.10055	0.8
91.05480	0.5
93.07070	0.5
95.04960	0.2
95.08617	0.6
98.98471	3.5
104.10741	2.4
105.07069	0.3
107.08596	0.3
109.10159	0.2
119.08568	0.2
121.02440	0.2
121.10138	0.2
125.00005	19.7
133.10086	0.2
135.11670	0.2
152.47322	0.2
184.07344	100.0
185.07690	2.0
556.21375	0.2
627.45807	0.7
688.45538	5.1
689.46136	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	725.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01871	0.8
55.05508	1.6
56.05862	0.4
57.03443	2.3
59.05003	1.7
61.02929	4.0
65.03946	0.4
67.05505	6.5
68.05851	0.8
69.03437	2.4
69.07079	1.1
70.55470	1.0
71.01364	0.5
71.05003	1.3
73.02917	2.8
74.24567	0.4
79.05497	6.4
80.95639	0.3
81.03423	3.8
81.07061	5.3
82.07414	0.8
83.04993	1.4
83.08624	1.5
85.02905	3.4
85.06557	0.8
87.04476	1.6
91.03986	2.1
91.05482	4.8
93.07050	5.0
94.07386	0.7
95.04977	2.1
95.08613	2.3
97.02904	3.7
97.06544	1.2
97.10182	0.7
99.04487	1.4
99.08105	0.4
101.02393	1.6
103.03957	0.5
105.04575	0.5
105.07034	3.3
107.04975	0.9
107.08592	3.1
108.08953	0.4
109.02898	0.6
109.06536	0.6
109.10172	2.2
111.08092	1.2
115.03929	0.4
115.06594	0.4
117.07044	0.9
119.08622	2.2
121.06573	0.8
121.10159	2.2
123.08101	0.6
123.11745	0.5
125.09604	0.4
127.03957	0.8
129.05537	0.4
129.07033	1.5
131.08600	1.1
133.10149	2.4
134.27164	0.4
135.11739	0.6
145.10187	0.9
147.08055	0.3
147.11696	3.1
149.09663	1.4
149.13245	0.6
152.07103	0.4
157.10141	0.9
160.21925	0.4
161.13249	0.5
163.11217	0.6
163.57210	0.4
171.11742	1.4
173.09648	0.4
173.11716	0.4
175.11226	0.9
177.12646	0.5
189.12988	0.5
190.87535	0.4
193.12291	1.2
195.13995	0.5
197.15504	0.4
207.13824	0.5
225.14862	0.7
229.14365	1.8
230.14735	1.1
243.08388	2.8
247.13165	0.8
253.14330	0.5
267.16034	1.0
269.17468	1.9
270.17886	0.7
283.15097	2.7
303.15817	0.6
339.17862	1.0
423.27655	1.2
424.27884	2.7
465.20984	8.9
465.27100	0.6
466.21268	1.0
501.23074	9.0
502.23416	0.7
563.32135	0.6
643.11218	0.4
725.37170	100.0
726.37531	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	726.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
53.90766	0.5
55.01865	2.2
55.05508	7.4
57.03434	5.3
58.26036	0.4
59.04993	1.0
61.02924	1.1
61.47517	0.5
65.03935	0.8
67.05507	30.6
68.05824	0.7
69.03421	1.9
69.06857	1.1
71.04991	10.5
79.05067	1.0
79.05494	14.1
79.89020	0.6
81.03419	23.5
81.07052	13.8
83.04981	4.8
83.08618	7.7
85.02903	1.2
85.06542	1.5
86.09690	1.2
91.05481	15.2
93.07041	10.6
94.07360	0.5
95.04973	14.7
95.08603	8.7
97.02893	1.5
97.06541	2.5
97.10162	3.5
99.08064	0.9
103.05429	0.6
105.07040	7.1
107.04961	7.9
107.08595	7.7
109.06525	8.6
109.10156	22.9
110.10476	1.1
111.04424	1.1
111.08091	2.6
115.05461	1.0
117.07013	3.4
119.08585	10.3
121.06495	6.3
121.10149	4.6
123.08080	2.5
125.09608	3.4
127.17882	0.6
129.05482	0.7
129.07022	4.5
131.08575	5.9
133.06488	1.6
133.10139	3.3
135.08058	4.2
135.11682	4.0
137.09628	4.1
139.11220	0.9
142.07863	0.6
143.08574	2.3
145.06491	1.8
145.10155	3.2
147.08064	2.1
147.11668	3.4
149.09612	2.7
151.11275	0.7
153.09122	1.0
155.08559	0.9
155.10683	0.9
157.10120	4.5
159.08076	1.2
159.11684	1.7
161.09605	1.1
163.11221	3.4
163.55679	0.5
165.12738	0.6
167.10674	1.3
169.10130	1.1
171.07994	0.7
171.11729	1.4
173.11752	3.2
173.13266	1.5
175.11186	3.5
177.12721	0.8
181.10188	0.8
181.12268	0.7
183.11734	0.6
184.07382	2.2
185.09622	0.5
185.13264	1.8
187.11195	0.7
189.09033	0.6
189.11191	1.3
189.12770	0.7
191.14366	1.7
193.12222	5.5
199.11154	0.5
201.12721	0.9
203.10692	1.2
203.14305	1.2
205.12267	0.9
211.13280	1.1
213.12767	0.8
215.14355	0.6
219.13779	4.1
221.15346	0.6
223.13155	0.8
229.14334	1.3
231.13795	0.9
237.14702	0.8
239.14151	0.5
243.15990	1.6
249.14854	1.0
255.15967	1.7
257.15317	0.8
267.15909	9.2
268.16187	0.6
269.17523	0.6
269.68845	0.6
275.16428	1.6
283.20630	0.5
287.18552	4.1
301.21658	0.6
311.20001	1.3
329.21078	5.0
330.21167	0.8
337.21652	1.1
347.22180	0.6
355.22687	3.0
357.24326	0.8
373.23819	1.2
403.24802	3.7
411.25409	1.4
421.25845	16.2
422.26276	1.9
429.26343	7.7
443.28073	0.7
447.27414	100.0
448.27762	10.6
461.28708	3.0
479.30023	4.2
489.28183	0.6
623.35205	0.5
726.36078	1.0
727.34100	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01876	7.9
55.05516	12.8
57.03439	7.5
57.07075	1.1
61.95731	0.8
62.39810	0.8
65.03939	1.9
67.05509	25.9
68.05827	0.8
69.03433	1.3
69.07073	18.8
71.01347	1.3
71.04984	3.8
71.61306	0.7
79.05500	30.2
80.05842	0.8
81.03414	7.1
81.07060	37.2
82.07392	1.7
83.04992	7.5
83.08615	5.0
85.02884	1.0
85.06550	1.9
86.09708	3.4
91.05484	30.0
92.05841	1.4
93.07047	28.6
95.01331	3.3
95.04979	6.8
95.08608	14.8
97.06535	18.3
97.10169	5.7
98.06885	0.9
105.07036	38.1
106.07343	1.1
107.04976	7.3
107.08592	20.7
108.73317	0.8
109.06524	5.7
109.10131	5.1
111.08077	3.2
117.07024	7.0
119.08581	18.4
121.06496	2.4
121.10136	8.1
123.04458	0.9
123.08082	2.1
123.11693	2.1
124.99998	3.0
125.09653	1.8
129.07014	1.4
131.08574	11.5
133.10136	21.9
135.08067	1.9
135.11705	20.7
137.09598	2.5
141.06969	1.0
143.08589	2.1
145.06476	1.7
145.10126	10.0
147.11691	8.5
148.11992	1.2
149.09628	4.8
149.13254	2.3
153.12764	1.6
155.08562	1.3
157.10152	2.2
159.11707	4.4
161.13261	3.1
163.11172	6.1
165.09026	1.1
171.11658	1.7
173.13202	1.6
177.12746	1.3
179.14304	4.9
181.12256	4.2
183.11688	1.3
184.07359	10.8
187.11166	1.2
201.12767	1.2
205.12204	1.1
209.13206	1.3
214.67259	0.8
229.08060	0.9
237.14835	1.4
247.20493	1.2
249.07745	1.0
255.15916	40.2
256.16214	3.5
257.18997	3.0
275.20065	43.3
276.20398	1.7
279.15784	1.9
282.74185	0.9
293.21011	1.9
349.23764	15.5
350.24026	0.9
505.21152	1.1
529.35266	100.0
530.35565	13.7
546.39294	1.2
547.36285	2.5
567.61951	0.9
616.76801	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	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03959	4.5
55.01859	1.7
55.05277	1.3
55.05518	17.4
57.03441	13.8
57.07074	3.4
57.83892	0.9
60.12430	0.8
61.02921	5.7
65.03938	3.2
67.05512	74.2
69.03433	2.1
69.06734	1.4
69.07076	20.5
71.04997	3.2
73.02909	2.1
75.07158	1.0
79.05500	47.0
80.05835	1.2
81.03418	2.8
81.07065	90.3
82.07399	1.8
83.04980	4.2
83.08626	16.3
85.02914	3.8
85.06530	3.0
87.76044	1.0
91.03941	2.1
91.05488	29.5
93.07051	58.8
94.07394	1.6
95.04996	4.6
95.08614	39.2
97.02902	3.4
97.06529	7.9
97.10167	2.1
105.04552	1.8
105.07040	14.4
107.07870	1.8
107.08604	32.3
109.06538	2.3
109.10169	14.8
111.08110	5.3
117.07021	8.0
119.08584	10.2
121.06477	2.2
121.10154	19.1
123.08110	1.3
123.11705	8.1
131.08574	12.7
133.10149	15.8
135.07980	1.1
135.11697	14.6
137.13274	2.3
145.10112	5.4
147.11700	4.5
149.13269	15.9
150.13562	1.0
151.11154	1.3
152.61235	0.8
159.11687	9.5
161.13264	3.6
163.14851	2.1
167.14342	0.9
169.10294	0.9
173.13277	3.7
175.14827	1.8
177.12733	3.6
177.16461	0.9
179.14371	1.1
187.14853	1.8
195.13795	12.8
201.16367	1.0
213.14902	2.2
219.95183	0.9
224.71252	1.0
243.21088	2.0
261.22128	11.8
267.16040	2.1
269.17502	80.4
270.17896	5.8
290.40396	1.1
317.24731	3.1
324.32703	0.9
335.25821	100.0
336.26263	8.7
437.34283	1.7
529.38934	98.6
530.39148	16.3
630.19702	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	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86417	1.0
53.03953	2.9
53.49512	1.0
55.01868	2.4
55.05517	10.4
57.03441	11.7
57.07081	2.1
61.02939	1.7
62.71730	0.9
64.50365	0.9
65.03943	2.1
66.41849	0.9
67.05510	58.4
68.05849	1.2
69.03419	1.0
69.07073	17.3
69.54974	1.9
69.55363	2.6
71.05007	4.3
73.02929	0.9
78.43223	0.9
79.05497	32.2
79.69707	0.8
81.03434	1.9
81.07062	68.7
82.07410	1.1
83.04971	4.4
83.08622	10.6
85.02920	2.3
85.06557	4.3
91.05483	17.6
93.07050	52.8
94.07370	1.2
95.04979	2.8
95.08607	32.6
97.02899	1.7
97.06541	8.4
97.10175	1.8
98.03176	0.9
99.08109	2.5
105.07033	9.7
107.08605	27.1
108.08936	1.3
109.06537	2.2
109.10155	9.3
111.08076	4.2
111.11711	1.4
113.09645	1.6
117.07018	7.7
119.08601	6.0
121.06503	0.8
121.10147	21.3
122.10497	1.1
123.11687	5.2
129.06946	0.8
131.08578	11.4
133.10144	8.7
135.08090	1.4
135.11682	11.5
137.13271	1.7
139.11200	2.0
145.10141	4.0
147.11719	4.1
149.13269	25.4
159.11710	11.9
160.12051	0.9
161.13263	3.7
163.14818	1.7
168.57701	0.8
173.13297	2.6
177.12762	3.2
184.07399	2.4
187.14807	1.3
192.33861	0.9
195.13799	9.9
213.14879	1.7
243.21164	2.9
261.22177	9.1
267.15942	3.0
269.17490	83.6
270.17886	4.8
272.31964	1.0
288.15063	0.9
317.24866	2.5
335.25815	60.4
336.26239	3.3
408.40921	1.0
437.34027	1.8
455.35132	1.7
529.38922	100.0
530.39215	15.9
547.39728	1.5
621.89050	0.9
623.78131	1.0
726.44226	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	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73331	1.3
53.03949	4.4
53.56248	1.3
55.01870	12.9
55.05515	37.1
57.03426	8.9
58.62906	1.6
59.05019	1.6
60.05640	1.9
63.94981	1.3
65.03951	3.2
67.05506	47.0
68.27776	1.3
69.03423	5.2
69.07071	20.7
71.04981	4.4
77.63647	1.5
79.05495	51.4
81.03423	14.1
81.07060	100.0
82.07381	3.1
83.04984	18.5
83.08624	21.3
85.02919	4.7
85.06522	4.4
86.09719	5.5
91.05481	30.7
93.07043	34.8
95.04966	23.6
95.08611	17.9
97.02876	1.5
97.06525	10.6
97.10168	25.0
99.04446	1.9
99.08072	2.8
105.04473	2.1
105.07025	25.7
107.04953	16.3
107.08592	27.0
108.08929	2.0
109.06528	14.1
109.10162	16.6
111.04445	15.8
111.08072	9.2
115.05432	4.3
116.06207	1.5
117.07037	14.2
117.42780	1.3
119.08595	28.9
121.06495	9.6
121.10139	15.8
123.08076	29.4
123.11734	1.8
125.00014	3.6
125.06011	2.6
125.09625	23.9
128.06218	2.3
129.06989	6.2
130.07747	1.6
131.08568	16.9
133.06491	4.2
133.10130	14.2
135.08121	7.2
135.11681	10.9
137.09639	8.0
141.06944	2.0
143.08559	8.9
143.10625	1.6
145.06433	3.2
145.10129	18.2
147.08064	12.0
147.11699	8.8
149.09615	10.4
149.13333	4.1
151.07571	1.5
151.11234	2.3
153.09149	4.5
153.12747	5.8
155.08545	3.5
157.10124	8.5
159.08061	4.3
159.11659	8.0
161.09624	12.9
161.13324	2.1
163.11180	19.8
164.11519	1.7
165.09132	5.9
165.12833	1.9
169.10178	2.5
171.10255	3.2
171.11694	5.4
173.09665	5.3
173.13257	2.8
175.11183	6.3
177.12772	4.0
181.10062	1.8
181.12247	10.1
184.07346	15.2
185.13226	2.7
187.11172	2.6
189.11220	24.1
191.10657	9.0
193.12236	4.3
198.13788	1.5
199.11351	1.7
203.10696	1.8
209.11687	1.7
213.12695	1.5
223.13342	8.1
227.12730	20.9
245.13907	2.0
245.18997	5.7
247.20143	1.5
249.14919	2.3
255.17456	5.9
267.15802	1.8
273.18500	52.1
274.18839	3.9
275.20056	2.2
283.15408	4.8
289.11249	1.8
291.19556	91.3
292.19910	6.0
309.20541	9.1
329.21234	1.8
347.22116	17.3
354.96640	1.7
365.23260	47.1
366.23547	3.7
383.24295	24.6
535.32159	2.3
564.41071	1.6
637.40869	6.2
655.42279	13.7
656.42316	2.4
673.42865	6.7
691.43781	3.6
726.40820	7.6
727.41412	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	727.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70422	0.7
67.05518	2.0
71.29949	0.7
73.20354	0.6
79.05510	1.5
81.03431	1.2
81.07073	1.2
83.08669	0.8
93.07072	1.5
97.02901	0.7
119.81937	0.8
121.10182	0.7
122.29079	0.7
177.01762	0.9
179.03284	0.8
184.07497	0.9
221.04236	13.6
223.05765	4.8
247.05864	0.9
265.06830	36.3
266.07391	1.0
267.15930	0.7
305.20914	1.5
323.20825	1.6
341.21942	2.0
352.50891	0.6
419.27814	1.3
421.25726	1.9
462.29825	0.8
468.60446	0.7
469.25598	1.3
485.24716	3.6
505.27859	3.7
511.26651	1.8
547.28894	7.6
548.28522	0.9
685.32483	1.7
691.30737	2.1
709.32172	1.5
727.33032	100.0
728.33282	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03951	0.9
55.01868	0.9
55.05511	2.0
57.03434	1.8
59.05008	0.8
59.79395	0.4
61.02932	4.0
65.03947	0.4
67.05510	4.5
69.03432	2.9
69.07072	0.9
71.01349	0.6
71.05009	2.0
73.02920	3.3
79.05502	4.5
81.03419	5.4
81.07062	3.4
82.07422	0.4
83.01374	0.7
83.04982	1.8
83.08642	1.9
84.85067	0.4
85.02914	5.3
87.04502	0.6
91.03962	2.2
91.05478	4.9
91.05920	0.4
92.05829	0.5
93.07047	3.5
94.07375	0.5
95.04983	2.1
95.08615	1.8
97.02888	4.3
97.06577	0.9
98.03196	0.4
98.22587	0.9
99.04488	1.1
99.08121	0.6
101.02405	1.5
105.07044	4.4
107.04973	1.6
107.05692	0.4
107.08581	2.1
109.02935	1.1
109.06526	1.3
109.10169	2.2
111.08031	0.6
117.07043	1.0
119.08617	2.2
121.06541	1.1
121.10141	2.1
123.08085	0.7
125.05938	0.4
125.09647	0.6
127.03957	1.5
129.07047	0.7
131.08583	1.8
133.10139	1.4
135.11734	1.0
145.10205	1.3
147.08101	0.4
147.11719	1.0
149.09686	1.3
157.10236	0.6
163.11177	2.3
175.11243	0.9
184.07414	1.0
185.04126	0.4
193.12315	1.3
209.11661	0.4
219.63483	0.4
220.14351	0.4
229.33328	0.4
243.08427	2.2
267.15985	0.9
268.16260	0.8
283.15302	3.0
311.15237	0.5
337.76395	0.4
339.18088	0.7
403.79370	0.4
421.26196	0.5
422.26208	1.0
426.64349	0.5
447.27170	2.2
448.27780	3.8
448.32437	0.4
449.28183	0.4
450.66449	0.4
461.29257	0.5
467.18875	7.7
468.19421	0.6
469.20380	0.5
501.23099	7.5
502.23450	0.5
623.35083	0.3
695.33398	0.6
696.56702	0.4
709.34241	0.6
727.35046	100.0
728.35339	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	727.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01860	0.5
55.05513	1.4
57.03434	2.1
59.05003	0.8
61.02928	3.7
67.05511	4.6
69.03426	2.2
69.07067	1.6
69.57139	0.4
70.43787	1.1
71.01395	0.4
71.04998	2.1
72.45847	0.4
73.02922	2.0
79.05490	4.9
81.03420	6.2
81.07056	5.3
83.04990	1.4
83.08628	2.4
84.05331	0.4
85.02915	3.6
85.06564	0.7
87.04491	0.4
91.03968	1.8
91.05492	4.3
92.05831	0.8
93.07048	4.4
94.07382	0.5
95.04987	3.1
95.08604	2.7
96.36346	0.3
97.02907	2.9
97.06549	1.4
97.10265	0.4
99.04465	0.5
101.02397	1.2
102.33802	0.3
103.03940	0.4
105.07051	2.4
107.04974	1.6
107.08618	2.6
108.05257	0.4
109.06565	1.1
109.10184	1.6
110.06930	0.4
111.04424	0.4
111.08076	0.6
117.07022	0.9
119.08583	2.1
121.06522	1.0
121.10151	2.6
123.08090	0.4
125.09619	0.5
127.04000	0.7
129.07018	1.0
131.08606	1.3
133.10118	1.9
135.08121	0.4
135.11742	2.2
136.31827	0.4
145.10172	1.4
147.11722	1.0
149.09663	2.1
157.10153	1.2
163.11194	3.1
164.11523	0.4
175.11232	1.1
181.12282	1.0
184.07457	1.2
185.04362	0.4
189.12840	0.4
193.12299	1.3
194.72145	0.4
209.12126	0.3
227.12767	2.7
243.08441	2.4
249.10959	5.1
267.15979	1.6
268.16470	0.9
283.15329	1.9
305.13727	1.3
339.17883	0.5
435.27286	0.5
436.27774	0.6
447.27448	1.1
448.27896	2.2
461.29144	1.4
462.29373	3.4
467.18893	9.1
468.19504	1.0
469.20651	0.7
480.30014	0.9
483.22375	0.5
501.23068	10.8
502.23370	1.2
595.14227	0.4
629.35162	0.5
660.97992	0.4
727.35101	100.0
728.35449	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	728.449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40602	0.3
54.69529	0.3
55.05499	0.9
56.05033	0.6
58.06604	0.6
60.08166	6.0
67.05504	1.7
69.07069	0.4
71.07377	3.6
71.08621	0.5
71.29799	0.6
79.05487	1.3
81.03389	0.4
81.07057	1.7
83.08617	0.6
86.09708	31.4
87.10051	0.6
91.05482	1.3
93.07040	1.0
95.05006	0.4
95.08607	0.9
97.10183	0.4
98.98463	3.5
99.08076	0.4
104.10747	3.5
105.07027	0.4
107.08592	0.6
109.10146	0.6
119.08589	0.7
125.00009	21.1
135.08049	0.3
145.10107	0.5
163.11209	0.5
163.54953	0.4
184.07349	100.0
185.07693	1.6
193.12190	0.6
227.12662	0.4
280.57260	0.3
293.20999	0.4
335.25821	0.5
480.06766	0.4
545.38397	0.5
575.35822	0.4
728.44952	9.5
729.44849	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	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
56.05042	0.6
56.68021	0.2
58.06355	0.3
58.06609	0.5
59.55235	0.2
60.08166	7.0
67.05510	1.4
69.07060	0.3
71.07379	4.9
75.11375	0.2
75.96700	0.2
79.05495	0.7
81.07069	1.3
81.37883	0.2
86.09708	30.8
87.10059	0.7
91.05484	0.3
93.07050	1.1
95.04952	0.4
95.08617	0.6
98.98458	3.7
104.10754	2.3
107.04980	0.2
107.08610	0.7
109.10143	0.6
109.64516	0.2
111.80066	0.2
119.08578	0.3
121.10201	0.3
125.00006	21.4
131.08546	0.3
135.11703	0.5
145.10114	0.3
163.37010	0.2
184.07346	100.0
185.07756	1.7
190.64229	0.3
192.42787	0.2
229.07538	0.2
335.25745	0.2
395.04581	0.2
728.44824	4.0
729.44342	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	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01872	3.3
55.05281	1.6
55.05519	21.5
55.63993	1.3
57.03444	19.0
57.07080	4.1
60.46203	1.4
61.02935	9.9
65.03945	6.3
65.22891	1.3
67.05511	100.0
68.05845	1.4
69.03434	10.9
69.07066	20.1
71.01344	3.7
71.04998	6.4
71.09122	2.3
73.02927	3.9
77.20674	1.3
78.18404	1.3
79.05502	62.1
81.03424	13.6
81.07062	82.5
82.07388	1.4
83.04982	8.9
83.08617	11.1
85.02908	11.8
85.06532	4.5
86.09693	1.9
91.03969	4.3
91.05487	57.5
92.05796	1.5
93.07050	57.5
95.04981	24.2
95.08614	55.8
96.08928	2.5
97.02895	7.0
97.06536	5.9
97.10178	3.7
99.04454	5.5
105.07033	32.6
107.04959	2.5
107.08601	28.9
109.06529	6.1
109.10167	30.0
111.08101	2.6
113.09703	2.6
117.07040	11.8
119.08591	24.3
120.34309	1.3
121.06620	1.6
121.10156	22.6
123.08080	3.4
123.11700	6.7
125.09687	1.8
128.06224	3.5
129.07047	1.8
131.08574	13.2
133.10149	26.2
135.08069	3.0
135.11696	13.3
137.09605	6.9
139.11195	2.2
143.08589	5.0
145.10120	8.6
147.11710	7.5
149.09679	2.1
149.13295	4.4
151.11205	7.9
157.10204	1.4
159.11702	5.8
161.09647	9.2
161.13297	4.8
163.11215	1.7
163.14812	4.3
173.13298	4.7
179.10652	9.5
184.07289	2.2
197.11786	6.4
213.15033	1.8
242.31038	1.5
243.21077	5.1
253.14337	5.3
261.22177	16.9
271.15417	76.6
272.15701	5.1
317.24820	2.1
335.25824	83.7
336.26196	7.4
361.29285	1.4
421.31161	1.8
439.32010	2.0
457.33127	2.1
489.35715	5.0
513.35632	5.1
531.36755	38.2
532.37067	4.8
549.38293	1.6
628.06738	1.7
689.04803	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	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.0
55.01873	7.6
55.05515	30.8
57.03433	23.3
57.07085	5.3
60.08169	8.5
61.02932	6.6
65.03953	3.7
67.05505	86.2
69.03425	5.5
69.07069	33.6
71.04993	9.2
79.05492	83.5
80.05845	4.0
81.03410	9.3
81.07063	63.2
83.04990	17.0
83.08624	14.4
85.06552	7.0
86.09706	32.0
91.05484	77.9
93.07050	94.9
93.60001	3.5
94.07390	5.6
95.04993	7.8
95.08601	34.4
97.06519	18.3
97.10171	16.5
98.22610	7.7
98.98436	4.9
99.08094	5.7
103.05470	4.7
105.07030	79.6
107.04939	6.5
107.08593	67.9
109.10151	22.6
113.09698	3.7
115.05422	4.7
117.07021	24.8
119.08578	68.4
121.06528	5.8
121.10127	24.7
123.08150	5.1
123.11783	4.2
124.99986	25.8
125.05996	5.2
125.09677	7.7
129.07048	10.7
131.08575	27.9
133.10141	53.8
134.94452	3.9
135.08083	4.2
135.11707	73.8
143.08559	12.9
145.10100	28.0
147.11682	48.0
149.09608	4.5
149.13249	11.1
151.11147	6.9
153.12762	6.8
157.10114	10.8
159.11681	20.9
161.13277	33.5
163.11220	18.0
167.08839	3.5
171.11673	16.9
173.13298	16.3
175.14789	11.6
181.12218	32.9
184.07356	100.0
185.13307	13.8
187.14787	5.7
199.14795	5.9
227.12788	6.4
234.36111	4.0
241.19484	38.3
253.14357	12.4
255.15901	98.4
256.16162	5.1
259.20596	97.9
260.20905	5.4
287.26749	3.8
315.23111	9.1
333.24274	48.5
349.24313	3.8
421.31006	6.3
513.35779	71.3
514.35999	9.9
531.36652	25.4
532.36652	4.2
728.44568	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	728.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01864	0.4
55.05510	3.5
56.05035	1.0
57.03440	2.1
57.07060	1.3
57.24849	0.4
58.06620	0.4
60.07888	0.7
60.08167	8.1
61.02929	0.7
67.05505	13.5
69.03420	0.5
69.06726	0.5
69.07072	5.7
71.04979	0.6
71.07375	4.5
71.27374	0.4
76.46568	0.4
78.72748	0.4
79.05497	5.5
81.03414	0.5
81.06589	0.9
81.07063	16.3
83.04990	0.9
83.08606	3.5
85.06546	0.9
86.09710	33.4
87.10034	1.2
91.05468	3.0
93.07046	7.4
95.08601	6.7
97.06520	1.3
97.10185	1.1
98.98466	3.8
99.08080	0.7
104.10765	2.4
105.07018	2.1
107.08581	4.4
109.10149	3.5
111.08079	0.6
117.07040	1.0
119.08582	1.3
121.10146	3.2
123.08033	0.4
123.11720	0.9
125.00010	23.6
131.08546	0.7
133.10144	1.8
135.08058	0.5
135.11679	1.6
145.10075	0.6
147.11682	1.0
149.13228	3.0
159.11713	1.4
172.37109	0.4
173.11626	0.4
184.07349	100.0
185.07701	2.0
195.13828	1.2
201.49969	0.4
229.14330	0.9
262.08365	0.5
263.23987	0.6
269.17490	7.6
313.27451	0.5
337.27353	8.1
338.27808	0.6
488.15311	0.4
531.40503	16.4
532.41040	2.2
574.71436	0.4
728.48718	4.5
729.48871	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	728.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.1
57.03432	7.3
57.07068	7.4
57.48555	3.4
60.08163	4.7
67.05502	74.5
69.01197	30.9
69.03465	3.3
69.07064	27.0
71.05012	5.0
71.07380	5.3
79.05487	30.7
81.07055	73.8
83.04978	5.1
83.08622	14.4
85.02866	4.0
85.06552	5.6
86.09703	39.7
91.05495	24.5
93.07047	40.4
95.08602	44.3
97.06551	9.5
97.10133	4.2
98.22572	7.7
105.07021	12.1
107.08585	23.7
109.10140	11.2
111.08075	8.9
117.07044	3.9
119.08582	6.1
121.10126	14.7
125.00043	24.2
125.76408	3.3
131.08546	5.8
133.10147	7.6
134.49504	3.7
135.11671	7.3
138.68640	3.5
145.89047	4.0
147.11676	5.4
148.30750	3.5
149.13220	17.3
153.08372	3.2
159.11687	5.3
165.87187	4.1
184.07347	100.0
195.13776	5.9
269.17477	53.0
337.27332	54.0
517.58484	4.0
531.40430	85.8
532.40906	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	728.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92514	4.4
53.03953	7.2
55.05508	24.3
57.03448	11.9
60.60817	4.4
61.02914	6.2
63.96045	5.3
67.05509	83.3
69.03416	4.6
69.07074	38.2
71.04974	4.5
71.08634	6.4
79.05508	34.8
81.07063	100.0
81.35217	4.2
83.08618	16.4
85.02920	11.8
86.09704	13.1
91.03966	6.4
91.05496	27.4
93.07055	45.1
95.08612	54.1
97.02920	11.1
97.06519	7.7
97.10189	7.3
98.09108	4.5
105.07018	17.4
107.08608	29.2
109.10160	20.4
111.08135	6.8
114.87105	5.0
119.08595	7.8
121.10158	15.9
123.11728	9.1
124.99955	7.4
131.08607	8.5
133.10144	18.0
135.11699	11.0
149.13264	17.8
151.76454	4.5
159.11687	8.8
184.07352	37.2
195.13786	9.5
227.56155	4.3
269.17526	75.0
305.17361	4.5
305.86871	4.2
337.27365	71.1
338.27704	7.3
375.96185	5.0
531.40515	91.9
532.40607	19.4
729.41888	62.9
744.28113	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	729.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
57.03448	0.9
61.02924	3.5
67.05505	4.0
69.03423	1.6
71.04998	1.4
73.02905	1.4
79.05502	2.1
83.08608	0.8
85.02909	3.1
91.03963	2.2
91.05485	3.8
93.07064	2.7
95.04999	1.2
95.08579	1.4
97.02898	2.4
97.06535	0.7
99.04485	0.8
101.02428	0.8
105.07069	1.4
107.05022	0.7
107.08581	0.8
109.02892	0.8
109.06582	0.6
109.10211	1.5
111.08102	0.7
117.06979	1.2
119.08631	1.1
120.30595	0.7
121.10184	1.0
127.03941	1.2
128.22157	0.6
130.87939	0.6
131.08598	0.9
131.70464	0.6
133.10201	1.4
135.11697	1.0
147.11652	0.8
186.40630	0.5
191.57727	0.5
195.13940	0.5
202.84319	0.5
203.05217	0.7
243.08394	1.4
248.29562	0.5
283.15402	0.8
301.08978	1.2
413.17725	1.3
439.19617	0.7
453.21216	0.9
455.62207	0.7
467.19052	1.3
469.19800	0.7
485.24161	1.4
501.22784	1.2
541.26379	0.7
599.33923	2.0
625.32031	12.1
626.32788	1.9
651.33435	1.2
683.35803	2.1
711.35620	2.5
727.33899	0.9
729.35059	100.0
730.35260	15.1
759.50317	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	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
54.24263	0.3
55.01874	0.6
55.05516	0.6
57.03428	1.3
60.51490	0.3
61.02922	3.6
61.67992	0.3
67.05517	2.1
69.03426	1.8
71.01373	0.4
71.04993	1.1
73.02923	2.9
79.05495	2.5
83.04996	0.9
83.08629	1.3
85.02911	4.9
87.04500	0.4
90.11117	0.3
91.03967	2.0
91.05479	2.9
93.07030	1.8
95.04956	1.8
95.08617	1.2
97.02886	3.0
97.03333	0.3
97.06506	0.6
99.04478	0.5
101.02404	1.2
102.22643	0.3
103.03941	0.4
105.07021	1.9
107.04980	0.7
107.08617	0.6
109.02876	0.6
109.06578	0.5
111.08093	0.8
119.08559	1.9
121.10173	1.4
123.08081	0.8
127.03928	0.8
129.05484	0.5
129.07042	0.5
131.08603	1.2
133.10147	1.3
137.06038	0.3
147.11749	1.8
149.09637	1.4
157.10117	1.5
160.40170	0.3
175.11252	1.3
178.07169	0.3
185.04398	0.4
193.12286	1.9
211.13268	0.6
229.95569	0.4
243.08458	1.7
251.12617	1.1
267.15994	0.9
282.05505	0.3
283.15161	2.7
307.15347	0.4
339.17944	0.6
350.61639	0.3
354.25519	0.4
443.20999	0.4
469.20529	8.1
469.26520	0.3
470.21042	0.6
474.94833	0.3
501.22971	8.4
502.23511	0.5
729.36639	100.0
730.36963	14.4
755.87775	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	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01880	0.6
55.05512	1.7
56.27740	0.3
57.03431	2.6
59.05017	0.5
60.01509	0.3
60.45754	0.3
61.02929	4.8
67.05508	3.7
69.03429	4.1
69.07076	1.0
69.56499	1.6
71.01367	0.6
71.05004	1.5
72.29626	0.3
73.02914	4.1
73.05206	0.3
77.80117	0.3
79.05492	4.5
83.04981	1.8
83.08624	1.3
85.02908	6.0
85.06580	0.4
87.04478	0.8
87.46813	0.3
91.03959	4.0
91.05486	5.0
91.06008	0.4
93.07040	2.8
95.04973	2.4
95.08631	1.8
97.02892	4.6
97.06571	1.0
97.10184	0.4
98.22647	0.5
99.04485	1.3
101.02383	1.9
103.03958	0.8
105.07022	3.7
105.07556	0.3
107.04992	1.1
107.08622	1.1
109.02901	0.8
109.06553	0.8
109.10165	0.9
111.04484	0.5
111.08139	0.4
115.03963	0.4
117.07070	0.4
119.08588	2.8
121.06544	0.4
121.10136	2.4
123.08111	0.7
123.11761	0.5
127.03934	1.1
129.07069	1.4
131.08540	2.3
133.10152	2.8
135.08075	0.4
142.07765	0.4
147.08122	0.4
147.11684	3.1
147.12630	0.3
149.09621	2.0
151.11206	0.5
152.47786	0.4
157.10126	2.1
163.11201	0.4
163.52707	0.3
165.12709	0.4
167.10814	0.4
175.09914	0.4
175.11145	2.1
185.04263	0.5
193.12257	2.4
203.05405	0.5
211.13344	0.8
217.68712	0.4
243.08456	3.0
251.12569	3.7
251.14636	0.3
267.16101	1.0
281.27713	0.4
283.15167	2.3
285.17050	0.6
301.09113	0.4
307.15393	1.1
318.35034	0.3
339.18115	0.5
413.17621	0.5
467.19031	0.6
469.20438	16.6
470.21069	1.2
496.36328	0.4
501.23035	6.1
531.11023	0.4
543.38885	0.4
567.32043	0.5
639.30359	1.3
697.34015	7.6
698.34827	1.0
711.32660	1.3
729.36798	100.0
730.18536	0.4
730.37207	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	729.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.3
57.61397	1.1
57.70177	1.0
61.02940	4.7
67.05520	6.1
69.03446	2.6
69.92211	4.4
71.04994	6.3
73.02928	3.9
79.05518	2.7
83.08641	1.4
85.02924	4.7
91.03973	1.7
91.05515	4.3
93.07057	1.7
95.05078	1.4
95.08635	2.0
97.02927	3.0
97.06565	1.7
105.07068	1.7
107.08616	2.3
113.05984	1.3
117.07106	1.2
123.11711	1.6
127.03950	1.5
133.10168	3.2
138.46721	1.2
215.67534	1.0
243.08461	2.1
267.15790	2.7
453.21222	1.4
485.23627	17.1
729.40338	100.0
730.40942	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	730.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05040	0.8
57.03423	0.2
58.06620	0.6
60.08168	6.2
67.05504	1.7
69.07060	0.4
69.18959	0.6
69.19370	0.2
71.04979	0.2
71.07380	3.6
74.08508	0.1
78.65680	0.1
79.05490	0.8
81.03404	0.3
81.07063	1.4
83.04980	0.2
83.08598	0.2
85.02931	0.1
85.26269	0.1
86.09709	31.1
87.10022	0.7
91.05482	0.9
93.07052	1.1
95.04947	0.2
95.08609	0.9
97.06516	0.2
98.98472	3.4
104.10741	2.5
105.07028	0.4
106.07342	0.1
107.04961	0.2
107.08596	0.7
109.06512	0.1
109.10152	0.5
117.07083	0.2
119.08610	0.5
121.10135	0.6
123.11803	0.2
125.00009	20.2
126.00368	0.1
131.08539	0.2
133.10124	0.5
135.11681	0.5
143.01021	0.3
143.08583	0.1
145.10199	0.2
147.11699	0.1
151.11214	0.2
157.10165	0.2
157.30875	0.1
159.11711	0.2
161.13377	0.1
184.07350	100.0
185.07689	1.6
255.15889	0.2
261.22147	0.2
271.15540	0.1
273.16824	0.2
335.25815	0.4
392.70389	0.1
489.36044	0.4
515.37018	0.3
533.38409	0.8
534.39221	0.2
730.46643	3.9
731.37781	0.2
731.46985	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	730.465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38493	0.1
54.29855	0.1
55.05494	0.2
56.05035	0.8
57.03447	0.2
58.06624	0.4
59.07380	0.1
60.08165	5.3
61.08494	0.1
63.84698	0.1
67.05513	0.8
69.57550	0.5
70.06564	0.2
71.06986	0.2
71.07375	3.4
79.05493	0.5
81.03407	0.2
81.07053	0.7
82.75215	0.1
83.08621	0.2
86.09705	29.2
87.10033	0.5
91.05483	0.4
93.07043	0.5
95.04952	0.2
95.08600	0.5
97.48185	0.1
98.22585	0.2
98.98465	3.8
104.10745	2.2
105.07029	0.3
107.08600	0.1
107.86487	0.1
109.10153	0.2
117.07067	0.1
119.08610	0.2
121.10189	0.2
122.93425	0.1
125.00005	20.5
126.00360	0.1
133.10121	0.4
135.11736	0.1
143.01062	0.2
147.11632	0.1
183.70605	0.1
184.07341	100.0
185.07707	1.9
248.26926	0.1
255.16241	0.1
271.15128	0.2
335.25711	0.2
468.23022	0.1
489.36041	0.2
533.37854	0.2
730.46753	3.7
731.47174	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	730.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.04271	0.5
55.01862	0.6
55.05513	5.2
56.05028	1.2
57.03436	4.6
57.07064	0.7
58.06611	0.6
60.08168	6.9
61.02921	0.8
67.05506	27.4
68.05827	0.8
69.07066	5.9
71.01358	0.7
71.04977	1.9
71.07370	3.9
71.08627	0.5
71.28272	0.9
73.02921	0.6
75.35217	0.5
79.05491	15.3
81.03416	1.9
81.06588	0.8
81.07059	14.6
82.07368	0.5
83.04990	2.5
83.08618	3.1
85.02909	1.6
85.06549	1.3
86.09708	32.0
87.04441	0.4
87.10014	0.9
91.04971	0.9
91.05482	8.7
93.07048	16.2
94.07358	0.5
95.04969	2.0
95.05546	0.5
95.08610	10.7
97.02910	1.0
97.06533	3.2
97.10173	1.4
98.98464	4.1
99.08075	1.1
104.10742	2.2
105.04523	0.6
105.07034	5.1
107.04972	0.5
107.08600	10.5
108.08918	0.6
109.06511	0.8
109.10162	11.3
109.10899	0.6
111.08084	1.2
117.07006	2.1
119.08577	4.4
121.06503	0.7
121.10126	6.1
121.94904	0.5
123.11726	1.4
124.99075	1.0
125.00004	19.9
130.91335	0.5
131.08562	2.0
133.10144	3.5
135.11694	10.4
137.09602	1.5
137.13249	0.8
143.08583	0.6
145.10117	4.4
147.11716	1.2
149.13277	1.4
155.10608	0.5
159.11731	0.8
161.13312	0.6
163.11176	2.6
163.14836	0.6
173.11768	2.6
173.13078	0.7
181.12253	2.1
184.07347	100.0
185.07660	2.2
187.14784	0.7
199.13278	0.9
203.10097	0.5
214.64911	0.4
227.12776	0.7
229.14348	5.9
243.21144	0.7
248.02214	0.5
255.15909	11.5
256.16278	1.0
261.22272	2.4
262.22415	0.5
273.16977	8.2
275.19971	0.7
329.32343	0.6
335.25818	16.1
336.26215	1.9
471.35461	0.6
489.35782	17.4
490.35974	2.6
515.37170	2.7
533.38367	10.5
534.38293	1.4
628.72510	0.5
730.46594	4.0
731.40491	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	730.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.28697	0.7
55.01877	1.5
55.05515	7.5
56.05021	0.8
57.03433	6.2
57.07085	1.1
59.04993	1.0
60.08162	6.6
61.02919	1.9
61.89178	0.7
65.03942	1.4
65.33113	0.7
67.05506	46.4
68.05821	1.0
69.03419	1.4
69.07066	8.6
71.01357	0.8
71.04980	2.8
71.07377	5.0
71.08626	0.7
79.05493	23.7
81.03415	2.8
81.07054	29.4
82.07396	1.4
83.04974	5.9
83.08619	5.5
85.02892	2.8
85.06533	2.8
86.09708	34.7
91.05482	14.2
92.05822	1.1
93.07043	28.6
95.04954	3.3
95.08607	19.9
96.22272	0.7
97.02895	0.7
97.06525	5.0
97.10149	1.9
97.14720	0.8
98.98455	4.7
99.04476	0.8
99.08103	1.3
104.10771	1.4
105.07029	7.4
105.64817	0.7
107.04939	1.5
107.08598	16.8
108.08865	0.8
109.06510	1.8
109.10160	22.4
111.08049	2.2
113.09673	1.3
117.07016	5.0
119.08577	10.0
121.06495	1.0
121.10150	8.3
123.11709	1.7
125.00008	25.0
125.09583	1.1
131.08585	4.2
133.10124	4.9
135.08041	1.0
135.11699	19.9
137.09590	2.6
143.07159	0.7
145.10110	6.8
147.11682	2.6
149.13228	2.0
151.11234	1.3
155.10710	0.9
157.10136	0.9
159.11705	2.0
161.13269	1.9
162.98308	0.6
163.11159	4.2
163.14804	1.2
165.12743	1.4
170.01106	0.8
173.11739	6.2
173.13292	1.7
181.12238	6.3
184.07343	100.0
185.07722	2.0
187.14880	0.8
199.13310	3.1
227.12816	1.4
229.14345	12.6
243.21158	2.1
255.15967	11.9
261.22134	4.6
271.15576	0.8
273.16956	22.9
273.19772	1.6
274.17139	1.6
275.20053	1.0
287.23590	1.4
317.24829	1.1
335.25797	20.7
336.26022	1.5
343.38916	0.7
394.54599	0.7
475.34274	1.0
489.35733	27.3
490.35904	2.4
515.37274	3.5
533.38361	16.4
534.38605	2.2
545.38025	0.8
563.39484	1.6
730.46521	5.6
731.40527	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	730.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
53.81325	2.3
55.01870	11.7
55.05513	42.6
57.03443	7.7
57.07074	6.9
60.08183	5.6
65.03938	3.9
67.05502	42.2
69.03432	5.0
69.07071	16.4
70.06588	10.9
71.05003	3.4
71.07346	3.2
71.08644	16.3
79.05498	40.6
81.03412	8.4
81.07058	37.2
83.04992	16.2
83.08630	28.2
86.09710	27.1
86.80867	2.5
88.07635	11.3
91.05488	26.4
93.07049	32.0
95.04968	37.7
95.08615	16.3
97.06532	5.6
97.10167	33.6
98.98482	3.2
99.04485	3.2
99.08102	13.2
102.09185	8.7
105.04479	3.1
105.07037	17.5
107.04934	19.4
107.08589	23.3
109.06551	3.7
109.10141	11.9
111.04462	11.0
111.08084	11.0
117.07034	12.2
119.08586	15.3
121.06516	4.9
121.10163	15.7
123.08103	3.3
125.00014	23.2
125.09599	21.4
129.07021	5.2
131.08597	12.3
133.10149	10.5
134.41359	2.4
135.08032	5.6
135.11725	9.8
137.09593	3.4
143.10664	2.3
145.10124	10.6
147.08121	3.6
147.11710	7.1
149.02365	34.1
149.03456	5.0
149.09645	8.9
149.13223	4.0
151.11194	6.2
153.09100	12.5
155.08571	5.4
159.11685	7.6
161.09619	7.9
163.11176	27.1
165.12762	10.5
167.10703	2.8
173.09615	3.8
175.11292	3.6
177.12808	10.0
181.12297	2.8
184.07333	84.2
185.07701	3.6
187.11095	3.8
189.11211	22.7
191.10750	3.0
191.14253	3.2
193.04974	13.6
193.12303	3.9
195.13806	5.7
223.13318	10.3
227.12784	19.1
247.20569	6.2
257.18921	3.4
269.17545	3.1
275.20053	43.1
276.20438	3.0
284.29486	25.5
293.21097	100.0
294.21591	6.2
311.22348	5.9
331.22610	3.0
334.32968	2.7
349.23654	23.4
365.23187	3.9
367.24774	45.6
385.25800	17.6
403.10223	6.1
429.11615	10.8
473.14474	11.4
537.34552	3.7
633.39270	3.1
641.43811	9.1
659.45062	18.2
677.45966	8.7
695.47375	4.0
730.41559	47.2
731.42340	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	730.569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.2
57.07078	28.4
60.04514	8.0
65.64046	1.6
67.05505	7.5
69.07076	9.9
71.08638	32.9
71.57449	1.9
73.06554	8.0
79.05507	5.5
81.03458	1.9
81.07049	9.0
83.08640	8.3
85.10183	18.8
86.09704	4.9
87.04481	9.5
87.04925	1.5
89.06034	100.0
91.05482	3.7
93.07056	5.7
95.08622	6.9
95.85800	1.4
97.10168	6.3
98.23364	4.3
99.11738	2.4
105.07027	4.0
107.07088	2.0
107.08624	2.6
109.10158	2.6
111.11766	1.7
113.13315	2.1
117.07058	1.8
117.09161	4.7
121.10189	2.7
122.22613	1.6
125.13304	2.3
130.08607	1.8
131.07068	2.6
133.08611	53.4
133.10136	2.3
135.11711	1.8
141.16446	1.8
175.09703	2.4
177.11238	19.6
180.87436	2.0
184.07370	16.7
211.24165	1.8
221.13824	3.8
260.23688	3.4
261.22144	1.9
272.25967	2.0
278.24872	3.8
299.29425	4.4
343.32022	2.8
532.20984	1.9
532.47046	2.0
550.48352	15.2
551.48114	1.7
568.49408	8.5
713.54224	1.9
730.42145	2.4
731.43341	4.0
740.90625	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	731.1604
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
53.03934	1.4
55.01869	1.7
59.28774	0.5
65.03945	1.2
67.01883	0.5
67.05487	0.6
68.99788	5.2
69.13544	1.3
69.13960	3.1
77.03938	1.6
79.01828	0.6
79.05478	0.9
81.03400	3.0
89.03920	1.6
90.60787	0.4
91.05465	0.5
92.95235	0.4
93.03403	1.0
95.04974	1.2
97.02897	0.6
99.04459	1.5
105.03394	0.7
107.04992	4.0
109.02878	3.7
111.00810	3.2
111.04436	3.2
115.05466	0.7
117.03424	1.0
119.04969	1.1
121.02884	2.5
123.04434	83.3
124.04774	2.3
127.03922	100.0
128.04257	2.0
129.07039	0.8
130.28595	0.5
131.04913	1.6
135.04422	31.7
136.04778	1.2
137.02361	4.4
137.06029	0.5
139.03905	43.4
140.04211	0.7
141.07039	1.1
143.03365	0.5
143.04912	1.0
145.02898	0.7
145.06534	0.5
147.04405	6.2
149.02348	5.1
149.05978	1.4
151.03918	15.5
152.04346	0.8
153.01839	10.5
153.02933	0.4
155.04932	1.0
157.06480	0.9
159.04416	3.5
161.05945	2.8
163.03908	36.6
164.04297	1.0
165.05475	3.8
167.03407	9.1
168.03914	0.7
169.06516	1.9
171.04454	0.8
173.05991	4.4
175.03891	4.0
175.07553	1.0
177.05510	4.1
179.03418	4.9
181.06480	1.1
183.04442	1.2
185.05931	1.1
187.03870	5.7
189.05469	3.8
191.03389	13.6
193.04996	4.6
197.05969	3.8
201.05464	9.7
203.03400	11.1
203.05347	0.6
203.07071	2.0
205.05022	2.1
211.03848	0.6
213.05472	1.5
215.03464	1.7
215.06905	2.4
217.04961	2.3
225.05505	1.6
227.03120	0.5
227.06979	0.8
229.04962	7.1
231.06493	1.6
233.04471	6.3
237.05540	0.6
241.04948	1.5
243.06558	4.9
245.04498	7.4
246.04642	0.7
247.06030	19.7
248.06448	1.4
251.05545	1.5
253.04953	1.4
255.06519	2.0
257.04462	10.1
258.04941	1.0
259.06000	8.1
260.06262	0.6
261.07666	0.8
265.05087	1.2
269.04471	6.6
271.06021	19.4
272.06326	1.2
273.07602	6.2
275.05515	15.7
276.05801	0.8
283.06009	7.0
285.07538	1.2
287.05496	22.9
288.05911	1.8
289.07053	11.5
290.07196	0.7
291.08597	3.2
295.05994	0.8
297.07571	1.4
299.05609	3.3
301.07089	11.5
302.07693	0.9
346.38986	0.6
379.08350	1.1
391.08279	2.9
393.09518	2.5
409.09158	23.2
410.09299	2.5
411.10867	0.9
421.09134	2.5
427.10297	2.2
435.10541	0.8
443.09744	1.0
579.11133	1.1
682.18060	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	731.1604
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin-3-O-gallate
Peak:m/z	Relative Intensity
51.02377	1.1
55.01862	1.0
64.92622	0.4
67.05484	0.4
68.99795	2.6
77.03907	0.3
79.01845	3.8
81.03402	0.3
81.18887	0.4
91.05509	0.4
93.03380	0.7
95.04979	0.5
97.02888	0.6
98.22598	1.2
105.03344	0.6
107.01318	1.3
107.04971	0.5
109.02838	0.8
111.00803	1.1
111.04436	1.0
115.05450	0.4
119.04955	1.2
123.04431	23.6
125.02338	2.5
127.03916	9.7
127.04621	0.2
128.04225	0.5
131.04932	1.4
135.04404	5.0
137.02362	1.3
139.03905	15.1
140.04253	0.7
141.07008	0.6
143.03400	4.4
143.04565	0.4
143.04932	0.3
145.06520	0.6
147.04405	3.8
149.02377	0.6
149.05992	0.4
151.03915	13.1
153.01830	100.0
153.02844	4.7
154.02161	4.2
155.04910	0.5
157.06479	0.5
159.04428	1.6
161.05945	2.0
163.03918	10.7
163.07578	0.4
164.04414	0.4
165.05557	1.9
167.03384	1.0
167.04872	0.4
169.06491	0.9
171.04361	0.5
173.05946	2.4
175.03860	2.1
175.07602	0.4
177.05501	1.4
179.03406	3.7
179.07007	0.9
181.06480	1.2
183.04425	0.7
185.05975	1.3
187.03888	4.1
189.05467	1.4
191.03424	2.2
193.04910	1.9
197.05981	3.0
201.05540	2.0
202.06252	0.4
203.03392	3.2
203.07024	1.1
205.05023	1.1
207.06554	2.5
209.06007	0.7
211.13155	0.4
213.05467	2.8
215.03360	0.6
215.07022	1.2
217.04890	2.1
225.05522	1.2
227.07124	0.5
229.05025	3.1
231.06636	0.7
232.14798	0.3
233.04442	1.0
237.05515	0.7
241.04950	3.1
243.06564	1.1
245.04407	2.7
247.05995	8.8
248.97705	0.3
253.04950	1.5
255.06540	1.6
257.04529	1.9
259.06018	22.8
260.06357	1.4
265.04980	0.8
269.04434	0.7
271.06012	38.1
272.06421	2.2
273.07632	0.6
275.05466	2.3
283.05991	9.8
284.06366	0.7
287.05502	10.6
288.05881	0.6
289.07117	2.8
291.08627	3.3
295.06042	0.6
297.07758	0.4
299.05490	3.0
301.07120	1.4
303.05103	0.9
315.05014	0.7
331.04449	1.7
393.09851	0.6
409.09189	12.3
409.14615	0.6
410.09567	1.2
411.10730	15.8
412.11017	1.4
421.09088	0.7
435.10626	0.8
494.11194	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	731.1602
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin-3-O-gallate
Peak:m/z	Relative Intensity
51.02375	1.4
51.81404	0.5
52.10918	0.5
53.03944	1.2
53.86603	0.5
55.01869	2.2
65.03941	2.1
67.01859	0.9
67.05504	1.1
68.08827	0.5
68.47468	0.5
68.99789	7.2
69.75711	2.2
72.60305	0.5
77.03934	1.3
79.01842	0.5
79.05487	1.0
79.53748	0.5
81.03429	4.0
89.03925	1.4
91.05506	0.6
93.03407	1.8
95.04960	2.7
97.02922	0.6
99.04471	1.2
103.05426	1.1
104.52140	0.5
105.03388	2.1
107.01289	0.9
107.04961	4.4
109.02884	3.4
111.00802	3.4
111.04452	6.7
115.05444	0.7
117.03412	1.4
117.07032	1.1
119.04931	1.8
121.02857	2.2
123.04429	100.0
124.04756	2.3
125.02404	0.7
127.03916	90.3
128.04240	1.6
129.06906	0.7
131.04922	2.4
133.06532	0.6
135.04416	47.1
136.04761	1.7
137.02359	5.3
137.05975	0.7
139.03902	63.2
140.04271	1.3
141.01785	1.0
141.06937	1.3
143.03349	0.9
143.04883	1.3
145.06502	1.0
147.04410	8.3
149.02322	6.4
149.05989	2.3
151.03906	25.7
152.04253	1.0
153.01834	15.2
153.02887	0.6
155.04837	0.7
157.06543	0.7
159.04338	3.0
161.02429	0.5
161.05986	2.8
163.03906	42.6
164.04265	1.2
165.05519	4.3
167.02071	1.2
167.03410	9.0
169.06470	1.7
171.04384	0.9
173.06018	2.8
175.03908	6.1
177.05492	4.6
179.03378	6.3
181.04962	1.0
181.06447	1.5
183.04454	1.2
185.05972	2.0
187.03854	6.7
187.07539	1.1
189.05460	4.8
189.47292	0.6
191.03392	14.9
193.04990	4.0
197.05960	4.7
199.03819	0.6
201.05455	9.9
203.03392	14.3
203.06961	2.7
204.03700	0.5
205.04860	2.8
209.06004	0.9
213.05499	2.7
215.03378	2.2
215.06999	2.4
217.04927	2.2
223.02333	1.0
225.05399	1.6
227.03436	0.7
227.07034	1.1
229.04951	9.6
231.06511	3.9
233.04446	7.4
241.04907	1.8
242.98528	0.6
243.06567	4.8
245.04439	9.7
247.06013	27.0
248.06337	1.4
251.05389	1.0
253.04953	1.2
255.06442	2.5
257.04462	12.6
258.05106	1.0
259.06006	13.6
261.07657	4.1
265.04840	0.7
269.04471	6.8
270.04446	0.6
271.06027	22.1
272.06342	1.6
273.07590	6.6
275.05515	17.8
276.05777	1.3
283.06036	9.0
284.06165	1.0
285.07523	2.1
285.62717	0.6
287.05484	27.7
288.05862	1.3
289.07059	21.7
290.07245	1.4
291.08615	3.5
297.07556	1.5
299.05634	4.1
301.07068	15.2
302.07355	1.4
303.08621	1.1
315.08615	1.6
391.08215	4.4
393.09564	2.5
409.09174	29.0
410.09335	2.3
421.09317	2.6
427.10092	3.4
435.10684	1.4
439.10260	0.7
443.09702	1.4
483.47113	0.6
510.19882	0.6
561.12347	0.7
579.11035	1.5
712.34760	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	731.1599
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02374	1.2
51.89046	0.5
53.03956	1.0
53.54974	0.5
55.01861	0.9
62.31411	0.5
65.03945	1.1
67.05498	1.3
67.84693	0.4
68.99785	3.8
70.19096	0.4
70.45162	0.5
70.45498	1.3
76.23759	0.5
77.03928	1.5
79.01849	0.8
81.03426	1.5
81.84873	0.5
89.03926	0.6
93.03369	0.7
95.04964	2.2
99.04461	0.9
104.50004	0.5
105.03385	1.8
105.04513	0.7
105.56575	0.5
107.04963	2.4
109.02865	2.0
111.00804	3.4
111.04460	2.7
111.05186	0.4
112.90708	0.5
117.03433	0.6
119.04942	1.0
121.02827	0.7
123.04428	100.0
124.04755	2.4
125.02320	0.6
127.03915	52.6
128.04266	1.1
131.04927	1.3
135.04413	22.9
136.04738	0.8
137.02368	1.3
139.03891	14.6
139.91637	0.4
141.06979	0.6
143.03401	1.1
143.04958	0.9
145.02895	0.8
145.06390	0.5
147.04420	6.1
149.02335	2.8
149.05981	0.9
151.03911	9.9
153.01840	10.4
153.02956	0.9
154.93082	0.5
159.04501	2.8
161.02339	0.6
161.05968	1.5
163.03909	26.3
164.04326	0.8
165.05461	1.7
167.03418	2.2
169.06473	1.0
173.02354	2.0
173.05940	1.8
175.03925	2.2
175.07480	0.5
177.05463	2.1
179.03400	3.8
181.05013	0.8
181.06480	0.5
183.04399	0.6
185.05971	1.2
187.03899	4.4
187.07591	0.7
189.05473	2.2
191.03389	2.9
193.04939	2.3
197.05977	1.7
201.05461	6.8
203.03403	6.2
203.07021	1.1
205.04973	1.3
213.05489	1.5
213.07666	0.4
215.03477	0.8
215.07002	1.1
223.02310	0.8
225.05513	1.3
227.03404	1.1
229.04942	3.4
231.06470	0.8
233.04480	0.9
237.05449	0.7
239.07091	0.7
241.05023	1.5
243.06433	2.6
245.04512	4.3
247.06009	14.6
253.05013	0.9
255.06485	1.5
257.04449	6.0
258.05118	0.8
259.05984	2.7
261.07620	1.3
267.06573	0.6
269.04489	5.7
271.06006	13.4
273.07498	3.3
275.05481	3.9
283.06073	2.0
285.07574	1.7
287.05511	14.0
288.05841	1.3
289.07056	13.0
290.07428	1.1
291.08591	1.1
295.05988	3.0
299.05493	10.7
301.06940	3.1
311.05573	2.7
313.07126	4.6
336.48401	0.5
391.07962	1.5
393.09616	1.2
409.09177	8.4
410.09537	0.8
411.10397	0.6
421.09219	6.6
422.09537	0.7
435.10818	1.9
439.04877	0.6
439.10043	2.8
563.11725	1.1
609.02185	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	731.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12500	0.4
53.03955	0.7
53.74780	0.4
55.01879	0.6
55.05508	0.4
57.03448	1.8
59.05021	0.7
61.02933	4.8
67.05508	4.3
69.03431	2.6
69.07078	1.0
69.12872	2.3
71.01370	0.5
71.05002	4.0
73.02924	2.9
75.14150	0.3
79.05493	2.8
81.03426	3.3
81.07068	3.6
83.05001	0.8
83.08649	0.8
85.02914	3.9
85.06560	0.6
91.03965	2.1
91.05490	3.3
93.07042	3.0
95.04987	1.6
95.08638	1.2
97.02904	4.1
97.06569	1.0
99.04498	0.6
101.02367	2.0
103.03955	0.4
105.07040	1.7
107.04945	0.5
107.08604	1.8
109.02914	0.6
109.10168	3.0
119.08583	1.8
121.10179	1.7
123.08166	0.4
126.89081	0.3
127.03971	1.3
128.24063	0.3
129.07037	0.8
131.08592	1.0
133.10182	1.0
135.11754	1.4
137.09669	1.9
145.10146	0.4
147.11749	1.0
149.09682	1.3
149.15961	0.4
157.10193	1.0
159.40877	0.3
175.11208	0.6
181.12344	0.5
193.12354	1.2
243.08459	2.9
243.16052	0.6
253.14337	1.1
259.08054	0.6
267.15988	0.4
283.15271	3.4
301.09357	0.6
309.17007	0.4
337.88431	0.4
339.18039	1.1
381.26791	0.4
427.19531	0.4
439.19556	0.7
441.20584	0.5
469.20691	0.9
471.22073	8.3
472.22150	0.6
500.93546	0.4
501.23068	9.7
502.23474	0.8
515.21204	0.6
569.33112	0.5
587.23810	0.4
641.29602	1.6
713.35187	0.7
731.38275	100.0
732.38507	15.3
748.67212	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	731.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.17691	0.4
55.01855	0.6
55.05505	1.8
57.03431	1.9
57.07083	0.5
61.02930	4.7
63.57515	0.3
66.53533	0.4
66.83506	0.3
67.05506	6.2
69.03432	2.6
69.07066	1.2
69.90667	1.4
71.01348	0.4
73.02921	4.1
79.05481	2.7
81.03416	1.7
81.07057	6.2
83.04967	0.4
83.08624	1.1
85.02900	4.8
86.09702	0.4
87.04469	0.5
89.43848	0.3
89.61848	0.3
91.03963	3.1
91.05468	1.9
93.07034	4.9
95.05002	0.4
95.08621	2.9
95.11562	0.3
97.02890	4.2
97.06546	0.4
98.22655	0.3
99.04459	1.1
101.02369	2.1
103.03943	0.4
105.07036	1.4
107.08598	2.6
109.02870	1.0
109.10164	1.3
111.08121	0.5
115.03967	0.4
117.07040	0.8
119.08595	0.7
120.72615	0.3
121.10145	1.5
123.11724	0.5
127.03915	1.8
131.08513	0.9
133.10138	1.3
135.11697	1.2
145.04938	0.5
145.10223	0.5
149.13283	1.2
159.11653	0.8
173.78627	0.4
177.12659	0.4
184.07327	1.9
185.04227	0.7
194.90581	0.3
195.00325	0.4
195.13843	0.4
203.05260	0.3
208.59842	0.4
235.13199	0.7
243.08299	1.8
269.17532	0.5
335.25623	0.3
453.20920	9.7
454.21414	0.9
457.41931	0.4
519.29120	4.9
561.91559	0.4
731.43286	100.0
732.43616	15.9
748.60706	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	731.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21407	0.4
53.03948	1.0
55.01871	0.4
55.05507	1.1
57.03438	1.8
61.02925	4.9
67.05503	5.5
69.03429	2.7
69.07085	1.7
71.01372	0.4
71.04994	0.6
71.36557	0.3
73.02912	3.3
79.05498	4.0
81.03402	1.6
81.07057	6.4
83.08634	1.1
85.02905	4.1
91.03953	2.4
91.05494	2.1
93.07036	4.6
95.04983	0.5
95.08603	3.1
97.02886	3.9
97.06524	0.9
97.10134	0.4
98.23442	0.6
99.04454	0.8
101.02377	1.7
103.03949	0.4
105.07047	0.8
107.08609	2.4
109.02864	0.6
109.10180	0.8
117.07043	0.5
119.08573	0.7
121.10136	2.1
123.11747	0.5
127.03938	1.3
131.08560	0.6
133.10124	0.8
134.76773	0.3
135.11720	0.6
145.10150	0.3
149.13255	1.9
159.11742	0.8
177.12851	0.3
184.07379	0.8
185.04228	0.4
203.05429	0.6
224.61530	0.3
235.13092	0.6
237.36931	0.3
243.08501	1.4
269.17407	0.5
303.85507	0.3
379.42474	0.4
453.21033	6.9
454.21274	1.0
462.27847	0.4
519.29333	5.5
520.29681	0.8
653.51044	0.4
731.43335	100.0
732.43671	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05517	1.6
57.34469	1.3
63.02671	1.5
67.05518	3.1
77.83103	1.3
79.05535	1.5
81.07078	2.2
93.07077	1.7
97.10191	2.7
98.22568	3.3
105.07020	2.3
109.11760	1.4
125.09630	2.1
142.59850	1.2
311.00455	1.4
349.19864	8.4
405.22498	7.4
436.21979	1.6
731.43378	100.0
732.43793	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	732.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93668	2.0
57.30075	1.9
65.14896	1.9
67.05525	2.9
68.27172	1.8
68.88745	2.0
68.96508	1.9
71.07854	3.6
72.50639	1.8
78.81709	1.8
79.05500	3.6
81.03407	2.4
81.07076	2.6
91.05482	5.2
93.07051	4.2
95.04926	2.5
95.08596	2.3
97.02924	2.4
101.79842	1.9
103.05482	7.9
105.03400	2.2
107.04975	2.1
115.05463	1.8
119.05012	2.7
121.06503	16.9
131.04936	5.7
133.02861	15.6
133.06552	1.9
136.07600	2.8
137.05962	11.8
147.04405	5.8
148.05165	3.3
149.06023	4.3
151.03931	7.7
151.07527	3.7
162.06564	1.7
163.07567	6.0
164.07069	3.0
165.05534	5.8
167.07071	2.6
175.07626	5.8
177.05478	6.2
179.03412	5.4
181.04961	6.2
191.07034	18.7
192.07764	2.2
203.07059	2.5
219.06549	3.5
241.08638	3.1
248.76242	2.4
249.07637	3.0
265.45761	2.2
273.48492	1.9
283.43863	2.1
284.10580	2.6
299.09225	5.8
347.09760	2.2
351.08801	4.7
355.11880	3.0
365.10379	2.7
383.11322	7.7
385.38446	2.2
401.12454	5.9
441.20889	2.7
449.15979	5.2
568.39056	2.6
569.28931	6.8
570.29767	11.6
604.26154	3.9
731.35706	20.4
732.35199	100.0
733.23065	2.4
733.35455	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	732.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.05039	1.0
57.03428	0.3
57.07058	0.2
58.06610	0.4
60.08165	6.1
61.02932	0.3
67.05505	1.1
69.07068	0.5
71.07370	3.9
79.05504	0.9
81.03424	0.4
81.07063	1.2
83.04959	0.3
83.08611	0.2
85.02926	0.2
86.09707	31.4
87.10035	0.5
89.06054	0.2
91.05477	0.5
93.07047	0.8
95.04997	0.2
95.08595	0.9
97.02900	0.4
98.98473	3.4
104.10754	2.3
104.74551	0.2
105.07047	0.5
107.08584	0.5
109.10168	0.6
112.42177	0.2
119.08623	0.2
119.39981	0.2
121.10136	0.5
125.00007	21.4
131.08502	0.2
133.10133	0.3
135.11639	0.3
143.01039	0.4
147.11728	0.2
157.49481	0.2
161.73120	0.2
184.07344	100.0
185.07689	2.2
195.00304	0.4
255.15927	0.2
267.15979	0.5
268.06830	0.2
311.25766	0.2
337.27359	0.3
491.36902	0.3
503.37225	0.3
519.29254	0.3
535.39435	0.5
561.37030	0.3
705.57574	0.2
723.41675	0.2
732.48071	3.9
733.40210	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	732.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05025	0.9
57.07088	0.3
58.06612	0.5
60.08169	7.2
65.81424	0.3
67.05495	1.0
69.07060	0.5
70.06620	0.3
71.04984	0.3
71.07372	3.4
71.29803	0.2
73.02197	0.2
79.05506	0.8
81.03430	0.4
81.07050	0.9
83.08626	0.3
85.02923	0.3
86.09710	31.4
87.10035	0.7
89.06026	0.4
91.05499	0.5
93.07037	0.5
95.08611	0.5
98.98467	3.2
104.10744	2.4
109.10164	0.4
119.08529	0.4
121.06493	0.3
121.10181	0.3
124.71064	0.3
125.00008	21.9
125.08334	0.2
133.08621	0.3
184.07350	100.0
185.07738	2.4
195.00337	0.9
243.20081	0.2
363.17361	0.3
455.18793	0.5
477.34894	0.4
561.37653	1.2
700.44916	0.4
732.48596	3.7
733.40399	6.5
760.06494	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	732.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.07078	35.3
59.08577	1.1
67.05502	1.4
68.66792	1.2
69.07061	4.0
71.08640	28.5
72.08994	1.4
72.24943	1.1
73.06560	7.9
83.08617	1.8
85.10188	16.9
86.09711	4.5
87.04472	9.6
89.06036	100.0
97.10192	4.6
98.22643	2.8
99.11736	3.5
107.07079	3.1
109.10178	1.9
111.11731	2.4
113.13319	2.2
117.09135	7.1
117.65360	1.1
124.99998	2.5
127.55074	1.2
130.92999	1.4
131.07045	2.8
133.08614	45.7
161.11720	1.6
169.19563	2.7
175.09692	2.3
177.11220	16.7
184.07385	12.3
213.22148	3.3
221.13852	4.2
225.07532	1.1
257.24921	6.7
283.17480	1.8
301.27402	3.0
309.19177	1.3
327.19891	1.2
333.89786	1.3
395.15222	1.4
652.23651	1.3
733.41284	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	732.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	1.2
55.05509	11.9
55.27470	0.6
56.05036	5.6
57.03437	1.0
57.07075	7.3
58.06588	1.2
60.04525	87.4
65.03956	0.8
67.05503	20.2
68.05023	1.2
68.41055	0.6
69.03419	1.1
69.07064	16.7
69.09401	3.1
69.09815	1.1
70.02935	0.6
70.06598	2.3
71.05032	0.6
71.08632	3.6
72.04510	5.6
73.02933	0.7
74.06082	2.6
79.05491	12.4
79.05915	1.0
80.05013	1.5
81.03426	3.5
81.07053	20.8
82.06563	2.9
83.04982	1.7
83.08613	10.6
83.67109	0.6
84.08144	1.3
85.02907	1.5
85.06528	0.7
85.10187	1.6
85.23423	0.6
86.06078	2.6
90.05558	4.9
91.05473	11.8
93.07041	10.0
94.06564	5.7
95.04970	3.4
95.07365	1.8
95.08604	18.9
96.08111	2.8
97.02995	0.5
97.06556	2.6
97.10159	7.2
98.06062	2.1
98.10562	0.6
100.07640	0.9
105.07023	6.9
107.08591	6.1
108.08127	2.2
108.08854	0.6
109.06520	1.6
109.10146	7.4
110.09669	1.9
111.08064	1.6
111.11740	2.4
111.28477	0.6
112.07613	0.8
112.11251	0.7
119.08577	7.3
121.10142	6.1
122.09666	1.2
123.08064	1.4
123.11728	2.0
133.10129	6.7
133.62856	1.0
135.11696	3.1
136.11212	1.1
137.09659	1.2
147.11728	2.3
149.13290	0.9
151.11177	0.7
151.53125	0.5
161.13284	1.1
175.14879	0.8
215.22617	0.7
219.21161	0.9
233.22687	0.7
233.37701	0.6
234.22141	0.7
235.67909	0.5
245.22585	4.1
250.25304	4.4
252.26788	1.5
254.24875	0.8
260.23837	1.4
261.12811	0.6
262.25299	35.0
263.23453	5.2
263.25870	1.8
268.26376	1.6
272.25848	6.4
280.26337	30.4
281.26703	1.5
282.84146	0.7
298.27405	10.1
299.27750	0.8
314.26901	3.6
316.28329	1.4
324.29703	0.6
344.27933	1.7
369.63278	0.6
516.47681	4.3
534.48834	14.0
535.49176	2.6
552.49835	100.0
553.50208	15.9
562.41284	0.7
570.50879	26.4
571.51526	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	732.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01875	1.5
55.05512	12.9
56.05039	5.9
57.03442	0.6
57.07075	7.2
58.06618	0.9
60.04527	92.1
65.03929	1.0
65.13521	0.6
67.05505	17.9
68.05043	1.2
69.07069	17.5
69.08340	3.9
70.02971	1.0
70.06597	3.1
71.04984	0.6
71.08627	4.8
72.04514	4.7
74.06081	3.1
75.93266	0.6
79.05495	11.9
80.05027	1.8
80.05790	0.5
81.03409	4.4
81.07053	20.6
82.06579	3.8
83.05003	2.1
83.08621	10.7
84.08133	1.4
85.02921	1.5
85.10188	2.3
86.06068	4.0
86.09692	0.7
90.03986	0.5
90.05558	4.5
91.05486	11.1
93.07046	13.8
94.06565	6.3
94.87894	0.6
95.04986	2.8
95.07373	2.1
95.08610	18.1
96.08140	3.2
96.08929	0.6
97.06539	1.6
97.10171	6.6
98.06086	2.1
98.22597	1.2
100.07578	0.7
105.07025	7.7
107.08605	5.9
108.08147	2.4
109.06529	1.0
109.10153	7.8
110.09691	1.0
111.08080	1.4
111.11742	2.0
112.07616	1.3
116.07106	0.6
119.08578	6.9
121.10139	7.5
122.09695	1.8
123.08087	1.5
123.11696	2.0
126.09156	0.7
128.10835	0.6
133.10129	7.3
135.11676	3.1
136.11212	1.2
137.09657	1.7
137.13271	1.3
142.15874	0.7
147.11696	2.6
149.13231	1.4
151.14868	0.7
161.13266	1.4
163.14803	0.9
175.14891	0.8
184.07349	1.4
193.92973	0.5
219.21063	1.1
233.22733	1.3
234.22166	1.2
238.25272	0.5
245.22701	4.6
250.25299	3.3
252.26932	0.6
252.80092	0.6
254.24835	0.8
262.25293	35.7
263.23404	3.9
263.26093	1.4
266.24872	1.7
268.26459	1.3
272.25940	6.3
273.26364	0.6
280.26355	27.5
281.26767	2.1
298.27432	10.4
299.27725	0.8
314.26776	3.2
316.28561	1.3
344.27951	1.4
385.44577	0.6
504.47794	0.7
516.48022	3.2
534.48822	15.9
535.49036	2.3
552.49866	100.0
553.50183	14.8
570.50909	27.2
571.51373	3.9
582.01837	0.7
648.83270	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	733.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02870	0.8
55.05503	3.1
57.03433	1.7
57.07067	0.9
60.08163	2.1
67.05511	7.1
69.07062	3.0
70.37929	1.0
71.04993	1.0
73.02927	1.7
75.81561	0.9
79.05504	4.3
81.06634	1.3
81.07059	9.2
82.07455	1.0
83.08627	2.1
85.10223	1.0
86.09702	6.6
91.05477	3.1
91.82882	1.0
92.05805	0.9
93.07045	4.7
95.04999	1.6
95.08621	4.4
97.02877	1.1
98.23455	2.3
105.07056	2.3
106.07356	1.1
107.08615	3.3
109.10165	1.5
117.06996	1.5
119.08627	2.3
121.10235	1.5
123.11757	2.7
125.00002	5.3
130.09216	1.0
133.10124	1.5
134.39481	1.0
135.11615	1.5
143.38023	0.9
145.10162	1.4
146.38292	0.9
147.79724	0.9
151.11304	1.1
163.11368	1.0
165.12822	1.6
184.07381	27.8
185.07726	2.2
221.56607	0.9
239.47522	0.9
295.22842	1.4
296.22989	1.8
301.20026	1.1
305.24557	0.9
309.24255	1.7
310.24695	1.4
313.26822	1.0
455.18063	1.1
477.35849	2.3
478.36121	3.8
535.39502	1.4
536.40137	4.3
561.37567	2.3
733.39124	100.0
734.39502	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.06967	0.3
55.01874	0.9
55.05516	2.5
57.03442	2.0
57.07075	0.4
61.02932	4.3
65.03932	0.4
67.05508	7.0
67.89592	0.3
68.61272	0.3
69.03425	2.7
69.07076	2.1
71.01366	0.5
71.04993	0.8
73.02921	2.8
79.05498	4.9
81.03410	2.0
81.07063	5.6
83.04994	0.8
83.08635	1.0
85.02906	4.7
87.04475	0.5
91.03967	1.8
91.05483	4.3
93.07050	6.5
95.04980	1.4
95.08603	2.5
97.02898	3.5
97.06558	0.8
97.10204	0.7
99.04435	0.7
101.02396	1.7
105.07030	3.5
107.04971	0.9
107.08604	3.6
109.02854	0.7
109.06530	0.7
109.10168	3.0
110.10523	0.6
111.08067	0.4
117.07059	1.2
118.51421	0.3
119.08591	2.7
119.69371	0.3
121.06523	0.8
121.10139	1.6
123.08100	0.6
127.03942	1.1
129.05592	0.3
129.07028	0.9
131.08580	1.3
133.10129	2.0
135.11681	3.2
145.10133	1.6
147.11714	0.9
149.09666	0.7
159.11728	0.5
161.13293	0.5
163.11218	0.8
173.11829	0.4
173.13278	0.4
177.08839	0.3
181.12321	0.6
184.07414	0.7
185.04326	0.7
221.11555	0.9
229.14369	2.3
230.14793	0.9
243.08380	2.4
247.13019	0.4
275.20096	1.5
276.20560	0.8
291.19803	0.4
301.09033	0.9
314.62228	0.3
333.24387	0.4
349.23810	0.8
350.24060	0.8
355.13834	0.4
369.15060	0.5
373.11145	0.6
382.26862	0.4
429.17416	0.6
439.19403	8.5
440.19922	0.7
446.39569	0.3
465.20941	0.4
503.33490	0.5
504.34082	1.7
511.21671	1.1
522.35297	0.4
535.28809	5.9
535.35468	0.3
536.29254	0.6
536.35974	1.6
571.35321	0.4
595.31323	0.4
663.32764	0.5
715.43854	0.3
733.41302	100.0
734.41644	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58237	0.4
55.05515	1.9
62.47446	0.4
63.11903	0.5
67.05517	2.0
69.07053	1.2
71.08649	1.1
71.95865	0.5
79.05505	2.1
81.03423	0.8
81.07068	2.9
83.05006	0.7
83.08630	1.3
86.09687	0.9
91.05506	1.5
92.52965	0.5
93.07062	1.6
95.04974	1.2
95.08631	0.8
97.10187	1.4
107.08609	1.4
109.10206	0.8
111.04488	0.5
119.08578	0.8
121.10173	0.9
125.00079	0.7
125.09690	1.4
135.11821	0.5
163.11125	0.6
184.07315	2.8
225.05630	0.5
248.77573	0.6
250.70534	0.7
256.26413	0.6
322.87955	0.5
349.19846	5.4
351.21387	5.7
352.21756	0.6
405.22714	3.2
407.24115	3.5
644.91309	0.6
733.44971	100.0
734.45520	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	734.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.2
53.03939	8.1
55.01866	6.6
57.49136	2.0
65.03947	10.5
67.05492	6.9
69.61070	11.3
77.03927	2.5
78.62183	1.9
79.05491	4.9
84.60204	1.7
85.02906	2.8
89.03925	9.0
90.43616	2.2
91.05486	39.3
93.03422	5.5
93.07034	8.8
95.04975	46.8
103.05450	10.5
105.03403	3.5
105.04522	6.3
105.07023	4.8
106.04182	4.1
107.04958	8.3
109.06497	2.2
110.03713	3.0
111.04430	3.1
115.05457	5.5
117.03381	31.5
117.07033	2.8
119.04953	39.5
121.06504	40.9
121.07347	2.1
122.03670	3.3
123.04437	48.7
124.05247	2.8
125.06003	8.5
130.04163	3.8
131.04927	9.4
133.02876	6.4
133.06477	5.6
134.03632	4.8
135.04416	4.1
136.05176	4.1
136.07645	2.7
137.05980	24.0
139.07553	2.2
140.04727	11.5
145.02852	54.9
145.06490	6.2
146.03542	2.3
147.04408	26.9
148.05164	3.3
149.06000	30.6
150.06737	3.1
151.03918	63.4
151.04938	2.7
151.07539	10.6
152.04376	3.0
152.08348	2.6
153.01814	6.3
153.05461	14.1
154.06262	5.2
155.07040	25.8
157.03973	3.1
158.03647	2.9
160.05235	4.7
161.02348	2.5
161.06004	10.8
162.06810	4.3
163.03932	4.0
163.07542	3.6
164.07108	6.3
164.69411	2.3
165.05508	7.8
165.09105	4.7
166.06441	2.4
167.07051	23.2
171.06580	2.6
173.05981	13.5
175.03912	32.2
175.07526	4.6
176.04584	4.7
177.05472	100.0
178.05939	3.9
179.07065	17.6
180.07823	7.9
181.04967	47.6
181.08626	6.4
182.05333	2.6
182.09396	9.5
183.06531	68.6
191.07068	9.1
194.07291	2.3
195.06573	12.7
197.08131	3.9
201.05475	50.2
201.07306	2.6
202.06015	2.7
203.07050	2.1
206.59030	2.0
207.06483	13.7
207.10164	5.7
208.07303	3.6
209.08087	21.0
210.08916	16.2
219.06511	51.3
219.08447	3.4
225.07547	22.2
231.06569	3.4
235.07584	3.5
237.05424	2.5
263.07013	4.6
280.07587	2.8
293.08011	2.8
295.09372	2.3
299.09204	2.2
307.09891	2.0
312.12360	5.4
321.07431	2.5
323.09232	16.6
324.10123	2.4
325.10721	3.3
329.10196	2.9
331.11807	6.1
335.09131	5.1
351.08832	6.5
353.10214	24.8
355.11752	5.7
356.14978	9.2
365.10059	3.2
367.11688	2.6
368.12518	4.9
369.09607	2.8
371.11197	11.5
374.13596	37.3
383.11057	9.8
386.13538	15.9
387.14154	4.7
401.12323	5.1
404.14676	24.6
405.14944	4.3
460.17664	3.6
490.18558	10.4
491.18588	2.3
499.13351	2.3
531.16351	3.2
655.81232	2.8
734.35498	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	734.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
57.03428	0.7
58.46327	0.3
69.03418	0.8
69.61454	0.4
69.61843	0.7
72.27286	0.3
73.02900	1.2
75.02431	0.2
77.03897	0.3
78.04716	1.8
79.05501	3.2
80.44357	0.3
81.03420	0.8
81.07069	0.4
85.02898	1.1
91.05494	1.7
93.07063	0.5
95.04951	0.8
97.02880	1.0
103.05482	3.7
105.07034	4.6
106.04194	1.4
107.04965	6.7
109.06498	0.6
115.03896	0.6
115.05431	1.5
117.07021	0.9
119.05022	0.6
120.13040	0.3
121.06499	2.6
122.03703	0.3
123.04440	5.0
123.08100	0.7
124.05252	2.1
125.05977	0.3
128.06158	0.4
129.07016	0.9
131.04941	5.0
131.08539	0.8
132.05692	0.3
133.06497	5.9
134.03624	0.5
135.04419	0.4
135.08061	1.2
136.05254	0.3
137.06010	3.1
138.06773	0.3
139.03871	0.4
139.07565	0.4
141.07002	0.9
143.04953	0.8
143.08524	0.3
143.67993	0.3
144.05731	0.9
145.06508	2.2
145.10123	0.4
147.04427	1.6
147.08025	0.5
149.05980	0.5
151.03920	1.1
151.07553	3.6
152.04730	2.1
153.05463	0.6
154.06334	0.4
155.05981	0.3
155.08435	0.3
157.06529	0.4
158.07243	0.6
159.08078	1.8
160.05199	0.6
161.05998	6.6
163.07545	11.6
164.07889	0.7
165.09099	0.5
166.06197	0.3
167.07047	100.0
168.07367	3.7
169.06499	0.3
172.05219	0.3
173.06001	1.1
173.09656	1.2
175.07532	1.6
177.05499	0.4
177.09140	2.4
178.06287	0.4
179.07036	2.5
181.08623	6.0
187.07524	3.2
189.09097	0.7
191.07066	0.4
192.07866	0.9
193.08615	15.3
194.09003	0.6
195.10243	0.6
201.09117	1.9
203.08635	0.4
205.08549	1.4
206.09381	0.4
207.10086	0.6
212.70328	0.3
217.08598	0.9
219.10156	2.0
221.11826	0.6
229.89392	0.3
231.08147	0.9
231.10312	0.4
233.11716	2.6
235.11151	0.4
237.11221	3.3
248.08075	0.4
249.11215	1.0
251.12837	1.9
263.10675	1.4
291.10172	1.0
293.02213	0.3
293.07898	0.3
295.13382	1.1
323.12735	1.9
324.13406	0.4
355.15421	11.0
356.15720	0.6
387.18021	12.4
388.18155	0.6
405.19095	34.6
406.19281	2.8
423.20093	2.1
482.51471	0.3
594.42065	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	734.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45514	0.2
53.03931	0.2
54.51672	0.2
55.01869	0.5
55.05518	1.2
56.05040	0.3
57.03438	3.9
57.07077	3.9
57.95331	0.2
58.06601	29.4
59.06932	0.3
59.07383	7.4
60.08164	7.8
67.05508	3.2
69.05399	1.7
69.07069	1.5
71.08639	2.4
73.02930	0.4
75.04482	2.2
79.05482	2.0
79.48553	0.2
81.07055	2.8
83.04962	0.2
83.08623	1.0
84.08121	0.6
85.02905	2.0
85.10186	1.5
86.09719	0.5
87.04465	3.2
91.05486	1.3
93.05503	0.2
93.07038	1.6
95.08611	3.1
96.17140	0.3
97.06530	0.6
97.10174	0.4
100.11257	0.6
102.05561	1.0
103.03928	0.3
105.05538	0.7
105.07024	0.5
107.08578	0.5
109.10147	0.8
113.05979	1.1
116.10724	0.3
119.08595	0.3
121.10161	0.5
123.11776	0.3
130.08646	0.8
131.07047	1.6
135.11697	0.3
144.10194	14.7
159.06612	0.3
162.11249	4.4
200.12811	0.6
218.13918	1.1
236.14920	100.0
237.15283	3.6
313.27347	1.1
335.25806	0.3
369.30069	0.8
412.37897	1.0
456.36850	6.0
457.37006	0.3
474.37900	17.9
475.38126	1.8
478.35382	3.3
479.35410	0.3
494.45154	0.2
496.36337	5.7
497.36618	0.7
545.85260	0.2
734.59229	89.6
735.59564	14.8
751.59894	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	735.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
58.44286	0.4
61.02922	0.3
65.42818	0.3
67.05540	0.4
67.91796	0.4
69.03431	28.0
70.02976	0.9
70.03779	0.5
72.15073	0.4
79.05514	0.4
81.03426	2.3
81.07049	0.5
85.02905	7.8
95.04985	0.9
97.02892	100.0
98.03238	2.0
107.04931	0.4
111.00801	0.3
115.03936	3.6
121.02853	0.5
121.06483	0.9
125.02352	0.4
127.03931	1.7
137.02374	2.0
139.03893	1.2
143.53177	0.4
147.04337	0.4
153.01819	1.9
153.38258	0.3
157.04962	24.4
158.05338	0.5
163.03893	0.4
165.01878	0.8
165.05399	0.4
183.02943	0.5
193.05009	3.6
201.05423	0.7
217.07085	12.6
218.07480	0.5
223.01904	0.4
229.04964	1.4
257.04453	1.4
303.04987	45.8
304.05362	2.3
315.04999	4.8
327.05237	0.4
353.06598	1.6
357.06055	0.5
381.06018	4.9
390.75534	0.4
396.36456	0.4
399.07230	1.7
432.60120	0.4
441.08054	0.7
459.09146	0.5
474.98984	0.4
507.30685	0.5
519.11292	3.2
525.31989	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	735.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.5
55.01878	12.6
55.05513	57.0
57.03432	13.1
59.84381	1.8
61.02919	2.4
65.03941	4.5
67.05505	70.2
69.03432	23.0
69.07065	24.7
71.05006	9.7
73.02927	3.0
78.10791	2.1
78.64029	1.3
79.05494	100.0
81.03414	40.0
81.03857	2.7
81.07056	65.6
83.04990	22.5
83.08620	44.4
85.02905	16.3
85.06548	5.6
87.04465	2.3
91.05482	82.0
91.63725	1.7
93.07043	79.5
94.07370	2.0
95.01340	2.7
95.04362	3.5
95.04971	65.0
95.08606	43.3
97.02888	10.8
97.06523	14.0
97.10172	10.5
99.04434	8.5
99.08084	3.7
101.02308	1.8
103.05477	1.9
105.04493	3.4
105.07030	63.6
106.07374	2.1
107.04948	26.4
107.05607	1.9
107.07874	2.4
107.08597	40.9
109.02876	5.4
109.06524	14.9
109.10146	17.1
111.04454	8.4
111.08092	11.1
115.05475	4.9
117.07016	29.6
119.04917	2.4
119.08574	43.0
121.06512	13.9
121.10149	18.5
123.04432	1.9
123.08076	9.7
123.11750	3.1
125.09635	7.8
125.74392	1.7
127.03944	8.4
128.06215	6.2
129.05525	2.8
129.07002	23.6
131.03410	1.6
131.04942	3.1
131.08563	28.7
133.06529	8.6
133.10130	25.8
134.10439	1.9
135.08067	10.1
135.11678	11.9
137.09622	3.8
139.11137	3.1
141.06985	5.4
143.08542	15.8
145.06496	6.6
145.10123	29.7
147.08067	8.8
147.11679	31.3
149.09624	24.7
149.13190	3.1
151.11191	4.6
153.07016	2.2
155.08568	5.2
157.06488	3.8
157.10152	6.1
159.08099	5.5
159.11694	11.4
161.09644	7.6
161.13272	12.8
163.11188	28.2
163.12468	2.3
164.11577	1.8
165.12784	5.6
167.08586	3.6
168.09189	1.5
169.10153	7.1
171.08089	4.4
171.11696	24.9
173.04459	4.4
173.09653	6.2
173.13281	6.1
175.11255	2.1
177.12776	5.5
179.14331	2.5
181.10179	3.2
181.12218	2.0
183.11681	2.4
185.09830	1.7
185.11664	1.8
185.13266	2.7
187.11240	5.0
189.09216	1.4
189.11522	8.2
189.12787	8.0
191.14249	1.7
193.10313	1.6
193.12187	1.9
195.11688	2.0
197.13329	2.9
199.15009	2.2
201.12836	3.3
205.12260	6.4
207.13803	24.3
211.13268	2.0
215.18126	1.9
219.13863	2.4
223.13237	29.4
225.14667	1.9
227.12737	2.9
229.19614	2.4
232.42400	1.8
239.18091	4.0
241.16020	3.7
247.20534	3.1
251.14201	2.7
257.19019	9.9
259.17004	4.0
263.16376	2.2
269.15393	5.9
273.14777	1.6
275.20044	73.0
276.20428	3.0
279.15881	1.9
281.17465	43.6
282.17746	3.1
287.16418	8.7
293.21121	22.8
294.21375	1.9
315.15765	2.8
333.17010	2.6
343.18845	3.1
349.23700	29.5
350.24161	1.8
351.17996	1.9
361.20361	2.7
367.24725	11.3
398.68936	1.7
407.20828	2.3
425.21436	8.1
555.36713	38.0
556.36945	4.5
573.09625	1.7
573.37750	26.6
653.39478	2.9
688.74768	2.4
717.41083	3.6
735.40643	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	735.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.6
55.01871	7.5
55.05514	21.9
57.03449	10.3
57.07075	1.0
61.02929	1.3
65.03949	5.5
67.05508	61.2
68.05823	1.2
69.03436	17.5
69.07071	18.9
71.01369	1.3
71.04990	6.3
73.02899	1.6
74.67535	0.9
76.87070	0.9
77.03928	1.8
77.16950	0.9
79.05495	67.5
80.05827	1.3
81.03418	33.9
81.07059	100.0
82.03761	1.0
82.07391	2.4
83.04985	16.1
83.08620	14.9
85.02915	10.3
85.06554	4.0
91.05483	61.5
92.05820	1.8
93.07045	59.7
94.07380	1.8
95.04971	24.0
95.08607	33.4
96.08979	1.2
97.02872	6.5
97.06525	12.3
97.10176	4.3
98.22621	2.2
99.04457	3.8
99.08083	2.2
103.03950	1.3
103.05453	2.9
105.04512	2.1
105.07036	51.2
106.07352	1.8
107.04964	15.7
107.08599	22.3
109.02866	5.1
109.06516	23.0
109.10170	11.0
111.04452	2.7
111.08082	4.4
115.05465	3.9
117.07014	18.4
119.04921	1.2
119.08583	36.8
120.08871	1.6
121.06515	8.7
121.10128	14.9
122.10464	1.5
123.04454	4.1
123.08073	9.7
123.11716	7.8
125.09631	2.9
127.03889	6.4
127.07571	1.4
128.06209	4.8
129.05473	2.9
129.07004	20.0
130.07687	0.9
131.04956	1.7
131.08578	21.6
132.05717	1.1
133.06517	6.7
133.10129	20.9
135.08067	7.6
135.11705	7.9
137.09599	4.5
137.13237	1.1
141.07030	4.8
141.09122	1.0
142.07768	2.0
143.08556	11.9
145.06476	6.7
145.10110	16.8
147.08032	6.4
147.11688	30.5
149.06053	1.5
149.09604	6.7
149.13255	6.8
151.11211	3.2
155.08582	5.1
156.09479	1.1
157.06485	2.5
157.10114	6.3
159.08104	4.1
159.11681	10.0
161.05923	1.4
161.09659	6.0
161.13269	7.8
163.07472	1.2
163.11189	6.5
163.14851	2.1
165.07060	1.2
165.12752	6.9
167.08565	2.2
169.06497	1.5
169.08690	1.3
169.10048	4.9
171.08052	4.4
171.11694	18.1
173.04477	3.6
173.09651	2.4
173.13300	4.3
175.11237	2.7
175.14807	1.3
177.09183	1.2
177.12773	2.6
179.14322	2.5
181.10167	2.4
183.11760	2.2
184.07346	1.4
185.09657	1.4
185.13245	2.2
187.07663	1.1
187.11211	3.2
187.14830	1.2
189.12749	6.7
191.14320	1.0
193.12318	2.2
195.11703	2.4
197.13307	2.7
199.11217	1.0
199.14764	1.3
201.12698	2.4
203.14362	1.5
207.13818	15.5
209.13368	1.6
211.14873	1.1
215.14377	1.8
219.13817	1.3
221.15349	1.3
223.14938	2.9
225.14864	1.6
229.19562	2.2
231.13823	1.1
233.15366	1.8
239.18088	1.4
241.15912	2.8
245.15353	1.1
247.20570	4.3
257.19046	6.1
259.16846	4.9
267.15933	3.0
269.15427	5.1
275.20068	58.9
276.20432	3.5
279.15848	1.6
281.17453	31.4
282.17917	1.6
285.59903	0.9
287.16437	10.2
291.19592	1.6
293.17899	1.7
293.21109	10.9
295.18814	1.1
305.17368	2.1
315.15991	1.2
331.22787	1.5
333.17001	2.2
333.20584	1.4
341.20999	1.2
343.18817	1.4
349.19492	1.9
349.23709	21.8
350.24237	2.0
351.17844	2.1
359.22403	2.0
361.20053	4.0
367.24814	17.8
379.21341	2.1
395.23932	1.1
407.20270	1.1
415.24976	1.2
417.42621	1.0
425.21814	10.8
426.22559	1.3
537.35852	1.3
555.36804	24.3
556.36926	2.7
569.38251	1.5
573.29504	1.2
573.37903	20.5
574.37970	3.0
615.39081	1.3
635.39630	1.5
640.98810	1.2
653.40302	3.6
669.39185	1.2
699.41083	2.2
717.41907	2.9
735.45282	7.2
736.45050	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	735.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33918	1.1
56.95436	0.9
58.06598	1.6
58.92261	1.1
60.08176	2.6
65.91375	0.9
67.05508	2.4
69.53838	1.0
70.35363	3.0
75.86950	1.2
76.58274	1.0
81.07073	1.4
86.09704	5.6
93.07067	2.3
95.08632	2.0
98.22537	1.5
109.10168	2.3
115.46159	1.3
125.00044	4.0
167.14226	1.1
184.07352	21.4
217.96086	1.1
219.06337	1.2
221.98013	1.1
236.14966	4.5
267.16010	1.3
286.82120	1.3
344.67725	1.2
562.99615	1.3
735.44391	100.0
736.44592	16.7
736.59839	2.9
743.34314	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	735.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15609	0.2
53.03935	0.3
55.01880	0.5
55.05514	2.4
55.52785	0.3
57.03448	0.4
67.05502	2.6
69.03436	0.3
69.07082	0.7
69.71305	0.9
71.08646	1.4
72.15998	0.2
79.05491	1.5
81.03423	0.6
81.07063	2.1
83.04994	0.6
83.08617	1.5
86.09737	0.3
91.05495	1.5
93.06127	0.3
93.07047	1.6
95.04983	0.8
95.08617	0.8
97.10175	1.8
99.04485	0.3
99.08098	0.6
105.07063	1.0
107.04958	0.5
107.08587	1.8
109.06470	0.3
109.10184	0.8
111.04476	0.6
111.08063	0.4
119.08585	0.5
121.06493	0.3
121.10163	0.9
125.09631	1.5
131.08565	0.3
133.10143	0.3
135.11719	0.6
137.82318	0.2
147.11676	0.5
163.11256	0.7
177.12709	0.3
184.07370	1.3
189.11293	0.5
236.14955	0.5
275.20230	0.4
279.83957	0.3
293.21103	0.8
351.17126	0.6
351.21414	10.2
352.21890	0.9
407.24042	7.6
407.29385	0.5
408.24475	0.7
416.33026	0.3
522.51135	0.3
735.46497	100.0
736.46802	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.4
55.01878	11.3
55.05512	26.5
57.03442	18.7
57.07090	1.5
59.05000	3.1
60.05660	1.8
65.03946	4.0
67.05510	50.6
69.03433	11.8
69.07069	11.8
69.44714	1.4
71.01368	2.3
71.04993	14.5
79.05495	50.6
81.03423	100.0
81.07063	48.4
83.01365	4.1
83.04990	27.3
83.08628	23.0
85.02909	18.6
85.06561	4.8
91.05486	51.1
93.07049	40.8
94.07410	2.0
95.04971	35.6
95.08606	23.2
95.09166	2.2
97.02895	12.6
97.06522	12.2
97.10173	7.3
98.23442	3.2
99.04478	6.3
99.08117	1.4
101.02417	1.8
103.05486	1.7
105.04585	2.1
105.07031	29.1
105.07679	2.8
107.04964	29.3
107.08601	23.8
109.02882	9.9
109.06546	12.0
109.10167	16.6
111.04437	11.9
111.08096	10.4
113.06021	1.9
115.05427	2.9
117.07037	10.7
119.08581	28.1
119.09349	2.4
121.06532	6.6
121.10143	16.2
123.04443	2.3
123.08092	8.8
123.11723	1.7
125.06042	2.5
125.09599	5.7
127.03918	11.0
129.05525	1.6
129.07039	13.8
131.04958	4.4
131.08569	17.4
133.06458	3.4
133.10141	14.7
135.04445	2.8
135.08105	3.2
135.11716	13.6
137.09639	2.9
142.07816	2.9
143.08594	2.9
145.06496	2.9
145.10130	19.6
147.08083	7.9
147.11688	14.3
149.06053	2.2
149.09607	8.1
153.12732	12.2
155.08623	3.5
155.10735	2.2
157.10138	12.8
159.08037	2.0
159.11786	1.7
161.06073	1.4
161.09595	2.4
163.11182	21.5
164.11514	2.1
165.12817	3.3
171.11717	3.2
173.09639	6.4
173.11681	3.0
175.11211	12.9
177.12837	1.5
181.12204	7.0
184.07350	1.6
189.11278	4.1
191.10680	11.0
193.12236	31.7
207.13855	2.1
209.11700	12.1
211.13310	33.8
211.15175	2.3
212.13652	3.0
219.13779	1.9
223.13371	5.5
227.12773	18.4
229.14319	13.6
247.13615	2.7
261.14798	1.5
265.14349	7.8
267.15900	41.4
268.16312	3.9
273.18457	3.0
281.17566	4.2
283.15427	20.4
285.16971	28.4
286.17343	1.8
291.19537	2.9
297.17014	6.8
353.16013	4.9
409.79175	1.5
421.25885	12.9
427.19687	23.6
428.20135	1.6
445.25552	1.7
455.89224	1.5
457.25864	10.3
461.29065	1.9
471.27222	4.0
475.26929	27.1
476.27542	1.6
489.28589	13.5
493.27957	41.3
494.28378	5.3
507.29678	3.5
557.34302	2.4
575.35229	1.8
600.14001	2.1
619.30927	10.3
637.32202	42.7
638.32233	7.1
655.32831	1.8
676.43066	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	736.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.9
55.05447	9.2
55.05733	1.3
57.03373	3.8
57.07011	27.6
57.07325	3.5
58.07365	0.6
59.04950	0.7
61.02859	2.7
65.03889	0.8
67.05431	33.7
67.05828	3.3
69.03369	1.2
69.06997	8.5
69.50986	1.2
69.51382	1.7
71.04919	15.7
71.05341	1.0
71.08559	18.6
71.08990	1.4
73.02846	0.5
73.06501	0.7
73.89730	0.5
79.05415	8.8
81.06977	68.5
81.07718	2.3
82.07349	1.1
83.04906	2.7
83.05365	1.0
83.08624	11.7
83.09058	0.8
85.02826	2.0
85.06553	7.9
85.10100	12.2
91.03902	0.9
91.05489	13.0
93.07043	7.2
95.04890	0.7
95.08611	20.1
95.09160	1.0
96.66128	0.6
97.02845	1.1
97.06538	2.7
97.10180	5.3
97.53423	0.5
99.08004	1.0
99.11691	0.6
105.07031	6.1
105.07687	1.1
107.08607	6.6
109.06449	1.1
109.10167	11.6
111.08007	1.0
111.11650	1.4
117.06951	1.3
119.08492	1.0
121.10148	3.0
123.11715	14.2
127.03849	0.8
131.08473	1.9
133.10136	13.5
135.11609	2.0
137.13203	1.3
149.13254	3.4
151.11205	6.0
159.11615	2.7
169.12149	1.4
177.12640	2.1
183.13875	3.1
187.13309	4.5
195.13722	1.6
201.14702	0.6
209.15329	0.6
239.23636	1.1
243.15903	0.8
253.17821	0.6
257.17407	1.2
269.17490	6.3
296.17529	0.7
301.20132	22.8
302.20367	1.5
313.27380	24.0
314.27707	1.7
331.86481	0.6
335.25674	0.7
479.07935	0.7
481.38904	98.4
482.39276	11.6
492.85822	0.7
495.40598	5.0
507.40475	7.8
508.40903	1.0
539.43103	100.0
540.43408	13.6
685.71228	0.6
737.49957	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	736.6082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05460	2.2
56.04999	0.8
57.03436	5.6
57.06802	0.4
57.07070	4.7
58.03746	0.5
58.06551	36.4
58.06872	2.2
59.06892	0.7
59.07381	8.5
60.08167	9.1
62.31347	0.5
62.85301	0.5
67.05512	5.5
69.07010	1.7
69.25108	3.4
71.08638	3.1
73.02879	0.9
75.04485	2.5
79.05434	2.0
81.07047	5.5
83.08568	1.5
84.08103	1.1
85.02850	2.1
85.10163	0.5
86.09665	0.5
86.82379	0.5
87.04472	3.6
90.79907	0.5
91.05428	1.0
93.06990	1.6
95.08611	4.3
97.06524	0.7
98.22593	0.9
101.05927	0.5
102.05544	0.9
103.03906	0.9
105.05460	1.1
107.08573	0.7
109.10108	2.1
113.05940	1.2
118.17186	0.5
123.11652	0.5
131.07016	1.7
144.10204	15.4
152.41245	0.5
162.11273	5.0
162.75125	0.5
218.13898	1.1
224.48119	0.5
236.14929	100.0
237.15283	4.7
297.39413	0.5
313.27194	0.8
369.30377	0.7
395.81805	0.6
412.37848	1.4
456.36777	7.1
474.37891	15.5
475.38559	2.3
480.36591	2.7
498.37964	5.2
499.38553	0.8
730.29285	0.5
736.61133	69.9
737.61475	13.4
769.95911	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	737.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.6
55.01878	11.6
55.05518	56.5
57.03440	12.4
57.07085	3.1
59.05011	3.8
61.02934	25.8
65.03948	6.6
67.05511	89.5
68.05826	2.6
69.03436	22.0
69.07079	26.1
69.66982	3.0
69.67380	6.3
71.05002	36.3
73.02920	10.9
74.34007	1.3
76.58765	1.4
77.03926	1.7
79.05502	74.8
81.03429	39.6
81.07067	100.0
83.04987	15.9
83.08624	31.5
85.02914	24.0
85.06552	10.2
87.27409	1.6
91.03964	9.5
91.05491	68.3
92.05819	3.0
93.07054	69.3
95.04977	29.5
95.08614	47.1
97.02903	19.4
97.06535	13.5
97.10182	20.6
99.04469	9.4
99.08110	5.7
101.02390	2.8
103.05501	3.2
105.04498	3.5
105.07037	57.3
107.04964	14.2
107.08607	42.3
109.02913	7.4
109.06525	15.0
109.10169	27.2
110.10505	2.5
111.04432	9.6
111.08111	8.8
113.06041	2.3
115.05463	4.7
116.06276	1.5
117.07029	27.7
119.08590	42.0
121.06538	6.7
121.10156	30.8
123.08070	11.0
123.11710	8.6
125.06000	2.8
125.09638	21.4
127.03979	7.7
128.06274	7.1
129.05507	4.8
129.07031	25.0
130.07791	4.6
131.08580	43.9
133.06509	5.5
133.10135	34.5
133.11058	2.6
134.10507	2.4
135.04358	1.5
135.08052	10.9
135.11690	15.3
137.09618	4.3
139.11220	3.1
141.07004	8.1
142.07822	4.5
143.08589	25.6
145.06512	2.9
145.10124	37.3
146.10579	2.1
147.08087	7.1
147.11710	19.0
148.09215	1.4
149.09636	15.2
149.13307	6.4
151.11153	8.6
153.07045	3.3
153.12790	2.7
155.08563	14.7
156.09351	3.3
157.10139	27.4
159.08113	6.0
159.11696	32.1
161.09622	8.3
161.13228	8.4
163.11212	14.6
165.07018	2.6
165.12791	4.8
167.08589	5.9
169.10152	18.3
171.08028	1.6
171.11661	17.8
173.04529	7.2
173.09630	7.2
173.11864	3.3
173.13243	15.4
175.11198	7.4
175.14845	3.2
177.12766	5.0
179.08630	3.1
180.09326	2.1
181.10162	10.0
182.10939	2.5
183.11725	18.3
183.13646	2.5
185.09683	3.8
185.13278	10.6
187.11253	5.9
187.13351	3.8
187.14684	7.3
189.11256	12.5
189.12735	3.1
193.10127	3.2
193.12286	2.5
194.10934	1.6
195.11743	12.1
195.13670	3.4
197.13257	10.6
199.11278	2.7
199.14876	5.6
201.12851	4.1
203.14401	1.8
205.12253	3.2
207.11729	4.6
209.13327	9.7
210.13808	2.4
211.11177	2.1
211.14839	6.5
213.12825	3.9
213.16536	2.0
219.11807	2.4
219.17488	1.5
221.13252	5.2
221.15216	1.9
223.13019	12.8
223.15097	3.8
223.16693	1.8
225.16437	3.0
227.12727	13.7
231.13872	1.7
233.13400	2.1
235.14848	3.4
236.81165	1.5
237.16483	3.4
240.18274	1.8
247.16982	3.0
257.19070	4.9
259.20551	3.3
261.18579	2.4
267.16116	4.1
273.18716	3.2
275.17072	2.5
275.20050	23.1
276.20490	3.1
283.20648	4.8
283.75397	1.6
285.22128	4.4
287.20169	2.2
293.21149	12.7
297.22156	2.4
299.20468	3.0
299.23596	9.7
301.21725	2.0
309.22113	2.1
313.21756	2.3
321.22318	2.7
325.21591	1.9
339.18112	1.7
349.23892	6.4
351.23453	1.8
353.24561	1.7
363.22641	1.8
367.24783	2.9
369.95685	1.8
371.25797	1.9
405.31442	2.0
415.29846	6.1
421.25772	4.2
433.31122	19.0
434.31339	2.7
443.28058	6.3
451.32230	12.8
461.28879	2.4
465.33594	2.1
469.33316	9.2
471.32629	1.7
472.51520	1.6
483.34915	2.5
499.34079	3.1
507.35007	9.2
517.35272	27.7
518.35602	3.8
525.35797	71.6
526.36084	9.7
535.36499	2.5
539.37451	2.9
541.35150	3.5
543.36853	90.4
544.36981	13.5
549.37817	2.5
557.38727	17.8
558.38098	4.8
575.39508	35.3
576.39624	5.3
593.40417	2.5
651.38190	2.1
669.39691	2.1
679.40082	4.1
687.40820	6.3
705.41705	6.0
716.93079	1.6
719.42175	4.4
737.43402	26.5
738.43939	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	738.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
55.05515	3.9
56.16216	1.0
56.38732	1.0
57.03445	2.1
59.97383	0.9
66.63082	1.1
67.05508	5.4
69.07058	1.4
69.96648	4.1
71.05001	1.7
79.05486	5.3
81.03420	13.6
81.07050	5.9
83.05020	2.3
83.08613	5.0
83.67194	1.1
85.02919	1.2
91.05477	6.1
93.07043	5.8
95.04401	1.5
95.04979	8.6
95.08628	2.0
97.10181	2.8
97.40244	1.0
105.07066	3.9
107.04993	4.8
107.08619	4.6
109.06540	2.2
109.10180	2.3
111.08076	1.3
115.05495	1.1
117.07058	2.1
119.08615	3.3
121.06527	4.0
121.10131	2.3
125.09676	3.0
129.07042	1.8
131.08601	2.5
133.10170	2.4
137.06033	1.1
145.10207	1.6
147.08110	1.3
147.11757	1.6
157.10204	1.8
160.07388	3.8
163.11224	1.9
175.11224	2.0
177.05573	1.6
186.05273	12.3
187.06004	1.8
189.05338	2.0
189.11275	1.9
193.12323	5.2
211.13170	1.3
215.03299	2.9
267.15909	15.6
283.15515	2.2
308.63681	1.1
322.10510	1.4
336.12079	15.3
339.23209	1.0
342.73172	1.0
352.11722	3.6
353.12231	2.2
366.68176	1.2
367.23010	3.4
385.23755	5.0
393.09869	1.3
403.25104	1.1
408.11896	3.3
441.26532	1.3
449.12418	1.7
459.27460	24.9
459.33368	1.8
460.27844	2.4
473.25296	1.5
477.28455	18.2
480.22693	1.2
554.17102	1.3
605.43091	1.1
738.25208	100.0
739.25464	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.9
53.03948	4.2
55.01872	5.0
55.05519	19.6
57.03444	15.7
59.05013	2.1
61.02921	1.2
65.03953	1.3
65.62914	0.9
67.05510	22.9
69.03432	3.8
69.07072	5.8
69.85014	1.9
69.85400	1.6
71.01340	1.7
71.04993	3.1
79.05502	25.6
81.03424	81.0
81.07062	26.8
81.07527	1.7
82.03766	1.3
83.04997	9.0
83.08625	23.3
84.01915	1.0
85.02924	5.0
85.06577	2.3
91.03957	0.9
91.05491	32.5
93.07058	23.6
95.04975	29.8
95.05561	1.9
95.08617	9.9
97.02892	7.3
97.06542	4.0
97.10172	6.8
99.00826	12.6
99.04485	1.2
99.65866	1.1
103.05495	1.7
105.04559	1.2
105.07039	26.4
107.04965	13.2
107.08607	12.5
109.02881	10.9
109.06531	7.6
109.10171	5.2
111.04473	4.3
111.08081	11.5
113.06023	1.3
115.03925	1.7
115.05477	1.5
117.07020	4.1
119.04932	1.4
119.08598	20.1
121.06524	10.7
121.10165	6.4
121.86249	0.9
123.04446	3.0
123.08075	5.4
123.11727	1.9
125.09637	5.7
127.03947	2.4
128.06244	1.6
129.07010	10.0
131.08583	10.8
133.06516	4.6
133.10139	32.5
134.10480	1.2
135.08058	2.6
135.11684	3.1
137.06032	2.4
137.09579	1.5
139.07506	0.9
142.07788	2.2
143.08562	4.4
145.06509	3.2
145.10092	4.5
147.04437	1.7
147.08043	4.3
147.11708	8.3
149.09619	4.8
151.11179	9.0
151.52879	1.0
153.06865	1.2
153.09061	1.0
157.10143	11.2
161.09642	18.9
162.10065	0.9
163.07558	1.0
163.11203	4.0
165.12750	1.0
167.10677	0.8
171.08092	4.2
175.11201	9.9
179.10713	7.2
185.09634	1.0
189.09158	9.5
189.11220	3.9
191.10721	1.7
193.12257	24.7
197.11725	1.1
205.12299	1.2
207.10213	3.5
209.11729	1.9
211.13287	10.8
219.13777	8.6
225.11168	11.5
225.12949	1.1
227.12778	3.5
234.30597	0.9
241.14502	1.2
243.12268	1.5
267.15930	100.0
268.16251	5.9
281.13721	4.6
283.15479	4.2
285.17044	10.0
299.14908	69.7
300.15259	3.3
301.16623	1.1
367.22717	2.3
381.20798	1.7
385.23734	3.4
386.24066	1.2
389.22952	1.3
399.21442	1.4
403.24466	1.5
407.24234	1.6
417.22757	2.1
433.25952	2.0
441.26489	1.6
445.26001	8.1
446.26361	1.4
455.24405	1.3
459.27539	19.1
460.27850	1.5
463.27020	6.6
464.27307	1.2
473.25293	21.8
474.25684	2.2
477.28537	15.3
478.28726	1.6
491.26385	77.9
492.26810	7.2
509.27148	5.1
533.27380	1.2
541.28912	1.1
634.94019	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	738.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.01873	4.0
55.05521	17.0
57.03450	15.5
57.25508	1.8
61.89491	1.8
65.03931	2.1
67.05507	35.8
69.03428	6.4
69.07063	8.6
71.05011	10.2
79.05499	41.4
81.03423	100.0
81.07063	42.6
81.36005	1.6
83.04990	22.1
83.08624	30.7
85.02910	27.5
91.05488	55.0
93.07047	20.9
95.04974	38.3
95.08593	12.9
97.02901	6.4
97.06544	6.3
97.10172	7.4
98.23463	2.9
99.08102	1.6
103.05489	1.8
105.07037	35.0
107.04966	13.2
107.08594	9.9
109.02873	3.8
109.06533	6.2
109.10175	4.6
111.04444	4.6
111.08080	12.4
115.05477	2.6
117.07063	4.1
119.08588	25.9
121.06550	4.2
121.10151	12.7
123.08077	3.6
125.09624	4.1
127.03935	2.6
129.05498	2.1
129.07022	15.7
131.08586	18.8
133.06500	4.9
133.10124	21.2
133.17009	1.7
137.09615	1.9
137.93823	1.6
142.07759	4.7
143.08554	2.9
145.06473	2.2
145.10146	4.5
147.08052	4.3
147.11707	24.7
149.09642	8.8
151.11205	2.7
157.10115	22.1
163.11194	2.9
165.12769	4.1
175.11241	21.4
176.35500	1.9
177.12692	1.7
193.12244	51.7
194.12489	1.7
211.13292	54.2
212.13547	3.5
227.12785	2.7
229.14359	3.9
231.41609	1.7
249.14883	2.5
267.15918	74.9
268.16138	3.9
273.15115	2.4
285.16989	35.7
286.17261	3.4
299.15021	3.6
322.08423	1.6
349.21304	2.3
367.22644	4.2
385.23709	5.4
403.24957	2.0
411.20029	2.5
429.21048	7.7
433.25995	3.3
441.26288	3.3
445.25671	2.2
459.27414	50.1
460.27661	6.0
465.79053	1.8
477.28528	38.0
478.28894	3.5
491.26282	4.0
495.29617	58.2
496.29550	6.2
557.27777	2.7
585.29791	2.1
621.31818	3.5
639.33728	20.1
659.83813	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	738.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.9
53.50016	1.3
55.01872	11.1
55.05515	32.9
57.03440	20.0
57.07081	3.3
59.05006	4.6
61.02926	4.1
65.03945	4.4
65.33662	1.6
67.05508	87.1
68.00886	1.5
68.05846	2.2
68.26308	1.9
69.03429	15.9
69.07068	24.0
71.01366	3.4
71.05000	15.0
71.28620	1.8
73.02926	4.3
79.05499	68.7
81.02930	2.5
81.03426	69.0
81.07062	100.0
82.07382	4.0
83.04983	20.8
83.08625	26.7
85.02905	14.7
85.06541	8.1
87.04479	4.2
91.03983	3.6
91.05487	51.4
93.07047	65.6
93.07637	4.0
94.84367	1.6
95.04977	31.5
95.08610	32.9
97.02885	17.8
97.06534	15.8
97.10178	11.2
98.03685	3.8
99.04482	7.7
99.08082	3.5
101.48169	1.7
105.04526	2.0
105.07039	35.3
106.07384	1.6
107.04971	15.8
107.07875	2.1
107.08605	37.8
109.02884	8.8
109.06528	8.1
109.10160	27.7
110.07354	1.6
111.04461	13.3
111.08088	11.2
113.05984	4.1
117.07039	14.4
119.08574	24.9
121.06531	6.4
121.10146	24.2
123.04429	7.2
123.08081	6.9
123.11710	6.1
125.06037	2.8
125.09657	13.4
127.03937	9.9
129.05499	3.4
129.07025	8.4
130.07823	2.5
131.08571	18.9
133.06483	1.9
133.10130	20.8
135.04431	2.2
135.08075	6.7
135.11684	19.4
137.09596	4.1
143.08591	4.1
145.06496	3.0
145.10109	12.1
147.08061	4.7
147.11690	15.4
149.09605	9.0
149.13264	21.7
151.11208	3.3
152.92427	1.9
153.05457	3.3
153.09106	3.3
153.12791	9.7
155.08507	2.9
157.10149	5.6
159.11661	14.2
159.94237	1.6
161.09631	1.8
163.11201	19.7
165.12784	3.2
169.10030	2.0
171.11679	2.7
173.04486	16.3
173.09543	2.2
173.11827	8.6
173.13219	2.4
175.11214	5.6
177.12794	6.5
181.12318	6.8
185.13235	1.8
189.11244	5.5
191.10664	10.6
193.12228	12.5
195.13829	13.8
199.06006	5.5
199.13275	5.2
209.11803	7.7
211.13272	10.3
221.15404	2.3
223.13203	4.0
224.14064	2.5
227.12753	14.5
229.14412	9.1
249.14871	2.0
251.16457	2.2
265.14389	6.0
267.15939	18.3
269.17487	45.6
270.17810	3.3
275.20032	9.9
283.15390	15.7
284.15863	1.8
285.17096	2.8
291.19669	4.3
293.21228	3.9
297.16803	1.9
349.23807	4.9
365.26938	3.3
383.27737	2.2
393.18909	2.1
411.20187	2.1
411.27347	2.0
423.27457	50.5
424.27902	5.8
427.20667	1.9
431.27713	2.3
432.55835	1.8
437.28372	2.8
445.20221	3.0
449.29092	5.8
459.27194	2.5
461.29071	3.0
469.31375	1.9
477.28552	18.6
478.28909	4.2
479.29971	2.8
495.29453	11.2
541.35437	4.0
559.36255	9.1
623.34064	3.3
639.33374	5.8
721.41241	2.1
738.36798	9.5
739.38733	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	738.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01873	12.3
55.05511	26.3
57.03443	12.4
57.07076	11.8
58.06594	38.0
60.08156	14.2
60.60187	9.0
67.05504	93.8
69.07066	19.8
71.08617	11.4
71.30083	10.0
72.46474	9.5
79.05494	100.0
81.03396	9.1
81.07062	79.4
83.08626	21.1
86.09721	22.7
91.05509	51.1
93.07049	82.7
95.04974	33.0
95.08605	57.4
105.07014	37.5
107.08595	30.9
109.06508	15.4
109.10197	10.3
109.87103	8.8
117.07026	13.7
119.08578	35.6
121.10158	18.9
121.23331	9.5
129.06987	16.2
147.11694	33.4
151.06403	10.2
171.11673	25.2
184.07335	59.6
207.13812	14.8
236.14822	80.9
237.15260	18.7
261.21997	11.0
274.64777	9.3
281.17529	74.5
303.83020	9.2
335.25864	58.0
446.26053	10.2
474.37741	14.3
541.38843	93.8
542.39099	17.8
589.98566	11.8
737.48126	10.7
737.61609	20.0
738.61859	89.4
739.45203	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	738.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.05044	0.8
57.03444	0.3
57.07083	0.7
58.06631	0.4
59.47969	0.1
60.08169	6.1
64.59032	0.1
67.05512	0.8
69.07100	0.3
71.07379	3.5
71.08633	0.6
77.83651	0.2
79.05504	0.5
80.65203	0.1
81.03414	1.7
81.07062	0.9
83.08643	0.4
85.10197	0.4
86.09712	30.8
87.10047	0.7
91.05490	0.6
91.94005	0.1
93.07065	0.4
95.04964	0.5
95.08615	0.7
98.23354	0.5
98.98470	3.2
102.27531	0.1
104.10748	2.1
105.07023	0.4
107.04951	0.2
107.08615	0.3
109.06550	0.2
109.10102	0.2
119.08579	0.2
121.10164	0.2
125.00013	19.9
129.07051	0.3
131.08562	0.3
133.10133	0.3
143.01010	0.2
145.10078	0.2
147.11694	0.2
184.07355	100.0
185.07732	1.8
193.12265	0.7
221.15430	0.2
228.85873	0.2
267.15958	2.4
312.63348	0.2
313.27341	2.2
500.63196	0.2
505.38889	1.4
595.22241	0.2
607.07953	0.2
688.45538	5.1
689.46429	0.8
701.29950	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	738.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.05513	17.7
57.03431	2.3
57.07082	4.1
58.06606	4.1
60.08158	2.3
65.03930	1.7
67.05505	61.2
69.07068	17.1
70.43888	1.9
70.44230	2.2
71.08638	2.2
79.05496	26.6
81.07059	60.0
83.08621	6.9
85.05266	2.0
91.05478	16.3
93.07047	31.3
95.04979	3.7
95.08611	35.7
97.06540	2.5
97.10178	3.4
98.06057	8.4
105.07033	11.0
107.08591	11.7
109.10162	14.8
112.07605	1.3
117.07010	2.9
119.08564	7.6
121.10160	11.0
123.11704	5.6
131.08607	3.9
133.10132	5.1
133.26051	1.5
135.11719	6.8
137.13168	1.6
144.10172	2.6
145.10072	1.7
147.11682	2.9
149.13246	4.3
161.13319	2.6
162.89857	1.1
173.13182	1.8
177.54105	1.4
236.14938	13.9
237.15381	1.5
261.22113	1.8
263.23761	2.2
299.67670	1.7
304.26367	28.2
305.26736	3.0
305.33182	1.3
306.27878	33.2
306.31335	1.6
307.28299	3.7
335.25720	12.8
337.27383	10.9
474.37927	2.0
597.48767	100.0
598.49091	14.0
630.89764	1.7
738.52087	2.9
738.61749	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	740.2675
Annotation	Lissoclinamide 5
Peak:m/z	Relative Intensity
67.05493	0.9
69.49277	2.1
79.05484	1.0
81.03445	1.5
81.07068	1.2
83.04987	0.5
83.08617	0.5
85.02934	0.5
91.05495	1.3
93.07065	0.8
95.04980	0.7
95.08611	0.7
98.22639	0.5
105.07050	0.7
107.04979	0.6
107.08635	0.6
109.06479	0.5
109.10173	0.6
119.08589	0.8
121.06491	0.8
121.10112	0.8
136.14424	0.4
137.06039	0.4
145.02887	1.2
146.03281	0.4
152.45819	0.4
159.53679	0.4
160.07430	0.9
163.11223	0.6
169.45201	0.4
177.05435	2.5
186.05272	3.1
189.05249	1.0
193.12305	0.8
209.11719	0.5
267.15952	1.2
283.15436	1.2
301.16537	0.5
336.12030	3.0
338.04559	0.4
352.11465	0.4
361.10913	0.7
377.10004	0.6
379.11230	0.9
380.12140	0.6
392.12546	0.8
394.14001	1.5
395.11075	0.8
410.13565	1.5
411.14273	0.6
451.13321	0.9
457.25980	0.8
475.26913	1.1
493.27957	1.7
498.15195	0.6
508.17368	0.5
510.15176	0.5
512.16980	0.6
513.17932	0.5
514.18378	1.0
524.16815	0.7
526.18829	0.6
528.16406	2.5
542.18146	1.1
543.18726	1.6
544.19141	0.5
556.19647	1.3
558.21387	0.5
588.22827	0.6
635.71667	0.7
692.24744	0.5
710.25696	1.8
740.26740	100.0
741.27161	15.9
741.38129	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	740.2676
Annotation	Lissoclinamide 5
Peak:m/z	Relative Intensity
67.05504	2.2
71.05043	0.6
71.30404	1.0
79.05479	1.1
81.03429	2.7
81.07056	2.2
91.05487	1.9
95.04967	1.5
105.07035	1.2
107.08582	1.0
131.08572	1.0
137.06010	1.5
145.02884	1.2
147.04373	1.4
160.07385	3.2
161.04463	0.8
163.11195	0.7
177.05508	2.8
181.21330	0.7
184.07433	1.2
186.05284	12.2
189.05240	1.2
204.30785	0.7
211.13478	0.8
215.03232	2.1
228.06444	0.9
241.26817	0.8
263.35461	0.8
267.15994	0.8
267.63428	0.8
269.51886	0.7
310.79352	0.9
322.10513	1.1
331.08035	1.3
336.12079	12.4
336.16028	1.0
352.11493	1.5
395.11133	2.9
395.33688	0.8
410.13437	5.9
411.14444	0.9
447.27368	0.7
460.27469	0.9
475.26984	2.2
493.28067	0.9
506.17957	0.9
648.79260	0.9
710.25684	0.9
740.26666	100.0
741.26862	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.5
53.54124	2.7
53.86758	2.4
55.01873	14.2
55.05519	28.3
57.03444	20.5
59.05007	3.5
61.02911	3.1
64.75632	2.9
67.05181	4.4
67.05514	50.9
69.03445	8.6
69.07085	14.0
71.04996	5.2
73.02901	4.2
79.05499	36.4
81.03423	100.0
81.07058	39.4
83.04986	22.5
83.08629	30.0
85.02907	5.3
85.06539	4.4
91.05498	37.6
93.07054	32.9
95.04989	37.9
95.08606	16.5
96.05292	3.5
97.02911	9.4
97.06550	10.0
97.10162	14.2
98.07313	4.6
99.04494	3.2
105.07044	29.1
107.04987	17.8
107.08606	22.5
109.06559	6.8
109.10174	15.4
111.04421	14.1
111.08106	17.4
113.05988	2.9
116.04724	10.4
117.07050	7.0
119.08602	21.5
120.71554	2.7
121.02863	3.6
121.06518	10.7
121.10152	12.4
123.08054	5.0
125.09632	13.7
129.05487	21.2
129.07021	11.3
131.04962	2.5
131.08575	15.9
133.06548	5.3
133.10139	9.3
135.04436	3.9
135.08070	3.3
135.11693	11.3
137.06030	3.4
137.09616	4.7
142.53534	2.4
143.07002	4.0
143.08615	3.2
145.10146	8.4
147.08092	6.6
147.11699	10.4
149.09633	8.1
153.09131	4.9
153.12752	22.1
157.08621	9.7
157.10153	12.7
158.28755	3.0
159.11784	3.3
163.11203	21.3
171.10211	4.0
173.11784	4.4
173.13242	3.4
175.11185	10.7
177.05540	4.4
181.12195	17.5
189.11208	14.4
191.10669	10.0
193.12257	35.0
194.12701	2.9
199.13269	4.1
201.12856	2.8
201.14944	4.0
208.11609	2.8
209.11737	9.3
211.13310	10.0
219.13823	3.6
227.12825	30.9
229.14323	11.9
247.13342	24.7
249.14857	3.3
265.14420	3.4
265.59708	2.8
267.15927	73.1
268.16235	4.6
283.15427	17.9
285.16910	3.4
301.16492	35.0
302.16833	2.7
321.17087	6.3
331.08130	5.6
359.54861	2.8
383.21948	4.3
439.26926	3.6
447.27393	4.3
461.28732	5.7
473.41953	3.3
475.26959	14.0
493.27933	36.5
494.28412	3.9
647.82379	3.4
740.26172	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	740.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01870	1.8
55.05511	6.4
57.03443	4.7
57.07082	0.8
61.02936	1.0
65.03930	0.8
67.05511	22.8
67.34579	0.7
69.03446	1.0
69.07081	3.5
71.05001	9.4
71.29151	0.8
79.05498	12.5
81.03424	20.7
81.07063	31.8
82.07406	0.8
83.04988	2.6
83.08626	7.1
85.02902	0.9
85.06551	4.3
86.09709	0.7
91.05488	14.3
91.06016	1.2
93.07045	8.8
95.04971	12.4
95.08605	6.5
97.06544	2.5
97.10158	3.0
105.07042	9.5
107.04967	8.1
107.08598	7.7
109.06529	8.2
109.10172	4.0
111.08079	2.3
115.05502	0.8
117.07045	4.1
119.04918	0.7
119.08581	5.9
121.06519	6.9
121.10146	5.1
123.04442	0.6
123.08067	2.1
123.11725	4.3
125.09641	3.9
129.07002	4.1
131.08565	7.4
133.06525	2.2
133.10136	8.4
135.08038	3.1
135.11705	1.9
137.09631	0.9
141.07004	1.2
142.07849	0.8
143.08594	2.1
145.06502	2.0
145.10101	3.3
147.08054	3.0
147.11719	2.9
149.09662	2.8
149.13338	1.7
151.11224	1.8
155.08543	1.1
157.10155	2.6
159.08034	1.2
159.11731	2.0
161.09666	1.3
161.13235	0.6
163.11217	1.9
169.10123	1.1
171.11705	1.5
172.95615	0.7
173.13197	1.4
175.11177	2.9
177.12798	1.2
183.11746	0.8
184.07314	1.2
185.13310	0.9
187.13403	1.1
189.11244	1.6
191.10719	0.7
191.14365	1.6
193.12248	3.9
195.13847	1.1
197.13167	0.7
205.12396	0.8
217.15965	1.4
219.13850	3.8
229.39267	0.8
249.14853	0.7
257.17624	0.7
267.15915	8.8
269.17593	1.4
273.14740	0.7
275.16510	1.2
301.19907	3.7
325.21616	0.7
334.02615	0.6
343.22739	3.9
351.23032	1.1
361.23697	1.2
369.24124	2.9
371.25766	0.7
407.25653	1.0
417.26453	3.7
425.27057	1.7
435.27402	15.9
436.27695	1.8
443.27957	8.1
444.28491	1.5
461.28979	100.0
462.29373	10.9
475.30637	1.0
493.31540	5.3
494.31735	0.8
503.30240	0.8
508.32413	0.6
535.32574	0.7
587.31927	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01873	7.1
55.05513	24.9
57.03196	1.6
57.03441	18.9
57.07069	3.8
59.05004	2.7
61.02938	7.1
65.03923	2.3
67.05508	59.3
68.05846	1.9
69.03435	2.4
69.07066	15.2
69.54724	3.4
69.55138	2.8
71.01341	1.7
71.04987	5.2
71.08644	1.7
79.05021	1.5
79.05494	52.6
81.03427	13.7
81.07059	63.6
82.07391	2.2
83.01340	7.6
83.04985	11.9
83.08624	16.3
85.02901	7.9
85.06523	2.4
86.09703	2.1
91.03973	2.6
91.05484	34.1
93.07049	64.2
94.07394	2.0
95.04964	10.4
95.08610	45.0
97.02893	4.8
97.06531	6.8
97.10177	4.5
98.22686	2.2
99.04452	2.9
105.07044	21.2
107.04971	7.3
107.08596	36.3
109.06527	8.7
109.10158	14.8
111.04446	1.4
111.08086	3.3
117.07029	13.3
119.08584	19.6
121.06510	3.9
121.10141	24.4
123.07318	1.4
123.08049	7.3
123.11694	4.7
124.99983	1.7
125.06017	1.7
125.09630	3.9
129.06982	2.0
130.07840	1.6
131.08592	12.8
133.10135	11.4
135.08054	2.5
135.11694	26.2
137.09517	2.7
137.13235	1.7
143.08592	2.1
145.10132	22.9
147.08061	2.6
147.11702	4.8
149.09613	1.7
149.13229	5.6
153.12718	3.7
155.08546	1.9
159.11719	5.0
161.13237	3.9
163.11186	29.4
163.14836	3.5
164.11563	1.8
173.09619	3.4
173.13310	6.1
175.14893	1.7
177.16478	1.4
181.12228	4.0
184.07344	5.4
187.14816	2.7
189.11209	1.3
191.10663	3.5
209.11755	6.4
227.12791	20.9
243.21126	4.1
259.20667	1.6
261.22128	20.3
262.22485	1.7
267.15985	2.5
268.16058	1.3
269.17569	2.4
275.20169	2.9
283.15402	92.0
284.15753	4.2
299.23712	5.2
317.24728	3.6
335.25815	100.0
336.26047	10.3
346.19431	1.3
349.23816	1.4
433.31253	1.7
451.31781	3.4
496.32416	1.2
518.35907	1.2
525.35608	3.7
543.36847	73.5
544.36981	10.8
561.37567	3.1
598.64093	1.4
730.79883	1.6
741.43628	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01871	3.0
55.05518	10.3
57.03434	3.4
60.20441	0.8
61.02927	1.2
67.05509	20.8
67.05890	1.4
69.03415	1.1
69.07076	12.6
69.68699	0.9
79.05496	18.4
81.03429	2.7
81.07056	34.0
82.07449	0.8
83.04971	4.5
83.08640	5.2
85.02928	1.1
85.06536	1.5
86.24123	1.0
91.05478	21.6
91.06018	1.7
93.07047	18.7
95.01370	1.4
95.04992	4.3
95.08610	13.1
97.02890	0.9
97.06544	5.3
97.10150	1.4
98.22555	2.2
104.04482	0.9
105.06380	1.8
105.07035	22.0
105.44249	0.9
107.04968	6.0
107.08601	10.9
109.06524	4.1
109.10174	4.6
110.63602	0.8
111.08077	1.4
114.84530	0.9
117.07012	5.9
119.08582	13.9
121.06517	2.6
121.10136	6.6
123.11721	1.7
129.07025	3.1
131.08566	8.7
133.06519	1.0
133.10146	12.7
135.08054	2.3
135.11728	3.6
137.09613	1.9
141.07100	1.1
143.08569	4.2
145.06490	1.9
145.10129	5.3
147.08034	2.7
147.11676	7.0
149.09636	3.3
149.13290	3.4
151.11247	1.2
155.08522	2.0
157.10120	3.8
159.08072	1.2
159.11655	5.8
161.13335	1.8
163.11150	1.5
165.12778	1.9
165.36308	0.9
169.10107	2.3
171.11693	1.7
173.09561	1.5
173.13321	1.7
175.11148	1.0
177.12758	1.7
179.14270	1.6
183.11710	1.6
184.07304	1.1
185.13196	1.4
187.11159	1.3
195.11734	1.1
197.13261	1.5
199.11018	1.5
211.14862	1.2
259.20517	2.4
267.15979	2.3
269.17520	14.7
275.20081	13.9
308.73508	1.1
349.23730	7.0
433.30896	1.7
451.32037	3.3
469.33170	2.3
479.36316	1.0
492.99942	1.0
515.37463	2.2
525.35736	9.2
543.36810	100.0
544.37219	13.3
561.37854	4.1
686.05017	1.1
687.41095	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01866	3.0
55.05516	13.5
56.14745	0.7
57.03440	8.9
57.07067	2.7
60.08155	1.5
61.02914	1.1
65.03953	2.0
67.05508	46.0
69.03428	1.9
69.07070	14.5
71.04999	3.3
73.02933	1.1
74.10603	0.7
79.05496	42.3
80.05840	1.0
81.03426	1.6
81.07060	44.4
82.07368	1.0
83.04990	3.6
83.08623	10.8
85.02917	1.5
85.06532	2.0
86.09722	5.1
91.05480	16.5
93.07047	48.9
94.07356	1.5
95.04965	7.4
95.08608	50.1
96.08943	1.4
97.02892	4.3
97.06525	5.1
97.10167	1.9
99.04453	2.9
99.08112	1.3
103.05478	0.8
104.10770	0.9
105.04502	0.7
105.07033	14.2
107.04951	6.9
107.08594	31.7
108.08935	1.1
109.06531	2.3
109.10159	12.2
111.04461	1.7
111.08085	3.2
115.92188	0.7
117.07017	8.0
119.08581	11.1
121.06534	5.0
121.10145	18.6
122.10450	0.9
123.11695	2.8
125.00005	2.3
125.06013	2.0
125.09639	0.8
130.07770	1.4
131.08568	4.4
131.28369	0.8
133.10139	7.1
135.08051	2.8
135.11699	39.8
136.12050	0.9
137.13269	1.2
139.07504	1.0
143.08530	1.2
145.10117	22.7
147.11670	4.1
149.13272	3.4
153.12735	1.1
159.11707	2.7
161.13223	2.1
163.11194	41.2
163.14825	1.8
164.11597	2.1
173.13315	1.8
177.12653	0.9
181.12209	7.9
184.07332	14.2
209.11754	2.1
227.12784	56.6
228.13120	3.9
228.94496	0.8
243.21159	1.7
252.98138	0.9
261.22217	5.3
275.19968	2.0
277.21536	2.0
283.15405	46.7
284.15845	2.1
291.19290	1.1
293.20978	1.0
306.28082	1.6
317.24881	2.4
335.25809	100.0
336.26196	8.6
354.18896	0.9
543.36823	70.5
544.37134	11.5
557.37952	1.8
625.43787	1.0
642.44897	1.1
643.44659	2.2
681.36743	2.0
740.43237	1.8
741.44556	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01867	3.6
55.05511	17.4
57.03439	10.7
57.07057	2.4
61.02917	1.7
65.03925	2.6
67.05505	50.8
68.05820	1.5
69.03419	2.1
69.06728	1.2
69.07068	16.2
69.52296	4.0
69.81606	0.7
71.04993	5.0
73.02892	1.5
79.05491	49.3
80.05822	1.2
81.03410	2.4
81.07054	55.2
82.07365	1.3
83.04977	4.4
83.08615	11.7
85.02895	2.8
85.06522	1.6
91.05482	19.5
91.90810	0.7
92.05782	0.9
92.27191	0.8
93.07043	67.7
94.07367	1.6
95.04975	8.3
95.08605	70.2
96.08944	1.8
97.02894	5.1
97.06530	5.5
97.10164	1.8
98.23302	1.7
99.04473	5.7
99.08127	0.8
103.05456	1.6
105.07031	14.9
107.04940	8.8
107.08592	44.3
108.08910	0.8
109.06506	3.5
109.09445	1.3
109.10152	12.4
109.10841	1.5
110.10445	0.8
111.04467	1.6
111.08118	1.4
113.09647	0.9
115.05403	1.2
117.07009	13.4
118.07314	1.0
119.07783	1.4
119.08581	17.9
120.08849	0.7
121.06503	6.8
121.09299	1.5
121.10139	23.5
123.08045	1.2
123.11706	2.6
125.06029	3.9
129.07007	1.1
130.07816	1.8
131.08571	5.3
133.10143	8.2
135.08043	2.7
135.11690	63.7
136.12062	1.2
137.13269	0.9
139.07523	2.2
139.36815	0.7
139.49899	0.7
143.08533	0.8
145.10121	36.7
146.10446	1.7
147.11647	3.4
149.13229	4.5
153.12723	1.3
159.11682	2.3
161.13242	1.7
163.11179	70.0
163.14888	2.1
164.11568	2.6
173.09601	1.4
173.13210	1.7
181.12225	12.5
187.14781	1.1
202.16495	0.7
209.11674	2.3
227.12772	92.7
228.13074	4.8
243.21083	3.1
258.82724	0.8
261.22153	9.0
283.15393	100.0
284.15814	5.6
317.24667	2.7
335.25790	91.7
336.26154	6.8
449.78305	0.9
469.32800	1.0
482.75629	0.8
543.36792	79.8
544.37177	9.7
599.49884	1.4
674.61224	0.9
740.41357	2.0
741.43665	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01871	3.9
55.05517	7.8
57.03437	3.3
57.07064	1.2
61.02919	1.5
65.03951	2.0
67.05510	22.8
68.40842	0.8
69.03411	1.4
69.07077	11.2
71.04987	1.6
79.05499	17.7
81.03419	3.3
81.07061	31.0
83.04981	3.2
83.08611	5.2
85.02914	1.5
85.06548	1.6
89.67052	0.7
91.05490	19.5
93.07052	20.2
95.01334	1.6
95.04966	4.0
95.08611	14.4
97.02897	0.8
97.06535	6.9
97.10179	1.8
105.07037	21.8
107.04961	6.7
107.08606	10.1
109.06519	1.7
109.10134	4.5
111.08106	1.3
115.05471	0.8
117.07029	6.7
119.08595	15.3
120.08925	0.9
121.06507	1.5
121.10168	6.7
123.04412	0.8
123.08086	1.1
123.11722	2.4
125.09668	1.2
128.06297	0.8
129.06992	2.4
131.08574	11.9
133.06496	2.0
133.10123	11.4
135.08052	1.3
135.11670	4.4
141.07001	1.1
142.07777	1.3
143.08569	3.4
145.06480	2.2
145.10135	6.0
147.08093	1.8
147.11639	5.0
149.09625	3.0
149.13274	2.1
151.11179	1.6
155.08553	2.1
157.10130	3.0
159.08138	1.3
159.11670	5.9
161.13298	1.9
163.11179	2.0
169.10118	2.0
171.11687	3.3
173.09636	1.4
173.13254	1.2
175.11215	1.1
177.12794	1.4
179.14322	1.5
181.10133	1.5
183.11707	1.9
185.13306	1.6
187.11206	1.2
195.13803	1.6
197.13251	1.5
200.86620	0.8
201.12837	1.0
204.64505	0.8
228.97359	1.0
257.19034	1.3
259.20880	0.9
267.15970	2.4
269.17444	13.9
274.21078	0.9
275.20059	12.5
279.86566	0.8
293.21201	0.9
349.23773	4.5
373.77979	0.9
420.82614	0.8
423.32547	1.2
433.30264	2.2
441.34366	0.8
451.31915	3.2
453.35239	0.9
468.88229	1.0
469.33145	2.9
515.37439	1.5
525.35760	10.0
526.35809	1.6
543.36829	100.0
544.37140	13.9
561.37604	3.0
562.37476	0.9
687.40625	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01874	8.8
55.05514	22.8
57.03440	16.3
57.07066	2.3
58.24988	0.8
59.04990	3.1
60.08159	1.1
61.02930	5.0
65.03939	2.9
67.05505	51.2
68.05824	1.2
69.03419	3.8
69.07072	13.3
69.60455	3.9
71.01345	1.6
71.05010	4.4
71.07367	0.8
73.02910	2.0
77.03916	1.0
79.05492	42.6
80.05850	1.0
80.26220	0.8
81.03425	12.5
81.07056	54.0
82.07402	1.8
83.01341	8.3
83.04987	10.9
83.08615	14.8
85.02901	8.4
85.06549	2.0
86.09713	8.0
87.10033	1.9
91.03963	1.6
91.04912	1.7
91.05479	26.1
93.07044	51.9
94.07372	1.5
95.04960	8.9
95.08604	35.5
97.02888	5.2
97.06519	5.0
97.10162	4.2
98.98477	1.2
99.04462	2.5
99.47022	0.9
105.04564	1.4
105.07034	20.2
107.04957	9.4
107.08595	28.2
108.08926	1.1
109.06532	7.4
109.10148	15.2
111.04451	1.6
111.08087	2.9
115.05412	1.4
117.07015	10.6
119.08578	18.1
120.71491	0.9
121.06504	3.4
121.10142	19.3
123.08068	8.6
123.11730	3.6
125.00008	4.5
125.05969	1.5
125.09647	3.5
129.06996	2.1
130.07751	1.3
131.08566	10.6
133.10124	9.1
135.08060	3.3
135.11685	19.8
137.09641	2.1
137.13220	1.1
143.08511	1.1
145.06462	1.1
145.10110	18.8
147.08057	2.4
147.11688	6.1
149.09673	1.5
149.13271	5.1
153.12743	2.7
153.27803	0.8
155.08516	1.4
157.10147	1.4
159.11671	6.2
161.13237	4.8
163.11186	24.9
163.14807	2.8
164.11447	1.5
171.11685	1.2
173.09645	2.7
173.13251	3.2
175.14857	2.1
177.16357	1.3
181.12306	4.0
183.11728	0.9
184.05727	1.3
184.07350	24.3
185.07703	7.0
186.07813	3.8
187.14836	2.7
189.11156	2.0
191.10681	2.3
193.12263	1.0
199.14941	0.9
201.16417	1.2
209.11728	6.7
224.72047	0.9
227.12779	12.1
236.65387	1.0
243.21071	3.1
254.97539	0.9
259.20688	1.2
261.22162	14.4
267.15933	2.3
267.90634	0.9
275.19995	1.5
283.15399	100.0
284.15707	5.0
299.23761	2.4
317.24762	5.0
318.25107	1.1
333.24222	1.3
335.25803	67.5
336.26086	4.5
349.24054	1.1
351.25525	1.1
433.31226	1.8
451.32129	1.9
469.33115	1.7
507.39484	1.2
525.35504	3.8
538.80872	0.9
538.89453	1.0
543.36853	35.8
544.36957	5.7
561.37561	2.5
575.39264	1.8
690.45850	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	741.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05510	1.8
56.96579	0.6
57.03425	0.7
67.05514	4.1
67.45929	0.5
69.03426	0.9
69.07075	1.4
70.13766	0.4
71.05009	1.0
71.27894	0.8
72.97531	0.5
79.05504	1.7
81.03425	1.5
81.07068	4.1
83.04990	0.8
83.08634	0.7
85.26142	0.5
85.61845	0.5
87.04498	0.9
91.05460	2.4
93.07070	2.4
95.04980	0.9
95.08645	1.1
105.07058	1.3
107.05020	0.5
107.08593	1.3
109.06514	0.8
109.10163	1.5
111.31455	0.4
119.08566	1.5
121.06545	0.6
121.10139	1.6
131.08597	1.2
133.10094	1.3
135.11716	0.6
157.10159	0.7
163.98087	0.6
164.15387	0.5
178.01981	0.5
184.07373	1.4
204.22520	0.5
229.14323	0.6
238.31282	0.5
267.09079	1.0
267.15646	0.6
269.17444	0.8
281.10565	0.8
285.10162	0.7
423.27658	1.3
462.29663	0.8
481.18127	0.6
485.16956	0.7
499.18762	0.5
517.20428	1.0
741.34528	100.0
742.34882	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	741.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01875	1.5
55.05516	3.5
57.02635	0.5
57.03446	3.5
57.61807	0.5
59.05011	0.8
61.02932	4.4
65.03951	0.9
67.05510	9.2
68.05835	0.9
69.03423	2.8
69.07071	2.4
69.61205	1.9
71.01392	0.7
71.04999	6.5
73.02930	3.1
79.05503	6.9
80.05849	0.7
81.03424	8.9
81.07067	11.2
81.07531	0.8
82.03780	0.9
82.07413	1.2
83.04993	1.7
83.08627	2.7
85.02911	6.8
85.03378	0.6
85.06564	1.1
86.09747	0.4
87.04494	0.7
91.03965	2.4
91.05496	7.2
91.06020	0.7
92.05840	0.9
93.07056	5.6
94.07398	0.6
95.04969	4.4
95.08613	2.9
97.02890	4.8
97.06565	1.8
97.10215	1.7
99.04471	1.6
101.02391	1.5
105.07044	4.6
106.07388	0.8
107.04945	2.7
107.08595	3.6
109.02877	1.0
109.06511	2.0
109.10154	3.1
111.04457	0.9
111.08131	1.1
115.03941	0.5
115.05468	0.4
117.07047	1.5
119.08580	2.7
120.08916	0.5
121.06525	1.8
121.10191	2.8
123.08105	0.9
123.11724	1.2
125.09677	0.7
127.03955	1.3
129.07051	1.6
131.08600	3.1
133.10143	3.1
135.08084	0.5
135.11740	1.5
137.09621	0.7
141.06989	0.5
145.04979	0.6
145.10190	1.8
147.08084	0.7
147.11707	1.5
149.09642	1.4
155.08562	0.4
157.10178	1.4
159.11752	1.0
163.11226	1.2
165.12756	0.6
171.11873	0.5
173.09727	0.4
175.11241	1.4
177.12756	0.6
177.31462	0.4
184.07420	0.7
191.10556	0.4
193.12312	1.8
211.35387	0.4
217.15816	0.5
219.14073	0.5
227.12834	0.5
229.14426	0.8
243.08376	3.3
251.12622	0.5
267.15948	1.1
268.16467	0.8
269.17404	0.6
283.15433	0.9
292.11295	0.5
295.15237	1.4
301.20065	0.5
328.94992	0.4
337.99725	0.5
343.22559	0.4
348.10834	0.4
351.17950	0.8
367.15784	0.4
382.86908	0.4
397.25983	1.0
418.26691	0.5
423.27505	0.5
435.27463	1.1
436.27878	2.6
437.29254	0.6
438.22906	0.4
444.28506	1.0
461.29007	6.0
462.29343	14.0
463.29840	0.8
465.21271	1.8
467.18433	0.5
469.20602	5.3
470.20218	0.5
471.85434	0.5
474.72858	0.5
481.20868	0.6
485.19824	1.0
494.32147	1.0
501.23245	1.8
513.22974	3.9
515.24951	0.7
517.23193	0.6
579.32245	0.7
709.34320	1.4
741.36707	100.0
742.36957	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
58.99588	2.1
59.07674	0.4
67.42254	0.4
71.05001	1.1
71.29086	0.5
76.02225	6.1
76.36765	0.3
80.05034	1.5
85.02913	1.0
86.99068	1.5
95.04971	11.1
95.48010	0.4
96.04498	1.5
101.05992	0.8
104.99431	0.6
105.00082	4.1
113.06011	2.5
121.06495	1.1
122.02732	54.1
123.04429	100.0
124.03952	90.4
124.04649	3.6
125.04259	1.7
129.05460	0.5
131.07040	1.1
149.08092	2.5
165.05476	51.3
166.05824	2.0
233.33376	0.4
275.89407	0.4
286.07147	8.6
287.07761	0.4
427.33008	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	742.414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.05036	0.7
57.03437	0.2
58.06369	0.2
58.06615	0.3
60.08167	5.7
62.30564	0.2
67.05508	1.0
69.07079	0.3
69.28646	1.1
70.06602	0.2
71.04986	0.2
71.07378	3.4
72.08138	0.3
73.98650	0.1
79.05486	0.6
81.03423	1.5
81.07070	0.9
83.04990	0.3
83.08624	0.4
86.09708	29.8
87.10039	0.7
91.05482	1.2
93.07075	1.0
95.04951	0.6
95.08590	0.3
98.98458	2.8
104.10750	2.1
105.07034	0.8
107.04972	0.4
107.08614	0.3
109.06544	0.3
109.10155	0.3
111.43700	0.2
119.08588	0.4
121.10158	0.4
123.04441	0.3
123.08064	0.2
125.00007	20.8
126.00313	0.2
129.06975	0.4
131.03419	0.2
131.08597	0.2
133.10149	0.6
143.00989	0.2
147.11710	0.2
149.09621	0.4
151.11249	0.2
153.01917	0.2
157.10037	0.2
158.62849	0.2
163.11241	0.2
173.94939	0.2
175.11165	0.2
184.07347	100.0
185.07678	2.1
193.12204	0.4
209.11681	0.3
229.14468	0.2
267.15863	0.7
301.16309	0.2
364.36920	0.2
403.24210	0.2
450.22250	0.2
459.27301	2.0
460.27682	0.3
477.28580	1.2
517.27484	0.2
642.34033	10.8
643.34204	1.7
660.34943	0.2
681.59064	0.2
743.34125	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	742.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01872	5.2
55.05511	16.0
57.03439	8.7
65.03913	1.2
67.05504	22.0
68.74246	1.2
69.03420	2.1
69.07082	6.1
70.32576	2.5
70.32886	1.6
71.04990	4.1
79.05495	24.9
81.03417	45.4
81.07059	21.6
83.04980	7.9
83.08617	16.0
83.71097	1.0
85.02908	2.6
85.51926	1.1
91.05477	18.0
91.87329	1.3
93.07043	17.0
94.07285	1.4
95.04974	21.9
95.08616	9.2
97.02885	3.1
97.06536	3.5
97.10159	14.6
98.22622	1.6
105.07034	13.2
107.04957	19.1
107.08601	13.0
109.06516	16.2
109.10151	6.2
111.04418	2.4
111.08096	4.3
117.07016	6.1
119.08577	12.7
121.06493	12.1
121.10140	14.0
123.04387	1.4
123.08075	4.5
124.67036	1.2
125.09648	13.0
129.07051	8.6
131.08553	11.4
133.06480	4.6
133.10127	7.5
135.08037	9.3
135.11673	1.5
137.09615	2.0
139.11241	2.1
142.07802	1.9
143.08568	3.6
145.06461	6.4
145.10141	4.2
147.08044	3.7
147.11647	6.0
149.09628	5.6
151.07539	1.6
153.09064	1.9
155.08540	2.3
157.10121	6.7
159.08076	1.9
159.11740	1.4
163.11177	3.6
167.10698	1.5
169.10065	2.6
171.08051	1.3
171.10231	2.3
171.11685	2.7
173.09705	2.1
173.13264	2.3
175.11211	5.6
177.12756	1.7
181.10202	1.5
185.11740	1.8
187.11128	1.6
187.14876	1.5
189.11221	6.1
189.12689	1.6
191.14255	3.4
193.12250	19.3
195.85014	1.4
199.11264	1.9
201.12694	1.4
213.12820	2.7
215.14203	2.2
219.13820	13.1
223.13153	1.4
227.12759	1.8
233.15338	3.2
235.13095	1.4
237.12837	1.7
249.14993	1.6
250.72141	1.2
255.13864	3.6
259.13171	1.7
259.15363	7.3
267.13190	2.8
267.15906	42.6
268.16275	1.6
273.14847	6.4
283.15247	1.4
293.17407	6.8
334.61838	1.3
339.23114	2.5
349.21613	4.4
357.24167	2.1
367.22708	15.6
385.23746	21.6
386.23853	1.8
403.24744	7.1
404.25021	1.6
433.25763	2.0
441.26376	6.7
451.26767	2.0
459.27411	100.0
460.27719	12.2
477.28503	86.2
478.29041	9.2
491.30313	8.6
495.29385	7.2
501.28329	2.8
509.31253	2.6
567.29376	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	742.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.95425	0.7
55.01876	5.9
55.05513	21.6
57.03440	13.1
57.07075	1.7
59.04996	1.5
61.02929	1.5
65.03944	1.2
66.73407	0.8
67.05506	43.6
68.05827	1.4
69.03426	9.9
69.07071	25.4
71.01350	2.4
71.04987	2.5
79.05496	38.8
80.05827	1.1
81.03432	8.1
81.07056	30.7
83.04973	9.7
83.08620	8.1
85.02905	2.5
85.06540	1.9
86.09701	5.1
87.56913	1.0
91.05482	23.6
93.07047	40.6
94.07368	2.1
95.04977	7.6
95.08607	14.1
95.91217	0.8
97.02900	7.9
97.06528	9.3
97.10171	15.8
98.23322	1.6
105.04460	1.1
105.07035	17.1
106.07384	1.2
107.04960	7.7
107.07865	1.5
107.08600	30.1
109.05846	0.9
109.06528	3.8
109.10165	9.4
111.08071	2.3
115.05463	1.5
117.07018	10.0
119.04971	1.4
119.08585	16.5
120.08884	1.1
121.06499	4.6
121.10124	8.5
123.08071	2.8
123.11742	1.1
125.00013	3.4
125.09627	9.7
128.06284	0.8
129.07011	2.9
130.07767	1.6
131.08569	8.2
132.05705	0.9
133.06480	3.1
133.10133	8.7
135.08047	3.8
135.11694	29.5
136.12007	1.6
137.09615	2.6
142.07800	1.3
143.08542	5.4
145.10121	11.1
147.08058	6.1
147.11665	2.8
149.09608	3.0
149.13248	1.8
151.11208	1.3
153.12746	2.4
157.10106	2.5
159.11740	2.7
161.09595	2.5
163.11203	5.7
165.09085	2.1
169.10178	1.0
171.11702	2.1
173.11850	0.9
173.13266	1.3
175.11247	2.1
175.14915	0.9
177.12869	1.5
181.12262	8.8
183.11725	1.0
184.07341	15.4
185.07730	0.9
185.13263	1.4
187.14786	1.1
189.11269	2.3
193.12215	1.3
199.13261	2.0
203.47485	0.8
213.08644	0.9
223.13278	14.3
227.12694	5.0
249.14877	3.3
253.14293	1.5
255.15895	63.8
256.16324	2.8
259.20624	1.0
271.15250	1.6
273.18497	13.7
274.18842	1.5
275.20123	1.7
283.15665	2.0
291.19547	97.5
292.19882	7.0
332.60742	0.9
347.22137	1.6
365.23227	35.4
366.23627	3.2
425.25085	1.7
447.27130	2.3
465.28781	1.2
484.51993	1.1
527.33795	2.2
545.34747	100.0
546.34955	13.4
563.35803	1.0
724.42847	1.8
742.42706	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	742.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01876	12.3
55.05515	28.8
57.03440	16.1
57.07089	2.9
59.05009	2.3
60.08170	3.9
61.02922	1.9
65.03934	4.7
67.05508	84.6
68.05829	3.1
69.03429	7.8
69.07072	28.9
69.23560	8.1
71.01367	3.7
71.04996	11.7
71.07372	1.5
73.06519	1.6
77.03959	1.8
79.05495	65.4
81.03419	13.1
81.07061	82.3
82.07428	3.7
83.04990	18.5
83.08608	11.0
85.02927	5.6
85.06550	10.5
86.09718	15.0
89.54858	1.6
91.03952	2.3
91.05484	71.7
92.05804	2.4
93.07047	85.1
94.07373	3.3
95.04962	14.8
95.08614	29.3
97.02889	2.3
97.06534	14.2
97.10191	9.8
98.98466	1.7
99.04490	3.2
99.08102	2.8
103.05447	2.6
105.04549	3.2
105.07034	62.0
106.07351	3.8
107.04971	11.1
107.08602	62.9
108.08935	1.8
109.06509	10.6
109.10161	60.0
110.10443	2.3
111.04492	1.8
111.08099	5.9
113.06036	3.4
115.05461	3.6
117.07015	15.8
119.08578	29.2
119.09351	2.6
120.08926	2.7
121.06505	12.4
121.10149	15.6
123.08088	7.9
123.11712	10.8
124.99989	11.2
125.06019	2.3
125.09654	3.7
127.07568	3.7
128.06273	2.7
129.07034	6.7
130.07806	2.0
131.08586	20.1
133.06509	7.0
133.10136	82.7
134.10489	5.8
135.08066	12.7
135.11700	42.7
136.12045	1.6
137.09622	4.4
141.07021	3.7
142.07770	3.0
143.08549	10.3
145.10123	25.8
147.08055	4.2
147.11676	10.5
149.09587	8.9
149.13213	2.4
151.11189	32.3
153.06992	1.7
155.08612	2.5
157.10133	9.5
159.08080	3.9
159.11731	7.9
161.09639	7.4
161.13287	5.6
163.11174	9.2
164.11542	2.0
169.10167	5.1
169.12259	5.2
171.11650	9.5
172.12122	2.2
173.09651	3.2
173.13280	4.6
174.13673	1.9
175.11227	5.7
175.14841	4.0
176.15126	1.6
177.09062	2.2
179.10748	3.4
181.10359	3.2
181.12256	10.0
183.11783	3.4
184.07346	56.3
185.09686	1.8
185.13304	6.0
187.11194	2.0
187.14871	3.2
195.11711	2.8
196.12202	2.0
197.13329	4.8
199.11099	2.1
199.13225	2.1
199.14955	2.5
200.91211	1.6
201.12721	2.3
201.16335	2.0
207.11681	2.0
211.14774	2.0
215.12846	5.4
225.16602	1.7
245.18948	5.3
251.12823	5.3
253.14352	100.0
254.14763	5.7
255.15866	62.8
255.18338	3.2
256.16269	3.3
257.18976	1.9
263.20102	5.7
269.17337	3.5
271.15421	2.9
273.18481	34.3
275.20074	5.2
283.15320	1.8
291.19513	35.0
292.19904	2.7
309.20627	2.8
333.24310	2.3
338.26062	3.8
347.22232	10.3
365.23227	26.9
380.53510	1.8
449.25342	3.7
451.26941	43.8
451.41080	1.6
452.27209	5.0
476.36298	2.9
527.33356	9.8
542.69629	1.7
544.36926	3.2
545.34717	76.5
546.35132	10.0
563.37433	4.6
724.44556	4.9
742.43195	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50774	1.2
53.03943	7.4
55.01877	6.1
55.05511	33.0
57.03442	21.7
57.07072	5.2
58.03492	1.3
59.05005	2.2
61.02936	7.9
65.03938	5.5
67.05505	98.5
68.05832	2.6
69.03431	7.9
69.07070	22.9
71.04988	9.1
71.08641	1.8
73.02924	2.8
77.03916	1.8
79.05496	77.5
80.05837	2.4
81.03420	76.2
81.07057	100.0
82.03741	2.1
82.07397	2.3
83.04984	19.7
83.08619	31.8
85.02903	34.0
85.06561	3.3
85.10188	1.6
86.09720	7.0
87.10104	1.5
91.03960	2.0
91.05482	65.0
92.05834	1.9
93.07047	74.7
94.07384	3.3
95.04969	34.5
95.08607	60.0
96.05320	1.3
97.02902	5.6
97.06523	9.4
97.10184	5.8
98.23446	2.4
98.98426	2.1
99.08094	3.1
105.04520	2.6
105.07034	45.5
106.07360	1.8
107.04966	8.6
107.08595	33.7
107.09283	2.2
108.08896	1.8
109.06493	7.3
109.10159	20.5
111.04480	2.9
111.08089	13.6
113.06018	3.0
113.09666	3.5
115.05456	2.0
117.07024	8.3
119.08585	35.1
120.96626	7.4
121.06531	2.1
121.10151	30.5
122.10435	1.7
123.08076	3.8
123.11694	7.0
125.00015	4.9
125.09637	2.6
129.06998	13.9
131.08577	22.5
132.08990	1.4
133.06522	4.5
133.10127	22.1
135.11705	12.3
137.09570	3.1
142.07779	3.0
145.10139	10.8
147.08078	2.9
147.11691	20.2
148.12044	1.7
149.09604	8.9
149.13263	7.3
157.10133	13.8
159.11716	5.2
161.13287	4.2
163.11171	3.2
163.14819	2.7
164.00891	4.5
165.12825	4.3
173.13263	4.1
175.11183	16.3
175.14687	1.5
184.07346	19.7
185.07637	3.8
187.14774	1.6
193.12234	41.6
194.12743	1.6
201.16360	1.5
211.13303	51.9
243.21036	3.7
250.46680	1.6
261.22198	10.4
267.15964	14.6
269.17480	1.4
275.20172	2.3
277.21680	5.5
285.16956	50.9
286.17374	3.0
295.22809	2.4
317.24738	2.6
335.25800	96.8
336.26184	7.3
387.11719	3.3
453.33588	2.4
487.90063	1.7
527.37512	14.0
545.38385	90.8
546.38605	13.1
551.36786	2.5
570.37048	1.5
601.40784	4.9
626.45355	2.1
644.45630	1.5
645.47211	2.6
649.34869	3.0
652.35455	1.8
692.38483	3.8
720.02850	1.6
742.43097	3.2
743.43652	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.1
55.01869	3.3
55.05512	26.8
57.03436	28.6
57.07059	3.6
61.02914	4.9
65.03927	4.7
67.05504	72.6
69.03420	5.8
69.06743	1.7
69.07074	20.7
69.29296	2.4
69.29700	8.8
71.04986	7.9
73.02919	1.8
79.05494	59.2
81.02937	3.2
81.03416	75.4
81.07055	81.8
83.04996	15.8
83.08620	27.5
85.02907	34.8
85.06538	4.6
91.03933	3.1
91.05482	50.9
93.06476	3.3
93.07042	58.9
93.07631	3.2
93.66257	1.6
94.60218	1.8
95.04967	30.3
95.08607	45.8
95.53474	1.5
97.02885	5.8
97.06492	9.2
97.10151	5.3
98.23305	2.6
99.08066	2.6
105.04512	2.4
105.06385	2.9
105.07030	36.2
107.04961	9.2
107.08598	26.9
107.13208	1.6
109.06508	6.7
109.10147	17.4
111.04467	2.9
111.08073	14.7
113.05994	3.8
117.07004	5.8
119.08572	26.9
120.96653	4.9
121.10139	25.9
123.08060	4.1
123.11663	7.2
125.09607	3.5
129.07001	15.2
131.08559	20.3
133.06554	2.8
133.10130	19.2
135.11688	14.6
137.09639	2.3
142.07748	4.8
145.10117	6.9
147.08025	2.1
147.11676	19.8
149.09634	9.7
149.13255	4.6
157.10117	12.4
159.11697	4.5
161.13226	4.9
163.14873	1.7
164.00813	2.8
165.12759	5.1
173.13200	2.7
175.11194	16.8
184.07384	2.7
187.14841	2.4
193.12224	59.4
194.12596	3.2
211.13293	100.0
212.13690	3.1
243.21159	3.7
261.22229	11.5
267.15921	15.6
277.21771	2.1
285.16962	92.5
286.17300	4.0
335.25793	96.7
336.26059	5.0
387.11646	3.0
435.32581	2.1
453.33572	2.0
454.33148	2.2
491.35184	1.7
527.37427	13.6
528.37659	3.3
545.38354	96.0
546.38568	13.9
644.46112	2.0
692.39038	3.7
771.82556	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09112	1.1
53.03952	5.5
55.01873	4.8
55.05513	27.0
57.03442	13.5
57.07087	3.2
60.82469	1.5
61.02929	2.8
65.03945	2.6
67.05506	56.1
67.64823	1.2
69.03442	6.2
69.07068	16.3
69.36887	5.6
71.05006	6.9
71.08639	1.8
73.02920	1.3
73.30885	1.0
76.50708	0.9
78.02032	1.1
79.05498	45.7
81.02934	1.5
81.03419	52.5
81.07055	58.0
82.07405	2.6
83.04980	12.9
83.08624	27.5
83.71187	1.0
85.02418	2.2
85.02905	22.2
85.06555	2.9
86.09732	2.9
90.02746	1.0
91.03963	1.5
91.05478	38.2
92.05830	1.9
93.07048	41.2
94.07394	1.9
95.04966	24.9
95.08607	41.2
96.08968	1.4
97.02897	3.3
97.06541	4.6
97.10176	4.5
99.08127	1.7
105.04513	1.2
105.07029	25.9
107.04953	6.6
107.08594	21.6
107.09283	1.4
109.06534	6.5
109.10152	14.0
111.04469	1.5
111.08087	12.3
113.06039	1.7
115.05486	1.3
117.07011	5.5
119.08588	24.9
120.96649	4.6
121.06529	1.6
121.10141	17.9
123.08083	2.8
123.11713	6.0
125.09637	2.0
129.06982	10.0
131.08566	18.6
133.06500	1.9
133.10124	16.1
135.08263	1.3
135.11688	9.3
137.09593	2.0
142.07806	2.0
143.08559	1.5
145.10132	7.9
147.08089	3.5
147.11688	15.2
149.09607	6.7
149.13306	4.2
151.11208	1.9
157.10126	12.2
159.11693	2.4
159.83588	1.2
161.13240	3.2
163.11252	2.0
165.12769	3.9
166.91269	1.4
173.13295	3.2
175.11211	12.6
184.07350	6.0
185.13309	2.0
187.14867	2.0
193.12254	40.9
193.14044	2.3
194.12656	1.5
211.13293	58.2
212.13647	2.0
236.16550	2.4
243.21037	2.4
259.20538	1.3
261.22141	7.1
267.15900	12.0
275.20023	1.7
276.15479	1.4
277.21652	2.3
285.16962	46.3
285.20059	2.4
286.17245	1.5
308.18405	4.4
317.24911	1.6
335.25797	55.6
336.26193	3.8
356.12347	9.0
457.23254	3.6
527.37268	7.0
545.38367	100.0
546.38806	9.3
626.44684	1.2
644.45636	2.0
708.98920	1.3
742.43909	2.6
743.44971	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.01886	2.6
55.05247	1.2
55.05511	19.0
57.03443	14.9
57.07066	1.0
61.02929	2.9
65.03942	2.7
67.05508	46.3
69.03439	3.3
69.07080	13.1
71.04996	4.1
79.05495	37.0
80.06413	0.9
81.02930	1.3
81.03072	0.8
81.03419	42.6
81.07059	49.5
83.04982	11.3
83.08623	17.6
85.02911	15.9
85.06555	1.2
91.03952	1.2
91.05481	28.5
92.05781	1.2
93.07046	39.2
95.04970	18.4
95.08607	29.5
96.08937	1.2
97.02911	3.1
97.06527	4.9
97.10168	2.9
99.08133	1.5
100.66430	0.9
105.07032	21.4
107.04973	4.2
107.08593	16.6
108.08919	1.0
109.06538	3.8
109.10149	9.7
109.16793	0.9
111.04422	1.0
111.08087	6.8
113.06008	2.5
115.05501	1.1
117.07025	2.8
119.08583	17.7
121.10136	15.2
122.10502	0.9
123.08104	2.3
123.11718	4.1
125.13718	0.9
128.13847	0.9
129.07024	5.1
131.08577	11.9
133.06551	0.9
133.10138	12.2
135.11684	7.2
137.09563	1.5
142.07756	2.4
145.10139	4.5
147.08025	2.4
147.11687	10.6
149.09666	3.9
149.13286	3.1
151.11179	1.4
155.08577	1.0
156.74370	1.0
157.10121	10.2
159.11732	2.4
159.36327	1.1
161.13264	1.0
162.17555	0.9
163.11185	1.9
163.14862	1.3
165.12767	2.6
166.84865	0.9
173.13272	2.5
175.11166	7.5
180.01839	0.8
184.07391	2.1
193.12254	25.7
194.12698	1.1
211.11244	1.8
211.13284	35.0
216.65291	1.0
227.12766	2.2
243.21132	1.3
261.22092	6.4
267.15955	11.5
283.15717	1.3
285.16977	40.7
286.17239	1.3
301.25354	0.9
317.24850	1.9
335.25800	66.7
336.26077	6.7
337.26425	1.0
527.37244	6.8
528.37549	1.8
545.38367	100.0
546.38727	11.8
554.26416	1.1
642.52905	1.0
693.04199	1.0
731.07648	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.2
55.01872	5.4
55.05522	27.3
57.03432	15.5
59.75295	2.8
61.02924	7.9
64.74464	2.5
65.03944	5.3
67.05508	75.0
68.05821	3.3
69.03432	8.3
69.07075	28.6
71.04993	5.4
73.02905	3.1
79.05496	60.1
81.03426	26.5
81.07064	82.2
83.04987	8.6
83.08612	20.1
85.02887	4.7
85.06550	6.9
86.09713	5.6
91.03967	2.7
91.05480	68.2
92.05796	2.9
93.07045	69.1
95.04974	15.3
95.08614	41.6
96.08947	3.4
97.02927	6.7
97.06538	12.9
97.10175	6.6
98.06717	2.4
101.17641	3.1
103.05505	5.1
105.07036	100.0
106.07394	4.6
107.04979	4.5
107.08603	40.2
109.06524	8.1
109.10146	19.8
111.08111	9.0
117.07034	21.1
119.08585	42.6
121.06507	4.0
121.10137	31.5
122.10512	4.1
122.27235	3.5
123.08057	2.8
123.11752	8.0
124.99994	7.1
125.09599	4.1
129.07004	12.4
131.08553	25.6
133.10136	35.8
134.10461	4.0
135.08076	3.7
135.11714	19.9
143.08583	10.5
145.10162	14.3
147.11694	34.2
148.12085	3.4
149.09589	4.2
149.13261	23.4
157.10150	15.0
159.11696	23.7
161.13260	22.4
163.11176	3.6
163.14861	4.4
169.10178	5.3
171.11699	9.3
173.13286	10.8
175.11169	3.2
175.14862	7.0
177.12769	7.0
183.11790	3.8
184.07368	38.3
184.11076	2.8
185.13249	7.3
187.14850	4.2
193.12236	6.7
195.13860	5.3
198.12787	9.2
199.14861	7.2
212.14413	3.2
213.16408	3.6
231.21182	5.5
241.19537	20.2
259.20572	54.6
261.22128	6.1
267.15860	27.5
269.17493	59.9
270.17810	5.9
315.22989	5.1
316.23505	2.9
333.24255	41.9
334.24780	3.9
335.25876	17.3
349.23746	3.3
435.32620	7.6
447.34607	3.2
453.06369	2.9
453.33936	4.8
464.16089	2.9
471.34860	3.8
488.31818	3.0
488.40704	3.0
527.37311	54.4
528.37653	7.7
544.37079	7.9
545.38239	26.4
563.38812	5.2
580.36383	77.2
581.36462	12.1
626.71185	3.1
706.38446	3.5
742.43610	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.6
57.03440	14.1
57.07077	4.7
65.03932	4.1
67.05509	70.7
68.05852	4.6
69.03450	3.7
69.05263	2.7
69.07075	24.2
71.04990	6.5
79.05495	69.8
81.03419	26.9
81.07061	100.0
82.07402	5.4
83.04991	6.4
83.08617	21.4
85.02898	4.5
85.06547	5.0
86.09696	3.7
87.41444	2.8
91.05487	58.1
93.07047	66.5
94.07342	3.8
95.04980	14.4
95.08617	43.9
96.08984	2.5
97.06536	10.8
97.10200	2.9
98.22655	8.3
105.04505	2.9
105.07034	46.1
107.04975	8.3
107.08597	37.5
109.06530	8.9
109.10165	13.5
111.08085	3.8
117.07053	18.0
119.08593	36.4
121.06476	3.1
121.10158	22.7
123.08127	2.9
123.11718	7.1
125.00033	4.2
128.06197	2.5
129.07004	9.6
131.08556	22.6
133.10136	38.5
134.10460	3.6
135.11668	20.4
143.08539	5.8
145.10063	14.7
147.11679	23.1
149.09605	5.2
149.13336	13.1
157.10107	9.0
159.11722	21.2
161.13258	12.9
163.11234	5.0
169.10042	3.2
171.11688	10.4
173.13306	5.5
175.14876	3.7
177.12772	4.7
181.12250	7.2
183.11731	4.3
184.07349	18.0
185.13310	5.5
187.14809	2.9
193.12320	5.0
195.13914	8.9
197.13313	3.0
199.14832	5.1
202.23401	2.7
221.15343	2.6
222.13879	2.9
241.19611	10.8
243.21071	5.2
259.20602	33.4
260.20920	2.8
261.22174	7.4
267.15866	29.9
269.17480	40.8
270.17844	6.1
275.20114	5.3
276.20657	5.2
283.63019	3.1
285.16992	7.1
333.24231	42.6
335.23001	2.4
335.25940	26.5
435.32657	3.8
453.33563	4.9
523.42303	3.0
527.37323	38.7
528.37494	6.9
544.36884	5.5
545.37958	37.9
546.38367	3.5
580.36438	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	742.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05523	6.5
56.05042	4.0
57.07080	2.6
60.04535	2.5
64.12218	0.9
67.05511	13.6
69.07081	7.0
70.06601	2.6
70.45555	2.4
71.08635	2.0
73.43786	1.0
79.03848	0.9
79.05502	9.9
80.05025	2.1
81.03418	1.3
81.07069	11.9
82.06583	6.6
83.08631	5.7
85.02902	1.6
86.06121	1.3
86.09724	2.3
87.52158	1.0
91.05490	8.7
93.07051	10.9
94.06569	16.5
95.07362	6.7
95.08631	7.4
96.08113	5.0
97.02870	1.2
97.10177	2.9
98.06065	1.1
105.07031	6.8
107.08579	5.4
108.08128	3.1
109.10178	3.7
109.14185	0.9
119.08591	6.9
121.10161	5.9
122.09665	2.1
123.11722	1.6
124.99951	1.1
125.76781	0.9
131.08667	1.0
133.10188	3.0
135.11684	2.7
147.11691	1.5
147.23874	1.0
161.13278	1.3
184.07332	5.8
224.93275	1.0
233.22713	2.4
234.22066	1.9
245.22661	5.8
250.25256	8.9
262.25314	100.0
263.25836	6.4
278.30130	1.0
280.26474	7.1
282.27921	1.4
298.92737	0.8
300.28958	5.2
301.25403	1.0
306.27911	1.0
308.29565	1.0
354.54828	1.2
532.50397	4.8
544.50885	24.3
545.51074	2.7
546.52893	4.6
547.53662	1.0
562.51880	14.2
563.52283	1.4
601.51727	1.2
644.45874	1.4
724.56909	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	743.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.01872	0.6
55.05516	1.5
57.03445	2.3
57.84721	0.4
58.09626	0.4
59.05011	0.7
61.02933	4.0
67.05506	5.1
69.03437	2.9
69.07095	1.4
70.50071	1.2
71.04994	2.8
73.02925	3.2
79.05493	3.5
81.03432	7.0
81.07072	6.3
82.07408	0.8
83.05005	1.6
83.08627	2.6
85.02905	5.8
85.06573	1.4
87.04474	0.6
91.03967	2.4
91.05492	7.2
91.06018	0.7
93.07052	2.7
95.04979	2.9
95.08627	1.4
97.02913	4.4
97.06567	1.3
97.10220	0.7
101.02403	1.6
105.07031	5.1
107.04981	1.6
107.08640	1.5
109.06542	0.9
109.10187	1.2
111.08154	0.9
117.07073	1.0
119.08588	3.1
121.06567	1.4
121.10203	1.7
123.11739	0.7
127.03941	1.2
129.07028	1.2
131.08627	1.8
133.06615	0.6
133.10153	2.8
147.11722	3.6
149.09711	0.8
157.10201	1.5
163.11201	0.5
165.00433	0.5
165.01871	0.5
165.12881	0.7
175.11229	1.2
176.11583	0.6
185.04384	0.7
185.50156	0.5
193.12260	2.6
211.13388	1.0
243.08534	2.2
251.12688	1.1
265.14151	1.5
460.28516	0.8
469.20581	8.1
478.28793	0.8
483.22440	1.2
506.73746	0.6
515.24689	5.8
516.25464	0.9
743.38336	100.0
744.38574	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	743.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.76006	0.6
55.01875	1.1
55.05516	3.6
57.03435	2.6
57.07068	1.1
61.02916	5.6
64.13943	0.7
67.05513	11.4
69.03421	3.5
69.07080	3.8
71.04967	1.0
71.08637	2.2
71.29321	0.6
71.29745	0.6
73.02924	3.5
79.05499	9.5
81.03418	2.5
81.07053	10.7
83.04979	1.6
83.08620	1.6
85.02915	6.4
85.10177	0.9
91.03963	2.6
91.05486	6.1
93.07036	11.2
95.04980	2.1
95.08598	6.8
97.02900	5.2
97.06522	1.5
97.10155	1.2
98.98483	1.1
99.04477	1.2
99.08108	1.7
101.02383	2.2
105.07025	4.1
107.04967	1.3
107.08585	5.0
109.10176	2.1
109.38982	0.6
111.08103	1.6
113.09650	1.5
117.07013	1.4
119.08605	4.0
121.10176	2.6
123.11704	0.9
127.03909	1.4
129.07027	1.2
131.08563	0.9
133.10165	2.5
134.04636	0.6
135.11690	3.2
143.08548	0.9
145.10158	1.4
147.04456	1.0
147.11729	2.7
149.13264	1.6
151.11191	1.8
159.11674	1.0
161.13249	1.0
165.12807	1.6
171.11664	1.5
176.12273	0.7
177.12868	0.7
179.14319	5.2
184.07448	1.8
243.08472	2.6
247.13092	1.3
277.21646	6.5
295.22644	1.7
351.25418	2.1
465.21140	6.0
519.29272	6.7
545.38623	5.2
546.39148	0.7
627.46411	4.8
628.46179	0.7
645.47595	5.1
646.47864	0.9
659.28308	1.3
743.43311	100.0
744.43665	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01882	6.8
55.05511	29.7
57.03436	16.6
57.07067	1.8
60.08159	2.1
61.02923	3.0
65.03942	3.1
67.05506	55.9
68.05824	1.2
69.03433	3.4
69.07069	21.8
71.01363	3.0
71.04997	4.9
71.07381	1.5
79.05492	53.1
80.05819	1.2
81.03410	7.3
81.07057	46.1
83.04980	14.2
83.08620	24.7
85.02916	3.9
85.06559	2.9
86.09711	10.3
91.05481	38.1
92.05829	1.4
93.07044	65.2
94.07381	1.2
95.04967	16.9
95.08605	23.9
97.02902	1.9
97.06522	14.1
97.10176	9.9
98.98486	1.4
99.08092	2.2
105.04563	1.6
105.07029	28.9
107.04961	11.3
107.08596	36.7
108.08920	1.6
109.06505	6.4
109.10146	17.0
111.08100	7.5
111.11672	1.3
117.07018	12.9
119.08582	28.0
121.06522	6.3
121.10149	18.0
123.08073	4.6
123.11703	3.4
125.00008	6.4
125.09652	4.2
127.34042	1.1
128.06242	1.5
129.07004	3.2
131.08585	13.7
133.06491	2.8
133.10127	23.0
135.08052	5.4
135.11694	46.7
136.12051	2.0
137.09644	5.8
139.11171	1.7
141.07074	1.2
143.08569	4.6
145.10127	21.9
147.08092	3.1
147.11703	12.1
149.09621	16.8
149.13242	1.7
151.11188	5.5
153.12756	3.2
155.08594	1.8
157.10139	3.5
159.11711	8.5
161.09639	1.9
161.13272	2.5
163.11177	22.5
163.14819	1.7
165.12755	3.7
169.10168	2.5
171.11632	2.7
173.09641	1.6
173.13295	3.9
175.11182	3.1
177.12772	1.8
179.10835	1.4
181.12239	11.5
183.11713	2.3
184.07355	35.4
184.08951	2.4
187.11200	2.1
187.14937	1.2
189.12709	1.2
193.12303	1.6
197.13263	2.5
199.13257	1.7
207.13951	1.1
210.52509	1.1
215.17886	1.2
223.13437	1.7
229.19565	2.7
233.15271	1.4
237.14830	1.7
239.17926	3.8
247.20566	1.1
253.14438	3.3
255.15913	100.0
256.16263	4.9
257.18997	8.1
271.15436	1.8
275.20071	61.5
276.20447	2.8
285.16879	1.8
293.21094	9.1
299.96555	1.2
349.23746	34.3
350.23984	1.4
365.23425	1.9
367.24771	15.3
389.27020	1.5
459.27017	1.2
529.35266	69.6
530.35455	10.0
547.36255	68.3
548.36609	7.9
744.43744	2.5
745.38794	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	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01885	6.1
55.05518	21.8
55.53568	0.7
56.05061	1.0
57.03198	0.9
57.03447	9.4
57.07056	1.0
60.08168	7.0
61.02935	1.1
65.03925	1.1
67.05511	32.5
69.03438	1.6
69.07077	12.9
71.01360	2.1
71.04990	3.1
71.07371	4.5
79.05499	30.8
81.03430	5.1
81.06583	1.2
81.07063	20.8
83.04990	10.2
83.08628	13.3
85.02902	3.3
85.06554	1.7
86.09713	35.7
91.05486	22.3
93.07050	36.7
94.07355	1.0
95.01373	1.1
95.04979	32.9
95.08047	1.1
95.08614	12.9
97.06548	8.0
97.10178	10.3
98.98465	4.8
99.04456	2.5
99.08059	0.8
104.10738	2.8
105.07043	14.9
107.04954	7.1
107.08605	25.6
109.06511	4.0
109.10170	8.1
110.69226	0.7
111.04457	3.9
111.08087	3.8
115.05480	1.1
117.07039	7.5
119.08588	11.8
121.06490	4.2
121.10154	10.8
123.08082	2.7
123.11697	1.4
125.00018	23.3
125.06055	1.1
125.09639	5.8
125.69605	0.8
129.07011	1.2
131.08571	7.3
133.10150	8.9
133.92305	0.9
135.08055	2.4
135.11705	30.1
136.12039	1.5
137.09631	2.1
139.11157	1.3
143.08553	0.9
144.22031	0.7
145.06493	0.9
145.09036	1.1
145.10139	13.0
147.08055	2.1
147.11685	3.9
149.09647	11.9
151.11201	1.8
153.12761	4.1
157.10129	1.2
159.11760	3.8
161.09651	1.8
161.13266	1.2
163.11198	15.3
164.11531	0.8
165.12784	1.3
169.10199	1.2
173.09718	1.2
173.13272	1.3
177.12851	1.5
181.12248	9.1
184.07361	100.0
185.07709	1.5
187.11150	2.4
189.11249	4.1
189.12671	0.8
191.10655	0.9
193.12213	1.0
205.12259	2.0
223.13312	16.2
223.15344	1.2
224.13783	0.9
229.19492	1.3
239.17990	1.7
247.20645	0.8
255.15939	64.5
256.16290	3.2
257.19012	4.0
264.25754	0.8
275.20078	24.2
276.20410	2.2
293.21127	17.3
294.21680	0.8
349.23721	11.1
367.24841	16.6
367.29153	0.7
368.25165	1.3
462.67471	0.8
529.35229	21.5
530.35577	2.8
547.36328	45.1
548.36694	5.9
646.35236	0.8
744.44556	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	744.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.2
55.01884	8.7
55.05272	2.3
55.05513	27.4
56.96557	1.5
57.03445	28.2
57.07091	1.9
60.08160	3.0
61.02912	4.0
65.03941	4.4
65.49451	1.3
67.05507	93.5
68.05827	1.4
69.03441	7.0
69.07069	32.8
71.01344	5.1
71.04993	8.8
71.07378	1.7
73.02901	3.0
79.05494	78.0
81.03417	15.4
81.07056	81.8
82.07366	1.5
83.04982	20.4
83.08615	13.3
85.02903	4.1
85.06541	8.1
86.09708	16.2
91.03967	1.4
91.04896	2.1
91.05481	53.4
93.07047	82.9
94.07362	1.9
95.04972	15.5
95.08609	28.2
97.02879	2.5
97.06540	26.4
97.10169	15.2
98.98469	2.1
99.04459	3.5
99.08090	2.9
104.10748	2.1
105.04466	2.2
105.07036	34.7
107.04949	8.2
107.08595	57.3
108.08936	1.8
109.02885	1.9
109.06511	5.8
109.10158	14.8
111.08076	5.6
113.09611	1.8
115.05444	2.7
117.07009	21.3
119.08582	23.8
121.06493	6.3
121.10142	20.3
123.08040	4.9
123.11703	3.6
125.00001	11.4
125.09618	5.5
127.03925	2.8
128.06273	1.6
129.06993	3.3
131.08569	16.9
133.06488	1.8
133.10144	24.5
135.08008	4.5
135.11688	65.4
137.09653	4.1
143.08545	4.7
145.06490	1.8
145.10123	24.5
147.11667	10.4
149.09607	16.5
149.13243	9.5
150.30089	1.4
151.11259	3.1
153.12746	3.6
155.08543	3.2
157.10126	4.6
159.08012	1.8
159.11693	14.7
161.13208	3.1
163.11189	15.3
165.12744	3.1
169.10147	2.7
171.11699	4.3
173.04424	2.2
173.09650	1.8
173.13237	5.3
175.11191	1.7
177.12700	2.7
179.14349	2.9
181.12245	15.4
183.11670	2.6
184.07347	56.9
185.13223	1.8
189.11122	1.7
195.13800	4.8
197.13260	1.7
199.13252	2.2
201.95030	1.5
227.12775	5.0
229.19534	3.0
239.17946	4.6
247.20535	2.5
251.16554	1.7
255.15913	99.2
256.16245	6.3
257.19025	10.7
269.17477	16.0
275.20044	31.7
283.15671	2.3
293.21082	4.0
331.22690	1.7
349.23697	16.3
367.24667	2.2
409.25903	2.0
425.25150	2.3
433.29715	2.4
435.27438	27.3
436.27747	2.2
449.28964	100.0
450.29474	10.2
452.24030	1.6
473.29477	1.9
489.32120	2.9
501.35477	2.4
529.35156	34.3
530.35583	5.5
547.36493	11.4
593.32758	1.7
745.40076	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	744.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.7
55.01872	9.0
55.05513	18.9
57.03438	19.1
57.07067	2.9
60.08169	2.6
61.02919	3.3
65.03930	2.9
65.85185	1.0
67.05506	79.7
69.03426	5.3
69.07070	27.1
70.32990	3.2
71.01351	3.7
71.04986	7.6
71.07375	1.8
79.05493	66.1
80.05812	2.2
81.03416	13.6
81.07057	63.9
82.07392	2.4
83.04981	19.6
83.08618	12.7
85.02896	5.1
85.06560	7.4
86.09712	12.2
91.03955	1.1
91.05482	42.4
92.05814	2.9
93.07043	80.8
93.13980	1.1
94.07338	1.2
95.04965	9.7
95.08609	23.4
97.02894	3.4
97.06528	22.0
97.10175	11.1
99.08094	3.2
105.04546	1.5
105.07032	24.2
106.07392	1.5
107.04935	6.6
107.08597	45.9
108.08942	1.9
109.02882	1.7
109.06515	6.3
109.10155	14.1
111.08096	7.6
115.05443	1.6
117.07028	16.3
119.08582	19.8
121.06518	4.0
121.10130	15.4
123.08048	4.2
123.11705	2.5
125.00023	7.8
125.09619	3.2
127.03925	2.5
129.05453	1.4
129.06992	2.6
130.07813	1.8
131.08578	11.0
133.10127	18.5
134.10489	2.0
135.08034	3.5
135.11696	52.1
136.11993	2.8
137.09619	3.0
141.07069	1.3
143.08527	2.8
145.06544	1.2
145.10115	18.9
147.11699	9.1
149.09644	8.8
149.13268	10.4
151.11143	1.9
153.12737	4.8
155.08591	1.4
157.10175	3.7
159.11713	9.9
161.09610	2.1
161.13260	2.8
163.11165	12.8
169.10149	2.2
171.11732	3.0
173.04443	2.6
173.13277	2.8
175.11108	1.8
177.12772	3.9
181.12227	13.3
183.11665	1.5
184.07344	37.7
184.08954	2.3
185.13141	1.6
189.11162	1.7
189.12711	1.2
195.13724	5.2
199.13239	1.8
213.14828	1.1
227.12758	2.7
239.17926	2.0
253.14468	2.6
254.14523	1.1
255.15912	79.9
256.16241	4.2
257.18985	5.4
267.16016	2.0
269.17456	18.1
275.19995	17.7
276.20425	2.6
293.21008	1.5
349.23654	11.4
350.24097	1.9
367.24991	2.8
409.25769	3.7
413.21677	1.4
433.29413	1.2
435.21857	1.9
435.27441	21.1
436.28339	1.9
449.28989	100.0
450.29141	9.4
465.28748	1.4
511.34137	1.7
528.33405	1.5
528.58563	1.3
529.35168	20.5
547.36401	9.5
593.33386	1.4
707.74994	1.2
744.43744	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	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50026	6.8
55.05503	27.6
57.03430	11.8
62.92073	7.5
64.11388	7.1
67.05497	57.6
69.07083	39.1
71.30155	12.8
79.05495	48.2
81.03436	8.1
81.07053	91.0
83.04990	15.8
83.08616	11.3
91.05476	27.9
93.07040	56.6
95.04963	16.9
95.08596	21.3
97.06533	14.2
99.08083	7.4
105.07040	34.3
107.04888	11.6
107.08595	44.9
109.06544	16.6
109.10149	12.8
111.08073	10.9
117.07066	21.6
119.08574	23.7
121.06574	8.8
121.10161	19.0
123.08047	6.6
131.08577	8.9
133.10133	19.7
135.11707	48.4
137.09592	9.7
141.54694	7.5
145.10123	17.6
147.11696	13.3
159.11720	8.7
161.13223	7.5
163.11224	21.3
170.30608	7.3
173.95999	7.5
184.07356	20.5
210.48184	7.5
255.15912	99.2
275.20050	55.4
314.02219	7.0
348.80444	7.0
349.23706	25.6
367.24377	14.6
529.35193	100.0
530.36261	11.9
547.36523	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01868	1.6
55.05516	17.8
57.03439	11.7
57.07085	2.8
60.08164	5.8
61.02929	3.8
65.03947	4.1
67.05512	72.9
69.03417	1.3
69.07069	18.0
71.04997	6.4
71.07375	5.7
73.02940	1.5
79.05069	2.6
79.05502	39.7
81.03427	3.3
81.07063	90.8
82.07414	1.9
82.57025	1.2
83.04984	4.9
83.08624	11.2
85.02914	4.5
85.06542	6.1
86.09711	34.2
91.04971	2.0
91.05489	24.1
92.05811	1.2
93.07049	43.4
93.74275	1.6
94.07398	1.5
95.04977	5.3
95.08615	32.0
95.09237	1.6
96.98670	1.2
97.02910	2.5
97.06517	6.1
97.10184	2.4
98.22601	3.7
98.98475	4.4
99.08083	1.4
104.10756	1.8
105.07046	13.4
107.08599	24.5
109.06539	2.4
109.10165	15.8
111.08092	4.6
113.09642	1.2
117.07011	9.3
119.08595	8.0
121.10152	13.4
121.98851	1.2
123.08105	1.3
123.11713	10.0
125.00011	22.6
127.03963	1.4
129.07103	1.7
131.08578	12.7
132.08954	1.4
133.10136	15.0
135.08115	2.2
135.11699	14.7
139.11153	1.9
145.10161	2.8
147.11699	4.0
149.13263	14.0
151.11226	2.3
157.10149	1.4
159.11699	10.2
161.13293	2.4
162.32019	1.3
163.14867	2.1
165.92085	1.1
169.12259	1.7
173.13281	3.1
175.14854	1.5
177.12820	4.9
184.07356	100.0
187.13339	7.8
187.14790	1.7
195.13791	6.0
211.13245	1.3
213.14954	3.4
226.18802	1.2
243.15941	21.8
243.21091	2.5
261.22217	6.8
267.15872	1.2
269.17526	17.4
287.18546	28.0
288.18881	2.7
317.24643	1.4
335.25830	37.6
336.26196	5.0
489.35995	3.2
503.37369	64.7
504.37753	10.7
529.38849	7.8
530.39130	1.6
539.34570	1.4
545.37714	1.4
547.39862	28.4
548.40106	4.1
657.19434	1.2
680.08459	1.4
744.47821	3.4
745.41150	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	744.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21749	0.8
53.03951	1.6
53.88645	1.0
55.01861	2.3
55.05515	8.2
56.05042	1.1
57.03433	4.8
57.07077	1.5
58.06629	1.0
59.13287	0.9
60.08165	7.2
61.02926	1.0
66.38324	1.0
67.05138	1.6
67.05505	29.0
68.05850	1.1
69.03447	0.9
69.07075	8.1
71.04990	3.7
71.07362	3.5
71.08643	1.1
71.30947	1.2
73.02899	1.2
79.05493	18.1
81.03440	2.7
81.07057	34.9
82.07396	1.2
83.04985	3.1
83.08630	4.8
85.02918	1.5
85.06541	3.7
85.10166	1.8
86.09707	35.2
87.10045	1.1
91.05486	9.7
93.07047	18.7
95.04974	4.1
95.08042	1.7
95.08611	15.3
97.02925	1.0
97.06530	3.7
97.10203	1.3
98.98465	3.7
99.08104	1.2
104.10764	1.6
105.07041	6.7
107.04942	1.2
107.08585	9.6
108.08904	0.9
109.06539	1.4
109.10149	5.0
111.08082	2.8
113.09632	1.4
117.07030	4.1
119.08599	4.1
120.96682	1.3
121.10150	7.4
123.08085	1.1
123.11707	4.7
124.99998	22.7
125.00866	1.4
125.09636	0.9
130.38631	0.8
131.08557	4.2
133.10112	6.3
135.11714	4.6
137.05998	0.9
145.10120	1.4
147.11674	2.9
149.09622	1.6
149.13261	5.7
151.11160	1.5
151.98175	0.9
159.11691	4.4
161.13275	1.4
165.12753	2.1
177.12762	1.7
184.07346	100.0
185.07654	2.6
187.13329	2.1
195.13841	3.0
243.15915	6.7
261.22116	3.3
267.15833	1.4
269.17538	9.7
277.21652	2.8
278.21973	1.9
287.18628	7.2
295.22672	1.8
296.23203	1.7
325.39008	1.1
335.25830	16.4
336.26175	2.1
337.26785	0.9
341.47250	0.9
500.36368	0.9
503.29855	1.7
503.37329	29.3
504.37360	4.4
529.38672	2.6
547.39825	12.6
548.39874	0.9
551.01453	1.1
628.46259	4.1
646.47705	5.8
647.47491	1.2
744.39307	2.8
745.40277	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01884	1.0
55.05513	13.7
57.03436	9.2
57.07090	2.3
59.05005	3.5
61.02928	4.6
65.03951	3.6
67.05508	100.0
68.05840	2.0
69.03429	2.5
69.04575	9.2
69.07074	16.8
71.04996	22.7
73.02899	1.2
79.05097	0.7
79.05495	35.8
81.03405	5.2
81.07062	41.0
82.07392	1.6
83.04986	4.5
83.08620	8.6
83.86405	1.0
85.02898	5.1
85.06551	3.7
86.09742	1.0
91.03986	1.2
91.05488	28.1
93.07048	43.4
95.04986	5.5
95.08612	33.8
97.02912	2.1
97.06552	4.3
97.10161	2.5
98.23421	2.0
99.08056	1.3
102.51284	1.1
105.04521	1.3
105.07033	9.7
107.08599	22.6
109.06514	1.7
109.10164	62.4
110.10480	1.7
111.08081	3.6
113.06010	1.0
117.07015	4.8
119.08582	17.6
121.10160	17.1
123.11761	2.7
125.09644	1.3
129.07018	2.1
131.08560	6.2
133.10123	9.3
135.11711	13.4
137.09624	9.5
139.11177	1.4
145.10136	5.1
147.11664	5.8
149.13277	2.3
155.10667	2.9
157.10179	3.1
159.11693	2.6
161.13239	1.7
163.11186	3.4
169.12245	1.1
173.11784	7.7
173.13298	3.0
175.14799	1.6
181.12260	2.3
184.07387	3.4
187.13327	1.3
187.14833	2.0
193.12314	2.7
211.13255	3.0
213.14868	2.7
216.76584	1.1
229.14470	1.6
243.15942	2.7
255.15968	3.7
259.20721	1.7
261.22141	3.9
267.15884	1.9
285.16913	2.2
287.18536	24.7
288.18646	1.2
317.24689	1.5
335.25830	20.4
336.89157	1.2
337.27325	4.1
377.26904	1.1
397.30948	1.1
404.47070	1.2
423.32773	1.4
450.62949	1.0
471.34595	4.6
489.35782	91.3
490.36163	10.1
503.37387	3.4
515.37323	12.2
533.38062	1.2
547.39984	65.3
548.40173	7.8
572.47681	2.4
744.45703	2.8
745.41364	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	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
53.32211	1.7
55.01869	2.5
55.05518	23.0
57.03440	10.0
57.07078	8.5
67.05511	27.5
69.07069	27.4
71.05003	3.0
71.08640	4.3
73.02920	2.3
79.05498	22.4
80.05759	1.9
81.03436	2.3
81.07058	31.5
83.04983	5.2
83.08622	24.0
85.06507	1.8
85.10146	3.9
86.09708	2.1
87.76113	1.8
91.05476	6.9
93.07043	38.3
95.04979	6.3
95.08612	50.8
97.02896	3.8
97.06519	5.6
97.10168	9.9
98.22633	4.1
99.04473	4.2
105.07040	5.2
107.04945	7.8
107.08599	27.1
109.06582	2.5
109.10137	9.0
111.08055	3.3
111.11752	5.0
117.07048	9.2
119.08588	8.4
119.69851	1.8
121.06463	3.9
121.10151	18.8
123.11697	3.0
133.10188	2.0
135.11694	54.0
139.07552	3.0
145.10129	20.3
149.13223	3.6
163.11182	56.0
164.11565	2.0
173.09709	1.7
173.55725	1.9
181.12236	9.1
184.07336	8.7
227.12794	69.5
228.13133	3.7
265.25241	2.7
267.15979	1.9
283.15405	96.5
284.15805	5.0
308.29739	2.2
309.02237	1.7
330.08917	1.9
339.28943	95.3
340.29318	9.2
469.91843	2.3
492.52902	2.0
547.39935	100.0
548.40509	12.1
745.44751	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01877	3.8
55.05516	26.8
57.03440	19.1
57.07072	4.0
59.05014	1.6
61.02923	6.4
65.03949	4.4
67.05508	92.1
68.05815	1.4
69.03436	6.4
69.07072	26.6
69.66606	4.8
71.04997	13.6
73.02917	1.2
74.09755	1.0
75.48740	1.1
79.05498	41.2
80.05836	1.1
81.03423	41.3
81.07060	74.2
82.03759	1.5
82.07415	3.0
83.04990	16.5
83.08620	29.2
83.91840	1.0
85.02904	22.4
85.06551	4.2
86.09719	2.0
91.03955	1.5
91.05486	41.0
91.11217	1.0
93.07047	41.1
93.21449	1.0
94.07373	2.0
95.04970	19.3
95.08614	48.4
95.22807	1.1
96.08950	1.3
97.02903	5.6
97.06534	6.0
97.10175	5.9
98.22623	1.1
99.08104	2.4
105.07034	21.3
107.04955	6.5
107.08597	18.6
109.06507	5.7
109.10159	35.5
111.04466	2.1
111.08082	9.6
111.11732	1.4
113.06052	1.9
115.05435	1.3
117.07046	3.6
119.08588	24.3
121.10152	15.8
122.10547	1.5
123.08073	2.3
123.11727	5.6
125.00013	2.1
125.09631	2.6
126.09731	1.0
129.06996	9.0
131.08572	13.2
133.06480	2.1
133.10132	13.7
135.11687	10.5
137.09642	5.2
137.13261	1.7
142.07794	2.4
145.10150	5.0
147.08020	2.0
147.11681	15.0
149.09665	6.7
149.13319	2.3
151.11194	1.4
155.10661	1.5
157.10109	10.6
159.11737	2.9
161.13306	3.0
163.11150	2.7
165.12747	2.5
173.11806	2.0
173.13214	1.2
175.11174	9.6
175.14932	1.8
181.12299	3.3
184.07315	6.9
187.14847	1.4
193.12263	33.3
194.12622	1.7
211.13300	50.8
212.13730	2.0
243.15941	1.6
255.15782	2.5
261.22073	1.6
263.23782	2.6
267.15878	13.6
268.16476	1.1
269.17538	1.2
285.16977	61.3
286.17264	2.6
287.18451	8.4
335.25885	15.8
336.26270	1.6
337.27356	59.8
338.27737	5.4
455.35318	1.4
489.35751	36.1
490.36011	4.1
503.37140	2.3
515.37439	5.4
529.38666	9.9
547.39935	100.0
548.40326	16.8
707.75049	1.3
744.46136	5.7
745.41559	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01865	4.2
55.05515	22.0
56.34823	1.4
57.03439	19.4
57.07066	4.1
58.08143	1.6
59.04985	1.4
61.02927	7.6
62.45107	1.2
65.03935	3.2
67.05507	95.2
68.05847	2.9
69.03441	7.7
69.07069	24.1
71.04995	14.1
71.08639	1.6
71.10788	1.2
73.02914	5.7
79.05495	42.6
81.03423	32.4
81.07058	76.3
82.07397	2.6
83.04978	9.5
83.08624	24.4
85.02908	16.5
85.06526	3.7
86.09698	4.5
91.03955	5.7
91.05479	38.7
92.05826	3.2
93.07050	45.2
95.04967	18.1
95.08607	45.7
96.08934	2.1
97.02894	6.8
97.06529	5.9
97.10180	8.4
99.08079	3.0
101.02340	1.9
105.07025	23.8
106.07340	2.2
107.04953	3.9
107.08598	21.5
109.06534	6.1
109.10156	34.8
110.10532	1.4
111.04475	2.6
111.08073	10.2
113.06030	2.3
117.07023	4.0
119.08578	22.9
121.10158	19.3
123.08059	3.3
123.11719	9.0
124.99969	3.1
129.07010	7.0
131.08542	9.5
133.10130	14.6
135.11684	10.8
137.09636	5.8
137.13255	1.7
143.08562	1.3
145.10089	7.9
147.08009	1.9
147.11670	14.9
149.09634	3.0
149.13284	3.0
157.10126	7.8
159.11734	2.4
161.13284	2.1
163.11205	2.9
163.14893	2.2
165.12733	3.1
173.11763	2.3
173.13232	2.8
175.11252	7.6
175.14781	1.6
178.31496	1.5
181.12241	2.3
184.07344	16.1
193.12230	20.9
211.13309	30.7
211.15205	2.8
212.13657	2.0
229.14345	1.9
243.08488	1.9
243.34059	1.2
245.22771	1.6
255.15874	2.6
261.22186	2.9
263.23807	2.2
267.15955	13.2
268.16211	1.7
275.20026	1.8
277.21442	1.9
285.16974	37.3
286.17230	3.1
287.18582	9.5
299.77866	1.5
315.52014	1.4
317.24911	1.4
335.25793	18.7
336.25961	4.0
337.27362	58.9
338.27856	6.3
455.34872	2.4
467.18750	4.1
471.34219	1.9
487.21161	1.6
489.35757	41.6
490.36108	4.8
503.37112	4.2
514.07556	1.4
515.37384	5.4
519.29004	2.0
529.38953	12.2
541.01239	1.4
546.38501	2.2
547.39899	100.0
548.40259	14.0
744.45837	25.4
745.41211	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01871	2.0
65.03944	1.7
67.05495	1.5
68.99791	6.7
69.03423	0.5
69.06657	4.0
77.03934	1.3
79.01865	1.4
81.03376	0.7
83.01330	0.5
83.04977	1.0
89.03935	0.8
91.05480	1.1
91.21352	0.4
93.03407	1.5
95.04958	1.7
97.02898	1.2
103.05463	0.5
105.03384	2.3
105.07016	0.5
107.01308	0.7
107.04958	1.3
109.02878	1.6
111.00807	6.5
111.04464	3.2
115.05463	1.5
117.03369	0.7
117.07030	0.6
119.04936	0.5
121.02866	1.9
123.00808	1.9
123.04429	100.0
124.04752	1.8
125.02390	1.0
126.03118	0.8
127.03909	6.3
131.04907	1.3
133.06479	1.0
133.49057	0.4
135.04419	6.7
137.02371	3.3
139.03899	72.2
140.04225	2.1
143.03381	1.4
143.04904	1.2
145.02870	0.5
145.06425	0.9
147.04411	12.0
149.02357	5.3
149.05949	0.9
150.03113	1.6
151.03899	7.0
152.01077	3.5
153.01828	26.3
153.02904	1.3
154.02225	0.6
159.04405	1.5
161.05971	1.1
163.03894	7.3
163.07497	1.1
164.04359	0.5
165.01839	1.1
165.05452	2.0
167.03415	4.8
171.04396	1.7
173.05934	0.7
175.03926	2.1
177.01875	2.1
177.05469	3.6
178.02599	3.3
179.03401	5.4
180.03738	0.5
181.01331	0.6
183.04417	0.7
185.06046	0.7
187.03889	3.4
188.04372	0.5
189.05450	6.2
191.03391	11.4
192.03986	0.8
193.04906	1.7
195.02873	0.5
197.05971	0.7
199.03888	2.8
199.07610	0.7
201.05499	5.1
203.03404	7.0
203.06781	0.5
205.04990	3.3
207.03065	0.6
207.06650	0.4
213.05458	1.9
215.03331	4.3
216.03998	0.5
217.04967	3.3
219.02904	2.2
225.05432	0.7
227.03384	1.6
227.07060	0.7
229.04955	7.6
230.05611	1.0
231.02855	1.1
231.06454	0.9
233.04424	5.2
239.03351	1.4
241.04890	1.6
243.02850	1.7
243.06491	0.8
244.03487	0.5
245.04424	6.1
247.05959	1.4
253.04759	0.7
255.02832	1.0
255.06470	1.8
257.04449	15.1
258.04993	2.1
259.02441	0.8
259.06036	1.2
260.03110	0.8
261.03934	7.6
262.04730	0.7
263.01862	0.8
263.05423	1.7
265.04938	0.6
268.03659	0.7
269.04459	4.9
271.02112	0.5
271.02982	0.5
271.05988	4.8
272.06723	0.9
273.04028	2.4
273.07547	24.1
274.04794	1.0
274.07935	1.3
275.05487	9.9
276.06030	0.7
277.03342	0.7
279.06488	0.7
281.06512	1.4
283.05975	1.0
285.03870	4.5
285.07529	3.1
286.04700	5.1
287.02353	0.4
287.05460	10.4
288.05960	0.7
289.03400	9.1
290.04196	0.5
295.05811	0.5
297.03824	1.6
298.04498	0.9
299.05432	2.6
301.03436	3.1
302.04056	0.7
303.05011	3.0
304.05692	1.3
305.02921	20.1
306.03235	1.1
307.04535	1.6
309.03735	0.5
311.02051	0.4
311.05478	1.5
313.03500	0.9
313.06958	1.0
315.04919	1.6
315.08243	0.6
317.02695	0.6
319.04410	1.6
325.03476	1.0
325.06964	0.8
327.04904	0.6
329.02896	17.8
330.03189	1.2
331.04422	1.4
347.03979	10.4
348.04437	0.5
353.02911	1.5
363.05035	0.5
371.03958	1.0
379.07947	0.7
391.04266	0.4
391.08200	4.2
392.08313	0.5
403.08163	0.7
407.07474	0.8
409.09244	12.1
410.09518	0.8
411.06723	1.0
413.04831	1.1
419.07468	1.8
421.09399	2.4
423.06662	0.9
425.04324	0.6
431.07175	0.6
433.09329	2.2
437.04919	5.5
439.06320	1.4
455.06134	19.5
456.06180	1.3
473.07162	2.4
474.07159	0.5
481.07266	1.2
575.08044	0.9
577.09137	1.0
583.08209	0.8
589.09338	2.3
601.09631	4.4
602.09827	0.5
709.11273	2.3
727.13013	2.3
745.13226	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	745.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
55.76416	0.9
61.02925	1.3
61.86971	0.8
67.05507	1.8
69.03399	1.1
71.07137	1.1
71.07489	0.9
73.02907	1.0
77.75708	0.8
78.89211	0.7
79.05486	2.6
79.67174	1.0
81.03426	1.4
81.07059	1.9
85.02915	2.4
86.09682	1.0
87.81673	0.9
91.03967	0.9
91.05502	2.0
93.07036	2.3
95.04939	1.4
97.02905	2.6
101.44856	0.9
107.08643	1.3
127.03951	0.9
129.06972	0.9
133.10147	1.1
139.27014	0.8
191.13275	0.8
193.12405	1.0
216.29840	0.9
220.45740	0.9
243.08478	1.6
243.61913	0.9
267.09088	5.9
285.10208	4.4
402.23419	1.0
403.23810	2.3
485.17163	3.6
501.23093	3.8
513.23688	0.9
535.79712	0.9
641.31207	3.2
745.34406	100.0
746.34521	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	745.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.7
67.05514	0.6
73.02888	0.6
81.03414	0.9
81.07040	1.0
85.02898	0.5
91.03974	0.5
93.07077	0.7
97.02935	0.6
97.21765	0.4
105.07040	0.8
112.54092	0.4
112.99157	0.5
118.69063	0.5
119.76810	0.4
125.58118	0.5
141.57892	0.5
173.21519	0.5
173.66023	0.5
267.09030	2.9
272.28967	0.5
281.10458	0.5
285.10074	2.8
370.36319	0.5
485.16937	2.9
496.57843	0.5
501.23157	1.4
517.20471	0.6
641.31195	0.9
648.78967	0.6
727.34711	1.7
745.34149	100.0
746.34473	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	745.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01888	0.7
55.05524	0.4
57.03445	1.7
59.04999	0.7
61.02936	4.2
61.45053	0.4
67.05507	3.2
69.03436	3.3
69.07085	0.9
71.01347	0.8
71.05005	1.7
73.02925	3.4
79.05499	3.9
81.03425	4.3
81.07054	3.2
83.04989	1.2
83.08638	1.3
85.02917	5.2
87.04490	0.4
91.03966	3.2
91.05486	3.0
93.07043	4.2
95.04951	2.1
95.08620	0.9
97.02892	5.0
97.06554	1.0
98.30590	0.4
99.04485	0.5
101.02382	1.9
105.07033	2.2
107.05006	1.7
107.08606	1.9
109.02908	0.7
109.06574	0.5
111.04475	1.0
111.08107	0.5
117.07055	0.4
119.08629	1.6
119.56100	0.4
121.10160	2.6
125.09676	0.5
127.03941	1.3
128.97945	0.3
129.07065	0.8
131.08594	1.8
133.10162	1.1
135.11754	1.2
138.66902	0.4
144.25977	0.4
145.10121	1.9
147.11746	1.6
149.09616	2.1
157.10193	1.0
163.11281	1.6
173.09695	0.7
175.11255	0.7
181.12277	1.2
185.04390	1.0
186.10818	0.4
191.10770	0.7
192.16966	0.4
193.12291	1.7
194.57501	0.4
203.05377	0.5
220.77846	0.5
225.14891	0.4
243.08424	2.2
267.12112	1.2
267.16077	1.0
283.15207	3.6
323.14795	0.8
339.17905	1.2
451.19638	1.2
469.20679	1.5
483.21835	0.5
485.19919	9.4
501.23013	8.9
502.23807	0.5
533.27496	0.5
641.31592	0.8
695.32440	7.0
696.32642	1.2
713.33667	0.9
727.35968	2.0
728.35059	0.4
745.36151	100.0
746.36530	13.8
749.39227	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	745.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.36596	0.4
55.05508	1.4
57.03434	2.2
59.04981	0.6
61.02927	5.4
67.05508	7.7
69.03428	3.3
69.07051	0.7
71.01328	0.5
71.04997	0.9
73.02921	3.7
73.24203	0.4
77.67662	0.5
79.05498	2.1
81.03429	3.4
81.07057	3.0
82.06612	0.4
83.04964	0.6
83.08626	1.7
85.02902	5.0
88.94872	0.4
91.03957	3.9
91.05484	2.7
93.07042	1.9
95.04973	1.1
95.08597	1.6
97.02899	4.8
97.06508	0.6
99.04453	1.2
101.02389	1.6
105.07038	2.5
107.08586	0.9
109.02878	0.7
109.06536	0.5
109.10168	6.6
111.08077	0.7
115.05463	0.4
117.07126	0.4
119.08596	2.0
121.06496	0.5
121.10126	0.9
127.03925	1.3
129.07066	0.6
131.08559	0.7
133.10104	0.7
135.11665	0.5
137.09581	0.5
145.05035	0.5
145.10085	0.5
147.11673	0.9
149.09694	0.5
157.10164	1.1
163.11217	0.5
165.12605	0.5
173.11679	2.2
175.11307	0.7
185.04257	0.7
193.12248	1.5
195.09911	0.8
207.28986	0.4
211.13254	0.6
229.14227	2.0
243.08315	2.3
251.12549	1.6
413.17822	9.9
414.18179	0.7
447.27423	0.6
467.18494	0.6
469.20447	7.5
470.20697	0.9
471.21805	0.8
479.25882	0.8
501.23187	2.7
502.38571	0.5
517.21765	0.5
585.28418	0.7
641.31421	100.0
642.31787	10.6
673.33972	0.7
699.35791	1.0
727.34674	1.7
745.34723	37.5
746.34991	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	745.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77654	0.8
55.05495	0.8
57.03441	2.4
61.02930	5.7
63.11903	0.8
66.92026	0.8
67.05510	3.8
67.30502	0.7
69.03433	3.4
71.05002	1.5
72.43860	0.7
73.02918	3.5
79.05499	2.6
81.03425	4.2
81.07056	3.3
83.05006	1.2
83.08619	1.0
85.02898	4.3
87.04474	1.2
89.64158	0.9
91.03963	2.9
91.05488	3.0
93.07048	2.5
95.04977	1.5
95.08620	1.4
96.95930	0.7
97.02890	4.1
98.11236	0.9
99.04493	1.2
101.02383	2.2
104.62175	0.8
105.07051	1.6
107.04921	1.0
107.08615	1.5
109.02898	1.2
109.10153	1.1
119.08602	1.7
121.10153	2.9
127.03918	1.9
129.05507	1.3
131.08533	1.9
133.10164	1.1
145.04984	0.9
149.09618	1.6
173.11760	1.2
175.11169	0.9
177.66310	0.9
180.81870	0.8
181.04684	0.8
184.07376	0.9
185.04289	3.1
193.12218	2.2
195.10013	0.9
201.03714	1.1
211.13545	0.8
225.14986	1.1
243.08369	4.3
251.12593	1.6
259.08264	0.8
267.15991	1.3
283.15158	7.9
301.08899	13.8
302.09109	1.1
309.16916	2.4
315.10522	3.0
323.18469	2.6
339.17798	1.5
341.12424	0.9
357.15250	1.1
373.11084	4.4
381.18930	4.6
383.16849	2.6
385.18304	7.4
399.20169	2.0
413.17969	2.6
427.19562	7.8
429.17801	1.4
439.19400	1.4
441.20956	1.0
443.18732	1.1
451.19473	1.6
465.28275	3.2
467.19107	1.0
469.20285	4.6
483.22192	1.2
485.19583	3.9
499.21634	2.9
501.23145	21.4
502.23346	1.6
511.29025	2.2
516.21423	1.1
517.22632	1.2
529.22644	13.8
545.22009	1.0
573.25189	9.1
585.29132	2.4
587.26776	2.4
601.28375	3.4
613.32153	2.9
615.30054	2.0
629.31689	1.2
641.31433	15.1
642.32178	2.4
643.32965	5.2
673.33850	1.7
683.36328	1.4
685.33063	1.3
687.35950	1.6
695.32281	1.3
699.35089	1.2
727.35010	5.9
728.35144	1.8
745.35785	100.0
746.36078	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.10381	0.3
53.58248	0.3
55.01873	0.6
55.05518	2.0
57.03430	2.3
57.07074	0.7
60.08171	1.2
61.02928	6.0
65.75810	0.3
67.05511	7.6
68.05833	0.3
69.03436	4.1
69.07073	1.9
71.01369	0.5
71.04983	0.9
71.07371	1.0
71.08631	0.9
71.46269	0.5
72.88964	0.3
73.02929	4.7
79.05495	5.7
81.03416	2.0
81.07060	6.5
82.07418	0.5
83.05008	0.5
83.08630	1.0
85.02907	6.4
86.09707	7.6
87.10046	0.7
89.06034	0.6
91.03960	2.7
91.05489	2.2
93.07043	5.6
94.07411	0.4
95.04999	0.7
95.08608	5.5
97.02898	4.9
97.06521	0.6
98.98486	0.9
99.04443	0.7
99.08147	0.4
101.02383	2.3
105.04603	0.4
105.07049	2.3
107.08597	3.4
109.02876	0.7
109.06564	0.4
109.10151	1.8
111.08097	0.4
117.07051	1.0
119.08594	1.2
121.10138	2.5
123.11731	0.5
125.00002	4.8
125.00831	0.4
127.03934	1.5
129.13911	0.3
131.08589	0.9
133.08630	0.5
133.10104	0.8
135.11708	3.2
145.10187	1.2
147.11760	0.3
149.13303	0.4
159.11655	0.5
163.11198	1.6
184.07352	18.7
185.04269	0.6
185.07718	3.2
225.28398	0.3
227.12903	1.1
243.08347	2.1
243.16081	0.5
249.10983	10.4
287.18546	0.4
305.13702	1.3
335.25806	0.8
339.69492	0.3
399.73898	0.4
467.18976	5.2
504.37665	0.7
508.69284	0.4
519.29358	8.4
520.29596	0.9
548.40332	0.7
629.45862	0.5
647.48370	0.6
713.57184	0.4
745.41254	100.0
746.41577	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.09964	0.2
55.01875	1.0
55.05519	1.3
57.03444	1.9
61.02927	4.4
67.05503	4.7
69.03426	2.8
69.07067	1.3
71.01363	0.4
71.05000	0.4
73.02922	3.1
79.05494	3.7
81.03420	2.0
81.07052	4.0
83.04988	0.4
83.08624	1.0
85.02892	3.4
86.09716	1.8
87.04461	0.3
90.79559	0.2
91.03951	2.6
91.05474	1.7
92.61668	0.3
93.07046	5.1
93.80896	0.3
95.04957	0.5
95.08609	4.4
97.02892	3.5
97.06550	0.3
99.04456	1.0
101.02388	1.9
103.03939	0.3
105.07004	1.7
107.05004	0.3
107.08598	2.7
109.02912	0.7
109.10185	1.0
111.04408	0.3
113.09751	0.2
117.07042	0.9
119.08576	1.4
121.06538	0.4
121.10140	1.7
125.00012	0.9
127.03968	0.7
131.08583	0.8
133.10153	0.6
135.11702	4.4
145.10120	1.6
147.11716	0.3
149.13268	0.4
149.68037	0.3
162.09952	0.3
163.11191	4.4
176.04265	0.3
181.12268	0.7
184.07329	4.8
184.08891	0.3
185.04277	0.5
185.07715	0.5
219.09929	0.3
227.12779	2.9
243.08427	2.4
249.10970	8.0
250.11330	0.5
271.51083	0.3
275.88214	0.3
305.13571	2.6
344.74652	0.3
467.18900	10.7
468.19449	0.7
519.29370	5.8
520.29364	0.5
583.35938	0.5
745.41229	100.0
746.41553	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	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01860	0.7
55.05505	1.3
57.03436	1.4
60.08173	1.1
61.02929	4.0
67.05502	5.0
69.03429	2.8
69.07061	2.3
71.06800	0.7
71.07383	0.6
73.02921	2.4
79.05483	3.5
81.03420	1.3
81.07051	4.9
83.08624	1.0
85.02911	3.8
86.09714	5.7
91.03959	2.1
91.05490	3.2
93.07051	3.4
95.04971	1.2
95.08622	2.5
97.02886	3.7
101.02391	1.5
104.10747	0.9
105.07047	2.5
107.04999	0.7
107.08610	1.7
107.42502	0.6
117.07027	0.8
119.08574	1.5
123.11697	0.8
125.00031	3.6
131.08588	1.9
133.10155	1.8
135.11748	1.0
179.22028	0.7
184.07336	21.3
203.05696	0.6
238.93361	0.7
243.08478	2.7
300.05945	0.7
315.19312	2.8
453.20801	7.5
533.27124	4.1
745.41248	100.0
746.41620	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05509	0.7
57.03442	1.4
60.08162	1.3
61.02929	4.0
67.05498	5.3
69.03429	2.1
69.03785	0.5
69.07077	2.4
69.48675	1.0
69.49079	1.8
71.05012	0.6
71.07370	1.0
73.02923	2.1
79.05499	4.9
81.03412	1.7
81.07062	6.4
83.08620	1.3
85.02904	2.9
86.09710	7.3
87.04447	0.5
87.10019	0.6
91.03976	1.7
91.05473	3.0
93.07041	5.0
95.01366	0.5
95.04971	0.6
95.08618	2.2
97.02884	2.9
97.06541	1.5
98.37994	0.5
98.98489	0.7
99.04453	0.6
101.02407	1.3
105.07049	2.6
107.08603	2.4
109.10178	1.3
111.08092	0.5
117.07049	0.6
119.08593	1.4
121.10181	1.5
125.00024	5.0
125.12420	0.4
127.03921	0.6
131.08591	1.4
133.10141	1.1
134.07011	0.5
135.08032	0.5
135.11725	1.0
141.51489	0.5
145.10109	0.7
147.11697	0.8
149.09715	0.5
149.13280	2.1
151.11156	0.6
157.10136	0.6
159.11757	1.4
179.14369	1.1
184.07353	23.0
185.07768	0.6
203.05235	0.8
243.08401	3.0
275.19952	0.6
281.93701	0.5
302.92819	0.5
315.19446	2.9
371.21957	0.6
437.80423	0.6
453.21002	7.9
454.21460	1.1
533.27313	4.9
534.27313	1.1
745.41272	100.0
746.41669	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01868	1.3
55.05510	3.4
56.74379	0.3
57.03437	2.9
57.07068	0.3
61.02927	1.6
65.03929	0.5
67.05494	2.4
68.99779	0.5
69.03432	4.9
69.07054	0.4
71.01353	15.5
71.04993	3.2
71.28453	0.5
73.02914	0.9
79.05495	2.1
81.03427	3.0
83.01343	0.9
83.04981	22.2
84.05309	0.8
85.02903	100.0
86.03217	1.7
87.04475	0.8
95.01320	4.7
95.04959	4.2
97.02891	3.2
97.06540	4.5
99.00814	1.3
99.04474	1.8
101.02390	0.7
105.07058	0.8
107.04962	0.9
109.02841	2.0
111.04440	12.3
113.02373	4.2
113.05986	1.8
115.03949	0.6
117.01857	2.8
121.02874	0.6
121.06486	0.6
123.00815	0.8
123.04412	0.8
125.02332	0.7
125.06000	1.6
127.03913	25.2
128.04282	0.6
129.05473	3.1
135.04431	1.1
137.02351	1.4
139.03928	1.0
141.01820	27.1
142.02205	0.5
143.07002	1.9
147.04388	0.4
147.06473	0.6
147.40761	0.3
149.05980	0.8
151.03943	0.9
153.01845	1.0
153.05475	1.3
155.03346	0.4
157.04964	5.7
159.02898	1.1
161.02409	0.3
163.03926	1.3
167.03267	0.4
171.06520	16.5
172.06866	1.0
173.04454	0.4
175.06030	1.0
177.05482	0.7
179.03352	0.6
181.04951	0.7
183.02904	4.3
189.07588	2.8
195.06519	0.6
197.04523	0.3
201.03940	20.4
202.04317	0.4
215.05437	0.4
216.50337	0.4
229.08549	0.4
241.07037	0.4
251.05539	0.8
261.06052	46.9
262.06439	1.9
269.06619	0.8
274.08472	0.6
287.07648	1.8
289.10590	1.4
303.01468	0.5
309.07614	0.5
311.07513	2.3
369.09430	0.4
389.10739	0.5
436.67538	0.4
554.92554	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	746.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
54.32069	0.8
55.01870	2.1
62.98959	1.0
65.03942	29.3
66.02251	0.9
67.05510	5.8
68.40691	1.0
69.03426	1.5
69.61252	1.6
69.61661	3.0
77.03909	0.9
79.05502	3.1
81.03431	2.0
82.04195	6.0
85.02916	3.3
91.05491	8.5
93.03403	11.0
93.07040	5.1
94.04178	1.7
95.01348	3.4
95.04962	6.3
97.06539	2.8
103.05489	5.1
105.03416	2.4
105.04531	2.1
105.07010	0.9
107.04937	5.5
108.02105	3.3
109.06528	2.1
110.03663	25.1
111.04452	24.8
115.05440	1.5
117.07043	1.4
119.04918	5.0
119.08540	1.0
120.05733	29.0
121.02864	8.1
121.06511	28.8
121.07362	2.0
122.03606	1.3
122.06873	1.2
123.04424	4.3
125.05995	28.5
129.07005	1.0
130.19365	0.8
131.04961	1.8
133.02859	2.0
133.06575	1.0
135.04451	1.3
136.07542	1.3
137.05988	9.4
137.12204	1.1
138.03119	1.8
138.09137	1.4
140.04730	1.4
140.60524	0.9
145.01872	0.8
145.06525	2.6
147.04424	2.8
149.02327	5.1
149.06042	1.0
151.03925	1.2
151.07562	3.5
153.05470	84.6
154.05803	2.8
155.07065	2.1
161.06017	2.0
163.03880	1.9
164.07196	0.8
165.05490	6.2
165.06944	1.4
167.07048	12.9
167.08400	1.4
171.06537	1.2
173.06027	2.8
175.03912	1.1
175.07564	1.6
177.05482	3.5
177.06956	1.5
178.07782	1.8
179.07033	2.3
179.08556	1.5
180.07864	1.5
181.03342	2.1
181.04962	43.8
182.05255	1.9
183.06514	1.2
185.06006	1.0
186.03180	1.0
189.07065	1.6
191.07047	1.5
191.08621	1.6
193.04965	3.6
194.07298	3.4
195.07991	1.8
197.06158	1.1
197.08031	1.5
200.04735	1.1
201.05460	15.8
202.05902	0.9
205.06454	4.4
206.07294	1.9
207.06516	10.4
207.08128	4.1
208.05383	1.1
208.07266	2.9
209.06111	0.9
209.07925	1.0
209.09673	1.8
211.07541	1.7
213.05429	6.1
218.07407	2.7
219.08116	3.2
220.05237	2.7
221.05980	3.5
222.06795	7.9
223.07507	2.8
224.08244	1.4
225.07536	17.9
226.08228	2.1
229.04814	1.1
231.06429	5.0
233.06075	4.2
233.08127	1.2
234.06851	4.5
235.03979	2.1
235.07573	7.9
236.04614	1.1
236.08281	2.8
237.05469	1.8
237.09096	10.4
239.07042	1.8
247.07526	3.9
248.04663	2.1
248.08273	2.1
249.05537	5.0
249.09087	1.5
250.06271	16.1
251.07027	8.7
251.10770	1.0
252.07733	3.1
253.08621	1.9
260.04529	1.4
261.05569	2.4
261.09171	1.1
262.06201	4.1
263.04123	1.0
263.07089	9.7
264.04160	1.4
264.07755	3.6
265.05087	1.3
265.08618	22.3
266.05722	0.9
266.09036	1.6
267.06558	5.5
267.09982	1.7
269.07925	1.0
273.05502	1.1
275.03589	0.9
275.07019	3.7
276.07620	1.4
277.04956	2.2
277.08563	2.9
278.05692	13.4
278.08398	1.6
279.06485	9.0
279.09467	1.6
280.07217	2.3
281.08124	3.8
282.08618	2.4
282.11401	2.2
289.05020	2.3
290.05750	4.8
291.06543	6.3
292.07227	4.2
293.04761	2.2
293.08084	36.5
294.08368	8.1
295.05975	2.9
295.09241	4.0
296.06699	1.0
296.09726	1.2
297.07745	1.6
297.11136	3.1
303.06528	4.3
304.07352	4.2
305.04657	1.8
305.07983	3.1
306.04971	2.0
306.08185	1.6
307.05966	6.2
307.09344	3.2
308.06366	1.4
308.09512	1.8
309.07446	1.1
310.08188	3.9
310.10861	3.2
311.08722	0.9
319.05917	2.4
319.09500	1.4
320.06790	2.2
321.07559	26.7
321.11353	1.8
322.08234	8.8
323.09122	10.6
324.09189	1.4
325.10693	12.8
326.11069	1.5
327.12085	1.8
333.07535	3.9
334.08261	2.2
335.09088	10.3
336.09241	1.1
337.10580	2.0
338.10934	6.4
339.11362	2.6
347.09186	1.6
350.07788	2.3
351.08682	3.0
353.10202	100.0
354.10455	8.9
355.11789	6.8
365.10208	38.3
366.10452	4.5
367.11768	11.8
380.14981	8.0
383.11313	2.9
385.12738	6.6
428.14816	1.1
430.16525	1.9
458.15976	27.9
459.16412	3.9
460.17725	1.7
470.15591	1.0
474.19095	1.2
490.18634	55.5
491.19128	5.8
492.20581	1.3
497.12427	2.8
502.18579	12.7
503.19153	2.3
520.19696	4.6
529.14905	2.8
534.20752	1.2
746.36597	4.0
747.38062	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	746.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26777	0.1
54.08294	0.1
56.05031	0.8
58.06625	0.3
60.08166	6.8
67.05499	1.5
68.05824	0.3
69.07068	0.4
70.06603	0.2
71.05003	0.5
71.07375	3.2
79.05463	0.4
80.12360	0.2
81.03424	0.3
81.07066	0.9
82.23190	0.2
83.04934	0.2
86.09708	31.4
87.10045	0.6
89.06037	0.5
91.05482	0.4
93.07038	0.8
94.07366	0.2
95.08608	0.4
98.98470	3.1
101.59528	0.2
104.10745	2.4
105.07050	0.3
107.08548	0.2
109.10165	0.6
110.10490	0.2
121.10163	0.2
125.00007	20.9
126.00227	0.2
133.08565	0.4
133.10173	0.2
135.11655	0.2
143.01134	0.2
164.87625	0.2
166.02681	0.2
184.07346	100.0
185.07678	1.9
276.48138	0.2
297.12994	0.2
361.01382	0.2
361.70963	0.2
440.87625	0.2
448.96118	0.2
490.35837	0.3
491.35999	0.5
547.39807	0.2
548.39014	0.2
549.40277	0.6
714.46173	0.4
731.04266	0.2
746.49640	3.2
747.42474	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	746.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16559	0.1
55.05508	0.2
56.05039	0.7
56.08282	0.1
57.07075	0.5
58.06334	0.3
58.06625	0.6
60.08168	5.5
67.05523	0.7
69.07071	0.2
69.25276	1.1
71.07372	3.2
71.08635	0.4
73.06583	0.2
76.24304	0.1
79.05476	0.2
81.07063	0.7
83.08640	0.2
85.10191	0.3
86.09708	28.8
87.04455	0.2
87.10053	0.4
88.84572	0.2
89.06037	1.6
90.35501	0.1
91.05497	0.2
93.07059	0.3
95.08622	0.3
98.97842	0.3
98.98464	3.1
104.10730	1.9
107.08609	0.2
109.10142	0.2
125.00010	18.8
133.08611	0.9
143.01097	0.2
156.93918	0.1
177.11227	0.2
183.20929	0.1
184.07349	100.0
185.07689	1.2
237.40494	0.1
278.82849	0.2
340.01862	0.2
437.01788	0.2
549.40479	0.2
626.62860	0.2
646.20911	0.2
746.49762	3.1
747.39478	0.7
747.51654	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	746.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.7
57.03438	12.3
57.07076	6.6
61.02909	4.8
64.46687	2.7
67.05511	58.1
69.03413	2.7
69.07072	30.1
69.31548	17.1
71.04994	10.1
71.08648	3.9
73.02911	2.5
78.12182	2.3
79.05487	27.1
81.03415	28.2
81.07060	45.1
83.04979	10.8
83.08626	26.8
85.02917	18.7
89.75445	2.6
91.05489	23.5
93.07048	21.4
95.04985	11.1
95.08612	34.8
97.02890	5.7
97.06533	2.4
97.10183	4.6
105.07027	13.1
107.04964	5.4
107.08598	12.6
109.10160	34.0
111.04433	2.8
111.08111	5.1
111.11709	3.1
117.07060	3.1
119.08585	13.4
121.10148	14.4
123.11674	2.9
129.06992	6.6
131.08580	7.3
133.10155	5.9
135.11713	4.5
137.09601	3.7
147.11729	9.5
157.10172	4.9
175.11179	5.7
184.07384	4.8
193.12219	22.4
209.54356	2.7
211.13266	30.7
212.13541	3.0
255.15843	3.5
267.16006	8.9
285.16937	36.1
287.18558	6.4
311.71085	3.3
312.95273	2.7
337.27301	11.9
339.28967	41.3
340.29144	3.6
491.37289	40.9
517.38837	3.5
531.40448	5.4
549.41522	100.0
550.41632	10.4
746.42188	5.1
747.40948	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04150	2.3
55.05515	17.5
57.03443	9.4
57.07068	4.2
58.26546	2.9
67.05508	100.0
69.03443	3.7
69.07078	23.0
69.49809	16.2
71.05006	23.6
71.08620	3.2
79.05476	21.4
81.03415	5.8
81.07068	51.3
83.04990	8.1
83.08622	13.8
85.02908	5.8
85.10255	3.3
91.05478	17.7
93.07043	26.4
95.04992	4.7
95.08617	41.9
97.06533	5.8
97.10183	7.7
98.22650	2.7
99.18437	2.9
105.07038	5.6
107.08601	17.0
109.10160	69.3
111.08096	5.8
119.08597	17.4
121.10153	11.9
123.11710	3.9
131.08577	4.0
133.10153	4.7
135.11662	13.1
137.09651	8.8
137.13194	4.1
147.11755	5.2
149.13300	5.0
149.71309	2.9
163.11147	4.2
163.14964	3.9
173.11777	8.4
175.11215	2.8
176.78036	3.0
184.07394	9.0
188.24031	2.8
193.12242	6.8
198.24376	3.0
211.13365	6.8
211.40945	3.4
213.14914	5.0
255.16046	5.2
285.16855	4.8
287.18527	27.7
337.27335	21.7
339.28851	6.8
473.36130	4.9
491.37341	87.5
492.37546	7.2
517.38757	10.7
549.41534	81.6
550.41724	8.5
584.77460	2.7
747.41559	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	747.1552
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.03946	1.1
54.35676	0.5
55.01877	2.3
56.04823	0.6
65.03943	1.7
67.01860	0.6
67.05508	0.8
68.99792	8.3
69.65710	1.2
69.66099	1.3
74.79379	0.5
77.03937	0.9
79.01823	1.1
81.03433	3.3
83.06107	1.5
84.04501	2.4
85.02885	0.6
91.05469	0.6
95.04972	1.6
97.02888	1.0
99.04450	1.3
102.26859	0.6
105.03370	1.5
107.05004	0.5
109.02895	4.1
111.00813	7.7
111.04444	2.0
112.03992	1.5
115.05424	0.7
119.04963	1.7
121.02858	1.2
123.04434	77.0
124.04775	2.1
127.03921	100.0
128.04257	2.0
129.06656	1.0
130.05022	2.6
131.04948	0.8
133.02872	1.5
135.04427	2.4
137.02316	1.4
137.05975	0.8
139.03905	65.3
140.04263	1.8
143.03381	0.7
143.77911	0.6
147.04414	11.3
149.02367	3.3
149.05968	0.8
151.03912	31.1
152.04221	0.8
153.01834	25.1
155.01624	1.1
155.03423	2.5
155.04620	0.5
157.06474	1.2
159.04445	1.9
161.02412	1.1
161.05994	1.6
163.02399	0.8
163.03905	8.4
165.00040	0.6
165.01819	0.6
165.05504	3.9
167.03383	5.2
167.04735	0.9
169.06430	0.6
171.04399	1.6
173.06065	0.8
175.03911	15.7
177.01892	0.7
177.05463	6.1
179.01750	2.1
179.03391	38.7
180.03764	1.0
181.04910	1.0
183.01172	0.8
183.04372	1.2
185.06027	3.5
187.03946	1.2
189.05469	4.3
191.01653	1.4
191.03383	13.4
193.04950	4.6
194.39201	0.6
196.04312	1.2
197.06039	0.7
199.03903	1.8
201.05457	6.9
203.03403	25.7
204.03668	0.6
205.04951	1.7
208.04306	1.7
213.05476	5.5
215.03444	0.8
215.07104	0.7
217.04967	4.5
219.06479	1.1
221.04460	1.3
225.05339	1.1
227.03459	1.4
229.05000	5.1
231.06580	3.4
233.04457	7.0
241.04881	4.2
242.05791	1.0
243.06680	0.7
245.04480	10.9
247.05960	1.7
251.05540	1.4
253.05008	1.0
255.06599	1.1
257.01959	1.0
257.04486	12.2
258.04962	1.1
259.06149	3.7
263.05515	11.1
269.04453	7.6
270.05005	1.8
271.06064	3.3
273.07596	7.0
275.05521	20.1
276.05801	1.5
277.07108	1.5
282.04312	1.7
287.05502	54.7
288.05838	3.8
291.08728	3.7
299.05521	15.8
300.05905	1.1
303.03259	4.6
305.06635	8.7
306.07291	0.8
307.05936	0.7
311.05530	1.4
313.07184	0.7
315.08713	1.0
317.03116	1.0
317.06567	13.8
325.07169	0.8
329.08038	1.0
379.08026	1.3
391.08130	3.1
407.07507	0.7
409.09204	7.7
421.09418	0.9
425.08661	13.9
426.08856	2.1
427.10049	0.9
433.09140	1.0
443.09787	4.7
449.10156	2.0
451.10211	1.6
455.09460	0.8
481.09283	3.3
503.10770	0.8
503.75650	0.5
535.10291	0.6
559.12616	0.7
561.10010	1.0
578.13190	0.8
579.11237	0.9
610.12988	2.0
619.12054	0.7
673.12677	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	747.1552
Annotation	Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
Peak:m/z	Relative Intensity
53.00305	0.6
53.03944	1.4
55.01871	0.9
65.03922	1.0
67.05502	1.5
68.99792	6.4
69.95471	1.0
69.95861	1.0
77.03942	1.6
78.23734	0.5
79.01848	1.0
81.03432	3.7
85.02927	0.8
91.05455	0.7
93.82597	0.5
95.04965	2.4
97.02893	0.9
99.04467	0.9
105.03378	2.6
107.04952	0.9
109.02879	3.2
111.00805	7.8
111.04414	1.2
115.05426	0.6
119.04940	1.1
121.02872	1.9
123.04433	100.0
124.04765	3.6
125.02363	0.8
127.03921	76.9
128.04271	1.7
129.07051	0.6
130.94472	0.5
131.04929	1.4
133.02853	2.0
135.00809	0.6
135.04427	3.2
137.02335	0.9
137.06024	0.7
139.03905	44.2
140.04269	1.9
143.03392	0.6
143.04935	0.8
145.06474	1.0
147.04416	11.1
149.02347	2.1
151.03908	31.2
152.04251	1.1
153.01839	11.3
153.02957	0.8
155.03389	4.1
157.02791	0.6
157.06529	1.3
159.04430	2.4
161.06007	1.9
163.03891	6.4
165.05518	3.1
167.03436	2.3
167.07024	1.5
168.03777	0.7
171.04433	2.0
173.02396	1.3
173.06036	0.5
175.03909	15.8
177.05473	4.2
179.03400	35.8
180.03780	1.2
181.04964	0.8
181.06406	0.7
185.06026	1.2
187.03900	1.4
189.05498	4.0
191.03438	3.2
193.04968	3.5
199.03915	2.4
201.05475	4.6
203.03401	20.4
204.03810	0.9
205.05028	0.9
213.05487	4.6
215.03357	1.5
217.05006	4.6
219.06560	0.7
223.02385	0.7
227.03418	1.8
229.04982	1.8
231.06558	1.9
233.04433	1.8
237.05551	0.9
241.04939	4.1
245.04482	8.6
246.04848	0.8
247.02393	0.7
247.06010	1.4
255.06636	0.7
257.04404	7.6
258.05090	1.0
259.05991	3.2
263.05536	9.2
265.05011	1.2
269.04456	9.3
270.05130	0.7
271.05975	2.6
273.07593	4.7
275.05511	8.7
276.05640	0.6
277.06848	1.1
283.06033	1.6
285.07559	0.7
287.05505	51.6
288.05881	3.1
291.08749	1.6
299.05508	10.1
301.07169	1.5
303.05081	0.9
305.06564	12.4
306.07004	0.6
311.05499	6.9
315.08698	0.6
317.06589	4.1
325.07440	0.6
329.06567	3.5
371.41916	0.6
391.08075	1.5
407.07553	0.7
409.09146	7.2
421.09070	1.2
425.08502	4.5
426.08838	0.8
427.09729	0.7
433.09061	1.2
437.08670	4.3
443.09677	1.0
451.10251	1.8
455.09851	3.5
559.12091	1.0
577.13092	1.2
579.11670	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	747.1554
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
55.01867	1.6
57.99554	0.6
65.03934	1.3
68.99787	5.7
69.00134	0.9
69.01420	6.6
74.09747	0.6
77.03898	0.8
79.01845	4.4
80.82668	0.6
81.03427	0.9
84.73048	0.6
86.02527	0.6
88.69460	0.6
89.17429	0.6
91.05499	0.9
95.04942	0.9
97.02883	1.3
98.22671	1.6
105.03368	0.9
107.01333	1.3
109.02855	1.5
111.00800	5.5
111.04461	1.7
115.05450	0.8
117.06982	1.0
119.04938	1.6
121.02832	0.9
123.04430	32.6
124.04770	1.0
125.02316	2.9
127.03921	24.2
128.04378	0.7
131.04903	1.0
133.02823	1.3
135.04442	2.9
137.02356	0.8
139.03902	52.3
140.04271	1.7
141.06984	0.7
143.03380	6.4
143.04404	0.6
143.04970	0.9
145.06456	1.7
147.04399	8.7
149.02327	1.5
149.05966	1.0
151.03909	23.2
152.04094	0.8
153.01833	100.0
153.02901	5.5
154.02155	3.6
157.06496	1.3
159.04417	2.0
161.06013	3.0
163.03893	16.0
165.05515	4.4
167.03500	1.5
171.04404	2.7
173.05945	3.0
175.03914	10.4
175.05415	0.8
177.05412	4.2
179.03395	12.1
181.04941	1.0
183.04320	1.3
184.10188	0.6
185.05977	2.1
187.03960	1.7
189.05482	4.1
191.03383	3.7
193.05008	2.2
197.06026	1.9
199.03952	2.9
201.05450	5.3
202.05927	0.7
203.03398	17.5
203.06958	0.7
204.03775	0.7
205.05011	1.3
207.06570	1.0
211.04010	1.3
213.05489	5.1
215.03334	0.8
217.04962	5.1
219.06474	0.9
225.05484	1.0
227.03394	1.1
229.04907	5.6
230.05466	1.0
231.06564	1.4
233.04480	3.3
241.04942	3.5
242.05386	0.8
243.06497	0.8
245.04451	8.2
247.05856	3.7
253.04985	2.0
257.04453	12.0
258.04950	1.5
259.06012	4.0
263.05457	6.6
263.09311	1.2
264.06027	0.8
269.04327	3.8
271.06003	7.7
272.06400	0.9
273.07565	1.7
275.05511	15.6
276.05783	1.2
277.07077	0.9
283.06085	1.9
287.05490	62.6
288.05887	3.8
289.06973	1.9
291.08594	5.1
295.06052	1.0
299.05515	14.1
300.06229	0.8
301.07077	1.6
303.05115	0.9
305.06564	3.8
313.07495	0.7
317.06552	2.9
330.37131	0.8
331.04236	0.7
367.07703	0.8
398.34860	0.6
407.07648	1.2
409.09082	5.1
421.08875	1.2
425.08658	13.0
426.09164	1.4
427.10260	15.2
428.10651	1.7
433.09113	1.0
439.10349	0.8
451.10239	2.9
528.96246	0.6
595.10291	0.8
720.33252	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	747.1553
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.00293	0.9
53.03929	0.6
53.73529	0.7
55.01868	1.8
60.39492	0.6
65.03950	1.6
67.01876	0.8
67.05513	0.7
68.99789	7.2
69.67104	1.5
69.67517	2.1
77.03904	0.7
79.01844	1.6
79.05486	0.9
81.03408	2.1
89.03924	1.4
95.04932	1.1
98.23360	0.8
103.05467	1.2
105.03393	1.0
107.04976	3.8
109.02878	4.0
111.00797	5.3
111.04455	3.7
117.03392	0.7
117.07034	1.0
119.04966	0.9
121.02900	2.0
123.04433	30.7
124.04740	1.2
127.03919	80.8
128.04251	1.4
128.35799	0.6
131.04919	1.7
131.41750	0.6
133.02843	1.2
135.04414	29.9
136.04793	0.8
137.02345	2.3
139.03903	100.0
140.04227	2.6
141.06992	1.4
143.03436	0.8
145.02823	1.4
145.06404	1.2
147.04379	3.3
147.22075	0.6
149.02338	3.7
149.05977	2.9
151.03903	23.5
153.01820	13.3
153.02946	1.3
155.03377	1.9
155.04825	0.9
157.06502	0.7
159.04385	3.3
161.02313	1.4
161.05954	2.5
163.03912	37.7
164.04250	0.8
165.05502	1.7
167.03395	6.6
169.06499	1.7
171.04404	0.7
173.06041	3.6
175.03893	4.9
177.05409	4.5
179.03413	8.8
181.04950	1.7
181.06493	1.2
183.04410	2.0
185.06032	1.5
187.03914	5.8
187.36411	0.7
189.05521	2.1
191.03381	9.1
191.07008	1.0
192.03926	0.8
193.04976	3.6
197.05972	2.4
199.03877	0.8
201.05470	7.3
203.03410	10.2
203.07054	2.1
205.04964	4.3
209.06017	1.0
213.05493	3.6
215.03348	1.4
215.07028	2.0
217.05009	2.6
219.06564	0.8
223.02338	0.8
225.05557	1.0
227.03365	1.0
229.04930	8.5
231.02954	0.7
231.06535	2.6
233.04456	3.1
241.04938	1.6
243.06534	2.4
245.04474	6.8
247.06020	39.8
248.06430	2.2
251.05449	0.8
253.05003	1.5
255.06502	2.6
257.04456	7.7
259.06000	7.0
261.07584	0.9
263.05518	2.2
267.06580	0.7
269.04483	4.2
271.06021	13.6
272.06427	1.2
273.07562	1.4
275.05460	10.5
277.07178	0.7
283.06046	10.4
287.02393	1.5
287.05499	23.1
288.05768	1.3
289.07068	12.9
290.07587	0.9
295.06076	1.8
297.07571	1.4
299.05460	6.1
301.07059	16.4
305.06638	2.2
307.08295	0.8
317.06622	1.9
323.05527	1.5
365.56998	0.7
383.38239	0.7
389.06625	1.3
407.07678	7.7
408.08130	0.9
409.09134	15.5
410.09235	1.4
425.08679	10.3
426.09122	1.2
427.10110	2.1
437.08707	1.0
443.09799	1.4
451.10068	1.9
459.09265	0.9
595.11005	0.7
633.76172	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	747.3771
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03942	0.6
55.01873	0.5
55.05518	1.0
57.03439	1.5
58.74447	0.3
59.05001	0.6
61.02929	3.4
67.05502	2.7
69.00417	2.9
69.03432	3.1
69.07072	0.9
71.04997	1.3
73.02927	3.2
79.05495	3.9
79.62733	0.3
81.03416	4.6
81.07056	3.1
83.08624	1.4
85.02911	4.2
85.06545	0.5
91.03966	1.9
91.05484	4.0
93.07050	3.6
95.04975	2.1
95.08598	1.7
97.02887	3.7
97.06551	1.2
97.60255	0.3
98.23384	0.5
99.04460	0.8
101.02402	1.3
103.03954	0.7
103.05476	0.3
105.07025	3.1
107.04999	0.8
107.08586	1.8
109.02875	1.0
109.06566	0.7
109.10197	0.4
111.04436	0.4
111.08134	0.8
115.03920	0.5
117.07059	0.7
119.08594	2.4
121.06532	1.1
121.10142	3.5
125.09660	0.4
127.03953	1.2
129.07039	1.1
131.08534	2.3
133.10178	1.4
137.06010	1.5
137.09625	0.9
139.03909	0.4
139.11223	1.2
142.07849	0.4
145.10139	0.8
147.04443	0.7
147.08038	0.7
147.11722	1.6
149.09604	2.7
151.03920	0.8
157.10196	1.3
163.11288	0.6
165.12810	0.4
165.92725	0.3
167.07120	1.1
167.10728	0.6
174.90388	0.3
175.11243	0.9
183.06491	0.4
185.04271	0.7
193.12213	2.1
197.15483	0.5
203.05293	0.6
211.13338	1.0
225.10986	0.5
225.14792	0.7
243.08368	2.8
251.12448	0.5
267.16071	1.2
269.13608	1.7
283.15103	3.6
284.15692	0.4
302.04297	1.3
317.06577	3.0
318.07077	0.4
339.18018	1.1
425.18265	0.4
427.19696	0.4
443.18820	6.0
444.19553	0.6
469.20547	3.2
487.21530	7.4
487.28333	0.5
488.22363	0.7
501.23022	14.8
502.23508	1.2
508.09558	0.3
541.29865	0.4
567.31085	0.5
573.25098	0.4
703.35181	2.7
729.36438	1.2
747.37738	100.0
748.38019	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	747.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01878	0.9
55.05511	1.3
57.03444	1.4
59.05000	0.7
61.02648	0.5
61.02930	3.9
64.39883	0.4
67.05501	3.2
69.03434	3.0
69.07072	1.4
70.55485	0.4
70.55818	0.4
71.01360	0.4
71.05001	1.2
73.02930	2.6
75.82814	0.4
77.13475	0.3
79.05494	4.0
81.03419	6.1
81.07065	3.4
83.08639	1.3
85.02907	4.9
87.04457	0.8
91.03967	3.0
91.05484	3.5
93.07045	3.5
95.04984	2.3
95.08627	1.6
97.02905	3.7
97.06557	0.9
97.10157	0.4
97.67481	0.3
99.04485	1.2
99.08132	0.4
101.02397	1.7
103.03999	0.7
104.65844	0.4
105.07035	2.9
107.04981	0.6
107.08622	1.5
109.02892	0.9
109.06542	0.8
109.10223	0.4
111.08104	0.5
119.08568	2.4
121.06499	0.5
121.10160	3.7
123.08098	0.6
125.09644	0.5
127.03958	1.7
129.07031	0.9
131.08591	2.7
133.10191	1.5
139.11227	1.2
147.08051	0.4
147.11687	2.0
149.09627	3.2
150.10022	0.4
157.10162	1.7
167.10672	0.7
175.11237	1.4
185.04265	0.5
193.12241	2.4
203.05368	0.6
207.13692	0.4
211.13358	0.5
219.84940	0.4
225.11006	0.5
225.14970	0.5
233.11484	0.4
236.50140	0.4
243.08385	2.9
251.12834	0.4
267.15924	1.9
269.13693	1.5
283.15164	4.3
339.17816	1.1
443.18936	7.4
444.19067	0.7
469.20392	4.0
487.21497	8.6
488.22015	1.0
501.23044	14.3
502.23648	1.7
573.25421	0.8
585.32104	0.4
657.29761	1.1
703.35248	2.8
729.36621	2.0
730.36884	0.5
747.37701	100.0
748.37982	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	747.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.03452	1.3
57.07074	1.0
58.43014	0.8
60.08166	1.4
65.51601	0.8
67.05499	4.3
69.07067	2.6
70.94502	1.0
71.07393	0.9
79.05510	2.4
81.03411	4.1
81.07072	4.4
82.32037	0.8
83.08623	2.5
85.02904	1.3
86.09705	5.0
91.05493	2.1
93.07064	2.6
95.04989	1.3
95.08627	2.1
97.06604	0.9
98.23389	2.7
104.31974	1.0
105.07042	2.2
109.10155	2.3
118.82549	0.8
119.08625	1.5
119.44077	0.9
121.10146	1.2
123.11806	0.8
125.00038	2.5
133.10129	1.2
157.10162	1.2
175.11201	1.3
184.07361	11.5
193.12262	2.2
195.00316	11.2
211.13310	3.7
212.13745	1.1
224.98608	0.9
228.95741	1.0
285.17050	2.7
286.17459	1.5
323.18210	1.4
339.29102	2.4
340.29352	2.8
352.66876	1.1
380.22125	0.9
491.37341	1.0
492.37994	1.5
525.35492	2.1
549.41516	2.1
550.41882	4.8
575.39240	4.9
697.36530	3.7
747.40784	100.0
748.41180	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	747.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
57.03444	0.6
67.05525	0.8
69.89707	2.3
71.12048	0.6
79.05507	0.9
81.03433	1.4
81.07063	1.1
83.08650	1.1
86.09719	1.4
93.07066	0.7
95.08609	0.8
109.10220	0.7
119.08609	0.8
125.00076	1.1
140.52390	0.6
184.07330	6.3
195.00330	5.6
286.17783	0.6
307.63074	0.6
339.29120	1.3
387.29059	0.6
446.38623	0.7
525.35632	1.0
550.42212	2.0
575.39532	2.6
697.37378	1.8
747.40845	100.0
748.41083	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67561	0.3
53.03948	0.8
55.05523	1.1
57.03440	1.7
57.07066	0.3
61.02929	5.1
67.05507	3.1
69.03427	3.3
69.07076	0.8
71.01363	0.6
71.05009	0.7
71.08704	0.4
73.02928	3.6
79.05496	2.8
81.03419	4.3
81.07059	3.8
83.08634	1.9
85.02908	5.0
91.03953	2.8
91.05489	2.6
93.07048	2.4
95.05002	1.4
95.08616	2.7
97.02917	3.6
97.06584	0.5
99.04490	1.1
101.02379	1.6
103.03935	0.5
104.65832	0.3
105.07027	1.6
107.04978	0.4
107.08611	1.5
109.02929	0.5
109.10178	0.8
111.08081	0.9
117.79754	0.4
119.08626	1.6
121.10174	1.6
121.41734	0.3
123.85966	0.3
127.03954	1.4
129.07047	0.6
131.08609	1.0
133.10168	1.0
135.11716	0.8
147.11725	0.8
157.10225	1.1
175.11217	0.6
184.07417	1.3
185.04262	0.7
193.12259	2.6
203.05385	0.4
211.13261	1.6
221.11543	0.4
243.08424	2.7
245.00816	0.3
251.12549	2.8
285.68240	0.4
307.15247	0.7
469.20480	9.3
470.20834	0.7
476.21396	0.4
519.29346	4.5
520.29846	0.4
747.42841	100.0
748.43182	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01879	0.4
55.05507	1.7
57.03437	2.2
57.07066	0.2
60.08152	0.4
61.02610	0.4
61.02925	6.5
65.03938	0.3
65.65112	0.2
67.05502	4.9
69.03426	3.3
69.07070	1.1
71.01363	0.6
71.04995	0.9
73.02913	4.9
73.03309	0.3
75.04476	0.2
79.05490	4.1
81.03418	3.0
81.07050	5.2
83.08636	1.0
85.02904	7.0
86.09708	1.3
87.04480	0.6
91.03960	3.5
91.05470	2.7
93.07043	4.2
95.04954	1.0
95.08601	4.2
97.02887	5.3
97.06539	0.4
97.10209	0.2
99.04482	1.0
101.02388	2.0
103.03950	0.5
104.10734	0.2
105.07039	1.6
107.04951	0.2
107.08591	2.0
109.02865	0.9
109.06541	0.3
109.10156	1.4
115.03962	0.3
117.07056	0.5
119.08591	1.3
121.10169	1.8
123.11747	0.5
125.00021	0.8
127.03933	1.4
129.05432	0.2
129.07019	0.4
131.08604	0.8
133.10118	1.1
135.11729	0.8
145.05098	0.2
145.10181	0.5
147.11647	0.9
149.13324	0.6
157.10152	0.6
159.11717	0.4
163.14827	0.2
173.13187	0.2
175.11244	0.4
184.07339	3.9
185.04295	0.7
185.07732	0.5
193.12292	0.5
203.05295	0.4
211.13356	0.3
243.08391	1.8
243.10289	0.2
251.12509	1.2
261.22266	0.2
335.25784	0.7
469.20514	3.9
470.21005	0.3
497.30975	0.2
519.29285	8.7
520.29724	0.6
527.40350	0.2
566.65076	0.2
585.37872	0.2
747.42798	100.0
748.43134	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.90743	0.3
55.01857	0.3
55.05507	0.9
57.03431	1.5
60.91759	0.3
61.02929	4.2
65.30283	0.3
67.05502	3.1
68.05847	0.3
69.00051	2.2
69.03436	2.4
69.07080	0.8
71.01363	0.4
71.05011	0.4
73.02917	3.0
79.05482	2.5
81.03423	2.8
81.07059	2.7
83.08636	0.9
85.02908	4.2
86.09709	0.6
87.04497	0.4
91.03951	2.2
91.05487	2.2
93.07034	1.6
95.04979	1.1
95.08612	2.1
97.02893	3.4
99.04495	0.6
99.89895	0.3
101.02391	1.4
105.07038	1.6
107.08620	1.0
109.02918	0.7
109.06538	0.3
109.10155	0.7
115.03985	0.3
117.05479	0.3
119.08586	1.2
121.10180	0.8
127.03939	0.7
129.06993	0.4
131.08617	1.0
131.71190	0.3
133.10153	0.8
135.11745	0.3
145.10135	0.4
147.11696	0.6
157.10158	0.6
175.11235	0.3
184.07327	1.6
185.04221	0.4
193.12318	0.7
203.05333	0.4
211.13327	0.3
243.08452	0.9
251.12718	0.6
263.58218	0.3
291.21286	0.3
311.08664	0.3
335.25854	0.5
469.20459	7.3
469.26541	0.5
470.20734	0.7
485.07660	0.3
519.29285	4.4
652.24786	0.3
687.33551	0.3
747.42841	100.0
748.43146	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	747.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
57.03430	2.3
60.08179	4.0
61.02933	5.3
63.30950	0.7
67.05510	7.6
67.19153	0.7
69.03428	3.6
69.07069	2.9
71.05005	1.1
71.07378	3.1
71.28409	0.8
73.02908	3.8
79.05495	3.9
81.03414	3.9
81.07069	7.8
83.08614	2.7
85.02922	5.1
86.09712	15.8
87.10018	1.7
89.06037	1.6
91.03977	2.4
91.05502	2.4
93.07041	3.8
95.04993	1.5
95.08603	5.6
97.02900	4.2
98.98499	2.0
99.04469	1.2
101.02369	2.7
104.10748	1.1
104.92774	0.7
105.07039	3.4
105.46092	0.8
107.08580	2.4
109.02935	0.8
109.10169	1.8
121.10191	2.0
125.00013	9.9
127.03969	1.6
133.10127	1.4
135.11691	1.8
145.10179	1.2
147.11736	1.1
163.11209	1.5
184.07350	51.1
185.07713	6.4
195.00323	6.0
197.66779	0.7
211.75897	0.7
224.77797	0.8
243.08485	1.8
249.10983	4.6
258.08774	1.0
393.34369	1.0
467.18930	3.3
467.77515	0.9
469.20291	3.7
519.29285	3.1
521.30798	1.8
525.35461	1.3
550.41821	1.4
575.39685	2.5
577.31061	2.0
697.37244	1.3
747.42676	100.0
748.42877	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.5
55.05517	1.6
57.03438	2.1
57.07079	0.7
61.02927	6.0
67.05509	4.5
69.03429	3.8
69.07068	1.6
71.01340	0.5
71.04990	0.7
71.08638	0.6
73.02917	3.8
79.05499	3.3
79.75482	0.3
81.03424	3.9
81.07062	5.0
83.08633	1.3
85.02912	5.6
89.06054	0.7
91.03961	2.9
91.05488	2.3
93.07043	3.9
95.04987	1.0
95.08615	3.3
97.02898	4.6
99.04465	0.5
101.02386	1.9
105.07054	1.4
107.08599	1.8
109.02900	0.5
109.06612	0.4
109.10187	1.3
111.08093	0.7
119.08591	1.1
121.10170	1.3
127.03933	1.2
129.05484	0.4
131.08600	0.9
133.08633	0.5
133.10147	0.8
135.11707	0.7
147.11710	0.8
165.12863	0.5
165.82172	0.4
184.07384	1.1
185.04190	0.4
193.12312	1.4
211.13400	1.0
235.46234	0.4
243.08406	2.3
251.12566	4.8
307.15317	0.6
321.24673	0.4
335.25604	0.4
469.20483	4.9
519.29248	6.9
520.29541	1.0
585.37622	0.5
726.13477	0.4
747.42847	100.0
748.43213	13.9
748.57074	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
61.02924	4.6
67.05493	4.2
69.03432	1.9
73.02927	4.1
79.05498	4.9
81.03423	1.9
81.07071	5.4
85.02918	5.3
86.09718	2.4
91.03952	2.4
91.05500	2.3
93.07059	6.3
95.04944	1.5
95.08631	3.3
97.02895	2.3
98.22603	5.3
101.02388	1.9
105.07064	2.3
107.08595	3.0
109.30268	1.5
117.07042	2.1
121.10147	3.0
125.00037	2.8
149.13312	4.0
157.68713	1.5
184.07368	12.3
209.90594	1.6
226.06248	1.3
229.10725	1.9
235.12946	1.9
243.08394	3.9
301.09085	1.6
453.20944	11.8
535.28748	4.7
537.22412	1.7
595.04504	1.5
629.11682	1.5
715.63806	1.8
723.92993	1.8
747.42798	100.0
748.43445	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05508	2.0
57.03434	2.3
60.08159	2.4
61.02932	5.0
63.72019	0.5
65.99352	0.6
67.05513	6.1
69.03432	3.3
69.07069	1.8
71.04977	0.5
71.07378	1.4
73.02927	3.9
78.08529	0.6
79.05495	4.0
81.03423	1.4
81.07051	6.6
83.08620	0.9
85.02919	5.0
85.90972	0.5
86.09706	10.2
87.10030	1.9
91.03957	3.5
91.05505	3.8
93.07050	5.6
95.04979	0.9
95.08603	3.2
97.02892	4.2
97.06535	1.4
98.98491	1.7
99.04457	1.0
101.02393	1.2
105.07037	1.4
107.08581	4.6
109.02895	0.9
109.10134	1.3
111.08114	0.5
117.07024	0.6
119.08617	2.5
121.10161	2.0
123.08081	0.6
125.00010	7.4
127.03906	1.7
129.06992	0.8
131.08560	1.5
133.10153	2.2
135.11688	1.4
147.11676	0.7
149.13278	2.2
159.11647	0.9
184.07353	32.0
185.04225	1.3
185.07671	3.7
195.13898	0.7
212.78532	0.6
229.74500	0.5
235.13025	0.9
243.08479	2.5
301.08984	1.1
346.48694	0.7
453.20953	9.4
469.20450	1.1
515.05310	0.6
525.23029	1.2
529.38873	0.9
535.28668	3.9
747.42822	100.0
748.43134	15.7
762.34235	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05516	2.9
57.03442	2.5
57.07084	3.1
60.08173	0.9
61.02927	4.9
65.55795	0.7
67.05509	7.8
69.03436	2.9
69.07072	4.1
69.26411	3.9
69.26817	1.5
71.08627	2.6
73.02924	3.8
73.06570	1.0
73.46225	0.8
75.79183	0.7
75.95408	0.8
79.05501	3.5
81.03435	1.5
81.07070	7.0
83.08615	1.8
85.02899	5.7
85.10198	1.2
86.09705	7.3
89.06036	9.2
91.03969	3.8
91.05493	2.4
93.07058	3.1
95.08607	7.3
97.02911	6.6
97.10198	1.1
99.04494	0.9
101.02384	1.3
107.08624	1.7
109.10123	1.5
119.08636	2.1
125.00014	4.8
127.03976	1.5
133.08586	4.0
133.10179	1.0
135.11700	1.9
163.11218	1.3
171.58202	0.8
184.07349	21.4
184.08929	1.4
185.07759	2.9
194.75177	0.9
203.05254	1.1
227.12943	1.1
228.35228	1.0
232.66736	0.8
242.25406	0.8
243.08406	1.4
249.10988	11.6
251.99272	0.9
276.06049	0.9
305.13541	1.2
467.18884	5.3
506.40244	0.9
521.30957	8.3
747.42804	100.0
748.43109	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.1
55.76138	0.8
56.05025	1.5
60.04510	1.0
65.03941	1.1
68.99793	2.0
70.02954	19.0
70.81413	1.7
72.04533	0.8
74.00680	1.8
74.02442	2.2
75.24476	0.7
76.04007	6.0
79.01843	3.8
83.06102	8.1
83.15959	0.7
84.04504	12.4
84.04967	1.1
88.04017	2.0
97.02911	1.5
99.05572	8.0
107.01339	1.0
107.06091	1.9
107.18658	0.8
108.04504	0.9
109.06541	0.8
109.07661	4.2
110.06069	1.1
111.00827	1.0
111.04458	3.1
112.03970	5.4
116.01727	1.4
116.03487	2.3
117.06628	2.2
119.04961	1.8
121.01083	1.0
121.02878	1.0
123.04438	5.0
125.02358	2.7
125.07124	1.8
127.03936	8.1
127.04969	1.2
128.04230	1.0
129.06602	12.3
130.05005	25.8
135.02736	1.9
135.04459	2.8
135.05469	1.3
136.02190	2.0
137.00578	1.2
137.02336	1.4
139.03908	68.3
140.04221	3.8
143.03391	6.9
144.01187	1.0
145.06087	100.0
146.06441	2.5
147.04443	3.5
148.05199	7.3
149.00572	9.4
149.04747	1.0
149.05936	0.8
151.02132	0.9
151.03944	4.0
153.01834	95.1
153.02849	5.3
153.06606	6.6
154.02139	4.2
155.01607	12.5
155.08162	7.9
160.00655	1.1
162.02310	1.1
162.03775	2.8
162.05496	5.8
163.02165	8.6
163.03926	14.5
164.01663	1.6
164.04333	1.1
165.00024	3.9
167.01636	6.0
169.06091	1.5
170.04550	2.7
175.06306	3.9
177.05486	0.9
179.01625	12.3
179.03253	1.7
181.03206	14.3
181.04773	1.5
181.06143	2.8
182.02740	3.2
183.01120	1.2
184.04274	0.9
187.03899	1.2
190.03281	2.6
190.31445	0.9
190.94264	0.8
191.01704	1.7
191.03383	1.4
193.03212	1.4
193.04927	0.8
195.01149	1.4
196.04225	2.6
199.07147	9.2
207.01183	0.9
208.04283	32.0
209.02718	8.6
209.04521	0.9
211.07262	1.1
215.01610	0.7
219.01103	2.2
220.04268	6.7
226.05339	8.0
227.05763	0.8
229.03156	1.1
233.02652	1.0
247.06070	2.5
248.06094	1.0
253.04849	0.8
257.02509	5.4
257.07745	0.9
259.06201	1.1
261.02109	1.1
265.06390	1.8
266.04855	1.3
270.05219	3.4
271.05969	2.1
272.06418	1.7
274.10327	10.1
277.06644	1.1
282.04492	0.8
285.02057	4.2
286.02710	1.3
287.05579	1.7
288.00943	1.6
288.05948	1.4
295.05969	0.8
299.06940	7.7
303.03214	36.5
304.03467	2.0
305.04572	1.1
311.06955	73.8
312.07254	3.1
323.07074	4.6
329.04654	6.3
329.08078	24.1
330.08496	0.8
333.06171	1.8
346.07681	1.8
355.09705	0.8
365.08093	1.2
367.59128	0.8
378.06409	3.0
383.09076	9.9
406.05811	7.5
410.09402	1.9
426.09000	0.8
440.11319	1.5
449.10165	15.2
458.12216	7.3
467.11545	1.6
481.09140	25.0
482.09421	1.7
503.11194	12.2
504.11377	1.1
516.09766	1.2
521.12103	2.2
535.10217	13.0
536.10065	0.9
578.14441	2.2
601.11340	0.9
610.13324	13.1
611.13092	1.0
619.12347	1.2
621.28424	0.9
673.13379	8.0
748.14655	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	748.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05513	5.5
57.03434	1.2
57.07079	9.7
60.08162	6.4
63.20546	0.8
67.05512	11.9
68.05867	1.5
69.03429	1.0
69.07066	6.0
71.04989	1.4
71.07380	3.6
71.08643	5.2
79.05496	5.0
81.03407	1.4
81.07064	25.2
82.07430	0.9
83.04993	2.4
83.08625	4.2
83.57988	0.8
85.06533	0.9
85.10192	3.3
86.09711	29.1
86.10245	1.4
91.05480	4.3
93.07040	5.1
95.04971	1.2
95.08611	11.7
95.53930	0.7
97.06530	1.1
97.10186	2.1
98.98445	4.3
104.10747	1.3
105.07066	2.6
107.08578	4.3
109.06538	7.3
109.10143	8.0
111.04445	11.3
111.08086	1.0
117.07061	0.9
119.08577	4.8
121.10152	4.3
123.08095	1.8
123.11708	2.4
124.13210	0.7
125.00008	19.9
125.00870	1.4
125.06020	3.3
131.08597	1.3
133.10156	3.0
135.08067	2.0
135.11710	4.8
137.05981	73.7
137.09622	1.3
137.13275	1.3
138.06317	2.2
143.08562	0.9
145.10126	1.9
147.11696	4.8
149.09610	3.2
149.13280	1.2
151.07568	1.4
151.11273	1.0
157.10185	1.3
159.11761	1.7
161.09615	5.2
161.13283	2.3
163.11197	2.4
165.09143	2.1
167.10667	0.9
171.11659	1.2
175.11249	4.8
175.14682	0.9
177.12715	1.0
179.10616	1.0
184.07356	100.0
185.07709	2.0
189.12758	1.0
193.12276	1.2
195.00296	4.3
203.17935	4.4
213.16377	2.4
221.18982	3.0
231.17433	4.9
237.05888	0.9
249.18515	5.7
277.17990	37.7
278.18301	2.3
282.27921	1.6
287.18552	0.9
295.19040	7.2
313.27377	12.5
314.27905	1.1
320.22186	4.3
351.21732	8.5
491.37814	1.4
492.37842	2.2
493.37921	2.7
507.39786	0.9
550.41473	1.0
551.42139	2.7
576.39471	2.1
589.44678	59.4
590.44952	9.6
607.45740	9.6
608.46356	1.7
698.36633	1.5
748.40057	4.6
748.52563	1.7
749.43030	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	748.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.3
56.05044	0.8
57.07068	0.4
58.06625	0.4
60.08167	5.3
61.08481	0.1
62.14876	0.1
62.64487	0.2
67.05502	0.6
68.44892	0.2
69.07069	0.4
71.05003	0.3
71.07375	3.5
71.07761	0.3
71.08609	0.2
77.95850	0.1
79.05492	0.2
81.03447	0.3
81.07059	1.0
83.08616	0.2
86.09709	28.2
87.10033	0.5
90.61359	0.1
91.05489	0.2
93.07090	0.3
95.08602	0.6
97.06541	0.1
97.10143	0.1
98.98466	2.9
104.10744	1.8
105.07042	0.2
109.10159	0.2
111.04436	0.3
117.07040	0.2
119.08610	0.2
121.10206	0.2
125.00009	18.6
126.00344	0.2
133.10110	0.2
135.08073	0.2
137.05986	2.2
143.00986	0.2
147.11714	0.2
149.09622	0.2
151.11134	0.1
163.09821	0.1
163.11172	0.2
184.07349	100.0
185.07687	1.9
195.00305	1.2
203.17972	0.2
249.18423	0.2
277.18024	1.1
295.19012	0.3
313.27377	0.5
484.26276	0.3
507.40424	0.2
526.35516	0.2
576.39197	0.4
589.44678	1.4
590.44806	0.3
607.45557	0.3
698.36523	0.4
716.47949	0.2
748.51556	2.4
749.50616	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	748.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
56.05025	1.0
57.07069	2.1
58.06610	0.7
58.60593	0.5
60.04513	1.3
60.07890	0.6
60.08167	7.3
63.43453	0.5
67.05501	3.5
69.07060	1.8
70.96991	0.4
71.04985	0.6
71.07378	3.5
71.08629	1.2
71.30144	0.4
79.05482	2.8
81.03416	1.3
81.07055	4.4
83.08632	1.6
85.10190	0.8
86.09706	34.0
87.10020	1.0
87.89764	0.5
88.71690	0.4
91.05472	1.9
91.17578	0.5
93.07040	1.8
94.06508	0.5
95.04967	0.9
95.08604	2.9
97.10161	1.0
98.98485	3.1
104.10738	2.1
105.07041	1.0
107.08596	1.6
107.90379	0.5
109.06513	0.6
109.10150	1.5
111.04456	0.9
119.08552	1.0
121.10133	1.0
123.11806	0.6
125.00011	24.2
126.53779	0.4
133.10130	1.0
137.05978	3.8
157.10054	0.6
169.73381	0.6
176.99196	0.6
184.07346	100.0
185.07697	2.0
193.12048	0.5
195.00317	11.9
195.01997	1.0
196.00565	0.5
234.82420	0.5
267.16104	0.6
271.07877	0.5
277.18045	1.8
308.46121	0.5
313.27341	1.3
385.92050	0.6
505.38705	1.0
507.40286	0.7
522.35419	0.7
526.35553	0.6
527.36694	0.7
532.47034	0.6
550.48199	2.1
568.49329	1.2
576.39417	1.5
577.40717	3.1
589.44824	2.7
589.53955	0.5
590.44501	0.9
615.43451	1.0
632.43750	0.6
699.38220	3.5
716.49530	0.6
748.52374	3.3
749.43164	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	749.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
54.39409	0.4
55.01879	0.5
55.05512	2.2
56.19224	0.3
57.03442	1.6
61.02937	3.6
61.84096	0.3
67.05508	5.7
69.03434	2.7
69.07081	1.9
71.01344	0.8
71.05008	1.0
73.02918	3.6
79.05494	6.0
79.65738	0.4
81.03432	1.7
81.07056	5.8
83.04990	0.9
83.08608	0.6
85.02911	4.0
85.06532	0.4
91.03965	1.4
91.05500	3.1
93.07050	4.9
95.04980	0.9
95.08642	1.6
97.02892	3.8
97.06534	1.1
97.10184	1.0
99.04469	0.9
101.02387	1.1
105.07013	2.0
107.04965	0.7
107.08591	3.7
109.02894	0.9
109.06561	0.7
109.10169	1.0
111.08134	0.4
117.07040	0.5
119.08566	1.9
121.10159	1.1
122.79603	0.4
125.09670	0.6
127.03985	1.2
131.08618	0.6
133.10188	1.0
135.11713	3.3
141.07031	0.4
145.10170	1.3
147.11763	0.5
149.13335	0.4
163.11150	0.8
181.12312	0.4
184.07359	1.2
221.11546	1.0
227.12907	0.4
243.08385	2.3
249.39485	0.4
333.20529	1.5
389.22818	0.4
439.19406	11.1
440.20026	0.7
453.21155	1.2
551.28137	4.7
552.28583	0.9
587.35736	0.6
749.40778	100.0
750.41156	16.3
750.51215	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	749.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.64883	0.2
55.01888	0.9
55.05516	2.1
56.32383	0.2
57.03440	1.7
61.02930	4.8
67.05508	5.5
67.05842	0.4
69.03437	2.7
69.07071	2.2
71.01353	0.7
71.05018	0.9
73.02924	3.4
79.05502	4.2
80.05868	0.4
80.45121	0.3
81.03429	2.3
81.07069	5.5
83.04996	1.5
83.08640	0.9
85.02911	4.1
85.06534	0.5
85.84279	0.3
86.09745	0.5
87.04508	0.3
91.03967	2.0
91.05482	3.5
93.07055	4.9
94.07404	0.3
95.04989	1.3
95.08629	2.4
97.02913	3.8
97.06528	1.4
97.10207	1.3
98.23429	0.7
99.04477	0.9
101.02404	1.2
103.03956	0.5
103.05456	0.3
105.07057	2.0
107.04958	0.7
107.08610	3.2
109.02911	0.9
109.06564	0.7
109.10191	1.7
111.08089	0.4
117.07038	0.9
119.08601	2.1
121.06561	0.5
121.10177	1.4
123.08144	0.3
123.11757	0.6
125.09652	0.3
127.03939	1.4
131.08598	0.9
133.10179	1.1
135.08136	0.4
135.11710	4.3
143.08542	0.4
145.04953	0.6
145.10167	1.2
147.08083	0.3
147.11694	0.6
147.37866	0.3
157.10222	0.3
159.11653	0.3
163.11229	0.8
171.11636	0.3
181.12265	0.5
184.07426	1.4
185.04285	0.5
185.07748	0.3
203.05350	0.7
221.11531	1.0
229.14397	0.4
229.28564	0.4
243.08426	3.1
250.38635	0.3
255.15915	0.4
275.20178	0.8
315.10632	0.3
333.20538	1.0
349.23801	0.3
397.25531	0.3
439.19440	10.0
440.20029	0.9
453.20996	0.6
469.20184	0.4
520.33649	0.4
533.06226	0.4
551.28333	4.7
552.28302	0.5
651.33398	0.6
749.40790	100.0
750.41187	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	749.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.94034	0.3
55.01866	0.7
55.05513	2.3
57.02935	0.4
57.03451	1.9
61.02925	4.3
65.03935	0.5
67.05505	6.2
69.03439	2.8
69.07073	1.7
71.01360	0.6
71.04990	0.7
73.02924	2.4
79.05508	3.3
81.03419	2.4
81.07059	4.2
83.04990	1.0
83.08633	1.3
85.02908	4.3
86.09726	0.9
91.03951	2.2
91.05476	3.3
93.07047	4.9
95.04972	1.5
95.08615	2.6
97.02903	3.1
97.06548	1.3
97.10182	1.4
99.04459	0.7
101.02395	1.9
103.03960	0.5
103.70755	0.4
105.07017	2.0
107.04952	0.7
107.08589	3.5
109.02903	1.0
109.10152	2.4
111.08082	0.6
112.12306	0.3
115.03947	0.4
117.07007	0.8
119.08592	2.0
121.06504	0.4
121.10176	1.2
125.09671	0.6
127.03947	0.7
129.07011	0.6
131.08595	0.8
133.10158	1.6
135.11685	4.0
145.10129	1.2
149.09607	0.9
151.11198	0.7
159.11754	0.8
163.11249	1.5
173.11734	0.6
181.12297	0.9
184.07294	2.1
185.04196	0.6
203.05263	0.7
221.11664	0.6
229.14339	1.3
243.08426	2.7
249.60251	0.4
255.15773	0.5
270.69745	0.4
275.20178	0.8
277.14160	0.6
284.90536	0.4
333.20258	3.3
389.22644	0.7
439.19412	9.5
551.28204	5.3
552.28418	0.5
731.39819	1.1
749.40765	100.0
750.41058	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	749.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.2
57.03432	1.4
61.02934	3.9
67.05501	5.5
69.03448	2.2
69.07074	2.5
71.00099	1.9
73.02916	1.9
79.05503	4.1
81.03410	1.8
81.07066	5.0
83.04996	1.4
85.02926	3.5
91.03986	2.5
91.05503	2.1
93.07064	4.0
95.05013	1.3
97.02898	3.2
101.02374	1.7
105.07030	1.6
107.08607	2.4
113.06068	1.5
131.06964	1.2
135.11696	5.4
243.08420	2.9
333.20474	2.7
439.19382	11.1
544.74927	1.5
551.28326	4.4
749.40765	100.0
750.41296	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	749.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01873	1.1
55.05515	3.0
57.03436	1.9
61.02933	4.2
61.33463	0.3
63.15668	0.3
65.03938	0.4
67.05505	4.7
69.02675	2.4
69.03432	2.1
69.07068	1.8
71.01363	0.6
71.04995	1.0
73.02923	3.0
79.05495	4.7
81.03421	2.2
81.07072	3.8
83.04984	1.3
83.08618	1.8
85.02913	3.8
85.06560	0.4
87.04508	0.3
90.95416	0.3
91.03963	2.6
91.05476	2.5
93.07049	4.5
95.04978	2.4
95.08603	1.7
97.02898	4.0
97.06543	1.3
97.10181	1.2
99.04471	1.4
101.02400	1.6
105.07054	1.9
107.04966	0.9
107.08609	3.5
109.02893	0.5
109.06539	0.7
109.10169	1.1
111.04439	1.4
111.08063	0.5
115.03929	0.4
117.06998	0.6
119.08582	1.4
121.06554	0.4
121.09403	0.3
121.10143	1.5
125.09632	0.6
127.03954	0.8
131.08594	1.1
133.10155	1.1
135.08154	0.5
135.11711	4.8
145.10114	1.5
147.11688	0.5
149.09657	1.1
153.12732	0.4
159.11752	0.6
163.11179	1.7
181.12216	0.8
184.07393	1.0
185.04359	0.4
199.78627	0.3
203.05185	0.4
221.11554	0.8
243.08427	2.6
255.16231	0.3
275.20108	0.6
277.14270	0.4
301.09097	0.3
333.20309	2.0
389.23071	0.5
439.19418	9.4
440.19852	0.6
551.28198	5.7
552.28796	0.8
587.35718	0.5
749.40784	100.0
750.41083	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	749.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01878	0.6
55.05518	3.8
57.03428	1.6
57.07077	9.5
59.04995	0.8
66.08915	0.5
67.05179	0.8
67.05510	9.2
69.03419	0.7
69.07071	3.4
69.75088	2.7
71.04981	2.0
71.08627	5.4
77.99982	0.7
79.05498	5.9
81.03420	9.9
81.07061	9.6
83.04975	1.3
83.08619	3.9
85.02888	0.6
85.10187	3.2
86.09703	0.8
87.04482	0.9
91.05493	6.4
93.07055	4.0
94.07301	0.6
95.04969	2.9
95.08046	0.9
95.08614	7.4
97.06512	1.3
97.10168	1.5
98.98479	1.1
105.07008	3.1
107.04955	1.2
107.08598	3.2
109.02853	0.6
109.06503	0.7
109.10150	4.5
111.04382	0.8
111.08091	0.8
115.03689	2.1
117.07057	0.6
119.08628	2.8
121.10115	2.5
123.11728	1.2
124.99944	0.7
129.06996	1.1
131.08565	2.1
133.10129	1.6
135.11722	0.7
137.09612	0.7
144.65448	0.5
147.11668	1.5
149.09641	1.6
149.13252	0.7
151.25850	0.6
157.10112	1.8
163.11089	0.8
175.11182	0.8
176.99277	3.5
177.12708	0.5
184.07301	2.0
193.12285	1.3
195.00307	100.0
196.00597	0.7
206.91408	0.6
222.06789	0.6
267.15878	1.1
277.21457	0.6
283.15048	1.5
313.27328	3.4
323.18356	1.0
369.10873	0.6
418.15393	0.6
489.25751	0.6
493.38492	0.8
494.39307	0.8
505.38843	9.1
506.38849	0.8
527.37091	9.8
528.37189	0.9
545.38202	0.9
552.43256	1.3
577.40765	41.5
578.41193	4.9
589.47974	1.4
590.48743	4.1
595.41205	1.2
633.44867	5.5
651.45496	0.8
699.38409	31.5
700.38324	4.2
731.41522	1.5
749.42590	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	749.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01889	0.5
55.05517	1.8
55.64739	0.4
56.73181	0.5
57.03439	1.9
57.07080	0.9
61.02932	7.2
65.98184	0.5
67.05507	7.4
69.03436	4.4
69.07085	1.3
69.45657	2.1
69.46069	1.1
71.01350	1.0
71.05003	2.6
73.02923	4.5
79.05501	3.5
81.03420	2.8
81.07057	4.4
83.04990	0.6
83.08620	0.8
83.11652	0.4
85.02906	6.8
87.04496	0.9
91.03963	3.7
91.05502	2.4
93.07039	4.8
95.04987	1.1
95.08610	3.8
96.73090	0.5
97.02899	5.7
98.23267	0.8
99.04459	1.1
101.02385	2.6
105.07048	1.4
107.08612	2.0
109.02899	0.7
109.10172	3.0
115.03937	0.8
117.07053	0.8
119.08630	1.5
121.10159	1.7
123.11737	0.7
127.03957	1.5
131.08595	0.7
133.10144	1.0
135.11729	1.9
137.09618	0.8
137.47971	0.6
145.10188	1.1
157.10129	0.5
184.07402	2.0
185.04369	0.5
193.73141	0.5
203.05212	0.7
232.89116	0.5
243.08458	2.6
253.14204	1.0
267.16006	0.5
313.27588	0.6
323.16647	0.5
335.26041	0.6
343.49500	0.6
406.33762	0.6
427.19580	0.6
435.49945	0.6
469.20508	1.0
471.22025	5.4
472.22278	0.7
475.21442	0.5
519.29254	5.4
521.31244	0.8
749.44434	100.0
750.44818	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05505	1.9
57.03439	2.2
60.08180	0.7
61.02929	5.7
67.05505	6.7
69.03435	4.1
69.07079	1.4
69.18640	1.9
69.19061	2.1
71.05000	1.3
73.02906	4.1
79.05500	3.1
81.03425	2.2
81.07057	10.5
83.08646	0.9
85.02903	4.6
85.06548	1.0
85.10207	0.6
86.09727	2.2
87.04477	2.3
91.03950	4.3
91.05494	2.3
93.07056	5.3
95.04987	1.4
95.08606	4.6
97.02901	5.3
97.06532	1.5
99.04463	1.2
101.02418	2.3
105.07055	2.1
106.27737	0.7
107.08620	3.0
108.49726	0.6
109.02874	1.1
109.10167	1.4
117.07027	0.9
119.08633	0.7
121.10178	2.2
123.11742	1.0
125.00058	1.9
127.03934	2.0
129.24944	0.7
131.08606	1.5
133.10161	2.0
135.11774	1.0
149.13287	1.2
151.11246	1.0
159.11728	0.9
184.07364	7.2
188.14439	0.6
195.00267	0.6
203.70837	0.7
243.08496	2.3
248.45929	0.7
267.15915	0.8
276.05560	0.6
335.25995	0.9
427.19470	8.4
471.21872	6.6
519.29230	5.1
520.29541	0.9
595.09503	0.6
705.41711	7.3
706.42310	1.3
749.44397	100.0
750.44733	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	750.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
55.05519	12.2
57.03444	10.2
57.07078	5.0
59.68999	1.4
61.02935	6.3
65.03979	1.8
65.32655	1.4
67.05511	16.1
69.03444	4.5
69.07074	14.1
70.68848	1.5
71.01371	1.6
71.08646	2.9
73.02933	4.5
79.05483	10.0
81.03420	30.3
81.07059	20.3
81.07469	2.0
82.07436	2.2
83.05013	2.6
83.08633	15.3
85.02908	5.7
87.04474	10.5
91.03963	4.0
91.05509	6.8
93.07037	9.9
95.04966	9.5
95.08618	14.2
97.02916	6.2
97.10202	5.2
101.02393	1.9
105.07062	3.1
107.04993	2.1
107.08608	3.8
109.10178	5.0
111.08093	3.7
111.11766	1.8
119.08629	4.7
119.86786	1.5
121.10175	8.4
123.11710	3.0
125.09636	1.5
129.07034	2.4
131.08594	3.7
133.10155	2.6
135.11742	5.1
137.13354	1.6
147.11697	3.8
149.09685	2.1
157.10217	2.9
175.11256	2.8
184.07393	3.3
193.12286	9.0
219.21077	2.3
237.22153	2.4
243.08536	2.0
267.15930	51.9
268.16263	2.5
303.91290	1.9
311.25806	44.7
312.26221	2.1
378.46777	1.8
459.74731	1.6
470.21210	2.0
503.37363	39.3
504.37976	2.5
521.31104	3.2
521.38281	3.7
522.31366	4.4
750.44836	100.0
751.44818	15.5
777.22650	1.9
780.28845	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	751.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
54.33916	0.5
55.05517	2.3
57.03442	1.9
57.07081	1.3
61.02933	5.5
61.16907	0.6
67.05495	2.8
69.03432	2.4
69.07080	2.7
71.01382	0.7
71.04984	0.9
73.02906	3.4
79.05510	1.9
81.03413	3.1
81.07052	4.1
82.14912	0.6
83.08624	1.6
85.02911	5.2
85.06568	0.9
86.83659	0.7
87.04478	1.2
91.03949	3.3
91.05511	2.1
93.07066	2.3
95.04981	1.5
95.08601	3.0
97.02904	4.7
97.59504	0.6
98.22536	1.4
99.04465	0.7
101.02386	1.9
105.07026	1.2
107.08590	1.0
109.07182	0.6
109.10188	1.6
115.03960	0.7
119.08640	0.8
121.10180	0.8
127.03943	1.0
133.10132	0.9
135.11662	0.6
147.11732	1.2
149.09665	0.7
157.10245	0.8
175.11273	1.0
193.12317	1.0
243.08492	2.6
267.16016	1.2
313.27457	1.3
469.20486	7.4
470.21484	0.8
471.22141	1.4
505.38962	1.4
521.31219	2.4
523.32684	2.8
751.45996	100.0
752.46350	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	751.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
54.33230	3.6
55.05503	16.0
57.03437	13.6
57.07083	54.4
61.02916	8.5
67.05510	53.8
69.07072	18.5
69.07679	28.6
71.08634	39.8
73.02912	4.0
74.81042	3.5
79.05506	37.0
81.03436	5.2
81.07061	49.6
83.04980	3.6
83.08617	17.9
85.10201	18.6
87.04472	9.2
89.06049	4.6
91.05477	40.8
93.07054	35.1
95.08615	50.9
97.10195	10.8
105.04537	3.7
105.07035	50.3
107.08608	34.2
109.10155	14.4
111.05102	4.2
116.21643	3.9
117.07024	13.6
119.08568	44.4
121.10161	16.8
123.11707	5.6
124.55820	3.5
128.06212	3.9
129.06992	12.4
131.08580	26.9
133.10124	36.8
135.11674	23.0
143.08569	13.9
145.10107	23.4
147.11703	43.4
149.13258	8.9
157.10149	11.6
159.11685	21.9
161.13271	27.5
169.10129	4.4
171.11719	13.9
173.13255	13.6
175.14822	11.0
184.07434	4.9
185.13277	11.7
187.14813	5.7
199.14853	4.1
231.21092	12.1
239.23645	4.4
241.19496	35.0
257.19122	4.3
259.20602	76.1
275.20026	4.3
313.27356	100.0
315.23285	4.4
333.24265	47.0
367.22656	7.0
399.15814	4.2
571.47064	7.9
589.48267	22.2
623.76154	4.7
655.49402	8.0
657.74207	4.3
679.48737	6.3
744.49133	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	752.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01871	2.9
55.05513	13.8
57.03434	3.7
57.07075	1.6
61.02927	2.2
65.03957	1.4
67.05504	26.5
69.03423	1.7
69.07071	11.1
71.04995	2.1
73.02897	1.5
74.80239	1.0
78.84357	1.1
79.05496	23.6
81.03428	2.6
81.07058	28.6
83.04976	3.0
83.08620	11.4
85.02905	3.8
85.06536	1.6
86.09692	3.4
86.65137	1.1
87.04461	5.9
89.06029	1.2
91.05485	29.1
93.07047	24.0
95.04981	4.0
95.08608	18.7
95.09180	2.0
97.02876	2.0
97.06543	3.0
97.10168	3.9
98.22554	2.1
99.08063	1.2
105.07034	30.5
106.07391	1.4
107.04972	3.4
107.08588	14.1
109.06494	3.6
109.10149	5.9
111.08074	3.1
115.05464	1.8
117.07024	11.1
119.08577	21.3
121.06501	2.3
121.10148	12.4
123.08088	3.0
123.11710	1.1
128.06219	1.3
129.05536	1.1
129.07005	8.9
131.08578	25.5
132.08849	1.2
133.10124	10.6
135.07996	2.1
135.11693	4.6
141.06967	3.1
143.08556	10.7
145.10124	18.5
147.08006	1.5
147.11711	8.2
149.09637	4.4
151.11235	1.3
155.08559	4.5
157.10091	8.6
159.11700	6.5
161.13289	3.4
163.11169	2.8
165.12833	1.5
167.08536	1.6
169.10132	5.7
171.08121	1.5
171.11729	9.7
173.09766	1.5
173.13278	3.8
175.11148	1.9
175.14824	1.3
177.12730	1.2
181.10143	2.2
183.11661	5.5
184.07384	9.3
185.07660	1.5
185.13228	6.1
187.11285	1.6
187.14862	1.6
195.11728	3.3
197.13248	3.5
199.14769	2.9
201.12791	1.2
207.11818	1.3
207.13687	1.2
210.65024	1.1
211.14830	3.4
213.16426	3.3
215.14169	1.2
215.17972	1.6
217.15904	1.5
225.16391	3.4
229.15962	1.7
231.17465	2.0
239.17831	1.8
243.17474	4.2
245.18967	1.7
257.19049	4.1
269.18759	1.2
275.20087	8.3
281.17471	9.1
293.21051	1.5
319.24203	1.7
327.26608	1.9
335.22195	3.6
337.25174	10.1
349.23740	9.8
355.21973	1.3
355.26346	20.1
373.27319	3.8
391.28305	1.7
411.29025	2.1
429.29968	28.6
430.30209	2.9
445.30267	1.7
447.31070	100.0
448.31406	9.6
457.29044	1.3
537.35388	2.5
555.36865	24.8
556.37244	3.3
573.37561	4.3
603.42041	1.3
693.36621	1.3
716.45819	1.3
752.42072	6.9
753.44312	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	752.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01873	9.7
55.05517	13.5
57.03418	2.6
57.07076	2.4
64.49004	2.8
67.05505	28.7
69.03439	2.1
69.07078	14.9
69.32865	13.8
79.05499	32.3
81.03402	6.4
81.07066	32.3
83.04980	8.0
83.08605	3.3
91.05487	35.0
93.07048	31.3
95.01312	5.4
95.04962	9.6
95.08591	21.4
97.06536	18.4
102.17409	2.0
105.07031	38.0
107.04976	10.3
107.08597	10.1
109.10135	3.9
115.05486	2.4
117.07005	9.4
119.08589	24.4
121.06497	2.1
121.10165	5.7
123.08128	2.5
129.07008	5.9
131.08583	11.3
133.10118	17.8
135.11755	2.9
143.08562	4.0
145.10123	8.2
147.11726	13.5
149.09651	4.4
159.11736	7.2
161.13289	5.3
163.11197	3.4
171.11722	10.7
179.14330	5.7
184.07431	5.0
187.11217	2.9
189.12680	3.1
190.06827	2.2
193.46910	2.2
205.30339	2.0
207.13831	5.9
275.20074	47.8
279.15906	2.9
281.17468	30.7
293.21057	3.0
310.42770	2.1
315.47223	3.0
349.23730	18.9
537.36499	3.8
555.36761	100.0
556.37170	11.6
569.37537	4.2
752.42346	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	752.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.8
55.01906	3.1
55.05517	7.8
57.03448	21.0
57.07082	33.6
57.89626	3.5
65.03953	3.4
67.05511	23.3
69.07064	9.9
71.05002	3.3
71.08636	25.7
79.05496	13.5
81.03425	81.7
81.07068	19.1
83.04993	5.5
83.08624	21.3
85.10184	13.2
91.05492	11.4
95.04991	21.5
95.08612	21.9
97.10167	8.0
98.00439	2.8
98.22611	6.3
101.66773	3.1
105.07053	8.7
107.04971	5.0
109.10177	13.4
111.04462	3.6
111.08091	6.7
119.08595	8.9
119.91165	3.4
121.10184	6.5
123.11665	6.1
129.07037	8.5
131.08609	6.9
135.11728	3.6
146.93553	3.1
147.07945	3.8
147.11708	3.8
149.09666	3.2
157.10164	11.3
158.25241	3.6
175.11166	4.9
179.24144	3.4
193.12257	24.3
217.72612	3.2
228.84508	3.7
229.14444	3.7
236.28423	3.2
267.15921	94.6
268.16202	6.1
313.27350	100.0
314.27441	4.1
347.97754	3.1
431.51422	4.6
505.38895	89.6
506.39188	9.2
663.11212	3.8
752.46484	14.8
752.50793	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	754.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.8
55.01872	8.8
55.05516	23.0
57.03442	13.4
57.07066	2.0
59.05009	4.1
61.02919	2.2
65.03944	3.8
67.05508	57.9
68.05825	1.5
68.98740	4.4
68.99152	8.5
69.03434	17.7
69.07074	11.8
71.01389	2.0
71.04990	12.4
72.05784	1.9
73.02924	2.9
77.03944	1.6
79.05492	50.9
80.05850	2.8
80.06283	2.3
81.03419	100.0
81.07062	49.7
82.03774	3.4
82.07381	1.4
82.87211	1.4
83.04984	24.1
83.08626	22.7
85.02909	22.6
85.06554	5.0
91.05486	50.4
93.07046	35.4
94.04169	2.0
95.04971	35.5
95.05559	2.3
95.08607	22.9
97.02892	15.6
97.06541	12.7
97.10159	12.3
98.03674	6.7
98.07314	2.5
99.04458	6.4
99.08090	3.1
105.07037	32.4
107.04955	21.5
107.08597	18.9
109.02880	10.1
109.06525	9.3
109.10159	23.9
110.07307	3.9
111.04438	10.2
111.08077	11.6
113.06015	3.6
115.05439	2.5
115.40064	1.3
116.06269	1.6
117.07027	9.3
119.04910	1.7
119.08591	25.8
121.06523	6.5
121.10152	15.0
123.04445	3.2
123.08073	6.9
123.11724	3.1
125.05999	4.5
125.09644	11.9
127.03876	8.2
128.06184	2.3
129.05478	4.2
129.07024	12.2
130.07751	1.5
130.77528	1.7
131.04938	2.9
131.08568	19.1
133.06544	3.9
133.10139	18.1
135.04414	3.6
135.08051	3.5
135.11719	6.5
137.09633	5.0
141.07024	1.3
142.07800	2.0
143.08627	2.8
145.06604	2.2
145.10147	10.7
147.08070	5.2
147.11691	19.0
149.09647	9.4
151.07610	1.3
151.11157	2.1
151.96919	1.6
153.05441	2.7
153.09135	4.9
153.12802	4.3
155.08597	2.4
157.08827	2.9
157.10123	14.7
159.08058	1.7
159.11697	1.9
161.09630	2.4
163.11223	11.2
165.12753	3.5
171.10115	1.4
173.04474	18.1
173.09663	4.4
173.11780	7.8
175.11189	15.4
181.12297	5.4
185.09593	1.6
187.11147	2.0
189.11261	3.0
191.10660	5.5
193.12242	41.8
199.05994	7.0
209.11757	9.8
211.11261	2.2
211.13298	41.9
223.13353	2.5
224.14040	4.0
227.12764	10.2
229.14354	7.9
248.49809	1.7
249.14961	2.5
253.14355	1.9
265.14383	3.4
267.15918	37.0
268.16217	2.3
283.15552	7.8
285.16946	26.0
315.17947	2.5
337.16342	2.2
383.22131	1.9
395.12045	1.4
400.41684	1.6
417.26700	1.9
421.25897	10.6
422.26205	2.7
435.27396	8.1
439.26898	34.3
440.26862	2.7
445.20288	2.5
447.27420	4.2
457.25885	6.5
458.26135	1.6
459.27484	3.4
461.29022	9.8
463.52829	1.6
475.27020	12.6
476.27551	3.9
477.28339	2.7
493.27448	8.1
494.28815	2.1
507.29639	7.8
508.30380	1.9
511.28638	9.3
621.32196	4.1
637.31854	2.0
639.33380	4.6
655.33374	3.4
755.36554	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	754.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01884	6.6
55.05274	1.3
55.05520	16.4
57.03429	3.6
57.07079	1.1
60.35099	0.8
61.02924	3.1
67.05513	24.2
68.05839	1.0
69.00291	8.0
69.03435	3.4
69.07076	10.3
71.04997	2.5
79.05499	26.4
81.03414	5.5
81.07063	39.4
82.07409	1.4
83.04990	6.2
83.08633	8.2
85.02919	3.9
85.06544	1.2
91.03948	1.5
91.05492	18.9
93.07051	19.3
95.04984	9.6
95.08617	12.1
97.02896	2.6
97.06534	3.5
97.10172	11.1
98.23445	1.5
102.85950	0.8
103.05445	1.3
105.07034	17.0
107.04965	6.3
107.08611	14.2
109.02883	1.5
109.06527	10.2
109.10181	8.1
111.04457	3.1
111.08092	3.1
115.05496	1.1
117.07054	9.3
117.97671	0.9
119.04932	1.2
119.08595	12.6
121.06517	6.4
121.10172	7.3
123.04421	2.6
123.08070	3.5
123.11724	2.0
125.06033	1.3
125.09658	10.6
127.03922	1.0
128.06197	1.4
129.07011	5.3
131.04921	1.8
131.08580	10.3
133.06512	3.6
133.10138	11.4
135.08063	3.6
135.11678	6.8
137.05986	1.1
137.09654	1.6
143.08609	5.0
145.06487	3.9
145.10129	8.9
147.08092	3.3
147.11693	4.1
149.06009	2.0
149.09618	3.0
149.13261	1.1
151.11235	1.9
152.34976	0.9
153.06949	0.8
153.09120	2.7
153.12726	1.1
155.08568	3.6
157.10133	3.4
159.04317	1.0
159.08102	2.7
159.11731	5.3
161.06041	1.7
161.09633	3.3
161.13226	1.5
163.07542	1.4
163.11177	5.5
165.09180	1.2
167.08562	1.6
169.10133	3.4
171.08008	1.1
171.11717	3.3
173.09718	2.0
173.13280	2.6
175.11234	2.6
177.09108	2.5
181.10164	1.2
181.12279	2.5
181.39133	0.8
183.08148	1.2
183.11726	2.6
185.09634	1.3
185.13243	3.3
187.11127	2.2
187.14862	2.1
189.11266	3.5
191.10672	1.6
193.12312	3.2
197.13249	1.5
199.11366	1.7
199.14943	0.9
201.12686	2.0
203.14235	1.5
205.15906	3.5
209.13405	1.5
213.12839	1.6
215.10857	0.9
223.11270	0.8
227.12659	4.5
231.13805	1.5
233.15305	1.1
257.15341	1.9
267.16092	1.8
273.14911	1.3
275.20090	5.7
283.15555	2.8
283.24307	0.8
303.19571	1.5
313.21640	3.8
315.19586	9.2
337.21756	1.4
339.23218	1.3
349.23907	2.5
355.22784	2.7
357.24109	3.0
367.22739	2.5
375.25333	2.4
385.23727	5.6
403.24649	1.6
429.26370	2.4
431.28006	3.9
447.27515	20.1
448.28055	1.5
449.28827	1.5
459.27371	13.8
460.27728	1.7
465.29913	5.4
476.80640	0.9
477.28500	7.4
478.40262	0.9
483.31036	10.4
484.31641	1.7
501.32092	6.0
519.32526	1.1
539.33740	7.8
540.34619	1.0
557.34766	100.0
558.35175	14.2
575.35822	26.9
576.35748	3.4
585.28369	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	754.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
53.45943	1.5
55.01874	7.5
55.05516	34.5
55.82267	1.6
57.03446	21.6
57.07087	7.8
59.05017	1.9
60.08149	1.6
61.02923	8.0
61.81770	2.1
65.03939	5.3
67.05511	100.0
68.05846	1.5
69.03436	7.8
69.07075	20.8
69.59366	1.4
70.30963	1.7
71.04996	5.2
71.08645	4.7
79.05499	68.5
80.05820	1.9
81.03414	16.2
81.07062	75.5
83.05009	9.3
83.08623	16.7
85.02928	10.3
85.06547	4.1
86.09707	10.1
91.03989	3.3
91.05487	38.8
91.06015	3.0
92.05799	1.7
92.61315	1.7
93.07050	72.1
95.04980	22.1
95.08615	47.4
96.08942	1.9
97.02869	3.9
97.06539	5.2
97.10173	18.7
105.04530	1.6
105.07045	25.4
107.04971	9.1
107.08604	39.0
108.08992	1.8
109.06534	7.1
109.10165	31.8
111.08080	6.9
115.05439	2.6
117.07027	17.4
119.08593	19.6
121.06454	8.1
121.10152	24.5
123.08080	4.0
123.11717	6.6
125.00008	3.9
125.09624	13.4
129.07011	6.0
131.08578	21.4
132.08882	1.5
133.10133	14.3
135.08061	3.8
135.11707	12.5
137.09639	2.4
139.11215	2.0
141.07018	3.7
143.08562	4.9
145.10155	12.0
147.11690	10.1
149.09650	3.0
149.13264	9.5
151.11185	2.2
155.10669	2.5
156.05063	1.7
157.10144	3.6
159.11728	16.0
160.86433	1.7
161.09612	2.0
161.13277	5.6
163.11191	1.9
163.14844	1.9
169.10120	2.6
171.11775	2.9
173.11771	5.2
173.13255	6.1
174.17322	1.6
175.14836	2.1
177.12807	4.1
184.07347	27.1
187.11218	3.9
187.14821	2.9
189.11256	13.9
199.14961	1.6
205.12273	4.4
209.11697	2.8
223.13290	52.1
224.13559	2.4
227.12790	10.5
229.14421	11.8
243.21130	5.9
261.22192	14.8
262.22256	1.7
279.15909	3.0
283.15350	2.1
297.16971	84.9
298.17380	6.0
301.16486	3.8
311.23779	2.0
313.27481	14.0
317.24765	3.0
329.24612	2.8
335.25824	93.7
336.26187	7.3
447.32263	2.3
465.33405	3.2
467.36969	3.4
483.34613	2.8
489.35748	18.7
490.36096	2.4
529.38647	2.8
539.38110	5.0
557.38446	68.2
558.38525	7.6
575.39337	3.3
613.47192	3.9
650.43738	3.3
755.45367	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	754.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.05514	28.7
57.03434	13.7
67.05511	73.1
69.03452	5.2
69.07074	22.1
70.34962	6.1
70.35293	10.4
71.04997	6.0
79.05495	92.4
81.03428	16.5
81.07062	65.3
83.04990	15.7
83.08613	9.1
91.05481	100.0
91.06012	9.0
92.62106	4.9
93.07054	88.7
95.04961	20.1
95.08606	43.2
95.53483	4.4
97.06547	6.2
105.04526	5.0
105.07035	83.6
107.04944	7.4
107.08584	33.1
109.06543	7.4
109.10125	7.1
109.35087	5.4
114.58218	5.1
117.07020	26.9
119.08576	59.7
121.10135	17.7
123.08015	5.9
128.06210	5.3
129.06989	33.1
131.08571	19.5
133.10144	37.8
135.11687	11.0
143.08588	19.7
145.10159	28.2
147.11707	65.8
149.13295	5.7
157.10118	9.7
159.11670	17.6
161.13272	38.2
163.14879	5.1
171.11737	37.6
173.13196	5.6
175.14856	20.5
184.07339	5.3
185.13297	6.8
189.12746	8.3
199.14830	6.1
207.13821	26.7
213.16400	6.8
231.17484	5.2
241.19557	24.2
259.20615	56.3
279.15939	18.9
281.17542	55.4
315.23178	8.6
331.75711	5.4
333.24243	34.9
383.94589	5.7
447.32419	8.2
465.34048	7.1
514.24286	4.9
539.37488	46.2
540.37579	7.4
557.37988	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	755.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42650	0.8
55.01872	1.0
55.05511	3.1
57.03429	2.0
57.07078	1.5
59.58291	0.7
61.02925	4.6
63.02374	0.8
67.05506	5.7
69.03434	3.4
69.07069	3.2
71.05005	1.0
73.02929	3.3
79.05491	4.3
81.03419	2.6
81.07063	5.9
83.08633	2.6
85.02908	5.9
85.10163	0.9
86.09726	3.1
91.03966	2.1
91.05508	2.9
93.07063	5.5
95.08605	4.3
97.02899	5.5
97.10191	1.4
98.22575	1.5
99.08102	0.9
101.02385	1.5
103.03963	0.9
105.07039	1.7
107.04955	0.9
107.08611	3.1
109.10190	2.1
111.08080	1.0
119.08611	1.8
121.10172	2.5
125.00047	2.6
127.03954	1.7
131.08621	1.5
135.11703	1.4
184.07344	7.4
185.04256	1.2
243.08330	1.7
283.15143	4.5
311.25867	1.0
313.26819	1.0
495.29388	8.8
501.23080	5.4
521.38403	0.8
596.47498	5.6
658.47198	0.9
755.45471	100.0
756.45868	16.3
783.31848	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	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05520	14.0
55.12674	1.0
55.66238	1.0
56.73402	1.0
57.03438	9.7
59.04999	1.2
65.03944	1.3
67.05511	19.2
69.03421	3.0
69.07071	4.9
70.84590	1.6
71.04996	2.8
79.05500	22.2
81.03424	48.3
81.07061	20.1
83.04982	4.4
83.08622	11.3
85.02866	0.9
85.06528	1.3
91.05491	16.3
93.07051	14.2
95.04974	17.3
95.08613	7.9
97.02898	1.0
97.06548	3.1
97.10175	13.7
105.07035	12.1
107.04960	13.9
107.08600	11.4
108.05290	1.1
109.06521	8.8
109.10153	5.3
111.04424	1.9
111.08086	4.3
117.07018	5.4
119.04967	1.5
119.08573	11.7
121.06525	9.0
121.10149	7.3
123.04452	1.4
123.08086	4.7
123.11695	2.4
125.06025	1.4
125.09633	13.5
129.07002	7.4
131.04936	2.6
131.08598	7.0
133.06483	5.0
133.10135	4.5
135.08080	6.4
135.11752	2.5
137.09573	1.8
141.07050	1.5
143.08534	2.8
145.06448	5.6
145.10170	3.3
147.04468	1.2
147.08069	4.6
147.11699	5.8
149.09621	5.1
153.09103	2.7
153.12689	1.1
155.08577	1.6
157.10095	5.9
159.08014	1.4
159.11739	1.9
161.09688	1.7
163.11243	3.7
163.81255	1.1
164.45149	1.0
165.12785	1.5
167.10677	1.4
169.10117	1.5
171.08086	1.9
171.10231	1.3
171.11679	1.8
173.09666	2.5
173.13292	1.4
175.11163	5.9
177.12730	1.9
179.97794	1.2
181.10107	1.8
185.09669	1.2
187.11250	1.4
187.14894	1.4
189.09528	1.2
189.11243	7.0
189.12744	1.8
193.12238	15.8
195.11736	1.3
199.11246	1.5
199.13058	1.0
211.11371	1.8
211.13284	1.5
219.13747	2.3
223.13249	1.5
227.12653	2.3
233.15388	3.2
237.12781	1.6
255.13905	2.1
259.13376	1.3
267.15933	37.4
267.18805	1.9
268.16257	2.2
273.14874	5.6
293.17548	1.3
339.23254	3.2
349.21704	4.5
357.24203	2.4
367.22647	15.3
385.23727	24.0
386.24020	1.9
403.24664	9.1
441.26392	8.5
459.27451	100.0
460.27814	9.8
474.70831	1.2
477.28510	83.3
478.28799	7.9
491.29971	11.0
501.28262	2.3
509.30966	5.1
567.29425	1.6
689.56555	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	756.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.01872	5.0
55.05515	29.3
56.59423	1.2
57.03438	11.4
57.07071	2.1
59.04713	1.8
59.05003	23.3
61.02926	3.9
65.03951	3.7
67.05508	99.5
68.05836	1.8
69.03431	6.7
69.07076	12.4
69.17311	6.3
69.17726	2.2
71.04993	34.3
71.79675	1.2
72.05350	1.2
73.02917	1.4
79.05492	36.1
80.05819	1.6
80.50454	1.0
81.03423	16.0
81.07058	100.0
82.07394	4.4
83.04981	8.3
83.08628	16.4
84.08971	1.5
85.02914	7.4
85.06529	8.6
87.04475	31.0
91.03934	1.5
91.05484	35.9
93.07049	27.3
95.04970	11.3
95.08607	14.1
97.02902	4.6
97.06516	7.3
97.07066	1.4
97.10174	13.4
99.04449	13.3
99.08106	1.8
105.04544	1.6
105.07028	18.4
107.04951	5.7
107.08598	21.6
109.06501	10.1
109.10158	50.8
110.10444	1.5
111.04430	3.3
111.08091	6.3
113.05990	1.5
117.06998	8.4
119.08586	15.1
121.06497	3.7
121.10158	9.4
123.08080	3.1
123.11710	14.8
125.09642	9.1
127.03912	2.4
129.07007	2.8
131.08563	8.3
133.10139	19.5
134.10405	1.6
135.08092	2.9
135.11699	6.8
137.09590	2.7
143.08542	1.1
145.10155	5.2
147.08014	3.1
147.11691	3.2
149.09613	3.2
149.13274	6.4
151.11182	7.7
153.12729	1.5
155.10713	2.1
157.10106	3.2
159.11720	6.0
161.09618	1.4
161.13264	1.5
163.11215	5.2
169.10098	2.0
173.11748	12.1
175.11172	1.8
177.12790	3.8
183.13776	6.2
184.07251	3.1
187.13319	7.9
188.30815	1.2
191.10736	1.9
193.12317	3.9
195.13811	5.2
199.13309	3.1
201.14767	1.9
209.11667	1.8
211.11569	1.5
211.13292	6.0
213.14842	1.6
223.13312	2.1
225.14842	2.1
227.12659	5.9
229.14348	17.9
241.14360	2.7
243.15999	1.9
257.13831	2.5
257.17468	2.8
265.14450	1.7
267.15869	11.4
268.16122	1.7
269.17453	12.9
273.18570	1.5
274.18863	3.2
275.20139	2.5
276.20456	1.7
283.15573	2.2
283.18848	1.2
285.17056	5.5
286.17401	1.5
291.19470	6.7
292.19891	5.3
301.20132	14.3
315.18112	5.5
329.19528	1.5
349.23660	3.2
367.24695	11.8
397.25861	74.0
398.26273	6.0
399.27390	1.8
405.26501	1.5
411.27423	11.9
423.27332	13.2
435.27234	1.6
437.29248	6.0
443.30057	5.5
451.26981	5.0
455.30066	49.4
456.30286	4.9
463.30521	5.7
483.29620	8.4
495.33093	3.8
536.31915	1.3
541.35345	2.2
558.34869	1.9
559.35986	7.6
576.35895	2.8
653.29181	2.7
756.42218	13.5
757.39691	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.3
55.05513	28.3
55.81866	7.6
57.03439	12.0
67.05499	47.5
69.07078	27.1
77.82849	6.6
79.05486	44.7
79.48615	7.6
81.03418	48.3
81.07064	86.7
83.05004	19.4
83.08594	18.3
85.02898	13.3
86.09715	11.1
91.05476	70.5
93.07043	56.5
95.01273	7.6
95.04960	25.4
95.08614	32.3
97.06538	25.0
99.08062	11.4
105.07024	81.0
107.04974	27.9
107.08583	20.2
109.06549	16.7
109.10184	11.8
111.08105	16.0
117.06995	13.1
119.08611	41.6
121.06493	7.7
121.10163	19.3
129.06953	8.7
131.08569	29.7
133.10147	41.4
145.10179	15.3
147.11716	21.2
149.09688	8.2
153.73003	8.5
157.10155	14.2
159.11751	10.1
179.14334	9.4
184.07376	36.8
184.13217	8.0
193.12280	24.1
211.13324	28.0
257.58316	7.7
267.15909	29.8
275.20078	95.7
276.20370	12.7
285.16949	67.0
349.23773	36.7
541.35181	52.8
542.36127	8.7
559.36523	100.0
615.91852	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01878	5.4
55.05515	26.4
57.03438	8.8
57.07082	1.8
61.02934	2.4
63.65598	1.4
67.05508	50.1
69.03423	7.1
69.07072	27.8
71.04998	5.3
79.05492	39.8
81.03412	8.4
81.07059	67.4
82.07399	2.7
83.04968	8.0
83.08625	18.9
85.02901	3.4
85.06541	2.9
90.17043	1.5
91.05486	33.7
93.07050	33.7
95.04985	11.3
95.08606	20.0
96.65778	1.4
97.02917	7.6
97.06529	8.0
97.10172	10.8
99.08089	1.6
105.07037	24.3
107.04967	6.0
107.08596	24.0
109.06550	7.0
109.10168	9.2
109.63033	1.4
111.08090	5.8
117.07004	11.9
119.08587	15.2
121.06500	3.6
121.10142	12.5
123.08039	4.2
123.11691	5.1
125.06039	1.5
125.09649	8.3
129.07048	5.0
131.08572	14.5
133.06470	1.6
133.10126	26.2
133.11066	2.1
135.08078	3.5
135.11690	8.5
137.09604	3.3
141.06982	1.8
143.08583	3.8
145.10124	7.6
147.08069	4.7
147.11720	6.4
149.09651	4.5
149.13280	10.1
151.11215	3.8
157.10120	3.4
159.11732	6.6
161.09628	3.9
163.11232	2.3
165.09212	2.3
169.10086	1.4
171.11732	2.8
175.11140	1.7
177.12817	5.2
184.07420	7.8
185.13223	1.7
189.11157	2.9
192.60793	1.4
195.13803	10.8
223.13229	16.0
227.12801	6.8
245.19159	1.9
249.14934	2.2
253.14368	16.5
255.17694	1.5
267.15866	2.9
269.17474	50.5
270.17825	4.4
273.18524	14.8
275.20129	4.2
291.19543	91.5
292.19864	5.2
347.22244	4.2
349.23752	3.1
365.23245	37.1
366.23550	3.4
461.28583	1.8
465.28668	2.5
479.29883	3.3
527.33722	4.1
541.35138	5.7
559.36310	100.0
560.36743	15.2
577.37250	2.0
720.65497	1.9
757.41156	6.5
784.02173	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	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01874	8.2
55.05241	1.3
55.05510	20.9
57.03436	8.8
57.07072	3.2
59.05014	1.3
61.02919	4.1
62.99297	1.1
65.03935	4.7
67.05506	70.6
68.05829	1.4
68.80010	0.9
69.03416	4.6
69.07073	21.8
69.43324	4.6
71.04980	5.5
72.74764	0.9
73.02922	1.1
73.24426	1.0
79.05494	51.1
80.05796	1.2
81.03429	10.8
81.07058	92.4
82.07398	1.7
83.04990	9.4
83.08616	13.4
83.18413	1.1
85.02908	4.1
85.06550	6.4
91.05482	60.3
93.07043	49.1
95.04966	12.4
95.08049	1.7
95.08608	22.0
95.31012	1.0
97.02876	2.5
97.06532	8.8
97.10184	1.2
99.04488	2.4
99.08109	1.7
103.05495	1.6
103.39257	1.0
105.04556	1.1
105.07029	39.3
107.04967	6.8
107.08595	42.9
108.08965	1.9
109.06525	8.0
109.10159	43.9
111.08110	5.2
113.06019	2.7
115.05481	1.7
117.07019	11.9
119.05013	1.3
119.08577	11.2
121.06483	5.9
121.10120	10.6
123.04408	1.1
123.08079	2.7
123.11714	10.4
125.09603	1.8
127.07534	2.0
129.07024	3.7
131.08565	12.2
133.06511	3.7
133.10132	56.7
134.10458	1.5
135.08083	6.7
135.11682	7.5
137.09663	1.4
143.08548	3.1
145.10115	6.3
147.08124	2.2
147.11690	4.5
149.09583	5.2
149.13243	8.2
151.11179	23.1
152.11554	1.6
157.10115	2.8
158.60696	1.2
159.08047	1.1
159.11671	8.3
161.09648	6.4
161.13266	1.1
163.11192	1.5
165.09119	1.2
165.12698	1.2
169.12239	4.1
171.11703	2.5
175.11198	3.3
177.09056	2.2
177.12804	2.0
179.10703	1.8
189.12712	1.2
193.12276	1.9
195.13779	8.5
213.14880	2.6
215.12729	2.5
245.18979	2.9
251.12852	2.8
253.14346	100.0
254.14627	7.1
255.17470	1.5
263.20026	3.2
267.15915	6.4
269.17490	44.5
269.20401	2.3
270.17807	3.5
273.18509	17.3
274.18829	1.4
275.20044	1.6
291.19553	17.7
293.21130	1.6
309.20642	1.2
315.19266	1.1
347.22046	7.8
349.23721	1.1
365.23267	24.2
366.23331	1.7
367.24710	2.5
392.89160	1.2
447.27484	3.2
463.27017	2.0
465.28424	20.6
479.30017	1.8
511.54364	1.2
541.35205	8.9
542.35303	2.4
559.36261	59.5
560.36688	7.5
757.41284	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	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69216	1.2
53.00304	4.0
53.03942	6.2
55.01867	4.0
55.05515	31.1
57.03438	16.2
57.07084	2.6
59.05011	1.6
59.13842	1.0
61.02931	5.2
65.03940	3.4
67.05508	68.6
68.05824	1.4
69.03419	4.5
69.07070	16.8
70.21442	2.4
71.01331	1.7
71.04991	2.8
73.02917	2.3
79.05495	50.7
80.05808	1.4
81.03007	1.4
81.03426	8.4
81.07056	73.1
82.07390	2.3
83.04987	5.1
83.08622	18.5
85.02911	4.8
85.06562	4.2
86.09697	2.1
90.73569	1.2
91.03964	2.6
91.04902	2.1
91.05482	53.7
93.07045	58.1
94.07370	1.9
95.04959	10.3
95.08613	42.4
96.08944	2.0
97.02906	8.0
97.06529	7.4
97.10181	4.0
99.00817	17.4
99.04473	1.4
99.08106	2.7
102.09904	1.3
103.05497	1.8
105.04554	1.5
105.07030	35.1
107.04953	11.1
107.08603	28.9
109.02884	15.4
109.06528	5.3
109.10161	20.2
111.04459	1.6
111.08087	7.5
115.03949	3.8
115.05462	1.9
117.07034	12.2
119.08587	23.9
121.06542	6.4
121.10148	24.5
123.04459	3.1
123.08045	1.7
123.11720	7.6
125.00015	1.6
127.03904	3.4
128.06238	2.1
129.07014	4.2
131.08568	13.5
133.06487	3.3
133.10132	49.3
134.10522	1.5
135.08087	2.9
135.11694	15.8
137.06001	1.7
137.09596	2.3
137.13219	1.6
139.07545	3.2
143.08556	6.8
145.10117	10.3
147.08125	1.9
147.11688	9.9
149.09637	5.1
149.13258	8.6
151.07521	1.6
151.10059	1.7
151.11174	12.8
157.10150	1.2
159.11653	6.3
161.09624	20.6
161.13277	4.3
163.11157	3.6
163.14832	3.4
165.09219	1.9
165.12778	2.1
171.08086	5.9
173.13274	4.7
174.13860	1.2
175.11330	1.7
175.14812	2.0
179.10698	11.8
179.14241	1.2
181.12209	1.4
184.07375	6.8
187.14796	4.4
189.09088	9.6
193.12262	1.5
197.11728	3.3
207.10190	3.6
209.13301	1.4
225.11221	16.7
227.12799	2.1
233.22742	1.5
243.12364	3.3
243.21100	6.6
261.22110	19.4
262.22589	1.4
267.16058	1.9
275.20126	4.0
277.21622	2.2
281.13885	7.1
299.14902	83.3
300.15256	4.8
315.23294	1.9
317.24707	3.5
330.03421	1.5
333.24323	2.0
335.25797	100.0
336.26202	7.6
349.23755	1.6
421.31229	1.4
431.29169	1.3
449.30139	2.2
467.31613	5.0
485.32468	2.6
513.35876	2.4
523.33844	2.3
531.36804	1.8
541.35217	14.3
542.35236	3.1
559.27771	2.5
559.36279	51.9
560.36652	8.6
757.40967	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	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01866	2.6
55.05508	16.0
57.03435	15.5
57.07077	1.8
61.02924	3.8
65.03934	5.2
67.05508	75.2
67.36419	1.5
68.05837	1.3
69.03423	2.2
69.07071	15.0
71.04986	3.1
71.08626	2.5
77.88286	1.4
79.05497	42.6
81.03421	11.7
81.07060	55.0
83.04984	4.1
83.08617	9.5
85.02902	5.2
85.06534	3.7
86.09708	5.1
91.05483	91.4
92.05798	1.4
93.07042	41.3
95.04967	11.3
95.08607	37.1
97.02892	3.9
97.06540	3.7
97.10139	2.6
103.03966	1.7
105.07034	47.1
106.07344	2.3
107.04969	2.9
107.08597	24.0
109.06516	3.3
109.10154	18.7
111.04440	2.0
111.08057	2.3
117.07014	10.6
119.08581	30.1
121.10143	23.6
123.08071	1.8
123.11711	6.5
124.99990	2.6
125.09586	2.3
128.06235	3.2
128.89264	1.5
129.07016	3.1
131.08557	11.3
133.10127	90.9
134.10449	3.3
135.08051	2.1
135.11696	14.0
137.09657	1.7
137.13274	1.6
143.08557	6.6
145.10136	7.7
147.11717	6.1
148.61490	1.6
149.09615	6.8
149.13260	6.5
151.11172	18.9
157.10136	2.3
159.11725	4.6
161.09605	22.1
161.13266	5.9
163.11214	2.9
163.14841	2.5
173.13309	6.2
175.11095	2.0
175.14796	1.7
179.10670	14.4
184.07349	14.1
187.14815	2.4
189.12715	1.5
193.12248	5.4
197.11687	3.1
211.13284	6.1
228.13203	1.4
243.21094	6.2
251.12688	2.0
253.14287	10.1
261.22165	21.2
267.15860	8.4
268.16528	1.6
283.15240	1.6
285.17062	9.0
297.13232	3.0
299.14896	93.6
300.15292	4.0
314.27737	1.6
317.24713	4.8
335.25793	100.0
336.25995	9.4
411.32474	1.6
420.54697	1.7
421.30920	2.8
451.44470	1.7
513.35693	8.6
527.36981	2.3
531.36847	1.6
545.38422	11.9
559.36267	34.5
560.36505	3.9
577.36975	2.7
654.13849	1.5
756.45123	4.3
757.40894	6.3
758.85291	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	756.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.05511	0.6
56.05035	0.6
56.60188	0.2
57.07063	0.3
58.06618	0.3
59.11866	0.2
59.39098	0.2
60.08168	6.4
60.43319	0.2
62.90186	0.2
67.05505	1.0
69.07078	0.6
71.07377	3.9
71.08635	0.3
71.28680	0.3
79.05503	0.8
81.03411	0.4
81.07063	1.0
83.08630	0.4
86.09710	29.1
87.10066	0.4
91.05488	0.8
92.04265	0.2
93.07061	0.8
95.08608	0.9
97.10149	0.2
98.98468	3.1
104.10752	2.3
105.07018	0.4
107.04955	0.3
107.08591	0.4
109.10163	0.4
110.11704	0.2
116.92127	0.2
117.07024	0.3
119.08560	0.4
121.10184	0.4
125.00010	19.6
130.07376	0.2
131.08569	0.4
133.10112	0.4
137.94212	0.2
147.11809	0.4
171.43279	0.2
184.07350	100.0
185.07729	1.4
232.02808	0.2
262.34903	0.3
267.16010	0.2
273.18491	0.3
313.27200	0.2
335.25735	0.7
367.65921	0.2
403.77994	0.2
411.63278	0.2
570.71277	0.2
584.43201	0.3
585.44708	0.6
756.55798	1.4
757.56000	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	757.412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01874	1.0
55.05518	2.4
57.03437	1.4
58.64975	0.4
61.02935	3.8
65.03938	0.5
67.05509	6.6
69.03418	2.2
69.07066	3.2
69.22340	1.6
69.22742	0.9
71.08641	0.6
72.17393	0.3
73.02921	2.2
77.03924	0.4
79.05492	6.3
81.03436	2.0
81.07060	7.2
83.04982	1.6
83.08620	1.4
85.02902	3.2
86.09722	1.4
91.03963	1.6
91.05476	6.6
93.07046	6.1
95.01345	0.5
95.04990	2.0
95.08598	3.7
97.02892	3.0
97.06543	1.4
97.10178	0.5
99.04542	0.4
99.05334	0.4
99.08099	0.6
101.02388	1.3
105.07027	6.3
105.07671	0.5
107.04973	1.7
107.08569	2.4
109.02898	0.5
109.06535	1.2
109.10163	1.1
111.08100	0.8
117.07055	1.4
119.08581	4.0
121.06554	0.8
121.10181	1.5
123.08122	0.7
125.00019	1.1
125.09698	0.6
127.03972	0.5
129.07072	1.1
131.08580	1.5
133.10132	2.9
135.11694	1.0
143.08601	0.8
145.10161	2.2
147.11673	2.3
149.02383	0.6
149.09666	1.0
158.54529	0.4
159.11676	0.7
161.13303	1.2
163.11218	0.8
171.11719	1.6
177.12898	0.5
179.14378	1.1
184.07384	3.2
185.04391	0.5
209.11841	0.5
227.12836	0.4
241.19614	0.4
243.08363	2.0
247.13058	0.9
261.22141	0.4
275.20166	1.4
283.15308	0.4
291.19748	0.5
293.21133	0.8
315.19257	2.6
335.26059	0.5
349.23813	0.5
371.22040	0.5
465.21002	8.8
465.27252	0.7
466.21426	1.1
533.27155	7.2
543.36865	0.4
585.87048	0.4
641.44196	1.1
659.45068	0.8
757.41296	100.0
758.41626	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	757.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01877	1.9
55.05517	3.9
57.03441	2.0
57.07110	0.9
58.30374	0.6
61.02925	3.7
67.05508	11.5
69.03423	3.1
69.04372	4.3
69.04784	0.9
69.07074	5.6
71.05003	0.9
73.02922	3.0
79.05494	13.2
79.05910	1.0
81.03415	3.8
81.07057	16.1
82.07385	0.7
83.04998	2.3
83.08634	2.6
85.02921	4.4
85.06573	0.7
86.09728	0.6
91.03976	1.9
91.05479	8.9
92.05809	0.8
93.07058	10.5
95.04993	2.8
95.08617	6.6
97.02905	3.3
97.06551	2.5
97.10214	0.8
98.98476	1.4
101.02390	1.1
105.07037	9.4
105.07671	0.8
107.04946	3.0
107.08602	6.0
109.06540	1.4
109.10146	3.9
111.04449	1.4
111.08121	0.9
115.51273	0.7
117.07021	2.8
119.08553	5.0
119.76581	0.6
121.06525	1.1
121.10138	5.0
123.08092	1.4
123.11761	0.8
125.00031	1.2
127.03976	1.3
129.07060	1.9
131.08591	3.7
133.10156	5.4
135.08092	1.3
135.11691	2.8
137.09642	0.7
143.08612	0.9
145.10101	3.0
147.08134	1.0
147.11681	3.8
149.02414	1.1
149.09663	1.4
149.13307	1.0
151.11302	0.8
157.10123	0.8
159.11728	2.4
161.13234	1.1
163.11249	1.7
171.11783	1.8
177.12775	0.9
179.14375	1.6
184.07314	3.8
189.12958	0.7
195.13765	0.8
243.08522	2.2
247.13283	0.8
253.14345	3.6
254.14873	1.6
268.80762	0.6
269.17465	2.9
275.20087	3.2
277.21686	0.9
283.15530	0.8
287.86432	0.6
291.19669	1.7
292.20029	0.8
293.21161	1.5
301.16599	1.5
312.32471	1.3
315.19235	4.2
316.19745	0.7
335.25940	1.7
339.73212	0.6
349.23593	1.4
371.21936	1.4
383.45969	0.8
446.39999	0.7
465.21042	9.8
465.27460	0.7
533.27197	6.1
543.36829	1.8
559.36920	1.0
560.36646	3.3
561.37891	1.7
641.44281	2.1
659.45331	1.4
672.23920	0.7
757.41321	100.0
758.41797	16.8
775.00958	0.6
778.74799	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	757.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01879	7.5
55.05515	27.5
57.03442	2.7
57.07084	8.2
60.08138	0.9
64.14175	0.7
67.05509	21.7
68.96559	3.2
68.96992	3.6
69.07072	20.7
71.04981	2.2
71.07379	1.3
71.08631	3.1
79.05496	20.2
81.03423	2.3
81.07064	60.9
82.07429	1.7
83.04977	2.2
83.08623	21.0
85.10178	1.7
86.09701	7.1
91.05485	15.6
93.07051	16.5
95.05001	4.6
95.08613	12.9
97.06554	3.4
97.10181	7.8
98.98510	5.0
99.08132	1.5
103.05494	1.0
105.07040	12.2
107.04951	5.3
107.08610	9.0
109.06525	18.7
109.10161	3.8
111.08096	1.4
111.11731	1.9
115.05488	1.0
117.07035	3.8
119.08592	11.3
119.39262	0.8
121.06493	1.9
121.10147	8.6
123.08079	3.5
123.11721	2.7
124.99966	4.6
125.09685	1.1
129.07033	1.8
131.08578	4.3
133.10132	7.5
135.08025	1.8
135.11659	4.4
137.09624	1.9
137.13283	1.1
143.08607	1.1
145.10136	4.7
147.11684	5.5
149.09618	3.3
149.13272	5.0
151.11137	1.3
155.01015	2.4
157.10146	1.4
159.11725	3.4
161.13283	1.6
163.11295	1.7
163.14809	2.3
165.12839	1.6
171.11723	1.2
173.09700	0.8
173.13245	1.4
175.11172	1.5
177.12704	1.9
184.07356	25.6
185.07776	2.0
185.13191	1.1
187.14857	1.2
193.12213	1.5
195.29472	0.7
197.13370	0.9
206.76927	0.8
229.19592	1.4
237.22180	5.8
247.20590	2.2
257.19016	1.6
275.20062	29.5
276.20465	1.2
293.21033	3.1
311.25833	6.7
313.27316	1.4
349.23776	3.1
503.37338	0.9
585.45135	100.0
586.45532	17.3
596.90637	0.9
641.38165	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	757.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01867	0.6
55.05507	2.4
57.03446	1.7
57.07074	2.4
59.04988	0.6
60.08174	0.8
60.17519	0.3
61.02934	3.8
62.54752	0.3
62.88131	0.4
67.05511	3.8
69.03436	2.5
69.07069	2.2
71.05009	1.7
71.07388	0.7
71.08636	1.4
73.02925	2.5
79.05493	3.7
81.03434	2.6
81.07063	5.7
83.04987	0.8
83.08633	1.5
85.02913	3.8
85.06538	0.7
85.10201	0.7
86.09721	3.9
87.04491	0.5
91.03964	1.8
91.05487	3.5
93.07061	2.6
95.04976	1.3
95.08624	3.7
97.02901	3.2
97.10162	0.9
97.90285	0.4
98.98496	0.8
99.04486	0.8
101.02411	1.5
103.03967	0.4
105.07065	1.8
107.08620	1.4
109.02946	0.9
109.06527	0.4
109.10192	1.4
111.08147	0.4
115.03964	0.4
117.07035	0.9
119.08612	1.6
121.10182	1.8
123.11732	0.6
124.99987	2.1
127.03966	1.4
127.62436	0.4
129.07034	0.8
131.08621	1.3
133.10156	1.5
135.11748	0.5
147.11736	1.1
149.09642	1.3
151.11226	0.7
157.10143	0.4
159.11778	0.6
161.13408	0.4
184.07346	13.4
185.04156	0.5
185.07729	1.3
193.12291	1.3
222.29402	0.4
243.08353	1.9
267.15918	0.7
275.20108	0.9
283.15189	3.0
286.12680	0.4
301.20224	0.6
313.27240	0.7
335.26099	1.1
339.17896	0.4
388.44949	0.4
497.30942	5.1
498.31348	0.7
501.23041	10.6
503.37323	2.9
561.41418	2.5
585.45135	2.3
595.85376	0.5
678.18451	0.4
688.92963	0.5
757.47015	100.0
758.47382	17.1
779.92670	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	757.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01872	0.6
55.05511	1.8
57.03434	1.5
57.07078	3.9
59.04992	0.6
60.08175	0.5
61.02929	3.7
67.05511	5.6
69.01605	2.6
69.02019	0.9
69.03423	2.8
69.07071	1.6
71.04990	1.7
71.08635	3.1
71.60444	0.4
73.02925	3.7
79.05499	3.2
81.03426	3.1
81.07058	7.1
83.04999	0.7
83.08610	2.0
85.02908	4.5
85.06525	0.6
85.10201	1.4
86.09713	2.2
91.03962	2.5
91.05481	3.5
92.39002	0.4
93.07044	3.3
95.04992	1.1
95.08613	4.4
95.49044	0.4
97.02895	4.1
97.06548	0.7
97.10145	0.9
99.04495	0.5
101.02378	1.0
105.07030	1.9
107.08646	2.0
109.02872	0.6
109.10175	1.8
112.26950	0.4
119.08616	1.3
120.02184	0.4
121.10159	1.8
123.11711	1.3
125.00056	1.4
127.03917	1.4
131.08601	1.1
133.10168	1.9
135.11732	0.6
147.11708	0.7
149.09660	1.1
151.11163	0.5
157.10068	0.7
175.11304	0.8
184.07333	7.1
185.04153	0.7
185.07770	0.5
193.12294	1.1
225.14943	0.4
227.87775	0.4
243.08463	2.3
245.62831	0.4
254.15611	0.4
267.16254	0.5
269.17441	0.7
275.20218	0.7
283.15161	3.9
301.20209	1.3
313.27573	0.8
335.25793	1.0
339.00760	0.4
339.17877	0.6
466.95056	0.5
497.30780	5.8
498.30322	0.5
501.23120	9.0
502.23624	1.0
503.37225	4.1
561.41681	3.4
585.45190	1.7
595.41913	0.7
757.46997	100.0
758.47333	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	758.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.91407	0.7
67.07629	0.7
69.08148	4.8
73.57262	0.7
79.05460	0.8
81.03420	1.2
93.07074	1.1
98.22540	1.2
121.06516	1.7
137.06000	1.4
149.06093	0.7
153.01901	1.8
167.05611	1.4
177.05455	2.2
184.07304	0.9
185.05757	0.8
205.04732	90.9
206.05148	2.8
218.05615	3.3
232.07144	2.3
348.12140	3.3
415.13776	1.8
429.15320	2.3
475.27594	1.2
493.28387	1.4
537.13678	1.0
555.14771	11.9
561.19476	8.9
562.20166	1.3
705.35126	1.0
758.27820	100.0
759.21307	16.0
759.28699	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	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01875	5.8
55.05516	34.3
57.03432	10.5
57.07084	2.2
61.02923	2.4
65.03940	2.1
67.05505	58.0
69.03430	3.2
69.07072	22.0
71.04995	7.0
79.05491	47.8
81.03426	6.1
81.07058	72.3
81.77622	1.3
83.04992	11.5
83.08620	34.0
85.02921	3.3
85.06554	5.6
91.05482	29.4
91.06014	2.3
93.07045	55.0
95.04367	2.8
95.04969	50.6
95.08610	26.8
97.06528	10.2
97.10176	10.4
99.04456	5.1
99.08115	3.1
103.05440	1.7
105.04498	2.2
105.07032	28.1
107.04967	11.1
107.08593	44.5
108.08989	1.5
109.06515	9.7
109.10162	10.7
111.04431	6.5
111.08078	7.8
117.07024	13.5
119.08582	19.6
121.06541	7.0
121.10145	23.7
123.08096	3.9
123.11700	4.9
125.00050	1.9
125.05951	1.9
125.09616	8.0
129.06995	2.7
131.08568	18.9
133.10146	18.5
135.08101	6.4
135.11694	16.4
137.09711	3.4
139.11215	1.9
143.08546	2.3
145.06483	1.7
145.10104	16.5
147.08041	4.4
147.11705	11.8
149.09630	19.8
149.13260	20.9
151.11172	1.9
153.12837	1.8
155.08585	2.8
157.10139	3.3
159.08029	2.0
159.11691	19.0
161.13315	3.8
163.11197	21.9
165.12785	3.5
167.10687	1.7
169.10115	2.4
171.11662	2.7
173.13310	4.7
175.11232	2.7
177.12766	7.0
184.07310	9.1
189.11296	6.6
191.10670	1.8
191.14348	1.6
193.12262	2.0
195.12169	1.5
195.13783	8.8
197.13326	1.9
201.12833	1.8
203.21669	1.6
205.12189	2.0
223.13284	30.1
227.12704	1.7
229.19591	2.8
236.85374	1.4
239.17970	3.6
243.20456	1.6
247.20703	1.9
257.19107	7.8
269.17462	85.0
270.17780	3.7
275.20068	51.4
275.23019	3.1
276.20410	3.5
293.17990	2.8
293.21118	32.7
311.22128	1.7
341.24164	1.5
349.23724	28.0
349.27902	2.3
350.23779	2.0
367.24747	33.6
368.25186	3.0
446.89954	1.6
463.30487	4.4
525.35364	1.9
543.36743	48.5
544.37170	6.1
551.21057	1.6
561.37885	100.0
562.38031	11.5
758.45087	2.0
778.23901	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
54.71153	2.8
55.01866	8.6
55.05516	27.4
57.03441	14.8
65.03944	6.2
67.05508	81.6
69.07069	31.0
70.05135	2.5
71.04987	4.8
71.07376	2.8
73.02892	3.0
79.05496	61.8
81.03428	10.7
81.07062	100.0
83.04981	13.5
83.08626	22.8
85.02894	4.8
85.06569	4.2
85.10146	2.5
86.09707	8.8
91.05467	42.3
93.07045	74.8
95.04982	17.8
95.08614	29.4
97.06513	17.8
97.10149	4.9
99.08090	5.1
105.07036	31.1
107.04929	5.8
107.08595	36.8
109.06509	7.2
109.10172	11.3
111.04352	3.7
111.08064	9.7
117.07020	18.2
119.08591	20.6
121.06526	4.7
121.10163	21.8
124.99987	8.2
125.09633	5.7
127.03891	2.8
129.07013	4.4
131.08548	25.8
132.08873	2.7
133.10127	21.9
135.07996	5.6
135.11694	11.1
137.09486	3.2
138.34451	3.0
143.08604	3.8
143.49985	2.6
145.10161	8.7
147.11639	9.4
149.09566	14.5
149.13257	23.0
151.11192	4.2
155.08575	2.5
157.10098	3.0
158.90437	2.4
159.11691	16.8
159.13925	2.7
161.13213	3.1
163.11223	10.0
165.12672	3.3
169.10199	3.5
171.11682	3.7
173.13293	5.2
173.37524	2.6
177.12721	8.7
184.07352	32.5
185.64427	2.5
189.11263	4.6
193.12332	3.1
195.13814	10.6
211.13222	4.7
227.12885	3.3
255.15884	5.0
257.18979	7.1
269.17484	76.5
270.17862	6.5
275.20126	27.3
277.21585	5.5
285.16852	3.3
291.19604	2.7
293.21042	7.1
349.23834	14.9
350.24307	3.1
351.25668	2.8
367.24698	5.7
449.29153	18.2
463.30576	60.2
463.36993	2.1
464.30865	6.8
503.33734	3.4
517.35413	2.8
543.36713	33.7
544.36816	3.3
561.37994	27.3
562.38763	3.2
642.44580	2.9
671.92993	3.3
758.41406	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
53.46485	1.7
53.78416	1.8
55.01871	4.4
55.05513	15.7
57.03448	11.4
62.94051	1.8
65.03922	2.4
67.05508	53.4
67.22639	1.6
69.07065	17.2
71.04986	3.6
79.05496	36.5
80.05866	1.8
81.03399	2.7
81.07059	100.0
82.07394	2.5
82.74183	1.8
83.04968	7.2
83.08622	17.2
85.02889	2.4
85.06526	4.6
86.09703	5.9
90.56527	1.7
91.05473	28.7
93.07043	47.1
95.04993	9.4
95.08614	23.1
97.06519	9.7
97.10146	2.6
99.08082	4.5
105.07035	24.4
107.04964	8.6
107.08609	24.2
109.06532	18.2
109.10167	10.4
111.08084	4.3
117.07002	8.9
119.08588	14.6
121.06512	4.6
121.10130	16.5
123.08048	5.6
123.11666	5.5
125.00021	3.4
129.06876	2.2
131.08583	10.9
133.10139	14.1
135.11693	8.8
145.10115	5.8
147.11678	13.4
149.09613	6.4
149.13312	17.2
151.11186	2.8
157.10114	5.2
158.08696	1.7
159.11661	12.3
161.13280	2.4
163.11200	5.4
165.12714	3.9
171.11691	2.1
173.13223	2.3
177.12755	5.1
179.14262	1.8
184.07358	21.2
193.12292	3.1
195.13786	6.5
235.17506	2.0
241.57541	2.1
247.20541	3.1
257.18988	3.4
267.15842	2.9
267.69943	1.9
269.17468	76.3
270.17941	4.0
275.20065	42.5
276.20416	2.1
293.21115	7.8
297.21536	1.9
339.48828	2.4
349.23764	25.1
350.24133	2.7
367.24829	16.9
463.30780	5.4
464.37039	2.0
539.32080	2.5
543.36823	81.6
544.36975	8.4
561.37860	55.3
562.38007	7.1
701.36713	8.1
759.39124	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
53.03947	4.1
55.01873	3.8
55.05514	18.3
56.42066	1.0
57.03440	8.7
57.07065	2.0
61.02927	3.2
65.03934	3.7
67.05505	56.2
69.03358	8.4
69.03770	3.2
69.07071	24.6
71.04987	5.2
79.05497	44.9
80.05843	1.1
81.03409	5.0
81.07059	100.0
82.07394	1.7
83.04964	6.3
83.08626	16.8
85.02908	3.2
85.06547	5.4
91.04901	1.5
91.05483	36.7
93.07045	47.1
94.07391	1.5
95.04971	11.4
95.08607	26.3
97.02929	1.8
97.06518	9.7
97.10164	2.8
99.08088	3.1
100.47387	1.3
105.07026	26.7
107.04970	8.3
107.08601	27.4
109.06524	21.6
109.10162	7.8
111.08084	5.1
113.09676	1.3
117.07038	10.3
119.08575	17.6
121.06521	4.8
121.10152	15.2
123.08054	6.3
123.11714	8.3
129.07014	2.8
131.08562	15.0
133.10143	21.3
133.11095	2.3
135.08055	4.0
135.11707	13.0
137.09624	2.9
141.06923	1.6
143.08527	2.8
144.09424	1.4
145.10103	9.4
147.07985	1.4
147.11687	15.6
149.09627	7.2
149.13246	12.5
151.11200	3.1
157.10149	4.5
159.11690	11.2
161.09651	1.6
161.13283	2.7
163.11194	5.3
165.12779	5.1
167.14333	1.4
169.10158	1.5
171.11714	2.4
173.13289	4.5
175.11237	2.2
175.14967	1.3
177.12747	5.1
179.14194	1.5
183.11633	1.6
193.12195	1.9
195.13771	9.9
197.13339	1.8
226.35236	1.2
229.19601	2.5
235.46040	1.3
236.04024	1.1
247.20630	2.6
257.19037	3.3
259.17380	1.0
261.13953	1.0
263.16415	1.3
267.16028	3.3
269.17465	67.9
270.17859	3.7
274.86624	1.2
275.20074	44.6
276.20496	2.4
280.46973	1.2
293.21158	8.6
349.23730	28.5
350.24158	2.4
367.24799	21.7
368.25211	3.1
451.32224	2.7
469.33249	2.4
474.21414	1.2
504.35287	1.4
525.35651	2.5
540.95032	1.2
543.36804	72.5
544.37305	10.1
561.37872	55.8
562.38318	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	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01875	7.1
55.05515	22.8
57.03446	13.7
57.07084	3.0
61.02937	3.2
65.03942	4.2
67.05510	76.4
68.05836	1.8
69.03443	6.1
69.07075	27.5
69.65002	1.3
71.05007	5.4
73.02921	2.5
79.05108	1.3
79.05495	58.0
81.03432	13.0
81.07061	100.0
82.07394	1.6
83.04985	10.2
83.08627	20.6
85.02917	4.7
85.06519	3.3
91.05484	42.1
93.07047	69.4
94.07417	2.3
95.04981	11.8
95.08615	28.3
97.02916	3.1
97.06539	15.3
97.10175	3.0
98.23360	4.5
99.04492	1.4
99.08111	2.8
103.96746	1.3
105.04513	3.4
105.07037	29.9
105.07753	1.6
106.54783	1.3
107.04943	4.8
107.08601	39.2
108.08945	1.9
109.06519	12.3
109.10165	9.1
111.08073	8.3
111.11801	1.2
117.07024	18.5
119.08586	18.7
121.06510	6.0
121.10143	20.4
123.08083	6.3
123.11683	7.0
125.00008	1.7
125.09699	2.5
129.07027	5.3
131.08551	21.1
133.10127	23.4
133.11046	2.2
134.10429	1.5
135.08066	6.0
135.11690	15.8
137.09657	2.1
143.08583	2.6
144.09225	1.7
145.10135	12.5
147.08083	1.5
147.11656	9.6
149.09583	8.4
149.13245	19.4
149.14301	1.4
151.11211	3.8
155.08543	1.7
157.10136	4.8
159.11696	12.0
160.12184	1.5
161.13306	2.5
163.11205	7.4
171.11708	3.0
173.04526	1.3
173.09654	1.6
173.13300	4.6
175.11220	1.8
177.12781	7.2
179.14357	2.0
183.11670	2.5
184.07368	4.7
185.13135	1.5
192.05405	1.5
195.13788	17.2
197.13228	1.8
213.14955	3.8
227.12817	3.2
229.19383	2.0
239.17993	1.3
251.16574	3.1
255.15947	3.5
257.19034	6.1
267.15958	3.8
269.17477	81.5
270.17871	5.5
275.20068	28.3
276.20474	2.0
293.21118	5.0
333.24680	1.4
349.23727	20.1
350.23956	2.5
367.24817	7.0
384.29550	1.5
449.29047	17.5
450.29239	1.9
463.30591	56.0
464.31067	5.2
465.19788	1.6
525.35986	2.3
543.36896	41.8
544.36804	4.4
561.37775	19.8
562.38159	1.9
601.96753	1.6
607.33850	2.7
676.24377	1.4
759.38953	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
53.20192	2.3
55.01875	5.6
55.05516	20.0
57.03444	13.3
60.08154	8.0
61.02927	8.7
61.33350	2.1
65.03940	2.7
67.05508	76.3
69.07081	17.5
69.52837	13.6
71.05003	6.6
79.05498	49.5
79.72671	2.2
80.26047	2.1
81.03404	6.6
81.07063	62.8
83.04984	11.5
83.08622	13.9
85.02901	7.9
85.06543	4.1
86.09709	24.9
87.07607	2.1
91.05478	41.3
93.07048	62.0
95.04973	16.4
95.08611	37.2
97.02893	7.8
97.06538	8.5
97.10172	6.2
98.98477	2.2
105.07037	35.7
107.04974	12.7
107.08604	31.5
109.06493	4.3
109.10159	30.1
111.04443	7.6
111.08088	5.5
113.05991	2.4
117.07008	18.1
119.08591	32.9
121.06506	5.0
121.10157	24.5
123.08092	4.3
123.11703	8.2
125.00009	17.0
125.09622	2.4
128.06236	3.0
129.06993	8.1
131.08559	20.9
133.06442	3.8
133.10149	28.1
135.08060	7.1
135.11714	27.1
137.09663	4.0
143.08548	7.5
145.06467	3.9
145.10126	20.6
147.08072	3.0
147.11687	14.3
149.09648	8.5
149.13261	6.6
151.11192	3.6
157.10130	7.6
159.07941	3.0
159.11714	12.7
161.09663	3.9
161.13280	8.8
163.11220	11.3
163.14825	3.9
167.05611	3.6
169.10179	4.3
171.11731	5.0
173.09628	8.7
173.11800	4.9
173.13297	9.5
175.11180	4.5
175.14786	3.0
181.12189	4.0
183.11716	3.9
184.07359	97.4
185.07735	3.5
185.13266	4.0
187.14803	3.7
191.10736	5.9
191.14314	2.1
199.14793	3.4
206.82080	2.2
209.11696	16.8
227.12741	9.1
227.16333	4.5
229.14330	5.7
235.16922	2.3
255.15950	6.6
259.20285	3.4
261.22156	7.0
265.35168	2.5
267.15891	3.3
273.21957	5.8
275.20258	3.5
277.21701	4.4
283.15427	69.8
284.15805	4.6
299.06232	2.9
299.20282	3.6
301.16260	5.6
301.21558	3.9
315.23343	11.6
317.21225	3.8
317.24771	3.1
329.25061	2.8
333.24316	3.8
335.25854	36.2
336.26111	3.8
373.23703	7.6
389.27026	3.6
391.24771	2.8
423.32932	3.2
433.30908	10.3
451.32419	14.0
469.33112	12.0
487.34140	6.2
507.34396	3.9
515.36823	4.2
525.35956	26.9
526.35895	3.7
543.36816	100.0
544.37183	15.3
561.37915	32.1
562.38025	3.2
728.07593	3.1
758.41608	8.6
759.43005	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
53.48310	2.8
55.01868	14.3
55.05513	35.8
57.03450	17.7
57.07074	6.0
61.02911	4.5
65.03948	4.9
65.48038	3.7
67.05509	96.2
69.03431	6.3
69.07072	32.1
71.05010	5.7
71.08633	3.0
71.30999	3.9
73.04725	3.3
77.03909	2.9
79.05495	86.6
80.05825	3.4
80.67899	3.1
81.03426	17.4
81.07064	100.0
83.04999	23.3
83.08614	21.4
85.02912	10.7
85.06542	8.9
86.09691	15.2
91.05476	61.0
91.06010	4.5
93.07050	82.0
95.04977	20.5
95.08608	65.0
97.02903	11.4
97.06551	12.5
97.10165	7.6
98.98452	6.1
99.08099	5.5
103.05452	3.1
105.07035	35.2
107.04961	19.5
107.08603	51.6
109.06525	12.2
109.10165	38.8
111.04460	14.1
111.08091	11.3
113.09660	8.1
117.07026	23.8
119.08592	40.8
121.06540	5.6
121.10146	36.2
123.08092	8.5
123.11688	4.9
125.00031	7.9
125.09650	7.2
129.07007	10.8
131.08580	25.5
133.10100	24.0
135.08069	4.8
135.11711	35.1
137.09633	3.8
143.08604	5.8
145.10153	31.7
147.08093	5.7
147.11743	13.3
149.09630	12.4
149.13269	10.8
151.11172	5.6
153.12747	10.4
155.08551	7.3
157.10149	6.6
159.11697	15.9
161.09666	4.5
161.13335	6.0
163.11183	28.5
165.12747	4.2
171.11618	3.8
173.09660	10.7
173.11800	3.8
173.13239	7.2
175.14877	5.1
177.12766	4.0
179.14328	5.2
179.98210	5.3
181.12242	7.6
184.07347	43.9
185.13351	4.5
191.10686	10.8
209.11784	28.8
227.12825	13.5
243.21141	3.3
254.37401	3.6
261.22147	11.7
267.08917	5.1
273.22076	4.7
275.20081	12.7
277.21680	11.3
283.15414	48.1
289.21472	4.7
293.21173	8.5
295.22668	8.8
299.06171	5.0
301.16434	40.8
302.16965	3.9
315.22958	3.9
333.24268	4.2
335.25818	67.8
336.26260	5.5
349.23572	3.5
369.26062	5.2
433.30716	4.7
451.32135	8.3
469.33582	5.8
487.34509	3.7
525.35956	14.8
543.36865	56.8
544.37286	6.7
561.38019	39.5
562.38391	7.4
617.39862	3.6
625.44293	8.6
643.45490	8.1
654.38696	3.7
660.45203	3.7
661.46710	11.6
708.36224	5.0
758.41321	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.1
55.01875	11.7
55.05515	36.2
57.03437	14.5
57.07065	9.3
58.33637	3.5
61.02914	5.5
62.08392	3.8
65.03947	6.0
66.19250	4.1
67.05507	100.0
69.03428	10.2
69.07074	31.9
71.04980	5.8
79.05073	6.3
79.05496	73.8
81.03419	14.8
81.07065	82.7
81.34386	4.3
83.04977	12.2
83.08612	20.1
85.02911	8.4
85.06548	9.5
86.09711	18.0
91.05461	63.7
91.24349	3.9
93.07043	76.6
95.04448	3.8
95.04984	17.1
95.08609	63.9
97.02905	12.3
97.06515	11.9
97.10165	10.2
98.70785	4.2
98.98474	4.6
99.04496	5.5
105.07035	45.1
107.04961	20.9
107.08590	46.8
109.06518	11.7
109.10162	37.0
111.04441	7.5
111.08064	9.6
113.06004	4.1
117.07027	15.9
119.08600	40.1
121.06559	5.1
121.10144	32.1
123.08035	6.3
123.11723	7.7
125.00013	11.4
125.09631	6.3
128.06210	5.1
129.06984	12.8
131.08530	23.3
133.06540	4.2
133.10127	38.1
135.11702	24.1
137.09566	5.8
143.08586	12.7
145.06425	4.9
145.10109	30.7
147.08031	6.2
147.11707	18.3
149.09636	14.5
149.13272	12.1
151.11212	9.2
154.80643	4.9
155.08517	4.6
157.10078	9.0
159.11694	14.5
161.09602	5.1
161.13290	6.4
163.11226	15.3
165.12724	8.1
169.10072	4.6
171.11664	9.9
173.09659	8.6
173.11615	4.5
173.13174	8.1
181.12244	4.2
183.11783	6.2
183.22841	3.6
184.07358	42.9
185.13245	7.9
187.14793	4.9
189.11232	5.1
189.12968	4.1
193.12302	4.9
209.11682	11.1
221.13281	5.0
227.12698	6.5
227.16383	9.3
228.90097	6.7
229.14388	8.2
255.16031	5.2
257.19080	5.5
261.22137	9.2
273.22122	6.6
275.20032	14.7
277.21655	16.9
283.15381	48.6
289.21729	6.0
295.22687	5.1
299.19846	4.4
301.16425	9.6
315.23093	6.7
335.25809	19.5
336.26028	5.6
349.23877	7.5
373.23764	6.0
433.30969	5.7
451.32004	17.5
469.33115	11.7
487.34366	8.4
525.35724	25.9
543.36853	86.1
544.36877	6.5
561.37708	33.2
588.40979	3.9
605.33197	4.2
625.44537	10.2
643.45319	13.9
660.45532	4.6
661.46021	12.6
759.39032	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	758.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.05513	18.4
57.03433	7.9
57.07066	2.7
58.52279	1.7
61.02920	4.0
61.46916	1.7
65.03951	3.5
67.05506	71.1
68.84240	1.7
69.03430	3.3
69.07075	12.1
71.04996	24.1
79.05495	39.8
81.03421	3.2
81.07059	100.0
82.07404	2.4
83.04987	4.1
83.08611	9.6
85.02914	2.3
85.06549	10.0
86.09695	13.0
91.05480	30.9
93.07054	39.0
95.04982	4.0
95.08609	31.6
97.02880	3.0
97.06544	5.0
97.10136	2.6
98.98513	2.1
99.08089	3.0
104.10780	2.6
105.07038	16.2
107.08604	21.8
109.06506	2.5
109.10147	16.5
117.07001	6.0
119.07774	1.6
119.08604	8.0
121.10136	17.2
123.11695	18.3
124.99965	10.6
131.08588	9.7
131.77393	1.8
133.10130	23.0
135.11690	7.9
145.10126	5.2
147.11653	5.5
149.13278	6.5
151.11172	6.6
159.11674	7.5
161.13232	3.6
163.14813	2.2
169.12231	2.2
173.13356	3.3
177.12708	3.2
183.13815	4.5
184.07352	47.6
185.07726	2.5
187.13289	3.3
187.14833	2.9
196.68080	1.8
243.15825	2.3
257.17401	3.1
261.22079	3.0
269.17456	7.4
292.37787	2.0
301.20090	17.7
335.21829	2.5
335.25815	33.0
413.17899	2.2
485.36298	3.2
503.37317	94.5
504.37778	11.1
517.39124	4.5
529.38983	12.1
561.41492	91.4
562.41797	9.4
669.41754	10.3
758.41956	4.4
759.43188	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	758.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00339	0.8
53.03945	3.5
53.31571	0.9
55.01872	1.6
55.05514	16.3
56.48434	0.8
57.03441	7.4
57.07079	2.3
59.05001	2.2
61.02925	3.8
65.03944	3.6
65.80508	0.8
67.05506	72.3
68.99507	2.8
68.99923	4.2
69.03440	3.0
69.07068	12.6
70.90145	1.0
71.04601	1.5
71.04993	24.2
79.05493	38.5
81.07056	100.0
82.07408	1.9
83.05000	4.0
83.08617	6.7
85.02913	2.8
85.06543	5.9
91.03957	1.1
91.05484	30.5
93.07048	43.2
95.04976	2.7
95.08607	31.0
97.02887	1.1
97.06521	4.7
97.10167	2.6
99.08136	1.1
105.04536	1.0
105.07027	18.8
107.07862	1.4
107.08596	23.3
109.06551	2.1
109.10149	13.2
111.08070	1.5
117.07016	4.2
119.08582	7.6
121.10139	17.4
121.11005	1.0
123.11710	11.8
123.16076	0.8
125.09633	1.0
131.08549	8.2
133.10130	16.7
135.11700	9.1
143.08534	1.2
145.10147	5.0
147.11725	3.9
149.13258	6.5
151.11192	6.0
152.16472	0.8
153.12706	1.3
157.10118	1.0
159.11688	6.2
161.13315	3.2
163.14813	1.6
169.12285	1.3
171.11922	0.8
173.13274	1.9
175.14882	1.3
177.12773	1.6
183.13824	2.3
185.13313	1.2
187.13382	4.1
187.14841	1.5
195.13831	2.0
227.16458	2.6
257.17410	2.1
261.22168	2.3
269.17365	4.1
301.20084	17.7
302.20291	1.8
315.02673	0.9
335.25763	21.7
336.26010	1.2
411.32556	1.0
437.33948	1.1
485.36267	2.3
494.38168	1.1
503.37323	72.7
504.37753	9.8
517.38837	4.8
529.38739	9.5
561.41516	65.5
562.41815	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	758.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05029	0.9
57.07090	0.2
58.06626	0.4
59.07397	0.2
60.08167	6.7
62.93293	0.1
67.05512	0.4
70.06568	0.2
71.07375	3.6
71.08629	0.2
73.04749	0.1
79.05497	0.3
80.97408	0.1
81.07059	0.4
86.09708	33.9
87.10033	0.5
91.05823	0.2
95.08626	0.2
98.98463	4.1
104.10753	2.2
109.10123	0.1
118.92792	0.1
125.00008	23.5
126.00336	0.1
143.01050	0.2
155.62843	0.1
164.03616	0.1
166.02652	0.2
167.05569	0.1
184.07347	100.0
185.07698	1.9
219.13460	0.1
225.04396	0.1
262.25296	0.2
277.82550	0.1
299.06100	0.4
322.27316	0.1
332.78046	0.1
449.12866	0.1
583.12292	0.1
758.57068	1.6
759.56464	0.3
770.52802	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	759.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
57.03449	3.7
61.02931	7.7
67.05515	6.9
69.03418	5.6
69.07074	2.4
71.05007	2.9
71.27938	1.1
73.02950	4.4
79.05489	5.6
81.03424	7.2
81.07060	7.1
83.01117	1.6
85.02919	7.0
85.18704	1.2
87.04475	1.6
89.61691	1.2
91.03967	3.5
91.05511	4.5
93.07068	3.8
95.01109	1.3
95.04992	3.3
95.08656	2.1
97.02920	4.9
99.04488	1.3
99.90857	1.1
101.02342	1.3
104.90755	1.1
105.07074	3.8
107.08603	1.9
109.10185	1.9
111.04478	1.8
111.08093	1.5
117.05550	1.2
119.08649	4.2
120.37321	1.0
121.06537	1.2
121.10188	2.5
127.03968	3.4
129.05580	2.4
129.07059	1.1
131.08572	2.3
133.10205	2.1
147.08044	1.4
147.11736	1.7
149.09660	1.9
152.55182	1.1
157.10182	2.1
163.11267	2.1
175.11229	1.1
181.04825	2.3
184.07396	1.6
185.04214	6.3
193.12387	1.6
199.05869	1.9
199.13275	1.3
201.03760	1.4
203.05309	1.7
215.88252	1.2
243.08429	6.0
251.12665	3.1
265.14261	2.6
277.14224	3.1
297.70862	1.4
301.08990	17.9
309.17068	1.3
315.10645	3.4
341.12216	1.5
349.16302	2.1
367.17459	2.7
369.15433	1.7
371.17068	1.6
373.11075	8.8
383.16864	3.6
385.18338	11.2
387.12894	1.6
395.16833	2.7
413.17941	1.5
429.17871	2.1
433.25793	2.6
439.19333	1.9
443.18976	6.6
444.19595	1.4
457.20767	2.1
469.20432	17.9
470.20914	2.6
479.26291	2.0
483.22275	2.5
485.20215	4.5
499.21292	7.0
501.23132	1.8
511.21579	2.8
513.23151	1.5
527.21027	2.0
527.28461	2.5
528.21948	9.0
541.22546	7.7
569.26727	2.6
583.31097	2.6
597.29163	1.4
611.30573	5.0
612.31104	8.7
613.31744	1.4
641.32281	1.5
655.27637	5.2
711.35730	4.1
724.03937	1.5
727.35004	3.8
741.36975	5.2
759.37683	100.0
760.37964	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	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01869	0.8
55.05518	2.8
57.03433	2.9
57.07102	0.6
60.08194	0.5
60.52196	0.4
61.02932	4.5
62.00682	0.4
62.40987	0.4
65.03953	0.7
67.05506	9.7
69.03429	2.5
69.05334	3.9
69.07059	2.8
71.01360	0.3
71.05007	0.9
71.07356	0.4
73.02925	3.5
76.89830	0.4
79.05498	8.6
81.03423	6.1
81.07059	8.9
83.04996	1.1
83.08631	1.9
85.02911	4.5
85.06572	0.4
86.09713	1.6
87.04446	0.4
87.36807	0.4
91.03952	2.7
91.05480	7.3
93.07045	9.7
95.04982	2.3
95.08605	6.0
97.02892	3.9
97.06525	0.7
97.10193	0.8
98.98437	0.5
99.04446	0.7
101.02404	2.0
105.07040	6.1
107.04959	1.2
107.08592	4.3
109.02917	1.1
109.06517	0.9
109.10172	2.1
111.04488	0.7
111.08118	0.7
117.07030	1.6
119.08578	3.8
121.10155	3.1
123.08086	0.6
123.11703	0.9
125.00050	1.1
125.09689	0.5
127.03912	1.5
129.05553	0.5
129.06990	2.3
130.72540	0.4
131.08591	2.2
133.10139	3.2
135.11711	1.2
138.47084	0.4
143.08559	0.8
145.10173	1.6
147.11655	2.8
149.09593	0.9
149.13345	0.5
157.10156	0.5
159.11708	0.8
161.13319	1.3
163.11234	0.5
165.12746	0.5
171.11804	1.7
173.13255	0.7
184.07359	5.7
185.04253	0.8
185.13179	0.7
189.12671	0.5
193.12314	0.8
201.03848	0.5
203.05309	0.6
227.12914	0.7
243.08443	3.2
243.21227	0.5
247.13129	1.4
259.20718	0.5
261.22202	1.0
267.15894	3.9
283.15524	0.5
293.21194	0.6
301.09070	1.4
315.10614	0.5
317.21066	0.6
333.24121	0.5
335.25870	5.0
336.26178	0.7
369.15475	0.6
432.16882	0.4
453.33701	0.4
465.20981	10.3
466.21350	0.6
495.21915	1.1
525.27448	0.4
527.37189	2.4
535.28693	6.5
536.29095	1.0
537.23053	1.7
545.38525	1.8
562.38092	0.5
569.38654	0.7
592.56403	0.5
597.37708	0.4
689.34930	0.6
742.03662	0.5
759.42847	100.0
760.43201	16.0
760.53790	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	760.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01876	10.3
55.05513	31.2
56.05847	1.3
57.03439	19.7
57.07066	1.9
60.08144	1.7
61.02929	2.8
65.03942	3.4
67.05504	64.1
69.03430	4.7
69.06725	2.2
69.07070	25.3
69.29980	1.2
69.98070	3.0
69.98459	2.5
71.01355	3.6
71.04995	5.5
71.07352	1.6
79.05493	60.9
81.03424	11.8
81.07056	88.1
82.07362	1.6
83.04977	17.3
83.08622	16.5
85.02895	5.6
85.06544	3.6
86.09712	9.9
91.04000	1.6
91.05482	41.5
93.07043	63.4
94.07377	2.3
95.04975	19.3
95.08607	21.3
97.02893	2.5
97.06533	14.3
97.10170	27.1
97.99571	1.3
98.22701	1.7
98.98488	1.6
99.04443	2.9
99.08102	3.1
105.04501	1.6
105.07028	23.6
107.04951	13.0
107.08596	43.9
109.06506	13.0
109.10147	15.0
111.04484	8.7
111.08102	7.2
115.05454	1.9
117.07013	17.1
119.08578	28.5
121.06499	8.2
121.10129	15.1
123.08064	18.8
123.11707	1.6
125.00014	6.1
125.06024	1.7
125.09617	20.9
125.94197	1.2
128.06219	2.7
129.06989	7.2
130.07761	1.9
131.08554	12.2
133.06503	4.7
133.10123	19.8
135.08054	5.6
135.11696	49.8
136.12091	1.7
137.09583	6.1
141.06958	1.9
142.07806	1.6
143.08589	8.4
145.10114	23.0
147.08035	10.0
147.11664	8.5
149.09630	10.6
149.13268	3.0
151.11171	1.9
153.09126	4.1
153.12747	7.0
155.08525	2.6
157.10141	5.8
159.07991	2.2
159.11731	5.2
161.09618	11.3
161.13252	2.5
163.11180	19.8
165.09103	2.6
165.12767	1.6
171.10199	1.7
171.11691	4.4
173.09659	3.0
173.13214	1.4
175.11243	4.5
177.12842	2.1
179.10739	2.3
181.12221	17.9
184.07349	32.6
187.11183	1.9
189.11188	13.6
191.10681	4.2
191.14247	1.4
193.12297	3.3
199.13257	2.1
209.11612	1.5
223.13187	5.9
227.12733	16.5
227.17908	2.5
233.15233	1.6
245.19011	4.4
253.14459	2.6
255.15891	100.0
256.16266	4.8
263.20004	1.7
267.16071	1.4
271.15393	8.6
273.18506	33.2
274.18900	1.7
275.20038	5.8
283.15329	3.8
291.19540	57.7
292.19952	4.3
293.20984	2.1
309.20563	5.2
329.20862	1.5
347.22122	9.1
349.23682	2.7
365.23218	30.0
366.23477	2.6
367.24902	1.8
383.24298	8.4
419.27829	3.5
425.25256	9.0
433.43030	1.4
453.30090	1.6
463.26874	1.7
465.28616	2.4
471.31671	1.4
481.27914	4.4
509.31976	1.6
527.33746	18.7
528.33923	2.6
545.34717	82.4
546.34924	11.3
563.35669	32.5
564.36249	4.1
760.43152	1.5
761.39246	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	760.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01864	0.4
55.05513	2.2
56.05023	1.0
57.03440	1.4
58.06614	0.6
60.07886	0.5
60.08166	6.0
65.03928	0.6
67.05509	6.5
69.03432	0.4
69.07074	1.6
69.14880	1.2
69.15295	0.9
71.04972	0.3
71.07378	3.3
79.05501	5.0
81.03423	8.3
81.07060	7.3
83.04983	1.0
83.08639	2.2
85.02880	0.4
86.09710	31.2
87.10040	0.4
91.05479	3.7
93.07048	5.6
95.04971	3.0
95.08054	0.5
95.08609	4.8
97.06531	0.7
97.10159	0.8
98.98470	4.0
102.18452	0.3
104.10757	2.4
105.07029	3.1
107.04944	0.5
107.08601	2.5
109.06516	0.5
109.10154	2.0
111.08107	0.6
115.05507	0.3
117.07005	1.1
119.08578	2.3
121.10151	3.1
123.08025	0.4
123.11704	0.7
125.00011	22.9
125.09646	0.5
129.07030	1.3
131.08568	1.7
133.10153	1.6
135.11682	1.1
137.09633	0.4
143.01004	0.5
145.10147	1.0
147.08029	0.3
147.11699	1.4
149.13228	0.6
157.10193	0.8
159.11716	0.7
161.13202	0.3
165.12724	0.3
173.13269	0.4
175.11214	0.8
184.07352	100.0
185.07756	1.6
189.54362	0.3
193.12282	1.8
205.12286	0.3
213.89037	0.3
215.07004	0.3
227.12787	0.7
243.21135	0.6
261.22214	1.8
267.15930	8.9
267.18829	0.6
268.16272	0.5
301.25235	0.4
317.24579	0.3
335.21854	0.6
335.25793	6.0
336.26163	0.5
389.81754	0.3
435.32376	0.6
453.33798	0.7
466.15378	0.4
471.34665	0.3
510.19699	0.3
527.37286	4.4
528.37903	0.7
545.38312	3.1
546.38348	0.4
614.23187	0.3
682.89545	0.3
710.44055	4.3
711.44403	0.7
741.10028	0.3
760.43457	1.3
761.40332	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	760.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01879	3.2
55.05515	18.7
56.12378	1.5
57.03440	14.7
57.07079	3.2
60.08170	4.7
61.02932	4.1
65.03938	3.7
67.05508	55.0
68.05846	2.8
69.03108	7.2
69.03511	7.5
69.07072	16.7
71.05010	3.0
71.07377	3.4
73.02925	3.2
79.05499	49.0
80.05851	2.5
81.03423	60.4
81.07059	61.2
83.04987	6.3
83.08622	15.8
85.02916	7.8
85.06530	2.4
86.09709	23.2
89.83585	1.6
91.03989	2.4
91.05484	34.7
92.05795	1.6
93.07047	41.2
94.07420	2.2
95.04977	26.1
95.08612	42.4
97.02921	5.6
97.06553	5.3
97.10179	4.8
98.98471	2.7
101.04408	1.5
104.10722	2.0
105.07034	30.7
106.07343	1.7
107.04979	6.2
107.07912	1.5
107.08601	27.1
107.09290	2.2
108.14637	1.6
109.06536	4.3
109.10165	18.5
111.08104	5.3
115.05484	2.0
117.07053	8.8
119.08581	25.7
119.09348	2.1
120.08894	2.0
121.06524	2.8
121.10149	24.0
121.10997	1.5
123.08113	2.4
123.11739	5.6
125.00018	17.3
125.09684	4.3
127.03909	1.6
129.07016	8.7
131.08572	17.9
131.78079	1.6
133.06494	2.5
133.10121	16.6
135.08061	2.1
135.11699	12.7
137.09607	1.7
139.11246	1.8
142.07814	2.1
143.08568	2.6
145.10168	7.0
147.08049	2.8
147.11700	15.9
147.12604	1.6
149.09647	5.1
149.13310	7.3
157.10100	9.4
159.11668	7.3
159.31859	1.8
161.13321	6.5
163.11215	3.5
163.14838	1.8
165.12758	2.1
171.11699	3.7
173.13319	5.0
175.11150	8.4
175.14888	3.3
184.07350	81.4
185.04301	1.5
185.13348	1.8
187.14897	2.3
189.11310	2.4
193.12247	16.5
201.16412	2.4
227.12834	6.0
229.14282	2.1
235.13286	2.5
243.21213	3.2
259.20612	2.7
261.22220	14.3
265.14221	1.5
267.15912	72.1
268.16324	4.6
285.16986	3.9
301.25226	4.2
307.22720	1.5
317.24878	2.3
335.21786	3.8
335.25809	65.9
336.26230	4.7
435.32938	3.3
453.33771	5.5
465.21082	3.1
466.21542	5.0
471.34875	3.2
527.37299	38.3
528.37866	5.2
536.29272	4.3
545.38330	36.1
546.38837	3.1
563.39032	4.0
569.38519	4.0
710.43323	2.1
760.43237	100.0
761.41406	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	760.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.7
56.05043	1.3
57.07077	2.3
60.04515	3.3
60.08160	6.0
67.05511	5.6
69.07069	7.8
70.51384	1.3
71.07366	3.6
71.08657	1.2
79.05489	4.5
81.07063	5.4
83.08634	5.7
86.09711	30.6
87.10033	2.8
91.05479	2.6
93.07064	6.9
95.08610	4.8
97.10170	5.3
98.22635	2.4
98.98478	3.4
105.07018	1.5
107.08614	3.2
115.71632	1.2
119.08595	3.0
121.10145	2.5
125.00013	19.4
125.00863	1.7
126.00338	1.3
133.10176	1.7
135.11702	1.8
184.07352	100.0
185.07704	12.0
186.07805	3.8
221.56912	1.2
240.69609	1.3
273.09689	1.3
280.26529	2.2
307.44531	1.2
335.77032	1.2
424.57465	1.3
449.66870	1.2
571.47192	26.1
572.47351	3.8
580.52802	5.2
589.48022	1.7
760.57642	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	760.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01888	1.8
55.05516	15.7
57.03434	6.5
57.07072	3.5
61.02943	2.2
67.05509	71.0
69.07072	16.9
69.31104	8.6
71.04996	22.3
71.08635	1.9
79.05495	23.5
81.03424	2.3
81.07059	100.0
82.07377	1.7
83.04983	4.8
83.08630	13.3
85.02905	1.5
85.06535	7.9
86.09711	8.0
91.05476	22.0
93.07038	24.2
95.04994	1.9
95.08613	33.0
97.06544	6.2
97.10168	6.6
98.22620	2.9
98.98479	2.6
99.08082	2.3
105.07030	10.7
107.08598	13.0
109.06528	1.7
109.10160	17.5
111.08129	3.2
117.07062	2.4
119.08604	3.8
121.10188	7.4
121.33093	1.3
122.63523	1.2
123.11716	14.4
125.00026	6.8
125.09631	1.7
131.08585	2.6
133.10135	14.2
135.06354	1.4
135.11731	7.0
137.13278	2.2
147.11789	1.4
149.13295	5.6
151.11208	4.9
153.12718	1.4
159.11707	3.3
161.13211	2.1
163.14929	1.8
169.12282	1.6
175.11346	1.6
175.14813	1.5
176.29283	1.3
177.12778	1.7
183.13855	1.9
184.07378	21.5
185.07745	2.8
187.13292	2.1
227.16595	2.6
257.17410	2.3
263.23770	1.5
267.15985	2.2
269.17514	3.7
301.20105	12.0
337.27341	17.0
459.87122	1.4
487.38348	2.0
505.38864	68.7
506.39026	7.0
519.40234	4.6
531.40625	11.0
563.43054	51.2
564.43262	7.1
571.47302	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.1
55.74869	1.8
57.07079	32.1
67.05510	5.5
69.07067	7.3
71.08639	31.6
73.02927	2.6
73.06564	7.9
79.05488	2.9
81.03423	3.8
81.07060	7.0
83.08626	7.4
83.56077	2.0
85.10183	20.3
86.09718	9.1
87.04485	10.6
89.06037	100.0
90.06404	2.2
95.08601	3.0
97.10179	5.3
99.11745	2.8
107.07072	2.4
109.10177	2.5
111.11707	3.3
117.09129	10.6
125.00004	6.3
125.13329	2.3
127.14816	3.9
130.08617	3.7
131.07063	2.3
133.08614	45.1
161.70650	2.2
177.11221	20.9
184.07347	39.1
185.07716	3.6
197.22701	3.9
207.40926	2.2
221.13754	2.8
267.15872	4.3
285.27856	4.0
304.20700	2.0
329.30533	3.3
339.29303	2.9
406.11938	1.9
475.07611	2.0
531.40387	3.4
608.69775	2.3
760.47119	2.7
760.86761	2.1
776.32288	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	761.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.48563	0.3
54.79992	0.3
55.01865	1.2
65.03975	0.4
66.44814	0.3
67.05502	1.2
68.99763	0.3
70.06595	0.5
71.29095	0.3
77.03913	1.6
79.01845	1.3
81.03423	0.7
86.09705	0.4
88.11398	0.3
93.92442	0.3
94.60033	0.3
95.04982	2.0
97.02883	0.3
105.03392	2.8
105.04492	0.7
107.01299	0.4
113.18004	0.3
119.04936	0.5
121.02856	0.4
123.04434	100.0
124.04774	2.7
131.16612	0.3
135.00784	0.5
135.04430	0.9
137.02339	0.5
139.03926	0.8
143.03426	0.9
147.04387	1.6
149.02316	0.4
151.03889	0.3
153.01839	11.0
153.02953	0.8
163.03917	0.9
165.01837	1.8
165.05482	0.7
165.06857	0.4
173.05946	0.5
177.01854	4.2
183.02902	1.1
189.05428	0.5
190.02605	0.6
191.03427	1.1
195.02937	0.4
203.03381	0.8
212.25345	0.3
219.02922	1.0
221.05966	1.0
229.05139	0.3
237.05495	0.4
241.01381	0.4
247.02353	2.9
249.05525	2.0
257.00955	0.7
259.03976	0.3
265.05008	0.4
267.03000	0.4
275.01788	3.6
277.04953	2.3
279.02982	1.7
283.02435	1.0
291.02768	0.4
293.03326	0.9
293.03998	0.9
295.02362	0.6
297.00461	0.5
299.01920	1.5
299.05545	2.2
305.04333	2.1
307.02405	1.2
309.04102	0.4
311.01901	0.9
315.01410	0.7
317.06808	0.6
321.04022	0.9
323.01831	2.9
325.03464	0.4
325.07108	0.5
331.02417	0.8
333.03885	3.0
335.01947	0.5
337.03357	0.9
339.01309	0.8
341.03482	0.3
347.01804	0.7
349.03473	2.8
351.01324	3.6
352.01785	0.6
353.03210	0.4
359.01846	0.7
361.03430	13.3
362.03738	0.9
363.01477	1.0
365.02979	1.0
376.02005	0.6
377.02951	4.0
389.02780	3.1
393.02444	3.9
394.63730	0.3
405.02411	9.3
406.02643	1.1
411.03543	1.2
415.00836	2.2
421.01889	2.2
423.03513	1.5
433.01910	25.8
434.02032	2.2
435.03745	0.4
439.02881	3.0
440.03311	0.4
445.01953	0.6
451.02988	19.3
452.03375	1.4
457.04175	2.0
463.03323	0.9
469.04034	1.0
481.04794	0.6
527.06104	1.1
537.04700	0.9
545.06995	0.7
555.05542	7.5
556.05792	0.8
573.06506	2.6
591.07727	1.7
629.04480	0.5
675.29504	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	761.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01878	1.6
55.05542	0.4
65.03938	2.0
67.01835	0.4
67.05502	1.8
68.99791	5.6
69.03429	0.4
70.87837	0.6
77.03934	1.6
79.05487	0.8
83.01316	0.5
83.04984	1.3
84.69427	0.3
89.03931	1.1
91.05484	1.2
91.08110	0.4
93.03400	0.9
95.04971	1.6
97.02888	0.5
103.05478	0.6
105.03386	1.8
107.04971	1.3
109.02878	0.6
111.00805	4.6
111.04456	3.8
115.05438	1.0
117.03387	0.9
119.04939	1.3
121.02867	1.5
123.04430	75.1
124.04751	2.0
125.02352	0.8
127.03934	2.6
127.90641	0.4
129.07063	0.4
131.04890	1.1
133.02856	0.7
133.06490	0.6
135.04411	5.8
137.02336	1.5
139.03900	100.0
140.04269	1.8
145.02899	0.6
145.06480	0.8
147.04405	10.7
148.04799	0.5
149.02327	1.9
149.05960	1.2
150.03181	0.7
151.03900	13.2
152.01089	0.9
153.01833	8.1
153.02974	0.8
159.04410	0.9
161.06061	1.0
163.03922	8.3
163.07544	2.0
164.04567	0.4
165.01851	1.6
165.05467	0.9
167.03433	1.3
171.04390	1.2
173.02417	0.4
173.05952	0.7
175.03896	1.7
177.01895	0.9
177.05460	2.8
178.02580	0.7
179.03403	4.1
181.01253	0.4
181.04951	0.9
181.06419	0.8
185.06023	0.7
187.03885	2.1
189.01842	0.7
189.05444	3.5
191.03400	5.0
193.01317	0.7
193.04979	0.7
197.05962	0.8
199.03918	1.6
199.07536	0.5
201.01802	0.8
201.05461	1.7
203.03375	4.3
204.03998	0.5
205.01428	0.8
205.04945	4.0
209.05981	0.6
213.05460	1.6
215.03363	2.2
216.04234	0.6
217.01375	0.7
217.04979	1.5
219.02960	2.3
221.00806	0.8
223.02278	0.5
225.05562	0.6
227.03419	1.2
227.06963	0.8
229.04926	2.1
231.02950	1.5
233.04372	2.0
237.05502	1.0
239.01831	1.6
241.04909	0.7
243.02895	1.0
243.06514	0.4
245.04471	3.0
247.02327	1.9
255.02803	0.6
255.06535	1.1
257.00888	0.5
257.04407	3.3
258.05316	0.7
259.02478	0.6
259.06012	0.5
261.03806	2.6
263.05417	0.7
269.04404	1.4
270.05368	0.4
271.06046	1.4
273.00256	1.1
273.04480	1.0
273.07562	17.2
274.04700	0.5
274.07852	0.8
275.01981	1.0
275.05453	2.1
279.06711	0.7
281.04309	0.6
283.02618	0.5
283.05914	0.5
285.03915	1.6
285.07504	1.3
286.04678	0.8
287.01828	2.3
287.05469	3.5
289.03732	2.5
289.06784	2.4
293.02896	0.7
295.06009	1.2
297.03989	3.1
297.10864	0.4
298.04565	0.9
299.05396	2.3
301.03375	0.8
301.07071	0.9
303.01401	0.6
305.02811	4.3
307.05914	0.6
311.05469	0.6
313.06909	0.7
315.04962	0.4
321.03348	0.7
323.05508	1.6
325.03281	0.5
325.06946	1.4
327.04800	0.7
329.02896	3.7
335.05484	1.0
347.03784	2.0
351.04916	1.4
353.06366	0.9
363.04984	1.6
369.06107	1.0
369.31638	0.4
379.04361	1.6
381.06015	1.6
389.06769	0.6
391.04214	0.5
397.05347	1.2
403.04745	0.5
407.03146	0.8
407.08047	4.4
408.08356	0.6
409.05487	1.4
419.03415	0.5
420.08563	0.9
425.03806	3.7
425.08932	2.9
435.03268	1.1
437.04596	0.9
443.05930	1.0
449.08856	0.6
453.04462	5.7
455.06036	3.4
471.05588	4.7
487.10251	0.7
555.05280	1.1
573.06561	1.8
587.07782	0.5
591.07831	3.1
599.08032	0.8
605.08746	0.5
617.08960	1.6
689.09503	0.6
707.09888	0.9
725.11133	4.5
726.12091	1.0
743.12311	2.4
761.13574	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	761.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01881	0.8
55.05519	2.3
57.03441	0.8
57.07080	1.0
61.02921	1.6
65.29591	0.6
67.05518	5.6
69.03452	1.0
69.05378	1.7
69.05796	2.7
69.07085	1.6
71.08646	0.9
73.60461	0.6
79.05491	3.9
81.03434	1.7
81.07069	6.6
81.89874	0.6
83.04987	1.2
83.08618	1.3
83.55433	0.7
85.02927	1.0
85.10204	1.0
86.09721	2.4
91.03958	0.6
91.05483	3.8
93.07050	5.1
95.05006	1.5
95.08611	4.7
97.02887	1.1
97.06560	0.8
98.71581	0.6
98.98529	0.7
101.02374	0.6
105.07027	3.1
107.04965	1.2
107.08607	3.4
109.10208	1.7
111.08114	1.1
113.09671	0.7
117.07011	0.6
119.08596	1.9
121.10180	2.3
122.79008	0.6
123.11784	1.0
125.00009	1.0
131.08595	1.3
133.10181	2.5
135.11723	1.0
144.19577	0.6
145.10127	1.0
147.11740	1.2
149.13173	0.9
161.13390	1.0
163.11176	0.8
165.12781	1.3
175.11238	0.8
184.07379	6.2
195.07164	0.7
257.20279	0.6
265.08441	0.8
277.21652	4.4
295.22586	2.9
351.25439	1.6
519.29230	1.3
535.26776	1.6
546.38910	1.3
627.46082	1.7
645.46997	2.1
663.48669	1.5
704.19202	0.7
761.38843	100.0
762.39142	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	761.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01871	0.5
55.05510	2.6
57.03437	0.9
61.02937	0.9
67.05507	4.9
69.03405	0.5
69.07078	1.8
73.02931	0.8
78.80214	0.5
79.05495	3.5
80.05827	0.5
81.03432	0.8
81.07051	5.4
82.07407	1.0
83.04972	0.5
83.08624	1.3
85.02914	0.9
86.09731	0.6
91.03958	0.9
91.05470	2.7
92.05868	0.5
93.07049	3.9
94.28967	0.5
94.67387	0.5
95.08604	3.0
96.08960	0.6
97.02941	1.1
97.10165	0.9
105.07004	2.6
107.08590	2.0
109.06501	0.7
109.10164	1.9
111.08080	0.5
119.08595	1.5
121.10173	1.3
125.00030	0.6
131.08566	0.7
133.10167	1.8
135.11737	1.1
145.10153	0.6
147.11734	1.1
159.11761	0.9
163.11137	0.5
173.11757	0.6
184.07335	2.9
193.12253	0.5
198.35846	0.4
209.11708	0.6
229.14452	0.9
230.14738	0.5
261.22272	0.6
267.15912	1.0
270.66193	0.5
272.53098	0.5
277.21732	0.7
285.16898	0.7
335.25815	1.3
336.26236	0.9
337.27380	0.6
465.73245	0.6
478.35977	0.6
483.16666	1.0
535.26953	0.9
545.38324	0.6
546.38538	1.4
564.39807	1.1
580.19171	0.5
647.50977	0.6
759.35376	0.5
761.38794	100.0
762.39081	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01883	0.6
55.05506	0.9
57.03435	1.3
59.04996	1.5
61.02937	3.9
62.37149	0.4
67.05506	2.3
69.03429	2.7
69.07073	1.0
71.04983	2.3
73.02919	3.3
78.56726	0.5
79.05489	3.2
81.03419	5.7
81.07064	3.0
83.04972	1.0
83.08618	1.4
85.02915	4.2
87.04475	0.7
88.10520	0.4
91.03967	1.9
91.05485	3.1
91.57104	0.5
92.47034	0.4
93.07032	2.6
95.04971	2.3
95.08611	0.8
97.02908	3.4
97.06530	0.8
99.04420	0.6
100.11214	0.4
101.02396	1.0
103.03944	0.5
105.07032	2.9
107.08619	1.5
109.02882	0.5
111.08144	0.9
119.08587	2.4
121.06508	0.5
121.10176	2.9
127.03905	1.0
129.07016	0.6
131.08607	2.0
133.10172	1.8
147.11720	2.0
149.09651	2.7
157.10158	1.9
175.11192	2.0
185.04274	0.7
192.41269	0.4
193.12279	2.5
197.15477	0.9
211.11433	0.4
225.14828	1.1
225.33156	0.5
233.11728	0.4
243.08453	2.9
253.14204	0.6
261.68869	0.5
267.16043	1.8
283.15161	6.7
339.17844	2.2
441.21307	0.7
463.25790	0.6
469.20514	1.3
501.23053	28.6
502.23712	2.4
539.58209	0.6
599.33868	0.6
761.39252	100.0
762.39514	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05530	1.1
55.64102	0.7
57.03445	2.5
60.08159	1.1
61.02929	4.3
61.40253	0.7
67.05516	3.9
69.03438	3.0
69.07067	2.1
70.03754	0.6
73.02921	3.3
75.30801	0.7
79.05499	4.9
79.72588	0.6
81.03403	3.5
81.07073	5.2
83.05013	1.8
83.08630	1.3
85.02926	4.5
86.09718	3.3
87.04490	0.9
87.72085	0.7
91.03974	2.3
91.05475	5.3
93.07050	3.4
95.04992	2.0
95.08625	2.3
97.02922	3.4
97.06577	0.9
101.02396	2.0
105.07034	5.0
107.04979	1.4
107.08660	1.2
109.06542	0.7
109.10109	0.9
115.77396	0.8
119.08611	2.6
121.10176	1.3
125.00040	2.9
129.06990	1.1
131.08615	2.1
133.10161	2.8
145.10149	1.7
147.11746	1.8
149.09685	1.6
157.10107	1.0
161.13235	0.9
175.11183	1.1
184.07367	10.1
193.12393	1.3
218.44345	0.8
243.08357	3.5
315.19293	4.5
328.80829	0.7
469.20511	11.0
533.27313	5.5
647.45679	0.9
761.40808	100.0
762.41187	16.2
792.80652	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	761.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
57.03443	1.4
60.08173	3.6
61.02925	6.4
63.76470	1.3
67.05512	8.8
69.03440	4.4
69.07066	3.3
71.07378	1.9
73.02915	3.4
79.05505	4.2
81.03443	3.7
81.07069	8.4
83.08631	1.7
85.02895	5.8
86.09714	15.3
91.03968	4.4
91.05489	4.6
93.07037	6.8
95.04993	2.3
95.08624	6.7
97.02910	4.6
98.23434	3.1
98.98475	3.0
100.48466	1.2
105.07053	2.9
107.04974	1.6
107.08587	3.0
109.10132	2.3
113.11780	1.4
119.08618	1.2
121.10191	2.4
125.00005	7.5
133.10129	2.9
149.13252	1.4
165.12729	1.5
184.07359	47.5
217.32195	1.3
229.31592	1.2
265.10529	1.6
280.04401	1.5
294.21216	1.5
295.22641	2.3
336.26401	1.5
337.27460	2.2
483.18558	4.4
519.29395	7.9
712.45782	2.4
761.40790	100.0
762.41168	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.9
58.06364	0.2
58.06640	0.4
58.32014	0.1
58.59892	0.1
59.07381	0.2
60.08163	6.3
67.05502	0.4
69.93801	0.1
70.17604	0.1
71.07375	3.9
79.05479	0.2
81.03423	0.2
81.07068	0.3
83.72428	0.1
86.09705	31.4
87.10036	0.6
91.05485	0.2
93.07052	0.2
98.23427	0.4
98.98471	3.6
100.77188	0.1
104.10748	2.3
105.06989	0.1
107.08607	0.2
108.21500	0.1
125.00002	22.1
143.01001	0.1
184.07339	100.0
185.07713	1.9
228.99083	0.2
241.57973	0.1
296.23022	0.2
422.70798	0.1
470.59351	0.1
712.45465	5.0
713.45093	0.6
763.40710	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	762.491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84323	0.1
56.05036	0.6
58.06635	0.5
59.07388	0.2
60.08164	5.6
67.05505	0.4
69.50353	0.5
71.07374	3.1
78.33706	0.1
79.05487	0.1
81.03414	0.2
81.07059	0.3
85.02896	0.2
86.09707	28.6
87.10040	0.4
93.07038	0.1
95.08608	0.2
98.22655	0.1
98.98465	3.2
103.44431	0.1
104.10742	1.9
109.10197	0.1
110.82294	0.1
125.00004	18.9
126.00404	0.2
143.01053	0.2
165.12712	0.1
173.97331	0.1
184.07343	100.0
185.07692	2.1
185.85892	0.1
205.34781	0.1
221.65570	0.1
232.00412	0.1
277.21762	0.1
379.36496	0.1
450.22208	0.3
502.46097	0.1
542.37292	0.1
704.56982	0.1
708.23901	0.1
712.45477	4.9
713.45703	0.8
762.40967	0.6
763.42316	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	762.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01869	2.1
55.05517	25.5
57.03436	5.5
57.07078	11.9
58.99970	1.5
59.05008	2.0
61.02930	4.6
67.05143	3.4
67.05508	62.8
69.07070	32.2
71.05000	22.5
71.08632	5.7
79.05493	22.3
81.03397	2.1
81.07061	100.0
82.07381	2.0
83.04967	2.8
83.08618	24.8
85.02912	3.6
85.06554	8.6
85.10194	3.3
91.05487	15.6
93.07045	18.2
95.04954	2.1
95.08611	32.1
95.42648	1.8
97.06544	4.7
97.10168	12.8
105.07037	10.2
107.08595	13.9
109.06535	2.4
109.10160	19.6
111.04430	4.3
111.11709	3.5
113.09641	2.2
117.06995	1.9
119.08594	2.9
121.10144	15.2
123.11696	15.7
125.91283	1.7
131.08588	2.3
133.10127	16.4
135.11696	8.5
137.05972	34.3
145.10117	1.8
147.11710	3.3
149.13261	6.3
151.11212	5.9
159.11732	3.9
161.09677	2.1
170.94057	1.7
177.12802	2.8
183.13811	3.6
184.07285	2.9
187.13315	4.8
195.13785	2.3
203.18054	2.6
213.16359	1.9
231.12512	1.7
231.17485	4.2
247.24290	2.3
249.18451	2.1
249.55467	1.7
263.16006	1.6
265.25366	2.5
269.17465	5.5
277.18008	15.5
295.19064	4.0
301.20099	20.0
313.27414	1.7
339.28973	23.4
340.25620	1.8
489.39734	2.7
507.40472	92.6
508.40659	13.1
521.41803	3.2
533.41736	10.1
565.44659	85.6
566.44977	15.0
589.44720	24.5
590.46655	2.7
621.47418	16.5
622.47455	3.5
741.83636	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	763.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	1.1
55.01888	1.6
65.03954	1.6
68.99792	6.9
71.28479	0.5
79.01862	0.7
81.03429	2.8
81.94112	0.5
85.02956	0.6
89.16326	0.4
93.03429	0.5
95.04991	0.9
99.04462	1.0
105.03450	1.0
107.04962	0.8
109.02886	4.1
111.00797	5.9
111.04454	1.4
119.04974	0.6
121.02888	1.8
123.03556	0.6
123.04441	10.2
125.02359	0.8
127.03925	66.1
128.04269	2.1
131.04962	0.8
133.02895	1.8
135.04413	1.9
137.02388	0.5
139.03909	100.0
140.04247	2.8
143.03394	0.5
147.04420	5.9
149.02356	2.0
149.05965	1.4
151.03912	32.0
152.04268	0.8
153.01840	9.7
153.02965	0.5
153.05452	0.5
155.03424	3.6
155.04646	0.6
159.04434	1.6
161.02408	0.7
161.06003	1.4
163.03914	9.9
163.05197	0.8
164.04248	0.6
165.05492	1.2
167.03464	2.8
171.04448	1.4
173.05983	0.9
175.03918	9.0
177.05489	4.3
179.03407	27.9
180.03741	1.6
181.04974	2.5
183.04442	0.8
185.05949	1.1
187.03998	0.6
189.05455	2.6
191.03409	6.6
193.04997	2.8
197.05960	0.8
199.03920	2.5
201.05501	3.3
203.03423	13.5
205.04987	4.0
213.05521	4.6
215.03377	0.9
217.05002	2.9
219.06508	1.3
223.02396	0.9
225.05516	0.8
227.03363	0.6
229.04956	4.3
231.02823	0.6
231.06548	2.1
233.04420	2.7
241.04912	1.7
243.06340	0.5
245.04483	9.7
246.04958	0.6
251.05426	0.6
253.04993	1.3
257.04483	6.7
259.06100	3.4
263.05530	17.4
264.05914	1.0
269.04422	2.8
271.06021	3.2
275.05502	9.0
277.07126	2.5
281.04404	0.7
287.05521	33.8
288.05859	2.2
289.07050	8.1
295.06158	0.8
299.05505	15.8
300.05853	1.5
305.06543	8.3
306.07065	0.5
307.08014	1.1
311.05560	0.8
313.07132	0.6
317.06577	14.6
318.06885	1.1
323.05444	1.2
361.06964	0.6
389.06497	0.8
407.07587	6.3
425.08716	19.3
426.08923	1.8
437.08472	0.9
443.09698	2.6
459.09183	0.9
467.09702	1.0
497.73608	0.5
595.10205	1.8
785.39911	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	763.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
54.36392	0.4
55.05499	0.5
57.03445	1.2
59.05008	0.4
61.02932	2.5
67.05507	2.0
69.03441	1.5
69.07076	0.8
71.04987	0.7
71.10418	0.6
73.02920	2.0
79.05511	2.3
81.03414	2.1
81.07064	1.8
83.04984	0.7
83.08611	0.6
85.02911	2.4
91.03973	1.7
91.05479	2.6
93.07029	2.5
95.04983	1.9
95.08613	1.1
97.02876	2.3
97.06560	0.6
99.04455	0.4
99.05572	0.7
100.56773	0.5
101.02413	1.1
103.05449	0.6
105.07047	1.5
107.08601	1.2
109.10177	0.5
111.08147	0.5
117.07086	0.6
119.08562	1.0
121.06513	3.5
121.10151	1.5
122.06841	0.7
127.03878	1.1
129.07071	0.4
131.08588	0.8
133.10130	0.8
141.41426	0.4
145.02838	0.4
145.10063	0.8
147.11708	0.8
149.01193	0.4
149.09644	1.1
151.11143	0.6
169.63359	0.4
193.12285	0.9
197.69754	0.4
200.10637	0.6
225.00241	0.4
243.08456	1.3
283.15247	1.5
301.52707	0.5
351.17459	1.2
408.87000	0.5
413.17828	0.8
443.19122	0.6
458.72217	0.6
469.20639	1.0
485.19870	2.1
501.23080	4.0
503.20786	1.5
517.20227	0.7
520.87683	0.5
534.50604	0.4
556.35583	0.5
617.28241	0.5
641.31763	0.6
651.29730	0.5
673.33826	2.1
718.41315	0.6
719.41693	1.3
727.44574	1.0
745.35956	3.6
746.35370	0.6
762.44238	0.7
763.35547	100.0
764.35938	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05516	1.2
57.03440	1.5
59.05001	1.0
59.63176	0.4
60.42113	0.4
61.02923	3.5
63.01681	0.5
67.05508	2.4
69.03422	3.4
69.07072	1.5
69.50795	0.5
71.01372	0.9
71.04992	1.5
71.28455	0.9
73.02928	2.8
75.14075	0.5
76.02218	0.6
78.67871	0.5
79.05487	3.5
81.03418	3.8
81.07060	3.5
83.04962	1.1
83.08632	1.0
85.02918	4.4
87.04482	0.8
88.11266	0.6
91.03970	2.3
91.05482	5.1
93.07049	4.2
93.21552	0.5
95.04980	2.0
95.08628	1.7
97.02894	4.8
97.06551	0.6
99.04458	0.6
101.02401	1.1
103.05482	0.6
105.07040	1.6
107.04949	1.0
107.08616	1.2
107.42707	0.5
109.02876	0.8
109.10152	1.3
111.04416	0.6
115.03837	0.5
117.07052	1.1
117.24822	0.5
119.08621	1.5
121.06541	1.5
121.10149	2.8
123.08111	0.6
127.03942	1.4
129.05533	0.6
129.07071	0.9
131.08591	1.4
133.10146	1.1
135.11766	0.9
137.84273	0.5
141.28789	0.5
145.10178	0.7
146.15297	0.5
147.11668	1.1
149.09647	2.3
164.66620	0.6
175.11229	0.6
179.04953	1.2
191.10777	0.7
193.12329	2.1
203.05373	0.8
243.08513	1.8
267.12289	0.9
267.15900	1.4
283.15305	2.2
285.13309	0.7
339.17807	0.6
413.18005	0.8
443.19226	0.6
469.20413	0.7
485.19931	4.4
501.23038	10.6
502.23254	1.0
503.20673	2.7
601.31104	0.9
620.32166	0.6
703.35431	0.8
727.44476	0.9
745.36169	7.9
763.36517	100.0
764.36780	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	763.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
55.05527	1.1
57.03447	2.2
58.01531	0.6
59.05018	0.9
61.02927	7.6
67.05506	9.2
69.03437	3.3
69.07076	1.2
69.75242	0.6
71.01374	0.6
71.05022	2.0
73.02916	4.5
79.05500	2.8
81.03423	5.6
81.03864	0.6
81.07050	4.6
83.05000	1.4
83.08643	1.1
84.76897	0.7
85.02918	7.0
87.04506	0.9
88.40155	0.6
91.03957	3.0
91.05482	4.6
93.07069	3.1
95.05009	1.9
95.08643	1.4
97.02879	5.4
97.06567	1.4
99.04489	1.2
99.56190	0.6
101.02423	2.3
103.03990	0.6
105.07083	2.7
107.05025	0.7
107.08611	1.9
109.02925	1.0
109.06554	0.8
109.10175	6.3
111.08134	0.8
119.08643	2.4
121.06575	1.6
121.10197	2.5
126.75079	0.6
127.03976	2.6
129.07057	0.9
131.08635	1.8
133.01064	0.6
133.10190	1.1
139.11179	0.7
142.07840	0.8
147.11749	1.2
149.09665	2.1
153.01909	0.7
157.10179	0.8
167.07169	0.8
173.11763	3.0
175.11243	1.2
176.19414	0.7
185.04323	1.1
193.12308	2.0
195.10112	0.9
197.15414	0.7
211.13455	0.7
221.88736	0.6
229.14442	1.6
243.08421	2.9
248.92467	0.5
251.12700	1.1
266.87430	0.6
267.15970	1.3
283.15189	3.9
339.17593	1.2
413.17838	15.2
414.18292	1.5
443.19138	1.8
485.20035	1.9
487.21460	1.7
501.23096	13.3
502.23581	1.4
503.21048	2.0
521.73309	0.6
600.11914	0.7
615.29626	1.3
641.31482	1.0
646.03290	0.7
659.32489	23.6
660.32635	2.8
673.34070	100.0
674.34467	13.1
713.33008	0.9
717.36774	0.7
731.33765	0.7
745.34943	4.2
763.35901	52.8
764.35992	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	763.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05516	1.2
57.03440	1.5
59.05001	1.0
59.63176	0.4
60.42113	0.4
61.02923	3.5
63.01681	0.5
67.05508	2.4
69.03422	3.4
69.07072	1.5
69.50795	0.5
71.01372	0.9
71.04992	1.5
71.28455	0.9
73.02928	2.8
75.14075	0.5
76.02218	0.6
78.67871	0.5
79.05487	3.5
81.03418	3.8
81.07060	3.5
83.04962	1.1
83.08632	1.0
85.02918	4.4
87.04482	0.8
88.11266	0.6
91.03970	2.3
91.05482	5.1
93.07049	4.2
93.21552	0.5
95.04980	2.0
95.08628	1.7
97.02894	4.8
97.06551	0.6
99.04458	0.6
101.02401	1.1
103.05482	0.6
105.07040	1.6
107.04949	1.0
107.08616	1.2
107.42707	0.5
109.02876	0.8
109.10152	1.3
111.04416	0.6
115.03837	0.5
117.07052	1.1
117.24822	0.5
119.08621	1.5
121.06541	1.5
121.10149	2.8
123.08111	0.6
127.03942	1.4
129.05533	0.6
129.07071	0.9
131.08591	1.4
133.10146	1.1
135.11766	0.9
137.84273	0.5
141.28789	0.5
145.10178	0.7
146.15297	0.5
147.11668	1.1
149.09647	2.3
164.66620	0.6
175.11229	0.6
179.04953	1.2
191.10777	0.7
193.12329	2.1
203.05373	0.8
243.08513	1.8
267.12289	0.9
267.15900	1.4
283.15305	2.2
285.13309	0.7
339.17807	0.6
413.18005	0.8
443.19226	0.6
469.20413	0.7
485.19931	4.4
501.23038	10.6
502.23254	1.0
503.20673	2.7
601.31104	0.9
620.32166	0.6
703.35431	0.8
727.44476	0.9
745.36169	7.9
763.36517	100.0
764.36780	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	763.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
56.05017	0.9
57.03422	1.3
58.06587	0.7
58.35191	0.5
59.86382	0.5
60.08165	3.9
61.02902	1.6
67.05507	3.5
69.03403	1.8
69.07047	1.0
71.07390	2.7
73.02888	1.9
79.05461	1.9
81.03400	2.0
81.07059	3.1
82.79466	0.7
83.04987	0.6
85.02900	2.5
86.09708	22.1
87.10026	3.6
91.03924	1.5
91.05471	1.5
93.07010	2.4
95.04970	1.2
95.08582	2.1
96.51009	0.5
97.02908	1.4
98.98463	2.9
104.10713	1.5
105.06995	1.1
107.04919	0.7
107.08569	1.4
109.02919	0.6
109.06439	0.7
109.10159	1.0
114.58692	0.5
117.07079	0.6
119.08530	0.6
121.10178	1.2
125.00008	17.5
126.00305	1.1
133.10112	0.8
135.11656	1.2
184.07343	78.3
185.07698	11.1
243.08470	0.7
267.16092	1.0
268.16153	0.7
334.96548	0.6
337.27405	1.0
401.76910	0.6
425.20154	0.6
467.18866	1.5
485.19766	1.8
509.12488	0.6
519.29364	2.6
530.39374	1.8
535.26923	0.6
541.16498	0.5
548.39990	1.1
601.36658	0.6
627.84332	0.6
693.30292	0.6
710.59210	1.2
713.45728	3.7
745.41046	5.0
746.42139	1.1
763.40973	100.0
764.41241	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.3
56.05009	0.8
56.81367	0.7
57.03426	1.1
60.08163	7.3
61.02919	1.1
61.08484	0.8
67.05489	2.6
69.03426	1.0
69.07055	1.5
71.07382	4.2
73.02879	1.0
79.05477	1.7
81.03415	1.4
81.07027	2.8
81.09481	0.6
82.79430	1.0
85.02893	1.3
86.09708	31.0
87.10040	5.0
91.03983	1.0
91.05460	0.9
93.07026	2.6
95.04969	0.6
95.08590	2.1
97.02887	1.7
98.98461	3.4
101.02379	0.7
104.10722	2.6
105.07030	1.1
107.08588	0.8
108.02428	0.7
109.10146	1.4
119.08545	0.9
121.10136	1.3
125.00008	18.7
126.00315	0.9
135.11691	0.9
149.09645	0.7
150.31436	0.6
165.17029	0.7
184.07349	100.0
185.07712	14.0
212.26823	0.6
217.94287	0.8
267.15881	0.8
385.45419	0.6
485.18442	0.9
519.29474	1.4
530.39240	1.3
713.45459	5.1
745.41125	1.0
763.40625	81.9
764.40955	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05514	0.9
57.03436	1.1
61.02930	1.4
67.05507	4.5
69.03439	1.6
69.07071	1.1
69.42963	3.6
73.02931	1.4
79.05502	1.6
81.03429	1.9
81.07063	4.2
83.08622	0.7
85.02918	2.2
86.09715	2.6
91.05494	1.2
93.07045	2.3
95.04972	0.7
95.08630	2.3
96.08986	0.6
97.02906	2.2
98.22684	1.2
101.02399	0.9
105.07059	1.4
107.08575	1.2
109.10157	1.0
111.08084	0.6
119.08601	1.5
121.10133	1.0
125.00037	1.5
127.03874	0.6
135.11707	0.8
165.49940	0.7
184.07347	8.3
193.78896	0.7
243.08357	0.7
267.15921	0.8
301.08774	0.8
324.26083	0.8
408.23111	0.7
485.19907	1.4
519.29248	3.2
535.27026	1.3
640.44977	0.8
691.40161	2.5
705.41736	1.9
745.40918	1.6
763.40302	100.0
764.40784	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
60.73227	0.8
61.02925	1.4
67.05511	2.1
69.03428	1.0
69.05611	6.4
69.07077	1.4
69.68312	0.7
81.03418	1.0
81.07047	2.8
86.09715	2.9
91.05466	1.8
93.07059	1.7
95.08607	2.3
97.02917	1.1
99.74480	0.7
106.07489	0.9
109.10191	0.8
119.08596	1.2
121.10120	1.4
125.00043	2.2
184.07329	11.1
185.07703	1.0
224.49712	0.9
271.56030	0.9
333.78101	1.0
373.31436	0.8
376.05609	0.9
485.17804	1.2
519.28949	1.1
636.00690	0.9
647.42273	1.8
665.43744	3.9
745.40045	0.9
746.20966	0.9
763.40222	100.0
764.40796	15.8
794.73303	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	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09468	1.0
54.17331	0.9
55.05513	0.9
56.33136	0.8
56.67697	0.8
57.03445	1.6
61.02931	5.3
67.05505	5.9
69.03442	3.1
69.07071	2.5
69.11027	2.9
69.11464	4.2
71.04995	1.4
73.02924	3.3
74.12502	0.9
79.05504	3.1
81.03426	1.6
81.07058	7.9
83.08621	1.9
84.89225	1.0
85.02912	4.6
86.09705	5.6
87.04460	0.8
91.03979	2.5
91.05478	2.8
93.07061	4.3
95.04955	1.2
95.08629	2.6
97.02910	4.9
98.22610	1.2
98.98493	1.0
101.02393	1.5
104.10753	1.1
105.07066	2.6
107.08625	3.3
109.02939	1.1
118.06545	0.9
119.08572	1.4
123.11684	1.3
125.00028	3.3
127.03909	1.2
131.08623	1.0
133.10106	1.6
147.11697	1.3
149.13274	1.0
159.11790	1.2
184.07359	12.1
185.07826	1.4
187.34235	0.9
195.13831	0.9
243.08427	4.2
257.66556	0.8
333.20529	2.3
443.40491	0.9
453.20926	11.1
551.28302	5.0
609.73322	0.8
641.54053	1.0
655.64642	1.0
763.42352	100.0
764.42694	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	763.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.05521	2.5
57.03446	1.4
61.02938	4.6
67.05521	3.6
67.77223	1.0
69.03426	3.2
69.07093	2.4
69.43424	5.3
71.01346	1.1
71.04968	1.2
73.02929	3.0
79.05502	4.6
81.03416	1.3
81.07057	6.4
85.02917	3.4
91.03982	2.4
91.05502	3.0
93.07069	4.8
95.05000	2.0
95.08614	2.3
97.02907	3.1
101.02397	2.0
105.07052	1.9
107.08614	2.5
109.10194	1.5
117.06997	1.3
121.10127	2.7
127.03949	1.4
131.08598	1.2
133.10121	1.1
135.11665	1.8
136.72060	1.2
149.13284	1.5
159.11780	1.6
243.08604	2.3
323.78455	1.0
333.20425	2.2
343.49152	1.0
453.20959	8.1
462.57346	1.1
469.20557	2.6
535.28723	1.5
551.28607	3.9
763.42334	100.0
764.42694	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	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
54.28997	0.4
55.01871	0.8
55.05505	1.6
57.03433	2.2
61.02930	4.6
63.81655	0.4
67.05504	5.9
69.03086	0.7
69.03466	5.2
69.07065	2.8
71.04995	0.9
71.31012	0.3
73.02916	4.0
79.05502	4.2
81.03429	1.7
81.07063	9.5
83.04995	0.7
83.08624	1.6
85.02912	4.3
85.06541	0.8
91.03951	2.7
91.05491	2.7
93.07045	4.0
95.04984	1.1
95.08598	2.4
97.02895	4.6
97.06548	1.2
98.23306	0.7
99.04453	0.8
101.02391	2.2
105.07020	2.3
105.79359	0.4
107.08592	2.7
109.02877	0.8
109.06541	1.1
109.10174	0.8
111.08133	0.6
112.07610	1.5
113.06019	1.0
117.07041	0.7
119.08617	1.5
119.48419	0.4
121.10146	1.9
123.08102	0.5
123.11726	0.6
127.03941	1.5
131.08583	0.7
133.10150	1.0
135.11732	1.1
147.11740	1.2
149.09625	0.8
149.13252	2.3
157.10147	0.6
159.11716	1.4
169.34039	0.4
177.12701	0.5
179.66144	0.3
185.04245	0.8
188.83443	0.4
195.50136	0.4
220.97266	0.4
235.13132	1.2
243.08362	3.7
269.17545	0.7
271.98950	0.4
275.19952	0.5
291.15768	0.8
301.08868	0.5
303.19821	0.4
333.20422	2.9
339.86777	0.4
371.16959	0.6
389.23047	0.6
423.20007	0.9
453.20993	11.9
453.27002	0.7
454.21234	0.7
469.20602	0.6
481.20349	0.5
525.23590	0.7
551.28223	6.0
552.28369	0.5
601.37158	0.6
619.54486	0.4
635.33948	1.0
673.21588	0.6
745.41418	0.4
754.43481	0.4
763.42371	100.0
764.42706	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05519	2.2
55.52993	0.5
57.03434	2.5
59.14278	0.3
60.08163	1.6
61.02932	7.0
65.03976	0.5
67.05505	6.5
69.03432	4.1
69.07055	2.2
70.37666	1.0
70.45968	0.4
71.01351	0.5
71.05002	1.0
71.07372	0.5
73.02914	4.6
79.05499	4.8
79.05924	0.6
81.03422	4.2
81.07055	6.2
81.07471	0.6
83.04996	0.7
83.08620	1.1
83.31444	0.4
85.02905	6.6
86.09702	7.0
87.10046	1.2
91.03967	3.5
91.05521	2.3
93.07057	4.2
95.04983	1.0
95.08603	4.2
96.08926	0.4
97.02896	6.5
97.06572	0.9
97.10178	0.7
98.98483	1.4
99.04470	1.3
101.02399	2.1
103.04000	0.5
104.10733	0.7
105.07038	1.3
107.04964	0.8
107.08598	2.6
109.02917	1.2
109.10133	2.1
111.08102	0.6
117.07058	1.0
119.08615	1.6
121.10159	2.5
124.99994	4.1
127.03942	1.8
129.41928	0.4
131.00124	0.4
131.08653	1.0
133.10173	0.5
135.11685	2.0
137.36072	0.4
145.10176	1.7
147.11644	0.5
149.13226	0.6
163.11226	0.9
180.38506	0.4
182.10300	0.4
184.07339	23.0
185.07715	3.3
193.12314	0.4
203.05362	0.5
225.60875	0.4
243.08478	2.1
267.12112	1.2
267.16025	1.1
282.34567	0.5
335.25903	1.2
337.27618	0.6
338.28137	0.5
411.19858	0.6
413.17838	0.6
441.17523	1.4
467.18939	1.4
485.19992	3.6
519.29346	8.4
520.29736	1.1
530.38940	0.9
713.45941	1.1
719.40729	1.2
745.41418	6.1
746.42041	1.2
763.42285	100.0
764.42529	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	763.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96829	0.7
55.05528	2.2
57.03451	2.0
58.59612	0.8
60.08178	0.9
61.02937	5.5
61.55051	0.8
67.05512	6.3
69.03445	2.7
69.07081	2.9
71.05016	0.9
71.08607	1.1
73.02930	3.3
75.49170	0.7
79.05519	3.3
81.03440	3.1
81.07060	5.2
82.96317	0.9
83.08636	1.2
84.31779	0.7
85.02893	4.0
86.09730	3.2
91.03967	3.4
91.05506	2.6
92.05870	0.8
93.07063	4.9
93.07560	0.7
95.05035	1.6
95.08608	3.6
97.02894	4.7
101.02393	1.5
103.05405	0.8
107.04976	0.7
107.08604	2.7
109.10201	1.6
111.04472	1.1
119.08608	1.5
121.10205	1.5
125.00059	2.3
127.03944	1.3
131.08597	1.8
133.10173	1.1
135.11743	1.3
139.88766	0.7
141.28156	0.7
145.10207	1.8
173.09547	0.8
184.07365	11.6
185.04301	1.5
185.07707	1.7
218.56097	0.7
241.45119	0.7
242.25128	0.8
243.08595	2.2
267.15994	1.8
268.16370	1.1
301.09000	1.9
311.95770	0.8
315.10477	1.0
337.27438	1.2
338.27603	0.9
373.11523	0.8
385.18613	1.2
411.20181	1.1
413.17953	1.5
485.19971	3.2
519.29364	4.9
530.39417	1.7
548.40570	0.9
549.40057	0.7
578.30756	2.2
591.31982	1.2
619.34082	0.8
661.39685	1.1
662.39886	1.1
745.41223	2.9
746.42297	1.1
763.41754	100.0
764.41699	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	763.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01855	0.4
55.05511	1.5
57.03435	2.3
61.02925	7.9
65.03954	0.5
67.05505	7.3
69.03437	4.3
69.07074	1.7
69.21690	3.2
71.01342	0.9
71.04984	2.9
73.02922	5.6
79.05499	4.1
80.59906	0.4
81.03423	3.0
81.07055	8.5
83.08632	0.9
85.02904	5.9
87.04483	0.6
91.03952	5.0
91.05488	3.1
91.71891	0.4
93.07041	5.4
95.04980	0.9
95.08601	4.6
97.02888	6.4
97.06554	0.7
99.04459	1.4
101.02363	3.1
103.03960	0.6
105.07010	2.6
107.08598	2.8
109.02882	0.8
109.10173	2.3
115.03976	0.8
117.07038	0.6
119.08648	1.1
121.10110	2.2
123.08090	0.5
123.11755	1.1
127.03923	1.7
131.08612	1.1
133.10149	2.1
135.11729	1.2
147.11684	0.5
149.13316	0.7
150.23102	0.4
151.11238	0.8
159.11720	1.0
165.12166	0.4
185.04318	0.8
187.13260	0.4
203.05353	0.4
243.08453	2.9
257.17593	0.6
267.15796	2.2
406.77252	0.4
485.23538	5.8
486.23734	0.8
519.29266	9.6
520.29907	1.4
574.48029	0.4
649.68176	0.5
763.46021	100.0
764.46411	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	764.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.1
60.35435	0.8
65.03944	8.4
67.05496	4.2
69.03422	1.2
69.12614	2.3
69.13027	4.0
77.03922	2.4
78.04714	1.9
79.05492	4.4
81.03416	1.5
81.07059	1.0
82.04228	1.7
85.02912	3.0
86.77864	0.7
89.03917	9.8
91.05483	33.2
92.05783	0.8
93.03392	3.3
93.07048	7.9
94.04202	1.1
95.04971	52.6
95.33132	0.7
96.05299	0.9
97.02866	1.1
97.06534	1.3
102.04671	1.4
103.05476	9.6
105.03411	2.6
105.04512	3.5
105.07013	2.3
106.04180	4.7
107.04971	6.5
109.06525	3.8
110.03651	3.6
111.04444	3.5
115.05459	3.2
117.03378	22.2
117.06996	1.3
118.04170	1.2
118.37946	0.8
119.04944	27.5
120.05687	3.0
121.02889	1.5
121.06506	36.4
122.06785	1.0
123.04430	66.6
124.05000	1.1
125.02329	2.0
125.05998	6.4
130.04149	3.0
131.04932	6.3
132.05774	2.4
133.02846	4.8
133.06470	2.6
134.03636	3.0
134.05962	1.0
135.04475	4.4
136.05183	2.9
136.07578	1.0
137.05984	10.5
138.03116	1.3
138.09160	1.2
139.03932	1.2
139.07497	1.4
140.04681	18.1
142.02655	1.6
143.04903	1.5
145.02846	49.6
145.06509	5.8
146.03502	1.6
146.53934	0.8
147.04411	25.9
148.05196	4.4
149.05980	22.0
150.03162	1.0
150.06712	1.1
151.03859	2.4
151.07564	8.5
153.05450	11.8
153.09097	2.0
154.06255	3.9
155.07036	34.5
156.07347	1.5
157.03955	3.8
157.80783	0.9
158.03613	4.7
159.04402	2.4
160.05164	5.0
161.02332	1.8
161.05995	11.5
162.03134	3.4
163.03926	3.4
163.07523	2.8
164.04694	1.8
164.07051	2.6
165.05484	6.8
165.06760	1.1
165.09087	2.0
167.07036	30.7
168.07474	1.2
170.70351	1.0
171.06508	2.3
173.06000	11.5
174.03127	0.9
175.03905	35.2
175.07553	2.5
176.04686	8.4
176.08328	1.4
177.05472	100.0
178.05804	4.5
179.07027	11.2
180.07819	3.6
181.04961	63.5
182.05299	2.7
182.09367	9.8
183.06531	80.8
184.06885	3.2
186.03146	3.1
186.05473	1.0
187.03961	1.2
189.05443	2.2
189.09048	1.3
190.06259	1.2
191.07034	18.3
191.08742	1.6
192.07785	3.5
193.04958	3.0
193.08670	1.5
194.09328	0.8
195.06546	6.3
197.08110	3.3
201.05466	42.0
202.05893	3.2
203.07037	1.5
205.08612	0.8
207.06525	18.0
207.08067	1.0
207.10094	1.2
208.07195	4.3
209.06264	0.9
209.08078	26.2
210.08859	14.2
213.05466	1.0
219.06526	64.7
220.06889	3.4
225.07584	21.0
226.08167	1.7
231.06517	2.1
233.08098	1.3
234.06766	1.0
235.07564	1.7
236.10501	1.2
247.07652	0.9
263.07047	2.5
264.07654	1.1
265.08682	1.2
277.08585	1.1
279.06375	1.0
280.07251	1.0
291.06592	2.8
293.08124	1.2
294.08670	1.2
295.09586	1.9
297.11142	1.3
307.09616	2.6
309.07565	1.3
311.08978	1.5
312.12265	3.1
314.13925	1.6
321.07574	1.1
323.05679	1.1
323.09274	2.4
325.10651	1.7
329.10208	2.3
337.10657	1.4
339.12271	1.3
341.10202	0.9
351.08612	5.4
353.10193	22.4
354.10739	2.0
355.11697	3.3
356.14963	12.0
357.14014	0.9
359.11264	2.8
365.10144	4.3
367.11765	1.1
369.09488	1.7
371.11160	8.4
372.11899	1.4
383.11246	14.0
384.11813	2.7
385.12747	1.4
386.13760	2.2
401.12372	10.6
402.12631	1.3
404.14648	27.8
405.14789	1.7
415.13885	1.2
416.14587	8.0
417.15436	4.2
434.15768	11.5
435.16101	1.6
490.18570	15.5
491.18613	1.9
502.18518	1.3
549.18689	1.0
561.17145	1.7
579.18341	2.2
591.18127	1.0
764.35925	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	764.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04707	0.3
69.03425	0.5
69.18259	1.2
69.18664	0.4
78.04718	1.8
79.05492	3.0
81.03394	0.4
81.07040	0.5
85.02904	1.6
91.05482	1.4
92.88416	0.2
93.07048	0.3
95.04955	0.7
97.02861	0.6
103.05467	3.6
105.04448	0.3
105.06382	0.4
105.07038	5.0
106.04168	1.2
107.04961	6.5
109.02827	0.5
109.06541	0.4
115.05447	1.4
117.07005	1.3
118.04169	0.3
119.04914	0.3
119.08495	0.2
121.06511	2.0
122.03696	0.5
123.04437	5.6
123.08039	0.6
123.59211	0.2
124.05249	2.6
125.06008	0.4
127.03886	0.5
129.06975	0.9
131.04924	5.8
131.08556	0.8
132.05612	0.2
133.05588	0.4
133.06499	4.7
134.03619	0.6
135.04387	0.3
135.08067	1.5
136.05203	0.3
137.05988	2.5
138.06750	0.3
139.03908	0.4
141.07001	0.7
143.04889	0.6
143.05997	0.4
143.08557	0.2
144.05705	0.8
145.06491	2.5
145.10132	0.4
147.04401	1.6
147.08017	0.4
149.06007	0.4
150.06625	0.3
151.03917	1.3
151.07539	3.1
152.04688	2.3
153.01738	0.3
153.05441	0.5
155.06007	0.2
157.06516	0.5
158.07274	0.9
159.08003	1.3
160.05203	0.3
161.05992	6.2
163.07544	10.9
164.07852	0.5
165.05460	0.3
165.09058	0.4
167.07042	100.0
168.07382	3.6
169.06467	0.3
171.08029	0.3
172.05164	0.6
173.05989	1.0
173.09595	1.1
175.07562	1.8
177.05576	0.3
177.09134	2.0
178.06184	0.4
179.07066	2.8
181.08604	3.9
182.08910	0.3
186.06737	0.4
187.07564	2.6
189.09111	0.7
191.06979	0.3
192.07784	0.8
193.08609	15.1
194.08885	0.5
195.10168	0.4
201.09106	2.0
203.08565	0.5
205.08572	1.2
207.10191	0.6
217.08568	0.9
218.09387	0.3
219.10165	2.7
221.11682	0.5
231.08136	0.5
233.11699	3.1
237.11221	2.7
248.08328	0.3
249.11253	0.4
251.12729	1.6
263.10785	0.6
291.10074	0.8
295.13254	0.5
303.01379	0.3
323.12610	1.7
355.15393	10.3
356.15833	0.6
387.18005	12.9
388.18295	0.9
405.19092	30.6
406.19418	2.9
423.20135	1.1
424.20468	0.2
573.60358	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	764.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
56.05019	1.0
57.03416	0.9
57.07048	0.7
58.06585	0.7
60.08168	7.4
61.02914	1.5
61.08488	1.1
67.05479	2.3
67.99715	0.6
69.03385	0.8
69.07052	0.7
71.07369	4.6
72.07664	0.7
73.02908	1.5
79.05482	1.8
81.03410	0.7
81.07030	1.8
83.08611	1.2
85.02892	2.3
86.09705	33.3
87.10017	5.7
91.03948	0.9
91.05516	1.4
93.07026	1.1
94.07412	0.7
95.04945	0.8
95.08572	1.3
97.02867	1.4
98.98470	4.5
101.02396	0.7
104.10722	2.3
109.10178	0.7
125.00009	22.9
126.00314	2.7
127.00455	1.6
129.51794	0.6
136.66652	0.6
182.12796	0.6
184.07346	100.0
185.07707	22.4
186.07791	7.9
209.98523	0.7
216.80305	0.6
236.31151	0.6
243.07796	0.6
276.76514	0.7
523.48816	0.7
713.45703	1.0
714.45764	4.9
746.41974	1.3
764.41211	63.7
765.41730	11.9
768.96454	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	764.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.05060	0.7
57.03411	0.7
57.07061	1.0
60.07928	0.6
60.08167	6.3
62.98845	0.6
67.05501	2.8
69.07066	2.9
71.07375	3.0
71.08637	1.1
71.31330	0.7
79.05506	1.6
79.26230	0.6
81.03414	5.3
81.07075	3.2
83.08624	1.8
85.10172	0.7
86.09710	24.6
87.10042	0.7
91.05466	1.2
93.07049	1.4
95.04932	0.9
95.08598	2.2
97.06606	0.5
97.10186	1.3
98.98483	2.1
104.10725	1.9
105.07048	0.6
107.08592	0.8
109.10142	1.7
119.08560	0.9
121.10139	1.2
125.00005	16.2
125.00878	1.2
129.06961	0.8
131.08566	0.8
135.11707	0.7
138.18530	0.6
171.15709	0.6
175.07515	0.6
184.07352	100.0
185.07672	2.0
193.12260	1.4
267.15875	8.2
339.28876	4.9
388.05902	0.6
521.30176	0.8
531.40356	4.2
549.41785	1.1
667.44287	0.7
714.46954	5.9
764.44238	4.1
765.32440	0.6
765.43176	5.4
787.61749	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	765.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
55.05504	1.5
57.03435	1.8
58.59707	0.6
61.02948	2.6
67.05507	3.8
69.03439	1.3
69.07070	1.5
69.43435	0.5
73.02920	1.8
79.05508	2.7
81.03408	1.0
81.07064	4.2
82.07399	0.9
83.04970	0.9
83.08622	1.3
88.08462	0.6
91.03957	1.2
91.05492	2.1
93.07062	2.9
94.07373	0.9
95.04975	0.8
95.08604	1.2
97.02892	3.0
97.06535	0.5
98.03249	0.6
101.02406	1.1
105.07037	1.8
107.08588	1.8
109.06519	0.5
109.10123	0.8
110.12909	0.6
111.04551	0.5
117.07004	1.0
119.08554	0.7
121.10118	1.0
127.03895	0.6
131.00175	0.6
131.08528	0.9
133.10139	1.2
135.11723	0.6
147.11650	0.9
149.02312	0.8
149.09619	0.7
149.13232	0.8
163.11203	0.9
167.60176	0.6
193.04912	0.7
206.78210	0.6
229.83997	0.8
243.08492	1.1
244.09001	0.8
255.08952	0.7
273.10037	0.6
274.70575	0.8
275.20047	0.6
349.17056	1.1
439.19650	1.2
441.20978	0.5
453.20895	1.0
454.21384	2.4
455.21466	1.6
473.17001	0.9
552.28552	1.4
553.28778	2.8
567.24854	1.4
637.32190	1.1
699.87042	0.6
764.42328	1.5
765.39819	100.0
766.38428	14.1
766.55688	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	765.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.3
58.57140	2.0
61.02928	5.3
67.05521	3.7
68.62469	1.7
69.05912	3.1
69.06306	15.4
69.07085	3.5
73.02922	4.4
79.05492	4.2
81.07054	3.0
89.86975	1.8
91.03952	3.1
93.07072	4.8
97.02920	5.2
97.10185	2.6
107.08598	3.2
110.00340	1.9
115.06505	2.0
127.03984	2.8
135.11743	4.6
187.29132	2.2
224.34775	2.2
239.86520	1.9
241.11333	1.9
243.08481	3.3
351.24490	2.0
373.48401	1.9
439.19644	8.1
457.52155	2.3
567.27887	5.8
765.40302	100.0
766.40704	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	765.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.1
57.03442	1.9
57.07079	3.8
60.08162	3.5
64.81668	1.5
67.05515	10.6
69.07058	2.4
71.05032	1.8
71.07374	2.6
71.29373	1.7
79.05492	4.8
81.03428	9.1
81.07055	8.8
83.08635	4.0
85.10207	2.5
86.09715	18.9
87.10083	2.8
91.05467	4.0
93.07042	6.2
95.04957	3.3
95.08623	6.2
98.98460	1.9
105.07052	2.4
107.08571	2.0
109.10176	2.3
116.99447	1.5
119.08593	3.4
125.00012	14.8
126.38387	1.7
131.08629	2.8
159.77792	1.8
184.07352	71.1
185.07755	9.8
193.12302	1.7
267.15930	7.9
268.16293	3.8
313.27438	4.5
339.28983	2.1
340.29324	3.1
448.35150	1.5
505.38831	7.3
528.47504	1.8
532.40900	5.8
631.43152	3.1
649.44312	20.1
650.44769	2.9
667.45282	12.8
715.47296	3.4
747.41113	8.1
765.41870	100.0
766.42188	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65333	0.4
55.05507	1.1
57.03442	1.8
60.08166	1.0
61.02929	6.1
67.05175	0.6
67.05503	4.4
69.03429	3.7
69.07084	1.5
71.01347	0.6
71.04997	0.8
73.02924	4.1
79.05494	4.1
81.03423	3.0
81.07058	5.0
83.04999	0.6
83.08624	0.9
86.09713	5.0
87.04508	0.4
87.10025	0.6
91.03968	3.2
91.05493	2.1
93.07053	4.0
95.04969	0.8
95.08616	3.1
97.02887	4.3
97.06534	0.4
97.40534	0.4
97.41159	0.4
98.98498	0.6
99.04455	0.5
101.02393	1.9
102.92364	0.3
103.03947	0.7
104.10796	0.8
105.07043	1.4
107.04928	0.4
107.08611	1.6
109.02923	0.9
109.10155	1.2
111.58219	0.4
117.07109	0.5
119.08617	1.1
121.10143	2.9
125.00015	3.2
127.03925	2.0
129.07051	0.5
131.08589	1.0
133.10199	0.6
135.11703	0.8
139.11211	0.7
145.05048	0.5
145.10133	0.4
147.11708	0.7
149.09662	0.8
157.10194	0.4
169.59024	0.4
184.07338	16.1
185.04350	0.8
185.07683	2.6
193.12337	0.8
199.12817	0.3
207.95085	0.4
215.76868	0.4
225.10789	0.5
239.91843	0.4
243.08452	2.3
251.12775	0.6
266.22626	0.4
269.13733	1.5
335.26013	0.5
353.85495	0.4
443.18875	3.7
469.20529	1.8
487.21509	4.5
519.29376	7.2
520.29926	1.2
675.44196	1.5
721.41125	1.5
747.43024	2.0
765.43909	100.0
766.44250	16.5
766.58130	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	765.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.9
57.03442	2.4
57.07085	1.8
61.02935	3.7
67.05508	8.8
67.69369	1.1
69.03448	3.2
69.07075	1.9
71.04999	3.2
73.02940	3.4
79.05511	3.0
81.03436	3.0
81.07056	8.3
83.08652	3.0
85.02937	3.7
91.03962	3.1
91.05496	3.3
93.07072	2.3
95.05038	1.1
95.08635	4.8
97.02917	2.8
101.02454	1.5
105.07066	2.1
107.08627	1.2
109.02876	1.1
109.10172	1.2
121.10208	1.4
127.03992	1.2
131.08699	1.1
133.10165	2.2
145.01408	1.2
191.62312	1.1
195.00272	5.7
210.97797	1.3
243.08649	1.6
267.15869	2.0
313.27505	1.8
452.96960	1.1
485.23962	6.7
521.31201	3.9
593.45367	1.6
649.89172	1.2
667.45105	6.3
765.47675	100.0
766.47980	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	24.4
57.03445	16.3
57.07073	7.9
57.84345	2.6
61.02930	4.7
63.51126	2.9
65.03945	5.0
67.05512	100.0
69.07079	27.9
71.04993	2.6
71.08623	3.1
72.12728	3.0
79.05499	46.9
81.07062	94.9
83.08614	14.2
85.02927	2.7
85.06564	6.0
86.09730	9.6
91.05487	33.0
91.81698	3.4
93.07048	47.1
95.08617	71.4
97.02900	2.8
97.06546	4.6
97.10188	4.6
98.22612	5.1
99.08121	7.5
105.07047	20.2
107.08607	28.3
109.06588	3.2
109.10158	25.6
109.69182	3.0
117.07052	4.2
119.08583	20.0
121.10152	21.9
123.11720	9.2
124.97570	2.5
125.00006	6.9
125.09615	4.3
131.08578	12.0
133.10143	18.9
135.11722	13.3
137.09610	4.2
137.13266	5.9
145.10190	7.0
147.11653	13.0
149.13310	10.5
159.11685	7.0
161.13269	9.1
175.14894	5.9
177.38644	2.8
184.07346	25.1
187.14894	3.2
188.19115	2.9
215.17981	6.7
217.19591	6.3
233.19019	5.5
235.20691	7.8
241.19951	3.0
243.21146	8.8
261.22128	15.9
307.22754	2.8
309.24234	88.5
310.24469	5.6
311.25726	3.0
317.24802	4.8
335.25830	89.4
336.25937	5.2
337.27411	4.9
397.00266	3.0
462.93750	3.1
495.41418	2.7
508.52878	2.8
510.32925	3.1
548.74310	2.9
569.45624	32.5
587.46600	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
55.05515	15.0
57.03439	6.1
57.07104	1.2
59.04988	1.9
61.02929	1.2
61.19228	1.0
65.03967	1.3
67.05509	18.6
69.03422	6.0
69.07070	5.9
70.07064	2.0
70.07395	1.9
71.04988	4.3
73.02964	1.1
79.05495	21.4
81.03419	35.7
81.07064	19.2
83.05005	7.7
83.08630	10.5
85.02916	4.4
85.06559	1.7
87.04455	1.2
91.05486	18.7
93.07044	14.7
95.04977	14.0
95.08614	10.9
97.02895	5.9
97.06573	2.9
97.10197	10.3
99.04498	1.8
103.05416	1.6
105.07034	13.1
107.04968	11.4
107.08597	9.5
109.02898	4.6
109.06528	3.8
109.10150	7.6
111.04440	5.6
111.08086	3.3
115.05475	1.7
117.07005	5.9
119.04942	1.5
119.08589	8.9
121.02880	1.3
121.06511	6.5
121.10146	7.4
123.04414	2.9
123.08067	5.4
123.11684	1.2
125.09626	8.6
127.03922	2.0
129.07008	8.2
131.04965	3.2
131.08600	8.2
133.06522	4.0
133.10127	4.0
135.04451	2.3
135.08101	2.8
135.11687	4.5
137.09653	1.5
141.07014	1.3
143.08513	5.3
145.06497	6.2
145.10150	7.9
147.04428	2.6
147.08064	5.0
147.11693	4.2
149.06007	1.7
149.09631	4.2
153.12758	4.7
155.08582	4.3
157.06554	2.0
157.10141	4.4
159.08089	2.5
159.11700	3.0
161.05971	8.9
161.09622	2.0
163.11205	7.4
169.10358	1.2
171.08098	2.4
171.11752	1.4
173.04518	1.7
173.06050	2.0
173.08313	1.6
173.09671	4.5
175.07533	2.0
175.11226	3.0
178.17049	1.2
181.12253	1.9
182.19334	1.2
183.08157	1.7
185.09561	1.7
185.13390	1.2
189.05525	1.7
189.09113	2.6
189.11252	3.0
191.10719	3.7
193.12230	6.7
195.11609	1.5
197.06056	1.2
197.09691	2.0
201.12776	1.3
205.12332	1.8
209.11705	1.4
211.11258	2.7
211.13191	1.3
217.12393	1.3
227.12727	7.1
229.12190	1.4
231.13840	2.8
235.13260	1.6
243.13806	2.0
251.17831	1.2
257.11905	1.3
257.15479	1.4
265.14447	1.6
267.15927	13.1
268.16351	1.8
271.13327	1.4
273.14859	3.2
283.15378	5.2
285.14941	2.2
287.16299	1.2
289.14359	5.7
301.14441	4.1
337.21490	1.6
355.22678	3.1
365.21045	3.6
383.22122	14.5
401.23248	6.1
427.19644	6.0
435.27692	1.5
439.24872	1.7
443.28088	1.5
457.25821	26.9
458.25793	1.5
461.28784	2.4
475.26941	100.0
476.27057	12.0
493.27975	2.0
499.26584	1.6
507.29416	2.6
517.28162	2.2
541.27698	1.7
559.28577	1.9
583.28937	4.8
601.29791	6.1
619.31012	12.6
637.31995	4.3
669.17755	1.3
769.39362	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	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
55.05511	22.6
57.03442	6.7
65.03939	3.0
66.54507	1.0
67.05511	40.5
69.03423	8.7
69.07072	26.4
71.04990	2.5
79.05497	51.0
81.03415	7.9
81.07063	35.9
83.04987	9.7
83.08624	9.4
85.02908	1.6
85.06513	2.4
91.05482	38.8
93.07045	42.4
95.04967	14.7
95.08613	18.7
97.02909	9.3
97.06553	5.2
97.10172	10.7
98.23454	2.6
103.05453	1.2
105.04527	1.6
105.07030	27.6
107.04954	10.6
107.08604	14.0
108.86761	1.0
109.06511	4.2
109.10160	8.2
111.08097	2.3
117.07027	10.1
119.04957	3.3
119.08585	19.9
121.06520	4.1
121.10135	5.7
123.08096	5.4
125.09638	9.4
127.07526	1.0
128.06223	2.1
129.07014	10.3
131.08554	8.3
133.06473	3.2
133.10133	9.2
134.07291	1.1
135.08058	3.8
135.11708	1.7
137.09641	2.1
142.07834	1.0
143.08545	7.1
145.06514	1.6
145.10112	8.3
147.08087	5.8
147.11687	16.2
148.11966	1.4
149.09563	2.1
149.13277	2.0
153.09105	1.0
155.08514	1.4
157.10112	1.4
159.11682	2.8
161.09634	4.3
161.13264	5.0
162.10370	1.4
163.11130	2.2
166.17104	1.3
171.11685	11.8
175.11197	3.0
177.12839	1.2
189.11169	2.8
189.12822	4.6
205.12288	2.4
207.13797	13.7
223.13278	14.6
224.13463	1.2
227.12756	4.9
249.14825	2.7
267.15952	1.7
273.18491	12.1
281.17471	41.9
281.20566	2.0
282.17816	3.5
291.19556	82.6
292.19907	5.0
347.22119	2.0
365.23230	28.2
366.23438	2.9
465.28110	1.3
473.28790	4.9
491.29651	1.2
553.35382	2.3
571.36304	100.0
572.36652	15.5
607.43396	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.6
55.05273	2.0
55.05515	25.4
57.03441	7.0
57.07063	3.2
61.02924	1.5
65.03938	5.8
65.15962	1.1
67.05508	89.5
68.05829	1.7
69.03436	6.6
69.07072	23.8
71.05000	5.7
73.06555	2.6
74.20424	1.0
77.03932	1.5
79.05496	91.7
80.05842	1.9
81.03411	13.6
81.07059	85.8
82.07393	2.2
83.04986	18.2
83.08617	9.2
85.02879	1.2
85.06556	8.5
87.89847	1.3
91.05483	100.0
92.05827	2.9
93.07047	88.5
94.07384	3.2
95.04977	29.1
95.08610	37.9
97.02908	3.3
97.06518	8.7
97.10181	3.5
99.04442	2.7
103.05456	2.9
105.04517	4.0
105.07037	76.4
106.07391	2.7
107.04265	1.9
107.04955	15.5
107.08601	45.4
108.08970	1.3
109.06521	13.5
109.10159	50.0
110.10515	1.9
111.04433	2.0
111.08106	5.8
113.06010	2.0
115.05435	2.4
117.07030	14.6
119.08585	34.9
120.08920	1.5
121.06531	11.5
121.10143	11.7
123.04330	1.4
123.08077	9.2
123.11695	7.2
125.09628	2.4
127.07584	4.3
128.06226	5.2
129.07001	18.7
131.08575	16.1
133.06519	8.1
133.10136	67.1
134.10461	2.8
135.08047	9.1
135.11681	7.6
137.09654	2.9
139.07474	1.9
143.08551	14.8
145.06490	1.9
145.10141	17.2
146.07321	1.5
147.08072	6.8
147.11688	31.1
149.09659	8.5
149.13316	1.4
151.11185	30.3
152.11467	1.3
155.08499	2.0
156.09410	1.6
157.10144	5.3
159.08064	2.8
159.11693	5.5
161.09642	13.3
161.13271	12.7
163.11201	3.0
165.09109	2.9
169.10182	2.7
169.12213	2.5
171.11694	26.8
172.12135	1.6
173.09758	1.4
175.11195	5.5
177.09154	3.2
177.12762	1.7
179.10638	2.3
185.13330	2.5
187.11172	1.3
189.12747	11.7
199.11151	1.6
200.30344	1.2
207.13808	25.9
208.14214	1.3
213.16333	1.5
215.12743	3.1
223.13135	1.3
225.14856	1.6
227.17915	2.9
245.19009	7.2
251.12660	5.9
253.14363	90.3
254.14781	5.6
255.17485	3.4
263.04272	1.3
263.20135	3.6
271.15552	1.5
273.18491	39.3
273.21457	1.9
274.18820	3.3
275.20068	2.3
279.16000	1.5
281.17471	61.5
282.17822	4.2
291.19550	43.7
292.19742	2.6
301.21548	1.3
309.20526	3.5
347.22247	12.2
365.18713	2.0
365.23224	33.3
366.23630	3.2
475.26764	3.7
476.51282	1.3
477.28506	32.4
478.28909	2.6
525.35028	1.7
543.36591	4.7
553.35309	13.8
554.35449	1.6
571.36316	77.7
572.36755	12.0
768.44202	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	768.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56514	1.8
55.05276	3.7
55.05518	42.9
57.03450	22.0
57.07090	14.0
60.08177	2.8
61.02926	4.6
65.03944	4.6
67.05510	80.5
69.07073	55.1
71.04991	5.1
71.08627	6.6
73.02921	2.6
79.05142	1.5
79.05493	50.7
81.07065	87.9
83.05005	2.4
83.08621	32.5
85.02933	3.2
85.06525	2.3
85.10191	2.2
86.09709	15.4
87.27995	2.1
89.80300	2.1
91.03916	2.5
91.05502	23.3
93.06477	4.3
93.07052	67.5
95.04946	2.0
95.08617	74.8
97.02891	3.0
97.06538	7.4
97.10186	15.6
99.08105	2.6
105.07022	13.8
107.08595	35.3
109.10161	26.9
111.08105	3.7
111.11703	4.6
117.07003	5.3
119.08604	12.1
121.10152	32.3
122.10535	2.6
123.11710	11.8
125.00002	9.9
131.08575	8.8
133.10123	9.8
135.11710	28.1
137.13298	4.7
145.10120	8.4
147.11687	5.4
149.13297	12.0
151.11310	2.2
159.11659	6.2
161.13239	7.3
163.14813	7.8
173.13278	8.4
175.14886	3.9
184.07368	42.7
187.14914	2.6
195.00317	18.0
219.21109	3.1
243.21082	7.0
261.22165	25.3
299.23770	2.2
309.24350	2.9
311.25806	100.0
312.26190	7.1
317.24570	3.2
335.25815	84.0
336.26187	3.7
337.27499	2.5
353.35104	2.3
371.68524	2.1
571.47260	30.2
572.47272	5.0
589.47839	6.0
720.96393	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	770.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	17.2
55.05515	50.0
57.03442	19.8
57.07063	1.7
59.05012	3.4
60.99829	1.9
61.02914	5.5
65.03933	4.9
67.05503	78.6
69.03416	10.5
69.07069	38.0
71.04994	5.0
73.13418	1.7
76.63162	1.8
78.04717	1.7
79.05492	84.7
81.03416	31.3
81.07054	78.5
83.01350	6.1
83.04977	22.2
83.08615	34.4
85.02910	10.9
85.06532	4.4
90.12627	1.9
91.05480	77.5
92.05816	2.2
93.07043	84.2
93.07634	4.1
95.01334	2.3
95.04969	45.3
95.08607	39.4
96.08947	1.9
97.02889	14.2
97.06522	14.5
97.10163	18.4
99.04460	4.3
99.08089	2.2
103.05448	3.7
103.37868	1.7
105.04517	2.5
105.07029	61.3
106.07346	3.7
107.04958	23.3
107.08601	45.1
108.08971	1.9
109.06520	19.7
109.10145	19.2
111.04442	5.0
111.08089	6.7
115.05473	5.6
117.07021	27.6
119.04942	2.2
119.08575	44.9
120.08889	2.8
121.06499	7.4
121.10136	19.1
123.08092	15.2
123.11700	4.1
125.09628	14.0
127.07510	2.4
128.06233	2.9
129.07001	18.1
130.07726	2.4
131.08563	25.7
133.06442	4.1
133.10135	24.1
134.10367	1.8
135.08063	7.5
135.11665	16.6
137.09637	6.1
141.07039	2.1
142.07813	2.7
143.08516	16.3
143.10568	2.4
145.10123	38.0
146.07286	1.8
146.10541	2.5
147.08038	8.3
147.11667	25.8
148.11906	2.0
149.09621	12.9
149.13266	5.4
151.11145	3.6
155.08530	3.3
157.10149	9.5
159.11720	14.1
161.09627	7.2
161.13208	9.0
163.11185	29.1
165.09126	1.9
167.08441	2.0
169.10106	4.4
171.11642	15.2
173.09598	4.9
173.13301	3.8
175.11150	4.5
177.12866	4.4
181.12248	5.1
183.11673	2.3
184.07362	1.9
185.13300	2.4
189.11192	6.8
189.12770	5.3
191.10680	3.5
193.12312	4.3
195.11740	2.9
195.13712	2.1
205.12244	2.6
207.13881	14.1
209.11734	5.1
211.14897	2.0
221.15158	1.9
223.13263	24.4
227.12717	10.2
229.19469	2.9
239.17921	1.7
253.14343	2.4
257.19064	5.6
267.15942	14.1
273.18530	11.8
275.20035	40.0
276.20511	2.9
281.17471	55.6
282.18021	2.1
283.15396	71.1
284.15738	4.8
291.19540	100.0
292.19870	4.8
293.21039	12.7
347.22101	2.7
349.23773	18.3
365.23245	39.7
366.23566	3.5
367.24698	11.5
461.28970	2.8
475.30356	6.1
537.35651	3.4
541.35364	23.4
542.35718	2.7
555.36981	28.1
556.37048	5.4
573.33844	79.3
574.34204	10.3
608.43744	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	770.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	24.6
57.03440	13.0
57.80763	3.0
67.05510	32.2
69.03455	4.8
69.07064	5.5
70.06590	4.0
71.04993	12.9
72.60014	3.1
79.05495	37.4
81.03423	88.5
81.07065	28.6
83.04990	9.8
83.08612	24.8
85.02919	5.6
91.05489	31.8
93.07040	27.3
95.04972	32.0
95.08627	14.9
97.06537	8.8
97.10183	16.2
105.07034	20.9
105.07668	4.2
107.04975	22.9
107.08595	22.9
109.06550	7.1
109.10155	7.6
111.08099	11.2
113.06036	5.8
113.90833	3.0
117.07043	8.9
119.08581	20.7
121.06481	17.0
121.10129	8.5
123.04482	4.1
123.08046	7.9
125.09631	17.9
129.07047	12.0
131.08598	14.4
133.06525	6.3
133.10185	6.5
135.08055	6.7
135.11623	6.4
143.08595	6.5
145.06454	8.9
145.10092	4.6
146.10588	3.6
147.08060	8.9
147.11705	14.0
149.09619	6.4
153.09082	4.0
157.10127	12.4
171.07973	5.4
175.11215	11.4
185.09708	4.8
189.05298	8.7
189.11293	6.4
193.12227	25.8
211.13344	10.8
227.12811	10.3
233.15462	4.2
267.15933	54.8
273.14746	8.6
282.14676	9.9
283.15118	4.0
339.23254	4.1
349.21735	4.2
358.74677	3.3
367.22687	15.2
385.23785	21.7
403.24814	9.6
441.26147	9.5
459.27438	79.0
460.27689	9.9
475.26886	7.8
477.28464	100.0
478.29095	6.3
491.30045	9.9
506.63303	3.8
509.31000	12.1
585.30469	4.0
621.33008	6.3
770.28082	18.3
772.16815	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	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
55.05514	43.6
56.05837	2.6
57.03458	9.7
61.69142	2.1
67.05508	53.3
67.05840	4.5
67.50564	2.3
69.03424	3.8
69.07074	17.2
69.51474	8.4
71.04993	3.4
79.05496	84.7
81.03413	10.9
81.07060	59.9
83.04991	19.5
83.08620	29.8
85.02905	3.4
91.05479	60.2
93.07046	72.2
95.04972	62.8
95.08610	34.1
97.06536	7.1
97.10172	7.9
98.23285	3.9
99.04480	6.4
99.08127	2.0
103.78146	2.1
104.78976	2.0
105.04518	2.4
105.07031	55.9
107.04964	18.5
107.08602	37.2
109.06526	13.0
109.10143	10.2
111.04479	3.5
111.08088	5.5
117.06999	14.9
119.08589	30.3
121.06491	5.4
121.10134	16.1
123.08092	6.5
125.09622	6.2
129.06998	15.1
131.08568	14.1
133.10143	20.3
135.08067	4.8
135.11684	5.1
137.09694	2.7
138.92996	2.3
143.08554	10.9
145.10129	24.5
147.08064	4.3
147.11691	25.6
149.09616	21.2
157.10207	2.5
159.11723	8.2
161.09645	7.0
161.13275	9.2
163.11205	21.3
165.12788	3.6
169.10054	3.3
171.11700	24.4
177.12759	3.9
183.11684	2.4
189.11247	4.3
189.12787	5.1
205.12170	2.7
207.13837	23.2
223.13335	18.2
227.12854	2.5
239.17929	3.1
257.19016	5.7
275.20047	45.8
276.20456	2.5
281.17459	100.0
281.20560	4.9
282.17914	4.9
293.21109	21.2
349.23788	20.3
367.24808	26.6
488.31903	2.4
537.36298	2.7
555.36835	57.6
556.37323	7.4
573.37848	74.2
574.38043	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.9
55.05515	22.6
57.03437	8.7
65.03954	7.8
67.05508	81.6
69.03433	5.5
69.07085	25.0
70.96077	8.8
79.05500	79.5
80.92745	3.7
81.03433	13.9
81.07059	73.1
83.04980	15.9
83.08622	20.7
85.06528	4.4
91.05478	70.7
93.07041	83.6
95.04964	24.9
95.08609	36.4
97.06532	15.3
97.10159	6.6
98.98493	3.6
105.07029	42.6
107.04977	12.6
107.08594	33.8
109.06548	13.9
109.10165	10.7
111.08110	5.9
117.07012	15.3
119.08584	34.6
121.06497	3.9
121.10141	15.4
123.08105	5.9
127.04024	4.4
129.07013	15.8
131.08572	13.0
133.10123	18.9
135.08076	4.1
135.11690	7.5
136.54402	4.1
143.08539	6.3
145.10091	19.2
147.11681	42.3
149.09642	8.6
149.13315	4.8
159.11682	9.4
161.13297	11.8
163.11121	11.1
171.11670	22.5
173.13260	5.6
177.12790	5.4
189.12762	9.1
207.13747	30.8
255.15913	6.8
257.19095	6.0
268.32355	4.1
269.17496	15.5
275.20117	24.8
281.17465	60.2
294.98828	4.0
335.25720	4.3
349.23657	15.7
390.98389	4.7
461.28705	24.4
475.30579	100.0
476.31158	5.6
515.34027	5.7
555.36615	32.4
573.37323	6.9
579.56494	5.0
619.35175	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62103	3.1
55.01863	4.5
55.05515	29.9
57.03437	7.8
65.03933	4.2
67.05505	61.8
67.56385	2.8
69.03428	3.4
69.07076	19.9
71.05001	6.3
71.30609	2.8
74.42231	2.8
79.05066	5.8
79.05492	73.2
81.03432	9.3
81.06583	6.8
81.07054	100.0
83.04974	13.9
83.08593	17.4
85.02918	3.5
85.06521	3.4
87.30909	2.9
90.82545	3.6
91.05479	56.2
91.59447	3.2
93.07039	61.5
95.04961	21.6
95.08617	32.9
97.06525	8.6
97.64622	3.2
104.10739	3.7
105.04510	3.1
105.07030	49.1
107.04973	15.0
107.08592	25.3
109.06521	29.1
109.10157	12.6
111.08087	3.8
112.07572	3.3
117.07014	10.4
119.08575	37.3
121.06457	4.2
121.10131	14.9
123.08052	11.2
123.11690	6.7
129.06989	16.6
131.08566	14.3
133.10107	16.3
135.08054	3.4
135.11691	5.6
137.09595	4.0
143.08601	6.5
145.10121	11.9
147.11679	37.9
149.09615	7.5
149.13211	5.6
157.10085	3.8
159.11659	8.1
161.13289	7.8
163.11205	8.6
169.10185	4.1
171.11694	16.0
183.11890	3.8
184.07349	5.9
189.12804	4.8
195.00301	4.2
207.13766	17.8
275.20053	51.9
276.20142	3.6
281.17456	78.8
293.21075	6.8
349.23718	27.3
367.24838	15.7
370.36249	3.2
541.25256	3.6
555.28577	5.9
555.36749	92.8
556.36884	12.4
573.37860	71.0
574.38019	4.9
641.68634	3.6
782.54932	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	770.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.7
57.03444	9.8
57.07080	27.4
60.82927	0.7
61.02921	2.0
62.98453	0.7
64.95502	0.6
65.03930	1.6
67.05508	35.7
68.05823	0.7
69.03439	1.1
69.07072	10.1
69.67290	3.6
70.64997	0.7
71.04999	1.8
71.08635	22.5
79.05497	20.2
79.33736	0.7
81.07060	38.0
83.04978	1.4
83.08620	7.5
85.02911	2.5
85.06537	1.3
85.10184	10.5
86.09702	2.7
89.06042	1.5
91.05486	11.9
93.07050	21.5
95.04984	1.7
95.08609	33.7
96.08959	1.2
97.02892	1.4
97.06535	1.2
97.10174	5.6
99.08106	1.2
101.51348	0.7
103.07581	1.1
105.04515	1.0
105.07023	7.1
107.08591	13.2
109.10164	18.4
111.08143	1.1
111.11765	1.3
113.09651	0.7
117.07008	2.6
119.08602	6.2
121.10143	10.9
123.11718	6.5
125.00002	1.4
125.09661	1.0
131.08559	6.2
133.10153	4.4
135.11699	9.1
137.13263	2.5
145.10126	4.9
147.11716	4.3
149.13300	5.0
151.14886	1.4
159.11699	4.7
161.13263	3.7
163.14874	2.7
173.13335	4.2
175.14803	1.3
177.16388	1.6
184.07355	8.4
187.14818	2.3
233.22612	1.4
239.23640	3.6
241.31055	0.8
243.21114	6.7
254.49864	0.7
257.24817	2.5
261.22134	29.5
262.22528	1.3
313.27365	100.0
314.27667	6.3
317.24796	6.0
335.25821	67.8
335.28946	1.1
336.26154	4.6
443.05356	0.8
499.45209	1.0
573.48773	32.9
574.49432	4.0
591.49719	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	771.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
65.00293	0.1
68.99788	0.1
69.03423	0.3
70.54362	0.0
70.54671	0.1
71.04980	0.0
79.01852	7.4
80.02186	0.1
81.03413	0.4
87.00849	0.2
95.01305	0.1
97.02892	1.3
99.04457	0.1
106.45174	0.0
107.01316	1.6
109.02875	0.9
123.00798	0.4
125.02346	3.3
126.02673	0.0
127.03914	4.3
128.04257	0.1
131.04921	0.1
143.03395	7.5
144.03679	0.1
150.44504	0.0
153.01822	100.0
153.02818	5.3
153.29065	0.1
154.02147	2.6
154.03186	0.1
159.04399	0.3
163.03870	0.1
171.04395	0.1
177.05373	0.2
181.01294	0.2
183.02892	0.1
187.03889	0.1
189.05432	0.1
197.00761	0.1
199.03862	0.1
205.04919	0.5
207.02995	0.0
215.03305	0.2
217.04956	0.2
233.04419	1.1
235.02309	0.1
235.06120	0.1
237.03998	0.0
243.02786	0.3
261.03958	1.1
279.04993	1.7
280.05228	0.1
305.02905	0.9
431.06226	0.0
449.07138	0.1
537.83667	0.0
555.28363	0.0
694.34308	0.0
771.09515	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
55.05515	12.0
57.03447	5.6
57.07074	2.2
59.58828	0.9
61.02928	16.8
65.03951	1.9
67.05507	24.2
69.03427	9.4
69.07075	9.0
71.01360	1.3
71.05012	1.5
71.98694	0.8
73.02909	8.9
79.05496	16.9
81.03416	5.1
81.07055	24.7
82.07392	0.9
83.04961	1.8
83.08640	5.4
85.02898	13.3
85.06541	1.9
86.09700	1.3
91.03958	7.2
91.05481	13.4
93.07047	16.1
95.04994	2.4
95.08604	17.0
97.02891	10.6
97.06538	1.2
97.10184	4.3
98.23363	2.0
99.04471	2.1
101.02394	2.1
105.07038	15.3
107.04968	1.1
107.08598	10.6
109.02884	1.6
109.10157	7.5
115.03875	0.9
115.05457	1.3
117.07032	6.8
119.08581	13.9
121.06542	0.9
121.10139	7.1
123.11730	1.2
124.99984	1.0
125.09715	1.1
127.03942	3.0
128.06230	3.0
129.06992	9.9
131.08563	12.0
133.10135	9.4
135.11707	3.6
141.06950	5.3
142.07761	2.3
143.08575	12.9
145.04898	1.0
145.10123	12.1
147.11670	6.4
149.13260	2.5
153.01874	1.6
153.06981	0.9
154.82864	0.9
155.08549	9.8
156.09306	0.9
157.10144	11.4
159.11717	8.0
161.13315	2.6
163.11223	1.2
163.14842	2.0
165.07011	1.4
167.08588	3.8
168.09286	1.2
169.10135	13.2
171.11694	9.8
173.13274	4.5
175.14796	1.3
179.08582	1.6
181.10121	6.9
182.10739	1.5
183.11707	10.7
184.07350	4.0
185.13245	7.4
187.14816	2.7
189.16431	2.1
191.62294	0.9
193.10161	3.1
195.11713	8.6
197.13275	9.0
199.13248	1.0
199.14821	4.8
201.16420	1.7
207.11601	2.0
208.40515	1.1
209.13277	6.2
211.14842	6.5
213.16426	2.8
215.18103	1.0
219.11740	1.2
221.13260	2.7
222.13930	1.0
223.14845	4.0
225.16394	4.2
227.17986	2.1
233.13268	1.3
235.14847	1.9
237.16425	3.9
239.17911	2.8
249.16510	1.1
251.18074	1.1
265.19669	1.3
279.20905	1.1
321.22180	1.1
337.25381	1.4
351.26794	1.2
365.28268	1.2
447.32059	1.0
499.39551	1.4
501.35898	1.3
513.35858	0.9
515.37201	1.3
517.40363	6.5
525.35980	1.1
535.41541	2.6
539.36853	2.6
541.38635	1.5
545.37811	4.4
549.15338	1.0
573.42627	1.2
591.44153	6.5
607.34399	1.0
607.44006	1.4
609.45135	100.0
610.45435	14.4
611.46680	1.0
621.44684	1.7
667.40167	1.5
753.48511	2.1
771.40729	6.3
771.49945	15.0
772.51923	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	772.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
65.03940	0.1
70.65649	0.2
77.03941	0.4
81.03433	0.1
85.28249	0.1
91.05480	3.9
92.05830	0.1
93.07045	6.3
95.04971	1.2
102.04640	0.1
103.04786	0.2
103.05470	4.5
103.73271	0.1
104.05799	0.1
105.04502	0.6
105.58926	0.1
121.06506	100.0
121.64176	0.1
122.06837	2.6
136.06190	0.5
138.09138	24.6
139.09489	0.7
139.10440	0.1
147.42926	0.1
160.01904	0.1
220.16194	0.1
277.03400	0.3
299.20618	0.1
316.29935	0.1
581.76953	0.1
621.12830	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	772.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.7
55.05513	27.3
57.03439	24.4
57.07068	3.5
59.04995	2.7
61.02924	3.5
65.03939	4.2
66.28474	2.2
67.05507	73.9
69.03429	10.7
69.07066	21.0
70.30512	2.6
71.01357	3.3
71.05001	20.8
71.29649	3.1
73.02921	3.6
79.05493	69.2
81.03421	81.0
81.07059	59.4
83.04974	17.6
83.08615	26.5
84.04510	3.9
85.02895	9.4
85.06541	9.3
87.04482	3.8
91.05479	51.6
92.05807	2.2
92.31756	2.4
93.06470	5.1
93.07040	66.5
95.04967	68.4
95.08604	27.3
97.02894	11.1
97.06529	10.2
97.10178	14.3
98.03208	2.4
99.04433	3.0
99.08092	3.0
99.48626	2.2
100.66276	2.1
103.05436	2.3
104.25104	2.6
105.07033	32.1
107.04951	23.7
107.08591	34.0
109.02895	11.7
109.06536	13.6
109.10152	29.6
111.04472	14.2
111.08087	9.6
113.05981	2.5
115.05467	3.5
117.07015	17.1
119.04958	2.3
119.08597	30.3
121.02832	3.8
121.06517	18.3
121.10145	47.7
123.04436	28.5
123.08078	10.1
125.02296	2.7
125.05964	3.7
125.09631	14.9
128.06197	3.4
129.06984	13.0
131.04990	2.5
131.08557	26.9
133.06479	7.5
133.10130	14.0
135.04424	2.9
135.08067	7.1
135.11702	12.8
137.05989	5.0
139.11189	10.6
143.08549	4.5
145.06450	6.2
145.10095	20.7
147.04356	3.4
147.08006	13.3
147.11708	8.9
148.06117	2.8
149.09616	23.0
151.11159	3.1
153.01849	5.3
153.09145	4.1
155.08589	6.1
157.06412	2.4
157.10156	8.1
159.08034	3.9
159.11720	4.1
161.09592	5.5
163.11211	23.1
165.12746	2.9
167.10706	5.1
169.10078	2.9
171.11755	6.3
173.04364	2.4
173.09782	10.7
173.11783	4.6
173.13202	2.6
175.07622	2.4
175.11221	8.0
177.12785	7.7
181.12216	3.9
185.11765	4.4
187.11154	5.0
189.09210	2.3
189.11246	5.3
189.12787	5.2
191.10683	9.4
193.12224	19.9
199.11189	3.3
205.12314	3.1
207.13745	5.8
209.11699	23.8
211.13231	3.3
217.12173	5.5
219.13708	3.0
223.13306	3.7
227.12813	6.3
229.14352	13.7
231.13841	5.2
235.11105	4.9
235.13268	33.3
241.14290	21.0
247.13368	5.6
249.14822	5.3
259.15442	39.5
265.14301	7.1
267.15952	36.5
271.13217	3.4
273.17050	6.3
283.15558	11.1
289.14316	4.6
301.16489	10.0
309.16934	28.9
315.18164	2.5
321.17108	3.3
337.21539	3.3
339.18210	3.0
355.22894	3.1
365.21030	8.5
373.23611	4.2
383.22223	16.1
383.26489	2.7
401.23096	12.7
419.24240	5.6
421.25433	3.0
433.25800	11.0
439.24591	4.1
447.27164	8.3
457.25885	22.9
465.28513	4.4
475.26883	100.0
476.27045	6.7
489.28622	4.2
493.27969	93.6
494.28162	10.0
499.27585	2.5
507.29462	14.2
511.28873	4.7
517.28015	3.2
525.30267	6.5
601.30139	4.5
610.35742	9.6
619.30902	7.2
637.32465	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	772.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	13.4
55.05515	36.9
57.03443	24.1
59.05006	29.0
61.02927	2.3
65.03941	5.2
67.05508	84.6
69.03429	9.5
69.07080	13.9
71.01361	3.7
71.04993	17.7
73.54549	1.5
75.17329	1.9
79.05501	50.7
79.05977	2.7
80.05849	2.2
81.03423	100.0
81.07063	49.7
83.04993	21.0
83.08620	28.4
85.02929	9.2
85.06544	5.9
86.60889	1.7
87.04480	28.1
91.05485	52.2
93.07054	38.2
95.04976	40.1
95.08613	19.5
97.02888	10.8
97.06536	9.0
97.10172	20.2
98.23351	5.9
99.00284	1.7
99.04459	11.5
99.08102	3.4
105.03386	2.3
105.07030	28.3
105.07674	2.5
107.04956	19.5
107.08601	25.8
109.02922	2.0
109.06522	6.6
109.10159	51.8
111.04459	11.1
111.08093	14.7
115.05527	3.6
117.07005	11.3
119.04949	2.0
119.08585	29.9
121.02878	4.1
121.06539	12.9
121.10168	22.7
123.04450	5.6
123.08112	4.0
123.11760	2.3
125.09642	14.4
128.06236	2.3
129.07013	13.7
131.04930	3.1
131.08575	19.1
133.06512	7.7
133.10114	15.0
135.04443	5.0
135.08052	6.6
135.11732	9.1
137.05998	2.7
137.09630	6.1
141.06924	2.3
142.07761	2.2
143.08562	4.3
145.06506	3.2
145.10107	15.1
147.04443	3.1
147.08047	8.7
147.11714	17.9
149.06139	2.5
149.09645	19.6
151.11243	2.0
153.09129	5.4
153.12766	8.7
155.08565	2.5
155.10684	3.4
157.10117	17.4
159.07997	2.7
159.11707	3.9
161.06018	5.2
161.09608	3.3
163.11179	15.5
165.12828	5.1
167.10713	3.7
173.09586	3.1
173.11795	10.5
173.13156	3.3
175.07565	2.2
175.11220	18.0
181.12302	7.7
183.11729	2.0
187.11183	2.2
189.11240	9.0
191.10666	8.4
193.12250	54.4
194.12648	3.2
197.15402	3.0
199.13356	5.7
201.12822	3.7
209.11685	10.5
211.13300	35.1
211.15164	2.9
212.13727	2.3
217.12270	2.6
217.14333	2.7
219.13676	3.0
221.15474	2.0
223.13428	2.7
225.14827	10.3
227.12750	16.1
229.12350	2.7
229.14362	34.7
231.13826	3.8
233.11897	2.1
235.13321	4.5
247.13341	10.5
249.14888	16.0
259.13358	4.0
263.16360	2.8
267.15921	60.1
268.16199	3.8
273.14728	2.5
283.15488	11.8
289.14124	2.4
315.18063	4.5
337.21759	6.2
355.22830	11.2
365.21091	10.3
373.23932	6.5
383.22171	25.6
384.22623	3.0
401.23267	15.5
409.25809	4.4
415.12152	2.7
415.24884	2.5
421.25821	25.5
433.25876	4.2
457.25809	6.2
459.26846	2.1
475.26947	18.2
489.28564	2.5
493.27972	4.9
507.29559	10.1
525.30597	7.2
652.30322	2.1
748.34650	2.0
773.39099	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	772.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	14.6
55.05514	38.3
57.03437	28.4
59.05004	28.0
65.03930	5.2
67.05177	8.2
67.05508	93.7
69.03420	8.3
69.07069	13.6
71.04997	22.5
71.38337	4.3
79.05496	51.8
81.03424	100.0
81.07060	46.8
83.04987	18.6
83.08613	32.2
84.38025	4.7
85.02892	7.8
87.04475	30.6
91.05477	50.8
93.07037	29.4
95.04985	36.3
95.08616	17.5
97.02899	10.8
97.06546	9.9
97.10178	17.9
99.04446	11.1
105.07035	24.6
107.04971	25.3
107.08607	26.8
109.06557	9.2
109.10175	52.9
111.04434	8.9
111.08070	11.2
117.07002	13.2
119.04901	5.7
119.08599	36.7
119.83773	4.1
121.06523	21.1
121.10146	24.9
123.04411	5.3
123.08032	4.9
125.09637	21.9
129.07011	18.0
131.08568	20.7
133.06401	4.5
133.10135	16.8
135.04362	5.5
135.08037	7.7
135.11691	8.5
137.05971	8.3
142.07753	6.5
143.08624	6.2
145.02829	5.7
145.10150	13.9
147.04442	6.8
147.08057	4.4
147.11725	16.1
149.09639	22.8
153.09096	9.2
153.12675	6.7
157.10162	17.5
161.05952	7.4
163.11246	21.5
167.07065	6.9
167.10747	6.1
172.18936	4.2
173.09589	5.5
173.11766	9.4
175.11172	16.5
177.05539	8.6
181.08842	4.6
181.12221	8.5
184.07402	4.8
185.13269	5.6
189.11247	12.2
191.10689	5.5
193.12250	67.2
197.15428	5.2
199.13249	9.2
209.11694	9.7
211.13278	49.1
225.14879	10.3
227.12727	24.9
229.12396	8.0
229.14394	29.8
235.13304	6.3
247.13277	12.4
249.14906	12.7
267.15936	64.1
267.44043	4.9
273.14783	6.0
283.15344	8.4
338.66437	4.9
355.22760	9.0
365.21161	11.4
372.05127	5.4
373.23920	6.3
383.22189	28.6
401.23169	18.2
421.25803	27.8
475.26831	25.2
478.92102	5.1
507.29361	11.0
525.30194	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	13.0
55.05514	40.1
55.82653	1.8
57.03439	13.2
57.07066	2.1
58.92898	1.9
65.03933	4.5
67.05505	67.1
67.69456	1.8
69.03421	8.1
69.07069	37.6
69.07426	3.9
69.48609	1.9
71.04981	8.8
79.05493	71.9
79.07316	2.0
81.03417	36.5
81.07059	100.0
82.07374	2.5
83.04978	15.6
83.08623	34.9
85.02903	12.5
85.06533	5.0
91.05486	56.6
93.07045	65.9
95.04977	30.6
95.08604	61.8
97.02895	9.1
97.06535	12.8
97.10180	11.9
99.04461	5.5
99.08120	5.0
105.07038	48.7
107.04961	21.4
107.08596	50.6
108.08905	2.2
109.02871	2.2
109.06535	23.7
109.10174	17.2
111.04405	3.4
111.08092	9.9
113.06042	3.2
115.05460	2.8
117.07035	19.2
119.08572	39.3
121.06506	14.0
121.10152	26.0
122.10499	2.4
123.08051	10.6
123.11702	8.2
125.06013	4.3
125.09657	7.4
127.07597	3.1
129.07016	7.9
131.08574	21.3
133.06456	3.4
133.10144	34.0
135.08104	7.3
135.11697	54.7
137.09605	3.9
139.07584	2.7
143.08551	5.1
145.10124	44.8
147.08057	7.4
147.11697	20.8
149.09573	12.9
149.13280	6.0
151.11174	8.0
153.12697	2.3
153.55762	2.1
157.10158	11.6
159.08080	2.7
159.11668	11.6
161.09665	4.2
161.13293	3.5
163.11176	62.7
165.12743	5.1
169.10188	3.2
173.09615	2.2
173.13281	4.8
175.11229	9.8
177.12709	4.5
179.14265	3.0
181.12248	8.5
185.13231	2.1
189.11191	3.2
193.12262	22.2
209.11694	4.8
211.13254	27.4
211.14966	2.9
223.13245	8.0
227.12787	63.6
229.19435	3.5
249.63631	2.1
253.14310	15.3
257.18994	3.7
267.15967	17.9
269.17447	3.7
273.18478	13.8
275.20087	39.9
276.20593	2.9
283.15417	74.7
284.15802	3.7
285.16946	23.2
291.19556	45.8
292.19940	3.7
293.21164	7.1
347.22104	3.2
349.23752	29.4
365.23206	21.2
366.74625	2.1
367.20172	2.4
367.24762	43.0
417.54370	2.5
463.26767	4.1
477.28217	9.3
539.34064	2.6
557.34790	82.6
558.35016	9.6
575.35767	99.4
576.36029	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	772.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.4
55.05512	21.1
55.22354	1.1
57.03436	11.3
57.07080	2.0
65.03946	1.6
67.05508	54.7
68.98782	3.1
68.99187	7.3
69.03421	2.3
69.07069	19.9
71.04997	16.5
73.02905	1.2
73.06571	1.6
77.03906	1.9
79.05497	44.7
80.05820	1.8
81.03412	5.2
81.07059	91.3
82.07390	2.3
83.04993	6.6
83.08623	21.6
85.02905	3.3
85.06551	4.2
90.52669	1.4
91.04913	1.2
91.05483	32.9
93.07042	50.2
94.07358	1.4
95.04984	10.6
95.08605	26.1
97.02908	2.5
97.06535	9.3
97.10193	2.8
98.21481	1.4
99.04431	2.0
99.08096	2.5
105.04486	1.6
105.07036	24.8
107.04973	8.5
107.08597	31.5
108.36089	1.2
109.06525	19.7
109.10169	10.6
111.04462	4.8
111.08073	8.2
113.09657	2.7
115.05421	1.7
117.07021	11.6
119.08577	20.5
121.06498	7.4
121.10140	21.5
123.08067	5.3
123.11704	5.7
125.09625	2.6
129.07005	3.0
131.08574	15.9
133.10129	16.8
135.08055	4.9
135.11700	12.1
137.09639	3.9
139.11162	1.9
145.10155	8.8
147.08109	2.1
147.11696	13.1
149.09644	6.6
149.13249	25.5
149.75323	1.1
151.11163	2.4
157.10120	2.7
159.11696	15.2
161.13272	2.2
163.11215	6.3
163.14839	2.1
165.12772	4.4
171.11829	2.9
173.13301	2.6
175.11249	1.7
177.12784	4.2
178.01515	1.1
184.07388	1.9
193.12219	1.7
195.13797	4.6
197.13321	1.7
209.87860	1.3
219.13652	1.7
229.14397	2.1
229.19551	1.4
239.18111	1.7
247.20602	2.8
251.16489	1.8
257.19025	2.0
269.17468	78.3
270.17804	4.3
275.20047	52.9
276.20486	2.6
293.21234	5.0
301.20087	2.1
307.22681	5.3
335.25986	2.5
348.68561	1.3
349.23730	22.8
350.24011	3.2
381.26343	15.3
417.30038	2.6
441.25494	1.4
463.30353	2.7
517.34967	1.9
525.35779	1.9
543.36804	100.0
544.37140	12.4
561.37958	11.6
575.39392	40.8
576.39575	4.6
773.38678	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.5
55.05271	2.7
55.05516	26.9
57.03447	9.4
57.07066	1.7
58.33517	1.5
59.23481	1.5
61.02929	2.5
61.76033	1.2
65.03935	1.8
67.05509	61.6
68.05869	1.5
69.00620	2.9
69.01024	8.9
69.03432	2.3
69.07073	26.4
71.04998	18.3
74.73244	1.3
79.05499	44.0
81.03422	6.5
81.07064	84.2
81.12245	1.5
83.04994	9.0
83.08627	23.5
85.02886	1.7
85.06555	5.0
91.05487	42.8
93.06470	2.9
93.07052	52.3
95.01324	3.8
95.04971	19.0
95.08617	28.7
95.17104	1.3
96.08959	1.7
97.02905	1.8
97.06535	14.0
97.10180	3.1
98.23316	2.6
99.08069	2.4
103.05447	1.5
103.08822	1.6
105.04522	1.9
105.07041	48.3
106.07406	1.7
107.04966	14.3
107.08605	30.9
109.06541	6.6
109.10162	10.2
111.08096	4.8
117.07026	14.1
119.08602	23.7
121.06525	6.3
121.10157	15.7
123.08079	3.6
123.11721	4.8
125.09626	3.3
129.07039	4.0
131.08574	18.9
133.10141	29.1
135.08070	5.0
135.11713	10.5
137.09644	2.6
140.69757	1.4
143.08592	3.1
145.10121	15.0
147.08031	2.5
147.11711	8.2
149.09622	10.7
149.13255	14.8
150.13605	2.1
151.11198	4.1
157.10107	2.4
159.11696	11.4
161.13329	3.4
163.11211	11.5
165.12788	3.4
169.10149	1.9
169.42014	1.4
171.11765	2.2
173.13274	4.1
175.11244	2.2
177.12805	6.5
179.14342	5.5
183.13806	3.2
184.07397	3.2
187.11246	2.4
195.13834	5.3
198.07129	1.6
205.12180	1.5
225.14908	2.6
229.19498	1.7
239.18005	2.4
247.20549	2.9
251.16211	1.9
257.19012	4.8
269.17493	53.4
275.17114	2.8
275.20087	46.9
276.20456	2.7
293.21063	4.6
301.20154	16.6
331.22464	2.5
335.26187	1.6
349.23721	31.7
350.24020	2.6
381.26245	5.8
517.35297	18.2
518.35614	1.8
520.74176	1.5
525.36554	1.7
531.36713	6.2
543.36853	100.0
544.36932	11.9
561.37817	4.1
575.39423	61.4
576.39746	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	772.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
55.05513	18.9
57.03450	8.9
57.07077	1.8
59.05016	1.9
61.02934	3.9
65.03945	3.5
67.05512	56.9
69.03437	3.4
69.07073	20.1
71.04994	16.9
79.05500	42.6
81.03433	5.6
81.07062	100.0
82.07388	2.4
83.05000	7.1
83.08620	21.6
85.02936	3.1
85.06560	4.4
86.09756	1.9
91.05489	34.0
93.07050	45.3
94.07426	1.3
95.04974	9.7
95.08614	29.7
97.02892	2.9
97.06538	9.8
97.10194	2.4
99.08112	2.4
105.04546	1.6
105.07034	21.8
105.07678	1.9
107.04966	7.1
107.08599	28.8
107.09287	1.9
109.06524	20.0
109.10159	9.7
111.04431	5.6
111.08083	7.7
113.09654	2.7
115.05479	1.6
117.07035	10.6
119.08579	17.4
121.06544	4.6
121.10174	15.1
123.08083	6.1
123.11736	7.3
125.09628	2.5
129.07030	3.3
131.08580	14.3
133.06595	1.4
133.10143	19.8
135.08087	3.0
135.11700	9.9
137.09642	3.8
143.08592	2.2
145.10139	9.3
145.98392	1.1
147.11713	10.7
149.09659	5.9
149.13278	14.9
150.13628	1.4
151.11176	3.2
151.78949	1.1
155.08496	1.8
157.10214	1.6
159.11696	12.9
161.13284	2.7
163.11201	6.5
163.14951	1.4
165.12791	4.7
169.10178	2.0
171.11772	1.8
173.13284	2.9
175.11182	1.6
177.12764	4.8
178.40149	1.2
183.11739	2.0
184.07384	3.2
193.12271	2.5
195.13829	11.9
195.97913	1.4
229.19563	2.4
239.18042	1.4
247.20581	2.2
251.16483	3.5
257.19009	4.8
267.16046	1.4
269.17487	90.1
270.17944	5.3
275.20096	43.7
275.50327	1.2
276.20511	1.7
289.22070	1.3
293.21185	4.4
307.22656	8.3
336.69418	1.4
349.23712	19.8
350.23978	2.0
381.26425	25.9
382.26724	2.7
403.54776	1.2
543.36871	70.7
544.37170	11.0
561.37964	9.9
562.38202	2.1
575.39496	60.4
576.39874	10.9
749.97369	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	772.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
55.05519	13.1
57.03453	4.1
57.07073	2.9
60.20522	2.0
61.02921	4.6
67.05511	47.5
68.05844	2.2
69.03448	2.8
69.07077	12.5
69.97048	7.4
71.04993	12.5
73.02907	2.8
79.05495	22.5
81.03452	5.2
81.07058	69.1
82.07400	2.7
83.04996	4.3
83.08611	4.9
85.02915	4.1
85.06542	5.9
86.09710	12.9
91.03957	2.2
91.05476	22.3
93.07047	28.4
94.07334	2.3
95.04955	3.8
95.08604	23.3
97.02928	3.7
97.06538	3.9
98.96324	2.6
102.35780	2.2
105.07046	17.8
107.08595	16.7
109.02895	2.9
109.10159	12.5
111.08147	2.6
117.07042	3.3
119.08580	9.8
121.10130	14.1
123.11726	8.8
125.00008	6.9
129.07037	2.5
131.08553	8.3
133.10147	11.5
135.11708	6.7
145.10135	3.8
145.46506	2.0
147.11713	2.6
149.09651	2.6
149.13225	4.2
151.11223	3.0
159.11697	6.7
173.13354	2.4
174.88611	2.0
184.07356	42.4
187.13361	2.6
193.47214	2.0
195.13756	3.1
261.22186	3.2
269.17490	5.4
297.22461	2.2
301.20087	19.9
335.25748	27.4
336.26276	5.5
503.37326	100.0
504.37686	8.5
529.38953	7.0
530.59674	3.1
530.92645	2.1
544.78583	2.5
561.41541	27.5
562.42108	4.5
610.44659	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	773.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
60.14067	0.9
61.84335	0.9
64.87648	1.2
65.03933	5.3
67.05486	1.1
71.30412	1.7
77.03931	3.6
78.04730	1.2
79.05495	6.1
81.03423	3.1
88.68439	0.9
89.03923	6.9
91.05485	37.6
92.05779	1.0
93.07049	18.4
94.04180	2.5
95.04975	9.1
97.02915	1.0
103.05475	23.3
105.03426	6.7
105.04522	4.1
105.07053	1.2
107.04954	16.7
109.02891	1.7
115.05451	2.2
117.03373	6.4
117.07037	1.9
118.04160	2.3
119.04952	24.8
120.05746	17.1
121.06513	100.0
122.03657	3.7
122.06815	1.6
123.04458	2.3
124.08209	1.1
127.03945	1.2
131.04942	4.6
132.02077	2.2
133.02861	52.2
133.06425	2.2
134.03279	1.3
134.06023	7.1
134.55904	1.1
135.04449	7.7
135.06772	1.7
135.08018	1.3
136.07578	17.6
136.08536	1.6
137.05984	29.3
138.09161	4.5
145.02838	12.4
145.06479	3.9
146.03534	1.8
146.06024	1.9
147.04411	17.1
148.05147	2.4
149.05974	18.1
150.06775	5.4
151.03955	5.9
151.07529	1.7
152.06137	1.0
153.06978	1.2
159.04430	5.6
160.05174	1.5
161.04750	1.7
161.05968	11.3
162.03189	1.0
162.05530	1.5
163.03896	11.4
164.04694	1.9
164.07047	5.5
165.05499	7.0
165.07037	5.3
167.07047	6.8
167.08479	1.8
173.00990	1.1
173.02376	4.3
173.04582	0.9
173.05959	4.8
174.03157	1.5
174.06784	4.3
175.03906	26.9
175.07578	3.3
176.04755	1.4
176.07092	1.2
177.03989	1.6
177.05490	23.6
177.06982	2.0
178.07768	5.8
179.07082	1.6
179.08455	5.7
181.05019	2.4
181.06526	2.5
182.07266	1.4
186.03033	1.2
187.03889	12.0
188.07120	3.3
189.01807	1.1
189.05487	2.0
189.07039	3.4
190.04936	2.0
191.03485	1.2
191.07016	2.0
191.08485	1.7
192.06645	6.1
193.04945	4.0
193.06448	2.2
194.07201	2.5
195.08081	6.4
196.08871	1.1
197.05908	1.4
201.05475	20.4
205.04807	1.9
205.06538	6.5
206.07195	2.6
206.63390	1.2
207.08060	13.3
209.09616	3.3
210.06787	2.7
211.07576	3.5
213.09128	1.0
215.03389	3.8
216.06651	1.1
219.08096	2.4
220.05173	1.9
221.06200	5.0
222.06680	3.3
222.09151	1.9
223.07535	6.1
224.08324	3.6
225.09122	3.6
227.06995	1.4
233.06006	4.0
234.06740	3.6
235.07520	7.7
236.08339	2.5
237.05525	1.9
237.09167	6.3
238.06163	1.4
239.07074	2.5
239.10770	1.7
240.07794	2.4
241.08643	3.6
247.07497	1.7
248.04796	2.1
249.05486	5.1
249.09288	2.2
250.06163	3.7
250.08629	3.2
251.06963	3.7
252.07857	5.6
253.08546	4.4
255.10132	4.7
256.07315	2.9
261.05530	1.8
262.06232	1.9
263.07037	10.1
264.07816	3.0
265.04965	4.6
265.08563	7.2
266.09393	1.5
267.10226	9.2
268.07208	1.4
269.11691	1.9
277.05032	1.7
278.05759	3.1
278.08670	1.0
279.06479	1.8
279.09930	2.3
280.07178	2.2
280.10135	1.1
281.07877	5.4
282.08554	1.8
282.11432	2.0
283.09647	3.8
285.11224	2.6
290.05646	1.7
291.06528	4.2
292.07199	7.1
293.04456	5.4
293.08029	6.2
295.09644	7.2
296.10324	1.5
297.11258	9.8
298.11969	21.3
299.09058	3.7
299.12250	1.9
305.08173	2.1
306.05173	2.0
306.08710	1.1
307.09601	1.7
308.06781	43.4
309.07425	3.4
309.11371	1.2
310.10983	4.8
311.08862	1.2
312.12384	5.0
313.10757	1.6
314.13815	3.3
317.04343	3.0
319.05923	4.4
319.09467	2.2
321.07538	4.4
323.09122	26.1
324.09534	3.4
325.10275	7.4
332.06845	4.3
333.07684	1.3
335.09241	3.5
338.13986	1.8
339.08771	3.5
341.12573	2.4
349.07089	12.2
349.10779	5.7
351.08591	37.7
352.08981	3.6
366.09601	2.4
367.09689	2.2
375.08600	12.3
379.09882	1.7
381.07526	1.9
413.10211	1.4
417.15146	1.4
427.11801	1.4
428.12329	3.3
432.17761	2.4
439.11688	3.1
445.15317	1.9
456.11990	8.4
460.17456	15.0
461.18265	2.5
462.19266	1.4
471.14261	1.6
472.17273	2.4
473.16077	7.1
481.12640	2.0
486.15363	35.0
487.15564	2.4
488.17050	38.0
489.17233	3.5
499.13901	26.7
512.16925	6.6
517.20081	5.8
610.24365	10.4
611.24603	2.1
623.16223	1.1
623.24036	12.3
624.24158	2.7
636.22192	38.6
637.22797	4.8
773.29761	4.2
774.31512	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	773.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.7
55.05511	3.5
57.03446	1.7
57.07070	0.7
59.04994	1.1
59.55542	0.7
61.02934	5.6
61.52600	0.7
63.56934	0.7
65.03951	0.8
67.05508	6.4
69.03450	3.4
69.07095	2.2
71.04998	5.7
71.57804	0.7
73.02930	3.2
79.05495	6.5
81.03422	6.9
81.07065	6.7
83.04992	2.1
83.08627	2.2
85.02909	3.9
85.06561	1.4
87.04485	1.1
91.03995	1.8
91.05473	6.2
93.07056	6.5
95.04987	3.2
95.08646	3.3
97.02894	5.7
97.06575	1.2
98.22610	2.7
99.04494	1.6
101.02390	1.3
105.07030	4.1
107.04987	3.4
107.08620	4.1
109.06532	0.9
109.10188	1.0
111.04479	1.8
111.08125	1.1
117.07070	2.1
119.08566	4.7
121.06535	2.1
121.10149	4.3
123.08116	2.4
125.09654	1.9
127.03912	1.8
127.07525	0.8
129.07034	2.0
131.08559	4.0
133.06485	0.8
133.10182	3.0
135.08101	1.4
135.11749	1.5
142.07918	0.9
143.08600	1.8
145.10175	3.4
147.08112	2.1
147.11719	2.6
149.09692	3.4
155.08618	1.1
157.10188	2.4
159.08138	0.9
159.11786	1.0
163.11272	2.3
165.09111	0.9
167.10747	2.1
171.11798	1.4
173.09676	2.0
175.11153	1.0
189.11209	0.9
191.10783	1.3
193.12355	1.6
196.12219	0.8
203.14470	1.0
211.13185	0.9
215.14421	0.8
227.12784	1.6
229.06209	0.8
233.15408	0.8
235.17030	1.0
243.08316	4.2
267.15955	1.2
273.18472	0.8
283.15314	3.5
291.19601	1.2
295.15439	2.5
338.43802	0.8
339.17715	1.2
342.02814	0.8
351.17816	0.8
501.23056	13.2
502.23608	1.0
513.23029	8.3
514.23328	1.5
540.33966	1.4
558.35059	5.0
559.36450	1.0
576.36658	1.5
773.39325	100.0
774.39679	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	3.8
67.05521	9.7
69.07071	5.5
70.76451	2.9
73.02908	4.9
73.81828	2.7
78.50372	3.0
79.05506	11.0
81.03439	3.3
81.07053	7.5
85.02925	4.0
85.08047	2.8
85.38636	3.0
91.05510	4.2
93.07093	4.5
95.04959	3.2
95.08644	3.1
97.02910	6.2
100.23816	3.5
105.07040	4.9
107.08610	6.7
108.51533	2.5
111.68874	2.6
141.72855	2.8
184.07396	4.9
194.21930	3.1
243.08519	4.6
273.81586	3.2
465.21252	6.4
497.91553	3.6
531.28351	3.3
773.40698	100.0
774.40588	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	773.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.05515	4.8
57.03434	3.2
57.07061	0.8
61.02918	5.9
65.03960	0.7
67.05507	13.1
67.05843	1.1
68.05857	0.7
69.03427	4.2
69.05088	5.0
69.07070	3.0
71.01366	1.0
71.04995	1.7
73.02908	3.4
74.60822	0.5
77.03901	0.6
79.05496	10.8
81.03425	4.0
81.07059	14.7
81.07525	0.8
83.04991	1.9
83.08611	4.0
85.02901	6.0
85.06511	0.7
86.09744	0.7
91.03947	2.9
91.05486	11.4
92.05828	0.8
93.07049	11.5
95.04984	4.1
95.08616	7.4
97.02886	5.4
97.06550	1.4
97.10146	0.7
99.04475	1.0
101.02376	1.5
103.04012	0.8
105.07038	7.3
106.07379	0.8
107.04975	2.2
107.08591	5.8
108.08958	0.7
109.02892	0.8
109.06572	1.7
109.10158	4.5
109.52207	0.7
111.08101	1.3
117.07047	2.0
119.08583	4.3
121.06538	1.2
121.10122	3.1
123.08036	1.2
125.09683	0.7
127.03918	1.3
129.07040	2.4
131.08597	2.2
132.08897	0.7
133.10147	6.0
134.10448	0.8
135.08115	1.0
135.11720	1.9
143.08536	1.1
145.10156	2.3
147.08044	0.6
147.11670	3.5
149.09622	1.0
149.13295	1.3
151.11200	0.9
157.10243	0.8
159.11775	1.4
161.09659	0.9
161.13338	0.8
165.12863	0.6
171.11794	2.7
173.13382	0.6
181.58061	0.7
184.07401	1.8
185.04237	0.9
189.12810	0.8
193.12363	1.4
218.19968	0.6
225.11327	0.9
229.14496	0.6
243.08368	3.6
243.21335	0.7
247.13052	1.7
269.17490	3.6
270.17953	1.6
275.20197	2.1
276.20471	1.2
299.14932	3.9
313.17813	0.7
331.18961	2.7
335.25824	4.5
344.53586	0.8
349.23926	1.7
350.24301	1.9
451.19147	0.7
465.20969	14.7
465.27185	1.0
466.21402	1.5
531.25824	2.2
543.35840	1.4
544.37024	5.9
549.26807	4.5
559.36511	1.8
576.39752	4.2
675.33801	3.0
755.39923	12.9
756.40228	2.4
773.40729	100.0
774.40967	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05514	4.0
55.51992	0.4
56.05822	0.3
57.03428	2.2
61.02934	3.8
63.71610	0.3
65.03963	0.6
67.05505	7.5
67.30851	0.4
68.05836	0.6
69.03434	3.3
69.07072	4.7
69.46989	1.9
71.01357	0.4
71.05000	1.3
73.02922	3.0
79.05499	7.5
81.03410	2.6
81.07056	8.1
83.04995	1.7
83.08636	2.4
85.02908	4.5
85.06578	0.7
91.03967	2.1
91.05479	6.9
92.05821	0.5
93.07047	5.6
95.04981	1.8
95.08601	3.7
97.02897	4.8
97.06536	0.7
97.10184	2.1
99.04469	0.9
101.02374	2.0
105.07040	5.5
106.07364	0.4
107.04968	1.1
107.08588	2.6
109.06528	1.1
109.10174	1.6
111.04507	0.6
111.08092	0.6
115.05506	0.4
117.07034	1.7
119.08582	3.3
121.06541	1.0
121.10172	1.2
123.08121	1.2
123.11720	0.4
124.46336	0.4
125.09671	1.6
127.03954	1.8
129.07030	1.9
131.08568	1.2
133.06479	0.5
133.10143	3.0
134.10451	0.6
135.08067	0.5
135.11681	1.0
143.08601	0.8
145.10179	1.6
147.08113	0.5
147.11720	2.6
149.13235	0.6
153.09129	0.4
157.10066	0.5
159.11719	0.5
161.09685	0.6
161.13292	1.0
163.11223	0.6
171.11736	1.2
175.14954	0.5
175.91003	0.4
180.30051	0.4
184.07368	0.6
185.04240	0.8
188.20766	0.4
189.12839	0.5
203.05260	0.6
207.13837	0.7
210.82132	0.4
223.13362	1.8
243.08374	3.4
247.13161	0.8
247.88821	0.4
291.19617	1.8
299.14957	0.7
303.15826	0.7
315.84982	0.4
331.18896	1.4
335.25891	0.8
349.23975	0.6
387.21371	0.6
465.21051	9.1
466.21423	0.9
495.21500	0.4
541.35706	0.6
544.37042	0.8
549.26733	6.9
550.27277	0.9
551.56830	0.6
559.36407	0.9
576.39752	0.7
612.27380	0.5
666.80597	0.5
708.49640	0.4
773.40784	100.0
774.41150	19.2
774.55463	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	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.8
55.05510	38.6
57.03434	22.8
57.07079	9.0
60.08152	3.4
61.02920	18.5
65.03934	4.4
65.46093	3.3
67.05505	100.0
68.05840	5.3
69.03415	11.7
69.07071	33.0
71.04990	6.5
71.08604	3.9
73.02905	8.4
79.05494	78.3
80.05817	4.3
81.03413	11.7
81.06589	4.9
81.07056	91.3
83.04964	3.8
83.08620	12.2
85.02908	19.8
85.06513	4.4
86.09709	9.6
88.17368	3.0
91.03948	10.3
91.04969	5.4
91.05486	68.3
93.07046	75.9
94.07371	4.1
95.04958	16.5
95.08607	60.7
97.02895	15.0
97.06507	4.6
97.10145	5.1
105.04516	4.8
105.06381	4.9
105.07031	60.8
107.04907	5.3
107.08588	37.4
109.06496	7.4
109.10166	27.9
111.08047	4.0
115.05485	3.1
117.07002	21.8
119.08582	44.7
120.08936	4.4
121.06525	3.9
121.10148	27.6
123.08120	4.3
123.11732	3.9
124.99978	5.5
125.09621	3.5
127.03948	4.4
128.06213	5.2
129.07008	20.7
131.08572	40.7
133.06438	3.6
133.10121	39.2
134.10469	4.9
135.08076	3.8
135.11685	18.3
143.08575	14.3
145.10132	26.5
147.11693	26.2
149.09584	5.0
149.13269	8.3
157.10161	18.1
159.08029	3.6
159.11726	24.1
161.13275	18.3
165.12828	4.5
169.10098	10.4
171.11673	17.0
173.11842	4.6
173.13261	13.2
175.11137	4.0
175.14873	10.6
177.12617	3.4
183.11655	9.4
184.07343	27.0
185.13277	7.8
187.14763	8.9
189.12767	3.5
195.11707	7.7
197.13257	7.7
199.14799	4.6
201.16444	4.3
213.16418	5.3
229.49487	3.5
231.21021	5.0
241.19553	11.6
257.18887	5.5
259.20526	20.1
261.22040	6.3
267.11160	3.7
275.20102	5.5
295.22794	3.8
315.23224	5.5
333.24277	17.9
335.25784	32.7
337.27585	4.2
413.17624	9.5
497.30551	6.2
519.41309	3.3
611.46655	45.6
612.46997	5.9
614.48920	7.9
628.49072	3.8
632.49225	21.1
641.44513	4.1
669.41669	63.6
670.41614	10.2
701.47003	4.6
719.47949	4.1
758.88422	3.4
773.43481	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.4
55.05515	36.2
57.03442	16.8
57.07080	10.3
61.02933	18.3
61.38255	3.8
61.70803	3.7
67.05508	96.4
67.19623	4.3
69.03416	8.1
69.07071	34.1
70.95888	10.0
71.04987	5.7
71.25471	4.0
73.02917	5.3
79.05498	84.9
81.03429	11.0
81.07063	100.0
82.07384	5.9
83.04997	5.6
83.08624	16.9
85.02894	15.6
86.09715	6.4
91.03925	5.6
91.05480	71.2
93.07054	86.0
95.04982	15.7
95.08616	63.1
97.02916	12.8
97.06547	6.3
97.10175	9.4
105.07026	58.8
107.08605	45.3
109.06576	7.8
109.10160	23.1
111.08089	5.0
117.07027	27.3
119.08588	59.7
121.04618	4.1
121.10159	37.8
123.08060	4.5
123.11703	10.5
124.99995	5.8
125.09662	5.0
129.07025	17.0
131.08569	46.1
133.10124	38.1
135.11708	23.5
141.06969	5.5
143.08591	18.3
145.10109	37.0
147.11703	39.1
149.13295	13.9
155.08614	6.3
157.10159	19.9
159.08134	6.2
159.11673	22.2
161.13301	28.1
161.55988	3.9
163.14857	5.1
169.10147	8.0
171.11713	21.8
173.13257	19.6
175.14795	12.5
181.10226	5.6
183.11665	11.4
184.07341	22.3
185.13275	14.2
187.14867	9.9
195.11633	5.7
197.13261	8.9
199.14871	11.0
211.14777	7.7
231.21072	4.9
241.19504	17.5
243.21130	5.9
257.19080	7.7
259.20575	48.4
307.28265	7.7
333.24283	25.4
335.25891	53.6
336.26050	4.2
450.65604	4.3
506.39117	8.8
519.41565	5.2
542.39526	4.9
593.45764	8.8
611.46747	81.5
612.46753	12.6
632.49310	4.5
773.51154	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.8
55.05514	29.6
57.03439	18.6
59.04996	1.8
60.03179	2.0
61.02914	4.8
65.03939	3.5
67.05508	51.8
69.03433	8.5
69.07066	24.1
70.44041	3.0
71.04999	8.1
79.05497	55.6
79.05968	2.8
81.03423	57.8
81.07061	100.0
82.07369	2.6
83.04988	20.0
83.08618	32.2
85.02905	27.6
85.06532	7.3
86.09712	4.2
91.05487	56.7
93.06470	3.2
93.07047	43.2
95.04978	35.5
95.08612	35.1
97.02901	4.6
97.06523	13.4
97.10167	6.2
103.62755	1.9
105.07037	44.3
107.04979	15.4
107.08604	26.7
109.06530	24.8
109.10162	7.9
111.04474	3.9
111.08110	11.4
111.13126	1.9
113.06013	3.2
117.07030	8.5
119.08598	38.1
121.06517	5.7
121.10156	22.5
123.08067	9.4
123.11707	6.3
124.99998	3.2
125.09634	7.2
129.07018	8.9
131.08578	20.0
133.06503	4.8
133.10118	24.8
135.08044	4.6
135.11702	10.6
137.09569	5.3
139.11165	2.2
142.07785	3.4
143.08560	3.8
145.09088	2.6
145.10130	15.3
147.08035	5.5
147.11702	25.6
149.09619	12.9
149.13260	5.8
151.11188	2.9
157.10150	15.8
159.11688	10.3
161.09657	2.6
161.13225	2.8
163.11197	10.4
163.14769	2.3
165.12767	7.5
169.10173	2.4
171.11760	3.5
173.13289	5.3
175.11168	15.8
177.12747	3.9
184.07372	20.0
189.11238	3.1
193.12248	39.5
206.47772	2.0
211.13295	52.0
211.15184	4.2
212.13640	2.9
222.89838	1.8
223.13306	5.7
227.12808	2.5
229.19553	3.1
236.75732	1.9
239.18018	2.6
247.20540	4.3
257.19031	5.0
267.15915	40.5
268.16287	2.3
269.17474	10.1
273.18686	3.1
275.20065	61.0
276.20422	2.3
285.16980	89.0
286.17197	3.7
291.19583	4.6
293.21118	14.7
349.23761	33.4
350.23911	4.1
367.24799	25.8
463.10745	2.5
467.31464	4.5
479.30240	2.8
485.32675	2.8
507.95804	2.1
541.35254	41.0
542.35828	4.4
559.36279	61.9
560.36395	8.5
577.37292	47.5
578.37592	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.8
55.05280	4.3
55.05516	57.7
57.03426	16.4
59.86440	3.5
61.02927	6.0
65.03940	4.4
67.05508	73.0
69.03412	7.2
69.07076	24.4
71.04981	6.8
73.85094	3.6
79.05493	62.3
81.03424	76.1
81.07063	65.3
83.04992	28.8
83.08617	60.6
85.02902	33.3
85.06525	5.6
86.09703	10.5
91.05486	69.2
92.05818	4.1
93.07042	56.7
94.19585	3.9
95.04976	79.7
95.08595	35.2
97.02895	6.4
97.06550	10.6
97.10163	16.1
99.08122	4.3
105.07028	60.7
107.04944	23.9
107.08599	41.9
109.06524	19.3
109.10152	15.0
111.04461	12.5
111.08073	13.1
117.07021	15.1
119.08576	40.1
121.06541	9.1
121.10141	27.4
123.08060	9.8
123.11741	5.0
124.99963	8.8
125.09628	12.3
129.07040	11.7
131.08562	20.1
133.06531	7.9
133.10159	28.8
135.08029	9.4
135.11711	11.5
141.07047	3.7
144.08932	3.8
145.06519	4.6
145.10098	18.8
147.08055	6.8
147.11671	24.7
149.09631	37.1
151.11182	7.6
157.10135	16.8
159.11761	10.4
163.11212	34.8
165.12744	9.6
171.11667	4.1
173.09686	3.6
175.11208	20.2
177.12805	4.1
184.07329	42.7
189.11240	12.3
193.12253	50.8
205.12027	4.1
211.13293	75.3
212.13687	3.8
223.13322	38.6
242.68935	4.7
257.18936	10.6
267.15939	47.9
269.17511	5.8
275.20047	72.5
285.16962	100.0
286.17340	7.4
293.21103	38.7
349.23743	34.6
367.24838	37.2
479.29373	5.6
489.22165	5.1
541.35193	23.8
559.36322	64.8
560.36481	8.8
577.37415	70.6
578.37634	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.1
55.05516	51.6
57.03444	20.9
57.07077	1.8
61.02918	3.2
65.03940	4.9
67.05507	72.3
69.03439	14.0
69.07071	33.1
69.56795	8.3
71.04997	9.1
73.02920	1.8
79.05499	82.9
81.03423	70.5
81.07063	79.1
82.07397	3.0
83.04977	22.6
83.08626	39.0
85.02901	22.8
85.06526	2.7
86.09717	3.6
91.05488	73.9
92.05795	2.7
93.06471	3.1
93.07048	52.4
95.04974	38.1
95.08607	32.0
97.02902	8.8
97.06536	21.5
97.10178	38.2
99.04494	1.9
103.20264	1.8
105.04560	2.2
105.07034	60.5
106.07388	2.5
107.04957	19.1
107.08605	65.9
109.02906	3.2
109.06528	12.7
109.10155	19.6
111.04437	3.5
111.08083	14.1
113.05967	2.9
115.05461	2.1
117.07017	13.3
119.08592	42.5
121.06503	6.8
121.10142	20.9
123.08030	9.9
123.11726	6.6
125.06036	1.8
125.09626	33.1
127.03912	2.6
129.06998	14.8
131.08574	32.9
133.06522	5.2
133.10139	31.8
135.08072	7.8
135.11707	10.6
137.09618	5.1
142.07793	4.4
143.08562	6.5
145.10117	23.2
147.08047	6.9
147.11697	31.3
149.09622	28.9
149.13277	3.4
150.06326	2.1
151.11169	5.8
153.09117	4.0
155.08609	2.1
157.10135	18.9
159.11696	10.2
161.09645	3.0
161.13266	4.7
163.11214	10.7
165.09200	2.8
165.12776	4.2
169.10162	4.9
171.11682	3.9
173.11819	3.0
173.13283	6.0
175.11174	18.7
177.12769	4.0
179.14323	3.2
181.12350	1.9
183.11768	3.6
184.07417	11.8
185.13208	4.0
187.11172	2.8
189.11259	17.4
193.12248	47.9
194.12604	3.7
195.13860	2.5
197.13251	2.6
203.14391	2.2
211.13289	67.7
212.13622	4.3
223.13329	2.4
227.12796	72.8
228.13116	3.7
229.19524	4.7
239.17972	2.6
245.13943	3.9
255.16034	2.1
257.18958	11.3
267.15903	42.7
268.16309	2.6
269.17474	6.4
273.18369	3.3
275.20096	64.8
275.23029	4.1
276.20331	4.6
285.16959	60.8
286.17413	5.0
291.19574	2.6
293.21161	7.9
331.22705	3.8
349.23724	54.5
350.24191	5.4
367.24689	8.6
419.24509	2.5
431.29407	2.3
437.25449	5.4
449.30020	1.8
455.26520	8.1
459.27444	3.1
461.28806	2.6
463.30206	2.7
467.31244	2.5
477.28564	2.5
479.29904	2.8
507.52258	2.2
523.34351	3.5
541.35236	45.1
542.35376	6.5
559.36255	100.0
560.36737	17.4
577.37482	18.7
599.30194	2.1
760.82770	2.1
775.38818	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01824	1.8
55.01879	7.7
55.05513	31.1
57.03442	19.8
61.02926	3.5
63.87176	1.6
65.03934	3.6
67.05505	65.8
67.94563	1.7
69.03435	8.0
69.07071	26.6
70.41921	1.7
70.76807	2.5
71.05006	6.5
79.05498	60.2
80.72768	1.7
81.03424	63.8
81.07058	100.0
82.07383	3.1
82.97522	1.8
83.04986	19.8
83.08625	29.5
85.02912	25.4
85.06540	5.5
91.05486	60.5
92.05781	2.6
93.07045	64.2
94.77602	1.8
95.01354	1.7
95.04968	30.6
95.08606	29.2
97.02903	7.4
97.06540	15.9
97.10160	10.8
99.08123	4.2
103.05475	1.9
105.07042	39.6
106.07386	1.9
107.04962	12.6
107.08597	39.6
107.09287	2.8
108.08862	2.6
109.06519	15.0
109.10168	10.4
111.04442	5.7
111.08088	13.2
112.93578	1.7
115.05450	2.5
117.07003	18.1
119.08589	35.0
121.06510	5.4
121.10150	22.8
123.08073	8.2
123.11690	4.6
125.05951	2.2
125.09650	9.6
129.07031	15.2
131.08575	24.4
133.06494	4.7
133.10136	25.9
135.08061	5.8
135.11664	14.8
137.09634	5.4
137.13235	2.2
142.07767	3.1
143.08582	2.9
145.10141	14.5
147.08067	7.4
147.11703	22.8
149.09618	16.7
149.13257	16.1
150.13585	2.0
153.12790	3.1
154.07063	2.0
155.08592	2.2
157.10124	16.2
159.11685	13.8
161.09647	5.6
161.13214	2.3
163.11188	10.7
165.12778	5.6
169.10182	3.9
171.11768	2.0
173.04515	1.7
173.09650	2.6
173.13278	5.1
175.11211	15.4
177.12791	5.9
181.12323	3.2
183.11797	1.7
184.07330	2.2
189.11241	5.8
193.12244	32.9
195.13832	8.6
211.13284	45.5
211.15157	3.2
212.13638	4.5
223.13382	3.7
224.86417	1.8
227.12776	7.0
229.19525	2.1
249.14752	3.2
255.15968	5.0
257.19025	5.0
267.15942	26.9
269.17490	52.0
270.17816	3.7
273.18533	11.0
275.20084	19.0
276.20297	2.1
285.16965	48.0
286.17517	2.9
291.19589	18.5
293.21091	4.5
347.22299	4.4
349.23825	14.4
365.23288	10.1
367.24829	5.3
379.14160	2.2
439.27020	3.1
447.27438	4.4
452.71732	2.3
461.28915	21.0
465.28510	11.4
479.30063	50.6
480.30362	8.3
541.35712	11.7
559.36279	44.4
560.36658	5.5
577.37250	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17168	1.4
55.01880	11.0
55.05515	40.5
57.03445	21.9
61.02925	5.1
64.50072	1.7
65.03934	3.8
67.05508	76.7
69.03435	9.7
69.07070	32.7
71.01370	1.7
71.04987	10.1
73.02934	1.9
79.05497	69.9
81.03421	71.7
81.07062	100.0
83.04987	29.3
83.08624	33.0
85.02908	27.5
85.06541	4.8
91.05486	84.9
92.05807	1.6
93.07047	58.7
94.07392	2.5
95.04967	41.5
95.08614	32.7
97.02923	10.2
97.06532	19.0
97.10176	10.2
98.22583	4.4
99.04479	3.4
99.08085	3.1
103.05511	2.0
105.04537	2.8
105.07039	52.3
107.04962	15.8
107.08597	32.9
109.02898	3.1
109.06527	13.6
109.10147	13.0
109.77066	1.8
111.04453	3.8
111.08083	12.8
113.06023	3.0
115.05439	5.1
116.06194	2.1
117.07029	14.7
119.08590	40.8
121.06499	4.8
121.10150	22.1
123.08063	6.9
123.11696	5.4
125.05942	1.7
125.09644	6.3
127.03893	2.3
127.07618	2.0
129.07018	16.1
131.08580	35.5
133.06490	5.3
133.10139	33.3
133.11082	3.5
135.08049	3.6
135.11697	9.8
137.09624	7.0
141.07030	3.1
142.07811	4.8
143.08557	3.6
145.06502	3.1
145.10135	15.1
147.08051	5.1
147.11696	27.3
149.09639	18.5
149.13264	9.5
151.11205	3.3
152.18385	2.1
152.42792	1.6
155.08528	3.3
157.10144	17.2
159.11719	13.2
161.09622	2.0
161.13217	3.0
163.11183	11.4
165.12779	4.4
169.10126	3.0
171.11647	2.8
173.09624	2.9
173.13307	3.2
175.11185	18.3
177.12743	3.6
179.14343	3.7
183.11780	2.8
184.07295	2.4
185.13251	2.7
185.60751	1.5
189.11237	3.4
193.12233	48.3
194.12567	2.5
195.13768	3.0
197.13245	3.8
211.11256	3.3
211.13298	68.6
212.13673	3.2
223.13287	2.2
227.12849	5.2
229.19647	2.1
239.17926	3.5
255.15918	8.2
257.19077	8.8
267.15909	35.1
268.16260	2.7
269.17493	25.3
275.20096	27.3
285.16956	61.2
286.17389	1.9
291.19394	3.5
293.21109	2.5
299.19617	1.9
331.22699	2.0
349.23691	21.1
349.48917	1.7
350.24200	2.9
367.24747	5.6
447.27283	7.0
461.28934	19.1
462.29004	3.1
465.28433	14.1
466.28760	2.1
479.30017	55.4
480.30283	4.3
541.35284	9.7
542.34186	1.9
559.36316	28.0
560.36487	3.4
577.37286	10.9
607.89807	2.2
775.38690	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	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.3
57.03444	11.0
57.07070	3.3
59.26553	1.9
61.02929	3.6
65.03934	2.7
67.05509	58.0
68.05843	2.5
69.03444	5.0
69.07073	16.3
70.03749	1.7
71.04992	26.2
71.85959	1.8
73.02917	3.2
79.05500	41.8
80.05824	2.5
81.03428	4.0
81.07060	70.6
83.04990	5.2
83.08651	10.0
83.11020	1.8
85.02914	7.1
85.06551	6.1
86.09689	2.7
91.03971	1.8
91.05486	49.9
92.05812	1.9
93.07048	45.3
95.04976	8.0
95.08616	29.8
97.02906	3.5
97.06544	6.8
97.10166	3.6
105.07037	43.2
107.04962	2.8
107.08597	24.7
109.02872	2.1
109.06521	3.9
109.10161	14.6
111.08097	4.1
117.06998	10.8
119.08583	29.6
120.08895	2.3
121.06586	2.5
121.10150	19.0
121.45124	2.1
123.08105	2.3
123.11737	8.7
125.09669	4.5
127.03903	2.7
129.07050	6.7
131.08575	18.9
133.10138	34.0
133.11064	2.9
134.10481	2.7
135.08113	1.9
135.11671	11.2
137.09656	2.6
143.08606	7.2
145.10135	15.7
147.11696	19.5
149.09636	3.0
149.13293	6.2
151.11166	9.1
153.12784	2.4
155.08548	2.9
157.10161	9.3
159.11732	14.7
161.09583	1.9
161.13268	11.9
163.11224	4.4
169.12193	2.0
171.11716	7.6
173.11938	2.1
173.13316	8.2
175.14854	4.3
177.12874	2.2
181.10226	2.0
183.11734	3.1
184.07397	5.4
185.13248	4.5
187.13333	3.5
187.14807	2.3
195.13846	3.7
197.13365	3.2
199.14929	4.0
211.14902	2.0
241.19611	6.1
243.08473	2.7
243.15948	3.5
257.17429	4.2
259.20615	18.0
267.16092	3.2
269.17496	5.4
273.22098	2.3
280.04211	1.9
293.84866	1.9
301.20068	17.7
315.23459	4.3
333.24323	18.4
335.25912	4.2
409.31128	3.6
423.33203	2.2
435.32944	2.9
453.33661	1.9
465.20956	3.5
465.27316	2.2
466.21439	4.3
483.34842	3.9
501.28326	2.5
501.35730	52.5
502.35971	5.4
527.37384	33.8
528.37805	3.5
533.38123	4.6
541.36133	2.6
545.38104	4.5
549.27313	2.2
557.36163	2.1
559.40399	16.4
577.39661	2.7
724.45416	2.1
774.41138	100.0
775.41302	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05514	19.6
57.03444	18.5
57.07080	3.4
64.81947	1.5
65.03950	2.5
67.05513	61.3
69.03411	3.0
69.07072	13.6
69.65001	1.2
69.84503	6.0
71.01372	1.7
71.04993	3.2
79.05501	45.2
81.03426	87.9
81.07066	57.1
83.04978	6.4
83.08632	19.9
85.02916	2.1
85.06538	2.8
90.15764	1.4
91.05489	35.6
93.07052	40.7
94.07401	2.2
95.04980	27.5
95.08615	43.2
96.08953	1.7
97.02910	2.3
97.06506	4.0
97.10171	6.2
99.08101	1.7
105.06370	2.8
105.07035	28.2
107.04974	8.8
107.08600	26.8
109.06524	3.2
109.10157	17.2
111.08094	6.9
115.05451	1.7
117.07015	6.2
119.08589	24.4
120.26957	1.3
121.06525	2.1
121.10152	17.4
123.08073	3.0
123.11722	6.7
125.09620	4.7
129.07008	9.7
131.08572	19.9
133.06485	2.7
133.10147	13.8
135.08044	1.9
135.11707	11.9
137.09601	3.1
142.07797	2.7
143.08626	2.4
145.10120	9.6
147.08055	2.2
147.11719	16.8
149.09644	5.7
149.13321	6.6
157.10139	10.9
159.11707	6.5
161.13252	6.0
163.11172	2.7
163.14906	2.0
165.05252	1.5
165.12799	1.8
169.41417	1.2
171.11714	2.6
173.13281	4.0
175.11197	7.4
175.14874	3.4
185.13281	2.3
187.14792	3.4
189.11220	3.7
193.12241	18.7
205.12346	1.8
206.74866	1.7
227.12802	5.4
230.91951	1.5
243.21040	4.7
249.14966	3.4
259.13409	1.4
261.22134	17.9
267.15927	100.0
268.16241	6.4
279.23462	1.7
301.25293	5.8
303.23050	1.6
309.16983	1.8
317.24863	2.4
335.25845	81.1
336.26221	4.7
341.41113	1.3
421.26031	2.1
435.27246	2.7
435.32849	6.6
453.33469	9.4
471.34668	4.0
509.36032	2.2
527.37347	61.3
528.37390	6.1
545.38373	47.4
546.38513	4.2
552.65820	1.8
559.39935	1.8
569.38281	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
55.05518	13.8
57.03445	14.3
58.44723	1.5
65.03947	2.2
67.05510	46.9
69.07077	9.7
70.53643	4.0
71.05001	4.7
79.05498	33.6
81.03423	66.4
81.07063	43.3
82.03762	1.9
83.04977	4.2
83.08626	18.5
85.06556	1.9
91.05476	23.9
93.07051	30.4
95.04971	22.6
95.08611	30.1
97.06549	3.2
97.10184	7.4
105.07037	18.2
107.04966	4.6
107.08589	19.3
109.06508	2.2
109.10170	14.9
111.04504	1.8
111.08102	4.8
115.05447	1.9
117.07029	5.6
119.08584	19.5
121.06504	3.4
121.10151	18.7
123.08045	2.0
123.11719	4.9
125.09621	3.1
129.07027	7.5
131.07724	2.3
131.08563	11.8
133.06471	2.9
133.10138	11.0
135.08000	2.2
135.11734	9.8
137.09650	2.9
137.13193	2.3
142.07831	1.8
143.08600	3.0
145.10135	7.4
147.08099	2.2
147.11679	11.8
149.09630	4.5
149.13275	4.4
157.10141	8.3
159.11705	6.9
161.13274	5.4
163.14816	3.2
165.12788	2.3
171.11673	2.7
173.13293	4.3
175.11255	9.2
175.14835	2.3
185.13295	2.6
189.11246	3.8
193.12250	18.4
194.12672	2.0
206.25998	1.8
227.12825	6.8
243.21080	5.2
249.14818	2.9
261.22086	14.5
267.15921	100.0
268.16275	4.1
271.00436	1.7
289.21490	1.9
301.14130	1.7
301.25311	7.2
307.10361	1.6
335.25833	79.9
336.26151	6.7
403.24890	2.1
421.26337	2.1
431.61731	1.8
435.32602	6.3
449.28784	2.1
453.33536	4.7
471.34796	3.6
517.07361	1.7
527.37390	53.1
528.37585	5.9
545.38416	36.3
546.38599	1.8
569.37982	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	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
55.05513	21.0
57.03447	16.1
57.07068	1.5
59.21397	1.4
65.03946	1.7
67.05508	57.1
69.03426	2.7
69.07076	13.5
71.04992	3.5
79.05497	38.6
81.03419	77.1
81.07057	53.0
81.73365	1.5
82.03722	1.8
83.04993	4.7
83.08611	21.3
83.25109	1.4
85.06582	2.0
88.75755	1.4
90.25977	1.3
91.05482	29.7
93.07046	46.6
95.04979	23.4
95.08611	38.9
97.02913	3.5
97.06549	5.2
97.10180	6.1
98.23433	3.5
99.08143	2.1
101.98482	1.5
105.07040	23.3
107.04974	5.5
107.08600	26.6
109.06541	4.9
109.10162	20.4
111.08081	6.8
115.05458	2.6
117.06980	7.6
119.08585	21.5
121.06547	3.1
121.10149	23.1
123.08051	3.9
123.11707	8.3
125.09657	3.7
129.06969	8.6
131.08557	16.7
133.06506	3.4
133.10127	12.4
135.08095	2.0
135.11671	13.3
137.09601	2.8
143.08492	1.9
145.10129	10.2
146.10614	1.4
147.08025	2.9
147.11693	13.0
149.09656	5.8
149.13286	9.4
157.10152	9.6
159.11681	7.8
161.13274	5.4
163.11279	2.6
163.14891	4.1
173.13292	6.5
175.11206	7.2
175.14865	4.0
185.13368	2.4
187.14893	3.9
189.11253	4.5
191.14316	1.5
193.12244	24.5
201.16406	1.5
205.12210	1.6
205.89000	2.0
211.13293	2.2
227.12596	6.9
243.21164	6.2
249.14951	4.0
259.13312	1.8
261.22147	22.3
262.22568	2.7
267.15918	95.7
268.16312	5.9
279.23193	1.9
301.14569	2.3
301.25262	7.0
317.24924	4.5
335.25812	100.0
336.26047	9.0
403.24655	2.3
421.26123	2.1
435.27435	2.6
435.32623	3.3
453.33521	8.3
471.34787	3.7
473.67914	1.8
527.37335	60.8
528.37909	8.1
545.29889	2.1
545.38397	40.9
546.38580	6.1
559.40033	3.2
569.38489	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	775.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.8
57.03437	1.8
61.02935	4.4
62.24419	0.6
67.05517	3.7
69.03439	3.3
69.07085	1.5
71.04999	4.2
71.06300	0.6
73.02921	3.8
78.06557	0.7
79.05499	4.0
81.03424	6.0
81.07053	4.2
83.08611	1.4
83.34979	0.7
85.02906	4.9
86.09763	1.0
87.04483	1.0
91.03947	2.2
91.05500	5.9
93.07047	3.4
95.04983	2.7
95.08632	2.1
97.02885	4.9
97.06527	0.8
101.02406	1.1
105.07017	3.6
107.08620	1.7
109.06547	0.8
111.08093	1.1
119.08621	2.8
119.86898	0.7
121.10158	2.1
123.08128	1.0
124.99980	0.7
129.07063	1.0
131.08620	2.2
133.10129	1.5
147.11713	3.7
149.09685	2.1
157.10187	1.7
165.12830	1.3
175.11191	1.2
184.07384	3.7
193.12323	2.9
232.55537	0.8
243.08502	3.1
260.01459	0.7
265.14188	1.0
267.16226	0.9
283.15137	3.8
387.50320	0.9
483.22208	1.6
501.23007	11.5
502.23431	1.2
515.24664	6.8
516.25433	1.1
743.35974	0.9
775.40833	100.0
776.41486	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	775.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.3
55.53913	2.3
61.02940	2.9
67.05517	8.9
69.21386	11.3
69.21786	3.7
73.02918	4.0
79.05508	9.3
81.07071	9.3
83.04968	3.0
83.08607	3.1
85.02887	4.2
89.10616	2.3
89.68986	2.0
91.05505	5.5
92.81667	2.1
93.07072	8.6
95.08651	4.1
96.32510	2.5
97.02895	4.4
105.07076	3.5
106.51003	2.0
107.08620	3.0
109.10160	3.0
119.08530	3.0
121.10143	3.2
129.07045	2.4
131.08607	3.8
133.10159	4.5
141.55421	2.1
147.11745	2.6
179.49815	2.2
203.05623	2.3
243.08499	4.8
246.56506	2.1
281.88391	2.2
335.25912	3.2
442.76370	2.2
465.21207	11.0
551.28369	5.7
561.38818	2.2
742.54828	2.4
744.13037	2.4
775.27972	5.0
775.42340	100.0
776.43011	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05513	2.7
57.03436	2.3
61.02931	4.8
66.00064	0.4
67.05508	7.3
69.03430	3.6
69.07074	2.8
69.07643	3.1
71.01351	0.9
71.04990	0.8
73.02921	3.5
74.29162	0.4
79.05499	7.7
81.03425	2.7
81.07059	7.9
83.04999	1.7
83.08630	1.4
85.02901	3.9
85.06571	0.5
86.09742	1.0
91.03963	2.5
91.05482	7.2
91.06014	0.6
93.07052	6.2
95.04984	2.5
95.08587	4.1
95.09067	0.4
97.02894	4.2
97.06548	1.3
97.10186	0.8
99.04458	1.0
101.02392	1.7
105.07050	4.9
107.04971	0.9
107.08605	2.3
109.02901	0.9
109.06540	1.0
109.10166	1.2
111.08075	0.8
117.07050	1.4
119.08603	3.1
119.45834	0.4
121.10182	1.7
123.08101	0.6
123.11752	0.6
125.00050	0.9
127.03951	1.2
129.07054	1.4
131.08595	1.1
133.10144	1.6
135.11681	1.1
145.10159	1.6
147.11691	2.1
149.13310	0.5
159.11656	0.6
161.13362	0.7
163.11185	0.5
170.32785	0.4
171.11757	0.9
184.07298	4.5
185.04314	0.9
189.27510	0.4
191.48376	0.5
212.76489	0.4
243.08360	3.9
247.13251	1.0
267.16080	0.6
275.20151	0.6
279.92145	0.5
303.15704	0.8
333.20261	2.0
334.20715	0.5
367.24722	0.5
388.15393	0.4
439.19742	1.4
453.21069	1.0
465.20996	9.4
466.21268	0.9
529.35498	0.5
551.28229	6.4
641.44647	0.5
677.35425	0.7
775.42383	100.0
776.42731	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	775.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05524	1.8
56.16347	0.3
57.03432	1.3
61.02928	5.0
67.05507	4.8
69.03443	2.8
69.07068	2.8
70.45499	0.9
71.01342	0.4
71.05006	0.7
73.02923	4.0
79.05496	6.2
81.03416	2.2
81.07060	7.1
82.40196	0.3
83.05002	0.9
83.08636	1.1
85.02905	3.1
87.04485	0.5
87.86459	0.4
91.03964	2.7
91.05488	4.8
93.07047	4.5
95.04979	1.2
95.08624	2.7
97.02901	4.0
97.06549	1.1
99.04456	0.8
99.08109	0.6
100.19691	0.4
101.02395	1.7
104.10761	0.5
105.07030	3.1
107.04945	1.0
107.08626	1.7
109.02880	0.8
109.06561	0.8
109.10168	1.2
111.08094	0.5
115.03968	0.5
117.07043	1.1
119.08599	2.3
121.06549	0.6
121.10138	0.8
123.08066	0.7
123.11719	0.6
125.02095	0.4
127.03951	1.3
129.07045	0.9
131.08614	1.1
133.10167	1.9
135.11705	0.5
135.94304	0.4
143.08594	0.4
145.10178	1.0
147.11688	2.6
149.13380	0.4
161.13197	0.5
163.11296	0.5
165.12787	0.6
171.11760	1.4
173.13327	0.4
185.04219	0.8
195.56030	0.4
203.05330	0.4
207.13840	0.4
221.33153	0.4
243.08408	4.3
247.13132	1.5
275.20242	0.5
281.17517	0.6
301.08865	0.6
303.15924	0.8
307.29355	0.3
333.20435	2.5
389.22986	0.5
390.87936	0.4
423.19904	0.9
425.21817	0.7
465.21017	10.5
465.27188	0.8
466.21512	0.6
481.20703	0.8
551.28314	7.9
552.28564	0.6
647.33905	0.9
767.73322	0.4
775.42377	100.0
776.42664	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	775.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.1
55.05516	44.1
57.03436	4.1
57.07087	14.1
62.87783	1.4
67.05209	3.8
67.05511	35.4
69.07075	43.8
70.07429	1.7
71.05015	2.5
71.08641	9.1
74.74138	1.4
79.05502	26.3
80.05908	1.3
81.03435	3.2
81.07062	64.6
82.07404	2.0
83.04981	6.2
83.08624	32.8
83.76334	1.6
85.02885	1.8
85.06564	1.9
85.10204	3.0
86.09727	2.5
87.80710	1.2
91.05468	19.7
93.07045	22.7
94.87998	1.6
95.04984	9.6
95.08609	24.9
97.06551	7.5
97.10175	17.2
98.22611	4.9
98.98476	8.2
99.04443	2.1
99.08096	3.1
105.07040	23.4
107.04967	5.5
107.08601	16.4
109.06535	11.6
109.10160	10.0
111.04494	1.7
111.08131	3.6
111.11735	3.6
117.07008	7.1
119.08588	17.4
121.06548	2.2
121.10133	11.4
121.10808	1.3
123.08097	5.4
123.11719	5.6
129.07019	2.7
131.08572	8.0
133.10133	10.2
135.08083	3.6
135.11705	5.5
143.08528	1.5
145.10092	6.7
147.11693	12.7
149.09633	3.9
149.13289	4.4
151.11214	1.8
153.12653	1.3
157.10204	3.1
158.21252	1.3
159.11765	4.6
161.13332	2.3
163.11205	6.1
163.14874	2.0
165.12715	2.7
171.11937	1.4
173.13380	1.6
184.07411	4.8
187.14868	1.6
223.13397	2.3
229.19582	3.8
237.22128	6.7
239.17998	1.9
247.20544	1.4
257.19016	3.3
267.15997	1.4
275.20087	26.0
291.19653	5.1
292.19586	1.4
293.21182	12.3
308.29306	1.5
311.25787	15.9
313.27466	4.1
314.66101	1.2
349.23758	14.8
433.91550	1.6
434.42606	1.2
585.45160	41.6
586.45410	8.8
603.46216	100.0
604.46490	12.7
623.20471	1.5
790.81055	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	776.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05516	1.7
56.05023	0.8
57.03430	0.8
58.06592	0.6
60.08169	6.9
61.02917	0.6
65.03927	0.5
67.05507	8.2
69.03434	0.5
69.06062	2.7
69.07069	2.3
71.04990	2.6
71.07378	3.4
79.05492	3.5
81.03407	1.2
81.07064	5.0
83.04964	1.1
83.08630	1.0
85.02909	0.7
86.09708	31.5
91.05482	4.0
93.07050	4.3
95.04965	1.3
95.08587	2.0
97.02843	0.4
97.06535	1.0
98.98469	3.0
104.10741	3.2
105.07037	2.1
107.04949	1.0
107.08595	2.2
107.47770	0.4
109.06542	0.8
109.10157	4.7
111.04463	0.3
117.07034	0.8
119.08567	2.5
121.06515	0.9
121.10141	1.0
125.00009	20.4
129.06989	0.4
131.08553	1.2
133.10136	1.6
135.11649	2.0
137.09628	1.1
141.31239	0.3
145.10091	1.1
147.11693	0.8
149.09668	0.5
149.13249	0.5
157.10117	0.5
159.11723	1.0
163.11209	0.9
171.11705	0.4
173.11691	0.8
181.12347	0.5
184.07347	100.0
185.07718	2.3
193.12236	0.4
255.15900	0.8
257.18906	0.4
267.16028	0.6
269.17627	0.4
275.20111	1.1
287.18591	1.4
349.23676	0.9
351.25168	0.4
423.27359	1.8
432.05847	0.4
435.27213	1.4
437.28735	0.7
449.28885	1.3
481.31699	2.7
482.31860	0.5
503.33621	2.5
504.33176	0.5
529.35059	0.9
543.36041	0.5
561.37360	1.2
597.35675	0.8
726.31012	0.6
726.43359	9.7
727.44067	1.7
776.43219	0.4
777.39722	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	776.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.9
55.05511	39.3
57.03446	14.5
57.07081	9.9
60.08179	5.0
65.03945	7.7
67.05508	100.0
69.03431	10.6
69.07070	34.6
70.11154	3.4
70.57301	7.2
71.04984	8.6
71.88741	3.9
73.02968	3.4
75.48744	3.5
79.05499	76.4
81.03432	9.3
81.07059	92.6
83.04991	18.5
83.08611	17.7
85.02916	11.9
85.06559	8.7
86.09724	20.3
91.05486	63.8
93.07042	100.0
95.04952	20.8
95.08617	60.5
97.02920	10.5
97.06532	10.2
97.10181	8.3
98.98509	3.9
99.08183	4.0
105.07036	62.7
107.04970	9.7
107.08583	56.3
109.06536	8.8
109.10162	37.6
111.04470	10.0
117.07036	27.9
119.08591	80.7
121.06522	7.4
121.10149	53.9
123.08096	11.5
123.11731	14.5
125.00011	11.5
125.09668	5.8
128.06239	5.5
129.07042	11.1
130.07787	4.7
131.08578	37.9
133.10143	45.3
135.08089	11.6
135.11694	41.5
137.09604	6.3
139.11209	10.4
142.07770	8.9
143.08600	21.5
144.09343	7.2
145.10129	52.0
147.08069	11.8
147.11690	21.5
149.09650	13.2
149.13297	6.2
151.07562	16.6
151.11182	4.9
155.08583	8.1
156.09308	6.2
157.10147	25.3
158.10812	4.1
159.11723	30.7
161.09621	4.5
161.13297	14.1
163.11212	16.3
163.14902	4.2
165.09157	13.2
167.08627	4.4
167.10748	5.5
169.10143	15.8
170.10870	5.1
171.11673	21.1
173.09622	7.1
173.11847	5.6
173.13165	17.5
175.14874	14.4
181.12253	13.8
183.11633	17.8
184.07368	51.9
185.13293	14.6
187.14905	6.3
189.12767	8.4
191.10747	17.5
191.14389	6.8
195.11722	7.8
197.13293	11.1
199.14732	4.6
201.12813	5.8
201.16437	12.2
203.14359	6.3
207.11833	5.5
207.13782	7.2
209.11694	36.5
209.13376	6.7
211.14790	6.8
219.17479	8.3
221.13379	7.1
221.15439	19.5
223.14825	5.2
227.12816	12.8
229.14339	7.2
234.88203	4.7
241.14381	10.7
259.20444	5.2
261.22009	8.9
261.60034	3.5
265.19446	5.4
275.20010	4.3
283.15445	22.6
284.15854	3.4
285.21954	4.1
286.19482	4.0
293.21146	4.0
301.16449	40.2
303.23129	6.2
315.23233	4.9
335.25815	55.5
352.24075	6.0
353.64044	3.7
365.25055	5.6
387.94272	3.6
469.33197	4.3
487.23154	6.8
501.35794	5.1
504.36108	20.6
525.36115	5.6
543.36841	25.4
544.36938	4.2
561.37866	28.1
584.41980	12.5
624.95740	4.2
658.78137	3.7
759.44531	19.2
776.40936	5.5
777.43671	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.1
55.05523	22.8
57.03439	11.5
61.02937	3.3
65.03950	2.6
67.05509	100.0
68.05827	3.4
69.03436	4.5
69.07069	20.5
70.27464	2.0
71.05001	26.7
72.11797	1.7
79.05502	47.0
81.03421	10.2
81.07061	96.3
83.04996	9.7
83.08622	18.4
85.02914	7.2
85.06548	5.0
86.09699	4.4
91.05486	52.3
92.05807	3.0
93.07050	50.3
95.04977	12.5
95.08618	35.6
97.02865	4.1
97.06545	13.8
97.10173	4.7
99.08095	3.1
105.07040	33.0
106.07338	2.2
106.94820	2.0
107.04978	8.5
107.08603	29.5
108.18587	1.8
109.06525	22.7
109.10164	54.0
111.04438	3.0
111.08093	6.9
117.07027	11.0
119.08588	35.7
121.06525	7.8
121.10150	19.0
123.08093	8.0
123.11714	7.0
124.99969	2.3
125.09602	3.7
127.03907	2.2
129.07056	6.5
131.08557	13.6
133.10136	27.6
135.08078	6.2
135.11716	22.7
137.09644	13.1
139.11229	3.1
143.08598	4.4
145.10124	15.8
146.10490	2.1
147.08054	3.4
147.11688	19.7
149.09659	9.5
149.13295	7.0
151.11183	3.6
155.08551	3.0
155.10658	4.4
157.10162	7.2
159.11670	9.0
161.09622	3.1
161.13290	4.6
163.11203	11.4
163.14830	2.4
165.12787	7.5
169.12236	3.8
171.11713	4.2
173.11778	8.4
173.13321	5.1
175.11278	2.7
175.14926	2.1
177.12775	4.0
181.12206	4.2
183.11693	3.3
184.07343	17.5
185.67125	2.2
187.11191	2.2
193.12297	1.9
195.13905	2.6
197.13322	2.2
207.13716	2.0
211.13312	5.1
229.14392	14.3
229.26964	3.2
237.14835	2.0
239.18011	2.6
243.08414	2.8
243.15886	3.2
247.20543	4.5
253.14337	5.0
255.15863	16.6
257.19070	3.1
267.15988	5.8
269.17477	9.4
275.20105	49.8
276.20511	3.5
287.18536	35.2
288.18951	1.9
293.21170	6.5
301.21674	3.6
349.23767	23.8
367.24792	14.2
375.25061	2.4
401.20944	2.6
423.27304	3.0
431.22281	2.0
463.30371	2.6
503.33612	54.9
504.33600	4.7
511.34286	4.1
517.35083	5.8
521.34778	11.8
529.35260	55.4
530.35413	8.2
535.36304	7.3
543.36633	8.9
547.36285	35.3
548.36456	5.6
561.29272	2.1
561.37823	40.2
562.38232	7.5
566.19800	2.0
579.30310	2.4
579.39105	13.4
759.39105	2.2
764.26917	2.7
776.41296	13.1
777.39514	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
55.05515	40.2
57.03440	14.4
57.07066	1.5
59.05000	3.4
61.02925	5.6
63.22021	1.4
65.03948	3.4
67.05507	100.0
68.05817	2.8
69.03439	3.1
69.07076	17.8
70.34802	3.0
70.35195	2.8
71.04995	5.2
79.05492	47.9
81.03426	6.9
81.07059	58.2
83.04985	5.1
83.08626	13.7
85.02915	15.9
85.06542	3.2
87.04472	6.5
91.05481	22.8
93.07043	43.0
94.07368	1.7
95.04972	4.9
95.08608	42.8
97.02892	3.0
97.06525	4.3
97.10172	19.6
99.08115	1.5
105.07039	14.9
107.04923	2.2
107.08596	26.8
109.02831	1.4
109.06534	3.3
109.10159	53.8
111.04482	1.7
111.08080	5.6
113.09633	1.4
117.07053	7.3
119.08587	14.8
121.10146	18.2
123.11698	3.3
124.56216	1.3
125.09635	19.2
129.07050	2.5
131.08582	8.3
133.10143	11.7
133.31148	1.5
135.11713	12.9
137.09654	3.2
139.11183	3.0
143.08594	1.7
143.10670	4.2
145.10126	9.1
147.11679	6.0
149.09671	2.2
149.13229	7.3
155.10680	2.4
159.11707	5.4
161.13251	6.5
163.11182	4.3
163.14764	1.9
171.11668	2.2
173.11746	14.5
173.13252	4.4
184.07387	3.2
187.14830	3.0
191.10571	1.7
193.12274	2.1
199.13278	10.8
209.11743	1.9
227.12859	5.6
229.14349	36.4
230.14764	2.8
243.21191	2.8
245.13884	2.8
259.20551	3.1
261.22159	13.4
267.15872	3.2
283.15463	2.1
301.16400	11.2
317.24673	1.9
335.25797	62.3
336.26120	5.5
345.77359	1.6
380.03595	1.7
412.48825	1.5
453.04187	1.5
459.34845	2.1
477.35800	5.4
489.35501	10.6
543.36890	3.4
561.37360	5.5
631.70941	1.6
684.62305	1.6
776.41296	3.1
777.43317	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	776.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
55.05276	1.6
55.05519	19.1
57.03442	15.0
57.07080	2.7
65.03950	2.3
65.06795	1.0
65.86868	1.0
67.05509	49.5
68.05827	1.3
69.03424	2.4
69.07074	24.0
71.04983	3.3
71.08636	1.1
79.05502	22.1
81.03424	73.8
81.07063	51.7
83.05000	6.4
83.05409	1.2
83.08622	24.4
85.02893	2.3
85.06543	1.5
86.09707	5.3
89.51141	1.1
91.05483	19.2
93.07053	20.1
95.04981	21.4
95.08611	39.5
97.02903	3.8
97.06544	4.8
97.10183	9.8
99.08090	2.6
105.07035	16.0
107.04952	5.6
107.08604	12.3
109.06548	3.9
109.10161	15.4
111.08081	7.2
117.07045	1.5
119.08591	16.5
121.06468	2.7
121.10133	11.6
123.04462	1.4
123.08115	2.2
123.11710	5.9
125.00028	4.3
125.09654	2.6
129.07013	7.9
131.08571	9.5
133.06493	2.7
133.10138	8.6
135.11713	4.7
137.09631	2.1
137.13271	2.0
142.07777	1.7
145.10139	3.4
147.08070	2.5
147.11707	9.5
149.09601	3.1
149.13257	3.2
157.10135	10.0
159.11646	2.2
161.13287	2.2
163.11177	2.6
163.14806	2.1
165.12756	2.2
175.11182	7.7
175.14865	1.8
184.07376	17.9
185.13390	1.0
189.11285	1.8
190.51373	1.1
193.12213	18.0
196.85716	1.1
201.05244	1.0
211.13339	2.7
223.13358	1.4
227.12810	2.7
245.22694	3.1
249.14978	2.8
263.23679	5.9
267.15918	100.0
268.16306	4.6
289.21637	1.6
303.26764	2.7
309.17047	2.9
337.27380	71.4
338.27814	3.7
437.34317	1.9
455.34995	6.0
473.36545	3.0
529.38904	68.3
530.39270	9.3
547.39917	40.6
548.40076	5.6
561.41357	2.8
571.39453	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
55.05515	24.6
57.03445	20.2
57.07076	4.8
61.02923	1.5
65.03937	2.0
67.05511	52.6
69.03419	1.5
69.07077	24.1
70.89583	2.0
71.05003	3.4
71.08648	1.8
72.81072	1.7
79.05499	25.8
81.03423	80.2
81.07061	56.9
83.05005	5.6
83.08635	23.4
85.02920	1.6
85.10182	1.4
86.09718	1.6
91.05482	24.6
93.07051	19.4
95.04970	20.0
95.08613	39.8
97.02879	3.2
97.06533	4.5
97.10178	12.0
97.39452	1.1
99.08084	1.3
105.07040	17.0
107.04925	5.8
107.08604	13.5
109.06532	3.6
109.10173	16.5
111.08102	7.7
117.07056	2.9
119.08586	18.7
121.06571	2.8
121.10162	12.1
123.08041	1.7
123.11715	7.1
124.99994	1.3
125.09630	2.6
129.07028	11.4
131.08543	9.6
133.06509	2.2
133.10112	7.7
135.11702	3.9
137.13194	2.9
142.07793	1.5
142.61024	1.3
145.10153	3.6
147.08073	3.4
147.11685	12.2
149.09671	4.4
149.13277	2.3
151.11128	1.2
157.10178	9.0
159.11748	1.3
161.13266	4.6
163.09929	1.2
163.11169	2.6
163.14836	2.5
165.12767	2.4
175.11166	8.2
175.14798	2.2
184.07306	5.8
189.11235	1.9
189.16414	2.0
193.12256	21.7
227.12827	2.2
245.22736	3.3
249.14926	2.6
263.23758	6.4
267.15921	100.0
268.16278	5.3
303.26889	1.9
309.17072	3.0
337.27371	88.7
338.27783	7.6
385.05124	1.4
437.34079	3.6
455.35181	5.9
473.36304	2.7
529.38904	74.6
530.39154	10.0
547.39929	38.8
547.48328	1.7
548.40259	5.8
571.39471	1.7
686.54907	1.3
776.42621	1.9
794.06165	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	777.366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05535	0.4
69.69840	1.8
73.61263	0.5
81.07070	0.7
116.18521	0.6
183.49770	0.6
267.09189	1.8
285.10083	1.2
334.78015	0.4
445.31644	0.6
485.17020	0.9
517.20551	1.7
563.90942	0.5
590.74713	0.5
646.26422	0.6
673.34192	0.7
727.44672	0.8
777.36682	100.0
778.36975	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.4
55.05424	0.7
57.03333	1.0
57.03638	0.6
59.04913	0.6
61.02814	3.6
61.03164	1.0
67.05385	4.3
67.05784	1.2
69.03309	2.0
69.06974	0.6
69.07283	0.3
71.04881	0.9
73.02795	2.7
77.91529	0.3
79.05366	1.9
81.03288	2.6
81.06917	2.0
83.04865	0.4
83.08506	1.0
83.08949	0.3
85.02769	3.9
85.03325	0.7
85.06463	0.6
87.04381	0.4
88.23926	0.4
91.03812	1.8
91.05348	2.3
93.06904	1.6
93.07433	0.6
95.04831	1.2
95.08487	0.8
97.02744	3.0
97.06434	0.5
98.22596	1.0
99.04324	0.8
99.80255	0.3
101.02228	1.1
101.02821	0.4
103.03822	0.4
104.65083	0.3
105.06882	1.7
107.04843	0.4
107.08479	0.8
109.02773	0.7
109.06393	0.5
109.10004	4.9
111.08009	0.4
119.08419	1.3
121.06400	0.8
121.09980	1.6
127.03764	1.0
129.06905	0.7
131.08406	1.1
133.09976	1.2
136.06035	0.9
137.09435	0.4
147.11549	1.0
149.09596	2.2
157.10019	0.8
173.11732	1.9
175.11041	0.7
184.07205	0.5
185.04155	0.5
190.96555	0.4
193.12265	1.6
195.09804	0.9
203.05093	0.6
225.14650	0.6
229.14151	1.2
243.08423	2.0
251.12239	0.4
265.97427	0.4
267.15756	0.9
283.15164	3.9
316.17502	0.4
339.17767	1.1
413.17825	13.0
414.18155	0.8
469.20493	0.7
483.21893	0.4
499.21332	0.5
501.23056	13.6
502.23465	1.1
511.28271	0.8
519.33777	0.4
529.22632	0.5
616.37933	1.0
673.34088	100.0
674.34406	14.4
731.38293	0.7
759.37122	0.6
777.38867	11.8
778.39178	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	777.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.03428	1.8
59.05012	0.7
61.02928	4.2
65.03956	0.3
67.05503	6.4
67.63919	0.3
69.03419	1.9
69.07063	0.6
71.04991	1.3
73.02922	2.5
74.13203	0.3
77.01082	0.3
79.05486	2.0
81.03416	3.9
81.07047	2.8
83.04983	0.8
83.08607	0.9
85.02910	4.1
85.06558	0.7
86.09716	0.4
87.04468	0.6
91.03948	2.9
91.04984	0.4
91.05470	2.1
93.07035	1.5
95.04985	1.5
95.08617	1.3
97.02892	3.7
97.06533	0.7
99.04457	0.7
99.08141	0.3
101.02368	1.5
105.07025	3.0
105.98270	0.3
106.07392	0.4
107.08630	1.5
109.02876	0.7
109.06503	0.5
109.10157	6.4
111.04407	0.4
111.08109	0.5
119.08559	1.5
121.06515	0.8
121.10141	1.4
127.03935	1.1
129.06992	0.7
131.08575	1.6
133.10158	1.3
135.08148	0.3
135.11760	0.4
136.06204	0.6
137.09604	0.5
145.04947	0.4
147.11714	1.3
149.09627	1.2
157.10143	1.0
163.11238	1.1
168.16240	0.3
173.11731	1.5
175.11214	0.8
183.06631	0.3
184.07396	1.3
185.04254	0.5
193.12335	1.2
195.09962	0.7
203.05240	0.7
211.88226	0.3
225.14839	0.8
229.14453	0.9
233.11440	0.5
243.08354	2.2
251.12480	0.4
266.42822	0.3
267.15903	1.5
283.15234	4.2
301.21713	0.3
313.42639	0.3
339.17923	0.8
413.17822	12.5
414.18338	0.7
469.20572	0.7
501.23038	11.3
502.23279	0.8
511.28470	0.6
614.36145	0.6
615.37286	1.4
616.37805	0.7
673.34033	100.0
674.34412	12.5
687.34894	1.2
731.37781	0.5
745.36487	0.4
759.37659	1.2
777.37738	9.4
778.38977	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	777.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
55.05520	1.0
57.03438	2.5
59.05013	1.0
61.02929	5.7
63.03628	0.4
67.05505	4.3
69.03429	3.7
69.07085	1.9
70.28945	0.4
71.05000	1.9
73.02913	4.0
79.05496	5.1
80.90811	0.5
81.03424	5.7
81.07056	4.3
83.04989	0.9
83.08640	1.1
85.02911	4.9
85.06552	0.8
85.40768	0.5
87.04484	1.1
91.03944	2.9
91.05489	4.9
93.07052	5.3
93.36344	0.5
93.67728	0.5
95.04993	1.9
95.08632	1.6
97.02905	4.9
97.06549	2.0
99.04454	1.3
101.02412	1.9
103.03989	0.5
103.05470	0.4
105.07047	3.1
107.05013	1.0
107.08608	2.1
109.02918	1.0
109.06544	0.7
109.10165	0.8
111.08094	1.2
117.05544	0.6
117.07069	0.5
119.08608	1.7
121.06516	3.3
121.10155	4.9
122.10489	0.5
123.11716	0.5
125.05975	0.6
127.03949	1.6
127.42558	0.5
129.07033	0.9
131.08569	2.4
133.10194	1.8
135.11725	0.9
136.07637	0.4
137.09602	0.6
138.80666	0.4
139.11194	0.5
145.10170	1.3
147.11737	1.4
149.09668	2.0
157.10193	1.4
163.11235	0.6
167.10693	0.6
175.11234	1.5
193.12306	1.8
225.15007	0.9
233.11485	0.6
243.08432	4.2
248.40410	0.5
262.10645	0.5
267.12103	2.6
267.15982	1.2
272.33621	0.5
283.15143	4.4
284.15387	0.6
299.14905	1.3
339.17935	0.9
394.67307	0.5
425.18002	0.6
427.19495	0.8
439.19748	0.7
443.19040	0.9
457.20193	2.3
469.20636	0.7
485.19876	5.1
499.21097	0.8
501.16074	0.5
501.23065	14.2
502.23660	1.9
517.22607	3.2
557.62128	0.5
640.18121	0.6
673.29108	1.0
699.36926	0.5
717.36438	1.6
745.36188	10.5
746.36603	2.0
759.37274	1.5
777.38733	100.0
778.39221	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	777.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58423	0.4
55.01880	1.2
55.05518	3.1
57.03433	2.9
57.33489	0.5
61.02937	4.0
67.05508	9.8
68.05864	0.9
69.00912	4.1
69.03434	2.5
69.07076	4.6
71.01369	0.9
71.04982	2.8
73.02918	3.4
79.05491	6.7
80.05832	1.0
81.03412	2.9
81.07059	10.5
82.07413	1.1
82.14928	0.4
83.05005	2.2
83.08614	2.9
85.02914	4.8
85.06560	0.8
86.09711	4.1
91.03958	3.1
91.05487	6.3
93.07043	7.6
94.07394	0.6
95.04961	2.8
95.08591	4.6
97.02898	4.2
97.06564	1.9
97.10226	0.5
98.23384	1.1
98.98411	0.5
99.04464	0.9
101.02402	1.5
103.61652	0.5
105.07023	5.1
105.07561	0.5
107.04989	2.0
107.08588	3.9
109.02921	0.8
109.06547	1.8
109.10165	5.4
110.10492	0.6
111.08120	1.2
117.07034	2.4
119.08608	3.5
121.06544	1.0
121.10146	3.0
123.08089	1.4
123.11729	0.9
124.99992	2.7
127.03958	1.4
129.07031	0.8
131.08592	2.0
132.08900	0.7
133.10118	2.8
135.08072	0.6
135.11696	3.2
137.09647	1.0
143.08578	0.9
145.10138	2.9
146.10452	0.5
147.08063	0.5
147.11739	2.3
149.09662	1.5
159.11758	1.3
163.11148	2.8
169.10106	0.8
173.11813	0.5
173.13208	0.6
175.11226	0.5
181.12299	0.5
184.07362	12.2
185.04202	0.8
185.07750	1.5
227.12805	1.2
243.08411	3.4
249.11020	1.1
267.15750	0.7
275.20203	1.8
276.20425	1.1
287.18481	1.2
288.18881	0.8
333.20370	1.4
349.23981	0.8
350.24115	0.9
352.25162	0.6
423.19861	1.0
467.18866	8.7
469.20624	0.8
478.82047	0.6
481.31735	0.8
482.31909	1.0
485.20108	0.6
503.33264	0.6
504.34326	1.5
544.37396	0.9
551.28339	5.6
561.37122	0.7
562.37927	1.0
567.43109	0.6
615.35693	0.6
649.32654	0.6
759.39264	0.9
777.40167	100.0
778.40442	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
55.05518	5.0
57.03443	2.4
59.63747	0.4
60.08166	1.0
60.20409	0.6
61.02928	4.0
67.05512	9.8
67.05847	0.9
68.05870	0.9
69.03437	3.9
69.07070	3.4
71.01365	0.5
71.05000	2.1
71.07390	0.6
72.07755	0.5
73.02913	3.0
76.75525	0.5
79.05500	7.0
80.05836	1.1
81.03418	4.4
81.07066	11.0
81.07529	0.7
82.07391	0.7
83.04998	3.0
83.08629	3.3
84.08942	0.5
85.02917	4.5
85.06570	0.6
86.09716	4.6
86.63172	0.4
87.04478	0.8
91.03967	2.6
91.05486	7.5
92.05814	1.0
93.07040	6.9
94.07375	0.5
95.04967	3.8
95.08610	5.7
97.02900	3.9
97.06554	1.5
97.10175	0.6
97.94459	0.4
98.22559	0.9
98.98505	0.5
99.04484	1.2
101.02410	1.5
105.07043	5.6
106.07407	1.0
107.04987	1.7
107.08592	4.7
108.08996	0.5
109.02876	0.5
109.06512	2.4
109.10152	3.6
111.08099	1.8
117.07050	1.6
119.08587	3.9
120.08932	0.6
121.06538	0.9
121.10141	3.3
122.65062	0.4
123.08073	1.1
123.11726	0.5
123.96836	0.4
125.00014	4.4
125.09683	0.6
127.03959	1.7
129.07060	1.0
131.08594	2.2
133.10133	3.2
135.08118	0.5
135.11716	3.8
136.11980	0.5
137.09625	0.5
139.07446	0.6
145.10130	3.1
147.11749	1.8
149.09613	2.3
149.13240	0.6
157.10201	0.6
159.11726	0.5
161.09567	0.6
163.11186	3.6
164.11630	0.6
165.12773	0.5
173.11858	0.5
173.13289	0.6
175.11220	0.7
176.85016	0.6
181.12399	0.7
184.07353	15.7
184.08908	1.0
185.07787	1.5
193.12376	1.4
203.05447	0.5
211.13371	1.8
212.13617	0.8
223.13374	1.1
227.12880	1.8
229.22235	0.5
243.08421	3.3
243.16069	0.5
249.10994	4.8
259.08295	0.5
267.16037	1.2
275.20105	2.6
276.20444	0.9
277.21799	0.6
285.17142	1.8
286.17395	1.3
287.18460	0.9
293.21207	1.0
305.13763	1.9
313.08850	0.9
315.10602	0.5
333.20557	1.3
349.23718	0.7
352.25815	0.9
367.24924	0.6
370.26807	0.5
389.23248	0.7
423.20004	0.9
439.19739	0.5
467.18915	8.1
468.19382	0.8
469.20547	1.6
504.34161	1.5
522.35645	1.5
530.35828	1.4
536.36377	0.5
539.20984	0.7
543.36096	0.6
544.37097	1.7
548.36591	1.8
549.26733	1.4
551.28284	6.1
552.28650	0.8
561.37555	1.4
562.38116	2.8
579.38263	1.0
580.39386	2.6
649.20740	0.6
649.31555	0.8
777.40259	100.0
778.40521	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	777.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05506	2.9
57.03444	2.0
61.02937	4.1
61.82912	0.5
64.46023	0.6
67.05505	8.6
68.05817	0.8
69.03441	2.4
69.07063	1.6
69.51920	2.8
71.04998	2.1
73.02912	2.8
79.05493	4.9
80.05829	0.6
81.03411	3.4
81.07063	8.7
83.04995	1.1
83.08634	1.7
84.80614	0.6
85.02917	4.8
85.06561	0.7
86.09714	1.1
91.03974	1.9
91.05490	4.7
93.07040	4.5
95.04975	3.0
95.08601	3.8
97.02911	2.9
97.06544	0.9
97.10195	0.8
99.04467	1.1
101.02390	1.7
105.07030	4.5
107.04987	1.2
107.08585	2.1
109.06525	1.1
109.10165	3.3
110.06754	0.6
111.08057	0.8
117.07021	0.7
119.08620	2.5
121.10185	2.0
123.08101	0.6
125.09605	0.6
125.50226	0.5
127.04006	1.0
131.08621	1.8
131.54599	0.5
133.10101	3.3
135.11710	0.7
137.09660	0.6
145.10176	1.1
147.11705	1.9
149.09644	1.1
149.13353	0.6
155.61507	0.5
157.10191	1.4
163.11220	1.0
165.12791	0.9
184.07362	3.6
193.12343	1.6
211.13358	1.0
229.14366	1.0
240.09827	0.6
243.08408	2.7
244.08405	0.6
255.15846	1.2
275.20123	1.9
276.20621	1.6
287.18533	1.0
288.19092	1.0
313.17694	1.2
331.18994	2.0
349.23764	1.0
350.24292	0.9
467.19070	2.0
469.20477	7.1
503.33456	1.2
504.34262	2.4
505.35837	0.5
522.34930	1.1
530.35724	1.9
532.14734	0.6
544.37738	0.6
546.00714	0.6
548.36420	0.8
549.26398	1.3
551.27698	0.8
562.38324	2.4
580.38910	0.7
679.33295	1.7
759.38690	5.8
760.40131	0.8
777.39972	100.0
778.40088	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	777.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05513	2.8
56.13840	0.3
57.03437	2.9
57.07090	0.5
57.99775	0.4
59.05008	0.4
60.08158	0.4
61.02934	4.8
67.05500	6.8
68.20678	0.4
69.03429	2.7
69.07067	1.5
71.01361	0.7
71.04987	1.0
73.02921	3.1
73.52816	0.3
79.05499	4.5
81.03420	2.6
81.07057	5.7
83.04996	1.4
83.08633	0.9
85.02909	5.3
86.09709	2.5
91.03943	2.7
91.05488	3.0
93.07055	4.3
95.05002	1.2
95.08608	3.9
97.02894	4.5
97.06566	0.5
97.10165	0.6
99.04463	1.0
99.13997	0.5
101.02399	2.2
105.07054	1.8
106.07377	0.4
107.04971	0.7
107.08594	2.5
109.02861	0.8
109.06556	0.5
109.10168	1.9
111.04463	1.5
115.03909	0.6
117.07024	1.0
119.08602	1.7
121.10111	1.9
125.00049	1.7
127.03940	1.6
129.68015	0.4
131.08600	1.4
132.08902	0.4
133.10187	0.9
135.11707	2.0
137.09544	0.4
137.15019	0.4
145.10172	1.8
147.11729	0.5
149.13293	0.5
163.11205	2.0
173.09633	0.7
181.12317	0.6
184.07355	5.5
185.04266	0.5
192.51863	0.4
221.11525	0.4
223.13403	1.1
224.16443	0.4
227.34328	0.4
229.14380	0.6
243.08443	2.1
267.16040	0.7
268.16318	0.5
281.13538	3.9
335.26038	0.8
336.26248	0.5
337.16220	0.4
337.27396	1.2
499.21432	7.8
500.22049	0.7
519.29285	4.3
520.29602	0.7
528.37360	0.5
615.40863	0.6
745.41241	1.2
777.43927	100.0
778.29614	0.9
778.44183	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
55.05524	2.4
57.03456	2.1
57.07082	0.7
60.08179	0.5
61.02932	5.4
67.05513	6.3
69.03432	3.9
69.07059	1.1
71.01363	0.5
71.05022	0.9
73.02914	3.4
75.88077	0.4
79.05503	4.9
79.28746	0.5
80.05854	1.0
81.03413	3.6
81.07061	7.0
81.07465	0.6
83.05013	1.2
83.08644	1.0
85.02914	6.8
86.09731	2.0
87.04491	0.7
91.03971	3.3
91.05484	2.9
93.07057	5.6
95.05011	1.4
95.08625	4.6
95.09196	0.6
97.02901	5.5
97.06573	0.6
97.10186	0.7
98.22566	1.3
99.04492	0.9
101.02422	2.0
105.07069	2.1
107.04983	0.9
107.08617	3.1
109.02940	0.7
109.10184	2.0
110.10560	0.6
111.04507	0.9
111.08134	0.5
117.07049	0.8
119.08643	2.2
121.10140	3.0
125.00047	1.1
127.03977	0.6
129.07091	0.7
131.08607	1.0
133.10179	1.0
135.11734	1.6
145.10158	1.8
147.08022	0.6
147.11749	0.5
149.13284	0.8
157.10202	0.5
163.11287	1.7
169.27246	0.6
184.07376	7.9
195.47589	0.5
243.08502	2.1
250.70531	0.5
267.16043	1.2
268.16425	1.2
281.13626	4.7
295.17084	0.5
335.26053	1.5
336.26291	1.1
337.27509	0.6
499.21280	4.2
519.29285	8.6
528.37598	0.7
632.89935	0.6
774.68011	0.6
777.44025	100.0
778.44220	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	777.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05513	6.0
56.98011	0.8
57.03432	3.7
61.02924	4.8
65.03957	1.0
67.05505	18.6
67.05838	1.3
68.05862	1.7
69.03427	3.4
69.07076	3.9
71.01365	0.7
71.05000	4.6
71.08636	0.9
73.02929	2.8
73.30061	0.9
79.05491	11.4
80.05878	1.4
80.24514	0.7
81.03425	3.6
81.07058	14.8
82.07394	1.2
83.04988	1.7
83.08625	2.0
85.02915	6.2
85.06569	1.2
85.10233	0.7
86.09742	2.7
87.04506	1.0
89.98183	0.8
91.03986	2.7
91.05482	10.2
93.07044	10.8
93.07529	0.9
94.07386	1.0
95.05008	2.0
95.08610	8.1
96.08950	1.4
97.02898	3.8
97.06564	1.8
97.10188	2.4
98.98515	0.8
99.04463	1.0
101.02407	1.7
105.03415	1.5
105.07029	5.8
107.04971	2.1
107.08607	5.3
109.06548	0.8
109.10156	6.4
110.10535	0.9
111.08079	1.3
113.09662	0.7
117.07047	2.3
119.08634	3.3
121.10148	3.9
123.11781	2.2
124.76300	0.7
125.00037	1.9
125.09660	2.2
127.03931	1.3
129.06976	0.7
131.08582	3.9
133.10146	5.3
134.10509	0.7
135.11731	2.3
145.10204	2.7
146.56126	0.7
147.11739	2.0
149.09682	1.4
149.13345	1.3
151.11258	1.4
157.54286	0.8
159.11716	2.0
163.11263	2.2
165.12758	0.8
173.11797	1.0
173.13226	0.7
180.14674	0.7
184.07367	7.0
184.08702	0.7
199.13432	0.8
203.05429	1.0
209.11807	1.1
227.12947	0.7
229.14551	2.7
230.14711	1.6
243.08557	3.3
267.15869	1.5
275.19983	1.3
277.21762	1.4
293.21228	1.7
301.16721	1.4
315.19379	4.1
335.25854	4.5
336.26239	3.9
367.25046	1.3
453.21118	0.9
485.23605	9.6
485.30011	0.9
533.14941	0.8
533.27350	6.0
562.39063	1.1
593.80011	0.9
643.45795	1.4
661.46320	1.0
763.88678	1.0
777.43964	100.0
778.44336	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	777.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	20.1
55.05514	53.9
57.03443	7.8
57.07070	18.4
61.02960	3.4
64.40594	4.3
67.05180	7.3
67.05509	82.1
69.03424	9.2
69.07065	27.8
71.05004	5.0
71.08631	21.9
71.29236	5.0
79.05496	58.3
81.03416	18.8
81.07063	86.8
83.04977	26.3
83.08624	39.8
85.02908	7.0
85.06526	6.7
85.10179	40.4
86.09698	12.8
91.05483	47.3
93.07045	54.3
95.04984	44.0
95.08615	46.6
97.02922	4.5
97.06565	11.4
97.10181	23.7
98.98474	16.1
99.08102	12.9
104.10732	7.3
105.07030	51.8
107.04954	37.5
107.08593	46.9
109.06493	13.0
109.10172	37.4
111.04449	16.6
111.08086	18.5
113.09660	32.9
117.07028	13.5
119.08593	30.9
120.08946	4.4
121.06508	7.2
121.10165	24.4
123.08042	10.0
123.11706	7.2
125.00056	7.2
125.09635	18.4
129.07004	10.4
131.08568	17.4
133.10124	24.5
135.08029	8.3
135.11708	12.7
137.09601	5.1
143.08519	6.4
145.06503	4.4
145.10135	23.9
147.11700	18.3
149.09613	19.7
149.13290	9.1
151.07579	5.7
151.11156	8.5
153.09087	8.8
157.10114	10.7
159.11693	14.0
161.09616	7.1
163.11162	27.0
165.12756	50.9
167.10732	6.0
171.11629	7.8
173.13191	4.2
175.11266	4.8
177.12802	9.6
183.11615	4.2
184.07356	27.9
189.11229	8.9
205.15779	4.3
247.20607	4.1
259.20477	4.3
275.20041	33.1
276.20447	7.5
277.21631	60.5
293.21149	55.6
295.22672	92.2
296.23001	5.3
311.22324	4.2
331.22833	4.6
349.23743	13.6
351.25238	20.3
367.24652	25.1
369.26385	13.2
447.21979	4.3
515.42328	4.5
561.37592	4.8
571.78406	4.4
625.44678	8.6
643.45697	58.5
644.45996	8.5
661.46759	56.2
662.46747	12.1
679.48071	20.9
777.43152	100.0
778.41443	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	777.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.5
57.07069	34.7
67.05500	52.1
69.07078	26.9
71.08643	26.3
71.29971	11.6
79.05503	26.9
81.03439	12.6
81.07044	57.3
83.08624	38.1
86.09704	10.9
91.05456	14.7
93.07053	40.1
95.08620	49.6
97.10191	12.1
98.98495	22.8
101.08044	9.2
101.29607	10.1
105.07056	26.6
107.08601	30.3
109.10184	32.7
117.07062	16.1
119.08627	12.8
120.96637	9.5
121.06512	16.7
121.10152	21.6
125.00030	12.9
130.68623	8.7
133.10130	21.9
145.10141	12.1
163.11133	13.9
184.07341	38.9
223.13368	20.0
275.20087	30.8
293.21198	11.7
308.83682	8.9
313.27344	10.3
328.26727	10.1
381.29065	9.4
497.07715	11.9
587.46606	36.8
605.47699	100.0
606.48474	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	778.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
65.03939	1.5
68.17052	0.7
68.99783	0.8
69.03444	1.4
71.29951	0.8
79.05494	2.4
81.03406	1.7
85.02905	1.6
86.00121	0.6
87.63306	0.8
91.05485	10.0
95.04976	2.0
97.02869	1.1
102.04692	1.0
103.05475	21.5
104.05807	0.7
105.03403	2.3
105.07042	3.2
107.04975	3.1
109.06518	1.4
115.05432	3.9
117.07025	4.2
118.04156	4.9
119.04948	14.5
121.06490	1.7
122.03722	1.0
123.04418	1.5
123.08009	0.8
125.06001	1.2
129.06973	0.9
130.04153	1.4
131.04935	23.4
133.02855	4.5
133.06499	5.6
135.04419	1.4
135.08072	1.7
137.05981	10.6
143.04947	3.0
145.06487	4.7
146.03593	2.1
147.04398	11.3
148.05179	12.3
149.05959	1.4
151.03918	23.5
151.05022	2.2
151.07542	7.4
153.01848	1.1
153.05490	0.9
155.05978	1.0
159.04395	1.9
160.05215	3.9
161.05997	10.9
162.06731	3.6
163.03906	1.3
163.06242	1.5
163.07550	23.7
165.05498	1.7
167.07047	7.3
171.04405	1.2
173.05975	3.8
175.03790	0.8
175.07538	4.1
176.04707	6.0
177.05458	1.5
177.09091	0.8
179.03412	19.6
179.07027	18.9
179.08496	1.4
181.04964	2.6
187.03880	0.9
187.07588	1.1
189.05508	4.1
189.09119	0.9
190.06212	2.5
191.07040	100.0
192.07413	4.5
201.05450	2.5
203.07027	2.4
203.10440	0.8
205.06494	1.2
207.06474	1.0
207.08136	0.9
217.04930	1.6
219.06494	6.2
231.06589	1.9
233.08147	2.3
235.09671	0.9
237.09076	1.2
241.08530	1.4
247.05995	5.9
248.06694	1.3
249.07541	3.7
263.07028	1.4
265.08542	1.1
277.07059	4.4
295.09753	0.8
297.11316	0.8
299.09027	1.7
301.10696	0.9
323.08908	1.5
324.09393	0.7
341.10046	1.7
351.09222	1.0
355.11655	1.0
357.13266	0.9
369.09631	3.4
371.11243	1.2
383.11264	2.1
399.14078	1.0
401.12338	24.6
402.12903	1.7
405.07639	0.9
449.16107	1.3
531.16656	3.7
563.19324	1.8
604.79340	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	778.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.3
56.05036	0.8
56.96564	0.6
58.06392	0.2
58.06633	0.7
58.41488	0.2
60.08164	5.7
63.71898	0.2
65.03929	0.3
67.05506	0.7
69.03432	0.5
70.06594	0.8
71.04982	0.2
71.07378	3.2
71.29027	0.2
73.02930	0.6
79.05505	0.5
81.07058	0.9
85.02885	0.4
86.09708	28.7
87.10055	0.5
88.07639	0.7
91.05490	1.0
93.07048	0.4
95.04970	0.3
95.08608	0.6
97.02886	0.2
98.97574	1.4
98.98465	3.3
101.02404	0.2
102.09185	0.5
104.10750	2.3
105.07054	0.4
107.08604	0.3
109.10213	0.3
110.97588	0.5
112.99136	0.3
116.98671	0.5
125.00006	19.5
131.00179	0.6
131.08578	0.4
133.10152	0.2
134.99638	0.3
146.62296	0.2
147.11841	0.3
149.01242	0.5
149.02325	2.9
149.03453	0.4
149.09558	0.3
158.99652	0.4
170.99667	0.4
177.00624	0.5
178.12852	0.2
184.07347	100.0
185.07686	2.0
189.00703	0.6
193.04987	1.6
193.12305	0.3
219.01628	0.3
228.23218	1.9
261.02835	0.3
279.03983	0.4
293.05453	0.6
311.06415	0.5
317.17767	0.3
321.04871	1.5
437.09735	0.4
455.10638	0.6
469.20325	0.3
577.13196	0.9
710.43958	5.5
711.44366	1.2
715.31543	0.7
778.40894	4.5
779.42078	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.3
57.03444	14.6
57.07079	9.0
60.08181	6.7
65.03937	1.7
67.05507	25.6
69.03435	2.9
69.07072	27.0
71.04999	2.7
71.07376	7.2
71.08635	4.3
72.52320	1.4
76.01763	1.2
79.05498	19.3
81.03421	64.2
81.07056	29.5
83.04998	5.7
83.08626	30.5
85.10195	3.4
86.09712	38.6
86.10235	1.7
91.05484	14.7
93.07058	12.0
95.04982	20.4
95.08605	21.6
97.02938	2.0
97.06535	3.1
97.10176	9.6
98.98464	4.4
104.10771	2.0
105.07027	10.3
107.04958	4.6
107.08604	9.3
109.06496	3.1
109.10171	9.4
111.08079	6.6
111.11701	2.1
117.07064	2.4
118.90173	1.2
119.08609	9.2
121.06532	1.5
121.10142	9.3
123.04450	1.5
123.11747	2.5
125.00006	27.9
125.09637	1.7
129.07033	8.0
131.08575	7.8
133.06450	3.2
133.10127	3.4
135.11710	5.1
142.07788	2.5
145.10153	2.3
147.08055	1.7
147.11676	6.0
149.09627	2.7
149.13309	2.8
152.43738	1.4
157.10143	6.0
158.10489	1.5
165.09540	1.4
172.46381	1.4
175.11201	4.9
184.07347	100.0
185.07703	2.1
193.12259	18.7
222.33136	1.2
228.83022	1.7
247.24263	1.3
250.93567	1.3
265.25339	2.4
267.15921	85.6
268.16342	3.7
302.34097	1.5
305.80630	1.5
309.16949	1.9
339.28946	71.6
340.29306	5.2
457.36411	2.9
477.60947	1.5
531.40472	63.0
532.41010	7.6
549.41791	8.9
587.46527	2.5
630.41205	2.7
663.78345	1.6
672.17596	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	778.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05516	17.5
57.03442	12.9
57.07080	6.7
60.08163	6.4
61.02911	0.9
61.46610	0.8
65.03940	1.1
67.05507	19.2
67.05842	1.6
69.03410	1.7
69.07073	20.8
69.14251	2.8
69.14664	4.0
71.04996	2.4
71.07364	4.4
71.08633	3.7
79.05499	13.1
81.03421	60.9
81.07060	22.4
83.04988	3.6
83.08624	26.2
85.02898	0.9
85.06554	1.6
85.10180	2.1
86.09711	32.4
91.05478	11.3
93.07053	12.0
95.04974	15.4
95.08611	19.9
95.09168	1.7
97.02884	2.2
97.06536	3.5
97.10188	11.0
98.98468	2.8
99.08128	0.9
104.10744	1.8
105.07037	8.6
107.04938	5.1
107.08595	7.7
109.06554	1.4
109.10155	6.8
111.04418	1.3
111.08084	5.1
111.11723	2.6
115.05483	0.9
117.07030	0.9
119.04992	1.5
119.08601	7.3
121.06482	1.2
121.10145	12.5
123.11711	1.9
123.70679	0.9
125.00015	19.7
125.00880	1.7
125.09657	2.4
126.85394	0.8
129.07004	7.4
131.08575	7.0
133.06491	1.9
133.10156	2.7
135.11705	6.7
137.09621	1.1
142.07800	2.1
145.10103	1.3
147.08095	2.1
147.11682	5.9
149.09624	2.7
149.13277	2.1
155.08609	0.9
157.10133	6.7
165.12764	1.2
175.11147	5.6
184.07347	93.9
185.07692	2.1
193.12260	16.5
229.71310	0.9
247.24364	1.1
249.15018	1.4
265.25232	1.8
267.15927	100.0
268.16306	3.7
273.14771	1.4
301.14444	1.7
309.16949	2.3
339.28964	83.5
340.29294	5.6
428.34592	0.9
457.36823	1.8
475.80026	0.9
531.40479	71.4
532.40845	7.3
549.41565	10.5
550.41510	1.2
573.41266	2.2
638.47980	0.9
774.56262	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	778.5376
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05524	0.3
56.05046	1.0
57.07060	0.1
58.06634	0.4
60.08167	5.5
62.34768	0.1
67.05504	0.3
67.09016	0.1
69.07076	0.1
70.06549	0.1
71.07379	3.5
71.99049	0.1
79.05521	0.1
80.09509	0.1
80.97424	0.1
81.07051	0.4
83.04982	0.1
85.10197	0.1
86.09710	28.6
87.10040	0.3
91.05484	0.1
93.07063	0.2
95.08622	0.4
98.98467	3.4
104.10751	2.0
104.48376	0.1
116.99509	0.1
121.08943	0.1
125.00011	19.4
126.00318	0.2
135.03746	0.1
143.01096	0.2
184.07350	100.0
185.07693	1.8
228.93549	0.1
262.25977	0.1
421.12723	0.1
431.98132	0.1
518.31885	0.2
606.47650	0.4
778.42310	0.1
778.53906	1.6
779.53601	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	778.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05030	0.8
57.03423	1.1
57.07082	0.7
58.06606	0.4
60.08170	6.9
61.02924	0.5
67.05513	6.7
69.07069	2.0
69.88991	0.3
71.07383	5.1
79.05505	4.9
81.07056	6.7
83.08631	1.0
85.02898	0.5
86.09713	35.3
87.10052	0.6
91.05484	3.1
93.07053	5.2
95.08615	4.8
97.10210	0.7
98.98479	4.5
102.07066	0.4
104.10729	2.6
105.04512	0.5
105.07034	2.4
107.08629	2.4
109.10199	2.2
111.08044	0.6
117.07044	1.1
119.08595	2.2
121.10169	2.3
121.35725	0.4
123.11678	1.0
125.00013	25.2
131.08562	1.6
133.10124	1.2
135.11696	1.4
142.75525	0.5
145.10132	0.9
147.11676	1.0
149.13219	0.9
159.11693	1.0
161.13298	0.9
173.13243	0.6
184.07356	100.0
185.07695	1.2
247.20602	1.1
261.22235	0.9
321.24228	5.1
335.25818	5.3
581.45569	1.2
599.46326	0.8
618.89996	0.5
778.53857	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	779.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
61.02908	0.8
66.77489	0.5
67.05520	1.1
69.07069	0.5
71.28060	0.7
79.05502	0.9
81.07063	0.6
85.02902	0.5
86.09712	0.7
91.01591	0.4
91.05497	0.7
93.07059	0.9
97.02892	0.4
124.52660	0.4
139.69865	0.4
142.15379	0.4
146.19164	0.5
176.86790	0.4
184.07388	2.0
236.75862	0.5
243.41364	0.4
260.98480	0.5
269.10834	0.7
331.16058	0.6
349.17053	0.9
453.20749	0.7
460.29962	0.5
469.18713	0.9
486.63486	0.4
567.25250	1.1
618.47192	0.8
651.33783	1.2
693.34491	1.0
779.39825	100.0
780.40186	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	779.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.05514	1.3
57.03465	0.8
60.08171	0.5
61.02924	1.6
67.05508	3.2
69.03436	1.0
69.07084	0.8
69.16580	2.1
69.16992	0.6
71.04987	0.6
73.02921	1.0
79.05508	1.8
81.03419	1.1
81.07063	2.9
83.08636	0.5
85.02908	1.7
85.06510	0.4
86.09713	1.0
91.03953	0.6
91.05471	2.5
93.07059	1.9
95.04974	0.6
95.08627	1.5
97.02901	0.9
97.06627	0.5
99.04490	0.6
105.07054	1.3
107.08606	1.6
109.02924	0.5
109.10186	1.2
111.08060	0.5
117.07079	0.6
119.08578	0.7
121.10138	0.5
125.00040	1.1
133.10188	0.8
135.08098	0.4
135.11731	0.5
137.85616	0.4
145.10133	0.6
149.01189	0.5
163.11118	0.5
184.07365	5.1
185.04184	0.7
218.21172	0.4
243.08461	0.9
258.68591	0.5
269.10818	0.4
287.11566	0.6
301.09052	0.8
349.17010	1.6
453.21063	0.8
469.20248	1.8
471.22467	0.6
487.18683	0.6
551.27972	0.8
567.32050	0.7
651.33203	0.7
693.34717	0.8
761.40094	1.3
779.40277	100.0
780.40436	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	779.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
57.03436	1.1
61.02926	1.2
67.05515	3.4
68.05858	0.5
69.03429	0.6
69.07065	1.1
71.05041	0.6
71.28983	0.6
73.02923	1.1
77.32052	0.4
79.05504	1.8
81.03415	1.1
81.07053	2.5
83.08618	0.6
85.02924	2.0
85.08791	0.4
86.09721	1.4
91.03978	0.4
91.05461	1.9
93.07057	2.1
95.04972	0.4
95.08614	0.7
97.02901	1.7
97.06543	0.4
97.36592	0.4
101.02403	0.6
103.03017	0.4
105.07058	1.4
107.08609	1.0
109.06529	0.5
109.10154	1.1
117.07001	0.6
119.08614	1.1
125.00049	0.7
129.66858	0.5
133.10158	0.9
135.11714	0.8
145.10216	0.5
147.11742	0.6
151.11230	0.4
157.10199	0.4
160.76076	0.4
184.07352	4.6
185.04266	0.5
185.07619	0.4
210.60576	0.4
243.08531	1.2
269.10699	0.8
275.20108	0.6
313.01328	0.4
319.74567	0.4
349.16867	0.8
453.21497	0.5
469.19739	1.9
471.22226	0.7
487.18616	0.6
538.82623	0.5
549.26520	0.4
551.28339	0.5
561.67853	0.4
567.25446	0.9
635.32690	0.5
651.34064	0.6
677.36420	0.5
719.23004	0.5
733.41095	1.1
761.40289	0.9
779.40112	100.0
780.40411	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	779.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.96576	0.6
59.32990	0.5
61.02934	1.2
67.05509	1.1
73.02909	0.7
79.05504	1.4
81.07049	1.4
85.02921	1.3
86.09703	1.0
91.03976	0.9
91.05480	1.1
93.07051	1.9
97.02908	0.6
101.02394	0.7
105.07092	0.8
109.02858	0.6
109.06530	0.6
110.58953	0.5
117.07053	0.6
119.08595	1.2
120.08886	0.6
121.10142	0.8
124.99944	0.9
127.03908	0.8
131.08549	0.5
133.10146	0.9
135.11674	0.7
143.08548	0.7
145.10149	0.8
169.27666	0.6
184.07385	2.4
203.78517	0.6
269.10754	0.7
301.08920	0.7
315.11032	0.7
349.17007	1.6
439.19345	1.0
453.20944	1.1
469.18665	1.0
487.18402	0.6
567.24390	1.0
567.31720	1.6
614.55927	0.6
651.33521	3.3
652.34198	0.6
718.90253	0.6
733.41010	1.1
759.63141	0.5
761.40363	0.9
779.39862	100.0
780.40131	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.4
58.16436	0.4
61.02953	0.4
67.05522	1.0
70.08236	0.6
70.08607	0.8
79.05495	0.7
80.32696	0.4
81.07072	1.0
86.09712	0.6
88.44651	0.4
91.05491	0.7
93.07053	0.9
97.02929	0.5
98.22688	0.5
98.97609	0.5
100.65708	0.4
105.07044	0.5
112.99137	0.7
138.32568	0.4
149.01352	0.5
166.09587	0.4
179.24644	0.4
184.07413	1.7
214.60922	0.4
242.64339	0.4
242.67162	0.4
243.08563	0.5
269.10703	0.6
324.88562	0.4
331.16089	0.7
349.16925	0.6
374.76520	0.4
453.21237	0.5
469.18790	0.9
487.18784	0.7
563.59106	0.5
567.25500	1.6
618.47198	0.7
651.32990	1.9
687.30060	0.5
693.34485	0.7
733.41815	0.6
779.39844	100.0
780.40247	14.9
780.52014	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.05512	1.6
57.03435	1.9
57.08791	0.4
60.08159	0.4
61.02935	4.9
64.74562	0.4
65.43825	0.4
67.05511	3.2
69.03434	2.9
69.07093	0.9
69.76788	1.4
69.77203	0.7
71.05006	0.9
73.02919	3.0
79.05489	3.0
80.05836	0.4
81.03421	4.3
81.07059	3.2
81.56703	0.4
83.04984	1.4
83.08624	1.9
85.02909	5.8
85.77632	0.4
86.09724	1.1
87.52493	0.4
91.03986	2.6
91.05477	3.4
93.07055	2.4
94.74696	0.4
95.04969	3.5
95.08633	1.3
97.02929	3.5
97.06553	0.7
98.22687	0.8
99.04472	1.0
101.02410	1.6
105.07035	2.4
107.04982	1.1
107.08611	2.3
109.02920	0.8
109.06547	0.5
109.10171	1.1
111.04476	0.7
111.08105	0.9
117.07073	0.9
119.08571	2.3
121.10159	1.3
125.00037	0.7
127.03927	1.5
129.07062	0.6
131.08585	1.2
133.10182	1.5
135.08096	0.4
135.11748	0.5
139.11273	0.4
145.10155	0.8
147.11743	1.6
147.86656	0.4
149.09660	1.3
155.38165	0.4
157.10150	1.2
163.11261	0.8
175.11253	1.0
184.07393	3.4
185.04390	0.5
185.07811	0.6
193.12373	0.9
203.05307	0.6
243.08344	2.8
251.12653	0.9
275.19925	0.5
333.20422	1.7
469.20450	8.7
470.20532	0.8
551.28400	4.7
552.28931	0.5
607.58777	0.6
718.73480	0.7
779.41840	100.0
780.42188	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05513	1.5
57.03440	2.2
61.02932	4.1
67.05511	3.4
69.03432	2.9
69.07077	1.4
71.01371	0.4
71.05022	0.7
73.02926	2.8
79.05502	2.5
81.03419	3.3
81.07067	5.1
83.04984	1.0
83.08633	1.2
85.02911	5.3
85.06558	0.3
91.03968	2.5
91.05487	3.5
93.07039	1.9
95.05002	1.3
95.08609	1.7
97.02893	4.1
97.06545	0.5
99.04477	0.5
101.02369	2.0
105.07020	2.0
107.04996	0.9
107.08609	1.1
109.02894	0.7
109.06546	0.9
109.10172	0.5
111.08106	0.4
117.07050	0.7
118.01842	0.3
119.08594	2.0
121.10203	0.9
123.08089	0.5
123.11681	0.5
127.03963	1.0
129.06963	0.6
131.08598	1.3
133.10179	1.2
145.10176	0.5
147.11732	1.6
149.09563	0.6
149.13300	0.3
157.10193	1.1
159.11649	0.6
175.09851	0.3
175.11200	0.7
185.04306	0.5
193.12337	1.0
201.07698	0.3
211.13242	0.3
243.08386	2.4
251.12639	0.9
275.19919	0.4
295.79449	0.3
307.15286	0.8
333.20325	2.1
453.21295	0.4
469.20419	9.1
470.20941	0.5
481.20395	0.4
500.83203	0.3
541.22058	0.4
551.28271	4.4
552.29022	0.5
651.32941	0.5
779.41846	100.0
780.42163	17.6
788.94818	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	779.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.8
57.03428	3.5
61.02928	8.4
67.05502	11.1
69.03422	3.5
69.07065	4.4
70.38216	2.2
71.04986	5.7
73.02907	7.5
76.94798	2.2
79.05495	9.8
81.03426	4.3
81.07044	10.6
83.08624	3.5
85.02912	11.3
86.09712	4.6
91.03979	3.1
91.05482	7.7
93.07046	7.4
95.08581	3.5
96.21473	2.4
97.02901	9.6
97.10165	2.5
98.22559	5.8
105.07045	4.3
107.08560	4.9
109.02875	3.6
109.10178	5.6
109.19190	2.6
124.99953	3.3
131.19453	2.6
135.11650	4.0
136.60791	2.1
145.10187	3.0
184.07349	14.4
185.04289	2.9
188.98355	2.5
221.11572	2.7
243.08447	5.4
261.14569	3.8
301.08881	5.3
313.08899	2.6
315.10635	7.2
357.15332	3.4
369.15085	3.9
371.16891	7.3
373.11218	5.9
403.11322	2.6
425.21432	6.9
429.17404	2.9
439.19550	10.0
443.18961	3.3
455.19016	4.2
469.20270	3.3
471.22327	5.2
472.23154	2.5
489.28256	3.9
497.23807	4.6
511.21634	9.7
525.23285	5.5
535.28448	3.5
553.29578	3.8
567.27509	6.7
622.32977	15.2
635.34210	4.3
647.25024	3.0
654.31915	3.5
681.43207	12.5
733.41278	46.8
734.41425	6.8
761.40619	8.9
779.42114	100.0
780.42621	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	779.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
55.05523	1.2
57.03442	1.2
61.02933	3.3
67.05512	4.3
68.62881	0.4
69.03431	2.2
69.07078	1.8
70.35150	0.4
71.05005	2.5
73.02927	2.7
79.05496	2.9
81.03426	2.1
81.07069	3.7
83.05007	0.9
83.08624	1.1
85.02910	3.3
85.06561	0.6
86.09725	1.3
87.04501	0.4
89.21345	0.4
91.03955	2.2
91.05486	2.9
93.07056	3.2
95.05003	1.0
95.08644	1.2
97.02895	3.4
97.06544	0.9
97.10195	0.9
99.04503	0.7
101.02425	1.4
103.03957	0.4
105.07071	1.2
107.08586	2.0
109.02914	0.6
109.10152	2.5
111.08095	0.8
119.08637	1.5
121.10193	0.8
123.08030	0.5
125.00056	0.7
125.09649	0.5
127.03913	0.7
131.08585	0.5
133.10135	1.1
135.11699	0.9
137.09639	0.4
143.08574	0.5
147.11771	0.6
161.09694	0.5
181.12225	0.5
184.07396	4.2
185.04256	0.5
203.05363	0.5
213.99446	0.4
221.15787	0.4
243.08449	2.8
243.16063	0.5
251.12614	0.5
291.19556	0.4
301.08972	0.8
331.18967	0.6
351.98370	0.4
355.13379	0.4
439.19571	1.0
453.21301	1.0
469.20273	1.7
471.22018	4.0
472.22568	0.6
487.18604	0.5
549.26685	2.3
551.28107	0.8
552.30774	0.4
553.30023	0.5
567.23853	0.5
567.32019	0.6
651.33752	1.2
693.34937	1.4
731.77740	0.4
733.41034	1.3
761.39880	1.8
779.41223	100.0
780.41510	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	779.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	1.1
61.04998	0.5
61.39355	0.5
67.05535	0.4
67.18678	0.5
74.88651	0.5
79.89024	0.5
83.40054	0.5
86.09709	4.2
125.00027	2.9
145.06529	0.5
176.40910	0.6
184.07356	11.1
184.08925	0.7
185.07681	0.5
228.85333	0.5
501.21326	0.6
535.26373	0.8
541.79559	0.5
549.38477	0.5
550.48682	0.5
703.21814	0.6
739.85785	0.6
779.43427	100.0
780.43823	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	779.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05509	1.4
57.03448	1.9
61.02925	6.5
67.05502	5.4
69.03425	3.8
69.03712	0.3
69.07085	1.2
69.10117	0.9
69.10543	1.2
71.01357	0.5
71.05004	1.1
73.02919	3.9
73.78121	0.3
79.05496	3.9
80.57249	0.3
81.03416	2.7
81.07053	5.7
83.01373	0.4
83.04993	0.7
83.08640	1.0
85.02906	6.1
85.03428	0.3
86.09728	1.0
87.04486	0.6
91.03956	3.5
91.05481	3.1
93.07040	4.1
95.04974	0.7
95.08601	4.0
97.02894	5.7
97.06547	0.4
97.10207	0.4
99.04460	0.8
101.02386	2.0
105.07030	1.7
107.08597	2.0
109.02901	0.6
109.10152	1.4
115.03974	0.6
117.07073	0.4
119.08613	1.4
121.10175	2.1
123.11726	0.6
125.00028	0.7
127.03925	1.9
131.08601	1.4
133.10153	0.8
135.11682	0.7
145.10153	0.3
147.11710	1.2
149.09677	1.2
149.13307	0.5
157.10159	0.4
161.13287	0.4
163.23979	0.3
175.11195	0.4
184.07330	3.3
185.04225	0.8
185.07642	0.4
193.12270	0.6
203.05319	0.7
225.14833	0.4
229.37868	0.3
243.08353	2.4
267.15808	0.5
283.15106	4.6
325.85934	0.3
339.17789	0.4
501.22989	5.7
502.23419	0.5
519.29297	9.0
520.29517	0.7
779.45453	100.0
780.45715	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	779.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05521	1.2
57.03443	1.8
59.04999	0.7
61.02930	4.3
67.05504	3.6
68.98257	3.8
69.03445	2.8
69.07081	0.8
71.05000	1.0
73.02934	3.6
74.56019	0.4
75.67392	0.4
79.05499	3.1
81.03415	3.5
81.07061	4.0
83.04966	0.8
83.08618	0.8
85.02911	4.3
87.04462	0.7
91.03970	2.7
91.05490	3.2
93.07057	3.0
95.04971	1.1
95.08629	2.9
97.02906	3.5
97.06554	0.5
99.04448	0.9
101.02415	1.5
103.03948	0.4
105.07062	1.5
107.08607	1.1
109.02885	0.8
109.06557	0.4
109.10203	0.6
111.08092	0.8
119.08601	1.3
121.10174	1.5
127.03954	1.4
129.07005	0.7
131.08606	1.6
131.59897	0.4
133.10118	0.8
135.11668	0.4
147.11728	1.1
149.09653	1.6
159.11894	0.5
173.13361	0.4
175.11217	0.8
184.07445	1.2
185.04245	0.6
193.12277	0.9
233.11671	0.4
243.08530	1.8
267.15942	0.5
283.15134	4.1
469.20755	0.6
501.23145	8.6
502.23892	0.7
519.29370	5.1
520.29657	0.5
541.13177	0.4
779.45490	100.0
780.45886	16.1
785.00439	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	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05508	1.3
57.03437	1.8
59.05013	0.7
61.02935	5.7
63.28857	0.3
65.03945	0.6
66.23948	0.3
67.05511	4.7
69.03436	3.4
69.07071	1.0
71.04996	1.2
71.41150	0.4
73.02917	4.4
79.05501	4.0
81.03429	3.2
81.07069	4.5
83.08618	0.8
85.02921	5.1
85.36426	0.4
86.09737	0.5
87.04500	0.8
91.03962	3.6
91.05484	2.9
93.07059	3.9
95.04980	0.7
95.08607	3.7
97.02887	4.7
99.04470	1.0
101.02381	1.7
103.03943	0.5
105.07053	1.6
107.08600	2.1
109.02919	0.7
109.10172	1.2
115.03990	0.5
117.07032	0.6
119.08617	1.2
121.10124	2.1
127.03930	1.6
131.08609	1.5
132.41629	0.3
133.10179	1.5
135.11719	0.7
135.91116	0.3
147.11740	1.2
149.09674	0.5
149.13443	0.4
184.07394	1.3
185.04242	0.5
193.12288	0.9
203.05289	0.7
229.14761	0.5
243.08406	2.7
247.76613	0.3
256.54321	0.4
267.15903	0.4
273.72256	0.4
283.15152	4.9
335.25867	0.4
501.23050	7.5
502.23935	0.5
519.29321	8.2
520.29877	1.1
595.57605	0.4
779.45508	100.0
780.45776	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	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05511	0.8
57.03442	1.8
61.02935	4.5
64.08911	0.3
65.03933	0.5
67.05508	5.5
67.35319	0.4
68.05837	0.5
69.03436	2.7
69.07062	1.7
71.05000	2.9
71.28111	0.4
73.02924	2.6
79.05504	4.8
81.03431	1.6
81.07059	6.2
82.07393	0.7
83.04996	0.6
83.08610	1.1
85.02914	5.1
85.06533	0.4
86.09703	1.6
87.04472	0.7
91.03963	2.6
91.05476	4.6
91.92625	0.5
93.07054	5.1
94.07393	0.5
95.04978	0.6
95.08614	2.8
97.02905	4.1
97.06548	0.7
97.10148	0.4
99.04448	0.7
99.08124	0.5
101.02370	1.8
103.03973	0.4
105.07048	3.5
107.08601	3.4
108.08967	0.6
109.02877	0.9
109.10136	1.5
111.04436	0.4
115.03913	0.7
117.07023	1.5
119.08570	2.1
121.06526	0.5
121.10191	2.0
123.11711	0.9
124.99998	1.0
127.03923	1.4
129.05553	0.4
131.08563	1.7
133.10150	2.8
135.11684	1.0
143.08556	0.6
145.10167	0.8
147.11673	0.9
149.13274	0.7
151.11185	1.1
153.33907	0.4
159.11708	0.5
161.13295	0.5
171.11787	0.4
183.13817	0.5
184.07361	5.9
185.04265	0.9
185.07724	0.4
187.13373	0.7
201.03644	0.4
243.08427	3.5
257.17487	0.8
267.15738	1.3
280.27573	0.5
301.08838	1.3
315.10629	0.7
317.20908	0.6
365.19406	0.5
385.18802	0.5
425.21719	0.5
453.20615	0.6
465.20599	0.7
485.23596	8.7
486.23712	0.7
535.28809	5.9
557.25366	1.2
695.19366	0.4
709.37573	0.5
721.48535	0.5
747.42511	0.5
761.40399	0.7
777.83826	0.4
779.45660	100.0
780.45959	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	780.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.1
56.05033	1.1
57.30932	0.1
58.06625	0.5
59.07403	0.1
60.08165	6.7
67.05511	0.3
70.06601	0.2
71.07375	4.1
81.07056	0.2
86.09705	33.6
87.10028	0.7
91.05464	0.1
93.07028	0.1
95.08622	0.2
98.22620	0.2
98.98464	4.3
104.10738	2.4
107.97366	0.1
125.00003	23.6
126.00345	0.2
143.01038	0.3
163.01491	0.1
184.07339	100.0
185.07707	1.9
313.06570	0.1
502.32465	0.1
518.32355	0.1
520.33545	0.1
597.48981	0.1
741.80640	0.1
780.55365	1.2
781.54767	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	781.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
60.08171	2.6
61.02930	2.1
67.05508	2.6
69.58968	4.4
71.07386	1.9
73.02934	1.5
79.05511	1.2
81.07069	2.3
85.02916	2.9
86.09715	12.1
87.10060	1.3
91.03980	1.1
91.05489	1.8
93.07037	1.9
95.08604	1.0
97.02923	1.4
98.22692	1.7
98.98479	2.1
102.02296	0.9
105.07018	1.5
121.10199	1.1
123.55579	0.8
125.00008	8.7
184.07356	37.4
185.07701	4.2
185.48056	0.9
273.83640	0.9
485.19907	1.2
519.29834	1.0
763.41943	3.4
781.41931	100.0
782.42102	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	781.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05491	1.9
57.03419	2.8
60.08143	1.4
61.02666	1.0
61.02927	7.4
62.48128	0.7
67.05510	8.9
69.03429	4.1
69.07045	1.4
69.77618	3.0
71.01335	0.7
71.04992	1.1
73.02924	4.9
79.05499	4.0
81.03399	2.7
81.07066	5.0
85.02898	7.6
86.09694	6.5
91.03952	4.5
91.05489	1.6
93.07046	4.7
95.04958	0.7
95.08625	3.2
97.02895	5.7
98.22619	0.9
98.98499	0.9
99.04435	1.8
101.02353	1.9
101.97478	0.6
103.61329	0.7
105.06992	1.6
107.08551	2.1
109.02850	0.8
109.10169	4.9
115.41258	0.6
119.08565	1.4
121.10133	2.1
124.99988	5.2
127.03932	1.7
131.08607	1.2
133.10107	0.8
135.11696	1.0
149.13315	1.1
173.11800	1.2
184.07346	19.8
185.04280	0.8
185.07648	2.1
229.14438	1.1
243.08470	2.2
325.22025	0.6
413.17651	4.0
485.19604	1.0
517.96698	0.8
519.29163	11.0
520.29529	1.6
691.40253	100.0
692.40717	12.2
735.43219	1.1
763.41730	1.6
781.41803	63.1
782.41766	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	781.435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
61.02932	3.8
67.05513	4.8
69.03423	1.8
69.07094	2.0
71.05004	3.9
71.29275	1.5
73.02930	3.8
76.51219	1.0
79.05507	3.9
81.03401	2.1
81.07072	4.7
85.02927	4.1
91.03965	1.9
91.05537	1.7
93.07069	3.8
95.08631	3.2
97.02908	4.2
105.07037	1.4
107.08602	1.3
109.10186	4.1
111.78146	1.1
119.08567	1.5
127.03899	1.7
133.10187	1.1
135.11711	1.7
135.89641	1.2
137.09639	1.2
147.11705	1.5
169.30620	1.1
184.07404	3.0
240.85069	1.1
243.08582	3.3
339.95193	1.2
471.21942	8.6
551.28412	4.8
781.43378	100.0
782.43433	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05373	1.2
55.05630	1.0
57.03296	1.2
57.03564	1.2
59.15594	0.5
60.08290	0.6
61.02749	2.0
61.03100	2.6
67.05308	4.9
67.05714	4.6
69.03246	1.5
69.03657	1.5
69.06929	0.6
69.07255	0.8
69.86825	2.0
71.05190	0.7
73.02710	2.2
73.03144	1.6
79.05284	2.0
79.05782	1.3
81.03204	1.4
81.06837	3.0
81.07380	1.7
83.08899	0.7
85.02680	2.2
85.03233	1.2
86.09479	2.4
86.10030	1.2
91.03709	2.9
91.04358	1.3
91.05256	2.0
91.05853	1.1
93.06804	2.8
93.07447	1.3
95.04731	0.8
95.08363	2.7
95.09008	1.2
97.02640	3.7
97.03307	1.1
99.04279	0.7
101.02168	1.2
104.57793	0.5
105.06857	1.0
107.08418	1.1
107.09003	0.6
109.09879	7.0
109.10700	2.1
110.10231	0.5
117.06760	0.6
119.08322	1.5
119.09091	0.6
121.09968	0.7
124.99712	2.1
126.53791	0.5
127.03701	1.2
135.11566	0.7
137.09482	0.6
145.04637	0.6
155.10364	0.6
173.11386	2.6
176.99062	0.6
184.07016	11.0
185.03806	0.6
185.07431	1.2
195.09647	0.8
209.11401	1.0
229.14072	0.8
243.07945	2.6
243.10246	0.6
258.99905	0.6
292.87418	0.6
299.63889	0.6
333.20193	0.7
413.12863	0.8
413.17807	11.5
414.17938	1.0
471.21057	0.9
492.12863	0.6
519.29291	5.6
585.87042	0.6
665.43866	2.6
683.33893	1.2
683.44977	17.8
684.45123	2.8
691.40271	100.0
692.40686	11.6
735.42712	0.7
763.42267	2.0
781.42694	19.2
782.43250	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
57.03436	2.1
60.08168	0.5
61.02930	6.2
63.41241	0.4
67.05506	7.7
69.03436	3.3
69.07087	1.2
70.06559	0.4
71.01353	0.4
71.05013	0.7
71.28064	0.5
73.02924	4.5
77.71352	0.4
79.05497	3.8
81.03429	1.8
81.07063	4.9
82.07329	0.4
83.04967	0.4
83.08622	0.6
85.02908	6.3
85.03371	0.5
86.09718	3.6
87.10104	0.5
87.92976	0.4
91.03971	4.7
91.05487	2.0
93.07041	4.3
95.04985	0.7
95.08608	3.6
97.02900	5.9
97.06562	0.4
98.98497	0.4
99.04485	0.8
101.02403	1.7
105.07056	1.2
107.08598	1.6
109.02876	0.9
109.10164	4.3
111.08121	0.4
115.03965	0.4
117.07050	0.4
119.08590	1.5
121.10149	1.2
124.99985	2.3
127.03921	1.9
131.08595	0.9
133.10172	1.2
135.11711	0.9
145.10146	0.6
149.13255	0.8
153.58423	0.4
173.11739	1.2
174.66655	0.4
184.07339	10.3
185.04207	0.6
185.07716	0.7
195.09911	0.7
201.51427	0.4
203.05264	0.6
243.08379	2.0
249.43748	0.4
335.25989	1.2
413.17838	5.4
414.18289	0.5
485.20230	0.4
519.29376	9.7
520.29413	1.2
683.44824	1.3
691.40277	100.0
692.40674	15.3
733.49072	0.5
735.42749	0.9
763.41345	1.1
781.42810	11.7
782.44385	2.1
782.56934	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47026	0.6
55.01881	0.7
55.05518	1.6
57.03443	2.2
61.02930	5.7
63.10847	0.5
67.05506	7.1
69.03439	3.9
69.07058	1.2
73.02912	4.1
79.05505	4.0
81.03443	1.6
81.07066	4.2
85.02906	5.9
86.09726	2.1
91.03957	3.8
91.05479	3.3
93.07047	4.8
95.05006	0.7
95.08604	4.0
97.02917	5.4
99.04457	0.9
101.02406	2.2
103.03983	0.6
105.07076	1.9
107.08641	2.3
109.02977	0.6
109.10195	1.6
115.03950	0.6
119.08661	1.0
121.10181	2.2
125.00044	0.9
127.03957	1.8
131.08577	0.8
133.10162	0.7
135.11717	0.9
136.15598	0.6
136.29361	0.5
139.11217	0.6
175.85225	0.6
184.07339	5.4
185.19440	0.5
243.08405	1.1
267.12170	1.1
285.13138	3.0
335.26010	0.9
456.63028	0.5
485.19876	1.6
488.86349	0.7
492.11459	0.6
503.21320	2.2
519.29321	8.2
544.76221	0.6
665.43677	1.1
670.93689	0.6
683.44507	1.7
763.42291	7.1
781.43420	100.0
782.43713	13.3
804.86133	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	781.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
60.08155	3.5
61.02918	6.6
67.05502	9.8
67.47291	0.9
69.03434	2.7
69.07050	1.1
71.07386	1.3
71.08163	1.6
73.02917	4.0
79.05502	2.5
81.03428	2.0
81.07063	4.0
85.02903	5.9
86.09721	8.8
91.03947	3.7
91.05466	2.5
93.07043	3.7
93.59492	0.9
95.08607	2.9
97.02906	3.8
98.98491	1.0
99.04459	1.9
101.02375	2.4
107.08585	1.1
109.10172	7.6
119.08644	1.6
121.10164	1.0
125.00005	8.1
145.05034	1.0
153.55197	0.8
173.11755	1.5
184.07353	32.7
184.08952	1.9
185.04193	1.6
185.07751	2.6
203.86665	0.9
229.14366	1.7
243.08331	2.5
389.54025	0.9
391.89340	0.9
401.92941	1.1
413.17825	11.8
499.91827	0.9
519.29041	7.8
683.44440	2.2
691.40289	100.0
692.30383	1.1
692.40759	13.9
781.42529	20.1
782.41687	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	781.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80829	0.9
55.05511	2.0
57.03445	2.4
57.83512	0.8
59.35701	0.9
60.08168	2.4
61.02925	5.6
64.78711	0.9
67.05514	4.3
69.03439	4.2
69.07078	2.0
73.02930	3.4
79.05495	4.2
81.03442	1.5
81.07050	5.6
81.43109	0.9
83.04998	1.2
85.02926	3.3
86.09705	9.4
91.03978	3.0
91.05492	3.2
93.07060	5.9
95.08640	4.0
97.02889	5.1
99.04453	1.4
101.02390	1.5
105.07092	0.9
107.08627	1.9
109.10191	1.5
119.08612	1.2
121.10195	2.4
125.00021	7.1
127.04022	1.2
133.10190	1.1
139.75594	0.9
184.07356	31.6
185.04147	1.0
185.07741	2.5
243.08469	2.5
285.13199	2.2
328.74747	1.0
485.19864	4.2
503.21143	3.0
519.29413	4.5
763.41925	4.4
781.43219	100.0
782.43451	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.65220	1.0
60.08150	1.4
61.02934	4.2
67.05512	4.4
69.03430	2.5
69.07048	1.1
69.47734	4.5
69.98122	1.0
71.04987	1.1
73.02927	2.7
79.05505	3.8
81.03439	1.7
81.07064	3.5
85.02912	3.7
86.09700	4.9
87.04477	1.1
91.03948	2.0
91.05464	2.1
93.07039	2.4
95.08601	2.7
97.02909	3.2
98.23347	1.3
99.04499	1.0
101.02365	1.9
105.07043	1.0
107.08609	2.5
109.10176	1.4
121.10158	2.1
125.00036	2.6
127.03912	1.3
128.98593	0.9
131.08728	1.0
165.10870	0.9
184.07339	16.1
185.07661	1.0
203.73354	0.8
243.08450	2.2
245.15161	0.9
485.19931	2.6
503.21225	2.9
519.29706	3.1
567.32275	1.2
607.41107	1.5
616.73083	1.0
763.42413	6.2
764.42896	1.3
781.42761	100.0
782.43054	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	781.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
55.05513	1.2
56.36512	0.3
57.03436	2.4
60.08176	0.9
60.49162	0.3
61.02930	5.5
67.05505	8.5
67.05843	0.6
69.03429	3.6
69.07077	1.0
71.01333	0.4
71.05006	0.9
73.02921	4.2
79.05495	2.7
81.03416	2.0
81.07065	4.2
83.04984	0.4
83.08624	0.7
85.02910	6.2
86.09703	3.8
86.10084	0.3
91.03956	3.8
91.05500	1.7
93.07051	3.1
95.04974	0.5
95.08614	3.4
97.02901	4.9
98.22643	1.0
98.98482	0.8
99.04475	1.3
100.66650	0.3
101.02378	2.0
103.03996	0.4
105.07039	0.7
107.08593	1.9
109.02865	0.8
109.10166	6.6
109.94967	0.3
110.10552	0.5
115.03909	0.6
117.07054	0.4
119.08614	1.2
121.10163	1.3
123.11710	0.6
125.00009	2.5
127.03908	1.8
131.08574	0.7
133.10193	0.4
135.11749	1.3
137.09695	0.4
155.10797	0.4
173.11787	1.7
184.07343	11.6
184.08932	0.7
185.04274	0.7
185.07796	0.6
195.09991	0.9
229.14461	1.1
238.56766	0.4
243.08383	2.4
248.37534	0.4
335.25757	1.0
413.17798	8.6
452.49683	0.4
485.19525	0.4
519.29315	8.9
520.29675	0.9
529.34991	0.4
595.94159	0.5
683.44812	1.0
691.40259	100.0
692.28717	1.0
692.40540	13.1
763.42505	1.0
781.41870	20.8
782.42151	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	781.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05510	1.9
55.07111	0.3
57.03430	2.2
57.07093	0.5
59.05011	0.7
59.37197	0.2
60.08173	0.6
61.02925	5.1
65.03964	0.4
67.05501	5.9
69.03436	3.5
69.07062	2.8
70.45821	0.7
71.01353	0.6
71.05005	1.1
71.08627	0.5
73.02919	4.0
79.05493	3.1
81.03419	2.9
81.07056	6.2
83.04995	0.7
83.08615	1.7
85.02902	5.3
85.06538	0.3
86.09708	2.7
87.04488	0.7
91.03958	3.6
91.05472	2.5
93.07038	2.7
95.05002	0.8
95.08601	4.0
95.09152	0.3
97.02890	5.1
97.06542	0.6
97.10193	0.9
98.98474	0.4
99.04479	0.9
99.08100	0.3
101.02388	2.0
101.08517	0.3
103.03932	0.5
104.10789	0.3
105.07021	1.9
107.05011	0.3
107.08591	1.9
109.02909	0.8
109.10149	2.2
111.08092	0.4
115.03912	0.4
119.08614	1.0
121.10141	1.9
123.11731	0.8
125.00016	2.1
125.09683	0.3
127.03905	1.5
129.05528	0.3
129.07047	0.4
131.08638	0.9
133.10129	1.6
135.11723	0.3
147.11722	1.2
149.09583	1.5
157.10179	0.8
173.11887	0.3
175.11156	0.6
183.06705	0.3
184.07346	8.8
185.04298	0.7
185.07758	0.9
192.79588	0.3
193.12317	0.7
197.15477	0.3
203.05284	0.5
215.51955	0.3
225.14944	0.5
229.14417	0.4
243.08401	2.4
267.15958	0.8
283.15155	4.4
283.17935	0.4
302.17157	0.3
337.27448	0.9
339.17587	0.5
339.28909	0.5
340.29520	0.7
378.76077	0.3
501.23080	8.8
502.23318	0.6
521.30890	6.9
522.31421	0.6
619.42639	0.3
683.44470	0.4
781.46991	100.0
782.47321	13.7
793.04120	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	782.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.4
56.98402	1.2
57.03441	3.4
57.07076	4.3
67.05505	13.2
69.03431	3.9
69.07074	15.0
69.29356	5.6
69.29763	2.3
73.02924	7.8
79.05482	6.4
81.07059	32.5
83.08618	9.4
85.02914	4.1
86.09718	3.0
87.28666	1.1
90.12324	1.4
91.05492	5.2
93.07047	20.4
95.01346	1.4
95.08610	61.9
96.08939	2.0
97.02907	8.9
97.10172	7.2
101.68473	1.3
105.07038	15.3
107.08599	32.5
108.24610	1.4
109.10165	39.1
110.10472	1.7
111.11769	1.9
113.05971	1.9
115.03952	4.6
117.07012	1.4
119.08585	21.9
121.10149	37.4
123.11719	23.6
125.00028	2.0
131.08563	5.9
133.04971	3.5
133.10138	21.9
135.11700	27.3
135.42207	1.5
136.12044	1.8
137.13243	13.1
141.01831	9.6
141.07068	1.2
145.10127	10.3
147.11693	15.9
149.13264	31.1
150.13701	1.4
153.09137	3.8
159.02919	2.4
159.11673	5.9
161.13307	10.3
163.14861	8.4
173.13252	6.3
175.14850	10.2
177.16364	7.1
179.10730	1.5
179.18005	3.3
184.07344	10.5
187.14850	4.7
189.16389	35.8
190.16817	2.0
191.17950	55.1
192.18376	3.3
199.14815	2.0
201.16397	50.4
202.16695	2.2
203.17961	44.4
204.18398	2.6
205.19531	47.5
206.19882	2.3
213.16376	2.9
215.17952	19.5
217.19534	13.7
221.15419	1.9
221.18886	1.4
227.18001	1.7
229.19485	1.8
231.21130	2.8
235.16905	10.0
241.19571	3.2
243.21237	5.8
245.22688	4.2
247.16949	30.4
248.17267	2.5
249.18570	6.5
254.66798	1.2
255.21065	3.3
257.22644	3.6
261.18478	10.0
262.18994	1.5
269.22736	1.9
273.06024	2.5
289.21643	3.2
301.21655	1.6
315.23309	3.0
328.82031	1.2
384.19894	1.4
393.35107	16.6
421.34509	1.5
439.35736	100.0
440.36102	9.9
444.89658	1.3
540.34113	1.4
596.49066	1.4
782.43146	7.3
783.42596	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	782.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.2
58.06360	0.2
58.06608	0.4
59.07378	0.2
60.08167	6.6
67.05501	0.7
69.03689	1.8
69.07063	0.3
71.07376	4.4
72.42055	0.2
79.64234	0.2
80.97433	0.2
81.03439	0.2
81.07046	0.6
83.08624	0.2
85.02928	0.3
86.09709	34.8
87.10044	0.7
95.08601	0.4
98.23347	0.5
98.98474	4.3
104.10734	2.7
125.00008	25.9
126.00394	0.3
132.02666	0.2
143.01047	0.5
154.21315	0.2
156.71837	0.2
184.07350	100.0
185.07709	2.3
283.15381	0.3
303.63257	0.2
313.27194	0.3
512.69995	0.2
514.55066	0.2
520.34326	0.2
617.35699	0.2
782.44885	2.8
782.56757	1.2
783.47980	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	782.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05034	1.0
58.06622	0.5
59.07125	0.1
59.07396	0.2
60.08165	7.4
61.08479	0.1
63.26558	0.1
67.05505	0.6
69.07063	0.1
69.36528	0.1
71.07370	4.4
71.08627	0.2
72.07705	0.2
77.83624	0.1
79.05498	0.3
81.07047	0.4
86.09705	35.7
87.09505	0.2
87.10023	0.9
93.07037	0.3
95.08604	0.4
97.06519	0.1
98.98466	4.0
98.99122	0.2
99.73353	0.1
101.00253	0.1
104.10747	2.5
107.08584	0.1
109.10133	0.1
121.10105	0.2
125.00003	23.7
126.00340	0.3
129.19055	0.1
143.01088	0.2
166.02541	0.1
184.07339	100.0
185.07687	2.3
186.07800	0.4
283.15433	0.2
313.27475	0.1
520.33502	0.2
782.56805	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	782.569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05034	1.0
57.07070	0.2
58.06374	0.2
58.06631	0.6
60.08166	6.2
66.85681	0.2
67.05509	0.7
69.04147	0.7
69.04565	1.0
69.07077	0.3
70.06577	0.2
71.07370	3.7
79.05478	0.3
81.07035	0.4
85.52606	0.2
86.09705	30.4
87.10025	0.5
93.07042	0.3
94.32198	0.2
95.08569	0.5
98.23473	0.3
98.98460	3.8
104.10750	2.2
125.00004	21.2
126.00380	0.2
143.01067	0.4
184.07341	100.0
185.07690	2.8
245.55389	0.2
302.91144	0.2
325.20255	0.2
369.75620	0.2
469.02496	0.2
476.02914	0.2
526.20319	0.2
782.56812	2.4
783.43512	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	783.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
56.26175	0.2
56.90065	0.2
57.03422	0.6
58.44676	0.3
63.63851	0.2
65.03941	0.3
65.41116	0.2
68.99783	1.0
69.03428	21.9
70.03773	0.4
71.01346	1.2
71.04987	0.8
71.30332	0.2
71.30717	0.4
71.88278	0.3
72.39514	0.4
73.02921	0.3
77.03941	0.5
79.05500	0.8
81.03416	35.9
82.03742	0.8
83.01337	1.5
85.02912	2.5
89.03939	1.1
91.05487	1.5
95.01321	0.5
95.04949	0.4
97.02892	4.3
99.04458	1.6
101.03937	0.3
103.05473	1.0
105.03415	1.0
107.04958	1.2
109.02878	17.5
111.04427	0.5
111.81516	0.3
117.03371	1.6
118.04129	0.3
119.04950	1.1
121.02839	0.4
123.00815	0.2
123.04450	0.7
127.03917	8.2
129.03383	0.6
131.04927	0.7
133.02858	2.3
135.04402	1.9
137.02377	0.8
139.03905	0.7
145.02867	1.6
145.04942	0.4
147.04402	3.4
149.02312	0.3
151.03958	0.4
153.01839	1.2
157.02846	1.5
159.04439	0.7
161.02348	3.9
163.03899	7.5
164.04367	0.5
165.01842	1.0
173.02321	4.0
174.03082	0.5
175.03899	3.4
177.01880	0.9
177.05481	0.5
179.03374	2.6
181.01318	0.6
185.02319	1.6
187.03902	5.2
189.01810	7.2
190.02530	0.8
191.03387	8.8
192.04060	0.6
193.01334	1.2
195.02850	0.4
201.01823	7.5
202.02467	1.0
203.03378	5.9
205.01328	0.4
207.02878	5.7
209.06102	0.3
213.01834	4.6
215.03372	4.1
217.01323	10.2
218.01984	1.7
219.02888	9.4
220.03349	0.5
221.00858	1.8
221.04405	0.6
229.01302	6.7
230.01987	0.9
231.02879	21.5
232.03265	0.9
235.02351	13.6
236.02731	0.4
239.01900	1.0
241.01306	4.0
241.05057	0.3
243.03087	0.4
245.00803	8.8
246.01364	0.7
247.02368	13.0
248.02757	0.8
249.03970	0.3
257.00800	8.3
258.01410	0.9
259.02374	32.8
260.02725	1.7
261.03897	0.4
263.01840	4.7
271.99368	0.5
273.00299	10.1
274.00983	1.1
275.01846	18.3
276.02609	7.3
277.03418	100.0
278.03763	4.3
283.02258	0.3
285.00345	6.2
286.00882	0.6
287.01813	0.9
289.03418	0.9
291.01294	3.3
297.04065	0.4
300.99792	4.1
301.03140	0.5
302.00476	1.2
303.01343	89.6
304.01678	4.4
305.02957	1.5
315.01376	0.7
319.00812	6.2
320.01025	0.3
321.02365	2.4
328.99323	0.6
331.00739	1.1
337.01886	30.6
338.02271	1.4
349.01904	0.5
355.04727	0.4
367.04391	0.5
407.02347	1.2
411.03378	0.7
429.04388	0.9
445.03900	1.1
447.05560	1.0
463.05096	8.0
464.05115	0.4
481.06296	1.3
783.06738	6.8
784.06964	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	783.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.48214	0.1
58.33595	0.1
60.31443	0.1
62.55860	0.1
68.18871	0.1
68.99804	0.1
69.03426	0.5
70.80601	0.1
71.30652	0.1
79.01855	5.0
81.03413	0.8
85.02912	0.1
87.00832	0.2
87.01373	0.1
95.49927	0.1
97.02904	0.9
99.07581	0.1
107.01325	0.9
108.47842	0.1
109.02866	0.5
110.03673	0.1
123.00795	0.2
125.02350	2.6
127.03924	1.6
137.02339	0.2
139.03857	0.1
143.03400	6.6
147.04427	0.1
153.01828	100.0
153.02866	5.6
153.28992	0.1
154.02156	2.9
154.03384	0.2
154.38490	0.1
162.51263	0.1
163.03928	0.6
167.03328	0.1
171.02861	0.2
191.03423	1.2
195.02901	0.2
205.04919	0.1
207.02907	0.1
207.32106	0.1
208.03394	0.1
209.04474	0.3
213.03967	0.2
219.02876	0.3
228.04144	0.3
229.04831	0.1
233.04414	0.3
237.03940	4.5
238.04289	0.2
245.04509	0.1
246.05264	0.1
257.04376	0.1
261.03970	0.7
274.04727	0.5
279.04974	1.2
280.05191	0.1
285.04117	0.1
297.06015	2.0
298.06302	0.1
301.00153	0.2
301.03378	1.6
302.04184	4.8
303.04553	0.3
317.06552	6.4
318.06827	0.4
341.06201	0.1
359.07401	0.2
449.07132	5.7
450.07379	0.4
467.02280	0.1
467.08221	1.6
468.08481	0.1
783.24066	0.3
802.02948	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	783.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
56.05012	1.4
57.03441	3.2
57.07067	1.0
58.06591	0.6
59.04971	1.0
60.08169	8.0
61.02929	7.1
61.08478	0.8
67.05515	5.0
69.03432	4.0
69.07078	3.3
71.01362	0.5
71.04971	1.6
71.07381	4.6
71.08598	0.7
73.02915	4.9
79.05491	3.8
81.03407	4.2
81.07063	5.3
83.04969	0.9
83.08631	2.9
83.50236	0.6
85.02908	5.6
86.09709	39.0
87.10030	3.8
91.03959	3.9
91.05487	2.7
93.07048	4.2
95.04957	1.3
95.08618	3.6
97.02394	0.5
97.02911	5.9
97.06505	1.0
97.10133	1.4
98.22539	0.9
98.98473	5.1
99.04449	1.2
101.02367	1.7
104.10751	3.0
105.06999	1.6
107.08577	2.1
109.02856	1.3
109.10127	1.6
111.08118	0.6
111.11649	0.6
119.08537	1.7
121.10160	2.9
125.00008	30.4
126.00309	1.2
127.03903	1.8
129.06985	0.9
131.08568	1.3
133.10132	1.0
135.11676	0.6
147.11688	1.7
149.09605	2.1
149.13229	0.8
157.10133	1.2
175.11176	0.7
184.07350	99.0
185.04195	1.1
185.07703	10.8
193.12320	1.9
203.05170	0.9
211.13261	0.6
243.08380	2.9
259.08713	0.5
267.15826	0.6
283.15088	5.9
298.90729	0.6
313.27649	0.6
339.17761	1.1
339.29126	1.1
355.27460	0.5
413.54181	0.6
501.23047	13.1
502.23798	0.7
523.32550	6.4
546.47955	0.6
640.20630	0.6
693.23700	0.9
783.48596	100.0
784.48895	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.6
55.05514	33.0
56.02616	1.0
57.03444	9.2
60.54571	1.1
61.02928	1.8
65.03940	2.6
67.05506	44.8
69.03435	12.5
69.07073	27.2
71.04997	3.9
71.35530	1.0
73.02903	1.2
73.25398	1.0
79.05498	39.9
80.05825	1.5
81.03424	13.5
81.07059	36.7
82.07367	1.3
83.04991	10.3
83.08624	13.4
85.02921	4.9
85.06532	1.9
86.09699	1.3
88.02314	1.0
91.04904	1.1
91.05486	34.3
93.07047	34.6
93.07636	1.9
94.04216	1.3
95.04970	21.4
95.08613	16.5
97.02895	10.7
97.06558	5.0
97.10175	21.0
97.10777	1.6
99.04436	1.2
100.55592	1.2
103.05495	1.3
105.04539	1.2
105.07027	21.7
107.04961	17.2
107.08600	18.8
109.02867	2.4
109.06512	5.4
109.10159	14.2
111.08069	5.3
115.05462	2.5
117.07009	15.2
119.04959	2.7
119.08591	15.9
121.06509	7.6
121.10145	8.1
123.08081	6.1
125.06029	2.0
125.09622	15.7
129.07010	5.9
131.08563	14.3
133.06497	5.3
133.10129	12.3
134.07295	1.2
135.08081	8.2
135.11699	4.2
137.09615	2.8
141.07001	3.0
143.08604	4.7
145.06554	1.4
145.10114	9.6
146.07304	1.1
147.08078	5.8
147.11720	4.9
149.09671	3.3
149.13280	3.0
151.11166	1.7
153.09134	1.8
155.08571	1.1
157.10184	3.5
159.11702	9.5
161.09642	4.9
161.13289	1.3
163.11182	2.3
165.09181	1.6
167.23579	1.0
169.10201	2.7
171.10182	2.1
171.11647	2.2
173.11786	2.2
173.13242	1.4
175.11246	3.4
177.12724	4.9
181.12215	1.7
184.07391	3.9
185.13266	1.4
187.11197	5.6
189.11203	12.7
189.12708	1.6
193.12276	1.8
195.13882	1.2
205.12206	6.1
207.13707	1.8
213.14806	1.3
223.13292	51.8
224.13605	3.0
227.12805	13.2
229.14413	1.5
235.13547	1.3
245.19017	1.1
249.14905	3.6
253.14331	2.7
255.17526	1.3
261.15042	1.5
273.18546	12.3
275.20020	4.0
277.03275	1.3
279.16074	4.9
281.17493	2.1
291.19547	100.0
292.19882	6.5
297.16959	45.5
298.17319	3.4
303.01398	2.2
347.22015	3.1
349.23801	2.0
365.23251	30.2
366.23480	2.4
475.30646	2.5
507.29486	1.9
519.33124	3.6
541.34479	1.4
559.36029	2.0
569.34564	4.1
587.35767	54.3
588.36072	8.1
784.44196	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	784.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
56.05029	3.3
59.04996	0.9
65.03909	0.8
67.05505	8.3
69.03410	0.7
69.07063	3.0
70.06575	0.9
71.04975	2.1
71.07374	8.5
79.05492	5.7
81.03410	3.2
81.07066	8.5
83.04951	1.1
83.08573	0.8
86.09708	40.6
88.17178	0.8
88.64548	0.8
91.05479	5.4
93.07043	5.0
95.04975	1.9
95.08606	4.3
97.06550	1.6
102.96564	0.9
105.07021	3.3
107.08614	2.6
108.95827	0.7
109.10182	2.0
119.08566	1.7
121.10133	3.4
125.00043	1.1
129.07027	1.4
131.08578	2.0
133.10133	1.6
146.98167	8.0
147.11726	1.1
149.02312	0.8
149.09561	1.3
153.01851	1.0
175.54384	0.8
184.07339	5.6
243.26135	0.9
283.15143	1.8
303.01163	0.8
323.18268	2.7
434.09818	0.9
548.76624	0.8
601.40729	100.0
602.32428	1.2
602.41095	13.6
616.13751	0.9
625.44690	1.7
668.45605	3.6
686.46814	9.2
725.39984	34.4
726.40228	5.2
766.43225	1.9
784.47064	18.8
785.45862	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	784.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.9
56.05029	4.3
57.07057	1.7
65.03947	1.1
65.80970	1.3
67.05505	13.9
69.03421	1.1
69.07073	2.8
69.86878	4.4
71.04992	2.2
71.07375	14.1
77.55657	1.1
79.05503	9.9
81.03422	5.2
81.07050	14.3
83.05007	2.0
83.08614	2.9
85.06561	1.3
86.09709	68.0
87.10040	1.3
91.05482	10.4
92.03262	1.3
93.07039	5.6
95.05003	2.0
95.08616	7.7
95.52916	1.4
97.06579	1.8
105.07033	5.4
107.08592	4.9
109.06496	1.2
109.10145	3.0
119.08587	3.3
121.10140	3.0
125.00005	2.9
129.07040	1.8
131.08597	2.5
133.10194	2.8
146.98174	21.1
147.11681	2.2
149.09583	2.0
149.13228	1.3
157.10161	1.4
168.97598	1.1
174.72160	1.2
184.07420	7.4
193.12218	1.3
253.14162	3.2
275.20010	1.2
277.03366	2.1
283.15125	2.6
371.46002	1.6
445.15494	1.3
601.40741	100.0
602.41144	12.9
668.45068	3.7
686.46667	19.6
687.47101	1.7
694.42029	2.3
725.39990	87.0
726.40454	14.5
784.46954	32.2
785.47626	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	784.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.8
55.05516	26.9
57.03450	10.3
57.07083	2.2
60.05667	2.0
60.94252	1.2
61.02930	1.6
65.03942	3.9
67.05511	55.2
69.03434	4.0
69.07076	22.0
70.36650	1.2
71.05002	9.8
71.08608	1.4
76.17870	1.1
79.05499	70.7
80.05838	1.9
80.21848	1.3
81.03429	13.5
81.07064	85.6
82.07381	2.4
83.04987	13.5
83.08620	22.4
85.02920	2.4
85.06557	2.7
86.09705	4.7
86.40932	1.3
91.05487	54.2
92.22887	1.4
93.07050	57.0
95.01305	1.7
95.04979	18.8
95.08614	31.2
96.08906	1.6
97.02896	3.2
97.06528	9.5
97.10179	3.3
99.08098	4.3
103.05486	1.5
105.04547	3.4
105.07037	43.3
106.07361	1.7
107.04954	14.5
107.08601	22.9
109.06525	27.9
109.10161	8.5
111.04470	3.9
111.08077	3.9
115.05447	1.9
117.07028	12.1
119.08591	33.3
121.06519	7.3
121.10151	14.1
123.08082	8.2
123.11726	2.2
125.00000	4.4
125.09581	1.5
128.06226	2.6
129.07030	13.8
131.08585	17.8
133.06500	2.6
133.10155	17.7
133.41974	1.5
135.08084	3.7
135.11752	7.2
137.09619	3.2
139.11176	1.5
143.08553	6.5
145.06615	1.8
145.10139	17.9
147.08026	2.7
147.11697	27.7
149.09610	10.3
149.13242	7.0
151.11192	2.8
155.08588	2.3
157.10133	4.1
159.11702	8.9
161.09676	3.9
161.13284	9.1
163.11169	8.6
163.14842	2.6
165.12793	3.6
169.10098	3.7
171.11732	16.1
173.09669	1.5
173.13333	4.9
175.11186	2.0
177.12849	2.2
179.14423	3.2
183.11806	1.9
184.07365	19.7
187.14868	2.0
189.12735	6.5
195.24246	1.2
201.12814	1.2
207.13829	15.3
213.02075	1.2
225.14862	2.1
227.12746	1.8
229.02914	1.4
239.17975	2.0
247.20578	3.6
257.19016	4.8
267.15912	2.5
275.20074	76.3
276.20493	2.7
281.17484	67.5
282.17841	4.4
293.21249	6.0
307.22626	3.8
349.23758	33.5
350.24213	2.4
381.26373	3.6
429.30423	1.4
445.30557	1.9
461.29001	2.5
475.30582	15.3
476.30646	1.6
537.35455	1.6
555.36804	100.0
556.37329	13.6
573.38013	15.0
574.37720	1.9
587.39459	15.9
623.43011	3.4
694.40784	5.1
784.46472	5.9
785.45184	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	784.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.2
55.05513	40.1
57.03429	6.2
61.02951	1.8
63.44461	1.7
65.03944	3.6
67.05506	51.1
69.03439	4.0
69.07066	20.5
71.04998	4.4
73.02921	1.5
77.03923	1.5
79.05495	72.4
80.05837	1.7
80.86612	1.2
81.03414	10.6
81.07057	58.2
83.04981	11.7
83.08617	30.3
85.06566	3.8
86.09717	2.0
91.05483	60.7
93.07045	61.4
94.07373	2.4
95.04971	41.5
95.05563	2.4
95.08607	32.6
96.05294	1.3
97.02897	1.6
97.06524	8.5
97.10159	7.2
98.23391	2.7
99.08109	3.0
103.05488	2.2
105.04531	4.8
105.07033	53.5
107.04972	20.1
107.08595	27.1
107.09277	1.7
109.06532	15.4
109.10157	13.5
111.04485	1.5
111.08091	6.2
115.05490	2.0
117.07021	14.6
119.08592	31.7
121.06522	9.2
121.10134	13.1
123.08052	8.3
123.11693	2.3
125.09645	2.9
128.06224	3.0
129.07016	17.0
131.08571	16.3
133.06514	3.9
133.10143	21.8
135.08084	4.7
135.11713	6.7
137.09605	4.0
141.06947	1.4
143.08549	9.1
143.10716	2.5
145.06482	2.0
145.10120	22.3
147.08043	4.6
147.11693	36.2
148.12079	2.2
149.09630	12.9
149.13222	2.4
151.11201	4.2
155.08562	1.9
157.10136	3.4
159.11655	8.5
161.09627	5.2
161.13272	9.5
163.11188	21.2
165.12718	6.4
169.10173	4.1
171.11711	19.7
173.09628	2.8
173.13322	4.4
175.11156	2.5
177.12793	4.1
183.11749	3.1
184.07379	4.4
187.11255	3.4
189.11282	2.1
189.12810	5.7
193.12341	1.6
197.13304	2.3
205.12302	3.1
207.13823	19.4
213.16251	1.2
217.16052	1.3
223.13268	1.4
227.12877	2.8
229.19476	2.5
239.17825	2.6
247.20538	3.1
257.19043	6.6
263.16324	1.4
273.18692	1.8
275.20065	54.0
276.20471	3.3
281.17484	67.1
282.17813	3.8
293.21069	5.0
331.22586	3.3
349.23730	41.4
350.23904	3.0
353.07547	1.5
381.26352	8.9
383.29962	1.5
397.22729	1.4
401.06424	1.4
445.29636	1.5
448.75662	1.3
460.61499	1.4
510.55786	1.7
537.35602	1.6
555.36804	100.0
556.37091	14.0
573.37897	11.7
574.38171	1.6
587.30426	2.2
587.39410	41.9
588.40070	6.4
623.43011	3.9
625.44275	1.8
764.32043	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	784.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.9
55.05248	1.3
55.05516	24.7
57.03441	8.1
65.03938	3.3
67.05511	42.9
69.03427	2.0
69.07079	13.4
71.05001	9.1
71.09102	2.3
73.06593	1.3
76.57617	1.0
79.05502	57.5
80.05825	1.5
81.03418	7.5
81.07062	74.3
82.07383	1.6
83.04987	9.9
83.08624	19.6
85.02917	1.1
85.06532	2.2
86.09742	3.1
89.50513	1.4
91.05487	46.7
93.07050	42.1
95.04987	14.4
95.08609	28.1
97.06535	4.2
97.10178	3.0
99.08100	3.3
105.04552	2.1
105.07037	33.2
107.04967	10.8
107.08602	17.4
109.06529	30.8
109.10150	5.6
111.04456	3.7
111.08081	2.7
113.09676	1.3
117.07018	9.6
119.08588	27.0
121.06511	7.0
121.10158	9.5
123.08066	7.0
123.11713	4.2
125.09663	1.7
128.06213	2.5
129.07001	10.6
131.02435	1.2
131.08601	8.4
133.06549	1.6
133.10146	15.0
135.08131	3.3
135.11687	6.4
137.09650	3.3
143.08580	5.3
145.10139	11.0
147.08072	1.9
147.11691	26.4
149.09668	7.0
149.13261	4.4
151.11157	3.2
155.08513	1.8
157.10220	2.4
159.11688	6.3
161.09723	2.5
161.13254	7.7
163.11180	7.3
163.14894	2.0
165.12781	2.6
169.10188	1.9
171.11688	10.8
173.13283	3.5
177.12814	1.4
179.35620	1.2
183.11766	1.8
184.07349	5.4
185.54280	1.4
189.12735	5.8
191.14320	1.6
193.12299	1.1
207.13820	13.6
229.19417	1.7
239.17870	1.3
247.20638	2.7
252.38565	1.2
257.19028	3.8
267.15887	1.5
275.20074	50.5
276.20505	3.5
281.17490	59.3
282.17807	1.5
293.21198	4.0
307.22607	3.9
338.33984	1.2
339.28986	1.3
349.23746	22.9
381.26328	10.0
391.24796	2.4
419.32465	1.1
429.30026	2.5
537.35583	2.8
539.57159	1.3
555.36841	100.0
556.37134	13.2
573.37817	11.5
587.39514	26.2
588.39679	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	784.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.05032	0.5
62.83874	0.3
67.05506	2.1
69.03429	0.5
69.07081	1.3
70.55167	0.7
71.08627	1.0
79.05505	2.4
81.03414	0.9
81.07065	3.5
83.05000	0.5
83.08616	0.5
86.09708	100.0
87.10020	2.0
91.05494	2.3
93.07044	2.1
95.04999	0.5
95.08587	1.6
97.02880	0.3
97.06541	0.5
97.58488	0.3
98.09705	1.6
103.05478	1.2
105.07018	3.1
107.04964	0.6
107.08589	1.0
109.06509	1.0
109.10200	0.8
110.13531	0.3
112.11249	8.2
117.07047	0.7
119.08591	1.0
120.08107	45.3
121.08431	1.2
121.10173	0.6
123.07976	0.3
124.88309	0.3
129.07007	0.5
131.08569	0.6
133.10153	1.1
135.11626	0.3
139.12341	0.3
143.08533	0.5
145.10077	0.8
146.09656	2.5
147.11670	0.6
151.11217	0.5
154.15906	19.3
155.16203	0.9
157.12070	0.7
157.13365	11.9
159.11671	0.6
161.22632	0.3
167.11885	0.3
171.11661	0.5
182.48717	0.3
184.07320	0.9
185.12856	13.1
188.14351	7.5
189.94046	0.3
191.11708	0.4
199.18053	15.8
200.18353	0.6
209.16464	0.6
219.11295	1.2
225.19609	7.3
226.19847	0.7
227.17552	12.7
228.17894	0.5
233.16481	15.8
234.16805	0.8
235.18124	0.5
237.16069	0.4
243.14938	0.7
249.30876	0.3
253.14412	1.0
253.19121	6.1
259.17990	2.3
261.15985	14.7
262.16370	0.9
267.24341	7.1
268.24545	0.4
275.20074	1.1
277.22546	0.4
280.20261	0.6
281.17490	0.6
287.17548	2.2
291.19547	0.7
291.22949	0.3
295.23859	4.3
298.21252	7.8
299.21078	0.4
301.22708	6.3
302.22784	0.5
329.22211	3.9
330.22238	0.4
332.19635	5.3
333.19946	0.6
340.25986	2.6
354.41724	0.4
356.23233	0.7
366.27530	2.4
374.24384	4.4
375.24655	0.4
383.29977	1.5
400.26047	2.5
401.25754	0.3
408.32092	0.9
411.29642	4.4
417.28448	1.6
425.34628	0.6
442.30664	1.9
445.22900	0.4
445.28168	5.0
453.34103	0.7
459.32883	1.3
479.35999	2.5
480.36047	0.4
485.34485	0.4
487.32886	2.6
496.38229	0.9
497.31064	0.3
513.34344	4.7
514.34637	0.4
515.32477	0.5
524.38068	4.0
527.39203	0.6
530.37042	3.1
555.39435	1.5
558.36542	9.4
559.36523	1.1
568.34930	0.5
572.41431	0.5
586.35767	0.5
587.35388	0.5
592.44012	1.4
598.42999	0.4
600.40881	1.3
609.46674	0.6
626.33008	0.5
626.42664	6.5
627.42981	1.0
637.45911	1.4
638.46179	0.4
643.45410	5.3
644.45764	0.7
653.43451	1.0
668.46606	0.7
671.44879	12.9
672.45227	2.1
739.50922	3.3
756.53802	4.4
757.53088	1.2
766.52948	1.4
768.84937	0.4
784.53864	4.8
785.52747	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	784.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
57.07069	3.9
60.08162	5.3
67.05495	4.2
69.03815	4.5
69.04238	3.3
69.07076	4.2
71.07366	3.0
71.08623	4.1
73.60353	1.0
75.79519	1.0
79.05496	3.2
81.07069	8.3
83.04997	1.0
83.08627	1.8
85.10200	1.3
86.09715	32.8
87.10055	2.2
91.05483	4.6
91.58757	0.9
93.07041	4.0
95.08610	5.5
97.06556	1.7
98.98482	4.1
104.10756	2.1
105.07049	8.7
107.08628	1.8
109.10181	1.7
117.07043	1.1
119.08580	3.7
121.06490	1.2
121.10124	1.7
125.00017	21.4
131.08609	1.5
133.10059	4.9
145.10103	1.5
147.11710	1.9
159.11656	1.5
169.37857	1.1
173.13208	1.2
179.14339	1.8
184.07352	100.0
185.07727	6.4
186.07799	2.5
196.13269	0.9
275.20145	7.5
313.27383	9.9
331.26425	1.3
335.25598	2.0
348.34094	1.0
349.23666	3.5
387.28717	1.5
438.65717	1.1
587.46667	19.7
588.47009	3.0
643.52551	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	784.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.1
55.05510	0.3
56.05042	0.7
57.07074	0.1
58.06643	0.4
59.07153	0.1
59.07401	0.2
60.08169	6.8
67.05498	0.4
69.07092	0.3
69.56199	0.2
69.56592	0.5
70.06612	0.2
71.06985	0.2
71.07378	3.8
71.08630	0.2
79.05494	0.3
79.67052	0.1
81.07060	0.4
83.08649	0.1
86.09711	31.7
87.10031	0.7
93.55099	0.1
94.69195	0.1
95.08611	0.3
98.98470	4.1
101.08414	0.1
103.80989	0.1
104.10741	1.8
105.07036	0.2
107.08663	0.2
109.10197	0.2
116.99487	0.1
121.88995	0.1
125.00008	21.7
126.00420	0.2
127.00398	0.2
137.74854	0.1
143.01062	0.3
151.49854	0.1
165.00490	0.1
172.59097	0.1
184.07352	100.0
185.07712	2.6
186.07780	0.7
195.00284	0.2
210.97656	0.2
218.64545	0.1
313.27127	0.1
328.26031	0.1
384.76752	0.1
387.28934	0.4
432.52460	0.1
459.68195	0.1
612.46832	0.2
643.52808	0.3
644.52228	0.1
702.25055	0.1
784.58795	1.7
785.50726	0.2
785.58588	0.2
817.91882	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	785.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
68.99802	0.2
69.03428	0.4
71.29023	0.1
76.29794	0.1
79.01854	8.5
80.02186	0.1
81.03419	1.3
83.01351	0.1
87.00829	0.2
95.01322	0.1
97.02900	1.5
97.03514	0.1
107.01318	1.9
109.02883	0.9
117.03387	0.1
123.00816	0.4
125.02349	3.6
126.02651	0.1
127.03923	2.9
131.04918	0.1
133.02859	0.1
135.04398	0.1
143.03400	8.2
144.03781	0.2
147.04451	0.1
153.01830	100.0
153.02866	6.4
154.02158	2.7
154.03259	0.2
157.96313	0.1
159.04408	0.1
161.02342	0.2
163.03889	0.7
165.01851	0.1
166.05086	0.1
173.02321	0.1
177.01895	0.1
179.03406	0.2
181.01324	0.1
187.03926	0.1
189.01797	0.4
191.03394	0.7
193.01387	0.1
201.01833	0.3
203.03438	0.1
205.01390	0.1
205.04904	0.3
207.02910	0.5
217.01341	0.8
218.01979	0.1
219.02908	0.7
220.03336	0.1
221.00862	0.2
221.04332	0.1
229.01343	0.1
231.02756	0.1
233.00928	0.1
233.04384	0.4
233.94954	0.1
235.02371	1.3
236.02733	0.1
239.01894	0.1
245.00780	0.6
247.02388	0.6
257.00909	0.1
258.97641	0.1
261.03973	0.8
263.01834	0.4
273.00223	0.7
274.00833	0.1
275.01889	0.7
279.04922	0.8
291.01404	0.3
300.99780	0.3
303.01425	0.1
319.00833	1.3
337.01898	6.0
338.02243	0.3
361.73645	0.1
379.02975	0.1
389.04736	0.1
398.96228	0.1
403.02673	0.1
419.05438	0.1
427.02844	0.1
445.03897	0.2
463.04926	0.2
489.02966	0.2
543.47717	0.1
785.08264	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	785.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
57.03431	0.5
63.02397	0.3
65.03938	0.3
67.01833	0.2
68.99801	0.6
69.03431	14.4
70.03780	0.3
70.93317	0.4
71.01367	0.5
71.04989	0.5
77.03982	0.3
79.01838	0.4
79.05492	0.9
81.03419	28.3
82.03745	0.9
83.01347	0.7
83.05000	0.2
85.02901	1.4
87.06661	0.2
89.03934	0.8
91.05483	1.7
95.01352	0.5
95.04976	0.3
97.02891	2.8
98.03176	0.2
99.04456	1.4
101.02398	0.4
103.05450	1.6
105.03403	0.4
107.04977	0.8
109.02879	19.3
110.03239	0.6
111.04462	0.5
117.03394	0.7
119.04932	1.1
121.02878	0.5
123.00826	0.2
123.04421	0.3
125.02367	0.3
127.03919	6.5
129.03363	1.0
129.04268	0.2
131.04906	1.1
133.02885	0.8
135.04419	1.0
137.02350	0.7
139.03926	0.4
143.03378	0.3
145.02849	1.4
147.04416	3.8
149.02333	0.4
151.03918	0.2
153.01833	5.5
153.02979	0.2
157.02843	2.2
159.04401	0.7
160.12366	0.2
161.02394	0.5
163.03912	5.5
164.04330	0.3
165.01828	2.2
165.05463	0.4
173.02362	2.2
174.02997	0.5
175.00298	0.3
175.03899	4.4
176.04440	0.3
177.01775	2.4
179.03412	1.5
181.01334	0.7
181.05072	0.3
183.00714	0.3
185.02345	2.3
187.03903	4.8
187.05458	0.4
188.04181	0.3
189.01843	0.6
191.03398	13.8
192.03784	0.6
193.01323	3.4
193.04991	1.0
194.01630	0.2
195.02910	0.3
201.01825	4.8
201.05840	0.2
202.02507	0.6
203.03387	10.3
204.03743	0.3
205.01291	2.5
205.05008	0.4
207.02901	1.2
208.03439	0.3
213.01804	3.7
214.02232	0.3
215.03384	3.9
217.01357	1.0
218.01752	0.4
219.02890	12.4
220.03275	0.8
221.00812	20.0
221.04414	0.8
222.01218	0.7
223.02406	1.5
223.75664	0.2
229.01328	4.1
230.02008	1.2
231.02888	23.1
232.03241	1.5
233.00801	6.1
233.03148	0.3
235.02362	1.1
237.03790	0.3
239.01857	5.2
241.01312	4.0
242.01720	0.4
245.00812	0.5
245.04550	0.3
247.02368	14.9
248.02820	0.8
249.03922	1.3
257.00830	7.7
258.01346	0.7
259.02383	34.0
260.02744	2.4
261.03632	0.4
263.01920	0.4
265.03336	1.1
271.71445	0.2
273.00272	0.3
275.01855	25.6
276.02576	6.9
277.03424	100.0
278.03760	6.6
279.03958	0.9
285.00336	5.1
286.00757	0.6
287.01703	0.4
289.03409	0.9
293.02917	2.9
303.01343	68.5
304.01675	5.3
305.02277	2.0
315.01239	0.4
319.00864	0.4
321.02399	7.4
322.02802	0.4
328.99234	0.4
331.00824	1.0
337.02008	0.4
338.02249	0.7
339.03452	15.5
340.03778	0.9
355.04324	0.4
367.04510	0.5
383.03809	0.3
385.05484	0.6
393.02310	0.3
401.04926	0.3
409.03909	0.6
411.03418	0.6
419.06052	1.1
429.04590	1.5
430.04688	0.3
437.07089	0.5
447.05484	3.2
448.05591	0.4
465.06564	3.4
483.07663	0.5
773.93817	0.3
784.94849	0.4
785.08179	4.8
786.07806	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	785.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	14.0
55.05515	62.0
57.03438	10.7
57.07081	4.7
60.08170	3.2
61.02926	12.9
65.03940	6.1
67.05509	91.0
68.05833	2.4
68.99776	2.1
69.03437	25.8
69.07074	37.6
71.01337	3.1
71.04985	8.8
71.27921	2.3
72.80632	2.0
73.02918	6.1
78.91521	2.3
79.05495	76.6
80.67822	2.1
81.03419	28.7
81.07061	83.9
82.07377	2.8
83.04980	12.7
83.08614	27.9
85.02903	21.4
85.06547	5.1
86.09700	7.3
91.03956	6.6
91.05490	72.0
92.05784	2.2
93.06473	4.4
93.07048	68.8
95.04967	20.0
95.08608	52.9
97.02911	16.0
97.06531	10.7
97.10179	39.1
99.04476	2.6
99.95284	1.8
101.02417	2.5
103.05470	2.7
105.07037	61.7
106.07402	2.0
107.04969	15.7
107.08599	46.4
107.18576	1.8
109.02900	7.2
109.06537	15.4
109.10163	29.2
111.04455	3.9
111.08088	7.2
115.05502	5.3
117.07014	33.8
119.08590	39.5
121.06510	10.8
121.10157	20.8
123.04458	2.5
123.08044	7.2
123.11719	4.6
125.00037	7.1
125.09637	26.6
127.03932	6.2
128.06215	8.2
129.05568	2.3
129.07010	31.8
130.07855	3.6
131.04900	3.6
131.08577	39.5
133.06483	5.1
133.10130	30.8
135.08076	12.4
135.11685	12.1
137.09621	5.6
138.13141	1.9
139.11179	2.4
139.38347	2.0
141.06999	11.9
142.07780	5.6
143.08577	25.8
145.04980	2.5
145.06487	6.6
145.10123	34.7
147.08058	6.0
147.11722	18.4
149.09615	9.6
149.13264	7.7
151.11243	2.7
153.06996	4.6
153.09111	2.8
154.07782	4.8
155.08563	22.3
157.10120	25.0
159.08055	7.1
159.11667	20.7
161.09647	6.9
161.13264	6.6
163.11179	4.2
165.07011	3.6
166.07771	3.4
167.08530	11.6
168.09312	4.6
169.10146	23.2
171.08044	5.2
171.10263	5.0
171.11694	19.7
173.04498	2.3
173.09656	6.4
173.11844	4.2
173.13173	12.1
175.11188	5.1
175.14792	3.0
177.12770	4.5
179.08589	6.8
179.14348	4.1
180.09309	3.1
181.10107	14.4
183.11711	21.5
184.07344	30.6
185.09589	4.5
185.13263	15.5
185.64412	2.2
187.11198	5.9
187.14890	5.3
189.11215	19.9
189.12711	3.2
189.16353	3.5
191.08557	2.9
191.14348	4.2
193.10162	6.8
193.12195	3.5
195.11705	12.1
197.09587	3.3
197.13287	15.9
199.11208	5.0
199.14885	5.5
201.12726	3.7
201.16400	2.6
205.10245	2.6
206.10901	3.1
207.11676	7.2
208.12532	3.1
209.13268	12.2
211.11198	3.7
211.14813	8.3
212.69330	2.3
213.12752	3.9
213.16528	3.2
218.11115	2.2
219.11653	6.0
221.13283	7.0
223.13060	3.2
223.14914	6.1
225.12819	4.6
225.16354	5.9
227.12595	12.9
229.14301	6.2
229.19458	2.2
233.13203	3.7
235.14804	4.9
237.12671	2.5
237.16380	4.1
239.14424	2.3
239.18033	5.0
245.13524	2.9
247.20500	2.5
251.18019	4.7
257.19025	7.2
259.20627	4.3
263.17917	3.4
273.18552	8.1
275.20090	30.7
287.20184	2.8
291.19510	16.8
293.21384	2.9
300.10312	2.1
301.18555	2.2
301.21689	3.2
309.22214	3.9
323.20068	2.2
325.21500	2.7
331.23254	2.5
335.26028	3.3
337.21365	3.1
339.23184	2.7
349.24063	11.7
355.23029	2.3
362.03696	2.1
365.23691	2.2
367.22736	3.0
377.28366	4.3
379.29990	12.7
424.96393	2.2
489.35559	2.6
513.37036	7.5
527.33832	3.8
531.38165	8.1
536.34930	2.7
537.34454	2.6
540.34436	2.7
549.39294	6.5
553.35431	2.8
554.35938	6.1
605.42126	27.7
606.42444	3.0
616.78894	2.8
623.43060	100.0
624.43536	17.2
627.45428	3.1
665.44055	2.5
731.44995	4.2
749.45587	4.9
767.46710	6.6
785.47882	30.2
786.47900	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.0
55.05515	28.6
57.03434	16.4
59.05001	4.1
61.02926	2.6
64.70611	2.1
65.03938	3.4
67.05506	54.6
69.03434	13.0
69.06717	1.9
69.07066	9.0
69.44495	10.4
71.01378	2.2
71.05002	14.0
73.02918	4.5
73.03331	1.7
77.45296	1.9
79.05494	38.8
81.03420	100.0
81.07053	39.9
82.04218	2.0
82.96758	1.9
83.04991	20.8
83.08620	19.6
84.60966	2.1
85.02906	11.8
85.06545	5.7
91.05482	36.0
93.07045	31.8
95.04970	33.8
95.08588	20.8
97.02899	14.9
97.06544	7.7
97.10194	13.3
98.03683	3.7
98.07304	2.9
98.23318	4.4
99.04439	4.7
99.08060	2.6
105.07027	27.3
107.04956	16.6
107.08609	21.1
109.02859	5.8
109.06541	9.6
109.10157	21.0
110.07300	3.5
111.04456	9.5
111.08073	9.7
113.06008	4.3
115.05486	2.0
117.07018	7.9
119.04888	2.9
119.08587	21.4
121.02907	2.6
121.06519	11.5
121.10162	14.6
123.04416	6.7
123.08052	7.9
125.06010	3.1
125.09640	15.8
127.03905	4.5
128.06235	2.7
129.05502	5.7
129.07030	10.7
131.04927	2.6
131.08548	14.9
133.06474	2.8
133.10139	9.4
135.08029	5.1
135.11668	11.3
137.05991	2.1
137.09586	2.5
142.07806	2.3
143.08556	4.8
145.06520	2.7
145.10124	9.4
147.04459	2.8
147.08066	5.4
147.11665	9.5
149.06070	2.4
149.09622	8.3
153.01799	3.8
153.09180	5.1
153.12785	7.5
157.10143	9.2
159.11740	3.2
161.05968	3.0
163.11136	20.6
165.12782	3.3
171.10240	3.4
173.04512	12.9
173.05737	2.7
173.09682	3.2
173.11768	4.2
175.11169	10.0
181.12239	7.9
183.11838	2.5
189.11267	6.5
191.10765	7.3
193.12238	24.4
209.11737	9.2
211.11470	1.9
211.13278	8.9
219.13739	2.8
223.13406	2.2
225.14781	2.7
227.12799	24.3
229.14336	20.7
247.13177	9.8
247.88406	2.5
249.14970	4.9
259.15445	2.3
265.14377	2.6
267.15924	58.8
268.16232	3.1
269.17514	2.3
273.14923	2.7
282.42200	2.0
283.15439	8.6
301.16626	6.3
305.79752	2.0
312.47522	2.6
315.18307	2.9
346.78882	2.5
364.08853	2.3
383.22128	5.1
403.24796	2.9
413.16574	2.2
421.25797	12.4
429.26062	2.9
457.25540	2.8
458.26498	2.4
459.27533	4.0
475.26883	10.2
476.27679	4.3
489.28445	2.8
490.29626	4.0
493.28027	5.7
525.30902	3.5
551.39374	2.3
589.31586	2.2
637.32837	3.7
782.56995	2.2
786.41626	3.2
787.37341	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	786.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.5
55.05516	32.8
57.03431	7.4
60.32550	2.1
62.71063	2.1
64.69238	2.1
65.03931	4.7
65.79765	1.9
67.05507	65.2
69.03427	6.4
69.07074	21.1
69.44598	9.7
69.92583	2.3
71.05006	2.6
79.05499	100.0
81.03423	15.9
81.07062	99.9
82.07357	2.4
83.04992	24.2
83.08618	17.1
85.02931	3.9
85.06552	4.7
91.05480	64.5
93.07043	68.1
95.04984	29.0
95.08613	35.3
97.06527	9.8
97.10179	20.5
98.22712	3.4
103.05512	3.0
105.04523	3.5
105.07029	51.1
106.07388	2.4
107.04958	14.6
107.08609	26.8
109.06532	14.8
109.10162	9.8
111.04458	8.9
111.08090	6.3
114.46001	2.5
117.07020	18.2
119.08593	39.3
121.06515	9.0
121.10154	12.7
123.08063	22.0
125.09632	15.3
128.06201	3.5
128.68661	2.5
129.07011	22.4
131.08551	12.7
133.06464	4.2
133.10129	17.6
135.08067	9.2
135.11714	9.2
137.09618	4.2
143.08557	13.5
145.06509	3.3
145.10123	19.9
147.08078	13.2
147.11694	35.8
149.09624	6.1
153.09071	2.4
153.12770	6.5
155.08524	2.8
157.10100	8.1
159.08098	3.8
159.11749	3.8
161.09630	12.7
161.13269	9.3
163.11221	15.2
165.09152	3.2
171.11664	25.9
173.09636	4.7
175.11159	4.6
181.12325	5.9
189.11185	8.7
189.12767	9.2
191.10635	3.4
193.12285	3.9
195.11818	2.3
207.13818	24.0
223.13248	5.4
227.12813	20.2
245.19002	5.7
255.17432	5.6
273.18518	52.0
274.18796	4.1
275.20020	3.6
279.87878	2.3
281.17502	97.5
282.17960	5.1
283.15332	8.8
291.19547	62.9
292.19946	4.1
309.20752	5.1
347.22098	17.3
365.23260	32.3
383.24243	4.5
451.26794	6.2
553.35254	21.4
557.34747	3.6
571.36267	75.9
572.36206	9.4
589.37714	27.0
590.36963	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	786.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
55.05513	17.4
57.03443	16.9
57.07079	1.7
59.05010	3.0
61.02925	3.4
65.03947	3.1
67.05508	100.0
68.05832	1.7
69.03437	3.3
69.06725	1.7
69.07072	17.9
71.04985	4.4
77.03912	1.2
79.05499	40.8
80.05823	1.6
80.06250	0.8
80.40936	1.1
81.03426	12.0
81.07063	57.7
82.07386	1.3
83.04978	4.1
83.08617	10.4
85.02912	7.6
85.06539	5.1
86.09713	1.0
87.04495	1.2
91.03985	1.4
91.05485	33.8
92.05833	1.5
93.07048	43.3
95.04989	10.1
95.08614	43.5
96.08955	1.4
97.02891	3.6
97.06531	7.3
97.10176	4.4
99.08106	1.7
103.05465	1.0
105.04555	1.1
105.07040	24.0
107.04961	9.3
107.08600	25.0
109.06523	9.1
109.10161	64.3
110.10527	2.4
111.04472	1.6
111.08101	3.3
115.05460	1.1
117.07032	14.1
119.08592	19.4
119.09441	1.1
121.06536	7.6
121.10146	19.1
123.08083	2.7
123.11712	5.4
125.05990	1.1
125.09648	3.2
129.07034	4.0
130.07751	1.0
131.08575	15.7
133.06509	1.2
133.10132	15.2
135.08040	2.8
135.11685	9.2
137.09654	3.5
139.12495	0.9
141.07008	2.6
141.09264	0.9
143.08563	3.8
145.10129	12.5
147.11700	5.6
149.09663	3.4
149.13274	7.4
150.58267	1.0
151.11203	2.1
155.10690	3.1
157.10117	2.9
159.08104	1.1
159.11690	8.8
160.12041	1.0
161.09637	2.1
161.13286	4.0
163.11293	1.5
163.14882	2.6
165.09120	0.9
169.10150	4.1
171.11729	2.3
173.11766	14.3
173.13307	5.1
175.14806	2.6
175.75060	1.0
177.12730	2.9
177.16397	1.5
179.10696	1.7
179.14378	1.4
184.07358	1.6
185.13298	1.8
187.11214	3.6
187.14816	2.9
189.11272	2.0
189.16324	0.9
195.13872	0.9
197.13278	1.3
201.16409	1.7
205.12303	2.3
219.17471	1.1
223.13292	11.6
227.12843	4.0
229.14368	57.0
230.14659	3.5
236.09354	1.1
241.19617	1.6
243.21132	3.5
257.18903	1.1
259.20670	1.6
261.22189	12.2
262.22314	1.3
275.20135	4.3
279.15991	2.9
297.16968	18.5
298.17322	1.4
315.23080	1.9
317.24799	2.4
333.24246	3.9
335.25827	60.9
336.26099	5.3
349.23859	3.1
447.32407	1.6
489.35764	23.1
490.35928	2.2
507.36844	1.6
539.37354	2.3
557.38287	10.9
558.39447	1.2
575.39703	1.6
607.43427	4.5
625.44440	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	786.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.5
55.05517	45.9
57.03440	19.9
57.07077	4.2
57.11108	2.0
59.05002	3.4
61.02934	3.3
65.03947	5.4
67.05511	100.0
68.05864	2.5
69.03433	24.6
69.07072	24.7
71.01345	2.1
71.05003	12.5
71.08646	2.3
73.02927	2.7
79.05499	93.9
80.05842	4.0
81.03426	58.9
81.07063	91.2
82.07420	2.7
83.01363	5.9
83.04984	31.1
83.08630	19.8
85.02914	11.8
85.06577	4.9
86.09729	4.9
91.05486	60.2
93.07049	85.4
95.04979	20.8
95.08619	53.1
96.08936	2.4
97.02897	18.8
97.06538	11.6
97.10195	12.3
98.22652	4.8
99.04469	7.7
99.08096	4.4
105.04513	3.3
105.07034	40.8
107.04262	3.2
107.04953	23.9
107.08603	43.6
109.02876	14.7
109.06521	11.7
109.10165	29.8
111.04467	12.3
111.08094	9.4
115.05447	3.2
117.07024	23.4
119.08588	35.1
121.06531	6.5
121.10150	32.0
122.19344	2.1
123.04462	3.5
123.08084	7.8
123.11722	6.0
125.09654	10.8
127.03931	19.6
128.06229	2.5
129.05482	2.8
129.07004	11.3
130.07808	2.6
131.08583	31.9
133.10153	22.1
135.08060	8.4
135.11681	29.4
137.09666	2.8
139.07533	2.0
143.08571	10.4
145.06523	3.3
145.10121	31.7
147.08064	4.5
147.11682	12.0
148.89284	2.1
149.09656	7.0
149.13298	8.1
153.09126	2.5
153.12735	18.4
155.08577	7.2
157.10068	8.9
159.11719	12.9
161.09663	4.0
161.13298	6.0
163.11179	21.6
163.14838	2.1
167.08667	2.4
169.10165	5.2
171.11650	9.0
173.09679	8.1
173.13289	5.4
175.11206	2.9
175.14856	3.6
177.12698	2.0
181.10110	2.3
181.12254	12.6
183.11655	4.7
184.07408	6.3
185.13255	5.8
187.14873	5.5
189.11304	7.9
191.10638	9.9
193.12221	4.1
195.11639	2.5
199.14906	3.4
209.11720	4.8
223.13113	2.3
227.12805	41.9
228.13164	3.5
229.14392	5.7
243.21207	2.9
259.20587	3.0
261.22211	8.0
263.12744	2.7
265.14355	7.9
267.15918	3.7
273.18518	4.3
275.12778	3.0
275.20227	4.7
276.20438	3.3
283.15411	21.4
299.20526	2.1
299.23584	8.9
315.23203	2.3
317.24844	4.5
333.24277	2.3
335.21771	4.2
335.25821	87.2
336.26233	5.5
347.22137	3.1
353.15866	12.9
369.24463	3.9
397.25732	2.2
427.19644	60.7
428.20190	4.8
433.31244	4.2
451.31876	5.3
469.33014	4.7
482.52451	2.2
525.35645	15.0
543.36847	72.1
544.37061	6.4
687.40991	42.4
688.40997	8.0
693.33630	2.2
705.41644	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	787.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
68.99816	0.2
69.03423	0.5
70.43153	0.3
79.01855	6.1
81.03426	1.8
82.03772	0.2
85.02914	0.3
91.05476	0.5
97.02881	1.4
97.03352	0.1
99.04461	0.2
103.05464	1.0
105.74395	0.1
107.01339	1.1
108.74873	0.2
109.02883	1.7
115.68277	0.2
119.04947	0.7
123.00777	0.2
125.02346	2.8
126.99600	0.2
127.03908	2.3
127.04774	0.2
129.03398	0.4
131.04932	1.2
141.01933	0.2
143.03401	5.4
145.02896	0.3
145.04887	0.2
147.04375	0.9
151.03871	0.2
153.01834	63.3
153.02917	4.2
154.02184	2.1
155.02155	0.2
157.02844	1.5
157.59192	0.1
159.04378	0.8
161.06001	0.2
163.03944	0.7
171.02994	0.9
173.02371	0.6
175.03918	2.2
177.05577	0.3
179.03413	0.4
185.02344	1.6
185.54816	0.2
187.03896	4.4
189.05482	0.5
189.25269	0.1
191.03403	1.6
193.04921	0.2
195.02843	0.2
197.00752	0.2
201.01863	0.7
202.02483	0.3
203.03398	3.3
205.04961	1.0
206.54213	0.2
207.02902	0.5
209.04468	0.3
213.01836	3.8
213.03806	0.3
214.02228	0.3
215.03391	3.9
216.03772	0.2
217.01256	0.2
219.02927	1.0
221.00687	0.3
222.01309	0.2
229.01395	0.7
230.02043	0.5
231.02892	19.0
232.03244	1.1
233.04517	1.4
237.03925	1.8
241.01299	3.2
247.02455	1.3
249.03885	0.2
253.26324	0.2
257.00864	1.8
258.01453	0.2
259.02390	31.6
260.02695	2.0
261.03979	1.4
267.05035	0.4
275.01859	2.0
276.02460	0.8
277.03430	100.0
278.03769	6.6
279.04898	1.0
285.00229	1.1
297.06042	1.5
303.01355	20.7
304.01706	1.6
305.01953	0.5
321.02405	1.1
328.99493	0.2
331.00644	0.2
339.03366	0.2
341.03937	0.2
355.04663	0.3
363.03625	0.3
377.65979	0.2
429.04477	0.5
449.07129	0.5
460.72964	0.2
467.08389	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	787.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.5
57.03440	2.7
61.02925	2.8
67.95473	0.5
69.03080	0.7
69.03429	8.7
70.89418	0.8
70.89746	0.5
71.01333	0.8
71.04992	1.0
73.02896	1.8
77.03891	0.5
81.03420	3.7
85.02907	18.5
87.04457	1.4
91.05483	10.0
93.06481	1.0
93.07045	14.0
95.04971	3.2
97.02912	5.5
98.23267	0.5
99.04447	1.7
101.02383	1.0
103.05466	9.3
105.04501	1.7
109.02890	2.7
119.04883	0.7
120.58129	0.4
121.06508	100.0
122.06817	2.4
123.04401	0.8
125.05909	0.6
127.03899	2.7
135.24390	0.5
141.03349	2.9
145.04955	1.3
145.06441	0.9
146.05986	1.1
149.05940	1.0
153.01826	0.9
158.03613	0.6
159.50208	0.5
164.07072	7.2
173.05994	1.0
177.05463	0.8
186.03041	0.7
189.06927	0.6
191.07027	2.8
194.07286	1.2
201.05379	88.7
202.05713	3.8
205.06526	3.5
206.07217	0.7
207.07971	0.8
211.07480	0.8
219.07997	2.3
220.05176	2.5
220.08562	0.5
221.05873	1.6
222.06712	2.9
233.05998	3.4
234.06728	4.0
235.05318	0.9
235.07532	11.7
236.08075	1.1
237.05511	1.1
237.09120	13.5
238.09546	0.8
239.06935	1.0
244.06096	2.9
247.07617	3.7
248.04686	4.1
248.07152	0.5
248.08243	0.6
249.05484	3.5
250.06277	5.5
251.06874	1.2
252.07913	1.0
254.09410	0.7
261.08978	0.6
263.07040	20.1
263.09866	1.0
264.07617	2.8
265.05109	2.7
265.08600	34.8
266.09109	3.2
267.06473	1.5
267.10089	0.7
276.04181	1.1
278.09250	0.5
279.06458	0.5
279.10217	1.1
280.07294	7.0
280.10800	1.7
281.07932	0.7
282.08859	36.0
283.09167	1.7
291.06488	22.9
292.06863	1.7
293.08264	0.7
295.09619	1.4
297.11212	26.5
298.11530	2.1
299.09293	0.7
306.08850	1.0
307.55783	0.6
308.06784	3.3
312.06180	0.7
313.10724	2.9
321.11005	0.5
323.09140	74.6
324.09473	5.2
327.08652	0.7
334.39328	0.6
341.10382	0.7
364.11792	25.8
365.11618	1.9
368.11041	0.7
460.17542	64.5
461.17938	6.2
485.14374	4.3
488.17035	32.8
489.17319	4.0
622.22809	14.7
623.23029	2.2
650.22308	82.9
651.22614	11.3
720.05023	0.6
787.27124	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	787.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03421	2.4
59.75429	0.5
61.02925	2.8
62.79823	0.6
64.60896	0.5
66.34608	0.5
66.35433	0.5
69.03100	0.7
69.03435	10.7
71.04965	1.1
73.02898	1.9
77.07571	0.5
77.62257	0.6
81.03416	3.1
85.02450	1.2
85.02913	17.6
87.04438	2.0
91.05490	9.6
93.07056	15.8
95.04972	4.3
96.10394	0.5
97.02902	5.3
98.23404	1.1
99.04443	2.1
101.02345	0.8
103.05469	11.9
104.05868	0.7
105.04478	2.2
109.02869	1.8
116.00381	0.5
121.06512	100.0
122.06812	2.6
123.04438	0.9
125.05962	1.1
127.03931	3.5
141.03329	2.3
145.04974	1.3
149.05934	1.1
153.01837	1.5
164.07069	6.4
177.05424	0.9
186.03171	0.8
191.07034	4.7
194.07246	1.5
201.05391	85.6
202.05748	4.3
205.06464	2.8
219.08028	2.1
220.05214	3.5
221.06067	0.8
222.06715	2.4
229.62349	0.8
233.06020	2.9
234.06717	4.5
235.07558	12.8
236.07982	0.9
237.09100	12.4
239.07027	0.8
244.06023	3.9
247.07553	3.9
248.04672	4.0
249.05368	2.8
249.09180	0.6
250.06236	4.0
251.06912	1.3
252.07932	1.2
263.07077	21.2
264.07700	3.0
265.05063	3.5
265.08603	33.7
266.09070	3.4
267.06641	1.8
267.09702	0.7
275.73801	0.7
279.10196	1.6
280.07291	7.1
280.10553	1.0
281.07730	1.0
282.08875	33.2
283.09253	1.9
291.06512	20.7
292.06909	1.3
294.08902	0.7
295.09564	2.2
297.11230	25.3
297.67471	0.7
298.11594	1.4
299.09186	0.8
308.06769	3.7
313.10806	4.1
323.09146	71.3
324.09467	4.9
364.11810	21.8
364.15240	0.5
365.10645	1.2
380.45197	0.7
460.17566	66.9
461.18011	5.5
467.98624	0.6
485.14322	4.9
488.17068	29.3
489.17465	3.0
622.22815	17.2
623.22754	1.5
650.22333	81.0
651.22644	10.3
676.52502	0.8
787.30359	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	787.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	18.4
55.05515	33.9
56.05834	1.8
57.03439	12.2
57.07075	2.1
59.05007	2.2
61.02927	2.9
61.49197	1.4
64.96693	1.3
65.03949	3.6
67.05507	100.0
68.05841	9.1
69.03439	5.0
69.07072	34.9
71.04999	6.2
71.29921	1.4
73.02943	2.2
77.03938	1.6
79.05497	62.4
80.05834	3.1
81.03423	12.2
81.07060	80.3
82.07391	4.3
83.04982	8.6
83.08623	12.2
85.02922	5.5
85.06553	4.7
91.05486	70.8
92.05813	4.8
93.07049	59.1
94.07368	6.8
95.01322	4.7
95.04972	13.7
95.08610	53.1
95.09238	1.8
96.08952	5.9
97.02918	2.4
97.06537	24.2
97.10181	5.9
99.08112	3.6
103.05474	2.6
105.07035	73.0
106.07362	4.5
107.04955	15.3
107.08598	31.8
108.08928	2.0
109.06529	9.2
109.10159	40.2
110.10478	6.8
111.04428	2.2
111.08103	4.3
115.05442	2.1
117.07014	21.3
119.08585	46.5
120.08965	2.8
121.06541	7.5
121.10146	23.3
122.10493	2.3
123.04396	2.5
123.08083	5.5
123.11696	3.5
125.09609	4.0
128.06250	2.3
129.07010	11.3
131.08575	29.2
132.08900	1.7
133.06494	3.2
133.10136	34.8
134.10471	3.5
135.08084	4.3
135.11703	16.5
137.09625	4.8
139.11165	1.8
141.06982	3.2
143.08569	8.4
145.06442	1.7
145.10136	24.2
147.08095	3.2
147.10577	2.6
147.11697	22.9
149.09633	5.7
149.13280	8.9
155.08528	2.9
155.10667	1.7
157.10162	7.9
159.08096	2.4
159.11684	16.4
160.11995	1.9
161.09544	3.7
161.13268	10.0
163.11201	4.7
163.14857	2.6
165.09222	1.9
169.10196	5.6
171.10364	2.3
171.11734	7.8
173.11743	8.4
173.13306	8.8
175.14879	5.0
177.12750	4.0
179.14294	5.0
183.11717	4.3
184.07321	2.3
185.13258	6.2
187.11227	4.3
187.14803	1.6
189.11244	1.8
189.12790	2.1
195.11687	2.4
197.13199	1.9
199.14833	4.3
201.16515	1.9
205.12260	2.0
205.66907	1.5
215.18051	1.7
219.17409	1.6
223.13263	6.5
224.13577	2.7
227.12880	3.3
229.14345	28.4
230.14601	12.5
239.18082	1.8
241.19481	10.6
243.21143	3.5
247.20508	2.7
257.19049	5.0
259.20590	16.1
260.20834	2.1
260.46313	1.9
261.22208	7.3
262.22433	3.7
273.18430	8.2
275.20090	44.3
276.20496	3.0
277.21640	2.3
279.16129	2.4
289.21686	1.5
291.19550	3.2
293.21155	2.1
297.16806	9.8
298.17419	5.8
315.23196	4.5
333.24228	28.5
334.24551	2.2
335.25839	30.9
336.26169	28.3
349.23767	20.6
489.35590	6.0
490.36179	13.5
492.04233	1.5
511.37866	1.9
540.37634	2.1
558.38666	7.1
606.11176	1.5
607.43378	27.3
608.43683	4.6
625.44781	10.3
715.45465	2.5
787.48010	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.5
55.05511	31.8
57.03444	24.3
57.07074	4.5
61.02930	5.2
65.03931	6.1
67.05507	92.1
68.05831	4.2
69.03428	9.5
69.07069	23.8
71.04984	6.1
71.08625	1.7
71.80963	1.3
73.02928	2.9
79.05496	73.0
81.03420	100.0
81.07060	91.7
82.03756	3.0
82.07381	4.8
82.82096	1.6
83.04984	10.4
83.08625	28.8
85.02910	6.3
85.06578	3.7
86.09715	4.5
91.03951	2.0
91.05485	56.1
91.19236	1.5
92.05791	1.8
93.07041	72.5
94.07399	2.4
94.76041	1.8
95.04971	36.3
95.08609	59.2
96.08936	1.9
97.02888	6.1
97.06535	9.8
97.10175	10.0
98.23363	2.7
99.04491	1.4
99.08101	2.3
103.05453	1.8
105.04525	2.7
105.07033	47.9
106.07373	4.1
107.04949	7.6
107.08604	36.2
108.08936	1.8
109.02898	4.9
109.06538	9.1
109.10154	24.2
110.10450	1.8
111.04424	2.0
111.08101	7.9
115.05460	4.1
117.07012	15.5
119.04971	2.0
119.08586	31.5
120.08938	2.4
121.06534	7.2
121.10145	34.4
123.04462	1.9
123.08067	6.1
123.11702	8.2
124.99980	2.7
125.09624	6.9
127.03925	2.6
128.06245	3.3
129.07018	19.4
131.08574	24.4
131.09496	2.1
132.08955	2.1
133.06500	6.3
133.10150	20.5
135.08066	2.9
135.11679	16.0
137.09625	6.1
137.13258	3.0
139.11220	2.5
141.07037	3.9
142.07773	4.7
143.08562	6.4
144.08855	2.4
145.06477	1.6
145.10109	16.7
146.10469	1.9
147.08098	3.1
147.11682	21.7
149.09586	6.8
149.13269	9.1
151.11197	3.8
155.08492	4.0
157.10144	16.3
158.10545	1.9
159.07991	1.9
159.11697	11.3
161.09612	4.1
161.13266	8.8
163.11177	4.3
163.14870	3.5
165.12801	3.0
169.10175	2.3
171.11722	6.5
173.04477	1.9
173.13257	9.4
175.11212	10.3
175.14824	3.3
177.09093	1.6
177.16490	1.4
178.07864	1.4
183.11664	3.6
184.07350	14.0
185.13191	3.3
187.14836	2.8
189.11266	3.5
189.16345	1.7
193.12256	30.5
195.13556	1.8
199.14859	2.4
201.16438	1.7
203.14189	1.6
209.13286	1.8
211.13251	3.0
213.16493	1.6
227.12807	6.3
229.14362	2.6
233.22673	2.2
241.19563	1.7
243.21121	7.8
249.14917	4.6
261.22144	22.6
262.22549	2.2
267.15915	98.0
268.16324	4.6
273.18735	2.7
275.20087	4.9
276.20218	2.3
281.17609	1.7
287.64243	1.5
295.86841	1.6
301.25238	5.1
309.17242	1.6
317.21194	1.6
317.24750	5.5
331.17517	4.2
335.25797	93.3
336.26172	7.8
349.23740	1.7
350.23831	2.1
421.25940	3.2
435.27359	2.4
435.32874	3.5
453.33591	9.3
471.34897	2.2
484.34409	1.6
496.83527	1.7
514.36768	1.9
527.37354	45.2
528.37683	7.8
545.38440	35.4
546.38660	4.1
569.38416	3.4
591.38843	3.4
608.43475	6.6
626.44617	7.5
708.99756	1.9
770.46997	1.7
788.49249	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	788.477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.3
55.05513	30.3
57.03441	23.6
57.07074	2.4
60.08158	2.5
61.02927	3.7
65.03939	5.2
67.05506	90.5
68.05820	2.0
69.03422	8.0
69.07068	21.4
71.01322	2.0
71.04978	5.6
71.27927	2.7
73.02900	2.7
79.05497	64.8
80.05805	1.9
81.03419	100.0
81.07059	89.9
82.07388	4.7
83.05007	9.4
83.08621	28.1
85.02898	4.5
85.06533	4.0
86.09706	7.3
86.17168	1.5
91.05486	54.9
93.07046	74.5
94.07394	2.2
95.04969	33.8
95.08610	59.0
96.08956	3.8
96.17439	1.7
97.02890	4.4
97.06524	6.0
97.10187	8.7
99.04498	2.4
99.08098	3.6
103.05521	1.9
105.04518	2.6
105.06377	3.1
105.07030	38.4
107.04955	7.7
107.08595	32.1
108.08957	2.2
109.02898	2.6
109.06549	9.3
109.10159	24.3
110.10480	2.7
111.04444	2.9
111.08086	7.7
115.05399	3.0
117.07030	12.2
119.08585	36.7
121.06511	7.5
121.10144	26.5
123.08064	5.7
123.11691	9.2
124.99950	4.6
125.09624	5.5
128.06239	2.3
129.06998	17.5
131.08578	25.5
133.06516	4.9
133.10138	21.1
134.10477	3.1
135.08012	4.7
135.11703	17.0
137.09613	3.2
137.13234	3.5
141.06990	3.8
142.07739	2.8
143.08586	6.5
145.06467	2.2
145.10126	12.5
147.08054	5.1
147.11685	19.9
149.09558	8.0
149.13235	6.2
151.11140	3.0
155.08519	2.7
157.10129	12.5
159.11722	10.5
161.13277	6.5
163.11217	3.6
163.14815	4.8
165.12755	4.5
167.08667	1.7
169.10191	3.5
171.11725	6.2
173.11894	2.3
173.13231	8.4
175.11209	11.3
175.14714	2.3
177.16516	1.7
179.14262	2.1
183.11681	2.0
184.07341	23.5
185.13301	2.9
187.14803	3.1
189.11276	3.1
191.10683	2.6
193.12254	24.6
197.13338	2.2
198.28850	1.6
199.14781	2.2
201.16405	2.2
207.13829	3.7
209.13239	1.9
227.12773	6.8
243.21095	5.4
249.14711	3.7
252.15500	2.1
259.20685	1.9
261.22174	19.6
267.15912	89.6
268.16306	4.5
275.20013	5.6
279.23026	2.2
281.17477	7.1
299.14856	2.8
301.25162	4.3
317.24625	2.0
335.25818	73.9
336.26199	4.4
385.21335	3.7
435.27249	2.8
435.32419	2.4
453.33676	5.5
459.72748	1.6
471.34824	1.7
527.37341	47.2
528.38104	3.6
545.38495	25.5
546.38580	4.9
555.36188	2.6
559.36584	3.0
569.38275	3.0
591.33667	11.0
608.43658	2.6
611.46161	2.8
626.44598	3.6
629.47394	5.1
788.45996	3.2
810.05524	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	788.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.1
55.05514	14.1
57.03450	8.4
57.07066	1.9
59.53067	1.6
63.36499	1.5
65.03916	1.8
67.05178	2.8
67.05509	31.0
69.07073	17.5
69.64469	7.2
71.05008	3.4
79.05499	32.7
81.02992	1.2
81.03420	36.3
81.03864	2.8
81.07058	56.6
83.04997	6.3
83.08630	10.7
85.02920	3.7
85.06569	2.2
86.09700	3.5
91.05486	37.8
93.07060	26.5
95.01330	3.4
95.04975	15.4
95.08608	17.0
97.02920	2.1
97.06535	7.6
97.10181	3.2
98.23282	2.0
99.08099	2.2
105.07031	35.3
107.04983	8.8
107.08607	14.4
107.55498	1.7
109.06535	15.9
109.10163	8.2
111.04453	2.5
111.08110	4.3
115.05470	1.9
117.07050	8.0
119.08585	28.0
121.06467	2.5
121.10152	10.1
123.08100	4.7
123.11711	3.1
125.00008	3.2
129.06979	5.2
131.08583	13.9
133.06500	2.8
133.10150	22.2
135.08121	2.4
135.11725	5.8
135.81931	1.7
137.09674	2.9
142.07751	2.0
145.10104	9.6
147.08064	3.2
147.11702	12.5
149.09624	7.4
149.13246	3.9
155.08517	2.0
157.10126	5.3
159.11714	6.1
161.13324	3.8
163.11153	2.8
165.09084	1.5
171.11713	1.9
173.13258	2.4
175.11255	4.3
179.14330	4.1
184.07367	10.3
193.12257	8.9
211.13335	7.7
219.17281	2.7
228.03325	1.9
239.18213	2.3
267.15924	36.7
275.20102	36.7
285.16888	8.1
293.20963	3.0
349.23752	22.9
381.26440	5.9
489.35443	2.5
541.35278	100.0
542.35657	11.5
559.36188	9.5
577.36163	2.1
591.38599	7.5
611.45978	3.5
759.27814	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	788.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.7
55.05516	18.7
57.03437	5.6
57.38597	3.6
58.72773	3.5
67.05511	24.6
69.07081	20.0
71.04980	7.6
71.30511	6.6
78.85589	4.4
79.05481	22.5
80.03862	3.7
81.03414	45.0
81.07054	51.1
83.08617	10.3
85.02895	4.8
89.96139	3.9
91.05487	34.9
93.07047	22.8
95.04942	19.2
95.08601	18.0
97.06496	8.3
105.07033	43.4
107.04931	9.9
107.08604	11.6
109.06484	10.1
109.10159	12.6
111.08083	6.6
116.64967	3.3
117.06993	7.3
119.08580	22.3
121.06425	4.0
121.10152	12.8
129.07034	11.7
131.08580	15.1
133.10107	24.3
135.11743	6.0
145.10135	8.9
147.11662	13.0
149.09610	7.2
157.10071	4.7
159.11609	5.6
163.11198	4.1
184.07359	10.2
193.12277	10.1
267.15891	44.3
275.20078	34.4
285.16962	10.7
292.18869	4.2
292.69324	4.3
300.82574	3.9
349.23654	21.8
391.54849	4.6
505.38156	4.3
541.35248	100.0
542.35388	12.2
559.36096	6.1
591.38959	5.5
600.78528	4.0
789.40149	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	788.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.8
55.05242	1.1
55.05513	22.8
57.03438	10.1
57.07066	1.4
59.04991	1.7
61.02931	2.3
65.03938	3.7
67.05508	82.5
69.03435	7.1
69.07072	18.6
71.04600	2.0
71.04994	38.2
71.28522	1.4
73.02905	1.8
79.05493	47.1
80.05858	1.4
81.03423	23.9
81.07059	100.0
82.07391	3.0
83.04988	12.1
83.08622	10.0
85.02912	3.8
85.06532	10.5
86.09693	1.5
88.80968	0.9
91.05483	68.7
92.05826	1.9
93.07048	43.5
93.07633	2.2
94.07374	1.2
95.04977	12.9
95.08607	22.6
97.02879	2.7
97.06523	11.3
97.10172	3.1
99.04474	3.1
99.08117	2.9
103.05485	1.3
105.04527	2.1
105.07034	47.8
106.07375	2.2
107.04962	7.8
107.08598	47.3
108.08905	2.1
109.06527	9.7
109.10160	44.7
111.04419	2.9
111.08102	6.4
113.06036	2.7
115.05470	1.5
117.07001	10.2
119.08565	16.0
121.06528	9.1
121.10147	13.6
122.10494	1.0
123.04450	1.4
123.08033	5.0
123.11704	17.0
124.99979	1.2
125.09622	3.2
127.07534	2.8
128.06200	1.7
129.07043	3.8
131.08578	14.1
133.06487	4.9
133.10129	65.4
134.10432	2.5
135.08070	6.6
135.11690	10.1
137.05936	1.4
137.09666	3.3
139.07549	1.5
143.08583	4.9
145.06506	1.8
145.10130	8.0
147.08046	3.4
147.11691	6.1
149.09575	5.6
149.13264	7.1
150.58215	1.2
151.11183	32.8
152.11476	1.6
153.12802	1.4
157.10152	4.9
159.11691	8.4
161.09613	6.7
161.13248	2.9
163.07607	1.4
163.11180	3.5
167.08551	1.3
169.10130	2.5
169.12213	5.0
171.11710	3.8
173.09595	1.9
173.13293	2.3
175.11205	2.5
177.12650	2.8
179.10690	2.1
181.12241	1.6
183.13840	3.2
184.07335	7.6
185.13344	2.2
187.11000	1.3
187.13316	3.3
188.44360	1.2
193.12256	2.1
195.13791	2.5
215.12758	3.1
221.11743	1.6
221.41519	1.2
223.13440	1.2
225.14882	3.9
243.15990	1.9
244.18279	1.2
245.19151	2.2
251.12767	2.0
253.14354	75.2
254.14658	2.5
255.17482	2.2
257.17593	2.8
263.20200	2.0
267.15909	5.7
269.17484	6.1
273.18423	14.5
275.20120	5.5
285.17007	3.2
291.19556	18.4
301.20062	24.5
306.33002	1.2
309.20398	1.2
313.16364	1.3
333.24179	1.3
335.25809	12.1
343.18243	1.1
347.22208	6.0
349.23593	2.6
365.23236	12.8
375.97147	1.1
391.90021	1.2
421.26147	5.4
451.26941	2.1
453.28458	26.5
454.29034	1.7
465.28546	5.0
479.30234	1.7
497.31241	5.0
515.33795	9.2
527.37134	1.9
531.23254	1.2
533.34698	50.4
534.35028	5.8
541.35211	8.0
547.36365	9.5
559.36328	26.3
560.36566	3.3
573.37799	2.2
577.36975	1.4
591.38885	32.4
592.38971	3.7
621.91217	1.2
626.45215	1.5
640.42505	1.2
789.43646	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	788.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
55.05510	12.4
57.03438	7.1
57.07049	1.6
65.03941	2.3
67.05505	31.5
69.03420	3.5
69.07081	9.5
71.04992	3.3
76.44598	1.1
79.05495	32.4
80.05787	1.4
81.03418	36.6
81.06577	2.4
81.07057	32.3
83.04983	9.3
83.08625	11.0
84.76379	1.0
85.02901	12.4
85.06557	2.0
86.09705	1.6
91.05480	25.8
93.07044	28.0
93.19229	1.1
94.07408	1.2
95.04960	12.8
95.08606	22.4
96.08930	1.3
97.02889	4.0
97.06541	3.8
97.10161	5.0
103.05429	1.2
105.07025	17.2
106.07362	1.1
107.04942	5.1
107.08601	14.8
109.06509	3.4
109.10145	9.1
111.04404	1.5
111.08082	4.3
117.07028	4.7
119.08584	15.9
121.06523	1.7
121.10152	13.4
123.08075	1.2
123.11701	3.2
125.09656	2.0
129.07002	3.0
131.08574	9.8
133.06480	1.7
133.10141	6.8
135.08058	2.0
135.11688	4.9
138.06389	1.5
142.07784	2.0
143.08543	1.6
145.10156	3.6
147.08011	1.4
147.11685	7.8
149.09622	3.6
149.13287	4.2
157.10130	6.7
159.11693	3.1
161.13297	2.1
173.13373	1.2
175.11179	4.6
184.07420	5.7
193.12251	17.1
211.13283	19.8
227.12904	1.1
229.14395	1.5
261.22202	2.2
267.15927	14.1
273.18546	1.2
274.18848	1.5
275.20276	2.5
285.17001	5.1
335.25717	18.8
336.26157	1.8
386.36221	1.3
402.98911	1.2
429.21115	8.2
527.37201	7.1
545.38379	100.0
546.38678	12.2
609.44824	3.1
689.42065	5.0
690.42194	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	788.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05516	20.9
57.03438	23.5
57.07074	4.6
60.08157	5.8
61.03002	3.4
67.05508	61.4
69.03436	3.7
69.07072	17.0
71.07388	5.1
71.18395	2.6
79.05500	47.4
79.05946	2.3
81.03425	90.5
81.07061	62.8
83.04993	6.6
83.08621	25.9
85.02906	3.8
86.09706	32.1
86.94108	2.7
91.05481	43.4
93.07051	51.2
95.04967	28.6
95.08614	38.9
97.02913	2.9
97.06535	5.3
97.10181	10.4
98.98472	4.8
105.07034	31.7
107.04961	12.2
107.08593	24.6
109.06539	6.6
109.10153	17.7
111.08086	9.8
117.07043	10.3
119.08582	27.0
121.06532	4.8
121.10144	23.5
123.08090	3.8
123.11721	7.7
124.93815	4.3
124.99996	20.4
125.09669	5.1
129.07001	14.5
131.08574	24.9
133.06433	2.9
133.10114	14.1
135.08072	4.0
135.11710	10.1
137.09656	3.0
142.07831	2.6
143.08574	3.1
145.10129	12.5
147.08058	5.7
147.11670	15.9
149.09677	3.1
149.13374	4.5
157.10114	10.3
159.11737	7.8
161.13344	6.2
163.11169	4.8
164.06429	2.5
165.12770	4.3
167.17809	2.5
171.11842	2.8
173.13229	3.2
175.11224	8.1
184.07355	94.0
184.08951	6.0
187.14986	2.8
189.11295	6.6
193.12192	18.7
199.14909	2.7
205.12138	3.4
227.12825	8.8
243.21065	5.8
261.22198	14.7
267.15918	100.0
301.25287	9.5
335.25793	77.9
336.26077	6.9
405.10541	3.1
435.27231	3.7
435.32510	6.6
453.33618	7.3
471.34756	7.0
473.33591	3.2
503.49466	3.3
509.35995	3.4
527.37360	54.2
528.37537	6.7
545.38452	33.8
546.38788	6.8
647.48236	5.5
788.51245	4.5
789.42194	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	788.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05514	17.5
57.03430	5.6
57.07069	1.8
59.04973	1.6
61.02926	3.5
65.03949	3.2
67.05509	40.1
69.03449	1.9
69.07071	14.4
69.55305	2.2
69.55721	4.6
71.05006	3.1
73.02919	2.8
76.19013	1.2
79.05498	27.6
81.03416	4.0
81.07062	33.6
82.07383	1.8
83.04990	1.9
83.08620	12.0
85.02910	4.6
85.06541	2.9
86.09710	4.1
91.03947	2.7
91.04955	2.6
91.05486	23.0
92.05807	1.8
93.07044	25.6
94.07370	1.5
95.04974	5.4
95.08614	26.2
97.02892	3.1
97.06544	4.2
97.10182	5.6
105.07030	21.5
107.08608	14.6
109.06494	2.5
109.10165	15.8
111.08092	2.0
115.05462	2.3
117.07024	11.2
119.08579	18.3
121.06519	1.3
121.10172	11.1
123.08084	3.6
123.11698	2.4
125.00064	2.3
125.09649	1.6
128.06261	1.8
129.07019	10.9
131.08560	18.4
133.10139	15.7
135.08084	2.8
135.11699	6.5
141.07011	5.8
142.07855	1.8
143.08572	14.7
145.10135	13.3
147.11682	8.1
149.09570	1.5
149.13327	3.4
153.07068	1.6
155.08548	11.3
156.09332	1.8
157.10138	14.9
158.10750	1.7
159.11732	12.4
161.09683	1.4
161.13251	4.6
165.06990	1.6
165.82599	1.2
167.08603	4.3
168.09335	1.7
169.10149	15.6
169.28888	1.2
171.11702	9.9
173.13184	7.8
175.14848	2.8
179.08594	2.5
181.10133	7.6
183.11697	16.3
184.07402	10.8
185.13240	9.6
187.14839	5.0
193.10184	2.6
195.11679	8.3
197.13329	10.3
199.14856	7.1
201.16269	2.1
207.11659	3.2
209.13264	9.3
211.14799	6.9
213.16412	4.5
221.13249	2.7
223.14825	5.3
225.16396	6.5
227.17946	2.6
229.14470	1.4
233.13220	1.7
235.14905	2.6
237.16464	3.9
239.18021	1.7
251.14378	1.4
251.17953	2.3
253.19481	1.5
267.15735	1.9
275.20328	1.7
297.22305	1.7
323.23807	1.9
333.24295	2.6
335.26059	3.2
336.26169	1.6
349.25220	2.0
351.26828	2.2
361.24570	1.7
391.30179	2.4
499.39026	1.9
517.40588	9.1
518.40082	1.5
531.23553	1.7
535.40985	5.0
539.37286	2.8
573.42749	2.4
591.43921	16.8
592.44159	2.7
607.43439	1.8
609.45142	100.0
610.45428	14.1
626.45050	1.6
647.46405	1.5
753.49286	1.6
771.49097	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	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.6
60.08162	5.1
63.07815	0.4
67.05506	0.9
70.45457	0.4
71.07370	3.3
71.29616	0.5
78.66673	0.4
81.07039	0.8
83.08661	0.4
86.09706	28.3
87.10015	0.7
91.05437	0.7
93.02982	0.4
95.08595	0.4
96.80464	0.4
98.98464	3.6
101.70930	0.5
102.53755	0.4
104.10734	2.8
110.83273	0.4
124.99080	0.7
125.00005	18.4
184.07343	100.0
184.28178	0.5
185.07739	1.4
191.39305	0.4
207.79016	0.5
247.72568	0.4
254.27501	0.4
748.61426	0.5
788.54694	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	788.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
56.05043	1.0
58.06617	0.6
60.08166	6.3
67.05509	0.7
71.07375	4.5
81.07051	1.1
86.09712	32.7
91.05490	0.6
93.07034	0.5
97.56591	0.4
98.23478	1.0
98.98470	4.1
104.10738	1.9
121.10130	0.4
125.00012	25.6
130.84651	0.4
136.06111	0.4
141.80389	0.4
145.39343	0.4
184.07356	100.0
185.07678	2.0
198.97412	0.6
257.10043	0.5
289.83694	0.5
571.47119	0.8
788.55219	2.8
789.52979	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	789.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.9
67.05528	3.6
69.20943	12.7
70.06612	2.6
71.49751	1.9
72.03556	1.8
79.05506	5.9
81.03432	4.9
81.07048	1.9
82.06573	2.6
85.02919	3.7
86.09737	2.3
89.83121	2.1
91.05475	6.9
93.05795	2.7
93.07048	8.0
94.06575	13.1
95.04979	2.2
95.07368	5.6
96.08147	10.6
106.06567	4.7
106.25121	2.0
107.07339	5.0
108.04497	4.3
108.08121	40.9
109.02865	2.1
110.09688	19.8
111.04383	2.0
118.06531	3.7
120.08109	19.6
121.08929	2.4
122.06025	15.9
122.09695	11.1
124.07638	4.2
134.06009	5.9
136.07585	44.4
137.07945	3.4
138.09138	27.5
145.08836	2.5
146.06064	4.5
148.07571	18.8
150.09146	14.9
152.07097	9.8
160.03970	2.7
160.07614	4.4
162.05415	2.2
162.09164	2.2
164.07083	4.3
166.08655	30.9
168.10175	2.5
172.03969	6.2
174.05536	3.8
174.09155	3.4
177.12762	5.3
184.81366	1.9
190.05045	6.9
197.10768	2.9
198.11621	2.4
199.08702	4.1
204.06589	8.2
204.29605	2.1
209.10840	4.1
210.11577	3.6
211.12209	12.6
212.09390	3.8
213.10201	6.7
223.08723	7.2
223.12224	10.5
224.13057	2.0
225.10222	23.9
225.13870	5.9
226.10942	9.6
227.11766	15.1
235.08682	5.8
235.12346	2.8
236.09430	6.5
237.10231	22.0
237.13956	5.4
238.10960	15.7
239.08246	3.8
239.11774	41.6
240.12506	9.1
241.13309	4.2
249.10266	9.6
250.10901	12.2
251.08145	8.5
251.11810	47.9
252.08919	1.9
252.12546	13.1
253.09671	14.2
253.13338	20.3
254.10403	3.4
254.14169	3.5
255.11298	4.9
262.10971	2.6
263.11752	16.1
264.08945	5.6
264.12518	6.5
265.09784	24.4
265.13400	25.9
266.10513	16.2
266.14035	10.6
267.11282	31.4
267.14514	3.9
268.12000	3.9
269.12595	4.4
271.10843	3.3
271.14359	3.2
273.12439	3.1
275.11615	4.1
277.09741	7.2
277.13324	5.1
278.10410	8.0
278.13571	2.1
279.11307	49.8
280.12003	10.9
281.12827	20.8
282.13498	3.1
283.10794	9.9
283.13974	3.0
284.11627	4.4
285.12329	35.6
286.13000	3.7
291.11270	13.1
292.12018	5.4
293.12808	20.9
294.13492	4.6
295.10950	4.6
295.14471	5.1
296.11581	2.2
297.12320	23.2
298.13062	6.6
299.13898	14.9
302.16397	2.3
307.10880	4.7
309.12296	10.7
310.13083	4.6
311.13913	24.9
312.14597	3.8
313.15503	6.0
316.14587	3.8
317.15295	2.1
319.10632	5.9
321.12216	10.8
322.13004	3.0
323.10236	5.8
323.13837	3.4
325.11783	8.9
325.15411	3.6
327.13507	10.1
327.27646	2.0
328.14169	4.1
329.15005	3.3
330.16068	5.5
333.12292	4.2
333.77634	2.4
337.11902	6.6
338.12549	2.8
339.13422	10.4
341.15063	3.0
342.15897	3.4
343.16803	2.8
344.13776	3.0
344.17456	2.1
353.15109	4.4
355.12814	3.0
356.13815	2.7
356.17694	2.3
357.14526	6.2
358.15433	7.8
359.16425	3.7
369.14517	5.1
370.15781	4.1
371.16162	2.7
372.17029	4.5
381.14423	3.0
383.15915	2.8
384.17407	3.0
385.17911	2.8
386.18814	5.6
390.17883	2.9
393.14487	4.8
397.17752	2.2
399.15259	2.9
400.16385	5.3
402.18076	4.6
404.19595	2.5
407.16104	2.6
411.15286	9.8
412.16306	5.2
413.17032	2.5
418.17206	2.3
419.15857	2.8
423.15207	2.7
424.16388	2.3
425.16891	5.7
427.18964	9.5
429.16669	7.1
430.17392	6.3
431.18271	3.3
432.18994	4.4
437.17062	4.0
439.14722	3.8
441.16568	8.0
442.17438	3.4
443.17899	4.2
444.18820	2.5
446.20724	4.7
450.20230	2.8
453.16632	5.4
455.18314	4.5
459.17389	2.9
460.18948	2.7
460.56143	2.3
467.14154	2.4
469.15839	3.5
471.17612	10.4
472.18375	3.7
474.19556	2.3
481.16055	6.9
483.17725	3.2
490.19846	3.3
548.24402	2.2
556.21515	3.1
558.22266	3.3
574.24133	3.5
576.23706	3.2
578.24713	3.3
588.23297	3.3
590.24829	7.3
592.24805	7.5
593.23511	28.3
594.24310	25.0
595.25043	3.5
604.22235	3.7
606.24506	17.8
607.25140	3.7
608.25806	8.8
609.37012	2.6
616.22296	2.4
618.24762	13.6
619.24664	2.8
620.22571	16.8
621.23010	11.3
622.24219	10.5
634.14771	2.8
634.24060	32.4
635.24664	66.4
636.25519	100.0
637.25854	10.3
649.26251	3.8
653.25806	16.6
666.26440	17.3
667.27344	84.3
668.28149	28.9
669.28442	3.2
675.26337	2.4
721.28247	6.2
729.31464	3.9
739.30035	11.7
757.30609	50.9
758.30554	8.2
789.32819	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	789.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13487	2.9
65.03949	3.9
66.39030	3.2
67.05505	11.1
69.29203	7.1
69.29611	13.9
70.06599	4.4
79.05508	6.2
80.05013	8.5
81.03420	12.4
81.03871	3.3
81.99491	2.9
85.02884	3.9
91.05494	8.2
93.05798	10.9
93.07045	12.7
94.06578	27.3
94.24541	3.7
95.04980	4.7
95.07356	12.2
96.08131	25.7
97.02899	5.0
98.23363	6.7
103.05500	6.1
106.06579	6.3
107.07351	5.5
108.04473	10.1
108.08130	67.6
109.02906	6.3
110.09689	44.5
118.06603	3.6
119.05014	3.9
120.08120	44.7
122.06036	35.9
122.09655	15.7
127.03922	5.0
134.06012	11.3
136.07584	46.4
136.35954	3.5
138.09143	65.0
146.09714	5.6
148.07590	31.4
150.09146	14.9
152.07114	5.4
160.03944	16.9
160.07596	5.9
162.05501	4.8
164.07068	6.8
166.08662	48.0
172.03958	4.6
173.08203	3.2
174.05499	6.6
178.08804	4.8
188.10721	3.4
190.04968	6.0
194.08194	4.5
199.08704	6.3
202.04868	4.1
208.09702	4.2
209.10721	4.7
210.11597	5.1
211.08620	8.6
211.12341	8.1
212.09198	3.4
213.06592	4.7
213.10297	10.2
216.10170	4.2
221.37457	3.4
223.08646	18.7
223.12306	11.4
224.09357	7.4
224.13081	4.4
225.10231	43.7
225.13837	6.4
226.10995	19.6
227.08270	5.1
227.11803	20.9
232.09767	4.0
235.08662	9.0
235.12285	4.7
236.09468	11.2
237.10205	38.0
237.13939	6.9
238.11031	24.4
239.08255	22.5
239.11819	72.4
240.12509	12.8
241.13347	14.3
244.09723	7.6
246.11298	7.8
248.09357	7.1
249.10236	22.7
250.10899	21.3
251.08134	7.8
251.11794	82.9
252.12564	21.0
253.09775	25.0
253.13354	47.5
254.10556	13.6
254.13966	7.9
255.11264	6.5
262.11011	3.7
263.11823	40.7
264.09052	9.5
264.12521	14.5
265.09787	23.2
265.13354	76.2
266.10474	18.2
266.14053	10.4
267.11249	40.1
267.14124	4.9
267.15039	4.5
268.12115	6.0
269.12714	6.3
271.10840	4.5
275.11707	5.6
276.12411	5.7
277.09717	10.8
277.13120	8.4
278.10547	8.5
279.11356	55.6
280.11932	9.2
281.09683	5.1
281.12842	76.2
282.13351	3.8
283.10828	17.7
283.14215	7.0
285.12384	25.8
286.13123	5.0
291.11252	16.5
292.12051	6.8
293.12820	50.9
294.13510	9.0
295.10971	7.4
295.14362	16.6
296.11560	7.0
297.12421	29.6
298.13132	10.1
299.13840	27.5
300.14642	4.0
305.12827	4.1
307.10760	8.9
307.14236	6.6
309.12332	54.6
310.12836	8.6
311.13889	44.3
312.14606	7.1
313.15512	9.7
319.10809	10.4
321.12332	18.6
323.13919	9.5
324.14642	5.0
325.11780	8.4
325.15494	4.9
327.13358	34.4
330.15771	5.1
337.11737	11.1
338.12659	9.6
339.13339	15.5
341.14963	49.4
349.11847	4.5
351.13284	11.1
353.15121	30.0
357.14615	7.6
358.15582	6.2
359.16162	7.2
369.14417	41.8
370.15143	8.5
371.16171	17.0
372.17264	5.0
381.14514	11.4
383.16034	10.6
386.18500	10.3
400.16516	4.1
401.17105	8.5
407.16000	10.2
411.15564	14.9
412.16263	8.5
413.17285	25.1
414.17908	6.5
416.19620	5.7
418.17609	5.1
425.17230	9.6
429.16650	18.0
430.17200	5.5
432.19324	6.5
435.15506	16.3
437.17178	9.2
441.16663	13.3
442.17224	6.8
443.18073	16.4
444.19156	5.4
446.20889	5.9
446.43066	4.0
453.16501	44.1
455.18127	11.8
460.18753	11.1
465.16492	14.5
467.18066	6.5
471.17636	41.8
473.18903	10.6
474.20258	18.1
482.16479	4.2
483.17627	14.4
485.18979	4.3
492.21347	9.5
495.17715	4.6
497.18768	10.4
502.19235	5.9
503.19846	10.1
513.18677	13.3
514.19153	4.8
515.20135	33.4
516.21027	7.3
522.22424	20.1
534.22321	24.4
556.20636	20.5
562.21387	16.4
568.20587	15.6
572.23999	4.5
574.21490	9.6
576.22900	4.6
576.39081	4.9
586.21643	15.2
588.23450	48.2
589.22955	5.4
590.24646	6.6
592.22742	16.8
594.24512	57.8
595.25079	8.6
600.23364	65.8
601.23706	7.4
603.25818	7.9
604.22803	26.0
606.24475	40.8
607.25073	5.8
618.24481	39.0
619.24438	5.7
621.26904	5.1
624.25568	63.7
625.25513	5.5
631.24969	6.6
632.25677	6.1
636.25464	100.0
637.25525	12.6
650.27185	4.6
667.27032	20.2
668.28442	21.0
669.29547	5.0
675.28296	5.1
693.28851	12.7
707.30603	13.9
721.28430	11.3
725.31787	49.7
726.31543	7.8
739.29700	10.2
743.32849	21.0
753.30597	11.5
757.31219	16.3
761.33826	8.2
771.31940	11.7
789.33069	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	789.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01368	1.1
67.05508	2.9
69.03415	2.1
69.27519	5.3
70.06580	2.6
77.41688	1.0
79.05485	2.3
80.05013	1.5
80.32707	1.1
81.03403	3.0
85.02876	2.0
86.09704	2.0
90.01228	1.0
91.05517	2.3
93.07042	4.3
94.06568	6.8
95.04940	1.1
95.07362	2.1
96.08134	4.5
98.23354	2.1
103.05457	1.3
106.06561	2.2
107.07353	2.5
108.04472	1.9
108.08116	16.5
109.02874	2.4
110.09676	9.0
120.04454	1.0
120.08109	11.1
122.06062	5.6
122.09692	5.0
124.07626	1.2
127.03905	1.5
136.07582	15.9
138.09146	12.2
146.06023	3.0
148.07579	8.0
150.09102	6.9
152.07098	2.7
160.03928	1.6
164.07082	1.3
166.08636	13.8
168.21942	1.1
177.12770	3.1
186.09302	1.1
187.12512	1.2
211.08711	1.6
211.12360	3.6
212.12962	1.1
213.10283	3.8
220.09975	1.2
222.11125	1.0
223.08688	4.1
223.12244	2.5
224.13113	1.1
225.10228	16.9
225.13782	1.4
226.10971	5.1
227.11777	7.1
235.08655	1.8
236.09366	1.5
237.10214	10.5
237.13852	2.2
238.10963	8.7
239.08241	1.3
239.11771	17.3
240.12482	4.5
241.13429	1.8
249.10254	3.0
250.11041	3.2
251.08191	4.2
251.11794	18.3
252.12596	3.2
253.09721	7.4
253.13298	10.0
255.11276	1.5
262.10922	1.3
263.11819	5.4
264.09055	2.4
264.12689	1.7
265.09769	13.9
265.13327	9.3
266.10489	3.8
266.14075	3.3
267.11295	6.8
267.14990	1.6
269.09430	1.5
269.12781	2.4
271.10767	3.3
277.09741	3.0
277.13348	1.6
278.10510	3.5
279.11285	11.8
280.11902	2.5
281.12848	8.4
283.10751	5.1
283.14255	1.6
284.11636	1.9
285.12347	22.9
286.13092	1.7
287.13901	1.4
291.11328	4.3
293.12863	9.0
294.13596	1.9
295.14264	2.3
297.12317	9.9
298.13126	6.8
299.13870	8.6
304.22141	1.1
307.10745	2.3
309.12411	4.9
310.12903	1.4
311.13873	8.2
312.14352	1.3
313.15463	2.8
319.10669	1.4
321.12354	3.3
322.12909	1.3
325.11880	2.2
327.13446	4.6
328.14413	1.8
337.11511	1.5
339.13434	3.8
341.15039	2.4
342.12363	2.2
342.16061	1.5
344.13855	1.6
344.17542	1.6
353.15186	1.5
358.15460	2.5
359.16040	3.0
360.16959	2.0
370.15417	1.4
371.16098	2.2
390.17902	2.0
395.15952	1.4
398.15079	1.3
402.18243	1.8
411.15417	1.8
413.16800	1.8
414.18042	2.2
418.17612	1.9
425.16937	2.3
427.18579	4.5
429.16556	2.4
430.17578	2.2
441.16553	1.5
443.17908	2.6
444.19073	1.4
446.20526	2.2
450.20157	3.6
451.20905	1.6
453.16635	2.2
455.17899	3.4
462.19678	1.7
469.16080	1.6
471.17554	4.3
483.17154	1.4
516.22095	1.3
574.26056	1.3
578.25513	1.7
590.24670	1.9
592.25751	3.0
594.24219	1.3
606.24115	2.2
608.25897	5.8
609.37085	1.5
618.24304	2.2
634.23541	3.3
635.24817	14.1
636.25525	44.3
637.25397	5.1
649.26563	1.1
650.25452	1.5
653.25427	4.5
666.26318	2.3
667.27344	100.0
668.27942	40.5
669.28082	4.0
739.29150	1.6
757.30890	10.4
789.32886	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	789.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05514	2.6
57.03436	2.3
57.07101	0.3
59.04993	0.5
61.02931	4.4
65.03950	0.7
67.05505	8.1
68.05855	0.4
69.02789	1.1
69.03446	3.3
69.07065	3.4
71.01367	0.5
71.04997	2.5
73.02921	3.4
73.12330	0.3
79.05493	9.6
80.05840	0.5
81.03419	3.1
81.07056	10.5
83.04979	1.7
83.08624	1.8
85.02905	4.1
85.06548	0.6
86.09714	0.5
87.04467	0.7
91.03958	2.3
91.05482	7.2
92.05836	0.4
93.07046	8.0
94.07402	0.4
95.04990	2.3
95.08600	5.0
95.09162	0.4
97.02887	4.2
97.06538	0.9
97.10180	0.7
99.04465	1.0
99.08121	0.6
101.02374	1.7
103.03999	0.4
105.04509	0.5
105.07027	5.4
105.07671	0.5
106.07357	0.4
107.04959	1.2
107.08595	3.1
108.08909	0.4
109.02888	1.0
109.06519	1.9
109.10131	1.8
111.04448	0.6
111.08080	0.7
115.03933	0.5
115.05432	0.3
117.06985	1.4
119.08595	4.0
121.06547	0.8
121.10168	2.8
123.08083	1.1
123.11729	0.7
125.09647	0.7
127.03954	1.0
128.06213	0.4
129.05539	0.3
129.07008	1.7
131.08572	2.6
133.06494	0.4
133.10107	2.3
135.11687	1.4
137.09605	0.5
139.11261	0.5
143.08577	1.0
145.05020	0.3
145.10132	2.0
147.08073	0.4
147.11714	2.8
149.09625	0.6
149.13287	0.5
151.11148	0.4
155.08629	0.5
157.10155	0.5
159.11723	0.9
161.09677	0.6
161.13284	0.7
163.10008	0.3
163.11261	1.2
165.12733	0.3
169.10063	0.4
171.11676	1.8
173.04514	0.3
173.11774	0.5
173.13275	0.5
175.11179	0.3
183.11717	0.3
184.07339	1.4
185.04214	0.5
185.13333	0.3
187.14862	0.4
189.12785	0.4
191.10541	0.5
191.14548	0.3
203.05296	0.7
207.13878	0.4
209.11853	0.8
227.12782	0.5
241.14403	0.4
243.08441	3.3
247.13240	1.1
257.19156	0.3
259.20453	0.3
260.95346	0.3
267.16034	0.4
268.16351	0.3
275.20172	0.8
281.17801	0.4
283.15549	0.7
301.16541	0.7
303.15775	0.4
317.20966	0.4
335.25778	2.0
336.26007	0.5
347.21881	3.2
348.22256	0.4
349.24005	0.4
403.24524	0.4
423.19907	0.6
465.20999	10.3
466.21454	0.6
481.20413	3.8
482.21127	0.4
537.23035	0.4
543.29498	0.4
543.36853	1.3
561.37891	0.9
565.29907	6.0
566.30231	0.6
575.39990	0.5
609.44702	0.4
626.45245	0.7
627.46014	0.7
647.34454	0.4
705.34332	2.3
789.43890	100.0
790.44196	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	789.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.6
55.05512	24.8
57.03445	23.3
57.07071	6.3
60.08169	6.7
67.05505	66.8
69.07072	24.6
79.05492	54.0
81.07055	65.8
83.08617	16.1
85.06493	6.5
86.09701	31.7
91.05485	63.5
93.07045	48.1
95.04980	9.4
95.08611	51.3
97.06558	13.9
97.10219	7.7
105.07015	48.7
107.04970	13.2
107.08601	24.3
109.06557	11.0
109.10168	19.8
111.08129	6.6
115.30450	6.0
117.07045	17.0
119.08598	36.3
121.10125	15.2
125.00018	20.6
131.08594	24.9
133.10143	35.8
135.08063	6.3
135.11674	6.2
137.06015	5.9
145.10136	16.5
147.11705	10.9
159.11754	11.3
184.07349	69.5
219.17415	69.0
229.28728	6.9
231.17192	5.7
275.20108	53.1
275.26947	6.3
293.20911	9.3
335.25812	72.2
336.26257	7.8
349.23807	18.4
609.45050	100.0
610.45898	11.5
764.18335	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.7
55.05511	42.1
57.03446	21.2
57.58191	3.4
58.37808	3.4
63.62314	3.0
67.05506	64.1
69.03431	17.0
69.07092	18.3
71.04985	11.0
79.05494	60.8
81.03419	72.1
81.03863	5.5
81.07056	100.0
83.04996	24.2
83.08617	37.5
85.02914	23.8
91.05487	62.3
93.07050	50.1
95.04972	45.6
95.08590	25.7
97.02900	6.2
97.06549	12.7
97.10174	30.8
105.07027	48.9
107.04965	19.9
107.08605	27.7
109.06512	16.9
109.10165	14.4
110.09654	4.1
111.04462	10.9
111.08080	20.4
117.07013	16.7
119.08576	34.4
120.27351	3.4
121.06540	11.2
121.10110	20.0
123.08097	24.0
123.11737	4.5
125.09649	25.0
128.81525	3.3
129.06993	16.6
131.08594	29.4
133.06505	5.6
133.10144	18.6
134.63251	3.7
135.08066	11.3
135.11699	10.4
137.09631	5.3
143.08578	10.7
145.10098	17.2
147.08046	12.4
147.11673	25.0
149.09608	11.4
149.13266	4.8
151.11214	3.8
153.09100	6.2
153.12752	4.7
157.10106	24.1
159.08089	4.1
159.11771	3.8
161.09650	10.8
163.11252	22.2
165.09082	4.7
165.12831	5.9
168.10117	4.2
171.11728	4.6
173.09602	7.1
173.13286	3.6
175.11092	17.2
181.12207	4.5
184.07385	9.4
185.09601	3.4
185.13364	3.4
189.11203	24.2
191.10735	6.4
193.12227	44.8
211.13292	64.8
211.15117	3.9
223.13368	7.9
227.12799	30.1
267.15909	33.9
273.18478	42.8
283.15448	5.3
285.16956	79.8
291.19543	76.7
292.20047	3.9
309.20740	10.4
347.22183	15.4
365.23181	36.9
383.24069	16.9
455.27585	5.6
539.33356	8.3
557.34827	40.6
575.27649	5.3
575.35925	53.2
576.36566	7.4
593.36810	28.1
790.41779	16.1
791.38715	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	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
55.05512	35.7
57.03444	18.6
57.07060	4.1
59.05003	31.3
67.05505	100.0
68.05855	4.5
69.03458	4.1
69.07056	20.1
71.05002	11.9
71.08661	4.4
71.31237	5.5
78.41801	3.7
79.05505	42.5
81.03440	10.2
81.07059	56.8
83.08637	14.0
85.02918	7.3
86.09733	9.0
87.04463	48.5
87.04881	4.3
89.06046	6.6
91.05475	22.7
93.07050	40.6
93.70432	3.8
95.04980	8.5
95.08613	36.4
97.06526	3.4
97.10191	16.2
99.04478	14.5
105.07021	18.4
107.08604	24.4
109.10148	45.6
117.07045	7.5
119.08613	16.1
121.10118	22.1
123.11655	3.9
125.00040	10.2
125.09679	13.6
131.08553	8.5
133.08618	5.1
133.10165	9.9
135.11726	7.6
145.10172	6.6
147.11752	3.9
159.11694	5.0
163.11220	6.3
173.11812	13.5
173.13275	8.7
183.18782	3.8
184.07346	41.0
198.75288	3.3
199.13315	12.0
227.12840	5.1
229.14340	29.2
241.14444	4.4
243.21138	3.9
261.22180	9.0
267.15952	6.4
315.17960	6.9
316.17972	5.0
335.25806	52.3
358.98709	4.9
477.35873	14.3
489.35760	33.6
490.36032	6.1
543.36603	4.6
791.44751	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	790.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
55.05510	14.0
57.03446	10.7
59.05009	5.0
61.02925	2.0
67.05511	50.9
69.07065	17.6
69.47411	11.8
71.04998	19.3
79.05496	28.8
81.03431	5.3
81.07062	100.0
83.05003	7.2
83.08628	12.2
85.02926	2.0
85.06553	5.9
91.05491	31.0
93.07049	30.1
95.04975	7.5
95.08606	22.5
97.06529	8.4
97.10213	2.1
99.08105	4.3
105.07026	28.4
107.04980	5.5
107.08607	21.1
109.06516	17.8
109.10183	11.5
111.08154	4.5
117.07032	5.9
119.08593	17.6
121.06549	5.7
121.10126	12.5
123.08062	5.8
123.11711	12.3
129.07007	4.0
131.08606	11.6
133.10136	26.5
135.08040	3.0
135.11702	6.8
145.10153	6.8
147.11722	14.3
149.09656	3.8
149.13290	8.8
151.11182	6.2
157.10034	2.2
159.11713	9.3
161.13295	3.2
163.11229	4.8
165.12776	3.1
173.13318	4.9
175.11269	3.3
177.12729	3.5
183.11581	2.3
184.07394	5.7
187.13353	4.0
195.13882	4.6
243.15898	12.8
252.05142	2.3
267.15851	4.0
269.17474	11.8
275.20102	35.9
276.20413	3.1
293.21164	5.3
301.19998	22.8
349.23724	23.4
367.24863	8.1
414.70468	2.2
517.35309	49.4
518.35797	6.8
525.36047	4.9
528.63788	2.4
531.37030	5.9
535.36841	11.4
543.36829	51.0
544.37158	6.0
561.37903	36.5
575.39441	20.2
593.40674	12.4
594.41064	2.3
791.39490	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	790.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.0
55.05510	24.5
57.03453	8.3
64.03883	7.3
67.05514	65.7
68.43790	6.9
69.03411	6.8
69.07079	19.9
69.46250	6.6
71.04996	23.5
71.30270	8.1
79.05523	39.6
81.03417	27.6
81.07056	100.0
83.04986	9.5
83.08622	32.4
86.09751	5.9
91.05480	46.4
91.68304	5.9
93.07041	44.5
95.04946	33.2
95.08619	32.0
97.06567	10.1
97.10179	12.8
105.07050	44.2
107.05009	11.4
107.08607	28.9
109.06512	7.5
109.10175	8.3
111.04488	7.0
111.08138	8.4
117.07034	10.5
119.08606	31.2
121.10155	20.5
123.11703	14.1
125.09656	9.8
129.07036	8.4
131.08563	18.4
133.10130	37.9
135.08124	7.2
135.11681	16.0
145.10165	21.5
147.11723	12.8
149.09660	15.0
149.13194	8.6
157.10162	9.4
159.11707	19.6
163.11197	16.7
165.12909	6.8
184.07390	28.1
223.13362	9.1
227.93381	6.4
259.20547	6.5
269.17456	8.1
275.20093	29.2
276.88852	6.1
293.21286	13.3
299.23206	6.7
301.20084	22.7
437.36728	7.2
517.35352	27.3
525.35571	16.2
535.36359	34.3
543.36841	52.7
549.37909	8.9
561.38153	34.8
575.38892	8.6
586.03998	8.1
593.40222	21.8
790.38666	8.3
791.40607	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.1
55.05518	38.1
57.03450	15.3
57.07072	2.9
59.05006	4.0
61.02932	5.1
62.56662	2.2
65.03937	4.0
67.05511	72.2
69.03426	5.1
69.07071	26.3
71.04995	24.9
73.02932	3.6
79.05498	65.4
81.03427	36.7
81.07063	100.0
81.43448	2.2
83.04976	11.2
83.08622	29.1
85.02922	5.7
85.06547	8.0
91.05486	64.1
93.07054	58.8
95.04974	30.5
95.08611	33.7
97.02888	3.3
97.06543	11.3
97.10193	13.4
97.10746	2.8
98.22557	4.6
99.04497	3.3
99.08109	2.9
103.65037	1.9
105.07036	51.0
107.04967	12.1
107.08601	37.8
109.06541	10.8
109.10157	22.4
111.04480	4.7
111.08093	9.1
115.05501	1.9
117.07015	20.5
118.07384	2.2
119.08588	44.5
121.06530	7.6
121.10141	25.7
123.08089	9.4
123.11696	9.9
125.09650	9.2
128.06244	3.1
129.07033	12.6
131.08594	28.4
133.10144	32.2
135.08069	5.0
135.11717	13.4
137.09637	5.2
141.06978	2.7
143.08620	12.6
145.10132	23.6
147.08125	3.9
147.11678	18.6
149.09628	12.5
149.13286	7.6
151.11227	6.6
154.07808	2.3
155.08594	6.7
157.10115	16.4
159.11714	19.0
161.13268	6.9
163.11194	10.8
165.12825	3.2
169.10121	5.0
171.11693	6.8
173.13297	8.8
175.11192	6.6
177.12831	3.6
181.10190	4.9
183.11749	4.6
184.07378	6.6
185.13258	6.7
187.14857	3.3
189.11255	4.8
193.12242	6.0
195.11819	2.4
195.13809	2.6
199.14926	3.7
201.16585	2.2
209.13377	2.9
217.16196	2.5
223.13171	5.2
225.14845	3.1
227.12831	7.5
229.14302	3.3
236.20184	2.0
241.19496	2.7
243.15910	3.3
257.19064	5.9
259.20633	10.7
267.15903	17.0
269.17535	7.7
275.20102	29.3
276.20538	3.7
285.16989	2.3
293.21210	8.7
294.30176	2.0
299.23730	3.6
301.19891	16.5
333.24207	7.6
349.23804	11.4
361.23834	2.4
367.24753	7.5
381.26349	2.6
389.28403	2.0
421.26132	2.5
433.31006	11.2
435.27237	3.2
437.28714	3.5
449.29211	4.1
451.31958	7.4
463.30240	3.2
469.33267	4.1
470.34985	2.0
495.32990	3.3
503.33942	2.4
517.35132	27.1
525.35846	29.8
526.35962	5.2
535.36450	19.6
543.28644	4.3
543.36829	82.3
544.36938	8.4
549.37933	8.1
557.38556	4.9
561.37738	20.1
575.39569	15.7
576.39032	2.8
593.40411	13.2
790.38501	11.1
791.41620	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	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.3
55.05513	40.0
57.03449	18.8
57.07077	13.0
58.74356	3.2
59.05006	33.9
59.12725	3.2
60.08153	5.2
61.02924	4.4
65.03960	3.2
67.05508	100.0
69.03431	7.8
69.07067	15.7
71.05004	15.3
71.07401	5.1
71.08626	11.3
79.05501	53.7
81.03409	13.3
81.07059	59.5
83.04976	4.3
83.08636	16.6
85.02920	7.6
85.06567	5.2
85.10220	7.3
86.09689	20.2
87.04470	61.2
89.06036	26.8
91.04017	4.1
91.05483	32.9
93.07050	40.6
93.39257	3.1
95.04969	8.5
95.08611	36.6
97.02883	7.5
97.06539	6.0
97.10175	19.8
98.98443	3.4
99.04459	20.2
105.07021	11.9
107.08601	25.8
109.10161	63.0
109.10908	4.0
111.08109	7.4
117.07000	9.1
119.08584	14.6
121.10155	24.1
123.08073	5.1
123.11680	5.7
125.00006	17.6
125.09646	13.8
131.08569	13.9
133.07733	3.6
133.08595	16.2
133.10120	8.3
135.11699	14.1
145.10115	7.2
147.11702	7.1
149.09581	3.6
159.11684	6.3
161.13240	4.6
163.11218	7.5
163.14830	4.0
173.11754	13.5
173.13113	3.5
173.90523	3.1
175.14807	5.1
177.11256	6.7
184.07350	77.2
187.15062	3.2
193.12263	3.8
195.13913	3.0
199.13312	9.6
227.12729	3.9
229.14348	32.6
241.14452	5.4
261.22287	11.0
267.15942	12.3
278.62256	3.2
315.18042	9.1
333.19006	3.6
335.25848	62.6
336.25977	7.6
363.25549	3.9
477.35709	15.1
489.35791	44.9
490.36197	4.6
725.53943	3.3
791.45081	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	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.1
57.07067	0.2
57.84560	0.2
58.06624	0.7
60.08168	7.4
67.05511	0.5
71.07378	4.3
77.44972	0.2
79.05494	0.3
81.07066	0.4
86.09710	32.0
87.10042	0.6
91.05486	0.2
93.06982	0.2
98.98470	4.1
104.10748	3.3
105.07054	0.2
107.08600	0.4
107.47785	0.2
125.00009	23.3
126.00402	0.2
143.01071	0.4
166.02654	0.2
184.07350	100.0
185.07677	1.8
249.22894	0.2
311.54178	0.2
531.73425	0.2
534.31641	0.2
627.12054	0.2
650.43787	0.2
690.47076	1.3
772.54248	0.5
790.56061	2.4
791.56024	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	791.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05519	2.6
56.96585	0.8
57.03434	1.2
60.39997	0.5
61.02920	0.8
61.49536	0.5
65.03950	0.7
67.05502	6.3
68.05836	0.8
69.03436	1.0
69.07078	2.0
69.53130	2.4
71.05000	1.0
71.08656	0.5
74.74115	0.5
79.05487	4.6
81.03412	2.6
81.07054	8.9
82.07370	0.8
83.05004	1.2
83.08656	2.3
85.02917	0.8
86.09718	0.6
87.89843	0.5
91.05475	5.2
92.05827	0.5
93.07040	5.4
94.07442	0.6
95.04974	1.7
95.08603	3.2
96.08943	0.5
97.02884	0.9
97.06559	1.0
105.07028	4.1
107.04955	1.4
107.08591	2.6
109.06497	0.9
109.10148	2.3
111.08075	1.0
113.06034	0.5
117.07042	1.6
119.07880	0.4
119.08563	2.5
121.06522	0.7
121.10120	2.3
123.08095	0.7
123.11685	0.5
129.06996	0.7
131.08597	2.0
132.08911	0.5
133.10172	1.4
134.05869	0.5
135.11713	1.6
143.08577	1.0
145.10143	2.3
147.08051	0.5
147.11740	1.0
148.12054	0.6
149.09665	0.9
149.13287	0.9
151.07661	0.5
151.11188	0.5
157.10210	1.1
159.11752	1.4
163.11194	1.5
164.78117	0.5
169.10037	0.7
171.11745	0.6
177.00775	0.5
177.12708	0.5
184.07396	1.5
243.08272	0.5
267.16003	1.9
268.16428	1.3
269.17566	2.4
273.18857	0.6
275.20163	1.5
276.20374	0.5
277.21771	0.8
281.10730	0.7
291.19556	0.8
299.11734	0.6
301.20239	0.8
331.15887	0.7
349.17105	1.2
349.23904	1.1
350.24216	0.7
351.25391	0.7
383.19366	0.7
451.95700	0.5
467.19012	0.7
499.18527	1.3
503.54456	0.5
517.35248	1.0
518.35876	1.8
535.36066	0.6
536.36902	0.7
543.36523	1.1
544.37201	3.9
548.69214	0.5
561.37408	0.5
562.38135	1.2
567.25427	1.6
576.39935	0.6
577.33289	1.3
594.40552	0.8
595.34045	1.4
663.33594	1.0
675.51038	0.5
791.39832	100.0
792.40210	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	791.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
55.05268	0.9
55.05516	6.5
57.03445	4.2
57.87348	0.4
59.05004	0.6
61.02930	5.2
65.03968	0.8
67.05510	14.3
68.05848	1.7
69.03435	4.0
69.07076	5.5
70.54844	0.9
71.01364	1.0
71.05000	2.0
73.02914	3.8
79.05503	12.1
80.05844	1.1
81.03433	6.5
81.07063	16.6
81.07526	0.8
82.07410	1.7
83.04989	3.4
83.08621	3.6
85.02918	5.8
85.06552	1.1
86.09690	0.6
90.66790	0.5
91.03976	2.4
91.05488	11.2
91.06013	0.9
92.05825	1.2
93.07047	10.3
94.07406	1.8
95.04987	5.2
95.08621	6.3
97.02912	4.7
97.06548	3.1
97.10175	2.5
98.03193	0.5
99.04490	1.5
101.02404	2.1
105.07038	7.9
107.04984	2.6
107.08604	6.0
108.08979	1.1
109.02923	0.7
109.06567	2.7
109.10149	4.1
110.10501	0.6
111.04472	2.1
111.08118	1.5
117.07039	2.6
119.08578	5.7
121.06539	1.9
121.10154	3.9
122.10498	0.8
123.08085	2.4
123.11761	1.1
124.08378	0.5
125.00053	0.6
125.06018	0.7
125.09682	2.2
126.10033	0.6
127.03964	1.3
129.05513	0.6
129.07028	2.0
131.08585	2.6
133.06473	0.7
133.10141	4.4
134.10510	1.1
135.08127	1.1
135.11688	2.8
136.12073	0.8
137.09705	0.8
143.08577	1.2
145.10117	3.7
146.10477	0.8
147.08090	1.5
147.11667	3.5
149.09669	2.0
149.13321	1.1
151.07581	0.9
151.11238	0.9
155.08614	0.6
157.10193	1.6
158.10481	0.6
159.11765	1.1
161.09642	1.0
161.13216	0.7
163.11221	3.1
171.11769	1.5
172.11844	0.6
173.13237	0.6
175.11229	0.6
176.11514	0.6
181.12294	1.5
184.07437	2.3
185.04253	0.9
189.11241	1.3
193.12350	1.3
195.13971	0.7
203.14388	0.7
209.11832	0.6
211.13248	1.2
221.15425	0.5
243.08495	4.1
247.13069	1.6
253.14345	0.9
253.20850	0.5
267.16141	2.0
268.16357	0.7
269.17484	1.7
270.17993	0.8
273.18640	0.7
275.20218	2.3
276.17670	0.5
276.20541	1.3
283.15506	4.3
284.15686	2.8
285.16922	1.3
291.19601	1.3
293.21503	0.7
301.09097	1.0
349.19879	2.0
349.23898	0.8
350.24274	0.6
366.23648	0.8
368.24738	0.6
373.11304	0.6
405.22794	0.8
423.27734	0.7
424.27875	0.8
451.19858	0.7
453.94904	0.5
465.21082	7.9
466.21561	1.0
497.19901	0.7
558.35229	3.2
559.36365	1.2
560.36432	0.9
567.28003	7.0
576.36548	1.8
577.37592	1.0
791.41864	100.0
792.42078	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	791.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05510	2.1
57.03438	2.6
58.85164	0.4
59.05001	1.5
61.02933	5.2
67.05509	7.0
69.03430	3.8
69.07072	1.8
69.54902	1.3
69.99418	0.3
71.05005	1.3
73.02920	3.9
78.93076	0.3
79.05496	4.3
81.03419	2.9
81.07052	6.0
83.04995	0.6
83.08643	0.8
85.02903	4.7
86.09718	0.9
87.04484	1.4
89.06042	1.2
91.03955	3.2
91.05475	3.7
92.05799	0.4
93.07049	5.2
94.07400	0.4
95.05005	1.1
95.08607	4.3
97.02901	5.2
97.06547	0.4
97.10174	0.7
99.04471	0.9
101.02422	1.9
105.07026	2.7
107.04995	0.3
107.08600	2.1
109.02918	1.1
109.06543	0.6
109.10139	1.9
110.05448	0.3
110.10529	0.3
111.04463	0.3
111.08088	0.5
111.92343	0.3
117.07075	1.0
119.08585	1.5
121.06537	0.8
121.10132	1.8
123.08088	0.6
125.00055	0.6
127.03969	1.4
131.08606	0.9
133.08626	0.6
133.10159	1.0
135.11739	0.9
142.45300	0.3
145.04991	0.4
145.10173	0.7
149.13283	0.5
159.11743	1.0
171.87241	0.4
173.13437	0.3
184.07353	2.1
185.04271	0.4
203.05273	0.4
204.39188	0.3
223.13374	0.5
243.08376	2.1
267.15823	0.4
295.15170	4.9
296.15393	0.3
318.12460	0.3
335.25967	0.6
351.18008	0.9
385.27472	0.3
449.15387	0.4
513.23224	5.7
519.29340	6.9
519.36578	0.6
520.29492	0.5
530.39661	0.4
778.16235	0.4
791.45526	100.0
792.45880	13.8
792.60602	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	792.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.6
55.05515	21.0
57.03443	13.7
57.07076	2.9
57.19469	1.2
65.03954	2.0
67.05508	41.9
69.03435	4.7
69.07069	21.1
69.68216	5.5
71.05003	5.2
75.42406	1.1
75.59895	1.1
79.05500	37.8
81.03421	65.2
81.07059	71.2
82.07394	1.7
83.04993	10.5
83.08626	21.5
85.02921	3.0
85.06538	3.9
86.09723	3.3
91.05483	40.4
93.07042	29.6
93.07613	1.4
95.04971	27.2
95.08608	23.3
96.05339	1.4
97.02874	1.7
97.06532	7.9
97.10152	5.9
98.23446	1.3
99.04470	1.2
99.08060	1.9
105.04519	1.3
105.07033	29.2
105.07755	1.4
107.04963	12.0
107.08583	20.7
109.06522	15.7
109.10153	13.1
111.04456	3.1
111.08064	6.4
115.05519	2.4
117.07050	7.1
119.08583	27.3
120.08858	1.3
121.06528	7.0
121.10141	13.5
123.08052	6.4
123.11726	5.6
125.00069	1.5
125.09624	6.6
129.07007	11.8
131.08571	16.6
133.06516	3.2
133.10132	13.2
135.08081	4.7
135.11737	6.3
137.09628	3.5
141.06972	2.3
142.07800	2.0
143.08549	2.7
145.10138	9.8
147.08078	5.0
147.11678	18.4
149.09622	10.2
149.13287	5.1
151.11259	2.5
155.08551	1.7
157.10135	10.1
159.08073	1.8
159.11673	7.7
160.67189	1.2
161.09641	3.1
161.13292	2.9
163.11153	7.2
165.12772	5.6
169.10109	2.0
171.11719	2.0
173.13326	4.2
175.11191	8.4
177.12779	2.7
181.12091	1.2
183.11720	1.6
184.07330	8.9
185.13269	1.5
187.14934	1.2
189.11218	1.6
193.12241	17.6
205.12283	1.9
211.13330	2.0
227.12831	4.1
231.24202	1.4
239.17882	1.4
247.20662	2.0
255.15887	1.4
257.19003	4.2
267.15921	100.0
268.16248	4.9
269.17517	2.2
273.18369	1.6
275.20081	30.4
276.20389	1.7
284.15869	1.4
285.17038	3.5
291.19308	2.1
293.21158	11.8
299.19907	2.1
349.23727	16.1
350.24197	1.3
351.31989	1.3
367.24792	32.9
368.24976	3.1
431.29221	1.4
447.27591	2.3
449.30377	2.6
461.28830	5.6
467.31812	7.8
473.30508	1.4
474.35373	1.7
479.30148	3.3
485.32483	4.4
519.33258	2.0
523.34265	2.3
541.35284	48.1
541.43536	2.4
542.35382	7.4
545.34735	2.2
559.36328	88.7
560.36719	14.4
577.37219	4.2
595.37122	1.3
667.19464	1.4
793.39874	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	792.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.3
55.05514	29.0
57.03442	23.8
59.04997	2.0
61.02925	2.5
63.36451	1.5
65.03936	5.8
67.05508	71.7
69.03416	7.3
69.06733	2.4
69.07077	34.2
71.01337	1.8
71.05000	8.3
73.02914	1.8
79.05496	65.4
81.03421	72.5
81.07059	95.3
82.07414	3.5
83.04989	24.8
83.08621	39.8
85.02905	31.2
85.06539	5.4
88.11285	3.6
91.05482	70.1
93.07047	63.0
95.04977	37.1
95.08615	33.5
97.02908	5.8
97.06550	14.6
97.10172	10.4
98.22608	5.2
99.04475	2.1
99.08102	3.7
100.08393	1.6
103.05487	3.1
105.07036	47.3
107.04953	12.5
107.08595	38.7
109.06520	11.2
109.10155	12.3
111.04449	4.7
111.08096	14.7
115.05452	4.7
117.07020	12.6
119.08592	41.8
119.51740	1.6
121.06506	11.9
121.10147	27.8
123.08087	4.5
123.11734	8.2
125.09629	7.5
129.07018	16.2
131.08572	29.8
132.08838	1.8
133.06482	3.5
133.10130	30.3
135.08080	6.0
135.11705	9.9
137.09607	6.2
139.07539	1.6
142.07788	2.7
143.08582	4.8
145.10179	12.6
147.08061	5.0
147.11688	29.1
149.09634	19.1
149.13269	14.7
151.11180	2.3
157.10150	17.3
159.08093	1.7
159.11711	12.5
161.09657	1.9
161.13249	2.9
163.11188	7.2
165.12772	6.1
166.15610	1.6
169.28928	1.7
171.11623	1.6
173.13260	3.3
175.11212	14.8
177.12753	3.1
184.07341	2.0
187.11197	2.0
189.11244	2.7
193.12234	47.1
193.14008	2.5
195.13794	4.7
211.13293	53.0
211.14838	2.0
212.13672	4.0
227.12794	5.4
228.85098	2.2
229.14317	2.7
247.20644	3.2
257.19009	6.7
267.15945	37.8
269.17502	33.9
270.17841	2.2
275.20074	46.9
276.20441	2.7
285.16943	65.6
286.17105	4.1
293.21042	7.7
331.22659	3.0
349.23761	29.7
367.24802	14.4
406.81143	1.7
439.27014	4.6
443.28107	2.5
461.29028	39.0
462.29205	4.6
467.31787	2.4
479.30032	100.0
480.30356	10.2
541.35297	21.6
542.35382	4.6
559.36371	57.1
560.36548	7.8
577.37238	23.0
578.37714	4.0
605.33203	2.7
623.34052	3.8
689.31281	4.2
792.38367	43.8
793.38916	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	792.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	33.5
55.05761	6.0
57.03437	9.9
57.07073	10.7
65.03944	8.2
66.44366	6.7
67.05175	10.4
67.05506	76.5
69.07083	31.5
71.08640	6.1
74.62496	6.2
79.05491	52.3
80.03257	6.2
81.03432	8.1
81.07072	100.0
83.08620	26.2
86.09714	22.2
91.05486	30.1
93.07059	60.8
95.04993	9.5
95.08611	44.8
97.06537	6.6
97.10197	12.6
98.22573	10.7
98.98460	7.3
105.07035	24.1
107.08607	24.7
109.06506	6.4
109.10180	27.8
111.11794	7.5
119.08589	23.4
121.10175	19.9
125.00031	12.9
131.08582	15.8
133.10130	13.8
134.83226	6.0
135.11719	9.4
137.13336	6.5
145.10104	13.1
147.11688	15.1
149.13298	6.7
149.31674	6.4
159.11739	6.6
163.11195	8.5
173.13205	8.0
184.07353	74.7
185.07710	15.1
241.90517	6.6
261.22083	6.6
275.20160	16.4
333.24161	7.3
335.25867	68.9
335.43277	6.2
337.27386	12.9
338.32391	6.5
348.59503	6.2
349.23608	12.5
495.43381	5.7
551.53162	5.9
568.50592	6.1
585.45331	50.0
586.46246	7.1
595.46747	9.9
603.46338	75.8
613.48126	8.7
738.76508	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	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	26.7
57.03444	16.1
57.07069	3.1
61.02920	5.7
65.03934	5.3
67.05508	92.9
68.05852	1.8
69.03441	2.0
69.07076	21.2
70.79454	3.2
71.04997	1.5
79.05496	62.5
81.07059	81.2
83.04964	2.4
83.08623	8.5
85.02914	3.3
85.06534	2.5
89.13087	1.9
91.05486	40.3
92.13488	1.6
93.07046	63.1
93.81830	1.4
95.04981	5.1
95.08610	55.0
96.08958	3.0
97.02929	1.8
97.06556	2.9
97.10156	4.0
105.04485	2.3
105.07038	24.4
107.08604	33.8
109.10165	25.7
111.08084	2.9
117.07049	8.0
119.08582	21.7
121.10143	25.9
123.11709	10.0
126.87031	1.5
129.07066	2.9
131.08574	13.9
133.10138	16.4
135.11694	17.5
135.53059	1.8
137.13275	2.0
140.25117	1.5
145.10127	12.3
147.11710	12.2
149.13261	9.6
150.53818	1.7
154.93108	1.8
157.10176	2.5
159.11739	10.9
161.13286	6.8
163.14795	8.5
171.11705	3.2
172.13142	1.5
173.13252	8.2
175.14816	4.3
177.16394	2.2
185.13281	2.0
187.14813	3.2
199.14743	1.8
201.16458	2.9
240.20694	1.9
241.19604	2.8
243.21097	5.5
259.20639	7.3
261.22144	18.5
268.52386	1.5
307.22559	2.0
317.24802	4.7
333.24258	5.0
335.25815	100.0
336.26233	7.3
337.27469	7.9
435.16638	1.5
521.43207	1.9
595.46960	12.1
613.48199	9.9
713.34180	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	793.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16586	1.8
58.42048	1.7
61.02931	4.8
67.05495	4.0
67.15273	1.8
69.07085	2.3
69.68640	4.3
69.69029	4.1
71.04995	2.5
73.02921	2.1
75.20459	1.6
78.08940	1.7
79.05511	3.8
81.03434	2.2
81.07068	5.6
85.02914	2.9
91.03958	3.0
91.05492	1.9
93.07072	3.2
95.08620	2.0
97.02913	3.5
100.00245	1.8
105.07040	3.5
107.08639	2.1
113.06065	2.3
119.08598	2.1
149.09677	3.3
243.08640	2.8
246.26846	1.6
270.93454	1.6
315.19623	1.8
382.15363	1.6
501.23096	8.5
523.81525	2.1
533.27460	7.2
793.43451	100.0
794.43964	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	793.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.5
67.05508	4.2
69.03429	3.1
69.77818	5.1
71.04974	1.3
73.02925	3.1
73.52795	1.2
79.05503	3.9
81.03423	1.5
81.07064	4.8
83.05009	1.6
85.02921	4.1
91.03943	1.8
91.05492	4.6
93.07052	1.2
95.04995	3.3
95.08624	2.0
97.02897	3.5
97.06542	1.2
105.07062	3.4
107.04904	1.2
109.06535	1.6
112.07677	1.4
113.06017	1.5
115.03876	1.3
119.08643	2.3
121.10144	1.9
123.08064	1.4
127.03934	1.9
131.08556	2.7
133.10104	1.7
149.09669	1.7
157.10249	1.2
217.59828	1.1
243.08459	2.6
260.25803	1.3
315.19476	3.2
339.17642	1.5
469.20761	1.7
501.23068	9.3
504.44473	1.3
533.27319	5.4
735.08490	1.3
793.43408	100.0
794.43854	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05849	0.9
57.03440	4.3
60.08168	1.9
61.02929	3.8
61.60790	0.6
67.05508	15.9
68.05854	0.9
69.03432	3.8
69.07075	7.2
69.07429	0.9
70.73176	0.6
71.01361	0.9
71.05007	1.5
71.07377	1.0
73.02912	3.6
79.05497	12.3
80.05859	1.6
81.03423	10.0
81.07059	17.1
81.97791	0.6
82.03783	0.9
82.07421	2.3
82.61228	0.6
83.05003	2.8
83.08630	5.0
85.02912	6.7
85.06560	1.4
86.09710	13.0
87.04410	0.7
88.11837	0.6
91.03984	2.4
91.05482	12.1
91.06001	0.7
92.05821	1.5
93.07047	10.6
94.07396	1.4
95.04974	5.8
95.08613	6.5
97.02901	4.6
97.06570	2.7
97.10185	2.6
98.98454	1.0
99.04492	1.0
101.02403	1.4
104.10765	0.9
105.07039	10.0
107.04976	3.2
107.08583	6.8
108.08971	0.7
109.02905	1.4
109.06550	3.6
109.10158	4.7
111.08144	2.1
117.07027	3.0
119.08578	5.3
120.08994	1.3
121.06522	1.0
121.10108	4.3
123.08116	1.7
124.02234	0.6
125.00026	7.6
125.06079	0.9
125.09678	1.8
127.03987	2.2
128.06206	0.6
129.07063	2.3
131.08569	4.4
133.06497	0.9
133.10138	4.5
134.10524	1.1
135.08099	1.3
135.11734	2.6
137.09679	1.4
143.08545	0.9
145.10149	3.3
146.10460	0.8
147.11681	4.9
149.09683	2.0
149.13321	1.4
151.11244	1.2
157.10185	1.6
158.10503	1.5
159.11783	1.5
161.13326	0.8
163.11276	2.4
165.12895	1.1
171.11775	1.1
173.13321	0.7
175.11270	1.4
184.07352	38.7
185.92667	0.7
190.44473	0.6
193.04671	0.6
193.12318	1.8
194.12779	0.6
195.13905	1.0
207.74054	0.6
229.14613	0.8
243.08430	3.0
257.19202	0.7
267.15939	10.1
267.18417	0.8
268.16269	4.4
269.17679	1.0
270.17834	0.9
275.20160	3.7
276.20541	2.6
285.17209	1.8
286.17432	0.8
291.19385	0.8
293.21219	1.0
319.18753	0.7
349.23846	2.4
350.24319	1.5
351.21613	2.4
367.25009	2.5
368.25305	1.9
465.21118	8.0
467.19211	0.7
541.35596	1.2
542.35803	3.7
559.36499	2.7
560.36633	8.3
561.37622	0.9
569.29456	7.1
578.37909	2.6
682.78296	0.9
744.44611	2.3
775.38647	0.9
793.43097	100.0
794.43268	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	793.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
57.43595	0.8
59.04998	1.3
61.02935	4.8
63.08710	0.9
65.03973	0.9
67.05515	10.6
69.03445	3.3
69.07084	3.2
71.01363	0.9
71.05009	2.2
73.02930	3.7
78.69453	0.8
79.05498	5.6
81.03432	4.8
81.07059	9.8
81.99697	0.9
82.45931	0.8
83.08639	1.8
85.02924	5.5
86.53957	0.9
87.04510	2.3
87.94081	0.9
91.03996	1.8
91.05466	4.4
93.07040	6.1
95.08617	5.9
97.02938	3.6
98.10549	0.8
99.04475	1.9
101.02389	1.3
105.07063	3.4
107.08638	2.5
109.02921	1.4
109.06561	1.7
109.10183	3.1
111.04424	0.9
114.06743	0.8
119.08607	2.3
121.10199	2.6
125.09696	1.7
127.03926	2.0
131.08607	1.3
133.10188	1.5
145.10088	1.1
147.11758	1.7
149.09729	1.5
157.10178	1.1
184.07437	1.2
243.08548	1.4
267.15900	1.2
297.16739	9.3
310.73880	0.9
310.84692	1.0
335.26062	1.9
337.27698	2.0
338.28116	1.2
353.79871	0.9
515.24677	10.1
519.29114	5.2
591.64429	0.9
793.47131	100.0
794.47498	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	794.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.9
57.03439	0.3
58.06610	0.3
60.08171	6.8
61.02923	0.4
67.05504	0.6
69.07086	0.3
69.60455	1.2
70.06577	0.2
71.07371	3.6
71.88576	0.2
73.02896	0.3
79.05487	0.5
81.03436	0.5
81.07052	0.7
85.02904	0.4
86.09708	31.4
87.10013	0.5
91.05508	0.3
93.07022	0.5
98.22671	0.4
98.98470	3.7
104.10751	2.7
105.06972	0.3
116.82518	0.3
117.31192	0.2
125.00005	21.4
126.12176	0.2
129.06963	0.3
130.97748	0.2
135.49429	0.2
143.01021	0.3
149.02328	0.3
184.07344	100.0
185.07761	1.6
207.40901	0.2
606.97137	0.3
615.00916	0.4
644.35400	1.1
726.42969	0.7
744.44342	5.9
745.44159	0.8
766.44385	0.3
794.42773	1.8
795.40961	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	794.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
58.06621	0.4
60.07886	0.5
60.08168	6.0
64.67509	0.3
67.05509	2.0
68.07127	0.3
69.07058	0.8
71.07379	3.6
71.28135	0.4
71.28531	0.3
78.26611	0.3
79.05486	1.0
81.07070	2.1
82.07393	0.3
83.08629	0.4
86.09713	32.1
87.04464	1.0
87.10078	0.4
88.66763	0.3
91.05476	1.3
91.15234	0.3
93.07040	1.9
95.04983	0.4
95.08630	1.8
98.98468	3.7
104.10760	2.4
105.07029	0.5
107.08588	0.8
109.06552	0.3
109.10160	0.6
119.08591	0.7
125.00010	23.5
131.08560	0.4
133.10153	0.5
135.11630	0.4
143.01071	0.5
184.07356	100.0
185.07713	2.1
191.01324	0.3
335.25818	1.1
337.27298	1.0
529.38940	0.4
625.56604	0.3
789.89673	0.4
794.53180	2.3
795.52820	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	794.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	12.9
57.07079	9.0
58.88472	2.9
65.03936	3.9
65.97929	2.9
67.05505	93.7
69.07076	36.3
69.70372	8.2
71.08633	3.7
79.05489	46.2
81.06587	5.5
81.07059	100.0
83.08624	18.7
85.06532	4.9
87.04459	5.4
91.05475	27.6
93.07052	53.3
95.04980	6.6
95.08609	69.6
95.80861	3.3
96.08930	4.9
97.06510	3.9
97.10141	9.4
99.08124	4.0
105.06998	23.3
107.08580	31.8
109.10159	32.7
117.07036	8.8
119.08592	17.5
120.70697	2.9
121.10128	26.9
123.11746	15.0
129.53534	3.1
131.08606	7.8
133.10132	21.1
135.11717	17.5
137.13219	6.1
142.41464	3.3
145.10164	9.2
147.11685	8.0
149.13239	9.8
159.11745	8.6
161.13275	9.7
163.14786	7.4
173.13266	7.5
175.14784	8.5
184.07324	9.0
243.21115	6.0
259.20547	4.3
261.22064	19.4
263.23685	5.9
317.24661	4.1
335.21844	3.8
335.25821	87.1
336.26123	10.1
337.27362	95.3
338.27740	8.1
339.28958	10.2
393.54092	3.8
597.48584	31.9
598.49341	4.7
615.49841	17.3
616.49420	4.7
794.51819	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	795.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	1.1
67.05529	2.2
69.03451	1.9
69.45473	2.8
69.45884	5.7
73.02885	1.4
81.07069	1.9
85.02889	1.7
91.05499	1.7
93.07060	1.5
95.17274	1.1
97.02908	1.7
97.45895	1.2
98.23374	1.4
101.02391	1.5
131.97807	1.2
159.92102	1.5
184.07443	1.7
193.66624	1.1
260.95288	1.2
285.10019	1.3
299.86566	1.1
301.08847	1.9
306.44788	1.2
349.17249	2.1
355.17847	1.1
469.20764	2.3
485.17566	1.9
489.38293	1.2
551.28668	1.3
667.33069	1.8
682.91711	1.4
691.60736	1.3
709.34393	2.0
777.40387	2.2
795.39856	100.0
796.40057	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	795.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
61.02933	2.1
65.09370	0.3
67.05508	2.7
69.03435	1.2
69.07070	1.1
69.59740	0.9
69.60139	1.0
71.01353	0.4
71.05006	0.5
73.02919	1.4
79.05495	1.7
80.05845	0.4
81.03434	1.3
81.07060	2.3
83.04989	0.7
83.08630	0.8
83.71700	0.4
85.02905	1.8
86.09703	2.0
91.03965	1.0
91.05479	1.7
93.07050	1.8
93.30417	0.4
94.25110	0.4
95.04974	1.0
95.08615	0.9
97.02905	1.7
97.06503	0.5
97.10179	0.4
101.02388	0.4
105.07055	1.2
107.05009	0.6
107.08611	0.8
109.10140	0.6
112.99162	0.4
117.07098	0.6
119.08599	1.1
121.10175	1.2
125.00005	1.8
125.09656	0.4
127.57438	0.5
129.07092	0.4
131.08612	0.5
133.10161	0.7
135.11670	0.8
145.10120	0.7
147.11696	0.4
149.02364	0.5
149.09633	0.7
157.10120	0.5
163.11191	0.9
171.83934	0.4
184.07353	6.2
185.07759	0.5
200.20184	0.5
235.82658	0.4
243.08421	1.9
249.11349	0.4
267.09100	0.5
267.15924	0.6
268.16321	0.5
285.10214	0.8
301.08856	0.6
333.20349	0.6
349.16907	1.3
374.79379	0.4
443.18936	0.7
469.20609	0.5
485.18668	1.4
487.21777	0.8
510.44766	0.4
527.28040	0.4
549.26727	0.7
551.28357	1.3
562.38214	0.9
567.25409	0.8
625.47711	0.4
777.40369	1.5
795.39844	100.0
796.40088	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	795.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.6
57.03433	1.5
61.02932	3.2
62.80862	0.5
65.03934	0.5
67.05511	4.4
69.03435	2.3
69.07082	1.6
71.05004	0.5
71.07391	0.5
73.02923	2.2
79.05499	3.2
81.03431	2.4
81.07060	3.8
83.05008	0.8
83.08643	1.3
85.02907	3.3
85.34736	0.5
86.09711	5.4
88.07666	0.5
91.03959	1.9
91.05481	3.0
92.05868	0.5
93.07040	3.1
95.04972	2.1
95.08629	2.2
97.02922	2.9
97.06548	1.0
97.10152	0.5
98.98460	0.7
99.04445	0.5
101.02391	1.0
105.07036	2.2
107.04979	0.6
107.08598	1.4
109.02884	0.6
109.06524	0.6
109.10187	1.7
111.04470	0.8
114.97515	0.4
117.07072	0.5
119.08605	1.5
121.06539	0.6
121.10176	1.3
123.08087	0.7
123.11738	0.5
124.99986	4.1
125.09576	0.8
127.71484	0.4
129.07013	0.6
133.10164	1.3
135.08083	0.5
135.11728	0.7
145.10132	0.5
147.11711	0.4
149.01305	0.7
149.02409	1.4
149.09715	0.9
151.11224	0.5
159.11728	0.5
163.11191	0.6
164.86609	0.4
184.07352	14.5
184.08926	0.8
185.07672	2.3
193.05020	0.9
200.20152	1.1
243.08525	1.7
251.12738	0.6
265.22409	0.5
267.09198	1.2
285.10132	0.9
301.09097	0.9
315.10803	0.5
333.20242	0.8
349.16916	1.0
373.11325	0.5
423.19284	0.6
439.19449	0.7
441.07755	0.5
443.18805	0.5
453.20981	0.5
469.20215	1.5
485.19415	1.6
487.21719	1.2
549.26776	0.6
551.28308	2.8
562.37701	0.6
567.31708	0.7
693.35022	0.8
697.32324	0.5
709.34082	0.5
745.44489	1.1
777.40326	3.4
795.40271	100.0
796.40552	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
61.02935	4.0
67.05508	4.0
69.03432	3.3
69.07069	2.3
71.05002	1.0
72.75160	0.7
73.02927	4.4
79.05120	0.6
79.05489	3.9
81.03423	4.9
81.07053	4.0
83.05003	1.1
83.08632	1.5
85.02914	6.8
85.41948	0.6
86.09698	1.6
91.03972	3.0
91.05476	4.2
93.07068	2.9
95.04984	2.4
95.08620	1.2
97.02901	4.1
97.10142	0.7
99.04510	1.1
101.02393	1.8
105.07065	2.8
107.08626	2.1
109.02925	1.3
111.04445	1.2
111.08099	0.8
111.84541	0.6
119.08627	1.8
121.10165	1.5
123.08102	1.4
125.00005	1.3
125.09617	1.3
127.03919	1.3
129.07005	1.3
131.08575	0.8
133.10205	1.6
149.09650	1.2
157.10074	0.9
157.53236	0.7
157.97774	0.6
175.11261	0.8
184.07310	4.8
185.59464	0.7
193.12375	1.2
243.08475	3.2
251.12648	1.0
285.17239	0.7
301.08987	0.9
337.34567	0.7
349.20007	2.3
469.20465	9.8
470.20923	1.3
532.93640	0.7
541.22748	1.1
567.27985	5.2
654.80499	0.7
795.41309	100.0
796.41595	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	795.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.9
57.07088	1.2
60.40729	0.6
60.81765	0.6
61.02930	7.0
63.42299	0.6
67.05517	6.1
69.03439	3.1
69.07081	2.8
71.05006	1.9
73.02929	3.9
78.61071	0.6
79.05491	4.8
81.03433	3.9
81.07056	7.6
81.07465	0.8
83.04991	1.4
83.08613	1.4
85.02908	6.8
87.04505	0.7
87.46561	0.6
91.03947	4.0
91.05507	3.4
92.05801	0.6
93.07058	4.7
95.05016	1.1
95.08632	2.0
95.97114	0.7
97.02904	6.3
97.06561	1.0
97.10181	0.7
99.04463	1.4
101.02409	2.1
105.07049	3.0
107.04997	0.7
107.08602	2.7
109.02905	1.5
109.10184	2.0
111.08099	1.0
115.03914	1.1
117.07066	1.7
119.08585	2.4
121.10184	1.5
123.04214	0.8
127.03962	2.4
129.05516	1.0
131.08598	1.9
133.10149	1.9
135.08165	0.8
135.11711	1.6
145.04994	0.8
147.11720	1.2
149.13359	0.8
184.07196	1.2
185.04221	4.7
195.13898	1.1
201.03734	1.8
203.05383	0.6
235.13216	1.0
241.06898	1.0
243.08388	5.2
259.08099	0.7
291.15723	0.9
301.08923	11.2
315.10495	3.2
329.12054	0.7
333.20242	4.1
334.61258	0.7
349.17087	0.7
365.23062	1.4
369.15457	0.8
371.16687	1.0
373.11084	5.3
378.26498	0.7
385.18356	6.7
413.17877	1.0
423.20120	1.6
429.17300	1.9
431.24240	2.6
439.19293	1.0
453.20972	8.2
457.20660	1.9
469.20499	4.4
471.22137	1.2
477.24860	2.1
483.22290	4.1
484.22818	1.0
485.19235	1.1
512.22485	1.1
515.33612	2.5
516.22003	1.1
525.23291	1.6
533.27191	1.0
541.22931	1.0
542.23407	1.1
551.28229	7.1
561.34021	1.3
567.31689	1.6
568.31555	1.1
583.31030	2.6
595.29858	1.0
596.31964	0.9
610.29810	1.3
623.30518	3.8
625.31531	0.8
626.33112	0.8
637.32178	2.6
651.33600	3.3
652.34399	1.0
667.33142	0.8
693.37921	3.7
694.38696	1.0
705.38647	7.0
723.38800	0.9
733.42218	0.9
749.40704	2.4
777.40363	4.0
795.42273	100.0
796.42560	14.2
811.21411	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	795.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38118	0.5
61.02931	0.7
64.29707	0.4
67.05511	0.6
81.07059	0.6
81.63361	0.4
86.09718	1.4
89.47701	0.4
93.07071	0.4
94.45841	0.3
95.08606	0.7
120.02344	0.5
120.34673	0.4
125.00057	0.6
133.83907	0.4
184.07356	4.1
195.09755	0.5
379.08719	0.5
413.17990	0.7
517.20538	0.6
519.29181	0.9
535.26483	0.7
637.73425	0.5
642.97540	0.5
647.26105	0.5
657.63074	0.5
691.40417	5.9
692.40723	0.7
795.42877	100.0
796.43201	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.05000	0.8
61.02930	7.3
65.03947	0.7
67.05505	8.6
69.03429	5.2
69.07066	3.8
69.89381	0.5
71.01366	0.9
71.04997	3.7
73.02923	5.5
79.05491	4.9
80.05830	0.6
80.39318	0.5
81.03419	3.1
81.07058	10.5
83.04980	1.5
83.08620	2.0
85.02908	6.2
85.06541	0.7
87.04430	0.6
91.03969	3.3
91.05478	5.4
93.07041	6.0
93.17348	0.5
95.04981	1.7
95.08607	3.1
97.02893	5.6
97.06527	0.9
97.10178	1.0
98.22626	1.2
99.04460	1.3
101.02387	2.6
105.07066	2.4
107.04985	1.1
107.08593	4.0
109.02910	0.9
109.06507	1.1
109.10179	2.5
111.08064	1.1
113.17641	0.5
117.07011	1.9
119.08580	2.7
121.06524	1.0
121.10154	2.1
123.11707	0.8
125.00045	0.6
125.09660	0.5
127.03070	0.5
127.03938	2.2
129.05518	0.6
131.08568	1.9
133.10150	2.5
135.11690	1.5
145.04951	0.6
145.10144	0.7
146.55971	0.6
147.11711	1.4
149.02312	0.6
149.13278	1.5
159.11714	1.2
163.11240	0.9
183.11560	0.5
184.07310	1.5
185.04260	2.0
195.13881	0.6
196.75731	0.6
235.13156	0.6
243.08415	5.3
269.17618	0.9
299.80762	0.5
301.08994	1.8
304.53250	0.6
315.19412	0.7
333.20462	0.9
365.23029	2.3
373.11084	0.7
385.18549	0.8
413.17767	2.2
443.48608	0.5
453.20941	8.8
469.20651	1.0
477.24219	0.7
483.21832	0.8
485.23303	1.7
525.22833	0.7
533.27417	1.0
551.28113	2.6
583.30920	5.0
651.33466	0.9
705.38177	10.6
706.38007	1.6
737.39410	0.7
749.40900	1.7
777.39972	2.4
795.44714	100.0
796.44928	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	795.45
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
57.72099	0.7
59.32348	0.8
60.29184	0.8
61.02934	4.0
67.05523	3.3
69.03445	2.9
69.07074	2.1
69.57057	2.9
71.04998	1.9
73.02938	4.1
79.05489	4.9
81.03437	3.1
81.07059	4.2
83.08654	1.0
85.02927	3.6
85.99578	0.9
86.09736	1.1
91.03995	2.4
91.05495	4.3
91.89831	0.8
93.07071	4.7
95.04981	1.8
95.08644	2.0
97.02914	2.9
101.02406	1.8
105.07072	3.4
107.08617	1.8
109.02911	1.3
119.08603	2.2
121.10191	1.7
125.62482	0.8
127.03983	1.5
131.08615	1.9
133.10107	1.9
140.03207	0.9
147.11809	1.2
149.09720	1.5
161.55644	0.9
176.30838	1.0
184.07455	1.0
185.04385	1.0
243.08545	2.2
283.15240	2.9
301.09018	0.9
324.80850	0.9
362.01163	0.9
485.23477	2.6
501.23041	10.7
535.28717	4.2
573.25696	1.6
795.45044	100.0
796.45575	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
61.02927	4.2
67.05508	4.8
69.03424	3.5
69.05811	3.2
69.07061	2.1
71.01346	0.4
71.04995	3.7
71.22536	0.4
73.02917	3.0
79.05502	2.9
81.03432	1.3
81.07063	8.4
83.04987	0.6
83.08628	1.2
85.02903	4.1
85.06539	0.7
86.09707	0.6
87.04469	0.5
91.03941	2.2
91.05488	4.3
93.07040	3.2
95.04955	0.4
95.08595	2.4
97.02899	4.4
97.06554	0.7
99.04482	1.2
99.08165	0.5
101.02421	1.7
105.07034	2.0
107.08578	1.9
109.02884	0.6
109.06542	0.6
109.10121	0.7
111.08135	0.4
117.07041	1.1
119.08622	0.9
121.10184	1.3
123.08102	0.5
123.11752	1.4
127.03957	1.1
131.08603	1.4
133.10158	2.6
135.11700	0.4
147.11745	1.3
149.13295	0.4
151.11232	1.0
157.10139	0.6
159.11755	1.0
177.12793	0.6
183.13976	0.5
184.07381	1.2
185.04237	0.5
222.94559	0.3
243.08382	3.1
267.15863	1.1
267.72827	0.4
323.18753	0.5
333.20444	2.9
423.20020	0.7
425.21652	0.5
453.21094	0.4
485.23584	9.4
486.23822	0.6
501.22784	0.4
551.28229	6.8
552.28699	0.5
584.69299	0.4
667.37238	0.5
795.44965	100.0
796.45288	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
61.02929	5.2
67.05512	6.3
68.02698	0.3
69.03434	3.6
69.07078	1.6
71.01395	0.5
71.05009	4.1
71.08642	0.4
71.27673	0.4
73.02926	4.0
76.24694	0.3
79.05495	3.8
80.05820	0.4
80.63964	0.4
81.03426	2.7
81.07058	7.2
83.05001	1.1
83.08637	1.7
85.02913	4.8
85.06557	0.8
91.03950	2.7
91.05480	5.0
92.05815	0.5
93.07053	4.1
95.04990	1.7
95.08611	3.2
97.02893	4.7
97.03414	0.4
97.06564	1.1
97.73904	0.3
99.04491	1.4
99.08115	0.7
101.02374	2.5
103.03960	0.6
105.07039	2.7
107.04967	0.8
107.08582	3.5
109.02873	0.5
109.06548	1.1
109.10196	1.5
111.08131	0.7
115.04026	0.5
117.07040	1.4
119.08620	1.4
121.10197	1.5
123.11744	1.3
125.00050	0.4
125.09682	0.6
127.03957	1.0
129.07019	0.6
131.08578	1.9
132.08968	0.4
133.10141	3.6
135.08092	0.4
135.11726	0.8
137.09631	0.5
143.08585	0.5
145.05049	0.4
145.10164	1.0
147.11748	0.9
149.09740	0.8
149.13347	1.0
151.11258	1.1
159.11752	1.0
163.11272	0.9
175.11240	0.4
177.12848	0.5
183.13840	0.5
184.07414	1.5
185.04366	0.7
187.13376	0.5
243.08376	3.4
257.17535	0.6
259.08264	0.3
267.15921	1.0
269.17633	0.9
275.20096	0.4
283.15121	0.7
292.20114	0.4
295.25446	0.4
317.20923	0.6
323.18384	0.5
333.20374	3.4
389.23334	0.6
453.21011	0.9
469.19876	0.5
471.22226	0.5
485.23605	8.6
485.30093	0.6
486.23999	0.5
501.23157	1.8
533.27448	0.5
535.28888	1.4
551.28400	5.9
580.33142	0.6
598.34662	0.7
625.32227	0.6
633.49384	0.4
651.33246	0.7
667.31183	0.7
709.32330	1.1
721.33533	0.4
774.02008	0.4
795.44995	100.0
796.45367	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32182	0.4
57.03452	2.0
61.02927	5.8
65.03947	0.4
67.05515	5.5
69.03428	3.4
69.03728	0.3
69.07084	1.6
71.01373	0.9
71.05016	1.1
73.02927	4.2
79.05502	4.3
81.03439	1.9
81.07065	5.1
83.05010	1.0
83.08593	0.5
85.02906	5.1
85.06548	0.6
86.09747	1.2
87.04489	0.7
91.03970	3.3
91.05475	2.3
91.60466	0.4
93.07033	5.2
95.04973	0.9
95.08611	3.5
97.02908	4.6
97.06553	0.9
97.10179	0.8
99.04469	0.4
101.02425	1.6
105.07079	1.0
107.08614	2.7
109.02869	0.9
109.10191	1.2
111.04475	0.4
117.07034	0.7
119.08608	1.6
121.10130	2.8
125.05954	0.7
127.03928	1.9
131.08629	1.5
132.41324	0.4
133.10165	0.8
135.11778	1.5
139.11232	0.8
145.10172	1.2
147.11758	0.5
149.09653	0.9
152.47145	0.4
163.11298	0.6
184.07307	3.8
185.04260	1.0
196.35123	0.4
243.08401	3.3
267.12207	1.8
281.13632	0.6
299.14539	2.2
323.14944	0.5
335.26028	0.7
421.26846	0.5
439.19388	0.5
457.20816	0.8
485.19870	4.2
499.21933	0.5
517.22418	2.5
519.29254	5.7
520.29462	0.7
633.49408	0.7
717.42230	0.6
735.43225	1.3
763.42413	11.7
764.42841	1.7
777.44104	1.4
795.44971	100.0
796.45306	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
61.02925	6.4
65.54343	0.9
67.05502	8.6
69.03426	2.7
69.07092	1.1
71.04971	0.9
71.31329	1.1
72.76205	0.8
73.02915	4.4
78.60851	0.7
79.05485	2.7
79.10174	0.9
81.03432	1.6
81.07053	5.1
82.61240	0.8
83.08594	1.0
84.26584	0.8
85.02902	5.5
86.09698	1.5
87.04472	2.7
91.03961	3.6
91.05484	2.4
93.07050	4.1
95.08596	4.0
97.02880	5.1
101.02372	2.7
107.08602	1.9
109.02883	1.3
109.10170	7.0
121.10160	1.6
127.03879	1.3
135.11705	1.6
137.09587	1.1
150.08809	0.9
162.32248	0.8
173.11780	2.1
184.07388	4.7
185.04205	1.0
195.09929	1.5
229.14294	1.1
243.08501	2.6
335.25778	1.7
413.17944	9.3
519.29474	6.5
534.68640	1.1
691.40271	100.0
692.40588	18.9
795.43921	11.4
796.43945	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	796.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	1.0
69.03430	1.1
71.04999	0.6
73.48164	0.3
81.03413	2.7
85.02916	1.2
89.03917	5.2
91.05471	0.8
97.02910	1.1
98.23347	0.9
99.04443	2.2
99.52588	0.3
109.02887	6.8
111.04426	0.4
117.03379	15.6
118.97292	0.3
119.04957	0.7
121.06480	0.5
127.03922	10.9
134.03633	0.6
135.04411	1.0
137.05922	0.4
141.94662	0.3
145.02847	44.8
146.03189	1.1
147.04439	1.9
148.04710	0.8
149.05978	5.6
169.04965	0.6
177.05470	100.0
178.05852	3.2
187.06010	1.4
195.06381	0.5
229.07065	1.0
243.06474	0.4
247.08092	0.5
259.09610	0.5
264.16345	0.3
265.88437	0.4
285.07513	1.2
303.08640	18.8
304.08783	1.0
515.15527	6.9
516.16034	0.8
724.74561	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	796.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54612	0.4
66.47607	0.4
67.01846	1.6
69.03424	0.7
73.19546	0.4
75.69863	0.4
81.03413	2.0
84.75557	0.4
85.02898	2.1
87.65015	0.5
89.03916	4.6
91.05489	1.0
97.02874	1.3
98.22632	1.8
98.52328	0.4
99.04436	0.7
103.69048	0.4
109.02870	6.8
117.03378	13.7
118.39153	0.4
127.03908	4.5
134.03586	0.8
135.04398	0.7
145.02852	41.8
146.03174	1.1
147.04399	0.9
149.05989	4.6
177.05470	100.0
178.05798	3.7
187.05907	0.7
232.93010	0.5
239.83231	0.5
261.21591	0.5
285.07544	1.1
303.08621	19.8
304.08905	1.1
422.78894	0.5
515.15564	7.3
516.15405	0.7
543.28137	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	796.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
60.08165	6.0
61.35365	0.4
67.05500	1.0
71.07381	3.1
75.03678	0.4
79.05492	0.6
81.07072	1.0
86.09710	29.6
87.04511	0.5
87.10078	0.5
93.07033	0.6
98.98466	3.7
104.10751	2.0
107.08547	0.7
109.10182	0.7
109.39638	0.5
125.00014	17.7
152.30258	0.5
154.83533	0.4
176.58954	0.5
184.07352	100.0
185.07765	2.7
189.67523	0.5
253.14368	0.5
265.10599	0.5
318.98813	0.5
407.93558	0.5
503.68457	0.5
648.35413	0.5
778.53912	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	796.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.8
57.12601	0.2
57.67535	0.2
58.06627	0.5
60.08167	5.4
63.60074	0.2
67.05506	0.5
69.07079	0.3
69.07685	0.3
69.08089	1.0
70.06606	0.2
71.07378	3.6
81.07027	0.2
86.09709	26.6
87.10037	0.4
89.44636	0.2
93.07052	0.2
95.08616	0.3
98.98465	3.8
104.10751	2.7
109.10223	0.2
125.00008	19.0
184.07349	100.0
185.07687	1.4
195.00327	0.4
266.69803	0.2
305.75632	0.2
431.54825	0.2
520.34070	0.2
625.44147	1.1
796.54999	4.9
797.54834	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	796.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.7
57.07091	6.7
58.51954	1.2
60.08163	1.6
61.02927	2.9
65.03938	2.5
67.05512	67.6
69.07075	27.8
71.04984	1.7
71.07356	1.9
71.08630	3.7
79.05499	20.7
81.07063	64.7
82.07394	2.2
83.04980	1.8
83.08625	16.2
85.02909	2.7
85.06574	1.6
85.10193	1.9
86.09715	13.4
87.15912	1.2
91.05485	15.4
93.07054	23.7
95.04976	1.6
95.08615	55.8
97.02884	2.6
97.06547	2.8
97.10180	6.7
98.98483	1.4
99.08115	2.1
105.07041	12.8
107.08606	16.4
109.10164	20.9
111.08090	2.1
119.08591	8.2
121.10150	12.9
123.11709	8.7
125.00029	10.6
125.09575	1.4
131.08577	3.4
133.10115	7.4
135.11707	8.2
137.09656	1.1
137.13304	2.8
145.10109	2.4
147.11647	5.5
149.13284	4.5
151.14813	2.1
159.11766	1.7
160.50491	1.3
161.13284	3.9
163.14850	2.7
173.13260	2.3
175.14816	3.2
184.07353	41.1
185.07654	1.8
195.54564	1.2
201.16583	1.4
228.87958	1.6
235.24272	1.4
243.21156	3.4
245.22696	3.5
261.22134	7.5
263.23721	4.6
273.99323	1.1
335.25818	11.6
337.27374	100.0
338.27740	7.8
339.29047	12.4
382.52750	1.2
431.28336	1.1
515.41583	1.3
525.46661	1.6
560.22766	1.3
599.50360	30.4
600.50574	4.6
617.51343	18.9
618.50867	1.9
625.43866	2.1
796.54395	1.8
797.51532	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	797.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.60473	0.3
65.03945	0.3
67.81923	0.2
68.99776	0.6
69.03435	16.0
71.01340	0.9
71.04973	0.8
71.28913	0.3
71.29275	0.4
72.39529	0.3
73.67247	0.2
77.03956	0.4
79.01842	0.3
79.05478	0.7
79.12939	0.3
81.03425	29.3
82.03748	0.6
83.01335	1.1
85.02918	1.6
89.03923	0.7
91.05470	1.0
95.04964	0.4
97.02903	3.1
99.04446	1.2
101.02376	0.4
103.05453	1.2
105.03394	1.1
107.04950	0.8
109.02891	16.1
111.04443	0.5
115.05492	0.4
115.51797	0.3
117.03373	0.7
118.04155	0.4
119.04916	0.9
120.01925	0.3
121.02869	0.5
122.45668	0.3
127.03917	5.7
128.04279	0.3
129.03358	0.7
131.04921	1.2
133.02849	2.5
135.04398	0.6
137.02301	0.5
145.02821	1.8
145.04926	0.3
147.04416	2.7
151.03874	0.6
153.01814	0.6
153.75215	0.3
157.02867	1.9
159.04427	1.0
161.02365	3.8
162.03043	0.6
163.03923	5.0
165.01830	1.0
173.02347	3.1
174.03012	0.3
175.03880	2.9
177.01830	0.7
177.05428	0.6
178.02580	0.4
179.03392	1.9
181.01279	0.6
181.04915	0.3
183.00815	0.4
185.02380	2.1
185.18135	0.2
187.03909	5.2
189.01840	7.0
190.02628	1.4
191.03404	6.7
193.01338	1.1
193.04893	0.3
195.02817	0.3
201.01843	6.4
202.02502	0.8
203.03401	6.0
205.01309	0.6
205.04819	0.4
206.02061	0.5
207.02898	4.6
213.01840	4.0
215.03389	4.1
217.01340	12.1
218.02115	3.2
219.02905	8.0
220.03352	0.3
221.00882	1.6
221.04466	1.2
229.01378	5.4
230.02089	0.9
231.02895	21.9
232.03137	1.4
233.00957	0.3
233.04482	0.9
234.01573	0.8
235.02379	12.1
236.03038	0.8
238.01205	0.3
239.01846	0.6
241.01311	3.8
241.05067	0.5
243.02820	0.5
245.00842	10.4
245.04575	0.5
246.01501	1.0
247.02406	9.8
248.02969	0.8
249.03993	2.8
253.03384	0.5
256.98083	0.5
257.00842	9.0
258.01379	0.9
259.02396	34.3
260.02814	1.6
261.04074	1.5
262.01071	1.2
263.01910	5.8
271.02438	0.3
271.99673	0.3
273.00336	10.6
273.03467	0.7
274.01028	1.5
275.01874	13.8
276.02664	6.9
277.03442	100.0
278.01038	0.4
278.03809	4.9
285.00317	5.8
285.03275	0.2
286.00812	0.7
287.01788	1.8
289.03488	2.2
291.01382	3.8
292.01715	0.3
297.04016	0.5
300.99835	3.4
302.00513	0.5
303.01361	88.2
304.01697	4.8
305.02896	3.6
315.01471	0.5
315.04910	0.3
319.00827	5.9
320.00922	0.4
321.02417	2.2
323.03961	0.6
328.99362	0.5
331.00803	1.5
333.02405	5.1
335.04294	0.6
346.90430	0.3
349.02087	0.4
351.03491	24.2
352.03833	1.1
355.04614	0.3
361.05563	0.4
367.04645	0.5
371.04004	0.5
385.05612	0.4
389.05167	0.3
411.03848	0.6
417.04782	0.5
421.03876	1.1
429.04630	1.5
435.05707	0.4
445.03964	1.2
447.05536	1.1
459.05511	0.6
463.04819	0.7
477.06686	5.9
478.06766	0.3
495.07657	0.9
797.08307	5.0
798.08118	0.6
804.86389	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	797.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
63.02383	0.2
65.03941	0.3
69.03427	16.1
70.03759	0.2
71.01348	0.9
71.05004	0.9
71.32684	0.3
74.61986	0.2
77.03947	0.4
79.01872	0.3
79.05493	0.7
81.03414	31.2
81.92376	0.2
82.03736	0.6
83.01342	1.1
85.02902	5.1
89.03948	0.8
91.05468	1.4
95.01328	0.3
95.04982	0.3
97.02890	3.3
99.04445	1.2
100.07812	0.2
101.02342	0.2
103.05463	1.4
105.03398	0.7
107.04961	0.7
109.02876	16.8
110.03102	0.2
111.04430	0.7
113.02350	0.2
117.03362	1.0
119.04948	0.8
123.04395	0.2
125.02328	0.3
127.03912	5.2
129.03371	0.7
131.04912	1.1
133.02852	2.3
134.03703	0.3
135.04427	0.5
137.02347	0.6
141.06976	0.2
145.02841	1.6
146.03607	0.3
147.04398	2.0
149.02333	0.2
151.03938	0.6
153.01799	0.3
157.02856	2.0
159.04398	0.6
160.01518	0.4
161.02332	2.7
161.06023	0.2
162.03168	1.2
163.02521	0.2
163.03903	4.8
163.05188	0.4
164.04253	0.3
165.01819	1.0
171.04340	0.2
173.02335	3.1
174.03108	0.7
175.03928	3.3
175.05435	0.3
176.04524	0.2
177.01840	0.5
177.05505	0.6
178.02855	0.2
179.03374	1.7
181.01315	0.3
183.00719	0.4
185.02328	2.1
185.05951	0.2
187.03880	5.5
187.05437	0.4
188.00960	0.2
188.04285	0.2
189.01828	4.9
190.02567	1.8
191.03395	6.1
192.03972	0.4
193.01303	1.2
193.04947	0.2
199.03986	0.2
201.01820	7.3
202.02603	1.0
203.03372	6.3
204.03653	0.2
205.01372	0.3
205.04964	0.8
206.02037	0.4
207.02884	4.9
208.03098	0.3
209.00777	0.2
211.00237	0.5
213.01834	4.2
213.05475	0.3
214.02400	0.2
215.03371	5.3
216.00552	0.4
216.03905	0.5
217.01315	7.2
217.04646	0.3
218.02080	6.3
219.02858	8.3
220.03453	0.4
221.00844	1.9
221.04303	1.1
222.01450	0.2
228.00430	0.3
229.01324	5.8
230.02039	1.0
231.02873	24.3
232.03421	1.8
233.00929	0.4
233.04384	1.4
234.01607	0.7
235.02354	12.0
236.02838	0.5
238.01109	0.3
239.01894	2.2
241.01292	4.4
243.02823	1.3
244.00145	0.4
245.00795	6.2
245.04509	0.4
246.01514	1.2
247.02370	10.3
248.02893	0.9
249.00308	0.3
249.03934	1.9
255.99902	0.2
257.00797	9.3
258.01373	0.8
259.02365	35.7
260.02737	2.4
261.01013	0.2
261.03946	1.8
262.01068	1.5
263.01871	3.5
269.04630	0.2
271.02481	0.9
271.99594	0.5
273.00317	8.1
273.03473	0.4
274.01068	4.3
274.99478	0.2
275.01837	15.8
276.02597	7.9
277.03409	100.0
278.03757	5.6
283.02469	0.2
285.00281	6.8
285.03534	0.4
286.00784	0.6
287.01883	2.0
288.02521	1.3
289.03378	5.3
290.03766	0.3
291.01385	2.4
291.04681	0.4
297.04059	0.2
300.99829	1.8
301.03113	0.3
302.00461	0.6
303.01328	90.4
304.01660	4.9
305.02869	3.5
306.03336	0.5
309.03885	0.2
313.03491	0.2
315.01392	1.1
315.04666	0.4
319.00806	6.2
319.04526	0.3
320.01007	0.2
321.02380	2.5
322.02963	0.2
328.99261	0.6
329.02811	0.2
331.00769	1.5
333.02362	7.3
334.02747	0.4
335.03796	0.3
337.02863	0.2
341.02872	0.4
349.02213	0.3
351.03439	28.5
352.03873	1.5
355.04410	0.7
357.05762	0.3
365.03113	0.3
367.04523	0.6
371.03888	0.5
381.02209	0.5
383.04092	0.3
385.05875	0.4
393.04135	0.2
399.03870	0.3
411.03333	0.4
417.04562	0.4
421.04068	1.0
427.02682	0.3
429.04352	1.5
431.06302	0.3
445.03986	1.0
447.05450	1.1
459.05350	0.7
463.04953	0.9
477.06583	7.2
478.06583	0.4
495.07367	1.0
674.94238	0.2
797.08240	4.5
798.07916	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	797.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
57.03719	0.4
59.08541	0.2
61.02930	5.7
62.18928	0.2
63.15096	0.2
65.03956	0.5
65.46931	0.3
65.77193	0.2
67.05508	5.2
69.03433	3.4
69.07072	2.9
71.01357	0.5
71.05006	0.8
73.02928	3.8
79.05498	4.3
81.03428	4.9
81.07063	7.1
82.03783	0.3
83.04986	1.1
83.08627	1.9
85.02912	7.5
85.06551	0.3
86.03262	0.3
87.04475	0.3
91.03962	3.3
91.05482	4.3
93.07052	3.7
95.04992	1.9
95.08628	1.8
97.02895	5.6
97.06546	1.0
97.10185	0.8
97.70778	0.2
99.04430	1.2
101.02373	2.3
103.03983	0.7
105.04546	0.3
105.07046	3.5
105.07697	0.4
107.04948	0.5
107.08598	1.9
109.02905	1.0
109.06501	0.7
109.10184	1.0
111.08114	0.7
115.03970	0.3
117.07023	0.6
117.42174	0.2
119.08577	2.1
121.06513	1.4
121.10139	1.6
123.08080	0.3
123.11695	0.3
125.04046	0.3
125.09672	1.0
127.03930	1.6
129.05545	0.2
129.07031	0.7
131.08591	1.6
133.10149	1.6
135.08098	0.3
135.11726	0.5
136.06223	0.7
137.03148	0.3
145.05034	0.5
145.10158	0.3
147.08121	0.3
147.11731	1.3
149.09688	0.8
149.13295	0.8
151.11217	0.3
157.10172	1.1
159.11726	0.5
165.12766	0.4
175.11267	1.0
185.04283	0.5
189.11325	0.5
193.12201	1.6
203.05394	0.4
211.13365	0.7
219.46616	0.3
243.08426	3.1
251.12601	1.1
267.15891	0.3
269.17551	0.6
303.01376	0.4
307.15298	0.5
351.21460	2.4
352.21820	0.3
404.56396	0.3
407.23914	0.7
459.27634	0.4
469.20486	9.3
470.20941	0.9
471.21777	0.4
501.36584	0.3
569.29352	8.1
570.29565	1.0
604.47662	0.3
635.37634	0.4
797.42908	100.0
798.43262	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	797.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.2
61.02920	3.1
67.05507	4.3
68.82499	1.0
69.03433	3.2
69.07069	2.0
71.01354	1.0
71.04991	2.5
73.02924	4.0
79.05511	3.4
81.03440	3.1
81.07064	5.7
81.30567	1.0
83.08614	1.1
85.02930	4.1
86.09698	2.4
87.04482	1.3
91.03960	2.1
91.05489	2.8
93.07059	3.9
95.04969	1.8
95.08617	2.0
97.02930	2.3
97.06547	1.1
99.04496	1.1
101.02386	1.4
105.07030	1.7
107.08576	1.2
109.10176	1.5
111.08180	1.2
119.08611	2.3
120.05717	1.0
121.10174	1.7
125.00063	1.1
127.03884	1.4
131.08655	1.1
133.10101	1.1
145.06549	1.3
165.33479	1.1
184.07358	9.2
185.07753	1.6
211.57315	1.3
243.08250	2.5
246.64142	1.1
333.20343	2.3
342.70151	1.0
443.18927	5.4
469.20657	3.5
471.21692	2.5
487.21475	6.1
551.28339	3.6
567.27881	1.5
620.02606	1.2
685.19928	1.3
779.42108	2.6
797.42865	100.0
798.43158	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	797.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30988	1.3
72.27822	1.0
80.65556	1.0
81.07083	1.2
86.09721	3.1
90.81770	1.1
105.46738	1.0
125.00047	1.6
129.51115	1.0
139.11252	1.1
183.41708	1.1
184.07312	8.7
234.39752	1.1
243.08586	1.0
284.70801	1.1
294.83972	1.2
304.42731	1.0
304.76920	1.2
371.60876	1.0
410.95383	1.1
693.42169	6.9
740.21143	1.3
797.44391	100.0
798.44836	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.7
61.02929	7.1
66.16843	0.4
67.05502	6.0
69.03428	3.3
69.07072	1.6
71.01366	0.6
71.04995	0.8
71.21711	0.6
73.02922	5.0
79.05499	4.9
81.03427	1.8
81.07058	6.4
83.08612	0.5
85.02913	6.8
86.09689	1.0
87.04486	0.6
91.03944	3.9
91.05474	2.6
93.07037	4.5
95.04992	0.7
95.08601	4.5
97.02892	5.1
99.04485	1.4
101.02381	1.9
105.07060	1.5
107.08612	1.7
109.02909	0.6
109.10190	1.8
119.08599	1.5
121.10179	1.9
125.00027	0.7
127.03959	1.3
128.26128	0.4
131.08574	0.7
133.10143	0.8
135.11708	1.3
139.90913	0.4
145.04976	0.5
147.11682	0.7
184.07333	2.5
185.04263	1.0
203.05423	0.4
243.08450	1.4
288.17361	0.5
335.25748	0.9
519.29285	15.9
520.29871	1.8
529.76501	0.6
620.88171	0.5
707.88025	0.6
797.51660	100.0
798.51984	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	798.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05658	0.8
65.03942	1.5
67.01889	0.1
81.03424	0.2
91.05486	9.9
92.05830	0.2
98.23367	0.3
109.02876	0.8
109.10158	0.2
109.72810	0.1
118.04055	0.2
119.04950	20.7
120.05218	0.6
121.06547	0.2
127.03935	0.5
147.04414	100.0
148.04758	3.4
172.98946	0.1
179.03294	0.1
196.85559	0.1
255.06512	0.2
273.07614	1.7
280.41086	0.2
302.47275	0.1
419.11429	0.9
601.16547	0.4
799.25079	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	798.26
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67238	0.1
63.02348	0.1
65.03931	1.4
67.01877	0.1
70.92814	0.1
71.04978	0.1
81.03415	0.2
85.02918	0.1
91.05480	10.0
92.05807	0.3
95.04980	0.2
97.02905	0.1
105.07056	0.1
107.04929	0.1
109.02869	0.9
114.26264	0.1
119.04943	22.8
120.05281	0.6
121.06537	0.1
127.03922	0.5
137.05965	0.1
147.04407	100.0
148.04744	2.9
179.03386	0.1
180.08022	0.1
187.49451	0.1
188.36896	0.1
229.08499	0.4
251.75940	0.1
255.06474	0.2
273.07556	1.4
274.07831	0.1
419.11252	0.8
420.11496	0.1
601.17175	0.7
799.24939	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	798.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45923	0.3
64.99638	0.2
65.03932	1.0
72.35457	0.3
86.00275	0.2
91.05486	10.6
109.02883	1.9
119.04952	21.6
120.05266	0.6
121.06514	0.9
135.08086	0.7
147.04416	100.0
148.04758	3.5
179.03413	0.5
229.08571	0.8
255.06561	0.3
273.07584	1.8
324.06213	0.3
362.06512	0.3
419.11111	0.6
433.15906	0.3
482.12152	1.5
496.13931	0.5
601.17126	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	798.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.3
57.07068	6.6
60.10094	1.6
61.02939	3.5
65.03947	3.1
65.44879	1.6
67.05508	56.3
68.96867	13.9
69.03436	2.4
69.07069	24.1
71.04964	3.4
79.05067	2.5
79.05501	29.1
81.03412	2.2
81.07063	88.4
83.04968	3.1
83.08616	17.9
85.02895	3.9
85.06542	4.0
86.09722	4.1
91.04964	2.9
91.05485	29.2
93.07054	22.5
95.04961	7.5
95.08612	37.6
97.02891	1.8
97.06519	7.1
97.10132	3.8
97.66032	1.6
99.08103	7.7
105.07024	21.9
107.04965	4.7
107.08595	13.5
109.06522	14.0
109.10156	12.0
111.08086	4.9
117.07017	2.9
119.08591	22.0
121.06509	3.7
121.10152	10.8
123.08055	4.0
123.11714	9.4
125.00026	3.9
125.09628	2.3
129.07027	2.3
131.08589	7.8
133.10143	13.7
135.11691	7.5
137.13286	2.1
145.10120	5.2
147.11694	11.8
149.09673	4.2
149.13251	5.1
157.10138	2.8
159.11734	3.8
161.13261	4.4
163.11197	3.4
165.12758	2.3
173.13318	2.7
175.11089	2.1
175.14761	2.1
177.12746	2.0
184.07344	21.2
197.47295	1.8
217.19481	2.4
235.20599	3.8
238.69704	1.7
247.20624	2.0
257.18881	2.5
275.20065	33.1
293.21149	9.3
309.24243	100.0
310.24561	8.3
335.25751	3.0
349.23724	21.5
350.24945	2.0
367.24802	30.0
583.43573	39.9
584.43689	5.7
601.44531	35.2
602.44824	5.7
799.45526	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.8
60.00969	0.5
60.07885	0.7
60.08165	7.5
61.42608	0.5
71.07372	4.1
79.05457	0.5
81.07040	1.0
86.09705	31.8
87.10026	1.2
88.61415	0.5
93.07065	0.5
95.08605	1.0
98.98475	4.4
104.10738	2.3
109.10125	0.6
125.00003	24.3
127.80811	0.5
171.67664	0.6
184.07344	100.0
185.07675	2.0
607.92627	0.6
780.54675	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	799.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
63.02375	0.3
68.99789	1.4
69.03432	8.0
69.73123	0.5
71.01359	0.6
71.04978	0.9
77.03938	0.6
79.01856	0.2
79.05489	1.2
81.03419	53.2
82.03738	1.0
83.01336	0.6
85.02895	1.0
89.03918	1.3
91.05487	1.0
95.04972	0.4
97.02888	1.9
98.22649	0.3
99.04462	1.8
105.03399	1.6
107.04953	2.1
109.02880	26.7
110.03183	0.5
117.03376	2.4
119.04939	0.7
121.02872	0.4
123.04443	0.6
125.02359	0.8
127.03912	3.4
131.01273	0.2
133.02850	5.3
134.03151	0.2
135.04414	2.9
137.02376	1.2
139.03882	0.3
145.02859	1.9
147.04405	2.5
149.02374	0.7
151.00267	0.2
151.03886	1.0
153.01819	1.9
155.04834	0.2
157.02831	0.5
161.02341	6.6
162.03055	0.4
163.03906	14.5
164.04303	0.4
165.01814	2.2
171.04642	0.2
173.02361	4.3
175.03943	1.6
177.01860	1.3
179.03387	4.9
181.01334	1.2
185.02322	0.4
187.03941	0.4
187.71474	0.2
189.01830	14.6
190.02371	1.0
191.03391	16.1
192.03885	0.6
193.01323	2.2
193.04944	0.3
194.36369	0.2
195.02824	1.0
197.00845	0.5
201.01831	6.1
202.02280	0.3
203.03419	2.4
205.01338	0.9
207.02885	13.0
208.03308	0.5
209.00836	0.4
209.04489	0.5
216.00545	0.2
217.01324	24.2
218.01926	2.4
219.02893	17.9
220.03262	0.7
221.00819	5.8
221.04430	0.8
223.02347	0.4
229.01306	3.5
231.02911	2.5
233.00844	0.2
235.02374	30.7
236.02774	1.4
239.01849	2.3
245.00812	21.6
246.01193	1.2
247.02373	14.6
248.02791	0.5
249.00558	0.2
249.04016	0.5
257.00815	2.5
259.02371	0.7
263.01865	11.9
264.02319	0.8
265.03378	0.3
269.04602	0.4
271.99536	1.1
273.00302	22.4
274.00903	2.3
275.01852	16.6
276.02209	1.0
277.03400	0.4
291.01352	5.9
292.01721	0.3
297.03836	0.3
300.99780	9.2
302.00354	0.9
303.01324	1.0
309.02451	0.6
319.00842	17.4
320.01154	1.0
321.02478	0.6
337.01889	100.0
338.02261	5.9
361.01950	0.4
379.02951	0.5
399.03607	0.3
403.03082	0.3
417.04605	0.4
427.03006	0.4
435.05917	0.3
445.03952	1.9
448.32452	0.3
463.05060	4.0
464.05414	0.5
655.02643	0.2
707.45514	0.2
763.04077	0.4
781.05786	1.2
799.06207	32.5
800.06561	3.9
817.07697	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	799.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.76716	0.2
63.02375	0.4
64.30579	0.2
65.03935	0.4
68.99782	1.2
69.03429	9.5
70.03760	0.4
71.01352	0.7
71.04984	0.8
77.03925	0.9
79.05494	2.0
81.03417	57.4
82.03744	1.2
83.01350	0.6
83.04969	0.3
85.02910	1.5
89.03893	1.7
91.05465	1.3
92.31227	0.2
93.03406	0.4
95.01327	0.4
95.04972	0.8
97.02884	1.8
99.00818	0.6
99.04449	2.1
103.05473	0.2
105.03387	2.1
105.04501	0.2
107.04957	2.5
109.02877	29.5
110.03215	0.6
113.02355	0.3
117.03370	2.4
119.04962	0.9
121.02876	0.4
123.04397	0.6
125.02405	0.4
127.03912	4.5
129.01802	0.3
129.03398	0.3
133.02847	6.4
134.03618	0.3
135.04393	2.5
137.02338	1.6
139.03885	0.3
145.02863	2.2
147.00793	0.3
147.04414	4.0
149.02327	0.8
151.00252	0.2
151.03923	1.7
153.01820	2.1
157.02853	0.6
161.02338	7.5
162.03128	0.3
163.03899	16.7
164.04190	0.5
165.01842	3.1
165.05435	0.3
166.71027	0.2
170.32771	0.2
173.02344	3.9
175.03894	2.1
177.01862	1.6
179.03386	5.9
181.01283	1.5
183.00818	0.2
185.02341	0.3
187.03932	0.3
189.01823	14.9
190.02406	1.3
191.03389	19.0
192.00618	0.3
192.03763	0.8
193.01323	4.2
193.05008	0.7
195.02940	1.2
197.00876	0.3
199.00203	0.3
201.01823	5.8
203.03381	3.2
205.01308	1.5
207.02884	16.9
208.03293	0.9
209.00841	0.6
209.04478	0.5
213.01891	0.3
215.03542	0.3
217.01315	23.5
218.01942	2.6
219.02879	24.6
220.03185	1.0
221.00838	5.6
221.04306	1.7
223.02379	0.5
229.01334	3.5
229.04936	0.2
231.02869	3.7
231.05054	0.3
233.00835	0.4
234.01605	0.3
235.02362	38.3
236.02779	1.6
239.01807	2.5
245.00810	23.0
246.01189	1.0
247.02367	17.9
248.02827	0.9
249.00208	0.4
249.03883	1.0
251.01875	0.4
253.03415	0.4
257.00824	3.6
257.04022	0.3
257.04507	0.3
259.02362	1.8
263.01855	12.4
264.02261	0.5
265.03470	0.3
269.04422	0.3
271.99414	1.4
273.00287	23.2
274.00864	1.9
275.01843	15.9
276.02322	0.9
277.03384	2.4
278.03799	0.4
281.04541	0.3
285.00317	0.3
287.01834	0.3
289.03156	0.3
291.01324	6.4
292.01709	0.5
297.03900	0.4
299.05350	0.2
300.99777	8.5
302.00528	1.0
303.01358	2.6
307.04745	0.3
309.02597	0.7
319.00830	16.3
320.01245	0.9
321.02396	0.9
337.01874	100.0
337.98254	0.3
338.02264	5.2
379.02881	0.3
399.03384	0.3
403.02509	0.3
407.02322	0.3
417.04492	0.4
427.03094	0.6
445.04019	2.7
446.04529	0.3
463.05045	6.5
464.05383	0.6
674.07220	0.3
763.04126	0.4
781.05383	1.1
799.06171	30.8
800.06702	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	799.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
63.02397	0.3
65.03941	0.8
68.99800	1.0
69.03431	14.5
69.12785	0.7
69.13210	1.1
70.03758	0.2
71.01347	0.8
71.04992	1.3
77.03932	0.5
79.01863	0.5
79.05495	1.4
81.03419	49.8
82.03779	1.2
83.01340	0.7
83.04979	0.3
85.02911	2.0
89.03935	1.0
91.05474	1.6
95.01332	0.5
95.04972	0.5
97.02892	3.8
98.23408	0.4
99.00833	0.4
99.04466	2.2
101.02434	0.3
103.05466	1.0
105.03394	1.0
107.04954	1.7
109.02882	30.5
110.03204	0.8
111.04478	0.7
117.03372	1.4
119.01318	0.7
119.04951	1.2
121.02889	0.4
123.04440	0.5
125.02341	0.4
127.03916	7.3
129.03368	0.7
131.04984	0.6
133.02849	3.2
135.04434	1.8
137.02319	1.4
139.03911	0.3
145.02853	1.7
146.03659	0.4
147.00803	0.7
147.04408	4.6
149.02351	0.6
151.00340	0.6
151.03929	1.3
153.01826	1.2
157.02844	2.0
159.04393	0.6
161.02344	3.2
162.02960	0.3
163.03911	11.0
164.04381	0.4
165.01840	3.3
173.02328	3.5
174.03003	0.5
175.03896	4.0
177.01834	2.5
179.03409	3.4
181.01320	1.2
181.04988	0.4
183.00821	0.3
183.02921	0.5
185.02321	2.4
187.03894	3.7
189.01839	7.0
190.02509	0.8
191.03391	18.8
192.00569	0.6
192.03943	0.7
193.01317	5.6
193.04991	0.8
194.02029	0.4
195.02893	0.5
199.04152	0.3
199.06049	0.8
201.01814	7.4
202.02499	1.0
203.03395	10.4
204.03838	0.4
205.01305	2.5
205.05147	0.4
207.02884	10.4
208.03186	0.6
209.04453	0.7
210.01668	0.2
213.01843	3.7
215.03387	3.6
217.01331	9.8
218.02034	2.2
219.02884	23.7
220.03113	1.5
221.00813	18.9
221.04451	1.0
222.01257	0.7
223.02345	1.0
229.01329	5.6
230.01976	1.1
231.02881	21.5
232.03288	1.3
233.00815	4.1
233.04492	1.1
234.01138	0.3
235.02373	35.6
236.02667	1.8
237.03656	0.2
238.01091	3.7
239.01845	6.0
241.01292	2.8
241.05045	0.4
243.02866	0.5
245.00818	9.5
245.04594	0.5
246.01294	0.8
247.02377	21.2
248.02782	1.3
249.03900	1.2
251.01894	0.4
253.03419	15.5
254.03725	0.6
257.00793	10.7
258.01306	0.7
259.02383	29.6
260.02722	1.6
261.01218	0.2
261.03964	1.7
263.01874	5.6
264.02377	0.4
265.03491	0.4
269.04437	0.3
271.02377	0.3
271.99683	0.3
273.00302	8.9
273.03433	0.6
274.00891	0.9
274.97540	0.4
275.01859	26.6
276.02585	6.4
277.03424	100.0
278.03769	5.1
279.04764	0.9
285.00327	5.7
285.03549	0.3
287.01901	0.5
289.03421	4.4
291.01401	2.7
291.04712	0.6
292.02036	0.3
293.02802	1.8
300.99875	3.2
301.03073	0.4
302.00552	0.6
303.01346	64.6
304.01645	4.0
305.02798	1.8
307.04468	4.7
309.02530	0.7
313.03555	0.4
315.01431	0.5
317.02972	1.2
319.00833	7.9
319.04541	0.6
320.01102	0.3
321.02399	4.6
328.99481	0.3
331.00766	1.0
335.03983	7.5
336.04303	0.3
337.01886	45.5
338.02234	2.5
339.04758	0.3
343.04379	0.3
349.01877	0.7
351.03439	0.3
353.05032	7.1
354.05356	0.5
355.04419	0.5
363.03662	0.3
367.04736	0.3
373.05566	0.4
383.03815	0.3
385.05603	0.6
387.03668	0.2
399.03192	0.4
401.05194	0.4
411.03601	0.6
419.06125	1.9
423.05609	0.5
427.02814	0.4
429.04474	1.9
433.07706	0.6
445.03967	1.4
447.05597	3.5
451.08774	0.6
461.07114	0.6
463.05063	3.5
464.05603	0.4
465.06757	0.3
479.08322	1.8
479.14377	0.3
497.09644	0.3
739.07489	0.3
766.54572	0.3
767.06433	0.6
781.05664	0.8
799.06708	13.9
800.06958	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	799.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73449	0.1
60.04512	0.2
68.99792	0.2
69.03423	0.4
69.42126	0.2
69.42531	0.4
70.06586	0.3
79.01856	9.5
79.05458	0.1
80.02177	0.2
81.03420	1.4
82.86650	0.1
87.00841	0.3
89.03928	0.1
91.05480	0.2
97.02897	1.8
99.04417	0.1
103.05476	0.1
107.01324	2.0
107.04926	0.1
109.02876	1.3
120.08113	0.2
123.00768	0.3
123.04264	0.1
125.02351	3.8
125.36103	0.1
127.03930	1.1
131.04944	0.3
133.02858	0.3
135.04396	0.2
143.03401	9.5
144.03731	0.2
145.02908	0.1
147.04387	0.2
153.01833	100.0
153.02908	7.3
154.02147	2.8
154.03384	0.2
157.04910	0.1
157.06105	0.1
159.04465	0.4
161.02348	0.5
161.06007	0.1
163.03931	1.4
165.01810	0.3
167.03381	1.1
171.02852	0.1
173.02339	0.4
177.05452	0.3
179.03386	0.3
181.01347	0.1
185.04449	0.3
187.03934	0.2
189.01862	1.1
189.05550	0.3
190.02612	0.1
191.03372	1.1
192.03990	0.1
193.01337	0.1
195.02896	0.1
197.00871	0.1
201.01836	0.4
202.08244	0.2
203.03413	0.4
205.04980	1.0
207.02872	0.9
207.04396	0.1
215.03343	0.3
216.99416	0.2
217.01341	2.0
217.04889	0.2
218.02116	0.4
219.02905	1.8
221.00832	0.4
221.04550	0.2
229.01376	0.3
231.02826	0.4
233.04442	1.2
234.01500	0.1
235.02362	2.3
236.02811	0.1
238.01122	0.1
239.01770	0.1
243.02826	0.2
245.00822	1.7
247.02478	1.0
249.00578	0.1
249.03850	0.5
253.03487	0.3
257.00885	0.2
259.02457	0.2
261.03986	1.4
262.00998	0.2
263.01926	1.0
273.00305	2.1
274.00989	0.1
275.01877	1.0
277.03394	0.9
279.04968	0.4
287.01877	0.2
289.03433	0.1
291.01392	0.3
300.99838	0.8
303.01297	0.3
305.03003	0.5
309.02676	0.1
319.00836	2.6
320.00970	0.2
333.02426	2.5
334.02740	0.2
336.15424	0.1
337.01865	1.0
337.15811	0.1
351.03473	10.0
352.03680	0.4
427.03140	0.2
435.74976	0.1
445.04034	0.1
468.10071	0.1
477.06812	0.1
496.87051	0.1
503.04602	0.3
612.57220	0.1
627.81531	0.1
730.21973	0.1
733.60229	0.1
753.11749	0.1
799.08594	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	799.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49107	2.1
62.52722	1.9
63.17659	1.7
67.05515	3.5
67.52295	1.9
74.82115	2.3
82.96746	2.0
86.09702	5.5
96.65496	2.4
98.23386	5.2
101.30919	2.3
115.63282	2.2
125.00019	2.9
142.21693	2.1
165.35333	2.2
184.07367	18.2
406.34564	2.1
695.43420	17.9
703.20886	2.5
799.45978	100.0
800.46045	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
61.02934	5.4
67.05514	5.9
69.03439	3.6
69.07076	1.8
71.01340	0.6
71.05022	0.5
71.83310	0.4
73.02921	4.3
79.05498	2.6
81.03436	1.5
81.07064	5.7
83.08637	1.0
84.95969	0.4
85.02914	4.3
86.09714	0.8
91.03973	3.5
91.05502	1.3
93.07062	3.1
95.08620	3.7
97.02904	4.9
98.22642	0.8
98.98528	0.5
99.04504	0.8
101.02419	1.9
105.07057	0.7
107.08616	1.3
109.02914	0.6
109.10197	1.2
111.04550	0.4
119.08618	0.8
121.10184	1.4
123.11739	0.5
125.00097	0.7
127.03926	1.8
133.10139	0.7
135.11740	0.9
184.07385	3.6
185.04297	0.6
197.68269	0.4
203.05173	0.4
213.11203	0.4
228.86996	0.4
243.08498	1.5
326.13321	0.5
369.30975	0.4
414.20276	0.4
436.26508	0.4
519.29346	7.6
520.29810	0.7
521.30920	6.9
522.31720	0.5
586.39880	0.5
701.67023	0.4
799.53339	100.0
800.53729	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	800.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85265	0.1
70.80888	0.2
70.81213	0.1
71.49203	0.1
76.40239	0.1
77.03933	0.2
79.01876	0.1
79.05495	0.8
81.03438	0.1
85.02899	0.1
91.05482	0.7
93.07053	1.7
95.04967	0.3
97.02911	0.1
103.05473	7.9
104.05834	0.2
105.04538	0.1
107.04966	1.7
117.04033	0.1
118.06567	0.2
119.07330	0.2
120.08111	100.0
120.26978	0.1
121.08456	2.9
127.03928	0.2
131.04936	2.5
136.20598	0.1
149.05991	1.9
153.01833	1.9
153.02960	0.2
166.08641	40.4
167.09000	1.3
187.03847	0.1
203.03462	0.2
213.01959	0.2
215.03346	0.2
231.02893	0.8
241.01096	0.1
259.02359	1.0
275.01880	0.1
277.03445	5.0
278.03616	0.3
303.01413	0.8
321.02524	0.2
377.45056	0.1
413.97949	0.1
604.28992	0.1
617.07111	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	800.551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
57.03442	1.2
57.07079	4.3
60.08167	5.5
67.05186	0.6
67.05509	6.9
69.07071	2.9
71.07386	3.0
71.08634	2.7
72.52743	0.4
79.05502	3.6
81.03418	1.0
81.07061	9.0
81.14603	0.4
83.04984	1.2
83.08617	1.5
85.02898	0.6
85.06522	0.7
85.10182	1.8
86.09711	27.7
87.10012	0.5
91.05480	6.5
93.07053	4.2
95.04958	1.3
95.08610	5.2
97.06521	0.8
97.10182	0.9
98.22616	0.7
98.98467	3.3
104.10749	2.1
105.07044	5.2
107.04960	0.5
107.08607	3.8
109.06485	1.0
109.10161	6.5
117.07018	0.9
119.08589	1.3
121.06487	1.1
121.10096	1.0
123.11721	1.5
125.00009	19.0
131.08588	0.9
133.10136	8.4
135.08020	0.6
135.11697	0.7
143.08514	0.6
145.10098	1.2
149.09624	0.8
151.11197	3.3
158.70346	0.5
161.09621	1.1
169.12288	0.8
171.11794	0.7
184.07353	100.0
185.07709	2.8
195.00359	1.2
215.12762	0.8
227.17900	0.6
245.18997	0.7
251.12788	0.6
253.14355	19.0
254.14688	0.8
263.19949	0.7
273.18439	3.9
291.19495	3.6
292.20004	0.6
313.27368	10.6
314.27695	0.8
347.22205	1.0
347.25949	0.5
365.23334	5.0
431.89780	0.5
507.36450	0.5
509.38321	2.6
585.44843	0.7
603.46149	10.0
604.46136	1.6
628.46222	3.1
629.47723	2.2
659.52106	0.5
782.56476	3.1
800.46881	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	800.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.2
57.07082	10.2
61.02927	2.4
65.95591	1.5
67.05238	2.4
67.05515	40.0
69.03441	2.7
69.07076	33.2
71.05000	3.9
71.08637	4.9
77.15563	1.7
79.05502	33.7
81.03454	4.1
81.07066	90.1
82.07401	1.9
83.04992	5.4
83.08631	25.2
85.02917	3.0
85.10233	2.2
86.09702	4.3
87.97421	1.5
91.05486	22.1
93.07050	26.9
95.04987	8.0
95.08617	32.0
97.06545	6.4
97.10177	10.5
99.08138	2.4
105.07047	18.4
106.07354	1.5
107.04980	6.2
107.08578	13.2
109.06521	15.8
109.10166	11.2
111.08105	5.4
111.11777	1.9
117.07011	4.5
119.08590	15.9
121.06564	2.9
121.10143	19.7
123.08096	3.5
123.11732	7.0
125.00029	5.0
125.09624	3.2
129.07051	3.9
131.08598	9.4
133.10149	11.1
134.06091	1.7
135.08116	3.1
135.11707	9.4
143.08586	2.5
145.10150	9.2
147.11696	10.2
149.09660	5.6
149.13315	6.0
151.11206	2.1
157.10124	2.0
159.11731	4.1
163.11176	5.1
165.12767	3.2
167.03511	1.6
173.13399	2.7
175.11281	2.5
183.11821	3.5
184.07375	17.4
187.11311	1.5
219.21132	2.5
237.22131	2.6
247.20621	3.2
257.19034	3.0
267.16110	1.9
269.17593	1.6
273.18744	2.0
275.20087	40.9
276.20413	2.6
293.21149	12.9
311.25818	100.0
312.26154	6.1
313.27408	5.1
349.23746	27.4
367.24759	33.2
368.25031	2.7
375.83011	1.7
411.75217	1.9
444.21518	1.7
474.79089	1.8
481.38925	6.1
505.38629	2.3
539.42596	1.9
585.36627	2.8
585.45251	49.6
585.54694	3.1
586.45313	5.8
603.46234	58.6
604.46472	5.9
629.08362	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	801.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
58.89664	0.5
65.03938	1.7
67.01849	0.6
68.99792	1.7
69.03428	16.4
71.01350	1.4
71.04985	1.8
71.75764	0.5
79.05492	3.4
81.03415	96.8
82.03753	1.6
83.01331	0.8
83.04981	0.5
85.02885	2.6
89.03933	2.1
91.05468	2.8
95.01345	0.9
95.04974	1.0
95.24989	0.7
95.47786	0.5
97.02882	3.5
99.04431	3.6
103.05463	1.6
105.03391	2.3
107.04952	3.3
109.02876	56.9
110.03198	1.2
113.02354	0.6
117.03368	3.6
119.01361	0.5
119.04958	3.6
120.01981	0.6
121.02897	1.4
125.02335	0.9
127.03914	14.0
129.03342	1.2
129.46120	0.5
131.04913	1.8
133.02824	5.8
135.04375	4.4
135.25188	0.6
137.02338	2.7
139.03902	1.1
141.01810	0.7
145.02873	4.1
145.04988	1.1
147.00821	0.8
147.04405	10.3
149.02327	2.1
151.00272	0.6
151.03947	1.3
153.01839	2.5
157.02888	2.8
159.04498	1.7
161.02341	6.9
162.03055	0.6
163.03902	26.1
164.04311	1.0
165.01823	8.9
165.05484	1.3
167.03487	0.8
173.02338	6.9
175.00375	1.2
175.02405	1.0
175.03886	9.7
177.01825	6.2
179.03371	7.4
181.01331	2.3
181.04958	1.0
183.00685	0.5
185.02309	2.8
187.03857	5.6
189.01820	16.9
190.02466	1.5
191.03386	46.2
192.00572	0.6
192.03795	2.1
193.01317	16.3
193.04971	3.0
195.02881	2.1
197.00911	0.9
201.01826	13.6
203.03392	24.9
204.03766	1.3
205.01299	6.4
205.04913	0.9
207.02890	14.6
208.03236	0.8
209.04391	0.8
213.01863	4.9
215.03368	5.3
217.01321	23.7
218.01788	2.9
219.02879	48.3
220.03239	2.1
221.00803	63.0
221.04430	3.6
222.01108	2.8
223.02429	3.0
229.01308	9.4
230.01839	0.7
231.02878	30.5
232.03238	1.6
233.00809	12.7
233.04317	0.6
234.01326	0.7
235.02359	30.1
236.02838	0.5
237.04018	1.4
239.01839	16.7
241.01303	4.9
243.02913	0.7
245.00797	19.4
246.01210	1.5
246.14380	0.5
247.02368	47.5
248.02682	2.0
249.03931	4.8
251.01900	1.0
257.00806	14.8
258.01202	0.7
259.02371	37.1
260.02661	1.9
263.01868	12.0
264.02286	0.8
265.03333	3.1
271.99600	0.9
273.00281	21.6
274.00882	2.0
275.01843	61.2
276.02292	3.6
277.03418	66.6
278.03720	4.1
281.04480	0.6
285.00351	6.8
287.01935	1.2
291.01297	6.2
293.02878	6.8
295.08282	0.6
300.99796	8.7
302.00342	0.8
303.01331	100.0
304.01654	6.9
309.02432	0.9
317.90549	0.6
319.00815	20.2
320.01016	1.4
321.02399	18.5
322.02740	0.6
332.75037	0.5
337.01877	88.0
338.02155	4.9
339.03430	38.3
340.03894	2.2
341.02863	0.5
355.04593	0.8
360.84262	0.5
361.01868	1.1
369.02209	0.6
379.02853	3.2
385.06049	0.6
401.05301	1.2
407.02405	0.9
411.03494	0.8
417.04495	0.6
419.06250	1.3
429.04401	1.2
445.04007	4.5
447.05600	1.8
463.05087	11.4
464.05264	1.1
465.06589	3.4
481.06119	2.2
666.78815	0.6
767.15009	0.6
783.06226	2.1
784.06342	0.7
801.07660	58.3
802.08057	7.3
819.08478	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	801.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
58.21464	0.5
63.02378	0.8
65.03951	1.3
67.01878	0.6
68.14243	0.4
68.99797	1.6
69.03434	13.5
70.51776	0.4
71.01347	1.3
71.04986	1.6
73.02913	0.4
77.03942	1.0
79.01856	0.5
79.05495	2.6
81.03420	100.0
82.03773	1.9
83.01340	0.9
85.02909	2.6
91.05483	2.8
95.01324	1.0
95.04976	0.5
97.02896	3.0
98.03285	0.4
98.23389	0.8
99.04475	4.3
103.05457	2.1
105.03398	1.6
107.04966	3.5
109.02884	54.4
110.03220	1.0
117.03348	3.4
119.01292	0.6
119.04960	2.7
121.02887	1.7
123.00789	0.4
123.04453	0.9
125.02377	1.0
127.03925	14.1
129.03358	1.2
131.04884	1.8
133.02858	5.5
135.04404	4.4
137.02354	3.7
139.03880	0.9
141.01852	0.9
145.02847	3.3
145.04890	0.5
147.04411	11.8
149.02382	1.9
151.00266	0.5
151.03934	2.3
153.01794	2.5
157.02869	3.3
159.04442	1.7
161.02350	6.9
163.03903	25.0
164.04196	0.9
165.01854	8.7
165.05478	1.2
167.03406	0.7
167.70705	0.4
173.02354	5.5
175.00314	0.8
175.03915	10.2
177.01834	6.7
177.05479	1.0
179.03392	7.5
181.01314	1.8
181.04993	1.3
185.02304	2.6
187.03911	3.8
189.01836	12.4
190.02435	1.1
191.03397	41.0
192.03764	1.9
193.01332	14.4
193.04973	3.9
194.01793	0.6
195.02893	2.1
197.00865	0.4
201.01823	11.1
202.02457	0.7
203.03392	25.0
204.03778	1.2
205.01317	6.1
205.04834	0.8
207.02898	14.4
208.03300	1.2
209.00847	0.7
209.04422	0.7
211.02373	0.8
213.01843	3.0
215.03415	3.6
216.99188	0.6
217.01331	21.4
218.01953	2.3
219.02892	49.6
220.03163	2.0
221.00821	64.8
221.04436	4.7
222.01132	2.4
223.02318	3.3
229.01324	7.1
230.01912	1.2
231.02893	28.7
232.03178	1.8
233.00819	12.5
233.04437	0.8
235.02376	30.7
236.02798	1.5
237.03893	1.2
239.01862	16.2
240.02138	0.5
241.01294	3.3
243.02943	0.6
245.00832	18.6
246.01268	1.3
247.02385	43.8
248.02763	2.2
249.03984	4.9
251.01823	0.9
257.00836	11.5
258.01263	1.0
259.02393	32.0
260.02661	2.5
261.03867	0.4
263.01877	10.8
264.02249	0.7
265.03415	3.1
271.99496	0.7
273.00299	19.5
274.00925	2.7
275.01859	59.5
276.02316	4.1
277.03430	59.6
278.03735	3.9
285.00296	5.6
286.00870	0.6
289.03452	0.9
291.01346	5.5
292.01724	0.6
293.02942	7.4
294.03314	0.7
297.03860	0.6
300.99811	7.1
301.03131	0.4
302.00427	1.0
303.01352	86.2
304.01611	6.2
305.02560	0.5
309.02408	0.7
315.01315	0.6
319.00845	19.4
320.01273	1.3
321.02411	15.5
329.03012	0.5
337.01892	75.2
338.02170	3.6
339.03470	35.6
340.03809	2.3
361.02011	0.9
369.02148	0.6
379.02921	1.8
383.03989	0.5
385.05515	1.0
399.03918	0.5
401.04987	0.8
411.03616	0.7
416.86139	0.5
419.06253	1.1
429.04330	1.0
445.04193	4.2
447.05612	1.3
463.05093	8.4
463.10809	0.3
464.05002	0.8
465.06509	3.7
481.06381	1.3
562.65906	0.5
572.01715	0.5
574.33356	0.4
765.04358	0.5
783.06403	1.7
801.07751	46.2
802.07904	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	801.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58953	0.3
69.03445	0.3
71.30206	0.4
71.92554	0.3
81.03425	0.6
90.04333	0.3
97.02885	0.3
106.82561	0.3
109.02887	0.7
110.17743	0.3
117.03397	2.3
127.03889	0.5
136.67278	0.3
145.02841	5.1
149.02159	0.5
149.06052	0.5
175.03651	0.6
177.05467	6.8
178.05853	0.4
199.03777	0.5
287.07523	1.0
300.50739	0.3
343.07861	8.9
344.08240	0.6
379.09836	0.8
537.13629	8.7
538.14282	0.8
555.14807	7.9
556.15131	0.7
741.19885	1.2
801.22034	100.0
802.07404	0.6
802.22437	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	802.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.2
69.03093	0.2
69.03442	2.8
71.01354	0.5
71.04980	0.5
71.32346	0.2
73.02899	0.4
78.89731	0.2
81.03413	2.9
85.02904	1.8
91.05451	0.2
97.02880	0.5
99.04448	0.8
101.02404	0.2
103.05470	1.0
109.02879	2.4
119.04967	0.4
127.03928	2.3
129.03371	0.4
131.04919	0.6
134.10699	0.2
145.04944	0.4
147.04451	1.1
157.02858	0.9
159.04375	0.3
163.03947	0.4
173.02379	0.6
175.03897	2.1
185.02351	1.5
187.03923	4.7
191.03429	0.9
201.01758	1.0
202.02557	0.4
203.03401	3.6
213.01840	4.2
215.03403	4.2
219.02834	0.6
229.01367	1.5
230.01904	0.4
231.02895	19.4
232.03226	0.6
241.01306	3.4
247.02457	2.1
257.00803	1.9
258.01147	0.2
259.02396	32.3
260.02798	1.2
275.01852	3.5
276.02661	1.7
277.03439	100.0
278.03815	3.8
285.00381	1.8
289.03348	1.1
299.02029	0.2
301.03305	0.3
303.01358	36.6
304.01715	1.7
313.03421	0.4
315.01334	1.1
321.02301	1.9
339.05038	0.2
341.02847	0.3
345.02383	0.6
350.37845	0.2
363.03363	0.5
367.04752	0.3
385.05429	0.4
387.03275	1.1
399.03671	0.2
411.03677	0.4
429.04633	0.6
441.78946	0.2
447.05444	1.1
465.06638	2.7
665.05902	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	802.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
69.03438	1.9
70.46922	0.5
71.01329	0.4
71.04961	0.2
73.93513	0.2
81.03419	2.1
85.02895	1.6
91.05471	0.5
97.02920	0.5
99.04449	0.8
101.02376	0.2
101.03897	0.2
103.05447	0.8
109.02877	1.8
119.04924	0.6
122.50378	0.2
127.03925	1.8
129.03395	0.3
131.04906	0.4
145.02904	0.2
145.04968	0.3
147.04391	1.0
157.02875	1.0
159.04373	0.3
163.03908	0.5
168.26593	0.2
173.02301	0.6
175.03909	2.1
185.02370	1.6
187.03926	4.9
189.01836	0.2
191.03406	0.6
201.01804	1.4
202.02568	0.3
203.03394	3.7
205.04912	0.2
213.01840	3.8
215.03387	3.9
217.01277	0.3
219.02869	0.5
225.06021	0.2
229.01350	1.7
230.02048	0.5
231.02895	20.1
232.03258	0.8
241.01292	3.3
247.02412	2.2
257.00858	2.3
259.02390	31.4
260.02811	1.6
275.01849	3.2
276.02585	1.1
277.03433	100.0
278.03775	3.9
285.00302	1.8
287.01669	0.2
289.03534	0.7
297.04041	0.4
302.00760	0.3
303.01355	36.1
304.01678	1.9
313.03400	0.5
315.01602	1.1
315.04953	0.3
321.02374	1.5
328.99185	0.4
341.02994	0.3
345.02484	0.4
355.04562	0.4
357.05991	0.3
363.03427	0.4
367.04660	0.3
383.04083	0.3
385.05557	0.6
387.03406	1.6
411.03506	0.8
429.04413	0.8
447.05484	1.0
465.06747	2.4
483.07834	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	802.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99623	0.2
57.03434	0.3
62.65688	0.2
65.87112	0.2
69.03438	3.3
69.08334	1.4
71.01330	0.4
71.04981	0.4
73.02900	0.3
75.02390	0.2
78.82053	0.2
79.05463	0.2
81.03423	4.5
84.67866	0.2
85.02509	0.1
85.02905	1.5
91.05463	0.3
94.21847	0.2
97.02908	0.9
98.22625	0.4
99.04443	1.2
101.02354	0.2
103.05473	0.9
109.02888	2.9
119.04944	0.4
127.03920	3.1
128.04268	0.2
129.03368	0.4
131.04904	0.6
145.02861	0.4
145.04939	0.4
147.04402	1.2
153.01845	1.0
157.02844	1.2
159.04445	0.3
163.03912	0.4
165.01817	0.2
173.02354	0.6
175.03917	2.4
185.02333	1.4
187.03928	4.6
189.01923	0.2
191.03430	1.2
193.01376	0.3
201.01846	1.5
202.02477	0.3
203.03392	3.6
204.03781	0.3
207.02858	0.3
213.01833	3.5
215.03380	4.0
215.05396	0.3
216.03789	0.3
217.01291	0.4
219.02905	1.0
221.00809	0.8
221.04105	0.2
229.01321	1.7
230.01898	0.5
231.02892	19.4
232.03349	1.0
241.01326	3.8
247.02385	3.2
248.02911	0.3
257.00836	2.3
259.02390	31.4
260.02811	1.5
273.00287	0.3
275.01843	3.8
276.02548	1.4
277.03433	100.0
278.03781	4.8
278.06500	0.2
285.00360	1.9
289.03381	0.8
303.01355	39.3
304.01703	2.7
313.03488	0.4
315.01547	0.8
317.03000	0.2
319.00754	0.2
321.02316	2.9
322.03122	0.2
328.99280	0.4
339.03586	0.5
341.03140	0.3
343.04309	0.3
357.05774	0.2
363.03381	0.7
367.04684	0.3
381.73776	0.2
383.03860	0.2
385.05450	0.7
387.03354	1.0
399.03308	0.3
401.04785	0.2
411.03571	0.4
429.04462	0.7
447.05505	0.8
465.06696	2.2
466.06592	0.2
483.07410	0.5
516.23712	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	802.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
69.03094	0.2
69.03428	3.2
71.04980	0.5
73.02900	0.5
73.03292	0.2
79.05441	0.3
81.03420	5.3
82.03734	0.2
85.02905	1.8
89.19337	0.2
91.05455	0.7
97.02856	0.5
99.04461	1.3
101.02315	0.3
103.05432	0.4
109.02878	3.6
117.03329	0.2
119.04947	0.6
127.03094	0.2
127.03931	4.0
128.04221	0.3
129.03352	0.3
131.04915	0.9
133.02893	0.3
139.03935	0.3
145.02803	0.3
145.04955	0.5
147.04387	1.2
153.01837	2.1
157.02867	1.2
159.04414	0.3
163.03885	1.0
165.01865	0.4
169.42444	0.2
173.02391	0.7
174.02856	0.3
175.03896	1.8
175.27681	0.2
181.01283	0.3
185.02283	1.5
187.03903	3.8
191.03374	1.9
192.03712	0.3
193.01299	0.5
201.01794	1.4
202.02335	0.2
203.03383	4.2
204.03772	0.4
205.01334	0.3
213.01855	3.3
214.02022	0.3
215.03378	3.7
217.01381	0.6
219.02907	2.5
220.03165	0.6
221.00853	2.4
221.04391	0.3
222.80705	0.2
229.01341	1.9
230.02045	0.7
231.02888	18.1
232.03220	0.7
233.00847	0.4
235.02386	0.5
239.01746	0.3
241.01283	3.3
245.00786	0.4
247.02356	4.1
248.02675	0.5
257.00845	2.1
259.02383	28.3
260.02783	1.6
261.03876	0.3
263.01935	0.4
275.01837	5.0
276.02509	2.1
277.03424	100.0
278.03769	5.2
285.00372	1.7
289.03403	0.5
293.03021	0.5
300.99835	0.3
303.01346	38.0
304.01700	3.6
315.01288	1.0
315.04678	0.3
319.00803	0.4
320.01096	0.3
321.02386	2.6
322.02762	0.4
328.99194	0.6
337.01749	0.3
338.02289	0.3
339.03470	1.7
340.03577	0.4
341.03058	0.3
363.03345	0.5
385.05484	0.5
387.03351	1.2
411.03458	0.3
429.04517	0.6
447.05597	1.1
465.06683	2.3
483.07822	0.7
532.03168	0.2
540.67499	0.3
629.55652	0.3
664.66681	0.3
785.08337	0.4
803.09674	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	802.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81805	0.4
77.03928	0.1
77.85204	0.1
79.01848	0.5
79.05486	0.9
81.03433	0.5
81.24108	0.1
85.02905	0.2
91.05457	0.8
93.07038	1.7
95.04972	0.3
97.02893	0.2
98.22628	0.1
98.97576	0.1
103.05470	7.7
104.05802	0.3
105.04514	0.2
105.59357	0.1
107.01327	0.2
107.04960	1.7
109.02898	0.5
118.06544	0.1
120.08105	100.0
121.06557	0.7
121.08443	4.7
125.02316	0.3
127.03952	0.3
131.04918	2.4
138.09109	0.2
143.03372	0.8
149.05980	1.5
153.01826	13.7
153.02898	0.8
154.02142	0.3
158.74840	0.1
159.04582	0.2
166.08636	35.3
167.08984	1.7
171.03079	0.1
183.28786	0.1
215.03398	0.1
221.00731	0.1
231.02826	0.5
247.02402	0.3
259.02292	0.8
260.02725	0.1
275.01837	0.2
277.03452	2.3
278.03748	0.3
279.04959	0.1
297.05865	0.1
300.89212	0.1
303.01343	1.2
304.01559	0.3
374.22601	0.1
444.15787	0.1
449.06851	0.4
542.27966	0.1
619.08923	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	802.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01435	1.5
57.03445	10.9
59.13372	1.7
61.02918	2.4
65.03940	3.5
65.55758	1.6
67.05508	74.0
69.03423	6.9
69.07072	29.9
69.85016	1.8
69.85346	5.8
71.04974	7.7
77.03919	2.5
79.05495	84.9
80.05842	3.7
81.03417	27.1
81.07057	73.8
82.07367	2.2
83.04979	15.2
83.08628	14.5
85.02904	6.6
85.06535	4.0
85.84630	1.5
86.09705	2.3
91.05482	66.2
92.05788	2.0
93.07046	79.9
94.07378	2.8
95.04973	26.0
95.08054	3.2
95.08611	38.0
97.02912	5.1
97.06544	13.9
97.10196	8.5
99.04492	2.2
99.08115	1.9
100.28079	1.5
103.05476	1.7
105.04554	2.1
105.07030	51.7
107.04943	14.2
107.08601	32.3
108.08892	1.5
109.06501	10.4
109.10155	20.9
111.04474	3.8
111.08076	5.0
115.05467	3.0
117.07032	18.5
119.08578	33.7
121.06538	11.0
121.10136	12.2
123.04372	2.2
123.08076	8.1
123.11694	4.9
124.94452	1.8
125.09637	5.5
127.03944	2.4
128.06258	2.4
129.07027	15.0
129.07831	2.5
131.08589	16.2
133.06450	3.8
133.10139	24.1
135.08055	5.0
135.11690	8.0
137.09703	1.6
141.07040	1.8
142.29214	1.5
143.08563	12.6
145.10107	18.3
147.07997	3.5
147.11707	30.0
149.09569	9.8
149.13231	8.8
151.11220	2.8
155.08560	3.5
157.10132	4.9
159.08061	1.6
159.11684	10.5
161.09602	5.3
161.13326	9.1
163.11244	9.8
171.11688	19.3
173.04552	2.9
173.09581	2.8
173.11783	2.8
173.13271	4.2
177.12794	2.7
179.14400	2.3
183.11713	2.6
184.07376	5.8
189.12752	7.0
193.12236	5.1
195.13773	3.5
207.12000	2.4
207.13771	13.9
221.15437	2.0
223.13373	2.9
227.12805	5.1
229.14374	6.8
229.19518	1.7
239.18187	2.0
253.14330	2.8
257.19034	6.2
267.15964	5.5
269.17514	4.1
273.18677	2.7
275.20062	25.8
276.20224	2.2
279.16034	1.9
281.17462	45.7
282.17868	1.8
289.18091	3.5
291.19540	3.7
293.21109	3.0
331.22513	2.7
339.50159	1.8
349.23828	12.2
365.23380	3.2
367.24725	2.7
413.21542	2.8
434.15436	1.9
435.27356	15.2
436.27493	2.1
451.26944	2.0
475.30585	100.0
476.30908	10.9
528.36517	1.9
537.35541	2.0
555.36945	26.6
556.37280	2.4
559.36713	2.5
573.37384	5.0
587.38586	5.7
605.36823	5.8
619.34833	15.0
633.20209	1.8
641.43219	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	802.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.0
57.07079	30.1
67.05508	22.0
69.03431	2.4
69.07071	12.8
69.55379	3.3
69.55766	3.3
71.05006	1.8
71.08634	21.0
71.40034	1.7
73.29321	1.5
79.05495	13.6
81.03400	2.0
81.07067	20.3
83.04981	4.3
83.08625	16.5
85.02923	2.7
85.06569	2.2
85.10180	13.6
86.09691	3.6
89.06022	1.7
91.05483	11.7
93.07047	13.2
95.04966	25.3
95.08608	21.1
97.06534	4.1
97.10168	10.2
98.23394	3.1
99.08091	1.7
105.07031	12.0
107.04974	4.8
107.08598	14.9
109.06502	3.5
109.10164	9.8
111.04428	4.7
111.08048	2.6
117.07024	4.1
119.08581	10.8
121.06533	2.3
121.10152	7.3
123.08083	3.9
123.11704	4.5
125.09636	6.5
131.08522	4.9
133.10123	5.1
135.11696	3.9
137.09648	1.8
145.10118	9.6
147.08078	1.7
147.11681	5.2
149.09668	9.4
151.11128	1.7
159.11729	4.3
161.13246	1.9
163.11198	9.6
165.12709	1.6
169.10037	1.7
171.11673	1.8
173.13318	1.8
177.12805	1.7
184.07359	10.5
189.11270	4.6
223.13300	17.8
227.12810	5.7
239.23808	1.7
247.20674	1.7
257.18863	3.9
275.20068	30.7
276.20233	2.0
293.21124	15.0
313.27371	100.0
314.27795	4.2
349.23807	12.0
356.39978	1.8
367.24847	24.9
544.17200	1.8
587.46680	20.2
588.47168	2.4
605.47736	59.0
606.48236	7.7
802.46759	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	802.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90928	13.1
57.07071	50.6
59.52194	14.6
67.05504	51.0
69.07066	33.6
71.08643	40.4
71.30061	14.1
71.30403	15.4
79.05491	27.8
81.07062	100.0
83.08600	30.2
85.10177	27.1
86.09696	33.2
91.05503	32.2
93.07058	25.3
93.20862	12.1
95.04942	13.2
95.08614	59.7
101.62596	15.0
105.07031	32.1
107.08605	20.6
109.06539	34.4
109.10221	28.7
118.23425	12.1
119.08601	22.6
123.11646	18.7
131.08574	13.7
133.10143	29.0
139.09120	12.1
159.11710	17.3
180.41049	13.2
184.07379	43.0
261.39941	13.5
268.51587	13.4
275.20053	44.7
293.21222	15.8
313.27380	95.3
329.03027	13.6
349.23764	35.7
367.24713	42.6
587.46375	40.3
595.01111	15.6
605.47931	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	13.9
57.07080	48.3
67.05507	47.5
69.07060	18.2
71.08627	27.9
71.30416	10.8
79.05495	42.2
81.07059	72.6
83.08626	14.3
85.02909	9.8
85.10179	20.4
86.09718	20.8
91.05477	30.0
93.06508	8.4
93.07018	38.3
95.04962	13.9
95.08602	45.4
97.10229	7.9
105.07033	29.7
107.08607	25.8
109.06502	9.4
109.10151	13.6
117.07053	11.1
119.08587	9.3
121.10118	16.1
125.00023	13.0
131.08568	18.7
133.10115	21.3
135.11546	8.8
137.09579	8.6
145.10124	10.4
147.11716	9.9
149.13235	10.3
159.11652	12.4
171.11440	9.0
173.20027	7.1
184.07327	80.1
184.20117	7.3
255.15723	14.9
257.18893	10.1
269.15060	7.9
269.17484	41.3
275.20004	22.6
293.34296	8.2
313.27298	90.6
349.23688	25.7
493.39105	14.0
507.40393	100.0
587.46588	22.8
605.47546	10.6
656.89191	9.1
781.56018	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	803.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.6
69.03436	0.8
70.61055	1.7
81.92314	0.6
84.73261	0.7
126.45935	0.8
153.01839	5.1
159.63783	0.7
163.04396	0.6
185.04192	1.0
187.03952	0.7
189.05228	4.0
213.01825	0.9
215.03421	1.2
231.00957	0.7
231.02861	3.9
232.03249	1.6
235.06010	0.6
250.08092	6.4
251.08923	7.2
252.09288	0.7
252.45102	0.6
259.02432	6.7
260.02744	2.4
275.91553	0.7
276.02197	0.9
277.03424	17.4
277.06207	1.2
278.03836	8.9
303.01343	6.5
304.01703	3.7
413.14185	100.0
414.14514	6.7
748.51337	1.0
796.83307	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	803.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.74935	0.9
61.02936	1.1
65.03950	0.8
67.05508	5.4
69.03429	3.4
69.76585	3.9
73.02901	1.3
79.05479	3.7
81.03418	3.9
81.07042	2.5
83.04981	1.2
83.08607	1.8
85.02906	3.9
91.05487	3.1
91.77133	0.9
91.83058	0.8
93.07047	3.3
94.06579	4.4
95.04967	2.3
95.07351	2.4
95.08604	1.2
96.08138	6.2
97.02911	2.9
98.23289	1.5
99.04559	0.9
101.02360	1.3
103.60734	0.9
105.07022	2.6
107.05029	1.1
108.04528	1.1
108.08125	6.6
109.02930	1.3
109.10165	1.7
110.09691	8.6
110.75336	0.8
115.66648	1.0
117.07065	1.0
119.28701	0.9
120.08105	6.2
121.06541	1.1
122.06034	7.5
122.09662	1.5
133.10135	1.5
135.08023	1.3
136.07614	7.1
136.08473	1.3
138.09129	10.8
146.06067	0.9
148.07574	3.8
148.36488	1.0
150.09059	1.4
153.01822	1.3
166.08640	11.3
193.12341	1.1
211.08586	2.2
221.10800	1.6
227.12653	1.1
235.08733	1.2
247.08794	2.3
249.10277	15.4
250.10820	1.8
251.11665	1.5
261.10489	2.2
263.11755	3.0
265.09622	1.9
275.08319	1.3
277.03418	2.2
277.09744	9.4
279.11115	1.1
283.14993	1.2
291.11267	1.8
293.09314	1.5
303.01471	1.2
303.75745	0.9
309.12415	6.7
313.12338	1.0
321.08652	1.2
322.13303	1.6
323.14163	1.5
325.11877	1.2
326.13120	1.7
327.13818	1.3
337.16150	1.6
340.10861	1.7
340.14493	3.3
341.11508	1.4
341.15350	2.0
342.12326	3.2
342.16052	2.4
343.13248	1.7
353.11676	1.2
354.12491	7.1
355.13095	5.6
356.13812	4.2
356.17590	1.6
357.14447	1.2
364.14432	4.0
365.15411	1.2
366.12140	2.1
366.16202	2.5
367.13596	3.0
368.10156	1.7
368.13953	10.2
369.14688	7.6
370.15417	4.3
379.13129	1.4
380.14105	3.0
382.11154	5.4
382.15945	7.4
383.11923	1.9
383.16199	3.6
384.17352	8.7
385.14310	1.6
392.13910	3.8
394.15738	2.3
395.12778	1.1
396.13446	8.1
397.14008	3.5
398.18857	10.7
400.16672	1.3
401.16592	1.1
408.13495	1.4
410.15118	7.3
411.16083	1.6
412.16534	8.9
413.13794	1.8
414.14496	2.9
415.15079	1.9
420.13562	2.4
426.14352	4.0
427.14706	1.4
428.16052	6.7
429.16586	2.1
438.14468	25.9
439.14792	2.9
442.17694	3.3
444.19995	6.3
452.15625	1.5
456.15613	41.1
457.15771	4.9
458.17163	9.5
461.29306	1.3
470.17151	2.6
476.18161	35.6
477.18405	3.7
488.18170	23.4
489.19122	2.1
563.22748	1.5
591.22559	7.3
595.25208	3.6
609.23395	25.4
610.23492	3.2
623.24963	22.5
624.24988	3.6
641.26099	100.0
642.26306	17.1
674.29791	0.9
771.28558	1.2
803.31116	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	803.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.74935	0.9
61.02936	1.1
65.03950	0.8
67.05508	5.4
69.03429	3.4
69.76585	3.9
73.02901	1.3
79.05479	3.7
81.03418	3.9
81.07042	2.5
83.04981	1.2
83.08607	1.8
85.02906	3.9
91.05487	3.1
91.77133	0.9
91.83058	0.8
93.07047	3.3
94.06579	4.4
95.04967	2.3
95.07351	2.4
95.08604	1.2
96.08138	6.2
97.02911	2.9
98.23289	1.5
99.04559	0.9
101.02360	1.3
103.60734	0.9
105.07022	2.6
107.05029	1.1
108.04528	1.1
108.08125	6.6
109.02930	1.3
109.10165	1.7
110.09691	8.6
110.75336	0.8
115.66648	1.0
117.07065	1.0
119.28701	0.9
120.08105	6.2
121.06541	1.1
122.06034	7.5
122.09662	1.5
133.10135	1.5
135.08023	1.3
136.07614	7.1
136.08473	1.3
138.09129	10.8
146.06067	0.9
148.07574	3.8
148.36488	1.0
150.09059	1.4
153.01822	1.3
166.08640	11.3
193.12341	1.1
211.08586	2.2
221.10800	1.6
227.12653	1.1
235.08733	1.2
247.08794	2.3
249.10277	15.4
250.10820	1.8
251.11665	1.5
261.10489	2.2
263.11755	3.0
265.09622	1.9
275.08319	1.3
277.03418	2.2
277.09744	9.4
279.11115	1.1
283.14993	1.2
291.11267	1.8
293.09314	1.5
303.01471	1.2
303.75745	0.9
309.12415	6.7
313.12338	1.0
321.08652	1.2
322.13303	1.6
323.14163	1.5
325.11877	1.2
326.13120	1.7
327.13818	1.3
337.16150	1.6
340.10861	1.7
340.14493	3.3
341.11508	1.4
341.15350	2.0
342.12326	3.2
342.16052	2.4
343.13248	1.7
353.11676	1.2
354.12491	7.1
355.13095	5.6
356.13812	4.2
356.17590	1.6
357.14447	1.2
364.14432	4.0
365.15411	1.2
366.12140	2.1
366.16202	2.5
367.13596	3.0
368.10156	1.7
368.13953	10.2
369.14688	7.6
370.15417	4.3
379.13129	1.4
380.14105	3.0
382.11154	5.4
382.15945	7.4
383.11923	1.9
383.16199	3.6
384.17352	8.7
385.14310	1.6
392.13910	3.8
394.15738	2.3
395.12778	1.1
396.13446	8.1
397.14008	3.5
398.18857	10.7
400.16672	1.3
401.16592	1.1
408.13495	1.4
410.15118	7.3
411.16083	1.6
412.16534	8.9
413.13794	1.8
414.14496	2.9
415.15079	1.9
420.13562	2.4
426.14352	4.0
427.14706	1.4
428.16052	6.7
429.16586	2.1
438.14468	25.9
439.14792	2.9
442.17694	3.3
444.19995	6.3
452.15625	1.5
456.15613	41.1
457.15771	4.9
458.17163	9.5
461.29306	1.3
470.17151	2.6
476.18161	35.6
477.18405	3.7
488.18170	23.4
489.19122	2.1
563.22748	1.5
591.22559	7.3
595.25208	3.6
609.23395	25.4
610.23492	3.2
623.24963	22.5
624.24988	3.6
641.26099	100.0
642.26306	17.1
674.29791	0.9
771.28558	1.2
803.31116	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	803.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11839	6.2
71.30024	7.4
90.24105	5.8
91.05470	30.5
93.07069	15.7
94.04211	6.9
95.04958	9.4
103.05490	12.2
105.07055	11.4
107.04976	6.0
114.92569	6.4
115.05487	9.6
119.04951	18.9
121.06525	73.4
124.69821	5.3
131.04965	6.0
131.16768	5.3
133.06508	12.7
137.05992	80.3
143.05013	7.8
147.04466	10.7
149.06036	6.4
151.03951	9.7
158.58986	7.1
160.05283	11.2
161.06027	25.6
164.07059	13.3
165.07022	10.5
173.06042	16.1
175.04134	6.0
175.07573	7.3
177.05533	7.9
181.05023	8.8
188.04756	7.6
189.05510	16.5
201.05489	100.0
202.06013	8.4
203.07077	14.0
205.06566	6.7
207.06569	10.0
213.05537	24.8
219.06465	7.8
221.06088	19.7
225.09128	6.4
231.06476	16.3
247.07596	9.6
251.07083	16.1
252.07886	6.6
253.08658	9.3
257.06006	7.3
263.07092	15.2
264.07758	6.9
265.08765	8.3
268.07214	8.1
269.08224	19.6
274.06287	8.2
275.07208	9.1
276.07800	6.8
277.08627	8.8
279.06805	11.3
283.09662	27.7
284.10632	11.6
285.11295	27.6
287.07004	6.6
289.08749	12.6
290.09567	7.6
293.08148	10.9
294.05405	6.3
301.08688	6.7
303.06628	9.7
304.07352	16.6
305.07895	13.0
306.05341	7.2
307.06262	7.5
309.07690	13.7
311.09213	16.2
317.08145	17.1
319.09436	9.3
321.07645	35.2
323.09097	10.1
324.09848	12.6
335.09241	18.6
336.09943	76.5
337.10437	7.1
347.09259	10.9
349.11011	10.5
351.08655	16.6
356.14624	7.5
411.98282	6.8
425.13794	14.0
449.20129	6.6
453.13425	19.1
457.12753	61.7
458.13409	8.6
469.12912	22.9
473.16061	49.8
485.15958	85.3
486.16385	7.6
499.13980	74.3
500.14032	10.5
503.16925	47.0
511.13901	47.4
529.14905	17.4
610.24030	33.9
640.25006	29.0
666.23016	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	803.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.1
65.03958	2.3
79.05496	3.7
81.03415	5.4
91.05487	37.0
93.07063	19.2
94.04196	4.0
95.05005	7.2
103.05476	24.4
105.04549	4.2
105.07043	3.2
107.04958	11.4
112.70338	2.3
115.05455	4.2
117.03372	4.1
117.07073	2.4
119.04965	22.1
120.05746	6.3
121.06515	100.0
122.03720	7.4
122.06928	2.3
123.04489	3.7
131.04958	8.3
133.02876	17.0
133.06526	2.6
134.06050	3.8
135.04478	4.6
136.07631	10.2
137.05981	89.3
138.09190	4.2
143.05096	2.7
145.02898	9.2
145.06526	4.6
146.03758	3.2
147.04431	28.9
149.05972	12.9
150.06799	3.2
151.04004	5.9
151.07602	2.6
153.05547	2.7
159.04443	5.2
160.05255	3.9
161.05946	14.8
163.03926	5.2
164.07155	10.6
165.07076	2.7
167.07088	10.5
169.02574	2.7
173.06099	4.0
174.06876	3.3
175.04019	9.7
175.07587	5.8
176.04709	2.4
177.05519	19.3
179.07103	3.7
181.05038	7.5
181.06532	2.5
187.03801	9.9
187.07516	2.5
189.05435	3.2
189.06946	3.0
191.07170	4.6
192.06685	2.8
201.05482	24.6
203.07095	3.0
205.06662	3.6
205.08568	2.3
207.08163	5.1
219.08139	4.4
221.06110	4.2
221.80829	2.3
222.06772	4.8
225.05568	3.3
225.09253	3.5
233.06088	3.4
234.06781	4.6
235.07593	9.7
236.08199	2.8
237.09161	3.2
247.07614	3.6
249.05455	4.0
249.09190	4.2
250.06303	3.4
252.07834	4.0
258.06805	4.5
258.70135	2.5
261.09180	2.8
262.06369	3.3
263.06900	12.7
265.05576	3.3
265.08716	8.3
267.10141	4.9
275.07111	4.0
276.08057	2.8
277.08752	4.8
278.05719	4.7
278.09204	2.9
281.07944	2.9
286.06586	2.4
287.07236	3.0
291.06583	3.8
292.07318	5.8
293.07886	4.8
295.09662	4.5
297.11389	6.5
298.12003	5.6
301.08731	6.7
305.08176	2.8
306.08865	3.8
307.09714	9.4
308.06821	19.5
308.09937	3.8
309.07858	2.3
309.11252	4.9
311.09308	4.0
312.12201	3.9
313.06964	5.4
315.06528	4.8
316.07217	5.6
317.07220	4.5
318.08588	3.2
319.06131	3.4
319.09714	5.5
321.07703	2.6
321.11325	8.1
323.09250	9.4
324.09967	2.6
325.10641	9.1
328.12982	4.4
332.06863	7.2
333.07770	3.2
333.11115	11.5
335.09384	5.7
347.09143	13.2
349.07117	3.1
349.10876	13.6
351.08490	14.8
361.10776	15.6
375.08829	6.9
377.10123	3.0
379.11716	4.6
392.10294	2.7
411.12051	2.7
417.15485	3.5
460.17474	6.3
468.12457	2.5
469.13177	3.2
470.15829	7.3
472.17535	3.5
473.15631	4.7
483.14496	5.7
485.15979	3.3
486.15442	9.2
488.16898	13.9
499.13907	6.3
512.16949	6.7
517.19916	2.8
524.17035	4.8
529.14557	2.8
549.77692	3.0
610.24219	3.4
623.23895	6.8
636.22198	13.3
637.22345	3.3
638.23804	23.5
639.23901	3.2
640.24768	5.5
641.16199	43.2
642.16943	4.9
666.23370	38.8
667.24219	3.7
773.30475	4.7
803.21375	44.3
803.35425	4.4
804.21796	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	803.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63989	0.9
57.03433	2.0
57.07088	1.0
61.02927	1.5
65.03937	2.1
67.05508	17.8
69.03435	1.3
69.07069	6.4
71.04996	1.7
79.05495	40.8
81.03424	6.1
81.07061	100.0
81.51338	0.9
82.07388	1.3
83.04977	2.2
83.08628	9.0
85.02911	1.3
85.06555	1.1
86.09716	1.5
91.05495	12.9
93.07056	14.7
95.04987	4.1
95.08608	11.7
97.06508	4.4
97.10165	1.9
105.04520	0.9
105.07042	12.8
107.04982	2.8
107.08604	9.1
109.06525	65.3
109.10162	5.1
110.06847	1.3
111.08154	1.1
117.07039	4.3
119.08579	9.2
121.06494	0.9
121.10136	6.3
123.08085	1.4
123.11716	1.1
125.09654	0.8
128.06242	1.8
129.07011	3.5
131.08568	8.0
133.06488	1.5
133.10133	7.1
135.08104	1.3
135.11717	2.8
137.09625	1.2
141.06996	1.4
143.08568	4.1
145.10138	6.7
147.11713	3.8
149.09645	3.3
149.13266	2.7
155.08553	2.0
157.10155	3.0
159.11708	3.6
161.09648	1.5
161.13336	1.3
163.11227	1.5
169.10184	2.5
171.11626	1.5
173.09589	1.5
173.13315	2.3
175.11194	1.5
184.07385	4.8
185.09575	1.3
185.13281	2.3
189.12740	1.0
193.10274	1.1
193.12306	0.9
195.11684	1.2
195.74066	0.9
197.13383	1.6
199.14850	2.2
201.12663	1.1
209.13411	1.2
211.14799	1.3
217.16103	0.9
219.17577	1.7
221.15349	0.9
229.19604	1.1
257.19025	1.4
273.18634	1.0
275.20020	11.4
287.91913	0.9
289.21347	0.9
315.23175	2.3
335.25845	2.9
349.23755	4.8
355.22403	0.9
368.89349	0.9
389.27075	1.6
421.30563	1.0
439.31766	2.3
457.33807	1.4
497.36157	4.5
499.34610	2.0
513.35748	8.8
517.35162	6.9
518.35358	1.3
531.37146	2.2
549.39355	1.4
605.41846	2.2
623.43048	29.7
624.43146	3.6
641.43951	6.8
803.45819	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	804.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	1.8
71.30013	0.4
79.01862	3.9
79.05524	0.4
80.05009	0.4
81.03420	9.9
82.03752	0.8
85.02902	0.5
91.05501	0.6
95.01302	0.4
97.02911	2.3
99.04482	0.8
103.05492	1.2
107.01321	0.6
108.04472	2.5
108.10147	0.3
109.02882	6.8
110.03230	0.8
119.04965	1.0
125.02354	1.3
127.03930	4.1
129.03395	0.6
131.04941	0.8
135.04445	0.4
143.03403	3.8
147.04428	1.7
153.01836	65.7
153.02905	3.6
154.02197	2.8
157.02832	1.2
163.03920	1.5
165.01888	0.9
171.02902	3.6
173.02437	0.5
175.03963	2.5
177.01831	0.5
179.03293	0.5
185.02370	1.5
187.03885	5.0
188.04262	0.4
191.03415	4.2
192.03790	1.3
193.01413	1.6
193.05014	0.7
194.01659	0.7
201.01811	0.7
202.02025	0.4
203.03423	4.5
203.05176	0.7
204.03671	0.4
205.01349	0.4
205.04985	0.7
206.01823	0.5
207.02997	0.8
213.01869	4.0
215.03389	3.8
219.02870	4.7
220.03273	1.4
221.00839	6.9
221.04356	0.4
222.01152	2.4
229.01251	0.7
231.02901	21.3
232.03192	1.9
233.00810	1.2
233.04460	0.9
234.01227	0.4
239.01895	1.2
240.02235	0.8
241.01315	3.1
247.02368	3.0
248.02861	1.1
257.00784	1.1
259.02386	34.4
260.02701	2.7
261.04025	0.7
275.01865	5.6
276.02316	3.1
277.03436	100.0
278.03784	5.5
279.04990	0.6
285.00232	0.7
289.03552	0.4
289.17902	0.4
293.02759	0.6
294.03336	0.4
297.06076	4.8
303.01361	10.8
304.01648	1.9
315.01462	0.6
315.07053	0.4
321.02399	3.7
322.02847	0.8
331.00641	0.4
337.02075	0.6
339.03366	3.7
340.03693	2.6
355.04410	3.0
399.03433	3.2
429.04340	1.1
447.05554	1.3
449.07040	0.4
459.57993	0.4
466.07022	0.9
467.08124	0.7
617.07825	0.4
636.60449	0.3
728.96295	0.4
804.09747	4.3
805.09802	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	804.125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03104	0.3
69.03429	1.7
70.06573	0.2
71.34338	0.4
79.01852	6.6
81.03416	2.1
85.02914	0.3
87.00848	0.2
91.05505	0.6
97.02905	2.0
99.04469	0.6
102.16898	0.2
103.05469	0.4
106.79056	0.2
107.01334	1.6
109.02888	1.6
119.04959	0.4
123.00782	0.4
125.02348	3.6
127.03921	3.4
131.04938	0.9
139.03935	0.2
143.03391	7.9
145.04916	0.4
147.04388	0.6
153.01831	100.0
153.02902	6.3
154.02151	2.3
154.03267	0.3
157.02892	0.8
159.04404	0.6
161.06015	0.2
163.03906	0.9
164.40962	0.3
171.02911	1.1
173.02330	0.4
175.03914	1.4
179.03432	0.5
181.01370	0.3
185.02385	0.8
187.03912	3.0
189.05481	0.5
191.03386	2.0
193.04953	0.3
195.02870	0.3
201.01884	0.6
203.03397	2.3
205.04970	0.8
207.02927	0.5
209.04463	0.3
213.01859	1.9
215.03371	3.0
219.02863	0.8
221.04567	0.3
229.01299	0.7
230.01958	0.3
231.02892	12.9
232.03339	0.6
233.04527	1.4
237.03954	2.7
241.01297	2.6
247.02431	1.0
257.00882	0.6
259.02390	21.5
260.02777	1.4
261.03958	2.1
267.04901	0.2
273.87253	0.2
275.01819	1.6
276.02710	0.6
277.03427	83.9
278.03796	4.5
279.05038	1.3
285.00363	0.6
297.06107	3.4
303.01355	15.0
304.01663	0.8
315.07101	0.5
321.02328	1.5
323.12796	0.2
363.03436	0.7
429.04398	0.4
449.06833	0.5
467.08350	1.0
617.07782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01846	2.0
57.03447	13.7
59.05000	6.5
59.97039	2.2
60.11417	2.1
61.02941	2.8
65.03938	3.2
67.05510	54.7
68.01474	2.1
68.12830	2.4
68.99809	2.5
69.03438	10.2
69.07069	16.3
70.84427	4.7
71.05009	3.8
71.86671	2.2
79.05502	50.7
79.69833	2.2
81.03426	18.8
81.07062	84.8
82.07392	2.5
83.04975	18.7
83.08618	26.6
85.02921	8.0
85.06557	2.9
91.05486	50.5
93.07047	43.1
95.04982	20.8
95.08615	22.9
97.02922	8.0
97.06546	10.8
97.10168	28.1
99.00804	17.5
99.04448	4.3
99.08085	3.7
103.05514	3.0
103.45455	2.4
105.07043	40.8
107.04961	17.1
107.08607	30.7
109.02907	11.0
109.06514	15.2
109.10175	15.0
111.04433	15.3
111.08090	10.3
115.03958	3.3
117.07030	16.8
119.08598	34.0
121.06512	16.6
121.10136	13.9
123.04407	3.2
123.08070	21.7
123.11741	4.6
125.09627	25.2
127.03852	3.0
129.07007	7.0
130.07907	2.7
131.08577	16.5
133.06541	7.7
133.10146	41.3
135.08084	9.6
135.11739	8.1
137.05995	4.0
137.09659	8.5
139.11157	3.2
143.08592	9.9
145.06500	4.8
145.10158	14.7
147.08061	8.6
147.11737	9.4
149.09639	6.6
151.11200	11.0
153.01834	5.8
153.09138	4.3
153.12772	5.8
157.10139	11.1
159.08072	4.5
159.11732	2.8
161.09602	23.1
163.11211	22.3
165.09192	4.0
171.08134	3.7
171.10243	3.1
171.11734	5.7
173.09679	5.8
175.11256	6.5
179.10716	6.3
181.12256	8.3
189.09178	8.0
189.11250	15.9
191.10670	5.8
193.12280	6.0
197.11699	5.2
200.18468	2.5
209.11536	2.8
211.13336	4.9
223.13385	4.7
225.11241	13.3
227.12746	24.0
245.19066	6.7
267.15955	5.9
273.18521	48.0
277.03461	3.3
281.13882	4.1
283.15643	5.0
285.17001	4.9
291.19556	83.1
292.19891	5.3
299.14902	100.0
300.15372	6.0
309.20682	11.8
347.22220	14.0
365.23251	42.8
366.23758	3.9
377.61044	2.4
383.24176	17.3
427.21234	2.8
469.24146	2.8
525.26855	3.9
557.34937	4.0
571.33136	11.4
589.33679	53.8
590.34052	7.1
607.34900	38.5
608.34827	5.4
708.43073	2.5
738.66125	3.1
804.40729	3.0
805.38300	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	804.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	7.8
62.55968	5.6
62.79208	5.4
67.05502	79.7
69.03438	6.9
71.30673	6.2
79.05502	49.5
81.03421	88.6
81.07055	68.8
83.05004	14.0
83.08632	27.0
91.05487	80.1
91.21868	5.7
93.07048	34.0
95.04997	35.6
95.08610	24.1
97.10227	6.8
105.07044	58.2
107.04972	16.7
107.08592	45.4
109.06526	6.0
109.10158	43.8
117.07076	7.2
119.08598	17.7
121.10112	9.2
123.08122	9.3
129.07057	12.7
131.08578	16.6
133.10153	64.6
135.08083	11.2
145.10153	8.2
151.11192	24.1
157.10123	12.8
161.09575	9.9
169.12334	6.9
173.13416	6.2
175.11153	7.8
193.12187	28.8
215.73866	6.6
237.28104	6.6
253.14343	100.0
254.14778	6.8
267.15939	71.3
273.18518	19.9
287.19937	8.2
291.19467	17.4
310.83875	5.2
312.58224	7.0
365.23276	30.2
372.07166	6.8
445.26022	22.9
455.10727	6.6
463.26920	27.7
539.33649	20.2
557.34760	83.8
773.06891	6.6
807.07233	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	804.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.0
58.06145	1.7
64.20741	1.7
65.03938	3.5
67.05177	3.0
67.05509	35.6
67.29955	1.6
69.03425	9.9
69.07072	21.4
69.75730	6.8
70.23128	2.0
71.05000	3.8
79.05492	30.2
81.03420	66.9
81.07063	35.5
83.04993	9.2
83.08627	16.7
85.06542	2.1
85.15202	2.0
86.09705	2.7
91.05481	35.2
93.07045	24.9
94.50713	1.6
95.04976	25.5
95.08607	14.8
97.02898	12.0
97.06526	5.5
97.10162	12.3
98.97594	4.5
105.07041	22.7
107.04966	11.9
107.08595	18.1
109.06539	5.6
109.10150	12.7
111.04429	3.5
111.08120	5.3
116.98637	2.3
117.07023	8.1
119.08597	18.8
121.06530	5.0
121.10175	7.9
123.08095	3.0
123.11704	2.0
125.09619	9.9
129.07007	10.7
130.07748	1.8
131.00195	2.3
131.08578	12.9
133.06499	7.7
133.10141	17.1
135.08072	6.4
135.11690	2.7
137.09619	2.7
142.07698	2.3
143.08571	4.9
145.06522	2.0
145.10164	6.2
147.08081	7.7
147.11696	8.6
149.01236	3.2
149.02353	5.8
149.09650	4.5
151.11217	4.9
153.09062	2.7
157.10155	11.1
158.99745	1.8
159.11743	1.9
161.09694	2.8
163.11195	3.9
169.12183	1.7
170.99696	2.5
171.11717	2.5
175.11243	7.3
177.00847	1.7
177.12810	2.3
184.07430	5.7
185.13405	1.8
189.00674	2.9
189.11176	4.4
193.04964	6.1
193.12305	13.3
205.12219	1.8
219.13751	4.0
223.13312	16.8
227.12843	10.0
249.14842	3.2
253.14357	10.5
267.15930	73.8
268.16422	2.5
273.18478	11.4
291.19553	73.5
292.19910	4.1
293.05716	2.1
313.21677	3.4
321.04913	6.8
365.23254	48.9
366.23450	3.8
445.25848	5.4
455.10846	3.1
459.27390	4.3
477.28488	3.7
539.33362	7.3
557.34747	100.0
558.35156	11.6
575.35516	2.8
715.32166	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	804.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21029	1.1
57.03442	7.5
57.07081	2.4
59.04992	1.4
63.43016	0.9
65.03940	3.0
67.05504	54.3
69.03419	4.2
69.07067	13.1
71.04993	35.4
77.03900	1.0
79.05494	31.2
80.05827	1.2
81.03417	5.5
81.07056	100.0
82.07379	2.4
83.04969	4.4
83.08622	9.9
85.02904	2.2
85.06535	7.1
87.04455	1.1
89.41105	1.1
91.05482	34.2
92.05802	1.8
93.06463	2.0
93.07043	27.2
94.07361	1.3
95.04967	7.6
95.08052	1.7
95.08612	21.8
97.02895	3.1
97.06525	8.0
97.10150	2.9
99.04490	1.3
99.08092	3.5
103.05486	1.4
105.07033	26.6
107.04977	5.2
107.08599	22.4
109.02872	1.2
109.06521	15.1
109.10162	11.3
111.04445	5.1
111.08082	4.3
113.09660	1.6
117.07042	7.5
118.10783	1.0
119.08587	14.8
121.06499	4.8
121.10155	11.4
123.08060	5.1
123.11698	13.0
125.09625	3.1
129.07050	2.6
131.08572	11.8
133.06560	1.1
133.10130	19.5
135.08055	3.2
135.11668	7.6
137.09625	2.8
139.11176	1.2
143.08524	2.2
145.10143	8.8
147.11678	10.4
149.09641	3.6
149.13263	6.8
150.13670	1.1
151.11215	7.4
157.10132	2.3
159.11653	6.4
161.09589	1.7
161.13252	3.0
163.11194	3.0
165.12737	2.5
169.10081	2.0
171.11673	2.1
173.13260	3.1
175.11217	1.7
177.12721	2.0
183.11543	1.3
183.13884	2.1
187.11258	1.5
187.13248	2.6
195.13832	1.5
197.13405	1.0
201.14786	1.6
205.15787	1.1
225.14807	8.8
229.19521	1.3
230.83626	1.2
243.11392	1.0
247.20547	1.8
251.16365	1.7
257.17245	2.0
269.17432	6.7
275.20074	24.2
276.20474	1.9
293.21310	1.2
301.16629	1.7
301.20102	35.2
302.20529	2.3
307.22672	7.9
349.23801	9.6
350.23999	1.9
381.26343	14.4
424.01605	1.1
517.35217	19.8
518.35449	2.1
531.36566	3.0
543.36871	19.6
544.36719	1.7
549.37830	60.3
550.38416	7.9
563.39209	10.5
564.39801	1.4
575.39410	45.0
576.39471	6.2
593.40051	3.7
607.33344	1.7
607.42102	28.3
608.42346	4.3
805.40063	1.9
837.35162	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	804.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	11.2
57.07087	2.6
59.05016	2.1
65.03939	3.2
67.05508	71.4
68.05843	2.2
69.03433	5.2
69.07072	20.3
70.42699	2.4
71.04999	31.5
71.08632	1.6
73.02870	1.4
73.06557	1.5
77.03959	1.5
79.05499	42.9
80.05840	2.6
81.03420	10.3
81.07059	100.0
82.07403	3.3
83.04986	10.4
83.08624	24.7
85.02923	3.6
85.06548	8.4
91.05486	50.5
92.05816	2.2
92.86208	1.0
93.07047	45.6
93.90876	1.0
94.07380	1.9
95.04977	26.2
95.08046	2.2
95.08614	29.9
96.05298	1.6
96.08951	1.8
97.02898	4.1
97.06532	13.7
97.10168	6.0
99.04441	1.8
99.08110	2.5
105.04513	2.5
105.07036	37.7
106.07387	1.9
107.04956	15.5
107.08597	30.0
108.08910	2.0
109.02906	1.6
109.06532	12.8
109.10158	18.2
110.06831	1.2
110.10495	1.4
111.04449	2.3
111.08072	8.3
113.09687	1.6
115.05448	2.2
117.07023	13.2
118.07417	1.5
119.08586	22.8
120.08929	1.2
121.06517	6.8
121.10150	16.0
123.08088	6.1
123.11717	12.5
125.09628	4.5
127.03919	1.8
127.07592	1.3
129.07031	4.4
131.08566	19.0
132.08905	2.0
133.06532	2.0
133.10136	28.2
135.08070	4.6
135.11711	8.6
136.08401	1.0
137.09631	4.3
139.11098	1.6
141.06929	1.6
143.08574	4.3
145.06462	1.2
145.10136	18.1
147.08058	3.8
147.11665	12.7
148.12013	2.2
149.09608	15.4
149.13280	7.1
150.09985	1.1
150.13611	1.1
151.11230	7.9
153.12700	1.1
155.08537	2.6
157.10146	5.1
159.08067	1.3
159.11687	13.0
160.12297	1.1
161.09610	2.6
161.13264	3.2
163.11166	16.5
165.12776	5.6
169.10143	2.0
171.11717	4.3
173.09633	2.3
173.11925	1.6
173.13310	4.6
175.11214	2.5
175.14850	1.4
177.12796	5.4
179.14317	2.4
183.11693	2.9
183.13832	2.1
184.07388	2.5
185.13226	1.6
187.11307	2.7
187.13324	2.9
189.11189	1.5
189.12791	1.9
193.12263	3.1
195.13828	1.8
197.13277	2.4
199.14948	1.2
205.12189	2.0
207.13736	1.5
219.17189	1.1
223.13287	1.8
225.14813	5.0
227.12860	1.1
229.14229	1.3
229.19632	3.2
239.18068	2.8
243.16016	1.2
247.20592	2.3
251.16348	1.9
257.19077	4.5
259.20621	1.4
269.17419	7.9
275.20084	35.4
276.20425	6.8
277.21515	1.9
281.17529	1.2
293.21191	3.2
299.24301	1.0
301.20084	18.9
302.20435	1.7
307.22641	3.4
331.22717	2.3
335.25629	1.1
349.23788	16.1
350.24155	4.8
351.24872	1.4
367.24908	1.8
368.25430	1.2
381.26294	8.7
437.28568	1.5
440.96545	1.4
499.33926	1.8
517.35242	34.8
518.35614	3.0
525.35175	1.9
530.59955	1.1
531.36884	2.5
543.36823	38.6
544.37006	6.4
546.39594	1.1
549.37897	25.1
550.38275	3.0
561.37927	2.9
563.39630	9.2
575.39465	67.2
576.39948	10.7
593.39941	2.3
607.33533	1.7
607.42194	27.3
608.42236	5.3
624.43463	2.3
804.45331	3.2
805.45288	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.1
65.03922	1.2
67.05503	1.1
69.00251	8.7
69.03424	2.4
70.06608	2.6
72.44028	0.7
77.13651	0.8
79.05516	1.6
81.03410	0.9
84.08150	1.7
85.02919	2.8
86.09716	1.3
92.04977	0.8
93.07042	2.0
94.06570	6.5
95.07348	1.1
96.08117	4.0
97.02895	1.4
98.22575	1.8
106.06553	1.2
107.07248	1.1
108.04482	2.0
108.08115	7.4
110.09673	7.1
113.29642	0.8
116.04985	2.2
120.04482	2.7
120.08109	8.1
122.06026	4.9
124.07598	6.5
132.64348	0.9
134.06032	2.7
136.07597	10.2
138.05516	1.2
138.09154	10.1
144.04468	4.3
146.05998	5.3
148.07587	5.7
150.09189	1.3
152.07095	2.4
153.01898	2.6
160.03952	3.7
162.05556	2.4
164.07083	1.4
166.08629	13.9
167.07147	1.0
172.03932	24.9
172.07536	0.9
174.05508	2.2
176.07066	2.9
182.08380	1.4
190.04994	17.8
190.60268	0.9
196.08029	0.8
196.09920	1.5
197.10783	2.1
199.08650	1.3
199.12282	0.9
204.06557	45.6
205.06871	1.7
207.09172	0.9
209.10719	1.5
210.09390	1.9
211.08678	2.5
212.07240	1.0
212.09451	2.3
213.10196	1.7
223.08722	1.4
224.09357	1.0
225.10236	8.6
227.11792	11.7
235.08629	1.5
236.09421	2.3
237.10207	2.1
238.10979	2.3
239.11777	2.6
241.09665	1.4
245.12782	1.3
249.10388	1.6
250.11015	1.1
251.11809	2.9
253.09769	3.7
253.13216	1.0
255.11378	2.4
263.11789	1.1
264.09036	3.2
265.09744	2.3
266.10550	1.5
267.11340	3.5
269.12799	14.9
270.12915	1.1
271.10709	8.0
273.12378	3.3
277.09735	1.4
278.10519	1.0
279.08594	0.8
279.11255	4.8
280.12073	1.2
281.12668	1.9
283.10864	5.2
284.11533	4.3
285.12390	6.4
286.13306	1.4
287.13910	11.7
295.10770	2.1
297.12375	8.8
299.14050	5.3
302.12894	1.2
307.10815	1.7
309.12314	1.6
311.14072	1.4
312.15060	1.8
313.11948	2.0
314.12894	2.9
315.13647	1.1
316.10663	2.0
316.14310	1.5
323.10330	6.9
325.11774	17.2
326.12433	1.5
326.16547	1.7
327.13638	1.7
327.17136	1.2
328.10751	2.4
328.14404	2.3
329.11630	1.1
329.15369	1.3
330.15933	2.5
331.16852	2.7
341.11926	1.1
342.12289	7.3
343.13000	6.6
344.13910	2.0
355.13046	1.5
356.13916	4.8
357.14490	16.9
358.15518	4.3
365.11169	1.0
366.16269	1.1
367.13126	1.4
368.13770	1.3
370.15674	4.4
371.16226	1.5
372.17169	1.8
378.18390	1.5
382.11877	4.5
383.12637	2.7
384.12958	4.5
385.14163	2.8
386.14917	2.6
386.19077	1.4
388.16495	1.1
390.18069	2.9
394.15402	1.2
397.15247	1.2
398.15012	19.7
399.15787	24.0
400.16553	4.6
402.18320	1.1
404.16055	5.0
412.16562	2.4
414.18188	4.7
416.16049	18.7
417.16351	2.2
422.16772	2.8
428.16083	3.0
430.17673	2.5
440.16229	6.3
446.17004	9.0
458.17120	29.4
459.17615	3.8
478.19724	2.2
487.17090	8.7
490.19742	9.5
491.20044	1.5
519.19849	1.5
522.22003	1.2
539.27087	1.1
551.22803	1.8
567.25842	1.5
569.23926	3.4
583.25897	1.4
593.24213	5.4
611.24982	100.0
612.25293	13.6
643.27570	13.8
729.30975	1.1
773.30212	22.1
774.30103	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	805.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.8
65.03907	0.7
66.63849	0.7
67.05505	0.9
69.03424	2.1
70.06583	2.2
71.30219	1.0
74.06071	0.6
79.05489	0.8
81.03423	1.9
82.06618	0.8
84.08143	1.5
85.02913	1.8
91.05492	2.5
91.22559	0.7
93.07053	2.1
94.06580	2.7
95.04991	1.1
95.07366	1.3
96.08134	3.9
97.02856	0.8
99.71820	0.7
100.14644	0.7
103.05463	1.4
107.04948	1.0
108.08120	6.2
110.09680	8.2
119.04890	1.2
120.08109	6.0
121.06508	4.3
122.06049	4.5
122.09690	1.2
123.04456	1.0
124.07607	1.5
126.09911	0.7
127.03957	0.7
134.06075	0.8
136.07608	7.2
137.05981	2.3
138.09151	11.2
139.09560	0.8
146.09637	0.9
147.04399	2.8
148.07611	2.9
150.09131	2.0
151.03918	2.3
153.01848	0.7
154.39230	0.6
161.06024	0.8
164.07010	1.2
166.08640	16.8
167.07047	2.8
173.06059	0.8
177.05537	1.4
181.05040	1.3
187.03693	2.2
191.07013	0.7
201.05508	1.2
203.07094	0.6
205.04770	1.4
225.10268	0.9
235.08749	3.0
235.12234	1.2
236.09435	0.9
237.10236	7.6
238.10960	4.9
239.11746	4.4
247.08797	2.6
248.09343	4.4
249.10240	11.8
250.11003	14.1
251.11761	11.5
251.14223	0.7
252.12616	1.3
253.09853	1.4
261.10251	5.3
262.10983	3.8
263.11804	35.3
264.09244	1.3
264.12442	5.0
265.09863	4.9
265.13126	5.1
266.10181	1.6
266.14066	0.9
267.11227	3.4
277.09824	5.9
278.10504	3.0
279.11288	24.8
280.11945	2.4
281.12814	4.6
282.10007	2.0
283.10800	2.5
289.09705	2.2
290.10590	1.0
291.11255	14.8
292.11841	3.6
293.09399	1.1
293.12692	6.6
295.10706	3.8
296.11621	2.0
297.12396	4.0
302.04272	0.9
305.08810	1.3
307.10834	9.7
308.11111	0.8
309.12369	12.5
310.12729	0.8
311.13855	2.8
319.10809	5.9
321.12473	1.3
323.10226	2.8
323.13986	4.0
325.11707	5.5
326.11795	0.9
328.14832	1.0
335.10220	5.5
336.10925	3.2
337.11823	35.8
338.12097	2.3
339.13544	1.9
340.14349	1.1
341.15143	1.0
342.16125	2.5
349.11969	1.0
351.13110	1.0
355.12952	12.7
355.17084	1.4
356.13745	2.6
356.17773	0.8
357.14453	24.3
358.15164	2.2
367.12894	14.8
368.13644	3.8
369.14487	15.8
369.18781	1.4
370.15277	3.4
402.18176	1.5
403.18771	3.3
426.18359	0.9
429.16940	1.3
444.19278	2.1
451.21741	0.8
460.18484	1.8
462.20270	0.8
463.19543	0.8
470.16721	0.9
472.18845	1.8
476.22009	1.3
478.19730	1.6
488.18170	2.5
489.18976	1.3
490.19794	11.4
491.20001	1.3
492.21115	2.3
493.20963	1.3
502.19894	1.4
503.20068	0.9
504.21463	2.4
520.20819	41.6
521.21399	12.2
522.22369	100.0
523.22717	11.4
611.25122	1.9
614.68964	0.7
625.26544	2.1
641.15814	1.2
642.16541	0.9
643.16699	5.9
643.27563	4.8
644.27887	0.8
650.23376	1.1
651.24164	0.9
652.25293	1.6
682.25848	3.9
683.26624	3.1
684.27606	14.0
685.27985	2.0
805.21796	10.0
806.22192	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	805.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.5
69.03432	1.6
70.28023	1.3
71.28210	1.6
73.49059	1.1
79.05495	2.0
81.03436	2.9
85.02895	2.6
91.05499	2.4
92.05028	1.4
93.07050	3.5
94.06562	5.2
95.07346	1.7
96.08150	6.6
97.02891	2.0
106.06564	2.1
108.04510	1.7
108.08122	9.6
110.09694	7.7
116.04987	2.8
120.04481	4.5
120.08094	6.5
121.06522	2.2
122.06062	5.8
124.07583	4.1
134.06017	3.1
136.07588	10.3
138.09177	10.7
144.04443	5.3
146.06047	5.6
148.07607	4.0
150.09085	1.7
152.07089	2.8
153.01843	3.2
160.03949	3.7
162.05486	3.5
164.07083	2.3
166.08665	14.5
172.03934	25.2
176.07082	2.9
190.05000	16.5
191.05403	1.5
195.09264	1.2
197.10715	2.4
199.12263	2.5
204.06575	47.7
205.06830	1.8
209.10727	1.9
210.09233	2.3
211.08661	4.8
212.09401	2.5
223.12204	1.7
224.09320	1.3
225.10248	12.4
226.10861	1.7
227.11769	12.2
236.09496	2.7
237.10208	2.4
238.11047	2.3
239.11797	5.3
241.09756	2.3
241.13388	1.5
249.10274	2.9
250.10825	1.2
251.11801	2.5
253.09671	5.5
253.13289	1.3
255.11211	2.1
264.08832	3.8
265.09659	2.3
266.10526	2.6
267.11224	3.4
269.12888	17.5
269.81375	1.2
271.10648	9.1
273.12408	3.2
277.09732	2.6
277.13022	1.3
279.11316	4.7
283.10718	7.0
284.11621	3.4
285.12384	5.9
286.13153	1.8
287.13934	13.5
295.10364	2.5
297.12408	10.6
299.14114	5.9
307.10950	2.1
309.12323	1.4
314.12759	2.8
315.13702	2.0
323.10312	6.6
325.11774	17.7
326.12979	1.4
326.16550	2.1
327.13571	1.7
327.17230	1.8
328.10751	2.8
328.14297	1.3
330.12427	1.4
330.16046	2.6
331.16727	1.6
342.12308	8.0
342.15997	2.4
343.13092	8.2
344.13547	1.8
354.12012	1.5
355.13303	2.9
356.13901	7.3
357.14474	19.5
358.15326	6.3
365.11346	1.3
370.15634	6.5
382.11826	4.8
383.12399	3.1
384.13397	5.2
385.14240	2.8
386.14551	2.5
386.18918	2.6
388.16766	1.5
390.18127	3.5
398.15033	21.2
399.15787	33.2
400.16306	4.5
404.16003	6.0
412.16470	1.9
414.18057	4.4
416.16064	20.8
417.16461	3.1
422.16431	2.0
428.15958	4.4
430.17572	3.2
440.15970	7.7
446.17139	10.6
450.72272	1.3
458.17053	34.7
459.17255	2.7
478.19519	2.1
487.17102	8.0
490.19696	9.0
565.24030	2.9
567.25720	1.5
569.23633	3.9
583.25751	1.7
593.24072	7.2
611.24988	100.0
612.25366	12.3
643.27631	13.6
644.27301	2.0
696.04193	1.3
745.30273	1.7
773.30304	22.9
774.29706	3.6
805.36981	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	805.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
61.02936	0.7
65.03941	1.5
67.05513	1.2
69.03436	1.8
70.06590	2.3
71.30056	0.8
79.05508	1.6
80.05006	0.8
81.03436	1.6
81.07101	0.6
82.06580	0.8
84.04505	1.2
84.08158	0.8
85.02911	3.1
86.09717	0.8
89.03923	0.7
91.05491	1.6
92.05003	1.4
93.05803	0.8
93.07061	2.5
94.06580	4.7
95.04964	0.7
95.07342	1.5
96.08132	5.1
97.02915	1.2
106.06573	1.2
107.07320	1.3
108.04507	2.5
108.08127	8.3
110.09692	8.0
116.05005	2.3
118.06550	0.6
120.04491	4.2
120.08114	7.1
122.06043	5.8
122.09688	0.9
123.03354	0.5
123.04430	0.8
124.07571	5.7
127.03913	0.6
132.04445	0.6
132.08167	0.5
134.06000	3.8
136.07590	9.7
137.08331	0.6
138.09148	9.6
144.04456	4.5
146.06017	6.5
148.07579	3.9
150.09207	0.8
152.07082	2.2
153.01868	2.5
160.03947	3.8
162.05498	4.0
164.07109	1.0
166.08643	15.6
167.07162	0.8
171.09058	0.6
172.03946	24.2
172.07578	1.0
173.04385	0.8
174.05536	2.4
176.07121	2.4
178.04930	0.8
182.08318	0.7
182.09741	0.9
183.09184	0.8
184.09935	0.8
186.05502	0.7
190.04997	16.6
196.09952	0.7
197.10789	1.3
199.08635	0.8
199.12372	1.6
204.06567	46.3
205.06931	1.3
209.10808	1.1
210.09306	0.9
210.11472	0.6
211.08553	2.9
211.12259	0.9
212.09436	1.9
213.10281	1.1
222.07700	0.5
223.08749	1.0
223.12340	1.0
224.09418	1.1
225.10229	8.8
225.12270	0.7
226.10965	1.3
227.11777	13.5
227.13815	1.0
228.57118	0.6
229.13443	0.7
235.08745	1.0
236.09525	2.1
237.10205	3.1
238.10983	1.8
239.11795	3.4
240.12573	0.6
241.09804	1.4
241.13434	1.3
245.12933	0.7
248.09462	0.7
249.10239	1.6
250.11057	0.8
251.08209	1.1
251.11835	3.3
253.09753	4.9
253.13483	0.6
255.11343	2.1
257.12860	0.7
263.08246	1.7
263.11920	1.0
264.08832	2.9
265.09766	3.0
266.10577	1.0
267.11316	3.3
269.12827	14.0
270.13171	0.8
271.10754	9.7
273.12317	4.5
277.09854	2.0
279.11319	5.4
281.12933	1.8
283.10815	6.0
284.11481	3.6
285.12292	4.6
286.13257	1.8
287.13928	14.3
288.14526	0.7
295.10898	2.3
296.11557	0.7
297.12399	9.3
299.11044	0.8
299.14011	4.0
300.14987	1.0
301.12836	0.8
302.13055	1.2
305.09250	0.7
307.10858	1.5
309.12366	1.2
311.14145	1.3
312.14951	1.9
313.12918	1.2
314.12970	2.2
315.13745	1.8
316.11191	0.8
316.14545	1.4
321.08710	1.3
321.12347	1.3
323.10260	6.7
324.11020	0.6
325.11832	18.2
326.12729	2.0
326.16589	1.4
327.13718	2.8
327.17239	1.1
328.10870	2.8
328.14618	2.1
329.15103	1.3
330.12234	1.5
330.16138	2.1
331.13315	0.6
331.16980	1.8
339.13864	1.4
340.14371	1.2
341.11688	1.6
342.12479	6.4
342.16263	1.5
343.12991	6.1
343.16595	0.8
344.13910	0.9
352.14828	0.8
353.12460	0.7
354.16107	1.7
355.09509	0.6
355.13159	1.2
355.16998	1.3
356.13928	5.0
357.14426	19.8
358.15347	4.0
365.11365	1.1
368.13989	0.9
369.15274	1.0
370.11649	0.9
370.15656	4.3
371.16324	1.3
372.17288	1.3
378.18054	1.8
380.14157	1.4
382.11868	3.4
382.16028	0.6
383.12170	2.6
384.13220	5.0
385.14139	2.4
386.14966	2.0
386.18802	2.0
387.15845	0.7
388.16754	0.8
390.18167	3.3
398.14999	17.9
399.15781	28.7
400.16431	3.7
402.18121	1.4
404.15973	5.3
412.16611	2.4
414.18073	4.5
415.17261	0.9
416.16058	17.7
416.21414	1.1
417.16422	2.4
422.16669	1.7
428.16022	3.2
430.17664	3.3
431.18503	0.8
440.16061	7.0
441.16373	1.2
446.17050	9.5
447.17282	0.7
458.17105	29.2
459.17529	3.0
460.18784	0.8
469.15982	0.7
478.19891	2.1
487.17197	9.3
490.19717	10.6
491.20056	1.2
519.19385	0.8
522.22620	0.9
523.23370	0.9
551.23529	0.6
567.26282	1.8
569.23993	3.5
583.25537	1.4
593.23993	6.6
611.25000	100.0
612.25348	11.9
643.27557	14.1
644.27911	2.5
727.28625	0.6
731.29492	1.3
745.31781	1.1
773.30243	24.7
774.30347	4.0
805.31915	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	805.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39830	0.5
61.02928	1.4
62.62878	0.5
65.03947	1.6
65.20436	0.6
67.05473	0.8
67.70889	0.5
68.45528	0.5
69.03426	2.3
69.34213	1.6
69.34633	2.0
70.06567	0.8
79.05505	1.4
80.05025	1.2
81.03432	1.4
82.06603	1.3
84.08146	0.9
85.02919	3.5
89.03903	1.1
91.05493	1.8
93.05760	1.4
93.07050	2.3
94.06576	7.1
95.04971	1.0
95.07365	1.6
96.08140	6.4
97.02911	1.2
97.06567	0.7
103.05452	0.8
106.06577	1.5
107.07330	1.0
108.04482	2.2
108.08131	11.4
109.08977	0.6
110.05996	0.7
110.09686	9.7
116.05003	2.7
118.06570	1.4
119.30464	0.5
120.04490	4.6
120.08109	9.2
122.06034	6.9
122.09736	1.5
124.07610	8.0
127.03898	1.1
132.04478	0.7
134.06035	4.2
136.07596	12.9
136.08652	0.6
138.05415	0.7
138.09158	11.9
144.04454	5.1
146.06032	7.5
148.07605	3.8
150.09195	2.2
152.07063	3.2
153.01840	2.1
158.09680	0.7
160.03972	3.8
160.07571	0.8
162.05504	4.1
164.07118	2.2
166.08652	20.7
167.07130	2.9
172.03944	25.2
172.07574	0.9
174.05504	2.9
176.07100	3.2
181.04961	0.9
182.09709	1.1
186.05566	0.7
186.09232	1.0
190.04988	22.2
191.05466	0.6
195.09212	0.7
196.07706	0.7
196.09851	1.0
197.07213	1.1
197.10841	2.2
198.11542	1.1
199.12354	2.2
204.06575	47.4
205.06949	2.0
209.10812	2.2
210.09369	1.3
211.08633	3.9
211.12439	1.1
212.09500	2.2
213.10265	1.0
214.10948	0.9
223.08679	1.1
223.12274	1.3
224.09393	1.1
225.10240	10.9
226.10976	2.0
227.08330	0.8
227.11792	16.1
229.13469	0.7
235.08699	1.0
236.09444	2.9
237.10277	4.7
238.08911	0.6
238.10915	3.0
239.11795	4.4
241.09758	1.8
241.13411	1.0
243.11328	0.8
245.13011	0.8
249.10202	3.6
250.10852	1.1
251.08255	1.1
251.11763	4.0
252.09001	1.2
252.12494	1.1
253.09715	6.2
253.12337	0.6
253.13510	0.8
255.11397	2.0
261.10257	1.1
263.08365	1.9
263.11884	1.3
264.08875	5.1
265.09845	2.7
266.10358	1.5
267.11212	3.5
269.12857	19.4
270.13239	0.9
271.10788	10.9
273.12360	4.5
277.09784	3.0
278.10428	1.1
279.11310	6.1
280.11746	0.8
281.09387	0.9
281.12930	1.7
283.10812	5.8
283.13629	0.9
284.11542	5.0
285.12274	5.6
286.13254	1.6
287.13937	13.5
288.14496	1.0
289.13367	0.7
291.11209	1.6
293.09250	0.9
293.12952	1.1
295.10944	2.1
296.11783	0.8
297.12363	9.9
298.10654	0.8
299.13971	6.5
300.14920	1.1
302.13058	1.1
305.09116	1.4
307.10791	3.0
309.12457	2.1
311.14429	1.4
312.14948	2.2
313.12897	1.4
314.13080	2.9
314.16428	0.7
315.13785	1.1
316.11185	1.2
316.14624	1.9
317.15381	1.1
321.08728	0.9
323.10300	8.1
325.11816	22.8
326.12576	2.2
326.16678	1.8
327.13629	3.6
327.17114	1.2
328.10855	2.4
328.14227	2.8
329.11594	1.2
329.15311	2.2
330.12601	0.9
330.16132	2.8
331.16840	2.0
334.09424	1.2
335.10028	1.1
337.12030	1.7
339.13751	2.6
340.14749	0.9
341.11966	2.2
342.12534	6.7
342.16022	1.2
343.12970	7.7
343.16287	0.7
344.13751	1.9
344.17474	1.3
352.14737	1.3
354.12381	1.2
354.16208	1.8
355.13684	2.6
356.13977	5.7
356.17627	0.6
357.14496	22.6
358.15482	4.8
365.11530	1.9
366.16403	1.1
367.13306	1.7
368.13931	1.1
369.15369	1.4
370.11874	0.9
370.15671	6.6
371.16296	2.4
372.13232	0.9
372.17325	1.4
378.18219	1.5
380.13971	1.3
381.14014	0.8
382.11600	3.9
383.12433	2.8
384.13293	5.8
385.13962	3.2
386.14218	2.7
386.19333	3.8
387.15488	0.8
388.16962	1.0
390.17990	4.1
394.15512	2.0
397.15234	2.4
398.15057	21.5
399.15811	32.9
400.16376	3.8
401.13644	1.1
402.18213	1.6
404.15982	7.7
410.15128	0.8
412.16556	2.4
414.18155	6.7
415.16599	0.7
416.16055	19.7
417.15979	3.5
422.16663	2.6
428.16107	4.7
430.17651	3.5
431.17621	1.0
440.16037	8.2
441.15247	2.4
446.17081	14.5
447.17377	1.7
458.17145	37.3
459.17728	3.8
472.18488	0.8
476.18347	0.9
478.19870	2.4
487.17294	7.4
488.17807	0.9
489.19055	0.9
490.19815	10.7
491.20020	1.2
519.19586	0.9
520.20734	1.0
522.22400	1.3
523.24396	0.8
541.25000	1.6
551.22626	0.8
565.24585	2.2
567.26196	1.8
569.23962	4.6
583.24884	1.3
593.24011	9.3
594.23322	1.8
611.25031	100.0
612.25323	13.1
625.26678	0.7
626.25037	2.6
643.27692	9.2
650.23090	0.8
653.25397	0.7
731.29254	1.4
755.29126	1.4
756.28564	0.9
773.30304	19.3
774.31018	3.2
788.29871	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	805.509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.1
60.08173	1.0
60.11413	0.9
60.29419	0.9
64.82763	1.0
65.03944	2.9
67.05509	34.5
69.03420	1.2
69.07069	8.4
71.04987	1.6
79.05499	44.0
81.03425	3.9
81.07061	100.0
82.07375	2.2
83.05000	6.5
83.08629	6.8
85.02913	4.4
85.06546	1.4
86.09718	2.6
91.05486	22.2
93.07047	27.0
94.37341	1.0
95.04981	11.3
95.08607	19.2
97.06542	2.6
97.10177	5.5
99.04465	1.0
105.03414	1.1
105.07040	14.0
107.04958	6.3
107.08603	14.2
109.06520	44.3
109.10149	9.5
110.06889	1.2
111.04449	7.4
111.08083	2.7
111.70690	1.4
115.05508	1.3
117.07010	9.3
119.08585	20.9
119.09389	0.7
121.06523	4.0
121.10150	10.0
123.08080	5.3
123.11716	1.4
125.00031	2.6
125.09654	4.3
128.06256	1.4
129.07001	4.1
131.08582	9.1
133.06505	1.8
133.10161	5.2
135.08052	2.6
135.11703	5.9
137.09590	1.7
143.08562	3.7
145.10117	10.1
147.08061	8.0
147.11678	3.6
149.09610	3.7
149.13274	1.1
153.12706	2.1
157.10136	3.3
159.11723	3.5
161.09612	7.5
161.13281	2.4
163.11253	5.3
165.09137	2.7
169.10129	1.3
171.11716	1.5
173.09581	1.4
173.13254	1.5
175.11238	1.3
176.32312	1.0
181.12238	2.1
184.07355	12.2
185.07700	2.0
185.13251	1.7
187.23444	1.0
189.11295	2.0
189.12836	1.6
193.74304	0.9
195.11674	1.0
199.11307	1.1
223.13284	1.9
227.12805	2.3
227.18066	1.3
245.19098	1.5
249.14883	3.5
255.17377	1.7
261.22134	2.0
273.18509	19.5
274.18796	1.4
275.20142	2.8
282.09460	1.0
283.15335	1.2
291.19553	62.4
292.19888	3.5
335.25812	41.2
336.26022	2.5
347.22156	7.7
365.23294	10.8
443.31665	1.2
519.21021	1.1
607.43628	7.6
625.44592	29.7
626.44666	4.0
655.41296	1.3
805.46857	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	805.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.9
57.07063	1.4
63.89165	1.0
65.03951	3.6
67.05510	38.9
69.03432	2.7
69.07070	9.8
71.04995	2.0
77.03963	0.9
79.05498	45.6
81.03439	4.0
81.07061	100.0
82.07402	2.5
83.04985	7.8
83.08620	7.3
85.02897	4.9
85.06557	2.8
86.09721	4.3
91.05484	23.2
92.05827	1.0
93.07049	28.7
95.04972	15.7
95.07988	1.2
95.08605	21.7
97.06552	3.9
97.10186	5.9
99.04459	1.7
99.08086	1.5
103.05479	1.0
105.04536	1.6
105.07034	18.5
105.07684	1.5
107.04974	5.5
107.08598	15.3
109.06524	46.6
109.10177	7.7
110.10499	1.0
111.04439	6.9
111.08082	4.4
113.06020	2.6
113.74023	0.9
117.07026	13.4
118.96133	1.1
119.04965	1.4
119.08589	22.5
121.06512	6.8
121.10152	10.3
123.08073	4.1
123.11763	1.5
125.00035	2.2
125.09643	4.9
128.06212	2.1
129.05595	1.0
129.06972	4.7
131.08586	12.3
132.56065	0.9
133.06508	3.2
133.10086	8.0
135.08084	9.6
135.11655	5.1
137.09608	2.4
143.08618	4.5
145.10126	12.6
147.08058	10.5
147.11725	3.7
148.12209	1.3
149.09612	6.7
149.13321	1.9
153.12845	2.0
155.08577	1.6
157.10162	3.5
158.64380	1.0
159.08058	2.3
159.11696	3.9
161.09644	6.6
161.13272	2.3
163.11172	4.6
163.14845	1.1
165.09140	1.7
169.10196	1.1
171.11711	2.7
173.09651	2.2
173.13242	1.8
175.11292	1.4
177.12813	1.1
181.12230	2.5
183.10184	1.4
183.11716	1.3
184.07341	11.1
185.07736	0.9
185.13310	2.9
189.11299	2.3
191.10677	1.6
191.14333	1.1
195.11739	1.7
199.11116	1.5
211.46767	1.0
217.15944	1.6
223.13313	2.0
227.12703	1.7
227.17987	2.0
237.16153	0.9
245.19028	0.9
249.14935	3.8
255.17532	2.9
259.20447	1.5
273.18509	21.9
274.18701	1.9
275.20142	3.9
291.19547	79.7
292.19843	5.5
333.24500	1.0
335.25800	34.8
335.62439	0.9
336.26071	2.3
337.27322	1.1
347.22165	8.6
349.23856	1.4
352.03302	1.0
365.23270	11.5
607.43317	7.1
608.43475	1.6
625.44604	32.2
626.44476	6.3
805.47455	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	805.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.0
57.07068	3.7
61.02913	1.9
65.03944	4.0
67.05508	66.7
68.05824	1.1
69.03423	4.8
69.07072	29.5
70.07394	1.3
71.04988	4.7
71.08632	1.6
79.05495	61.5
80.05821	2.2
81.03427	7.2
81.07061	100.0
82.07389	3.1
83.04993	7.6
83.08624	14.1
85.02892	2.0
85.06539	5.4
86.09710	3.1
87.91078	1.3
90.51309	1.3
91.05484	62.9
92.05821	2.0
93.07049	56.3
95.04968	14.8
95.08611	38.1
95.09117	0.7
95.09230	1.4
96.08929	1.6
97.02876	2.8
97.06523	11.0
97.10175	3.7
99.04487	1.5
99.08093	4.7
103.05469	1.5
105.04535	2.8
105.07033	67.8
106.07352	2.0
107.04960	10.2
107.07858	2.0
107.08591	33.2
108.08929	1.5
109.06525	17.4
109.10159	19.5
110.06806	1.4
111.04448	1.6
111.08076	4.5
113.73788	1.1
115.05432	2.9
116.06247	1.8
117.07018	19.0
119.08582	49.8
120.08887	1.5
121.06490	4.7
121.10149	22.1
121.18137	1.1
123.08078	8.4
123.11695	8.2
125.00051	1.9
125.09650	1.4
128.06229	2.2
129.05481	1.5
129.07002	12.4
130.07564	1.2
131.08571	28.1
133.06531	1.8
133.10129	38.3
134.10489	2.0
135.08052	6.0
135.11708	19.0
135.75034	1.3
137.09599	5.5
137.13303	1.2
139.11157	2.1
141.06992	3.3
142.07800	2.3
143.08560	12.2
145.10129	24.2
147.07997	3.6
147.11693	41.3
149.06020	1.4
149.09637	8.1
149.13268	11.7
151.11176	2.2
155.08569	4.5
157.10120	11.9
159.08008	2.5
159.11687	18.1
161.09593	2.0
161.13283	19.8
163.11208	7.1
163.14850	5.1
165.12773	5.8
169.10123	4.8
171.11716	11.3
173.09644	1.5
173.13246	11.7
175.11191	4.9
175.14816	9.2
177.12762	4.8
183.11690	5.2
184.07275	6.5
185.09546	1.3
185.13277	8.7
187.11154	1.8
187.14827	4.7
189.12701	2.6
189.16357	1.8
193.12210	2.6
195.11719	1.9
197.13289	3.9
199.11295	1.9
199.14799	3.2
201.12863	1.1
201.16463	2.0
203.14423	1.2
211.14911	2.4
213.16408	2.1
215.17950	2.0
217.19431	1.5
229.19510	2.6
231.21045	3.5
239.17909	2.8
241.19534	19.2
247.20561	2.7
257.18991	7.7
259.20587	39.5
260.20914	3.4
267.16071	1.7
273.18530	1.4
275.17084	2.6
275.20068	42.5
276.20410	4.9
277.21613	3.7
293.21069	12.3
301.21640	1.6
315.23093	5.6
333.24255	54.2
334.24612	5.7
335.25757	3.4
349.23904	11.2
351.25095	3.1
365.23160	1.5
367.24872	31.8
419.17682	1.4
501.35999	1.7
515.38892	1.9
527.36792	1.5
533.40015	3.9
551.40967	3.1
575.38086	1.4
576.40051	1.4
607.43744	9.5
608.43286	2.3
625.44586	19.6
626.44366	1.7
643.45618	1.9
733.46655	1.7
747.42444	1.9
751.47321	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	806.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	7.9
69.23348	2.4
70.06580	0.5
76.02216	0.9
79.01857	4.3
81.03439	0.8
85.02955	0.3
97.02886	1.0
107.01309	1.0
109.02875	1.0
117.85118	0.3
122.02751	0.5
125.02338	2.8
127.03936	1.6
137.02354	0.7
139.11148	1.7
143.03394	5.6
151.07536	0.6
153.01831	100.0
153.02879	5.4
154.02176	2.5
163.03964	0.7
171.95181	0.3
183.04759	1.2
191.03421	1.8
202.51682	0.4
207.13808	5.5
209.04460	0.4
213.03827	0.5
219.02924	0.5
237.03946	6.6
239.10892	0.9
243.81201	0.3
261.03851	0.9
264.22931	0.3
279.05038	2.3
297.06030	1.8
303.04941	3.9
328.15823	5.2
449.07181	5.5
450.07260	0.4
456.94449	0.4
619.08850	1.1
796.62115	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	806.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05484	0.1
60.40297	0.1
62.66886	0.1
64.14256	0.1
68.99773	0.1
69.03433	0.2
69.16603	1.0
79.01854	5.6
79.11066	0.1
80.02176	0.1
81.03416	0.6
87.00858	0.2
97.02885	1.0
98.10358	0.1
104.73267	0.1
107.01328	1.1
109.02876	1.2
123.00831	0.2
125.02349	2.5
127.03923	2.3
131.04930	0.2
143.03401	6.3
146.06935	0.1
153.01833	100.0
153.02872	5.2
154.02173	3.1
154.03412	0.2
159.04433	0.3
163.03917	0.3
177.05554	0.2
191.03378	0.4
192.99602	0.1
200.51045	0.1
205.04939	0.4
213.04036	0.2
215.03477	0.2
217.05096	0.2
233.04404	1.4
237.03969	0.8
239.18665	0.1
243.02911	0.3
259.02457	0.2
260.02820	0.2
261.03983	1.5
262.04282	0.1
277.03564	0.9
278.03726	0.3
279.05017	2.7
297.06110	0.3
305.02899	3.0
306.03336	0.2
344.73743	0.2
431.06100	0.2
437.09082	0.1
449.07013	1.5
601.08270	0.2
619.08875	0.4
765.16168	0.1
771.10486	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	806.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14906	0.1
69.03439	0.4
71.09608	0.2
79.01857	6.5
81.03420	0.8
87.00867	0.2
97.02917	1.0
101.34425	0.2
107.01319	1.1
109.02869	1.2
123.00829	0.3
125.02354	3.0
126.10061	0.2
127.03918	3.0
143.03401	6.6
147.04416	0.4
150.02907	0.2
153.01834	100.0
153.02899	6.0
154.02167	2.7
154.03401	0.2
159.04451	0.3
163.03896	0.3
177.05437	0.2
187.03877	0.2
191.03421	0.3
192.03534	0.1
205.05057	0.4
209.01048	0.2
215.03407	0.3
217.01367	0.3
219.02850	0.4
221.00829	0.3
233.04425	1.4
235.02333	0.3
237.03952	0.5
243.02841	0.2
259.02350	0.3
261.03906	1.7
275.01892	0.5
277.03378	0.3
279.05026	3.2
280.05267	0.2
297.06128	0.3
305.02960	1.3
309.02420	0.3
400.77109	0.2
421.77325	0.2
431.06110	0.2
449.07074	1.4
619.09082	0.6
771.09967	0.6
806.29889	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	806.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17633	2.4
57.03442	25.6
57.07066	3.6
59.05009	3.0
61.02931	6.6
65.03941	5.7
67.05510	100.0
67.85946	2.9
69.03436	14.2
69.07078	32.2
69.10587	18.7
71.01378	3.3
71.05000	13.2
73.02901	3.8
79.05501	75.7
79.05968	3.9
79.17150	2.6
81.03425	93.8
81.06584	5.2
81.07065	96.7
82.07388	2.7
83.04986	35.9
83.08624	37.4
85.02908	27.9
85.06540	7.1
91.05488	81.1
93.07047	60.7
95.04968	46.2
95.08044	3.4
95.08618	38.2
97.02895	19.2
97.06541	21.9
97.10165	19.5
99.08124	4.0
103.05484	4.0
105.07037	49.3
107.04964	22.7
107.08609	40.7
109.02853	5.5
109.06516	18.8
109.10166	45.6
111.04459	9.3
111.08084	18.1
113.06020	3.0
115.05454	4.9
116.04689	4.0
117.07031	17.2
119.04955	3.1
119.08588	37.2
121.06524	11.8
121.10157	28.4
123.04431	5.9
123.08073	9.5
123.11723	6.8
125.05969	3.1
125.09631	16.0
127.03939	4.2
128.06229	4.1
129.05498	9.7
129.07013	19.3
131.08557	24.4
133.06490	9.1
133.10133	26.8
135.08052	12.9
135.11694	16.2
137.09630	19.5
142.07805	4.9
143.07201	2.6
143.08554	6.1
145.06511	5.1
145.10147	18.0
147.08026	11.9
147.11707	26.2
149.09616	12.6
151.07574	4.5
151.11174	6.4
153.09103	9.6
155.08597	2.3
155.10690	6.4
157.08794	4.8
157.10149	20.5
159.08113	5.8
159.11716	5.7
161.09636	9.1
163.11150	12.9
165.09148	6.4
165.12796	6.9
171.08075	2.8
171.10149	3.7
171.11720	4.0
171.70432	2.4
173.09596	5.0
173.11780	9.8
175.11162	23.3
177.12776	3.4
181.12248	4.6
184.07234	2.7
189.11241	8.8
191.10603	4.8
193.12253	77.0
199.13293	5.4
211.11270	5.0
211.13304	67.6
212.13702	2.8
221.11769	5.9
223.13309	3.3
227.12779	12.3
229.14311	18.8
239.12813	2.8
245.18745	2.7
249.88828	2.6
255.16052	2.8
267.15897	34.3
269.17548	7.4
271.16983	4.7
273.18463	17.6
275.20038	6.7
283.15454	9.0
285.16983	50.4
286.17712	2.7
289.18011	14.4
291.19543	16.5
301.16534	5.9
307.19193	7.2
316.20758	2.6
339.18481	2.5
347.22141	7.1
349.23917	4.6
363.21548	6.5
365.23361	12.4
381.22714	8.7
399.23782	26.2
421.25858	7.4
439.26901	38.4
447.27722	5.2
461.28906	5.0
479.29993	9.7
519.32971	4.1
523.28949	4.8
541.35718	2.6
555.33356	4.4
557.34631	8.8
559.36487	4.8
573.34399	13.4
575.35620	10.7
591.35321	16.0
592.35706	3.2
609.36304	24.8
610.36621	6.4
703.34949	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	806.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	13.0
57.07079	1.6
65.03939	2.6
67.05508	35.5
69.03427	3.2
69.07071	18.9
69.07433	1.8
69.72868	2.2
69.73247	3.5
70.91244	1.0
71.05002	4.2
77.22588	1.1
79.05497	32.4
81.03421	72.9
81.07060	71.4
82.03775	1.0
82.07377	1.5
83.04987	5.9
83.08617	21.0
85.06538	3.2
91.05482	33.8
93.07045	22.4
95.04970	23.7
95.08614	20.8
97.02904	3.2
97.06537	6.4
97.07070	0.9
97.10152	6.6
98.22683	1.8
99.08077	1.8
105.04636	1.1
105.07027	32.9
107.04969	9.8
107.08601	17.5
109.06526	18.9
109.10146	9.0
110.47479	1.1
111.04425	1.1
111.08064	9.5
113.36738	1.1
115.05469	2.3
117.07032	6.4
119.04929	1.8
119.08576	25.3
121.06519	5.8
121.10144	13.9
123.08065	8.1
123.11703	5.0
125.09607	2.4
129.07005	10.3
131.08557	14.0
133.06534	5.0
133.10150	14.7
135.08095	3.6
135.11707	4.9
137.09612	3.4
141.06973	1.4
142.07794	2.2
143.08542	2.9
145.10118	10.1
147.08058	4.5
147.11684	18.7
149.09622	9.4
149.13260	5.1
151.11234	2.2
155.08560	2.3
157.10141	11.3
159.08096	1.4
159.11703	6.3
161.09583	1.2
161.13240	2.0
163.11192	6.0
163.14844	1.5
165.12773	5.2
169.10127	1.3
171.11678	2.8
173.09692	1.3
173.13283	2.7
175.11194	9.3
177.12825	1.8
183.11737	1.8
184.07285	1.6
187.11177	2.2
193.12247	18.0
229.19606	1.6
233.15436	1.2
247.20660	2.3
249.14836	2.0
257.18982	2.9
267.15912	100.0
268.16254	3.6
275.20059	27.4
291.57159	1.1
293.21100	10.0
294.21631	1.2
305.18973	1.0
349.23709	15.0
350.24274	1.4
367.24814	37.0
368.25269	2.7
449.30521	4.0
467.31448	6.7
468.32083	1.3
471.26953	1.2
471.49118	1.1
472.21884	1.2
485.32504	4.2
513.36243	1.3
523.34192	2.9
541.35229	47.5
542.35651	6.6
559.36316	97.5
560.36682	13.1
583.35590	1.1
724.52765	1.3
807.39569	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	806.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.2
57.07065	1.6
59.05017	1.5
60.43284	1.2
65.03933	2.1
67.05511	30.0
69.03432	3.4
69.07072	14.7
71.04985	4.1
75.16840	1.1
79.05498	30.6
81.03423	74.4
81.07064	29.6
82.03779	1.6
83.04985	12.4
83.08626	31.4
85.02907	3.7
85.06538	1.7
85.85098	1.2
91.05489	33.1
92.05817	1.1
93.07052	27.2
95.04971	64.5
95.08620	14.8
97.02887	3.0
97.06531	5.1
97.10175	9.8
98.22546	1.9
99.04465	4.0
100.30165	1.1
105.07040	27.0
107.04955	15.1
107.08599	20.7
109.06547	6.5
109.10166	9.0
111.04458	8.3
111.08085	9.4
115.05418	1.4
117.07013	9.0
119.08582	24.1
121.06532	6.7
121.10146	16.9
123.08079	5.7
123.11715	1.6
125.09643	10.4
129.07013	9.8
131.08580	16.9
133.06528	3.6
133.10144	12.8
135.08066	3.6
135.11658	7.7
137.09679	3.9
139.11240	1.9
141.06985	2.0
142.07779	1.4
143.08578	4.0
145.06483	2.2
145.10139	15.3
147.08069	6.9
147.11713	10.7
149.09636	19.2
149.13191	1.9
151.11229	1.4
153.09206	1.4
155.08662	2.1
157.10155	9.5
159.11720	4.9
161.09637	1.4
161.13220	2.0
163.11185	19.0
165.12758	3.4
169.10167	3.6
171.11726	2.8
173.09630	1.6
173.13271	1.7
175.11162	9.6
177.12793	3.5
187.11197	3.8
189.11235	6.1
189.12769	1.9
193.12248	15.2
197.13324	1.8
205.12292	4.2
211.13269	3.4
211.22589	1.3
215.14287	1.2
217.77458	1.1
219.13710	1.2
223.13295	21.8
227.12831	2.5
228.94452	1.1
239.17999	2.3
247.20557	1.4
249.14981	1.4
257.18982	4.6
267.15924	100.0
268.16248	4.2
273.18729	1.4
275.20096	35.9
276.20337	2.6
293.21075	22.9
294.21335	1.3
307.12085	1.2
311.22244	1.4
335.98462	1.1
346.89432	1.4
349.23740	19.6
367.24792	36.9
368.24982	3.1
431.28006	2.0
433.25894	11.0
467.31631	2.5
491.84961	1.3
501.31918	1.3
523.33795	1.7
541.35205	26.4
542.35260	3.6
559.36322	96.2
560.36731	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54134	3.7
57.03438	22.4
60.66795	4.5
65.03944	5.0
67.05506	71.0
67.12249	4.3
69.03430	4.6
69.07072	24.6
70.86668	10.6
71.05006	8.1
79.05500	61.1
81.03422	100.0
81.07065	54.9
83.04980	13.1
83.08608	22.2
91.05490	47.2
93.07053	58.5
95.04973	39.6
95.08621	41.4
97.02900	7.1
97.06522	12.8
97.10177	14.9
105.07034	52.2
107.04962	14.7
107.08611	26.3
109.06542	10.4
109.10161	16.7
111.08098	13.6
115.05433	6.0
117.07026	16.2
119.08577	23.3
121.06502	6.5
121.10165	22.9
123.08096	9.7
123.11715	4.5
125.09635	8.2
127.03951	5.3
129.07016	16.2
131.08560	31.1
133.06429	7.7
133.10110	27.0
135.08076	5.0
135.11694	19.0
137.09599	5.8
142.07817	7.6
143.08612	10.0
145.06494	6.5
145.10156	15.3
147.08032	7.0
147.11684	14.7
149.09610	19.1
149.13289	8.4
153.01886	5.8
157.10136	17.3
159.11720	10.3
163.11200	9.1
165.12766	4.9
173.09627	6.3
173.13174	4.6
175.11229	12.7
185.13126	4.2
189.11232	4.3
193.12204	21.4
195.13737	4.8
255.15930	8.6
267.15897	83.3
269.17606	26.8
269.20105	4.4
275.20074	18.5
349.23773	16.1
367.24820	8.4
373.23557	4.6
443.27655	8.2
447.27560	21.9
461.28952	83.1
462.29337	7.3
471.68900	4.4
493.31720	10.4
494.32211	5.7
541.35150	39.8
559.36340	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	806.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.7
57.76603	2.1
59.51160	2.2
60.59934	2.1
65.03938	5.1
67.05507	46.2
69.07072	26.4
79.05495	42.2
79.05917	3.7
81.03432	4.0
81.07063	64.1
83.04997	5.5
83.08620	9.4
91.05490	53.5
93.07047	44.1
95.01332	5.1
95.04974	7.2
95.08609	38.1
97.06542	9.0
97.10184	4.4
105.07044	55.9
107.04955	11.0
107.08620	17.6
109.06546	7.1
109.10146	11.3
111.08102	2.8
117.07032	9.1
119.08592	26.6
120.08929	2.2
121.10134	12.8
123.08079	2.4
131.08578	17.6
133.06413	2.2
133.10129	32.4
135.08058	2.4
135.11707	10.4
137.09627	2.6
137.85475	2.3
143.08575	2.0
145.10150	14.3
147.11658	10.1
149.09625	3.8
149.13243	4.1
155.08568	2.5
157.10104	2.5
159.11734	7.1
161.13277	4.8
169.10147	3.4
173.13306	3.2
179.14343	8.5
184.07458	3.1
219.17467	21.2
245.71681	2.3
257.18954	2.8
275.20047	40.4
335.25836	48.0
349.23633	17.2
473.77957	2.4
609.45129	100.0
610.45184	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	806.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.2
57.07062	3.3
67.05176	3.9
67.05508	40.5
68.30557	2.2
69.07066	14.8
79.05492	34.5
81.03442	2.9
81.07057	39.5
83.04993	4.9
83.08620	9.7
86.09695	4.5
91.05473	25.3
93.07056	34.3
95.04965	4.7
95.08606	32.3
97.02872	2.3
97.06526	3.8
97.10166	4.3
105.07033	21.2
107.04957	5.2
107.08595	23.7
109.02873	3.2
109.06515	8.5
109.10154	15.2
117.06992	6.8
119.08579	14.9
121.06514	10.1
121.10133	17.2
123.08064	5.2
123.11742	2.6
125.00028	3.2
125.09652	2.8
129.06944	2.2
131.08536	14.8
132.10300	2.2
133.10118	16.3
135.08066	3.6
135.11691	8.6
137.09558	2.6
145.06503	2.2
145.10123	13.3
147.08003	2.4
147.11684	10.4
149.09625	4.2
149.13280	6.0
151.11189	4.8
157.10124	2.2
159.11707	7.0
161.13243	5.5
163.11214	3.9
169.10268	2.4
171.11703	2.8
173.13274	8.3
184.07362	14.7
201.12669	3.3
207.13768	3.1
219.13783	2.5
257.18967	7.3
261.22183	6.1
275.20059	57.0
293.21017	10.2
335.25781	38.9
336.26038	2.1
349.23746	56.5
350.24078	3.0
367.24783	4.3
609.45142	100.0
610.45288	11.0
612.45990	7.7
627.46509	11.1
644.47998	4.3
669.60266	2.4
774.51544	4.9
799.51111	2.4
806.52002	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.5
60.91724	2.1
61.02914	2.3
61.32871	2.1
63.67913	2.1
67.05510	35.4
69.07068	8.7
71.57228	2.1
79.05503	25.2
81.07064	35.4
83.08608	5.3
88.23338	2.4
91.05484	12.4
93.07048	24.8
95.04990	3.1
95.08616	28.2
98.22583	5.7
104.99816	2.2
105.07031	8.6
107.08603	15.7
109.10155	11.7
117.07052	3.0
119.08592	6.9
121.10125	10.4
123.08000	2.9
123.11705	4.0
125.32267	2.2
129.31624	2.3
131.08572	10.0
133.10130	9.3
135.08009	2.5
135.11711	8.3
145.10110	5.0
147.11668	5.0
149.13264	5.8
159.11758	4.0
161.13150	4.1
173.13239	3.1
175.14905	2.6
184.07338	3.9
243.21008	4.2
259.20630	3.3
261.22137	11.2
335.25812	100.0
336.26175	4.7
337.27347	4.5
449.95468	2.8
595.47552	11.4
595.55280	2.3
596.46887	2.7
613.48041	2.5
636.78772	2.4
665.51477	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	807.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70901	0.9
61.02937	1.0
67.05496	1.1
69.03432	4.1
69.70158	4.0
69.70540	1.3
79.05499	2.2
80.05033	1.1
81.03407	1.2
82.06588	1.0
85.02901	4.0
91.05508	2.1
93.07042	2.9
94.06594	6.2
95.07369	3.3
96.08141	7.5
97.02891	1.4
98.23340	1.6
106.06563	2.6
107.07371	2.0
108.04491	1.8
108.08120	17.8
110.09698	13.8
111.88889	1.0
116.04981	1.6
118.06537	1.4
120.04488	2.9
120.08121	12.3
121.08958	1.2
122.06037	11.2
122.09685	4.5
124.07592	6.6
132.08122	1.7
134.06041	3.0
134.09720	1.1
136.07582	26.8
137.08261	1.0
138.05452	1.1
138.09131	20.8
144.04462	3.2
146.06030	7.7
148.07581	15.7
148.08661	1.2
149.08302	1.2
150.09138	10.9
152.07076	21.3
153.07312	0.9
158.06065	1.3
160.07639	2.0
162.05513	2.6
164.07013	5.2
166.08650	43.1
167.06963	1.0
167.08983	1.7
172.03937	20.4
174.05519	2.6
174.09172	2.4
176.07155	2.6
182.08084	1.4
183.09160	1.2
190.05000	17.9
192.06569	0.9
194.08170	1.6
197.10728	1.6
198.11479	2.0
199.12253	1.7
204.06575	33.4
209.10736	1.8
210.11569	4.3
211.12265	6.9
212.09453	1.7
212.12950	2.3
214.11089	1.0
218.08214	3.1
223.08766	1.5
223.12335	4.8
224.09453	1.7
225.10243	8.9
225.13889	2.4
226.10976	4.0
227.11797	4.8
229.09787	2.1
229.13368	2.4
235.08563	1.2
235.12151	1.7
236.09465	1.4
237.10216	7.4
237.13989	1.4
238.10989	7.4
239.11786	9.9
240.12523	2.6
241.13330	1.7
245.12888	1.4
246.07690	1.5
247.08299	1.1
248.09538	2.0
249.10228	6.7
250.10942	6.5
251.11819	16.4
252.08981	2.8
252.12512	4.9
253.09682	2.5
253.13461	5.7
255.11343	3.9
256.12045	3.6
257.12723	1.6
262.11145	2.0
263.07867	1.2
263.09036	1.5
263.11786	16.6
264.08844	3.5
264.12521	5.4
265.09799	6.8
265.13281	8.9
266.10495	4.6
266.14056	1.3
267.11298	19.6
268.11981	4.2
269.12967	6.1
271.11066	1.9
271.14456	7.5
273.12378	3.6
275.11743	1.3
276.08649	1.3
277.09766	4.2
278.10522	4.2
279.11267	29.3
279.14233	1.9
280.11810	7.0
281.12827	11.2
282.10016	2.0
282.13528	3.0
283.10806	4.5
283.13782	1.2
284.11533	12.8
285.12338	35.0
286.12753	2.7
287.13943	3.7
289.15451	2.7
291.08118	1.1
291.11249	15.1
292.11945	4.5
293.09509	2.0
293.12781	15.4
294.13266	2.4
295.10764	4.0
295.14221	1.7
296.11603	6.0
297.12347	48.0
298.12927	5.4
299.13803	7.4
305.09445	1.2
307.10724	3.7
309.12311	25.3
310.13107	4.4
311.10257	6.5
311.13879	4.5
313.11975	2.8
316.14465	1.5
319.10815	12.9
320.11407	1.0
321.12335	10.8
322.12933	1.3
323.10251	12.7
323.13800	2.1
324.10889	2.9
325.11841	20.7
326.12445	1.7
327.13409	10.5
337.11819	62.7
338.12308	6.5
339.13501	6.0
340.13934	1.3
341.11307	2.1
343.12836	3.5
351.13815	1.2
355.12939	1.9
357.14484	11.7
358.15143	2.0
358.19189	1.3
359.16190	2.3
360.17105	1.4
362.18756	1.4
369.14502	3.6
370.15530	2.0
371.16226	2.7
373.13742	1.8
384.17453	1.2
385.13995	2.4
388.16125	1.2
390.18076	2.9
392.19684	1.8
400.16599	2.6
401.17682	1.2
402.17953	1.4
404.19791	3.8
412.16583	2.4
416.19913	1.4
418.17624	2.8
420.19046	2.8
421.20294	1.3
422.20905	2.3
430.17517	10.0
431.18311	1.6
432.19006	5.3
436.18713	1.7
442.17615	3.4
444.18713	1.9
446.20663	6.3
448.18701	26.4
449.19394	16.5
450.20139	14.7
451.20645	1.5
460.18695	20.5
461.19168	4.4
462.20401	4.6
463.20905	2.2
472.18518	2.6
474.20187	4.4
476.18237	5.8
477.19058	8.6
478.19681	6.6
480.21320	3.5
487.17020	6.9
490.19733	45.2
491.20102	5.4
492.21204	7.8
522.22412	14.4
523.23077	3.1
567.25677	2.2
594.24426	2.1
595.25494	12.3
596.24615	1.3
608.26031	2.1
611.24597	3.4
612.25354	8.2
613.26544	100.0
614.26782	14.2
634.23517	2.4
645.29376	10.2
652.25049	26.4
653.25623	13.5
654.26550	7.2
656.41278	1.0
684.27710	6.2
685.28992	4.8
757.31055	1.2
775.31787	18.8
776.32031	4.7
807.34796	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	807.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.1
67.05516	4.8
69.03428	5.1
79.05508	4.2
81.03429	5.2
81.07053	2.5
83.08612	2.1
84.04514	1.7
84.63439	1.4
85.02905	5.2
87.02054	1.5
91.05484	3.6
92.11066	1.4
93.07058	5.1
94.06578	6.0
95.07366	4.5
96.08120	8.2
97.02905	3.1
100.07613	2.1
100.11275	3.8
103.05476	1.5
105.07050	1.9
105.93498	1.4
106.06583	2.3
107.07365	3.2
108.04482	1.8
108.08119	19.6
110.09673	13.1
111.04466	3.0
116.05019	1.4
118.06507	2.4
120.04492	2.4
120.08119	15.3
121.06493	2.7
122.06015	13.9
122.09713	3.6
124.07619	6.6
127.03965	2.6
128.07114	2.8
132.08084	1.7
134.06088	3.5
136.07579	30.8
138.09143	23.5
140.07156	1.4
144.04512	3.0
144.08098	2.1
146.05981	9.1
148.07581	14.4
150.09152	12.1
152.07076	22.7
153.01828	2.7
160.03978	2.4
160.07553	1.4
162.05544	3.4
164.07109	6.5
165.07411	1.6
166.08632	44.8
167.06993	2.0
167.09007	2.3
172.03922	19.8
172.07709	1.6
174.09134	2.3
176.07133	1.8
181.04926	1.6
182.08188	2.3
182.15448	5.4
190.04973	15.1
197.10693	2.4
198.11420	1.7
204.06549	32.2
205.06743	1.6
210.11598	4.9
210.14896	7.3
211.12361	6.8
212.12987	2.3
218.08191	1.9
223.12335	5.0
224.09305	2.7
225.10300	8.6
226.11015	6.8
227.11800	6.2
229.13496	2.4
235.12363	2.6
236.09502	2.1
237.10210	11.1
238.10936	10.8
239.11818	13.5
243.11369	1.4
246.07559	2.7
249.10339	9.0
250.10980	8.9
251.08913	2.5
251.11765	19.9
252.08926	2.4
252.12422	6.1
253.09755	3.5
253.13322	7.2
255.11296	4.4
256.12061	2.2
257.12979	2.3
259.14474	2.0
262.10947	4.1
263.11826	19.3
264.08838	3.9
264.12360	7.3
265.09714	6.4
265.13269	9.3
266.10403	4.6
266.13605	2.3
267.11285	20.7
268.11960	3.7
269.12805	7.1
271.10782	2.3
271.14465	6.6
273.12354	2.9
277.09723	5.5
278.10489	5.7
279.11252	38.6
280.11801	9.4
281.12805	10.7
282.10019	2.0
282.13281	2.9
283.10727	4.5
284.11615	14.1
285.12326	34.8
286.12796	2.8
287.13904	3.1
289.15329	2.0
291.11255	20.1
292.11911	6.7
293.12805	14.4
294.13260	2.0
295.10815	4.3
296.11475	6.8
297.12329	50.7
297.15540	3.3
298.12808	6.5
299.13867	6.6
307.10831	4.7
309.12296	18.8
310.12933	8.5
311.10370	5.7
311.13791	7.9
312.10556	2.0
313.11902	2.7
319.10724	11.3
320.10977	2.2
321.12354	14.7
322.12912	1.8
323.10300	13.5
323.13858	2.7
324.10858	2.1
325.11780	25.4
326.12411	4.0
327.13303	9.3
330.16064	2.0
337.11859	46.6
338.12097	12.6
339.13287	9.2
341.11215	2.2
343.13028	3.8
355.12875	3.9
356.13196	2.1
357.14499	12.7
358.15112	6.6
359.15646	3.6
367.12967	3.3
368.13284	2.6
369.14371	6.9
370.14984	4.6
371.15744	3.4
373.13953	3.5
376.20514	2.5
385.13705	4.1
387.15417	1.9
392.19299	1.8
399.15604	3.0
400.16467	2.9
402.18100	3.2
403.18707	2.6
404.19696	4.4
406.17682	1.7
414.17621	1.9
418.17410	3.0
422.20654	3.3
430.17642	10.0
432.19122	5.9
442.17200	2.9
446.20557	5.1
448.18622	27.1
449.19144	17.3
450.20309	16.3
460.18698	17.8
461.18945	2.4
462.20139	4.2
472.18961	3.3
474.20288	5.0
476.18073	9.0
477.18643	7.3
478.19531	7.7
480.21097	2.9
487.17175	6.7
489.18399	2.0
490.19644	36.6
491.20105	7.2
492.21271	10.2
520.20325	2.3
521.20923	7.2
522.22083	30.3
523.22736	21.2
524.22949	17.4
535.29150	1.8
567.26154	1.9
578.33636	1.6
585.26971	2.0
594.24921	2.4
595.25275	11.8
608.26172	1.9
611.25000	2.5
612.25397	6.0
613.26544	100.0
614.26953	14.1
634.23511	3.0
645.29065	10.0
646.27625	2.0
652.24896	25.3
653.25629	11.8
654.26727	7.4
684.27661	14.7
685.27960	9.4
686.28162	5.5
775.31610	24.4
776.31616	3.7
807.34882	4.5
807.55261	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	807.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
57.07079	4.7
57.62878	1.1
61.02930	6.7
67.05512	14.1
68.64517	0.9
69.03449	4.5
69.07079	5.6
71.04998	1.5
71.08638	5.5
73.02934	6.4
77.52349	1.1
79.05493	9.6
81.03423	2.7
81.07061	17.0
83.05006	1.8
83.08640	4.6
85.02905	6.2
85.06530	1.3
85.10207	2.0
91.03994	3.3
91.05481	7.2
93.07055	8.2
95.04990	3.9
95.08617	8.5
97.02879	6.0
97.06551	1.3
97.10134	1.6
98.23438	2.2
99.04493	1.6
101.02408	3.3
105.07021	6.1
106.07355	1.5
107.04984	1.2
107.08618	5.9
109.06586	1.8
109.10175	4.4
117.07023	1.9
119.08629	3.3
121.10155	3.0
127.03909	1.7
131.08606	2.3
133.10165	3.5
135.11665	2.5
145.10146	3.2
147.11737	2.6
159.11653	1.3
163.11224	1.2
184.07330	1.6
200.11787	1.1
243.08482	3.9
252.59952	1.1
275.20120	2.8
276.20349	1.6
326.67792	1.4
333.20651	3.8
335.25995	4.9
336.26385	1.7
349.23798	3.3
497.30624	7.0
540.86774	1.2
551.28284	8.4
586.45734	1.4
610.45502	2.2
611.46411	1.9
628.12219	1.5
807.52209	100.0
808.52295	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.5
57.07064	1.1
60.08157	1.3
65.03951	3.2
67.05508	61.5
69.03439	1.7
69.07070	21.0
70.60846	1.0
71.04997	3.8
77.03959	1.1
79.05497	52.4
81.03439	4.4
81.07060	55.4
82.07415	1.2
83.04987	9.3
83.08623	21.1
85.02917	3.3
85.06561	1.5
86.09715	4.5
91.05487	34.5
92.05824	1.4
93.07048	50.5
94.07411	1.2
95.04974	47.8
95.08610	40.1
97.06559	5.3
97.10164	9.7
99.04460	3.7
105.04514	1.5
105.07040	26.8
106.07350	1.2
107.04947	8.2
107.08598	33.1
109.06516	5.4
109.10166	17.8
111.04461	7.4
111.08051	4.8
115.05484	1.0
117.07015	10.1
119.08594	18.7
121.06519	3.3
121.10152	18.6
123.08091	4.1
123.11710	5.7
124.99982	5.6
125.09626	8.3
129.07024	3.2
131.08572	15.2
133.06544	1.1
133.10127	14.0
135.08038	5.0
135.11705	11.5
137.09656	3.1
139.11194	2.2
142.07814	0.9
143.08617	1.2
145.06525	1.2
145.10126	15.9
147.08012	2.3
147.11702	9.0
149.09625	17.5
149.10722	1.5
149.13307	5.0
151.11206	2.1
153.09167	1.2
153.12804	1.0
155.08557	1.9
157.10147	3.0
159.11658	8.8
161.09616	1.8
161.13225	4.1
163.11194	17.3
163.14786	1.5
164.11398	0.8
165.12779	2.4
169.10110	1.3
171.11783	2.7
173.09624	1.4
173.13239	5.0
175.14806	1.6
177.12769	1.9
177.16368	1.1
181.12331	1.0
184.07375	16.5
185.07744	1.9
187.11214	2.6
189.11215	7.3
205.12270	2.7
223.13300	32.1
224.13661	1.7
229.19586	1.4
239.18042	2.6
243.21100	2.3
247.20590	1.8
257.18948	5.0
259.20486	1.2
261.22134	5.2
275.20071	46.1
276.20465	3.2
277.21539	1.0
293.21091	31.0
294.21378	1.2
311.22061	1.2
317.24841	2.4
335.25809	100.0
336.26096	7.7
349.23721	10.9
367.24805	22.3
368.25137	1.3
505.09802	0.9
609.45148	10.8
610.45795	2.1
627.46204	56.0
628.46454	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88886	1.3
57.03452	10.2
57.07080	1.7
65.03937	4.8
67.05508	56.7
69.03424	3.4
69.07073	25.3
71.04996	5.8
71.27914	1.5
76.08242	1.1
79.05494	54.7
81.03410	5.0
81.07058	59.4
82.07363	1.9
83.04987	12.6
83.08623	24.7
85.02903	3.8
85.06554	1.8
86.09696	2.9
87.57987	1.2
91.05482	39.4
93.07047	61.7
95.04968	74.4
95.08603	43.9
96.05309	1.7
97.06531	6.9
97.10178	13.3
99.04456	5.1
103.05475	1.9
105.04552	1.6
105.07030	32.2
107.04967	9.7
107.07865	2.2
107.08595	39.8
109.06520	7.1
109.10160	21.1
111.04430	14.5
111.08064	4.5
117.07009	11.3
119.08590	25.0
121.06517	4.8
121.10140	25.7
123.08065	6.7
123.11703	5.8
125.00002	1.7
125.09635	10.4
128.32581	1.3
129.06982	3.4
131.08566	17.4
133.06439	1.5
133.10123	22.5
135.08067	5.3
135.11668	13.7
137.09570	2.6
141.06995	1.4
143.08578	2.6
145.10129	21.4
147.08051	3.7
147.11682	11.9
149.09610	26.2
149.13234	4.3
151.11206	2.1
153.09094	1.3
153.12790	2.1
155.08577	2.3
157.10165	3.1
159.11681	11.6
161.09648	1.6
161.13266	5.2
163.11176	26.1
163.14827	2.2
165.12758	2.8
169.10207	1.7
171.10243	2.1
171.11684	2.9
173.09619	1.4
173.13223	7.2
177.12787	4.0
181.12244	1.9
183.11697	2.6
184.07381	8.5
185.07817	1.5
185.13255	2.2
187.11153	2.2
187.14822	3.6
189.11247	10.4
193.02339	1.3
197.13222	2.1
205.12306	5.4
211.13246	1.4
223.13284	60.7
224.13614	2.0
227.12775	2.0
229.19527	2.4
239.17896	2.6
243.21179	1.4
247.20610	2.6
257.18970	9.5
261.22363	6.4
275.20059	66.9
276.20532	4.2
293.21118	42.8
294.21606	2.2
311.22363	1.6
317.24844	3.2
335.25809	100.0
336.26245	7.9
349.23654	15.8
350.23843	1.9
367.24768	44.4
368.25064	2.4
609.45343	11.6
610.44867	1.8
627.46198	77.1
628.46594	10.5
787.40552	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	808.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	14.0
58.77258	12.7
60.37801	12.8
67.05511	100.0
71.11985	13.4
71.12329	31.9
79.05485	69.2
81.07063	96.7
82.07404	16.5
86.09710	26.3
89.84969	13.6
91.05488	62.3
93.07040	90.4
95.08617	59.1
97.06504	15.7
104.75394	14.9
105.07037	55.5
107.08589	36.0
109.10179	14.7
117.07061	18.1
119.08585	25.5
121.10131	33.7
131.08612	26.9
133.10159	49.4
135.11693	23.0
145.10153	20.1
147.11702	38.5
156.21257	17.2
159.11702	31.3
161.13268	22.0
161.68503	16.2
173.13361	16.2
183.77318	15.0
184.07367	99.2
259.20679	40.6
333.24243	47.8
335.25839	53.2
611.45935	57.6
759.77673	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	19.4
57.07070	5.3
61.02927	5.5
65.03938	6.3
67.05507	96.6
68.05836	2.4
69.03443	6.0
69.07069	27.4
71.05000	6.2
71.08613	2.3
73.02922	1.7
79.05496	65.4
80.05828	2.8
81.03421	4.1
81.07058	100.0
82.07389	2.4
83.04980	6.3
83.08618	17.7
84.99085	1.6
85.02931	3.5
85.06553	7.6
86.09670	1.4
91.03970	2.5
91.04895	2.5
91.05477	51.7
92.05807	1.8
93.07045	76.7
94.07397	3.4
95.04984	7.2
95.08609	72.6
96.08927	2.3
97.02891	8.4
97.06521	7.2
97.10164	6.6
103.05445	1.7
105.04514	2.1
105.07032	42.6
107.04969	2.0
107.08595	50.1
109.06538	6.4
109.10156	35.9
111.08062	5.1
111.11732	2.6
117.07024	13.4
119.08582	35.7
120.08900	1.7
121.06577	2.2
121.10139	33.9
123.08123	1.6
123.11727	9.6
125.09628	6.1
128.06261	1.5
129.06987	7.0
131.08569	19.8
133.10135	27.8
134.10545	1.6
135.08093	2.4
135.11699	22.4
136.12123	1.6
137.09624	3.2
143.08560	5.0
145.10118	20.2
147.11687	20.5
149.13257	12.9
157.10158	5.9
159.11684	16.6
161.13266	13.4
163.11194	2.8
163.14836	4.6
171.11726	5.6
173.11818	3.1
173.13301	6.6
175.14839	5.7
177.12749	1.9
177.16333	1.6
179.14331	2.1
183.11784	1.7
184.07364	6.2
185.13278	6.0
187.14830	6.0
189.11218	2.0
189.12784	1.8
193.30391	1.4
195.13857	1.8
199.14899	3.5
205.15904	2.3
213.16299	2.1
217.19736	1.3
227.12808	5.7
229.14433	4.3
231.21094	2.1
239.17986	1.3
241.19632	6.8
243.21114	3.1
257.19037	3.1
259.20581	19.9
261.22076	8.5
275.20181	3.9
277.21643	18.9
293.21063	2.5
295.22684	1.8
317.24472	2.5
333.24240	10.2
335.25803	97.7
336.26208	10.6
337.27130	4.5
349.23703	2.2
351.25241	34.2
352.25613	2.8
368.68555	1.4
489.35617	4.3
529.38678	2.1
593.45776	1.9
605.46741	1.7
611.46637	35.1
612.46857	5.5
629.47913	1.9
630.47443	1.7
637.61322	1.6
808.52673	32.3
809.51910	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	809.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72517	0.1
63.02400	0.2
65.03934	2.5
67.01872	0.1
67.05506	0.2
68.15378	0.1
69.07053	0.1
72.72510	0.1
79.05491	0.2
79.65192	0.1
81.03417	0.4
81.07065	0.4
88.24512	0.1
89.03933	0.2
91.05480	18.3
92.05806	0.4
94.04181	0.6
95.04964	0.2
96.55339	0.1
97.02917	0.2
98.23416	0.5
102.40208	0.1
105.07011	0.4
107.04949	0.2
109.02875	0.8
109.06583	0.2
114.29193	0.1
115.05471	0.3
117.03432	0.2
117.06965	0.2
119.04942	32.3
120.05278	1.0
122.03628	1.1
127.03913	0.3
129.31728	0.1
130.04124	0.3
131.04926	0.2
133.06493	0.3
133.10135	0.2
137.05972	12.4
138.06274	0.3
143.04900	0.3
145.02812	0.2
145.06500	0.3
146.03566	0.3
147.04405	100.0
148.04744	3.4
149.05907	0.3
150.06874	0.1
151.03883	0.9
157.06573	0.2
158.03635	0.5
161.05989	1.2
162.06760	0.5
167.07126	0.3
171.04367	0.3
173.05971	1.6
175.03885	0.2
177.05496	0.4
177.06960	0.3
178.07774	0.4
183.04518	0.2
185.05943	0.3
186.03104	0.8
187.56735	0.2
189.06898	0.8
191.08549	0.2
201.05464	12.5
202.05780	0.5
203.08672	0.3
205.06505	1.4
206.07213	1.5
213.05528	1.2
217.06474	0.6
217.26306	0.2
218.07430	0.4
219.08119	0.3
220.05219	0.3
221.05919	0.3
221.09608	0.2
222.06715	0.5
223.07610	0.3
231.06400	1.0
233.06055	1.0
234.06750	4.5
235.07460	1.4
237.05434	0.2
237.09065	0.6
244.05220	0.3
245.05954	1.1
246.06615	0.3
247.07547	0.4
248.08261	0.3
249.05626	0.2
249.06807	0.2
249.09074	1.4
250.06290	0.6
251.07008	0.7
259.07587	0.5
260.88010	0.1
261.05463	0.7
262.06256	5.0
263.06915	1.4
264.07825	0.5
265.08582	1.3
266.09280	0.4
272.04742	0.3
273.05078	1.5
273.07697	0.6
274.06097	0.7
275.06992	0.2
276.07843	0.7
277.05487	0.3
277.08594	4.7
278.06015	0.3
278.09164	0.5
279.06519	1.0
279.09369	0.2
280.07108	0.4
287.07001	0.8
288.07452	0.2
289.04941	0.5
290.05728	7.7
291.06238	0.7
291.10034	0.3
292.07324	0.9
293.08130	1.4
294.08960	0.7
295.09708	0.6
298.11536	0.1
304.07275	0.5
305.08069	11.4
306.08508	1.1
307.06021	0.6
307.09628	1.6
309.11179	0.6
310.08282	0.2
319.09656	1.2
321.07535	0.2
322.08456	1.0
323.08963	0.3
325.10706	4.2
326.10901	0.3
337.10678	25.5
338.11005	2.1
354.11017	0.5
355.11768	3.2
356.12051	0.2
419.11285	0.2
601.26099	0.2
654.72015	0.2
670.04877	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	809.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59059	0.6
63.49143	0.6
65.03954	3.7
67.05515	1.9
69.07059	0.7
78.04725	2.4
79.05522	2.7
81.03416	2.8
81.07075	2.1
82.04208	1.3
83.08598	0.7
85.02913	1.2
89.03912	3.0
91.05483	19.5
92.05818	0.7
93.03372	0.7
94.04182	0.5
95.04965	2.2
96.75773	0.6
97.02908	0.9
97.06544	0.8
103.05474	2.9
106.04184	2.4
107.04976	2.1
109.02910	0.8
110.03607	1.0
111.04440	1.1
115.05454	5.9
117.03375	8.8
117.07018	10.2
119.04947	30.0
119.08556	1.3
121.06547	0.9
122.03649	1.0
123.04430	7.1
124.05251	3.4
125.05997	1.5
127.05452	0.8
129.06978	0.5
131.04933	1.0
133.02817	3.6
133.06543	0.9
134.03580	0.8
135.04427	0.8
137.05974	8.5
137.09604	0.8
142.02603	1.1
145.02861	15.7
145.06488	12.3
146.06735	0.6
147.04414	96.0
148.04723	3.2
149.05965	3.1
151.03926	2.6
151.78552	0.7
152.04660	2.4
153.05455	2.5
155.06035	5.3
161.06030	1.4
165.05519	0.7
167.07048	100.0
168.07375	2.4
171.06480	1.5
173.05997	26.3
173.07497	1.3
175.03998	0.9
175.07494	0.8
176.58583	0.6
177.05479	30.6
178.05817	1.0
179.07057	1.5
181.04965	35.4
182.05272	0.8
201.05478	2.3
203.07069	1.7
205.08606	6.3
231.06451	1.3
233.08113	5.2
234.06606	1.0
235.07460	1.0
235.09625	5.2
263.06924	0.9
264.76215	0.6
265.08591	1.2
267.15948	1.6
273.07648	1.2
277.08600	1.3
283.09525	0.8
291.19431	1.2
293.08017	1.1
305.08038	1.7
310.08255	0.7
325.10657	2.6
337.10812	2.8
355.12039	1.3
357.13208	2.5
385.08340	1.1
385.12881	16.6
386.13321	1.2
387.14297	5.6
417.15463	9.5
557.34369	1.0
558.34656	1.2
576.35974	0.7
583.21466	2.5
613.22797	66.1
614.23151	7.3
685.55646	0.6
738.61981	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	809.4085
Annotation	Leurosine
Peak:m/z	Relative Intensity
57.03448	0.9
61.02934	1.6
67.05506	4.8
69.03435	1.2
69.07059	0.9
69.55520	1.7
71.05003	1.1
73.02930	1.4
73.19155	0.5
79.05494	4.2
81.03004	0.6
81.03414	2.4
81.07064	6.0
83.05012	0.8
83.08633	0.8
85.02919	1.6
91.03965	1.2
91.05478	3.5
93.07058	3.0
95.04986	1.4
95.08617	1.8
97.02906	1.8
97.06554	0.8
98.04269	0.5
98.23276	0.6
101.02412	0.9
105.07051	3.1
107.05013	0.6
107.08632	1.7
109.06551	0.9
109.10178	1.8
111.08110	0.9
117.06998	0.5
119.08607	2.0
121.06554	0.7
121.10174	2.5
125.09669	0.7
127.03946	0.8
129.07021	0.8
131.08649	1.0
133.10162	1.5
135.11705	0.8
145.10130	0.9
147.11723	1.4
149.09656	1.7
157.10168	1.0
159.11806	0.6
159.59850	0.6
163.11198	1.2
184.07375	0.8
193.12296	1.1
227.12680	0.7
243.08493	1.5
260.75665	0.6
267.15948	0.6
283.15326	0.7
347.21811	0.7
485.17233	0.8
501.23108	2.8
517.20343	1.2
533.94232	0.6
549.25909	0.7
576.39447	0.7
595.34125	0.8
613.70782	0.6
705.37915	1.2
711.35425	1.0
765.43872	0.7
777.39056	1.2
791.41522	2.3
809.41351	100.0
810.41656	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	809.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.05014	0.8
61.02935	4.7
67.05513	4.0
69.03424	2.8
69.07085	2.2
71.05000	1.2
73.02930	2.9
79.05512	3.5
80.94855	0.7
81.03422	4.5
81.07067	4.7
83.04994	1.2
83.08653	1.7
85.02904	3.0
86.09731	1.5
91.03979	2.2
91.05476	3.1
91.63571	0.5
93.07034	4.0
95.04996	2.1
95.08640	1.5
95.68607	0.6
97.02890	4.1
97.06551	0.6
97.10195	1.1
99.04443	1.0
101.02379	1.5
105.07070	2.8
107.04971	1.0
107.08601	2.1
107.33525	0.5
109.02885	0.6
109.10188	1.5
111.08076	0.8
119.08616	2.0
120.72287	0.6
121.10187	1.8
125.00041	1.3
127.03950	1.0
129.07014	0.9
131.08577	1.4
133.10187	2.5
145.10217	0.9
147.11732	1.6
149.09674	2.4
157.10233	0.7
159.11765	1.1
175.11176	0.7
184.07373	4.7
193.12372	2.6
203.05273	1.0
223.13387	1.1
243.08435	4.2
267.16141	0.9
283.15121	2.9
291.19629	0.9
331.18948	1.8
469.20496	1.0
501.23071	12.1
501.29776	1.0
502.23071	1.1
549.26733	6.6
550.27209	1.4
705.37677	1.0
809.42883	100.0
810.43201	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	809.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	5.1
64.51836	2.0
67.05511	6.9
69.03459	3.5
69.07089	2.9
71.04993	4.5
73.02931	2.9
79.05503	6.0
81.03431	5.9
81.07064	10.7
82.07397	2.4
83.04982	2.5
83.08645	4.1
85.02920	5.2
91.05492	5.6
93.07065	4.8
95.08640	4.1
97.02937	5.2
98.22655	5.2
105.07048	3.5
109.06546	3.4
109.10171	2.3
111.04449	3.4
111.08077	2.3
119.08586	2.8
121.10143	2.9
147.04430	2.7
149.09647	2.6
182.99876	2.3
193.12280	2.5
229.14464	3.6
243.08594	3.7
254.21686	2.2
283.15344	3.7
293.90518	2.2
331.18750	5.4
501.23383	12.1
549.26984	9.1
642.83185	2.4
730.53058	2.5
809.42859	100.0
810.43188	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	809.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.04994	1.1
61.02934	4.0
67.05508	7.0
69.03444	3.1
69.07065	2.7
69.52042	2.4
71.05010	2.8
73.02927	3.2
73.45190	0.5
77.27189	0.5
79.05499	5.6
81.03420	4.6
81.07056	6.7
83.05008	1.7
83.08627	1.5
85.02895	3.6
85.06561	0.8
88.53775	0.5
91.03984	1.5
91.05491	6.0
93.07042	5.7
95.04979	2.6
95.08621	3.8
97.02882	4.1
97.06545	1.7
98.23325	1.0
99.04468	0.7
101.02415	0.9
105.07027	4.0
107.04998	2.0
107.08603	3.4
109.06541	1.0
109.10148	2.7
111.08103	1.0
115.03906	0.6
115.05437	0.5
117.07078	0.6
119.08557	3.1
121.10176	1.8
121.97426	0.5
123.08076	1.1
127.03962	1.1
129.07063	1.6
131.08574	2.8
133.10124	2.7
135.11757	1.4
137.09665	0.8
142.80969	0.6
145.10193	1.2
147.08037	0.5
147.11690	1.6
149.09676	2.2
151.11212	0.8
157.10150	1.3
161.99112	0.5
163.11282	0.9
175.11273	1.6
184.07347	0.6
185.04308	0.5
193.12332	1.4
219.77266	0.5
233.86063	0.5
243.08463	3.0
255.15894	0.7
267.16101	1.1
268.16504	0.5
273.18521	1.2
283.15195	2.7
287.18658	0.8
291.19492	0.9
313.17795	0.6
331.19098	1.3
408.94464	0.6
451.19656	1.7
501.23087	13.2
502.23529	0.7
531.25977	1.4
537.29688	1.1
549.26917	2.1
555.30798	0.6
563.31805	1.0
573.25391	1.1
595.34137	0.9
617.29425	0.7
697.46674	0.7
711.35785	2.1
791.41663	9.0
792.41577	1.3
809.42371	100.0
810.42651	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	809.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
61.02928	4.6
62.76810	0.4
63.95008	0.4
67.05505	6.5
67.05836	0.5
69.03426	3.0
69.07073	1.6
69.49986	0.4
71.01316	0.5
71.04997	5.9
73.02924	3.9
77.12127	0.4
79.05507	3.6
81.03413	2.4
81.07063	9.6
83.04992	0.6
83.08647	0.7
84.11452	0.5
85.02900	4.4
85.03284	0.4
85.06554	0.7
86.09731	1.2
91.03963	2.6
91.05492	4.7
93.07040	4.0
95.04998	1.3
95.08612	2.1
97.02897	4.3
97.06542	1.4
99.04476	0.7
99.08102	0.4
101.02395	1.9
105.07026	3.0
107.04957	0.5
107.08609	2.5
109.02912	1.0
109.06554	1.3
109.10181	0.8
111.08113	0.6
117.07043	0.8
119.08623	1.2
121.10163	1.4
123.11724	2.0
125.00043	1.2
127.03912	1.2
131.08545	1.0
133.10123	2.8
135.11674	0.7
143.79730	0.4
147.11745	0.6
149.09653	0.6
149.13319	0.5
151.11201	1.0
159.11771	0.8
163.11157	0.6
184.07353	4.7
187.13321	0.6
192.26849	0.5
203.05374	0.4
243.08397	3.2
243.16144	0.6
257.17636	0.6
267.15836	1.2
275.20273	0.7
314.19153	0.4
347.21951	3.9
368.60114	0.5
403.24667	0.8
423.20023	0.9
447.67719	0.4
481.20352	3.2
485.23618	10.9
486.24344	0.6
490.61914	0.4
565.29840	5.4
566.29980	0.5
709.47009	0.4
725.37341	1.4
809.46552	100.0
810.46820	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	0.4
59.14862	0.2
60.08165	6.4
66.94791	0.2
67.05506	0.5
69.02647	1.4
69.03066	0.6
71.07378	4.5
79.05495	0.3
86.09708	33.6
87.10046	0.8
93.07067	0.2
95.08611	0.3
98.98463	3.9
104.10752	3.1
125.00007	21.3
166.18898	0.2
184.07346	100.0
185.07706	2.7
186.07811	0.3
203.42836	0.2
262.34418	0.2
504.45834	0.3
810.52924	5.6
811.52057	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	811.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.2
57.03423	0.8
61.02915	0.8
67.05515	1.4
69.03423	0.6
70.22427	1.0
73.02920	0.5
79.05499	1.4
81.03429	1.2
81.07066	1.6
85.02903	1.2
85.76495	0.5
91.03957	0.5
91.05501	1.0
93.07056	1.5
95.04989	0.9
95.08603	0.9
97.02926	0.4
98.97600	0.7
101.02399	0.5
105.07027	1.1
107.08632	1.2
109.10142	0.5
112.99143	0.6
121.06522	0.7
121.10127	0.4
124.08393	0.4
131.00186	1.0
131.08601	0.6
135.11668	0.5
135.79114	0.4
145.10097	0.5
147.87265	0.4
149.01270	1.2
153.61310	0.5
175.52156	0.4
184.07410	1.0
188.27609	0.4
230.04982	0.5
243.08913	0.9
249.08104	0.4
255.09232	1.0
267.09006	3.8
273.10355	0.9
285.10056	4.1
286.10464	0.5
293.05490	0.7
295.08408	0.4
297.10211	0.5
301.09189	0.7
303.57742	0.4
309.10193	0.8
318.14548	0.5
322.76938	0.6
347.15393	1.4
365.16489	1.7
395.04404	0.4
461.17087	0.5
467.18668	0.8
469.20572	0.8
473.17319	0.7
485.16940	3.6
565.23486	0.8
583.24683	1.4
724.29553	0.6
733.49762	0.5
767.76105	0.5
793.38800	1.3
811.38885	100.0
812.39282	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19770	1.4
71.29272	1.8
78.24492	1.4
81.03455	1.6
81.07111	1.6
91.05513	1.6
93.05099	1.5
93.07064	2.2
102.37836	1.4
112.51733	1.5
120.64526	1.7
174.77222	1.5
184.07397	5.7
245.39957	1.9
395.68881	1.7
436.07950	1.6
641.31427	3.7
699.34760	2.1
707.40027	2.8
775.45465	2.1
811.42462	100.0
812.42596	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	811.4223
Annotation	Vinblastine
Peak:m/z	Relative Intensity
57.03452	0.9
61.02942	2.0
67.05510	4.1
69.03448	1.4
69.07082	1.6
69.73663	0.5
70.42719	1.2
71.05005	1.1
73.02934	0.9
79.05513	3.1
81.03438	1.8
81.07057	3.7
83.04989	0.9
83.08633	1.0
85.02919	1.2
86.09743	0.8
91.05487	2.4
93.07079	2.3
93.86490	0.5
95.05005	1.0
95.08616	1.1
96.35732	0.5
97.02929	1.7
98.14693	0.5
100.49789	0.5
100.65956	0.5
105.07064	1.8
107.05000	0.6
107.08624	1.3
109.06538	0.6
109.10206	1.8
117.07092	0.6
119.08599	0.6
121.10169	0.8
129.07053	0.6
133.10173	0.9
135.08116	0.5
143.08606	0.5
147.11740	0.7
149.38409	0.5
184.07466	1.2
194.47218	0.5
269.69592	0.5
465.21472	0.6
501.22354	1.5
551.28125	0.7
641.31726	0.8
649.45697	0.7
693.80438	0.7
707.39056	0.8
713.35846	0.6
725.38141	0.6
765.41431	0.8
775.42963	4.4
793.42584	1.6
811.42621	100.0
812.42914	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	811.4229
Annotation	Vinblastine
Peak:m/z	Relative Intensity
61.02933	0.6
67.05518	1.8
68.85064	0.5
69.61561	0.5
70.20348	0.4
72.74696	0.4
79.05505	0.9
81.07076	1.4
85.02886	0.5
91.05491	0.8
93.07076	0.7
93.63335	0.4
97.02930	0.6
105.07067	0.8
109.10197	0.6
178.48909	0.4
184.07451	0.6
212.88617	0.5
239.23117	0.5
458.22467	0.4
481.75693	0.5
501.21271	1.3
567.25977	0.9
629.17358	0.5
632.48328	0.6
707.39874	0.9
710.22992	0.6
727.40063	0.5
793.42126	0.6
811.42450	100.0
812.42767	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	2.8
66.49074	1.3
67.05499	2.4
69.05566	7.9
71.07378	1.0
71.08634	1.5
79.05489	1.7
80.10207	1.3
81.07046	2.2
86.09708	14.7
87.10040	1.8
93.07047	1.5
95.08601	4.6
98.22533	2.4
98.98454	2.1
105.07052	1.4
125.00018	8.7
184.07358	40.3
185.07712	3.5
224.13713	1.1
313.27380	2.3
390.11227	1.1
453.35855	3.1
467.85403	1.1
587.69836	1.6
678.34473	1.3
707.37671	100.0
708.37708	14.5
811.42181	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	811.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	0.4
57.03447	1.7
59.04996	0.6
61.02930	4.1
67.05512	3.5
69.03438	3.3
69.07085	1.4
70.23433	0.5
70.23762	0.9
71.05006	1.6
73.02917	3.2
75.04472	0.4
79.05503	3.4
81.03431	5.0
81.07066	3.2
83.04994	1.4
83.08632	1.7
85.02911	4.2
85.99126	0.4
86.09737	0.4
91.03955	1.9
91.05486	4.1
92.83351	0.3
93.07042	3.2
94.95147	0.4
95.04956	2.2
95.08598	2.4
96.99302	0.4
97.02903	3.2
97.06542	0.9
97.10192	0.7
98.22747	0.5
99.04485	1.4
101.02399	1.6
105.07030	2.9
107.04980	0.9
107.08613	2.2
109.10183	0.4
111.04485	1.4
111.08108	0.8
115.03947	0.4
117.07043	0.5
119.08594	2.2
121.10159	2.6
123.08096	0.5
125.09659	0.4
127.03876	0.9
129.07072	1.1
131.08566	2.5
133.10167	1.4
135.11734	0.7
139.11201	0.4
145.10101	0.5
147.11761	1.0
149.02364	0.7
149.09633	2.1
157.10165	0.9
159.11743	0.4
163.11246	1.2
166.19641	0.4
175.11212	1.0
193.12294	1.0
243.08446	3.1
263.18594	0.4
267.16077	0.8
275.20093	0.5
283.15179	2.2
287.65964	0.4
333.20502	1.7
339.17691	0.9
352.77112	0.4
360.97952	0.4
377.90326	0.4
389.23178	1.1
418.77951	0.5
440.32645	0.4
501.23047	11.1
502.23752	0.5
551.28253	7.2
552.28839	0.8
562.16052	0.5
624.96429	0.5
643.57190	0.4
649.76953	0.5
759.12958	0.4
811.44489	100.0
812.44861	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	811.445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46566	0.5
57.03442	1.7
58.67393	0.5
59.04995	0.6
61.02934	4.7
67.05511	2.8
69.03439	3.6
69.07089	1.1
69.28826	0.4
70.04022	1.4
71.05006	1.7
73.02926	2.8
73.56281	0.4
79.05502	3.9
81.03418	3.4
81.07067	6.1
83.04977	0.8
83.08635	1.1
85.02908	4.5
85.06582	0.4
87.04466	0.8
91.03964	2.5
91.05484	3.8
93.07046	3.2
95.04993	1.9
95.08630	2.0
97.02905	4.0
97.06562	1.4
99.04450	1.0
101.02420	1.3
105.07031	2.6
107.04963	0.5
107.08633	1.7
109.02880	0.5
109.06517	0.7
109.10228	0.6
111.08081	0.9
113.06100	0.5
119.08621	1.7
119.83035	0.4
121.10197	1.6
123.11676	0.4
127.03953	1.3
128.81898	0.5
129.07074	0.7
131.08629	2.0
133.10172	1.3
134.23912	0.4
141.88803	0.5
147.11731	1.9
149.09674	1.4
157.10202	0.8
175.11229	1.3
185.54326	0.5
193.12318	1.0
203.05347	0.6
225.15010	0.5
243.08374	3.8
245.23892	0.5
267.16086	0.6
270.62488	0.5
283.15213	3.2
301.08954	0.5
333.20334	2.3
339.17819	1.1
371.33688	0.5
389.22971	0.8
423.20209	0.7
426.48419	0.5
457.19763	0.5
469.20795	0.5
489.00024	0.6
501.23123	14.7
502.23578	0.8
551.28217	8.5
552.28772	0.9
573.26111	0.5
702.15833	0.5
787.98334	0.7
811.44501	100.0
812.44757	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
61.02925	8.6
67.05492	8.5
69.03424	4.8
69.07061	2.7
71.04987	1.2
73.02920	5.7
79.05496	5.8
81.03408	2.5
81.07056	10.8
83.08649	1.4
85.02905	6.3
86.09723	6.4
87.04448	1.5
91.03961	3.6
91.05511	4.2
93.07046	8.0
95.04974	1.5
95.08607	7.8
97.02873	7.6
97.59611	1.2
101.02402	2.7
105.07050	3.8
107.08571	3.1
117.07047	1.8
119.08597	2.6
121.10183	3.3
123.54298	1.3
125.00004	4.4
127.03937	2.4
131.08627	2.5
135.11679	1.8
139.84187	1.3
146.23384	1.4
158.74307	1.4
184.07349	15.9
243.08496	2.5
315.19525	5.4
326.62787	1.6
484.99765	1.4
519.29254	9.2
533.27185	6.5
683.21466	1.5
713.88300	1.5
811.49646	100.0
812.49915	17.1
830.41650	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	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.2
57.07058	0.1
58.06623	0.5
59.07402	0.1
60.08165	7.2
61.02924	0.1
67.05506	1.2
69.02742	0.9
69.07065	0.4
70.06599	0.2
71.07372	4.6
71.08685	0.1
72.30054	0.1
73.87393	0.1
74.60958	0.1
79.05496	0.6
81.07050	0.8
83.08627	0.1
86.09707	38.9
87.10043	0.6
88.03462	0.1
91.03945	0.1
91.05486	0.4
93.07047	0.5
95.04980	0.1
95.08601	0.4
98.98468	4.6
104.02779	0.1
104.10748	3.1
105.07040	0.2
107.08630	0.3
109.10197	0.2
119.08559	0.3
121.10126	0.2
125.00005	26.9
126.00359	0.3
137.61873	0.1
143.01051	0.3
184.07343	100.0
185.07704	1.9
281.70203	0.2
293.21014	0.2
323.25906	0.4
361.17505	0.1
597.45282	0.2
615.45557	0.2
629.46490	0.2
641.43469	0.4
794.52808	0.2
812.54156	2.6
813.52118	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	812.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91603	0.2
58.06357	0.2
58.06606	0.4
60.08162	6.5
67.05505	0.2
68.50344	0.2
69.13565	1.1
69.13973	0.4
70.06553	0.2
71.07372	3.9
77.83639	0.2
77.94619	0.2
86.09705	31.7
87.10056	0.4
91.05499	0.2
92.46210	0.2
93.07037	0.2
98.98457	3.9
98.99467	0.2
104.10753	2.1
105.07045	0.3
116.33845	0.2
125.00005	21.8
139.47920	0.2
143.01048	0.3
143.69022	0.2
184.07339	100.0
185.07684	1.5
329.34659	0.2
339.79767	0.2
708.37451	0.7
776.52051	4.1
777.50842	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	812.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06370	0.3
58.06637	0.6
59.07408	0.3
60.08171	6.2
67.05508	0.5
71.07377	3.8
71.08644	0.2
71.27586	0.2
79.05482	0.3
80.14058	0.2
81.07095	0.3
86.09713	30.3
87.10052	0.7
91.05485	0.3
93.07037	0.3
95.08607	0.4
98.98474	3.8
104.10754	2.9
105.07102	0.2
108.11569	0.2
125.00014	21.9
126.00404	0.2
136.06155	0.2
143.01070	0.3
184.07353	100.0
185.07726	2.1
215.12625	0.2
313.27341	0.3
749.62866	0.2
788.52728	0.2
794.53284	6.5
795.53040	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	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06636	0.5
59.07404	0.1
60.08165	5.0
62.18269	0.1
66.56138	0.1
67.05496	0.3
69.03177	0.8
69.19427	0.1
70.06619	0.2
71.07378	3.3
73.38040	0.1
79.05481	0.1
81.07066	0.3
86.09709	25.8
87.10030	0.3
91.05480	0.1
93.07058	0.2
98.98464	2.9
104.10750	2.0
105.07079	0.1
116.37554	0.1
125.00006	18.3
126.00352	0.1
127.29181	0.1
131.70499	0.1
136.21249	0.1
143.01079	0.2
163.04021	0.1
184.07349	100.0
185.07712	1.8
194.46924	0.1
201.84430	0.1
205.31374	0.1
237.11694	0.1
714.46680	0.2
801.42072	0.1
812.40778	0.2
812.54230	2.5
813.53845	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	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06626	0.5
58.42847	0.1
59.07386	0.1
60.08167	6.3
67.05496	0.3
69.07069	0.1
70.06565	0.2
70.36870	0.1
71.07378	4.2
72.97890	0.1
75.66867	0.1
79.05498	0.2
79.10229	0.1
80.97432	0.2
81.07044	0.3
86.09708	31.6
87.10046	0.4
93.07039	0.1
98.98466	4.5
104.10745	2.5
104.11414	0.2
105.07079	0.1
116.99516	0.1
125.00007	22.5
138.19637	0.1
143.01035	0.3
147.66301	0.1
173.76315	0.1
184.07346	100.0
185.07710	1.8
186.07841	0.2
189.09000	0.1
193.98599	0.1
195.71455	0.1
206.26671	0.1
210.35497	0.1
223.98486	0.1
229.14008	0.1
281.94727	0.1
309.23764	0.1
444.92197	0.1
520.34125	0.2
639.62726	0.1
681.26782	0.1
794.53442	0.3
812.54248	3.6
813.54651	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	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06637	0.5
59.07391	0.2
60.08168	6.1
67.05508	0.2
70.06621	0.2
71.07379	3.8
71.28716	0.1
78.21722	0.1
79.05479	0.1
81.07060	0.2
83.08639	0.1
86.09711	30.7
87.04477	0.3
87.10036	0.5
93.07047	0.1
95.08617	0.2
98.98472	3.6
104.07117	0.4
104.10748	2.7
105.07059	0.1
125.00012	20.9
127.00534	0.1
131.23508	0.1
143.01068	0.2
170.87505	0.1
184.07350	100.0
185.07719	1.8
199.86670	0.1
245.25591	0.1
794.52197	0.4
812.40991	0.2
812.54486	2.7
813.53552	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	812.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.7
60.08164	6.2
66.66040	0.3
69.28967	1.9
71.07382	3.1
81.07041	0.5
86.09708	29.0
87.10027	0.5
98.98456	3.5
104.10748	2.8
125.00012	19.2
136.46513	0.3
165.01265	0.3
166.19302	0.3
172.23172	0.3
184.07347	100.0
185.07733	1.7
233.96291	0.4
369.16409	0.3
687.43640	0.3
794.53345	0.7
812.54376	3.4
813.53540	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	813.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.05003	1.2
60.33441	0.4
61.02932	5.8
61.26994	0.4
67.05509	5.4
68.05833	0.4
69.03430	4.1
69.07072	2.2
70.23409	0.4
71.01334	0.8
71.05000	2.3
71.27856	0.7
73.02930	4.4
74.03230	0.4
75.84992	0.5
79.05492	4.8
80.05825	0.7
81.03425	5.7
81.07066	8.1
82.03741	0.5
82.07398	1.3
83.05006	1.3
83.08624	1.6
85.02910	7.2
85.03426	0.6
85.06565	0.6
86.03247	0.6
86.09731	0.5
87.04462	0.9
91.03951	3.5
91.05479	4.9
92.05804	0.9
93.07050	3.8
94.07360	0.8
95.04979	2.7
95.08645	2.6
95.09172	0.4
96.05304	0.5
96.08933	0.7
97.02901	5.7
97.06528	1.2
98.03229	0.7
99.04465	1.3
101.02396	2.6
103.03961	0.5
105.07059	3.3
106.07361	0.6
107.04943	1.3
107.08595	1.8
109.02863	0.8
109.06519	1.7
109.10196	0.8
111.08067	1.1
111.78129	0.5
117.06979	0.6
119.04905	0.5
119.08593	3.2
120.08878	0.5
121.06539	0.8
121.10126	2.8
122.10529	0.8
123.08074	1.1
123.11689	0.7
127.03896	0.9
129.06989	0.8
130.07382	0.5
131.08588	1.4
132.08899	0.9
133.10159	2.0
139.06604	0.4
140.27615	0.5
144.93378	0.5
145.04942	0.6
145.10178	1.0
147.07936	0.6
147.11671	2.0
148.12027	1.1
149.09636	1.9
149.13385	0.7
150.09941	1.1
157.10173	1.6
158.10413	0.5
159.11723	0.5
175.11234	1.0
176.11548	0.6
184.07358	0.8
184.49568	0.4
185.04256	1.0
193.12282	2.0
203.05296	0.9
225.14827	0.6
243.08440	3.6
244.08765	1.2
251.32072	0.5
259.08023	0.5
268.16342	0.6
283.15167	1.7
284.15610	1.2
322.04694	0.5
333.20407	1.4
334.20621	1.7
335.20950	0.8
339.39246	0.5
469.20700	3.4
501.23093	5.2
502.23398	7.6
503.23715	7.7
549.26581	1.5
551.28223	1.2
552.28564	2.7
553.28937	4.5
585.24213	0.7
685.35760	0.6
777.40454	0.8
812.31702	0.7
812.44946	8.7
813.46277	100.0
814.38800	4.7
814.44025	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	813.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
57.66820	0.4
61.02933	4.1
61.39733	0.5
67.05508	4.5
69.03425	3.3
69.07085	2.6
71.05019	1.1
73.02919	2.7
74.24963	0.5
79.05502	4.3
81.03433	4.6
81.07080	4.3
83.05007	1.2
83.08652	1.8
85.02914	5.1
91.03978	2.6
91.05479	3.4
93.07044	4.0
95.04989	2.4
95.08637	1.6
97.02908	3.9
97.06562	1.0
97.10224	1.2
97.87937	0.5
99.04459	0.9
101.02431	1.8
105.07044	2.9
107.04962	0.8
107.08649	2.2
109.02882	0.7
109.06596	0.5
109.10203	0.6
117.07006	0.5
119.08623	1.7
121.06510	3.1
121.10152	3.1
122.06865	1.0
123.08100	1.1
125.09676	1.7
127.03922	1.4
129.05457	0.7
129.07050	1.0
131.08632	1.5
133.06564	0.5
133.10162	1.1
135.11801	0.7
139.11230	1.0
141.47777	0.5
147.11691	1.0
149.09668	2.2
162.66655	0.6
163.11165	1.2
175.11253	0.9
184.07382	1.0
193.12331	1.5
201.03699	0.6
243.08406	4.3
251.12645	0.7
267.15973	0.7
269.13654	1.5
291.19757	0.7
301.08957	1.3
313.08936	0.8
315.10556	0.7
349.19824	3.0
385.18451	1.1
443.18991	6.1
451.19592	0.6
469.20398	2.8
470.21341	0.6
487.21570	7.3
488.22125	0.8
559.23999	0.7
567.27844	7.2
568.28900	0.8
569.29718	0.8
584.11798	0.5
767.90234	0.5
769.40869	1.9
795.41180	1.8
813.42419	100.0
814.42914	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	813.4904
Annotation	Glabrin C
Peak:m/z	Relative Intensity
59.23771	0.8
59.75326	1.0
74.56539	1.0
77.53202	0.9
86.09731	3.0
98.22576	2.6
107.84205	1.1
116.95260	0.9
125.00024	1.5
137.86258	0.9
169.22299	1.3
184.07326	10.5
412.53061	1.0
415.50272	1.1
535.27020	1.6
813.49066	100.0
814.49249	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	813.511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99668	0.8
57.03442	2.2
57.07079	0.7
60.08164	2.6
61.02930	6.5
67.05506	5.5
69.03434	2.9
69.07076	1.1
70.95998	1.0
71.07368	2.0
73.02911	4.0
75.58312	0.9
79.05514	4.4
81.03432	2.0
81.07053	6.2
85.02888	4.0
86.09706	16.0
86.10175	1.2
86.10586	0.7
87.04440	0.8
87.10020	1.2
91.03947	2.5
91.05492	2.8
93.07040	5.8
95.08612	4.3
97.02908	4.2
98.98487	2.7
101.02361	0.9
104.10767	0.8
105.07054	2.2
107.08610	1.7
109.02901	1.3
109.10155	1.1
119.08598	2.5
121.10150	2.1
125.00014	11.4
125.00879	1.1
127.03977	1.6
133.10144	1.4
135.11674	0.9
147.11705	1.0
148.61961	0.7
159.11705	1.1
184.07347	52.0
185.04321	1.2
185.07741	3.7
191.91934	0.7
232.04898	0.8
243.08527	2.8
259.85217	0.7
313.27557	0.9
471.17416	0.9
519.29358	8.6
535.28894	5.8
556.09015	0.7
813.51184	100.0
814.51538	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	814.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.3
60.07854	0.3
60.08165	6.6
67.05512	0.4
68.66456	0.3
69.37732	1.0
69.38155	0.8
71.07381	4.4
75.86571	0.3
81.07018	0.4
86.09709	31.3
87.10034	1.1
93.07024	0.5
95.08571	0.3
98.23317	0.6
98.98471	3.9
104.10744	2.9
125.00008	22.5
125.34885	0.3
156.40773	0.3
160.01701	0.3
184.07350	100.0
184.43452	0.4
185.07693	3.3
186.07835	0.7
235.73537	0.3
414.85220	0.3
788.70160	0.4
796.54852	0.8
814.56335	2.5
815.55591	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	814.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06631	0.6
59.07405	0.1
60.08167	6.3
61.08500	0.1
67.05525	0.2
71.06985	0.2
71.07378	4.1
71.07761	0.2
78.35013	0.1
79.05505	0.2
81.07060	0.3
86.09711	30.4
87.10030	0.7
95.08612	0.1
98.23452	0.2
98.98471	3.4
100.90527	0.1
104.10746	2.4
106.07462	0.1
113.72854	0.1
121.10198	0.1
125.00012	21.5
126.00343	0.2
143.01044	0.2
166.02785	0.1
184.07352	100.0
185.07707	2.4
186.07780	0.2
289.39395	0.1
333.44757	0.1
509.72583	0.1
552.33948	0.1
642.44012	0.2
714.46600	0.4
796.54218	0.3
814.55981	2.1
815.55469	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	814.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06635	0.5
59.07370	0.1
60.08165	7.4
61.08476	0.1
63.21366	0.1
67.05510	0.2
69.48711	0.2
69.49115	0.3
70.06603	0.2
71.07375	4.7
73.02929	0.1
79.05504	0.1
80.97411	0.1
81.07067	0.2
82.42230	0.1
86.09708	34.5
87.10027	0.6
91.05482	0.1
93.07075	0.2
95.08601	0.1
98.98466	4.5
101.84724	0.1
104.10746	3.1
109.10188	0.1
125.00005	25.4
126.00355	0.2
143.01045	0.3
166.02666	0.1
184.07346	100.0
185.07684	2.2
186.07811	0.3
329.63730	0.1
622.96790	0.1
714.47345	0.6
796.54248	0.3
814.55890	2.1
815.55188	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	814.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58054	0.4
58.06618	0.5
60.07897	0.4
60.08167	6.9
60.80884	0.4
61.81338	0.3
67.05502	0.7
69.06652	2.1
69.07072	1.2
71.07379	4.0
75.07446	0.4
75.60316	0.4
77.13478	0.3
79.05504	0.6
81.07060	1.3
82.48988	0.3
83.08602	0.6
83.84701	0.4
86.09708	31.0
87.10036	0.8
89.71955	0.4
91.05470	0.4
93.07051	0.4
95.08637	0.4
98.23380	0.9
98.98472	4.1
104.10751	2.1
119.08575	0.5
125.00007	18.9
126.00306	0.5
184.07347	100.0
185.07687	2.6
186.07817	0.6
200.86049	0.4
218.86961	0.4
245.91049	0.5
311.12390	0.5
320.16397	0.4
325.27454	0.6
350.11896	0.4
519.40417	0.5
524.87970	0.4
643.45874	0.8
814.54810	4.0
815.54999	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	814.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11163	0.3
58.06607	0.3
60.07854	0.3
60.08165	6.2
63.87826	0.3
67.05515	0.6
69.02499	0.3
71.07379	3.8
79.05514	0.5
81.07058	0.8
86.09710	30.2
87.10037	0.7
91.05479	0.5
93.07025	0.5
95.08602	0.4
98.22644	0.5
98.98465	4.3
104.10764	2.1
105.07023	0.5
107.08599	0.4
115.06786	0.2
125.00009	19.9
133.10127	0.2
141.94484	0.2
143.01083	0.2
184.07349	100.0
185.07710	2.3
262.82922	0.2
312.14188	0.2
398.39383	0.2
398.65945	0.2
427.86365	0.3
642.33691	0.3
778.53815	5.1
779.53497	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	815.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09741	17.2
125.00032	23.7
128.37358	18.5
156.34128	19.6
184.07362	72.8
207.56497	15.7
275.44614	18.0
305.74609	15.7
313.97043	18.4
639.77026	16.8
726.93829	18.9
815.50592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.161
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44392	0.2
71.27734	0.1
77.03926	0.2
79.05489	1.0
91.05474	1.0
93.07050	1.8
95.04989	0.4
103.05472	8.2
104.05807	0.3
105.04562	0.2
107.04964	1.5
118.06566	0.2
119.07348	0.2
120.08109	100.0
121.08447	3.1
124.93189	0.1
131.04932	2.3
148.07726	0.2
149.05978	1.6
153.01816	0.9
161.02931	0.1
161.28954	0.1
165.14926	0.1
166.08640	39.4
167.08968	1.4
258.43207	0.1
277.03421	0.2
408.28659	0.1
597.61365	0.1
669.25897	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	816.575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	0.2
57.20003	0.1
58.06627	0.4
59.07415	0.2
60.08168	6.3
64.64398	0.1
67.05507	0.5
69.07059	0.2
70.06596	0.2
70.52689	0.3
71.07377	3.9
71.08639	0.3
79.05501	0.2
79.71096	0.1
80.97432	0.1
81.07072	0.3
83.04977	0.2
86.09709	31.1
87.09424	0.1
87.10046	0.9
91.05489	0.3
93.07026	0.1
95.08601	0.2
97.06528	0.2
98.98471	3.9
104.10746	2.6
105.07028	0.2
107.08635	0.3
109.10142	0.2
119.08610	0.2
125.00008	20.8
126.00356	0.2
127.00472	0.1
133.10147	0.3
143.01047	0.3
174.98840	0.1
184.07350	100.0
185.07698	3.2
186.07808	0.7
195.00345	0.2
253.14320	0.2
289.38922	0.1
307.18854	0.1
313.27457	0.4
405.12106	0.1
468.42328	0.1
644.45233	0.4
716.48279	0.6
798.55682	0.3
816.57428	1.5
817.57153	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	817.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27822	1.5
58.04375	1.4
62.60637	1.6
67.76487	1.6
70.06548	4.9
70.82953	1.4
81.03384	1.5
91.05442	1.5
95.04898	1.9
99.39902	1.4
113.57483	1.5
116.76099	1.4
120.76793	1.6
121.06440	4.6
137.05923	4.3
155.23746	1.6
161.05820	2.4
166.12532	1.7
175.03566	6.5
177.05441	2.7
181.04947	2.2
205.04703	7.2
224.61578	1.7
385.12244	2.1
399.14075	3.5
442.70935	1.7
501.62173	1.7
771.58429	1.7
817.18134	100.0
818.18024	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	818.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24214	0.3
63.87278	0.3
64.13873	0.3
67.01860	0.7
67.71196	0.3
69.03433	3.8
71.01362	0.5
71.04992	0.5
72.39526	0.5
73.02917	0.3
74.11463	0.3
74.40883	0.3
75.49532	0.3
77.71989	0.3
81.03421	8.9
82.03709	0.3
84.24754	0.3
85.02894	0.9
91.05431	0.6
95.01289	0.3
96.22801	0.4
97.02897	0.8
99.04446	1.5
103.05444	1.3
107.04955	0.4
109.02885	5.2
117.03352	0.8
119.04936	0.5
127.03904	5.0
129.03323	0.4
131.04915	0.7
133.02823	0.8
145.02837	0.6
145.04922	1.2
147.04440	1.5
157.02826	1.4
159.04454	0.4
161.02339	0.9
163.03934	2.9
165.01904	0.4
173.02356	1.3
175.03877	2.2
177.01767	0.5
179.03355	0.6
185.02345	1.2
187.03893	4.6
189.01825	2.1
190.02635	0.4
191.03401	4.2
193.01295	1.0
201.01826	3.0
203.03401	4.5
205.01262	0.7
207.02934	2.2
213.01805	4.5
214.83392	0.3
215.03392	4.0
217.01343	4.8
218.01869	0.5
219.02873	3.9
221.00790	1.1
229.01360	3.8
230.02008	0.6
231.02885	21.6
232.03188	0.9
235.02350	5.5
236.02766	0.4
239.01804	0.5
241.01349	4.7
245.00781	3.7
247.02385	6.3
248.02882	0.3
257.00824	6.0
259.02383	34.5
260.02725	1.6
263.01962	1.5
273.00327	3.2
274.00879	0.4
275.01892	9.7
276.02402	1.1
277.03427	90.0
278.03793	3.8
285.00275	5.4
291.01340	0.8
300.99820	1.0
303.01349	100.0
304.01633	5.5
319.00784	6.9
320.01175	0.4
321.02386	2.1
337.01923	4.5
345.02444	0.4
346.99954	0.4
369.02484	0.6
379.03030	1.5
411.03735	0.5
419.06036	0.5
421.04144	0.4
445.04016	1.6
463.05060	8.3
477.01852	0.3
481.06149	3.4
572.61890	0.3
726.11414	0.4
765.05548	0.4
783.06683	0.6
850.84174	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	818.417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.5
66.18036	1.4
67.05510	21.2
69.03425	3.1
69.07061	4.9
71.04999	2.2
73.02906	1.6
79.05496	15.6
81.03415	4.2
81.07068	19.2
82.70498	1.5
83.04994	3.4
83.08620	14.0
85.02900	4.4
91.03942	2.5
91.05482	17.0
93.07056	8.5
95.04950	3.0
95.08604	5.3
97.02886	2.7
97.06506	2.0
97.10178	20.1
98.22567	3.5
103.05464	11.4
105.07027	12.1
107.04968	2.7
107.08611	9.8
109.06536	2.4
109.10156	4.4
111.08115	1.5
115.05478	4.3
117.07015	23.7
119.08593	8.2
121.06509	5.2
121.10155	3.9
125.09650	22.1
128.06178	1.6
129.07022	12.3
131.08572	22.0
133.06494	4.2
133.10162	2.6
135.08046	6.0
137.09718	1.7
141.06996	5.7
143.08545	7.0
145.06468	4.9
145.10164	4.3
147.08032	2.6
149.09557	2.7
150.61554	1.5
153.09024	2.2
155.08560	6.7
157.06464	3.6
157.10138	3.5
159.08073	5.2
159.11755	1.8
167.08568	2.7
169.10123	4.4
171.08046	2.1
171.10233	2.1
171.11722	3.6
173.13190	1.9
183.11858	2.1
187.14786	4.4
189.11244	10.0
195.11740	2.6
197.13206	7.5
213.12794	1.8
215.14326	26.7
217.58081	1.9
227.12782	18.5
228.13301	1.9
239.14276	1.9
241.12187	2.0
259.02292	4.9
277.03461	8.0
303.01468	10.3
339.23114	2.0
349.21652	6.2
367.22556	10.6
385.23615	4.4
403.25116	2.7
441.26376	46.9
442.26678	6.1
459.27444	100.0
460.27917	10.8
473.26740	1.7
477.28568	12.3
702.57239	1.9
702.88464	1.8
818.41895	1.8
819.38727	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	818.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	15.3
57.07083	2.4
59.05003	4.0
61.02909	1.4
65.03941	6.2
67.05505	100.0
69.03432	8.2
69.07069	24.3
70.43661	3.5
71.04992	9.3
79.05492	52.5
80.05850	1.6
81.03423	27.6
81.07054	90.3
82.07371	2.5
83.04980	10.9
83.08620	18.0
85.02907	9.7
85.06541	5.1
91.04897	2.7
91.05479	50.0
92.05804	1.4
93.07042	43.8
94.07376	1.5
95.04962	20.2
95.08607	33.9
96.57193	1.3
97.02925	7.2
97.06516	11.2
97.10171	6.4
99.04450	1.7
99.08096	4.3
103.05518	2.2
105.07028	36.7
106.07362	1.8
107.04961	20.6
107.08591	23.8
109.02837	2.2
109.06516	28.2
109.10154	55.8
110.10469	1.9
111.04443	4.9
111.08057	8.8
113.06015	1.6
115.05470	2.2
117.07015	17.5
119.08582	31.8
121.06493	14.8
121.10141	18.7
122.51855	1.6
123.04432	2.3
123.08064	10.8
123.11724	6.2
125.00081	1.5
125.06058	1.5
125.09637	6.4
127.03892	1.6
128.06239	2.2
129.06984	8.0
130.07797	1.6
131.08572	24.1
133.06519	3.6
133.10127	23.1
135.08028	6.9
135.11696	12.0
137.09586	7.2
141.06989	3.3
142.07805	2.0
143.08572	5.8
145.06526	2.1
145.10120	16.7
147.08043	4.6
147.11671	20.1
149.09641	10.2
149.13281	6.1
151.11229	3.8
155.08620	2.2
155.10686	4.5
157.10152	6.9
159.07994	2.2
159.11699	11.3
161.09622	5.1
161.13237	3.0
163.11188	11.5
163.14874	2.0
165.12776	5.9
167.10645	1.4
169.10175	4.2
171.11700	3.5
173.09505	3.2
173.11761	12.5
173.13293	5.6
175.11229	4.4
177.12793	4.8
179.10701	2.2
179.14311	1.9
181.12131	1.6
183.11702	4.2
184.07446	3.0
185.13324	2.5
187.11234	6.1
187.14885	2.4
189.11243	2.7
193.12341	3.4
195.13881	1.3
197.13237	2.0
201.12802	1.9
201.16646	1.4
205.12277	4.0
211.13293	2.6
223.13290	10.4
227.12819	5.4
229.14346	64.3
230.14830	2.6
237.14885	2.5
239.18042	1.9
247.20616	3.9
253.14264	2.7
257.19095	4.3
259.20459	2.1
267.15875	10.8
269.17401	2.0
273.18503	2.9
275.20074	57.4
276.20401	5.5
279.15933	4.9
283.15393	4.9
291.19467	9.8
293.21060	13.0
297.16949	32.3
303.01239	1.7
333.93448	1.5
349.19571	1.8
349.23758	30.4
350.24170	1.6
365.23376	3.8
367.24869	27.5
427.19412	2.1
459.27219	2.1
477.28329	5.4
503.33676	55.0
504.33838	6.5
521.34766	30.0
522.35065	3.8
525.35846	2.0
543.36700	3.4
553.35144	2.7
557.34625	6.9
571.36273	13.0
572.36945	1.7
575.35925	2.9
589.37610	9.8
593.19977	1.8
621.31683	2.6
658.28418	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	818.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.6
57.07080	27.1
60.08171	4.9
67.05178	3.0
67.05515	25.6
69.03429	3.1
69.07069	14.5
71.07380	3.9
71.08636	22.9
79.05488	20.5
81.03433	7.9
81.07058	44.7
83.04994	8.6
83.08627	16.9
83.54214	1.2
85.06517	1.8
85.10183	13.2
86.09710	34.2
91.05471	13.4
91.52882	1.4
93.07043	15.2
95.04972	9.0
95.08617	18.9
97.02885	1.3
97.06548	5.2
97.10180	14.4
98.23439	3.3
98.98490	3.6
101.29285	1.4
104.10761	1.7
105.07040	12.6
107.04967	6.7
107.08604	12.2
109.06526	5.1
109.10152	10.2
111.04440	8.3
111.08084	4.4
112.62357	1.2
117.07023	4.0
119.04935	1.2
119.08574	14.1
121.06528	4.7
121.10172	7.5
123.08057	10.5
123.11721	2.4
125.00009	21.9
125.09622	10.2
129.07048	3.7
131.08606	7.7
133.06494	3.3
133.10135	6.4
135.08075	4.0
135.11710	5.3
137.09625	2.5
137.13290	2.0
143.08600	2.9
145.10141	7.3
145.11147	1.3
147.08067	5.0
147.11703	4.8
149.09624	3.6
153.09064	2.0
153.12798	2.6
155.08594	1.5
157.10127	2.3
159.11676	1.5
161.09636	4.5
163.11215	9.7
165.09193	1.9
175.11163	3.7
181.12288	2.3
184.07353	100.0
185.13377	2.3
189.11255	8.8
191.10751	2.0
193.12305	2.2
213.33328	1.4
223.13367	3.1
227.12794	10.6
239.23830	3.3
245.19028	3.0
257.24927	1.7
273.18460	20.3
283.15393	2.1
291.19550	39.5
292.19949	3.4
309.20605	4.4
313.27365	89.9
314.27646	5.4
347.22202	6.2
365.23239	24.4
383.24060	10.0
483.37097	1.6
539.39258	2.8
585.45135	4.2
588.76685	1.5
603.46179	39.6
604.46387	4.0
621.47168	26.1
622.47516	4.2
676.22229	1.9
782.56537	4.1
800.57141	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	819.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.0
67.05496	0.7
68.73057	0.6
68.99812	0.6
69.03425	1.2
70.06584	2.1
71.43530	0.6
79.05492	1.6
81.03413	2.5
81.07047	0.7
85.02914	1.4
91.05473	3.0
92.13074	0.7
94.04182	1.6
95.05000	0.9
97.02914	0.8
98.23380	1.6
103.05431	0.7
105.07027	1.8
107.04913	0.9
109.02841	1.0
109.06496	1.3
110.03719	0.7
111.00800	1.6
115.05460	2.2
117.03442	0.8
117.07070	0.8
119.04925	2.6
119.97025	0.7
121.02866	1.2
121.06505	2.6
122.03651	5.5
127.03891	1.2
130.04138	1.8
131.04961	1.0
133.06487	1.7
137.02371	3.9
137.05983	60.7
138.06279	2.0
142.65523	0.7
145.06508	2.1
146.03607	1.6
147.04398	4.5
149.06038	1.3
151.03932	5.6
153.01855	4.6
158.03662	2.8
161.05978	6.2
162.06795	4.1
163.03983	0.7
165.01868	2.5
166.53278	0.7
167.07050	2.1
173.06024	4.9
175.03874	1.8
177.05481	1.3
177.06979	1.3
178.07809	2.5
181.04959	2.9
183.02959	1.0
183.04398	0.9
185.05988	0.7
186.03133	3.4
187.03856	0.8
189.05608	0.8
189.07002	4.0
191.07045	0.7
194.07251	0.7
201.05470	54.2
202.05807	2.6
202.07614	1.0
205.04694	1.9
205.06523	6.6
206.07262	6.9
213.05492	4.9
217.06461	3.4
218.07213	2.6
219.08055	1.0
220.05255	1.6
221.05919	1.9
221.09558	1.5
222.06764	3.2
223.07477	1.5
229.04944	4.6
231.06354	5.1
233.05966	5.5
234.06763	20.1
235.07530	5.5
237.09091	3.8
239.06996	0.9
245.05963	5.7
246.06825	0.8
247.07642	1.2
248.08330	1.4
249.05424	1.0
249.09076	7.4
250.06425	3.3
250.09509	0.7
251.06998	4.8
252.07524	1.1
257.04398	2.6
259.07629	1.5
261.05576	3.1
261.08972	0.6
262.06250	19.0
263.07001	5.8
264.07864	1.6
265.08636	7.3
266.09274	1.9
272.04739	0.9
273.05426	6.2
274.06216	2.0
276.07907	3.4
276.10352	0.6
277.05533	1.1
277.08606	22.4
278.05728	2.6
278.09076	2.8
279.06540	3.7
279.09778	1.0
280.07306	1.5
281.08066	1.0
281.11520	0.9
282.09045	1.0
285.04013	1.6
287.06979	3.4
288.07819	0.7
289.04874	2.1
290.05740	30.2
291.06229	2.8
291.09775	1.3
292.07312	5.1
293.08063	7.7
294.08820	5.1
295.09601	3.1
297.11328	1.3
303.05002	100.0
304.04810	4.4
305.08093	46.4
306.08502	4.7
307.06012	2.7
307.09644	9.2
308.09961	0.9
309.07965	0.8
309.11166	3.4
310.08319	0.9
319.09692	5.2
322.08331	4.5
325.10721	27.6
325.14551	1.3
326.10956	2.3
337.10696	99.9
338.11038	7.5
349.10782	1.6
355.11771	14.9
356.12170	1.8
421.12781	0.9
435.14340	1.2
451.13708	0.9
463.14023	1.3
469.14972	2.0
481.15454	1.0
487.16034	1.5
499.16104	1.8
517.17090	17.6
518.17493	1.6
624.19226	0.7
657.13586	2.9
819.18713	3.5
820.18945	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	820.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43618	0.1
68.99792	0.2
69.03431	0.3
78.53906	0.1
79.01853	7.6
81.03402	0.6
87.00842	0.2
88.23316	0.1
95.01331	0.1
97.02882	1.5
98.29478	0.1
107.01307	1.9
109.02887	0.8
122.76256	0.1
123.00791	0.3
125.02345	3.5
125.03262	0.2
127.03927	1.8
135.34221	0.1
142.64040	0.1
143.03395	8.9
144.03755	0.2
146.03737	0.1
149.12473	0.1
153.01826	100.0
153.02895	6.5
154.02155	2.9
161.02437	0.1
163.03900	0.3
165.01871	0.1
167.03423	0.2
189.01826	0.3
191.03401	0.6
195.02840	0.2
201.01801	0.1
205.04895	0.2
207.02937	0.5
217.01343	0.8
219.02861	0.8
221.00735	0.2
229.51883	0.2
233.04483	0.7
235.02383	1.0
245.00793	0.6
245.04584	0.2
247.02440	0.4
255.02838	0.2
261.03986	1.0
263.01746	0.2
273.00327	0.5
273.03885	0.2
275.01849	0.5
279.04980	0.4
291.01450	0.2
300.99911	0.2
301.03473	0.4
305.03012	0.3
319.00769	0.9
329.02881	0.3
337.01868	2.2
403.02908	0.4
421.04028	0.5
445.04053	1.7
463.05112	1.5
529.98584	0.1
597.05420	0.6
615.06195	2.2
616.06866	0.2
633.07135	2.3
634.07831	0.2
664.16058	0.1
772.54303	0.1
781.43085	0.1
785.06891	0.2
843.27203	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	820.12
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87001	0.2
68.99787	0.3
69.03428	0.7
79.01859	8.0
81.03419	2.9
82.03760	0.3
87.00811	0.2
97.02899	2.0
98.23405	0.6
99.04458	0.3
106.44232	0.2
107.01333	1.7
107.04919	0.2
109.02884	3.1
123.00802	0.4
125.02370	3.4
127.03914	4.7
127.04787	0.3
127.67256	0.2
131.04910	0.2
133.02884	0.4
135.04405	0.2
139.10860	0.2
143.03403	7.7
145.02856	0.2
147.04424	0.4
151.03902	0.2
153.01834	100.0
153.02911	6.8
154.02162	2.5
161.02393	0.3
163.03880	1.5
165.01863	0.4
173.02330	0.4
175.03938	0.4
179.03409	0.5
189.01820	1.2
190.02499	0.2
191.03404	2.2
192.03809	0.2
193.01387	0.6
195.02847	0.2
201.01857	0.6
203.03416	0.4
207.02892	1.5
215.03525	0.2
217.01353	2.0
218.01801	0.2
219.02902	3.0
221.00850	1.4
221.04430	0.2
229.01431	0.4
231.02901	0.8
233.00960	0.2
233.04382	0.3
235.02356	3.6
236.02612	0.2
237.03775	0.2
239.01985	0.4
245.00815	1.9
247.02350	1.9
248.02843	0.3
249.03960	0.2
257.00864	0.3
259.02457	1.1
260.02631	0.3
261.03918	0.8
263.01901	1.2
273.00357	1.8
275.01892	2.4
276.02359	0.4
277.03500	2.2
278.03787	0.6
279.04941	1.0
291.01422	0.5
300.99805	0.4
302.00562	0.3
303.01331	2.2
304.01697	0.6
305.02072	0.7
319.00845	2.9
321.02417	0.4
337.01904	12.6
338.02130	0.8
339.03458	0.6
403.02936	0.2
445.03958	0.7
463.05136	3.4
463.11292	0.1
464.05533	0.3
465.05386	0.2
483.07663	0.3
489.02597	0.3
587.07855	0.2
615.05609	0.3
633.07178	0.7
785.08240	2.8
786.08820	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	820.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	17.2
58.90530	2.0
59.05003	3.1
61.27103	2.4
65.03937	4.3
67.05510	68.4
69.03430	9.0
69.07072	27.3
69.58776	9.2
71.04997	11.1
71.79937	2.2
72.48338	2.3
73.02901	2.5
78.76775	2.1
79.05495	63.8
81.03424	100.0
81.07060	77.4
82.07386	3.4
83.04990	26.7
83.08144	3.8
83.08624	52.0
85.02919	19.2
85.06530	3.9
91.05485	68.5
93.06472	4.3
93.07050	58.8
94.07380	2.3
95.04972	80.5
95.08617	35.3
97.02914	6.9
97.06529	15.0
97.10186	16.4
99.04461	7.4
103.05499	2.6
105.07039	54.7
107.04975	24.6
107.08591	41.6
109.02892	4.1
109.06531	18.4
109.10165	27.1
111.04464	10.1
111.08088	18.4
113.06049	4.1
115.05452	2.4
117.07021	17.6
117.56898	2.0
119.08584	49.9
120.08912	2.3
121.06499	11.4
121.10149	28.9
123.04447	4.2
123.08108	9.9
123.11781	4.4
125.09646	11.9
127.03917	2.8
128.06180	3.4
129.07014	15.7
131.08572	30.5
133.06470	7.7
133.10132	38.0
135.08058	10.5
135.11719	10.9
137.05968	3.9
137.09647	10.3
139.07527	3.1
139.11185	3.0
141.07013	3.3
142.07779	4.2
143.08542	6.7
145.06483	3.0
145.10117	26.2
147.08081	10.0
147.11687	28.7
149.09622	28.0
149.13281	3.4
151.11177	6.0
155.08571	4.0
157.10129	16.5
159.11713	10.4
161.09590	3.5
161.13268	4.2
163.11205	28.4
165.12788	7.7
167.10617	2.8
169.10191	5.5
171.11723	7.1
173.09605	6.2
173.13290	5.2
175.11163	15.8
177.12753	6.0
183.11731	3.3
184.07339	3.1
185.13283	2.5
187.11308	2.7
187.13240	2.3
189.11227	8.5
191.10696	2.9
193.12262	36.4
197.13449	2.8
205.12184	3.4
211.11290	2.9
211.13245	33.2
215.17871	2.2
223.13303	24.7
227.12807	6.8
229.14474	4.7
237.99554	2.7
239.17917	3.8
247.20609	3.6
257.19009	7.6
267.15909	79.8
268.16293	4.3
269.17542	2.3
275.20078	63.7
276.20477	3.9
285.16998	25.7
289.17868	3.4
291.19553	4.0
293.21130	33.6
349.23758	41.8
350.23950	3.7
367.24814	35.8
407.00644	2.4
429.21118	9.0
433.25754	3.2
447.27063	2.7
461.29047	5.5
467.31723	3.2
479.30573	2.4
541.35217	42.1
542.35516	6.6
559.36279	89.2
560.36633	10.9
573.34033	14.4
577.37445	39.0
578.37646	4.7
703.40253	3.6
721.41504	11.3
821.41235	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	820.505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	15.2
65.03936	6.8
67.05511	56.2
69.03438	8.0
69.07072	22.5
71.04991	11.8
72.10056	1.9
79.05498	55.8
81.03426	64.0
81.07064	100.0
83.04993	13.8
83.08635	31.7
85.02912	12.2
85.06538	4.0
88.19867	2.1
90.48431	2.2
91.05489	52.3
91.06018	4.1
93.07056	40.4
95.04984	29.8
95.08617	29.2
96.05305	2.3
97.02904	7.0
97.06559	8.3
97.10191	7.0
99.08121	3.4
103.05441	2.2
105.07037	47.0
107.04977	14.2
107.08607	24.3
109.02900	4.0
109.06534	27.5
109.10172	17.5
110.10492	2.0
111.04475	5.8
111.08082	12.1
115.05505	2.6
117.07027	12.4
119.08597	41.3
121.06518	7.9
121.10141	21.0
122.10499	2.1
123.04431	3.0
123.08106	9.7
123.11725	7.4
125.09661	6.1
129.07019	8.3
131.08583	19.9
133.06502	4.8
133.10136	19.9
135.08070	7.5
135.11659	10.0
137.06082	2.4
137.09630	6.0
141.06987	2.5
143.08527	4.3
145.06520	2.8
145.10130	13.8
146.39636	2.1
147.08043	6.1
147.11719	23.8
149.09616	13.5
149.13268	7.0
151.11185	3.1
155.08534	2.8
155.37967	2.0
157.10129	14.6
159.07915	2.0
159.11717	7.7
161.09618	3.2
161.13300	2.6
163.11192	9.6
165.12775	6.4
169.10028	3.1
171.11708	3.6
173.09660	2.5
173.13278	3.8
175.11201	8.4
175.14908	2.4
183.11652	3.0
184.07359	2.7
185.13217	2.8
189.11272	2.4
191.10811	2.4
193.12263	26.1
201.12875	2.0
211.13297	30.1
211.95468	2.0
215.18056	2.3
223.13258	2.3
224.13702	2.2
227.12787	5.2
229.14377	6.8
229.19489	2.7
230.14769	2.3
239.42163	2.3
240.54202	2.2
247.20659	6.4
257.19122	4.9
265.14297	3.3
267.15939	52.5
273.18622	3.0
275.20129	54.7
276.20428	4.6
283.15265	3.5
285.16965	23.6
291.19601	4.3
293.21231	10.8
299.14865	2.8
349.23767	36.3
350.24127	5.0
367.24814	19.7
429.21124	6.8
449.30725	2.5
461.29126	2.6
467.17722	2.5
467.31671	2.6
511.75833	2.5
523.35333	3.4
541.35303	38.4
542.35474	5.0
556.33618	3.3
557.34869	3.2
559.36377	66.1
560.36456	9.2
573.34741	3.4
574.34875	2.6
577.37372	21.3
591.36731	2.9
703.40338	7.3
721.41083	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	820.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.4
57.07072	1.6
59.05009	1.3
62.51699	1.1
65.03942	2.0
67.05506	36.9
68.00147	1.1
68.05833	1.3
69.03425	4.5
69.07066	16.3
69.46634	1.3
71.04995	15.0
79.05495	37.3
81.03422	70.8
81.07059	66.4
82.03773	1.7
82.07383	2.1
83.04993	9.5
83.08624	20.6
85.02922	1.7
85.06564	2.6
91.05487	38.5
93.07042	29.8
94.07391	1.1
95.04980	25.4
95.08617	20.0
97.02923	2.1
97.06513	7.3
97.10152	6.1
98.23349	3.9
99.04431	1.5
99.08085	3.0
103.05482	1.7
105.07039	35.6
107.04958	10.9
107.08598	20.7
109.06534	16.4
109.10153	11.1
111.04466	6.9
111.08103	9.7
113.09682	1.4
115.05481	2.6
117.07019	9.5
119.08583	27.6
121.06510	8.8
121.10155	14.0
122.10485	1.4
123.04494	1.7
123.08059	6.9
123.11711	5.0
125.09644	7.0
129.07019	11.3
131.08572	16.4
133.06474	5.6
133.10130	18.7
135.08052	5.5
135.11700	7.6
137.09612	3.9
139.11215	1.5
141.06990	1.7
142.07782	1.9
143.08560	2.9
144.09254	1.2
145.06549	1.6
145.10129	13.1
147.08064	5.4
147.11685	18.0
149.09608	9.6
149.13243	3.2
151.11163	3.4
154.06258	1.4
155.08574	1.5
157.10127	9.6
159.08109	1.9
159.11700	4.8
161.13275	2.8
163.11211	6.6
165.12762	3.1
169.10194	2.9
171.11696	4.9
173.09642	3.1
173.13290	3.5
175.11183	8.2
177.12738	2.5
183.11699	2.9
187.14847	1.7
189.11194	2.5
191.10674	1.6
191.14453	1.4
193.12259	14.1
194.12624	1.6
196.34152	1.1
197.13309	1.8
201.12823	2.1
205.12299	1.6
219.96782	1.3
227.12813	2.7
228.98782	1.3
243.15993	1.4
247.20674	2.3
249.14825	1.8
253.14418	1.7
257.19098	3.8
265.36438	1.2
267.15912	100.0
268.16263	4.8
273.18613	2.0
275.20084	24.8
276.20364	2.8
287.16510	1.3
289.14951	1.4
293.21094	3.5
299.20172	2.9
307.22656	5.0
315.23181	3.1
349.23770	13.0
367.24838	3.5
381.26395	33.0
382.26721	4.4
405.73471	1.2
414.05182	1.5
431.28738	1.5
449.30444	5.5
467.31772	7.3
485.32645	5.7
523.34106	3.5
541.35217	81.2
542.35645	10.8
559.36316	70.3
560.36774	7.9
573.37799	41.9
574.37897	4.7
821.42139	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	820.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.9
57.07067	2.8
59.04992	1.6
65.03932	2.3
67.05139	2.3
67.05504	45.9
68.17946	1.0
69.02154	3.1
69.02579	3.9
69.03423	4.1
69.07069	13.9
70.11491	0.9
71.04996	2.0
79.05492	43.7
81.03426	1.6
81.06582	1.9
81.07056	39.5
82.07391	1.1
83.04978	4.3
83.08623	25.8
85.06551	1.9
86.09714	1.4
87.04440	0.8
91.05482	40.2
92.05809	1.0
93.07043	29.8
93.07630	1.4
94.07359	1.0
95.04973	5.1
95.08610	19.6
97.02898	1.0
97.06526	2.5
97.10168	51.2
102.80341	0.9
103.05466	2.2
104.06304	1.0
105.04583	1.3
105.07035	12.4
107.04960	3.1
107.07865	1.6
107.08596	30.9
109.06524	3.3
109.10155	11.9
111.08088	3.3
115.05427	6.1
116.06250	1.0
117.07014	26.6
119.04955	1.0
119.08581	60.2
120.08910	2.5
120.47212	0.8
121.06525	3.0
121.10143	8.8
123.08092	1.1
123.11746	2.6
125.09631	45.8
128.06218	2.4
129.06985	2.9
131.08572	10.5
133.10147	6.3
135.08055	11.3
135.11694	6.4
141.07034	1.5
142.07762	1.3
143.08546	7.7
143.10696	2.2
145.06480	23.3
145.10158	9.0
147.08034	4.4
147.11685	4.5
149.09595	1.5
149.13206	4.3
153.09111	4.8
153.30089	1.0
155.08583	3.1
157.10138	4.7
159.08046	8.6
159.11705	4.8
161.09651	2.3
161.13243	2.8
162.87906	1.1
163.07585	2.0
163.11226	1.3
163.14897	2.2
169.10161	2.4
171.08051	1.2
171.10165	4.8
171.11577	2.2
173.09598	1.9
173.13286	2.7
176.18304	1.0
183.11780	1.2
184.07304	6.6
185.13257	1.4
187.14761	2.0
189.11209	41.8
190.80589	1.0
225.16429	2.0
227.12776	100.0
228.13026	5.6
243.17426	3.8
243.21101	3.5
253.15877	3.0
261.19522	1.6
261.22174	14.1
261.24814	1.9
262.22659	1.0
271.16913	59.6
272.17313	4.1
275.19986	4.2
288.13284	1.0
289.17969	15.1
313.27377	2.7
317.24930	1.6
335.21738	2.0
335.25772	32.4
336.26108	2.5
345.20639	11.9
349.23849	2.4
363.21640	20.9
364.22015	1.6
413.30368	1.3
487.34161	4.0
505.35287	14.3
605.41943	21.8
606.42212	4.3
623.42999	56.3
624.43158	8.8
641.43793	2.8
642.44397	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	820.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
65.03950	2.0
67.05508	22.5
68.12079	1.2
69.03448	1.4
69.07074	20.6
79.05499	25.4
81.03421	5.2
81.07061	35.9
83.04984	4.7
83.08623	5.7
85.06551	1.5
86.09734	0.9
91.05482	37.5
93.07047	23.1
93.27877	0.9
95.01334	6.1
95.04988	6.7
95.08613	23.0
97.06539	42.5
97.10193	1.3
98.06884	1.4
99.08085	1.1
105.07036	53.6
107.04959	14.0
107.08604	12.8
109.06523	4.0
109.10149	5.9
111.08059	1.1
113.09628	1.0
117.07014	10.9
119.08585	26.8
120.08907	1.4
121.06487	3.4
121.10139	6.4
123.04423	1.9
123.08037	2.5
123.11711	1.4
125.09601	1.5
129.07002	2.9
131.08568	14.6
133.10138	28.1
135.08063	3.4
135.11725	6.8
137.09625	3.3
139.07533	3.3
141.06985	1.3
143.08559	3.3
145.10129	11.1
147.08026	1.5
147.11703	11.3
149.09650	9.5
149.13271	2.2
151.11226	1.8
155.08588	1.3
157.10112	3.5
159.08054	1.2
159.11705	8.5
161.13239	6.0
163.11220	4.9
165.09065	2.0
169.10191	1.7
171.11700	2.0
173.13289	4.0
177.12753	3.6
179.14317	12.8
184.07327	2.8
187.11102	2.3
208.42755	1.0
229.19600	1.9
239.18083	1.3
247.20586	3.5
257.18936	5.2
275.20068	84.1
276.20456	5.8
293.21167	4.5
331.22754	1.4
349.23740	48.5
350.24014	4.2
383.77371	1.4
500.56082	1.3
623.43054	100.0
624.34393	1.3
624.43427	15.7
641.44318	1.8
710.05487	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	820.52
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.3
59.04983	1.9
65.03950	4.5
67.05506	78.1
68.20024	1.8
69.03419	10.1
69.07069	26.9
71.04996	2.6
71.48460	2.1
77.03915	1.9
79.05494	77.1
80.05803	2.2
80.31306	1.6
81.03410	2.4
81.07053	75.0
83.04992	5.7
83.08613	38.3
85.06561	2.7
86.09723	3.8
91.05478	64.5
92.05824	2.4
93.07046	67.8
95.04980	7.4
95.08606	42.4
95.09166	3.5
97.06536	5.1
97.10170	76.9
98.10480	2.2
105.04510	2.3
105.07031	23.4
107.04918	4.1
107.08595	58.2
109.06535	7.6
109.10156	24.1
111.08099	5.8
115.05463	7.0
117.07019	45.4
119.06149	1.8
119.08582	85.7
120.08942	2.2
121.06564	3.8
121.10131	20.1
123.08084	3.6
123.11700	6.4
125.00016	2.3
125.09624	64.9
128.06210	2.0
129.07027	6.4
131.04851	2.4
131.08536	18.6
133.06540	2.1
133.10098	11.6
135.08070	16.3
135.11694	13.0
141.07043	3.2
142.07877	2.2
143.08548	11.9
143.10724	3.6
145.06476	30.0
145.10147	12.8
147.08058	5.7
147.11674	8.8
149.09604	4.6
149.13278	6.7
153.09129	5.9
155.08565	4.9
157.10132	8.9
159.08069	14.3
159.11705	7.2
161.09644	5.3
161.13289	5.4
169.10162	3.5
171.08018	2.0
171.10133	5.6
173.09692	5.1
173.13219	5.1
184.07347	14.9
187.14803	4.5
189.11215	50.8
189.12874	3.3
215.14340	2.3
225.16484	2.3
227.12770	92.0
228.13136	3.1
243.17448	4.5
243.21161	6.6
245.13817	4.3
253.15872	5.7
261.22113	21.1
271.13913	3.8
271.16919	76.5
272.17273	3.9
275.20001	8.7
289.17963	24.6
307.18927	2.3
317.24847	6.4
335.25772	67.3
336.26175	5.0
345.20554	14.1
349.23679	5.6
363.21674	28.2
391.94376	2.0
487.34177	6.0
505.35236	46.2
506.35159	4.2
567.40125	2.9
576.12476	2.1
605.41937	34.1
606.42114	5.2
623.43005	100.0
624.43781	15.2
641.43524	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	820.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.3
57.07078	1.5
60.44646	1.2
61.02906	1.6
67.05508	25.4
67.34645	1.3
69.03437	2.6
69.07072	15.4
71.04981	2.4
71.28202	1.2
75.04493	1.5
79.05499	33.0
81.03412	3.0
81.07062	74.7
82.07391	2.3
83.04980	5.3
83.08620	25.3
85.02920	3.0
85.06522	1.9
86.09696	3.2
91.05486	23.8
93.07045	21.6
95.01329	1.6
95.04977	5.6
95.08607	18.8
97.02891	2.6
97.06539	14.9
97.10172	3.1
99.08134	1.7
103.05507	2.0
105.07041	25.2
106.07330	1.5
107.04959	4.6
107.08601	13.0
109.06519	28.4
109.10162	8.3
111.08092	4.6
115.05442	2.2
117.07030	7.7
117.07771	1.1
119.08581	17.7
121.06495	4.6
121.10150	6.7
123.08079	4.7
123.11661	1.6
124.99979	1.5
125.09646	1.2
128.06238	1.7
129.07005	7.3
131.08559	13.0
133.10143	14.4
135.08099	3.5
135.11690	4.5
141.06993	3.5
142.07713	1.3
143.08586	8.2
145.10132	10.2
147.08011	2.3
147.11641	6.9
149.09636	7.9
149.13237	2.2
151.11174	2.5
154.07793	1.5
155.08612	6.0
157.10139	6.0
159.08012	1.7
159.11673	6.4
161.09567	1.8
161.13336	1.9
163.11191	2.9
165.12688	1.5
167.08577	3.4
169.10141	7.2
171.11726	5.6
173.13289	4.8
175.11212	1.7
179.14314	2.6
181.10057	1.7
183.11729	5.8
184.07362	10.4
185.09860	1.3
185.13222	3.9
193.10179	1.9
195.11708	2.4
197.13240	4.5
199.14836	2.8
206.99561	1.3
207.11719	2.9
209.13318	3.1
211.14804	2.4
221.13268	2.0
223.14862	2.5
225.16580	1.5
237.16345	1.6
239.17952	1.5
247.20670	1.5
257.19141	2.9
275.20123	32.9
276.20459	2.1
293.21158	2.9
339.01917	1.3
346.60361	1.4
349.23749	21.9
350.23969	1.6
421.30951	4.2
434.32077	1.5
469.29703	4.1
495.34882	8.0
513.35645	7.2
515.36853	2.6
549.38965	1.9
605.41962	7.2
623.43079	100.0
624.43286	19.1
630.41742	1.4
640.42548	1.7
641.44110	9.3
642.45068	1.7
820.48352	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	820.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	42.5
69.07079	20.6
76.09616	11.7
79.05499	34.9
81.07059	42.7
91.05473	15.7
95.08613	37.9
98.23365	34.5
107.08621	19.5
116.90433	13.7
121.10188	18.9
141.69569	12.7
145.10109	17.5
261.22144	17.3
335.25674	100.0
350.84964	13.0
391.64929	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	821.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06592	8.4
72.08163	1.1
81.07076	0.7
82.88273	0.6
85.55291	0.7
86.09682	1.9
98.23388	1.3
120.04459	1.9
120.08092	3.1
123.00565	2.2
133.06473	0.8
136.07562	1.9
137.05963	0.8
141.01593	2.4
142.06290	1.9
152.46060	0.6
153.01805	1.2
160.03702	6.9
164.07089	0.8
172.07346	4.4
174.05807	0.7
185.16487	1.0
188.06783	1.2
217.11703	3.1
218.07829	3.6
242.04227	4.1
260.05295	25.9
270.07373	1.4
275.12589	0.8
277.06711	2.0
282.38248	0.6
287.10049	0.9
288.08395	7.9
300.08374	2.8
305.11346	1.0
318.09467	7.8
366.06622	0.7
407.06396	1.3
407.12131	68.2
408.12555	5.1
437.13165	100.0
438.13425	7.8
455.12927	1.1
478.20520	0.7
498.85028	0.7
524.53162	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	821.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11116	0.6
65.71449	0.7
67.05487	0.9
69.03405	1.4
69.55438	2.5
70.06573	0.8
70.34976	0.5
79.05488	1.2
81.03407	1.7
84.04501	0.7
85.02888	1.6
86.09686	1.3
87.57363	0.5
89.03899	1.1
91.05442	0.8
93.07029	1.4
94.06537	2.2
95.07317	1.2
96.04469	0.7
96.08126	3.8
98.20816	0.7
106.06522	0.9
107.07375	0.5
108.08092	2.2
110.09680	5.8
110.92719	0.6
116.05018	3.5
120.04476	1.2
120.08114	3.3
122.06039	4.6
122.09626	0.8
124.07587	4.3
127.03860	0.6
129.58305	0.6
131.08507	0.7
134.05959	0.9
135.06816	0.6
136.07570	8.0
138.09155	7.1
144.04446	6.9
144.08147	0.8
146.06012	3.1
147.57513	0.7
148.07536	1.9
150.05472	2.0
150.09143	1.0
152.07016	1.0
155.08537	0.7
160.03938	1.9
160.07452	1.0
162.05504	3.8
164.07036	0.9
166.08652	12.4
167.10629	0.7
170.09636	3.1
172.03940	34.2
172.07442	1.1
172.11285	0.9
173.04314	1.2
174.05501	1.2
175.08708	1.7
183.06833	0.9
184.07562	0.6
186.09128	1.1
187.12285	3.7
190.05006	7.3
194.08113	0.7
197.10803	0.9
198.09152	23.4
200.09430	2.3
200.10956	1.1
204.06573	51.2
205.06935	2.3
206.08038	0.8
210.08951	0.7
212.10811	4.4
213.10164	0.7
215.11806	20.1
225.10214	1.8
226.08655	5.6
227.08278	0.9
227.11816	2.3
228.08841	1.2
229.13316	1.1
237.10342	0.8
239.11858	0.8
240.10222	2.1
241.09743	2.4
241.13359	1.2
242.10362	1.3
243.11293	100.0
244.11688	5.2
249.24986	0.8
250.10951	0.6
255.11304	8.7
256.12039	0.9
257.12891	4.7
267.11307	1.0
269.09222	1.1
279.11264	1.3
283.10855	1.3
284.11578	0.9
285.12335	85.6
286.12695	4.7
297.12494	1.7
301.11862	7.8
302.12448	0.9
303.13397	90.9
304.13739	4.5
307.10846	1.1
325.11768	7.5
329.15039	0.8
339.13553	1.1
343.13095	1.0
357.14532	9.1
358.15204	2.0
359.16000	2.0
363.09613	0.6
400.16644	0.9
400.38416	0.6
418.17584	1.6
427.42212	0.6
429.14493	0.7
430.17645	1.0
446.16901	0.8
456.15164	0.7
458.17273	0.9
462.16599	2.4
470.17142	2.3
474.16583	3.4
476.18167	2.6
487.17279	1.7
488.17929	1.0
494.19315	2.0
576.29987	0.7
579.97485	0.6
583.25562	4.0
599.24634	1.6
602.67371	0.6
609.23224	1.6
627.24475	13.1
628.24939	2.0
641.26013	9.6
642.25940	0.9
659.27045	1.5
698.26300	0.9
699.25964	0.9
803.31738	1.0
832.98071	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	821.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72665	0.9
60.08795	0.8
65.03931	1.2
66.04696	0.8
70.18871	0.8
77.03930	1.3
91.05482	24.1
91.06013	1.7
93.07042	17.2
95.04973	7.3
103.05470	15.4
105.04502	1.6
105.07037	1.5
107.04968	2.7
109.06507	0.9
110.03629	0.8
110.64476	0.8
111.04453	1.1
115.05447	1.9
119.04947	12.7
120.05704	2.6
121.06510	100.0
122.03667	2.0
122.06841	2.6
123.04446	1.0
125.06000	1.5
130.04105	1.0
132.24718	0.8
133.02856	4.3
133.06508	1.0
135.04401	1.4
136.07607	0.9
137.05980	36.9
137.07048	1.8
138.06300	1.0
138.09152	2.0
141.03343	2.7
145.02856	1.9
145.06464	1.2
146.05939	1.0
147.04398	15.4
149.05974	3.3
150.06734	1.3
151.03937	4.0
151.07526	2.7
161.06013	3.6
163.04008	1.3
164.07019	5.1
165.05482	1.6
166.08607	1.1
167.07002	4.5
172.05171	1.0
173.06007	1.8
175.04005	1.0
176.54703	1.0
177.05447	2.5
179.07040	3.9
179.08495	2.0
181.04964	3.3
187.07600	1.2
189.06978	2.9
191.07109	4.7
192.05655	1.9
194.07257	1.6
196.09920	0.9
199.07536	1.7
201.05330	45.0
202.05824	2.0
205.04755	1.4
205.06473	4.8
206.07231	1.0
207.06416	1.1
207.08118	5.4
211.07512	1.1
217.06450	1.2
218.07173	2.0
219.08148	3.1
220.05200	10.1
221.05919	2.4
222.06779	3.9
225.05598	1.9
229.13879	0.8
233.05940	3.4
233.09747	1.7
234.06746	4.7
235.07527	41.2
236.07921	3.1
237.05481	2.0
237.09053	12.2
239.07014	1.0
239.11696	1.5
241.13329	4.1
244.06033	2.5
246.06735	1.4
247.07521	3.5
248.04726	8.1
248.07169	1.0
248.08310	1.4
249.05528	3.5
249.09340	1.8
250.06194	4.4
251.06935	2.0
251.11475	0.9
252.07863	1.4
255.06531	1.2
258.06805	1.8
261.09039	4.2
263.07028	55.5
264.07269	5.3
265.05017	4.5
265.08603	21.9
266.09320	1.9
267.06531	1.2
267.10938	1.3
276.04288	2.9
276.07547	1.1
277.08905	3.5
278.09689	1.6
279.11017	1.9
280.07309	10.5
282.08841	14.2
283.09348	1.3
288.60260	0.8
289.08566	3.2
290.09369	1.2
291.06516	40.7
291.09872	2.2
292.07346	3.5
293.04620	1.4
293.08069	2.8
293.11945	0.9
295.09625	3.7
296.10425	1.8
297.11200	7.7
301.08432	2.1
303.05194	0.8
305.09027	3.0
306.08771	3.0
307.09619	9.3
308.06882	4.9
309.07846	0.9
309.11380	2.0
310.09506	1.8
313.10730	1.7
315.06372	1.3
317.08102	1.6
318.09027	1.2
319.09427	1.1
321.07516	3.4
321.11319	6.0
323.09143	59.5
324.09485	3.2
325.10983	1.3
327.08478	1.0
333.11411	4.3
335.09085	1.1
335.12720	1.2
347.08951	3.1
349.10617	6.7
351.09714	3.2
353.10147	1.3
361.10629	2.0
364.11859	1.5
369.10379	1.6
379.11847	5.0
383.12302	9.6
388.11932	5.5
397.12888	4.7
415.54001	0.8
416.14465	1.2
418.12698	1.2
423.56741	0.8
451.11795	1.5
454.13058	1.7
454.18704	1.1
457.15945	1.3
460.17673	12.6
461.17703	1.6
469.12766	1.3
470.15884	2.4
471.14594	1.3
475.17603	1.0
483.14594	1.2
484.17432	2.0
486.15186	9.6
487.15466	1.1
499.13266	1.1
501.15295	3.6
503.17065	2.3
512.16809	3.4
519.16400	5.7
524.16956	1.0
536.19592	0.9
542.17889	2.0
547.15704	1.3
560.19250	5.3
561.19067	1.1
608.22217	1.3
609.23383	1.3
622.23785	1.8
636.21387	2.3
638.23938	5.7
639.24286	1.5
640.24939	4.7
649.24365	1.6
656.24896	56.1
657.24976	8.3
666.22876	4.5
684.24390	56.7
685.24573	8.3
771.60626	0.9
821.25549	2.3
822.26019	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	821.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36506	0.7
58.56097	0.9
65.03945	1.5
70.20453	2.9
81.03416	1.4
91.05487	20.1
91.34115	0.8
93.07048	15.8
94.04192	1.3
95.04976	4.4
103.05466	12.3
105.04518	2.0
115.05443	2.0
117.03414	1.6
119.04940	8.0
120.05719	1.5
121.06507	100.0
122.03635	1.4
122.06858	2.4
123.04437	1.2
129.44023	0.7
130.04115	1.0
133.02864	1.9
135.04332	0.9
137.05984	24.5
137.07056	1.4
138.06297	1.2
141.03366	3.1
145.02847	1.4
147.04404	11.1
149.06004	4.0
149.74690	0.9
151.03886	1.4
151.07530	2.2
159.55542	0.8
161.05989	2.1
162.06783	1.2
164.07117	4.8
167.07100	2.0
173.05890	0.9
175.03937	1.2
177.05444	2.4
178.07861	1.2
179.07005	3.4
179.08592	2.2
181.04945	1.0
189.06952	3.9
190.07661	1.1
191.06952	4.2
192.05632	1.8
194.07233	1.5
201.05331	51.6
202.05734	2.4
205.06526	5.1
206.07224	1.0
207.08098	7.1
218.07281	1.0
219.08105	2.7
220.05177	10.5
221.05865	2.6
222.06770	3.7
225.05511	2.3
233.05968	2.8
234.06758	3.7
234.16655	0.8
235.07532	42.8
236.07921	1.8
237.05484	2.6
237.09119	11.9
239.06929	1.4
244.05959	3.2
245.05930	0.9
246.06680	1.2
246.14330	0.8
247.07573	3.1
248.04739	8.4
248.07158	0.9
248.08293	1.2
249.05424	3.4
250.06264	4.8
251.06973	2.0
252.07774	1.5
258.06833	1.2
261.09113	2.9
263.07037	56.4
264.04965	0.8
264.07468	5.6
265.04968	4.7
265.08600	22.6
265.11322	1.5
266.09180	2.2
267.06625	1.6
267.10242	1.3
276.04178	2.2
277.05093	1.5
277.08533	1.8
279.10370	0.9
280.07312	8.7
281.08011	1.3
282.08868	17.2
283.09311	1.4
289.08643	2.5
290.09012	1.4
291.06512	44.6
291.09875	1.7
292.07086	4.7
293.04703	1.3
293.07932	2.1
293.11560	1.4
294.08826	1.1
295.06619	1.3
295.09521	5.3
296.10223	1.3
297.11212	9.5
301.08420	0.9
306.08679	2.7
307.09595	7.4
308.06842	4.8
308.09802	0.9
309.07538	1.0
309.11176	1.6
310.04825	1.0
313.10730	3.3
315.06357	1.5
319.09460	1.0
321.07428	2.7
321.11227	7.7
323.09134	62.3
324.09521	4.7
325.10623	1.9
333.11200	2.7
347.09247	3.8
349.10553	3.4
351.12195	1.9
353.10184	1.4
361.10703	1.3
364.11810	4.3
376.11551	1.2
379.11786	4.4
388.11734	6.3
397.12881	3.0
458.15845	2.0
460.17587	23.1
461.17819	3.2
469.12738	2.7
470.15942	2.3
471.14371	1.4
484.17145	1.5
486.15451	10.9
488.16708	2.9
501.15363	4.7
512.17053	3.2
519.16693	4.3
524.16638	1.7
529.14941	1.0
536.20319	1.4
542.18237	3.7
547.15656	1.5
560.19067	5.2
608.22589	3.3
636.22217	4.0
638.23828	10.4
639.24573	1.0
656.24860	55.3
657.25122	6.9
666.13300	1.2
666.23273	7.7
667.24341	1.0
684.24365	57.3
685.24585	9.6
782.21735	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	822.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.1
57.07069	1.1
59.04994	1.0
61.02937	4.7
65.03934	2.0
67.05508	39.1
68.05847	0.8
69.03419	3.6
69.07072	12.4
71.04979	4.2
71.29650	1.0
73.02903	2.4
79.05495	29.6
81.03419	32.7
81.07059	54.2
82.07388	1.2
83.04984	7.8
83.08146	1.2
83.08621	15.6
84.51853	0.9
85.02908	7.1
85.06532	2.9
88.80042	0.9
91.03934	4.0
91.05479	23.4
93.07046	33.0
94.60091	1.0
95.04967	14.1
95.08614	16.6
97.02898	3.4
97.06544	8.9
97.10167	11.1
99.04456	1.3
99.08081	2.7
103.05437	0.9
105.04553	1.0
105.06358	0.8
105.07029	14.0
107.04971	6.4
107.07861	1.2
107.08592	23.3
108.08909	0.8
109.06515	5.8
109.10150	7.1
111.04459	4.6
111.08073	5.4
115.05422	1.5
117.07009	9.0
119.07762	1.5
119.08573	13.2
121.06519	6.0
121.10142	13.0
123.04427	1.1
123.08071	7.8
123.11713	1.9
125.09646	8.4
127.03918	1.4
128.06204	0.8
129.06996	5.7
130.07785	0.7
131.04939	0.9
131.08559	12.3
133.06488	2.5
133.10138	11.1
135.08075	4.1
135.11707	8.5
137.09579	4.0
139.11198	1.3
141.07091	1.1
142.07819	1.3
143.08528	4.0
145.04958	1.8
145.06508	0.9
145.10129	6.9
147.08020	3.6
147.11713	5.2
149.09579	4.9
149.13249	13.2
151.11096	0.9
153.09064	1.4
153.12738	2.0
155.08557	1.9
157.10135	5.2
159.08116	1.3
159.11684	7.5
161.09618	3.3
163.05956	1.3
163.11168	5.6
164.66747	0.9
165.09126	1.6
165.12781	1.5
167.08607	0.8
169.10170	1.9
171.11742	1.6
173.09479	1.2
175.11182	3.5
177.12723	3.0
181.12183	1.6
185.13220	1.2
187.11356	0.9
189.11226	4.9
191.10655	1.4
193.12277	9.3
195.13831	7.2
211.13158	1.6
213.14778	0.9
219.13797	2.3
223.13109	1.1
227.12733	5.4
251.16539	1.8
263.20068	0.8
267.15903	31.9
268.16238	1.6
269.17490	24.4
270.17850	1.2
273.18488	8.2
283.15170	1.0
291.19550	16.2
292.19772	1.1
308.54123	0.9
309.20459	2.0
324.53201	0.9
347.22131	2.8
353.24716	2.0
365.23340	7.9
371.25586	1.8
383.24347	6.7
413.21765	1.1
437.25464	1.0
445.29459	11.8
446.29950	1.3
447.27969	1.6
455.27994	2.5
459.27438	2.3
463.30545	100.0
464.30753	10.4
465.29865	2.4
469.82150	1.1
473.28537	0.9
477.28543	2.6
483.31100	1.5
521.32214	1.5
539.33795	7.0
557.34747	28.5
558.34711	3.3
575.35791	17.5
576.36383	2.1
607.34131	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	822.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00704	0.4
57.03196	0.6
57.03440	7.0
57.07067	1.4
57.29338	0.3
57.73836	0.3
59.04996	0.7
61.02934	4.4
65.03944	1.9
67.05505	37.5
68.05828	0.7
69.03426	1.8
69.06687	0.7
69.07069	13.5
70.07397	0.4
71.04999	3.3
71.08628	0.3
73.02917	1.7
74.52404	0.4
79.05492	22.9
80.05812	0.5
81.03421	5.0
81.07057	49.4
82.07396	1.3
83.04977	4.6
83.08618	10.2
85.02903	6.6
85.06564	2.1
86.15721	0.3
86.67561	0.5
87.04469	1.0
91.03960	3.3
91.05478	15.7
92.05850	0.6
93.07043	33.0
94.07418	0.6
95.04969	5.8
95.08605	11.3
96.08933	0.6
97.02899	3.1
97.06532	6.8
97.10155	2.3
97.23931	0.4
99.04464	1.0
99.08096	2.0
103.42746	0.4
104.08218	0.4
105.04557	0.7
105.07030	7.2
107.04961	1.7
107.08595	19.8
108.08923	0.8
109.02884	0.9
109.06525	2.3
109.10157	5.2
110.10493	0.6
111.04448	1.1
111.08079	4.0
111.11720	0.7
113.06017	0.4
113.09674	0.4
117.07018	6.8
119.08572	3.6
121.06503	1.5
121.10140	11.1
121.11014	0.5
123.08107	0.6
123.11721	1.9
125.09634	1.3
127.03903	1.7
128.06200	0.4
131.08571	7.0
133.10143	7.5
135.08092	1.9
135.10699	0.4
135.11699	6.6
137.09618	0.4
139.11134	0.8
143.08592	0.5
145.04976	1.1
145.06485	0.4
145.10152	1.6
147.11681	1.3
149.09653	1.7
149.13258	13.2
150.13625	0.4
151.11205	0.9
153.64044	0.4
157.10127	1.1
159.11693	6.9
161.09625	0.5
163.06068	1.4
163.11182	1.8
165.12738	0.8
170.70760	0.4
173.09752	0.5
173.11765	0.8
175.11221	0.7
177.12718	3.2
184.07472	0.5
189.11200	0.8
193.12279	1.0
195.13814	7.6
209.11732	1.1
211.13321	0.6
213.14856	1.0
223.13390	0.5
227.12811	1.3
229.14388	1.5
251.16582	0.9
257.19028	0.8
267.15891	3.0
268.16214	0.6
269.17477	34.7
270.17886	1.7
275.20108	2.9
276.20541	0.8
283.15475	1.3
301.16617	0.9
349.23807	1.8
380.18475	0.4
406.38574	0.4
423.27484	0.4
445.29474	0.5
463.30536	100.0
464.30899	10.1
503.33383	0.6
539.33881	0.5
541.34998	0.7
543.36243	0.4
557.34778	1.4
559.36554	0.8
561.36926	0.5
575.35718	1.3
593.36664	0.4
607.35144	2.3
822.54071	0.7
823.43958	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.6
57.07078	1.5
57.54173	1.0
61.02927	3.2
65.03954	0.9
66.69791	0.9
67.05509	30.4
69.07072	11.0
71.01346	1.1
71.05019	1.8
73.02901	1.3
76.60896	1.1
79.05499	18.8
79.05956	1.0
81.03434	2.8
81.07061	37.9
83.04987	3.8
83.08618	9.2
85.02919	3.3
85.06567	1.5
86.09744	1.1
91.03960	1.8
91.05496	9.5
93.07049	30.0
94.07413	1.3
95.04985	2.7
95.08604	9.3
97.02879	1.8
97.06538	6.6
97.10128	1.5
99.08081	1.1
105.07020	4.6
107.08597	17.8
109.06526	1.6
109.10160	3.2
111.08085	4.2
117.07018	4.0
118.51387	0.9
119.08648	2.1
121.10156	9.7
123.11749	1.5
129.07014	1.3
131.08559	6.4
133.10136	3.5
135.11726	3.9
139.11154	0.9
145.04980	1.3
149.09555	1.6
149.13266	16.7
156.49055	0.9
159.11723	6.3
163.06036	1.1
166.43884	1.0
170.35776	1.0
177.12769	3.1
184.07423	2.4
195.13799	5.7
200.16635	0.9
213.14905	1.0
230.96117	0.9
252.10602	0.9
267.15656	1.0
269.17484	46.8
270.17831	3.3
275.19980	1.3
339.17975	0.9
463.30548	100.0
464.30869	7.8
486.10474	1.0
593.36688	1.3
600.68457	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	822.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.7
65.03957	2.3
67.05507	39.8
69.03433	5.3
69.07065	15.6
71.05007	4.0
71.30660	1.4
77.03945	1.6
79.05492	40.0
81.03419	74.7
81.07056	63.4
82.07395	1.9
83.04997	11.4
83.08618	24.0
85.02911	4.4
85.06553	2.5
91.05482	34.9
91.06017	2.6
93.07048	29.5
95.04974	35.9
95.08599	17.3
97.02908	2.4
97.06522	8.3
97.10184	20.0
97.25949	1.4
99.04478	1.4
99.08083	3.1
105.07025	23.7
107.04961	12.9
107.08593	25.1
109.02872	1.6
109.06525	13.8
109.10159	12.0
109.14007	1.8
111.04434	11.6
111.08086	12.5
115.05505	2.2
117.07033	11.9
118.59962	1.4
119.08581	28.3
120.62794	1.4
121.06547	9.4
121.10136	14.5
123.08073	22.5
125.09632	23.1
128.06161	1.6
129.07002	17.0
131.08568	15.5
133.06499	5.1
133.10138	11.1
135.08020	7.3
135.11681	9.1
137.09633	6.7
139.11212	1.7
141.07098	1.9
142.07806	4.2
143.08586	5.6
145.06462	2.6
145.10114	15.4
147.08067	11.4
147.11678	11.5
149.09593	11.2
153.09146	5.1
153.12689	7.0
155.08606	3.6
157.10132	11.8
159.08087	2.6
159.11697	4.4
161.09637	8.3
163.11200	15.9
165.09167	4.3
165.12845	2.3
171.08002	1.7
171.10310	2.0
171.11705	4.9
172.66743	1.6
173.09677	4.0
175.11192	11.1
181.10124	1.5
181.12274	5.3
185.13266	1.7
187.11263	2.4
189.11235	13.9
189.12769	2.3
191.10701	4.5
193.12254	25.6
195.11723	1.6
199.11282	1.8
205.12334	2.1
207.13783	1.9
209.11682	2.0
211.13272	3.2
219.13718	7.8
223.13300	3.1
227.12749	15.4
229.14288	1.9
245.19014	3.5
249.14902	3.3
255.17578	3.1
267.15909	93.1
268.16232	6.0
269.17535	1.4
273.18488	33.0
274.18747	2.0
283.15363	3.6
291.19543	54.9
292.20044	3.4
292.47177	1.3
309.20618	8.4
313.21545	2.4
329.21158	2.4
347.22287	8.5
364.67551	1.5
365.23227	28.1
377.59668	1.4
383.24274	21.2
385.23798	2.0
403.24988	3.6
433.25616	2.2
447.28189	9.9
459.27304	2.6
463.30612	2.5
465.29999	6.3
477.29166	2.0
483.30948	6.3
493.27826	1.6
501.31784	2.0
504.13144	1.5
513.34821	1.5
539.33649	19.9
540.34204	2.3
557.34717	100.0
558.35260	9.3
575.35748	60.7
576.36353	7.6
589.36884	1.8
800.64697	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	822.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.9
57.07076	3.1
59.05003	17.9
60.42249	1.0
61.02939	2.9
65.03938	5.5
67.05507	100.0
68.05817	1.5
69.03431	6.2
69.07076	17.8
69.79531	3.9
70.06586	1.6
71.01365	1.1
71.04993	13.7
73.02927	1.4
79.05496	47.6
80.05827	1.9
81.03434	9.1
81.07059	88.5
82.07419	1.2
83.04980	10.2
83.08620	22.9
83.57111	1.1
85.02903	5.7
85.06540	4.6
87.04478	18.9
88.07626	2.2
91.05483	34.9
93.07050	31.7
95.04975	13.3
95.08614	27.5
97.02908	3.4
97.06532	10.6
97.10177	11.4
99.04466	9.7
99.08078	3.2
102.09185	2.1
103.05460	2.4
105.07040	32.3
105.07761	1.6
107.04945	11.8
107.08591	23.0
108.08956	1.8
109.06525	15.5
109.10159	56.1
110.10545	2.1
111.01228	1.2
111.04464	4.2
111.08083	7.9
113.06065	1.3
115.05480	2.0
117.07010	7.3
119.08588	29.8
121.06506	6.8
121.10146	15.4
123.08056	8.5
123.11698	6.7
125.09641	9.2
128.06227	1.3
129.05498	1.5
129.07013	3.6
131.08577	13.7
133.06534	2.4
133.10133	16.6
135.08075	4.9
135.11647	7.2
137.09637	5.6
139.11186	1.7
141.06946	1.8
143.08557	2.8
145.06516	1.6
145.10121	13.3
147.08017	2.7
147.11687	17.0
149.02361	10.4
149.09648	11.4
149.13277	6.3
151.11169	3.7
153.09070	1.2
153.12741	1.8
155.08566	2.6
155.10661	4.4
157.10147	4.4
159.08075	1.3
159.11714	8.5
161.09651	3.8
161.13324	1.6
163.11179	13.5
165.12769	5.2
169.10143	3.1
171.11673	2.0
173.09650	1.5
173.10278	1.5
173.11774	19.0
173.13187	2.4
175.11214	3.7
177.12744	3.4
179.12854	1.1
179.14436	1.3
181.12157	1.9
183.11690	2.9
184.07266	3.3
185.13274	1.6
189.12840	1.5
191.10712	3.1
193.04971	5.5
193.12245	2.9
197.13260	1.8
199.13307	4.6
209.11725	1.9
211.13266	2.5
217.14331	2.5
223.13190	1.5
227.12848	5.1
228.23224	6.9
229.14349	68.5
230.14671	3.3
239.17935	3.4
241.14302	3.2
247.20558	3.4
257.19037	7.1
259.15469	1.6
267.15778	6.6
269.17361	2.4
273.18521	1.6
275.20053	66.2
276.20444	4.7
283.15433	3.1
291.19629	1.5
293.21115	11.2
301.16403	2.9
315.18152	7.5
329.21085	1.7
349.23737	26.2
350.24060	2.9
367.24777	16.3
420.19760	1.3
491.33627	2.2
503.33655	40.8
504.33768	4.6
509.34341	2.3
513.23035	1.6
521.34778	25.4
522.34943	1.7
543.36163	1.5
549.34424	2.4
557.34656	1.8
561.37427	1.4
568.81781	1.5
575.35699	2.4
589.37750	1.4
607.38171	2.4
651.78027	1.3
822.36139	7.2
823.44550	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.2
57.07062	2.4
58.90833	1.6
67.03910	2.0
67.05505	41.7
69.03430	9.4
69.07074	27.3
69.45307	8.8
69.45725	3.8
71.05022	2.3
77.31205	2.2
79.05496	32.7
81.03407	5.3
81.07059	38.6
83.05015	2.5
83.08640	11.3
83.09046	2.2
86.09714	14.0
91.05478	17.4
93.07051	29.6
95.04956	8.4
95.05501	1.8
95.08611	24.9
97.02898	7.2
97.06540	3.3
97.10173	9.2
105.07027	12.9
106.25315	1.6
106.85463	1.8
107.04955	5.3
107.08595	16.6
109.06528	3.6
109.10151	10.8
111.08071	2.4
117.07030	7.3
119.08583	10.1
121.06473	3.6
121.10123	11.0
123.08070	2.1
123.11756	3.8
124.99989	4.3
125.09640	8.6
127.11127	2.2
129.07014	4.3
131.08559	8.2
133.10135	8.6
135.08064	3.2
135.11725	5.3
137.09641	2.1
143.08476	2.8
145.10149	7.1
147.08067	5.7
147.11678	2.4
149.09740	1.8
149.13254	4.0
150.35161	1.6
157.10124	3.3
159.11649	5.1
161.13251	3.1
173.09224	1.8
173.13258	3.2
175.14879	2.1
184.07370	28.3
189.11238	1.9
216.57344	2.0
223.13327	15.5
227.12851	4.0
227.18127	1.9
243.21046	1.8
249.14980	2.8
261.22141	5.3
273.18506	11.1
291.19543	100.0
292.09555	2.1
292.19949	5.8
316.25433	1.9
335.25769	57.6
336.26151	5.4
347.22043	2.5
364.06293	1.9
365.23212	47.4
365.55124	1.9
366.23685	3.0
550.03607	2.3
551.49261	1.8
607.43414	2.6
625.34955	3.5
625.44611	49.2
626.44849	5.5
757.48914	2.0
765.13947	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	11.5
60.08167	6.6
66.01323	4.6
67.05508	82.9
69.07067	24.3
71.04996	9.5
79.05499	69.6
81.03394	13.4
81.07063	86.2
83.04990	54.8
83.08606	13.5
85.06535	6.4
86.09721	21.7
91.05488	54.9
93.07059	61.5
95.04983	18.0
95.08603	60.8
97.06571	9.0
99.08131	5.2
100.11732	5.1
105.07039	49.8
107.04948	7.9
107.08593	50.2
109.06520	15.6
109.10175	52.7
111.24872	4.4
117.07032	16.8
119.08570	26.6
121.10144	21.5
123.08034	9.6
125.00026	17.8
129.07092	4.9
131.08575	22.6
133.10136	49.1
133.84196	4.5
135.08047	8.9
135.11700	18.2
137.09631	7.1
141.33623	4.9
143.08536	11.3
145.10139	12.4
147.08075	7.4
147.11702	13.1
149.09673	5.4
149.13280	7.0
150.37883	5.4
151.11191	22.7
157.10205	6.6
159.11691	8.0
161.09674	12.2
161.13309	5.8
163.11159	7.9
173.13301	6.9
175.14870	8.9
184.07350	93.8
189.11205	4.9
195.77812	5.4
199.11133	5.8
215.12646	5.8
227.18089	6.2
229.19727	5.0
245.19020	5.3
253.14319	51.9
255.17386	5.3
261.22253	11.6
273.18542	41.9
291.19492	46.3
333.24274	7.2
335.25793	100.0
336.25958	5.3
347.22098	9.3
365.23230	71.7
407.48270	5.7
496.16949	6.0
531.37128	8.1
625.44617	88.5
626.44928	11.3
730.76617	5.9
822.48425	22.3
833.44531	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.0
60.08165	7.0
60.20318	5.9
65.03938	5.8
67.05505	100.0
69.07074	32.2
69.67757	24.0
71.09818	4.7
79.05498	78.5
81.03437	8.6
81.07057	93.3
82.77764	5.1
83.04968	32.7
83.08632	11.9
86.09712	24.3
91.05473	76.3
93.07044	69.0
95.04989	10.4
95.08617	51.4
97.06544	11.4
97.10153	7.9
98.23248	9.3
105.07027	60.6
107.04974	8.8
107.08600	52.7
109.06512	11.7
109.10143	58.2
109.72341	5.7
117.07039	15.6
117.55785	5.7
119.08551	26.5
121.10159	20.0
123.11695	14.2
125.00024	13.7
129.07011	12.5
131.08566	22.7
133.10136	62.8
135.11685	12.5
143.08530	7.1
145.10132	16.9
147.11722	16.0
149.09622	8.2
149.13329	7.8
151.11227	24.0
159.69853	5.9
161.09624	6.5
161.13254	10.4
169.12242	7.4
173.13312	7.7
184.07306	63.3
185.13449	5.7
253.14352	73.1
259.20477	12.1
261.22263	18.2
273.18448	21.8
291.19571	19.7
333.24243	8.1
335.25836	85.7
365.23260	23.8
408.62274	5.7
428.00629	5.7
531.36401	25.0
566.88983	5.5
592.80664	6.4
625.44598	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70828	10.4
62.73324	7.6
67.05506	61.8
69.07062	40.8
71.29994	9.1
76.94672	9.2
78.33627	8.0
78.50015	8.4
79.05489	53.1
81.07066	68.3
83.08612	11.0
85.97469	8.1
86.09718	21.5
91.05476	67.3
93.07037	73.0
95.01317	13.3
95.05004	12.8
95.08599	56.0
97.06522	21.2
100.75915	10.3
105.07027	96.6
107.04968	19.9
107.08607	28.3
109.10147	14.5
117.06998	14.7
119.08587	65.3
121.10197	20.3
125.00028	13.9
125.09632	9.5
131.08554	30.2
133.10121	68.2
135.11729	13.5
143.08597	13.2
145.10118	36.8
147.11702	23.7
157.10115	15.2
159.11720	19.8
161.13211	19.5
173.13249	16.6
175.14812	11.3
179.14384	14.4
184.07359	77.6
196.82721	9.4
203.51942	8.5
204.32220	8.0
241.19566	18.7
241.94931	8.8
259.20630	18.5
275.19983	60.0
311.57397	9.8
315.23056	17.4
333.24203	63.7
349.23621	52.0
607.43311	100.0
608.43994	19.2
615.49011	10.8
693.54211	10.2
822.46191	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	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.8
57.07070	5.7
64.45665	2.8
65.03931	3.8
67.05146	4.5
67.05508	83.7
67.12886	2.8
68.52925	3.0
69.03415	5.3
69.07077	36.8
69.22882	12.0
69.23289	7.2
71.05007	8.0
79.05498	85.5
80.05842	4.7
81.03420	11.5
81.07062	76.9
82.07401	7.1
83.04988	12.3
83.08628	44.2
85.02914	8.0
85.06545	4.4
86.09715	9.7
91.05485	92.1
92.05798	6.3
93.07043	82.6
95.04975	69.1
95.08612	50.4
97.06544	12.4
97.10179	16.4
99.04449	5.9
99.08074	4.0
105.07034	100.0
106.07403	4.1
107.04974	12.4
107.08604	55.4
109.06537	12.7
109.10171	30.8
111.04463	7.2
111.08080	7.9
113.09647	4.0
117.07028	35.7
119.08589	65.8
120.08920	4.1
121.06543	10.2
121.10150	34.9
123.05563	2.8
123.08080	9.2
123.11729	6.1
125.00049	6.3
125.09621	15.0
127.03855	3.6
128.06290	3.1
129.07007	12.3
131.08571	40.2
133.06517	3.8
133.10143	52.0
135.08063	7.4
135.11676	21.1
137.09618	6.8
139.11139	4.2
141.06946	6.9
142.07790	4.7
143.08556	16.1
145.06520	3.8
145.10123	38.2
147.08066	7.8
147.11671	38.1
149.09616	22.9
149.13266	8.4
153.09207	5.6
155.08600	4.1
157.10164	15.9
159.08032	3.5
159.11732	25.3
161.09631	3.6
161.13249	25.9
163.11212	34.3
169.10172	8.6
171.11713	15.8
173.11885	5.1
173.13193	16.0
175.14882	10.1
177.12819	6.6
183.11765	6.4
184.07335	31.4
185.11797	3.5
185.13310	11.7
187.14879	5.5
189.11208	9.1
197.13312	6.4
199.14888	7.2
201.12836	3.2
205.12265	4.5
209.13263	3.3
223.13287	40.2
223.15042	4.0
227.12793	5.3
229.19525	3.2
231.20988	6.2
239.17976	6.1
241.19583	24.1
257.18933	15.0
258.19528	2.9
259.20581	49.3
260.21100	3.0
267.23431	2.8
267.33368	3.0
273.18439	4.8
275.20099	62.6
276.20233	5.9
277.21689	5.9
293.21121	22.4
315.23251	10.7
333.24246	80.4
334.24567	9.9
335.25726	4.5
343.75095	3.4
349.23740	22.5
350.24277	4.6
367.24838	35.4
368.25177	4.1
434.21246	3.2
497.36023	4.6
499.34369	5.6
533.39661	4.4
607.43622	15.9
624.43274	5.3
625.44696	70.5
626.44763	9.8
642.44318	4.2
643.45374	6.3
660.44086	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	823.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41765	1.8
82.14628	0.7
83.08610	1.1
91.05445	0.8
100.07594	0.7
100.11267	5.2
119.04934	1.4
120.04474	5.5
123.00518	1.0
125.30908	0.7
141.01636	1.7
147.04442	0.8
153.01799	4.3
158.05852	2.8
160.03694	5.6
182.15349	1.7
184.99962	0.9
204.06396	3.7
209.16504	1.2
210.14993	1.0
218.08179	1.4
227.17558	0.9
233.07808	1.0
238.82191	0.9
242.04236	1.3
250.05801	0.9
259.05612	2.7
260.05356	14.8
276.72888	2.0
277.06693	6.8
278.05157	2.5
281.45273	0.7
286.06900	2.5
304.07928	9.2
340.26038	3.1
340.76251	1.8
423.11606	100.0
424.11981	7.4
441.11505	4.3
449.23636	0.7
508.81461	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	823.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89429	0.8
66.96481	0.8
67.05518	0.9
69.03426	1.3
70.06589	2.7
71.28422	0.8
79.05499	1.9
80.05045	1.1
81.03410	1.4
81.05802	1.3
81.07037	1.2
82.06603	1.3
85.02905	2.1
91.05529	2.1
93.07039	4.9
94.06566	6.2
95.07368	4.2
96.08138	11.3
97.06552	1.2
103.05457	1.2
108.04462	0.9
108.08125	10.5
109.08909	1.0
110.09678	22.0
116.05019	2.1
118.06559	1.8
120.04493	4.3
120.08111	17.2
121.08443	0.9
122.06059	4.3
124.07622	6.7
127.04013	0.9
134.06000	1.3
136.07582	7.2
137.05978	1.1
138.05524	3.6
138.09143	34.4
144.04501	4.2
146.05998	4.0
148.07614	5.3
150.09137	2.0
152.07047	0.9
153.01875	5.1
160.03922	1.3
162.05519	3.7
164.07072	1.1
166.05029	2.9
166.08647	59.1
167.08954	2.1
172.03943	25.7
172.05394	1.6
174.05516	1.5
178.04993	1.7
190.04985	13.5
197.10794	0.8
199.12357	0.9
204.06561	14.3
205.06870	1.1
209.10815	1.7
212.09464	1.9
213.10222	1.1
216.06596	1.3
222.11743	0.9
223.08565	1.4
223.12303	1.7
224.09352	1.0
225.10143	4.3
226.10947	0.9
227.11826	3.4
235.08658	1.2
236.09448	2.5
237.10246	9.8
238.10976	2.3
239.08109	1.3
239.11789	3.9
241.09875	1.2
243.11298	1.3
245.12881	1.4
247.14539	2.7
249.10263	1.4
251.08153	2.0
251.11844	6.6
252.09084	2.0
252.12413	1.1
253.09659	5.3
253.13480	1.6
255.11281	2.6
263.11890	2.6
265.09796	13.5
266.10419	4.3
267.11237	4.4
269.12805	3.0
271.10825	3.1
273.12317	5.6
278.06595	5.0
279.11249	8.1
280.08682	1.2
280.11960	1.9
281.09229	2.4
281.12878	2.9
283.10730	5.0
285.12335	2.8
287.13684	1.3
292.08133	2.7
293.09225	14.4
294.09885	3.1
295.10849	1.7
297.12329	7.3
299.10306	3.1
299.13718	1.8
300.11118	1.2
307.10730	3.3
309.12424	3.7
311.10260	3.3
312.11111	2.9
313.11728	4.7
323.10181	2.3
325.11807	20.3
335.10269	6.8
340.10440	2.4
341.11389	11.8
343.13007	1.9
353.11304	11.6
354.11618	1.5
357.14423	7.6
358.14795	1.1
373.13971	10.8
385.13971	5.1
388.17188	1.2
398.14871	2.0
399.15414	1.6
406.17514	0.9
416.15829	0.9
418.17484	1.6
440.16241	1.0
446.17068	1.1
458.17023	2.3
460.18741	2.6
462.19968	1.3
464.17993	1.3
465.18851	6.1
478.19644	3.7
487.17126	1.1
488.17886	5.7
506.19260	100.0
507.19531	8.4
510.22159	1.4
520.20764	2.6
538.21881	49.0
539.22345	5.9
565.51099	0.9
611.25250	9.3
643.27039	1.4
669.25427	1.3
773.29895	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	824.333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54553	0.7
65.03934	4.3
67.05493	1.7
69.03423	1.4
69.07181	3.1
69.07614	2.6
75.04462	2.2
78.04711	1.9
79.05502	4.2
79.05855	0.6
81.03405	2.1
81.07056	0.7
82.04192	0.9
85.02901	4.5
87.72785	0.8
90.04654	0.8
91.05470	7.4
93.03398	8.7
93.07039	3.5
95.04966	3.7
97.02910	1.6
97.06523	2.2
98.23397	1.2
102.71032	0.8
103.05471	13.1
105.04548	0.8
105.07031	5.2
106.04179	11.9
107.04959	6.8
110.03702	0.9
111.04430	1.6
111.63280	0.7
115.05445	4.3
117.07011	3.5
118.04153	3.0
119.04955	2.0
121.06513	15.9
123.04424	4.0
124.05219	1.9
125.06007	5.9
130.04112	1.2
131.04933	11.1
132.05661	0.9
133.02815	0.8
133.06494	5.9
134.03656	2.5
135.04405	1.7
135.08038	1.0
137.05962	4.0
138.03084	1.1
138.09122	0.8
139.07555	1.5
142.02583	1.1
145.02812	1.3
145.06476	3.5
147.04308	1.0
147.08049	1.2
148.05197	7.2
149.05980	23.9
151.03923	3.1
151.07571	1.5
152.04666	1.0
153.01819	2.2
153.05489	2.3
153.09102	8.0
155.06035	1.5
159.08076	0.9
161.05972	6.7
163.03900	1.2
163.07532	12.6
166.06288	0.7
166.08594	1.3
167.07043	33.2
168.07394	0.8
171.06534	1.8
173.05997	3.6
175.07512	3.0
176.04691	1.5
177.05469	16.0
177.08958	0.8
177.89822	0.8
179.07005	1.6
181.04958	43.1
181.08572	14.5
182.05267	1.3
187.07516	2.4
191.07033	49.1
192.07478	3.2
193.04878	1.1
193.08505	2.2
195.06499	3.2
201.05412	1.5
203.07054	1.6
205.08600	2.1
207.06468	1.4
207.08214	1.0
207.10080	1.5
209.08083	100.0
210.08455	3.2
217.08601	2.2
219.08134	1.3
219.10152	2.4
233.08078	3.3
235.07571	0.9
235.09586	4.3
245.08144	1.3
263.09119	14.2
267.10129	2.7
295.09818	0.9
297.11166	1.4
304.13770	0.9
325.10703	2.7
357.13232	4.1
369.13080	1.1
385.12875	6.4
387.14536	1.0
399.14395	3.1
405.57281	0.8
417.15466	16.5
418.15457	1.0
506.19131	1.0
507.19287	1.2
508.53903	0.8
538.22058	1.0
609.22900	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	824.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.9
65.03941	4.5
67.05492	1.3
69.03429	1.2
71.04964	0.8
71.29768	0.7
75.04457	1.8
77.03922	0.9
78.04709	2.1
79.05499	4.4
81.03411	2.5
81.07049	0.8
82.04184	1.5
85.02914	4.3
89.03909	1.4
91.05489	8.1
93.03413	8.1
93.07035	4.1
93.77365	0.5
95.04984	3.9
97.02896	1.0
97.06538	2.1
102.04694	0.6
103.05475	14.5
105.03386	1.1
105.04519	1.1
105.07028	6.1
106.04175	13.5
107.04977	7.6
109.02853	1.1
109.06534	1.5
110.03655	1.8
110.09630	0.5
111.04431	1.2
115.05464	3.5
117.03334	0.6
117.07012	2.4
118.04130	3.5
119.04948	1.0
121.05640	1.0
121.06510	17.0
122.03686	0.5
123.04418	3.6
123.08025	0.9
124.05205	2.0
125.06022	5.1
127.03938	0.7
129.07007	0.9
130.04147	1.1
131.04001	0.9
131.04935	12.1
131.05927	0.8
131.08612	0.6
132.05698	1.4
133.02921	1.3
133.06509	6.4
134.03627	2.2
135.04420	1.5
135.08014	1.5
137.05994	4.0
138.03154	0.8
138.06796	0.7
139.07549	1.9
141.89340	0.6
142.02582	0.8
143.04939	0.7
144.05653	1.0
145.02873	1.2
145.06488	3.5
146.03557	0.8
147.04387	0.8
147.08076	1.4
148.05177	8.9
149.05989	30.0
150.06458	1.0
151.03879	2.1
151.07523	2.0
152.04677	1.2
153.01810	1.5
153.05457	2.4
153.09129	7.1
155.05933	0.7
157.06503	1.3
159.04395	0.7
159.08055	0.8
160.05231	1.1
161.05972	7.3
162.07782	0.7
163.03925	2.1
163.07552	15.1
165.05495	1.2
167.07048	38.3
168.07329	1.1
171.06511	1.5
173.05962	4.2
174.06760	0.8
175.07552	2.9
176.04686	1.9
177.05476	18.3
177.07027	1.0
177.09036	0.7
178.05995	0.8
181.04965	45.3
181.08571	14.0
182.05305	1.2
187.07512	2.0
189.05438	0.9
190.06233	1.2
191.07033	57.8
192.07404	2.8
193.04987	1.9
193.08569	3.9
195.06580	3.1
201.05397	1.1
202.06201	0.6
203.06989	1.9
205.08647	2.6
207.06535	1.6
207.10106	1.0
209.08089	100.0
210.08408	4.0
217.08601	2.5
219.10173	3.0
225.07542	1.3
229.08667	0.6
233.08083	3.2
235.07568	0.8
235.09673	4.4
263.09171	14.1
264.09528	1.2
267.10172	2.3
279.06851	0.5
279.10184	0.7
281.08246	0.7
295.09689	1.3
297.11212	1.1
307.09540	0.8
325.10812	1.4
329.13889	1.0
335.09662	0.7
337.10886	0.8
339.12219	0.9
344.12656	0.8
357.13336	3.9
367.11719	1.1
369.13177	0.8
381.13480	0.6
383.14587	0.7
385.12793	6.8
387.14688	0.8
399.14337	2.1
417.15405	15.4
418.15753	1.4
507.19702	0.8
514.94067	0.6
593.97070	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	824.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.1
61.47960	1.0
61.53000	0.9
65.03934	1.8
67.05510	50.7
69.03428	5.3
69.07072	14.2
71.01354	3.5
71.05006	5.6
73.02916	2.3
77.03919	1.2
79.05499	46.1
81.03423	48.4
81.07059	34.2
82.03762	1.1
83.04984	18.1
83.08630	19.4
85.02909	20.2
85.06556	3.7
87.04495	1.2
91.03962	4.3
91.04895	1.4
91.05483	35.7
93.07047	51.2
94.07394	1.4
95.04976	24.9
95.08620	12.2
97.02896	6.6
97.06542	12.9
97.10172	13.2
99.04436	2.3
99.08115	1.9
103.05508	2.1
105.04538	2.4
105.07036	20.4
105.07683	1.9
107.04939	9.9
107.08603	30.5
108.08958	1.2
109.06534	5.8
109.10159	8.6
109.13210	1.0
111.04456	5.2
111.08083	8.4
113.06025	2.5
115.05444	1.5
117.07027	7.3
119.08595	19.5
121.06519	9.4
121.10153	14.8
123.08097	3.2
123.11719	1.4
125.09628	5.8
127.03915	2.0
129.07036	8.9
130.07790	1.6
131.08583	8.8
133.06476	3.3
133.10132	12.1
135.08075	2.8
135.11700	39.3
135.60680	1.0
136.06197	1.0
136.12070	1.7
137.09639	3.3
142.07787	1.8
143.08545	2.1
145.04948	2.4
145.10127	10.8
147.08067	2.9
147.11725	10.6
149.09642	7.9
153.12772	2.9
155.08565	1.7
157.10112	10.5
161.09647	2.9
163.06046	1.7
163.11156	10.0
165.12747	2.7
175.11191	11.7
181.12239	9.2
189.11203	3.4
191.10706	2.0
193.12254	26.4
194.12634	1.8
199.13213	1.4
209.11745	9.3
211.13316	30.3
227.12804	4.3
249.14833	1.6
255.15926	91.5
256.16333	5.2
267.15906	25.8
273.18640	5.4
283.15564	5.4
285.16983	21.4
286.17285	2.2
291.19604	7.7
301.16544	6.4
347.22119	2.4
365.23303	3.2
403.25366	1.2
421.25848	2.6
447.27411	44.0
448.27539	3.9
465.28525	100.0
466.28943	10.7
555.32739	1.9
573.34167	5.1
591.35370	5.7
609.35376	2.2
612.35651	2.0
776.62982	1.2
824.45618	1.7
825.39484	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	824.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	3.4
61.02923	3.3
65.03958	4.6
67.05507	83.8
68.05828	2.6
68.92976	2.0
69.03429	5.9
69.07075	23.8
69.50167	10.5
69.54433	1.9
71.04994	7.7
79.05067	3.9
79.05496	52.7
81.03420	87.9
81.07058	71.3
83.04990	12.2
83.08624	39.8
85.02923	7.8
85.06044	2.1
85.06541	5.2
87.04480	2.8
88.64806	1.9
91.05484	48.9
93.07041	53.3
95.04970	36.4
95.08599	33.5
97.02897	4.0
97.06524	11.0
97.10173	20.0
99.08081	2.6
105.07030	42.3
107.04929	15.4
107.08611	28.9
109.06522	9.9
109.10165	42.4
111.04428	2.2
111.08058	11.8
117.07047	13.6
119.08586	34.1
120.98532	2.0
121.06522	8.9
121.10136	21.5
122.19337	2.2
123.08074	5.9
123.11703	3.1
125.09666	18.4
125.38085	1.9
129.05429	2.3
129.06990	15.6
130.07726	2.5
131.08562	23.4
133.06488	4.9
133.10133	20.6
135.08069	7.6
135.11696	13.6
137.09584	7.0
139.11113	2.6
142.07848	2.9
143.08626	6.2
145.06445	3.7
145.10120	18.0
147.08049	8.4
147.11671	22.1
149.09627	12.6
149.13251	4.1
151.11183	3.6
153.09100	3.0
155.08488	4.3
155.10611	4.9
157.10121	17.7
159.08144	3.2
159.11713	6.9
161.09592	3.7
161.13275	3.1
163.11189	9.1
165.12804	3.5
169.10127	2.6
171.11691	4.8
173.09660	4.7
173.11783	11.2
173.13094	3.1
175.11186	10.5
177.12726	3.8
181.10182	3.0
181.12311	4.5
183.11728	2.9
185.13257	3.6
187.11140	2.5
189.11197	7.3
189.12778	3.7
193.12251	29.4
195.13742	3.4
197.13152	2.1
199.11217	2.3
201.12746	2.7
203.10567	2.4
211.13254	4.8
220.76486	3.3
227.12747	9.9
229.14349	41.3
229.16458	3.4
249.14836	3.4
255.15961	8.6
257.19061	4.7
262.80042	2.1
267.15927	100.0
268.16217	5.8
269.17496	9.5
273.18539	6.2
275.20148	20.9
283.15652	2.9
291.19443	12.6
293.21204	4.9
331.22659	2.3
347.22171	2.9
349.23880	16.4
359.38519	2.1
365.23260	3.8
367.24850	15.4
369.24255	4.6
383.46735	2.1
387.25244	2.9
403.24567	3.3
421.20471	4.3
421.25824	44.8
422.25793	2.7
443.27933	10.1
447.27509	14.7
461.29044	45.7
462.29453	7.2
465.28580	22.4
466.29004	2.8
467.31314	3.2
493.31604	25.2
494.31989	2.7
541.35236	49.7
542.35486	6.6
547.29742	2.9
559.36340	49.5
560.36584	6.3
591.35382	2.7
683.82990	2.7
824.37482	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	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.1
65.03938	6.9
67.05508	100.0
67.93333	1.8
68.05837	2.4
68.91433	2.1
69.03427	9.2
69.06725	3.0
69.07072	32.0
71.04993	7.1
73.02902	3.6
79.05498	84.8
81.03421	10.6
81.07059	97.4
83.02559	1.7
83.05000	11.4
83.08617	13.6
85.02896	7.4
85.06537	5.4
91.05484	67.7
93.07046	82.6
93.07637	4.2
94.07399	2.1
95.04985	15.0
95.08607	55.7
95.98717	1.8
97.02888	5.9
97.06520	12.5
97.10178	4.4
99.08096	3.1
105.04514	1.8
105.07033	39.9
107.04952	7.6
107.08596	40.4
109.06519	4.5
109.10165	21.4
111.04436	2.1
111.08077	4.0
115.05459	2.3
117.07010	18.5
119.04968	2.6
119.05972	2.0
119.08585	29.1
121.06512	5.7
121.10151	26.5
123.08054	4.5
123.11708	5.6
125.09634	2.4
127.03906	2.2
129.07036	5.4
131.08578	23.5
133.10141	20.2
134.52345	2.0
135.08063	6.3
135.11682	16.3
143.08517	4.4
145.10109	15.6
147.07928	1.8
147.11708	10.0
149.09595	7.4
149.13260	10.4
149.52824	1.9
155.08533	2.2
157.10123	4.1
159.11729	11.3
161.13240	4.0
163.11194	4.1
169.10103	2.7
171.11766	4.1
173.13301	4.8
175.14850	2.2
177.12727	3.4
183.11737	2.9
187.14772	2.4
195.13770	2.7
197.13217	2.4
243.21214	2.8
255.15944	5.0
257.19055	3.5
261.22116	5.8
269.17416	18.8
275.20062	13.9
293.21140	2.4
309.20480	3.2
335.25806	64.1
336.26138	4.0
349.23734	9.2
350.24194	2.4
367.24622	1.9
413.21472	2.3
457.47440	2.2
515.37366	8.5
529.38922	43.7
530.39056	4.3
569.42065	5.5
609.45081	12.1
627.46277	4.9
790.59943	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	3.3
65.03938	4.8
67.05508	62.2
68.05850	1.9
69.03439	3.1
69.07070	22.1
69.71043	8.3
71.05003	4.4
79.05498	57.2
81.03434	4.6
81.07060	59.8
83.04980	9.0
83.08620	22.6
85.02908	4.8
85.06554	2.4
86.09713	14.1
91.05486	34.2
93.07050	51.0
94.07366	2.1
95.04366	2.8
95.04975	48.1
95.05564	3.3
95.08611	46.6
97.06548	5.3
97.10174	7.3
98.23321	2.9
99.04446	2.4
105.07037	30.6
105.51267	1.6
107.04950	8.8
107.08593	37.5
107.09286	2.6
109.06541	6.4
109.10159	20.0
111.04467	5.9
111.08098	5.1
117.07013	11.5
119.08598	23.3
121.06523	4.1
121.10149	22.9
123.08079	2.3
123.11725	6.1
125.00011	11.3
125.09638	7.3
129.07008	3.4
131.08574	16.2
133.10112	15.9
135.08098	4.5
135.11678	11.9
137.09657	4.1
143.08563	3.2
145.10127	19.0
147.08080	3.2
147.11681	7.7
149.02638	1.5
149.09624	18.3
149.13301	4.3
151.11229	2.4
153.09189	1.9
155.08617	2.1
157.10039	2.4
159.11670	7.6
161.13232	3.9
163.11214	19.8
165.12833	2.1
166.26341	1.6
169.10138	3.0
173.13307	5.2
175.11201	2.0
177.12747	3.4
184.07346	36.9
187.11249	2.0
187.14798	2.3
189.11194	7.6
197.13257	2.5
205.12299	3.1
223.13303	26.9
223.15349	2.3
229.19534	1.6
239.17903	2.1
243.21017	2.4
257.19083	6.4
261.22156	5.8
275.20071	38.4
276.20297	2.1
293.21121	24.1
335.25790	100.0
336.26141	5.7
349.23712	11.5
367.24777	26.3
373.53250	1.6
416.85968	1.8
524.16315	1.9
609.45276	19.7
627.46234	76.4
628.46497	5.1
676.43866	2.1
825.51318	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96360	1.3
60.08189	1.3
61.02929	1.4
65.03944	3.0
67.05505	64.6
69.03432	3.3
69.07026	25.4
71.04993	4.6
72.70301	1.5
78.16287	1.7
79.05495	44.5
81.03429	6.3
81.07056	58.5
83.04990	8.8
83.08620	23.9
84.13014	1.4
85.02897	4.3
85.06540	2.1
86.09708	9.6
91.05477	39.3
91.06011	2.9
93.07041	52.2
94.07330	2.3
95.04969	54.8
95.08607	48.9
97.06547	6.7
97.10177	9.3
99.04466	3.3
99.08128	1.6
105.07030	30.6
107.04973	8.0
107.08588	35.6
109.06538	6.1
109.10156	21.7
111.04462	8.0
111.08099	4.8
117.07031	13.7
119.08576	23.5
121.06519	4.4
121.10144	24.3
123.08083	5.8
123.11721	4.7
125.00068	3.9
125.09637	11.0
129.07040	5.7
130.85808	1.4
131.08553	18.7
133.10135	20.4
135.08052	3.9
135.11707	12.3
137.09647	2.6
137.13310	1.5
139.11263	3.6
143.08537	2.6
145.06522	1.9
145.10123	22.3
147.08008	4.3
147.11670	12.6
149.09615	18.4
149.13297	5.3
151.11232	2.5
153.09064	1.9
155.08522	2.5
157.10161	4.8
159.11691	10.9
161.13229	7.0
163.11194	22.2
165.12779	3.9
169.10191	4.5
171.11719	4.7
173.13264	6.2
175.11191	2.2
175.14780	2.1
177.12737	3.2
183.11644	2.7
184.07332	18.5
185.13382	1.6
187.11142	2.5
187.14828	2.0
189.11160	7.8
197.13179	2.2
199.14746	1.7
205.12302	3.8
215.18079	1.6
219.17381	1.7
223.13272	33.6
224.13594	1.7
227.12898	1.9
229.19595	3.1
239.18001	7.2
243.21201	1.6
247.20473	2.0
257.18958	9.1
261.22171	6.1
269.17712	1.5
275.20059	54.4
276.20322	3.1
293.21088	37.0
294.21442	2.1
317.24792	1.9
335.25775	100.0
336.26074	6.6
349.23737	24.0
350.23965	2.9
367.24802	42.5
368.24930	2.5
489.36105	1.6
529.38617	2.5
609.45129	20.8
610.45471	2.8
627.46143	71.0
628.46686	9.5
824.52301	1.7
825.52606	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.5
65.03944	3.2
67.05508	61.6
68.05837	0.7
69.03432	3.5
69.07071	23.1
70.80724	1.9
71.05000	3.6
75.00485	0.8
77.40504	0.9
79.05498	49.6
80.05891	1.0
81.03432	2.4
81.07060	97.9
82.07396	1.5
83.04990	5.3
83.08621	14.2
85.02912	1.8
85.06553	3.5
86.09708	3.9
91.05487	33.6
92.05802	0.9
93.07049	43.0
95.04969	8.1
95.08610	47.7
96.08936	1.4
97.02892	0.9
97.06543	6.9
97.10174	2.4
99.08126	3.9
105.07036	32.2
107.04957	6.3
107.08604	26.3
108.08885	0.9
109.06526	20.7
109.10163	20.9
111.08073	4.6
113.06002	1.4
117.07021	9.8
118.64634	0.8
119.08588	27.3
120.08864	1.1
121.06499	3.9
121.10141	23.3
122.10518	1.3
123.08084	7.2
123.11725	9.3
125.00002	2.7
125.09648	1.8
129.07021	4.3
131.08574	14.0
133.06493	1.2
133.10138	18.7
134.10542	1.3
135.08061	5.4
135.11694	11.9
137.09642	3.0
137.13274	1.7
141.06961	1.1
143.08557	2.0
145.10121	12.9
147.08089	1.6
147.11690	16.0
149.09648	6.6
149.13272	8.3
151.11174	2.9
155.08598	1.3
157.10179	3.7
159.11679	9.6
161.13263	5.7
163.11172	5.4
163.14854	2.9
165.12740	4.7
169.10181	1.2
171.11710	2.4
173.09660	1.0
173.13214	5.7
175.11226	3.7
175.14856	2.5
177.12819	2.2
177.16284	1.2
179.14325	1.9
183.11740	1.8
184.07339	12.5
185.07715	1.8
185.13225	2.0
187.11226	1.4
187.14847	3.1
191.14343	1.5
193.12273	1.7
201.16486	1.4
205.15979	1.0
207.13895	1.2
213.16531	0.9
215.18123	1.0
229.19565	2.7
239.18060	2.5
243.21130	2.6
247.20567	4.5
252.96628	0.9
257.19006	5.5
261.22079	7.1
267.15930	2.7
275.20081	56.4
276.20432	4.2
277.21698	1.7
293.21112	20.1
294.21661	1.3
317.24692	2.5
335.25815	100.0
336.26065	6.3
349.19507	1.6
349.23740	27.3
350.24124	2.0
367.24808	45.0
368.25363	1.7
529.38995	1.2
535.41278	1.9
550.58350	1.0
553.42303	1.2
609.45105	47.6
610.45380	5.1
627.46191	52.6
628.46411	9.0
645.47040	1.1
824.51660	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.6
63.12819	2.2
65.03934	4.1
67.05507	64.0
69.03443	4.1
69.07075	22.4
69.09442	14.9
71.04981	3.6
79.05496	51.3
81.03424	2.9
81.06585	4.7
81.07056	74.3
83.04972	6.9
83.08631	19.1
85.02892	3.6
85.79829	2.3
86.09703	7.1
91.05481	38.2
93.07050	51.5
95.04983	13.5
95.08613	50.2
97.06537	8.0
97.10168	5.2
98.22628	3.4
103.05496	3.5
105.07038	40.1
105.83985	2.3
107.04967	10.7
107.08599	29.7
109.06519	7.0
109.10157	21.2
111.08096	3.5
117.07010	9.7
119.08588	31.9
119.53943	2.2
121.06497	5.6
121.10123	22.9
123.08084	6.3
123.11729	4.6
125.00020	4.9
125.09671	3.5
129.07007	4.5
131.08566	19.9
133.10152	25.5
135.08066	4.7
135.11708	14.7
137.09615	5.4
145.10123	20.6
147.11681	13.7
149.09665	15.8
149.13272	4.8
151.11182	4.2
154.98671	2.4
157.10147	2.6
157.40298	2.1
159.11668	12.8
161.13185	4.9
163.11209	16.7
163.14793	3.5
165.12740	3.3
169.10147	4.4
171.11665	5.0
173.09607	2.7
173.13266	4.4
175.11212	3.2
177.12740	3.8
184.07358	20.0
187.49757	2.1
197.13258	3.5
223.13347	4.1
229.19514	4.4
239.17944	5.1
247.20729	2.6
257.18976	10.9
261.22070	5.9
267.15817	2.9
275.20087	66.9
276.20432	5.0
293.21158	8.2
335.25815	100.0
336.26172	8.8
349.23761	39.5
350.24008	3.4
367.24811	33.7
382.67313	2.5
408.13104	2.7
493.55609	2.2
499.38034	2.4
609.45044	32.8
610.46204	5.2
627.46094	41.4
628.45789	6.2
821.76953	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.2
67.05508	62.2
69.03432	4.3
69.07076	22.3
71.04990	5.3
71.27499	3.6
71.27900	4.8
79.05494	57.9
81.03422	6.6
81.07056	56.9
83.04984	6.1
83.08642	10.8
85.02894	7.8
85.44344	3.6
86.09706	19.2
91.05479	57.1
92.05856	4.3
93.07049	50.0
95.04977	7.2
95.08608	38.3
97.02889	4.1
97.06541	6.2
97.10152	5.6
103.05483	4.5
105.07040	57.6
107.04978	7.0
107.08613	26.6
109.06547	3.9
109.10149	17.4
111.08154	4.5
111.28223	3.7
115.05427	4.1
115.46310	3.5
117.07010	22.8
117.40599	3.5
119.08581	42.0
121.10136	20.6
123.11700	3.8
125.00014	14.7
125.09668	4.4
129.07010	17.3
131.08554	27.5
133.10132	25.2
134.47687	3.8
135.11696	10.2
141.07043	8.3
143.08586	19.5
145.10141	25.7
147.11717	11.8
149.13379	5.8
155.08566	11.0
156.09300	3.7
157.10173	15.5
159.11674	21.4
161.13264	5.2
167.08487	4.2
169.10176	14.2
171.11699	13.3
175.14836	4.9
179.10907	4.4
181.10129	4.8
183.11743	8.4
184.07365	52.5
185.13289	8.4
194.42238	4.1
195.11760	7.2
197.13287	7.9
199.14873	9.8
207.11697	4.4
209.13257	5.0
211.14944	6.0
223.14993	4.7
225.16321	4.3
239.17941	5.9
243.08405	8.3
259.20499	4.5
275.20197	6.2
285.21921	3.8
323.23621	4.6
333.24042	5.7
335.25775	10.4
365.23297	5.1
367.24829	6.4
530.49414	4.6
533.26752	4.7
591.44196	6.3
609.45239	68.2
610.45154	5.5
824.48199	4.5
825.47644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.6
67.05508	6.1
68.05855	0.7
69.03424	3.6
69.07069	2.7
69.55482	3.0
71.04978	3.2
73.02911	3.1
74.70911	0.7
75.21451	0.6
75.68564	0.6
79.05500	6.0
80.90735	0.7
81.03420	4.8
81.07058	10.0
83.04992	1.6
83.08622	2.4
85.02904	4.4
85.06538	0.7
91.03968	2.6
91.05477	6.4
93.07032	3.4
94.83102	0.7
95.04971	3.6
95.08607	3.0
97.02891	5.1
97.06541	1.5
97.10187	0.9
99.04465	1.0
101.02403	2.0
105.07029	4.7
107.04940	0.9
107.08604	2.4
109.02894	1.0
109.06521	1.0
109.10172	1.8
111.04417	0.8
111.08104	1.0
117.07050	1.2
119.08569	4.1
121.06514	1.9
121.10142	2.2
123.11713	1.0
127.03943	1.7
129.07039	1.0
131.08542	1.6
133.10152	2.1
137.05992	0.7
143.08566	0.9
145.10123	1.7
147.11699	3.4
149.09598	1.0
157.10126	1.7
163.11253	0.8
165.12802	1.2
169.42268	0.6
175.11162	1.5
181.12250	2.5
184.07341	1.1
185.04120	0.8
193.12221	1.5
204.86179	0.7
229.14412	0.9
243.08408	4.0
265.14114	1.2
333.20316	3.2
335.17719	0.7
423.19672	0.8
439.19626	1.0
483.22031	1.8
497.19846	1.1
515.24695	8.7
516.24493	0.9
551.28394	5.0
644.78497	0.9
721.37122	2.9
749.40118	1.3
793.39966	2.3
807.40771	2.3
825.45569	100.0
826.45874	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	825.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05033	1.1
61.02934	3.3
61.90374	0.9
62.28063	0.9
67.05526	4.5
69.03438	3.3
69.07072	1.7
71.04993	2.8
71.29285	1.8
72.53104	0.9
73.02929	3.0
79.05510	3.9
81.03418	4.9
81.07067	4.9
85.02920	4.0
91.03954	1.2
91.05502	4.9
93.07050	3.6
95.05013	1.9
95.08631	1.7
97.02934	4.3
105.07074	3.2
107.08612	2.1
109.06544	1.2
119.08600	2.6
121.10215	1.7
129.07069	1.2
131.08580	2.2
147.11731	2.3
149.09642	2.4
175.11249	1.3
184.07414	3.3
193.12363	2.2
243.08539	2.3
267.16171	1.2
273.76392	1.0
283.15140	2.3
339.17880	1.1
340.69025	1.1
347.22025	3.8
359.41916	1.1
481.20251	2.1
501.23007	11.9
515.24481	1.3
565.29950	5.4
721.36310	4.3
741.36755	1.8
825.46033	100.0
826.46429	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77902	0.4
60.08168	0.6
61.02932	5.5
65.03950	0.5
67.05511	12.2
68.05845	0.8
69.03437	3.6
69.07080	5.6
69.89533	1.7
71.05003	0.9
73.02920	4.7
73.49334	0.4
77.03947	0.6
79.05502	8.8
80.05867	0.7
81.03435	1.9
81.07062	12.9
82.07389	1.0
83.04957	0.7
83.08623	2.9
85.02910	6.3
85.06597	0.6
86.09708	3.0
87.04485	0.6
88.38113	0.5
89.29249	0.5
91.03974	3.3
91.05488	8.0
92.05827	0.6
93.07048	9.9
94.07381	1.1
95.04986	1.3
95.08619	8.7
95.93093	0.4
97.02905	5.5
97.06547	1.9
97.10162	2.6
98.63757	0.4
99.04471	1.1
101.02400	1.8
105.07024	4.8
105.07547	0.4
106.07388	1.0
107.04977	1.2
107.08592	6.0
108.08928	1.0
109.02913	0.9
109.06550	0.9
109.10164	4.0
111.08079	0.6
117.07049	1.6
119.08604	5.3
121.06499	3.4
121.10138	3.3
122.06931	0.5
123.08118	0.7
123.11715	0.8
125.00020	1.2
125.09651	2.3
127.03955	1.6
129.07036	0.5
131.08571	2.7
133.10141	3.1
135.08066	1.1
135.11697	2.3
140.37355	0.4
143.08527	0.6
145.05060	0.5
145.10165	2.1
147.11734	1.5
149.09636	1.7
149.13304	0.6
157.10168	0.5
159.08127	0.8
159.11743	1.5
161.13297	1.0
163.11221	0.8
165.12788	0.7
173.13309	0.7
175.11172	0.5
184.07335	8.1
185.04320	0.5
185.13312	0.6
189.11270	0.8
219.17418	0.5
227.12814	1.3
243.08424	2.8
257.19104	1.2
261.22263	0.7
262.22501	0.6
275.20099	2.5
276.20529	2.0
294.21741	0.6
299.15900	0.5
301.08530	0.5
329.17261	13.7
330.17584	1.0
335.25775	7.0
335.29083	0.6
336.26297	4.8
349.23984	2.0
350.24274	2.0
403.38998	0.5
433.84543	0.7
487.32333	0.6
506.35852	0.8
519.29590	4.0
533.27374	1.5
547.25153	2.3
609.45068	2.8
610.45599	6.5
628.46313	1.0
662.44147	0.7
663.44092	2.3
825.47620	100.0
826.47931	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	825.476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75066	1.3
58.92805	1.0
61.02927	3.0
62.52972	1.0
67.05510	4.6
69.03432	1.8
69.07078	5.6
71.29663	1.5
73.02922	1.5
79.05494	2.5
81.03428	2.1
81.07060	5.6
83.04990	1.3
85.02930	3.5
86.09723	3.5
91.03954	1.1
91.05508	3.5
93.07065	3.4
95.08630	4.0
97.02899	1.7
97.06544	1.6
97.72311	1.3
101.02386	1.2
105.07037	5.9
107.04962	2.5
107.08620	1.7
109.10166	1.9
119.08609	2.8
123.08060	1.2
125.00021	2.4
127.03964	1.5
131.08594	2.1
133.10170	3.8
147.11725	1.3
149.09680	1.9
159.11710	1.6
163.08199	1.0
179.14386	1.3
184.07387	9.4
193.37581	1.3
219.47681	1.0
229.14413	1.5
243.08452	2.9
275.20102	1.2
290.83627	1.1
313.27396	1.9
315.19467	4.3
324.82892	1.3
371.22000	2.1
467.37985	1.6
533.27289	16.4
534.27417	1.7
715.02527	1.3
825.47546	100.0
826.47827	17.1
839.56952	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	825.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	2.7
61.02939	1.8
65.56180	0.8
67.05513	4.0
69.03453	1.7
69.07076	2.0
69.69597	2.8
71.07387	1.6
73.02936	1.2
73.77785	0.8
76.51786	0.9
79.05499	5.2
79.05901	0.8
81.03436	1.1
81.07063	7.2
83.08629	1.4
85.02917	2.7
86.09712	12.1
86.63911	0.7
87.84861	0.7
91.03983	1.1
91.05489	4.3
93.07059	3.7
94.97659	0.7
95.04996	1.0
95.08619	3.4
97.02905	0.8
98.23273	1.1
98.98460	1.0
100.04861	0.8
104.10755	0.9
105.07041	13.2
105.07659	0.9
107.04976	1.0
107.08629	2.2
109.06534	1.8
109.10189	2.3
117.07050	1.0
119.08646	2.0
121.10207	1.7
125.00013	7.9
131.08624	2.0
133.10167	1.8
135.11736	1.2
147.11797	1.5
149.09671	1.3
184.07362	31.0
185.04358	1.1
185.07791	1.0
243.08406	8.9
275.20233	1.2
292.19772	0.8
312.19626	3.7
315.19339	1.8
335.25906	0.9
383.17004	1.1
386.23563	1.0
391.01651	0.8
404.24429	2.6
531.25507	1.0
533.27216	5.4
628.44299	1.1
646.44641	1.1
664.45483	5.6
787.05249	0.8
796.90839	0.9
825.47595	100.0
826.48053	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	825.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.5
67.05512	6.1
69.05801	7.3
69.07073	2.8
73.02946	1.7
79.05511	6.5
81.07068	9.7
83.01101	1.3
83.08617	2.1
85.02919	2.0
86.09737	2.9
90.22640	0.9
91.05501	4.3
93.07037	5.9
95.05022	1.9
95.08628	4.1
98.22700	1.9
105.07067	4.2
107.08624	3.3
109.06519	1.6
117.07048	2.5
119.08619	3.4
121.10204	1.8
125.00014	2.9
131.08609	2.3
132.23286	1.0
133.10191	2.4
135.11713	2.0
145.10120	1.8
147.11658	1.8
179.14349	1.3
184.07339	10.0
242.05786	1.1
243.08476	3.0
275.20218	1.6
313.08868	1.6
315.19397	2.1
315.31781	1.2
335.26071	3.1
336.26212	2.3
423.19968	1.7
533.27234	6.2
607.39795	3.0
610.45343	2.7
647.34283	3.0
663.42999	2.5
749.44519	1.2
825.47552	100.0
826.47894	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	825.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02711	0.4
61.02934	5.0
65.03935	1.2
67.05506	16.0
68.05849	1.2
69.03442	4.3
69.07068	6.8
70.07420	0.5
71.04995	0.6
73.02916	3.0
79.05495	14.1
80.05833	1.6
81.03426	2.1
81.07061	14.5
82.07381	1.5
83.04993	1.7
83.08620	4.1
84.08911	0.7
85.02914	5.1
86.09730	1.1
87.04484	0.8
91.03961	2.0
91.05485	9.8
92.05849	0.9
93.07048	11.7
94.07380	1.6
95.04993	1.2
95.08614	9.6
96.08957	1.3
97.02914	3.6
97.06544	2.1
97.10169	6.5
99.04429	0.9
101.02396	1.8
102.28721	0.5
105.07023	7.5
106.07330	0.7
107.04996	1.6
107.08589	12.0
108.08959	2.0
109.06542	1.4
109.10164	3.9
111.08119	1.1
115.05495	0.6
117.07004	3.5
119.08585	7.7
120.08919	0.7
121.06528	1.5
121.10187	3.6
122.10513	0.6
123.08091	0.5
123.11725	2.2
125.09624	6.1
127.03923	1.1
131.08569	3.3
133.10133	4.2
135.08034	1.3
135.11716	2.1
138.99110	0.5
143.08606	0.7
145.10143	4.0
147.11760	1.6
149.09663	1.3
149.13324	1.4
157.10126	0.9
159.08052	1.0
159.11734	1.8
161.13284	1.0
163.11220	0.9
173.13297	1.7
184.07373	3.4
185.04259	0.9
187.14772	0.7
189.11267	2.0
198.32611	0.6
227.12775	5.1
228.13168	1.6
232.99228	0.6
243.08438	3.2
257.19034	0.7
261.22256	1.6
262.22595	0.7
275.20004	5.5
276.20444	3.2
286.25806	0.6
293.21188	0.7
299.16153	1.2
329.17200	8.3
329.20325	0.7
330.17664	0.7
335.25806	6.3
336.26224	5.0
349.23761	5.7
350.23975	3.9
385.19672	0.9
506.36069	1.0
519.29614	2.9
541.22913	0.7
547.25171	5.3
591.31879	0.6
609.44922	2.9
610.45410	10.4
628.46326	1.7
825.47498	100.0
826.47797	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72235	0.4
61.45945	0.4
65.03922	0.7
67.01852	0.7
71.01347	0.7
71.05006	0.5
71.28118	0.4
79.01856	7.2
81.03420	12.5
83.01344	0.5
83.04955	0.5
85.02874	1.3
92.99747	0.5
93.03401	0.7
95.00768	0.6
95.01333	8.5
97.02887	2.9
99.00800	1.6
99.04424	0.6
107.01311	3.8
109.02885	12.8
111.00800	0.9
113.02358	0.8
119.50720	0.4
121.02854	1.5
123.00824	1.0
125.02360	4.7
127.03922	12.1
129.01912	0.5
133.02840	0.8
137.02353	2.8
139.03862	1.8
141.01860	2.9
143.03400	8.9
144.03745	0.5
147.04404	1.3
149.02328	1.1
151.00302	0.7
153.01836	100.0
153.02928	7.0
154.02193	2.2
156.30780	0.4
163.03873	1.8
165.01831	7.8
167.03410	12.1
169.01344	0.7
171.02916	0.4
175.00307	0.7
175.03882	0.8
177.01854	2.5
179.03462	0.6
181.01347	0.7
183.02879	3.0
185.02412	0.4
185.04350	0.4
189.01868	0.9
191.03403	4.0
193.01344	12.7
194.01825	0.7
195.02892	2.6
197.00835	0.5
201.01845	0.8
203.03435	1.0
207.02878	2.3
211.02386	1.1
217.01309	1.5
219.02881	5.2
220.03311	0.5
220.09715	0.5
221.00821	56.9
222.01173	2.5
225.81255	0.5
229.01343	0.9
229.03421	0.5
231.02832	2.0
233.00858	0.4
233.04422	0.9
235.02341	3.1
239.01872	19.4
240.02121	0.5
243.02979	0.5
245.00702	2.5
247.02391	6.9
248.02847	0.6
255.02914	0.5
257.00873	1.2
259.02414	2.0
261.03845	0.6
263.01944	4.3
269.04654	0.4
273.00345	2.2
273.03430	0.4
275.01904	4.6
276.02390	0.6
277.03442	1.0
285.00598	0.6
285.04169	0.5
287.01941	0.7
291.01367	0.9
293.03003	1.2
300.99640	0.5
302.00363	0.6
303.01413	4.7
309.02417	1.6
313.03439	0.5
319.00821	1.1
321.02417	0.7
331.00986	0.5
339.03363	1.3
341.03055	0.7
347.04004	2.0
365.05231	0.4
375.75360	0.4
419.06049	0.5
431.02707	0.5
435.05692	0.5
447.05551	0.7
449.03452	1.8
477.03027	2.9
495.04086	10.8
517.06207	1.2
535.06885	1.0
575.06891	0.5
587.08502	0.4
593.07751	0.5
603.05963	1.0
621.07233	54.1
622.07562	5.0
639.08405	1.6
694.37793	0.5
709.79456	0.4
755.06122	0.5
791.09436	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	826.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54243	0.3
63.02382	0.6
65.03949	0.8
69.03431	5.7
71.04187	0.6
71.04980	0.5
74.71466	0.3
79.01847	1.9
81.03420	22.7
82.03764	0.3
83.01353	0.8
83.04994	0.5
84.04489	0.6
85.02928	1.7
92.99777	0.7
93.03401	0.7
95.01324	3.0
97.02898	2.6
99.04446	1.7
101.02399	0.5
102.94254	0.3
107.01291	0.5
108.02094	0.3
109.02884	12.8
111.00768	0.5
111.04425	0.6
113.02358	1.0
117.93635	0.3
119.01324	1.8
121.02873	1.9
123.00795	2.6
125.02330	1.0
126.05479	0.5
127.03911	3.9
137.02341	1.0
139.03935	0.7
141.01816	1.7
147.00803	1.2
147.04460	0.4
149.02336	2.4
151.00301	1.6
153.01845	3.7
154.99695	0.6
155.03326	0.4
163.03909	0.5
165.01845	7.2
166.99698	0.5
167.03419	3.2
169.01338	0.9
171.02896	0.4
177.01881	1.0
178.99768	0.5
181.01357	0.5
182.99258	0.9
183.02945	0.3
189.01833	0.3
191.03444	0.8
193.01335	34.9
194.01643	1.2
195.02859	1.0
201.01791	0.6
202.99820	0.7
203.03407	0.9
205.01341	1.1
211.02357	1.9
215.03348	0.3
217.01308	1.0
219.02914	1.6
221.00821	100.0
222.01129	3.2
222.72444	0.4
229.01308	0.5
231.02840	2.4
239.01854	3.5
243.02988	0.5
245.00793	1.1
247.02397	9.3
257.00681	0.6
257.02896	3.2
259.02393	1.9
263.01883	1.1
267.01340	0.4
271.02365	0.6
273.00284	1.0
273.03873	0.6
275.01859	5.5
276.02289	0.4
283.02408	0.4
285.00439	0.4
287.01758	0.4
291.01306	0.5
299.01926	0.5
301.00018	0.4
301.03394	1.1
302.00537	0.5
303.01361	6.6
303.04669	0.6
313.03128	0.4
317.02805	0.4
317.61060	0.4
319.00885	0.6
347.04123	1.1
355.06650	0.5
365.05112	4.3
383.06122	2.5
403.03357	0.4
419.06030	3.4
429.04492	0.7
431.02548	1.2
447.05609	2.1
449.03644	1.2
459.01788	2.3
467.04608	0.5
477.03033	5.0
495.03937	1.3
513.05042	0.7
575.06079	0.5
578.08649	0.4
585.05328	0.5
593.07806	0.4
603.06085	5.5
621.07159	10.5
622.07214	0.8
638.09790	0.6
639.08289	15.4
640.08069	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	826.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.7
69.03432	1.4
71.01350	0.5
71.28915	0.4
71.29307	0.6
77.19975	0.4
79.01858	8.0
81.03421	10.0
83.01336	1.0
85.02872	0.7
87.00837	0.4
92.99765	0.7
95.01324	4.5
97.02896	2.8
99.00818	0.8
99.04450	1.1
107.01324	2.3
109.02882	11.9
109.37115	0.4
111.00817	0.8
113.02384	1.2
119.01289	0.6
121.02872	1.0
123.00815	1.0
125.02361	5.1
127.03918	14.8
137.02310	1.2
139.00221	0.4
139.03909	0.6
141.01836	1.6
143.03395	9.5
149.02325	1.1
151.00276	1.0
153.01834	100.0
153.02927	7.3
154.02165	2.5
163.03850	0.8
165.01851	5.1
166.99780	0.6
167.03406	5.4
169.01366	0.5
177.01837	0.9
179.03363	0.5
181.01323	0.8
182.99277	0.6
183.02945	1.2
189.01822	0.5
191.03429	2.1
191.04994	0.6
193.01320	9.6
194.01791	0.5
195.02916	1.2
201.01895	0.9
202.99738	0.8
203.03429	1.2
205.01245	0.5
207.02893	0.5
211.02345	1.6
213.05513	0.6
217.01308	0.9
218.01994	0.6
219.02882	2.5
220.03403	0.5
221.00813	54.7
222.01175	1.8
229.01404	1.0
231.02921	3.2
239.01828	6.1
240.01947	0.6
245.00818	1.3
246.01790	0.6
247.02397	6.2
253.04974	0.4
255.02924	0.8
257.00781	2.8
257.04324	0.5
259.02405	3.2
263.01855	1.6
271.02380	0.9
273.00275	2.0
273.03900	0.7
274.01035	0.6
275.01886	4.7
276.02432	1.0
285.00360	0.9
285.03772	0.6
287.01865	1.2
293.03098	0.6
297.00644	0.6
297.03772	0.8
300.99893	0.7
302.00500	1.7
303.01404	10.0
303.04608	0.4
315.01309	0.5
317.02817	0.5
319.00967	0.6
325.03442	0.7
329.02820	0.5
331.00824	0.5
347.03876	1.7
365.04971	0.7
369.02167	0.7
383.05905	0.6
429.04556	1.4
431.02655	1.4
449.03619	1.2
459.02014	3.6
477.03055	10.2
478.03192	0.6
495.03903	3.1
517.05914	1.2
529.05981	0.6
535.07056	1.7
557.06067	0.5
575.06183	0.5
599.05597	0.4
603.06189	5.7
604.06592	0.8
606.78809	0.4
621.07220	51.7
622.07678	5.5
791.09760	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	826.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77446	0.7
61.02935	6.4
65.03954	1.4
67.05507	11.2
69.03427	3.4
69.07064	2.4
69.60555	2.7
71.04967	1.9
73.02912	2.8
75.18426	0.9
79.05489	12.3
80.05016	1.2
81.03420	22.4
81.07050	10.2
81.08147	0.7
82.06574	0.9
83.04987	5.4
83.08633	6.2
85.02924	4.9
85.06542	1.3
91.03947	1.5
91.05480	23.3
92.05826	0.9
93.07043	17.9
95.04972	25.3
95.08637	4.4
97.02888	4.5
97.06518	3.3
97.10176	1.0
98.23295	1.3
99.04464	0.7
103.05474	8.5
105.04524	0.7
105.07034	13.6
107.04955	10.2
107.08571	5.4
109.06524	5.9
109.10152	1.8
111.04456	2.7
111.08080	2.4
113.99826	0.6
115.05428	1.1
117.07015	2.5
119.08602	6.4
121.06508	100.0
121.10134	4.0
122.06863	2.4
123.08088	1.0
125.05109	0.7
127.03947	0.8
129.07007	8.0
131.08566	7.4
133.06546	3.5
133.10104	9.4
135.08060	5.3
135.11626	1.3
136.06194	11.1
136.07529	2.0
137.09604	0.8
138.09132	8.4
142.07796	1.3
143.08519	1.2
145.10152	0.8
147.08052	1.6
147.11679	5.7
149.09599	6.8
149.13200	0.9
151.11191	7.7
157.10147	5.1
165.12747	2.1
173.09718	0.8
175.11183	8.3
177.05479	1.5
189.11345	0.8
192.13834	2.2
193.12241	10.2
199.11153	0.8
205.12323	0.8
210.14880	2.9
211.13280	1.5
221.00974	0.8
267.15912	15.8
267.18744	0.8
300.14417	0.9
330.20319	2.2
348.21722	0.8
367.22882	1.8
385.23642	3.9
404.24185	2.3
415.22058	0.9
422.25330	1.2
429.20987	1.1
459.27478	3.8
476.67267	0.7
477.28476	2.0
494.30917	0.9
596.35553	1.9
614.36780	76.3
615.37091	9.3
646.38782	1.9
664.39227	1.1
776.42078	55.3
777.42426	7.5
808.44043	3.4
826.43945	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	826.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.9
61.02922	9.7
67.05509	54.8
69.07079	5.5
69.68375	9.7
71.04984	3.4
71.08645	13.7
73.02908	4.7
77.87535	1.8
79.05503	2.7
81.07077	13.7
82.32910	2.0
83.08629	8.1
85.02911	10.9
85.06558	1.9
85.10204	8.5
86.09724	9.6
91.03966	9.0
91.05492	5.1
91.99679	1.7
93.07051	3.0
95.08618	12.2
97.02909	5.2
97.10201	3.7
99.89685	1.9
107.08716	2.1
109.10160	58.1
111.08133	2.3
119.08592	4.1
123.11724	3.8
125.00020	7.6
127.03941	3.2
128.55524	1.8
137.09630	2.4
145.05002	4.1
155.10716	3.5
163.06036	3.6
173.11739	14.5
184.07347	32.2
203.93280	1.8
214.42192	1.8
229.14359	100.0
230.14806	4.1
238.24255	1.9
295.02094	2.0
313.27377	72.3
314.27701	5.4
327.20840	1.9
352.01474	2.1
467.37384	62.2
468.37460	7.8
693.23230	2.0
826.47797	4.9
827.49615	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	826.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	6.9
67.05512	53.6
69.07062	22.9
69.30402	3.8
70.50866	10.1
70.51200	7.6
71.05003	6.8
73.02930	7.2
79.05499	29.5
81.03419	7.3
81.07063	58.6
81.12404	4.4
83.04991	8.1
83.08627	20.7
85.02912	7.2
86.09704	6.4
91.05498	26.3
91.74548	3.7
93.07057	35.7
95.04983	27.5
95.08595	33.7
97.02916	6.2
97.06522	6.2
97.10184	9.2
105.07047	27.1
107.08615	23.9
109.10168	19.1
111.08116	4.4
117.07045	6.5
119.08589	23.2
121.10157	12.6
123.11665	7.9
124.99978	6.1
125.09694	4.7
131.08611	7.6
133.10091	10.7
135.11723	9.3
145.10121	8.8
147.11650	10.3
149.09624	6.1
149.13274	6.4
151.12900	5.3
159.11739	8.7
161.13333	8.3
163.11208	15.5
184.07396	24.5
223.13368	13.5
229.14299	6.1
257.19101	6.7
275.19962	24.0
293.21179	17.7
335.25821	11.0
336.25897	6.3
337.27408	48.8
338.27621	5.3
347.69400	4.8
349.23816	18.8
367.24817	14.1
408.62317	4.3
519.29321	6.8
532.40546	5.2
611.46588	16.6
629.47717	38.3
827.34399	6.1
827.49188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	69.3
69.07075	26.7
71.30864	8.0
73.02923	5.0
79.05508	37.7
80.35157	5.1
81.03415	7.2
81.07058	60.5
83.04985	12.2
83.08643	16.6
86.09715	15.6
91.05480	30.0
93.07042	36.6
95.04990	25.5
95.08616	44.8
97.06507	8.5
97.10172	7.8
105.07041	28.6
107.08593	20.3
109.06583	6.0
109.10165	20.4
111.04449	6.9
113.38441	5.3
117.07066	6.4
119.08600	18.4
121.10178	19.7
123.08057	8.7
125.00035	6.7
131.08586	14.7
132.18242	4.6
133.10144	16.2
135.11708	10.3
140.97163	4.8
145.10129	9.3
147.11703	11.0
149.09662	10.8
149.13281	10.6
157.10188	5.4
159.11646	9.4
163.11292	6.9
178.87125	5.5
184.07372	49.2
223.13304	6.3
229.14365	7.0
257.18753	6.2
269.17462	6.4
275.20230	30.4
276.20380	8.3
277.21732	6.1
293.21121	11.2
335.25781	21.2
336.26324	6.6
337.27249	42.1
349.23651	14.7
367.24847	10.8
489.35468	6.9
529.38690	12.5
611.46161	12.2
629.47540	24.3
682.11188	5.8
697.44067	5.3
786.15295	6.4
827.49225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.3
65.03937	4.9
67.05183	6.1
67.05512	82.0
69.03426	7.3
69.07076	32.8
69.32163	32.3
73.02911	5.3
79.05493	56.7
81.03419	9.4
81.07067	100.0
82.07407	6.4
83.04990	5.5
83.08620	21.1
85.02927	5.9
86.09711	14.2
91.05483	48.2
93.07052	49.3
95.04993	9.7
95.08617	55.9
97.06543	14.7
97.10143	4.4
105.07037	34.2
107.08591	33.8
109.06522	7.8
109.10149	17.5
111.08096	7.7
117.07034	10.8
119.08586	20.2
121.10126	24.3
123.11720	6.5
131.08574	13.7
131.46800	4.5
133.10139	26.1
135.11667	15.1
143.08575	6.0
145.10117	11.9
147.11667	13.1
149.09662	8.2
149.13283	10.1
159.11662	8.3
163.11040	7.2
172.41269	4.4
184.07339	38.8
191.14273	4.3
195.13924	6.3
229.14415	7.3
239.17894	6.7
255.16011	9.5
257.18912	7.7
269.17459	23.2
275.20157	20.3
286.23096	4.7
335.26102	5.3
336.26135	6.4
337.27353	75.7
338.27682	5.5
349.23859	21.9
517.38861	13.9
519.28601	5.8
531.40552	52.4
611.46289	14.7
629.47223	9.3
676.41412	5.1
826.48535	8.1
827.48950	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	0.9
61.02919	1.4
65.03928	2.5
67.05508	57.5
69.03428	2.3
69.07072	28.4
71.04984	3.0
73.83576	0.8
79.05497	33.8
81.03413	2.5
81.07059	100.0
82.07386	2.3
83.04979	4.6
83.08617	14.7
85.02904	1.1
85.06551	2.6
85.10175	1.3
86.09714	6.7
90.13541	0.9
91.05482	25.6
93.07047	30.6
93.88305	1.0
95.04979	6.4
95.08611	39.2
96.08926	1.2
97.02905	1.5
97.06524	7.1
97.10159	4.1
99.04458	0.9
99.08097	2.2
105.04542	1.1
105.07030	24.3
107.04954	6.2
107.08593	17.0
109.06528	14.0
109.10144	14.2
111.08085	3.5
113.09653	1.5
117.06993	4.9
119.08577	19.5
120.08910	1.1
121.06508	3.4
121.10137	12.6
123.08108	4.6
123.11698	9.2
124.99980	3.5
125.09576	1.2
129.06995	2.1
131.08574	7.8
133.06493	1.2
133.10135	12.3
135.08023	1.8
135.11710	4.7
137.09613	3.3
137.13237	2.3
141.07021	1.2
143.08542	2.1
145.10149	8.3
147.08076	1.2
147.11696	11.7
149.09641	4.8
149.13258	4.9
151.11162	2.1
155.08548	1.4
157.10100	3.0
159.11699	3.7
161.13290	4.0
163.11197	4.1
163.14813	2.4
165.12781	4.1
169.10115	1.1
170.26833	0.9
171.11743	1.1
173.13263	3.1
175.11130	2.4
175.14832	2.7
177.12790	1.3
179.14230	1.6
183.11655	1.4
184.07335	17.4
189.16446	1.2
191.14488	1.5
191.26021	1.2
210.82126	1.0
219.13828	1.2
229.19481	1.2
245.22781	1.0
247.20543	2.6
257.18988	3.5
263.23657	2.1
267.15918	2.3
275.20068	33.8
276.20450	2.0
293.21118	10.0
335.25946	1.5
337.27362	60.6
338.27643	5.2
349.23709	18.7
350.24182	1.4
367.24808	28.4
368.25159	2.2
439.22583	1.1
611.46716	34.2
612.46759	3.9
629.47766	37.1
630.47711	3.8
827.47308	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	827.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.7
65.03937	2.5
71.30444	0.2
77.03902	0.2
78.04711	0.3
79.05497	0.3
81.03426	0.8
89.03918	7.8
89.42227	0.2
90.04268	0.3
91.05482	18.9
92.05835	0.5
93.07065	0.4
102.04704	0.4
103.05470	1.0
105.03381	0.6
105.07037	0.7
106.04189	0.4
107.04948	0.3
109.02884	2.0
109.06554	0.3
115.05463	0.3
117.03381	19.2
118.03688	0.4
119.04946	35.0
120.05276	0.6
121.06525	0.8
122.03661	0.3
123.04533	0.3
124.05261	0.7
130.04167	0.4
131.04909	0.6
133.02846	1.7
133.06477	0.5
134.03668	1.4
135.04413	1.4
137.05975	4.6
145.02847	45.4
146.03160	1.3
147.04410	100.0
148.04744	2.8
149.05983	7.6
150.06709	0.3
151.07532	2.0
158.06120	0.3
161.05991	2.2
162.03204	0.4
162.06744	2.6
163.03888	0.6
165.05524	0.3
173.05975	0.3
175.03896	2.3
175.07515	0.3
177.05470	61.3
178.05846	1.9
179.07008	4.9
179.08466	0.4
180.07758	0.9
186.05540	0.9
189.05424	0.4
191.07133	0.4
193.05006	0.3
201.05455	3.9
213.05411	0.5
219.06473	1.1
229.08563	0.5
231.06526	0.9
233.05965	0.2
234.06778	0.3
235.07602	0.3
262.06107	0.4
264.07709	0.2
265.08609	0.3
273.07547	0.7
277.08597	0.3
293.08081	0.7
295.09546	0.3
305.08142	1.6
307.09564	0.4
323.09079	3.8
325.07053	0.5
325.10657	3.4
326.11072	0.3
337.10773	2.4
338.11011	0.3
343.11545	0.4
355.11816	2.7
373.12924	1.1
415.07773	0.3
452.33240	0.3
827.24677	0.3
827.39935	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	827.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	0.5
65.03938	2.4
69.02800	0.1
69.20847	1.0
78.04727	0.4
81.03431	0.7
81.12651	0.1
89.03921	4.5
89.04471	0.2
91.05484	16.2
92.05817	0.2
93.07047	0.3
95.04992	0.2
103.05482	0.5
105.03407	0.3
105.07011	0.3
106.04186	0.4
109.02888	2.2
109.06557	0.3
111.04446	0.3
114.70901	0.1
115.05463	0.2
117.03381	11.2
118.03732	0.2
119.04947	31.8
120.05275	0.9
121.06512	0.5
124.05228	0.2
127.03912	0.4
130.04109	0.2
131.04929	0.3
133.02847	0.4
133.06474	0.4
134.03645	0.8
135.04445	1.0
137.05986	2.6
145.02855	23.6
146.03247	0.7
147.04413	100.0
148.04741	2.8
149.05981	4.0
150.06740	0.4
151.07526	1.2
157.06502	0.2
161.06013	1.6
162.03220	0.1
162.06755	1.4
163.03915	0.3
163.07503	0.2
165.05495	0.2
173.06009	0.2
175.03900	1.1
175.07607	0.2
177.05475	37.7
178.05792	1.1
179.07027	3.1
179.08485	0.3
180.07867	0.3
186.05508	0.6
189.05391	0.2
192.85567	0.2
201.05458	2.1
205.06636	0.2
213.05540	0.3
219.06514	0.4
229.08601	0.2
231.06584	0.4
233.05887	0.2
233.08058	0.2
245.02060	0.2
255.06563	0.2
262.06326	0.2
265.08591	0.3
273.07620	0.9
277.08466	0.3
293.07999	0.4
297.11374	0.2
303.08676	0.2
305.08136	0.8
321.07681	0.3
323.09192	1.1
324.09964	0.3
325.10648	1.3
337.10629	1.4
341.10239	0.6
342.10928	0.4
346.74527	0.2
354.10855	0.5
355.11694	1.5
373.12759	0.5
419.11230	0.3
449.12204	1.4
481.14896	0.3
728.35071	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	827.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	7.0
62.64621	0.9
66.91328	1.1
67.05500	6.3
69.03429	4.7
69.07082	1.8
69.16355	1.1
73.02924	5.0
79.05506	3.5
81.03440	2.7
81.07076	6.8
83.08620	1.4
85.02911	7.4
86.09685	1.1
91.03965	2.9
91.05475	3.0
93.07064	5.1
95.08614	2.4
97.02876	5.0
101.02415	2.3
107.08606	1.8
119.08676	1.2
121.10134	1.8
127.03942	1.3
131.08524	1.0
149.13280	3.4
243.08504	3.6
286.18213	1.2
339.00122	1.1
347.09506	3.3
405.13730	4.0
453.20932	15.9
454.21637	1.4
615.26160	10.7
616.27264	1.4
665.35205	3.6
723.39368	1.2
827.40625	100.0
828.40875	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	827.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	7.0
62.64621	0.9
66.91328	1.1
67.05500	6.3
69.03429	4.7
69.07082	1.8
69.16355	1.1
73.02924	5.0
79.05506	3.5
81.03440	2.7
81.07076	6.8
83.08620	1.4
85.02911	7.4
86.09685	1.1
91.03965	2.9
91.05475	3.0
93.07064	5.1
95.08614	2.4
97.02876	5.0
101.02415	2.3
107.08606	1.8
119.08676	1.2
121.10134	1.8
127.03942	1.3
131.08524	1.0
149.13280	3.4
243.08504	3.6
286.18213	1.2
339.00122	1.1
347.09506	3.3
405.13730	4.0
453.20932	15.9
454.21637	1.4
615.26160	10.7
616.27264	1.4
665.35205	3.6
723.39368	1.2
827.40625	100.0
828.40875	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	827.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41293	2.0
67.05519	2.6
69.45681	6.9
69.46085	4.0
121.96944	2.0
178.56569	1.8
207.57599	1.9
267.09164	3.3
285.10260	2.9
314.07843	2.2
413.17795	5.0
424.31110	2.2
501.23203	4.4
641.54047	2.1
723.39258	22.7
724.40704	2.7
741.36273	4.4
827.42065	100.0
828.42487	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83736	1.6
60.91568	1.7
61.35231	1.6
70.77770	2.6
70.78115	2.6
74.12481	2.0
80.83558	2.1
84.31039	1.6
106.02806	1.7
166.27188	1.9
209.55717	1.8
349.16727	2.9
373.46307	1.9
510.16476	1.9
609.98846	2.1
827.41895	100.0
828.42047	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	827.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	0.9
61.02932	3.4
67.05509	3.3
68.43295	0.3
69.03432	2.3
69.07077	2.0
71.04999	1.3
73.02926	3.0
79.05498	3.7
81.03422	3.7
81.07056	3.8
83.05003	0.9
83.08632	1.2
85.02918	3.6
87.04504	0.4
91.03959	2.2
91.05489	3.6
93.07044	2.8
95.04974	1.7
95.08646	1.5
97.02898	4.3
97.06583	0.7
97.10184	0.8
99.04492	1.0
101.02400	1.4
103.03986	0.5
105.07034	2.8
105.65643	0.4
106.06043	0.4
107.04967	0.8
107.08627	1.6
109.02838	0.6
109.06493	0.5
109.10148	0.6
111.04466	0.5
111.08122	0.6
117.07061	0.5
119.04985	0.5
119.08611	1.5
121.06531	0.7
121.10141	2.1
123.08092	1.1
125.09674	0.8
127.03929	0.8
129.05502	0.6
129.07050	0.6
131.08647	1.2
133.10167	1.2
135.08159	0.4
135.11664	0.4
137.09659	0.4
145.02837	0.6
145.10136	0.5
147.04449	1.5
147.08034	0.5
147.11736	1.2
149.09633	1.9
157.10193	0.9
163.11276	0.6
175.11224	0.7
177.05475	0.9
185.04308	0.5
193.12338	1.6
203.05386	0.7
225.14941	0.7
243.08446	4.2
267.15982	0.8
283.15228	2.7
291.19864	0.4
301.09018	1.1
313.08932	0.5
339.17947	1.2
349.19882	2.4
383.17020	0.5
405.22510	0.8
441.21368	0.7
451.19705	0.6
469.20435	0.4
501.23120	12.6
502.23514	0.7
567.27740	5.3
568.28210	0.7
573.25299	1.2
587.27142	0.4
614.49445	0.4
643.33502	0.7
827.43945	100.0
828.44269	14.5
850.18280	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	827.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69466	2.1
67.05511	6.0
72.32624	2.5
79.05525	2.8
81.07051	5.0
82.37330	2.3
86.09707	5.9
93.07037	2.9
95.08606	3.5
105.07088	3.3
125.00018	4.9
148.61452	2.3
184.07344	21.6
185.07700	3.1
199.91385	2.1
315.49167	3.0
505.72675	2.8
827.47107	100.0
828.47266	17.6
833.52789	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	0.7
60.11377	0.5
61.02926	4.3
67.05511	5.1
69.03426	3.5
69.07070	2.9
71.05029	0.6
71.07380	0.6
73.02919	3.1
79.05493	4.1
81.03426	1.7
81.07058	4.5
81.69299	0.5
83.04980	0.5
83.08615	0.9
85.02910	4.2
86.09712	4.0
91.03967	1.8
91.05474	4.0
93.07040	5.2
95.04980	1.0
95.08617	3.0
97.02897	4.3
97.06562	0.9
101.02377	1.3
105.07038	5.4
106.39432	0.5
107.04968	0.9
107.08604	2.4
109.10170	1.7
117.07034	2.1
119.08603	2.3
121.10168	0.8
125.00054	2.8
127.03928	0.7
131.08607	1.2
133.10159	3.1
135.11737	1.3
137.09628	0.6
145.10101	1.1
147.11723	1.3
149.09692	0.7
171.11708	0.6
175.92442	0.6
179.14482	0.5
184.07353	12.6
184.08928	0.8
185.04260	1.5
185.07683	0.5
220.87939	0.6
229.14420	0.6
243.08383	3.7
301.08987	0.9
315.10541	0.8
315.19336	4.9
371.22125	1.1
422.89737	0.6
465.21161	1.1
495.22278	0.9
533.27191	10.4
535.28870	7.9
605.29755	1.2
633.32788	0.6
750.22583	0.6
765.62207	0.5
827.49078	100.0
828.49426	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94164	0.9
61.02933	3.2
67.05508	6.8
69.03434	3.6
69.07076	3.8
69.61107	0.9
73.02934	2.6
79.05494	5.0
81.03434	1.1
81.07068	6.7
82.43526	0.8
83.08662	1.6
85.02925	4.4
86.09718	2.1
91.03962	2.2
91.05495	3.6
93.07039	4.7
95.04990	2.5
95.08611	4.7
97.02886	4.3
97.10235	1.2
98.22578	2.3
99.04494	1.0
101.02403	1.3
105.07057	2.1
107.08586	4.3
109.10172	1.8
109.50427	1.0
119.08599	2.5
121.10175	1.8
125.00029	1.3
127.03920	2.1
131.08586	1.1
142.13962	0.9
145.10199	1.1
147.08028	0.8
149.09615	1.5
178.68381	0.8
179.88092	1.1
184.07297	7.7
187.79189	1.0
195.54471	1.0
223.13306	2.5
243.08357	2.2
275.20193	1.0
291.19656	1.5
294.12164	1.1
335.26016	1.6
336.26440	1.4
337.27545	2.9
338.27573	1.1
424.15887	1.1
519.29321	6.2
542.88959	1.0
549.26947	6.9
612.47174	1.0
617.31671	1.2
630.48016	2.0
827.49115	100.0
828.49219	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	10.8
63.83105	1.0
65.03951	1.1
67.05514	20.8
68.05845	1.3
69.03432	5.3
69.07085	5.5
71.05003	1.1
73.02925	5.4
79.05500	12.5
81.03418	5.2
81.07063	20.5
82.07401	2.4
83.05007	2.8
83.08640	3.3
83.91049	1.0
85.02901	7.2
86.09725	4.9
91.03972	4.1
91.05471	8.6
93.07058	12.3
94.07387	1.7
95.05001	3.3
95.08622	12.2
96.08969	1.5
97.02917	7.2
97.06548	2.4
97.10172	1.2
98.23400	4.0
99.04443	1.4
101.02420	2.4
105.07057	6.4
106.07362	1.0
107.08611	6.7
108.08965	1.8
109.06569	1.5
109.10187	5.4
110.10510	1.2
111.08157	1.4
117.07062	3.1
118.07404	1.1
119.08592	5.0
120.08963	1.0
121.10134	5.2
123.11702	1.1
125.00031	2.0
127.03931	2.1
129.07076	1.0
131.08601	3.7
133.10132	4.9
135.11739	2.0
145.10112	1.2
147.11697	2.4
153.46912	1.1
159.11627	1.1
160.11977	1.2
163.14859	1.2
184.07343	10.1
185.07770	1.2
195.13828	1.2
213.05743	1.1
243.08508	1.4
269.17529	2.8
275.20279	2.1
294.97711	1.0
308.05573	1.0
313.17856	2.2
331.19009	4.9
335.25790	1.4
336.25912	1.3
336.71075	1.0
337.27451	6.9
338.27759	5.5
349.24066	1.5
350.24246	1.7
427.30081	1.2
518.39264	1.3
519.29272	13.3
531.40356	2.6
532.40588	5.6
549.26923	1.5
572.43903	1.7
612.47101	2.6
620.04218	1.1
630.48340	1.4
679.51453	1.4
697.46564	1.4
729.41809	2.9
809.48120	14.5
810.48761	2.1
827.49078	100.0
828.49683	16.8
828.64465	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	828.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
66.37538	0.3
66.69234	0.3
67.01859	1.1
81.03432	1.6
89.03919	0.9
91.05483	7.7
92.05824	0.4
99.04433	0.4
109.02896	2.9
117.03373	3.9
119.04949	20.1
120.05296	0.8
121.06480	0.3
127.03903	3.9
145.02846	10.5
146.03200	0.8
147.04411	100.0
148.04727	3.6
149.05986	1.1
163.07401	0.3
165.05458	0.7
177.05476	16.7
178.05841	0.9
229.08568	0.9
255.06572	0.5
258.92944	0.3
273.07568	7.8
274.07819	0.4
324.71457	0.3
339.10693	0.6
379.97369	0.3
382.90424	0.3
445.07266	0.7
455.13358	9.6
456.13708	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	828.271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.3
67.83801	0.3
76.79932	0.3
81.03429	0.3
89.03916	1.8
91.05488	8.9
109.02873	1.4
117.03381	3.3
119.04952	19.1
120.05262	0.8
127.03947	0.5
145.02855	10.1
147.04416	100.0
148.04747	3.0
149.05994	1.4
177.05478	23.9
178.05873	0.7
205.52417	0.3
259.09729	0.4
273.07642	1.2
303.08707	0.4
419.11368	0.8
455.13251	0.6
631.18378	0.7
710.20557	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	828.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74366	6.2
67.05511	83.4
69.07063	46.8
71.08641	10.2
78.39821	6.9
79.05489	61.7
81.07066	81.9
83.04994	14.6
83.08598	31.4
85.10182	11.0
86.09718	16.0
91.05496	33.8
93.07044	57.1
95.05004	14.1
95.08595	48.3
97.10161	14.0
105.07043	26.6
107.04943	9.8
107.08595	38.3
109.10155	18.6
117.07034	9.9
119.08598	25.3
121.10162	22.3
123.08085	8.2
123.11791	9.6
124.99981	11.8
131.08528	16.4
133.10124	17.0
135.11703	18.2
137.09702	6.9
143.08539	7.3
145.10143	14.1
147.11659	9.3
149.13260	13.7
163.11206	11.3
172.93910	6.3
177.12698	6.5
184.07298	50.6
192.99577	6.3
255.15997	16.3
263.84882	6.7
269.17529	30.1
275.20004	28.8
337.27374	13.7
339.28943	100.0
340.29202	8.4
349.23721	25.0
351.24942	7.4
369.26483	10.0
423.64133	7.2
427.41095	6.9
519.40161	16.3
533.42078	81.0
534.42310	10.6
573.45227	10.1
613.48248	35.5
631.49261	13.7
829.48602	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.9
67.05508	57.0
69.03435	3.2
69.07071	43.9
69.67938	7.6
69.68321	6.0
71.05005	4.6
71.07352	4.3
71.08585	3.4
79.05494	37.6
81.07062	100.0
81.07532	5.9
81.61504	3.3
83.04993	5.6
83.08622	28.2
83.75220	3.2
85.06558	4.1
86.09717	7.2
91.05482	25.4
93.07050	35.2
95.04992	8.9
95.08617	41.7
97.02919	3.5
97.06538	8.3
97.10184	10.3
105.07030	30.7
107.04958	7.1
107.08601	24.4
109.06535	18.2
109.10146	14.7
111.08087	7.3
111.11710	3.3
117.07023	6.8
119.08559	18.6
121.10150	19.2
123.08063	7.7
123.11713	10.8
125.00042	6.1
131.08575	10.5
133.10153	12.7
135.11705	10.6
137.09648	4.6
145.10159	8.6
147.11673	16.2
149.09650	3.9
149.13297	9.7
159.11739	6.1
163.14868	4.7
171.11746	5.5
173.13293	3.7
184.07343	26.7
230.19487	3.6
247.20444	3.7
257.18988	5.3
261.58823	3.3
265.25272	4.3
275.20041	41.2
276.85941	3.5
293.21127	14.4
316.85260	3.5
339.28934	80.9
340.29333	8.4
349.23755	26.8
359.90802	3.3
367.24771	36.2
468.92532	3.9
613.48181	42.3
631.49219	48.7
829.48083	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	828.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	91.7
69.03437	5.5
69.07071	38.1
69.09132	19.6
71.04980	3.0
71.08632	13.8
79.05487	42.2
81.03413	4.1
81.07056	96.4
81.07533	6.4
81.61523	2.7
83.04996	9.5
83.08622	31.4
84.14063	2.8
85.02916	3.7
85.10188	5.9
86.09709	20.8
91.05485	41.9
93.07048	47.4
95.04967	13.9
95.08607	61.3
95.09165	4.6
97.06533	14.3
97.10175	7.9
98.23381	6.4
99.08094	8.9
105.07037	27.3
107.04948	4.0
107.08611	27.7
109.06534	6.1
109.10170	25.3
111.08092	22.7
113.09686	3.4
117.07049	5.4
119.08578	22.5
121.06551	3.3
121.10126	23.3
123.08084	4.9
123.11731	11.9
124.98003	2.8
125.00047	10.3
125.09617	5.0
131.08537	7.5
133.10152	19.8
135.11729	9.0
137.09666	4.2
137.13283	3.9
139.11130	3.7
145.10092	7.2
147.08078	4.0
147.11678	17.2
149.09673	9.7
149.13304	8.0
151.11197	9.1
157.10121	4.6
159.11711	5.8
161.13335	8.4
163.11183	3.8
163.14806	4.2
165.12712	15.3
173.13387	2.8
175.14792	5.0
179.14291	5.8
184.07352	72.1
188.70619	2.9
203.03053	2.9
223.13353	7.2
249.22136	4.1
259.20526	5.2
263.23758	5.0
267.15958	4.3
275.19952	14.3
275.92841	3.3
277.21652	53.4
278.22055	4.2
293.21146	6.0
293.27432	2.8
295.22708	24.5
337.27347	100.0
339.28940	16.7
340.28287	3.7
351.25305	31.9
367.24765	6.7
369.26413	45.1
370.26816	3.7
375.44781	3.4
531.40021	5.7
613.48242	51.0
631.49255	79.0
632.49451	13.3
808.17163	3.7
828.47418	27.2
829.50470	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	829.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.1
67.05515	5.5
69.03436	3.8
69.07066	1.7
71.01368	0.8
71.04980	1.1
71.27309	0.7
73.02925	4.7
79.05494	4.3
81.03431	4.5
81.07064	4.4
81.37872	0.7
82.78101	0.8
83.08620	1.4
85.02906	7.2
91.03957	4.5
91.05489	3.0
93.07071	4.4
95.04988	1.6
95.08620	1.8
97.02906	6.5
97.06514	1.4
97.10168	1.0
99.04437	1.6
101.02405	1.8
105.07042	2.4
107.08611	2.2
111.08089	0.9
112.29535	0.8
115.03935	0.9
117.07012	0.9
119.08574	1.8
121.06553	1.7
121.10202	1.4
127.03935	2.2
131.08572	1.6
133.10159	2.0
135.11662	3.8
136.06166	2.0
145.10167	1.4
147.11710	1.0
158.95328	0.9
162.32333	0.8
163.11220	1.5
203.05359	0.8
221.11444	1.0
243.08403	3.4
251.12451	1.3
342.31592	0.8
347.09546	1.8
349.23770	0.9
364.83514	0.8
405.13843	4.4
439.19339	8.9
469.20334	4.2
485.19620	1.4
503.20911	0.9
567.27625	1.3
601.24847	6.5
631.25696	2.8
667.32819	3.2
811.40265	2.8
829.38568	100.0
830.38751	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	829.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20216	0.6
61.02934	3.2
62.86760	0.9
67.05510	5.2
69.03452	3.1
69.07070	2.5
69.61088	1.7
69.61500	2.3
71.04990	1.8
73.02918	3.5
79.05517	4.5
81.03429	3.8
81.07069	5.8
83.08653	0.8
85.02934	4.1
86.09726	1.9
91.04007	2.6
91.05476	3.8
93.07060	3.8
95.04994	1.3
95.08647	2.3
97.02907	4.0
97.10216	0.9
98.23271	0.9
99.04469	0.8
101.02427	1.6
105.07076	2.6
107.08639	2.4
109.02885	1.6
109.10186	1.4
115.92822	0.7
119.08653	2.3
121.10165	1.6
125.09666	1.0
127.03976	1.9
131.08562	1.6
133.10181	1.4
147.11708	1.8
149.09650	1.4
157.10220	1.1
175.11336	0.9
184.07339	4.5
185.07729	1.2
193.12415	1.0
243.08466	3.5
271.22214	0.7
283.15277	3.2
351.21661	2.0
363.08475	1.0
407.24503	1.1
460.44196	0.7
487.54947	0.8
499.21841	1.1
501.23157	13.5
502.23544	1.0
569.29260	8.5
570.30511	1.6
709.30731	0.8
739.38623	2.5
740.39313	1.0
829.45691	100.0
830.46118	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	829.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	1.7
67.05172	1.2
67.05509	5.7
69.07058	1.6
70.18322	1.3
79.05509	2.9
81.07050	6.5
84.15117	1.7
85.02907	1.7
86.09718	2.1
91.05486	1.8
93.07072	2.3
95.08631	3.1
97.02916	2.0
98.22588	4.5
105.07057	1.8
116.96658	1.7
125.00034	1.8
132.76189	1.6
133.10120	1.6
174.55103	1.3
175.12347	1.5
184.07393	6.2
227.65024	1.4
270.37213	1.4
288.00320	1.5
300.61523	1.5
315.84314	1.5
337.27536	2.2
338.27740	1.8
372.52570	1.6
479.90604	1.6
558.59875	1.5
632.49915	4.0
829.49091	100.0
830.49030	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	8.1
67.05508	7.1
69.03427	4.4
69.07079	2.6
71.05001	0.5
71.21745	0.6
73.02924	4.9
76.90833	0.4
79.05494	4.5
81.03404	2.5
81.07064	9.8
83.05000	0.5
83.08622	1.1
85.02911	6.0
86.09711	0.8
91.03966	4.1
91.05483	4.4
92.30666	0.4
93.07047	5.1
94.07365	0.4
95.04966	1.0
95.08607	4.3
97.02891	6.0
97.03517	0.5
97.06536	0.4
99.04462	0.9
101.02371	2.9
105.07024	2.3
107.08613	3.0
109.02880	1.1
109.06528	1.0
109.10162	1.7
115.03951	0.6
117.07038	0.9
119.08589	2.3
119.55161	0.4
121.10179	1.7
123.08109	0.6
123.11682	0.5
125.00080	1.1
127.03951	1.7
129.05565	0.4
131.08595	1.4
133.10150	1.7
135.11708	0.8
145.10129	0.9
147.11711	1.6
149.13235	0.6
159.11749	0.4
173.13252	0.5
184.07358	3.0
185.04259	1.0
185.07744	0.4
203.05356	0.5
243.08421	4.2
275.20020	0.5
333.20364	3.6
335.25562	0.6
389.23071	0.7
423.19827	0.6
425.94186	0.4
483.22031	0.4
519.29309	8.3
519.36597	0.6
520.29962	0.8
551.28284	7.4
552.29315	0.6
591.31439	0.8
605.33313	0.6
643.18524	0.5
829.50665	100.0
830.50934	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.1
67.05501	6.4
69.03425	4.2
69.07078	1.7
70.82060	0.7
70.82399	0.5
71.01379	0.6
71.04995	0.7
73.02918	5.2
79.05492	3.8
81.03425	1.7
81.07055	5.0
83.05000	1.0
83.08618	1.1
85.02895	5.3
86.09716	1.5
87.04467	0.4
91.03948	3.4
91.05474	3.1
93.07043	4.3
94.77084	0.4
95.04978	0.7
95.08618	4.4
97.02890	5.0
97.10193	0.6
99.04433	0.9
101.02384	2.7
105.07015	1.8
107.04979	0.6
107.08601	2.8
109.02908	1.0
109.06521	0.6
109.10172	1.6
111.04470	0.8
117.07021	0.7
119.08611	1.7
121.10117	1.9
123.11684	0.6
125.00024	0.9
127.03943	1.2
131.08594	1.1
133.10167	1.0
135.11690	0.7
145.10161	0.5
147.11745	0.5
149.13293	0.8
159.11688	0.5
161.13289	0.5
163.11269	0.5
173.13289	0.6
176.65163	0.4
184.07321	4.2
185.04311	0.6
185.07721	0.5
203.05324	0.5
243.08411	2.3
299.13306	0.4
333.20291	2.8
335.25897	0.6
467.54849	0.4
519.29279	9.7
520.29382	0.8
551.28204	4.2
829.50647	100.0
830.50897	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.0
61.03225	0.4
62.14503	0.3
65.03969	0.4
65.56343	0.2
65.87896	0.3
66.53841	0.3
67.05507	5.3
69.03434	3.6
69.07083	1.3
70.81982	0.4
70.82329	0.6
71.01350	0.5
71.05018	0.7
73.02914	3.6
73.62447	0.3
79.05500	3.8
81.03417	1.9
81.07061	5.3
83.05006	0.8
83.08614	0.4
85.02909	4.6
86.09722	0.9
87.04456	0.3
87.42459	0.3
91.03945	2.2
91.05479	2.7
93.07043	4.2
95.04980	0.8
95.08611	3.1
97.02906	4.2
99.04501	0.7
101.02373	1.8
105.07042	2.0
107.08601	2.1
109.02901	0.8
109.10178	1.1
115.03903	0.4
117.07023	0.7
119.08630	1.2
121.10197	1.3
125.00069	0.5
127.03976	0.9
131.08595	0.8
133.10168	1.0
135.11719	0.8
145.10161	0.8
147.11732	0.4
159.11746	0.3
184.07352	2.0
200.94708	0.3
203.05467	0.3
217.98840	0.3
243.08365	1.6
333.20313	2.0
335.25818	0.3
430.60669	0.3
439.19647	0.3
467.88434	0.3
519.29395	6.9
551.28174	4.0
552.28833	0.4
667.45404	0.5
731.43756	0.3
829.50708	100.0
830.51007	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08186	1.9
61.02925	4.0
67.05505	4.1
68.65921	1.5
71.31233	1.8
72.98078	1.5
73.02920	2.8
77.45888	1.3
79.05495	4.7
81.07066	2.9
85.02926	5.1
86.09722	6.8
91.03970	4.1
91.05485	4.6
93.07057	6.5
95.08621	2.4
97.02885	3.9
105.07045	5.0
107.08593	1.6
119.08596	1.9
121.10146	3.0
125.00032	5.9
133.10110	3.0
135.11736	2.0
146.69421	1.7
159.11719	1.7
182.22253	1.7
184.07352	20.3
184.08711	1.8
185.07721	2.0
198.30507	1.5
243.08508	3.2
334.88672	1.8
397.80078	1.7
414.20267	1.5
525.23950	2.1
535.28796	16.9
602.40845	1.6
829.50659	100.0
830.51129	11.9
854.45703	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	830.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06365	0.2
58.06633	0.5
60.08165	6.1
67.05504	0.5
68.27776	0.1
68.99953	0.4
69.00377	0.8
69.07066	0.2
70.06606	0.2
70.74738	0.1
71.07376	4.0
73.99730	0.1
76.54413	0.2
79.05492	0.3
81.07063	0.5
86.09706	31.4
87.10033	0.8
91.05472	0.3
95.08609	0.3
98.23386	0.3
98.98463	3.6
98.99107	0.2
104.10744	2.6
105.06979	0.2
107.08621	0.3
119.08588	0.1
125.00005	20.9
126.00372	0.2
133.10158	0.2
136.06244	0.2
143.01048	0.2
184.07344	100.0
184.43459	0.2
185.07713	2.2
186.07698	0.4
240.77327	0.1
647.42792	0.2
674.44171	0.3
714.46832	0.3
794.52338	0.6
812.54395	3.9
813.54761	0.7
830.54071	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	830.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.2
58.06624	0.6
60.08165	6.8
67.05516	0.5
70.06587	0.3
70.38437	0.5
71.07376	5.3
73.42492	0.2
73.59214	0.2
77.31179	0.2
77.83649	0.2
79.05474	0.2
81.07059	0.3
86.09707	36.2
87.10052	0.5
87.64586	0.2
93.07069	0.4
98.98467	4.5
104.10750	3.4
104.75370	0.2
125.00005	25.0
126.00306	0.2
128.85840	0.2
129.85724	0.2
143.01076	0.4
143.02068	0.2
184.07344	100.0
185.07710	1.5
279.82156	0.2
300.07263	0.2
399.42746	0.2
519.06512	0.2
586.28845	0.2
698.43829	0.2
712.44940	1.0
753.21973	0.2
794.52576	0.6
812.54523	2.8
813.54492	0.3
830.55292	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	830.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06628	0.5
59.07407	0.2
60.08166	5.4
64.91638	0.2
71.07375	3.6
77.83649	0.2
79.05502	0.2
81.07063	0.4
86.09707	29.6
86.83090	0.2
87.10043	0.5
91.05476	0.2
93.07040	0.2
98.23483	0.3
98.98469	3.6
98.99107	0.2
104.10742	2.7
105.06992	0.2
105.24757	0.2
108.09162	0.2
114.72486	0.2
125.00008	20.5
126.00334	0.3
141.08638	0.2
160.37978	0.2
184.07344	100.0
185.07721	1.7
186.07741	0.3
192.24112	0.2
192.26094	0.2
207.45374	0.2
227.08675	0.2
427.29407	0.2
675.11517	0.2
712.45343	1.4
794.53577	0.9
812.54181	2.4
813.54126	0.4
818.13922	0.2
830.54645	0.2
831.45056	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	831.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83207	0.5
65.85877	0.5
67.05473	1.0
70.06560	0.5
71.29943	0.4
71.30401	0.5
81.07024	0.6
91.05459	1.3
93.07011	0.5
103.05484	0.7
119.04953	0.9
120.92053	0.6
121.06480	2.1
137.05925	0.9
147.04379	1.7
148.04703	0.8
160.62141	0.5
175.03674	1.4
176.04396	0.8
177.05411	1.7
189.05324	0.5
204.03934	0.9
205.04732	73.4
206.05020	2.1
217.04744	0.5
218.05510	10.5
219.06209	1.1
229.14478	1.0
232.07083	9.2
233.07829	1.4
245.07858	0.5
249.07436	1.6
267.16125	0.7
327.64594	0.5
376.09192	0.6
385.18930	0.5
393.09366	1.3
397.12518	0.6
408.11798	1.3
415.13705	5.8
421.12515	2.4
421.25577	0.9
429.15234	9.5
430.15796	0.6
445.14877	0.7
534.58954	0.5
598.51233	0.5
634.20502	5.4
635.21204	1.3
636.22510	0.7
644.35583	0.6
831.28351	100.0
832.28607	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.283
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51341	1.0
91.05521	0.9
93.07076	1.0
121.06528	2.0
147.04460	1.0
149.14044	1.0
167.07108	1.1
173.02110	1.5
175.03676	100.0
176.04146	3.3
200.24763	1.0
201.05312	1.2
203.03017	1.0
204.04073	1.7
205.04793	4.8
232.07114	1.0
287.09314	0.9
304.91968	1.0
349.54541	0.9
409.12802	1.9
425.12115	1.1
438.13046	2.8
439.13742	9.1
440.14316	2.3
441.15491	3.0
453.15201	11.1
453.20862	1.4
454.15759	1.6
467.16827	3.2
483.16132	5.3
520.03143	0.9
597.75439	1.1
605.19855	1.1
617.19617	1.3
634.20416	2.1
635.21112	2.4
636.21667	16.1
637.22327	8.6
638.21716	1.1
801.27112	3.8
831.28314	87.4
832.28894	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	831.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77147	0.9
60.08154	1.3
61.02930	7.7
67.05508	6.6
69.03438	3.6
69.07078	1.2
71.07386	0.9
71.08646	1.7
71.29740	1.2
73.02917	4.7
79.38357	0.8
81.03405	2.5
81.07054	3.0
83.08630	2.0
85.02916	8.6
85.10191	1.0
85.33887	0.9
86.09714	9.6
91.03954	4.1
91.05504	1.2
93.07073	1.1
95.08623	2.5
97.02913	5.5
99.04427	1.1
101.02401	1.6
109.10174	5.6
119.08646	1.0
125.00002	5.7
127.03928	3.6
162.00316	1.0
173.11763	2.5
181.87105	1.1
184.07358	21.4
185.04309	2.1
185.07713	3.2
195.10062	1.0
199.67587	0.9
201.51353	0.9
203.05275	1.5
243.08476	2.7
327.57886	0.9
331.55652	0.8
334.22504	1.0
347.09561	2.6
405.13599	6.0
413.17743	10.7
497.30527	4.5
498.45044	1.0
511.07236	0.9
575.23114	10.5
576.23077	1.3
648.49146	1.9
649.44366	2.2
659.36304	4.9
669.41522	3.3
772.47528	1.4
790.07367	1.1
831.46973	100.0
832.47174	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	831.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	1.1
61.02924	4.9
67.05515	5.6
69.03441	2.8
69.07066	3.1
69.64481	2.7
71.07396	1.0
73.02912	3.9
79.05506	2.6
81.03426	1.6
81.07072	6.9
82.86540	0.7
83.08614	1.9
85.02906	4.4
86.09709	6.4
87.10042	0.8
89.83176	0.7
91.03971	2.7
91.05492	1.3
93.07054	1.7
95.04989	0.8
95.08585	4.7
97.02910	3.9
97.92055	0.7
98.23237	1.1
98.98450	0.9
101.02393	1.1
105.07007	1.1
107.08617	1.7
109.02878	0.8
109.10187	2.8
119.08625	1.5
121.10194	1.3
123.11726	0.9
125.00006	5.1
127.03957	1.5
133.10194	1.0
133.50496	0.7
147.11804	0.8
149.08496	0.6
184.07356	22.0
184.08922	1.2
185.04247	1.0
185.07692	3.6
243.08470	2.1
261.27121	0.8
333.20404	3.8
521.30841	7.3
522.31036	1.1
551.28601	3.1
560.33112	0.9
831.52130	100.0
832.52484	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	833.226
Annotation	Unknow
Peak:m/z	Relative Intensity
73.59534	0.4
77.96490	0.4
91.05484	2.1
93.07025	0.6
98.22569	1.1
101.99957	0.4
109.66490	0.5
119.04964	2.5
121.06509	1.2
133.02905	0.7
137.05986	1.1
145.02896	0.6
147.04411	10.1
147.05496	0.9
148.04813	0.9
149.06006	0.6
151.03946	0.6
167.03186	0.9
169.02596	5.1
177.05463	1.5
181.05003	0.7
187.03703	4.5
205.04744	3.0
210.11153	0.5
229.34491	0.5
243.06407	1.6
257.04208	5.3
259.05902	2.0
313.06848	1.5
317.06586	0.8
322.36823	0.5
331.07846	2.7
379.10022	3.5
408.23056	0.5
477.11594	60.1
478.11908	5.9
495.12631	43.3
496.13080	4.3
833.22357	100.0
834.22546	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	833.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.9
67.31219	0.6
69.59290	2.0
69.59686	1.4
74.29403	0.6
76.06676	0.6
79.05489	1.0
81.03378	2.1
85.02903	1.0
89.03904	1.3
91.05449	3.7
95.48671	0.8
98.23341	0.8
105.07034	0.7
105.53602	0.6
107.04946	1.0
109.02868	0.7
109.06490	0.6
115.05455	0.7
117.03323	2.1
119.04951	6.9
121.06497	0.9
137.05011	0.8
137.05992	8.1
145.02873	7.3
147.04424	21.4
149.02046	1.7
149.05980	1.3
151.03906	1.4
161.06010	0.8
167.07016	1.3
169.02631	13.9
173.05942	1.3
175.03741	4.2
177.05470	6.5
181.04910	0.9
185.05946	0.8
186.03117	1.5
187.03638	5.2
199.03641	5.3
201.05508	7.7
205.04654	8.2
205.06508	2.3
206.07123	0.9
213.05438	1.3
217.04643	1.3
217.06577	0.9
218.05412	1.6
222.06740	1.6
232.06917	2.3
233.05928	2.3
234.06711	3.8
237.09029	2.1
249.05382	0.8
249.09045	1.0
250.06268	1.5
262.06183	3.1
264.07867	1.4
265.08694	3.3
277.08615	3.4
278.05560	1.0
279.10019	0.8
290.05710	3.3
292.07077	2.2
293.08093	4.3
294.08682	1.1
301.03656	1.0
302.04260	6.9
305.08032	5.4
307.09705	4.7
313.06992	3.3
317.06567	18.9
318.06845	1.0
325.10715	24.9
326.10852	1.5
331.07898	1.0
333.07190	1.3
337.10736	8.4
338.11121	0.8
343.07953	3.8
355.11572	0.9
361.08582	0.9
405.09738	0.6
415.13303	1.0
429.14999	1.0
442.04730	0.7
469.14786	1.5
487.15768	1.4
489.11020	1.1
507.12155	1.3
525.13538	1.2
525.21991	0.7
653.15662	1.3
654.15460	0.7
671.17365	72.4
672.08228	0.8
672.17676	8.7
710.25635	1.1
833.21753	100.0
834.22278	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70727	0.3
61.54039	0.3
70.06579	0.3
71.30181	0.4
76.43974	0.3
79.05465	0.4
81.03409	0.5
91.05454	0.8
93.06982	0.4
103.56651	0.3
107.04929	0.7
119.04907	0.9
121.06535	1.5
137.05954	1.1
145.02832	0.5
145.06494	0.4
147.04416	1.3
150.06981	0.3
161.05957	0.3
165.05476	0.3
167.07045	1.2
169.77538	0.4
173.05939	0.5
175.03680	44.0
176.03996	1.7
177.05510	1.0
178.05734	0.4
181.05009	0.6
187.03679	0.4
189.05382	0.4
191.07057	0.3
201.05586	0.6
202.33458	0.3
203.03154	0.4
204.03954	1.3
205.04709	1.5
207.06595	0.3
219.06258	0.4
234.06822	0.4
267.06992	0.4
278.21722	0.3
293.08047	0.5
302.04318	1.8
317.06546	4.2
325.10681	1.3
328.62122	0.3
337.10742	0.7
343.08081	0.3
391.11890	0.4
409.12823	0.4
410.13455	0.5
421.12787	0.9
424.11337	0.7
425.11905	0.5
438.13126	1.4
439.13693	1.8
440.14383	1.8
452.14798	0.3
453.15237	3.5
455.16959	0.5
459.27649	0.5
467.16901	0.5
477.28772	0.4
483.16501	0.4
593.19788	0.4
617.19916	0.6
621.19659	0.8
635.21039	0.9
636.21692	1.4
637.22968	1.3
649.22107	0.4
656.07489	0.4
671.16913	1.8
763.47321	0.4
785.28595	0.6
803.29272	0.4
833.29974	100.0
834.30341	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	833.299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59824	0.5
67.05512	0.7
70.06602	1.1
81.03430	1.1
91.05493	1.4
91.61166	0.7
93.07052	0.7
98.90165	0.5
99.90282	0.5
105.07063	0.7
107.04980	0.6
116.53049	0.6
121.06538	3.2
135.04391	0.5
136.07610	0.6
137.06013	1.2
146.06075	0.6
147.04472	2.3
149.06087	0.6
151.03946	1.0
161.17267	0.6
164.07097	0.7
165.05606	0.5
167.07106	1.7
175.03758	1.9
175.07622	0.8
175.11995	0.8
177.05452	1.7
189.05255	0.8
191.07074	0.5
203.03203	1.1
205.04733	58.0
206.05258	2.0
217.04970	0.6
218.05513	9.2
219.06364	0.9
232.07066	7.5
246.07436	0.8
249.07422	1.6
305.71161	0.5
317.06763	1.4
343.08270	1.5
346.57791	0.5
378.10876	0.9
380.12656	0.6
395.10977	1.1
410.13531	1.9
411.14035	0.6
415.13617	4.6
423.14157	4.2
429.15219	8.4
431.81967	0.6
440.78778	0.6
636.21674	3.9
637.22290	1.9
833.29956	100.0
834.30237	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	0.6
70.06575	0.7
71.29942	0.6
81.03385	0.8
91.05491	2.1
93.07098	1.0
95.04939	0.9
99.93887	0.6
119.04955	0.8
121.06549	2.0
127.03936	0.7
137.06070	1.6
146.06029	0.7
147.04469	1.5
151.03940	1.0
161.06023	0.7
165.09138	0.6
167.07115	1.7
175.03824	1.9
175.07690	0.7
175.12030	0.8
176.04517	0.9
177.05399	1.6
195.33681	0.6
203.03166	0.7
205.04735	59.2
206.03400	0.6
206.05188	2.3
218.05493	9.5
232.07083	8.4
232.09003	0.6
240.67590	0.7
249.07379	0.9
263.07074	0.8
295.09927	0.9
302.04169	0.8
317.06729	1.8
343.08423	0.9
355.11993	0.8
378.10687	0.9
395.11053	0.9
410.13681	1.6
415.13763	4.8
423.14288	5.6
429.15228	9.3
455.16302	0.7
495.13440	1.2
636.21790	5.0
637.22632	1.7
710.25830	0.7
738.94012	0.7
833.29950	100.0
834.30402	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96750	0.6
66.79617	0.6
68.99789	1.2
69.03433	3.1
71.01376	0.8
71.04994	1.4
79.05505	0.7
81.03421	36.6
82.03739	0.8
85.02899	1.9
89.03912	1.2
97.02917	1.4
98.23370	1.8
99.04459	2.0
105.03384	1.6
107.04912	1.5
109.02879	18.2
113.19015	0.6
117.03395	1.4
125.02381	1.0
127.03922	26.4
133.02840	4.7
135.04417	2.8
137.02309	0.8
145.02850	1.9
147.04399	2.7
150.59631	0.6
151.03918	1.0
153.01857	4.5
157.93069	0.7
161.02324	6.2
163.03925	12.1
164.04182	1.1
165.01872	2.6
167.03435	2.8
173.02347	2.9
175.03920	2.0
177.02013	1.0
179.03354	3.6
181.01294	1.1
189.01839	14.2
190.02544	1.2
191.03403	13.8
193.01335	1.5
195.03015	1.5
196.27034	0.6
201.01859	6.0
203.03389	3.5
205.01456	0.8
207.02896	12.2
208.03291	0.8
212.09827	0.6
217.01329	29.0
218.01927	1.8
219.02895	18.0
220.03214	1.1
221.00755	5.3
221.04381	1.2
229.01318	3.0
231.02844	4.3
235.02382	32.7
236.02856	1.4
237.03729	0.6
239.01852	2.2
245.00826	25.2
246.01384	1.0
247.02386	12.4
249.03931	1.0
257.00916	3.1
259.02411	1.9
263.01901	11.9
269.04663	0.7
271.99493	1.2
273.00323	21.6
274.00800	1.7
275.01898	15.5
277.03360	1.2
283.02200	0.8
287.01703	0.9
291.01382	6.6
299.04807	0.7
300.99759	9.1
301.03183	1.2
302.00357	1.5
303.01428	2.5
319.00842	26.2
320.01227	2.3
325.03531	1.0
337.01898	100.0
338.02258	5.6
339.03369	0.8
340.03247	0.7
345.06686	0.7
353.03094	0.9
357.02264	0.8
361.02017	5.9
379.02911	2.9
381.02151	0.8
386.29562	0.6
386.36111	0.7
399.03470	1.3
403.02802	1.3
410.42529	0.7
417.04532	2.2
427.02911	5.3
445.03998	13.7
446.04379	1.6
454.03891	0.7
461.23291	0.8
462.99152	0.8
463.05151	11.4
464.05325	1.3
481.06149	1.4
655.01758	0.9
673.02325	1.0
745.02734	1.4
763.03552	2.8
764.03290	1.0
770.36255	0.8
781.05389	8.3
782.05731	1.3
799.06000	10.0
800.05652	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	834.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	1.4
69.03443	3.9
69.70326	0.9
69.70721	2.3
71.01357	0.8
71.04984	1.9
77.03951	1.0
79.05513	1.3
81.03425	35.3
85.02916	1.4
86.15497	0.7
89.03933	1.2
91.05478	1.3
96.57276	0.8
97.02890	2.3
99.04459	3.0
105.03385	2.2
107.04958	2.9
109.02891	15.6
109.35168	0.7
110.03169	0.7
113.26547	0.8
117.03400	1.1
119.04977	0.7
125.02357	1.2
127.03925	33.4
128.04272	0.8
133.02847	5.4
135.04428	2.2
137.02321	0.8
145.02870	3.2
147.04372	3.2
151.03940	1.9
153.01842	2.1
161.02357	8.2
163.03908	19.3
165.01875	3.0
173.02353	3.2
175.03940	3.5
177.01860	1.3
179.03436	7.5
181.01385	1.1
189.01839	18.5
190.02400	1.3
191.03404	21.8
193.01335	3.3
193.04965	1.0
195.02895	1.1
201.01834	11.2
202.02168	0.8
202.10295	0.7
203.03426	2.5
205.01346	1.8
207.02902	18.8
217.01324	31.9
218.01967	1.4
219.02893	27.8
220.03270	1.1
221.00789	6.7
221.04413	1.8
229.01306	5.2
231.02856	3.1
235.02383	49.3
236.02826	1.6
239.01924	2.2
241.04947	0.7
245.00815	29.0
246.01122	1.2
247.02419	19.5
257.00836	3.1
259.02426	1.0
263.01892	13.8
264.02072	0.9
271.99585	0.9
273.00317	29.2
274.00726	2.3
275.01849	16.2
276.02231	1.2
277.03650	1.3
291.01373	9.9
297.04062	0.8
300.99844	14.3
301.03204	0.7
302.00482	1.8
303.01392	2.6
309.02493	0.8
319.00854	33.8
320.01102	1.7
337.01904	100.0
338.02286	5.7
339.96301	0.7
361.01859	3.7
417.04477	1.2
427.03000	1.7
445.04172	9.9
463.04944	7.0
464.41617	0.7
481.06277	0.9
543.79071	0.8
619.69238	0.7
644.36523	0.7
735.04773	0.8
753.06049	1.0
763.04114	4.6
764.04340	1.7
781.05133	20.2
782.04987	2.6
798.92139	0.9
799.06366	16.3
800.05896	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	834.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01839	1.0
69.03432	2.7
69.17163	1.4
71.04984	0.6
81.02988	0.4
81.03419	5.3
85.02906	2.5
91.05457	0.4
97.02874	1.1
99.04446	1.6
103.05453	0.8
109.02884	2.8
113.06000	0.8
114.05833	0.2
119.04929	0.5
127.03061	0.4
127.03930	4.5
129.03317	0.4
131.04913	0.7
141.05482	2.8
146.03676	0.3
147.04398	1.3
157.02861	1.0
159.98105	0.2
161.02396	0.3
163.03885	1.1
170.16945	0.2
173.02359	0.9
175.03906	2.0
185.02377	1.1
187.03897	3.8
191.03435	1.9
193.01302	0.3
199.04071	0.3
201.01839	1.4
203.03442	3.4
205.01340	0.3
207.02937	0.5
213.01857	3.4
213.05969	0.2
215.03375	3.9
216.03963	0.2
219.02914	1.9
221.00836	1.5
223.02380	0.3
227.03174	0.3
229.01352	2.2
230.02020	0.4
231.02892	16.7
232.03218	0.8
233.00882	0.6
235.02455	0.7
241.01355	3.3
242.01776	0.3
247.02399	3.9
257.00809	3.7
258.01407	0.4
259.02393	30.4
260.02722	1.7
261.03952	0.6
267.89905	0.3
273.04059	1.3
275.01868	6.5
276.02676	7.5
277.03436	100.0
278.03769	4.1
279.80722	0.3
285.00388	2.6
287.01776	0.4
289.03351	0.7
291.05075	2.1
293.02838	0.4
303.01352	50.4
304.01645	2.1
315.01309	0.5
317.02988	0.3
321.02432	3.0
322.02957	0.4
335.03983	2.8
345.02371	0.4
353.04895	1.8
355.04474	0.3
357.06064	0.4
363.03439	1.3
385.05701	0.5
411.04068	0.3
429.04388	0.7
447.05548	1.1
465.06677	4.4
466.07001	0.3
479.08282	0.7
483.07782	0.6
497.09512	0.5
785.07562	1.0
788.66669	0.3
799.09027	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	834.448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.4
65.03929	1.5
67.05507	33.7
69.03426	1.8
69.07073	9.0
71.04993	1.8
71.08631	0.7
73.02909	1.3
73.06564	1.1
79.05496	35.3
80.05831	0.7
81.03418	5.7
81.07059	34.7
82.07391	0.5
83.04980	6.1
83.08621	7.6
83.17757	0.6
85.02905	3.5
85.06543	2.2
87.04481	0.7
91.03949	1.6
91.05481	23.7
92.05809	0.6
93.07048	38.7
94.07369	1.2
95.04964	9.4
95.08608	14.6
97.02882	2.6
97.06522	4.0
97.10167	2.2
98.23457	0.9
99.08091	0.7
103.05558	0.6
105.04540	1.6
105.07036	15.7
107.04962	2.4
107.08602	13.5
109.06528	3.2
109.10144	3.9
111.04463	0.8
111.08088	3.3
115.05445	0.7
117.07018	5.9
119.08590	8.9
120.62077	0.5
121.06485	2.5
121.10150	5.9
123.08096	3.0
123.11743	0.8
125.09617	1.0
127.03961	0.6
127.07535	0.8
128.06233	1.3
129.05525	0.8
129.07010	6.1
131.08572	4.9
133.06508	0.7
133.10143	7.8
135.08051	1.0
135.11699	3.5
137.09608	0.6
138.54160	0.5
143.08583	3.8
145.10121	4.6
147.08063	0.5
147.11696	12.4
148.11972	0.6
149.09599	1.3
149.13260	10.6
151.11259	0.7
157.10109	1.1
159.11707	4.7
161.09647	1.5
161.13255	4.6
163.11179	2.1
167.08588	0.5
171.11708	7.8
175.11223	0.9
177.12822	2.0
189.12744	3.9
193.12262	1.0
195.13791	2.7
207.13802	7.9
208.13994	0.8
223.13313	1.3
229.14244	0.9
251.16533	0.7
267.15884	6.0
268.72226	0.5
269.17474	21.7
270.17868	1.1
275.20032	2.2
281.17477	20.2
282.17816	1.1
291.19379	0.7
293.21249	1.6
313.27249	1.5
335.26038	0.9
347.22089	0.5
358.06995	0.5
367.24829	1.5
457.29434	0.7
475.30566	100.0
476.30966	9.4
541.35321	1.6
559.36383	4.6
560.36987	0.6
619.34363	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	834.448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.4
65.03929	1.5
67.05507	33.7
69.03426	1.8
69.07073	9.0
71.04993	1.8
71.08631	0.7
73.02909	1.3
73.06564	1.1
79.05496	35.3
80.05831	0.7
81.03418	5.7
81.07059	34.7
82.07391	0.5
83.04980	6.1
83.08621	7.6
83.17757	0.6
85.02905	3.5
85.06543	2.2
87.04481	0.7
91.03949	1.6
91.05481	23.7
92.05809	0.6
93.07048	38.7
94.07369	1.2
95.04964	9.4
95.08608	14.6
97.02882	2.6
97.06522	4.0
97.10167	2.2
98.23457	0.9
99.08091	0.7
103.05558	0.6
105.04540	1.6
105.07036	15.7
107.04962	2.4
107.08602	13.5
109.06528	3.2
109.10144	3.9
111.04463	0.8
111.08088	3.3
115.05445	0.7
117.07018	5.9
119.08590	8.9
120.62077	0.5
121.06485	2.5
121.10150	5.9
123.08096	3.0
123.11743	0.8
125.09617	1.0
127.03961	0.6
127.07535	0.8
128.06233	1.3
129.05525	0.8
129.07010	6.1
131.08572	4.9
133.06508	0.7
133.10143	7.8
135.08051	1.0
135.11699	3.5
137.09608	0.6
138.54160	0.5
143.08583	3.8
145.10121	4.6
147.08063	0.5
147.11696	12.4
148.11972	0.6
149.09599	1.3
149.13260	10.6
151.11259	0.7
157.10109	1.1
159.11707	4.7
161.09647	1.5
161.13255	4.6
163.11179	2.1
167.08588	0.5
171.11708	7.8
175.11223	0.9
177.12822	2.0
189.12744	3.9
193.12262	1.0
195.13791	2.7
207.13802	7.9
208.13994	0.8
223.13313	1.3
229.14244	0.9
251.16533	0.7
267.15884	6.0
268.72226	0.5
269.17474	21.7
270.17868	1.1
275.20032	2.2
281.17477	20.2
282.17816	1.1
291.19379	0.7
293.21249	1.6
313.27249	1.5
335.26038	0.9
347.22089	0.5
358.06995	0.5
367.24829	1.5
457.29434	0.7
475.30566	100.0
476.30966	9.4
541.35321	1.6
559.36383	4.6
560.36987	0.6
619.34363	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	834.54
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	25.5
63.27147	9.7
67.05521	62.4
69.07063	24.9
69.13698	23.7
69.14095	49.9
71.08644	29.6
71.90720	10.2
73.29847	9.1
75.43154	8.6
79.05500	30.5
81.07064	59.5
83.08616	11.5
85.10213	19.0
91.05493	15.8
93.07047	32.9
93.97119	10.7
95.08624	58.2
105.07015	19.1
107.08619	14.5
109.10185	43.1
121.10154	14.7
131.08549	9.7
135.11694	20.6
239.23674	13.3
261.22253	23.3
313.27466	100.0
320.87555	10.9
335.25793	60.4
461.98013	10.5
573.48590	14.6
672.51343	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	834.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03968	2.2
67.05511	50.5
69.03432	3.9
69.07077	16.8
71.04993	8.2
71.08638	28.9
75.81429	1.5
79.05501	22.9
81.03428	8.1
81.07063	49.4
83.04994	6.6
83.08630	19.5
85.02924	2.3
85.06541	2.6
85.10188	17.1
86.09714	4.6
88.91468	1.6
91.05485	20.2
93.07054	24.8
95.04977	6.1
95.08613	36.4
97.02867	2.1
97.06561	7.5
97.10184	8.7
99.08158	1.9
105.07047	13.1
107.04967	3.7
107.08601	17.4
109.06529	3.6
109.10160	29.3
111.04494	2.5
111.08095	3.1
117.07024	7.6
119.08587	10.6
121.06435	1.8
121.10143	8.2
122.93533	1.7
122.95769	1.4
123.11726	6.1
125.09656	3.8
129.05518	2.2
131.08586	9.4
133.10153	10.2
135.11716	3.2
140.77866	1.4
141.32591	1.6
143.08557	1.8
145.06387	1.6
145.10165	6.2
147.11722	5.4
149.09660	6.4
149.13287	6.0
159.11743	7.5
161.13251	1.9
163.11143	2.9
171.11665	2.5
173.11809	3.3
173.13356	1.5
177.12759	3.6
184.07352	9.0
195.13878	1.6
227.12860	4.8
229.14401	23.1
239.18011	1.6
239.23740	1.8
257.19086	4.5
267.15948	2.6
269.17584	5.9
275.20059	16.0
290.75272	1.4
313.27380	80.1
314.27716	4.7
331.22702	2.0
339.18094	3.6
349.23779	15.5
413.21664	9.4
467.37280	19.9
505.39365	3.2
507.40491	100.0
508.41028	11.2
547.43542	5.3
587.46686	23.5
588.46863	3.1
605.48114	2.0
619.49548	7.9
651.45227	9.0
753.36169	1.8
834.53174	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	835.34
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35184	1.2
68.38870	1.3
69.03432	4.8
71.04980	1.6
71.19306	2.3
79.05488	1.9
81.03435	5.1
85.02921	8.0
91.05492	2.9
91.19318	1.3
93.05756	1.5
93.07050	2.9
94.06570	3.1
95.04988	1.4
95.07352	2.0
96.08137	7.5
97.02894	3.8
99.04457	1.7
108.08124	11.5
109.02914	2.1
110.09698	8.6
119.08601	1.4
120.08118	9.6
121.10201	2.6
122.06042	16.3
122.09645	2.5
124.07635	1.9
127.03913	2.1
133.61656	1.6
134.06023	1.9
136.07590	16.9
138.05470	1.3
138.09142	14.7
143.03400	1.3
148.07582	7.1
150.09160	3.8
152.07098	2.0
153.01843	6.6
164.06961	1.5
166.08644	21.4
166.09903	2.0
189.46335	1.5
191.03429	2.0
191.50668	1.4
192.92458	1.3
201.54852	1.3
204.06519	1.5
206.17981	1.5
208.74973	1.4
209.10814	2.3
216.65485	1.4
219.03000	2.4
221.00888	3.4
225.10194	2.3
235.08748	5.1
236.09438	5.3
237.10249	26.1
237.36209	1.7
238.10788	2.2
241.05362	1.6
247.02341	1.9
248.09430	1.7
249.10231	19.9
250.10991	4.9
251.08104	2.4
251.11829	7.3
253.09740	3.3
261.10229	3.3
263.08163	3.2
263.11841	2.3
264.08899	12.7
265.09708	12.7
266.10422	1.6
267.11377	6.6
275.01852	2.8
277.09686	20.0
278.10504	8.9
279.08157	2.8
279.11258	19.2
281.09271	4.5
281.12613	2.4
282.10086	2.8
283.10828	3.5
289.09753	2.3
291.07578	2.7
291.11386	1.7
292.08441	4.2
292.12100	2.3
293.09250	46.9
293.12814	10.9
294.09735	4.0
295.10742	5.3
297.08762	2.1
297.12360	1.7
298.09802	1.6
303.01404	2.2
305.09253	15.3
306.09863	3.7
307.10767	19.4
307.13971	2.0
308.11411	2.0
309.08902	2.8
309.12390	7.0
310.12708	2.0
311.10257	3.9
312.10724	2.0
313.12009	4.3
313.36426	1.5
319.10660	2.4
323.10266	13.5
324.10947	2.7
325.11899	6.1
327.13464	3.3
333.08612	10.0
337.11862	5.2
339.03494	3.7
339.13358	12.6
340.14240	2.5
341.15356	1.9
342.12146	2.0
342.16028	2.0
351.09750	49.2
352.10211	4.3
353.11237	2.5
353.15146	3.5
354.12253	4.1
355.12988	5.1
356.13620	2.2
365.11331	4.1
366.12027	16.0
367.12741	4.4
368.13766	3.3
369.14700	2.4
370.11624	2.3
370.15781	2.3
371.12283	10.0
372.13034	2.0
382.11578	3.4
383.12311	21.0
383.16714	2.4
384.12811	2.3
384.17175	1.9
385.13797	10.1
387.15536	1.6
395.70865	1.4
396.13248	2.5
397.13895	5.4
398.14713	5.0
399.15549	2.9
411.15637	1.5
412.16644	3.5
418.17242	3.0
428.16327	4.4
430.17258	2.3
432.19446	1.5
438.14435	5.7
444.19247	1.9
446.17059	12.5
456.15625	9.4
458.17004	5.1
462.20007	2.4
476.18015	8.7
478.19925	3.4
486.16425	6.3
488.17841	6.5
490.19995	2.2
504.17184	3.6
518.19049	17.7
519.19800	10.1
520.21075	1.9
536.20288	25.8
537.20386	3.1
550.21655	18.4
551.22546	10.8
609.23334	8.0
610.24219	2.0
623.24866	4.7
640.24933	4.6
641.26062	28.4
642.26385	3.9
649.21594	1.6
680.24420	28.3
681.25189	21.7
682.25244	4.0
712.26923	5.4
713.27893	100.0
714.27863	16.0
803.30884	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	835.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75233	0.5
61.02917	1.3
65.03941	0.6
69.03431	4.8
79.05486	1.1
79.31914	0.4
80.05030	1.0
81.03415	2.2
81.05730	0.4
82.06621	0.6
85.02900	5.6
87.04486	1.0
91.05480	1.5
93.07062	2.3
94.06574	3.9
95.04991	0.7
95.07353	1.7
96.08122	5.1
97.02878	2.5
98.22538	1.1
98.52337	0.5
99.04463	0.6
99.46104	0.6
106.06589	0.7
107.07375	1.4
108.08119	9.0
109.02908	1.1
110.09681	9.6
120.04508	0.6
120.08103	7.9
122.06033	12.6
122.09715	2.4
124.07603	0.7
127.03920	1.6
134.05998	1.6
136.07579	13.6
138.05528	0.7
138.09129	11.4
148.07559	5.2
150.09149	4.3
166.08641	18.6
197.10760	0.7
207.09195	0.7
208.09976	0.6
209.10733	3.4
211.08678	0.8
221.10841	1.2
222.08047	0.8
222.11571	0.6
223.08730	1.0
223.12415	1.5
224.09554	0.6
225.10298	1.9
225.49557	0.5
235.08670	5.1
236.09422	6.0
237.10211	22.3
238.10832	1.6
239.08299	0.8
239.11702	1.1
247.08873	0.9
248.09462	0.9
249.10231	20.2
250.07509	1.3
250.10992	5.6
251.08296	1.7
251.11784	7.9
252.09015	1.3
252.12337	0.8
253.09720	3.9
255.11354	0.7
261.10178	3.4
262.10999	0.8
263.08246	3.5
263.11789	1.5
264.08969	12.7
265.09711	13.3
265.12585	0.4
266.10416	2.3
267.11313	6.4
268.11859	0.7
269.09247	1.8
275.08206	0.6
276.08997	1.1
277.09711	18.0
278.07245	1.1
278.10431	7.5
279.07770	2.2
279.11252	18.4
280.08768	0.7
280.11847	2.4
281.09299	5.1
281.12625	1.1
282.09958	1.9
283.10892	1.7
289.09845	1.4
290.10590	0.7
291.07736	3.2
291.11258	1.7
292.08481	5.0
292.11734	0.9
293.09283	41.1
293.12863	8.7
294.09906	3.2
294.13144	0.8
294.60721	0.6
295.10782	4.1
296.11307	0.8
297.08893	0.8
297.12338	1.7
298.09644	1.0
303.07828	0.6
304.08392	1.2
305.09186	13.0
306.09863	2.6
307.10773	18.0
308.11142	0.6
309.08777	3.5
309.12424	5.3
310.09396	1.1
310.12991	1.5
311.10373	4.2
311.13968	1.6
312.11096	2.1
313.11823	3.9
314.12833	0.7
319.10825	2.3
320.11398	0.6
321.08969	0.8
321.12360	1.1
322.12924	1.0
323.10248	9.6
323.13678	0.7
324.11047	2.1
325.11908	5.8
326.12823	1.6
327.13242	2.9
329.15271	0.6
333.08643	8.7
333.12323	0.7
334.09344	0.7
335.10233	1.1
337.11789	5.6
338.12640	2.1
339.09848	0.6
339.13431	13.9
340.10495	0.6
340.14304	1.4
341.15247	1.2
342.12387	1.2
342.16336	0.9
343.13062	1.5
344.14258	0.6
347.10437	0.6
351.09750	41.1
352.10248	3.5
352.14218	0.7
353.11072	2.9
353.15298	2.5
354.12448	3.0
355.12900	5.4
356.13895	1.9
357.14633	0.9
358.15524	1.2
364.14621	0.7
365.11295	4.5
366.12115	14.2
366.15878	1.1
367.12817	2.5
368.13892	3.3
369.10757	0.7
369.14481	3.0
370.11572	1.7
370.15579	1.8
371.12341	9.3
371.16565	0.8
372.13138	1.4
382.11743	1.8
382.15872	1.2
383.12366	18.8
384.12823	2.8
384.17191	1.6
385.13919	9.8
386.14792	1.8
387.15686	1.2
388.16727	0.7
390.18246	0.7
390.29276	0.6
395.13062	0.8
396.13559	1.5
397.14029	7.5
398.14392	5.2
398.19183	1.1
399.15482	3.0
400.16513	2.1
410.15002	1.8
412.16687	2.3
414.18472	0.8
415.15009	0.7
416.16064	1.0
418.17752	2.4
426.14212	0.7
428.16034	3.6
430.17850	1.6
432.19174	0.8
438.14526	4.7
440.16418	0.8
442.17477	1.2
444.19766	1.0
445.16403	0.8
446.17059	10.5
447.17453	1.2
456.15515	8.1
458.17160	3.4
460.18796	1.1
462.20190	1.5
470.17419	0.6
472.18762	0.9
474.20444	0.9
476.18073	8.2
477.18649	1.5
478.19717	4.1
486.16666	4.4
487.17572	0.6
488.18021	4.5
490.19724	3.1
492.21484	0.8
504.17868	2.0
518.19287	13.7
519.19916	10.4
520.20520	1.6
522.22162	1.2
536.20276	22.8
537.20850	2.0
550.21857	16.0
550.30194	1.1
551.22614	11.0
552.22717	0.9
591.22522	1.6
608.22272	1.3
609.23340	6.2
623.25024	3.4
624.25201	0.6
640.24896	3.7
641.26074	28.5
642.26685	3.0
648.21777	1.3
649.22321	1.8
652.25549	0.8
662.23291	1.8
680.24438	27.1
681.25128	20.4
682.25824	2.1
712.26990	4.8
713.27856	100.0
714.28107	11.8
771.28528	0.8
803.31567	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	835.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.9
62.83225	0.6
65.03922	0.6
67.05490	1.8
69.03415	1.0
69.38357	2.1
72.32530	0.4
75.79602	0.4
78.20505	0.4
79.05470	1.3
81.03426	2.0
81.07043	1.1
82.06580	0.5
85.02919	2.1
89.03890	0.9
91.05456	1.0
93.07027	1.2
94.06562	2.3
95.04964	1.1
95.07391	0.5
96.08147	2.5
97.02890	1.2
97.06488	0.5
98.23414	0.7
105.07031	0.8
106.06534	0.8
107.08545	0.5
108.08111	3.1
109.02853	0.7
109.10157	0.9
110.09664	3.1
110.30830	0.4
115.92642	0.4
116.04975	3.9
120.04427	0.9
120.08098	3.0
121.06451	0.5
122.06033	7.3
124.07605	6.1
127.03921	0.9
129.07071	0.4
133.10164	0.5
134.06035	0.9
136.07573	6.8
138.09142	4.4
139.93971	0.4
140.07054	1.2
144.04448	9.5
144.05579	0.6
145.05040	0.5
146.05978	2.0
148.07599	2.1
148.20424	0.5
150.05484	2.6
150.09161	1.0
152.07109	2.4
160.03970	0.8
162.05502	3.7
163.03912	0.4
164.07068	0.7
166.08633	7.7
168.06586	1.6
172.03934	47.4
172.07335	0.9
173.04277	1.3
174.05568	1.0
176.58948	0.4
178.08600	0.5
182.08115	2.1
182.09612	0.7
185.09187	0.6
185.10626	2.3
186.05585	0.6
190.04987	12.2
191.05482	0.5
197.08400	0.6
197.10777	0.5
198.09186	2.3
199.08580	0.8
199.12314	0.7
200.12953	0.6
201.10193	2.9
204.06560	83.4
205.06880	3.4
212.07014	0.5
212.10744	1.7
213.10135	3.5
213.13774	0.4
214.10782	1.0
215.11716	2.1
218.08061	0.5
223.08632	0.7
225.10237	2.6
226.10880	1.1
227.08128	3.3
227.11832	1.6
228.08861	0.5
228.12584	1.3
229.09818	2.4
229.13341	1.5
239.11754	1.1
240.10399	0.9
241.09677	6.3
241.13277	2.9
242.10469	11.3
243.11195	4.5
244.12019	1.5
247.10988	0.5
251.11842	1.0
255.11296	2.5
256.12061	9.3
257.10345	0.7
257.12848	10.2
258.11218	1.4
258.13562	1.7
264.08691	0.6
267.11261	1.6
269.09213	0.7
271.14252	0.7
272.12900	1.3
274.13837	0.7
279.11133	1.9
281.12988	0.6
284.11551	6.1
285.12442	2.8
286.12805	0.5
287.10205	1.6
289.15469	4.8
297.12296	2.1
299.13730	0.5
301.11584	0.7
302.12662	3.5
303.13431	0.6
307.10800	1.2
315.13483	1.5
316.14297	0.7
317.14957	100.0
318.15320	6.0
325.11807	15.1
326.12146	0.8
329.11276	1.4
329.14825	0.9
334.09207	0.8
339.13434	1.5
341.14804	0.5
343.12897	3.2
344.13330	0.6
357.14438	19.5
358.14691	0.8
366.53372	0.4
369.14761	0.5
405.13779	0.5
413.17947	0.9
420.19501	0.5
432.19077	0.5
458.16772	0.6
459.26984	0.5
469.15918	0.6
476.18066	1.6
477.28732	0.7
487.17102	8.1
488.18323	2.0
508.20657	1.4
519.19659	1.2
575.23071	0.6
597.26752	1.6
609.23425	1.4
623.25024	0.8
641.26099	10.8
642.26703	0.8
663.28876	0.8
673.29590	0.6
759.32562	1.1
803.31104	3.2
835.39117	8.3
836.39691	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	836.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74973	1.0
61.97026	0.8
69.03423	3.5
71.04980	1.8
79.01867	1.3
79.05511	1.2
81.03419	31.1
85.02905	2.0
89.03927	1.5
91.05466	1.9
97.02904	2.3
99.04473	3.0
107.04965	1.9
109.02880	16.2
119.04964	1.1
120.84927	0.9
121.02908	1.2
127.03920	46.5
133.02875	1.3
135.04440	2.7
137.02315	1.8
145.02846	1.7
147.04451	6.7
153.01860	5.8
157.02814	1.2
161.02234	2.2
163.03899	16.5
165.01831	4.3
165.05429	1.2
169.92152	1.0
173.02361	2.9
175.02600	0.9
175.03865	5.2
177.01817	4.5
179.03384	4.0
181.01344	2.5
181.04930	1.3
185.02251	1.1
185.44627	1.1
187.03880	1.4
187.96112	1.0
189.01811	6.3
191.03398	38.0
192.03574	1.0
193.01321	8.7
193.04976	1.9
195.02869	1.5
201.01831	10.6
203.03400	11.0
205.01279	4.4
205.05016	1.0
207.02924	7.5
213.01848	1.3
215.03357	1.5
217.01334	11.9
219.02885	42.0
220.03331	1.5
221.00813	49.2
221.04254	1.9
222.01172	1.8
223.02406	3.5
229.01413	2.7
229.55508	1.3
231.02870	13.2
233.00809	19.0
235.02362	12.5
239.01877	17.1
245.00867	8.1
247.02382	39.1
248.02612	1.4
249.04005	2.9
257.00885	5.3
259.02405	16.6
263.01910	3.6
265.03436	4.7
273.00360	9.9
275.01855	70.9
276.02271	3.4
277.03372	13.9
285.00348	2.2
291.01288	3.0
293.02896	8.5
300.99835	4.5
303.01349	25.1
319.00851	22.9
321.02380	16.6
322.02734	1.2
337.01938	3.5
339.03476	100.0
340.03830	3.5
361.01843	2.8
399.87665	1.0
429.04379	1.2
445.04132	5.4
447.05447	4.7
463.04907	2.6
465.06485	3.6
483.07706	2.2
737.06335	1.1
765.04498	3.1
783.06671	22.7
784.06494	2.7
801.07751	16.9
802.08014	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	836.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48552	1.0
60.72341	1.0
63.16414	0.9
69.03439	4.1
69.27331	3.8
69.27737	2.0
71.01360	0.9
71.04993	2.1
75.66181	1.1
79.05479	1.6
81.03422	29.4
82.03782	1.1
83.01334	1.5
85.02900	1.3
91.05498	1.8
97.02917	2.0
98.22613	2.1
99.04453	2.7
103.05488	1.2
109.02878	18.7
111.30547	1.0
117.03388	1.2
119.04979	1.7
119.88831	1.0
127.03923	41.8
128.04332	1.1
131.04950	1.1
133.02824	1.9
135.04428	2.5
137.02373	2.8
145.02873	2.3
147.04399	7.7
149.02385	2.0
153.01830	10.3
153.02959	1.5
157.02844	1.6
161.02359	4.2
163.03903	16.0
165.01880	5.6
165.05495	1.0
173.02330	2.5
175.03928	5.4
177.01782	4.7
179.03418	4.5
187.03917	1.2
189.01807	6.3
190.02620	1.2
191.03398	37.2
192.03705	1.9
193.01328	13.3
193.04999	2.3
195.03101	1.2
201.01860	8.9
203.03378	11.9
205.01317	6.3
207.02898	9.1
213.01793	1.4
215.03484	1.3
217.01317	13.6
219.02904	41.2
220.03287	1.9
221.00821	64.1
222.01172	2.2
223.02440	4.2
229.01344	3.5
231.02884	14.4
233.00838	16.5
235.02324	13.9
237.03986	1.1
239.01897	18.9
245.00797	8.0
247.02399	39.7
248.02824	1.4
249.04028	4.0
257.00781	6.2
259.02396	15.5
263.01794	4.8
265.03482	3.2
273.00314	8.5
275.01868	64.2
276.02255	3.5
277.03482	15.2
285.00336	2.8
291.01373	3.9
293.02875	9.3
300.99719	6.5
303.01349	24.1
303.04590	1.6
304.01859	1.3
319.00861	30.3
320.01205	2.3
321.02414	19.1
337.01880	6.3
338.02176	1.2
339.03476	100.0
340.03839	5.9
361.02115	1.5
401.05035	1.7
429.04669	1.7
445.04111	7.4
447.05435	4.5
463.05096	3.7
465.06601	3.4
483.07645	1.3
765.04962	3.9
783.06677	25.1
784.06512	2.8
801.07611	8.3
836.96118	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	836.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86409	1.1
65.03928	2.8
67.05508	35.2
69.03441	6.2
69.07069	33.4
69.07359	0.7
74.84550	1.0
78.01590	1.0
79.05495	34.3
80.79597	1.0
81.03432	7.4
81.07059	42.8
83.04993	8.0
83.08619	7.9
85.06557	1.2
91.05486	41.0
93.07043	29.6
95.01333	4.6
95.04981	10.2
95.08606	22.4
97.02915	5.5
97.06533	26.6
97.10174	7.2
99.20290	1.1
103.05491	1.2
105.07034	54.2
106.07430	1.4
107.04954	14.7
107.08595	18.7
109.06505	6.5
109.10162	7.9
111.08076	2.4
117.07016	11.0
119.04903	1.1
119.08582	27.8
121.06509	3.9
121.10133	6.8
123.04464	2.1
123.08083	4.9
123.11703	1.1
125.09649	5.2
129.07019	3.2
130.07813	1.8
131.08578	18.6
133.06508	1.7
133.10129	27.3
135.08069	5.6
135.11694	4.8
137.09625	2.6
139.07529	1.9
141.06967	1.8
142.07782	1.3
143.08568	3.8
145.06445	2.5
145.10147	11.5
147.08035	2.7
147.11700	9.7
149.09669	5.4
149.13226	3.1
151.11198	2.7
155.08488	1.8
157.10129	3.7
159.11684	7.8
160.12018	1.3
161.09622	2.2
161.11996	1.3
161.13321	2.9
163.11186	4.2
163.14804	1.4
165.09172	2.6
171.11665	2.6
173.13303	3.0
175.11227	3.6
177.12755	2.8
179.14302	9.8
184.07323	1.3
187.11151	1.9
187.14783	1.5
189.11197	1.4
189.12810	1.5
205.12425	1.3
223.13266	9.5
227.12804	5.0
245.19096	1.5
247.20602	1.8
249.14810	2.3
253.14259	1.9
257.19006	5.6
273.18564	12.1
275.20078	67.2
276.20435	4.5
279.16022	1.3
291.19553	55.1
292.19937	2.3
293.21143	5.0
347.22125	3.3
349.23749	27.0
350.24194	1.1
365.23212	38.7
366.23489	2.2
541.35284	4.2
543.36853	1.6
545.34052	1.7
621.41333	2.8
639.42548	100.0
640.42682	14.6
650.58112	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	836.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22678	1.0
65.03946	4.0
67.05509	59.9
69.03426	4.1
69.07072	28.9
77.03941	1.6
79.05498	49.9
81.03428	12.1
81.07062	80.2
82.07386	1.5
83.04992	11.6
83.08623	12.0
85.02911	1.4
85.06559	3.6
91.05486	86.0
92.05817	2.3
93.07050	47.6
93.07636	2.4
95.01340	9.3
95.04981	15.3
95.08614	35.3
97.02917	2.1
97.06535	28.9
97.10174	3.2
99.04470	1.9
103.05486	4.4
105.04529	1.7
105.07038	100.0
106.07380	1.5
107.04957	21.7
107.08604	30.0
107.09293	2.2
109.02921	1.1
109.06525	12.6
109.10167	31.5
110.06879	1.3
111.04465	1.6
111.08092	3.6
113.05974	1.1
113.09643	1.2
115.05481	1.8
117.07024	18.7
119.08590	36.5
119.09459	1.8
120.08930	1.5
121.06523	8.3
121.10147	10.9
123.04437	2.2
123.08090	7.1
123.11741	7.6
125.09640	2.9
127.07535	1.5
128.06142	1.4
129.07039	5.1
130.07819	1.8
131.08575	24.4
131.09517	2.0
133.06499	5.7
133.10136	63.8
134.10490	2.3
135.08044	9.1
135.11729	7.7
137.09668	3.3
139.07565	1.7
141.07008	2.7
143.08557	8.1
145.06508	2.0
145.10139	19.0
147.08057	3.2
147.11703	14.6
149.09625	11.3
149.13277	2.4
151.11192	14.0
152.49374	1.4
155.08600	1.4
157.10138	5.0
159.08083	2.1
159.11690	11.1
161.09630	3.4
161.13297	4.5
163.11203	6.7
165.09055	2.9
165.12709	1.9
169.10165	3.4
169.12242	2.3
171.11687	4.3
173.09648	1.8
173.13277	3.9
175.11171	2.9
177.09135	1.5
177.12714	3.2
179.14296	11.1
183.11697	2.1
184.07463	1.4
187.11263	3.4
187.14909	1.4
189.12810	2.1
193.12209	1.4
205.12254	1.3
219.17493	2.1
221.57352	1.1
223.13338	2.5
227.12689	1.2
229.19601	1.5
239.17937	1.7
245.19067	2.0
247.20618	1.5
251.12842	3.3
253.14352	56.8
254.14667	2.6
255.17494	1.5
256.49924	1.1
257.19073	4.3
263.20068	2.0
273.18515	19.5
275.20084	70.6
276.20508	3.6
282.22458	1.2
291.19547	23.4
293.21188	3.9
309.20432	1.3
331.22409	1.4
347.22137	10.6
349.23758	33.7
350.23953	2.4
365.23239	28.6
366.23456	1.3
527.33649	1.7
545.34857	6.2
550.39679	1.3
621.41522	11.1
639.42560	64.8
640.42773	7.8
657.43719	2.4
790.69824	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	836.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01508	1.3
65.03946	2.8
67.05508	38.7
69.03448	6.2
69.07072	35.2
77.03912	1.6
79.05498	33.7
80.05826	1.2
81.03439	7.2
81.07061	47.6
82.07401	1.3
83.04990	5.8
83.08618	13.8
91.05485	41.4
93.07045	25.9
95.01316	6.8
95.04977	10.3
95.08612	23.1
97.02906	7.2
97.06539	26.1
97.10175	8.4
105.07037	51.8
107.04962	17.6
107.08595	15.9
109.06525	6.4
109.10153	7.5
111.08106	3.0
115.05486	2.6
117.07014	14.8
119.04965	1.8
119.08581	27.4
120.08909	1.6
121.06520	4.1
121.10170	6.7
123.04451	2.2
123.08058	4.3
123.11745	1.5
125.09630	7.2
129.06998	3.8
130.07788	1.6
131.08588	17.5
132.08038	1.2
132.08904	1.4
133.06540	2.6
133.10135	27.4
134.10564	1.3
135.08058	4.6
135.11691	4.7
137.09645	3.7
142.65630	1.1
143.08580	4.2
145.06438	1.6
145.10144	11.6
147.08075	3.5
147.11716	12.1
149.09650	6.9
149.13272	4.9
151.11224	1.2
157.10132	3.2
159.08102	1.6
159.11702	7.4
161.09618	3.2
161.13292	5.4
161.44524	1.1
163.11185	3.0
165.09134	2.3
169.10165	2.5
171.11685	1.8
173.13307	3.1
175.11183	2.1
177.12735	3.6
179.14299	10.6
183.11699	2.6
184.07359	1.3
187.11168	2.4
189.11156	3.1
189.12714	1.3
193.12192	1.5
205.12161	1.7
223.13318	11.3
227.12799	3.5
247.20647	2.2
249.14935	2.9
253.14230	2.1
257.19052	2.9
267.16135	1.2
273.18552	11.6
275.20090	65.5
276.20383	4.2
279.15955	1.9
291.19559	53.6
292.19904	2.7
293.21066	5.4
325.92270	1.4
347.22104	3.7
349.23776	32.6
350.24106	1.5
356.55008	1.3
365.23245	40.8
366.23776	2.3
387.20596	1.4
434.29559	1.3
541.35229	4.1
613.66699	1.4
621.41168	2.8
639.42566	100.0
640.42847	14.4
657.43011	1.9
677.88391	1.3
726.26892	1.3
786.21704	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	837.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01603	0.3
63.02399	1.1
65.03938	0.4
69.03436	1.2
71.30883	0.5
73.34084	0.3
77.19427	0.2
78.04731	0.3
81.03414	2.4
85.02900	0.7
87.04452	0.3
89.03921	12.1
91.05482	4.0
95.04997	0.6
97.02905	0.3
103.05462	0.8
105.03410	0.5
105.07066	0.4
106.04177	0.7
108.67622	0.3
109.02917	0.7
111.00816	0.3
117.03385	32.3
118.03720	0.9
119.04954	5.5
121.02890	0.4
121.06533	0.7
123.04449	0.3
124.05210	0.6
127.03928	0.6
128.13101	0.3
131.04993	0.5
133.02888	1.7
133.06517	0.4
134.03653	2.0
135.04443	2.5
137.02354	1.1
137.05984	4.6
145.02850	69.4
146.03194	2.3
147.04402	4.4
149.05983	11.2
150.06685	0.5
151.03860	0.4
151.07544	2.3
153.01823	1.7
158.03566	0.3
158.06058	0.4
161.05995	2.2
162.03101	0.4
162.06770	1.8
163.03918	0.8
163.07587	0.5
165.01845	0.8
165.05481	0.7
165.86227	0.3
168.67787	0.3
173.05977	0.4
175.03908	3.2
177.05475	100.0
178.05804	3.4
179.07025	7.1
180.07751	1.0
186.05481	1.2
189.05463	0.5
193.05034	0.6
198.78674	0.3
201.05482	6.6
213.05444	0.6
219.06482	0.6
229.04964	2.2
231.06560	1.0
249.07648	0.3
250.63957	0.3
257.04376	1.1
265.08670	0.6
274.04688	0.3
277.08673	0.4
285.03906	0.4
293.08191	0.7
303.04996	31.7
304.05310	1.6
305.08084	1.8
321.09668	2.2
323.09329	0.6
325.07101	0.4
325.10684	4.1
337.10703	3.1
339.10681	1.0
341.10214	0.4
355.11771	4.7
356.11819	0.5
373.12753	2.7
446.90656	0.3
450.55536	0.3
487.15790	0.5
499.15686	0.7
517.16815	0.5
535.18054	2.2
536.17828	0.4
644.07056	0.3
675.16217	0.4
705.22552	0.3
837.23560	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	837.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02369	1.9
65.03935	7.8
67.05505	4.9
69.03419	2.0
71.01373	1.5
74.56477	1.5
77.03923	1.9
78.04727	2.3
79.05505	6.8
81.03422	5.3
82.04205	3.4
85.02905	3.4
89.03931	5.6
91.05489	11.7
93.03439	2.2
93.07040	2.3
95.04978	7.0
97.06544	2.8
99.04469	1.5
103.05455	17.1
105.03432	2.1
105.07037	5.0
106.04175	3.4
107.04951	11.8
108.02071	1.5
109.02885	10.4
109.06511	2.5
110.03680	3.6
111.04460	2.7
115.05474	5.5
117.03387	16.0
117.07009	6.4
118.04160	4.9
119.04942	7.1
121.06521	15.0
122.03663	2.7
123.04450	6.4
124.05164	2.5
125.05978	4.6
127.03909	11.5
130.04167	2.7
131.04918	16.0
132.05670	2.7
133.02853	6.8
133.06493	5.2
135.04405	4.8
137.05980	12.0
138.03107	2.4
142.02614	2.6
145.02855	46.0
145.06505	11.4
146.03609	1.8
147.04431	10.9
147.08083	2.3
148.05251	9.6
149.05992	14.9
151.03925	31.3
151.05023	3.2
151.07561	4.8
153.05463	7.4
154.06192	1.6
155.06033	2.9
155.07144	1.6
159.04433	2.3
159.58702	1.7
160.05231	2.6
161.05986	9.0
163.07524	14.9
165.05504	11.5
165.06863	2.7
167.07048	48.1
169.04968	2.1
171.04514	2.2
171.06514	4.4
173.06003	16.1
175.07552	1.6
177.05478	100.0
178.06091	2.0
179.07025	4.1
180.07756	2.6
181.04958	94.1
182.05353	3.1
187.03899	2.0
187.05992	1.4
189.05458	2.0
191.07031	40.7
192.07727	6.6
193.04970	4.6
193.08601	2.9
195.06540	6.3
201.05576	2.8
203.07025	5.7
205.08597	6.2
207.06526	7.8
208.07291	2.3
209.08076	7.8
213.05470	1.8
217.08675	2.2
219.06494	2.5
220.07346	2.1
225.07530	13.0
231.06476	2.1
233.08081	10.8
234.08807	1.6
235.07520	2.7
235.09598	7.1
237.09135	1.9
239.07204	1.7
244.58121	1.5
251.07089	2.0
263.09293	2.5
265.08636	2.8
267.10016	2.4
277.08627	1.8
280.07275	1.9
281.08304	1.8
293.08047	2.4
295.09586	2.2
297.11087	1.7
303.08612	17.2
317.06705	2.0
317.10184	3.4
323.08997	3.2
325.10934	2.4
329.10144	3.3
337.01419	1.7
337.10876	2.2
343.11679	4.2
353.10254	3.0
355.11688	4.5
357.13324	4.0
371.11197	3.8
375.10638	4.6
383.11328	3.3
385.12793	16.1
386.13065	2.7
387.14377	4.3
397.12762	4.3
415.13818	7.2
416.14459	6.0
417.15411	9.2
506.18027	2.4
515.15350	4.2
551.18829	2.8
581.20001	2.9
611.21307	13.3
641.22241	20.6
642.23358	2.6
656.24280	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	837.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26814	6.1
69.03436	7.7
70.06591	8.2
71.29623	6.0
79.05495	9.5
81.03429	14.1
91.05495	14.8
93.07052	16.2
94.06583	6.9
95.04992	7.2
96.08112	9.1
105.07011	8.5
108.08131	16.5
109.02922	7.8
110.09672	9.0
119.28049	7.4
120.08100	16.0
121.10150	30.1
121.90474	7.4
122.06052	10.1
122.10484	10.3
127.03934	13.3
136.07605	28.7
138.09161	28.2
146.06041	10.1
149.09601	10.0
152.07043	8.0
153.01865	40.3
153.02937	7.3
154.02164	12.1
166.08649	45.2
172.03954	27.7
177.05557	7.7
190.05086	14.2
204.06569	30.9
225.10440	8.7
227.11739	10.1
237.10382	9.2
241.09755	10.0
251.11946	7.9
253.09634	10.3
263.11935	10.7
265.09738	15.9
267.11215	20.1
269.12799	15.8
271.10730	14.1
275.01923	8.2
279.11154	17.5
280.11801	8.2
283.10837	10.1
287.13916	8.2
289.09662	8.0
295.10757	11.3
303.01367	8.2
309.12228	10.4
315.13367	32.9
323.10208	8.8
325.11810	14.2
327.13531	12.1
335.10336	12.2
337.11432	8.2
339.13486	25.6
355.12991	14.3
357.14404	24.9
367.12891	18.6
398.14890	14.9
399.15762	21.2
416.16013	19.6
458.17212	23.0
487.17142	7.6
490.19800	10.1
611.24982	100.0
612.24646	9.6
642.26221	16.4
643.27081	21.2
650.23212	23.1
682.26202	96.4
683.26508	38.1
714.28339	15.5
715.29150	17.5
773.30347	30.8
805.32593	9.5
837.41614	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.5
69.18508	5.2
72.21502	0.7
73.02914	1.2
81.03436	1.5
85.02911	3.7
88.40228	0.7
89.87948	0.7
91.05479	1.3
93.07047	1.5
94.06588	2.4
95.04993	0.9
96.08146	1.8
97.02917	2.0
103.05459	0.7
107.07297	0.9
108.08112	4.8
110.09668	4.2
116.74051	0.7
120.04479	1.6
120.08096	3.9
121.06502	1.3
122.06039	4.3
122.09708	2.4
124.07584	0.9
127.03909	1.0
136.07576	6.1
138.09119	6.8
146.06056	1.2
148.07581	5.2
150.09154	4.7
152.07109	1.4
164.07147	0.8
166.08647	13.5
166.09900	1.1
172.04008	2.3
177.05490	1.8
190.05060	2.2
194.08206	1.7
196.09952	1.2
204.06621	1.8
209.10884	0.9
211.12375	1.3
225.10309	3.0
227.11855	2.7
233.10770	1.1
235.08603	1.7
236.09402	0.9
237.10228	6.5
238.11024	2.1
239.11832	2.8
241.09579	1.0
248.09375	1.5
249.10233	4.8
250.10985	1.7
251.08116	2.1
251.11853	5.9
252.09134	0.8
252.12538	1.5
253.09682	4.1
255.11378	2.5
261.10233	3.9
262.10962	1.6
263.11792	4.4
264.12506	1.2
265.09775	8.8
266.10419	1.8
267.11298	4.9
269.12796	1.6
271.10773	1.1
273.12454	1.3
277.09833	3.4
278.07040	0.8
278.10571	4.7
279.07831	2.8
279.11368	11.3
280.12021	1.8
281.09253	2.3
281.12659	1.7
283.10904	4.0
284.11478	0.9
287.13904	1.2
289.09714	7.8
290.10098	0.8
291.11331	4.0
292.12082	1.3
293.09283	3.5
293.12906	4.0
294.09988	3.8
295.10876	3.2
296.11685	1.7
297.12335	2.6
299.10373	1.7
299.13818	0.7
307.10858	2.6
309.12198	3.8
311.10315	5.2
311.13885	1.7
312.11090	2.4
313.11859	2.0
314.12650	1.4
315.13702	1.8
316.14471	1.0
317.09354	1.7
323.10428	1.3
323.13895	1.5
324.11176	2.1
325.11847	4.6
326.12671	2.0
327.13513	4.7
335.10281	13.6
336.10803	1.4
337.11670	1.8
339.13422	30.8
340.10355	1.4
340.13940	3.3
341.11453	3.1
341.15244	1.2
344.13803	0.8
349.49808	0.8
353.11346	7.7
354.11969	4.1
354.16055	0.9
355.12888	11.6
355.16959	0.7
356.13544	1.3
357.14600	2.2
367.12891	29.0
368.13409	2.4
398.14993	1.1
399.15942	2.1
416.16321	1.4
418.17789	1.0
432.19449	0.9
435.77917	0.9
458.17157	1.3
460.18793	3.3
470.17444	0.9
478.19901	1.4
488.18140	11.5
489.18555	0.9
492.21310	1.7
504.88629	0.9
506.19278	7.5
507.19641	1.4
520.20831	13.1
521.21674	1.3
534.19427	1.0
552.23401	4.3
611.24829	6.7
650.23401	9.7
651.23651	1.4
654.27081	0.9
682.26074	100.0
683.26447	14.8
714.28845	7.8
715.28918	1.5
773.29858	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	837.355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.0
62.32294	0.9
67.05502	1.0
69.03440	3.3
69.54501	4.0
70.06585	1.0
73.02908	1.1
81.03432	3.7
82.06628	1.0
85.02914	3.1
89.03905	1.7
91.05486	1.8
93.52432	0.9
94.06580	2.1
95.05022	0.9
95.07422	1.0
96.08126	1.5
97.02921	1.8
107.07380	1.2
108.08115	4.1
109.02907	1.7
110.09712	3.6
113.11932	0.9
114.76704	1.0
117.03373	5.4
120.08127	3.7
122.06051	3.4
122.09673	3.6
124.07567	0.9
127.03947	2.9
127.41438	0.8
127.69259	0.8
136.07600	5.4
137.05981	1.3
138.09105	5.9
145.02847	12.5
146.06032	1.9
148.07584	3.0
149.06013	2.1
150.09145	3.9
152.07173	2.1
153.01834	2.1
162.05603	1.6
165.07803	1.3
166.08641	11.4
172.03920	7.5
175.03914	1.6
177.05469	20.7
179.07007	1.3
180.10284	1.5
188.03450	2.6
190.04997	2.1
191.03444	1.8
194.08209	1.6
197.10736	1.1
204.06557	12.9
212.09265	1.3
219.02960	1.6
219.15616	0.9
221.00919	2.4
223.12436	1.1
225.10283	3.0
226.10878	1.4
227.11806	2.2
235.08809	1.1
237.10260	5.8
238.10977	1.3
239.11836	3.0
241.09740	1.5
241.13431	2.9
245.12912	1.2
247.02441	1.0
248.09410	1.2
249.10268	2.6
250.10976	1.7
251.08199	2.4
251.11858	2.9
253.09770	3.7
255.11369	1.9
259.02280	1.0
261.10223	2.1
263.11780	2.8
265.09717	7.2
267.11295	6.2
269.12903	2.3
271.10864	3.4
273.12286	1.2
275.01962	1.8
276.02225	1.1
277.09830	2.7
277.13467	1.3
278.10437	2.3
279.07758	2.7
279.11298	8.4
280.11935	1.9
281.09259	2.8
281.12900	2.0
282.10052	1.4
283.10672	4.4
285.12262	4.4
287.13922	4.2
289.09711	2.8
291.11172	2.1
293.09213	2.9
293.12830	4.3
294.09912	3.3
295.10745	3.0
295.14133	1.1
296.11627	1.3
297.12350	3.6
299.13864	1.2
303.01703	1.2
303.04980	4.5
306.10016	1.2
307.10577	2.0
309.12378	2.3
311.10309	2.7
311.13766	1.5
312.11090	2.1
313.11700	2.4
314.12482	2.4
323.10257	1.5
324.10895	1.8
325.11749	6.1
326.12646	2.3
327.13284	6.6
335.10184	4.9
337.11624	2.2
339.03555	3.0
339.13434	27.3
340.13977	2.3
341.15048	1.5
353.11343	2.9
354.12167	2.8
355.12875	10.3
356.13806	1.7
357.14548	6.4
367.12900	16.2
371.12085	1.5
371.16400	1.5
386.14627	2.0
387.15546	2.3
398.15012	2.1
399.15729	7.8
400.16351	1.6
404.16312	1.2
416.16080	3.0
428.15796	1.3
442.17706	1.3
458.17264	2.4
460.18381	2.6
465.19577	1.0
474.20947	1.2
478.19415	1.3
488.17984	2.0
490.19693	1.7
492.21271	2.2
495.88190	1.1
502.19351	1.2
520.20709	8.1
552.14764	1.9
552.23376	27.5
553.23755	3.0
611.25006	11.6
612.24921	1.5
643.27795	5.3
682.25952	7.9
683.26447	1.3
714.28668	100.0
715.29022	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	837.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22958	1.5
67.05506	5.0
67.93549	1.5
69.03424	6.2
71.04982	1.9
77.20495	1.7
78.31346	1.4
79.05485	3.7
81.03410	6.7
81.07078	5.1
85.02910	6.1
91.05486	4.6
92.59647	1.5
93.07049	5.6
94.06602	3.9
95.04996	2.3
95.07369	3.2
96.08150	7.9
97.02898	2.8
97.06542	1.5
105.07049	1.8
107.07360	2.4
108.08133	15.6
109.02883	5.8
110.09693	15.1
120.08095	14.9
121.06519	3.1
122.06031	9.8
122.09679	4.6
124.07636	1.8
127.03956	2.5
133.10170	1.8
136.07582	20.8
137.08441	1.6
138.09140	24.8
145.10185	2.0
146.09689	2.4
147.11635	1.8
148.07570	7.4
150.09134	9.7
151.50983	1.4
152.07085	2.5
156.63232	1.5
164.07047	5.2
166.08646	34.8
168.69243	1.7
182.08083	1.8
204.06592	4.0
222.11557	3.4
223.08722	1.9
223.12335	4.2
224.12962	1.8
225.10359	1.6
235.08665	7.6
235.12213	2.7
236.09273	4.4
237.10216	16.5
237.13863	2.0
238.11024	6.2
239.11900	10.1
247.08698	5.3
248.09526	7.8
249.10239	24.5
250.11002	25.9
251.11781	27.9
252.12506	4.9
253.09801	3.5
259.53418	1.4
261.10190	13.1
261.36758	1.7
262.10953	10.0
263.11804	64.5
264.08926	5.6
264.12424	6.3
265.09814	9.8
265.13281	11.8
266.10422	2.9
267.11316	5.7
269.13007	1.6
276.08789	2.1
277.09692	14.6
278.10443	6.3
279.11285	45.3
280.11749	5.9
281.12918	15.0
282.10059	8.1
282.12878	2.1
283.10971	2.7
283.14365	3.0
289.09650	8.8
290.10419	1.8
291.11316	28.0
292.11813	4.9
293.09717	2.3
293.12897	10.2
294.09930	2.4
295.10818	9.9
295.14120	2.6
296.11542	5.4
297.12305	8.6
307.10818	20.3
308.11667	1.9
309.12292	39.1
310.12961	4.8
311.13943	7.6
317.09415	2.9
318.10037	1.9
319.10779	12.4
321.12311	3.2
323.10205	6.4
323.13916	9.0
325.11801	9.1
328.14316	5.5
329.15250	1.9
333.12180	1.9
335.10312	15.1
336.10986	10.7
337.11829	42.7
338.12582	2.9
339.13342	3.1
340.14197	2.6
341.15341	2.5
342.16110	5.6
349.11935	1.8
351.13425	4.3
355.12897	31.0
356.13739	3.6
356.17560	3.9
357.10022	1.2
357.14435	29.4
358.15128	3.2
367.12918	31.0
368.13641	14.8
369.14511	28.4
370.15378	8.4
371.16095	2.3
385.17682	2.2
386.18927	2.3
387.15314	4.7
389.17334	2.4
399.15613	2.7
402.17758	1.9
403.18848	6.8
404.19672	2.3
414.18231	3.4
429.16492	2.3
430.17709	3.5
442.17703	2.9
444.19125	5.6
445.19696	2.1
458.16440	2.2
460.18576	6.6
460.27563	2.0
470.17142	2.8
472.18781	5.0
477.28436	4.4
478.19720	3.2
478.28964	6.4
488.18100	12.7
489.18826	4.2
490.19791	27.2
491.19797	1.8
492.21069	4.8
502.19623	9.0
504.21152	12.6
520.20807	87.8
521.21381	31.0
522.22345	100.0
523.22778	11.2
536.24109	3.5
552.23413	27.1
553.23639	3.0
583.35498	1.6
611.24976	17.3
612.24384	1.8
625.26044	4.7
643.27600	30.8
644.27679	4.6
650.23364	9.1
651.23615	3.2
652.24829	9.5
682.26080	26.7
683.26752	10.5
684.27704	16.2
685.27661	3.4
714.28693	55.6
715.29144	8.6
773.30115	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	837.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	0.8
65.03937	2.6
67.05508	25.2
68.05835	1.0
69.03421	2.5
69.07073	10.3
71.04996	2.6
75.27391	0.7
79.05495	39.4
80.05769	0.7
81.03421	5.1
81.07059	100.0
82.07401	2.8
83.04990	5.1
83.08614	6.2
85.02914	3.3
85.06552	1.3
91.05483	21.3
93.07040	19.3
95.04967	10.0
95.08610	15.6
96.08955	0.8
97.02908	1.2
97.06532	4.1
97.10175	5.3
98.22617	1.4
99.04435	0.7
99.08145	0.9
103.05484	0.8
105.04516	0.8
105.07032	19.5
107.04957	8.7
107.08607	10.4
109.06519	43.8
109.10149	5.9
111.04435	6.0
111.08108	3.2
115.05447	0.7
117.07019	9.4
119.04962	1.3
119.08582	21.7
120.08910	1.0
121.06518	6.7
121.10143	9.7
123.08075	4.9
123.11729	3.2
125.06047	0.7
125.09638	3.9
128.06223	1.2
129.07004	4.3
130.07800	0.7
131.08569	9.8
133.06509	2.0
133.10118	7.9
134.10468	0.9
135.08046	4.1
135.11684	4.9
137.09644	3.0
137.13303	0.7
142.07840	0.8
143.08583	2.8
145.06535	1.5
145.10127	11.3
147.08035	7.7
147.11671	8.7
149.09619	7.2
149.13300	2.2
153.12708	1.7
155.08626	1.3
157.10110	4.0
159.08099	1.1
159.11711	5.0
161.09648	7.2
161.13232	0.9
163.11171	7.4
163.14854	1.5
165.09196	1.8
165.12764	2.0
167.72519	0.7
169.10190	0.9
171.08226	0.7
171.11710	2.3
173.09659	2.0
173.13286	2.3
175.11227	2.1
177.12750	1.5
181.12303	2.2
183.10197	1.0
183.11700	1.4
185.13313	1.9
189.11261	1.2
191.10703	1.6
193.12321	0.7
199.11296	1.0
211.14966	0.7
213.16461	1.3
213.85828	0.8
215.17813	0.7
223.13289	1.8
227.12834	1.5
229.14587	0.8
239.18076	0.9
245.18964	1.1
247.20586	1.7
249.14861	2.2
251.18985	0.7
255.17451	1.6
257.19028	2.4
267.15912	1.1
273.18497	16.4
275.20087	23.7
276.20444	1.9
283.15237	0.7
291.19543	57.7
292.19830	3.8
293.21042	3.8
309.20416	1.4
347.22092	8.5
349.23758	13.2
350.24347	1.3
359.79276	0.8
365.23224	15.1
367.24835	13.8
368.25104	1.0
621.41541	4.0
622.42285	1.1
639.42529	13.6
640.42786	2.7
657.43555	14.3
658.43726	2.4
837.46021	6.4
838.46338	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	837.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	1.1
59.52143	1.0
65.03939	2.2
67.05505	27.7
69.03422	3.0
69.07067	10.7
70.06631	0.7
71.05003	4.8
72.86374	0.9
74.62408	0.8
79.05493	47.0
81.03417	5.7
81.07057	100.0
82.07394	2.1
83.04984	9.3
83.08621	17.7
85.02924	4.5
85.06561	1.8
91.05482	23.8
93.03346	1.0
93.07047	25.7
94.07365	1.2
95.04367	1.7
95.04967	23.5
95.08600	12.8
97.02888	1.1
97.06525	5.9
97.10177	9.0
98.22589	1.4
99.04467	3.0
99.08081	1.6
105.04529	1.7
105.07036	22.7
107.04953	12.1
107.08594	18.7
107.09285	1.5
109.06520	53.0
109.10144	9.5
110.06865	1.2
111.04431	10.1
111.08081	5.8
115.05447	1.9
117.07020	13.5
119.04942	1.2
119.08576	27.0
121.06496	8.4
121.10161	11.9
123.08091	5.8
123.11726	2.2
125.06025	2.1
125.09624	6.7
128.06210	2.4
129.07025	6.5
130.07755	1.0
131.08578	10.7
133.06534	2.6
133.10118	9.1
135.08080	6.0
135.11681	6.5
137.09589	1.9
137.55322	0.9
139.11163	1.4
143.08545	6.2
145.06598	1.3
145.10127	15.7
147.08060	10.2
147.11694	6.4
149.09622	12.4
149.13261	1.4
151.11169	1.1
153.09097	1.6
153.12755	2.5
155.08533	1.4
157.10130	3.7
159.08112	2.1
159.11667	5.9
161.09612	8.6
161.13246	1.7
163.11186	16.6
165.09131	2.8
165.12791	2.3
169.10121	2.5
171.11714	3.2
173.09662	2.5
173.11823	1.1
173.13266	1.8
173.67766	0.8
175.11172	1.2
177.12782	1.4
181.12279	2.8
183.10213	1.4
183.11731	1.1
185.13377	2.1
187.11151	1.6
189.11255	6.3
189.12727	1.1
191.10704	1.8
205.12369	1.4
213.12752	1.2
213.16394	1.0
223.13264	14.4
227.12811	3.8
227.17918	1.3
229.14365	1.6
229.19470	1.0
231.13647	1.0
239.18002	1.6
245.18999	1.5
247.20543	1.3
249.14888	4.3
255.17523	2.7
257.18973	4.3
273.18503	28.6
274.18912	2.0
275.20068	28.2
276.20459	3.3
291.19534	78.6
292.19910	5.9
293.21146	9.2
309.20633	2.0
329.21420	1.1
347.22153	12.8
348.22415	1.0
349.23767	18.1
350.23996	1.5
363.34674	0.9
365.23248	18.3
367.24765	13.3
368.25153	1.6
457.29507	1.4
621.41333	7.2
622.41284	1.4
639.42462	18.7
640.42517	2.4
651.52899	0.9
657.43567	13.8
658.43713	2.6
807.43188	1.1
837.45856	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	838.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38280	0.8
68.99772	1.0
69.03422	4.0
70.06591	1.6
70.43179	1.0
70.61366	2.0
71.04991	3.1
77.03918	0.9
79.05489	1.7
81.03419	45.1
82.03751	1.4
83.01320	2.0
85.02873	2.3
89.03933	1.2
91.05470	2.2
97.02901	2.7
99.04443	3.0
103.05458	1.2
107.04979	1.6
108.69660	1.0
109.02884	28.4
119.04944	1.2
123.00840	0.9
124.04044	0.9
127.03920	100.0
128.04237	1.9
131.04912	1.1
133.02864	1.7
135.04398	3.3
136.07556	2.1
137.02338	2.0
139.03845	1.1
145.02815	1.2
145.04965	2.7
147.04388	6.5
153.01859	1.8
157.02826	1.9
163.03883	16.0
165.01833	5.6
173.02325	1.0
175.00325	1.2
175.03894	6.5
177.01857	6.0
179.03418	4.4
181.01402	1.2
181.04947	1.5
187.03914	1.6
191.03394	47.0
192.03772	1.9
193.01331	13.5
193.04997	3.1
194.02106	1.0
195.02899	1.7
201.01859	3.1
203.03383	12.7
205.01297	4.9
207.02914	3.7
209.04469	1.1
211.02521	1.3
213.01759	1.8
215.03500	1.7
217.01405	1.2
219.02901	51.9
220.03151	2.5
221.00821	77.2
221.04372	4.1
222.01125	3.9
223.02328	6.0
229.01254	2.5
231.02882	17.5
233.00822	25.3
235.02417	2.9
239.01833	23.0
240.02249	1.3
241.01280	1.1
247.02385	40.0
248.02660	2.2
249.03938	4.2
251.01921	1.6
257.00809	7.0
259.02377	17.8
265.03430	6.9
275.01852	81.9
276.02252	2.9
277.03461	20.9
278.03702	1.1
285.00250	2.7
293.02872	9.0
303.01340	28.5
303.04532	1.0
304.01645	1.4
307.25143	0.9
321.02414	24.1
338.05099	1.4
339.03470	79.7
340.03766	4.3
347.03644	1.1
381.04242	2.5
401.05048	1.4
419.05789	1.6
429.04504	3.1
431.05432	0.9
447.05588	16.4
448.05890	1.1
465.06686	16.8
466.06940	1.7
483.07605	5.8
513.72321	1.0
516.88354	1.3
703.07550	1.9
785.08472	6.2
803.09277	45.0
804.10120	5.4
821.10461	16.9
822.10754	2.3
838.37256	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	838.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.7
67.01856	1.2
67.05506	0.5
71.04977	0.5
79.05485	0.6
81.03425	3.9
81.07047	0.6
85.02898	0.6
89.03915	4.4
91.01741	0.3
91.05473	2.1
93.03419	0.4
93.07104	0.4
95.04987	0.3
95.38326	0.3
97.02901	1.1
98.22556	0.7
99.04460	2.5
103.05460	1.1
107.04936	0.6
109.02877	9.3
109.06518	0.4
109.20718	0.4
111.04418	0.4
115.05430	0.5
117.03378	15.4
119.04916	2.0
121.06510	0.9
123.04411	0.4
126.10677	0.4
127.03919	12.1
128.04199	0.4
131.04929	1.0
132.66335	0.4
134.03632	1.2
135.04405	1.3
137.05981	1.1
138.06337	0.3
145.02847	43.8
146.03212	1.1
147.04416	5.0
148.05104	0.3
149.05969	6.5
151.03909	1.4
161.05904	0.4
163.03917	0.4
163.07562	0.6
165.05406	0.4
167.07016	3.5
168.07408	0.6
169.04921	1.1
173.05981	1.0
177.05470	100.0
178.05824	3.2
181.04977	3.8
182.05286	1.1
186.05542	0.7
187.05997	1.6
191.07008	2.1
192.07516	0.6
195.06531	0.5
201.05438	0.9
207.06485	0.5
219.06543	0.7
229.07094	2.9
233.08096	0.8
234.08881	0.8
259.09744	0.6
285.07645	0.9
303.08640	19.5
304.08862	1.0
362.93799	0.4
385.13068	0.8
386.13364	0.6
417.15332	0.4
515.15558	4.5
613.23376	0.4
616.15143	0.4
629.34552	0.4
642.22723	1.0
705.94629	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	838.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01625	0.2
63.02387	0.4
67.01868	1.6
69.03448	0.2
71.04974	0.2
71.27406	0.2
76.57764	0.2
78.04712	0.3
81.03424	2.6
85.02898	0.3
89.03916	4.7
91.05478	0.6
97.02856	1.0
98.23403	0.3
99.04444	1.8
103.05486	0.2
106.04143	0.3
109.02883	8.0
116.11862	0.2
117.03380	15.0
118.03705	0.4
119.04942	0.5
121.06485	0.2
124.05210	0.2
127.03919	9.1
134.03622	0.8
135.04466	0.9
141.67545	0.2
145.02846	46.3
146.03207	1.3
147.04395	1.0
149.05983	5.2
150.06346	0.2
151.03868	0.2
163.03949	0.6
167.07059	0.4
169.04948	0.5
177.05469	100.0
178.05823	3.8
181.05035	0.3
186.05518	0.5
187.05978	0.7
187.07532	0.3
191.06976	0.2
197.81958	0.2
215.07092	0.2
226.29764	0.2
229.06976	1.1
243.06528	0.7
259.09579	0.7
285.07593	1.4
289.09036	0.2
303.08627	21.7
304.08890	1.2
515.15479	7.6
516.15521	1.0
528.97131	0.2
589.96924	0.2
684.10999	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	838.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05015	1.3
60.50855	0.6
61.02927	6.8
65.03940	1.4
66.04292	0.7
67.05508	39.4
69.03426	3.8
69.07073	13.9
69.18464	4.6
71.04990	4.6
71.06439	0.7
73.02927	3.4
73.63384	0.7
79.05499	32.5
80.05827	0.7
80.67953	0.7
81.02933	1.0
81.03425	37.7
81.07063	53.9
82.07397	0.9
83.04986	10.0
83.08624	18.4
83.09115	1.2
85.02908	19.5
85.06549	3.1
87.04469	0.8
91.03948	4.8
91.05482	28.5
92.53500	0.7
93.07048	36.6
95.04973	15.6
95.08051	1.3
95.08611	13.1
97.02884	5.8
97.06520	8.4
97.10178	3.6
98.23344	1.7
99.04452	1.8
99.08093	1.7
105.07041	13.5
107.04970	4.2
107.07867	1.1
107.08598	21.3
109.06557	4.5
109.10160	3.6
111.04426	2.2
111.08098	9.3
113.05982	1.3
115.05490	0.7
117.07033	6.3
119.08582	11.4
119.09367	1.3
121.06532	2.0
121.10136	13.8
123.08092	2.0
123.11727	2.5
125.09655	2.1
127.03907	2.0
129.07021	6.0
131.08580	12.4
133.06491	1.3
133.10144	11.3
135.08087	1.5
135.11656	4.1
137.09668	0.9
142.07698	1.6
145.04991	1.6
145.10173	1.7
147.08096	2.5
147.11705	8.4
149.09639	5.0
149.13271	15.2
150.13667	0.8
151.11261	1.3
157.10150	6.0
159.11691	7.3
161.09488	0.8
163.06013	2.3
163.11128	1.0
165.12761	2.3
175.11206	8.2
177.12749	3.2
184.45976	0.7
185.13359	0.7
193.12236	22.2
195.13811	5.5
209.11803	1.1
211.11243	1.2
211.13295	26.3
212.13463	0.9
213.14845	0.7
215.89818	0.7
227.12659	0.8
265.49765	0.8
267.15909	19.3
269.17484	62.7
270.17856	3.9
285.16992	20.6
286.17340	1.1
291.19385	0.9
365.23480	0.8
373.27390	0.7
435.27301	2.0
446.85406	0.8
461.28976	39.1
462.29327	4.3
479.30066	100.0
480.30466	9.7
573.34503	0.9
623.33923	2.6
651.78467	0.8
801.49231	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	838.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	8.3
65.03941	2.5
67.05511	38.5
69.03436	4.0
69.07076	14.8
69.44380	3.6
71.05014	5.5
73.02920	3.0
79.05498	34.7
80.05843	1.0
81.03426	48.1
81.07064	58.6
82.07401	1.4
83.04982	12.5
83.08626	22.9
85.02914	22.1
85.06541	2.5
91.03953	4.4
91.05487	30.4
92.05839	1.1
93.07054	37.4
95.04971	21.6
95.08617	13.7
97.02889	7.5
97.06538	8.9
97.10194	3.7
98.22658	1.7
99.08087	1.3
105.04550	1.3
105.07038	20.4
107.04942	5.3
107.08604	19.5
107.09292	1.6
109.06559	4.7
109.10157	4.3
111.04466	2.1
111.08081	9.9
113.05988	1.7
117.07020	6.0
119.08596	13.3
121.06526	3.1
121.10143	12.2
123.08086	3.5
123.11750	2.5
125.09682	1.1
127.03857	1.4
128.06181	0.9
129.07039	7.3
131.08582	13.2
133.06493	2.0
133.10161	11.9
135.08087	1.1
135.11726	3.4
142.07816	2.1
145.05005	1.4
145.10127	1.6
147.08066	2.8
147.11713	9.9
149.09669	4.5
149.13277	14.1
151.11159	1.1
155.08650	1.0
157.10165	10.7
159.11693	6.3
163.06068	2.0
163.11174	1.2
165.12770	1.5
175.11183	10.3
177.12814	2.6
183.11833	0.9
193.12245	26.9
195.13864	6.5
201.12793	0.8
211.13306	36.8
212.13602	1.3
227.12729	1.2
249.14737	1.1
267.15933	32.4
268.16309	1.2
269.17487	54.1
270.17847	3.0
285.13870	1.6
285.16971	27.8
286.17334	1.9
435.27658	1.4
443.28409	1.6
461.28973	68.2
462.29211	6.4
479.30075	100.0
480.30518	8.8
573.34076	1.2
578.76056	1.1
623.34131	2.4
749.11652	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	838.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	3.5
61.02949	1.6
65.03945	3.6
67.05505	88.8
68.05844	2.8
69.03442	5.8
69.07068	20.5
71.01330	2.4
71.04987	8.4
73.02922	3.6
79.05496	46.9
79.22354	1.7
80.05858	2.0
81.03416	100.0
81.07056	51.4
82.03775	2.6
82.07388	2.9
83.04977	17.5
83.08616	27.0
85.02902	9.8
85.06561	3.9
87.04468	4.0
91.05479	43.0
93.07040	30.2
95.04973	33.8
95.08616	18.9
96.08982	1.7
97.02894	9.0
97.06535	9.7
97.10158	15.7
98.22521	2.9
98.41954	1.5
100.72866	1.9
103.03955	2.0
105.07030	28.7
107.04942	16.4
107.08596	21.0
109.02869	1.7
109.06538	14.1
109.10153	54.0
110.10468	2.1
111.04471	6.0
111.08080	12.0
115.05435	3.1
117.07027	10.4
119.04964	2.9
119.08587	28.8
121.06519	11.2
121.10135	14.9
123.04459	2.7
123.08095	6.4
123.11668	2.2
125.09611	13.0
128.06236	2.9
129.05511	2.6
129.07008	12.8
131.08569	20.2
132.08914	1.8
133.06496	5.5
133.10136	10.9
135.08067	5.9
135.11720	7.4
136.11990	1.5
137.05989	2.0
137.09644	6.2
142.07733	2.0
143.08540	4.4
145.06485	2.2
145.10123	12.6
147.04382	3.6
147.08073	8.7
147.11687	9.0
149.09644	12.3
149.10652	2.3
153.09068	2.7
153.12791	6.4
155.08578	2.7
155.10677	3.2
157.10130	11.2
159.11670	3.3
159.91528	1.7
161.09644	3.3
163.11162	11.9
165.12773	3.6
171.11612	1.8
173.09578	2.3
173.11774	12.7
173.13057	2.0
175.11220	8.8
176.11858	1.5
177.12668	1.5
181.12288	4.0
184.07407	4.5
185.13202	1.8
187.11078	1.7
189.11253	5.9
191.10701	5.7
191.14226	2.0
192.31099	1.6
193.12250	30.7
193.13974	2.0
199.13277	3.0
205.12294	2.7
209.11798	6.6
211.11488	2.2
211.13309	6.8
217.14381	3.3
219.13751	6.0
223.13338	3.7
227.12762	15.4
229.12375	1.7
229.14352	37.7
229.16476	3.2
230.14732	1.9
231.13785	2.4
247.13368	3.9
249.14990	4.9
259.13281	4.5
267.15909	80.0
268.16260	3.7
273.18530	6.3
274.18994	1.8
275.20020	8.4
283.15347	11.6
291.15842	1.9
291.19562	4.9
292.20047	2.3
293.20908	2.7
301.16550	7.6
341.80313	2.1
347.22275	2.0
349.23880	4.8
355.22693	1.8
363.21576	1.7
367.22769	2.6
383.22217	7.4
385.23590	2.7
399.23792	12.0
401.23157	7.4
403.24704	2.5
409.25665	1.7
421.25891	18.0
422.26157	2.4
457.25531	2.3
458.26453	9.1
459.27280	4.8
475.26956	8.6
476.27597	12.3
477.28140	2.6
493.28278	7.6
511.29031	3.1
518.32361	3.0
591.35162	8.2
623.43274	2.8
641.44452	2.5
658.43518	2.7
838.41357	2.2
839.42377	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.3
67.05514	39.1
69.03448	1.7
69.07076	28.1
71.05003	3.7
79.05501	48.0
81.03438	6.4
81.07061	88.5
82.07401	2.6
83.04994	9.7
83.08629	20.4
85.02885	2.2
85.06559	2.8
91.05486	46.6
93.07049	39.7
95.01350	5.5
95.04983	29.6
95.08617	31.6
97.06532	24.5
97.10204	5.6
97.97411	1.6
99.04497	1.9
99.08111	1.7
105.04538	2.1
105.07035	55.8
107.04967	16.7
107.08600	27.4
107.78763	1.8
109.06535	26.0
109.10152	9.4
111.04465	5.4
111.08099	5.8
115.05493	2.9
117.07017	14.8
119.08593	35.2
121.06494	7.6
121.10133	18.6
121.98508	1.7
123.08102	5.7
123.11710	4.6
125.09637	5.9
129.07040	4.7
130.07790	1.9
131.08574	22.3
133.10143	32.3
135.08104	5.8
135.11688	11.6
137.09625	4.3
140.69246	1.6
141.07033	2.8
143.08612	3.0
145.06483	2.4
145.10127	18.8
147.08099	2.2
147.11694	19.0
149.09625	15.9
149.13287	5.5
151.11230	3.8
155.08556	2.6
157.10199	5.6
159.08134	2.4
159.11720	14.0
161.09647	1.9
161.13278	5.7
163.11156	15.5
165.12830	3.3
169.10132	3.7
171.11728	3.3
173.13321	4.7
175.11176	3.0
177.12814	3.9
179.14278	8.9
185.13228	2.1
187.11235	4.1
187.14948	2.5
189.11223	2.5
195.13849	2.4
197.13313	2.6
215.14383	2.1
219.17488	2.7
223.13321	10.4
229.19580	4.2
239.17851	3.6
247.20604	6.8
257.18994	9.1
275.20074	100.0
276.20432	6.5
293.21106	15.9
331.22763	2.1
349.23767	65.6
350.24185	5.5
367.24823	25.8
460.91095	2.0
520.13208	1.7
529.34967	2.6
543.36517	4.5
623.43024	61.9
624.43561	10.0
641.44122	71.2
642.44128	11.5
659.44775	3.1
700.41553	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	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	8.7
67.05505	66.5
69.03459	4.8
69.07080	33.8
71.04969	5.0
71.08634	7.0
79.05495	56.3
81.03410	6.3
81.07063	100.0
83.04974	11.7
83.08622	21.0
85.06566	6.3
86.09687	5.5
87.04477	18.3
91.05486	72.9
93.07043	51.1
93.66352	4.3
95.04980	14.8
95.08601	40.7
97.02962	6.1
97.06533	19.6
97.10175	10.5
98.22613	16.0
105.07027	77.5
107.04938	10.1
107.07971	4.8
107.08599	30.3
109.06544	18.3
109.10168	15.9
117.07046	18.6
119.08567	40.6
121.10176	17.8
123.08087	6.9
125.09673	6.7
129.06940	5.0
131.08565	30.9
133.10167	45.7
135.11731	10.4
136.06186	6.3
143.08577	8.2
145.10089	23.6
147.11626	23.5
149.09621	14.5
149.13280	9.6
157.10080	6.7
159.11707	14.3
161.13290	8.4
163.11224	9.0
171.11630	8.8
173.13182	4.8
179.14319	11.5
184.07390	15.9
189.04305	4.9
223.13310	12.0
223.48300	4.4
257.18976	11.2
259.20584	11.0
267.15991	5.6
275.20065	90.0
291.19562	22.1
293.21024	10.1
313.27322	8.3
333.24210	15.8
339.29074	9.7
349.23813	56.3
350.24060	7.3
365.23431	6.6
367.24960	24.7
523.43280	4.6
543.36652	10.8
577.51660	11.3
623.43024	77.6
624.43237	14.3
641.44147	84.5
642.44299	11.9
779.44672	10.5
780.45654	45.2
781.45593	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.5
67.05509	61.3
69.03430	4.5
69.07074	43.6
71.05000	5.2
77.03942	3.3
79.05497	55.4
79.59245	1.6
81.03414	15.1
81.06584	4.0
81.07061	81.3
82.07368	2.1
83.04984	11.3
83.08621	15.3
85.02910	3.0
85.06545	3.2
91.05487	65.6
92.05804	1.7
93.07047	51.3
95.01328	9.9
95.04992	15.3
95.08614	35.9
97.02882	2.8
97.06537	35.9
97.10179	5.2
99.04433	1.9
99.08105	2.7
103.05482	3.8
105.04565	1.9
105.07033	84.9
107.04946	21.6
107.08599	27.3
109.02840	1.7
109.06511	11.2
109.10150	10.9
111.08105	4.5
115.05444	2.8
117.07030	20.5
119.08585	45.5
121.06528	5.7
121.10137	13.8
123.04417	2.7
123.08061	5.0
123.11723	3.5
125.09634	3.1
126.30716	1.5
127.03872	1.7
129.07034	6.3
131.08560	28.1
131.09480	1.9
133.10136	43.6
135.08081	5.1
135.11690	14.4
136.06197	2.2
137.09650	3.7
141.06973	3.0
143.08592	7.1
145.10120	19.4
147.11682	15.4
149.09599	11.8
149.13278	9.8
151.11263	2.3
155.08643	3.0
157.10143	7.0
157.56447	1.7
159.11697	13.2
161.13274	6.6
163.11201	11.0
169.10132	4.6
171.11682	5.8
173.13312	5.4
175.11182	2.5
177.12804	7.5
179.14328	14.6
183.11703	3.3
185.13281	1.8
187.11253	3.7
197.13353	2.2
201.12650	2.3
210.08978	2.0
219.13757	1.6
219.17500	3.2
239.17848	2.4
247.20789	3.6
255.15881	8.7
257.19067	10.0
269.17523	17.7
275.20068	100.0
276.20441	4.4
293.21048	8.1
331.22784	3.4
349.23767	57.1
350.24216	5.8
367.24805	5.3
413.21738	3.5
529.35553	19.2
530.36041	2.8
543.36829	80.6
544.36938	7.3
547.46808	2.0
583.39929	2.7
623.33777	2.9
623.43066	35.2
624.43280	4.6
641.44147	15.6
642.44189	2.2
687.40979	2.7
777.58502	2.0
802.24756	2.1
817.42596	2.1
836.60187	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	838.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41033	2.8
65.03951	4.6
67.05508	83.8
68.89397	3.0
69.00751	8.6
69.01165	15.4
69.03419	6.2
69.07063	22.8
70.93529	2.8
71.04999	7.7
73.06514	3.6
79.05497	69.1
80.05843	3.0
81.03418	6.1
81.07057	73.6
83.04964	5.6
83.08627	36.0
85.02920	3.8
85.06543	4.4
87.04472	3.6
91.05486	49.0
93.06473	4.7
93.07046	72.0
95.04968	39.7
95.08611	59.9
97.06538	6.0
97.10155	6.6
98.23445	5.6
105.04525	2.6
105.07036	36.7
107.04976	17.6
107.08603	37.0
109.06496	11.8
109.10168	24.2
111.08055	6.7
111.42404	2.7
117.07035	19.9
117.58864	2.9
119.08580	33.0
121.06516	9.5
121.10175	25.9
123.08051	4.6
123.11688	7.4
125.09652	4.5
129.07008	6.4
131.08557	27.6
133.10141	24.7
135.08086	8.1
135.11710	14.5
137.09650	5.7
143.08566	8.8
145.10133	31.5
147.08002	4.5
147.11703	13.5
149.09634	23.3
149.13304	3.3
157.10155	4.1
158.71063	2.8
159.11687	18.1
160.24753	3.0
161.13264	5.5
163.11191	27.7
165.12747	6.8
171.11708	4.7
173.09647	3.7
173.13249	6.5
177.12781	7.2
178.98294	2.7
183.11754	3.1
187.14778	4.9
189.11307	4.6
205.12318	5.7
208.65741	3.0
227.12605	3.6
229.19490	2.9
239.17874	3.8
257.18988	9.7
260.86728	3.1
261.22116	8.5
273.18497	3.8
275.20056	76.6
276.20309	4.6
293.21152	7.2
297.91107	2.8
331.22708	3.3
335.25848	100.0
336.26108	5.6
337.27228	5.3
349.23749	60.4
350.23813	5.0
367.24750	4.3
381.26437	24.3
529.39008	5.3
609.45081	43.5
625.38843	3.9
627.46338	16.8
628.46997	3.4
641.47766	74.1
642.47711	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	838.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	57.8
69.03412	4.8
69.07076	25.2
70.08649	4.0
71.04990	17.7
79.05499	55.9
81.03407	4.9
81.07060	100.0
83.08617	15.6
86.09725	7.0
87.04461	8.7
91.05482	32.5
93.07034	42.8
95.04939	5.1
95.08612	49.1
96.04333	4.0
97.06520	6.3
98.22536	10.3
105.07038	29.0
106.02187	4.1
106.09417	4.4
107.04974	5.9
107.08600	22.6
109.06551	14.6
109.10145	15.0
111.08054	7.2
117.07017	12.0
119.08541	26.8
121.06526	4.2
121.10127	17.7
123.11714	7.5
124.99997	5.0
131.08597	10.6
133.10143	13.5
135.11693	14.9
145.10132	9.8
147.11630	11.0
149.13266	10.9
159.11690	12.9
161.13205	4.9
163.11174	5.7
173.13336	6.3
184.07407	12.1
235.63795	4.5
270.55328	4.7
275.20090	30.6
307.22830	6.3
313.27496	6.4
335.25861	79.0
339.29111	10.8
349.23712	14.9
381.26193	25.3
414.04160	4.6
436.35211	5.3
462.91403	4.4
529.38531	5.0
577.52075	6.5
609.45337	40.2
610.44867	4.9
627.46051	10.7
641.47571	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	839.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23024	0.3
65.03944	2.2
67.05489	0.6
69.37210	0.3
70.38732	0.3
78.04713	0.3
78.61831	0.3
79.05500	0.6
81.03419	0.6
91.05483	15.3
93.07056	0.6
95.04986	0.6
107.04984	0.9
107.08611	0.4
109.02876	0.9
111.01258	0.3
115.05457	0.4
116.46809	0.3
117.03358	0.4
119.04948	29.0
120.05269	1.1
123.04405	0.8
127.03894	0.5
131.04922	0.6
137.06013	0.5
140.04692	0.3
141.13535	0.3
145.02879	0.8
145.06520	0.4
147.04410	100.0
148.04756	3.2
152.99190	0.3
153.05447	0.4
155.07065	1.0
158.03639	0.6
167.07042	6.7
167.08377	0.6
173.05984	1.2
177.05453	2.1
178.05846	0.3
181.05031	0.6
186.03143	0.7
190.07793	0.6
191.07018	0.6
201.05466	11.0
202.05806	0.7
204.48048	0.3
205.06531	0.5
207.08038	0.4
213.05482	4.9
218.07347	0.5
219.08073	0.7
221.06070	0.8
231.06512	4.2
232.05040	0.3
234.06612	0.6
235.07593	0.9
236.08301	0.6
245.06032	0.4
246.06755	1.1
247.07411	0.9
249.05484	0.9
256.03836	0.3
260.04620	0.7
262.06171	0.6
263.06979	1.0
264.07709	1.6
265.08408	0.6
272.57385	0.3
273.07635	1.2
274.06168	0.8
275.06992	1.1
276.07748	0.4
277.05026	1.4
277.08521	0.6
279.10043	0.6
288.04236	0.6
289.04819	0.9
291.06488	0.7
292.07266	2.2
295.09589	0.9
302.05673	0.9
303.06467	3.4
304.07196	1.0
305.04459	0.9
305.07953	0.3
307.09616	0.7
320.06812	3.4
321.07254	0.4
323.09164	0.4
335.09116	8.8
336.09521	0.9
337.10669	0.8
352.09341	0.5
353.10187	0.5
355.11719	5.0
367.11761	19.4
368.12149	1.3
385.12869	2.8
411.51398	0.3
461.28806	0.5
480.29779	0.4
579.69397	0.4
626.83502	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	839.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	1.2
65.03954	3.4
65.94867	1.2
67.05508	50.5
68.05842	1.7
69.03440	4.5
69.07073	29.3
71.05006	5.9
77.03905	1.0
79.05497	53.2
80.05841	2.2
81.03426	8.0
81.07060	100.0
82.07407	2.4
83.04984	12.3
83.08624	31.7
85.02914	3.6
85.06544	4.9
86.09702	1.5
88.41323	1.1
91.05488	43.1
92.05828	2.4
93.07049	43.3
93.07632	2.2
94.07410	1.7
95.04974	53.9
95.08614	35.3
95.09238	1.1
96.05341	1.3
97.02878	2.0
97.06532	12.4
97.10172	11.1
99.04473	2.9
99.08100	2.9
103.05470	2.6
105.07034	40.5
106.07379	2.1
107.04948	15.2
107.08601	31.7
108.08923	1.8
109.00896	0.9
109.06516	25.7
109.10162	16.5
111.04457	10.6
111.08080	7.2
113.06059	1.1
115.05470	1.7
117.07034	15.6
118.14867	1.1
119.08582	31.7
120.08940	1.1
121.06485	8.9
121.10146	24.2
123.08067	11.8
123.11716	7.5
125.00053	1.7
125.09630	8.8
128.06290	1.1
129.06993	5.1
130.07765	1.4
131.08583	19.6
133.06500	2.7
133.10126	24.2
133.11066	1.7
135.08076	7.8
135.11705	11.5
137.09639	4.5
137.13210	1.3
139.11191	1.3
141.06982	1.8
142.07768	1.6
143.08531	5.2
145.06451	2.0
145.10133	21.4
146.10417	1.4
147.08084	4.9
147.11690	19.5
148.12062	1.3
149.09639	20.5
149.13292	6.9
150.09995	0.9
151.11234	4.0
153.09134	1.9
153.12747	1.5
155.08549	3.2
157.10130	6.2
158.10500	1.1
158.71085	0.9
159.08084	1.4
159.11707	12.9
161.09602	3.1
161.13272	5.2
163.11192	23.2
163.14883	1.9
165.12723	6.6
167.50703	0.9
169.10136	4.0
171.11630	4.8
173.09711	2.4
173.13255	6.6
175.11246	2.6
175.14909	1.2
177.12801	4.5
179.14320	1.8
181.12215	1.8
183.11755	3.9
184.07382	7.1
184.12143	1.1
185.13245	2.1
187.11243	3.2
187.14847	2.6
189.11244	6.8
189.12769	2.0
191.14362	1.2
193.12337	2.5
197.13315	3.1
199.14854	1.2
201.12733	1.2
205.12288	3.2
207.13821	2.3
211.13237	1.2
211.14919	1.0
215.18011	1.8
223.13283	25.0
223.15289	1.4
224.13588	1.6
229.19521	3.9
239.18001	4.4
247.20654	5.3
257.19009	8.9
265.21814	1.2
267.15970	3.0
275.20071	93.3
276.20465	6.1
293.21103	30.0
294.21466	2.0
299.45163	1.1
311.22400	1.3
331.22653	2.4
349.23755	45.4
350.24109	5.1
366.22610	1.0
367.24802	66.7
368.25079	3.9
513.35748	1.4
515.34180	1.6
567.40375	1.3
623.43134	20.8
624.43445	8.5
641.44141	34.6
642.44391	11.1
659.45105	33.5
660.45184	3.6
839.46198	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	840.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09754	0.2
63.79984	0.2
65.03929	1.1
69.03433	1.3
81.03420	0.8
85.02906	0.8
91.05483	8.7
92.05815	0.2
97.02890	0.9
98.23370	0.3
99.04523	0.2
109.02884	4.1
111.04489	0.2
117.03411	0.2
119.04948	19.2
120.05293	0.6
121.06509	0.3
123.04456	0.2
127.03913	1.9
137.05962	0.7
138.06293	0.2
145.02850	0.8
145.04941	0.5
147.04411	100.0
148.04752	3.4
158.73575	0.2
167.07063	0.8
168.22488	0.2
169.04964	0.2
177.05487	1.6
178.05844	0.4
179.03464	0.3
181.04987	0.5
187.06076	0.3
191.06960	0.2
201.05502	0.4
205.07016	0.6
221.23836	0.2
229.08662	0.8
273.07605	1.3
304.09070	0.2
387.14368	0.2
419.11264	0.7
601.16815	0.4
758.67065	0.2
841.38086	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	840.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05506	33.4
69.03432	4.1
69.07072	14.6
69.59563	5.6
71.04981	3.9
73.02907	1.1
77.03931	1.2
79.05496	33.9
81.03419	76.6
81.07059	46.7
82.03768	1.4
82.07398	1.4
83.04977	7.2
83.08617	21.0
85.02918	3.0
91.05486	33.8
93.07040	26.6
95.04975	33.2
95.05563	2.2
95.08616	15.5
97.02890	3.1
97.06543	4.0
97.10155	9.1
99.08124	1.3
103.05422	1.6
105.04540	1.3
105.07036	25.4
107.04965	13.6
107.08601	16.0
109.06524	11.5
109.10151	9.6
111.04462	3.2
111.08087	8.1
113.41784	1.1
115.05475	2.9
117.01066	1.4
117.07017	14.5
118.70714	1.2
119.04949	1.5
119.08579	30.5
121.06498	9.8
121.10134	11.0
123.08062	15.1
125.09656	6.8
129.07004	14.2
129.07886	1.3
131.04951	1.3
131.08568	18.6
133.00507	2.1
133.06509	5.1
133.10136	9.9
135.08075	4.9
135.11691	4.2
137.09647	3.6
141.07008	2.3
142.07768	2.1
143.08530	7.8
145.06479	3.6
145.10120	14.1
147.08052	13.8
147.11676	9.3
149.09628	13.2
149.13219	1.4
155.08543	2.7
157.10124	15.2
159.08096	3.3
159.11714	4.1
161.09641	6.9
163.11200	9.2
165.12784	1.6
169.10165	4.1
171.08034	1.8
171.10324	1.3
171.11681	6.4
173.07355	1.1
173.09677	2.9
173.13136	1.4
175.11163	13.4
181.10172	1.3
184.07338	2.1
185.09706	2.2
185.13306	3.5
187.11220	2.3
189.09059	1.5
189.11186	2.4
189.12804	3.3
193.12239	17.7
195.11687	1.4
197.07288	2.5
199.11169	1.2
205.12254	1.9
211.11339	1.6
211.13290	2.4
213.12749	2.4
223.13313	2.0
227.12747	2.0
227.17964	3.2
245.18977	1.4
249.14841	4.0
255.17458	2.8
267.15900	100.0
268.16260	5.7
273.18475	21.2
291.19537	26.1
309.16281	4.3
313.21652	1.5
323.64566	1.1
323.88855	1.2
327.17096	1.5
336.68011	1.3
341.21240	3.9
347.22238	5.1
352.71014	1.1
383.19824	11.6
393.23953	1.3
401.20911	42.0
402.21017	1.6
415.24896	3.7
433.25900	28.6
434.26059	2.6
447.28943	5.3
465.30081	6.6
483.30911	3.6
519.28516	1.7
521.32800	2.8
539.33698	17.8
540.34045	1.5
557.34753	31.6
558.35187	3.0
570.20502	1.4
575.31335	30.2
576.31256	2.4
593.32367	54.1
594.32526	5.1
655.50677	1.2
684.14594	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	840.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49539	1.8
59.05002	3.5
61.02929	5.7
65.03943	5.2
67.05507	100.0
68.05851	3.0
69.03435	8.3
69.07076	29.1
70.07379	1.8
71.05003	9.9
73.02935	2.6
79.05500	53.1
79.05961	3.3
81.03424	62.4
81.07063	87.2
83.04974	18.2
83.08619	24.1
85.02911	11.4
85.06555	7.8
91.03988	3.5
91.05489	49.5
92.05808	2.1
93.07050	55.1
94.07391	2.2
95.04976	31.7
95.08610	31.7
97.02892	8.7
97.06519	16.6
97.10167	13.1
105.07034	33.1
106.07317	2.5
107.04954	14.9
107.07960	3.0
107.08606	30.4
108.08931	2.6
109.06532	9.3
109.10162	45.9
111.04425	2.9
111.08073	11.2
115.05517	3.6
117.07008	15.6
119.08589	30.4
121.06496	11.2
121.10142	21.0
123.08096	5.6
123.11729	6.2
125.06006	5.1
125.09649	8.5
127.03899	2.0
128.06313	2.0
129.05493	2.8
129.07007	10.1
131.08586	21.9
133.06505	5.7
133.10147	20.1
135.08083	7.1
135.11734	11.0
137.09618	7.1
139.11235	1.9
141.06929	2.4
142.07744	2.4
143.02586	1.9
143.08612	6.3
145.06500	3.7
145.10167	12.0
147.08049	4.3
147.11670	11.5
149.09634	11.1
149.13300	7.6
151.07571	1.8
151.11172	2.8
155.08633	2.6
157.10118	13.0
159.08066	2.9
159.11700	12.1
163.11172	10.5
165.12822	3.5
171.11671	4.5
173.09641	2.1
173.11755	9.9
173.13193	4.1
175.11230	6.9
177.12743	5.6
181.10783	1.9
181.12225	10.3
183.11763	2.8
187.11353	2.2
189.11224	5.5
191.10696	3.3
193.12267	21.3
194.12616	3.3
195.13882	3.4
199.13257	2.3
199.14958	2.3
209.11739	2.6
209.13591	1.8
211.13266	7.4
212.13675	2.7
221.49811	2.0
227.12813	7.8
229.14369	46.4
239.17998	2.2
243.15941	5.3
249.14844	4.0
267.15927	59.5
268.16348	4.6
269.17511	23.2
273.18610	2.8
275.20056	13.8
285.16913	2.6
287.18320	2.9
291.19360	4.8
293.21136	2.0
309.17172	1.8
311.19989	3.2
315.18146	2.4
327.56320	1.8
329.20990	4.0
349.23755	9.6
365.23047	2.9
383.24283	3.9
403.25061	2.5
421.25833	30.8
423.27527	6.7
429.25641	2.5
435.27255	3.2
437.29001	37.4
445.29144	4.2
447.27563	11.2
449.29245	3.3
461.29044	13.1
463.30743	20.2
464.31732	2.6
479.29892	4.6
480.30377	6.2
481.31430	15.4
493.31540	4.5
541.35126	20.5
557.34662	3.5
559.36139	14.0
582.19580	2.0
582.43250	2.0
591.38843	2.3
636.96704	2.3
840.46185	4.2
841.38525	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	5.5
60.08157	6.3
60.46247	4.2
61.02916	6.7
65.03947	5.3
67.05511	92.0
69.03432	7.9
69.07074	30.3
71.05003	6.3
71.07362	4.5
76.56787	4.1
79.05495	96.8
80.05840	4.9
81.03415	7.3
81.07063	89.0
82.07384	6.1
83.04967	14.6
83.08627	34.0
85.02896	10.8
85.06553	4.4
86.09711	27.6
91.05486	84.3
92.05853	4.3
93.07054	80.7
94.07362	6.1
94.51654	3.8
95.04969	21.5
95.08609	59.2
96.08960	4.4
97.02917	8.4
97.06538	9.2
97.10185	37.7
98.98447	4.6
99.08118	3.9
99.81000	3.6
105.07035	88.0
105.07746	4.3
107.04961	14.0
107.08599	72.9
109.06514	15.7
109.10159	33.5
111.04480	4.5
117.07021	31.7
119.08601	64.4
121.06522	13.4
121.10139	26.3
122.10388	3.7
123.08080	6.0
123.11694	14.3
125.00004	16.5
125.09635	30.4
128.06284	7.9
129.07014	17.7
131.08577	42.3
133.10143	49.2
135.08040	9.0
135.11700	23.0
135.12561	4.7
141.06970	10.0
142.07794	5.3
143.08563	23.0
145.10101	36.1
146.10448	5.9
147.11711	32.6
149.09613	16.1
149.13249	7.8
151.11249	4.1
153.09079	4.1
155.08566	8.4
156.93369	3.8
157.10153	18.8
159.10596	3.7
159.11661	24.3
161.09608	7.4
161.13277	18.1
163.11183	7.3
167.08577	7.6
169.10175	19.6
171.11662	24.1
173.13301	14.5
175.07492	4.1
175.11368	4.5
181.10109	6.0
183.11649	17.3
184.07346	94.0
185.13284	11.0
187.13310	7.9
187.14764	8.2
189.11241	17.1
195.11679	7.9
197.13283	14.2
199.14799	8.6
209.13258	8.4
211.14755	6.1
213.16396	8.3
227.12782	26.3
229.04640	4.4
235.14941	5.5
237.16241	4.5
239.17903	8.3
241.19560	8.6
243.15898	8.1
257.18799	9.7
259.20694	21.1
275.20038	38.1
276.20416	10.0
294.21436	4.8
333.24225	17.0
349.23688	23.7
350.23944	7.0
365.28439	8.7
367.24533	6.1
383.29892	5.1
384.44028	4.9
513.35394	6.1
515.38660	9.6
533.39539	9.1
551.39844	4.9
607.43445	52.0
608.43665	4.1
624.42981	6.6
625.44537	100.0
626.44818	17.7
642.44147	6.0
643.44757	21.8
684.48853	4.5
840.45404	12.5
841.46753	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	5.5
60.08157	6.3
60.46247	4.2
61.02916	6.7
65.03947	5.3
67.05511	92.0
69.03432	7.9
69.07074	30.3
71.05003	6.3
71.07362	4.5
76.56787	4.1
79.05495	96.8
80.05840	4.9
81.03415	7.3
81.07063	89.0
82.07384	6.1
83.04967	14.6
83.08627	34.0
85.02896	10.8
85.06553	4.4
86.09711	27.6
91.05486	84.3
92.05853	4.3
93.07054	80.7
94.07362	6.1
94.51654	3.8
95.04969	21.5
95.08609	59.2
96.08960	4.4
97.02917	8.4
97.06538	9.2
97.10185	37.7
98.98447	4.6
99.08118	3.9
99.81000	3.6
105.07035	88.0
105.07746	4.3
107.04961	14.0
107.08599	72.9
109.06514	15.7
109.10159	33.5
111.04480	4.5
117.07021	31.7
119.08601	64.4
121.06522	13.4
121.10139	26.3
122.10388	3.7
123.08080	6.0
123.11694	14.3
125.00004	16.5
125.09635	30.4
128.06284	7.9
129.07014	17.7
131.08577	42.3
133.10143	49.2
135.08040	9.0
135.11700	23.0
135.12561	4.7
141.06970	10.0
142.07794	5.3
143.08563	23.0
145.10101	36.1
146.10448	5.9
147.11711	32.6
149.09613	16.1
149.13249	7.8
151.11249	4.1
153.09079	4.1
155.08566	8.4
156.93369	3.8
157.10153	18.8
159.10596	3.7
159.11661	24.3
161.09608	7.4
161.13277	18.1
163.11183	7.3
167.08577	7.6
169.10175	19.6
171.11662	24.1
173.13301	14.5
175.07492	4.1
175.11368	4.5
181.10109	6.0
183.11649	17.3
184.07346	94.0
185.13284	11.0
187.13310	7.9
187.14764	8.2
189.11241	17.1
195.11679	7.9
197.13283	14.2
199.14799	8.6
209.13258	8.4
211.14755	6.1
213.16396	8.3
227.12782	26.3
229.04640	4.4
235.14941	5.5
237.16241	4.5
239.17903	8.3
241.19560	8.6
243.15898	8.1
257.18799	9.7
259.20694	21.1
275.20038	38.1
276.20416	10.0
294.21436	4.8
333.24225	17.0
349.23688	23.7
350.23944	7.0
365.28439	8.7
367.24533	6.1
383.29892	5.1
384.44028	4.9
513.35394	6.1
515.38660	9.6
533.39539	9.1
551.39844	4.9
607.43445	52.0
608.43665	4.1
624.42981	6.6
625.44537	100.0
626.44818	17.7
642.44147	6.0
643.44757	21.8
684.48853	4.5
840.45404	12.5
841.46753	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	5.3
65.03943	5.6
66.97015	4.0
67.05510	89.0
67.90948	3.5
69.03429	9.8
69.07065	45.6
69.46417	18.5
71.05006	8.3
72.79128	3.8
79.05076	6.4
79.05501	94.2
81.03409	14.1
81.06586	6.5
81.07063	99.8
83.04988	16.3
83.08627	42.0
85.02924	5.1
85.06579	5.1
86.09717	23.9
91.05489	100.0
93.07055	95.8
95.04980	93.7
95.08608	59.1
96.05367	4.1
97.06528	13.7
97.10154	19.1
97.28092	4.1
99.04459	5.1
99.08090	4.3
103.05483	4.0
105.07034	95.8
106.07388	4.3
107.04955	19.1
107.08595	61.6
109.06518	13.7
109.10163	28.1
111.04448	8.7
111.08086	8.5
117.07008	34.3
119.08582	76.1
120.08995	4.5
121.06487	12.3
121.10146	43.3
123.08063	8.0
123.11689	10.5
124.99996	14.4
125.09616	8.9
127.77610	5.1
128.06206	4.2
129.06996	17.8
131.08588	44.1
133.09229	5.6
133.10146	58.7
135.08075	13.3
135.11696	25.1
139.11249	5.4
143.08568	16.4
145.10139	55.8
147.08047	7.7
147.11690	41.4
149.09636	34.2
149.13229	9.5
151.11235	7.2
155.08553	9.6
157.10130	14.5
159.11670	32.6
161.13249	21.5
163.11192	43.4
169.10123	9.5
171.11671	21.2
173.13292	14.7
175.14839	12.0
177.12772	7.9
183.11772	9.4
184.07381	63.4
185.13310	15.6
187.11163	5.4
189.11258	10.5
197.13258	9.0
199.14789	6.9
223.13266	51.9
227.12866	4.6
229.19695	4.4
231.21059	4.5
239.17943	6.2
241.19435	24.1
247.20628	4.7
257.18912	9.8
259.20642	48.8
260.21072	5.0
275.20105	60.8
276.20486	11.1
277.21552	4.4
293.21066	30.3
300.65561	4.0
315.23074	14.9
332.88263	4.4
333.24222	60.1
335.25912	4.8
349.20041	4.9
349.23615	22.7
367.24768	41.1
439.40543	3.9
499.34097	8.4
515.38300	6.4
607.43384	17.0
625.34698	7.2
625.44568	76.1
626.44397	11.1
643.44861	11.9
734.99420	4.8
841.46741	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92432	16.4
67.05505	74.0
69.07068	38.7
71.30636	23.9
79.05487	88.8
79.07539	17.3
81.07054	100.0
83.08617	36.7
86.09686	17.6
91.05483	89.8
92.83517	16.8
93.07049	59.1
95.08607	44.7
95.14027	15.9
105.07035	79.7
107.08604	38.4
109.06507	18.6
109.10165	31.2
117.07036	24.3
119.08588	85.6
120.32179	14.6
121.10178	32.9
129.07004	21.8
131.08594	36.1
133.10118	50.8
135.11694	32.2
143.08473	19.0
145.10126	44.4
147.11684	54.6
149.09668	24.0
161.13234	29.5
184.07368	66.0
241.19591	30.5
243.01619	20.8
259.20566	53.2
275.20050	72.9
288.90488	15.4
289.41833	15.2
293.20932	22.5
333.24329	97.3
367.24808	79.5
625.44299	47.9
643.44580	23.4
721.70404	19.1
778.78802	17.5
841.45972	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72897	2.6
67.05504	68.4
69.03439	5.8
69.07070	28.8
69.45915	2.2
71.04995	4.9
79.05495	61.8
81.03420	10.2
81.07058	100.0
83.04975	16.8
83.08627	18.8
84.00595	2.5
85.02935	5.2
85.06549	3.4
86.09706	5.6
91.05479	41.1
93.07041	56.0
95.04976	22.1
95.08601	46.3
97.06533	8.0
97.10175	24.7
99.04494	2.7
99.08078	3.8
105.07030	28.2
107.04953	8.0
107.08592	38.6
109.06511	8.9
109.10162	20.7
111.04457	14.2
111.08064	10.8
112.06686	2.7
115.05499	2.7
117.06998	13.9
119.08594	31.4
121.06503	7.1
121.10136	22.3
123.08077	23.6
123.11727	3.5
124.99997	5.1
125.09624	24.8
129.07005	7.9
130.07722	3.0
131.08580	20.4
133.06483	3.5
133.10175	13.0
135.08057	9.0
135.11720	14.9
137.09630	3.6
139.11150	2.7
143.08557	3.5
145.10094	14.2
147.08040	9.3
147.11707	11.2
149.09593	11.1
149.13239	6.7
153.09108	5.1
153.12744	9.3
157.10149	8.0
159.11679	10.6
161.09636	3.4
161.13237	5.1
163.11192	20.8
165.09135	7.1
169.10080	3.2
171.11635	4.6
173.09576	3.3
173.13289	5.0
175.11185	5.6
181.12222	8.1
183.11610	3.6
184.07304	20.0
185.13342	3.4
189.11270	17.5
191.10622	5.3
193.12189	3.5
223.13257	7.1
227.12733	18.6
229.28464	3.5
245.18962	3.5
255.17334	4.1
261.22122	6.3
273.18439	40.2
275.20172	3.7
283.15332	4.9
291.19543	83.6
292.19910	6.3
309.20633	9.4
318.05475	3.0
335.25800	84.2
336.26443	5.2
347.22220	6.7
365.23166	33.3
383.24191	23.1
487.34354	3.0
488.96082	2.8
607.43359	5.1
625.44519	33.3
643.45807	30.8
644.45679	3.4
762.65649	2.9
809.29791	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.7
65.03938	3.3
67.05138	4.4
67.05502	64.2
69.03429	6.1
69.07069	22.5
69.59894	13.8
71.04996	4.7
79.05495	55.5
81.03434	7.9
81.07056	87.2
82.07346	2.9
83.04973	10.4
83.08630	13.7
85.02909	3.9
86.09719	5.6
89.62854	2.6
91.05489	38.4
93.07045	46.4
95.04987	17.4
95.08604	39.5
97.06550	7.1
97.10159	21.4
98.98502	2.5
105.07014	21.6
106.97748	2.5
107.04948	8.9
107.08601	32.7
109.06503	6.8
109.10148	16.0
111.04423	9.0
111.08093	7.5
112.41937	2.7
117.07015	16.0
119.08569	25.5
121.06519	5.0
121.10149	18.8
123.08075	13.0
123.11705	4.4
125.00034	4.8
125.09618	14.1
129.06999	5.5
131.08589	9.8
133.06548	3.3
133.10107	13.0
135.08089	4.0
135.11693	10.8
137.09633	3.5
143.08614	4.9
145.10139	14.9
147.08051	6.4
147.11688	9.9
149.09656	5.0
149.13351	3.3
153.12750	5.0
157.10104	6.3
159.11757	9.8
161.09607	6.9
163.11203	10.6
169.10269	2.9
171.11708	3.1
173.13274	4.5
175.11165	4.2
181.12292	4.6
184.07343	25.5
185.13353	3.2
189.11205	14.6
191.10648	3.8
193.12263	5.5
223.13350	5.7
227.12817	14.4
255.17592	3.5
261.22159	6.4
273.18463	22.5
275.20013	3.3
283.55881	2.5
289.11398	2.7
291.19540	53.9
292.19995	3.8
309.20493	7.1
335.25790	100.0
336.26151	6.9
347.22171	5.3
365.23233	28.2
366.23322	3.0
383.24283	16.1
484.34830	2.9
625.44647	34.1
626.44531	4.5
643.45557	34.4
840.49335	3.2
841.46564	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	841.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09445	0.2
69.09830	0.2
70.55914	0.3
70.56238	0.3
71.04980	0.2
74.02448	0.5
79.01861	0.3
85.02889	0.5
87.44076	0.2
89.82966	0.2
91.05465	1.2
113.05949	0.2
115.05438	1.5
117.05757	0.7
117.06976	1.0
118.06541	18.2
119.06865	0.8
130.06516	1.2
131.07138	0.3
132.08093	5.4
142.06511	2.1
143.07304	2.2
144.04424	0.5
144.08083	11.7
145.08444	0.4
146.06003	59.5
147.06358	2.2
149.08109	0.4
153.01830	3.4
153.02940	0.2
155.05981	0.3
159.09171	5.7
160.07568	1.3
170.06000	4.6
171.06296	0.3
184.93828	0.2
188.07060	100.0
189.07411	4.1
205.09720	33.3
206.10017	1.1
223.37817	0.2
276.11679	0.3
353.15698	0.2
434.25403	0.2
449.07297	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	841.4705
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02936	3.1
65.03948	0.6
67.05511	6.3
67.25673	0.3
69.02389	0.8
69.02794	2.3
69.03437	2.8
69.07076	5.6
69.33843	0.3
71.01361	0.5
71.05009	0.8
73.02933	2.1
76.74335	0.4
79.05499	7.1
81.03430	2.1
81.07064	7.9
81.07528	0.5
83.05003	1.1
83.08624	2.0
85.02927	2.7
86.09675	1.9
91.03979	1.4
91.05479	5.3
92.05829	0.5
93.07040	5.1
93.07564	0.5
94.07377	0.6
95.01344	0.6
95.04997	1.6
95.08615	4.2
97.02901	3.4
97.06555	1.5
97.10208	1.6
98.22543	0.7
99.04475	0.6
99.08099	0.4
101.02407	1.5
101.23772	0.4
105.07040	5.2
107.04959	1.7
107.08600	3.0
109.02886	0.7
109.06557	1.0
109.10183	1.6
111.04528	0.4
111.08128	0.7
117.07056	1.5
119.08595	3.6
121.10130	2.0
125.00038	1.5
125.09667	1.2
127.03957	0.9
129.05530	0.4
129.07037	0.9
131.08582	2.3
131.94078	0.4
132.08981	0.4
133.10139	2.5
135.08052	0.6
135.11740	1.4
137.09669	0.5
143.08614	0.4
145.10191	1.5
147.08163	0.6
147.11736	1.1
149.09659	1.0
149.13322	0.9
159.11736	0.9
160.12032	0.5
161.13409	0.5
163.11279	1.0
165.12767	0.5
173.13234	0.5
179.14355	0.9
183.11810	0.4
184.07367	5.2
184.08952	0.4
185.04268	0.7
203.05365	0.5
223.13283	1.9
229.14296	0.5
243.08466	2.7
269.17633	0.5
273.18478	0.4
275.19998	1.8
276.20444	0.7
277.21591	0.5
278.21985	0.5
285.18439	0.4
291.19528	2.0
293.20889	0.5
301.09058	0.7
315.19366	2.0
331.19022	0.4
335.25922	1.5
349.24066	0.8
350.24240	0.6
351.25195	0.4
364.60907	0.5
367.24985	0.4
371.21915	1.0
529.39398	0.4
533.27136	7.1
534.27362	0.5
544.37408	0.6
546.38647	0.8
549.26733	8.2
549.34778	0.7
550.27362	0.6
616.93707	0.4
625.44489	0.5
626.44897	1.2
627.46204	0.7
644.45313	0.7
823.46625	0.4
841.47064	100.0
842.47351	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	842.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07415	0.2
60.08164	6.5
61.02934	0.3
67.05511	1.8
68.05839	0.2
69.07071	0.8
71.04972	0.2
71.07378	4.2
71.08627	0.3
79.05500	1.3
81.03447	0.2
81.07060	2.6
83.04986	0.5
83.08622	0.7
86.09709	31.7
87.10052	0.7
91.05484	1.3
93.07069	1.4
95.04974	1.7
95.08608	1.1
97.06539	0.4
98.23457	0.4
98.98467	4.4
104.10743	3.1
105.07027	1.5
107.04952	0.4
107.08587	1.0
109.06546	0.3
109.10165	0.7
111.08085	0.3
117.07005	0.5
119.08604	0.8
121.06518	0.9
121.10146	0.5
123.08052	0.3
123.11728	0.3
125.00008	22.8
131.08572	0.6
133.10120	0.8
135.08014	0.3
135.11723	0.3
143.01038	0.3
145.10158	0.7
147.11678	0.5
149.09648	0.5
151.11183	0.2
159.11681	0.4
163.11211	0.7
184.07347	100.0
185.07701	2.1
189.11252	0.3
223.13345	0.5
254.37996	0.2
261.18497	1.2
272.73602	0.2
275.20010	1.0
279.19504	0.4
293.21237	0.6
335.22122	0.8
342.57455	0.2
349.23602	0.6
353.23206	0.8
367.24899	1.0
410.77295	0.2
503.64816	0.2
550.31042	0.3
566.30176	0.3
568.87189	0.2
609.41229	0.5
627.42419	1.0
645.43365	0.9
704.44647	0.2
737.41235	0.3
738.40955	1.6
775.88300	0.3
810.80164	0.2
824.49371	0.5
825.49292	0.2
842.51941	5.3
843.52325	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	842.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62029	5.4
67.05508	80.3
69.03451	7.4
69.07082	29.3
69.24085	33.2
69.24504	12.8
69.44728	5.9
69.72765	6.0
77.93283	5.6
79.05495	38.6
81.03435	12.6
81.07058	100.0
83.04988	18.4
83.08617	28.6
86.09717	8.6
87.79843	6.8
90.29368	5.5
91.05492	28.6
93.07040	43.3
95.04967	22.0
95.08613	49.6
97.02916	9.1
97.06551	6.9
97.10173	32.0
105.07053	23.0
107.04966	10.1
107.08614	26.6
109.06522	7.5
109.10160	28.9
111.04457	13.4
111.08009	6.6
117.07025	8.4
119.08592	24.8
121.10127	12.0
121.59350	6.0
123.08065	32.2
125.09621	19.7
133.10120	19.1
135.11702	11.4
135.91249	6.2
145.10126	12.6
147.08101	13.8
147.11729	7.6
153.12718	8.5
159.11734	8.6
161.09717	10.3
163.11214	16.5
184.07347	20.0
189.11235	15.5
227.12822	14.1
273.18521	20.9
291.19571	53.4
337.27325	62.0
365.23306	37.1
383.24377	24.7
400.64182	7.7
627.45673	27.5
645.36835	9.2
645.46997	21.6
800.20013	6.9
842.46136	9.9
843.48676	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	6.8
67.05504	82.0
69.07063	24.9
69.08088	33.2
69.08518	27.1
75.69556	6.7
79.05486	37.3
81.03416	8.8
81.07060	100.0
83.04946	9.3
83.08617	24.8
91.05466	31.6
92.69804	6.9
93.07044	36.2
95.04960	17.2
95.08608	50.8
97.06554	10.7
97.10159	37.7
105.07023	21.5
107.04949	7.5
107.08587	26.1
109.06492	9.5
109.10126	19.8
111.04408	12.3
117.07043	10.5
119.08597	20.5
121.10136	16.1
123.08046	16.9
123.11687	7.5
125.09592	18.6
129.07019	9.4
131.08542	12.0
133.10146	18.4
135.08084	6.8
135.11716	10.0
139.72612	6.1
145.10149	19.6
147.08081	10.8
147.11661	10.7
159.11711	8.3
163.11212	20.2
182.13443	6.8
184.07365	26.1
189.11261	16.7
227.12721	13.0
240.62337	7.9
273.18610	36.5
283.52393	6.8
291.19550	89.6
309.20828	9.0
337.27353	66.4
338.27463	11.8
365.23312	36.7
383.24255	21.9
418.06058	7.8
496.33951	8.1
627.45709	33.6
645.47003	29.9
843.48175	64.4
873.89203	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	842.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	1.9
60.08155	4.2
61.02923	6.0
65.03942	3.3
67.05506	77.7
67.76159	1.5
68.05826	1.8
69.03423	4.7
69.07074	19.7
69.19091	1.4
69.90943	5.5
71.04978	4.7
71.25537	1.3
73.02909	2.1
79.05499	42.9
81.03438	4.3
81.07061	63.4
82.07409	2.5
83.04991	4.0
83.08611	12.3
84.91171	1.8
85.02899	3.9
85.06532	4.0
86.09706	19.6
91.03942	2.1
91.05481	30.0
93.07046	40.7
95.04980	7.1
95.08612	39.4
97.02895	4.3
97.06525	6.0
97.10165	6.2
98.98489	3.7
101.02394	1.9
101.55635	1.4
104.10725	1.5
105.07031	25.1
107.04950	3.9
107.08595	28.8
109.06510	4.4
109.10158	31.3
111.08054	3.2
117.07016	8.5
119.08578	19.0
121.06520	4.5
121.10150	19.6
122.10514	1.5
122.16360	1.6
123.08112	2.7
123.11728	5.6
125.00007	13.6
125.09631	4.3
125.36617	1.3
129.07007	1.9
131.08559	12.5
133.10118	17.1
135.08055	1.8
135.11682	11.0
137.09590	2.2
143.08598	3.4
145.10135	10.3
147.11693	10.8
148.12109	1.5
149.09642	5.1
149.13242	7.2
155.10683	1.7
157.10095	2.6
159.11678	9.7
161.13271	4.1
163.11241	2.5
163.14813	1.9
171.11601	2.1
173.11743	4.4
173.13260	4.1
183.11597	1.8
184.07356	78.2
185.13187	1.5
189.41307	1.5
195.13750	1.9
227.12798	7.4
229.14365	27.6
229.19704	1.9
239.18051	2.8
243.08377	4.3
243.21062	3.0
259.20587	2.6
261.22134	7.3
269.17535	10.0
275.20044	16.3
276.20526	2.4
283.89056	1.4
293.21075	2.7
305.43286	1.5
309.54730	1.4
310.01740	1.6
315.19287	2.1
317.24551	1.6
335.25784	53.4
336.25974	3.0
349.23660	11.7
367.24780	10.3
489.35822	13.1
507.36710	2.4
529.39020	21.0
530.39069	2.4
533.27026	5.1
549.26849	2.2
551.28088	3.0
609.45105	11.8
627.46198	9.3
647.33411	2.0
832.16547	1.8
842.46991	6.3
843.48645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08757	9.0
75.53888	1.3
87.41832	1.2
90.06411	1.2
91.05486	1.8
98.22700	2.1
109.02884	1.5
117.03460	1.4
119.04961	2.6
137.06013	1.2
145.02898	5.6
147.04434	4.3
151.07477	1.4
177.05522	7.6
192.84879	1.1
219.66428	1.4
329.08154	1.6
335.67111	1.3
343.07883	9.5
379.09979	2.3
406.75089	1.3
537.13806	8.4
553.86835	1.4
555.14764	46.8
556.15131	5.6
599.51251	1.3
719.42542	1.4
747.64081	1.2
783.20331	2.0
843.23071	100.0
844.23364	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	843.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16185	0.3
81.03428	1.1
89.03936	1.2
91.93347	0.4
97.02923	0.6
99.04458	0.3
109.02882	1.4
110.44253	0.4
117.03391	2.9
127.03898	1.6
145.02841	7.5
146.03255	0.6
147.04439	1.1
149.02151	0.5
149.06042	0.8
177.05479	8.6
178.05832	0.5
213.03513	0.3
269.06393	0.7
289.06760	0.3
329.08359	2.3
343.07910	11.3
344.08395	0.6
379.10025	0.5
439.13388	0.3
537.13745	11.0
538.14087	0.7
555.14764	3.8
783.21204	1.8
843.23157	100.0
844.23480	15.0
844.39899	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	843.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	8.4
61.48377	0.5
61.87746	0.5
67.05509	5.8
69.03441	3.9
69.07079	1.6
71.01330	0.9
71.04990	1.3
71.28210	0.6
73.02926	5.7
79.05497	3.4
81.03423	4.2
81.07069	6.3
83.04981	1.3
83.08637	1.9
85.02904	8.1
91.03966	3.7
91.05489	4.1
93.07050	4.6
95.04956	1.4
95.08615	1.6
97.02895	8.0
97.06576	1.1
99.04469	1.3
101.02386	2.6
103.81775	0.5
105.07055	2.5
107.08614	2.2
108.15384	0.5
109.02908	1.1
109.10219	0.9
111.04459	0.7
111.08083	1.1
113.46928	0.6
116.06329	0.7
117.07056	1.5
119.08592	1.2
121.06537	2.1
121.10161	1.6
122.06813	0.6
123.08074	0.7
127.03937	1.9
129.07051	0.7
131.08598	0.7
133.10136	1.9
135.11732	0.9
147.08209	0.5
147.11720	1.1
149.09573	0.8
149.13275	2.6
157.10197	0.7
159.11673	0.5
160.05582	0.6
165.12723	0.5
175.11180	0.6
185.04256	0.7
193.12354	1.0
199.11119	0.6
203.05347	0.9
211.13376	0.8
235.13255	1.0
243.08394	3.0
251.12675	1.1
269.17401	0.9
301.09030	0.9
347.09482	3.4
363.08926	0.6
365.10986	1.0
405.13770	5.5
453.20944	9.9
453.26953	0.8
454.20602	0.7
469.20505	6.8
470.21002	0.7
488.35822	0.6
501.22986	0.8
615.26105	7.6
616.26495	0.8
631.25671	4.5
631.34564	0.8
681.34503	3.1
739.38141	1.0
843.39929	100.0
844.40271	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	843.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.4
67.05511	5.7
69.03437	2.9
69.07070	1.8
71.05009	1.0
71.28931	0.9
73.02922	4.9
79.05514	4.4
81.03426	5.2
81.07049	5.2
83.05001	1.6
83.08633	1.7
85.02914	6.1
86.03210	0.7
91.03953	3.6
91.05469	3.8
93.07055	4.3
95.04976	1.7
95.08627	1.9
97.02894	7.9
97.06516	1.0
99.04462	0.8
101.02397	2.0
105.07039	2.3
107.04975	0.8
107.08607	2.1
109.02886	0.7
109.06505	0.7
109.10188	1.4
115.03934	0.8
117.07005	0.8
119.08586	1.5
121.06516	2.3
121.10146	1.1
127.03974	2.6
131.08612	2.1
133.10191	1.6
135.11687	1.5
149.13301	1.2
159.11743	1.4
175.11194	1.0
178.28082	0.8
185.04356	1.1
189.94124	0.6
193.12431	0.9
196.63893	0.6
243.08453	2.9
251.12721	1.3
267.16010	0.7
291.15833	0.7
298.42310	0.7
301.72534	0.8
347.09518	1.9
365.10626	1.3
405.13849	5.0
453.20966	8.4
469.20605	6.1
615.26202	8.0
616.26398	0.9
631.26172	4.4
681.34515	1.3
811.40106	0.9
843.39868	100.0
844.40326	12.4
855.03339	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	843.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47743	1.2
67.17385	1.3
67.96535	1.2
69.25327	9.2
78.64494	1.1
93.06995	1.4
97.70336	1.2
98.22635	2.5
243.33279	1.3
262.11420	1.2
269.69177	1.2
285.10016	1.7
458.89569	1.5
464.35223	1.2
480.56522	1.5
517.20532	1.4
843.41357	100.0
844.41608	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	843.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	1.5
61.02940	3.0
61.15701	0.9
63.61712	0.8
65.03954	0.7
67.05503	6.9
67.98222	0.7
69.03437	3.5
69.07069	3.9
69.22830	1.5
69.23228	4.5
71.05006	0.9
73.02930	2.9
79.05488	5.0
79.46813	0.7
81.03432	2.0
81.07055	9.9
82.07391	0.8
83.08638	1.0
85.02925	3.2
86.09709	5.6
91.03974	1.8
91.05491	4.8
93.07053	4.9
95.04946	1.1
95.08627	3.3
97.02905	2.8
97.06565	1.2
101.02361	1.1
105.07047	4.3
107.04962	1.8
107.08562	3.5
109.06545	1.6
109.10181	1.8
115.70831	0.8
117.07065	1.6
119.08601	3.1
121.10145	2.0
125.00016	3.5
131.08582	1.9
133.10123	1.4
135.11723	1.0
145.10176	1.1
145.24387	0.7
147.11703	1.8
184.07336	15.0
185.07695	1.9
241.06944	0.9
243.08461	3.0
275.20224	1.0
315.19470	1.6
333.20535	1.7
335.25934	1.6
375.76089	0.8
530.39209	1.0
533.27252	6.4
535.29016	2.4
549.26886	1.5
551.28094	5.5
688.36041	0.8
843.48578	100.0
844.48846	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	0.8
64.90847	0.3
67.05508	3.1
69.03436	1.2
69.07085	1.4
69.55162	1.3
71.05019	0.3
73.02930	0.6
79.05482	2.4
81.03431	1.4
81.07058	5.2
83.04988	0.5
83.08639	0.8
85.02898	0.6
85.06555	0.4
86.09714	4.1
91.05498	1.8
93.07033	1.8
95.04984	0.7
95.08624	2.8
95.63319	0.3
97.06557	0.5
98.22707	0.6
98.98459	0.7
99.04495	0.5
99.08118	0.4
101.02389	0.3
104.10746	0.3
104.29314	0.3
105.07031	1.7
107.05007	0.3
107.08617	1.7
109.02901	0.7
109.06532	0.8
109.10189	1.0
117.07026	0.7
119.08547	1.5
121.10171	0.8
123.04208	0.6
123.11751	0.8
125.00012	2.4
127.03974	0.3
131.08600	0.7
133.10187	1.0
135.11690	0.8
147.11751	1.0
149.09642	0.4
149.13380	0.4
159.11681	0.3
169.04741	0.6
173.13303	0.4
184.07355	12.2
196.12270	0.3
263.12573	0.4
275.20041	0.5
289.14050	0.6
333.20383	2.8
337.27563	0.3
339.48831	0.3
347.14883	0.7
349.32529	0.3
359.22485	0.3
405.23080	0.4
417.22769	0.5
422.48608	0.3
477.24551	3.0
489.28555	0.4
505.27689	1.7
533.27222	7.7
534.27502	0.6
535.29138	1.2
537.23242	0.3
568.58148	0.3
605.29315	2.0
606.30023	0.5
607.30963	0.4
611.35760	1.3
619.31207	0.7
628.46625	0.5
633.32678	0.4
647.34222	0.4
657.36029	0.5
661.35669	0.6
715.40265	3.4
716.40802	0.5
745.41333	0.8
773.40924	0.6
794.47186	0.4
843.48572	100.0
844.48895	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	843.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08185	2.2
60.23024	0.4
61.02924	4.0
67.05502	4.7
69.03452	2.1
69.05792	0.4
69.07088	1.6
71.07389	1.3
73.02925	2.6
79.05489	4.9
80.52042	0.4
81.03424	1.6
81.07058	6.4
83.04995	1.4
83.08627	1.5
83.69653	0.4
85.02901	3.5
85.06577	0.5
85.51302	0.5
86.09705	13.5
87.10043	0.9
91.03965	1.5
91.05481	3.3
93.07056	3.6
95.04986	1.4
95.08611	2.2
97.02901	2.0
97.06521	0.6
97.10213	0.7
98.98454	2.6
99.04469	0.9
101.02361	1.1
104.10762	1.5
105.07043	3.5
107.04980	1.2
107.08601	3.0
109.06549	1.3
109.10197	1.7
111.04479	0.6
111.08078	0.5
117.07057	1.2
119.08602	2.3
121.06527	1.4
121.10158	2.5
123.08124	0.5
123.11726	0.4
125.00011	11.4
126.00383	0.6
127.03938	0.9
131.08603	1.6
133.10179	1.6
135.08109	1.3
135.11742	1.2
136.06183	18.4
136.13258	0.4
143.08606	0.6
145.10161	2.0
147.11742	1.2
149.09695	1.6
159.11697	0.5
163.11244	1.1
171.11871	0.5
173.13353	0.6
184.07346	40.6
185.04108	0.5
185.07681	4.2
243.08461	3.1
275.20203	1.6
291.19662	0.5
301.09000	1.1
315.19418	0.7
330.19278	2.2
331.18982	0.9
333.20578	1.0
335.25922	0.5
363.37842	0.4
373.11505	0.4
383.16757	0.4
387.21790	0.5
404.22946	0.6
533.27264	3.6
535.28925	1.3
549.26465	3.2
551.28259	4.3
625.40845	0.8
648.29639	0.5
681.43732	1.6
682.45404	9.3
690.10815	0.5
808.33002	0.5
825.51501	0.6
843.48621	100.0
844.49109	21.2
867.89111	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	843.5225
Annotation	Spiramycin 1
Peak:m/z	Relative Intensity
61.02922	5.6
67.05507	7.2
69.03441	3.1
69.07065	1.7
71.05006	2.1
72.09536	1.0
73.02927	4.4
75.14404	0.9
79.05507	3.6
81.03443	1.0
81.07056	8.2
83.08622	1.1
85.02906	5.5
86.09692	1.2
91.03974	2.2
91.05496	4.2
93.07072	4.4
95.04990	1.5
95.08640	5.4
97.02898	4.3
99.04450	1.5
101.02411	2.4
104.29786	0.8
105.07056	2.2
107.08613	2.9
109.06548	1.3
109.10156	1.6
113.09659	0.9
119.08602	1.7
121.10145	2.4
125.00038	1.3
133.10167	1.2
135.11702	1.1
136.83434	1.0
147.11769	0.9
168.33032	0.9
184.07375	7.4
195.06825	1.0
210.62073	0.9
237.25734	0.9
243.08469	3.6
347.21851	5.4
348.22345	1.3
406.88074	1.1
481.20807	3.3
519.29425	7.7
565.29779	4.4
843.52295	100.0
844.52795	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	843.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.2
67.05511	5.7
69.03430	2.6
69.07079	1.6
73.02916	2.6
75.05786	1.0
79.05479	3.8
81.03435	1.3
81.07079	5.4
82.07392	1.1
83.08614	1.7
85.02899	5.0
91.03941	2.2
91.05465	2.0
93.07041	5.5
95.04968	2.3
95.08609	3.9
97.02892	3.7
97.06520	0.9
101.02359	1.4
105.07033	1.9
107.08583	1.8
109.10159	1.5
117.07031	1.4
119.08595	1.8
121.10133	1.5
127.03899	1.5
133.10129	1.2
135.11673	1.0
143.08586	0.9
145.10072	1.3
184.07372	4.0
243.08420	2.6
347.22089	2.1
351.47522	0.9
519.29382	9.2
565.29620	3.0
843.52423	100.0
844.52679	15.4
863.78271	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	844.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43455	0.2
62.96232	0.2
69.03440	0.7
73.28842	0.2
75.53399	0.2
77.24846	0.2
79.01853	3.8
81.03414	1.6
81.82032	0.2
82.70241	0.2
85.02916	0.4
85.24456	0.2
91.05505	0.8
94.04173	0.4
95.04981	0.2
97.02896	1.7
98.23452	0.4
103.05473	5.4
105.07066	0.2
107.01350	1.0
107.04980	0.5
109.02906	0.8
109.06538	0.2
114.28228	0.2
115.05481	0.7
117.07030	0.8
119.04947	0.3
121.06522	0.9
122.03684	1.0
125.02355	2.3
127.03916	1.1
128.06200	1.9
129.07030	0.2
131.04932	10.5
132.05339	0.3
133.06508	0.4
136.06128	0.3
137.05977	8.0
138.06366	0.3
139.03859	0.3
143.03407	5.2
143.08569	3.5
145.06485	0.3
147.04471	0.6
147.08017	0.3
149.09639	0.3
151.07552	0.9
153.01834	100.0
153.02827	4.6
154.02170	2.3
155.06049	0.2
157.06516	0.3
160.05252	0.3
161.05934	0.6
162.06683	0.2
163.07547	32.0
164.07903	1.0
165.07031	0.2
171.02939	1.1
171.08055	4.8
172.08513	0.3
174.06731	0.2
175.07558	6.4
176.07953	0.3
177.07602	0.3
177.09129	5.6
178.78647	0.2
188.08409	0.2
189.09009	0.4
194.68649	0.2
203.10675	3.7
210.46420	0.2
221.06020	0.3
221.09845	0.2
221.11749	0.8
238.09966	0.2
241.94002	0.2
253.08513	0.2
253.12227	0.3
265.08679	0.2
267.09967	0.2
285.06146	0.3
285.11154	0.2
297.06036	0.7
297.11069	0.3
299.12558	0.4
301.06897	0.2
301.95920	0.2
313.14301	0.7
315.07053	1.0
325.14258	0.4
327.15662	0.5
329.09897	0.5
343.14697	0.3
359.11359	0.4
371.11279	0.2
373.12814	10.8
374.12897	0.7
427.78839	0.2
479.16415	0.2
483.10455	0.2
483.16486	3.4
484.16409	0.2
495.16077	0.6
553.45038	0.2
778.83472	0.2
844.28735	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	844.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07376	0.2
60.08168	6.1
67.05517	0.5
67.55274	0.1
69.07061	0.1
69.10034	0.6
70.06610	0.1
71.07378	4.2
79.05486	0.3
81.03416	0.2
81.07047	0.5
83.04965	0.1
83.08605	0.1
84.90085	0.1
86.09710	31.7
87.10035	0.4
91.03955	0.1
91.05485	0.3
93.07044	0.3
95.04987	0.1
95.08587	0.2
98.98466	4.2
104.10746	2.6
105.06998	0.2
107.08588	0.2
109.10133	0.1
117.07070	0.1
119.08565	0.2
121.06519	0.3
121.10129	0.2
125.00008	22.0
126.00336	0.2
133.10118	0.1
136.06183	1.0
143.01048	0.3
147.11723	0.1
166.02591	0.1
184.07349	100.0
185.07701	1.7
235.05220	0.1
237.17094	0.1
281.69867	0.1
330.19516	0.1
337.59839	0.1
342.30875	0.1
552.32953	0.1
682.45923	0.8
826.52087	0.4
844.53156	5.4
845.53601	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	844.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07392	0.2
60.08163	6.0
67.05493	0.5
69.03419	0.2
71.07374	4.3
71.28710	0.2
79.05501	0.3
81.07036	0.5
82.07288	0.2
86.09705	33.4
87.10029	0.4
91.05481	0.4
93.07079	0.2
95.04945	0.2
95.08623	0.2
98.98460	4.3
101.19962	0.2
104.07131	0.3
104.10744	3.2
105.07008	0.4
109.10117	0.2
116.99511	0.2
120.15480	0.1
121.06493	0.6
125.00003	22.0
136.06183	0.5
143.01105	0.2
174.92812	0.2
184.07339	100.0
185.07722	1.6
192.00543	0.1
196.97108	0.1
221.17320	0.1
242.33620	0.2
245.09840	0.2
275.20248	0.2
335.26077	0.2
348.81555	0.2
351.14307	0.2
413.05362	0.2
522.61346	0.2
682.45984	0.8
819.64978	0.2
826.52710	0.5
844.53314	5.6
845.53406	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	845.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82055	0.4
59.04982	0.8
61.02930	5.3
67.05504	4.0
69.03428	3.6
69.07070	1.3
70.02460	0.6
70.02803	1.0
71.04992	2.5
73.02897	2.8
79.05497	4.6
81.03424	5.3
81.07057	6.3
82.07379	0.4
83.04980	1.2
83.08623	1.5
85.02904	4.7
86.09711	1.7
91.03954	2.4
91.05474	3.8
93.07050	4.0
95.04974	1.9
95.08607	1.9
97.02900	3.9
97.06527	1.1
97.10174	0.6
98.22663	0.5
99.04515	0.8
101.02368	2.2
105.07021	3.4
107.04972	1.3
107.08614	1.5
107.46738	0.5
109.06535	0.9
109.10163	1.0
111.08092	1.2
117.07025	0.5
119.08591	3.0
121.06515	1.1
121.10160	2.4
123.08089	1.6
125.00032	1.0
127.03947	1.2
129.06969	1.0
131.08589	2.7
133.10187	1.9
135.08092	0.9
143.08604	0.5
145.10170	1.4
147.08110	0.8
147.11719	1.1
149.09662	1.9
150.21855	0.4
157.10222	0.9
159.08136	0.4
159.11691	0.5
163.11240	0.8
175.11243	1.5
184.07388	4.1
185.04338	0.6
185.07808	0.5
193.12317	1.9
203.05286	0.6
204.64322	0.5
225.14935	0.6
243.08473	2.7
249.11031	0.6
265.86758	0.4
267.15915	1.1
268.16345	0.9
283.15176	3.4
291.19473	0.6
301.17694	0.6
331.18942	1.7
339.17740	1.1
361.95859	0.5
379.43063	0.5
401.92993	0.6
469.20673	0.8
501.23044	13.3
502.23929	1.2
549.26611	4.6
550.27148	0.5
565.53314	0.5
585.24084	4.6
741.36774	1.4
809.42737	2.0
845.40515	100.0
846.40759	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	2.6
67.05527	1.9
69.21619	12.8
78.72424	1.5
81.07071	2.1
86.09700	15.5
90.73564	1.5
108.66249	1.5
112.11937	1.9
120.80647	1.4
124.99999	8.2
125.58144	1.7
184.07339	41.9
185.07774	2.4
368.05331	1.8
845.48041	100.0
846.48413	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	845.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10386	1.7
86.09705	0.8
146.58432	0.6
184.07350	2.6
205.17865	0.7
535.26147	0.9
622.12543	0.7
659.76154	0.7
735.31696	0.6
845.48090	100.0
846.48376	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79845	0.4
59.90286	0.4
60.08171	0.8
63.95031	0.4
67.05516	0.7
71.07397	0.6
81.07072	0.5
85.02930	0.5
86.09690	4.0
93.17529	0.4
93.39629	0.4
94.70060	0.4
98.22565	1.0
98.98458	0.6
107.52022	0.4
125.00021	2.6
159.07089	0.5
184.07350	13.5
184.08920	0.8
185.07732	0.5
207.66437	0.4
229.49466	0.5
255.50952	0.4
312.12613	0.4
355.51538	0.5
535.26794	0.8
543.48212	0.5
567.25952	0.9
645.02124	0.4
845.48102	100.0
846.48315	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	0.6
61.02928	3.5
67.05504	4.1
69.03439	2.4
69.07071	2.3
71.01414	0.3
71.05015	0.6
71.07357	0.5
73.02921	3.3
76.36980	0.4
79.05493	3.7
81.03435	1.3
81.07063	5.6
83.04980	0.5
83.08614	0.8
85.02892	3.9
85.21247	0.3
86.09711	2.7
91.03964	1.8
91.05481	4.1
93.07051	4.6
93.24816	0.4
95.05023	1.1
95.08603	2.8
97.02878	4.0
98.22556	0.8
99.04494	0.8
101.01796	0.3
101.02418	1.3
104.10741	0.4
105.07030	3.4
105.07595	0.3
107.04983	0.5
107.08593	1.9
109.02874	0.4
109.06535	0.5
109.10175	1.0
117.07033	0.9
119.08588	2.3
121.10190	1.6
123.62821	0.4
125.00015	1.8
125.09616	0.4
127.03970	1.5
129.05608	0.4
129.07060	0.7
131.08629	1.4
133.10146	2.2
135.08072	0.4
135.11728	0.5
143.08636	0.5
145.10179	1.2
147.11740	1.6
149.13385	0.5
159.11722	0.6
161.13319	0.6
163.11192	0.5
168.92432	0.4
184.07336	7.7
185.04250	0.9
185.07741	0.7
186.37289	0.4
243.08418	3.4
262.32843	0.4
275.20236	0.6
286.99060	0.8
301.08972	1.7
302.12790	0.4
315.10526	0.7
333.20386	2.7
373.23569	0.4
389.23038	0.7
423.20239	0.9
439.22842	0.5
465.21463	0.5
483.22363	0.5
484.07614	0.4
535.28778	6.9
536.28949	0.7
551.28284	7.8
552.28723	0.6
623.30591	1.3
651.33612	0.6
717.42963	0.5
750.25311	0.4
819.68872	0.5
845.50122	100.0
846.50500	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.7
62.20846	1.7
67.05512	4.1
69.03438	2.8
71.07414	1.6
73.02931	4.4
79.05495	4.6
81.07079	4.7
85.02906	3.7
86.09729	5.2
91.03942	2.2
91.05497	3.7
93.07077	5.5
95.04984	2.1
95.08627	2.3
97.02921	4.9
98.22647	4.1
101.02360	1.7
103.68906	1.7
105.07069	2.5
106.72752	1.7
107.08636	4.1
109.10165	1.6
113.06023	1.9
119.08604	3.6
124.99991	3.1
131.08595	2.5
145.10207	2.3
147.11749	1.9
184.07358	19.1
185.07730	2.3
185.37593	1.4
228.84499	1.9
243.08424	4.0
244.89284	1.6
280.00980	1.7
333.20236	2.4
535.28900	6.0
538.45142	1.8
551.28424	6.1
622.70044	2.0
627.32581	1.6
845.50177	100.0
846.50531	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.4
67.05505	4.7
69.03443	2.8
69.07075	3.2
71.04999	0.6
73.02930	3.7
79.05499	5.3
81.03437	1.9
81.07066	5.6
83.04990	0.8
83.08627	1.3
85.02904	4.6
86.09705	0.9
87.04503	0.5
91.03950	2.5
91.05482	5.1
93.07053	4.6
95.04973	1.0
95.08614	3.0
97.02895	4.1
97.06567	1.0
98.23415	0.7
99.04497	0.9
101.02396	1.6
105.07039	3.3
107.08602	2.3
109.02901	0.9
109.06538	0.8
109.10175	1.2
117.07024	1.2
119.08582	2.2
121.10184	1.6
125.00053	0.9
127.03955	1.3
129.05527	0.5
131.08603	1.1
133.10175	2.0
135.11717	1.5
145.10167	1.3
147.11714	1.3
149.13297	0.7
163.11163	0.6
168.95079	0.4
173.52536	0.5
177.12767	0.5
184.07324	2.5
185.04231	1.0
203.05295	0.7
204.26648	0.5
243.08418	4.1
301.09048	1.3
315.10706	1.4
317.21014	0.6
333.20386	2.9
357.15155	0.6
369.15384	0.4
373.11084	0.7
389.34195	0.5
439.19479	1.0
447.35550	0.4
465.21420	0.5
469.20474	0.9
534.27722	0.5
535.28790	6.8
551.28467	8.0
552.29248	1.1
553.28839	0.6
623.30823	1.0
734.84637	0.6
845.50049	100.0
846.50385	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	0.4
61.02933	6.6
62.21068	0.4
63.87035	0.5
65.03963	0.4
65.80014	0.4
67.05508	5.7
69.03436	3.2
69.07074	2.0
71.01357	0.8
71.04983	0.6
73.02918	4.4
79.05499	4.3
81.03423	1.9
81.07059	5.9
83.08629	0.9
84.09211	0.4
85.02911	5.0
86.09721	1.9
86.10178	0.4
87.04496	0.4
91.03968	3.5
91.05489	3.2
93.07056	4.6
95.05009	1.1
95.08608	3.5
97.02914	5.7
97.10187	0.8
97.36616	0.3
99.04463	0.6
101.02406	1.3
105.07068	1.7
107.08589	2.6
109.02910	0.8
109.10161	2.2
117.07063	0.7
119.08611	1.3
121.10157	1.3
123.08112	0.4
123.11801	0.4
125.00040	1.3
127.03949	1.6
131.08585	0.9
133.10178	0.7
135.11702	1.1
145.04990	0.4
145.10156	1.0
147.11740	0.5
149.13251	0.5
181.83667	0.4
184.07336	5.9
184.08693	0.5
185.04303	0.8
185.07736	0.8
203.05373	0.6
243.08446	2.7
301.09094	0.9
314.09665	0.4
315.10641	0.7
335.25995	1.0
349.19904	3.4
373.11230	0.5
429.17493	0.5
519.29358	10.1
520.29944	0.7
567.27692	2.8
591.31793	0.8
845.50177	100.0
846.50458	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.5
66.36349	0.4
67.05510	4.5
69.03431	2.8
69.07082	2.3
69.07402	0.4
69.08076	2.6
71.01352	0.5
71.04990	0.4
73.02917	3.6
79.05486	2.9
81.03423	1.7
81.07057	5.1
83.04984	0.5
83.08648	0.6
85.02913	4.5
86.09715	1.4
91.03957	3.1
91.05485	2.3
93.07051	3.4
95.04949	0.6
95.08607	3.3
97.02892	4.1
97.06569	0.4
97.10177	1.2
98.22649	0.7
99.04477	1.3
101.02399	1.5
103.03922	0.4
105.07024	1.5
107.08590	1.8
109.02898	0.5
109.10174	1.2
111.04469	0.5
111.08100	0.5
117.07014	0.4
119.08607	1.2
121.10120	1.5
123.08070	0.4
123.11697	0.4
125.00009	0.5
125.09692	1.0
127.03935	0.9
129.07053	0.4
131.08604	0.8
133.10153	0.6
135.11758	0.7
145.05020	0.4
145.10188	0.7
147.11742	0.4
153.12822	0.5
163.11194	0.3
184.07359	4.2
184.08736	0.4
185.04272	0.5
185.07794	0.7
208.82999	0.3
243.08389	2.9
287.75732	0.3
301.09131	0.7
335.25998	0.4
349.19879	2.0
369.15341	0.4
373.11429	0.4
440.14240	0.3
519.29364	5.9
519.36591	0.5
520.29980	0.6
553.46136	0.4
567.27704	7.4
568.28015	0.6
591.31744	0.8
643.88739	0.4
845.50189	100.0
846.50525	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.9
65.03941	2.0
67.05509	27.9
69.03437	0.9
69.07079	6.4
71.04988	1.9
73.02921	1.3
73.06558	1.1
77.03933	1.0
79.05498	46.6
81.03426	5.8
81.07063	24.5
82.07377	0.7
83.04987	7.1
83.08631	4.3
84.63764	0.6
85.02915	2.8
85.06538	2.1
89.58656	0.6
91.03955	1.0
91.05486	34.7
93.07050	44.7
94.07390	1.0
95.04980	12.6
95.08613	14.7
97.02885	2.0
97.06512	2.7
97.10165	3.3
101.56874	0.6
103.05486	0.8
104.56176	0.6
105.04514	2.3
105.07037	27.4
107.04956	4.3
107.08597	9.9
109.06522	2.9
109.10159	2.4
111.08121	1.1
115.05449	0.9
117.07037	5.7
118.07412	0.7
119.08589	15.5
121.06507	2.3
121.10167	2.5
123.08071	3.7
127.07571	1.5
128.06183	1.4
129.07034	10.7
129.07990	0.9
131.08595	2.3
133.06541	0.8
133.10144	6.3
134.45378	0.6
135.11711	1.8
138.03427	0.6
143.08574	5.4
145.05032	0.7
145.10124	7.5
147.08037	1.5
147.11694	24.3
156.09360	1.0
159.11728	1.3
161.09630	2.2
161.13261	7.8
163.11166	1.1
171.11703	16.5
172.11987	1.0
184.07327	0.8
189.12743	8.7
207.13817	19.9
225.14935	1.9
263.16507	1.0
281.17484	47.4
282.17902	2.3
469.29672	2.1
487.30569	100.0
488.30957	9.9
631.35486	0.7
814.93616	0.8
846.53766	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	846.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07398	0.3
60.08167	7.1
61.02940	0.2
67.05487	0.5
69.07068	0.2
69.55494	0.4
69.55914	0.3
70.06584	0.2
71.06988	0.3
71.07375	4.8
73.02901	0.1
75.04984	0.1
76.65135	0.1
79.05486	0.4
81.03418	0.3
81.07050	0.5
83.08627	0.1
85.02930	0.1
86.09709	35.8
87.04436	0.1
87.10028	0.6
91.05454	0.3
93.07061	0.4
95.04943	0.2
95.08613	0.3
97.02911	0.1
98.23439	0.1
98.98468	4.4
98.99126	0.2
104.10751	3.2
105.07029	0.6
107.04929	0.2
107.08605	0.3
107.71590	0.1
109.10126	0.1
109.16910	0.1
113.43596	0.1
114.35576	0.1
119.08543	0.2
121.06529	0.2
125.00010	24.4
126.00346	0.1
133.10135	0.2
136.06207	0.4
138.03160	0.1
143.01047	0.3
149.09666	0.2
158.16925	0.1
184.07350	100.0
185.07703	1.8
313.35876	0.1
336.62408	0.1
344.08438	0.1
534.32458	0.2
552.33582	0.2
644.42603	0.2
684.46503	0.3
828.53577	0.5
846.54535	5.9
847.55743	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	847.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28210	0.5
91.05447	0.6
92.11642	0.5
121.06541	0.8
137.05992	1.2
142.05264	0.5
145.02873	0.5
175.03729	0.9
177.05305	0.8
188.41905	0.5
190.48047	0.5
191.07002	0.6
203.03140	0.9
204.03949	0.6
204.07689	0.6
205.04730	87.7
206.05061	2.9
215.06935	0.6
218.05507	9.2
219.06436	0.6
223.05873	0.7
232.07074	6.7
233.07809	0.8
246.07263	0.7
249.07381	0.9
415.13718	4.4
429.15182	7.8
576.51752	0.7
650.19727	5.9
651.20648	1.5
769.32983	0.6
847.27777	100.0
848.28149	16.2
870.00787	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	847.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28210	0.5
91.05447	0.6
92.11642	0.5
121.06541	0.8
137.05992	1.2
142.05264	0.5
145.02873	0.5
175.03729	0.9
177.05305	0.8
188.41905	0.5
190.48047	0.5
191.07002	0.6
203.03140	0.9
204.03949	0.6
204.07689	0.6
205.04730	87.7
206.05061	2.9
215.06935	0.6
218.05507	9.2
219.06436	0.6
223.05873	0.7
232.07074	6.7
233.07809	0.8
246.07263	0.7
249.07381	0.9
415.13718	4.4
429.15182	7.8
576.51752	0.7
650.19727	5.9
651.20648	1.5
769.32983	0.6
847.27777	100.0
848.28149	16.2
870.00787	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	847.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	6.2
67.05518	6.2
69.03441	4.3
70.38218	4.5
71.04993	1.4
73.02950	4.0
79.05486	2.6
80.42344	1.5
81.03452	1.4
81.07095	4.4
85.02937	4.5
91.03953	2.2
91.05492	3.2
93.07084	3.5
95.08648	5.1
97.02922	4.4
105.07082	1.5
107.08659	1.7
109.10165	1.9
119.08585	1.8
121.10234	2.7
123.85656	1.5
125.09663	1.5
129.07196	1.3
178.87021	1.5
184.07451	4.7
218.62128	1.5
243.08446	1.6
271.96924	1.3
351.21695	3.7
519.29639	6.3
569.29474	5.3
765.84204	1.6
847.51788	100.0
848.52203	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08183	1.2
61.02917	5.4
67.05508	6.0
69.03432	3.7
69.07064	1.7
73.02929	3.6
75.25790	1.0
79.05527	1.7
81.03425	1.9
81.07076	5.3
83.08683	1.2
85.02894	5.7
86.09706	6.0
87.78442	1.0
91.03983	3.1
91.05492	2.3
93.07092	2.5
95.08624	3.6
97.02910	3.9
97.06507	1.4
97.10193	1.7
97.31516	1.1
101.02412	2.3
105.07060	1.7
107.08619	1.8
109.10181	1.1
117.66956	1.0
119.08649	1.1
120.82601	1.2
125.00020	2.9
149.15375	1.1
161.93144	1.1
184.07361	14.2
243.08531	4.5
273.22787	1.0
521.30878	5.0
567.27924	7.6
593.33038	1.8
847.51715	100.0
848.51904	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	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57043	2.5
61.02924	9.8
65.03941	2.6
67.05506	97.3
69.03474	2.8
69.07050	5.4
69.64874	2.2
71.04969	2.5
71.31180	3.0
73.02905	2.9
79.05492	17.5
79.81980	2.3
81.07059	35.4
83.08612	9.2
85.02902	11.7
85.06545	4.4
86.09697	6.1
90.98318	2.4
91.03961	8.4
91.05482	13.1
93.07028	21.5
95.08601	25.9
97.02891	7.2
97.10136	2.6
105.07034	6.7
107.08592	15.2
109.10158	77.1
119.08570	10.5
121.10156	11.5
123.11742	2.8
125.00011	4.0
127.03862	2.1
133.10092	5.4
135.11705	7.0
137.09682	2.6
145.04982	4.2
145.10056	5.5
146.68704	2.2
147.11684	3.6
149.13251	4.5
151.50287	2.1
155.10680	3.8
161.13239	2.6
163.06085	5.3
163.14821	3.7
173.11783	23.1
173.13203	4.4
184.07364	20.1
187.14749	2.3
209.05048	2.3
227.12738	6.7
229.14346	100.0
230.14746	7.3
243.21107	4.6
261.22131	17.3
335.25803	66.9
336.26166	5.4
397.30997	2.9
471.34830	2.3
489.29257	3.9
489.35794	43.4
490.35733	3.2
507.36829	5.2
599.37628	2.6
804.84558	2.9
848.50439	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	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57043	2.5
61.02924	9.8
65.03941	2.6
67.05506	97.3
69.03474	2.8
69.07050	5.4
69.64874	2.2
71.04969	2.5
71.31180	3.0
73.02905	2.9
79.05492	17.5
79.81980	2.3
81.07059	35.4
83.08612	9.2
85.02902	11.7
85.06545	4.4
86.09697	6.1
90.98318	2.4
91.03961	8.4
91.05482	13.1
93.07028	21.5
95.08601	25.9
97.02891	7.2
97.10136	2.6
105.07034	6.7
107.08592	15.2
109.10158	77.1
119.08570	10.5
121.10156	11.5
123.11742	2.8
125.00011	4.0
127.03862	2.1
133.10092	5.4
135.11705	7.0
137.09682	2.6
145.04982	4.2
145.10056	5.5
146.68704	2.2
147.11684	3.6
149.13251	4.5
151.50287	2.1
155.10680	3.8
161.13239	2.6
163.06085	5.3
163.14821	3.7
173.11783	23.1
173.13203	4.4
184.07364	20.1
187.14749	2.3
209.05048	2.3
227.12738	6.7
229.14346	100.0
230.14746	7.3
243.21107	4.6
261.22131	17.3
335.25803	66.9
336.26166	5.4
397.30997	2.9
471.34830	2.3
489.29257	3.9
489.35794	43.4
490.35733	3.2
507.36829	5.2
599.37628	2.6
804.84558	2.9
848.50439	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	848.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	5.7
63.00529	0.2
67.05499	0.5
68.31665	0.2
71.07378	3.2
79.05499	0.3
81.07047	0.5
86.09709	28.4
87.10030	0.6
93.07050	0.3
95.08588	0.5
98.23368	0.6
98.98469	3.0
104.10731	2.0
108.11370	0.3
125.00009	19.0
150.54196	0.2
184.07350	100.0
185.07646	1.8
318.86993	0.2
351.58221	0.2
526.84479	0.3
676.45251	0.5
723.24902	0.3
730.50171	2.1
798.56439	1.3
812.57959	0.4
816.56293	0.4
848.46313	2.1
848.60614	1.0
849.48096	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	850.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99777	0.9
69.03432	3.8
69.20601	3.2
69.21004	1.1
69.61263	0.7
71.01350	0.7
71.04991	1.8
78.41007	0.8
79.05474	1.4
81.03419	37.6
82.03761	0.8
83.01331	1.4
85.02904	2.9
88.72579	0.7
89.03902	1.6
91.05466	1.0
97.02892	2.6
98.22636	1.6
99.04440	3.3
103.05464	0.9
105.03351	0.9
107.04927	1.5
109.02882	22.1
111.04443	0.8
117.03366	1.4
119.04929	1.9
121.02846	0.7
127.03915	51.9
128.04230	0.7
131.04906	2.0
133.02898	3.4
135.04440	3.5
137.02345	2.6
139.03865	1.0
141.01807	1.1
145.02840	3.0
147.04390	7.6
149.02406	1.4
151.03877	0.8
153.01866	2.4
153.79617	0.8
157.02863	1.6
157.30016	0.7
158.95079	0.8
159.04388	2.1
161.02351	3.1
162.02963	1.0
163.03915	14.0
165.01868	5.2
165.05545	1.6
173.02339	2.4
175.03857	5.4
177.01833	5.2
177.05475	1.9
179.03387	4.4
181.01311	1.9
181.04974	1.3
185.02370	1.4
187.03876	1.1
189.01833	8.1
190.02597	1.7
191.03392	41.3
192.00403	0.8
192.03741	2.0
193.01338	9.5
193.05054	1.6
195.02817	1.5
201.01820	6.5
203.03389	12.1
205.01299	6.7
205.04982	1.4
206.02193	0.9
207.02847	6.6
209.00790	0.9
209.04378	0.8
215.03476	1.9
217.01332	12.8
218.01935	4.3
219.02884	44.9
220.03247	2.1
221.00812	49.7
221.04424	3.7
222.01212	1.9
223.02414	5.4
224.03047	0.8
229.01274	3.6
231.02879	15.8
233.00795	17.5
233.04546	3.0
234.01465	1.5
235.02356	13.2
236.02855	0.8
237.03931	1.0
239.01852	20.1
240.02000	0.7
241.01239	1.1
245.00781	8.9
246.01573	2.3
247.02377	42.1
248.02768	1.8
249.03914	9.6
251.01910	1.8
257.00766	7.5
259.02356	16.4
261.03906	3.8
262.01074	3.1
263.01886	4.3
265.03427	4.9
271.99609	0.9
272.97382	0.8
273.00305	16.4
274.00873	2.4
275.01865	69.5
276.02203	4.4
277.03436	20.8
285.00192	2.5
287.01926	3.5
289.03479	2.8
291.01331	3.2
293.02896	7.3
300.99963	3.6
301.02991	0.9
303.01340	24.2
304.02069	0.8
305.02884	9.5
307.04541	0.9
315.01270	0.9
319.00830	20.4
319.04535	1.8
320.01273	1.4
321.02411	15.6
333.02380	19.2
334.02966	1.4
335.03906	2.8
337.01852	2.5
339.03461	100.0
340.03760	4.6
351.03494	1.0
353.05017	9.1
361.01871	1.6
363.03809	0.8
383.03757	1.0
405.04340	0.8
429.04550	1.5
441.04807	1.4
445.03943	5.1
447.05447	5.6
459.05530	2.7
463.04947	2.0
465.06741	4.3
477.06384	1.8
479.07999	0.9
697.05676	0.8
737.05664	1.1
765.04950	4.2
779.06958	1.9
782.93073	1.1
783.06665	15.0
784.06561	2.3
797.08179	17.1
798.07697	2.2
801.07617	8.2
802.07080	1.2
815.09424	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	850.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	1.6
69.03435	8.2
69.94117	4.8
71.01345	2.1
71.04973	2.3
73.08868	1.4
79.05497	1.6
81.03422	94.0
85.02911	2.5
91.05474	5.2
97.02904	8.4
98.23248	1.9
99.04449	5.0
103.05489	7.1
106.66685	1.2
107.04942	1.8
109.02119	3.1
109.02879	64.5
112.15147	1.4
115.03919	2.6
117.03431	1.6
119.04944	5.9
125.02306	1.3
127.03060	2.2
127.03928	27.4
129.03384	1.3
131.04941	12.6
133.02855	2.5
135.04419	2.5
137.02361	1.8
145.04990	1.6
147.04425	18.2
153.01808	6.6
157.02820	2.7
159.04414	20.0
161.02380	3.0
163.03917	14.9
165.01840	3.5
165.05453	3.8
167.03409	4.5
173.02365	3.3
175.03926	18.9
176.04623	4.1
177.01868	3.6
177.05486	12.3
178.02592	1.7
179.03391	6.8
181.01337	1.6
187.03934	4.5
189.01842	6.6
191.03397	24.1
193.01332	17.1
193.04941	7.2
193.81409	1.3
194.01990	1.4
201.01933	6.1
202.02718	2.6
203.03403	75.7
204.03868	3.6
205.01328	4.4
205.04982	9.9
207.02872	12.5
209.00821	2.6
213.01776	1.4
217.01337	16.8
217.04668	2.4
219.02914	33.5
220.03523	3.3
220.98671	1.9
221.00874	34.5
221.04417	33.2
222.01353	2.3
223.02342	2.5
229.01332	3.8
231.00575	2.8
231.02896	53.8
232.03246	2.2
233.00838	9.0
233.04404	2.2
235.02377	21.3
235.05972	7.4
245.00797	16.3
247.02390	40.8
249.03943	30.6
257.00879	4.9
259.02374	6.2
261.03894	4.4
263.02243	6.2
263.05515	11.7
265.03464	3.2
273.00287	13.9
275.01868	48.2
276.02161	2.2
277.03421	3.9
289.03372	3.7
291.01364	3.8
293.02893	13.5
299.77747	1.3
300.99731	4.4
303.01425	3.9
307.04413	6.0
319.00851	36.4
321.02405	38.9
333.02356	2.5
335.04022	20.6
337.01892	16.9
339.03476	100.0
340.03824	6.5
352.70898	1.3
353.05051	65.4
354.05286	2.4
401.51715	1.3
445.04001	35.1
446.04443	3.4
447.05408	3.2
463.05093	25.0
481.06125	5.2
737.06128	1.7
765.05243	6.7
783.06702	11.4
797.08447	10.0
798.07477	1.5
815.09497	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	850.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	6.5
71.01360	1.5
71.04991	1.5
79.05505	1.4
79.80091	0.9
81.03423	48.2
82.03754	1.8
85.02901	3.4
89.03903	1.2
91.05493	1.8
97.02903	2.9
98.23429	2.9
99.04446	4.5
102.58867	1.0
103.05449	2.1
107.04916	1.1
109.02128	1.4
109.02883	28.8
115.03944	1.5
117.03341	1.6
119.04952	3.6
122.82972	0.9
125.02284	1.5
127.03917	57.6
128.04210	1.4
131.04944	1.3
133.02847	4.0
135.04419	3.4
137.02328	2.5
145.02834	3.3
147.04440	7.4
149.02359	1.4
151.03925	1.1
153.01836	1.7
157.02878	2.2
159.04396	2.0
161.02354	4.0
162.03064	1.7
163.03899	16.9
165.01874	5.6
167.03406	2.1
173.02403	3.9
175.03862	6.6
177.01837	5.1
177.05420	1.4
179.03409	6.0
181.01344	3.1
181.05055	1.3
185.02411	1.3
187.03851	2.4
189.01842	10.4
190.02470	1.8
191.03398	53.6
192.03690	3.0
193.01309	12.6
193.05022	2.1
195.02911	1.8
196.73543	1.0
201.01840	8.5
203.03395	15.5
205.01364	6.4
205.04886	2.0
207.02890	11.6
209.00743	2.1
215.03423	3.2
217.01335	21.9
218.01982	6.8
219.02907	57.2
220.03215	2.6
221.00822	63.0
221.04393	3.2
222.01181	3.1
223.02289	6.1
229.01350	4.7
231.02890	22.6
232.03273	1.8
233.00832	23.2
233.04510	4.4
234.01424	3.6
235.00200	1.7
235.02374	21.0
236.02759	1.6
237.03909	1.7
238.01100	1.2
239.01881	24.4
241.01390	1.3
245.00813	12.8
246.01457	3.1
247.02390	50.2
248.02701	4.0
249.03918	11.6
251.01901	1.3
257.00851	9.2
257.04568	1.2
258.01199	1.1
259.02377	18.4
261.04007	4.8
262.01071	3.2
263.01904	6.4
264.02280	1.2
265.03445	6.4
273.00284	22.6
274.00797	6.1
275.01868	83.1
276.02225	4.7
277.03455	22.2
285.00272	3.5
287.01950	3.4
289.03366	3.7
291.01471	5.0
293.02863	9.5
300.99713	4.5
303.01358	27.7
304.01840	1.7
305.02957	11.1
319.00888	22.9
320.01190	2.4
321.02435	19.6
333.02390	21.2
334.02432	1.2
335.03946	3.5
337.01682	5.9
339.03476	100.0
340.03809	4.5
351.03363	2.1
353.05026	15.7
361.01691	2.2
401.04535	1.2
427.02710	1.8
433.07098	1.1
434.61438	1.4
441.04279	1.7
445.04156	9.7
447.05594	7.0
459.05621	3.9
463.05170	3.7
465.06549	3.3
477.06332	2.6
483.07938	1.4
543.75208	1.1
737.05969	1.3
765.04956	5.1
779.07605	1.9
783.06793	14.9
784.06622	1.8
796.94952	1.6
797.08167	20.5
798.07678	2.4
801.07758	7.7
802.06964	1.2
815.09436	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	850.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47448	1.9
61.02920	6.3
65.03950	2.9
67.05508	45.5
68.99305	2.8
68.99707	14.3
69.03432	3.9
69.07076	12.3
71.05016	3.3
73.02914	2.5
79.05499	53.2
81.03425	49.1
81.07062	43.9
83.04986	17.3
83.08636	18.9
85.02908	19.6
91.03939	4.4
91.05485	52.8
91.06015	3.7
93.07053	47.2
95.04968	29.3
95.08604	15.3
97.02895	7.0
97.06546	6.8
97.10184	3.9
104.99352	1.7
105.07038	39.4
107.04961	7.1
107.08627	15.8
109.06535	7.6
109.10161	5.5
111.08092	8.6
117.07032	6.2
119.08594	25.6
121.06499	6.1
121.10159	8.1
123.08081	5.0
123.11703	2.9
125.09601	2.1
126.46622	1.7
129.07022	15.7
131.08572	13.3
133.06511	4.1
133.10159	16.0
135.11726	3.5
142.07780	2.8
143.08582	7.8
145.10162	8.6
147.08083	4.2
147.11687	27.1
149.09604	4.8
151.03906	3.0
157.10173	11.5
161.09637	3.4
161.13280	4.5
163.11157	3.1
171.11717	13.5
175.11197	7.2
189.12796	5.1
193.12273	24.8
194.12560	2.5
207.13783	15.5
211.13300	29.6
211.15184	2.5
223.13269	2.2
267.15942	36.3
269.17468	6.4
281.17508	48.3
285.16968	25.3
355.52271	2.0
405.71381	2.6
423.16617	4.9
473.29013	100.0
474.29288	7.6
491.30081	71.4
492.30246	8.5
569.26837	2.3
599.28607	2.5
617.29669	5.6
635.30762	6.6
651.54816	2.3
717.18591	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	850.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	7.4
65.03952	2.4
67.05510	58.6
69.03435	5.3
69.07065	12.6
71.01357	1.2
71.04993	4.3
73.02914	1.6
79.05498	72.6
80.05856	1.3
81.03423	53.9
81.07062	51.2
83.04991	21.0
83.08620	22.8
85.02911	18.1
85.06558	2.9
91.03955	3.2
91.05486	66.0
93.07047	71.1
94.07382	1.7
95.01358	2.7
95.04973	33.8
95.08611	26.6
95.09167	2.1
96.08896	1.6
97.02894	8.9
97.06528	7.4
97.10188	8.5
98.22589	2.3
99.04485	1.8
99.08115	3.4
100.51832	1.4
103.00574	1.4
105.04496	4.2
105.07041	52.9
106.07354	1.6
107.04950	10.5
107.08597	24.1
109.02885	1.8
109.06511	10.6
109.10175	6.3
111.04465	3.8
111.08054	8.6
113.05969	2.0
117.07001	9.0
119.08579	33.5
121.06497	6.6
121.10160	10.3
121.79823	1.2
123.04448	1.6
123.08049	6.7
125.09637	5.9
126.58595	1.4
127.03912	2.0
128.06203	3.0
129.07018	21.0
131.08582	11.4
133.06554	3.2
133.10110	15.8
135.08035	2.4
135.11725	3.2
137.06021	1.3
137.09598	2.5
142.07767	2.5
143.08542	8.4
145.10121	9.5
147.08037	5.4
147.11690	40.2
149.09641	4.3
149.13251	2.0
151.03897	6.6
151.07593	1.7
153.09116	1.6
157.10132	11.7
159.11665	2.6
161.09645	4.9
161.13240	8.0
163.03873	1.9
163.11241	1.5
165.12750	3.4
171.11687	19.1
175.11220	9.5
189.11258	2.1
189.12776	9.0
193.12251	29.9
195.13712	1.4
199.03999	2.4
207.13811	29.6
207.15651	2.6
211.13284	24.5
231.10233	1.6
232.75198	1.4
255.10225	1.7
261.11151	1.5
267.15921	36.8
269.17511	8.4
269.20175	1.6
281.17480	97.0
282.17874	5.3
285.16971	25.7
367.18536	1.5
370.71848	1.4
423.16513	7.8
424.16898	1.7
432.76724	1.5
441.17328	5.0
447.27786	2.8
473.29013	97.9
474.29144	7.9
491.30075	100.0
492.30438	9.0
569.27502	4.2
599.28473	4.1
617.29797	10.1
635.30566	12.6
636.31256	2.0
833.09784	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	851.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01596	0.6
61.10390	0.6
65.03932	1.4
67.05504	1.7
68.99795	4.3
69.03417	0.8
69.22018	4.6
77.03931	1.1
79.01854	3.5
79.05486	0.9
81.03424	1.7
83.04995	0.6
91.05460	1.5
93.07043	2.0
95.04956	2.2
97.02898	1.4
98.87592	0.6
105.03384	1.6
107.01325	0.8
107.04944	1.3
107.08596	1.2
111.00803	2.3
111.04424	1.5
121.02867	11.9
123.04436	68.5
124.04748	1.0
125.02346	2.0
127.03916	3.5
131.04922	1.1
135.00838	0.7
135.04413	4.2
137.02330	1.7
139.03902	6.5
143.03410	4.7
145.02809	0.8
145.06479	1.0
147.04398	2.2
149.06023	0.7
151.03885	3.6
153.01836	100.0
153.02887	4.6
154.02158	1.9
155.04845	1.1
157.06491	1.2
159.04541	0.9
161.05951	0.9
163.03911	15.7
165.07130	0.8
169.06491	1.6
173.05998	2.6
173.07458	0.6
177.05492	1.3
179.03401	16.1
179.04613	0.6
183.04466	2.0
185.05972	1.1
187.03891	3.0
189.05482	1.0
191.03441	1.3
193.06535	0.9
197.06000	4.4
201.05536	6.3
203.03416	3.1
203.07013	1.6
207.04590	0.9
213.05496	1.7
215.03375	0.7
215.07100	1.1
217.04982	0.8
219.06560	0.8
221.05989	2.6
225.05415	3.3
229.04953	8.5
235.03955	0.8
237.05467	0.9
239.07115	1.4
241.04901	1.6
243.06529	1.4
245.04446	1.5
247.06032	27.7
248.06364	1.1
249.05553	1.7
253.04942	6.5
255.06572	2.1
257.04477	2.0
259.06107	1.1
267.06665	1.8
269.04404	1.7
271.06018	73.6
272.06332	3.7
273.07599	1.6
275.05499	1.1
277.04938	1.1
283.05978	5.0
285.07419	1.1
287.05499	5.9
289.07224	2.9
295.06030	15.5
297.07742	1.1
299.05530	5.1
301.06882	0.7
303.04944	0.9
311.05487	2.0
313.06943	0.8
315.04892	1.2
331.04453	11.8
355.04633	0.7
409.09427	4.7
411.10532	1.0
417.09805	2.2
421.09250	5.8
422.09918	0.6
441.07993	2.0
543.12939	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	851.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25394	3.0
65.03949	25.5
67.05502	5.3
69.02584	33.1
77.03933	4.5
82.04211	8.1
85.02869	4.1
89.03943	5.2
91.05499	36.9
93.03407	8.2
93.07045	15.2
95.04973	9.7
103.05460	19.2
105.03403	7.0
107.04944	7.8
110.03657	24.0
111.04442	21.1
115.05510	4.0
117.03358	5.3
119.04955	11.4
120.05726	47.3
121.02890	7.3
121.06509	95.3
122.03687	4.2
125.06004	25.7
131.04907	5.4
133.02847	70.4
135.04437	4.7
136.07614	18.5
137.05983	36.9
145.02866	13.1
145.06450	8.4
146.06070	4.8
147.04430	13.9
149.02336	3.7
149.05984	14.8
151.03957	5.9
151.07535	14.0
153.05470	79.9
154.70558	3.1
161.05963	6.3
164.07097	9.4
165.05486	12.0
167.07040	32.9
173.05962	10.9
175.07533	8.7
176.04730	6.1
177.05464	39.6
179.08682	4.0
181.04962	9.1
182.98926	3.4
186.03163	3.9
189.05473	6.7
190.06200	3.3
191.03348	4.8
191.07060	14.0
194.07336	3.5
195.08037	5.1
201.05478	47.5
205.06590	6.6
205.08577	4.2
213.05458	8.2
219.08231	3.7
221.06020	4.5
222.06909	5.3
223.07530	8.3
231.06570	7.4
233.05849	7.1
234.06778	4.7
234.08897	3.5
235.07494	8.3
237.09071	9.3
241.08513	4.1
247.07524	5.1
248.08293	4.5
249.05492	3.6
250.06389	17.3
250.08559	4.0
251.07042	9.7
253.08620	5.4
255.10106	4.4
263.07037	16.3
264.07834	6.1
265.08649	28.6
272.12888	5.0
275.06937	4.7
276.07690	4.4
277.08542	6.8
278.05698	10.9
278.08994	3.2
279.06519	8.9
279.09982	4.2
281.08032	4.5
289.04779	3.9
291.06555	6.5
291.10123	3.6
292.07288	5.0
293.08066	34.4
294.08432	6.2
295.09641	6.8
297.11426	6.3
304.07394	4.7
305.08044	4.0
306.08618	4.2
307.06009	5.0
307.09540	9.9
309.11337	5.2
310.08282	5.1
312.12598	4.1
314.13852	8.0
319.09399	4.7
321.07727	17.4
321.11060	7.0
322.08221	8.0
323.08853	9.7
325.10623	23.2
329.13705	5.2
333.07474	6.5
335.09045	14.0
336.09656	5.5
337.10474	6.8
338.10611	6.0
339.12320	28.9
340.11652	5.0
350.11478	4.5
351.12338	15.9
353.10153	73.4
354.10513	6.2
355.11636	11.6
365.10211	39.2
367.11679	14.0
369.13107	6.6
380.14981	9.5
385.12674	13.8
457.04669	3.7
458.15964	26.8
476.20609	13.5
485.16022	4.1
490.18646	100.0
491.18915	13.1
502.18512	15.4
503.17319	19.2
515.16553	5.7
520.20038	18.5
533.17969	4.5
640.25446	60.5
641.25629	8.0
666.23584	5.3
670.26550	40.1
671.26703	7.8
696.23871	3.9
729.37408	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	851.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	7.0
67.05515	5.8
69.03442	3.9
69.07056	1.3
71.05006	1.3
73.02928	3.9
74.76312	0.6
79.05492	6.7
81.03423	3.7
81.07062	5.0
83.04980	1.4
83.08639	1.0
85.02902	6.8
91.03978	4.3
91.05489	5.0
93.07055	5.5
95.04987	2.1
95.08612	3.1
97.02899	6.7
97.06561	0.7
97.10195	0.6
98.23473	1.1
99.04494	1.6
101.02411	1.9
105.07025	4.7
107.04983	1.0
107.08627	2.2
109.02934	0.9
109.06552	1.1
109.10162	1.6
117.07046	1.5
119.08619	3.0
121.06531	0.8
123.08079	0.7
127.03986	2.1
129.07031	1.9
131.08614	1.0
133.10187	1.7
135.11830	0.8
143.08588	1.0
145.10165	1.5
146.24014	0.5
147.08170	0.7
147.11691	3.2
149.09747	0.7
161.09677	0.8
161.13281	1.0
161.81050	0.5
171.11761	2.1
185.04314	1.3
189.12846	0.9
203.05305	0.9
207.13863	0.8
243.08444	2.3
243.31125	0.5
247.13142	2.5
275.20059	0.8
281.17484	0.5
303.15759	2.0
347.09753	1.8
347.17719	0.7
363.08966	0.6
365.10715	0.9
405.13629	4.5
465.20996	15.1
466.21506	1.0
550.03302	0.6
627.26288	11.2
628.26788	0.9
689.35114	2.5
851.40295	100.0
852.40570	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	852.146
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99774	1.4
69.03425	3.9
71.04996	2.7
71.28915	1.5
79.05482	1.8
81.03418	58.5
82.03734	1.0
83.01348	2.1
85.02899	3.3
86.12848	0.9
89.03893	1.0
89.45784	1.0
91.05476	1.1
97.02889	2.2
99.04453	4.1
107.04977	1.4
109.02883	36.7
119.04908	1.9
123.00832	1.0
123.04469	1.7
127.03915	96.7
128.04295	2.0
129.88649	0.9
131.04913	1.4
133.02876	3.0
135.04436	2.4
137.02367	3.3
139.03932	1.6
141.01840	2.0
145.02873	1.4
145.04959	1.0
147.04407	6.7
149.02368	1.9
151.03951	1.6
153.01881	1.5
157.02870	1.6
159.04382	1.3
161.02321	2.0
163.03909	14.5
164.04213	1.6
165.01839	7.7
173.02382	2.0
175.00308	1.3
175.03844	6.0
177.01817	4.6
178.02641	1.1
179.03394	5.6
181.01286	1.4
181.04951	1.6
185.02248	1.9
189.01797	1.5
191.03401	42.1
192.00508	1.6
192.03735	2.0
193.01340	18.8
193.05005	3.6
195.99939	0.9
201.01794	5.2
202.84090	1.0
203.03345	8.4
205.01344	6.7
205.04903	1.3
207.02879	14.1
209.04466	1.2
215.03403	1.8
217.01321	3.2
218.02116	3.7
219.02885	46.2
220.03212	2.6
221.00809	100.0
221.04396	3.2
222.01146	3.1
223.02419	3.9
229.01382	2.3
231.02885	15.3
233.00806	20.0
233.04500	3.6
234.01285	1.2
235.02382	30.7
236.02745	1.1
239.01848	17.3
245.00937	1.2
247.02377	43.3
248.02635	2.0
249.03886	3.5
251.01698	1.2
253.03368	4.9
257.00821	7.9
259.02316	13.3
261.03961	2.2
263.01959	1.7
265.03497	3.6
273.00488	1.6
275.01840	77.2
276.02310	5.4
277.03470	11.9
285.00269	2.6
289.03412	6.9
293.02869	9.8
303.01331	24.7
303.04626	1.6
304.01672	1.1
307.04391	1.4
319.00858	4.0
321.02411	24.4
335.03955	3.2
337.01880	1.9
339.03455	64.3
340.03671	3.2
353.05020	7.4
353.96722	1.1
354.05255	1.4
401.04846	1.4
419.06039	1.4
429.04446	3.5
445.04239	1.0
447.05582	21.6
448.06198	1.3
461.06448	1.4
465.06619	14.4
479.07910	1.5
497.08978	2.2
537.08704	2.9
703.07996	5.5
717.08820	3.2
739.07056	1.4
757.08319	3.4
767.06708	1.7
781.05017	2.9
785.08441	14.7
786.08154	2.4
799.07562	2.7
803.09491	16.1
804.09106	1.7
817.10870	23.6
818.10760	1.7
835.11407	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	852.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94786	1.4
69.03429	3.6
69.14338	10.7
71.05004	2.3
72.67639	1.8
79.05515	1.8
79.18607	1.2
81.03425	47.1
85.02942	2.8
88.27707	1.5
91.05474	2.1
97.02873	1.9
99.04446	4.5
101.19016	1.5
107.04961	2.0
107.46012	1.5
109.02884	26.2
112.69742	1.6
127.03922	100.0
128.04239	2.3
132.59230	1.3
133.02831	4.0
135.04428	2.0
137.02312	1.5
140.03667	1.4
145.02855	2.7
147.04393	7.1
149.02278	1.5
153.01878	2.0
161.02425	1.6
163.03897	13.7
165.01828	7.5
165.05458	1.7
172.01236	1.5
173.02379	3.8
175.00266	2.6
175.03944	4.1
177.01848	6.3
177.05641	1.7
177.39546	1.4
179.03372	9.8
181.01434	2.0
181.04993	2.2
183.02940	1.5
187.03941	3.7
191.03404	44.1
192.00534	3.1
192.03520	1.5
193.01340	17.1
193.05025	3.6
201.01785	7.0
203.03406	13.0
205.01326	6.8
205.05026	2.9
205.06966	1.7
207.02888	22.1
215.03400	2.3
217.01321	2.0
218.02196	4.8
219.02910	51.3
220.03168	2.1
221.00822	93.9
222.01186	4.0
223.02403	5.6
229.01413	2.9
230.02217	2.0
231.02933	17.0
233.00861	23.2
233.04504	5.3
234.01218	2.2
235.02374	58.6
237.04005	2.1
238.01103	4.9
239.01891	24.6
243.03043	1.6
247.02403	45.7
248.02798	2.1
249.04092	3.3
253.03465	15.4
257.00879	13.6
259.02386	15.0
261.04004	4.8
263.05521	1.5
265.03445	2.7
275.01880	74.0
276.02274	4.6
277.03482	10.1
285.00409	4.6
289.03482	13.5
293.02866	9.7
303.01413	26.2
304.01746	1.9
307.04489	4.5
317.03076	1.9
319.00778	2.2
321.02408	17.3
322.02936	2.0
335.03857	8.2
339.03479	54.4
340.03821	3.0
353.05066	18.0
354.05219	2.1
401.05093	2.3
429.04642	2.7
447.05667	16.4
461.07031	3.0
465.06662	12.7
479.08209	4.1
483.07788	1.7
497.09134	2.7
677.90100	1.9
717.09406	8.5
781.05603	2.7
785.07367	5.0
799.08691	4.2
803.09302	3.6
817.10864	38.8
818.10614	5.3
835.11896	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.5
65.03949	1.2
66.43252	0.9
67.05171	1.7
67.05510	14.9
68.05834	0.8
69.03432	3.9
69.07088	5.0
71.05003	3.6
73.02917	2.0
79.05501	18.8
81.03426	34.0
81.07063	18.3
82.03767	1.5
83.01346	3.3
83.04984	11.3
83.08624	15.7
85.02912	17.6
85.06539	1.5
91.03967	3.9
91.05484	20.4
93.07060	18.2
94.07382	0.9
95.04971	15.6
95.08613	8.5
97.02902	4.9
97.06541	3.8
97.10168	2.0
99.04452	1.9
105.07040	14.3
107.04386	0.8
107.04960	5.7
107.08604	10.2
109.06546	5.1
109.10197	2.0
111.04464	2.5
111.08092	5.3
117.07029	5.8
119.08588	11.3
121.06530	5.0
121.10140	8.2
123.08108	4.9
123.11725	1.2
125.06003	1.2
127.03915	1.4
129.07013	5.5
131.08568	6.6
133.06528	2.0
133.10150	6.8
135.11685	7.0
142.07776	1.8
145.04929	1.6
145.10138	9.7
147.08064	2.4
147.11703	6.2
149.09619	3.5
153.12614	1.3
155.08582	1.3
157.10124	7.6
163.06052	2.0
163.11185	13.5
173.09682	1.7
175.11189	6.0
181.12292	1.7
191.10712	1.7
193.12268	23.2
207.08250	1.0
209.11768	1.9
211.13312	33.7
212.13666	1.0
216.01541	0.9
227.12781	4.0
247.70644	1.0
265.14386	2.4
267.15939	12.9
267.26721	0.8
283.15414	35.5
284.15845	2.5
285.17026	25.7
286.17368	1.9
301.16422	1.1
383.21985	2.3
401.23065	1.3
429.40424	0.9
444.07361	1.0
457.25928	3.4
461.28568	1.5
467.95731	0.9
475.26941	17.1
476.27017	2.7
493.28015	100.0
494.28293	10.9
563.48730	0.9
637.31189	2.5
748.34509	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	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32730	0.4
65.03945	1.5
65.15954	0.4
67.05506	20.3
68.05817	0.6
69.03432	8.0
69.07069	23.6
70.07387	0.9
71.04990	1.6
77.03933	0.5
79.05494	19.7
80.05859	0.6
81.03429	5.1
81.07055	16.6
83.04988	3.5
83.08619	8.3
85.02901	0.5
85.06536	0.7
86.09717	0.7
91.05482	15.7
93.07044	14.6
94.04196	0.8
94.07367	0.6
95.01315	0.7
95.04961	7.7
95.08609	8.5
97.02895	7.5
97.06516	3.2
97.10171	9.4
105.03386	0.5
105.04511	0.4
105.07035	11.3
107.04951	7.3
107.08599	9.8
108.05785	0.6
109.02882	0.8
109.06541	2.7
109.10147	6.0
111.04470	1.0
111.08092	1.2
112.03204	0.5
115.05469	0.6
117.07034	6.2
119.04964	1.0
119.08581	10.2
120.05746	0.5
121.06527	3.5
121.10144	3.8
123.04453	0.5
123.08073	2.9
123.11705	0.9
125.09625	8.1
128.06250	0.9
129.06993	2.9
130.07744	0.7
131.08578	6.4
133.06482	2.5
133.10136	4.1
134.07249	1.6
135.08046	3.4
135.11719	2.4
137.09624	1.7
141.06915	0.5
142.07784	0.7
143.07582	0.4
143.08522	2.6
143.10690	0.5
145.06470	1.0
145.10109	4.5
147.08052	5.6
147.11710	2.3
148.08885	0.4
149.09618	2.0
149.13277	1.6
151.11147	0.8
153.09065	0.5
155.08522	0.5
157.10146	2.0
159.08032	0.9
159.11723	2.6
161.09685	2.1
161.13217	0.5
162.10374	0.9
163.11177	1.9
165.09085	1.1
169.10150	0.7
169.12274	0.6
171.10252	0.9
171.11707	1.8
173.09619	0.7
173.11827	0.6
173.13266	0.8
175.11165	2.3
177.12750	1.2
183.10219	0.5
185.13252	0.6
187.11227	0.6
189.11200	4.4
189.12717	0.7
193.12262	0.8
195.12161	0.4
195.13841	1.7
205.12271	1.7
223.13290	16.2
224.13780	0.7
227.12758	4.5
245.19005	1.5
248.05222	0.5
249.14851	3.3
255.17667	1.0
263.20157	0.8
267.15860	1.1
273.18478	14.4
274.18729	0.8
275.19919	1.2
283.15244	0.6
289.17905	0.6
291.19540	100.0
292.19894	5.4
309.20709	0.5
347.22131	2.5
349.23788	0.6
352.62134	0.5
365.23221	37.4
366.23526	3.3
397.22284	0.6
417.15836	0.4
535.32684	0.6
540.48450	0.5
557.34460	1.9
575.35645	0.8
587.35687	0.7
637.40747	2.0
655.42010	39.3
656.42444	5.3
673.42920	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	852.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.3
66.04725	0.8
67.05508	49.5
68.05833	1.0
69.03438	11.1
69.07073	32.7
71.04981	4.6
77.03934	1.3
79.05497	38.8
79.05967	1.8
81.03423	7.3
81.07063	49.2
83.04989	8.7
83.08617	11.2
85.02910	1.4
85.06544	3.7
91.05488	46.3
92.05769	1.2
93.07049	34.6
93.07635	2.0
94.04207	0.9
94.07367	1.3
95.01289	1.0
95.04971	12.5
95.08611	17.4
97.02900	7.6
97.06546	6.0
97.10176	9.2
99.04453	2.5
103.05456	1.4
105.04541	1.0
105.07035	39.0
107.04961	10.2
107.08602	28.7
109.06513	8.2
109.10162	39.2
111.04462	1.8
111.08076	4.1
113.06004	1.1
115.05466	2.3
116.06272	1.0
117.07021	12.7
119.04932	2.1
119.08579	17.5
121.06505	8.5
121.10145	7.4
123.04440	1.3
123.08076	5.0
123.11709	7.0
125.09623	6.0
127.07555	1.8
128.06206	2.6
129.06985	5.1
130.07797	1.7
131.04813	0.8
131.08571	12.7
133.06516	6.1
133.10135	45.8
134.07236	1.3
134.10434	1.6
135.08046	7.5
135.11690	4.9
137.09612	2.0
142.07716	1.0
143.08611	5.7
145.06525	2.7
145.10144	8.3
147.08063	7.2
147.11688	5.5
149.09628	5.7
149.13242	2.5
151.11191	20.7
153.09108	1.3
157.10149	4.5
159.08093	1.2
159.11707	3.9
161.09647	7.2
161.13228	2.0
162.10426	1.1
163.11183	3.3
165.09177	1.4
165.12808	1.2
169.12251	5.0
171.11705	3.1
172.85126	0.8
173.09659	1.8
173.13292	1.8
175.11235	4.1
177.09155	2.1
177.12750	2.4
179.10725	2.3
185.13255	1.4
189.11185	3.3
189.12776	1.8
193.12242	1.1
199.11108	1.0
205.12262	2.2
215.12750	1.7
223.13301	16.2
227.12782	3.1
227.18068	2.5
245.19112	4.9
249.14880	3.5
251.12793	2.7
253.14355	87.1
254.14682	3.5
255.17435	3.3
263.19974	1.8
267.16022	1.4
273.18500	31.7
274.18863	1.7
275.20154	1.9
291.19562	100.0
292.19843	6.0
309.20673	1.9
323.58066	0.8
329.21140	0.9
347.22174	9.4
365.23251	42.0
366.23550	2.6
409.53207	1.0
423.23749	0.9
534.61212	0.9
543.33081	3.9
559.32538	1.6
561.34369	15.5
575.35791	2.2
637.40936	6.2
638.40839	1.2
641.44373	1.0
655.31805	1.5
655.42035	21.3
656.42194	3.1
675.07349	1.0
720.28650	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	852.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.8
65.03945	3.0
67.05508	47.6
68.05810	1.0
69.03434	11.4
69.07071	28.6
71.04995	4.1
74.13689	0.7
75.66117	0.7
79.05498	43.9
80.05830	0.9
81.03420	9.2
81.07059	67.7
82.07415	1.4
83.04996	7.6
83.08614	8.7
85.02909	1.8
85.06555	3.8
86.09736	1.1
88.74375	0.9
91.05483	49.4
92.05785	0.9
93.07049	36.6
94.04236	0.9
95.01330	1.5
95.04972	16.0
95.08609	17.9
97.02899	8.1
97.06532	8.8
97.10172	10.7
99.04436	1.0
99.08120	1.0
103.05479	1.9
105.07032	41.7
107.04951	13.9
107.08601	26.7
109.06525	18.0
109.10162	27.9
110.10458	0.9
111.04457	2.6
111.08077	3.7
115.05457	2.0
116.06222	1.3
117.07022	10.4
119.04942	1.9
119.08578	17.9
120.05719	1.2
120.08903	0.9
120.54096	0.8
121.06511	11.1
121.10150	8.4
123.04402	1.6
123.08088	5.4
123.11712	6.1
125.09621	8.1
127.07574	1.6
128.06239	2.8
129.07018	5.2
131.04929	0.9
131.08577	13.7
133.06511	7.7
133.10132	34.7
134.07307	0.8
135.08052	8.7
135.11671	6.0
137.05943	1.3
137.09642	3.7
139.07581	0.9
141.07033	1.2
142.07838	1.3
143.08563	7.1
144.09270	0.9
145.06500	2.5
145.10144	11.5
146.07228	1.0
147.08063	7.5
147.11694	6.1
149.09636	7.1
149.13280	4.2
151.07619	1.0
151.11188	18.0
153.09204	1.5
155.08536	1.4
157.09058	0.7
157.10123	4.6
159.08078	3.0
159.11694	4.5
161.09607	7.9
161.13271	2.2
163.07620	0.9
163.11188	3.6
165.09154	1.8
165.12827	1.0
169.10089	1.9
169.12308	2.8
171.11679	4.5
173.09639	1.7
173.13284	1.0
175.11156	5.3
177.09128	2.2
177.12735	2.2
179.10709	2.5
181.10110	1.0
183.11717	1.6
184.07323	2.0
185.09576	1.4
185.13264	2.2
187.11255	1.3
189.11234	3.1
189.12767	2.4
193.12288	1.5
195.13815	1.5
203.14349	1.1
205.12254	2.2
215.12842	2.4
223.13293	13.7
227.12746	4.9
227.18034	2.2
233.15417	1.2
237.16356	1.3
245.19028	6.5
245.47458	0.8
247.65996	0.8
249.14914	3.4
251.12781	1.4
253.14351	53.8
254.14679	2.2
255.17505	4.4
263.20081	2.8
267.16040	1.5
271.15335	1.1
273.18503	34.1
273.21484	1.7
274.18948	2.6
275.20166	5.6
289.17902	2.4
291.19553	100.0
292.19815	6.1
309.20584	3.0
329.20898	0.9
347.22186	12.3
349.23724	3.4
363.21451	1.1
365.23236	45.9
366.23553	3.6
367.24658	0.8
381.22720	1.0
394.10837	0.8
506.73962	0.8
543.32269	3.8
545.35797	1.0
557.34851	1.7
559.32758	1.2
561.34131	10.8
562.34814	1.5
575.35468	1.6
623.42627	1.5
637.40979	11.5
638.40814	1.5
642.03107	0.9
655.42029	33.2
656.42255	5.7
669.47223	1.2
729.58575	1.0
852.54602	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	852.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83493	1.4
60.89694	1.4
65.03932	4.0
67.05507	42.9
69.03415	1.8
69.07067	26.0
71.04989	11.6
79.05497	43.8
81.03416	10.2
81.07056	81.0
82.07394	1.6
83.04993	6.7
83.08614	15.0
85.06532	2.9
91.05480	50.1
93.07048	34.4
95.01334	5.2
95.04965	11.6
95.08609	31.7
97.06524	26.4
97.10201	2.8
99.04533	1.7
99.08107	2.7
103.05519	1.8
105.07036	60.7
107.04955	14.4
107.08593	18.5
109.06527	19.1
109.10145	8.8
111.04428	3.9
111.08100	5.0
115.05450	1.4
117.07016	14.4
119.08593	34.6
121.06514	5.4
121.10155	15.3
123.04414	3.0
123.08084	6.8
123.11726	4.1
125.09656	1.5
129.06963	3.4
131.08572	26.1
133.10139	28.4
135.08095	4.0
135.11710	6.3
137.09639	5.5
141.07048	1.5
143.08618	3.4
145.06438	2.1
145.10120	15.2
147.08090	2.1
147.11705	18.2
149.09608	9.4
149.13274	5.7
151.11266	2.0
155.08565	2.1
157.10199	4.0
159.11714	11.0
161.09695	1.8
161.13275	5.9
163.11234	7.8
163.14807	2.2
165.09082	1.5
165.12762	4.6
169.10127	1.7
171.11827	3.3
173.13292	4.4
175.11189	2.9
177.12796	2.6
179.14331	9.3
183.11722	1.9
184.07408	4.0
187.11261	2.1
193.12215	2.3
197.13266	1.9
205.59660	1.6
219.17502	1.5
229.14395	4.7
229.19565	2.6
239.18111	2.3
247.20625	6.2
257.19040	8.4
275.20056	100.0
276.20367	5.6
293.21063	7.1
307.22681	4.1
331.22568	2.3
339.28885	2.8
349.23721	59.0
350.24051	6.0
381.26416	21.3
493.39032	3.6
543.36908	2.6
573.54987	1.9
623.43024	77.9
624.43158	9.5
641.44537	8.3
655.34991	2.9
655.45654	58.2
656.45880	8.2
852.55499	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	852.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	29.2
69.07074	12.2
71.01477	4.1
71.04984	5.9
71.28200	7.6
75.04530	3.6
79.05486	23.2
79.84085	3.7
81.07058	44.5
83.04970	4.5
83.08642	7.5
83.95501	4.2
86.09737	10.0
86.88118	4.6
88.55247	3.7
91.05513	20.8
93.07047	27.3
95.04980	9.6
95.08600	29.5
97.06538	6.5
105.07059	15.4
107.04981	6.4
107.08644	11.3
107.57487	4.3
109.06528	11.6
109.10187	14.0
111.08118	6.0
117.07046	6.3
118.40163	3.6
119.08608	17.2
121.10159	12.6
125.00027	5.9
130.09067	3.9
131.08565	11.0
133.10139	9.8
143.08583	5.5
145.10124	11.5
147.11717	9.4
149.13290	9.2
157.10214	5.1
159.11763	4.3
163.11205	8.3
173.18922	4.3
184.07361	29.4
185.07724	5.7
222.32555	4.3
247.41061	4.4
257.19168	7.0
275.20041	40.3
293.21170	9.8
335.25824	100.0
336.26184	8.8
349.23663	27.3
367.24768	34.9
368.24945	4.6
381.26852	4.2
535.42157	5.1
609.44995	24.5
623.42657	9.4
627.45953	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.7
65.16814	0.9
67.05500	5.8
69.03430	5.1
69.07053	1.3
70.96425	1.5
70.96764	1.4
73.02911	4.7
79.05503	3.4
81.03416	2.4
81.07050	4.4
83.08643	0.9
85.02901	8.5
91.03951	4.8
91.05506	2.3
93.07069	3.2
95.08614	2.6
97.02890	5.9
97.06557	1.0
101.02402	2.1
107.08614	2.2
109.10176	3.0
110.24223	0.8
110.66889	0.9
119.08629	1.5
121.10204	1.1
127.03908	1.8
131.08545	0.9
135.11687	1.6
231.67216	1.0
243.08478	2.3
347.09506	2.1
365.10498	1.4
371.69916	1.1
405.13492	6.6
405.22873	0.9
413.17999	5.4
519.29614	4.0
575.23328	3.8
681.34418	7.2
682.35840	1.2
691.39868	1.1
795.45123	1.1
853.45471	100.0
854.45978	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	853.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	5.0
61.57137	1.1
64.72947	1.2
67.05513	10.2
67.19577	1.0
69.03442	4.3
70.20013	1.1
71.31052	1.5
73.02932	4.1
79.05513	2.2
81.03442	2.4
81.07085	5.3
83.08636	1.8
84.35097	1.0
85.02905	6.9
91.03979	4.4
91.05506	3.0
93.07073	4.5
95.04965	1.1
95.08648	3.7
97.02891	7.5
101.02437	2.1
105.07072	2.6
107.04900	1.3
107.08598	2.1
109.10161	5.8
119.08629	1.4
119.84048	1.2
127.03923	1.8
127.57152	1.2
133.10152	1.7
146.50314	1.3
225.29449	1.2
243.08511	3.3
253.14503	1.9
275.20212	1.8
291.19647	2.1
347.09747	3.4
405.13873	4.9
413.17938	7.9
413.30737	1.2
459.44763	1.1
519.29547	3.5
575.23010	9.4
599.23621	1.1
681.34467	5.8
691.39899	2.3
853.45520	100.0
854.45758	16.0
865.92188	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	853.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66494	0.7
65.01003	0.9
65.03938	1.7
67.05508	23.5
69.03419	3.2
69.07065	9.1
71.04984	3.2
71.29146	1.1
73.02887	1.1
76.64196	0.9
78.57881	0.8
79.05494	43.3
80.05827	1.1
81.03432	7.2
81.07058	100.0
82.07381	1.7
83.04995	10.0
83.08611	7.4
85.02914	5.3
85.06541	2.4
91.05482	23.2
93.07050	21.5
94.07379	1.0
95.04975	11.3
95.08612	11.7
97.06532	4.4
97.10156	8.9
99.04493	1.0
99.08050	0.9
100.11915	0.9
103.05430	1.2
105.03381	1.0
105.04475	1.4
105.06374	1.5
105.07033	17.2
107.04963	7.1
107.08601	13.3
109.06521	45.0
109.10150	8.7
110.06864	1.2
111.04459	9.7
111.08076	3.6
115.05441	2.0
117.07019	13.4
119.04948	1.4
119.08586	23.2
120.08904	1.3
121.06518	6.8
121.10142	6.9
123.08063	9.6
123.11666	0.9
125.06022	1.0
125.09624	8.9
128.06210	1.7
129.05521	1.3
129.07019	5.8
131.08572	12.0
133.06485	3.0
133.10121	6.6
135.08052	5.9
135.11710	4.8
137.09610	3.0
142.07787	1.5
143.08569	5.3
145.06490	2.5
145.10129	13.3
147.08032	11.5
147.11697	4.9
149.09624	6.0
149.13240	1.2
153.09058	1.7
153.12730	3.3
155.08554	1.8
157.08977	1.4
157.10115	6.9
159.08066	2.9
159.11690	3.6
161.09616	12.5
163.11162	8.6
165.09097	2.8
165.12703	1.3
169.10123	1.3
171.08093	1.1
171.10225	1.5
171.11708	3.2
173.09610	2.8
173.11781	1.1
175.11220	3.3
177.12769	1.7
181.12245	3.7
183.10191	1.4
185.13210	1.8
187.11270	1.5
189.11205	6.0
189.12755	1.5
191.10703	3.2
193.12222	2.4
195.11832	0.8
209.11627	2.1
210.96843	1.0
223.13290	3.9
227.12750	6.4
227.17941	1.5
237.16255	1.5
245.18974	3.2
249.14839	4.0
255.17453	2.6
267.15875	1.8
273.18491	33.2
274.18744	2.1
275.20029	2.2
291.19553	77.0
292.19894	2.9
309.20636	2.4
329.21027	1.0
347.22168	12.4
365.23242	25.9
366.23523	1.9
383.24164	4.1
461.28842	1.2
462.29422	2.3
619.39862	2.3
637.41064	9.0
638.40656	1.5
655.41895	10.5
656.42010	2.8
673.42847	4.0
853.43542	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	854.438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	9.5
65.03938	2.0
67.05510	27.0
69.03436	6.4
69.07073	8.5
69.07428	1.0
70.86298	1.2
71.04996	6.2
73.02913	4.1
79.05497	31.0
80.05825	0.6
81.03421	90.8
81.07059	36.3
82.03740	1.3
82.07357	0.6
83.04987	20.7
83.08623	29.7
83.11554	0.6
85.02909	40.6
85.06548	2.0
85.07089	0.5
91.03961	5.8
91.05483	43.2
92.05813	1.1
93.07052	20.6
94.07384	0.6
95.04974	37.2
95.08041	1.2
95.08608	13.2
96.05312	0.7
97.02896	10.4
97.06530	4.9
97.10165	5.3
99.04475	1.1
99.08099	1.7
103.05512	0.9
105.04573	0.7
105.07036	31.2
107.04958	10.0
107.08591	7.6
109.02900	1.2
109.06522	6.0
109.10133	3.3
111.04462	4.0
111.08083	14.8
113.06010	2.8
115.03926	0.6
115.05453	2.7
117.07022	3.2
119.08586	27.6
119.09451	1.3
121.05744	0.6
121.06474	3.2
121.10149	12.7
123.08049	3.8
123.11716	2.7
125.09650	2.3
127.03917	2.5
127.07576	0.8
128.06195	0.7
129.07004	16.1
130.07353	0.6
131.08572	15.8
133.06528	3.8
133.10130	15.7
135.08075	0.9
135.11685	0.7
137.05910	0.7
137.09653	3.0
142.07790	3.9
145.05003	2.7
145.10109	2.5
147.08025	4.2
147.11690	20.0
148.11989	0.7
149.09624	9.6
157.10136	20.9
158.10460	0.7
163.06055	2.1
163.11174	2.1
165.12772	4.1
175.11197	24.3
176.11606	0.7
193.12247	61.8
194.12596	2.9
211.13298	100.0
212.13567	4.5
229.14349	0.7
249.14902	1.9
267.15918	47.6
268.16226	2.3
273.14926	1.0
285.16971	86.3
286.17279	3.7
312.08871	0.6
349.21732	1.6
355.17014	0.8
367.22687	3.2
385.23788	5.1
387.63531	0.7
403.24677	1.3
411.20105	0.7
433.25818	1.5
441.26144	1.9
459.27423	31.5
460.27759	2.1
477.28482	36.1
478.28778	3.6
495.29532	90.7
496.29871	7.4
621.32098	1.2
639.33569	2.1
658.76465	0.6
753.79132	0.6
882.49939	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90189	1.4
61.02932	14.0
65.03947	4.5
67.05510	100.0
68.05846	1.3
69.03433	6.9
69.07071	19.8
71.01364	1.9
71.04996	6.6
73.02908	7.0
79.05493	43.7
80.05812	2.3
81.03423	16.4
81.07063	79.9
83.04987	11.8
83.08624	19.6
85.02906	27.9
85.06562	3.9
87.04489	4.1
91.03958	10.3
91.05490	32.1
93.07049	41.7
95.04965	9.8
95.08606	24.2
97.02911	12.8
97.06538	13.5
97.10178	15.7
98.23383	3.4
99.04458	2.8
99.08157	1.5
101.02395	1.6
103.03963	1.9
105.07028	14.5
107.04955	5.8
107.08603	29.1
107.09293	2.1
109.02875	2.6
109.06527	6.3
109.10165	52.6
111.04476	3.4
111.08088	7.3
117.07034	10.5
119.08585	13.9
121.06555	4.5
121.10177	12.7
123.08098	5.1
123.11723	4.5
124.54539	1.6
125.09612	11.9
126.58345	1.5
127.03944	5.2
127.79574	1.4
129.05502	6.2
129.07018	4.2
131.08586	11.5
133.10141	12.6
135.08138	1.7
135.11676	10.3
137.09628	4.4
145.04988	6.2
145.10135	5.5
147.11728	4.7
149.09627	2.5
149.13260	13.7
151.11217	2.2
153.12788	3.1
155.10648	2.5
157.10129	2.6
159.11725	6.5
163.06050	6.3
163.11177	8.6
169.97289	1.6
173.11754	15.5
175.11194	3.3
177.12816	3.9
181.12262	3.2
191.10703	4.0
193.12228	7.3
195.13809	13.1
199.13333	2.8
209.11681	7.0
211.13274	4.8
219.94911	1.5
227.12790	9.1
229.14346	47.2
239.16554	4.5
267.15936	13.8
267.95767	2.0
269.17477	56.9
270.17853	1.7
275.19992	1.7
283.15491	4.5
301.16400	15.9
405.50073	1.7
411.27365	4.9
423.27408	34.3
424.27551	3.6
431.27936	2.9
436.17175	1.8
449.29333	3.3
463.30637	5.3
477.28574	3.9
495.29459	73.8
496.30057	6.8
513.23981	1.4
513.30664	27.3
514.31012	2.6
827.35278	1.9
854.44525	2.9
855.47736	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	854.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	14.3
65.03948	3.5
67.05506	100.0
68.05844	1.5
69.03436	6.9
69.07071	21.0
69.57001	3.7
71.05000	13.2
73.02920	7.2
79.05495	49.3
81.03416	15.7
81.07059	98.4
82.07393	1.4
83.04985	11.8
83.08621	19.6
85.02907	24.7
85.06556	6.0
87.04478	3.4
91.03944	10.6
91.05485	35.6
93.07049	48.9
94.07368	1.4
95.04957	8.1
95.08604	24.0
97.02887	14.2
97.06525	11.8
97.10175	12.8
99.04453	3.0
99.08138	1.4
105.04503	1.3
105.07030	14.9
107.04962	4.7
107.08597	31.4
109.06533	4.9
109.10156	44.7
110.10524	1.3
111.04440	2.2
111.08074	7.4
113.06059	1.5
115.05492	1.5
117.07017	10.2
119.08575	10.9
121.06504	5.8
121.10143	14.6
123.08073	3.6
123.11705	9.7
125.09634	7.5
127.03945	5.8
129.05495	4.4
129.06976	2.3
131.08578	10.7
133.10141	20.1
135.08058	2.9
135.11711	10.7
137.09616	2.6
145.04948	4.2
145.06393	1.3
145.10139	4.0
147.08044	1.3
147.11722	4.3
149.09621	2.2
149.13283	15.8
151.11203	4.4
153.12791	2.8
155.10683	2.2
157.10184	2.1
159.11687	11.0
161.09737	1.3
163.06029	5.2
163.11188	6.2
165.12781	2.5
173.09698	1.1
173.11749	12.4
175.11223	1.8
177.12752	4.1
181.12251	1.3
183.13800	2.1
184.07347	1.5
186.59024	1.1
187.13306	1.8
191.10735	2.6
193.12250	2.6
195.13811	15.7
199.13196	5.3
209.11743	5.1
211.13295	1.4
222.61470	1.1
227.12808	7.4
229.14363	32.4
239.16495	1.5
257.13910	3.0
267.15994	7.1
269.17480	51.3
270.17987	3.2
273.18668	1.2
283.15393	4.0
291.19431	1.8
292.19940	1.6
301.16965	5.7
301.20105	5.4
313.16440	1.1
364.99490	1.1
393.26596	2.1
411.27481	4.2
423.27390	28.9
424.27710	3.4
431.27829	1.5
437.29019	21.8
450.93979	1.2
451.30490	3.6
463.30594	15.7
477.28348	3.1
495.29419	35.8
496.29785	4.4
513.30603	14.5
514.31512	1.5
607.34515	2.1
639.37872	1.8
854.46240	1.5
855.47394	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	854.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.2
65.03944	1.7
67.05508	49.2
69.03435	1.8
69.07076	10.9
71.04995	12.2
71.29334	1.0
73.02916	2.8
79.05498	19.7
81.03416	3.0
81.07059	68.7
82.07388	1.4
83.04973	3.1
83.08622	8.7
85.02917	6.4
85.06540	5.6
88.80173	0.7
91.03983	3.7
91.05480	16.4
93.07048	31.6
94.07386	1.1
95.04993	3.5
95.08611	12.5
97.02892	3.2
97.06539	7.2
97.10174	2.0
99.08102	1.6
105.07030	7.8
107.07873	1.0
107.08599	19.6
109.06551	2.1
109.10167	7.9
111.08080	4.5
113.06019	1.0
117.07037	4.1
119.08635	1.9
121.06551	0.9
121.10154	11.0
123.11714	6.8
125.09633	1.0
127.03941	1.3
131.08569	5.8
133.10129	10.6
135.08110	1.6
135.11673	5.9
139.11246	0.9
145.05008	1.9
147.11743	0.9
149.13249	17.3
150.13686	0.8
151.11166	5.3
159.11713	8.6
163.06070	1.1
173.11749	1.1
177.12782	3.5
183.13777	1.8
184.07401	1.5
187.13284	2.7
195.13795	5.3
225.14905	1.1
229.14339	1.8
239.16510	0.8
267.15991	1.2
269.17502	13.9
301.19983	4.3
339.13974	0.8
423.27368	2.7
437.29001	34.7
438.29456	2.3
451.30627	5.5
463.30557	100.0
464.30905	8.4
477.44003	0.8
495.33386	30.8
496.33453	2.2
513.30603	1.0
562.11401	1.1
607.34979	1.0
639.37604	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	854.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	9.6
65.03603	0.6
65.03938	2.6
67.05505	69.8
68.05831	0.7
69.03438	4.8
69.07071	13.9
71.04595	1.2
71.04994	19.0
71.08629	1.0
72.05339	0.7
73.02901	3.9
77.03963	0.8
79.05499	32.7
81.03420	7.6
81.07057	100.0
82.07397	2.0
83.04987	8.0
83.08620	14.1
83.56156	0.6
85.02906	12.3
85.06541	8.1
85.12076	0.7
87.04466	2.2
90.15403	0.6
91.03954	8.2
91.05482	29.1
92.05817	1.1
93.07044	38.6
94.07367	0.8
95.04963	5.5
95.08602	15.6
97.02893	8.5
97.06539	8.8
97.10164	3.6
99.04441	1.1
99.08117	2.4
101.02355	0.6
101.06000	0.8
105.04502	0.8
105.07024	12.4
107.04971	1.3
107.08597	23.4
108.08947	1.1
108.90106	0.7
109.02933	0.9
109.06506	3.2
109.10159	17.5
111.04481	0.8
111.08064	5.3
113.06007	0.8
117.07018	6.6
119.08582	5.7
121.06516	2.6
121.10137	10.6
121.10926	1.1
123.08109	1.7
123.11707	12.9
123.12544	0.8
125.09663	2.8
127.03925	2.7
129.05409	0.8
129.07016	1.4
131.08563	8.6
133.06561	0.7
133.10129	23.2
135.08072	2.2
135.11690	8.4
137.09659	0.9
143.08606	0.9
145.04997	2.8
145.10175	1.7
147.08035	1.1
147.11740	2.3
149.09691	1.3
149.13248	14.4
151.11195	6.8
153.09245	0.8
153.12833	1.0
157.10202	1.2
159.11678	8.8
161.13272	0.8
163.06044	4.2
163.11241	2.1
165.12839	1.0
169.12343	1.0
173.04466	0.8
173.09743	1.0
173.11703	3.4
177.12788	5.5
183.13803	4.0
187.13269	3.3
189.11385	0.8
189.53090	0.8
193.12267	1.7
195.13800	12.5
195.15353	0.8
199.13324	1.4
213.14935	1.7
225.14980	1.9
227.12881	2.8
229.14359	10.9
230.14899	1.1
233.15457	0.9
243.16118	0.9
251.16409	1.3
253.18042	1.0
257.17499	1.5
267.16031	2.7
269.17471	28.7
270.17978	2.1
273.18552	0.9
275.20169	1.3
283.15573	2.1
285.17090	0.8
291.19620	1.5
297.17194	0.7
301.16623	3.5
301.20236	11.3
307.67322	0.7
383.24142	1.0
411.27356	0.8
413.21985	0.8
419.28040	1.2
423.27420	9.0
424.27884	0.8
435.31424	0.9
437.28976	56.1
438.29517	5.1
445.24310	1.2
445.29791	1.2
451.30698	7.3
452.31363	0.9
463.30518	36.2
464.31046	2.9
495.33408	97.8
496.33633	10.1
513.30817	2.9
607.35217	2.9
639.37134	3.8
656.42419	0.8
855.46899	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.8
65.03951	3.5
67.05508	55.0
69.03434	11.7
69.07072	35.8
71.05022	6.2
79.05499	55.0
81.03423	11.5
81.07064	73.6
83.04987	10.1
83.08621	18.2
85.02919	3.1
85.06563	3.6
91.05486	44.8
93.07050	43.9
95.01346	2.0
95.04983	15.3
95.08611	25.4
95.09168	2.2
97.02905	9.0
97.06538	12.5
97.10166	16.0
98.23378	4.3
99.04479	1.7
99.08112	1.9
103.05530	1.6
105.07040	30.9
107.04972	13.1
107.08599	28.5
107.09290	1.9
109.02888	3.4
109.06532	15.7
109.10167	16.4
111.04456	3.0
111.08087	4.3
115.05436	2.1
116.06266	1.4
116.90880	1.4
117.07007	16.8
119.08584	24.9
120.08929	1.3
121.06538	7.5
121.10148	12.7
123.04487	1.8
123.08073	8.8
123.11716	3.6
125.09634	12.7
127.03960	3.6
128.06274	1.3
129.07014	5.9
130.07771	2.0
131.08569	18.8
133.06537	3.2
133.10136	18.1
135.08083	9.1
135.11700	10.1
137.09660	4.8
141.06927	1.7
143.08607	7.4
145.06491	1.8
145.10133	15.6
147.08060	7.3
147.11674	11.3
149.09653	8.1
149.13284	9.2
151.11205	3.1
153.09210	1.5
155.08594	1.3
157.10152	5.4
159.08066	1.4
159.11700	10.1
161.09631	5.5
161.13277	5.0
163.11169	11.0
163.14949	1.7
165.12724	1.5
169.10205	2.3
169.92392	1.2
171.08116	1.4
171.11739	2.9
173.09627	1.4
173.13300	3.3
175.11214	4.2
177.12752	3.4
179.14317	1.4
181.12242	1.4
183.11679	2.4
185.13255	2.3
187.14844	1.5
189.11243	8.2
195.11768	1.0
195.13820	5.3
197.13443	1.4
205.12299	2.1
215.18108	1.2
223.13275	16.7
227.12711	8.3
227.17960	2.4
229.19484	1.7
239.17935	1.6
245.19067	1.2
249.14955	3.3
253.14384	4.4
255.15762	5.7
257.19073	4.8
263.20013	1.8
267.15952	3.9
269.17465	24.0
273.18488	21.9
275.20065	23.4
291.19565	100.0
292.19861	5.3
293.21094	3.7
309.20813	1.5
347.22235	5.6
349.23795	17.1
350.23807	1.5
365.23273	43.1
366.23465	2.4
367.24884	6.2
383.23843	1.3
456.35251	1.3
519.33264	2.9
541.35077	1.9
545.34772	12.5
546.34967	1.9
559.36377	55.0
560.36652	4.4
599.38855	1.3
621.41217	2.9
639.42523	19.6
640.43335	2.6
657.43579	6.5
703.40002	1.9
746.69788	1.4
781.85999	1.7
854.45099	2.1
855.44543	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	6.9
67.05505	28.5
69.03447	6.2
69.07080	14.9
71.05021	2.9
73.02919	4.4
79.05495	20.1
81.03436	9.1
81.07056	39.1
83.04997	4.4
83.08645	8.3
85.02913	6.5
91.05487	25.9
91.06010	2.4
93.07043	23.0
95.04974	13.2
95.08620	14.2
97.02924	7.4
97.06541	3.0
97.10229	6.8
99.04475	2.4
105.07026	22.6
107.04978	7.2
107.08583	13.5
109.06546	8.4
109.10160	14.1
110.10553	2.8
111.04417	2.9
117.07049	6.0
119.04974	2.6
119.08578	13.5
119.35371	2.3
121.06536	2.9
121.10164	5.3
121.35336	2.0
123.08115	3.4
125.09708	3.4
127.03980	3.7
131.08597	11.8
133.10136	15.8
135.08070	6.0
135.11760	3.4
137.09735	3.9
143.08556	2.5
145.10173	8.8
147.08105	4.2
147.11699	8.9
149.09692	5.9
149.13275	2.6
151.11241	5.1
152.69661	2.2
157.10167	3.4
159.11693	3.7
161.09683	3.3
163.11356	3.2
165.12798	3.2
173.11823	2.6
189.96782	2.5
223.13411	10.3
229.19563	3.7
253.14311	16.7
257.19193	3.5
273.18604	11.1
275.20056	23.0
291.19568	37.2
293.21185	6.2
319.52237	2.9
347.22253	4.5
349.23633	12.0
365.23233	22.6
367.24756	11.3
413.18338	3.2
414.18298	3.3
520.29846	4.3
576.23132	3.9
639.42444	18.2
640.43146	4.1
657.43890	15.8
854.45807	100.0
855.46143	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	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.1
67.05508	50.8
69.03423	8.8
69.07070	35.0
77.03947	1.9
79.05122	1.4
79.05495	60.0
81.03415	9.7
81.07059	100.0
82.07391	1.6
83.04984	13.2
83.08620	28.7
85.02926	3.4
91.05485	42.0
93.07045	37.3
95.04974	40.4
95.08611	28.3
97.02904	8.8
97.06528	8.5
97.10172	17.8
99.04443	2.8
105.07037	36.4
107.04971	19.2
107.08604	32.7
109.06534	43.7
109.10159	16.2
111.04439	8.0
111.08110	5.2
117.07034	17.4
119.08587	33.0
120.48228	1.5
121.06528	8.5
121.10134	19.0
122.10612	1.7
123.08058	9.4
123.11708	2.7
125.09618	11.7
126.42182	1.6
129.07024	5.4
130.07872	2.5
131.08577	24.2
133.06476	3.8
133.10141	20.5
135.08052	8.0
135.11678	11.3
136.11868	1.5
137.06168	2.1
137.09662	5.3
139.11194	2.2
143.08589	5.6
145.06516	4.7
145.10124	23.1
147.08035	7.1
147.11685	12.3
149.09634	20.0
149.13310	5.1
151.11176	2.2
155.08586	3.2
157.10156	5.1
159.08089	1.6
159.11708	10.7
161.09637	11.0
161.13292	4.2
163.11215	22.4
165.12781	2.1
169.10176	3.0
171.10258	2.5
171.11723	4.2
173.09644	3.7
173.13214	3.3
175.11163	3.9
177.12805	3.0
183.11723	2.1
185.13251	2.9
187.11200	3.0
187.14799	2.1
189.11249	7.0
189.12759	1.9
191.10704	2.4
193.12120	2.6
203.18317	1.6
205.12268	5.5
207.13579	1.9
223.13289	35.2
223.15317	2.5
227.12782	5.6
228.44588	1.7
239.17970	1.8
245.19106	2.1
249.14922	4.8
255.17548	2.6
257.19019	6.9
267.15997	3.9
269.17447	2.2
273.18524	26.9
275.20093	55.5
276.20517	3.8
291.19547	89.8
292.19907	3.3
293.21121	20.6
294.21133	1.9
309.20560	2.1
347.22104	17.7
349.23737	29.1
350.24274	2.5
365.23209	47.4
366.23550	3.9
367.24768	29.6
457.29480	1.9
478.12564	2.0
541.34698	2.0
545.34247	2.0
559.35944	5.5
621.41608	11.3
622.41650	2.2
639.42517	43.0
640.42908	4.0
657.43597	44.2
658.43707	5.1
776.79871	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	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50411	0.7
61.02935	1.3
65.03943	4.2
67.05505	60.1
68.05873	0.9
69.03439	5.8
69.07069	23.1
71.05009	5.7
77.03918	0.8
79.05493	49.0
81.03415	7.9
81.07057	100.0
82.07404	1.1
83.04991	9.8
83.08623	11.2
85.02865	1.4
85.06548	5.8
91.05482	62.5
93.07044	37.1
94.07397	0.9
95.04974	12.4
95.08605	26.1
97.02911	2.0
97.06535	10.8
97.10175	2.5
98.22552	1.6
99.04463	1.7
99.08103	2.1
101.06000	1.2
103.05487	2.7
105.04570	1.0
105.07031	57.0
106.07375	1.1
107.04966	12.7
107.08597	34.0
109.06520	21.1
109.10157	41.3
111.04381	1.4
111.08070	4.2
113.06056	1.6
115.05477	1.8
117.07001	10.5
119.08584	24.5
121.06507	9.8
121.10152	13.5
123.08068	7.5
123.11706	9.9
125.06009	0.9
125.09612	2.4
127.07559	2.7
128.06212	2.5
129.07010	3.8
131.08577	16.8
133.06483	5.1
133.10130	55.2
134.10513	1.4
135.08061	7.6
135.11694	7.4
137.09631	3.4
139.07570	1.3
141.06967	1.4
142.07727	1.3
143.08585	6.6
145.06459	1.4
145.10136	12.3
147.08017	3.2
147.11668	15.5
148.71812	0.8
149.09619	10.5
149.13258	4.7
151.11185	26.7
153.12843	0.9
155.08574	1.5
157.10139	5.4
159.08037	2.3
159.11682	6.4
161.09613	6.3
161.13281	3.4
163.07539	0.8
163.11177	6.1
163.14841	0.9
165.12801	3.1
169.10176	1.9
169.12242	3.4
171.11688	3.5
173.09669	2.0
173.13318	3.0
175.11185	4.8
175.14783	1.4
177.09186	2.0
177.12793	2.7
179.10683	1.8
183.11787	1.5
185.13295	2.0
187.11153	1.9
189.12817	2.1
191.14310	1.3
193.12260	1.8
195.13814	1.1
197.13304	1.2
199.11166	0.9
207.13646	1.1
215.12813	3.0
215.18109	1.1
227.18234	1.0
228.85977	1.2
229.19565	2.4
233.15373	0.9
239.18097	1.2
245.19051	3.8
247.20570	2.5
251.12799	1.9
253.14340	62.2
254.14722	2.5
255.17441	1.3
255.21239	0.9
257.19095	4.0
263.19952	2.3
267.16064	1.2
271.15436	3.5
273.18484	17.2
275.20059	41.8
276.20404	2.4
291.19519	15.0
293.21103	9.1
309.20618	1.1
329.21234	1.1
347.22165	7.2
349.23779	13.3
350.24179	1.1
365.23227	28.2
365.27719	1.7
366.23700	1.9
367.24808	22.8
368.25015	1.5
517.68524	1.1
545.34778	22.0
546.34888	2.1
563.35791	6.8
621.41199	3.6
639.42371	13.2
640.42395	1.9
657.43591	22.7
658.44385	4.3
697.45471	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.8
65.03951	3.5
67.05508	55.0
69.03434	11.7
69.07072	35.8
71.05022	6.2
79.05499	55.0
81.03423	11.5
81.07064	73.6
83.04987	10.1
83.08621	18.2
85.02919	3.1
85.06563	3.6
91.05486	44.8
93.07050	43.9
95.01346	2.0
95.04983	15.3
95.08611	25.4
95.09168	2.2
97.02905	9.0
97.06538	12.5
97.10166	16.0
98.23378	4.3
99.04479	1.7
99.08112	1.9
103.05530	1.6
105.07040	30.9
107.04972	13.1
107.08599	28.5
107.09290	1.9
109.02888	3.4
109.06532	15.7
109.10167	16.4
111.04456	3.0
111.08087	4.3
115.05436	2.1
116.06266	1.4
116.90880	1.4
117.07007	16.8
119.08584	24.9
120.08929	1.3
121.06538	7.5
121.10148	12.7
123.04487	1.8
123.08073	8.8
123.11716	3.6
125.09634	12.7
127.03960	3.6
128.06274	1.3
129.07014	5.9
130.07771	2.0
131.08569	18.8
133.06537	3.2
133.10136	18.1
135.08083	9.1
135.11700	10.1
137.09660	4.8
141.06927	1.7
143.08607	7.4
145.06491	1.8
145.10133	15.6
147.08060	7.3
147.11674	11.3
149.09653	8.1
149.13284	9.2
151.11205	3.1
153.09210	1.5
155.08594	1.3
157.10152	5.4
159.08066	1.4
159.11700	10.1
161.09631	5.5
161.13277	5.0
163.11169	11.0
163.14949	1.7
165.12724	1.5
169.10205	2.3
169.92392	1.2
171.08116	1.4
171.11739	2.9
173.09627	1.4
173.13300	3.3
175.11214	4.2
177.12752	3.4
179.14317	1.4
181.12242	1.4
183.11679	2.4
185.13255	2.3
187.14844	1.5
189.11243	8.2
195.11768	1.0
195.13820	5.3
197.13443	1.4
205.12299	2.1
215.18108	1.2
223.13275	16.7
227.12711	8.3
227.17960	2.4
229.19484	1.7
239.17935	1.6
245.19067	1.2
249.14955	3.3
253.14384	4.4
255.15762	5.7
257.19073	4.8
263.20013	1.8
267.15952	3.9
269.17465	24.0
273.18488	21.9
275.20065	23.4
291.19565	100.0
292.19861	5.3
293.21094	3.7
309.20813	1.5
347.22235	5.6
349.23795	17.1
350.23807	1.5
365.23273	43.1
366.23465	2.4
367.24884	6.2
383.23843	1.3
456.35251	1.3
519.33264	2.9
541.35077	1.9
545.34772	12.5
546.34967	1.9
559.36377	55.0
560.36652	4.4
599.38855	1.3
621.41217	2.9
639.42523	19.6
640.43335	2.6
657.43579	6.5
703.40002	1.9
746.69788	1.4
781.85999	1.7
854.45099	2.1
855.44543	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	854.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02949	1.5
65.03951	4.1
67.05508	80.1
68.05851	2.1
68.93701	1.3
69.03436	6.6
69.07070	38.3
71.04981	6.5
71.08560	1.2
71.28468	1.6
77.03939	2.8
79.05495	68.1
81.03419	9.8
81.07058	100.0
82.07396	3.6
83.04980	9.3
83.08626	30.0
85.02927	1.8
85.06545	7.0
91.05484	78.1
92.05814	2.9
93.07048	70.6
94.07397	2.7
95.04372	1.8
95.04975	28.4
95.08608	44.7
97.02920	3.0
97.06523	12.9
97.10165	9.3
99.04462	4.1
99.08110	3.4
103.05466	3.5
105.04572	2.5
105.07035	71.0
105.81168	1.5
106.07377	2.0
107.04948	16.8
107.08598	47.2
108.08931	1.7
109.06526	18.4
109.10155	28.7
111.04436	3.5
111.08098	8.3
113.05968	1.5
113.09640	1.7
115.05482	4.8
117.07034	27.3
119.08582	54.4
120.08943	1.6
121.06529	11.2
121.10151	32.5
123.04459	2.9
123.08087	9.8
123.11741	7.9
125.06032	1.4
125.09610	8.5
128.06212	3.7
129.05524	1.5
129.07010	14.5
131.08569	37.1
133.06526	3.6
133.10132	53.4
134.10501	1.9
135.08076	9.0
135.11700	19.0
137.06050	1.8
137.09651	6.8
139.11183	3.7
141.07001	4.3
142.07845	2.9
143.08556	12.7
144.09296	1.5
145.06473	2.2
145.10136	33.2
147.08041	6.2
147.11693	28.0
149.09630	16.3
149.13260	12.7
151.11177	9.9
154.07864	1.5
155.08606	5.4
156.09265	2.1
157.10139	10.9
159.11694	21.1
161.09622	6.4
161.13239	18.4
163.11172	18.9
163.14745	2.8
165.12775	6.2
169.10135	6.1
170.10759	1.9
171.11687	11.4
173.09552	3.3
173.11980	2.1
173.13257	10.3
175.11267	3.4
175.14830	7.4
177.12747	5.4
179.10846	1.6
179.14334	2.0
183.11665	5.7
184.07350	3.2
185.09616	1.8
185.13252	7.4
187.11208	4.0
187.14848	4.5
189.11208	4.1
189.12737	2.2
191.10739	1.6
193.10298	1.4
193.12221	4.1
195.11705	2.2
195.13841	1.6
197.13242	4.2
199.14848	4.1
201.12715	1.8
205.12318	2.1
207.13788	2.5
209.13336	2.8
213.16527	3.3
215.17914	2.5
217.15825	1.5
223.13123	2.1
227.12883	3.9
227.17981	1.8
229.19519	2.8
231.21201	2.7
233.15428	1.6
233.81615	1.6
237.16411	2.1
239.17958	3.8
241.19493	12.0
242.19943	1.5
243.21172	1.6
247.20459	2.6
253.14328	14.9
257.19055	9.0
259.20581	27.7
260.20932	3.0
261.22104	3.0
267.15936	1.9
269.17444	21.7
270.17624	1.5
273.18488	14.7
275.20078	51.4
276.20422	4.9
277.21713	2.1
287.16406	1.9
291.19583	18.4
292.20065	1.9
293.21036	9.0
303.19641	1.4
305.17398	2.3
307.22723	1.8
309.20609	2.3
315.23340	5.6
331.22614	2.4
333.24271	38.0
334.24548	3.0
335.25864	21.5
336.26151	1.7
347.22223	4.5
349.23770	34.9
350.23965	2.9
365.23224	22.2
367.24734	6.0
381.26367	8.9
383.24487	2.7
437.30618	1.8
445.29645	1.4
463.30722	5.9
497.36270	1.7
499.34106	3.5
533.39789	2.8
543.36884	14.4
551.40796	1.8
555.36407	1.6
561.37610	3.2
607.43463	18.2
608.44171	1.9
623.42615	2.5
625.44617	36.3
626.44556	5.4
639.46027	21.3
640.45068	4.1
643.45032	4.7
657.43701	23.7
658.43732	5.0
692.45001	1.6
855.47290	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	854.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	5.8
66.14931	2.2
67.05508	82.3
67.34939	1.9
69.03433	5.4
69.07071	28.5
70.53068	3.3
71.05004	11.1
71.08618	2.2
79.05496	85.5
81.03408	8.3
81.07059	100.0
83.04988	8.3
83.08624	25.0
83.64277	2.0
85.02891	4.5
85.06547	6.9
89.89809	2.7
91.05483	87.3
93.07053	84.0
93.07554	1.9
94.07378	2.6
95.04986	36.0
95.08611	53.0
96.08914	3.3
97.06535	12.4
97.10181	4.6
99.04459	2.8
99.08118	3.6
103.05439	3.3
105.04585	2.3
105.07030	77.2
106.09422	2.3
107.04955	15.9
107.08601	39.0
109.06512	22.2
109.10149	21.7
111.04430	4.7
111.08073	8.4
115.05434	2.7
117.07017	25.1
119.08585	61.0
121.06537	7.4
121.10148	29.2
123.08051	7.0
123.11721	7.7
125.09561	2.7
127.07491	2.9
128.06259	6.4
129.07014	13.6
130.07828	2.9
131.08574	34.3
133.10133	40.9
135.08061	6.0
135.11708	22.8
137.09586	6.6
139.11218	2.8
141.06990	4.3
143.08542	14.7
145.06372	2.2
145.10123	31.3
147.08055	6.9
147.11710	32.2
149.09601	10.8
149.13283	8.8
151.11191	3.8
155.08604	7.8
157.10187	14.6
159.11685	20.5
161.09624	8.3
161.13272	16.4
163.11179	15.3
163.14830	3.6
165.12793	5.3
169.10173	6.7
171.11719	12.3
173.09595	4.7
173.13251	13.0
175.11195	4.6
175.14862	6.8
177.12813	4.1
181.10127	3.3
183.11702	3.8
184.07318	2.5
185.13309	6.3
187.14792	6.1
189.12759	2.9
191.14362	2.5
195.11676	3.3
195.77158	2.3
197.13248	4.2
199.14825	5.7
213.16405	3.8
215.17839	3.2
223.14832	2.6
231.21112	2.7
239.18161	4.5
241.19571	10.7
257.19064	10.6
259.20554	30.2
273.18512	13.9
275.20105	40.3
291.19531	4.2
297.17014	3.6
307.22672	7.5
313.27399	2.4
315.23065	6.4
333.24252	59.2
334.24539	5.4
335.25839	24.3
347.22183	6.2
349.23788	18.4
367.24942	2.7
381.26492	19.4
397.22348	3.0
423.32730	2.9
515.38214	3.9
533.39441	6.3
543.36768	5.2
575.39209	2.8
607.43542	31.8
624.43225	2.5
625.34918	4.0
625.44641	45.3
626.44806	4.1
639.45868	18.3
640.46747	3.4
657.45410	4.3
692.85901	2.4
744.45697	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	854.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.9
65.03944	5.4
67.05510	66.6
68.83434	1.6
69.03433	5.0
69.07075	24.4
71.05001	17.9
73.02901	2.6
73.06580	1.9
79.05498	65.3
81.03430	6.8
81.07063	100.0
82.07405	2.3
83.04983	5.7
83.08617	14.9
85.02901	3.2
85.06547	6.4
91.05489	73.2
93.07050	64.0
95.04958	11.8
95.08614	41.8
97.06534	10.3
97.10192	4.9
98.22586	6.6
99.08078	4.3
99.77428	1.8
103.05458	1.9
105.04530	2.3
105.07038	65.0
106.07379	2.7
107.04971	10.6
107.08601	45.0
108.08936	2.0
109.06525	20.8
109.10168	19.5
111.04433	11.7
111.08073	6.0
113.09664	2.3
115.05450	4.2
117.07030	23.9
119.08594	55.0
119.09451	2.6
121.06529	7.2
121.10139	26.0
123.08078	10.7
123.11713	7.0
125.09614	4.4
128.06183	1.8
129.07005	10.6
129.16006	1.9
131.08585	28.4
133.06459	2.8
133.10139	40.0
135.08063	7.3
135.11713	17.2
137.09634	4.5
139.11229	3.9
141.07016	3.5
143.08572	8.1
145.10136	24.9
147.07986	2.6
147.11693	32.8
149.09625	9.8
149.13289	10.8
151.11189	5.2
151.77223	2.0
155.08557	4.4
157.10132	11.7
159.07968	2.1
159.11702	20.1
161.09695	3.8
161.13284	18.9
163.11226	7.6
163.14828	4.6
165.12796	4.1
169.10147	4.7
171.11684	12.1
173.13269	9.8
175.11200	2.5
175.14848	5.5
177.12724	2.2
179.14183	1.8
181.10132	2.5
183.11649	3.5
185.13275	7.7
187.11215	3.1
187.14827	3.8
197.13295	3.3
199.14780	2.4
211.14871	2.9
229.19543	2.3
231.21065	3.5
239.18022	4.7
241.19499	12.9
247.20595	3.9
257.18994	6.4
259.20630	34.3
267.15918	2.5
269.17557	2.9
273.18506	2.1
275.20084	36.1
276.20444	4.2
277.21320	2.2
280.61282	1.8
293.21133	3.0
307.22644	16.6
315.23273	5.9
333.24246	77.6
334.24484	5.2
335.25912	3.5
349.23935	13.2
350.23944	4.4
365.23450	2.9
381.26416	37.2
382.26639	2.6
418.76501	2.0
513.35858	2.2
515.39203	2.2
533.39563	9.2
543.36420	2.7
551.40863	5.2
607.43585	26.7
608.43402	5.3
625.44556	22.4
626.45111	5.0
639.46442	19.0
640.46423	2.9
657.45453	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62420	1.0
65.03942	4.5
67.05506	50.1
68.05841	1.1
69.03431	2.8
69.07069	25.7
69.98066	1.1
71.04998	5.7
74.09138	1.3
75.19357	1.1
79.05495	47.6
81.03430	7.9
81.07059	89.7
83.04987	12.2
83.08620	30.4
85.02909	4.4
85.06518	3.0
86.09694	2.1
91.05482	39.9
92.05814	2.0
93.07048	42.5
93.07631	2.2
95.04971	47.7
95.08614	30.8
97.06519	10.4
97.10177	8.7
99.04476	4.2
99.08121	3.6
99.34727	1.3
105.07034	40.9
106.07333	1.6
107.04956	16.2
107.08595	29.6
109.06519	22.3
109.10162	14.3
111.04467	7.8
111.08054	7.7
115.05434	2.0
117.07030	13.9
119.08585	29.5
121.06525	8.1
121.10146	24.6
121.11022	1.8
123.08088	9.6
123.11691	7.3
125.00001	1.6
125.09673	7.6
125.45942	1.1
128.06215	1.9
129.07018	5.7
130.07779	1.7
131.04872	1.4
131.08557	20.6
133.06467	2.9
133.10129	21.1
135.08037	8.6
135.11696	9.8
137.09660	3.7
139.11180	1.6
140.91463	1.2
141.06943	2.1
143.08578	3.8
145.10130	20.2
146.10506	1.7
147.08083	3.2
147.11688	18.9
149.09612	26.3
149.10703	2.3
149.13313	6.4
151.11203	3.9
153.09219	1.4
155.08531	3.3
157.10167	4.1
159.11720	13.7
161.09610	3.3
161.13286	5.3
163.11191	25.5
163.14838	1.5
164.11533	1.6
165.12732	6.9
169.10088	2.1
169.96729	1.5
171.11644	3.0
173.09657	2.0
173.11903	1.4
173.13191	6.5
175.11238	5.2
175.14882	1.9
177.12830	6.1
181.12228	1.7
183.11771	2.2
184.07368	5.5
187.11215	3.5
187.14786	2.0
189.11217	7.6
191.14281	1.5
193.12344	3.4
195.13847	1.3
199.14903	1.3
205.12318	4.3
207.13860	1.4
223.13293	24.0
223.15344	2.0
227.12863	1.4
229.19542	3.5
239.17944	4.7
247.20578	4.6
257.19000	10.9
267.15765	1.7
269.17389	2.2
269.73315	1.2
275.20059	100.0
276.20389	6.6
283.02234	1.5
293.21124	33.7
294.21451	2.6
349.23724	60.6
350.24191	4.2
359.47528	1.3
367.24783	81.9
368.25262	7.2
449.29184	1.4
543.36572	1.4
623.43018	23.8
624.42651	4.5
641.44025	37.6
642.44318	5.8
659.45123	45.3
660.45355	4.8
857.45367	4.1
859.64771	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86894	0.6
61.02917	1.4
65.03941	1.9
67.05506	36.7
68.05834	0.6
69.03424	2.2
69.07069	21.5
70.45971	1.2
71.04989	3.4
71.08614	0.6
73.02923	0.7
79.05495	37.6
80.05827	0.7
81.03409	3.3
81.07059	100.0
82.07404	1.5
83.04983	6.0
83.08627	12.7
85.02891	1.6
85.06551	2.6
86.09676	0.7
91.05483	31.5
92.05812	1.3
93.07044	30.4
95.04969	10.4
95.08605	24.9
97.02879	1.1
97.06531	9.4
97.10174	2.4
99.04485	0.7
99.08095	3.1
103.05473	1.0
105.04552	1.4
105.07034	33.5
106.07379	0.7
107.04970	10.1
107.08598	19.3
108.57455	0.6
109.06519	25.6
109.10153	10.0
110.41031	0.6
111.08086	3.6
113.06073	0.6
115.05445	1.1
117.07024	9.0
119.08580	23.6
120.08905	0.6
120.96729	0.7
121.06502	5.0
121.10143	14.8
121.29586	0.6
123.04511	0.7
123.08073	8.1
123.11707	8.9
125.09652	1.7
129.06982	3.2
131.08572	12.5
131.09491	0.9
133.10130	15.9
133.50465	0.6
134.10451	0.6
135.08061	3.7
135.11690	7.1
137.09627	4.0
139.07515	0.8
139.11229	0.8
141.06975	0.9
142.07829	1.0
143.08580	2.3
145.06483	0.8
145.10118	10.5
147.08067	1.9
147.11684	19.0
148.12126	0.8
149.09627	9.1
149.13249	7.2
151.11209	3.0
155.08562	0.9
157.10167	4.4
159.08101	0.7
159.11707	7.8
161.09674	1.5
161.13252	3.6
163.11208	5.9
163.14854	1.8
165.12755	4.6
169.10164	2.3
171.11758	1.7
173.09689	1.5
173.13274	3.9
175.11221	2.4
175.14824	1.3
177.12793	2.6
179.14415	0.7
183.11728	2.1
184.07393	1.6
185.13336	1.3
187.11169	1.1
187.14798	1.4
189.12776	1.5
191.14381	0.9
193.12263	2.6
197.13242	1.0
199.14940	0.5
201.12724	0.9
208.86766	0.7
219.13821	0.7
219.17464	0.6
223.13036	0.8
229.14394	0.8
229.19550	3.0
239.18040	1.4
247.20563	3.7
257.19003	5.1
267.15976	2.2
269.17554	0.8
275.20062	64.3
276.20361	3.6
293.21088	11.4
349.23727	42.8
350.24173	2.3
367.24799	60.9
368.25189	4.1
461.24872	0.7
559.36615	0.7
623.43091	25.0
624.43469	4.3
641.44086	30.2
642.44232	4.6
659.45117	29.1
660.45630	3.4
857.46594	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	3.2
67.05510	50.6
69.03436	3.2
69.07074	25.6
71.04987	5.8
75.42907	1.6
75.53103	1.2
79.05498	46.3
81.03405	4.6
81.07063	94.2
82.07372	2.0
83.04997	9.9
83.08623	31.2
85.02895	2.3
85.06577	3.4
91.05489	45.5
92.11071	1.5
93.07051	44.1
94.07391	1.5
95.01337	1.9
95.04982	19.5
95.08612	37.8
97.06545	11.2
97.10188	3.7
99.08114	3.4
101.05967	1.6
105.07040	43.3
107.04964	17.2
107.08597	32.3
109.06528	26.1
109.10156	16.8
110.78226	1.3
111.08096	8.0
113.05991	1.4
115.05430	1.6
117.07027	16.1
119.07789	2.2
119.08595	35.9
121.06516	6.1
121.10149	19.5
123.08080	9.1
123.11721	7.4
125.09663	3.8
129.07018	3.8
130.58710	1.3
131.08575	22.8
133.06520	2.3
133.10139	29.8
134.10561	1.6
135.08063	10.8
135.11720	11.0
137.09633	7.2
139.11185	2.0
141.06972	2.3
143.08580	3.9
145.06453	1.7
145.10136	24.2
147.08014	2.6
147.11699	25.2
149.09624	19.8
149.13232	8.3
151.11157	7.4
155.08531	2.9
157.10144	4.9
159.07990	1.4
159.11713	12.9
161.09662	2.5
161.13271	5.5
163.11192	27.5
163.14798	2.0
165.12810	8.5
169.10144	2.2
171.11734	3.7
173.09608	2.8
173.13300	6.2
175.11166	5.1
175.14839	1.6
177.12775	4.8
178.34700	1.4
179.14493	1.4
183.11685	2.6
185.13272	2.5
187.11180	2.9
187.14772	2.0
191.14398	1.9
193.12260	2.4
197.13275	2.4
201.12726	2.1
205.12260	2.6
223.13202	2.8
229.19487	5.0
231.21156	1.6
239.17947	9.4
247.20618	5.8
257.19012	12.2
265.21683	1.4
267.15799	1.7
275.20084	100.0
276.20450	7.4
293.21112	18.5
349.23761	75.3
350.24176	7.7
367.24814	81.4
368.24966	6.5
399.92111	1.3
472.20459	1.4
559.36182	1.5
623.42963	26.1
624.43170	5.3
641.44061	40.6
642.44580	6.9
659.45038	31.1
660.45239	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51319	1.8
65.03952	4.6
67.05508	47.1
69.03408	2.5
69.07072	22.3
69.93866	6.9
71.04994	5.9
72.71170	1.8
79.05498	49.2
81.03421	8.7
81.07062	43.4
83.04984	19.4
83.08620	50.7
85.02911	7.6
85.06521	2.6
91.05482	37.7
91.15867	1.8
93.07050	49.9
94.11022	1.9
95.04975	87.8
95.08613	24.6
97.06557	8.7
97.10187	16.7
99.04472	7.8
99.08114	2.7
105.07038	41.7
105.07764	2.7
107.04972	18.2
107.08597	38.8
109.06510	11.7
109.10166	16.0
111.04443	14.7
111.08096	6.1
112.07626	2.5
117.07011	13.5
119.08582	33.2
121.06510	9.3
121.10148	27.5
123.08084	8.5
123.11732	5.0
125.09640	13.0
129.06996	5.6
131.08565	23.8
133.10133	23.2
135.08072	8.6
135.11719	14.3
137.09612	4.9
139.11176	4.4
143.08580	4.5
145.06554	2.9
145.10132	26.6
147.08052	7.3
147.11700	15.5
149.09628	37.1
149.13300	3.0
151.11166	3.0
153.09192	3.3
153.12775	3.3
155.08554	3.2
157.10178	3.3
159.11682	14.8
161.13217	3.7
163.11194	40.9
163.12506	3.2
165.12714	7.0
169.10130	5.1
171.11668	4.5
173.09656	4.2
173.13249	5.7
175.11209	3.4
177.12793	5.8
180.54211	1.9
183.11732	2.8
184.07332	2.0
187.11137	4.2
189.11217	15.3
189.12665	2.6
191.10712	2.8
191.14368	2.3
193.12289	3.4
197.13174	2.4
197.83253	2.2
205.12276	7.5
211.13112	2.6
213.97108	1.9
223.13289	59.8
224.13826	2.1
227.12744	4.0
229.19447	3.7
239.17990	6.4
246.84451	1.8
247.20531	3.3
257.14508	1.9
257.18958	13.4
275.20074	99.0
276.20422	6.7
293.21112	63.8
293.24432	2.1
294.21402	3.4
349.23712	70.9
350.23959	5.0
367.24826	100.0
368.25089	6.9
479.71463	2.2
623.43005	21.5
624.43927	2.6
641.44122	46.1
642.44531	5.3
659.45148	47.4
660.45313	5.1
722.82507	2.3
857.45850	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02175	2.5
65.03946	3.7
67.05177	5.0
67.05508	59.2
69.03432	6.3
69.07070	28.6
69.93410	8.1
79.05499	54.7
81.03426	9.1
81.07060	95.7
83.04980	12.3
83.08623	30.3
85.02916	3.5
85.06560	3.8
86.09732	6.9
91.05485	47.0
93.07043	56.1
95.04970	31.6
95.08606	38.5
95.37231	2.6
97.02911	4.0
97.06525	14.1
97.10199	7.5
99.08057	3.5
105.07037	47.1
107.04951	19.8
107.08595	35.4
109.06506	19.4
109.10147	15.2
111.04525	3.4
111.08106	8.8
112.86844	3.0
117.07008	18.8
119.08583	33.3
121.06544	6.7
121.10137	18.8
123.08113	9.3
123.11710	7.7
125.00058	3.3
125.09663	7.4
129.07051	7.5
131.08589	21.2
133.10124	35.2
135.08102	6.7
135.11717	14.6
137.09605	6.7
143.08617	5.0
145.10118	24.7
147.08109	4.0
147.11719	22.6
149.09619	21.7
149.13272	10.6
151.11191	5.5
155.08510	3.9
157.10042	5.1
159.11742	15.5
161.09599	2.6
161.13271	5.5
163.11189	24.8
163.14909	2.4
165.12772	7.7
169.10168	5.7
171.11736	5.7
173.13322	9.3
177.12805	6.1
181.12309	3.3
183.11639	3.0
184.07323	23.6
187.11258	3.3
189.11250	5.5
193.12323	3.6
197.13377	3.8
223.13237	13.0
229.19577	5.4
239.17989	6.3
247.20674	5.5
255.15950	5.7
257.18973	16.4
267.15970	4.8
269.17468	20.7
275.20084	100.0
276.20425	6.1
293.21078	26.1
309.24817	3.4
331.22470	3.9
349.23758	70.5
350.24036	3.5
367.24796	56.2
368.24963	5.0
463.30725	3.0
529.34937	9.3
543.36920	26.5
547.36316	3.2
561.37933	25.6
591.07312	2.6
623.42963	18.0
641.44061	30.9
642.44629	4.0
659.45526	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	856.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.8
63.90800	1.1
65.03947	7.8
67.05509	98.9
68.05832	2.8
69.03431	7.9
69.07076	40.1
69.42795	4.7
69.43226	1.8
71.01348	4.5
71.04980	5.9
73.02930	2.5
73.06550	1.6
79.05498	71.6
80.05823	3.0
81.03421	13.3
81.07062	96.5
82.07390	4.3
83.04990	10.0
83.08636	14.6
85.02914	5.6
85.06541	4.4
85.25870	1.2
86.09718	2.3
91.03970	1.3
91.05486	55.8
92.05804	1.9
93.07052	72.8
93.44122	1.0
94.07362	2.3
95.04967	15.7
95.08613	53.7
96.08957	1.9
97.02909	7.1
97.06532	21.5
97.10172	9.8
99.04471	2.3
99.08086	3.9
99.31429	1.1
99.33119	1.1
103.05460	2.6
105.04529	3.6
105.06387	2.1
105.07040	31.2
106.07343	1.6
107.04966	9.2
107.08600	42.3
109.02885	2.8
109.06535	13.9
109.10167	32.3
111.04449	3.5
111.08082	7.8
113.06009	1.4
115.05457	3.2
117.07019	18.7
119.08588	28.0
120.08929	1.3
121.06512	7.7
121.09303	2.0
121.10152	31.6
123.04447	6.5
123.08089	14.0
123.11734	6.9
124.99986	1.3
125.09631	8.0
128.06157	2.0
129.05525	2.3
129.06952	5.9
131.08566	19.6
133.06485	3.3
133.10139	23.9
134.10518	2.4
135.04437	1.4
135.08069	13.0
135.11685	21.6
137.05948	3.3
137.09602	7.2
137.13234	1.3
139.07535	2.8
139.11205	5.2
139.34499	1.3
141.06992	1.9
143.08548	5.0
145.06476	3.8
145.10153	17.5
147.08083	6.8
147.11705	11.6
149.09642	9.2
149.13306	6.3
151.07585	1.8
151.11183	3.4
153.09128	7.3
155.08521	2.2
157.10173	6.2
159.08078	3.4
159.11746	7.9
161.09608	5.0
161.13271	5.4
163.07526	1.7
163.11211	6.2
163.14828	2.5
165.09093	2.9
165.12755	2.6
167.10703	1.8
169.10149	2.7
171.11662	2.0
173.09615	10.2
173.11757	3.7
173.13303	6.2
173.85356	1.1
175.11182	2.6
175.14801	2.1
177.09042	3.0
177.12743	1.8
179.10672	1.6
181.12186	1.8
183.11801	1.1
184.07330	4.4
185.09685	2.3
185.11636	1.2
187.11253	2.4
187.14789	1.9
189.11235	1.8
189.12762	1.5
191.10614	3.6
193.12247	57.7
194.12601	2.6
195.13879	1.1
197.13234	1.5
199.14963	1.2
201.12735	1.3
209.11749	4.7
215.17807	1.9
219.10172	2.1
227.12727	3.4
229.14352	17.7
241.14316	1.5
243.17502	2.7
243.21082	3.1
245.15500	1.9
253.15939	1.6
255.15880	2.9
259.15457	2.3
259.20386	1.9
261.18677	6.7
261.22095	12.1
263.16492	1.7
267.16046	1.2
269.17532	1.4
271.16962	10.7
273.18396	2.2
275.20151	6.3
276.20410	2.1
283.15472	1.7
289.17996	34.4
290.18311	2.0
293.21060	3.2
307.19070	13.9
317.24829	2.7
325.20062	2.5
333.24252	2.0
335.25827	100.0
336.26184	6.6
345.20697	3.0
347.22412	1.8
349.23895	2.1
351.24802	1.5
363.21609	12.6
365.23032	1.6
367.24792	3.2
381.22720	17.5
399.18774	2.3
399.23785	26.6
400.24313	1.7
489.35718	7.9
515.37408	1.6
519.36542	1.7
533.26947	1.4
550.20648	1.2
595.43579	2.8
623.43042	21.2
624.43121	3.3
625.44421	2.2
641.44159	21.8
642.44232	4.3
659.45087	25.3
660.45056	4.4
857.46606	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.0
65.03943	3.4
67.05505	100.0
68.05831	1.2
69.03429	3.1
69.07070	19.0
70.72439	0.9
71.01365	1.6
71.04993	3.4
73.02927	2.6
79.05495	45.3
80.05843	1.1
81.03415	9.3
81.07055	66.1
82.07407	1.1
83.04980	8.1
83.08617	17.4
85.02908	12.5
85.06545	3.0
87.04468	5.3
88.16887	0.9
91.03960	1.9
91.05479	28.9
93.07042	43.3
95.04975	6.2
95.08606	42.7
97.02908	3.5
97.06536	5.7
97.10164	18.8
98.23409	1.7
99.08086	1.9
103.03922	1.6
105.07019	16.0
107.04976	2.9
107.08593	30.4
108.08923	1.0
109.06514	2.8
109.10156	62.6
110.10497	2.1
111.08089	4.1
111.11746	1.0
116.04660	0.9
117.07040	5.6
119.08574	15.9
121.06552	1.4
121.10136	19.5
123.08084	2.6
123.11695	6.3
125.09634	15.2
127.11213	1.3
129.05496	2.4
129.06993	3.0
131.08575	10.6
133.10127	8.3
134.54454	0.9
135.11688	14.1
137.09633	4.4
137.13248	1.7
143.08615	1.4
143.10638	2.6
145.10127	10.1
147.08090	1.2
147.11714	6.8
149.09599	1.5
149.13251	5.6
151.11165	1.3
153.12787	3.1
155.10693	5.6
157.10101	1.9
159.11703	6.4
161.13235	5.0
163.11172	8.2
163.14830	4.2
165.12750	1.1
171.11618	1.3
173.09572	1.7
173.11757	17.8
173.13260	5.0
175.14848	1.9
181.12233	2.5
185.11661	1.1
185.13181	1.1
187.14879	1.6
191.10674	2.7
193.12244	3.0
199.13277	6.8
201.16396	1.1
209.11711	5.3
211.13188	1.0
217.14401	1.4
227.12772	6.6
228.82985	1.2
229.14337	45.1
230.14703	1.9
240.89394	1.0
243.21048	3.0
244.23889	1.0
245.13931	1.1
257.14050	1.3
259.20529	1.8
261.22134	16.7
262.22433	1.8
267.15933	2.7
283.15335	2.2
301.16425	15.8
315.23193	1.2
317.24677	3.3
335.25787	81.8
336.26135	4.2
399.23715	17.2
400.24130	1.4
459.34702	1.2
477.35776	6.1
489.35782	16.7
490.36502	1.7
561.37738	4.3
579.38770	2.5
659.45172	17.4
660.44855	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	856.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.1
65.03944	6.0
67.05509	94.6
69.03445	10.8
69.07071	37.3
70.78853	7.0
71.04991	6.9
71.71162	2.5
73.02918	6.5
76.26706	2.6
79.05063	5.5
79.05499	71.9
80.05822	4.6
81.03423	13.0
81.07062	100.0
82.07386	4.5
83.04984	11.8
83.08627	20.3
85.02914	10.4
85.06562	5.4
86.09705	11.2
89.53156	2.7
91.03963	3.1
91.05485	67.2
92.05820	5.1
93.07048	78.0
94.07388	5.0
95.04970	22.5
95.08614	57.8
95.93301	3.0
96.08916	5.3
97.02892	8.3
97.06522	24.1
97.10164	15.2
99.04433	3.5
99.08077	5.2
103.05486	4.8
105.04500	3.4
105.07031	47.7
107.04967	12.3
107.08607	40.1
109.06528	18.2
109.10148	38.6
111.04456	4.3
111.08095	7.2
115.05457	4.4
117.07014	22.8
119.08585	37.7
121.06519	43.3
121.10142	32.5
123.08095	23.5
123.11702	6.0
125.00035	7.0
125.09635	10.2
129.05560	5.0
129.07045	8.7
131.08591	28.2
132.08087	4.1
132.08981	4.1
133.10149	33.9
134.10547	4.0
135.08072	12.5
135.11656	17.9
137.09587	18.9
143.08644	7.0
145.06509	4.4
145.10104	22.6
147.08083	5.0
147.11711	21.1
149.09654	9.7
149.13274	11.2
151.07489	4.6
151.11151	4.2
155.08565	4.8
157.10176	9.2
159.08101	6.7
159.11702	14.3
161.09636	8.5
161.13271	8.7
163.07666	3.6
163.11150	8.8
163.14845	3.7
165.12750	3.1
169.10210	4.0
171.11694	8.2
173.09599	26.9
173.13199	6.2
175.11180	5.4
183.11650	3.4
184.07365	24.7
187.11072	4.7
187.14903	3.8
189.11241	8.1
193.12263	6.5
195.13742	4.7
214.86331	3.1
225.16338	4.1
227.12752	8.1
243.17390	3.9
253.16081	3.9
257.19052	3.8
261.18460	9.6
261.22192	6.7
263.16467	5.0
267.16125	4.1
269.17386	15.4
271.16855	14.8
273.18573	3.3
275.20120	28.0
276.20224	4.7
281.17789	3.5
289.17972	20.7
291.19626	4.5
293.21109	9.8
307.19107	10.8
335.21884	5.7
335.25812	71.5
336.26312	4.6
337.20062	6.1
345.20432	4.5
349.23773	13.5
350.24222	4.6
363.21552	15.4
365.23175	5.3
367.24796	17.1
381.22748	15.0
463.30304	4.6
475.30258	14.3
543.36951	7.0
605.42023	4.9
615.42242	5.0
623.42932	27.7
624.42963	5.7
641.44086	58.2
642.43970	9.4
659.45020	14.2
660.44104	4.0
662.44189	22.8
694.46240	8.5
708.10681	3.6
824.49103	25.6
825.49664	7.1
856.51514	26.3
857.48798	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	856.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.3
65.03935	3.1
67.05508	100.0
69.03456	5.3
69.07067	29.2
69.97820	5.7
71.04993	13.1
77.03954	2.7
79.05494	64.2
81.03424	13.2
81.07059	85.8
83.04987	8.5
83.08627	17.6
85.02901	4.8
85.06565	2.6
91.05485	43.2
93.07051	64.8
94.79342	2.3
95.04965	9.8
95.08610	45.0
96.08926	2.7
97.02912	4.1
97.06538	12.0
97.10174	8.9
99.08077	2.7
103.40636	2.4
105.07037	33.9
107.04931	2.7
107.08600	42.0
109.06503	4.2
109.10160	41.5
111.08104	5.1
117.07013	15.1
119.08586	24.9
121.06470	4.8
121.10142	23.3
123.08064	5.2
123.11710	7.0
125.09659	4.1
129.06985	3.9
131.08583	19.8
133.06537	2.2
133.10143	19.0
135.08098	3.9
135.11713	18.0
137.09602	3.4
139.11311	2.0
143.08574	3.5
145.10141	12.0
147.11678	16.3
149.09657	5.4
149.13208	12.0
155.08589	2.1
155.10699	3.3
157.10136	4.9
159.11665	11.6
161.13280	7.6
163.11223	5.6
169.10135	3.3
171.11702	5.3
173.11757	8.4
173.13251	6.7
181.19508	2.5
183.11655	2.7
184.07350	2.4
184.80074	2.2
187.14713	2.6
191.14375	2.8
195.13844	3.9
227.12827	7.1
229.14365	28.7
239.18074	2.4
243.21208	4.4
257.18982	6.0
259.20648	2.3
261.22156	13.1
267.15939	4.5
269.17502	7.2
275.20068	20.9
317.24994	2.2
333.24228	2.9
335.25815	64.6
336.26208	4.9
349.23752	14.1
350.24042	2.7
351.25876	2.4
374.82959	2.1
413.21649	5.0
489.35773	22.5
490.36221	3.4
527.37335	2.3
529.38879	64.6
530.39130	6.5
609.45282	21.7
610.45605	3.6
641.46936	7.1
651.40381	2.2
659.40179	2.5
673.43329	3.8
722.22552	2.5
857.48108	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	856.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.0
62.49693	2.2
65.03942	5.9
67.05506	100.0
69.03422	6.7
69.06796	1.9
69.07078	21.7
71.04995	14.8
77.03950	2.3
79.05498	67.7
81.03407	10.9
81.07059	87.5
81.84132	2.2
82.98192	2.2
83.04971	8.2
83.08614	17.9
85.02895	4.3
85.06536	4.8
91.04913	2.4
91.05484	46.9
93.07050	67.7
95.04974	8.2
95.08611	52.1
95.09068	1.2
97.02882	3.9
97.06538	10.0
97.10169	5.8
98.23483	3.1
99.08104	3.2
105.04521	1.9
105.07041	28.7
107.04942	5.5
107.08600	43.9
109.02878	2.0
109.06520	6.1
109.10155	44.8
111.08083	5.8
113.09637	2.3
115.05477	4.8
117.07005	15.5
119.08572	23.1
121.06533	2.6
121.10157	27.5
122.10527	1.9
123.08050	3.3
123.11707	8.1
125.09627	6.7
129.05516	2.9
129.06987	7.2
131.08577	20.8
132.71556	1.8
133.10129	23.0
135.08064	4.3
135.11728	17.6
137.09593	3.3
143.08553	4.1
145.10107	17.4
147.11682	12.8
149.09647	6.7
149.13223	14.6
155.10652	2.1
159.11658	14.8
161.13275	8.6
163.11240	2.5
163.14836	3.0
169.10094	3.7
171.11734	3.7
173.11771	8.1
173.13293	8.1
173.98875	2.0
177.12793	3.5
179.14297	2.4
183.11748	2.6
187.14806	4.3
189.11221	2.2
189.12695	2.2
193.61758	2.1
195.13792	4.4
213.14832	2.8
227.12802	5.1
229.14343	32.6
243.21176	3.0
257.18951	4.9
261.22141	10.3
269.17532	10.1
275.20123	18.3
317.24509	2.5
335.25824	72.0
335.29703	4.5
336.26157	4.5
349.23801	11.1
381.26144	3.5
413.21552	7.5
453.11407	2.2
489.35745	17.3
516.46295	2.0
529.38855	72.9
530.39044	7.7
569.42194	12.8
609.45062	24.2
610.45404	4.5
641.47235	6.0
673.42639	9.7
820.33746	2.2
857.49219	8.8
862.08032	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	856.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02945	2.5
65.03949	5.0
67.05508	98.6
69.03438	5.9
69.07068	27.8
71.04995	10.3
79.05500	66.1
81.03416	11.5
81.07062	81.5
82.07416	2.5
83.04993	5.8
83.08631	15.9
84.08933	2.3
84.45559	1.8
85.02919	5.9
85.06558	4.6
90.43077	1.7
91.05483	41.7
93.07049	70.0
95.04999	8.6
95.08610	54.2
97.02914	4.1
97.06535	11.4
97.10180	7.3
98.22569	4.3
103.83772	1.8
105.04550	1.8
105.07042	31.8
107.04978	5.2
107.08599	37.9
109.06524	6.2
109.10163	50.8
111.04471	1.8
111.08078	4.8
115.05493	1.9
117.07024	15.3
119.08593	26.1
120.37026	2.1
121.10144	33.4
123.08069	5.2
123.11716	7.0
125.09670	5.2
127.07599	2.2
129.05510	2.9
129.06987	5.3
130.04138	1.8
131.08582	20.1
133.10117	21.4
135.08072	3.5
135.11673	19.4
137.09604	3.0
137.13255	2.6
139.11162	2.2
143.08571	6.7
145.10130	17.4
147.11719	14.1
149.09627	6.7
149.13243	11.3
155.10666	2.5
157.10147	5.3
159.11697	13.5
160.37701	1.9
161.13260	7.0
163.11258	2.7
163.14838	3.0
169.10062	2.4
171.11678	4.2
173.11746	7.8
173.13194	3.9
175.14827	2.9
179.14388	2.3
183.11729	2.0
185.13283	2.7
187.14883	3.0
189.11198	3.1
191.14252	2.2
195.13725	2.9
199.14874	3.0
227.12787	5.2
229.14381	36.2
243.21141	3.6
257.19022	5.1
261.22171	14.7
267.15988	2.7
269.17548	6.5
273.25372	1.8
275.20093	21.8
293.21161	3.9
307.22382	2.4
317.24817	3.3
333.24301	3.1
335.25818	100.0
336.26126	4.5
349.23734	14.2
349.44153	1.8
381.26602	3.2
413.21762	8.1
489.35861	37.3
490.36172	4.8
507.36508	2.4
529.38879	70.9
530.39240	9.5
534.87811	2.5
569.41901	19.5
609.45190	29.3
610.44684	4.7
623.43512	2.3
641.48230	12.3
659.42969	3.4
673.42865	3.9
834.71490	2.3
857.50177	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.0
65.03935	3.5
67.05506	79.6
69.03427	2.6
69.07069	17.9
69.07892	14.8
71.04983	7.4
71.08640	2.5
76.36759	1.8
79.05495	53.4
79.17259	1.8
81.03414	3.6
81.07060	100.0
82.07387	3.3
83.04988	4.3
83.08626	16.3
85.02887	4.0
85.06539	5.8
86.09683	3.3
91.05486	33.9
93.07050	46.0
94.07379	2.1
95.04981	13.7
95.08046	3.5
95.08611	39.3
97.02867	2.5
97.06518	6.7
97.10162	5.6
98.22613	4.3
99.08094	2.1
105.07036	31.9
107.04954	2.7
107.08617	20.1
109.06521	7.2
109.10155	26.1
111.08065	5.1
117.07036	9.2
119.08582	19.8
121.06490	2.6
121.10146	23.1
123.08096	5.7
123.11720	10.4
125.09616	5.3
129.06990	5.6
131.08566	17.1
133.10133	15.5
135.08008	2.6
135.11713	9.8
137.09613	3.1
139.11220	3.5
143.08537	3.7
145.10117	11.8
147.08023	2.2
147.11661	10.9
149.09641	6.7
149.13263	7.0
151.11195	3.1
159.11647	6.5
161.13298	5.5
163.11180	4.1
165.12708	3.4
167.60329	1.9
171.11682	4.0
173.11746	3.6
173.13251	5.7
175.11142	2.1
179.14171	2.1
184.07326	7.0
187.13379	2.6
201.12782	2.1
227.12909	2.3
229.14305	11.9
243.15860	4.6
261.22174	4.6
267.15872	4.9
275.20062	16.1
293.21170	2.4
301.16425	3.3
335.25818	46.4
336.26065	3.3
337.27127	3.0
349.23685	7.4
357.28653	2.3
367.24866	9.0
399.27353	5.1
489.35791	3.5
503.37271	51.1
504.37399	3.8
609.45056	6.3
623.42957	17.2
627.46246	23.0
628.45990	3.8
641.44104	6.1
659.38965	3.6
659.48090	9.0
677.41663	9.0
857.48883	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	857.4658
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02937	3.7
65.03950	0.6
67.05511	8.5
67.05850	0.9
68.05827	0.6
69.03432	3.9
69.07069	4.6
71.05006	1.1
73.02918	3.0
79.05499	6.9
79.05914	0.7
80.05844	0.7
81.03411	2.8
81.07067	8.9
82.32623	0.5
83.05000	1.4
83.08639	1.9
85.02908	4.1
85.06553	0.8
85.71234	0.4
86.09717	0.8
91.03965	1.3
91.05483	5.5
92.05833	0.8
93.07048	5.3
95.04976	2.7
95.08629	4.7
97.02909	4.2
97.06549	1.0
97.10195	2.1
101.02414	1.5
105.07047	4.2
107.04984	2.1
107.08614	4.4
109.05882	0.5
109.06547	1.9
109.10176	2.3
111.08120	0.9
117.07029	1.6
119.08602	2.3
121.06509	1.2
121.10194	1.5
123.08113	1.3
125.00002	1.0
125.09685	1.4
127.03933	1.0
129.07051	0.6
129.75301	0.6
131.08626	2.1
133.06483	0.6
133.10149	2.8
135.11780	0.7
135.12737	0.5
137.09641	0.9
140.15016	0.4
141.07059	0.7
143.08557	0.6
145.10132	1.1
147.08110	0.7
147.11720	0.9
149.09673	1.3
151.11244	1.0
159.11708	0.8
163.11302	0.8
165.12762	0.5
171.11659	0.4
175.11240	0.6
184.07433	2.3
185.04199	0.7
189.11192	0.5
193.12325	0.5
209.23068	0.5
223.13405	2.0
243.08395	3.8
253.14532	0.9
272.17395	0.5
273.18536	1.4
275.20166	1.8
276.20486	0.7
279.31610	0.5
289.17892	0.5
291.19672	2.1
293.21191	1.2
301.09143	0.9
313.17880	1.0
315.10526	1.0
331.18811	2.6
335.25873	0.8
336.26315	0.6
349.23953	0.7
350.24323	0.7
387.21341	0.8
451.19299	1.1
471.47223	0.5
531.25909	2.2
549.26721	14.0
550.26935	1.1
621.29205	1.3
624.43475	0.7
642.44501	1.1
660.45398	1.0
703.98505	0.5
719.32910	0.9
759.39081	4.0
785.56598	0.5
788.40332	0.7
839.45581	13.4
840.46722	1.2
857.46497	100.0
858.46826	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	857.4656
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02932	2.6
66.04762	0.6
67.05507	13.4
68.05843	1.1
69.03436	5.1
69.07072	6.7
71.04996	1.6
73.02921	3.1
79.05496	9.7
80.05853	0.8
81.03433	2.9
81.07059	11.5
82.07400	1.8
83.04984	1.4
83.08625	3.3
84.08965	0.6
85.02914	4.5
85.06555	0.6
86.09709	1.5
91.03964	1.8
91.05486	7.6
92.05842	1.3
93.07048	7.6
94.07388	1.5
95.04955	3.2
95.08617	6.2
96.08967	0.8
97.02882	3.7
97.06544	2.1
97.10172	3.2
101.02389	1.1
103.66441	0.5
105.07040	6.2
106.07394	0.8
107.04969	2.1
107.08615	5.4
109.02866	0.6
109.06535	2.4
109.10185	2.6
111.08080	0.7
117.06995	2.7
119.08581	5.4
120.09016	0.8
121.06539	1.2
121.10173	2.9
123.08086	1.4
123.11771	0.7
125.01775	0.6
125.09649	2.2
127.03889	0.8
129.07021	1.1
129.19434	0.6
131.08582	2.8
133.10112	4.2
134.10474	0.8
135.08075	1.7
135.11714	1.5
143.08650	0.8
145.10188	2.2
147.08087	0.9
147.11743	2.2
148.12067	0.8
149.09644	1.1
149.13309	1.1
151.11151	0.8
157.10144	0.7
159.11728	1.4
161.09601	0.9
161.13222	0.8
163.11163	1.3
171.11800	1.0
173.13251	1.1
184.07291	4.1
185.04301	0.8
189.11282	0.9
193.12296	0.6
205.12311	0.7
223.13275	2.9
243.08360	4.4
253.14438	0.8
257.19260	0.7
266.02957	0.6
269.17349	0.8
270.17764	0.8
275.20004	3.4
276.20502	2.1
291.19464	3.5
294.21674	0.9
331.18881	1.4
335.25912	0.9
336.26178	0.8
349.23798	1.6
350.24185	1.6
360.28845	0.8
367.24927	1.4
368.25317	1.4
369.15363	0.6
387.21588	0.8
549.26697	12.7
550.27283	1.6
624.42932	0.6
642.44434	2.5
653.88483	0.6
660.45319	1.3
667.37604	0.6
743.32196	0.6
857.46503	100.0
858.46698	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08353	0.4
63.02391	0.4
65.03931	0.5
67.01869	0.6
70.34326	1.4
71.04995	0.6
81.03413	1.5
82.44086	0.5
89.03912	3.2
91.05487	8.1
99.04459	0.9
101.78561	0.4
106.04130	0.6
109.02860	3.7
117.03383	10.9
119.04093	1.0
119.04945	18.6
120.05283	0.6
127.03930	4.4
134.03595	0.8
135.04457	1.3
145.02850	32.2
146.03203	1.5
147.04408	100.0
148.04753	3.5
149.05965	3.9
162.07771	0.8
163.03906	1.0
165.05508	0.7
177.05470	76.8
178.05821	2.4
186.05594	0.5
195.06419	0.9
205.68259	0.5
255.06467	0.6
259.09741	0.9
273.07602	8.4
303.08597	3.4
321.09625	1.3
339.10712	1.4
355.55173	0.5
460.98602	0.5
485.14374	15.7
486.14447	1.4
726.07922	0.5
878.78479	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	858.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.0
65.03934	4.4
67.05508	75.2
68.05833	1.4
69.03434	2.9
69.07070	23.5
70.69797	0.9
71.05000	5.4
73.02911	0.9
75.00035	1.6
78.19460	1.1
79.05497	56.6
79.80019	0.9
80.05817	1.5
81.03428	7.0
81.07062	83.1
82.07401	2.0
83.04980	5.3
83.08619	11.9
85.02888	4.5
85.06547	1.5
89.01592	1.5
91.03956	1.2
91.05486	42.6
92.05823	1.6
93.07047	52.9
94.07372	1.0
95.04976	13.8
95.08611	49.1
96.08947	1.5
97.02937	2.3
97.06541	4.5
97.10165	7.4
99.08102	1.8
103.05467	1.3
105.04536	1.5
105.07039	29.5
107.04963	8.9
107.08598	28.4
109.06538	7.6
109.10159	24.1
109.10908	1.3
109.72850	1.0
111.04493	1.3
111.08079	4.3
115.05486	2.0
117.01119	1.1
117.07024	13.2
119.04967	1.1
119.08590	29.1
121.06490	6.0
121.10144	18.5
123.08071	11.3
123.11717	5.1
124.99986	1.0
125.06098	0.9
125.09631	4.2
127.07617	1.1
128.06262	2.4
129.01060	1.8
129.07005	8.4
131.02571	1.3
131.08569	17.9
133.06485	2.9
133.10143	13.9
135.08075	3.7
135.11697	10.6
137.09665	3.0
137.13272	2.0
141.06984	1.6
143.08562	6.3
145.06468	1.5
145.10123	16.1
147.08038	6.9
147.11688	8.9
149.09627	8.0
149.13228	5.6
152.05109	0.9
155.08531	2.2
157.06575	1.1
157.10126	5.7
159.08055	2.4
159.11734	8.3
161.09644	6.1
161.13264	4.1
163.11179	7.1
163.14853	1.8
165.09100	1.0
169.10138	2.5
171.08139	1.6
171.11711	3.0
173.09662	1.6
173.11827	1.8
173.13300	4.6
175.11223	3.9
175.14818	1.8
181.10173	1.1
184.07368	3.7
185.13284	2.7
187.14783	2.2
189.11250	2.5
191.10719	1.2
193.12346	1.3
195.11685	2.0
197.07330	2.5
199.11264	1.3
199.14851	1.3
201.12769	1.1
213.12671	1.3
227.12701	1.8
227.17934	2.0
229.14348	6.2
237.16382	1.5
243.21185	1.6
245.19043	1.2
249.14963	1.4
255.17534	3.1
257.18951	1.3
259.20599	1.0
261.22110	10.0
262.22583	1.2
273.18478	18.5
274.19067	1.6
275.20090	2.2
291.19550	29.4
309.16113	6.0
317.24887	3.1
327.17197	2.0
333.24481	1.3
335.25812	100.0
336.26218	7.0
337.27328	7.8
347.22223	3.0
349.23822	2.3
365.23364	1.2
383.19870	12.9
384.20309	1.1
401.20905	29.3
402.21286	1.4
491.37305	3.7
531.40381	4.9
607.43738	4.5
611.46594	1.5
625.44794	6.9
626.44434	1.7
643.41266	25.6
644.41162	3.7
661.42151	24.1
662.42633	4.5
858.49872	3.0
859.51611	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	858.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.6
64.11351	1.7
65.03941	2.9
67.05506	75.3
69.03408	4.1
69.07070	26.4
69.19415	7.5
69.19839	3.9
71.05000	4.6
79.05493	67.5
80.05841	1.9
81.03428	8.5
81.07057	91.1
83.04980	5.9
83.08625	13.7
83.93034	1.7
85.02906	4.3
85.06519	2.0
86.09691	2.1
91.04903	2.1
91.05481	48.5
93.07042	60.8
94.00637	1.9
95.04976	21.1
95.08604	50.5
97.02892	2.0
97.06544	6.5
97.10137	9.8
103.05485	2.9
105.04506	2.2
105.07035	36.6
105.07745	2.0
107.04959	11.3
107.08598	34.7
109.06522	8.7
109.10146	20.0
111.04479	2.0
111.08087	4.9
115.05432	2.7
117.07016	17.4
119.08582	36.6
121.06512	9.5
121.10147	26.2
123.08074	17.7
123.11714	5.0
125.09666	3.7
128.06250	2.8
129.06978	9.7
131.02713	1.6
131.08568	19.6
133.00563	2.2
133.06464	2.9
133.10127	16.0
135.08054	7.2
135.11655	13.3
137.09641	2.3
142.07799	2.1
143.08582	9.4
145.10121	21.5
147.08072	8.7
147.11679	10.1
149.09637	10.3
149.13268	4.8
155.08569	2.4
157.10132	7.8
159.07990	1.8
159.11690	9.3
161.09616	6.7
161.13289	5.8
163.11201	6.5
163.14960	2.3
167.08583	1.8
169.10100	4.0
171.11713	6.5
173.13237	5.7
175.11237	4.8
179.14427	1.7
183.40190	1.8
184.07355	7.2
185.13286	3.9
187.11206	2.6
189.11124	2.7
195.11726	3.1
197.07213	2.7
237.16440	3.1
243.21036	3.2
245.18974	2.5
249.14674	2.4
255.17587	2.4
261.22070	12.0
273.18497	29.5
274.18936	1.9
275.20059	4.4
291.19556	53.2
309.16080	11.2
317.24835	2.9
327.17126	3.3
335.25800	100.0
336.26120	6.4
337.27374	4.9
347.22311	4.6
349.23450	2.4
365.23486	3.1
383.19925	25.1
401.20920	44.9
402.21201	3.5
529.37555	1.6
531.40015	5.2
546.61304	1.8
607.43298	5.1
625.44482	8.7
643.41101	23.1
644.41882	3.3
661.42194	30.5
662.42291	4.6
858.49243	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	858.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	5.3
61.02931	2.6
61.86693	1.2
67.05508	18.1
67.37946	1.2
69.05780	10.0
69.07059	7.2
69.49805	1.3
71.04994	2.3
71.07376	4.8
73.02904	1.4
79.05502	16.7
81.03425	3.5
81.07061	25.4
82.07391	1.5
83.04982	1.8
83.08611	3.9
85.02918	2.2
86.09220	2.2
86.09710	32.1
88.11269	3.5
91.05485	17.3
93.07044	14.4
95.04988	3.1
95.08611	10.3
97.06532	4.0
97.10189	2.8
98.10480	1.2
98.23477	2.0
98.98486	5.1
104.10750	2.7
105.07040	15.5
106.07384	1.2
107.04964	2.4
107.08601	9.5
109.06513	2.0
109.10154	7.5
117.07037	4.6
119.08579	11.7
121.06547	1.7
121.10137	5.0
123.08089	1.7
123.11753	1.7
125.00015	23.4
125.09621	3.5
128.06183	1.3
129.07016	2.9
131.08612	6.6
133.10127	8.3
135.11694	4.8
143.08528	3.3
145.10162	6.7
147.11711	6.6
149.09650	4.0
149.13271	1.8
150.07759	2.3
155.08441	1.4
157.10201	2.9
159.11670	4.1
161.13286	4.3
163.11200	1.8
165.12703	1.4
167.08510	1.5
169.10233	1.8
171.11682	2.7
173.13245	2.4
175.11217	1.4
184.07350	100.0
185.07657	2.3
185.13287	2.5
227.12852	1.8
241.19630	2.4
259.20724	8.1
269.17508	1.9
273.18292	1.9
275.20081	5.4
293.20999	1.8
315.23126	1.9
333.20682	1.5
333.24222	8.1
349.23557	2.1
365.23303	1.7
435.32523	1.9
452.70840	1.4
513.35693	1.6
515.38489	1.8
527.36957	7.0
545.38135	1.9
585.28461	2.0
607.43701	2.4
625.44604	6.8
696.44397	2.5
724.45386	1.9
840.52454	1.9
858.49200	7.2
859.48157	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	858.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	2.0
61.02938	2.7
64.45802	0.7
65.03954	1.4
67.05506	37.0
67.89483	0.7
68.05839	1.3
69.03438	2.6
69.07070	18.3
71.04996	3.2
71.07372	1.3
71.08634	8.6
73.02927	2.8
74.25880	0.6
77.03948	1.3
79.05493	31.1
80.05830	1.1
81.03425	4.2
81.07058	74.5
82.07408	2.3
83.04983	7.4
83.08615	16.6
83.09115	0.9
85.02924	2.9
85.06558	2.7
85.10202	3.2
86.09706	12.5
87.04428	0.9
91.03975	1.9
91.05480	30.7
92.05775	0.8
93.07044	24.8
94.07408	1.7
95.01343	0.8
95.04966	11.1
95.05536	0.7
95.08605	24.5
96.08952	1.7
97.02912	3.1
97.06536	9.5
97.10188	2.9
98.98483	1.0
99.08099	8.2
101.02392	0.9
104.10846	0.8
105.04559	1.1
105.07028	26.5
106.07378	1.4
107.04955	7.3
107.08593	19.6
107.09283	1.2
108.08974	1.1
109.02907	0.9
109.06526	16.0
109.10160	10.5
111.08080	13.8
113.06056	0.9
113.09653	4.3
115.05520	1.2
117.07033	5.7
119.08580	23.1
120.09003	0.8
121.06545	2.7
121.10136	13.6
122.10475	0.9
123.08070	6.4
123.11706	7.0
123.12411	0.7
125.00030	6.9
125.09663	1.6
127.03967	0.9
128.06252	1.1
129.07030	3.2
131.08565	9.5
132.08948	1.6
133.06523	1.3
133.10126	19.3
134.10455	1.3
135.08023	3.2
135.11714	8.0
136.12102	0.8
137.09612	4.4
137.13332	1.1
139.11234	2.8
141.06995	0.8
143.08615	2.0
145.10112	9.7
146.10460	0.9
147.08083	2.2
147.11691	20.7
148.12036	0.9
149.09616	7.6
149.13264	7.9
151.11194	6.0
151.54044	0.8
153.09155	0.9
153.12798	1.5
155.08656	1.0
157.10144	4.2
159.11707	8.4
160.12138	0.8
161.09692	1.2
161.13278	3.6
163.11185	7.3
163.14870	1.4
164.11647	1.1
165.12759	11.0
171.11754	2.1
171.40964	0.7
173.09601	0.9
173.11946	0.9
173.13245	3.4
175.11162	3.4
175.14859	1.8
177.12830	2.2
179.14401	3.1
183.11748	1.5
184.07347	37.8
185.04289	0.8
185.13309	1.4
189.12816	1.1
191.14307	0.8
193.12321	1.5
195.13913	1.1
201.12871	0.8
211.14906	1.0
229.19568	2.0
231.21083	0.9
239.18088	1.4
241.19591	1.1
243.08502	2.2
247.20671	3.2
249.22150	1.6
257.18964	3.3
259.20709	1.9
267.16058	0.8
275.20062	39.9
276.20404	4.8
277.21637	28.4
277.24554	1.4
293.21097	7.4
294.21570	1.0
295.22723	7.2
302.76175	0.7
331.22916	0.7
333.20786	1.0
349.23727	30.9
350.24167	3.4
351.25281	24.7
352.25934	1.2
367.24783	38.1
368.25153	3.7
369.26346	34.5
370.26923	2.1
461.32651	1.0
509.76962	1.0
549.26733	4.9
551.28143	5.0
569.41864	0.9
625.44586	28.3
626.45190	2.4
643.45599	37.1
644.46375	4.3
660.19720	0.9
661.46680	37.4
662.46930	4.5
857.40747	0.8
858.47498	3.5
859.47656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.0
69.98694	1.0
79.17207	1.0
91.05493	5.3
117.03376	1.8
119.04943	6.4
120.05297	1.5
137.06020	1.5
141.94063	1.2
145.02907	3.9
146.03236	1.4
147.04417	17.0
147.05472	1.3
148.04755	6.0
151.07755	1.0
153.01868	1.3
158.15889	1.1
177.05432	5.4
205.04793	1.5
209.08148	1.4
241.65395	1.0
406.72214	1.2
411.53867	1.2
517.85742	1.1
520.88898	1.2
553.11108	2.2
701.66699	1.1
743.03149	1.1
859.20477	100.0
859.36810	3.4
860.20496	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.4
65.03955	0.2
67.05508	2.2
69.03432	3.8
69.07078	0.6
69.67934	0.2
70.06623	0.3
71.01370	0.8
71.05008	0.8
73.02924	5.3
75.65869	0.2
75.84699	0.2
77.43352	0.2
79.05496	2.6
81.03422	6.0
81.07060	2.6
83.01373	0.3
83.04992	1.4
83.08605	1.2
85.02910	9.9
87.04478	0.3
91.03958	4.2
91.05487	3.5
93.07053	1.9
95.04988	1.8
95.08640	1.2
97.02898	6.5
97.03508	0.4
97.06519	0.2
97.10171	0.2
99.04453	1.2
101.02383	2.3
103.03954	0.5
105.07044	2.3
106.07442	0.2
107.04996	0.9
107.08646	0.6
109.02876	1.1
109.06538	0.5
109.10165	0.3
111.04500	0.3
111.08125	0.9
115.03976	0.6
119.08597	1.8
121.06531	0.7
121.10184	0.8
127.03918	2.4
127.04628	0.2
127.49721	0.2
129.06998	1.0
131.08565	1.1
133.10149	1.6
136.06218	1.1
137.09604	0.2
142.07822	0.3
145.05016	0.5
145.10165	0.3
147.08159	0.3
147.11655	1.4
149.09621	0.4
157.10115	1.3
162.07796	1.1
175.11212	1.3
177.05513	0.2
185.04352	0.8
193.12265	2.4
203.05389	0.8
211.13293	1.3
222.31233	0.2
243.08401	2.1
251.12630	1.8
259.08160	0.5
267.15887	0.5
269.12491	0.4
285.17145	0.5
307.15210	1.4
347.09488	3.1
363.09103	0.5
365.10809	1.0
405.13696	5.9
406.14304	0.3
469.20477	14.4
470.20569	1.3
506.92459	0.3
535.29077	0.3
631.25732	11.9
632.25885	1.3
647.34772	0.4
652.15479	0.3
697.33698	2.1
698.34607	0.4
859.39307	100.0
860.39661	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	859.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.7
67.05505	5.8
69.03438	2.6
69.67652	4.3
71.05013	3.0
73.02924	3.8
79.05512	2.7
81.03436	3.2
81.07066	8.1
83.08636	0.9
83.90395	0.9
85.02906	6.7
86.09711	1.4
91.03988	3.8
91.05511	3.4
93.07069	3.1
97.02889	7.4
97.06508	1.4
101.02412	2.8
107.08649	2.6
109.02894	1.3
123.11776	1.6
127.03935	2.0
133.10153	1.4
145.44008	0.9
149.13284	1.5
151.11250	1.4
184.07452	2.9
229.44092	1.1
235.13049	1.2
242.88383	1.0
243.08566	1.7
254.90736	0.9
257.17554	1.1
295.15509	0.9
333.44775	0.9
347.09616	3.2
365.10727	1.2
405.13531	5.7
453.20950	6.7
454.21387	1.0
485.23672	7.4
615.26154	6.4
647.28955	6.8
697.38495	2.0
787.37311	3.3
859.42950	100.0
860.43542	14.7
874.81799	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	859.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.7
67.05505	5.8
69.03438	2.6
69.67652	4.3
71.05013	3.0
73.02924	3.8
79.05512	2.7
81.03436	3.2
81.07066	8.1
83.08636	0.9
83.90395	0.9
85.02906	6.7
86.09711	1.4
91.03988	3.8
91.05511	3.4
93.07069	3.1
97.02889	7.4
97.06508	1.4
101.02412	2.8
107.08649	2.6
109.02894	1.3
123.11776	1.6
127.03935	2.0
133.10153	1.4
145.44008	0.9
149.13284	1.5
151.11250	1.4
184.07452	2.9
229.44092	1.1
235.13049	1.2
242.88383	1.0
243.08566	1.7
254.90736	0.9
257.17554	1.1
295.15509	0.9
333.44775	0.9
347.09616	3.2
365.10727	1.2
405.13531	5.7
453.20950	6.7
454.21387	1.0
485.23672	7.4
615.26154	6.4
647.28955	6.8
697.38495	2.0
787.37311	3.3
859.42950	100.0
860.43542	14.7
874.81799	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	859.455
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08184	0.7
61.02920	3.0
65.05894	0.5
67.05511	4.3
69.03446	2.1
69.07072	2.7
71.07385	0.6
71.08644	1.1
71.28213	0.6
73.02930	2.4
75.15199	0.6
79.05495	4.5
81.03421	2.2
81.07064	4.8
83.04993	0.8
83.08646	1.5
85.02911	3.2
86.09716	4.2
87.04496	0.8
91.03958	0.6
91.05495	4.2
93.07057	3.4
95.04979	2.1
95.08617	3.3
97.02904	3.1
97.06567	0.8
99.04440	0.8
101.02403	0.9
104.07125	0.8
104.10700	0.8
105.07050	2.9
107.04973	0.8
107.08613	2.3
109.06542	1.0
109.10177	1.6
117.07038	1.4
119.08624	1.7
121.10191	1.0
123.08141	0.9
125.00045	1.8
127.03946	1.1
131.08614	1.0
133.10167	2.3
135.11720	0.8
145.10178	1.4
147.11758	1.1
151.11153	0.6
159.11688	0.6
161.13202	0.7
163.11253	0.9
184.07350	10.1
185.07710	0.6
212.84221	0.5
243.08488	2.2
258.03397	0.6
275.20120	0.6
293.21213	1.4
294.21555	1.0
331.18802	1.3
333.20547	1.1
334.01035	0.6
413.06042	0.6
451.19446	1.0
518.98676	0.6
531.26074	1.2
544.36584	0.7
549.26770	2.5
551.28320	4.5
644.47070	0.8
761.41205	1.6
773.41034	3.2
778.89093	0.7
841.47290	3.8
859.46790	100.0
860.47101	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.4
65.05791	0.6
67.05500	5.0
69.03429	1.8
71.01409	0.6
73.02888	1.3
78.95232	0.8
79.05485	3.5
80.79922	0.7
81.03426	1.2
81.07072	5.5
83.04970	0.8
83.08628	1.6
85.02911	1.7
86.09731	2.0
91.03975	1.0
91.05488	3.1
92.39467	0.7
93.07059	3.7
95.04971	1.1
95.08614	3.2
97.02874	1.6
99.04516	0.8
105.07048	2.4
105.15762	0.7
106.31425	0.7
107.08606	2.1
109.02991	0.7
109.10168	1.2
117.07050	0.9
119.08582	1.7
121.06467	1.1
121.10147	1.3
123.08076	0.7
125.00000	1.0
131.08623	1.4
133.10118	2.1
147.11586	0.8
157.10257	0.8
163.11238	1.1
184.07347	6.6
185.07597	0.8
228.64967	0.6
243.08455	1.1
350.81903	0.7
440.95206	0.8
465.20914	0.9
535.28424	1.2
549.27100	1.2
551.26868	1.0
721.34045	2.1
761.39850	1.4
773.40881	1.7
798.75958	0.7
841.44849	3.5
859.46332	100.0
860.46606	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	859.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	0.6
65.77139	0.3
67.05503	1.7
69.03432	0.5
69.07096	0.6
72.26748	0.3
73.02931	0.4
75.27505	0.3
79.05509	1.3
81.03443	0.6
81.07066	2.2
83.08629	0.4
85.02920	0.8
86.09748	1.3
87.04506	0.4
91.03983	0.5
91.05515	1.6
93.07085	1.2
94.39771	0.4
95.08641	1.2
97.02926	0.6
98.23441	0.9
99.29008	0.3
101.02429	0.4
105.07053	1.2
107.04981	0.5
107.08673	0.5
109.06535	0.4
117.07011	0.5
119.08616	0.6
125.00050	1.0
133.10149	0.5
138.11165	0.3
145.10258	0.4
147.11734	0.4
147.57591	0.3
184.07404	3.2
275.20471	0.5
277.21774	0.9
295.22849	0.4
351.25320	0.7
369.26547	0.6
549.25574	1.5
551.28357	1.6
567.25494	1.5
731.39221	0.9
773.40741	0.6
841.47052	1.8
859.46332	100.0
860.46735	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02944	3.0
63.46230	1.9
67.05515	8.1
69.03420	2.7
71.30775	2.2
73.02911	2.0
79.05504	4.3
81.07074	5.8
85.02921	3.9
91.03946	2.7
91.05524	6.0
93.07053	3.6
95.05003	2.6
97.02896	2.6
105.07038	2.6
111.52524	2.2
113.06070	4.7
131.74286	2.2
179.94949	2.3
184.07413	8.2
185.30135	1.9
188.58536	2.2
243.08450	2.9
287.40762	2.4
333.20490	2.4
338.92447	2.5
480.23273	2.1
549.26923	4.3
551.28107	5.8
841.46570	8.3
859.47906	100.0
860.47864	13.6
871.10223	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	859.4813
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02926	4.4
62.43557	0.5
67.05510	6.2
69.03433	3.7
69.07069	4.3
69.56670	0.5
71.05005	1.0
73.02923	4.2
76.57561	0.5
79.05499	6.1
80.05859	0.6
81.03416	2.6
81.07062	10.4
83.05005	1.3
83.08620	1.8
85.02911	3.8
91.03978	2.0
91.05479	4.8
93.07052	5.7
95.05001	2.6
95.08604	4.0
97.02899	4.3
97.06543	1.0
97.10191	1.0
99.04482	1.2
101.02421	2.3
105.07023	3.2
107.04984	1.2
107.08595	2.9
108.09007	0.5
109.02890	1.2
109.06530	2.7
109.10174	1.4
111.08073	0.9
117.07041	1.8
119.08592	2.9
121.06531	0.7
121.10180	2.3
123.08133	0.9
125.09669	0.6
127.03947	1.0
131.08607	1.5
132.21797	0.5
133.06418	0.6
133.10130	1.1
135.08073	0.6
135.11742	0.6
145.10185	1.1
147.11740	1.4
148.12082	0.6
149.09656	0.7
157.10167	0.9
159.11758	0.5
163.11208	0.9
163.92639	0.5
177.12849	0.6
184.07431	1.9
185.04185	0.7
193.77698	0.5
203.05360	0.9
223.13460	0.6
240.23561	0.5
243.08456	4.2
275.20181	1.0
291.19489	0.8
301.17828	0.6
303.19257	0.6
313.09149	0.6
320.39148	0.5
331.18842	2.5
333.20447	1.4
387.21558	0.7
408.57779	0.6
533.26971	0.7
549.26831	6.1
551.28265	8.7
859.48059	100.0
860.48370	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4824
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02937	3.1
67.05521	5.3
69.03434	3.4
69.07076	2.8
73.02917	2.3
74.56131	0.9
79.05502	3.9
81.07056	7.1
83.08636	1.2
85.02924	3.4
89.07199	1.0
91.03993	1.9
91.05515	3.2
93.07047	4.7
94.00479	1.1
95.05008	1.7
95.08609	3.1
97.02921	2.6
97.10144	1.5
101.02380	1.1
105.07056	2.4
107.04980	1.7
107.08620	1.7
109.10210	1.7
119.08585	2.4
121.10101	1.4
133.10178	2.4
135.11682	1.0
184.07434	4.7
215.67255	1.0
223.13451	1.2
243.08569	3.5
333.20554	2.2
370.55679	1.2
549.26624	6.4
551.28271	7.7
796.73157	1.2
841.47131	3.7
842.35779	1.3
859.48047	100.0
860.48596	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	859.4827
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02937	4.5
63.46463	1.7
67.05514	6.0
69.03427	2.2
69.10227	15.7
73.02927	4.9
79.05511	2.9
81.07069	9.0
85.02921	4.9
91.03953	1.8
91.05506	4.0
93.07077	3.3
95.08641	1.7
96.11376	1.6
97.02914	2.9
105.07075	4.1
106.21069	1.8
121.10152	1.8
131.23242	1.9
133.10234	2.1
159.11752	2.1
180.92598	1.8
184.07425	3.8
184.12358	2.0
215.64529	1.6
243.08591	3.4
333.20514	2.5
344.34964	1.7
442.22397	1.9
451.19241	2.3
549.26837	3.0
551.27814	8.2
761.40686	3.0
841.46808	11.0
859.47943	100.0
860.48328	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.2
67.05505	6.9
69.03442	3.8
69.07082	4.2
71.02480	1.1
71.07397	2.0
71.31235	1.7
73.02942	5.2
79.05505	5.2
79.11667	1.2
81.03431	3.4
81.07080	5.9
81.44702	1.2
83.08642	1.2
83.89597	1.1
85.02928	3.4
86.09717	9.0
91.03954	2.0
91.05510	5.8
93.07073	2.1
95.04967	1.5
95.08626	2.7
97.02914	4.8
98.98467	1.5
105.07048	2.5
109.10155	1.7
111.17897	1.2
117.07104	1.7
119.08551	2.2
121.10192	1.6
125.00015	6.0
127.03905	1.4
131.08644	1.5
133.10158	2.4
184.07353	20.6
184.08928	1.4
185.04172	1.4
185.07764	2.4
209.88660	1.2
228.64737	1.3
243.08449	3.0
258.69925	1.3
277.77325	1.4
315.10571	1.3
331.19141	1.9
333.20499	1.6
397.36960	1.3
449.20209	1.2
531.25275	2.7
549.26849	3.2
551.28229	8.4
559.17261	1.3
623.30811	1.9
653.27844	1.5
761.40247	2.4
841.47498	8.4
859.47986	100.0
860.48169	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	859.4852
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02923	3.4
66.95943	0.4
67.05505	3.9
69.03436	2.2
69.07074	1.2
71.27836	0.4
73.02912	2.4
79.05491	3.8
81.03420	1.4
81.07066	4.5
83.04984	1.3
83.08621	0.8
85.02897	3.5
86.09713	1.8
87.04478	0.7
91.03974	1.6
91.05476	3.6
93.07039	3.6
95.04988	1.8
95.08602	3.1
97.02881	2.1
97.06523	0.6
101.02416	1.4
105.07038	2.9
106.26425	0.5
107.04983	1.6
107.08616	1.7
109.06546	0.9
109.10168	1.3
117.07036	1.0
119.08633	1.9
121.06519	0.6
121.10165	1.7
123.08068	0.8
125.00053	1.4
127.03941	0.5
129.65810	0.4
131.08597	1.3
131.93594	0.4
133.10091	2.3
135.11719	1.3
145.10126	1.0
147.11713	1.2
149.09627	1.0
151.11208	0.7
159.11761	0.6
162.13701	0.5
163.11195	0.5
175.11371	0.7
184.07378	6.2
193.12215	0.6
243.08542	2.2
275.20184	0.6
293.21252	0.5
301.09018	0.6
301.18057	0.5
311.35922	0.4
331.18890	1.0
333.20648	1.4
349.23639	0.6
490.05209	0.4
531.25995	1.7
549.26404	3.1
551.28241	7.5
552.28662	0.7
565.37518	0.6
623.30774	0.7
761.40332	2.4
762.41486	0.6
773.40741	2.7
841.47009	8.1
842.46576	1.0
859.47516	100.0
860.47845	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	4.2
67.64025	1.1
69.07088	2.0
69.54301	4.0
76.73663	1.0
79.05502	2.3
81.07066	4.8
83.08603	1.4
83.54779	1.0
91.05512	1.3
95.08609	2.3
107.08591	1.2
109.10166	2.6
119.08600	1.7
129.02228	1.0
137.47603	1.1
150.64844	1.2
150.88858	1.3
184.07376	1.9
337.27768	1.4
393.98242	1.1
535.26752	2.0
859.49603	100.0
860.49854	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	859.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.2
67.05513	3.5
69.03425	2.1
69.07071	1.5
71.01385	0.3
71.04988	1.3
73.02919	2.4
79.05499	3.7
81.03432	1.2
81.07063	5.2
83.04998	0.3
83.08652	0.5
85.02915	3.3
87.04490	0.3
91.03970	2.3
91.04494	0.3
91.05487	3.6
93.07046	4.2
93.07542	0.3
95.05002	0.7
95.08603	1.8
97.02896	3.0
97.06553	0.4
99.04500	0.7
101.02399	1.3
105.07036	2.9
107.04959	0.4
107.08599	1.9
109.02943	0.5
109.06560	0.3
109.10201	0.9
111.04417	0.3
111.08092	0.3
117.07057	0.8
119.08595	1.5
121.10149	1.2
123.08105	0.4
123.11751	0.3
124.87029	0.3
127.03952	0.7
129.07103	0.3
131.08627	0.8
133.10135	1.5
135.11740	0.8
137.04649	0.3
143.08664	0.4
145.10175	0.8
147.10738	0.3
147.11673	1.2
149.09631	0.4
149.13225	0.3
151.99915	0.3
159.11780	0.5
161.13353	0.3
167.36087	0.2
171.11867	0.3
184.07425	0.7
185.04291	0.6
243.08368	1.9
259.20752	0.3
265.09323	0.2
272.52673	0.3
275.20129	0.5
301.09174	1.1
301.21530	0.3
313.08835	0.3
315.10617	0.6
315.19678	0.3
317.20978	0.6
336.26395	0.4
347.21921	3.3
355.13818	0.3
371.16788	0.4
385.18579	0.4
403.24698	0.7
409.18738	0.3
423.20370	0.7
465.21204	0.4
470.12579	0.3
481.20279	2.3
535.28729	6.5
536.29633	0.8
541.22577	0.3
565.29822	5.4
565.37830	0.4
566.30286	0.8
597.37671	0.3
637.32452	0.9
647.33807	0.4
693.37982	0.4
762.39520	0.6
775.43036	0.8
859.51703	100.0
860.52057	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	859.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.5
65.03952	0.4
65.46075	0.3
67.05515	5.2
69.03443	2.4
69.07076	1.9
69.66340	0.3
70.89223	0.3
71.05005	0.6
73.02922	2.5
77.45618	0.3
79.05501	4.7
81.03420	1.7
81.07056	4.2
83.04984	0.8
83.08625	1.9
85.02899	3.2
86.09727	0.8
91.03969	2.4
91.05486	4.5
93.07050	4.9
95.04967	1.8
95.08603	3.0
97.02907	3.8
97.06556	0.6
97.10193	0.5
98.23408	0.6
99.04428	0.5
99.08102	0.4
101.02378	1.6
103.03983	0.4
103.05473	0.3
105.07029	3.3
107.04935	0.5
107.08600	2.9
109.02927	0.4
109.06528	0.7
109.10158	1.0
111.08070	0.5
117.07018	1.3
119.08574	2.3
121.06516	0.7
121.10149	1.0
123.08076	0.4
125.00018	0.7
127.03901	0.6
129.07007	0.8
131.08594	1.6
133.10135	2.4
135.08109	0.7
135.11699	1.1
137.09677	0.3
145.10173	1.6
147.11694	1.4
149.09595	0.9
149.13254	0.4
159.11734	0.9
161.13373	0.6
163.11246	1.0
165.12886	0.4
171.11751	0.4
183.65053	0.4
184.07350	1.7
185.04201	1.0
203.05389	0.6
214.06853	0.3
243.08455	3.0
275.20065	0.7
301.08960	1.1
313.08829	0.4
315.10416	0.7
317.20825	0.3
347.22031	1.8
373.23474	0.4
383.16937	0.4
449.35614	0.3
465.20853	0.8
535.28894	6.8
549.26147	0.4
551.28052	0.6
565.29852	6.7
566.30420	0.9
609.28461	0.5
637.31531	0.6
657.34265	0.4
761.40216	0.4
773.40540	2.2
774.40356	0.7
841.45636	0.7
859.51520	100.0
860.51849	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	860.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.7
65.07097	0.4
67.05509	16.6
69.07072	13.1
70.06602	3.4
71.04999	2.5
71.82696	0.4
78.61852	0.5
79.05550	0.5
79.37684	0.4
82.20797	0.4
84.08159	0.6
86.09716	0.6
95.04973	37.6
96.05284	0.9
98.22569	1.1
112.07610	100.0
113.06010	21.9
113.07959	2.0
114.06350	1.0
125.00020	0.6
155.07051	3.1
173.08025	0.9
184.07401	2.6
212.61716	0.5
224.12816	15.9
225.13191	1.3
240.47557	0.4
249.78671	0.6
284.14917	14.4
285.15244	0.6
336.18036	3.0
524.49359	0.6
555.17310	0.5
598.26251	0.5
653.25000	0.5
750.52655	0.5
861.37183	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	861.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91909	0.6
69.92870	2.2
83.15693	1.0
91.05450	1.2
94.00379	0.6
98.22538	0.6
109.02814	0.9
111.34343	0.7
121.06516	0.8
137.06003	1.2
137.95052	0.6
147.04413	1.6
167.07068	1.2
175.03673	100.0
176.04123	2.7
189.05334	0.8
203.03175	3.1
204.03935	2.2
205.04744	8.7
206.05084	1.1
231.06334	1.7
401.12350	0.6
409.12714	1.9
410.13568	0.9
421.12036	0.8
424.11603	1.0
438.13043	2.6
439.13721	7.8
440.14267	3.2
441.15091	1.7
453.15240	13.5
454.15967	1.3
467.16895	3.1
483.16193	6.8
484.16620	1.0
485.18085	1.4
537.00653	0.9
580.32538	1.2
605.20099	2.5
617.19812	1.2
621.19580	0.9
635.21155	1.8
636.21790	13.7
636.32404	0.8
637.22400	9.2
638.22491	0.9
831.28040	2.9
861.29193	89.2
862.29608	16.2
893.80359	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	861.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08185	0.6
61.02922	0.9
67.05508	1.6
67.18576	0.2
69.03437	0.5
69.07089	0.5
71.04999	0.3
73.02927	1.0
79.05505	1.1
81.03424	0.6
81.07064	1.9
83.08623	0.6
85.02916	1.1
86.09711	2.3
91.03950	0.8
91.05488	1.2
93.07050	1.3
93.67918	0.3
95.05028	0.5
95.08613	1.2
97.02924	0.9
97.10193	0.3
98.98503	0.3
99.08140	0.3
101.02388	0.5
105.07054	0.7
107.08630	0.5
109.06547	0.3
109.10152	0.5
119.08566	0.3
121.06557	1.0
121.10227	0.5
123.11767	0.3
124.99998	1.4
127.03919	0.5
131.00203	0.3
133.10132	0.5
135.11732	0.6
147.11700	0.5
152.11816	0.3
159.11700	0.2
184.07365	6.5
185.07730	0.6
209.58949	0.3
243.08482	1.0
333.20425	0.4
335.25836	0.3
349.17090	0.8
351.37546	0.3
365.19199	0.3
383.17596	0.3
439.19193	0.4
483.23334	0.3
551.27832	2.1
553.29663	0.5
567.25562	0.7
583.28113	0.4
733.41357	0.6
746.51843	0.3
751.62115	0.3
764.89972	0.3
775.42529	0.6
843.47162	0.7
861.47858	100.0
862.48224	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.2
67.05518	1.8
71.30400	1.9
73.02924	1.4
77.15690	1.2
79.05479	1.5
91.94827	1.1
93.07046	1.8
95.08675	1.1
97.02921	1.6
127.03841	1.1
152.12433	1.2
152.68745	1.1
184.07384	2.1
185.04405	1.8
211.82318	1.1
217.42755	1.1
239.93843	1.2
240.02388	1.1
301.08972	1.9
311.74493	1.3
319.23828	1.1
385.18411	1.9
519.29431	4.0
555.12231	1.3
578.31067	2.5
591.31506	2.0
662.40063	1.5
861.47986	100.0
862.48187	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47866	1.3
69.14682	10.7
86.09733	1.7
95.99159	1.4
108.03771	1.1
142.74255	1.4
184.07362	2.3
296.06110	1.5
398.91541	1.3
437.19208	1.5
451.56290	1.4
456.14557	1.6
527.99182	1.3
861.47717	100.0
862.48029	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.1
67.05508	4.1
69.03428	2.6
69.07063	2.3
69.11560	0.3
71.04999	0.4
73.02911	3.2
77.95709	0.3
79.05503	4.0
81.03423	1.6
81.07059	5.2
83.04988	0.7
83.08627	1.3
85.02904	3.5
86.09721	0.4
87.04468	0.5
91.03940	1.8
91.05475	2.4
93.07053	3.3
95.04962	1.6
95.08607	2.0
97.02891	3.3
97.06515	0.6
98.22620	1.3
99.04477	0.9
101.02383	1.7
105.07034	2.5
107.04976	0.8
107.08601	2.2
109.02898	0.8
109.06523	0.5
109.10177	1.3
111.04450	0.6
111.08092	0.5
117.06995	0.6
119.08566	1.6
121.06522	0.4
121.10146	1.5
123.08029	0.4
125.00013	0.3
127.03916	1.0
131.08609	0.7
133.10176	1.0
135.11752	0.7
139.11363	0.3
145.10168	1.3
147.11722	1.1
149.09676	1.2
149.13263	0.5
157.10165	0.4
159.11758	0.5
163.11206	0.7
165.12892	0.3
184.07425	1.0
203.05472	0.3
218.93692	0.3
229.46115	0.4
243.08415	3.7
244.68076	0.4
247.84799	0.3
275.20227	0.8
294.07751	0.4
303.19510	0.4
333.20316	3.9
389.23154	1.3
420.75317	0.4
439.19495	0.4
551.28204	15.1
552.28357	1.5
567.68793	0.4
623.30371	0.5
675.92725	0.3
699.45502	0.4
861.49628	100.0
862.49963	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	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.0
61.03228	0.3
65.03941	0.3
67.05503	4.3
69.03432	3.0
69.07068	2.9
71.01377	0.3
71.05008	0.6
73.02914	3.6
79.05496	3.5
81.03426	1.5
81.07056	8.8
82.07394	0.3
83.04991	0.7
83.08630	1.0
85.02906	4.2
85.03370	0.3
85.06557	0.5
86.09718	0.8
87.04459	0.3
91.03970	2.2
91.05482	3.4
92.05871	0.2
93.07048	2.6
95.04984	0.9
95.08607	3.0
97.02903	3.9
97.06561	0.7
99.04461	0.6
99.08079	0.4
100.75871	0.2
101.02374	1.7
103.03979	0.3
104.92175	0.2
105.04599	0.3
105.07028	3.1
105.07658	0.3
107.04975	0.5
107.08589	1.9
109.02911	0.6
109.06541	1.5
109.10159	1.1
111.08108	0.6
115.03954	0.3
117.07063	0.7
118.88335	0.2
119.08578	2.0
121.06536	0.5
121.10121	1.2
123.08121	0.6
123.11733	0.8
125.00038	0.5
127.03912	1.1
129.05528	0.3
131.08595	0.8
133.10115	1.3
135.08067	0.5
135.11728	0.6
137.09630	0.3
140.04642	0.2
145.05034	0.3
145.10170	0.6
147.11705	1.9
149.09679	0.5
149.13284	0.6
157.10124	0.4
159.11662	0.4
161.09767	0.2
161.13344	0.3
163.11290	0.3
173.13234	0.2
177.12766	0.4
178.48848	0.2
184.07381	2.0
185.04288	0.8
190.22169	0.2
201.03764	0.3
203.05347	0.5
242.07132	0.2
243.08391	3.8
243.10609	0.3
259.07886	0.4
275.20221	0.7
301.09116	0.5
303.15930	0.3
303.19400	0.4
313.09070	0.7
315.10486	0.3
327.10657	0.4
333.20346	5.6
334.20828	0.3
369.15369	0.5
371.16785	0.4
373.23645	0.4
389.22858	1.1
423.19952	2.0
425.21625	0.7
442.00049	0.2
481.20154	1.1
482.20786	0.3
483.21942	0.4
507.40103	0.2
551.28241	17.4
552.28467	1.5
623.30023	0.9
679.36377	0.3
697.78351	0.3
699.44965	0.3
733.41400	1.2
791.41919	0.4
861.49634	100.0
862.50024	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.4
67.05508	4.7
69.03437	2.6
69.07065	1.8
69.56248	0.3
69.86618	1.2
71.04991	0.8
73.02918	2.5
78.95378	0.4
79.05492	3.8
79.46993	0.3
81.03436	1.6
81.07056	5.3
83.04971	1.1
83.08637	2.0
85.02901	4.1
86.09705	1.2
91.03970	2.1
91.05486	3.1
93.07027	2.8
95.04985	1.5
95.08604	2.2
97.02897	4.1
97.06537	0.6
101.02392	1.7
105.07026	2.5
107.04956	1.0
107.08614	1.4
109.02912	0.7
109.06557	0.7
109.10173	1.7
117.07035	1.0
119.08587	2.3
121.06534	0.6
121.10155	0.8
123.08095	0.6
123.11691	0.9
125.00022	0.6
125.09686	0.4
127.03957	0.9
131.08594	1.4
133.10159	1.4
135.11703	0.9
137.09642	0.5
145.05061	0.4
145.10179	1.2
147.11740	1.6
149.09634	1.0
149.13222	0.5
151.11256	0.6
159.11719	0.7
163.11230	0.6
173.13425	0.4
184.07341	3.2
185.04231	0.8
202.95108	0.4
203.05322	0.5
212.94090	0.4
227.10020	0.4
243.08391	3.6
333.20285	3.7
375.05118	0.4
389.23203	1.4
412.55331	0.4
423.19858	1.0
425.21695	0.5
481.20648	0.6
502.36310	0.5
551.28265	16.6
552.28937	1.1
682.55829	0.4
861.49536	100.0
862.49817	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	861.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.8
64.96158	0.3
65.03957	0.4
67.05515	3.1
69.03439	2.4
69.07071	2.0
71.01370	0.5
71.05004	0.5
73.02912	2.9
79.05505	3.5
80.56158	0.3
81.02996	0.4
81.03434	1.2
81.07052	4.5
81.07440	0.3
83.04999	0.9
83.08626	1.4
85.02910	2.9
85.06543	0.4
87.04514	0.3
91.03983	1.2
91.05502	2.3
93.07052	3.0
95.04982	2.2
95.08598	1.8
97.02893	3.2
97.06567	0.6
97.10185	0.4
98.01156	0.3
98.23397	0.6
99.04482	1.3
101.02411	1.4
102.40186	0.3
105.07038	2.3
107.04967	0.8
107.08595	1.9
109.02920	0.7
109.06523	0.6
109.10188	0.7
111.04480	1.3
117.07045	0.7
119.08615	1.6
121.06570	0.4
121.10123	1.5
123.08109	0.5
124.21082	0.3
125.09644	0.4
127.03976	1.3
131.08598	1.1
133.10207	1.2
135.08115	0.4
135.11749	0.6
135.46855	0.3
139.11243	0.4
145.10168	1.0
147.11729	1.4
149.09676	1.1
149.13327	0.4
154.81142	0.3
159.11714	0.5
161.13370	0.4
163.11284	1.1
177.12805	0.4
185.04277	0.6
203.05290	0.6
223.13219	0.3
241.06818	0.4
243.08395	2.9
275.20242	0.8
282.35413	0.3
303.19250	0.5
313.09164	0.5
333.20410	3.3
334.20831	0.6
355.13916	0.3
389.23093	1.3
423.20029	0.9
439.19559	0.4
481.20755	0.6
483.22092	0.4
551.28229	14.3
552.28619	1.2
623.30988	0.4
861.49670	100.0
862.50012	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	861.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.0
65.03948	0.5
67.05502	2.8
67.22031	0.3
69.03428	2.6
69.07070	1.4
71.01360	0.4
71.05004	0.9
73.02920	2.9
79.05494	3.3
81.03436	1.6
81.07053	3.4
83.04983	2.0
83.08614	2.4
85.02899	3.4
86.09709	2.0
91.03953	1.6
91.05480	2.9
93.07041	3.4
95.04964	2.8
95.08613	1.8
97.02898	3.4
97.06548	0.5
97.10206	0.6
99.04455	1.6
101.02402	1.7
105.07039	2.1
107.04953	0.5
107.08600	2.4
109.02854	0.4
109.10178	0.8
111.04440	2.1
111.08102	0.4
117.07031	1.1
119.08574	1.7
121.06552	0.4
121.10136	2.0
123.08087	0.5
125.00027	1.2
125.09689	0.5
127.03938	0.8
131.08557	1.3
133.10175	1.0
135.08025	0.3
135.11681	1.5
139.11209	0.4
145.10100	1.4
147.11737	0.5
149.09651	1.5
149.13319	0.4
159.11681	0.5
163.11209	2.0
173.13223	0.4
177.12857	0.3
181.12332	0.4
184.07352	6.7
184.08940	0.5
185.04254	0.8
185.07741	0.7
201.03856	0.3
203.05362	0.6
223.13330	0.7
229.03558	0.3
243.08394	3.1
275.20230	0.8
301.09073	0.3
333.20352	2.9
349.20041	0.5
389.22849	1.7
421.59879	0.3
463.63086	0.3
535.29004	0.7
551.28259	14.5
552.28534	1.1
567.27930	0.5
861.49609	100.0
862.49969	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	861.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	1.5
61.02927	4.0
65.03961	0.5
66.76788	0.4
67.05515	3.4
69.03447	2.0
69.07075	1.8
69.12120	3.5
71.05009	0.8
71.07399	0.9
73.02935	2.6
79.05493	3.4
81.03442	1.7
81.07069	3.5
83.05004	1.0
83.08652	1.3
85.02898	3.0
86.09718	5.1
91.03945	2.1
91.05495	3.1
93.07040	3.2
95.04989	2.0
95.08643	1.5
97.02892	2.2
97.06577	0.7
98.98456	0.6
99.04479	0.9
101.02402	1.1
104.10806	0.7
105.07039	2.6
107.04994	0.6
107.08606	2.5
109.06538	0.5
109.10177	1.2
111.04472	0.8
111.08099	0.6
117.07079	1.0
119.08601	1.5
121.10220	0.5
125.00023	3.0
127.03978	0.7
129.50121	0.5
131.08617	1.2
133.10156	0.8
135.11728	0.9
136.06209	2.1
145.10179	0.9
149.09726	0.7
151.43983	0.5
163.11238	0.7
164.33492	0.5
184.07343	15.3
184.08881	0.9
185.04355	0.5
185.07712	1.1
243.08409	2.6
259.31235	0.4
275.36020	0.4
277.93475	0.4
333.20499	1.9
389.23233	0.9
439.19370	0.7
453.20871	1.1
535.28973	0.9
551.28351	10.8
551.36700	0.6
552.28821	1.2
567.28003	0.9
585.28906	0.7
676.38892	0.6
785.44269	0.5
861.49634	100.0
862.49982	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	1.4
61.02929	5.9
67.05506	6.7
69.03434	3.5
69.07074	4.0
71.01340	0.6
71.05009	0.9
71.28053	0.7
73.02934	3.5
79.05501	6.0
81.03424	2.9
81.07056	10.0
83.04982	0.8
83.08629	1.8
85.02898	5.1
86.09705	5.2
87.04494	0.7
91.03965	3.0
91.05483	5.0
93.07040	5.1
95.04990	2.3
95.08606	4.3
97.02908	4.6
97.06577	1.0
97.10176	0.8
99.04464	0.6
99.08107	1.0
101.02411	1.6
104.07148	1.3
105.07026	3.9
107.04975	1.4
107.08611	2.2
109.06527	1.2
109.10185	2.2
117.07067	0.8
119.08581	2.6
121.06535	1.8
121.10181	1.8
123.08088	0.8
123.11729	1.1
125.00047	3.4
125.00885	0.6
127.03962	1.7
129.05560	0.5
129.07057	1.0
131.03754	0.5
131.08633	1.3
132.08929	0.6
133.10147	3.3
144.29248	0.6
145.10176	0.9
147.11722	2.4
149.13283	1.0
153.45120	0.6
159.11684	0.5
163.11237	0.8
171.11655	0.8
184.07338	13.7
185.04239	0.7
185.07739	1.5
185.78932	0.6
243.08351	4.1
275.20160	1.1
277.21713	0.8
295.22824	0.6
301.08865	0.9
315.10526	0.9
331.19000	0.6
333.20303	4.6
389.23178	0.9
423.20255	1.4
465.20947	6.3
481.20551	1.0
503.37601	0.7
533.26935	1.2
550.27313	0.8
551.28217	11.6
552.28882	1.8
553.29419	1.7
556.70508	0.7
623.30505	0.9
647.33838	0.7
651.33826	0.7
693.34753	0.8
733.41693	0.7
745.41583	0.8
763.41846	1.5
775.42365	34.0
776.42737	4.4
815.45569	1.1
843.48004	6.3
861.48743	100.0
862.48950	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	861.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	4.2
67.05522	4.0
69.03461	2.9
69.07081	1.7
69.97176	1.6
71.31199	1.9
73.02898	1.7
79.05515	2.6
81.03434	2.9
81.07083	4.3
85.02943	5.0
91.03992	3.0
91.05518	2.2
93.07051	3.9
95.08614	2.5
97.02925	4.6
101.02351	2.0
110.04594	1.5
121.10167	1.5
127.03955	2.4
129.05443	1.9
146.31743	1.6
174.54237	1.5
184.07469	5.2
185.04274	4.4
196.46933	1.4
197.59480	1.5
201.03856	1.7
243.08427	3.7
301.09155	6.9
315.10742	4.6
373.11182	3.9
385.18491	7.2
469.20587	2.7
519.29254	11.9
578.31146	6.5
591.31836	3.3
605.32684	2.4
607.33978	2.0
637.28766	2.1
662.40466	5.3
703.40179	3.7
759.44055	2.6
815.45142	3.8
843.48511	2.9
861.49292	100.0
862.49744	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	4.2
67.05522	4.0
69.03461	2.9
69.07081	1.7
69.97176	1.6
71.31199	1.9
73.02898	1.7
79.05515	2.6
81.03434	2.9
81.07083	4.3
85.02943	5.0
91.03992	3.0
91.05518	2.2
93.07051	3.9
95.08614	2.5
97.02925	4.6
101.02351	2.0
110.04594	1.5
121.10167	1.5
127.03955	2.4
129.05443	1.9
146.31743	1.6
174.54237	1.5
184.07469	5.2
185.04274	4.4
196.46933	1.4
197.59480	1.5
201.03856	1.7
243.08427	3.7
301.09155	6.9
315.10742	4.6
373.11182	3.9
385.18491	7.2
469.20587	2.7
519.29254	11.9
578.31146	6.5
591.31836	3.3
605.32684	2.4
607.33978	2.0
637.28766	2.1
662.40466	5.3
703.40179	3.7
759.44055	2.6
815.45142	3.8
843.48511	2.9
861.49292	100.0
862.49744	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.3
65.03923	0.4
66.28098	0.3
67.05509	6.0
69.03431	3.8
69.03885	0.4
69.04296	2.3
69.07085	2.0
71.01348	0.4
71.05000	2.4
73.02921	3.8
79.05499	4.8
79.05914	0.4
81.03417	1.4
81.07057	5.3
83.04990	0.7
83.08643	0.9
85.02909	5.1
85.46905	0.3
87.04501	0.4
91.03966	3.1
91.05481	2.3
93.07054	3.7
95.05002	0.5
95.08607	3.6
95.09052	0.3
97.02901	5.5
97.06525	0.6
97.10191	0.9
99.04503	0.9
100.03465	0.3
101.02387	1.8
105.07046	1.9
107.08611	2.3
109.02883	0.8
109.06571	0.5
109.10189	1.4
115.03967	0.4
117.07070	0.8
119.08597	1.6
121.10148	1.4
125.09680	0.4
127.03949	1.3
129.07059	0.3
131.08553	0.6
133.10202	0.7
135.11774	0.8
142.36644	0.3
145.04987	0.4
145.10153	0.4
149.13275	0.3
159.11736	0.7
173.13322	0.4
180.66164	0.3
184.07413	0.3
185.04228	0.5
203.05324	0.8
223.37543	0.3
243.08401	1.9
263.11038	0.3
335.25995	0.4
365.23132	2.6
371.16660	0.3
513.23297	0.4
519.29327	4.8
583.30939	5.6
584.31665	0.4
617.73688	0.3
861.53357	100.0
862.53699	14.3
862.70367	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	863.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	0.7
60.79347	0.4
61.02930	3.7
67.05506	4.6
69.03435	2.4
69.07072	1.7
71.04989	0.8
73.02922	3.2
79.05486	4.7
81.03435	1.5
81.07057	5.3
82.07388	0.5
83.04999	0.6
83.08637	1.6
85.02908	4.5
86.09727	2.2
91.03965	2.1
91.05470	3.8
92.57632	0.5
93.07049	5.5
95.04993	1.3
95.08600	2.6
97.02901	3.3
97.10175	0.8
99.04430	0.6
101.02365	1.2
105.07038	3.9
107.08602	2.6
109.02916	0.6
109.10180	1.5
114.78269	0.5
117.07046	0.8
119.08630	1.8
121.06513	4.5
121.10161	1.4
123.08031	0.5
125.00053	1.4
125.09666	0.7
127.03944	1.2
131.08591	1.0
133.10138	1.9
135.11719	1.6
139.53906	0.5
145.10162	1.0
149.13319	0.8
157.10136	0.6
159.11729	0.5
161.13356	0.7
171.11777	0.6
184.07350	7.6
185.04242	1.1
185.07747	1.0
203.05441	0.5
243.08467	3.5
301.09216	1.6
351.21414	2.3
373.10867	0.6
383.16580	0.6
393.02750	0.5
397.18851	0.5
407.23782	0.6
465.20786	0.5
509.81717	0.5
535.28882	4.7
536.29132	0.8
541.22607	0.5
569.29388	6.7
641.31604	1.4
657.45514	0.7
683.46954	0.8
802.50739	0.9
845.52332	1.2
863.51172	100.0
864.51697	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.1
62.66717	0.2
67.05503	3.4
69.03432	2.1
69.07067	2.1
71.01356	0.3
71.05003	0.5
71.08637	1.0
73.02924	2.9
79.05498	2.9
79.98298	0.2
81.03428	1.4
81.07062	6.0
83.04996	0.6
83.08593	1.4
85.02905	3.7
85.06553	0.4
85.10172	0.2
86.09730	0.5
91.03954	1.7
91.05492	3.0
93.07046	2.4
95.04987	0.8
95.08608	2.1
97.02897	3.4
97.06561	0.7
98.22596	0.8
99.04478	0.9
99.08114	0.8
101.02379	1.4
105.07030	2.4
107.04949	0.3
107.08597	1.3
109.02908	0.5
109.06553	0.7
109.10181	0.9
111.08121	0.6
113.06773	0.3
117.07067	0.5
119.08575	1.7
121.06527	0.4
121.10154	1.3
123.08124	0.4
123.11749	0.6
125.00063	0.4
125.09560	0.2
127.03950	1.1
129.07076	0.4
131.08615	0.8
133.10091	1.1
135.11728	0.6
136.06212	0.7
137.09676	0.4
139.11221	0.3
143.08641	0.3
145.05034	0.3
145.10155	0.5
147.11725	1.4
149.09660	0.5
149.13318	0.8
151.11194	0.3
159.11646	0.3
161.13382	0.4
163.11263	0.4
165.12801	0.7
171.11742	0.3
175.11253	0.3
184.07356	1.2
185.04311	0.5
187.33263	0.2
195.13948	0.2
201.03685	0.3
203.05363	0.2
241.06949	0.3
243.08452	3.2
249.90320	0.2
275.20084	0.2
277.21698	0.4
284.86853	0.2
301.08987	0.3
305.20917	0.3
313.09229	0.5
315.10547	0.2
333.20462	2.1
335.21915	2.2
367.21146	0.2
369.15454	0.4
371.17047	0.3
389.23160	0.6
391.24646	0.5
423.20154	1.0
425.21686	0.8
450.16760	0.2
481.20990	0.3
483.22168	0.5
551.28253	6.1
552.28796	1.0
553.29736	6.9
554.30219	0.6
625.32043	0.5
637.32391	0.3
735.42627	0.6
863.50970	100.0
864.51434	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.5
62.95502	0.2
67.05508	3.3
68.32108	0.2
69.03429	2.2
69.07076	1.7
71.04988	0.5
71.08640	1.0
73.02924	2.7
78.45405	0.2
79.05500	2.7
79.92432	0.2
81.03416	1.2
81.07060	5.8
83.04999	0.6
83.08627	1.5
85.02905	2.6
85.06558	0.3
86.09717	0.5
87.95802	0.2
91.03950	1.9
91.05485	2.5
93.07045	2.0
93.07464	0.2
94.90887	0.2
95.01160	0.2
95.04988	0.7
95.08621	1.8
96.09002	0.2
97.02900	2.8
97.06580	0.7
97.10206	0.3
98.22564	0.5
99.04464	0.3
99.08117	0.7
101.02380	1.2
105.07022	2.0
107.04982	0.3
107.08607	1.1
109.02895	0.5
109.06536	0.6
109.10169	0.7
111.08118	0.7
117.07018	0.5
119.08582	1.5
121.06521	0.4
121.10152	0.8
123.11767	0.9
125.00055	0.2
127.03955	0.8
129.07066	0.4
131.08585	0.6
133.10152	1.2
135.08105	0.4
135.11710	0.4
136.06218	0.8
137.09633	0.2
145.10114	0.4
147.11693	1.6
149.09634	0.5
149.13309	0.6
151.11171	0.3
157.10164	0.4
161.13281	0.2
165.12788	0.6
175.11258	0.2
177.12755	0.3
179.14323	0.3
184.07335	1.5
185.04259	0.4
201.03801	0.3
241.06970	0.4
243.08423	2.4
275.20160	0.5
277.21738	0.4
301.09113	0.3
303.19385	0.2
313.09152	0.5
315.10632	0.4
327.10345	0.3
330.74011	0.2
333.20355	1.9
334.20853	0.2
335.21951	2.3
371.16974	0.3
373.95541	0.2
389.23102	0.5
390.23367	0.2
391.24582	0.5
423.20193	1.0
425.21826	0.7
481.20471	0.4
551.28259	5.6
552.28650	0.9
553.29803	7.3
554.30151	0.6
625.32031	0.5
735.42548	0.6
737.45380	0.3
863.51019	100.0
864.51514	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	866.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40427	0.9
65.03932	1.3
67.01855	1.3
68.99797	3.1
69.03422	8.2
69.39892	5.5
71.01363	2.1
71.04985	3.0
71.31333	1.1
71.46725	1.1
79.05502	3.3
81.03418	48.0
82.03774	1.1
85.02914	4.4
89.03931	2.3
91.05486	2.5
95.01271	1.1
97.02880	3.4
99.04465	5.3
105.03385	2.6
107.04956	3.3
109.00153	1.0
109.02881	28.8
113.06019	1.4
117.03332	2.0
119.04922	1.2
122.00764	0.9
123.04433	2.5
125.02367	1.3
125.81326	0.8
127.03918	31.3
131.05020	1.0
133.02838	8.8
134.41913	1.1
135.04430	3.5
137.02347	2.8
139.03891	1.6
141.05486	3.8
145.02846	3.4
147.04408	6.7
151.03917	1.9
153.01825	2.0
161.02338	11.7
163.03902	26.6
165.01833	4.6
173.02354	6.4
175.03899	4.5
177.01828	2.2
179.03375	8.6
181.01395	1.1
185.02278	2.0
187.03882	1.2
189.01830	31.2
189.03525	2.0
190.02560	3.4
191.03392	38.8
192.03780	2.0
193.01329	5.6
195.02919	2.2
201.01843	9.0
203.03365	6.9
205.01300	3.1
207.02892	24.2
208.03134	1.3
215.03291	2.1
217.01331	55.9
218.01991	7.3
219.02875	40.9
220.03197	1.6
221.00841	11.3
221.04448	4.7
223.02232	1.8
229.01346	7.1
231.02916	9.0
234.01752	1.3
235.02377	52.8
236.02910	2.0
239.01878	5.1
243.02840	2.3
245.00804	48.7
246.01433	3.3
247.02362	32.9
248.02754	1.4
249.03938	16.9
250.04230	2.0
255.03000	1.6
257.00839	4.9
259.02341	4.4
261.03915	3.4
263.01846	21.5
264.02194	1.6
269.04636	1.1
271.02313	3.0
272.97293	2.7
273.00284	51.9
274.00858	9.4
275.01831	20.5
277.03369	4.5
287.01852	3.3
289.03406	2.7
291.01355	12.5
300.99765	28.9
302.00421	3.1
303.01331	3.9
305.02866	1.2
309.02310	1.8
319.00830	61.0
320.01227	3.0
333.02463	8.1
337.01883	100.0
338.02316	4.2
351.03458	90.6
352.03790	4.2
361.01840	4.6
379.03122	1.4
393.04559	1.4
417.04434	2.2
427.02890	2.2
445.03873	11.4
463.04922	6.0
477.06653	1.2
717.03296	1.4
745.02490	1.6
763.03748	10.0
781.05072	42.3
782.05554	5.1
795.05902	4.1
799.06183	16.6
800.05780	2.2
813.07227	10.8
817.06519	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	866.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37206	0.7
69.03437	7.9
69.30331	4.8
71.01354	2.2
71.04995	2.0
75.97186	0.8
79.05494	2.0
81.03420	41.6
82.03785	0.8
83.01373	1.0
85.02911	3.1
89.03921	1.5
91.05511	1.4
95.01308	0.9
97.02904	2.9
97.74517	0.8
99.04475	6.3
105.03388	1.8
107.04984	3.0
109.02885	24.4
109.31295	0.8
111.04392	1.3
117.03397	3.4
119.04909	0.8
123.04443	1.1
125.02339	1.5
125.83434	0.8
127.03932	26.0
131.04933	1.3
133.02844	8.0
135.04427	3.3
137.02394	1.5
141.05495	3.7
145.02878	2.5
147.04439	4.1
149.02306	1.1
151.03900	2.1
153.01840	2.0
155.05882	0.8
161.02327	10.6
162.03090	1.2
163.03911	22.0
165.01839	3.5
173.02338	5.7
175.03944	3.6
177.01840	1.2
179.03401	6.9
181.01372	1.0
185.02388	1.0
187.04041	0.9
189.01811	25.6
190.02478	2.4
191.03403	29.4
193.01332	4.9
193.05017	0.9
195.02901	1.4
201.01808	6.9
203.03445	5.5
205.01318	1.7
206.02115	1.1
207.02904	22.1
208.03181	1.7
215.03317	1.5
217.01335	44.4
218.01952	6.2
219.02901	31.0
221.00807	10.2
221.04494	3.6
229.01306	5.8
231.02905	6.1
235.02383	47.1
236.02905	1.9
239.01912	3.7
239.21799	0.9
243.03011	1.8
245.00821	42.2
246.01430	2.9
247.02393	22.6
248.02744	1.5
249.03967	11.8
257.00809	3.9
259.02417	3.1
261.03888	2.8
263.01895	20.2
271.99463	1.5
273.00314	42.0
274.01056	7.7
275.01868	22.8
277.03494	4.2
287.01889	2.9
289.03442	1.5
291.01331	12.3
300.99811	22.3
302.00336	2.9
303.01437	2.6
305.02859	1.5
309.02487	1.3
319.00848	58.9
320.01343	2.8
333.02496	6.6
337.01892	100.0
338.02112	5.7
351.03485	61.0
352.03796	3.0
359.03680	1.0
361.01813	5.8
379.02945	2.3
393.04572	2.2
417.04645	3.3
427.02777	1.4
445.03979	12.2
463.04904	5.1
477.06735	1.7
481.06232	0.9
637.59705	1.1
763.04419	7.6
764.03937	1.3
781.05170	35.3
782.04694	4.0
795.06415	2.3
799.06470	9.7
800.06219	1.9
813.07745	8.2
817.06830	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	866.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.7
69.03429	2.9
71.04979	1.6
71.28591	0.8
79.05495	1.2
81.03419	47.6
82.03754	1.0
83.01329	2.1
85.02909	2.6
87.04458	0.8
87.82342	0.6
95.04939	0.8
97.02892	3.2
99.04452	3.1
105.03389	2.9
107.04932	1.8
109.02883	30.2
113.02351	1.0
115.03909	2.8
117.03389	1.5
119.01314	0.7
119.04962	1.0
121.06528	0.6
123.04464	1.3
127.03919	81.9
128.04248	1.4
133.02856	3.3
135.04425	2.5
137.02309	2.9
141.01825	1.9
143.03435	1.2
145.02827	1.2
145.04933	1.0
147.04405	4.9
149.02370	1.2
151.03938	3.1
153.01828	6.9
157.02879	0.7
161.02333	1.4
163.03903	12.5
165.01852	6.3
165.05536	0.8
173.02377	1.8
175.00279	1.6
175.03938	2.8
177.01869	5.3
177.05400	0.8
178.02554	1.2
179.03394	8.0
179.07065	2.7
181.01344	1.8
181.04988	2.3
183.02985	0.9
189.01967	0.8
190.02663	1.9
191.03400	36.8
192.00583	2.9
192.03809	1.5
193.01334	17.1
193.04993	1.7
194.01956	1.0
196.00194	0.6
201.01843	4.8
203.03357	10.5
205.01321	8.3
205.04916	1.2
206.02017	0.8
207.02895	21.4
208.03191	1.1
209.04448	0.7
211.02344	1.0
213.01938	1.0
217.01282	3.0
218.02063	10.3
219.02884	43.2
220.03267	2.3
221.00816	100.0
222.01228	3.0
223.02393	3.4
227.05516	1.2
229.01259	3.1
230.01984	0.6
231.02879	10.4
233.00839	16.6
233.04416	5.4
234.01306	1.2
235.02379	48.7
236.02744	1.7
237.03941	1.9
238.01056	2.8
239.01857	24.7
245.00870	2.3
245.04523	1.0
247.02374	39.1
248.02847	1.4
249.03903	1.8
253.03429	9.0
257.00803	10.9
258.01309	0.7
259.02429	3.9
261.03967	5.2
263.01898	1.6
265.03421	1.7
273.00418	1.4
275.01855	67.3
276.02347	3.7
277.03433	2.8
279.05087	1.8
285.00317	2.4
289.03397	14.9
290.03998	0.9
291.01712	0.9
291.05002	1.2
293.02939	7.1
300.99759	0.7
303.01373	17.5
305.02960	1.1
307.04489	3.9
317.02869	3.4
319.00934	3.1
320.47256	0.7
321.02411	13.2
331.08063	1.2
333.02557	0.8
335.03961	14.4
337.01727	1.4
339.03421	1.5
347.04047	0.9
351.03586	1.1
353.05035	44.5
354.05295	1.9
361.05392	0.8
363.03363	0.8
419.06277	1.2
429.04694	3.5
445.03720	1.5
447.05597	7.3
461.07315	5.9
463.05151	0.9
465.06516	1.9
479.08206	9.5
497.09006	1.4
551.09747	1.1
699.07635	1.8
717.08746	2.9
731.10016	1.4
739.07776	1.1
767.06592	1.4
771.09583	2.7
781.05432	2.4
785.08313	10.2
786.08435	1.0
799.09814	10.9
800.09131	0.8
813.10754	0.8
817.11035	11.3
818.10736	1.3
831.12573	15.0
832.11298	1.7
849.13617	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	866.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57483	0.9
69.03422	4.2
69.42047	1.9
69.42445	3.0
71.01339	1.1
71.04977	2.6
81.03420	51.3
82.83846	1.0
83.01346	1.9
85.02901	3.9
97.02890	2.5
99.04451	4.4
105.03410	1.2
107.04984	1.3
109.02879	34.0
114.12743	1.1
115.03935	3.3
117.03363	2.0
119.04945	1.2
123.04449	1.4
125.02367	1.3
127.03915	99.3
128.04250	2.9
133.02852	4.2
135.04420	3.5
136.01517	1.1
137.02397	2.4
139.00214	1.0
141.01912	1.2
145.02846	3.7
145.04930	1.9
147.04378	4.4
149.02380	1.3
151.03917	2.9
153.01733	1.4
153.26311	1.0
157.02829	2.5
161.02359	2.2
162.03152	2.0
163.03931	15.3
165.01833	8.0
173.02306	2.6
175.03867	4.2
177.01854	7.1
177.05478	1.5
179.03407	12.0
181.01395	3.0
181.04887	1.8
183.02907	1.0
189.01770	2.7
189.05614	1.1
190.02647	1.7
191.03392	46.7
192.00467	4.9
192.03694	2.0
193.01329	18.7
193.05014	2.1
201.01825	5.9
203.03423	13.4
205.01300	8.5
205.04929	1.3
207.02885	32.1
211.02541	1.3
217.01323	3.3
218.02092	15.7
219.02884	55.1
220.03200	2.5
221.00819	100.0
222.01134	3.6
223.02307	5.4
229.01332	4.6
230.02049	1.4
231.02863	14.2
233.00807	25.6
233.04349	7.0
235.02373	85.5
236.02711	2.6
238.01115	4.8
239.01868	36.3
240.02164	2.4
243.02768	1.3
245.00731	1.4
246.01489	1.1
247.02380	47.6
248.02843	1.4
249.03902	2.6
253.03374	15.5
257.00821	16.8
258.01398	1.6
259.02347	4.7
261.03931	8.2
263.01865	1.8
265.03391	3.1
273.00348	3.7
275.01862	83.6
276.02490	5.8
277.03378	4.7
279.04987	2.6
281.02881	1.3
285.00284	4.6
287.01859	1.1
289.03421	24.2
290.03830	1.7
291.01273	2.9
291.04642	1.6
293.02878	7.1
300.99487	1.2
303.01334	23.3
307.04474	8.4
316.99701	1.2
317.03000	5.1
317.06100	1.3
319.00827	5.4
321.02393	13.0
331.32611	1.3
335.03958	22.1
336.04581	1.9
337.02042	2.3
339.03564	2.9
351.03482	2.1
353.05042	66.0
354.05423	3.1
361.05518	1.4
374.06570	1.1
380.34348	1.2
383.03494	1.5
395.05884	1.5
429.04355	3.1
443.06467	1.8
445.03818	1.4
447.05893	5.5
461.07162	9.8
462.07266	1.1
465.06607	1.4
479.08246	14.3
497.09204	3.0
539.87451	1.2
551.09534	1.4
713.09601	1.6
731.11401	4.9
732.10571	1.3
771.09900	3.3
781.05109	3.6
785.08978	4.1
799.10229	6.8
813.10321	2.7
817.10834	12.2
831.12415	28.5
832.12463	4.1
849.13354	10.6
850.12018	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	866.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	5.1
71.04982	1.4
72.39527	0.4
79.05522	0.7
81.03421	12.8
85.02923	4.3
85.06549	1.6
91.05483	0.7
93.61600	0.4
97.02894	3.3
99.04459	3.2
103.05477	0.7
107.04947	0.6
109.02893	7.1
113.06007	3.2
115.03916	1.2
127.03926	10.1
131.04974	1.0
133.02853	0.6
135.04369	0.5
141.05453	2.9
145.02934	0.9
145.05019	0.8
147.04457	2.1
153.01825	0.9
157.02820	0.8
163.03923	4.8
165.01816	1.7
173.02393	2.3
175.03908	2.8
177.01849	1.9
179.03433	2.2
185.02222	1.1
187.03911	4.8
189.01846	1.4
189.44324	0.5
190.72536	0.4
191.03383	13.8
192.03859	0.6
193.01321	3.1
195.02928	0.6
199.05875	0.5
201.01834	4.7
202.02571	0.7
202.92563	0.4
203.03365	5.2
205.01381	2.6
207.02888	7.5
213.01921	3.8
215.03413	4.1
217.01344	2.5
218.02110	5.4
219.02890	16.5
220.03305	0.9
221.00822	20.7
222.01103	1.0
223.02429	1.4
229.01323	5.0
230.02077	0.9
231.02887	20.3
232.03323	0.7
233.00832	5.5
233.04353	2.7
235.02377	21.1
236.02740	1.0
238.01033	0.8
239.01863	8.4
241.01225	3.3
243.02864	0.8
245.00844	1.5
245.04643	0.6
247.02383	17.7
248.02829	0.7
249.04013	1.2
253.03468	4.7
257.00854	11.1
258.01242	1.2
259.02396	29.9
260.02911	1.7
261.03998	3.0
263.01932	1.1
267.04987	0.7
273.00293	2.2
273.03854	1.1
275.01871	27.5
276.02567	6.0
277.03445	70.6
278.03812	3.3
279.04877	0.8
285.00272	5.8
289.03415	9.9
291.01602	0.7
291.05026	2.0
293.02850	3.2
300.99603	0.7
303.01358	100.0
304.01645	5.5
307.04492	4.2
317.02927	1.7
319.00891	2.0
321.02335	6.8
321.05600	0.7
335.03958	10.3
337.01813	3.8
351.03528	2.1
352.28781	0.5
353.05038	31.2
354.05310	1.8
363.03610	1.6
367.06552	2.7
379.06573	1.8
419.06116	0.8
429.04596	1.1
437.07382	1.2
447.05347	1.1
451.08737	2.3
461.07175	0.9
465.06735	1.6
479.08270	5.3
497.09290	7.1
498.09134	0.6
519.22003	0.5
763.04169	1.0
781.05328	1.6
799.07721	1.8
832.43024	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	866.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05430	0.5
69.03437	5.3
70.54357	0.9
70.54688	0.5
71.04993	1.9
72.39544	0.6
79.05500	0.5
81.03423	14.7
83.01340	0.6
85.02910	3.8
85.06563	1.8
89.03923	0.6
91.05499	1.3
92.13183	0.5
95.04979	0.8
97.02913	3.1
99.04459	3.4
103.05489	0.9
107.04962	0.9
109.02882	7.4
113.05970	2.4
115.03931	0.8
117.03374	0.8
117.88391	0.5
119.04966	0.6
127.03928	9.3
131.04922	0.6
133.02856	1.7
133.07584	0.5
135.04485	0.6
137.02417	0.7
141.05482	2.9
145.02881	1.4
145.04971	0.8
147.04404	2.2
149.02301	0.8
151.03877	0.9
153.01842	0.6
157.02861	0.7
159.04440	0.8
161.02393	1.2
163.03934	5.6
165.01886	1.5
173.02365	2.9
175.03926	2.6
177.01797	2.5
179.03404	2.2
181.01289	0.6
185.02373	1.4
187.03941	4.2
189.01840	1.1
190.02629	1.2
191.03404	14.5
192.00366	0.5
192.03755	0.5
193.01311	3.4
193.04883	0.6
201.01842	5.3
202.02577	1.0
203.03406	6.8
205.01385	2.0
205.04851	0.6
207.02928	5.9
213.01939	2.7
215.03392	3.6
217.01376	2.7
218.02122	4.3
219.02890	18.3
220.03233	0.5
221.00827	19.7
222.01288	0.7
223.02437	1.2
229.01311	5.5
230.02013	0.9
231.02884	21.8
233.00867	6.7
233.04454	2.9
234.01430	0.5
235.02379	20.8
238.01057	1.1
239.01860	8.4
241.01320	3.3
245.00829	2.2
245.04550	0.7
247.02390	20.3
248.02965	0.9
249.03888	1.1
253.03410	5.8
257.00836	13.2
258.01251	0.9
259.02405	28.2
260.02756	1.1
261.04001	3.2
263.01797	1.1
265.03381	0.6
268.38544	0.5
273.00400	1.8
273.03900	0.7
275.01859	31.2
276.02591	7.9
277.03445	64.7
278.03708	2.5
285.00308	6.6
287.02173	0.7
289.03452	9.0
290.03815	0.7
291.01566	0.8
291.04935	1.8
293.02927	3.1
297.03912	0.6
301.00110	0.7
303.01358	100.0
304.01678	3.9
307.04553	3.7
317.02933	1.1
319.00888	1.9
321.02457	7.5
321.05957	1.0
335.03986	10.3
336.04208	1.1
337.01898	4.7
345.02429	0.6
351.03577	1.6
353.05038	33.1
354.05249	1.5
363.03290	1.2
367.06754	2.7
379.06537	1.7
401.05350	0.5
419.06049	1.4
429.04358	1.3
437.07162	0.7
445.03989	0.8
447.05341	1.4
451.08560	2.2
461.07251	1.3
465.06750	1.1
479.08307	6.4
497.09286	8.8
657.16736	0.5
781.05096	0.9
799.07220	1.8
817.09271	0.6
831.10876	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	866.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	3.3
60.14558	0.7
61.02643	1.2
61.02929	9.6
64.19341	0.7
65.03934	1.3
67.05508	43.4
69.03433	1.5
69.07069	18.6
71.05003	1.9
71.08636	21.3
73.02910	3.8
79.05498	20.5
81.03426	2.1
81.07059	60.2
82.07398	1.5
83.04989	5.1
83.08624	16.4
85.02912	10.2
85.06553	3.1
85.10189	12.7
86.58569	0.7
89.88813	0.9
91.03972	6.6
91.05481	11.6
93.07047	35.3
95.04950	2.8
95.08610	26.6
97.02900	5.5
97.06533	6.0
97.10168	5.4
98.23389	3.1
99.08109	2.3
103.07556	1.1
105.07036	4.4
107.08600	21.0
109.06544	1.7
109.10165	9.0
111.08089	4.3
111.11710	1.6
114.04089	0.7
117.07021	4.9
119.08582	2.0
121.06485	1.0
121.10143	13.8
123.11697	4.0
124.99944	0.9
127.03916	3.1
131.08589	5.6
133.10136	5.0
135.08080	1.0
135.11673	5.8
139.11147	1.1
145.04961	2.2
149.13257	24.8
150.13589	1.0
159.11679	7.9
163.06061	1.9
177.12730	4.5
180.58975	0.8
184.07410	4.1
195.13823	7.4
213.14899	1.4
239.23779	1.3
255.92171	0.8
257.24731	1.2
269.17487	94.7
270.17773	4.1
313.27362	56.7
314.27853	2.4
321.32175	1.0
336.55823	0.8
507.40472	100.0
508.40842	9.4
866.53876	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	867.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.5
67.01877	1.2
67.05512	1.0
68.99795	9.0
71.30145	0.8
77.03944	1.6
79.05504	1.6
81.03423	8.0
83.04992	1.0
85.02905	1.5
89.03919	1.5
90.24113	0.8
93.03420	1.5
95.04982	2.3
97.02868	1.1
99.04495	1.7
102.49840	0.8
105.03365	1.5
107.04963	5.5
109.02879	8.2
109.75438	0.8
111.00807	7.7
111.04449	5.3
115.05496	1.5
117.03387	1.4
119.04976	1.6
121.02887	1.6
123.04436	55.3
123.93166	0.7
124.04746	1.4
127.03921	100.0
128.04285	2.1
131.04947	4.5
133.02837	1.2
135.04417	52.9
136.04733	1.5
137.02361	4.5
137.05905	0.8
139.03909	44.1
140.04222	1.2
141.06985	1.3
143.04959	1.0
145.02858	1.1
147.04417	7.8
149.02325	6.4
149.05984	1.9
151.03917	11.7
153.01822	1.6
153.07047	1.0
155.04890	1.3
159.04431	3.5
161.02347	2.5
161.06003	3.4
163.03911	56.3
164.04338	2.3
165.05513	5.5
167.03380	5.7
169.04996	3.3
169.06534	3.5
173.05995	4.6
175.03929	4.1
177.05486	5.8
179.03392	8.1
181.05054	1.3
181.06544	1.7
183.04518	2.3
185.05991	1.7
187.03903	7.9
189.01836	2.0
189.05528	2.6
191.03384	15.6
191.04991	1.2
192.03719	1.2
193.01292	1.8
193.05023	2.1
197.05991	4.2
201.02081	0.9
201.05513	7.1
202.05939	1.0
202.71693	0.8
203.03412	13.1
203.07031	2.2
204.03677	0.8
205.04973	2.9
207.02890	1.9
207.06499	1.1
213.05504	3.2
215.03445	2.7
215.07050	2.7
217.01393	3.8
217.04967	2.4
218.01759	1.7
219.02919	7.2
220.03290	1.2
221.00923	5.1
223.02376	1.7
225.05455	2.6
227.07124	1.2
229.04970	10.4
231.02870	2.6
231.06531	2.0
233.00870	1.5
233.04384	4.9
235.02368	3.9
237.05492	1.7
241.04903	2.9
243.06477	5.8
245.00633	2.6
245.04462	48.9
246.01120	1.8
246.04915	1.3
247.02408	4.2
247.06024	38.6
248.06415	2.5
249.03940	1.8
253.05092	2.0
255.06555	3.1
257.04486	16.1
258.05042	1.7
259.02292	1.2
259.03391	1.2
259.06033	8.9
260.06693	0.9
261.07593	2.2
263.01730	1.1
263.05518	1.6
265.04965	1.9
267.06732	1.1
269.04465	6.1
270.04974	1.1
271.06003	22.9
272.06445	1.0
273.00323	2.6
273.04358	0.8
273.07663	2.3
274.00665	2.4
274.04697	2.2
275.01941	5.8
275.05521	17.5
276.06070	1.0
280.69223	0.8
281.04532	3.1
283.06009	10.7
285.03870	1.8
287.05481	19.1
289.07077	20.3
291.08682	13.3
295.06079	1.9
297.03952	2.3
297.07529	1.2
299.05441	5.3
300.99878	1.8
301.07040	12.7
303.01431	1.1
303.04727	0.9
307.05969	1.2
309.03931	2.3
309.07407	1.3
311.05505	2.5
313.07028	3.1
319.00885	4.6
320.01196	1.8
323.05579	1.7
333.02206	1.1
337.01971	4.9
337.07138	1.0
338.02365	3.9
339.03384	3.8
341.07031	0.9
351.03555	4.7
352.03925	3.2
353.05072	3.2
361.07047	1.5
363.08777	1.3
365.06339	1.5
379.08081	3.2
383.07495	3.3
389.06451	2.1
391.08121	3.4
393.05981	4.5
394.06281	1.0
395.07629	0.9
397.09262	3.9
401.06689	1.0
405.05875	4.6
407.07660	20.1
409.09171	23.1
410.09579	1.7
411.10706	4.6
417.05634	1.5
419.07779	2.7
421.09039	3.6
425.08685	6.2
427.10291	11.8
433.09213	2.0
435.10574	1.5
437.08792	6.0
439.10507	1.2
445.03925	1.4
446.04013	0.9
449.08585	1.8
451.10168	2.9
517.10999	1.6
527.09784	3.2
541.11041	1.5
545.10992	6.5
559.12061	1.2
579.14740	3.0
615.03607	0.8
679.13934	1.4
697.14923	2.0
782.05774	2.3
783.06555	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	867.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99885	1.4
68.99787	9.7
69.59386	1.5
81.03423	4.5
89.03941	2.2
95.04983	2.9
99.04436	2.1
105.03413	1.5
107.04957	5.5
109.02898	4.9
111.00816	5.8
111.04482	5.8
117.03362	1.7
119.04971	2.0
121.02888	2.1
123.04435	53.8
123.05310	3.2
124.04759	2.5
127.03922	100.0
128.04265	2.5
131.04919	2.1
135.04420	50.1
137.02393	6.0
139.03909	45.8
147.04431	6.6
149.02361	6.1
151.03908	12.8
155.04973	2.3
156.44597	1.5
159.04425	4.1
161.02324	2.1
161.05969	3.7
163.03923	51.4
165.05466	2.8
167.03453	5.0
169.05043	3.6
169.06448	3.5
171.04335	1.8
173.06013	5.2
175.03877	2.9
177.05528	5.4
179.03349	7.1
181.06470	1.6
183.04443	2.2
185.06018	2.5
187.03923	8.7
189.05402	2.4
191.03391	8.4
193.04929	2.0
197.06004	3.5
201.05417	10.0
203.03383	15.3
203.07025	2.1
205.04947	4.2
213.05472	4.3
215.03413	2.1
215.06993	2.8
217.05185	2.1
225.05557	1.7
227.07030	1.7
229.04962	12.0
233.04361	3.7
241.04939	3.6
243.06549	6.4
245.04466	35.0
246.04842	2.0
247.06026	45.6
253.04959	3.4
255.06621	3.8
257.04434	15.9
258.04953	1.7
259.05951	14.9
261.07803	1.7
269.04590	5.0
271.05994	24.3
272.06360	2.2
275.05484	15.1
281.04544	4.8
283.06000	7.8
285.07700	1.9
287.05487	18.9
289.07089	24.5
291.08627	14.1
295.06073	3.3
297.04221	2.6
299.05606	5.1
301.07031	17.0
303.08835	2.9
307.06137	2.0
309.04102	1.9
311.05685	2.4
313.07452	1.5
323.05548	3.2
325.07248	1.9
351.04959	4.4
361.07059	1.7
365.06409	3.9
377.06989	2.5
379.01395	3.4
379.08301	4.4
383.07593	8.0
389.06506	1.9
391.08008	3.8
393.06067	6.8
395.07574	2.2
397.09167	4.5
403.01517	2.4
405.06052	5.6
407.07639	13.1
409.09177	24.8
411.10861	2.8
419.07492	3.4
421.09097	4.7
425.08588	6.2
427.10287	17.1
433.09351	2.5
437.08768	4.9
439.10098	2.2
449.08661	2.0
451.10275	4.5
517.11200	7.1
527.09937	3.8
535.12610	2.0
545.10907	8.9
557.10846	2.4
579.14856	3.9
697.15875	3.4
715.16150	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	867.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	7.7
66.04694	0.4
67.05511	3.6
69.03419	1.7
69.17477	1.2
69.17901	1.3
70.06570	0.3
71.01339	0.8
71.42802	0.3
75.04462	0.4
77.03952	0.7
77.20187	0.4
78.04704	1.7
79.05499	4.3
81.03423	1.6
81.07075	1.1
82.00550	0.5
82.04221	2.2
85.02905	4.2
89.03933	0.6
90.35329	0.3
91.04956	0.7
91.05483	6.8
93.03407	1.9
93.07045	0.6
94.04186	0.7
95.04977	4.2
97.02885	0.5
97.06533	2.1
103.05460	6.2
105.03422	2.3
105.04522	0.8
105.07051	1.8
106.04158	1.3
107.04963	8.3
108.02075	1.7
109.02879	0.4
109.06522	2.9
110.03672	3.1
111.04462	2.2
115.05463	6.9
116.06310	0.3
117.07032	6.9
118.04131	2.2
119.04951	2.6
119.08575	0.5
120.05723	1.1
121.02891	0.5
121.06512	2.2
122.03642	1.0
123.00794	0.4
123.04427	5.2
124.05222	1.9
125.06007	3.8
127.03971	0.4
127.05444	0.8
128.06201	0.6
129.07021	0.9
130.04143	0.5
131.04939	5.7
132.05711	1.2
133.02882	2.2
133.06493	3.0
133.07393	0.4
134.03629	0.5
135.04419	1.5
135.08066	0.4
136.05217	0.7
137.05969	8.6
138.03085	2.0
139.03915	1.1
140.04671	1.4
141.01843	0.5
142.02612	3.4
143.04938	1.5
143.06050	0.4
144.05713	1.0
145.02863	1.3
145.06490	9.2
146.03645	0.5
147.04414	3.0
147.08064	1.4
148.05203	4.8
149.06038	2.0
150.03206	0.4
151.03915	2.8
151.07520	2.1
152.04686	1.6
153.05475	6.6
154.06284	0.6
155.06046	4.3
155.07089	1.8
156.05753	0.4
157.06488	0.9
158.03639	0.5
158.07191	0.4
159.04433	0.9
159.08073	0.5
160.05190	0.9
161.05994	3.5
162.06778	0.7
163.03908	0.7
163.07536	4.9
165.05490	9.0
166.02637	0.5
166.06238	0.8
167.07045	49.3
168.07451	1.3
171.04422	0.7
171.06558	4.8
172.05191	0.4
173.05984	16.0
174.06653	0.9
175.03897	0.7
175.07539	2.3
176.04677	1.2
177.05481	3.8
177.09206	0.7
179.03267	0.5
179.07074	2.3
179.08458	0.4
180.04179	1.1
180.07828	1.5
181.04962	100.0
182.05322	2.2
182.89769	0.4
185.06010	0.5
187.07549	0.5
188.04768	0.5
189.05475	1.4
189.08955	0.4
190.02509	0.3
190.06201	1.1
191.07028	12.5
193.04950	4.2
193.06467	0.6
194.05611	0.4
195.06499	2.9
197.08084	1.1
199.07520	0.8
201.05461	0.7
203.07018	2.7
205.04910	1.0
205.08597	5.7
206.07283	0.9
207.06502	5.5
207.08165	0.6
208.07213	2.2
209.08090	1.2
211.07672	0.6
213.05435	0.7
217.08659	1.3
219.06508	1.4
219.08224	0.8
219.09991	0.7
220.07224	2.0
221.06013	0.5
221.08020	0.9
222.06714	0.6
223.05978	1.3
223.07835	0.8
225.07571	14.9
226.08286	1.1
231.06561	1.3
233.05977	0.6
233.08057	7.3
234.06726	0.9
234.08652	0.7
235.07489	1.4
235.09602	5.7
237.09074	0.5
241.08586	0.8
245.08038	0.7
247.07552	0.6
249.05405	0.5
250.06386	0.7
251.06908	0.7
252.07718	0.6
255.10031	0.4
262.06216	0.5
263.07016	1.0
263.09229	1.5
264.07648	0.7
265.08572	1.4
267.06744	0.5
267.10156	1.0
269.08087	0.6
269.11765	0.5
277.08670	0.7
278.05902	0.4
279.06488	0.6
279.10065	0.5
282.08850	0.6
283.09647	0.8
289.08167	0.4
293.08054	1.2
294.08740	0.5
295.06192	0.5
295.09665	0.7
297.08014	0.6
297.11328	1.3
299.09085	0.5
307.09631	1.0
309.07645	0.7
309.11075	0.6
310.08310	1.1
311.09113	0.8
313.10654	0.5
317.10352	0.5
321.07578	0.5
323.09225	1.0
325.10638	2.3
329.10135	0.7
329.13644	0.4
337.10919	0.7
339.12244	0.7
340.92133	0.4
341.09818	0.4
343.11819	0.9
353.10107	1.4
355.11810	1.5
357.13239	4.2
358.13791	0.5
359.11206	1.7
365.10120	0.5
367.07724	0.4
367.11780	0.9
369.13272	0.7
383.11230	0.9
384.12381	0.4
385.12830	22.9
386.13223	3.0
387.14383	2.3
397.12732	2.2
398.13516	1.0
399.14056	0.6
405.12164	0.9
415.13751	3.0
416.14630	6.9
417.15399	11.9
418.15747	0.5
429.15637	0.6
549.17474	0.6
561.17596	0.8
579.18500	1.0
581.20093	0.5
591.18573	0.5
592.19586	0.6
611.21411	3.6
641.22272	46.3
642.22534	4.4
690.85016	0.4
817.26538	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	867.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.4
69.03425	0.6
69.77357	1.3
81.03399	1.4
85.02900	0.9
89.03909	0.7
91.05469	0.5
93.07051	0.6
94.06557	1.3
95.07330	1.0
96.08134	1.8
97.02888	0.8
106.06551	0.3
108.08125	2.1
109.02859	1.1
110.09676	3.1
116.04982	3.1
120.08100	2.5
122.06021	3.2
123.06747	0.4
124.07604	1.9
127.03931	1.7
132.04376	0.6
133.49792	0.4
134.06004	0.5
136.07571	4.7
138.09145	4.5
144.04446	8.8
146.06013	1.1
148.07567	1.4
150.09145	0.5
151.06242	1.7
152.07068	4.3
153.01846	0.6
162.05513	4.5
165.07848	3.0
166.08640	17.2
167.09079	0.5
168.06602	0.6
172.03931	52.8
173.04315	1.6
174.05518	0.8
184.09668	1.8
190.04990	6.2
191.03362	0.4
203.03566	0.4
204.06561	100.0
205.06863	3.1
205.66490	0.3
210.07605	0.6
210.53642	0.3
211.08493	1.0
214.11050	0.4
219.02861	0.5
221.00797	0.8
221.04533	0.4
223.45129	0.3
225.10165	0.5
226.10744	32.3
227.08229	0.7
227.11072	0.8
235.02309	0.6
239.08157	0.7
239.11916	0.4
241.09763	0.6
242.10472	0.5
247.02376	0.7
249.03859	0.4
253.09688	1.5
256.11935	0.4
257.13092	0.5
269.09039	0.7
275.01981	0.5
275.13910	1.0
279.11166	0.8
281.09195	1.1
289.15204	0.5
297.12640	0.8
301.11804	1.1
302.12228	0.4
311.13998	0.4
313.11786	1.2
317.14954	4.9
325.11807	3.9
329.14917	1.3
334.09033	1.2
339.03589	0.6
339.13425	1.9
340.03812	0.6
341.14914	0.4
343.12842	2.0
353.05151	0.7
354.05167	0.4
357.14444	27.3
358.14914	1.5
367.13147	0.5
382.04678	0.4
392.15970	0.6
434.17096	0.7
466.19501	0.6
487.17255	3.1
488.17337	0.4
501.18704	0.8
508.20740	4.7
509.21518	0.5
519.19391	2.5
540.23273	1.2
663.92230	0.4
670.25977	4.6
682.25153	0.5
702.29193	0.8
744.20447	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	868.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	1.3
69.03424	3.7
70.25105	1.2
70.85224	1.2
70.85545	1.1
71.04984	2.9
77.03898	1.0
81.03422	37.7
82.03792	1.2
85.02908	2.9
91.05511	1.4
97.02888	2.8
99.04459	4.7
107.04948	2.6
109.02886	23.5
115.05389	1.0
119.04993	1.4
127.03921	48.1
128.04250	1.2
131.04936	1.1
133.02866	2.7
133.86548	0.9
134.33835	1.0
135.04457	2.1
137.02382	3.5
141.01833	1.7
141.05473	4.1
145.02832	2.2
147.04434	8.7
148.16890	0.9
149.02295	1.6
151.03882	1.2
153.01791	2.1
157.02916	1.4
159.04420	1.3
161.02339	2.5
163.03934	19.5
165.01817	6.2
165.05461	1.0
173.02351	2.5
175.03940	4.6
177.01823	5.2
177.05406	1.4
179.03419	7.2
181.01360	1.4
181.04991	2.0
186.63391	1.1
187.03922	1.6
189.01836	7.1
191.03392	47.0
192.03842	1.9
193.01350	16.8
193.04933	3.6
201.01855	6.1
203.03442	11.0
205.01270	5.6
207.02930	10.1
213.01721	1.4
215.03459	1.9
217.01302	11.3
218.01886	1.5
219.02902	63.8
220.03299	1.4
221.00819	75.8
221.04446	4.2
222.01134	3.5
223.02367	3.7
229.01369	4.5
231.02892	13.5
233.00809	25.3
234.01120	1.0
235.02370	19.6
235.04570	1.8
237.03894	1.6
239.01845	16.9
245.00819	12.7
247.02391	53.4
248.02785	2.7
249.03978	6.0
251.01865	1.4
253.03418	5.2
257.00821	8.0
259.02383	16.5
260.02814	1.3
261.03830	1.5
263.01752	5.3
265.03464	3.1
273.00272	13.0
275.01871	100.0
276.02216	3.7
277.03455	14.8
279.04971	2.4
285.00443	2.9
289.03281	1.8
291.01456	4.7
291.04581	1.2
293.02902	10.1
300.99802	4.9
303.01358	29.8
307.04459	3.2
319.00861	31.6
320.00961	1.4
321.02426	18.9
335.03922	4.5
337.01868	14.9
338.02234	1.6
339.03488	77.2
340.03787	5.2
351.03818	1.3
353.05035	71.9
354.05472	3.9
361.01968	2.3
374.32739	1.1
395.05911	1.4
403.03137	1.3
429.03946	1.4
445.04120	7.7
447.05365	7.7
463.04965	3.8
465.06610	3.7
660.61163	1.2
765.05542	2.9
783.06689	40.8
784.06934	4.8
797.07703	3.0
801.07654	15.1
802.07660	2.3
815.09180	5.4
819.08972	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	868.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90189	0.9
67.01879	1.4
69.03420	6.1
69.18759	6.5
71.05000	2.3
79.05468	2.1
79.50923	1.0
81.03422	44.1
83.01357	1.8
85.02912	2.8
85.06507	1.1
89.03940	1.6
91.05484	2.1
97.02907	4.5
98.23383	2.1
99.04453	5.1
105.03414	1.8
107.04972	3.0
108.04464	1.5
109.02882	30.0
117.03390	2.5
117.06418	1.1
119.04958	1.8
121.02934	1.0
127.03918	55.1
133.02875	4.2
135.04405	4.8
137.02321	2.6
141.05479	7.6
145.02888	1.6
147.04420	10.2
149.02385	2.2
151.03838	1.8
153.01831	1.6
157.02850	1.3
159.04480	2.6
161.02345	3.8
163.03909	22.9
163.05177	1.8
164.04477	1.2
165.01869	6.6
165.05472	1.4
167.03358	1.2
173.02379	3.8
175.03909	6.7
177.01785	5.3
177.05519	1.3
179.03383	5.1
180.06392	1.2
181.01329	1.6
181.04990	1.8
187.03912	2.0
189.01814	8.7
191.03400	62.1
192.03760	3.1
193.01338	16.3
193.04996	3.7
195.02864	2.4
197.90010	1.1
201.01831	5.9
203.03389	17.2
205.01273	8.7
205.05060	2.7
207.02881	11.9
209.00926	1.3
213.01794	1.6
215.03461	1.4
217.01352	16.7
218.02066	1.6
219.02895	70.7
220.03366	2.4
221.00829	71.8
221.04443	5.5
222.01224	3.2
223.02386	5.7
229.01320	4.2
231.02876	17.2
233.00812	23.9
235.02377	19.4
237.03969	2.4
239.01874	18.7
243.03156	1.1
245.00842	13.6
247.02391	57.3
248.02774	1.7
249.03940	7.8
251.01886	1.9
253.03395	5.2
257.00842	9.8
258.01117	1.1
259.02414	18.8
261.03888	2.7
263.01843	6.1
265.03293	5.0
273.00308	13.1
274.00943	1.8
275.01862	98.3
276.02109	5.5
277.03464	19.2
279.05045	1.2
285.00189	3.4
291.01276	5.2
293.02869	10.6
300.99780	6.2
303.01361	36.4
304.01657	1.9
307.04379	3.4
319.00836	37.0
319.04575	2.5
320.01172	2.8
321.02396	16.1
333.02579	1.6
335.03986	2.9
337.01904	21.9
337.05637	1.9
338.02167	2.3
339.03470	100.0
340.03830	5.6
351.03461	2.3
353.05045	64.3
354.05389	3.7
361.01990	2.6
379.02945	2.5
395.06326	1.6
403.03146	1.2
419.06570	1.1
445.04001	10.6
446.03894	1.1
446.28079	1.1
447.05423	4.8
463.04984	4.8
465.06476	3.0
517.06366	1.4
657.97748	1.3
737.05408	2.4
763.15070	1.2
765.05139	4.1
783.06683	46.3
784.06934	6.1
797.07855	4.3
801.07861	11.2
802.08282	1.4
815.09094	7.5
816.08838	1.5
819.08588	2.2
833.10065	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	868.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.0
62.84079	3.2
65.03944	8.2
66.07543	2.3
66.24258	2.5
66.69648	2.4
67.05508	56.5
68.99765	2.3
69.03427	7.3
69.07063	14.7
69.59974	7.0
71.01353	8.4
71.04991	9.0
73.02935	4.0
79.05499	56.1
81.03422	88.0
81.07063	50.7
83.01385	4.4
83.04985	21.4
83.08610	25.0
85.02919	27.4
85.06538	4.3
91.05488	66.5
92.62835	2.6
93.07044	40.3
95.01324	15.1
95.04969	46.7
95.08604	23.6
97.02895	17.4
97.06534	9.7
97.10181	8.3
98.23328	5.3
99.08109	3.0
103.05508	2.8
105.03421	4.4
105.07034	43.6
107.04955	24.7
107.08631	17.2
109.02899	8.0
109.06524	10.5
109.10172	17.4
110.73559	2.3
111.04430	6.2
111.08083	11.3
113.02341	4.6
113.06007	5.4
115.05482	3.2
117.07041	15.5
119.04945	8.9
119.08588	35.6
121.02860	7.9
121.06493	21.0
121.10185	14.5
123.04453	11.9
123.08081	9.2
123.11741	5.7
125.02392	3.4
125.09634	6.5
127.03908	4.0
129.07010	30.5
131.04953	9.9
131.08553	22.4
133.02869	4.5
133.06519	12.4
133.10147	28.5
135.04428	12.6
135.08090	7.4
135.11681	2.9
137.05960	8.0
137.09618	5.0
139.03914	6.7
141.01866	4.0
141.06958	5.5
142.07791	3.8
143.08612	8.3
145.02826	4.2
145.06471	7.3
145.09082	2.6
145.10066	13.2
147.04414	22.4
147.08049	9.4
147.11703	30.0
149.02379	3.2
149.05989	9.8
149.09610	13.5
151.03940	16.1
153.05528	4.7
155.08577	6.5
157.06493	7.4
157.10117	29.6
159.04497	4.5
159.08109	4.6
159.11690	6.8
161.06035	12.9
161.09644	7.3
163.03880	13.3
163.11140	3.6
165.01895	3.6
165.05574	2.8
165.12766	6.1
167.07172	3.2
167.08495	5.9
169.05072	6.2
169.06448	3.4
169.10172	6.4
171.04417	2.9
171.07983	5.2
171.11710	7.6
173.06046	9.4
173.09631	4.7
173.11850	6.1
175.03911	15.8
175.11221	23.2
177.05495	10.6
177.09042	3.1
177.12895	2.5
179.03423	5.9
181.04999	7.6
181.10117	3.3
183.08110	3.9
183.11610	3.4
185.05995	3.8
187.03918	3.9
187.11244	7.5
189.05513	5.0
189.12753	3.3
191.03407	6.2
191.06960	4.3
193.04979	3.7
193.12253	47.2
195.08009	2.9
195.11749	3.6
197.06027	3.3
197.09654	6.7
199.03911	6.7
199.07642	3.4
199.11165	6.8
201.05479	4.8
201.09024	2.8
203.03377	5.5
203.10628	3.8
205.12311	4.0
211.13274	50.0
213.09055	3.2
215.10687	11.2
217.04970	3.2
217.12297	6.7
221.11636	3.0
225.09058	3.5
227.10622	7.5
233.11763	5.0
241.12270	10.4
243.10138	7.5
245.11682	6.1
249.14748	4.1
251.12917	3.2
255.10182	3.4
259.13345	4.7
261.11246	5.7
267.15915	69.8
268.16461	2.7
269.11569	5.0
271.13257	5.7
279.12494	3.4
283.15311	3.3
285.16986	45.4
287.12802	28.7
289.11029	2.8
289.14395	8.9
297.10986	3.7
299.14944	4.5
305.13879	10.9
307.15335	4.8
315.12323	17.9
317.14743	2.9
323.14954	2.9
333.13309	39.3
351.14182	12.6
363.17996	4.0
369.15497	5.3
389.15918	5.3
407.17065	42.1
425.17889	21.1
441.26031	3.0
443.19144	10.3
459.27396	5.4
477.28204	6.0
509.27118	3.2
539.26306	4.4
543.25916	2.8
553.27747	3.3
557.27832	14.6
563.28015	5.2
571.28955	4.0
581.27209	6.2
589.30176	3.5
599.28473	64.1
600.28497	7.7
617.29486	89.5
618.29669	15.3
629.77722	3.4
635.30597	100.0
636.30530	10.8
653.31659	47.2
654.32031	4.1
685.70032	2.9
779.34686	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	868.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.8
65.07637	1.1
67.05509	58.5
69.03438	10.6
69.07073	37.1
69.07399	0.8
71.04381	2.4
71.05013	13.3
73.06590	1.0
77.03909	1.1
79.05498	51.1
81.03419	11.0
81.07062	75.9
82.07388	1.9
83.04970	8.2
83.08621	30.8
85.02897	2.0
85.06551	3.2
91.05483	53.4
92.05819	1.6
93.06473	2.5
93.07047	45.8
95.01325	1.9
95.04971	20.1
95.08055	1.9
95.08615	30.6
97.02877	10.3
97.06519	11.6
97.10172	13.8
98.23394	1.9
99.08092	3.1
103.05463	2.7
105.04517	1.4
105.07037	47.1
107.04281	2.1
107.04959	23.7
107.08597	34.6
109.02874	1.6
109.06525	15.0
109.10158	17.5
111.04448	4.5
111.08076	9.1
113.06013	1.4
113.09637	2.3
115.05444	1.3
117.07030	17.5
119.04955	2.1
119.07777	2.3
119.08587	31.7
120.05725	1.5
121.06526	9.6
121.10148	17.1
123.04429	1.7
123.08072	11.3
123.11722	5.8
125.09615	10.9
128.06210	1.3
129.05424	1.0
129.07014	6.6
130.07770	2.0
131.08577	22.8
132.08875	1.3
133.06523	4.9
133.10139	30.9
134.07240	1.9
135.08057	9.6
135.11705	8.8
137.06007	1.4
137.09593	7.9
139.11183	2.0
141.06985	1.3
142.07811	1.0
143.08560	7.7
145.06511	2.1
145.10126	22.4
147.08044	7.3
147.11703	13.8
149.09639	15.0
149.13280	5.7
151.11211	9.6
152.07010	1.1
153.09175	1.4
155.08530	2.9
157.10127	6.3
159.08072	1.8
159.11682	10.9
161.09641	5.0
161.13272	4.7
163.07635	1.3
163.11186	15.9
165.12752	4.2
169.10182	3.0
169.12296	1.8
171.10300	1.5
171.11682	5.2
173.13248	5.4
175.11182	5.2
177.12727	4.9
178.85382	1.1
179.10649	1.4
183.11734	4.1
184.07437	1.5
185.13251	3.6
187.11186	2.1
187.14793	2.0
189.11218	4.3
189.12750	2.0
191.14337	1.8
193.12180	3.3
195.13835	1.7
197.13371	2.1
201.12842	1.6
203.14406	1.2
205.12289	1.9
213.16515	1.2
217.16068	1.2
219.02118	1.0
223.13298	17.2
227.12807	5.8
229.19464	2.8
239.17984	4.8
245.18962	2.6
247.20576	4.1
249.14879	3.3
253.14372	14.9
255.17537	1.8
257.18988	8.4
267.15768	2.6
273.18515	18.7
275.20078	63.3
276.20459	3.4
291.19556	100.0
292.19785	5.2
293.21078	6.4
307.22687	4.5
313.27539	3.0
331.22772	1.7
347.22076	6.6
349.23743	42.3
350.23978	2.0
365.23239	63.4
366.23798	4.0
367.24728	2.4
381.26349	16.2
475.30518	1.5
545.34607	3.2
547.13086	1.3
559.35950	2.6
575.35577	1.3
577.36865	2.5
621.41284	4.5
639.42560	65.6
640.42798	7.1
653.44098	1.7
657.43433	6.8
671.45209	25.1
672.45233	2.6
833.87848	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	868.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.8
61.05583	0.8
65.03947	3.5
67.05508	47.2
69.03429	10.6
69.07070	39.9
71.04372	2.0
71.05011	16.4
71.08633	0.9
74.32971	1.0
77.03915	0.9
79.05495	50.2
80.27978	0.9
81.03423	8.5
81.07059	83.9
82.07395	1.0
83.04987	7.6
83.08621	18.3
83.83031	0.9
85.02910	2.2
85.06551	3.0
88.25629	1.0
90.78562	0.8
91.05483	39.9
92.05807	0.8
93.07047	37.7
95.04969	16.5
95.08612	28.6
97.02888	10.9
97.06526	8.1
97.06966	0.8
97.10170	14.5
98.22554	1.7
99.04456	1.1
99.08116	3.1
103.05414	1.2
105.04516	1.8
105.07034	35.9
107.04962	17.2
107.08601	24.7
109.06519	22.2
109.10159	14.1
111.04446	4.9
111.08093	4.7
113.09640	2.7
114.15128	0.9
115.05452	2.2
117.07014	11.6
119.04989	2.1
119.08583	28.6
121.06496	9.4
121.10130	14.3
123.08067	8.0
123.11729	5.0
125.09625	11.0
129.06999	5.0
131.08563	20.8
133.06494	5.5
133.10124	16.1
134.07303	1.4
134.10446	1.3
135.08057	7.0
135.11703	8.8
137.09622	6.4
139.11188	1.6
141.07037	1.6
142.07803	1.1
143.08569	6.4
145.06517	1.6
145.10127	14.4
146.10391	1.0
147.08060	6.9
147.11703	13.4
149.09633	9.5
149.13252	6.3
150.10037	1.1
151.11212	3.2
153.09128	1.4
155.08620	1.5
157.10112	3.4
158.10913	0.9
159.08025	1.2
159.11678	8.2
161.09630	2.7
161.13261	3.8
162.10381	1.2
163.11194	9.1
163.14835	3.2
165.09146	1.9
165.12787	4.4
169.10153	2.3
171.11674	2.9
173.09648	1.6
173.11902	1.7
173.13327	3.2
175.11230	3.9
177.12744	2.8
183.11662	1.7
185.13264	1.5
187.11189	2.2
187.14835	1.7
189.11247	3.2
191.14207	1.1
193.12341	1.7
195.11874	0.9
195.13715	1.3
199.14864	1.1
201.12698	1.3
205.12283	3.5
223.13297	16.7
227.12711	5.3
227.18115	1.0
229.19536	2.2
239.17877	2.4
245.18892	1.2
247.20625	3.4
249.14905	3.5
249.80934	0.8
257.18988	5.9
267.15909	3.1
273.18506	15.6
275.20065	55.9
276.20456	3.3
291.19543	100.0
292.19983	5.3
293.21066	6.9
307.22729	6.8
309.20700	1.0
335.25830	1.0
347.22226	4.5
349.23773	28.6
350.24069	1.7
363.34686	1.0
365.23239	65.3
366.23520	3.7
372.03552	1.0
381.26352	22.4
382.26758	2.1
412.40753	0.9
541.34961	1.1
543.36511	1.1
553.23212	1.0
559.36346	3.4
621.41272	2.9
639.42542	78.1
640.43054	9.8
653.44281	1.4
657.43469	7.1
658.44391	1.5
671.45123	29.1
672.45166	2.8
705.72131	1.1
710.46320	1.2
868.58246	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	868.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	1.4
65.03937	4.8
67.05506	60.1
68.05827	1.4
69.03439	7.5
69.07072	21.6
71.04408	1.0
71.05003	20.4
71.08630	1.9
71.36829	0.9
73.56578	0.8
77.03934	1.6
79.05496	48.7
81.03416	9.3
81.07059	100.0
82.07378	1.9
83.04990	9.2
83.08624	13.1
84.63624	1.0
85.02905	3.0
85.06551	5.7
85.27766	0.9
86.09752	1.1
91.03946	1.8
91.05485	58.6
92.05812	1.6
93.07044	44.7
94.07393	1.0
95.04977	16.8
95.08614	30.7
96.08939	1.5
97.02908	2.3
97.06535	11.2
97.10162	2.5
99.04458	2.8
99.08095	3.6
103.05466	2.2
105.04510	1.4
105.07034	54.5
107.04961	14.3
107.08601	34.5
109.02865	1.7
109.06522	23.0
109.10161	38.8
111.04446	9.6
111.08119	5.1
113.06015	1.7
113.09659	2.8
115.05481	2.3
117.07011	12.7
119.08583	26.3
119.67519	1.0
121.06499	10.8
121.10147	11.2
123.04420	1.3
123.08073	7.4
123.11710	9.4
125.05985	1.7
125.09630	3.5
127.07571	2.3
128.06210	1.0
129.07001	5.9
130.07832	1.3
131.08562	19.5
133.06546	4.4
133.10130	57.7
134.10466	2.1
135.08066	8.1
135.11667	7.6
137.06004	1.2
137.09618	6.5
137.13280	1.4
139.07510	1.1
139.11179	1.5
141.07018	2.0
141.18298	0.9
143.08545	5.2
145.06482	1.7
145.10126	14.6
147.08069	4.1
147.11688	13.2
149.09630	10.8
149.13242	6.1
151.07623	1.1
151.11179	26.3
151.12314	1.9
153.09097	0.9
153.12733	1.0
155.08585	2.2
157.10132	5.7
159.08139	1.7
159.11661	8.0
161.09584	6.8
161.13257	4.0
163.11205	7.3
163.14838	1.8
165.12735	4.7
169.10136	2.5
169.12302	4.3
171.11720	5.0
173.09618	1.4
173.13263	3.7
175.02522	1.1
175.11168	5.2
175.14891	1.4
177.09163	1.1
177.12772	2.2
179.10693	2.0
184.07417	1.9
185.13216	1.6
187.11118	2.1
187.14896	1.0
189.12703	2.1
190.49677	1.1
197.13338	2.3
199.14894	2.1
201.12862	1.5
205.12296	1.3
207.13844	1.6
215.12807	2.7
215.18030	0.9
223.13237	1.0
227.18044	1.1
229.19566	1.9
239.17975	2.3
245.19073	3.0
247.20601	3.3
251.12721	1.9
253.14354	97.4
254.14798	4.8
255.17378	2.1
257.19019	4.6
259.20483	1.0
263.20013	1.7
267.15884	1.1
271.15491	3.7
273.18500	17.9
275.20084	51.2
276.20438	1.8
289.21756	1.5
291.19583	19.6
292.19965	1.2
293.21204	3.4
307.22620	12.4
309.20471	1.3
313.27536	4.4
325.76132	0.9
347.22183	9.1
349.23807	15.6
350.23944	1.6
365.23236	31.4
366.23621	2.4
367.24545	1.1
381.26370	24.8
383.24423	1.2
509.38086	2.6
527.33496	2.3
545.34845	11.8
559.36188	2.7
577.37292	8.6
621.41913	4.7
639.42493	20.7
640.42340	2.7
653.43866	1.5
657.43512	2.4
671.45209	31.8
672.45007	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	868.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.0
65.66677	1.6
67.05511	84.1
67.05875	4.3
69.03428	7.6
69.07069	32.8
69.70793	1.8
71.05010	9.8
79.05495	68.0
81.03436	13.6
81.07063	97.1
82.07396	3.8
83.04971	15.9
83.08624	38.5
85.02905	3.2
85.06544	7.0
91.05485	92.6
93.07050	65.4
95.04974	35.8
95.08611	41.4
97.02888	2.0
97.06541	13.4
97.10153	8.0
98.22540	2.8
99.04488	3.1
99.08134	2.3
103.05427	3.0
105.04533	2.2
105.07040	70.7
106.98928	1.8
107.04971	25.3
107.08601	50.4
108.08923	2.1
109.06509	16.3
109.10160	45.0
110.10410	1.7
111.04445	4.8
111.08096	10.7
111.53214	1.7
113.09615	1.8
115.05494	3.7
117.07029	21.8
118.97866	2.0
119.08585	40.4
121.06536	11.0
121.10140	20.5
123.04401	2.7
123.08076	10.1
123.11692	8.4
125.09652	6.0
128.06189	3.5
129.07016	10.5
130.07816	2.6
131.08577	29.3
133.06503	6.7
133.10130	74.0
135.08086	10.8
135.11714	12.7
137.09621	5.4
139.07550	2.5
139.75764	1.9
140.48923	1.8
141.06995	2.9
143.08554	8.6
145.06514	2.1
145.10124	25.6
147.08061	5.3
147.11693	17.2
149.09631	23.9
149.13271	5.1
151.11166	31.8
151.12305	2.4
155.08522	4.0
157.10158	8.3
159.08073	2.6
159.11728	11.5
161.09686	9.8
161.13268	7.6
163.11191	20.7
165.12778	7.2
169.10114	4.8
169.12222	5.4
171.10339	1.8
171.11668	10.3
173.09604	5.4
173.13338	5.4
175.11200	5.0
175.14841	2.5
177.09036	2.1
177.12766	4.8
179.10629	3.9
179.14233	2.4
183.11754	5.3
184.07397	3.1
185.13278	4.2
187.11150	1.9
189.11240	3.8
189.12776	3.9
193.12263	3.1
197.13307	3.8
203.14534	2.3
205.12253	6.0
207.13849	3.8
213.12788	2.1
213.16382	2.4
215.12709	4.8
219.13782	2.2
223.13297	3.6
227.12877	3.1
229.19560	2.9
233.15337	2.5
239.17915	5.3
245.19043	4.0
247.20592	2.8
253.14365	100.0
254.14749	4.6
257.18939	11.3
263.20157	4.1
271.15280	5.8
273.18506	38.4
274.18976	1.9
275.20090	76.0
276.20425	6.6
281.17468	3.1
291.19568	44.7
293.21152	7.4
307.22641	3.4
309.20572	5.5
329.21179	3.0
331.22766	3.5
333.24063	2.3
335.25784	4.9
347.22238	17.2
349.23749	48.8
350.24329	2.8
365.23264	47.0
381.26328	18.7
527.33765	10.9
529.35638	2.4
545.34827	23.5
559.36188	4.7
577.36951	2.8
621.41547	11.0
625.44214	4.4
639.42517	50.2
640.42523	6.7
655.10394	2.0
657.43231	5.7
670.44928	2.2
671.45044	33.6
809.46204	2.0
873.21198	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	869.156
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42222	0.2
65.03932	1.1
67.01880	0.3
67.05491	0.9
68.99783	2.3
69.03429	0.9
69.07042	0.2
70.06593	0.2
71.01381	0.2
71.26012	0.3
73.94023	0.2
78.01590	0.1
79.01849	3.9
79.05498	0.3
81.03425	0.4
83.04966	0.8
84.04500	0.3
84.06736	0.2
91.05473	0.3
91.64977	0.2
93.03388	1.0
95.04967	0.8
97.02905	1.3
105.03394	0.3
107.01326	1.0
107.04943	0.3
111.04446	5.1
121.02890	0.5
123.00768	0.2
123.04425	2.1
125.02367	1.7
127.03912	4.4
135.04417	0.6
137.05940	0.2
139.03902	100.0
140.04248	2.2
141.06999	0.2
143.03400	4.4
145.02841	0.2
151.03909	18.7
152.04274	0.4
153.01831	60.6
153.02917	4.0
154.02156	1.4
155.04935	0.2
157.06494	0.2
163.03909	13.4
164.04268	0.4
165.01860	0.6
165.05504	0.4
169.06499	0.6
175.03940	0.4
177.05499	0.5
179.03362	0.3
179.04935	0.2
181.03343	0.2
181.04958	3.3
181.06496	0.7
182.05334	0.2
183.02882	0.6
183.04350	0.3
185.06062	0.5
189.05507	1.0
193.04956	0.2
194.93102	0.2
197.06000	1.3
199.03920	0.5
199.07541	0.2
201.05495	0.6
203.07027	0.8
205.04880	0.3
207.02795	0.3
207.04456	0.4
209.05968	0.9
211.03882	0.4
213.05472	5.6
215.07036	0.7
217.04967	1.5
220.05289	0.4
225.05519	1.4
227.07031	0.7
229.04959	0.9
231.06473	1.5
233.05988	0.6
235.03874	0.6
235.07498	0.2
237.05487	2.0
238.06227	0.6
239.06583	0.2
241.04970	5.0
243.06401	1.3
245.04602	0.3
247.07899	0.4
249.05426	0.2
251.07031	1.0
253.04968	3.5
254.05339	0.2
255.06494	1.4
257.04462	0.4
259.05902	2.1
261.05579	0.3
265.02121	0.3
265.04956	4.2
265.07672	0.3
266.05667	0.6
271.05914	3.8
275.07037	0.3
277.04181	0.4
277.07065	6.0
279.06491	0.6
281.08200	0.3
283.05917	1.6
287.06921	0.5
289.06842	1.5
291.04965	0.9
295.06000	0.2
297.15170	0.2
299.07047	0.4
301.06989	0.5
302.05682	0.2
303.06409	0.3
306.98196	0.2
307.06055	0.3
316.07294	0.2
317.08078	1.0
323.08792	0.2
327.06454	0.5
329.08148	0.2
331.05447	0.2
333.05981	5.8
335.09219	0.4
339.06735	0.2
345.07611	2.1
351.08795	0.3
357.07434	0.5
361.07104	0.4
363.08618	2.3
365.06360	0.3
367.08099	0.6
373.07230	0.4
375.08929	0.4
379.08051	1.8
385.07303	0.2
391.08121	10.8
392.08475	0.8
403.08130	2.7
409.09131	3.4
411.07095	0.5
421.09137	1.5
423.06998	0.7
439.10284	0.4
441.08096	1.6
442.08963	0.2
509.23529	0.4
529.11273	0.5
547.11926	0.2
555.09497	0.2
561.10260	2.4
562.10510	0.2
573.10150	0.4
579.10883	1.6
580.11536	0.4
591.11322	2.5
592.11865	0.3
593.09320	5.6
594.09503	0.6
657.35608	0.2
731.12152	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	869.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23389	1.0
65.03934	3.0
66.06835	1.2
67.05500	1.9
69.07185	9.6
77.03941	2.5
78.04706	1.6
78.88879	1.0
79.05479	4.2
81.03411	1.7
87.49771	1.2
89.03924	7.8
91.05483	26.0
93.07040	11.2
94.04179	1.2
95.04965	17.8
101.68041	1.2
103.05463	13.3
105.03352	1.8
105.04525	3.1
105.07020	4.0
106.04208	2.7
107.04947	6.4
109.06535	1.2
111.04442	1.2
115.05453	3.1
117.03383	22.2
117.07014	2.3
119.04943	18.2
120.05718	2.7
120.30908	1.1
121.06506	72.8
122.03669	6.2
122.06835	2.4
123.04424	14.0
125.05976	1.6
130.04111	1.6
131.04875	2.3
133.02849	16.9
133.06465	4.0
134.03642	1.5
135.04387	7.5
136.05209	1.5
136.07573	5.5
137.05977	53.7
137.07033	2.6
139.07501	3.6
140.04659	4.4
143.04861	2.1
145.02837	45.8
145.06451	6.7
146.03333	1.5
147.04424	13.7
148.05231	1.7
149.05963	14.2
150.03120	3.8
151.03902	1.8
151.07545	7.7
153.05432	3.5
155.07045	6.8
157.04012	2.4
158.03636	2.5
159.04465	1.3
160.05225	6.2
161.02559	1.1
161.05980	12.1
162.03107	3.7
163.03902	4.8
163.07533	3.7
164.04729	1.7
164.07056	3.8
165.05478	25.5
167.07011	10.2
168.07471	1.5
173.05957	11.1
173.09914	1.1
174.06613	1.2
175.03894	20.4
175.07501	5.9
176.04662	4.2
176.08276	3.3
177.05467	100.0
178.05963	4.3
178.07709	1.4
179.07036	8.6
181.04956	4.3
183.06522	19.3
186.03119	2.7
187.07507	2.1
189.05556	1.2
191.03416	10.3
191.07001	8.5
192.04137	2.4
192.06377	2.7
193.03198	2.8
193.04962	52.5
193.08664	2.5
194.05444	1.5
195.06496	1.6
196.03680	3.4
201.05466	34.7
202.05835	1.4
203.06996	2.4
207.06520	13.3
208.07074	1.3
209.08070	5.0
219.06511	30.9
219.08487	2.3
222.06648	1.5
225.07501	4.1
231.06572	2.4
233.05933	1.4
233.08040	2.6
235.07565	1.5
235.09792	2.2
237.09190	2.2
238.20447	1.2
240.07628	1.8
241.08510	1.9
249.09111	2.5
250.06319	1.4
255.10213	1.7
263.07034	2.9
264.07999	1.8
265.08502	2.9
267.10254	2.0
269.08167	1.8
269.11819	2.2
277.08432	2.2
281.07980	2.0
281.11301	1.4
283.06000	2.4
283.09583	2.3
291.06442	1.7
293.08215	2.0
295.09634	2.0
296.10190	1.4
297.07861	1.2
297.11118	2.7
298.08249	4.8
298.11649	1.5
299.12747	3.2
301.10718	1.7
307.09525	2.0
311.08981	1.8
311.12570	1.4
312.12381	9.3
313.10785	2.8
314.13818	9.1
321.07498	1.7
321.11093	1.5
323.09161	5.9
324.09473	1.4
325.10696	4.1
326.11322	4.5
327.12131	4.0
331.11758	2.8
335.09149	2.0
337.10645	5.2
338.07770	1.7
338.14026	1.9
339.12195	3.9
341.10080	2.6
351.08487	2.5
351.12268	2.8
353.10196	12.6
355.11700	4.8
356.12326	14.0
356.15244	10.2
357.13251	11.1
358.14041	9.3
359.11246	25.1
365.10242	4.4
366.10883	1.2
367.11591	1.7
369.13345	1.6
383.11246	7.3
384.11975	17.0
395.11374	3.4
397.12796	2.2
401.12372	8.6
411.10617	1.7
413.12576	2.1
476.20468	1.6
488.16559	1.3
490.18686	2.6
501.15140	3.9
520.20020	2.0
522.20837	1.9
529.15039	5.9
531.16241	3.6
538.20703	2.6
541.14728	1.5
549.17743	6.3
577.17029	52.6
578.16968	3.9
666.23004	2.1
670.25983	2.1
688.27362	4.9
689.70251	1.4
714.25604	19.7
715.25116	2.2
851.33545	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	870.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02375	0.1
65.03931	0.8
67.01493	0.1
67.01866	2.3
69.03429	0.2
70.86265	0.2
71.05015	0.5
81.03422	2.8
85.02920	0.5
89.03907	0.9
89.04415	0.1
91.05484	6.0
92.05827	0.2
95.04997	0.1
97.02892	0.3
99.04460	1.2
109.02883	4.9
110.03239	0.1
112.03047	0.1
117.02705	0.1
117.03379	3.5
119.04947	17.0
120.05280	0.5
123.04416	0.1
127.03921	8.5
128.04250	0.1
133.06418	0.1
134.03633	0.2
135.04430	0.3
137.05890	0.1
139.03969	0.1
145.02856	9.8
146.03220	0.3
147.04411	100.0
148.04749	3.0
149.05992	1.4
163.03864	0.1
165.05415	0.1
167.07076	0.2
169.04913	0.1
173.06006	0.1
177.05473	16.5
178.05824	0.4
179.03412	0.1
181.04938	0.2
185.05946	0.1
186.05542	0.1
187.07454	0.1
209.75748	0.1
213.05508	0.1
219.06522	0.1
227.06897	0.1
229.08638	0.5
235.07401	0.1
245.08170	0.1
255.06535	1.1
273.07581	18.8
274.07910	1.0
276.07776	0.1
300.24304	0.1
303.08838	0.1
323.08844	0.1
325.10583	0.1
337.10629	0.1
338.11108	0.1
355.11719	0.3
356.12143	0.3
363.10760	1.8
381.11780	1.0
399.14432	0.3
400.14734	0.4
455.13394	7.4
456.13565	0.6
494.75317	0.1
810.68097	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	870.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
66.53062	0.3
67.01874	0.8
69.85499	0.5
69.85889	0.7
81.03417	1.4
83.95948	0.3
89.03912	1.2
91.05489	9.1
98.23357	0.4
99.04464	0.7
103.05515	0.4
107.04992	0.3
109.02883	3.0
117.03389	5.0
117.31405	0.3
117.39167	0.3
118.94087	0.3
119.04952	20.5
120.05229	0.5
121.06533	0.4
122.81057	0.3
127.03954	3.5
135.04483	0.3
137.05925	0.5
145.02863	10.4
145.38071	0.4
146.03218	0.7
147.04420	100.0
148.04715	2.9
149.06027	1.9
165.05472	0.9
167.07066	0.8
169.04958	1.9
177.05482	17.2
178.05849	0.5
181.04962	0.9
186.05544	0.3
246.24284	0.7
255.06549	0.7
273.07574	6.7
273.10443	0.6
290.05734	0.3
315.08609	1.8
417.03751	0.4
417.15366	0.4
455.13367	7.9
456.13571	0.7
497.14252	0.7
730.13947	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	870.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	19.2
67.05509	67.7
69.03425	15.9
69.07065	11.7
71.01342	3.6
71.04998	10.0
71.27643	2.8
71.29147	3.6
73.02908	8.1
75.49311	2.7
79.05070	4.1
79.05491	51.4
81.03419	100.0
81.07059	60.5
82.04205	3.4
82.77718	2.6
83.04987	33.7
83.08610	34.2
85.02908	42.0
85.06532	4.7
91.03962	7.5
91.05479	64.6
93.07038	42.9
95.04960	53.4
95.08606	26.9
97.02877	19.6
97.06528	11.9
97.10167	15.8
98.07338	3.8
103.05513	4.6
105.07034	40.8
107.04946	15.7
107.08601	25.4
109.02863	3.0
109.06515	10.4
109.07661	5.8
109.10152	21.2
111.04457	8.1
111.08075	18.4
113.05978	3.6
115.05458	6.1
116.04685	7.8
117.07033	9.8
119.08594	30.8
120.08914	3.3
121.06487	7.9
121.10152	16.1
123.08076	6.4
124.04938	2.8
125.09620	19.6
127.03923	6.1
129.05487	24.8
129.06984	17.9
131.08572	22.8
133.06519	4.2
133.10130	23.5
135.05562	2.7
135.08041	6.8
135.11690	11.9
137.09598	3.4
139.07507	3.3
142.07841	3.2
143.07069	4.3
145.10124	10.1
147.04385	6.3
147.08017	7.5
147.11682	24.9
149.09592	8.5
153.01797	7.2
153.12773	3.7
157.08650	8.9
157.10127	21.0
161.09511	3.4
163.05991	4.4
163.11198	14.2
165.12749	5.1
171.06602	3.8
171.10234	3.3
173.11742	5.7
175.11200	18.2
181.12224	4.4
189.11256	7.9
191.10669	4.6
193.12239	82.0
199.13254	18.8
205.21674	2.8
209.11711	9.6
211.13293	95.5
212.13672	3.5
219.13745	2.6
227.12791	22.8
229.14314	5.4
247.13454	4.0
255.15858	5.2
265.14169	3.3
267.15973	35.6
268.16388	3.9
283.15393	22.9
285.16965	57.8
301.16510	53.3
339.17911	3.7
409.26077	3.6
421.25684	3.6
427.26874	6.8
439.26990	18.7
461.28619	4.5
475.26694	8.0
477.28250	3.8
493.27850	35.7
494.28403	5.1
504.87079	3.2
511.28961	59.3
512.29034	7.7
637.31616	6.0
810.38544	3.2
870.32983	5.2
870.47266	6.0
871.35486	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	27.1
69.03430	1.9
69.07069	9.7
71.04984	3.4
71.29877	1.0
79.05492	19.7
80.29103	1.5
81.03422	38.4
81.07060	34.1
83.04984	4.0
83.08628	13.4
85.02914	2.8
85.06541	2.1
89.34935	1.2
91.03962	1.9
91.05482	15.5
93.07043	22.5
95.04971	15.0
95.08586	6.7
97.02898	4.1
97.06539	4.8
97.10175	2.5
99.08102	1.5
105.07027	8.4
107.04953	3.4
107.08588	14.3
109.06491	2.5
109.10180	1.9
110.47449	1.3
111.08068	5.8
117.07021	3.7
119.08595	6.3
121.06517	3.3
121.10160	8.9
123.08112	1.6
123.11712	1.3
129.06998	4.6
131.08582	9.5
133.06522	1.8
133.10121	6.2
135.11699	4.4
136.19518	1.2
145.09970	1.2
147.08131	1.5
147.11726	4.9
149.09622	3.2
149.13281	11.0
155.29697	1.3
157.10144	6.3
159.11713	5.5
175.11215	6.4
177.12775	2.7
193.12265	10.3
195.13844	4.4
267.15918	44.2
268.16196	1.8
269.17471	45.1
270.17834	1.3
311.00543	1.2
374.78705	1.3
417.26349	1.5
435.27258	4.7
443.27774	3.0
461.28946	100.0
462.29227	8.4
479.29984	2.4
503.29868	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	870.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.6
62.87615	1.1
65.03952	4.3
67.05143	3.3
67.05508	68.8
69.03416	6.8
69.04355	9.1
69.07071	22.5
71.04990	6.9
79.05495	62.4
80.05831	1.8
81.03424	13.0
81.07059	100.0
83.04982	17.6
83.08616	15.9
85.02911	4.2
85.06553	6.3
89.20692	1.1
90.24506	1.2
91.05482	62.2
92.05790	1.2
93.07048	46.0
95.04971	22.8
95.08608	25.1
96.05287	1.3
97.02925	2.8
97.06541	15.5
97.10167	16.2
99.04477	3.6
99.08099	2.2
103.05444	2.5
105.04472	1.4
105.07031	49.4
106.07372	1.4
107.04965	19.3
107.08598	37.1
109.02886	1.7
109.06526	19.8
109.10155	38.4
110.10518	1.3
111.04453	6.0
111.08083	8.1
113.05986	2.1
115.05472	2.9
115.07519	1.6
117.07021	15.5
119.08585	29.7
120.08909	1.4
121.05742	1.7
121.06537	14.1
121.10152	17.0
123.04461	3.0
123.08081	17.2
123.11689	7.5
125.09634	14.4
127.07580	3.2
128.06218	3.4
129.07016	8.2
131.08574	21.5
133.06491	7.7
133.10133	52.3
134.10513	2.5
134.86797	1.2
135.08054	15.1
135.11658	9.8
137.09633	7.8
139.07600	1.5
139.11205	1.8
141.06976	2.1
143.08557	9.9
145.06526	3.3
145.10127	17.3
147.08051	9.8
147.11703	10.3
149.09613	11.9
149.13283	2.9
151.07521	1.9
151.11189	21.6
153.09109	1.2
153.12737	3.2
155.08612	3.1
157.10086	8.2
159.08078	3.2
159.11673	7.4
161.09662	11.6
161.13277	2.8
163.07513	1.5
163.11180	13.5
165.09125	5.1
165.12808	2.4
167.08626	1.5
169.10159	3.9
169.12251	4.5
170.42854	1.1
171.11647	6.2
173.09650	5.4
173.13231	1.6
175.11137	6.3
177.09103	3.1
177.12796	2.8
179.10680	3.1
181.10139	1.5
181.12251	4.0
183.11787	1.4
185.09694	1.9
185.13271	2.2
187.11232	2.8
189.09605	1.7
189.11217	8.9
189.12727	2.2
191.10748	3.5
193.12282	4.7
195.11731	2.4
195.13892	1.2
199.11215	2.3
203.14427	2.5
205.12245	1.8
209.11583	2.3
215.12737	2.4
217.12265	1.5
218.79604	1.3
223.13289	3.6
227.12778	15.0
227.17979	2.4
237.16380	2.7
245.19026	4.8
249.14801	1.9
251.12798	2.0
253.14342	46.8
254.14575	1.8
255.17410	3.8
257.18973	2.0
261.18573	2.4
263.20047	3.8
267.15805	1.8
269.17410	2.3
271.17294	2.7
273.18491	41.0
275.20078	15.7
283.15384	2.1
289.18021	10.6
291.19556	56.1
292.19800	3.6
293.21194	3.9
307.18985	6.1
309.20618	5.6
325.19858	1.4
329.21274	1.9
347.22128	16.9
349.23709	7.0
363.21478	5.9
365.23239	36.9
366.18723	1.1
366.23578	3.2
367.24823	4.2
381.22879	7.6
383.24411	8.6
423.23743	2.0
489.06149	1.4
543.32928	7.0
557.34631	1.8
561.34131	10.8
563.36542	2.2
575.35565	2.4
579.35492	1.5
589.30469	1.3
619.40094	1.3
637.40997	10.8
638.41888	1.5
655.42041	17.5
656.42639	2.1
673.43195	15.1
674.43237	1.9
738.86511	1.3
755.41913	1.3
870.44720	4.8
871.44598	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	870.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.8
65.03944	2.7
67.05505	43.6
69.03424	9.9
69.07069	29.0
70.55147	0.7
71.04977	3.9
73.02902	1.3
76.14787	0.7
77.03951	1.4
79.05495	48.0
80.05820	1.0
81.03419	10.2
81.07058	63.3
82.07388	0.9
83.04984	12.6
83.08614	17.9
85.02922	3.2
85.06543	2.1
87.04484	0.9
91.05479	37.3
92.05804	0.9
93.07043	34.9
94.04184	1.0
94.07375	1.0
95.01293	1.2
95.04970	18.5
95.08609	19.9
97.02900	7.7
97.06532	8.0
97.10168	20.9
99.04474	1.6
99.08112	1.2
103.05467	2.0
105.04517	1.9
105.07030	29.0
107.04953	14.1
107.07857	1.4
107.08591	25.3
108.08926	0.8
109.02870	1.3
109.06519	12.8
109.10159	14.9
111.04436	7.0
111.08076	5.8
113.06017	0.8
115.05467	1.8
117.07011	13.9
119.04929	1.9
119.08578	26.2
121.06503	10.5
121.10136	12.8
123.04420	1.9
123.08073	14.7
123.11720	2.3
125.05933	1.1
125.09639	16.6
128.06218	2.6
129.07004	5.7
130.07806	0.9
131.04977	0.7
131.08563	17.2
133.06496	5.1
133.10129	14.1
135.08049	10.1
135.11716	8.9
136.08835	0.7
137.06021	0.9
137.09579	5.3
139.07587	1.1
139.11166	1.3
141.07025	1.6
142.07822	1.4
143.08562	7.3
144.09430	0.8
145.06502	3.2
145.10121	14.0
147.08057	10.8
147.11691	8.3
149.09624	9.9
149.13300	3.1
151.11205	3.5
153.09114	3.5
153.12769	2.6
155.08583	2.6
157.06500	1.1
157.10124	6.4
159.08076	3.5
159.11734	6.6
161.09642	7.7
161.13216	1.4
163.07533	1.9
163.11179	13.1
165.09113	2.9
165.12762	1.8
167.08554	0.8
169.10181	1.6
171.08022	1.0
171.10268	1.3
171.11685	4.2
173.09641	3.1
173.11818	1.0
173.13251	2.1
175.11180	5.1
177.12769	3.3
179.10678	1.4
181.10110	1.1
181.12221	1.6
183.11642	1.4
185.13232	1.1
187.11151	1.9
187.14963	0.8
189.11241	11.5
189.12790	2.0
191.10713	2.8
193.12323	2.5
195.11732	1.0
195.13828	1.2
197.13394	1.0
199.11200	1.3
201.12738	1.0
203.14372	1.6
205.12302	2.6
211.13240	1.9
213.16525	1.2
219.13876	1.2
221.11725	1.0
223.13290	16.1
227.12759	15.5
227.14786	1.1
227.17975	2.2
228.13150	0.9
229.14407	1.1
229.19768	0.8
233.15388	1.2
237.16541	1.0
245.13777	1.7
245.18988	4.1
247.20499	1.2
249.14830	4.2
253.14349	2.6
255.17456	3.0
257.18930	2.0
261.18552	1.5
263.20157	1.3
267.16006	2.6
269.17578	1.3
271.16907	2.3
273.18494	36.5
274.18747	1.9
275.20068	9.6
283.15454	3.2
289.17996	14.1
291.19540	100.0
292.16980	0.8
292.19803	5.1
293.21188	1.6
307.19153	3.9
309.20667	2.2
329.21045	1.8
345.20706	1.0
347.22174	10.3
349.23666	5.4
363.21664	7.8
365.23218	54.8
366.23355	4.1
367.24640	2.1
381.22778	5.0
383.24142	4.6
438.84256	1.0
503.33975	1.1
508.65195	0.8
535.32471	2.8
545.34497	1.1
557.34534	2.8
575.35522	3.4
581.38220	1.2
637.40863	11.3
655.42004	27.5
656.42206	5.4
673.32373	0.9
673.43005	10.0
674.42847	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	870.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.2
62.00646	1.1
65.03938	4.8
67.05509	50.3
69.03420	5.9
69.07069	22.5
71.04996	14.7
73.99923	1.2
79.05494	49.5
81.03416	8.6
81.07060	83.1
82.07396	1.9
83.04987	12.2
83.08621	31.2
85.02908	3.6
85.06544	3.4
91.05482	46.9
92.05807	1.5
93.07052	46.0
95.04360	2.3
95.04971	44.4
95.08611	36.5
96.08842	1.2
97.02888	2.0
97.06534	12.5
97.10162	7.4
98.23361	2.9
99.04460	3.1
99.08099	3.5
103.05478	1.4
105.07033	44.2
107.04961	17.7
107.08600	32.6
109.06532	24.6
109.10162	18.3
111.04447	12.3
111.08076	5.7
113.09650	2.8
115.05446	2.0
117.07010	14.3
119.08586	35.0
120.08865	2.1
121.06526	10.3
121.10146	24.2
121.11016	1.7
123.08070	11.0
123.11736	5.9
125.09651	8.7
128.06303	1.1
129.05489	2.4
129.06989	5.8
130.07745	2.1
131.08574	21.6
133.06482	2.2
133.10127	24.8
134.10413	1.6
135.08076	8.1
135.11676	12.0
137.09628	5.9
139.07631	1.7
139.11160	3.5
141.06958	3.0
141.09200	1.4
143.08556	4.2
145.06499	1.5
145.10126	27.0
146.10429	1.8
147.08055	3.5
147.11702	18.7
149.09618	26.1
149.13239	9.9
151.11172	5.3
153.09146	1.9
153.12791	1.6
155.08557	3.9
157.10153	6.5
159.11687	15.3
161.09628	3.2
161.13263	4.5
163.11188	26.2
163.14890	2.2
163.19829	1.2
165.12817	5.4
169.10136	4.5
171.11714	4.0
173.09685	2.8
173.11876	1.5
173.13254	5.6
175.11194	4.3
177.12791	4.6
179.14314	2.0
181.12244	2.3
183.11754	3.7
185.13229	1.2
187.11179	1.9
187.14891	1.7
189.09711	1.3
189.11191	6.7
191.10680	2.0
191.14290	2.3
193.12285	3.2
197.13297	3.3
201.12715	1.6
205.12277	4.4
213.16286	1.2
215.14258	1.3
223.13275	22.0
227.12794	2.5
228.24046	1.3
229.19521	5.1
233.15445	2.0
239.17928	5.2
247.20610	6.6
255.15907	2.5
257.18997	11.9
258.19427	1.5
267.15872	1.9
269.17441	9.6
273.18607	2.6
275.20074	100.0
276.20444	7.1
293.21097	26.5
294.21399	2.1
307.22659	9.1
331.22687	2.8
349.23734	74.8
350.24039	4.1
367.24796	38.9
368.25168	2.2
381.26419	28.4
382.26843	2.2
529.35187	3.9
531.37115	1.4
543.36920	10.3
561.37659	5.2
575.39600	11.6
623.32538	1.5
623.43054	32.2
624.42877	3.3
641.44055	39.4
642.44177	6.6
655.45911	10.1
656.45819	2.4
656.98035	1.4
659.45593	5.9
673.46790	26.3
674.46600	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	870.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.4
67.05508	39.2
67.93401	0.8
69.03435	2.8
69.07072	20.9
71.04996	14.7
79.05494	39.1
80.05814	1.2
81.03405	4.7
81.07060	100.0
82.07387	1.9
83.04968	4.9
83.08627	14.8
85.02898	1.3
85.06544	3.1
91.05481	32.7
93.07044	31.9
95.04970	11.3
95.08606	28.8
97.02879	1.5
97.06542	9.3
97.10220	2.0
99.08089	5.0
103.05417	1.2
105.04541	1.5
105.07029	35.3
107.04973	11.9
107.08601	21.9
109.06522	31.3
109.10172	9.6
111.04462	4.6
111.08089	5.0
113.09674	1.9
114.60216	0.9
115.05509	1.1
117.07018	11.2
119.07777	2.0
119.08585	26.8
121.06528	6.0
121.10143	16.6
123.08080	8.8
123.11726	7.9
125.09606	3.1
129.06993	3.3
131.08565	12.3
133.10144	20.1
135.08052	6.7
135.11696	7.5
137.09624	3.5
141.07048	1.8
143.08591	2.8
145.10126	13.3
147.08093	1.9
147.10597	1.8
147.11690	19.5
149.09593	9.2
149.13258	7.2
151.11179	2.8
155.08575	1.4
157.10155	4.6
159.11694	9.1
161.09657	2.3
161.13368	1.9
163.11195	7.6
163.14873	3.2
165.12750	5.8
167.39772	1.0
169.10181	1.9
171.11665	2.4
173.13242	5.3
174.13667	1.1
175.11208	2.9
177.12756	4.1
179.14275	1.1
183.11679	2.5
185.13232	1.4
187.11172	1.4
187.14786	1.8
191.10701	1.3
193.12259	1.5
195.13881	1.1
197.13295	1.5
201.12675	1.3
229.19652	3.8
239.17955	2.8
247.18373	1.1
247.20567	5.5
257.19101	4.8
265.21606	1.1
267.16071	2.2
269.17523	1.0
275.20062	60.7
276.20413	3.0
292.51831	1.0
293.21115	7.1
307.22687	4.1
349.23746	40.8
350.24045	3.7
367.24811	35.2
368.25049	2.6
381.26370	21.0
382.26505	1.3
494.15228	1.2
623.33972	1.6
623.43109	25.2
624.43268	3.5
641.44092	21.4
642.44104	3.2
655.45471	5.7
659.44781	3.8
673.35699	1.5
673.46655	20.2
674.46704	2.7
830.32074	1.1
891.50836	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	870.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.6
65.03943	4.1
66.92137	1.0
67.05507	52.0
67.84470	1.1
69.03425	2.9
69.07073	24.4
71.05003	10.3
73.06534	1.1
74.34257	1.3
77.03918	1.4
79.05493	49.0
81.03426	6.6
81.07060	100.0
82.07399	1.6
83.04980	8.6
83.08617	29.0
85.06529	3.6
91.05486	46.4
93.07045	39.9
95.04972	14.7
95.08604	33.4
96.08903	1.4
97.06544	10.2
97.10178	3.2
98.22582	3.6
99.08088	3.2
105.07035	43.5
107.04959	15.3
107.08598	25.0
109.06519	23.4
109.10156	14.3
111.04472	2.7
111.08086	7.5
117.07018	11.2
119.08588	30.4
120.08933	1.2
121.06493	8.7
121.10150	18.6
123.04439	1.2
123.08087	9.3
123.11671	6.3
125.09624	2.5
128.06265	1.5
129.06982	4.2
129.92204	1.1
130.07771	2.0
131.04933	1.2
131.08568	20.5
133.06534	2.0
133.10133	24.1
135.08061	6.2
135.11705	9.6
137.09634	4.6
139.11197	1.4
141.06952	2.3
142.07816	1.2
143.08533	3.5
145.10121	21.5
147.08080	3.6
147.11693	22.2
149.09637	16.5
149.13217	5.6
151.11185	3.9
155.08609	3.7
157.10146	3.3
159.08076	2.0
159.11691	13.5
161.09665	2.5
161.13272	4.1
163.11189	16.3
163.14862	2.1
165.12775	7.3
169.10167	3.1
171.11690	4.4
173.09607	2.5
173.13269	5.9
175.11209	3.9
175.14879	1.6
177.12788	3.2
183.11713	3.0
187.11119	2.1
187.14850	1.4
189.12704	1.7
193.12225	2.7
197.13249	2.7
201.12744	1.9
207.13785	1.4
215.14232	1.3
229.15349	1.3
229.19600	3.6
239.17923	6.0
247.20609	4.3
257.19009	9.8
267.16000	3.2
275.20071	89.3
275.46112	1.2
276.20456	5.6
293.21112	12.6
307.22693	4.1
349.23737	72.9
350.24026	5.3
367.24820	46.5
367.28836	0.8
367.29602	1.5
368.25232	2.8
381.26376	28.9
382.26923	2.8
513.35669	1.7
567.39844	1.3
623.42987	37.3
624.42914	5.0
641.44037	31.4
642.44476	5.5
655.45496	8.7
656.46008	1.4
659.45221	6.4
673.46722	30.7
674.46765	4.6
851.15302	1.4
898.45905	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	870.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.2
65.03946	4.2
67.05508	54.4
68.05818	1.2
69.03434	3.9
69.07069	26.1
70.53347	2.7
71.04986	7.5
77.03923	1.5
79.05498	53.1
81.03001	1.2
81.03419	6.2
81.07059	100.0
82.07405	1.6
83.04990	10.1
83.08627	33.0
85.02920	1.4
85.06543	3.1
91.05483	43.3
92.05813	1.9
93.07048	44.0
94.07401	1.5
95.04975	33.7
95.08611	35.2
97.02922	1.0
97.06538	11.9
97.10184	5.4
99.08098	3.2
103.05444	1.3
105.04519	1.3
105.07035	43.0
107.04952	19.2
107.07884	1.6
107.08600	29.6
107.09291	2.2
108.09011	1.4
108.13469	1.0
109.06528	24.2
109.10165	13.7
111.04424	1.9
111.08103	5.8
113.06090	1.3
115.05409	1.6
117.07014	14.9
119.08589	34.2
120.08919	1.4
121.06503	9.1
121.10145	22.6
122.77587	1.1
123.08076	9.7
123.11730	7.0
125.09653	3.7
129.07025	4.5
130.07822	2.0
131.08577	22.8
132.67973	1.3
133.06532	1.8
133.10138	26.5
135.08047	6.7
135.11714	10.1
137.09624	6.2
138.31181	1.2
141.06981	1.8
142.07745	1.3
143.08604	3.3
145.06514	2.2
145.10138	23.4
147.08093	3.0
147.11696	24.7
149.09634	20.0
149.13263	7.8
151.11197	3.7
153.09128	1.4
155.08623	3.4
157.10149	4.9
159.08069	1.4
159.11708	12.0
161.09694	3.3
161.13274	5.9
163.11188	20.8
163.14790	2.3
165.12766	7.1
169.10155	3.5
171.11717	4.0
173.09648	3.2
173.11952	1.5
173.13179	6.0
175.11205	5.5
175.14738	1.3
177.12668	5.2
179.14388	1.6
183.11737	4.2
184.07425	1.3
185.13234	1.8
187.11266	2.4
187.14891	2.1
189.11240	1.2
191.10832	1.5
191.14345	3.0
193.12254	2.4
195.13898	1.7
197.13318	3.1
199.14809	1.3
201.12770	3.2
205.12218	3.5
207.13843	1.3
215.17924	1.9
219.13666	1.1
223.13307	2.1
227.12817	2.1
229.19540	4.3
233.15356	1.2
239.17999	4.4
243.35692	1.4
247.20598	4.7
257.18994	7.8
269.17514	2.4
275.20071	76.9
276.20389	4.9
293.21100	14.2
305.54962	1.2
307.22818	2.7
331.22729	3.4
349.23755	80.1
350.24017	6.9
367.24838	34.1
381.26373	18.8
543.36432	2.9
549.38794	1.6
567.40179	1.1
575.39178	3.9
623.43127	37.6
623.53528	1.9
624.43542	6.2
641.34009	2.0
641.44183	33.8
642.44086	4.0
655.45483	8.8
656.46228	1.2
659.44849	3.3
673.46802	34.5
674.46936	4.8
757.57440	1.2
856.37494	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	870.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	4.4
67.05509	69.1
69.03452	5.1
69.07076	31.6
71.04998	7.3
79.05496	65.4
81.03430	12.3
81.07059	68.0
83.04989	15.9
83.08624	55.6
83.09117	2.7
85.02906	6.0
85.06544	3.9
91.05482	67.8
93.07048	61.3
94.07409	3.5
95.01331	3.6
95.04977	85.2
95.08607	35.9
97.02909	2.1
97.06517	15.3
97.10174	14.4
99.04467	4.8
103.05486	2.8
105.07037	54.4
106.07367	1.9
107.04968	31.0
107.08600	44.7
109.06519	15.5
109.10165	21.0
111.04443	11.0
111.08080	11.0
115.05454	1.9
117.07030	22.0
119.08598	41.3
119.09445	2.6
121.06514	17.1
121.10149	21.0
123.04446	2.1
123.08083	9.8
123.11660	4.4
125.09624	10.8
129.07018	7.3
130.07823	2.9
131.08572	28.5
133.06479	2.5
133.10144	28.4
135.08066	8.6
135.11694	14.8
137.09622	5.3
139.11240	3.7
141.06990	3.4
143.08539	7.9
145.06525	3.8
145.10121	38.1
147.08057	6.6
147.11678	21.1
149.09633	37.9
149.13261	5.1
151.11174	7.5
153.12778	3.9
155.08591	4.0
157.10141	7.6
159.11700	20.1
161.09596	3.3
161.13290	6.4
163.11189	45.1
165.12791	7.6
169.10164	5.6
169.96239	2.2
171.10193	2.3
171.11685	6.2
173.09653	5.2
173.11819	2.0
173.13283	6.8
175.11232	4.2
177.12764	4.8
179.10780	2.4
183.11707	4.2
185.13248	4.1
187.11104	4.1
187.14835	4.6
189.11247	13.2
189.12744	3.1
191.10687	3.2
193.12312	2.8
197.13335	3.4
201.10905	2.1
201.12625	4.1
205.12251	8.3
223.13304	38.0
227.12810	8.8
229.03821	2.5
229.19418	5.2
239.17899	6.2
247.20576	2.6
257.18961	9.6
275.20068	100.0
276.20474	5.7
291.19550	4.2
293.18069	2.6
293.21173	32.3
307.22540	2.9
331.22495	4.6
349.23706	80.5
350.24167	7.0
367.24771	44.3
381.26425	11.8
623.43036	27.3
624.43005	4.1
641.44128	50.8
642.44202	6.3
655.45221	6.8
659.45227	4.7
673.46814	19.2
674.46747	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	872.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.6
65.69009	0.9
67.04134	1.0
67.05506	19.6
69.03430	3.7
69.07073	4.4
71.04980	2.0
71.18466	1.2
73.02922	1.7
79.05490	17.7
81.03421	78.3
81.07053	20.7
82.03775	1.0
82.07378	1.1
83.04983	7.5
83.08620	18.8
85.02905	12.9
85.06552	2.0
91.03961	2.2
91.05482	24.1
91.06017	2.0
93.07027	11.5
95.04974	27.0
95.08594	8.2
97.02890	4.7
97.06545	3.4
97.10187	5.6
105.07038	15.6
107.04971	7.6
107.08611	7.0
109.06509	5.6
109.07626	1.4
109.10168	3.6
111.04446	1.8
111.08089	6.3
115.05459	2.5
117.07036	2.6
119.04958	1.5
119.08585	15.1
120.08127	1.3
121.06516	4.2
121.10146	9.2
123.08091	3.7
123.11662	1.0
124.16741	1.0
125.09641	4.5
127.03942	1.7
129.07008	11.6
131.08585	10.4
133.06509	5.2
133.10149	9.8
135.04439	1.2
135.08047	1.7
137.06055	1.1
137.09622	1.7
142.07796	3.2
143.08582	1.9
145.06516	4.1
145.10086	2.2
147.08041	4.4
147.11684	9.5
149.09631	6.5
153.01837	1.3
157.06514	1.7
157.10147	14.3
163.06010	1.0
163.11201	1.7
165.12759	2.2
171.11623	1.0
175.11229	10.5
177.05463	2.1
189.11159	1.1
193.12245	28.6
194.12617	1.7
211.13266	12.9
219.13887	1.3
249.14854	2.1
255.13817	1.6
267.15906	100.0
268.16260	5.2
273.14923	4.6
285.16953	12.8
339.23016	1.4
349.21497	2.3
367.22681	10.0
385.23831	8.1
403.24802	2.5
433.25858	16.0
434.25992	1.9
441.26602	5.3
459.27399	68.8
460.27597	6.6
477.28479	35.6
477.34650	1.1
478.28799	3.4
495.29364	1.8
501.28189	1.6
519.29053	2.0
585.30646	1.5
589.65637	1.1
603.31842	1.9
621.32269	1.4
858.03625	1.2
868.11603	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	872.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02319	1.1
63.74106	1.1
64.31047	1.0
65.03939	3.4
65.89885	1.0
67.05506	41.5
69.03431	3.2
69.07072	23.9
71.04409	1.6
71.04980	3.7
77.03915	1.3
78.82964	1.1
79.05493	45.4
81.03419	9.2
81.07057	100.0
82.07350	1.2
83.04986	11.0
83.08624	20.4
85.02898	4.2
85.06538	3.7
91.05479	35.4
93.07052	31.0
95.04979	16.0
95.08607	22.3
97.02876	1.8
97.06535	11.7
97.10165	17.8
99.04474	2.4
99.08088	3.8
103.05479	1.8
105.04523	1.0
105.07030	33.3
107.04959	13.8
107.08598	21.8
109.06524	23.6
109.10152	12.2
111.04424	8.8
111.08072	7.1
113.06052	1.5
115.05466	2.6
117.06998	12.1
119.08582	30.9
119.09456	1.5
121.06514	8.8
121.10135	16.5
123.04393	1.8
123.07202	1.0
123.08083	18.4
123.11707	5.7
125.09627	15.2
128.06216	1.2
129.06989	6.4
131.08569	16.2
133.06509	2.2
133.10139	17.1
135.08051	8.4
135.11694	10.9
137.09625	6.7
139.11189	2.4
143.08562	6.6
145.06519	2.5
145.10126	16.4
147.08055	11.0
147.11685	17.5
149.09621	12.2
149.13280	6.6
151.11201	2.5
153.09122	3.2
153.12721	3.9
155.08588	2.6
157.10158	7.2
159.11703	8.3
161.09650	8.1
161.13248	3.4
163.11194	17.4
163.14803	2.0
165.09116	3.4
165.12753	4.5
169.10117	2.6
171.10278	1.1
171.11682	5.0
173.09621	3.0
173.13257	3.0
175.11174	4.7
175.14868	1.4
177.12730	3.2
181.12177	5.3
183.11681	2.1
185.13235	2.4
187.11238	2.1
189.11195	12.5
189.12708	1.7
191.10680	4.4
193.12253	5.4
197.13147	1.0
199.14836	1.8
201.12843	1.6
209.11702	1.6
213.12875	1.7
223.13303	5.1
227.12738	11.9
227.14545	1.2
227.17882	2.1
229.19435	2.4
239.17949	2.3
245.19014	4.7
247.20546	3.3
255.17599	5.4
257.19037	4.0
267.15854	2.4
273.18500	36.2
273.21478	2.1
274.18884	2.1
274.25412	1.1
275.20053	53.5
276.20444	3.7
283.15341	2.4
291.19556	59.3
292.19882	2.9
293.21066	11.9
309.20602	8.2
347.22159	17.9
348.22656	1.5
349.23752	35.1
350.23923	1.8
357.05060	1.0
365.23239	45.3
366.23550	2.8
367.24811	43.6
368.25089	3.5
383.24310	21.2
384.24725	1.6
420.41959	1.3
519.33447	2.6
525.35779	1.4
529.35626	1.4
557.34717	1.3
565.38763	2.4
583.39447	2.4
621.41406	8.0
639.42468	36.4
640.42767	5.4
657.43616	43.2
658.43854	5.8
675.44598	28.5
676.44806	2.5
763.61035	1.3
903.79114	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	872.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87897	1.6
65.03935	2.2
67.05507	59.3
69.03439	6.5
69.07070	31.8
70.54386	4.6
71.04992	6.4
79.05490	68.0
80.05775	2.3
81.03426	13.5
81.07057	100.0
83.04986	24.6
83.08624	46.9
85.02908	8.1
85.06551	4.4
91.05481	47.4
93.07046	56.2
95.01260	1.8
95.04969	72.8
95.08610	39.2
97.06539	13.0
97.10175	34.4
99.04458	6.6
99.08106	3.0
103.05456	3.2
105.04549	2.0
105.07022	46.5
105.07665	3.0
107.04958	29.9
107.08594	44.7
109.06530	16.3
109.10158	18.5
111.04448	19.5
111.08068	11.9
115.05534	2.7
117.07014	20.6
119.08583	46.7
121.06502	12.4
121.10143	22.2
123.08083	27.1
123.11711	4.5
125.05970	3.0
125.09631	26.1
127.53817	1.9
128.06261	2.3
129.07005	10.7
130.07808	2.0
131.08568	30.8
133.06512	4.4
133.10147	25.5
135.08055	15.7
135.11705	21.3
137.09619	9.4
139.11215	4.5
141.07042	2.2
142.07816	3.5
143.08575	10.6
145.06493	4.6
145.10124	36.4
147.08066	13.9
147.11681	16.2
149.09616	30.7
149.13289	5.4
151.11197	3.8
151.97795	2.3
153.09106	5.6
153.12755	6.1
155.08553	5.2
157.10168	8.7
159.08116	4.0
159.11710	14.8
161.09601	10.0
161.13310	4.7
162.46523	1.9
163.11183	46.6
165.09119	4.8
165.12801	4.5
169.10159	5.7
171.10204	5.0
171.11699	9.0
173.09679	4.7
173.13297	4.0
175.11191	8.8
177.12752	6.9
181.12202	10.1
183.11742	3.7
185.09637	2.2
185.13249	3.4
187.11255	3.2
189.11234	28.1
189.12775	2.8
191.10753	7.9
193.12315	6.1
197.13293	2.7
199.14883	2.3
201.12804	2.0
205.12221	4.6
209.11682	2.5
223.11111	2.9
223.13293	41.7
225.37138	2.2
227.12819	23.0
227.17891	3.6
229.19614	2.4
239.17908	5.2
245.19046	5.7
247.20810	2.2
249.15038	2.3
255.17444	5.5
257.19067	6.0
273.18524	40.2
274.18964	2.1
275.20087	61.3
276.20422	3.7
283.15448	5.6
291.19543	72.8
291.22739	4.3
292.20090	4.6
293.21127	37.9
296.93350	1.9
309.20615	7.7
347.22092	21.0
349.23721	32.6
365.23224	53.7
366.23428	3.0
367.24802	57.0
368.25146	6.2
383.24258	23.9
565.38116	2.4
621.41235	8.8
639.32599	3.1
639.42603	34.6
640.42426	5.1
656.33655	2.0
657.43585	46.6
658.43500	6.1
675.44659	21.2
676.44751	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	873.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.3
65.03933	0.4
67.05505	4.9
69.03423	2.5
69.07073	3.2
69.64850	1.3
71.05003	1.9
73.02918	2.1
79.05490	5.4
80.05826	0.6
81.03421	2.2
81.07056	8.7
82.07397	0.9
83.04996	1.1
83.08606	2.7
85.02898	3.2
85.06543	0.5
87.11931	0.3
91.03954	1.6
91.05484	4.9
92.05819	0.5
93.07047	4.2
95.04961	2.5
95.08612	3.5
96.08942	0.6
97.10184	1.4
98.23341	0.4
99.04484	0.7
101.02406	1.1
105.07026	3.4
107.04980	1.3
107.08587	2.7
108.08937	0.4
109.02895	0.6
109.06556	1.4
109.10171	1.3
111.04510	0.4
111.08093	0.5
115.04018	0.4
117.07037	1.2
119.08582	3.1
121.06560	0.9
121.10175	1.4
123.08105	0.7
125.09637	1.3
127.03928	0.7
129.07022	0.5
131.08609	1.5
133.10115	1.9
134.10526	0.3
135.08083	0.9
135.11732	0.8
136.12125	0.3
137.09688	0.4
143.08566	0.4
145.10150	1.6
146.20998	0.3
147.08098	0.4
147.11731	1.5
149.09657	1.1
157.10201	0.4
159.11713	0.7
161.09633	0.6
163.11214	1.1
165.12810	0.5
171.11725	0.6
177.12811	0.6
184.07391	1.0
185.04240	0.5
203.05334	0.5
209.11739	0.6
223.13423	1.3
243.08351	2.9
269.17413	0.4
273.18634	0.5
275.20093	2.4
276.20547	1.2
291.19592	1.6
293.21249	0.5
301.08853	0.5
331.18954	1.4
335.25943	0.7
336.26343	0.5
347.21985	2.4
349.23898	1.2
350.24286	1.0
351.24667	0.4
370.25330	0.3
382.26520	0.4
387.21371	0.6
417.12955	0.4
423.20074	0.5
481.20322	2.1
544.36792	0.5
549.26740	7.9
550.26965	0.7
565.29773	4.7
566.30414	0.6
605.02008	0.4
626.44165	0.5
640.42694	0.4
658.40656	0.5
676.39764	0.5
677.40735	0.7
789.40106	1.1
790.39563	0.4
873.49615	100.0
874.49994	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	2.3
62.43791	0.8
64.07751	1.0
65.03951	3.2
67.05509	46.8
67.57530	1.3
68.05833	1.2
69.03443	4.2
69.07071	21.3
69.43332	3.8
69.43764	1.8
71.04982	2.6
79.05495	41.3
80.05851	1.4
81.03418	7.9
81.07059	100.0
82.07403	2.7
83.04993	6.1
83.08627	14.3
85.02905	1.6
85.06558	4.0
89.01637	1.0
91.05486	38.6
93.07047	38.5
95.04978	15.3
95.08607	26.2
95.09158	2.1
97.02906	1.3
97.06516	7.2
97.10174	4.1
99.08093	3.5
101.06036	1.2
103.05482	2.0
105.07031	34.5
107.04955	9.8
107.08599	21.9
107.09292	1.7
109.06525	22.6
109.10155	10.7
111.08083	5.2
117.01110	1.6
117.07011	9.3
117.98339	1.0
119.08581	23.3
120.08973	1.0
121.06525	6.0
121.10149	15.6
123.08074	8.9
123.11710	6.8
125.09632	2.1
129.07011	4.0
131.08572	15.4
133.06512	1.2
133.10130	24.4
135.08084	5.7
135.11665	7.4
137.09645	4.2
141.06992	1.6
143.08559	3.0
145.10138	13.1
147.08018	2.8
147.11696	16.9
149.09634	8.8
149.13303	5.7
151.11189	4.7
155.08560	2.5
157.10182	4.2
159.11684	8.7
161.13272	3.0
163.11188	8.3
163.14859	3.0
165.12816	3.7
169.10374	1.2
171.11772	2.8
173.09749	1.3
173.13274	4.7
175.11223	2.5
177.12817	2.5
179.14354	1.6
183.11627	1.4
184.07344	2.5
185.13260	1.2
187.14853	1.9
189.12646	1.3
191.14246	1.6
193.12283	2.0
197.13336	1.2
199.14964	1.0
229.19568	1.8
239.17941	1.5
247.20557	3.7
257.19006	4.7
267.15799	1.6
275.20059	59.4
276.20459	2.3
293.21051	13.1
311.17841	7.6
335.25827	1.6
347.22427	1.2
349.23749	35.6
350.24005	1.2
364.96494	1.4
367.24786	47.8
368.25189	2.9
385.21402	68.0
386.21741	4.2
623.43030	6.8
624.42957	1.1
641.43903	4.0
659.40649	38.9
660.40942	5.4
677.41748	44.0
678.42078	4.6
874.49719	14.5
875.50397	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.8
66.02255	1.4
67.05508	48.8
69.03412	2.7
69.07072	26.0
71.04987	2.8
79.05493	39.0
81.03408	4.6
81.07059	100.0
82.07384	2.2
83.04999	7.0
83.08608	14.7
85.02896	1.9
85.06536	2.6
86.09700	4.3
91.05483	29.1
93.06475	2.2
93.07048	40.4
95.04973	9.8
95.08606	26.9
96.08958	1.2
97.06524	10.3
97.10154	5.0
99.08094	2.7
105.07034	35.6
107.04948	8.5
107.08595	26.9
109.06525	21.6
109.10152	15.2
111.08091	6.9
117.07024	11.2
119.08585	22.6
121.06495	5.5
121.10157	17.2
123.08088	7.7
123.11716	7.1
124.99960	2.2
125.09618	4.2
129.07001	3.6
131.08588	14.9
133.06522	1.5
133.10138	20.9
135.08054	6.3
135.11679	8.8
137.09624	3.5
141.06895	1.2
143.08511	2.6
145.10132	13.2
147.11703	18.6
149.09662	8.4
149.13255	11.2
151.11183	3.5
155.08540	2.3
157.10161	2.8
159.11682	11.4
161.09734	1.3
161.13283	2.5
163.11137	7.5
165.12766	3.8
169.10175	2.9
171.11617	3.1
173.09579	2.0
173.13278	3.3
175.11174	2.7
175.14775	1.2
177.12694	3.7
179.14255	1.9
183.11612	1.6
183.54597	1.3
184.07346	12.2
185.13297	2.3
187.11111	1.4
187.14856	1.8
189.11244	1.4
191.14365	1.3
193.12166	1.5
195.13867	2.4
213.82436	1.2
222.08316	1.1
227.12726	2.8
229.14313	4.6
229.19356	2.7
233.15327	2.3
239.18077	1.3
247.20567	3.6
257.19073	5.8
269.17484	20.5
275.20068	56.6
276.20395	3.7
291.19525	1.7
293.17896	1.8
293.20993	9.1
349.19443	2.7
349.23743	47.2
350.24014	3.9
367.24783	32.9
368.25046	2.8
503.33749	10.9
521.34991	6.7
543.36810	48.6
544.36963	4.2
561.37915	26.5
562.38330	3.0
623.43085	16.2
624.42938	2.6
641.44147	20.5
642.44226	3.2
659.45532	11.6
874.50867	1.5
875.47180	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	875.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45129	0.4
81.03441	0.3
88.15681	0.2
91.05513	0.6
109.02903	0.4
117.03435	0.5
119.04967	1.4
127.03932	0.4
145.02875	1.4
147.04420	4.1
147.05479	0.3
148.04787	0.6
149.06023	0.2
165.12744	0.2
177.05470	1.1
187.03764	0.2
234.42326	0.2
259.05942	0.4
273.70099	0.2
286.13052	0.2
309.14157	0.2
313.06815	6.3
314.07175	0.2
319.08118	0.3
331.07944	0.3
349.09100	0.3
403.10110	0.4
421.10953	1.6
477.11569	6.2
477.18185	0.4
478.11926	0.4
495.12643	4.4
520.34454	0.2
546.72955	0.2
875.23627	100.0
876.23914	11.2
876.41620	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	875.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75957	2.8
68.69866	2.9
79.05506	3.8
81.03404	3.7
81.61391	3.1
85.02923	3.2
89.03896	3.7
90.64330	3.1
91.05495	27.6
93.07045	13.2
94.04200	4.1
95.04951	6.6
103.05463	12.9
107.04958	5.7
117.03332	3.7
119.04942	12.8
120.05736	22.6
121.06520	77.0
122.03697	3.9
128.29109	3.3
131.04893	5.9
133.02853	32.3
136.07593	43.4
137.05975	42.8
137.08008	2.8
137.70935	3.4
138.06265	3.5
145.02811	3.4
145.06390	4.0
147.26999	3.0
148.39362	2.9
149.05940	7.5
151.07558	14.9
161.05989	3.8
164.07068	16.1
165.05441	6.3
167.07030	30.4
169.78943	3.4
173.05957	6.3
177.05479	10.7
178.07669	4.1
187.07532	5.3
189.07062	3.7
191.07039	11.0
191.08594	4.5
192.07799	4.1
201.05444	11.2
204.05626	3.4
213.05515	21.5
219.08055	5.6
221.05936	3.9
221.09549	3.5
223.07622	4.6
231.06450	28.9
234.06662	7.4
235.07524	5.5
247.07503	9.0
248.08409	6.1
249.05350	5.4
249.09164	6.6
251.07050	4.1
252.07867	4.0
259.07468	5.5
260.04608	4.7
261.09177	4.4
262.06247	10.9
263.07001	15.5
264.07809	9.4
265.08652	6.2
274.06149	4.5
275.06876	9.9
276.08002	5.7
277.05289	3.1
277.08710	16.9
279.06250	4.5
279.10071	6.0
280.07407	4.2
280.10654	3.9
289.05109	4.7
289.08453	5.7
290.05771	7.0
291.06357	7.4
291.10013	9.1
292.07269	9.7
292.10522	4.6
293.08096	9.1
295.09576	11.1
300.12238	8.9
303.06522	11.1
304.06876	5.7
304.09970	7.2
305.08151	20.1
305.11319	4.6
306.08295	9.8
307.09564	22.0
308.10477	4.1
309.07724	3.6
310.12134	3.6
312.12332	6.5
314.13870	6.4
319.09778	4.1
320.06555	8.6
323.09210	6.8
323.12653	5.3
333.07550	20.6
334.07785	6.0
335.09180	29.2
336.09567	5.9
337.06979	4.1
337.10703	7.2
339.12326	6.1
341.13809	6.3
349.10770	4.9
350.10623	9.1
351.08527	11.7
351.12234	35.1
353.10101	5.7
364.89633	3.4
365.10162	43.0
367.11752	100.0
368.12030	9.1
369.13358	24.3
383.11411	4.3
405.13391	3.9
437.10773	4.0
470.11160	3.3
470.16183	31.9
471.15768	4.6
484.97849	3.2
488.20471	13.2
502.18597	86.5
503.18518	10.5
515.17059	7.8
516.14111	9.6
548.22913	5.1
559.15942	6.0
652.24426	4.0
678.23267	4.7
696.24567	26.2
712.26965	10.1
875.42505	43.0
876.42529	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	875.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.9
67.05512	3.9
67.25297	1.4
69.03440	4.8
69.07087	1.5
70.06590	3.6
71.01363	1.4
71.28293	2.1
73.02930	4.9
79.05507	5.7
81.03427	4.3
81.07070	2.7
83.05001	1.8
85.02932	7.9
87.04445	1.7
91.03969	2.9
91.05493	5.1
93.07042	2.4
95.04984	1.5
95.08624	1.6
97.02900	7.3
99.04472	1.5
101.02391	2.0
103.03965	1.6
104.80515	1.4
105.07042	3.6
105.54633	1.6
106.36108	1.6
107.08627	2.7
121.06540	2.9
121.10150	1.7
127.03977	2.1
128.12492	1.4
147.11728	1.8
153.01823	1.7
168.50887	1.5
193.12227	1.8
197.70432	1.6
201.03613	1.3
241.27325	1.5
251.12592	2.0
261.76349	1.6
277.13815	1.9
289.22342	1.7
301.09064	3.2
347.09543	10.1
363.09192	6.2
365.10602	1.5
383.16739	2.9
405.13751	5.9
463.14456	6.1
469.20734	4.2
477.15799	2.2
527.21216	2.3
547.23798	4.1
560.16577	1.9
562.93030	1.5
601.24780	2.3
605.23822	3.5
631.25787	13.0
647.24701	2.0
690.27295	3.4
703.27795	4.5
703.42059	1.4
731.31006	2.3
773.36139	4.9
774.36206	2.5
785.34167	1.9
829.38397	2.9
857.37421	2.4
875.38428	100.0
876.38635	18.2
908.64301	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	875.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.4
66.23508	0.4
67.05512	3.5
69.03444	3.0
69.07082	1.4
71.05016	1.2
73.02927	3.9
76.02510	0.4
79.05492	3.2
80.68797	0.5
81.03417	3.7
81.07056	4.9
83.05006	0.7
83.08643	1.5
85.02910	6.2
86.06086	1.1
87.04480	0.7
91.03976	3.5
91.05485	3.0
93.07050	3.7
95.04992	1.5
95.08637	1.7
97.02898	5.8
97.06550	0.7
97.10170	0.4
99.04501	1.5
101.02409	1.6
102.82957	0.5
103.03999	0.5
105.07046	3.0
107.04980	0.8
107.08643	1.8
109.02880	1.1
109.10169	0.8
111.08154	0.7
115.03948	0.6
119.08614	1.4
121.06564	1.6
121.10207	2.1
127.03951	1.8
129.06990	0.7
131.08641	1.7
133.10202	1.4
136.06200	0.7
139.28870	0.5
147.11714	1.3
149.09671	0.9
149.13301	1.1
157.10252	0.6
159.11781	0.8
175.11270	0.7
181.12343	0.5
193.12337	0.9
207.44656	0.5
217.80731	0.6
225.14877	0.6
235.13268	1.0
243.08368	2.2
267.16089	1.5
269.17590	0.7
283.15219	2.3
301.09119	0.5
339.17847	1.2
347.09558	3.4
347.13361	0.4
365.10556	1.0
405.13757	6.6
453.21002	7.5
460.10974	0.5
501.23059	8.7
501.29779	0.7
615.26154	6.4
663.28345	6.1
713.36951	3.0
714.46075	1.1
778.53900	0.5
875.42432	100.0
876.42432	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	875.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.5
62.93602	0.4
64.04632	0.4
64.54760	0.4
66.73589	0.4
67.05511	3.1
67.52296	0.4
69.03421	1.1
69.07073	1.3
71.04985	0.7
71.28046	0.4
71.41476	0.3
73.02920	1.5
79.05492	2.0
81.03432	1.1
81.07063	3.9
82.07373	0.5
83.04987	0.7
83.08622	0.9
85.02913	1.7
86.09706	0.4
91.03943	0.8
91.05496	2.6
93.07041	3.0
93.07570	0.5
95.04998	0.8
95.08610	1.7
97.02885	1.4
101.02389	0.5
105.07018	1.9
107.04926	0.6
107.08590	1.1
108.55143	0.4
109.02851	0.5
109.06532	0.7
109.10144	1.1
110.10544	0.4
111.08093	0.4
117.07034	1.0
119.08562	1.1
121.06521	0.5
121.10152	1.2
123.08012	0.5
125.00037	0.6
127.03951	0.6
129.07056	0.4
131.08548	0.9
133.10141	1.4
135.08054	0.5
135.11710	0.5
145.10187	1.0
147.11693	0.9
159.11673	0.8
161.13268	0.4
163.11119	0.5
184.07390	2.1
184.08894	0.4
194.38622	0.4
206.99542	0.4
243.08502	1.1
275.20035	0.9
301.09012	1.0
335.25668	0.4
349.23993	0.6
350.23883	0.5
385.18414	0.7
443.18744	0.5
469.20892	0.5
533.27789	0.9
539.21033	0.9
549.26636	1.0
551.28168	1.1
583.30597	0.7
621.28857	0.6
623.30890	0.6
679.32953	0.6
709.38220	0.5
747.39423	0.9
777.40137	0.8
789.40173	4.5
790.40485	0.8
857.46417	0.8
875.46075	100.0
876.46161	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	875.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.5
62.93602	0.4
64.04632	0.4
64.54760	0.4
66.73589	0.4
67.05511	3.1
67.52296	0.4
69.03421	1.1
69.07073	1.3
71.04985	0.7
71.28046	0.4
71.41476	0.3
73.02920	1.5
79.05492	2.0
81.03432	1.1
81.07063	3.9
82.07373	0.5
83.04987	0.7
83.08622	0.9
85.02913	1.7
86.09706	0.4
91.03943	0.8
91.05496	2.6
93.07041	3.0
93.07570	0.5
95.04998	0.8
95.08610	1.7
97.02885	1.4
101.02389	0.5
105.07018	1.9
107.04926	0.6
107.08590	1.1
108.55143	0.4
109.02851	0.5
109.06532	0.7
109.10144	1.1
110.10544	0.4
111.08093	0.4
117.07034	1.0
119.08562	1.1
121.06521	0.5
121.10152	1.2
123.08012	0.5
125.00037	0.6
127.03951	0.6
129.07056	0.4
131.08548	0.9
133.10141	1.4
135.08054	0.5
135.11710	0.5
145.10187	1.0
147.11693	0.9
159.11673	0.8
161.13268	0.4
163.11119	0.5
184.07390	2.1
184.08894	0.4
194.38622	0.4
206.99542	0.4
243.08502	1.1
275.20035	0.9
301.09012	1.0
335.25668	0.4
349.23993	0.6
350.23883	0.5
385.18414	0.7
443.18744	0.5
469.20892	0.5
533.27789	0.9
539.21033	0.9
549.26636	1.0
551.28168	1.1
583.30597	0.7
621.28857	0.6
623.30890	0.6
679.32953	0.6
709.38220	0.5
747.39423	0.9
777.40137	0.8
789.40173	4.5
790.40485	0.8
857.46417	0.8
875.46075	100.0
876.46161	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	875.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.3
62.08253	0.3
67.05514	2.1
68.05893	0.3
69.03429	0.7
69.07066	0.9
69.76358	0.3
71.28187	0.4
71.69936	0.3
73.02898	0.7
79.05495	2.3
81.03420	0.9
81.07058	2.7
83.05021	0.7
83.08613	0.9
85.02904	1.2
86.09739	0.3
91.03952	0.6
91.05476	1.6
93.07045	1.3
95.04948	0.9
95.08626	1.4
97.02899	1.0
99.04436	0.5
101.02379	0.3
105.07030	1.3
107.08592	1.2
109.06472	0.5
109.10191	0.4
117.07053	0.5
119.08598	0.8
121.10124	0.8
125.00002	0.4
125.09663	0.4
127.03896	0.5
131.08521	0.5
133.10138	0.6
135.08031	0.4
135.11729	0.6
145.10002	0.5
147.11711	0.5
159.11728	0.5
174.95804	0.3
175.10994	0.3
184.07338	1.7
187.17561	0.4
238.48047	0.3
243.08496	0.6
275.20032	0.6
276.20856	0.3
333.20279	0.6
439.19531	0.3
549.27191	0.6
551.28339	1.7
565.30664	0.7
567.25562	1.0
777.39856	0.6
788.42700	0.5
789.40082	0.7
857.45172	0.5
875.45660	100.0
876.45923	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.0
67.05507	4.7
67.53020	0.3
69.03437	2.7
69.07082	2.0
71.01367	0.4
71.04994	1.4
73.02922	3.6
79.05491	3.9
81.03442	1.5
81.07057	6.5
83.04993	1.5
83.08207	0.4
83.08632	2.2
85.02907	3.2
91.03973	1.5
91.05492	4.6
93.07038	4.2
95.04980	1.8
95.08630	1.8
97.02897	3.3
97.06565	0.6
98.23417	1.2
99.04497	0.9
101.02371	2.0
105.07040	2.6
107.04961	0.7
107.08619	3.1
109.02883	0.5
109.06544	1.1
109.10192	1.5
109.99332	0.4
111.04469	1.4
111.08133	0.4
114.93426	0.4
117.07063	1.2
119.08569	2.1
119.67482	0.4
121.06530	0.6
121.10172	1.5
123.08095	1.0
123.11721	0.5
127.03886	0.8
131.08607	1.9
133.10170	1.7
135.11740	1.4
137.09572	0.4
145.10173	1.4
147.11739	1.3
149.09689	1.5
152.05292	0.4
159.11777	0.6
163.11272	1.3
178.74239	0.4
185.04301	0.5
209.23726	0.4
219.60242	0.4
243.08406	4.3
275.20251	0.9
333.20642	1.4
335.18243	0.4
347.21988	3.1
389.23007	1.0
403.24957	0.5
416.56992	0.4
439.19821	0.4
440.93842	0.4
473.52448	0.4
481.20493	3.4
541.02338	0.4
551.28235	11.8
551.36737	0.6
552.29297	0.6
565.29742	5.9
566.30176	0.9
733.42242	0.5
740.71576	0.4
791.42230	1.2
875.51257	100.0
876.51508	17.4
909.91553	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	875.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.3
61.25435	1.2
67.05512	4.3
69.03437	4.3
69.07063	2.4
71.05030	1.4
71.31048	1.7
73.02928	2.7
79.05511	4.0
81.07072	6.2
83.08648	1.7
85.02928	1.4
86.09722	2.0
91.03945	2.3
91.05489	3.9
93.07071	2.6
95.04970	2.0
95.08630	3.2
97.02922	2.0
101.02422	1.8
105.07056	2.7
107.08598	1.6
119.08595	2.9
125.00008	1.3
131.08600	1.7
137.09732	1.4
163.11276	2.2
184.07404	4.0
206.43773	1.4
211.64452	1.4
243.08459	3.0
246.87263	1.4
278.72330	1.2
347.22021	1.9
516.37769	1.7
551.28491	7.7
565.29651	7.7
608.35895	1.5
875.51184	100.0
876.51086	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	875.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	2.8
63.93457	0.4
67.05511	2.8
69.03439	2.0
69.07084	1.5
69.34628	1.5
71.01373	0.5
71.05009	1.3
73.02929	1.9
78.17171	0.3
79.05489	2.4
81.03436	0.9
81.07059	5.8
82.71556	0.3
83.05002	0.4
83.08642	0.6
84.88480	0.3
85.02898	2.5
91.03983	1.3
91.05476	1.6
93.07062	2.1
95.05004	0.5
95.08628	1.7
97.02896	2.1
97.06590	0.6
99.04491	0.5
101.02396	1.6
105.07041	2.4
107.04993	0.3
107.08633	1.1
109.02905	0.5
109.06552	1.1
109.10195	0.7
110.27486	0.4
117.07053	0.6
119.08620	1.5
121.10155	0.8
122.79008	0.4
123.11738	0.5
127.03967	0.6
131.08598	0.9
133.10176	1.0
134.49695	0.3
147.11760	1.1
149.09604	0.5
159.11728	0.5
163.11275	0.4
203.05292	0.4
216.23911	0.3
231.90025	0.4
243.08487	2.7
333.20410	1.7
347.22025	2.3
368.49649	0.3
403.24475	0.5
423.20264	0.7
481.20471	2.6
551.28290	6.4
565.29822	5.1
573.01215	0.4
637.32098	0.5
791.42053	1.2
875.51276	100.0
876.51593	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	875.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.5
67.05509	3.9
68.05829	0.4
69.03447	2.6
69.07073	2.3
69.12280	2.0
71.01350	0.5
71.04998	1.1
73.02923	3.1
79.05495	4.5
81.03423	1.6
81.07062	4.4
83.04991	1.3
83.08627	3.2
85.02908	3.1
85.06571	0.5
91.03976	1.6
91.05490	2.8
93.07047	4.0
95.04979	3.2
95.08610	3.0
97.02898	3.5
97.06557	0.8
97.10165	0.9
99.04476	1.2
101.02386	1.5
105.07045	3.6
107.04961	1.0
107.08614	3.3
109.02872	0.5
109.06529	0.8
109.10181	1.5
111.04448	1.0
111.08138	0.7
115.03970	0.4
117.07021	1.0
119.08533	1.8
121.06525	0.9
121.10133	1.9
123.08083	0.8
125.09622	0.7
127.03929	0.8
131.08571	2.1
133.10127	1.8
135.08099	0.6
135.11659	1.0
136.26674	0.4
145.10085	1.9
147.11671	0.8
149.09644	1.4
149.13217	0.6
151.11272	0.4
159.11711	0.9
163.11192	2.1
165.12747	0.5
173.13228	0.6
176.81613	0.4
177.12689	0.4
184.07399	1.6
185.04193	0.7
192.28528	0.5
243.08444	3.6
275.20078	1.8
312.56732	0.4
333.20248	2.0
347.21887	1.2
351.25653	0.4
403.24585	0.9
551.28308	5.0
552.28174	0.5
565.30048	7.5
566.29669	0.5
567.24933	0.6
747.38904	1.2
857.43768	1.0
875.50323	100.0
876.50555	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	875.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.4
67.05512	3.0
67.05849	0.4
69.03426	1.9
69.07065	1.5
69.54895	0.6
69.55300	0.4
71.01343	0.3
71.05009	0.9
72.22744	0.2
73.02921	1.9
79.05497	3.1
81.03437	0.8
81.07059	5.2
81.07525	0.3
83.04984	0.3
83.08613	1.3
85.02923	2.2
91.03948	1.1
91.05487	2.3
93.07044	2.2
95.04973	1.1
95.08615	1.9
97.02905	2.4
97.06554	0.7
97.10140	0.2
98.22746	0.3
99.04482	0.4
101.02411	0.8
105.07032	1.7
107.04983	0.7
107.08607	1.3
109.02911	0.3
109.06523	0.7
109.10195	0.9
111.08089	0.5
115.03962	0.3
117.07046	0.6
119.08591	1.3
121.06557	0.5
121.10121	1.0
123.11742	0.5
127.03951	0.8
131.08597	1.1
133.10146	1.2
135.08115	0.4
135.11737	0.7
137.09679	0.2
145.10146	1.0
147.08139	0.3
147.11682	1.2
149.09683	0.8
149.13295	0.2
151.14857	0.2
157.10194	0.2
159.11752	0.6
161.13322	0.3
163.11238	0.6
165.12807	0.3
177.12790	0.4
203.05450	0.3
240.32762	0.2
241.07010	0.3
243.08394	1.9
257.51862	0.2
265.05557	0.2
269.17703	0.2
275.20239	0.8
315.10565	0.2
317.21121	0.2
318.71259	0.2
333.20386	1.5
347.21997	1.9
349.23615	0.3
373.23596	0.2
385.21869	0.4
386.21851	0.3
389.23294	0.4
403.24683	0.4
423.20175	0.7
437.90903	0.2
439.19717	0.5
481.20358	1.2
483.22443	0.3
535.29266	0.6
551.28204	4.8
552.28906	0.3
565.20947	0.4
565.29761	5.6
565.37885	0.4
566.30518	0.4
616.75854	0.2
637.31952	0.5
678.42328	0.4
679.41516	0.3
747.42584	0.3
749.40997	0.4
791.41913	0.6
875.51221	100.0
876.51544	13.7
892.10864	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	875.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.3
67.05515	5.2
69.03437	2.9
69.07080	4.1
69.46874	1.5
70.14634	0.3
71.01368	0.6
71.01912	0.3
71.05006	2.0
73.02920	3.0
79.05505	4.6
81.03427	2.0
81.07065	7.1
83.04990	0.7
83.08602	1.5
84.38609	0.3
85.02907	3.8
86.09720	2.0
87.04450	0.4
91.03948	1.9
91.05499	4.0
93.07046	4.1
94.07404	0.4
95.01324	0.5
95.04974	1.3
95.08617	2.7
97.02901	3.2
97.06521	1.7
97.10167	1.4
98.22662	0.4
99.04452	0.9
101.02410	1.5
105.07033	3.8
107.04960	1.2
107.08575	2.7
109.02915	0.6
109.06520	1.2
109.10167	1.3
111.08047	0.6
113.09687	0.5
117.07026	1.3
119.08584	3.0
120.08966	0.3
121.06541	1.0
121.10168	1.0
123.08066	0.6
123.11681	0.3
125.00020	1.2
125.09637	0.6
127.03935	0.9
129.05429	0.3
129.07036	0.5
131.08513	1.7
133.10132	2.2
135.08051	0.6
135.11684	0.8
136.06165	0.4
137.09651	0.4
143.08516	0.4
145.04950	0.4
145.10162	1.2
147.11714	1.0
149.09659	1.0
149.13269	0.8
151.11246	0.4
157.10155	0.4
159.11685	1.0
161.13287	0.6
162.07787	0.5
163.11208	0.6
166.72661	0.3
173.13284	0.5
179.14320	0.6
184.07379	3.9
185.04219	0.4
185.07837	0.3
203.05363	0.6
220.25381	0.3
227.12645	0.3
243.08411	2.7
267.15634	0.4
275.20114	1.4
276.20169	0.5
285.18115	0.5
293.21069	0.4
301.08957	0.4
315.10696	0.4
315.19385	2.2
335.21582	0.4
344.13809	0.3
349.23578	0.3
365.22958	2.0
371.22070	0.8
421.25595	0.6
485.23230	0.5
533.27283	8.5
534.27411	0.9
551.28314	0.7
583.31024	5.4
857.47778	0.4
875.50922	100.0
876.51013	15.0
886.21985	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	877.467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.4
65.03961	0.3
67.05515	2.1
69.03429	1.2
69.07093	0.7
69.73608	1.2
73.02926	1.0
76.93410	0.3
79.05500	2.2
81.03428	1.1
81.07065	2.0
83.04990	0.5
83.08620	0.8
85.02910	1.7
86.09709	1.9
91.03968	0.7
91.05502	1.5
93.07050	1.4
95.04960	0.5
95.08638	1.1
97.02894	1.2
97.10181	0.3
101.02404	0.4
105.07038	1.0
107.08637	0.4
109.10159	0.5
119.08594	0.7
121.06520	0.9
121.10155	0.5
125.00024	1.0
129.05501	0.4
131.08531	0.6
133.10149	0.7
135.11693	0.3
159.11694	0.4
159.63766	0.3
162.07811	0.9
175.07928	0.3
184.07356	6.4
184.08887	0.3
188.26440	0.3
243.08368	1.8
251.12750	0.4
301.08926	1.0
315.10764	0.4
333.20471	0.5
349.16711	0.7
349.20435	0.4
371.16739	0.5
373.11221	0.5
385.18570	0.7
465.21191	0.6
525.23114	0.9
535.29236	1.1
551.28235	1.1
567.26245	2.2
749.41199	0.4
779.40973	0.9
791.41705	3.2
792.41461	0.5
859.47076	1.9
877.47449	100.0
878.47754	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	877.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.5
67.05506	1.3
69.03437	0.5
69.07076	0.6
71.07381	0.7
73.02937	0.6
79.05488	0.7
81.07051	1.8
82.75125	0.3
83.05000	0.4
85.02914	0.9
86.09712	2.3
88.45544	0.3
91.05463	0.5
93.07072	0.8
95.04933	0.5
95.08621	0.6
97.02894	0.8
97.10181	0.4
98.22606	1.3
98.98469	0.7
105.07059	0.7
107.08601	0.6
111.49337	0.3
112.71987	0.3
119.08610	0.8
121.06527	0.6
125.00015	2.4
131.08640	0.3
135.11848	0.4
184.07339	9.0
185.07738	1.3
244.16710	0.3
265.15637	0.4
331.15869	0.7
349.16809	3.2
402.55124	0.4
469.20773	0.4
551.28302	1.3
567.26410	2.1
585.25323	0.4
671.50897	0.5
877.47223	100.0
878.47522	17.2
906.10559	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	877.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.3
67.05505	1.5
69.03441	0.6
69.07079	0.7
69.53574	1.3
73.02938	0.8
74.10907	0.4
77.51126	0.4
79.05518	1.2
81.03396	0.5
81.07061	1.3
85.02932	0.9
86.09715	1.1
91.03954	0.5
91.05498	1.1
93.07058	0.9
95.08627	0.5
96.07170	0.4
97.02908	1.0
98.22641	0.4
101.02368	0.4
105.07050	0.6
107.08624	1.0
117.07053	0.5
119.08591	0.4
125.00092	0.6
131.08626	0.4
133.10182	0.4
172.93140	0.4
174.11682	0.4
184.07324	2.4
204.72482	0.4
224.39258	0.4
243.08507	0.7
284.29437	0.4
333.20462	0.5
349.16821	1.0
439.19525	0.8
551.28552	0.8
567.25543	1.6
749.40930	2.8
779.40198	0.6
791.42212	1.9
792.43274	0.6
859.46857	0.6
876.51392	0.7
877.47278	100.0
878.47357	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07085	1.1
70.06546	0.8
76.55913	0.7
83.79337	0.7
86.09700	1.7
125.00044	1.3
127.11446	0.7
132.95071	0.7
135.58969	0.7
148.22189	0.9
184.07310	5.3
257.60043	0.8
349.16949	1.8
366.87503	0.8
403.45703	0.7
449.96045	0.7
548.44751	0.7
567.25226	4.1
690.71735	0.8
765.43732	0.9
829.17596	0.9
877.47046	100.0
878.47449	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	877.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.2
62.97935	0.9
64.19240	0.9
66.23357	0.8
67.05522	1.5
71.30967	1.1
73.20534	0.8
79.05478	2.2
81.07081	1.3
86.09715	3.4
91.05498	2.1
93.07072	0.9
93.32494	0.9
97.02886	2.0
103.57848	0.8
105.07076	1.4
107.08610	1.2
110.31770	1.1
125.00018	3.6
160.55994	0.9
184.07352	11.9
185.07724	1.0
349.16928	1.8
443.76639	1.3
535.29279	1.2
567.25427	2.4
595.78961	1.0
733.93921	1.1
749.39252	1.0
859.21503	1.1
877.47058	100.0
878.47382	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	877.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.4
67.05514	1.8
69.03426	0.3
69.07088	0.6
69.40682	1.5
70.36606	0.3
71.02776	0.3
73.02933	0.5
79.05518	0.8
80.05842	0.6
81.03375	0.3
81.07047	2.0
85.02924	0.8
91.03953	0.4
91.05482	0.7
93.07064	1.1
93.07655	0.3
95.08634	1.1
97.02924	0.6
105.07059	1.0
106.07449	0.3
107.08630	0.5
109.10159	0.5
119.08604	0.8
121.10191	0.3
124.99990	0.4
133.10205	0.3
135.11720	0.4
147.11842	0.4
149.01279	0.4
159.11742	0.4
166.67157	0.3
182.33749	0.3
184.07372	0.8
221.35118	0.4
243.08560	0.4
264.40009	0.3
303.35776	0.4
335.25903	0.7
349.17041	1.3
367.18094	0.4
517.38977	0.5
518.39325	1.1
537.46692	0.4
567.25287	2.3
585.25696	0.9
749.40509	0.7
877.47070	100.0
878.47333	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	877.492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.3
67.05505	2.8
69.03423	2.1
69.07071	2.3
69.53626	2.1
70.41866	0.4
71.01358	0.4
71.05000	0.6
73.02917	2.3
74.84911	0.4
76.42285	0.4
79.05489	2.7
81.03429	1.8
81.07056	6.1
83.04481	0.4
83.04986	0.9
83.08627	1.0
85.02905	3.1
86.09745	0.5
91.03966	1.5
91.05499	2.3
93.07050	2.9
95.05006	1.1
95.08638	1.3
97.02901	3.4
97.06580	0.6
97.10190	1.6
98.22624	0.4
99.04494	0.4
101.02410	1.3
102.43646	0.4
103.03999	0.4
105.07035	2.0
107.04955	0.8
107.08622	1.4
109.06553	0.4
109.10160	1.1
111.04462	0.7
115.03916	0.5
119.08615	1.9
121.06552	0.5
121.10194	0.6
123.08070	1.0
123.11710	0.4
125.09643	0.9
127.03932	0.9
129.05588	0.6
131.08586	0.8
133.10178	0.5
135.11780	0.4
137.09625	0.6
145.10201	0.6
147.11714	0.9
153.12808	0.7
159.11746	0.5
163.11211	0.6
184.07388	0.9
201.03812	0.5
243.08426	3.7
278.28430	0.4
301.08945	0.7
313.09125	0.8
315.10760	0.5
333.20309	3.4
349.20120	1.3
369.15588	0.6
371.16922	0.6
383.16776	0.6
389.23038	0.5
423.20142	0.7
451.19897	0.6
551.28271	6.2
567.27740	8.0
567.36176	0.7
568.28278	0.8
623.30298	0.8
667.24463	0.4
749.41412	0.6
877.49158	100.0
878.49353	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	877.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.2
67.05511	3.8
69.03426	3.1
69.07069	2.4
71.04990	0.4
73.02921	3.1
74.53696	0.3
79.05494	3.9
81.03419	2.2
81.07055	6.4
81.42484	0.3
83.04981	0.7
83.08643	1.2
85.02906	3.1
85.06614	0.3
86.09718	2.5
91.03949	2.0
91.05485	4.0
93.07047	2.7
95.04993	1.2
95.08605	2.6
97.02890	3.8
97.06539	0.7
97.10194	0.4
99.04478	0.7
101.02398	1.2
104.10739	0.3
105.07027	2.4
107.04969	1.0
107.08581	1.7
108.08179	0.4
108.08916	0.3
109.02858	0.6
109.06527	1.6
109.10194	0.9
111.08099	0.3
115.04038	0.3
117.07063	0.8
119.08578	1.6
121.06531	1.3
121.10193	1.2
123.08118	0.5
123.11752	0.7
124.99997	1.7
127.03957	0.8
129.05524	0.4
129.07005	0.4
131.08618	1.1
133.10158	1.6
135.08102	0.5
135.11726	1.0
136.06178	0.4
137.09688	0.4
145.10152	0.5
147.11754	0.9
149.09641	0.6
149.13338	0.3
151.11229	0.8
157.10085	0.5
159.11787	0.4
164.14336	0.3
165.12871	0.5
184.07324	6.7
185.04305	0.6
185.07715	0.6
203.05325	0.5
221.11523	0.5
243.08385	3.5
251.12599	0.6
275.20285	0.6
301.08932	0.7
307.15161	0.3
315.10696	0.6
333.20465	3.0
336.25494	0.5
349.20071	1.3
371.17172	0.5
385.18161	0.3
389.23050	0.5
394.27344	0.4
423.20132	0.7
425.21652	0.5
439.19455	3.5
440.19809	0.3
441.21100	0.3
469.20486	4.4
470.20590	0.4
481.20584	0.9
551.28284	5.6
552.28522	0.4
567.27692	3.4
623.30304	0.7
637.31567	0.4
651.34070	0.4
671.50482	0.4
749.40637	1.6
779.41864	2.7
815.48724	2.3
877.48840	100.0
878.49170	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	877.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.6
67.05507	3.1
67.81456	0.3
68.05896	0.2
69.03439	1.8
69.07066	2.2
69.84660	0.7
69.85020	0.5
71.04988	0.6
73.02934	2.0
79.05502	2.6
81.03425	1.8
81.07055	3.5
83.04990	1.2
83.08602	1.4
85.02916	2.9
86.09721	1.1
87.74082	0.3
91.03972	1.7
91.05461	2.2
93.07044	2.9
95.04969	2.0
95.08622	1.4
97.02884	2.3
97.06565	1.0
97.10222	1.1
99.04478	1.1
100.28885	0.3
101.02385	1.2
105.07033	1.7
107.04965	0.7
107.08595	2.1
109.02900	0.5
109.06499	0.5
109.10181	1.0
111.04458	1.4
111.08112	0.4
117.07057	1.0
119.08576	1.3
120.77620	0.3
121.06504	0.5
121.10137	1.4
123.08096	1.0
125.00034	0.9
125.09679	1.0
127.03948	0.6
129.07043	0.5
131.08577	1.1
133.10168	0.7
135.08078	0.3
135.11731	1.0
145.10135	1.3
147.08104	0.4
147.11703	0.5
149.09660	1.2
157.10094	0.4
159.11748	0.4
163.11270	1.0
178.79573	0.3
181.12320	0.6
184.07330	4.2
185.04227	0.6
203.05324	0.3
223.13501	0.3
241.06790	0.4
243.08374	3.3
265.94830	0.3
291.19214	0.3
301.09097	1.0
315.10538	0.5
319.15210	0.4
333.20523	1.4
349.19794	1.8
385.06232	0.3
385.18436	0.4
389.23294	0.6
399.48721	0.3
405.22443	0.4
439.20264	0.4
451.19452	0.6
520.54346	0.4
551.28198	8.3
552.28833	0.9
558.43774	0.3
567.27643	5.2
623.30927	0.8
692.26678	0.3
877.49139	100.0
878.49481	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	877.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02954	0.5
81.07072	0.8
109.06671	0.5
119.85279	0.4
121.06538	1.0
188.64255	0.4
235.95055	0.5
330.82761	0.5
357.27377	0.5
376.23563	0.5
599.28192	0.6
618.32281	0.5
764.07660	0.5
877.50757	100.0
878.50934	18.7
878.68225	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	877.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.4
67.05502	2.8
69.03442	1.7
69.06724	0.3
69.07061	1.8
71.04993	1.0
72.73472	0.3
73.02901	1.3
79.05511	2.4
81.03420	1.0
81.07057	2.2
83.04996	0.5
83.08620	0.5
85.02899	2.0
85.06498	0.3
86.09698	0.9
90.34306	0.3
91.03967	1.5
91.05489	1.8
93.07044	1.2
95.04989	0.8
95.08607	1.3
97.02894	1.8
97.06564	0.5
97.10172	0.4
99.04447	0.8
101.02357	0.7
105.07029	1.5
107.04935	0.3
107.08623	1.1
109.10149	0.4
111.08089	0.3
111.52657	0.3
117.07033	0.7
119.08601	1.2
121.10136	0.7
125.00014	0.7
127.03949	0.9
131.08606	0.6
133.10123	0.8
135.11731	0.5
136.06259	0.4
145.10126	0.3
147.11649	0.7
149.09523	0.4
159.11673	0.5
162.07735	0.8
184.07355	3.3
185.04234	0.6
201.03789	0.4
241.06877	0.5
243.08426	1.7
301.08914	1.1
304.35553	0.4
315.10468	0.4
331.15784	0.5
349.16861	2.2
365.22891	1.0
367.17664	0.5
373.11105	0.5
439.19510	0.5
535.28882	1.9
541.22699	0.7
551.27881	0.9
552.28870	0.4
567.25708	2.0
583.30884	4.4
583.39423	0.5
583.50079	0.4
585.25330	0.6
655.32446	0.5
739.41980	0.4
749.40137	1.4
791.41815	2.2
859.47437	0.5
877.48035	100.0
878.48071	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.8
65.03944	0.4
67.05505	4.2
67.53590	0.4
68.54271	0.4
69.03433	3.3
69.07072	2.0
70.21302	0.4
71.01336	0.4
71.04984	1.6
73.02927	3.0
79.05495	5.0
81.03419	0.8
81.07060	5.1
83.08620	1.1
85.02899	4.4
86.09682	2.0
91.03970	2.2
91.05473	4.3
93.07043	4.5
95.04967	0.9
95.08600	2.9
97.02909	3.8
97.10181	0.6
98.22643	1.1
99.04488	0.7
101.02383	1.5
105.07032	3.5
107.04916	0.5
107.08600	3.1
109.02896	0.8
109.06516	0.6
109.10165	1.1
117.07009	1.1
119.08578	2.1
121.06513	0.8
121.10146	1.5
123.07951	0.5
124.99995	1.7
127.03918	0.8
129.05432	0.6
129.07005	0.5
131.08557	1.3
133.10130	1.9
135.11705	0.9
136.06174	1.4
143.08530	0.5
145.04924	0.4
145.10147	0.8
147.11729	0.9
148.70584	0.4
149.09564	0.5
159.11699	0.6
161.13303	0.7
162.07748	2.5
178.67749	0.4
184.07338	6.5
185.04231	1.3
185.07741	0.7
190.76039	0.4
203.05179	0.4
243.08411	3.3
289.21182	0.4
301.09052	1.0
313.08923	0.5
315.10321	0.5
365.22910	3.3
371.16788	0.4
385.18201	0.6
397.18207	0.4
400.13947	0.4
509.18109	0.4
535.28748	6.5
536.28796	0.5
541.22217	0.6
551.27966	1.3
567.25806	0.5
583.30725	4.2
611.29755	0.5
655.32520	0.9
683.35583	0.5
715.44330	1.1
723.40161	0.4
791.41943	2.0
859.47839	0.7
877.52118	100.0
878.52234	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	878.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	7.0
66.04744	2.4
69.03452	1.1
77.03937	3.4
78.04716	2.9
79.05515	7.8
81.03412	6.4
81.07063	2.5
83.04984	1.6
85.02945	1.7
89.03928	4.1
91.05483	48.4
93.03426	2.4
93.07050	14.6
94.04202	8.6
95.04972	12.5
102.04666	1.4
102.73780	1.1
103.05463	29.6
105.03383	6.9
105.04502	2.1
105.07037	7.1
106.04200	1.6
107.04961	22.1
108.35229	1.2
109.06541	3.9
110.03676	3.7
111.04455	2.6
115.05467	10.3
116.06243	1.5
117.03370	4.2
117.07023	7.6
118.04169	3.9
118.06611	1.6
119.04947	20.6
119.08591	1.6
120.02055	1.2
121.06509	87.3
122.03643	12.9
123.04443	7.4
124.05207	2.7
125.06017	3.9
128.06241	2.3
129.07013	2.8
131.04938	18.6
131.08554	2.7
132.05737	1.4
133.02856	69.2
133.06473	5.8
135.04442	7.9
135.08138	1.3
136.07579	90.8
137.05978	100.0
138.06328	2.6
138.09198	1.5
141.07037	1.8
143.04933	3.4
144.05742	4.1
145.06480	13.6
146.03687	1.6
146.06024	5.1
147.04405	6.9
147.08061	3.9
148.05194	3.9
149.05980	18.0
150.03148	5.5
150.06772	3.4
151.03926	5.4
151.07541	22.3
152.04689	3.7
153.05486	7.7
155.06029	2.8
156.05785	1.6
157.06570	1.7
159.04358	2.0
159.08098	3.1
160.05212	6.3
161.05959	15.5
162.05571	1.6
162.06805	2.7
163.03912	8.4
163.07556	12.1
164.04800	2.4
164.07060	24.4
164.08331	1.8
165.05519	16.1
165.06915	2.4
167.07048	76.5
168.07384	1.9
173.06000	11.8
174.06836	3.1
175.03940	3.0
175.07565	11.2
176.04709	1.9
177.05553	7.0
177.09091	3.4
179.07025	3.4
179.08560	1.3
181.04967	31.5
181.06377	2.0
184.05194	1.3
185.06012	2.0
187.07567	6.0
188.08311	2.5
189.05452	7.1
189.09070	6.5
190.06265	3.3
191.03392	13.0
191.05254	2.1
191.07037	32.0
191.08754	2.2
192.06496	1.6
193.06583	2.3
193.08574	1.5
194.07376	1.5
195.08090	4.5
197.06003	2.4
199.07538	2.5
201.05399	1.7
201.09161	3.7
202.06172	1.6
202.09833	1.5
203.06992	14.2
203.08644	1.6
205.06546	3.1
205.08632	7.9
207.06438	1.7
208.09050	1.3
210.06827	1.5
211.07553	3.5
212.08366	3.6
215.06960	1.4
217.08614	8.6
219.08121	2.6
219.10182	4.0
221.06078	2.6
222.06830	2.6
223.07565	6.1
224.08273	1.9
225.05484	2.1
225.09042	3.2
226.06337	3.2
227.07112	2.0
227.10716	1.6
229.08586	1.7
233.06056	2.6
233.08159	4.1
234.06740	2.3
235.07501	3.8
235.09727	6.2
236.08411	3.1
237.09184	6.9
239.07150	2.7
240.07846	5.4
241.08553	5.9
242.09364	1.6
243.06477	1.9
245.08060	2.3
247.07445	2.0
248.08360	2.4
249.09175	2.7
250.06303	3.0
251.06982	3.5
251.10789	1.9
252.07751	1.8
253.08614	7.5
254.09483	1.8
255.06523	1.5
255.10118	8.9
256.10934	3.8
260.08206	1.7
261.09109	1.7
262.06256	1.3
263.07028	4.2
263.09271	3.5
264.07800	4.8
265.04715	1.3
265.08627	9.5
266.09195	2.0
267.06451	2.0
267.10181	2.5
268.07047	1.4
269.08118	1.5
269.11734	3.4
270.08813	2.2
272.12906	1.8
273.11423	1.6
275.06815	1.8
275.10516	1.2
276.07794	2.0
277.08633	5.5
278.09335	2.2
279.06976	2.9
279.10211	4.5
280.07452	2.1
281.08139	3.4
282.08795	2.7
283.09647	8.7
284.12952	3.2
285.11224	3.6
286.08374	2.2
287.12762	3.2
290.09402	2.7
291.10040	3.1
292.07501	1.7
292.10654	1.8
293.08130	3.3
293.11682	2.8
294.08817	1.8
295.09668	4.6
296.10202	2.4
297.11188	14.5
298.11792	1.7
299.09152	4.2
300.12399	9.3
301.10995	1.6
305.08127	2.8
307.09579	3.9
308.10345	2.0
309.07733	1.7
309.11325	3.0
310.10910	2.5
311.09146	8.6
311.12320	2.0
312.12317	4.6
313.10764	3.1
314.07724	2.0
314.11432	4.6
315.12158	5.8
319.09723	2.4
321.07739	1.5
321.11224	3.6
322.08453	1.9
322.12000	1.8
323.09140	7.2
324.06226	2.0
325.10773	3.3
328.11954	3.4
329.10245	11.2
337.10703	5.9
338.11456	1.7
339.08597	3.9
339.12387	5.0
341.09937	1.9
341.13876	2.5
343.11816	1.9
349.10602	1.6
351.12271	4.2
353.10071	2.0
353.13910	6.0
354.14578	7.5
365.13919	2.3
366.14731	8.4
367.11844	1.5
369.13507	8.6
381.13382	5.6
383.15039	3.6
385.13022	4.9
399.14481	2.4
417.15494	3.9
432.18182	1.5
460.17548	5.2
476.16898	2.8
477.15747	2.5
489.15463	1.9
505.18506	1.8
517.18524	2.2
527.16937	3.0
530.18903	1.3
533.17737	3.1
535.19537	5.9
539.16821	3.6
547.19501	4.0
549.21094	1.7
550.21924	1.8
565.20691	56.3
566.20764	7.0
569.17834	1.9
653.20331	1.5
681.23309	1.4
693.23193	6.4
694.23688	2.4
698.23846	6.3
705.22760	3.9
710.25671	1.4
713.25665	2.7
714.28143	2.0
723.24115	3.6
728.26819	8.1
729.27411	1.6
741.25360	9.9
742.24933	1.9
848.53729	1.5
878.33588	16.9
879.32410	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	878.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.5
67.05507	18.2
68.05836	0.6
69.03435	1.0
69.07050	0.3
71.04996	16.1
72.17666	0.2
81.07056	0.4
83.89443	0.2
85.06526	1.4
86.09716	0.5
93.07034	0.2
95.04971	43.9
96.05323	0.8
103.03899	0.3
113.06008	100.0
114.06347	1.6
121.06523	0.3
155.07025	1.4
173.08096	5.3
184.07367	0.9
201.75465	0.2
215.09183	0.7
225.11218	12.8
267.12167	0.5
285.13327	19.1
286.13669	0.7
318.37735	0.3
337.16397	2.6
345.15372	0.8
397.18509	2.3
457.20767	2.8
509.23584	0.9
569.26013	0.4
825.28687	0.3
870.20117	0.3
878.49402	3.9
879.48370	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	878.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.6
64.33009	0.4
65.03951	1.1
67.05508	19.6
68.05795	0.5
69.03419	1.8
69.07072	7.5
69.07429	0.8
71.04986	2.6
73.02920	0.6
79.05499	17.2
80.05800	0.7
81.03421	38.9
81.07059	35.8
82.07397	0.7
83.04989	4.6
83.08622	10.3
85.02903	1.2
85.06537	1.4
86.09711	0.6
91.05487	17.9
92.05815	0.5
93.07046	11.7
95.04970	14.0
95.08614	10.0
97.02913	1.3
97.06551	3.3
97.10168	1.4
98.22569	1.2
99.08100	1.8
103.05476	1.1
105.07035	22.3
106.07354	1.0
107.04969	5.6
107.08598	9.3
109.06525	6.9
109.10159	3.8
111.04467	1.3
111.08088	4.5
113.06007	0.5
115.05440	0.9
117.07023	3.1
119.04913	0.8
119.08585	14.4
121.06521	8.2
121.10146	8.2
123.08054	3.2
123.11701	4.8
125.09647	1.2
127.07548	0.6
128.06209	0.8
129.05519	2.4
129.07001	5.1
131.08588	7.5
132.42757	0.5
133.06509	1.7
133.10135	7.3
135.08063	1.4
135.11690	1.6
136.06226	1.0
137.09627	1.8
138.05452	0.5
142.07802	1.8
143.08630	0.7
145.10117	3.8
147.08063	2.0
147.11688	14.9
149.09636	4.6
149.13280	1.7
150.56068	0.6
151.11304	0.8
155.08478	0.6
157.10135	6.4
159.11650	2.5
161.09645	0.7
161.13271	0.9
163.11195	2.5
165.12769	4.9
169.08594	0.5
169.10158	0.8
171.11699	0.6
173.13271	1.7
175.11183	5.5
175.14832	0.5
177.12772	0.7
184.07368	1.3
186.22134	0.7
189.11206	0.5
193.12247	10.3
205.12320	0.8
205.41560	0.5
207.13864	0.7
208.29491	0.6
211.13237	0.5
218.15384	1.0
225.14803	1.0
233.69080	0.5
247.20679	0.8
249.14923	0.9
257.19052	1.5
264.17499	0.5
267.15921	100.0
268.16272	5.5
275.20056	12.9
276.20505	1.1
285.16962	1.5
293.21017	1.5
349.23700	1.5
365.19662	1.4
367.24899	4.0
395.24072	0.6
439.23300	38.9
440.23416	2.8
449.30026	0.6
471.60959	0.5
541.35120	4.6
542.35834	0.6
559.36316	8.6
560.36627	0.7
622.85706	0.6
631.34778	31.8
632.35199	4.1
672.44446	0.9
673.35815	0.7
680.44666	0.6
698.46417	2.2
716.45306	1.7
834.49652	0.7
860.50208	1.7
878.42523	0.5
878.53027	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	878.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.5
67.05507	29.7
68.97521	3.2
68.97921	12.1
69.07066	9.2
71.08643	15.7
73.39383	1.9
79.05503	32.5
81.03417	4.2
81.06645	2.9
81.07066	28.1
83.04990	6.1
83.08610	8.8
85.02900	5.7
85.10188	7.4
91.03962	2.5
91.05486	29.6
93.07051	33.3
95.04964	9.7
95.08601	19.8
97.02890	3.1
97.06553	2.4
97.10161	5.2
100.18858	1.7
105.07050	16.3
107.04957	2.8
107.08598	10.5
109.06544	2.0
109.10169	6.1
117.07014	3.5
119.08588	10.7
121.06529	3.1
123.08099	2.4
123.11746	2.4
129.07005	7.6
133.10129	6.3
135.11687	2.0
143.08571	3.9
145.10158	6.6
147.11679	18.4
161.09621	1.8
161.13286	5.8
171.11697	12.1
184.07376	3.9
189.12732	4.5
207.13850	14.7
239.23508	2.2
257.25082	1.8
260.82770	1.6
281.17490	47.0
305.26154	1.9
313.27371	41.7
313.30948	2.3
388.46481	1.7
519.40491	100.0
520.40790	10.1
679.42114	2.0
879.44830	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	879.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.2
61.96338	0.6
67.05504	5.1
69.03441	3.4
69.07063	2.8
71.04978	0.9
71.08633	1.7
71.36111	0.8
73.02924	2.3
78.64872	0.7
79.05489	4.8
81.03419	4.3
81.07072	9.0
83.08621	5.0
83.09044	0.8
85.02910	4.3
85.10194	0.9
91.03971	2.4
91.05472	4.5
93.07049	4.2
95.04990	2.2
95.08602	5.5
97.02876	4.3
97.06547	1.1
98.22599	2.2
101.02390	1.3
105.07042	3.0
107.04970	2.2
107.08609	2.0
109.02872	1.1
109.06522	1.0
109.10126	1.6
111.08066	1.1
117.07004	1.0
119.08593	2.7
121.06506	1.6
121.10170	2.1
123.08121	0.9
127.03914	0.9
131.08574	2.0
133.10117	1.6
135.11707	1.5
145.10155	2.7
147.08167	0.8
147.11729	2.1
149.09685	1.3
159.11786	1.2
163.11186	3.9
179.11453	0.7
184.07364	2.0
203.05403	0.7
212.99396	0.7
215.92517	0.7
227.12794	1.9
243.08417	3.8
267.15961	2.6
283.15549	2.2
293.21219	0.8
313.27362	8.2
315.19342	1.4
333.20474	3.1
389.22720	1.3
425.21777	0.9
467.80887	0.9
474.41974	0.8
504.92551	0.8
505.38885	1.8
521.38403	6.3
533.27130	8.8
551.28406	7.2
552.28467	1.5
569.24786	2.1
843.48627	34.6
844.48859	5.6
878.54083	0.9
879.46100	100.0
880.46399	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	879.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.3
64.29099	0.6
67.05503	3.7
69.03441	4.8
69.07074	1.8
71.05012	0.8
71.28014	0.6
73.02924	4.8
79.05495	3.4
81.03445	1.9
81.07062	3.6
83.05011	0.9
83.08627	0.7
85.02916	5.6
86.09710	0.8
91.03973	2.8
91.05484	2.9
93.07034	3.8
95.05010	1.1
95.08626	2.8
97.02905	5.3
99.04465	1.0
99.08153	0.7
100.61777	0.6
101.02408	1.7
105.07056	1.7
107.08652	1.9
109.02979	0.9
109.10172	1.3
115.03108	0.5
115.03972	0.8
119.08579	1.3
121.06512	1.3
121.10178	1.7
127.03920	2.1
131.08606	1.1
133.10152	1.2
135.11722	1.4
145.10193	0.9
159.11699	0.6
163.11185	0.7
163.71983	0.6
167.77266	0.7
184.07544	0.6
185.04263	1.4
203.05327	0.8
221.11646	0.7
243.08456	2.5
255.05664	0.6
335.25775	0.7
347.09695	1.6
365.10211	0.8
405.13647	4.3
439.19278	2.4
519.29510	3.4
520.30011	0.7
535.28784	1.8
549.26831	0.9
585.24622	1.1
601.24493	2.3
681.34552	6.9
717.41583	1.5
843.49030	0.9
878.49286	0.7
879.46790	100.0
880.47107	14.0
893.22156	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	879.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.1
67.05502	5.4
69.03430	2.3
69.03770	0.4
69.07072	3.2
69.51724	0.6
69.52133	1.4
71.04987	0.6
71.61449	0.4
73.02914	2.7
79.05495	4.3
81.03422	1.6
81.07054	8.1
83.04984	0.7
83.08644	1.5
85.02902	3.9
85.03294	0.4
91.03952	2.2
91.05473	2.7
93.07049	3.0
95.04986	0.7
95.08604	2.5
96.10236	0.4
97.02895	3.0
97.06560	0.6
97.10167	0.9
99.04479	0.7
101.02396	1.2
102.75400	0.4
105.06995	2.3
107.08617	1.8
109.02921	0.6
109.06523	1.1
109.10165	1.8
117.07034	1.0
119.08579	1.9
121.10173	1.5
123.08017	0.5
123.11758	0.6
125.09702	0.9
127.03951	1.3
131.08600	1.1
133.10135	1.2
135.11713	0.7
145.10208	0.8
147.11696	0.9
149.09625	0.5
149.13300	1.0
159.11676	0.5
165.12744	0.5
171.11819	0.4
175.11224	0.7
175.44229	0.4
184.07411	1.1
185.04231	0.5
203.05350	0.6
215.28477	0.4
243.08372	3.2
275.20209	0.5
313.09134	0.5
330.65976	0.4
333.20313	2.7
351.21667	1.7
371.17099	0.5
389.23041	0.8
407.24030	0.9
423.19830	0.8
479.26599	0.5
551.28241	6.6
552.28937	0.5
569.29254	9.2
569.37787	0.6
570.30536	0.7
641.31158	0.7
835.95557	0.5
879.50665	100.0
880.50940	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39343	1.6
68.99806	3.7
69.03430	13.5
69.34738	7.5
71.01357	4.6
71.05012	2.5
73.58861	1.6
77.03954	1.9
79.05481	2.4
81.03421	76.4
85.02918	7.1
89.03936	2.5
91.05489	1.9
97.02906	5.7
98.23405	3.2
99.04456	9.5
105.03396	3.9
107.04954	3.5
109.02885	48.0
113.06033	1.9
117.03419	4.6
121.02886	1.8
125.02414	2.9
127.03931	41.1
131.05011	2.2
133.02844	14.9
135.04417	4.3
137.02371	2.1
139.03891	3.2
141.05505	5.9
145.02867	4.6
147.04405	4.1
149.02342	2.4
151.03912	2.6
153.01833	16.8
157.02919	2.0
161.02328	20.1
163.03899	28.5
165.01901	4.7
173.02393	6.7
175.03973	6.4
177.01863	2.6
179.03404	11.7
181.01318	3.0
187.03917	2.3
189.01837	44.9
190.02490	5.8
191.03389	43.1
191.04984	2.8
193.01343	6.9
195.02914	2.7
201.01828	15.5
203.03368	11.3
205.01372	4.9
205.04951	2.6
207.02901	32.7
209.00958	2.4
215.03372	3.1
217.01335	94.5
218.02113	13.6
219.02887	44.6
220.03358	4.0
221.00888	18.5
221.04379	10.5
229.01404	7.0
231.02870	18.1
233.04533	5.2
234.01717	4.0
235.02377	76.3
236.02791	2.5
236.91035	1.7
238.01222	1.9
239.01802	2.7
243.02846	2.4
245.00827	69.0
246.01573	5.8
247.02414	34.2
248.03015	1.8
249.03949	40.8
253.03455	3.7
255.02933	2.1
257.00916	6.3
259.02466	9.1
261.03900	8.8
262.01151	2.6
263.01874	38.2
264.02222	3.3
271.02383	1.6
271.06085	5.2
273.00293	82.8
274.01074	10.8
275.01913	21.5
277.03436	17.9
287.01883	9.0
289.03561	4.7
291.01404	17.4
291.04651	2.8
300.99817	45.4
301.03284	2.2
302.00351	3.7
303.01349	6.2
305.03046	10.7
309.02814	2.1
315.01318	3.2
319.00861	100.0
319.04153	4.0
320.01236	4.8
328.65662	1.8
333.02426	34.1
337.01877	35.2
347.03882	6.5
351.03464	95.8
352.03900	3.7
361.02011	8.2
365.05035	77.4
366.05484	3.8
399.03464	4.7
403.03140	2.0
407.05951	2.3
417.04666	7.5
427.02966	6.1
431.06052	2.3
445.03989	19.4
459.05698	5.2
463.05447	8.7
477.06741	3.1
495.20737	2.1
527.92377	1.8
735.03815	5.0
745.02417	4.5
763.03998	14.1
777.05096	3.3
781.05145	47.7
782.05115	8.8
795.06537	26.9
796.06567	2.4
799.05945	16.6
800.06042	2.7
809.08417	4.1
813.07288	6.4
827.08490	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	880.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42405	0.2
63.02387	0.7
67.01862	1.3
71.05001	0.3
81.02982	0.5
81.03426	6.0
89.03915	5.1
91.05506	0.6
93.06125	0.2
97.02892	2.5
98.22572	0.6
99.04469	0.6
105.37874	0.2
106.04163	0.3
109.02887	23.1
110.03211	0.5
115.04230	0.2
117.03386	14.4
118.03719	0.4
119.04945	0.3
121.06507	0.4
124.05214	0.2
127.03922	10.7
131.05025	0.2
134.03665	1.1
135.04422	1.0
137.05997	0.5
138.47849	0.2
139.03909	0.7
145.02853	43.7
146.03131	1.2
147.04445	0.5
149.05995	5.9
169.04971	4.7
177.05476	100.0
178.05826	4.3
186.05516	1.1
195.06496	0.4
229.33086	0.3
230.29739	0.3
243.06610	0.4
259.09735	0.4
265.92685	0.3
274.69952	0.2
285.07626	1.7
293.56903	0.2
303.08643	22.1
304.08990	1.2
331.10007	0.3
352.09833	0.3
355.08112	0.2
487.10071	0.4
515.15509	5.4
515.84924	0.3
516.15662	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	880.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02380	0.4
66.77097	0.3
67.01862	1.3
71.04972	0.5
72.49174	0.3
81.03422	4.9
85.02947	0.3
89.03913	4.6
91.05446	0.3
97.02866	1.8
99.04443	0.7
104.41504	0.3
109.02883	15.9
110.03108	0.4
117.03383	16.3
118.03705	0.4
127.03920	7.7
129.66382	0.3
134.03635	0.5
135.04379	0.9
139.86732	0.3
143.74495	0.4
145.02850	45.1
146.03191	1.5
149.05994	5.1
160.07843	0.3
169.04973	2.1
177.05473	100.0
178.05782	4.0
186.05521	0.8
219.97150	0.4
229.56641	0.5
257.35138	0.3
259.09644	0.8
264.90170	0.4
285.07544	1.6
303.08640	24.6
304.08878	1.3
338.59320	0.4
502.41833	0.3
515.07672	0.4
515.15454	7.4
516.16132	0.8
605.88477	0.4
785.73804	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	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	13.2
65.17862	0.9
67.05183	1.2
67.05507	14.9
69.03452	2.2
69.07072	8.0
71.04987	2.5
71.08632	22.6
73.02917	3.3
79.05492	14.8
81.03419	7.2
81.07059	23.7
83.01348	6.2
83.04987	6.8
83.08622	14.4
85.02911	15.8
85.06550	1.5
85.10189	13.5
86.41914	1.1
89.06071	1.6
91.03957	8.5
91.05479	7.6
93.07037	16.0
95.04977	3.8
95.08610	21.1
95.16888	1.2
97.02888	7.3
97.06541	2.9
97.10174	4.8
99.04445	1.1
105.07028	4.3
107.04957	5.9
107.08604	8.7
109.02870	1.0
109.06511	3.6
109.10174	8.7
111.04480	1.5
111.08070	1.2
117.07029	5.4
119.08582	6.4
121.06525	3.0
121.10154	4.1
123.08044	5.4
123.11718	2.3
125.06007	1.1
125.09633	1.2
127.03913	3.8
129.07013	1.4
130.07724	1.2
131.08563	2.0
133.10120	1.5
135.08026	1.2
135.11699	11.6
145.05002	2.4
145.10127	12.9
147.08018	1.4
153.12700	1.6
157.16541	0.8
163.06068	3.6
163.11168	18.2
173.09657	2.6
181.12259	3.9
209.11728	4.0
227.12723	7.7
229.36427	1.2
233.40218	1.1
239.23730	3.4
257.24698	2.0
283.15411	93.6
284.15762	3.1
313.27356	97.0
314.27673	7.3
521.38397	100.0
522.38654	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	882.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80053	1.1
67.01877	1.2
67.18089	1.0
69.03436	5.3
71.04993	3.4
79.05505	2.4
81.03424	41.5
84.51634	1.1
85.02914	3.4
87.77814	1.1
89.03935	1.8
91.05493	1.4
97.02895	4.3
98.22580	3.3
99.04459	4.8
102.38630	1.0
105.03410	1.8
107.04960	3.2
109.02888	27.2
109.62278	0.9
111.04443	1.5
115.03920	4.1
119.04949	1.8
123.00799	1.1
123.04468	1.4
127.03918	50.9
132.15068	1.1
133.02879	5.1
135.04399	3.5
137.02336	3.0
141.05479	6.5
143.70894	1.1
145.02898	2.4
147.04399	5.1
149.02275	1.2
151.03979	2.7
153.01842	1.9
159.04471	1.0
161.02341	2.2
162.03146	1.4
163.03903	18.4
165.01816	8.1
173.02371	4.4
175.00146	1.2
175.03954	2.7
177.01840	5.8
178.02591	1.3
179.03400	8.6
181.01315	3.1
181.05008	3.0
189.01848	8.8
190.02559	2.2
191.03398	52.4
192.00578	3.4
192.03720	2.5
192.26778	1.1
193.01361	13.5
193.05019	2.6
201.01863	8.2
202.27469	1.0
203.03383	10.4
205.01352	6.7
205.05031	1.8
207.02901	27.4
209.04445	1.0
215.03410	1.6
217.01331	11.5
218.02106	19.5
219.02895	58.5
220.03256	2.7
221.00827	73.5
221.04387	3.1
222.01163	2.7
223.02348	4.1
229.01346	4.2
231.02890	11.2
232.03174	1.2
233.00813	21.8
233.04407	14.0
235.02371	68.6
236.02669	2.3
237.03960	2.3
238.01053	1.4
239.01874	21.6
243.02878	1.3
245.00810	13.7
246.01428	2.9
247.02380	54.5
249.03941	3.2
253.03419	17.1
257.00803	14.0
259.02478	6.4
260.02939	1.3
261.03949	14.5
263.01831	7.0
265.03491	2.5
267.04999	3.1
273.00394	14.2
274.00708	2.1
275.01865	100.0
276.02417	6.3
277.03418	4.8
279.05087	2.4
285.00336	4.2
289.03430	33.7
290.03815	3.0
291.01306	4.6
291.04816	1.9
293.03082	6.6
293.06088	1.5
300.99774	4.8
302.00183	1.3
303.01352	30.3
303.04480	1.1
304.01694	1.9
307.04428	9.7
317.03012	6.4
319.00858	32.4
321.02441	9.8
333.02429	2.0
335.03986	25.2
337.01883	14.8
338.02426	1.5
339.03522	11.7
349.05682	1.6
351.03497	3.9
353.05032	73.2
354.05322	3.8
361.01743	2.1
365.04941	1.4
367.02032	2.3
367.06610	46.4
368.06964	2.8
417.04248	2.6
445.04062	8.5
447.05637	1.4
461.07071	3.1
463.04745	3.5
479.08151	2.0
517.05652	2.4
535.53510	1.3
751.07147	2.9
765.05035	3.5
779.06689	2.5
783.06744	12.8
784.06671	1.9
797.08313	26.1
798.08008	3.7
801.07501	3.8
811.08514	1.6
815.09265	12.9
829.10651	2.7
833.10175	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	882.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86832	0.6
67.01850	0.7
69.03388	1.7
70.84516	1.1
77.03936	0.7
81.02997	1.1
81.03425	14.0
83.01340	0.7
85.02919	3.4
87.04443	1.9
89.03916	1.0
91.05482	1.1
94.82421	0.6
95.01301	1.0
97.02882	1.7
99.04428	1.5
107.04895	0.6
109.02882	6.9
113.02377	14.3
114.02706	0.7
115.03937	9.2
119.04922	0.8
123.00846	0.7
125.02380	0.6
127.03926	23.2
133.02873	0.9
135.04425	3.1
137.02296	1.7
145.02818	1.4
147.04451	3.3
149.02350	1.0
150.34140	0.6
153.01813	1.6
157.02808	0.9
161.02312	1.3
163.03899	8.2
165.01854	5.4
166.02577	1.1
167.03371	1.2
173.02339	0.9
175.03928	3.6
177.01813	2.7
177.05504	1.5
179.03223	1.2
181.01299	5.4
185.02353	0.8
187.04001	0.7
189.01811	2.7
191.03392	22.1
193.01344	8.5
193.04929	0.8
194.02098	1.1
197.04483	6.5
201.01851	3.3
202.02562	2.0
203.03412	20.0
204.03859	1.0
205.01314	3.5
205.04861	0.9
207.02902	3.5
209.04416	1.9
217.01337	5.9
217.04893	3.1
218.02122	1.3
219.02895	61.2
220.03320	2.4
221.00835	12.2
221.04405	2.4
223.05930	1.5
225.03940	1.8
229.01294	6.0
231.02895	11.3
232.03352	0.8
233.00810	16.0
233.04478	1.6
234.01060	0.8
235.02370	5.5
235.06058	1.5
236.02950	0.6
237.04007	2.6
239.01947	0.8
245.00856	5.1
246.01552	0.8
247.02391	100.0
248.02715	4.4
249.03940	1.7
251.05493	1.5
253.03481	2.5
257.00833	9.8
258.01056	0.8
259.02396	2.2
261.03976	9.5
263.01883	2.2
263.05573	4.7
265.03452	5.4
273.00311	6.5
275.01871	89.0
276.02200	4.4
277.03464	1.7
279.05090	5.3
289.03442	8.1
291.01395	1.6
291.05042	1.7
293.03067	0.8
300.99768	1.8
303.01349	8.1
305.02899	1.5
307.04501	50.9
308.04834	2.6
315.04745	0.8
317.03030	1.1
319.00803	6.6
321.02469	1.0
321.06116	2.2
323.07910	0.7
333.02316	1.9
335.03967	38.9
336.04288	1.8
337.01907	5.2
339.03473	1.2
339.07144	1.7
349.05673	2.6
351.03500	0.8
353.05035	5.1
367.06628	59.6
368.06918	2.2
379.02979	5.3
385.07349	1.3
393.04498	1.3
411.05634	1.4
415.06964	0.8
445.04037	3.2
461.07108	1.0
463.05151	2.2
475.08813	1.0
482.06573	0.6
483.00024	0.7
493.09802	0.9
577.07361	0.7
797.07434	2.4
815.08881	0.7
829.10547	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	882.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.5
65.29750	0.8
67.05508	21.1
67.64931	0.7
69.03439	1.5
69.07074	4.4
70.27956	1.9
71.04979	1.6
73.02909	0.6
73.06557	0.8
79.05498	26.5
80.05814	0.8
81.03426	32.8
81.07060	16.6
83.04980	6.4
83.08626	7.0
85.02908	1.9
85.06520	1.0
91.03959	0.9
91.05485	24.2
93.07050	23.8
95.04975	14.4
95.05560	1.1
95.08056	1.0
95.08614	9.0
97.02908	2.4
97.06546	2.7
97.10172	1.7
103.05444	0.9
105.04501	0.7
105.07034	17.9
107.04948	5.2
107.08599	7.5
109.06537	3.5
109.10174	2.5
111.08096	2.8
115.05405	0.9
117.07034	2.7
119.08586	11.2
121.06516	2.5
121.10161	3.9
123.08077	2.3
125.09679	1.1
128.06227	1.0
129.07001	7.8
131.08578	4.4
133.06490	1.6
133.10139	6.0
135.04414	0.8
135.11708	1.6
136.99052	0.6
142.07822	0.6
143.08594	2.8
145.10112	3.8
147.08076	2.3
147.11688	14.3
149.09689	1.7
157.10138	3.9
159.11678	0.7
161.09616	1.3
161.13272	3.3
171.11674	9.1
175.11191	2.8
189.12775	3.0
193.12274	6.5
207.13829	8.6
223.13275	0.7
249.14842	0.9
267.15933	30.9
268.16278	1.0
269.17535	0.8
281.17487	37.6
282.17886	1.1
286.17798	0.7
309.16791	0.7
421.26212	0.8
447.27631	1.0
473.29019	100.0
474.29425	9.7
491.30090	3.2
515.30194	2.4
581.30542	1.4
617.28949	1.0
635.30811	1.7
670.94403	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	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.5
67.05505	19.6
69.03426	3.5
69.07069	9.3
69.84664	2.4
71.05000	2.2
71.08633	17.9
73.02912	3.4
75.10136	0.6
79.05495	14.4
81.03419	33.2
81.07060	25.1
83.04979	7.8
83.08622	16.6
83.36177	0.7
85.02905	19.7
85.06541	1.6
85.10185	12.1
87.04475	1.7
89.06029	1.3
91.03955	5.5
91.05482	17.8
93.07047	10.2
95.04970	11.8
95.08606	19.5
95.29785	0.6
96.08943	0.7
97.02892	6.2
97.06538	2.2
97.10187	5.8
99.04469	1.1
99.08107	0.6
99.11714	0.7
103.07533	0.7
105.07031	11.8
107.04964	3.6
107.08602	4.4
108.04477	0.7
109.02872	0.9
109.06527	2.7
109.10159	8.4
111.04449	1.6
111.08096	5.3
113.06021	2.0
115.05415	0.9
117.07001	1.4
119.08582	9.5
121.06492	1.3
121.10133	5.2
123.08050	1.9
123.11727	4.5
125.06033	0.7
125.09692	0.9
126.05573	1.0
127.03922	2.3
129.07011	6.5
131.08566	6.6
133.06465	1.5
133.10126	6.2
135.11717	0.9
137.09610	1.0
141.77983	0.6
142.07794	1.4
145.04968	2.0
145.10095	1.4
147.08058	1.9
147.11682	7.7
149.09619	4.6
155.34520	0.7
157.10135	7.7
159.11519	0.6
163.06047	1.8
163.11232	0.7
165.12762	1.2
175.11165	8.0
184.07368	1.4
193.12236	22.7
194.12703	0.8
211.13293	26.8
212.13652	1.4
239.23709	2.3
253.14502	0.8
254.00777	0.6
257.24866	1.6
267.15927	14.0
275.20068	1.0
285.16962	38.4
286.17377	2.0
291.19589	1.6
313.27356	73.5
314.27780	4.3
349.23541	0.7
365.23126	1.0
378.04266	0.6
505.38861	17.1
506.39267	1.8
523.39948	100.0
524.40338	11.3
617.38293	0.7
667.44720	1.1
760.00946	0.6
786.67316	0.7
882.48523	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	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60278	1.5
65.03931	2.3
67.05504	19.8
69.03421	3.6
69.07062	9.0
71.04984	3.6
71.08630	17.9
72.43214	1.4
73.02903	4.9
79.05492	14.9
80.39992	1.5
81.03418	42.9
81.07050	28.4
83.04987	7.9
83.08623	21.9
83.85284	1.5
84.17934	1.5
85.02902	26.4
85.10178	11.1
87.04465	2.9
91.03954	10.1
91.05473	21.3
93.07046	10.0
95.04951	13.3
95.08619	21.1
97.02889	9.9
97.06529	2.9
97.10177	3.8
99.08018	1.8
105.07043	14.4
107.04960	4.8
107.08592	5.6
109.06480	2.8
109.10142	10.6
111.08057	7.9
113.06026	1.7
115.05464	2.1
117.06991	2.6
119.08582	11.4
121.06458	2.0
121.10116	9.5
123.11713	3.5
127.03901	2.5
129.06981	5.1
131.08554	9.7
133.06303	1.7
133.10106	8.7
142.07753	2.1
145.04948	2.2
145.10107	1.8
147.08022	1.9
147.11681	9.9
149.09616	5.4
157.10184	10.1
160.17853	1.5
163.06053	3.7
175.11186	10.5
193.12227	33.8
211.13289	47.4
239.23936	2.1
267.15912	19.2
285.16959	66.7
286.17310	3.2
313.27335	70.6
314.27609	5.2
328.00513	1.7
397.89026	1.8
407.03262	1.7
505.38852	15.6
523.39978	100.0
524.40491	11.5
717.38458	1.9
882.48077	4.2
883.48505	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	883.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27650	0.2
67.05512	0.4
68.99789	2.8
69.03410	0.2
69.51467	0.2
70.32527	0.2
70.32872	0.7
77.03942	0.4
77.16343	0.2
79.01846	4.4
89.03901	0.3
91.05497	0.4
93.03452	0.3
95.04980	0.7
97.02876	1.1
103.05477	0.4
103.39384	0.2
105.03396	0.6
107.01315	0.6
107.04929	0.7
109.02895	0.4
111.00114	0.2
111.00803	1.0
111.04451	0.8
115.05463	0.7
117.07009	0.4
119.04955	0.6
121.02869	0.3
123.04431	29.7
124.04738	0.6
125.02368	2.2
127.03918	3.1
129.07033	0.5
131.04955	1.0
133.06490	0.4
135.04407	2.2
137.02353	1.4
139.03900	8.5
139.05507	0.4
141.01871	0.4
141.06999	0.7
143.03401	5.7
145.02834	0.4
145.06482	0.7
147.04402	3.4
149.02361	0.7
149.05971	0.7
151.03906	11.3
153.01834	100.0
153.02893	5.6
154.02144	3.0
154.03268	0.3
155.04936	0.7
157.06503	0.6
159.04430	1.2
161.02292	0.9
161.05945	1.4
163.03923	8.5
164.04237	0.3
165.05544	1.1
165.06778	0.3
167.03423	0.5
169.06494	1.2
171.04417	0.5
173.05995	2.0
175.03920	1.9
175.07500	0.3
177.05460	0.9
179.03394	5.9
179.06943	0.3
181.06462	0.8
183.04437	1.0
185.05962	1.7
187.03899	3.6
189.01794	0.2
189.05473	2.9
191.03357	1.1
193.04909	1.4
197.06007	2.4
199.04037	0.3
201.05464	2.8
203.03404	2.6
203.07019	1.3
205.04889	0.4
207.02904	1.2
207.06567	0.5
209.05951	0.4
211.03944	0.5
213.05479	2.1
215.03389	0.9
215.06924	1.1
217.05000	2.3
221.05998	0.3
225.05467	1.7
227.07011	0.7
229.04967	3.6
231.06497	0.5
233.04449	0.4
237.05579	1.2
241.04924	2.3
243.06500	1.3
245.04460	3.1
247.06020	6.4
253.05025	1.8
255.06512	2.1
257.04437	1.7
259.06027	11.9
260.06467	0.6
265.04959	0.9
269.04498	0.7
271.06015	47.6
272.06421	2.4
273.07507	1.7
275.05475	0.9
281.04324	0.4
283.06006	10.3
284.06409	0.8
285.07544	0.4
287.05481	10.4
288.05826	0.4
289.07022	1.2
291.08560	0.9
295.06055	1.9
299.05457	3.6
301.07074	1.1
303.04947	0.6
315.04926	0.7
331.04486	3.3
332.04462	0.2
369.85672	0.2
391.08109	0.5
393.09668	10.7
394.10016	0.9
409.09167	11.8
410.09506	1.0
411.10599	1.3
417.09573	0.7
421.09073	1.2
422.08911	0.3
443.09741	0.3
453.07312	0.2
563.11798	1.5
709.89587	0.3
817.36481	0.3
895.07159	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	883.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75558	0.3
66.81641	0.3
67.05500	0.8
68.99790	3.6
69.60023	0.5
69.60438	1.1
77.03920	0.6
79.01858	4.6
81.03411	0.4
91.05480	0.5
95.04981	1.4
97.02907	0.9
98.23256	0.4
105.03397	1.6
107.01308	1.0
107.04974	1.3
109.02875	0.6
111.00818	2.1
111.04462	0.6
116.47437	0.3
117.03390	0.5
119.04931	0.8
123.04433	60.6
124.04786	1.7
125.02345	2.1
126.66872	0.3
127.03934	3.6
128.06181	0.3
131.04950	1.1
133.02821	0.3
133.06537	0.4
135.00737	0.6
135.04428	3.5
137.02338	1.4
139.03917	6.9
141.07010	0.7
143.03404	5.2
145.06483	0.5
147.04411	3.4
149.02379	0.8
150.03235	0.4
151.03909	3.7
153.01831	100.0
154.02170	2.4
155.04904	1.5
157.06488	0.7
159.04436	0.8
161.05992	1.3
163.03909	15.3
165.05484	1.0
165.07001	0.9
168.05667	0.4
169.06496	1.1
173.02351	0.9
173.06000	3.4
175.03912	0.9
177.05554	0.7
179.03406	15.8
180.03758	0.4
181.06441	1.0
183.03058	0.3
183.04364	1.6
185.06023	1.2
187.03865	3.1
189.05490	1.5
191.03474	0.7
193.04938	0.5
193.06538	0.6
197.05984	3.5
201.05473	5.6
203.03384	3.4
203.07079	1.5
205.05006	0.7
207.04446	0.4
211.03992	0.5
211.07597	0.6
213.05446	1.5
215.03456	0.6
215.07030	1.0
217.05025	0.7
219.06483	0.7
220.08658	0.4
221.05960	2.2
225.05443	3.0
227.03378	0.4
229.04985	7.9
230.05351	0.5
231.06348	0.6
237.05463	1.1
239.07051	0.5
241.04994	1.2
242.05836	0.3
243.06534	1.9
244.49290	0.3
245.04468	1.4
247.06029	27.9
248.06392	1.4
249.05417	2.1
253.04935	4.1
255.06522	2.6
257.04471	2.5
258.05054	0.4
259.05991	1.0
265.04816	0.8
267.06580	1.9
269.04361	1.8
271.06015	71.7
272.06302	3.8
273.07568	1.8
275.05508	0.9
277.04855	1.0
283.02936	0.3
283.05969	7.5
283.08890	0.6
284.06418	0.5
285.07642	1.1
287.05511	5.2
289.07059	3.2
291.05042	1.0
295.06012	13.8
296.06433	0.9
297.07468	1.9
299.05505	4.2
303.05008	1.1
303.08609	0.8
307.05988	0.4
311.05466	1.7
313.06964	0.9
315.05002	2.4
331.04486	12.2
332.04761	0.8
355.04395	0.4
382.08789	0.3
391.08228	0.7
393.09521	1.2
409.09183	5.2
410.09546	0.7
411.10522	0.6
417.09683	2.2
418.10269	0.5
421.09137	6.7
422.09445	0.5
433.09064	0.5
435.10764	1.8
441.08215	2.4
509.32028	0.3
543.13031	2.2
563.12024	0.5
713.14111	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	883.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.4
67.01854	0.5
67.05492	1.0
68.99454	0.4
68.99787	9.6
69.73225	1.1
69.73617	0.8
77.03945	1.4
79.01852	5.2
79.05527	0.5
81.03416	3.2
83.04970	0.6
89.03915	0.5
91.05492	0.7
93.03388	1.1
94.61513	0.4
95.04983	1.5
97.02898	1.5
99.04436	0.6
103.05489	0.8
105.03403	1.0
105.14935	0.4
107.01306	1.2
107.04979	2.5
109.02879	3.1
111.00807	6.4
111.04467	3.4
114.08573	0.5
115.05458	1.3
117.03374	0.7
117.07045	0.6
119.04948	2.3
121.02872	1.4
121.06529	0.5
123.04432	58.8
124.04772	1.6
125.02356	2.9
127.03918	64.6
128.04282	1.3
128.06160	0.5
129.07014	0.6
131.04941	2.5
133.02870	1.8
133.06563	0.6
135.04417	19.1
137.02342	3.0
137.06004	0.5
139.03903	46.8
140.04228	1.1
141.06966	1.4
143.03387	6.1
143.04942	1.2
145.06508	1.3
147.04408	10.7
149.02354	4.0
149.05949	1.8
150.03000	0.6
151.03905	28.7
152.04178	0.7
153.01833	100.0
153.02893	5.2
154.02170	3.1
155.03384	2.5
155.04910	1.3
157.02872	0.4
157.06491	2.0
159.04459	3.1
161.02382	2.1
161.05980	3.5
163.03908	28.7
164.04353	0.6
165.01869	0.8
165.05487	4.5
167.03453	3.0
167.04651	0.6
169.04985	1.5
169.06508	2.0
170.25603	0.4
171.04387	1.3
173.02380	0.4
173.06009	4.2
175.03906	8.6
177.05472	5.4
179.03392	24.2
179.06917	0.8
180.03795	0.9
181.05069	0.9
181.06453	1.5
183.04362	2.1
185.05994	3.3
187.03902	6.8
187.07556	0.9
188.04280	0.5
189.05482	5.6
191.03394	7.8
193.04994	3.5
197.05994	4.0
199.03902	1.7
199.07571	0.6
201.05464	6.3
203.03389	16.4
203.07069	1.8
204.03775	0.6
205.05013	2.4
207.02916	1.0
207.06474	1.2
209.06049	1.1
211.03967	0.8
213.05452	5.1
214.06041	0.8
215.03491	2.2
215.07047	2.1
217.04941	6.0
219.06523	1.2
221.04419	0.8
223.02362	1.2
225.05464	2.7
226.06027	0.6
227.03384	1.1
227.07079	1.4
229.04953	9.1
230.05360	0.7
231.02934	0.5
231.06575	2.6
233.04445	3.2
235.88545	0.4
237.05447	2.5
239.07088	0.5
241.04967	4.7
243.06544	2.4
244.03850	0.6
244.24632	0.5
245.04451	41.3
246.04855	1.9
247.06021	17.6
248.06288	0.6
251.05458	0.7
253.05110	2.4
255.06436	4.0
257.01968	0.9
257.04453	11.1
258.05090	1.3
259.06033	17.0
260.06290	1.2
263.05490	13.1
265.04898	2.4
267.06494	1.0
269.04483	5.0
270.05121	0.6
271.06009	58.6
272.06436	3.2
273.07571	2.8
274.04678	1.3
275.05502	11.8
277.07150	0.7
279.06552	0.6
281.04425	1.6
283.06006	15.8
284.06381	1.5
285.03867	1.5
286.04498	0.7
287.05487	35.4
288.05853	1.6
289.07043	12.0
291.08646	10.8
295.06113	2.7
297.04056	1.2
297.07449	0.9
299.05511	6.8
301.07043	7.1
303.05002	1.4
303.08679	1.4
305.06659	4.7
307.06119	1.0
309.03854	1.2
309.07510	0.8
311.05399	1.2
313.07059	1.6
315.04950	1.0
317.06656	1.1
323.05493	1.7
325.07074	0.6
331.04474	3.1
331.07941	0.6
335.05408	0.7
351.04999	1.3
361.06842	1.1
365.06387	1.1
377.06873	0.6
379.08105	1.6
383.07654	1.4
389.06421	1.3
391.08066	1.1
393.05939	1.2
393.09836	10.6
394.10226	1.0
395.07590	0.8
405.05884	1.7
407.07629	12.5
408.07870	1.4
409.09183	23.9
410.09689	2.2
411.10739	3.9
412.07898	0.6
413.08633	2.3
417.05331	0.6
419.07648	2.0
421.09250	2.2
423.07153	0.7
425.08655	7.1
427.10193	7.7
428.10791	0.8
435.06815	0.9
437.08624	2.2
439.10092	1.6
441.07971	0.8
443.09415	0.7
449.08771	2.3
451.10364	1.2
467.10037	0.7
527.09454	1.1
533.10730	1.5
543.09351	1.3
545.11017	3.1
551.11853	1.1
557.10748	1.1
561.09698	1.1
563.11633	1.6
579.14746	2.0
587.11688	1.0
593.12488	1.0
695.13684	0.8
697.14899	0.9
713.14935	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	883.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35214	0.7
65.03941	1.6
67.01879	1.0
67.05503	1.4
68.99791	13.4
69.38701	3.5
69.39117	1.4
79.01872	0.8
81.03432	4.5
83.04962	1.7
85.02898	1.2
89.03919	1.7
91.05476	2.6
93.03399	1.8
95.04978	2.8
99.04437	1.2
105.03413	1.4
107.04953	3.6
109.02880	6.9
109.35084	0.6
111.00809	13.3
111.04463	6.2
115.05463	1.9
117.03409	0.7
117.06998	1.2
119.04934	3.3
121.02860	2.3
121.06474	1.0
123.04436	59.2
124.04646	1.0
125.48219	0.7
127.03921	100.0
128.04259	2.3
129.06958	0.8
131.04933	3.0
133.02841	2.3
133.06581	0.8
135.04419	35.2
136.04729	0.9
137.02379	3.0
137.05936	1.6
139.03905	68.8
140.04234	1.9
141.07001	1.4
143.04951	1.4
145.06458	2.0
147.04425	11.0
149.02339	7.1
149.05910	1.1
151.03911	31.5
152.04271	1.1
153.01831	8.8
153.05475	1.3
155.03571	1.6
155.04927	3.2
155.06047	0.8
157.06537	1.5
159.04445	3.4
161.02454	0.9
161.05992	3.8
163.03911	36.8
165.01881	1.1
165.05495	7.2
167.03360	4.0
169.04976	4.2
169.06448	1.8
171.04469	0.9
173.06007	4.8
175.03902	10.5
177.05457	9.9
179.03401	39.7
180.03777	1.5
181.04965	1.4
183.04474	4.3
185.06027	2.5
187.03853	5.8
189.05473	5.0
191.03407	13.2
192.03758	0.8
193.05003	3.5
197.05977	4.8
199.03946	2.7
201.05492	11.7
203.03409	23.1
203.06952	1.1
204.03661	0.8
205.05022	2.8
207.06508	1.2
211.03908	1.8
213.05479	5.1
215.03386	2.5
215.07086	2.5
217.04965	6.3
218.32449	0.7
219.06546	2.4
221.04422	0.9
223.02390	2.1
224.94188	0.8
225.05550	3.5
227.03352	1.5
229.04980	15.4
230.05475	1.0
231.02914	1.0
231.06567	3.5
233.04536	6.0
239.07133	0.9
241.04962	2.9
243.06610	2.7
245.04460	72.7
246.04947	3.5
247.06023	58.6
248.06371	2.8
251.05399	0.9
251.91284	0.8
253.04842	2.1
257.04462	18.0
258.05154	2.0
259.05930	6.7
261.07697	1.4
263.05539	9.9
269.04422	7.1
270.05011	1.2
271.06009	19.0
272.06320	1.6
273.03964	0.8
274.04922	1.0
275.05508	28.8
276.05911	1.4
281.04422	2.3
283.06055	3.3
285.04156	1.5
287.05490	51.5
288.05917	3.0
289.07065	10.1
291.08652	25.0
292.09100	0.9
295.06006	1.7
297.03928	1.6
297.07645	0.9
299.05536	17.1
300.05829	1.1
301.07025	1.5
305.06604	14.2
307.06110	1.3
309.04007	2.0
311.05475	2.9
317.06580	15.1
318.06732	1.1
321.04013	1.1
321.07733	2.3
323.05475	1.7
327.05112	0.9
329.06451	1.6
337.07117	1.4
337.32083	0.8
339.04837	1.6
347.07776	1.1
349.07083	2.0
351.04956	2.5
359.04996	0.7
377.06448	1.7
379.07974	1.8
379.88934	0.8
381.06290	1.0
391.08264	1.5
393.05792	3.6
395.07611	1.6
397.09326	7.6
399.07254	1.0
401.06494	1.1
405.06049	7.6
406.06433	1.0
407.07608	4.0
409.09164	8.9
410.09885	0.8
411.06821	1.5
419.07693	2.2
421.09286	1.6
423.07040	15.8
424.07590	1.4
425.08640	18.6
426.08951	1.1
427.10291	7.5
428.10910	1.0
431.08002	1.0
435.06812	3.9
437.08875	2.3
441.08075	5.5
443.09674	11.2
444.10269	1.1
449.08859	2.6
451.10529	1.9
453.07828	4.4
455.09592	2.1
465.07925	1.2
467.09595	1.2
469.11685	1.4
527.09583	1.8
533.10657	1.6
543.09247	1.5
545.10754	4.1
551.11670	1.5
557.10822	2.1
561.10431	1.1
589.13116	1.0
595.14240	5.9
695.12354	0.8
715.15411	0.9
731.15845	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	884.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.3
67.05505	55.4
69.03434	3.8
69.07072	23.3
71.04994	28.3
71.08641	2.9
73.06569	1.2
79.05492	52.5
80.05835	1.1
81.03420	7.6
81.07058	100.0
81.59924	0.8
82.07398	2.0
83.04990	8.5
83.08620	32.4
85.02918	2.5
85.06544	5.1
85.10206	1.7
91.05482	49.2
93.07047	44.0
94.04152	1.2
95.01366	1.3
95.04973	21.6
95.08604	40.5
97.02912	2.1
97.06524	11.6
97.10178	3.9
99.04419	1.8
99.08091	4.8
103.05544	0.9
105.04537	2.6
105.07034	43.6
107.04959	16.9
107.07869	1.5
107.08599	27.4
109.06516	28.9
109.10155	19.0
111.04446	8.3
111.08076	9.3
113.05999	0.9
113.09640	4.8
115.05499	1.5
116.06247	1.4
116.39437	0.8
117.07014	17.6
119.08582	40.2
121.06507	8.4
121.10143	21.0
123.04527	1.0
123.08063	10.2
123.11697	6.7
125.06014	1.8
125.09634	5.2
128.06227	1.6
129.07007	4.1
130.07806	1.0
131.08569	20.0
131.09491	1.3
133.06509	2.2
133.10133	24.5
135.08057	7.0
135.11678	12.7
137.09625	8.1
137.13220	1.4
139.07483	1.1
139.11186	2.7
141.07002	2.5
142.07764	1.4
142.50925	0.9
143.08545	4.4
145.06531	2.1
145.10118	21.4
147.08041	2.8
147.11684	18.6
149.09618	18.3
149.13254	8.9
150.10022	1.1
151.11168	6.0
155.08566	3.2
157.10158	5.6
159.08153	1.4
159.11693	15.8
160.12117	1.0
161.09660	2.3
161.13231	5.1
163.11179	20.3
163.14862	2.6
165.12762	7.1
167.10651	0.9
169.10156	3.7
171.11679	4.6
173.09656	2.1
173.11839	1.6
173.13290	7.1
175.11198	4.4
175.14877	1.9
177.12704	4.9
179.14360	1.3
183.11697	2.4
184.07430	1.8
185.11772	1.6
187.11208	2.8
187.14873	2.6
189.12878	2.0
189.16425	1.0
191.14282	1.6
193.12270	2.2
194.39948	0.9
197.13292	3.4
201.12790	1.0
201.44725	0.9
205.12244	1.4
207.13922	1.4
211.14841	1.1
215.14412	1.4
215.17856	1.2
223.13121	1.1
227.12802	1.2
229.02530	1.1
229.19534	6.0
239.18065	4.9
247.20607	4.4
257.19016	9.8
267.15927	2.0
269.17462	1.0
275.20059	97.2
276.20483	4.3
277.21545	0.9
287.18652	1.2
289.21588	1.4
293.21140	6.9
307.22650	13.6
313.27277	1.9
331.22665	1.6
335.25751	1.6
349.23740	71.4
350.24008	4.5
367.24973	2.6
381.26358	83.0
382.26639	5.3
418.71198	1.1
459.31137	1.7
467.37225	6.9
473.81326	1.0
493.39377	0.9
513.36182	3.1
525.41553	7.6
529.38586	1.4
575.39417	3.8
623.43042	59.5
624.43604	6.5
641.44098	14.7
642.44104	1.4
655.45648	34.8
656.45367	4.5
673.46704	11.9
674.46289	1.8
687.48254	25.6
688.48566	3.5
701.45551	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	884.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	3.8
65.27442	0.9
67.05505	54.0
69.03431	3.6
69.07069	20.8
71.04994	22.1
71.08624	1.1
73.06552	1.1
79.05495	48.1
81.03422	7.8
81.07057	97.9
82.07399	1.1
83.04995	7.2
83.08618	38.5
85.02896	2.1
85.06540	3.5
87.13103	1.0
91.05482	50.1
93.07045	44.4
95.04973	30.8
95.08609	37.3
95.09223	1.3
97.02858	1.1
97.06523	9.7
97.10165	5.3
99.04485	2.2
99.08107	3.0
103.05508	1.4
105.04547	1.4
105.07033	42.9
107.04951	21.1
107.08598	32.1
109.06512	26.9
109.10150	17.4
111.04451	7.5
111.08089	8.4
113.09667	2.5
115.05476	2.3
117.07024	17.4
119.08581	37.1
121.06486	10.2
121.10141	19.8
123.08073	11.4
123.11686	7.3
125.09638	6.0
129.06979	6.1
130.07814	2.0
131.08572	22.9
131.09505	1.8
133.06508	3.5
133.07637	0.9
133.10136	28.3
135.08054	7.1
135.11679	10.0
137.09621	7.3
139.11174	2.7
141.06993	1.7
141.09085	1.0
143.08557	4.7
145.06537	1.7
145.10130	24.7
147.08080	4.0
147.11679	23.7
147.12746	1.5
149.09615	19.9
149.13257	7.5
151.11174	6.3
155.08569	3.0
157.10121	5.9
159.08032	1.2
159.11693	14.4
161.09650	3.1
161.13266	7.2
163.11182	28.0
163.14844	4.1
165.12750	8.0
169.10153	3.4
171.11716	4.2
173.09628	3.5
173.13234	7.7
175.11201	4.6
175.14851	2.5
177.12708	5.1
179.10751	1.2
179.14357	2.5
183.11714	4.9
184.07408	2.2
184.12051	1.1
185.13255	1.5
187.11174	3.2
187.14806	2.0
189.11172	1.3
189.12733	3.1
191.10635	1.6
191.14272	2.5
193.12276	1.8
197.13283	2.6
201.12776	1.4
205.12285	4.2
207.13815	2.0
213.16344	1.2
215.14374	1.3
215.17915	1.3
223.13373	1.4
227.12808	1.2
229.19562	4.3
239.18019	5.2
247.20505	6.4
257.18979	10.0
267.15894	2.3
273.18427	1.9
275.20059	100.0
276.20483	4.4
289.04214	1.2
289.21609	1.6
291.19681	1.2
293.21100	10.4
307.22632	12.8
331.22748	4.1
349.23724	92.7
350.24084	4.1
363.25253	1.3
367.24863	2.0
381.26346	55.6
382.26639	4.2
459.31024	1.8
467.37497	2.0
513.35999	1.9
515.33710	1.2
525.41290	3.5
543.36719	1.0
549.39789	2.2
623.43054	74.1
624.43414	9.4
641.33923	1.6
641.44098	22.4
642.44391	2.3
655.45563	42.9
656.45819	5.4
673.46606	5.2
687.48352	30.9
688.48260	4.1
885.48041	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	884.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.0
67.05508	53.8
68.05848	1.1
69.03436	3.6
69.07076	18.7
69.18607	8.5
71.04998	30.8
71.05379	2.4
71.08633	3.7
73.02930	1.6
79.05498	42.8
80.05866	1.7
81.03433	6.2
81.07061	100.0
82.07396	1.5
83.04981	5.4
83.08625	17.7
85.02924	3.4
85.06561	4.3
85.10175	2.6
91.05482	36.8
93.07048	35.3
95.04981	13.9
95.08613	35.0
97.02924	2.0
97.06538	8.8
97.10177	3.7
99.04494	1.4
99.08125	4.4
105.04612	1.2
105.07032	32.8
107.04949	12.1
107.08598	26.6
107.09291	2.0
109.06519	29.3
109.10157	17.6
110.06844	1.2
111.04444	9.1
111.08102	6.5
113.09649	4.7
117.07011	10.5
119.08589	29.4
121.06509	7.1
121.10149	17.3
123.08085	10.3
123.11721	6.2
125.09662	3.5
127.07564	1.1
128.06299	1.0
129.07018	5.4
131.08578	15.3
133.06523	1.4
133.10129	21.2
135.08072	6.3
135.11697	11.8
137.09605	7.0
137.13251	1.7
139.07504	1.3
139.11209	1.8
141.07024	1.6
143.08598	2.3
145.10133	13.5
147.08098	3.3
147.11691	17.1
149.09631	11.0
149.13258	8.1
151.11232	4.0
155.08559	1.9
157.10184	5.2
159.11729	10.8
161.09743	1.8
161.13315	3.0
163.11206	9.2
163.14885	2.2
165.12787	4.0
169.10146	1.6
171.11664	1.8
173.11833	2.4
173.13313	4.0
175.11240	2.8
175.14807	1.7
177.12773	3.0
183.11734	2.0
185.13356	2.1
187.14896	1.5
189.12834	1.4
193.12326	1.8
197.13214	1.8
200.84996	1.3
205.12245	1.2
229.19562	3.7
239.18007	3.8
247.20650	5.8
257.18976	7.4
267.15808	2.9
275.20068	76.3
276.20428	5.5
293.21130	7.0
307.22702	16.3
313.27466	4.8
331.22806	2.3
335.25919	2.5
349.23721	48.4
350.24100	3.6
365.23190	2.8
367.24844	1.5
381.26364	80.8
382.26538	5.6
467.37332	15.4
493.38937	2.2
525.41486	20.5
526.41589	2.1
529.38989	3.8
568.52985	1.3
623.42999	52.3
624.43115	7.8
641.44269	8.7
642.44189	2.1
655.45679	26.4
656.45752	3.7
673.46802	14.5
674.46533	1.6
687.48352	27.6
688.48395	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	884.574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.3
67.05511	39.8
69.03433	4.0
69.07066	17.4
71.04999	5.6
71.08627	2.0
73.02901	1.6
78.96140	1.3
79.05497	33.9
81.03422	9.6
81.07063	43.6
81.43180	1.3
82.07404	1.6
83.04996	4.4
83.08622	36.8
85.02913	2.9
85.06572	2.7
91.05484	38.9
93.07049	35.5
95.04974	37.8
95.08613	27.4
97.02914	1.4
97.06535	9.2
97.10170	5.7
99.08067	1.8
103.05498	1.7
105.07040	31.7
107.04948	19.9
107.08600	24.6
109.06535	11.2
109.10155	14.7
111.08064	7.0
115.05442	1.7
117.07018	15.6
119.08588	28.7
121.06476	8.9
121.10139	14.7
123.08072	4.5
123.11724	2.5
125.09635	6.2
129.07033	4.6
131.08569	18.0
133.06506	2.6
133.10136	17.8
135.08089	5.9
135.11705	8.2
137.09642	3.4
139.11160	1.6
143.08578	5.1
145.06458	1.6
145.10126	19.4
147.08060	2.7
147.11723	12.0
149.09644	20.4
149.13286	2.5
151.11205	3.2
155.08597	2.5
157.10121	6.3
159.11687	13.1
161.13274	4.3
163.11185	26.5
165.12766	5.1
169.10138	3.1
171.11705	3.8
173.13274	3.4
175.11217	2.6
177.12733	6.5
179.14333	1.6
183.11751	4.4
184.07381	2.7
185.11725	1.3
187.11346	1.9
189.11256	2.0
189.12770	2.0
193.12282	2.1
205.12198	3.4
207.13872	1.8
215.14253	1.6
215.84380	1.3
223.13319	3.8
227.12744	2.8
229.19569	5.1
239.17975	6.4
247.20671	3.3
257.19000	10.1
267.16034	2.3
275.20084	80.7
276.20462	3.0
290.49136	1.5
291.19449	1.9
293.21136	8.0
307.22729	4.7
331.22699	5.6
349.23752	100.0
350.24072	6.8
367.24887	1.9
381.26370	26.1
382.26794	2.5
515.33282	2.7
524.39972	3.0
525.41156	6.9
533.34735	1.4
571.36139	3.3
623.43079	52.2
624.43219	5.3
641.44135	19.2
642.44257	1.9
655.35028	2.1
655.45569	33.1
656.45892	2.9
673.46613	4.4
687.48291	27.6
688.48547	3.6
884.46252	2.6
885.47418	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	885.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	0.6
70.44707	1.2
70.45052	0.6
79.65166	0.5
81.03448	1.4
89.03956	2.1
97.02933	0.9
99.04456	0.5
108.72879	0.5
109.02882	2.8
116.34095	0.5
117.03384	3.4
121.06643	0.5
127.03925	2.8
129.57388	0.5
145.02863	11.0
149.02188	0.7
149.06017	0.9
169.73862	0.5
177.05495	14.8
178.05830	0.6
199.03731	0.7
251.05429	0.9
311.07550	2.0
316.71902	0.6
343.07907	12.4
344.08072	0.8
371.09509	4.7
527.19452	0.6
537.13715	11.6
538.14178	0.8
549.58154	0.5
555.14960	0.8
825.21606	3.9
826.21881	0.8
885.24237	100.0
886.24597	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.242
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50436	0.5
70.44763	1.6
72.10932	0.5
72.35991	0.6
81.03426	2.0
86.19051	0.5
89.03948	1.3
98.22700	0.6
109.02924	2.4
117.03388	4.8
121.06507	0.5
127.03939	1.6
145.02843	10.8
147.04451	1.1
149.06061	1.2
171.52277	0.6
177.05484	15.0
184.07420	0.9
253.41621	0.6
256.09485	0.7
303.08716	0.6
311.07526	1.4
343.07907	14.7
343.12082	0.7
344.08704	0.8
371.09503	3.4
504.75644	0.6
537.13629	14.0
538.14160	1.2
555.14594	1.0
675.58936	0.7
767.22955	0.7
825.22284	2.6
885.24170	100.0
886.24469	14.0
901.96350	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	885.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.8
68.99860	5.1
69.03439	2.4
71.01348	0.6
71.05009	0.7
71.08645	1.2
73.02924	3.1
81.03416	1.3
81.07079	1.7
85.02904	5.0
85.03352	0.7
85.10198	1.2
91.03983	2.4
91.08312	0.6
91.83381	0.6
93.07066	0.9
95.08638	2.2
97.02901	5.0
99.04509	0.9
101.02400	1.9
103.03964	0.7
109.02861	1.2
109.10112	0.9
119.08601	0.6
122.39599	0.6
127.03980	0.7
135.11772	1.7
142.97874	0.6
145.10123	0.9
145.90071	0.6
163.11176	1.4
184.07355	1.0
185.04279	0.7
227.12952	1.6
243.08446	1.7
249.11061	2.6
305.13629	0.8
305.19553	0.7
313.27536	1.3
347.09799	2.2
365.10904	1.2
405.13879	4.8
419.35382	0.9
419.81839	0.7
437.89169	0.7
441.27490	0.7
467.18939	6.4
497.30853	5.2
566.90491	0.7
597.71014	0.7
629.24115	5.0
659.36200	6.0
723.43115	1.6
885.48138	100.0
886.48438	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	886.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86042	0.7
69.03426	2.2
69.21050	3.4
71.01360	0.8
71.04974	0.9
73.02899	1.0
76.29558	0.7
79.05500	1.3
81.03420	26.0
85.02895	2.1
89.03925	0.8
91.05489	1.5
91.47289	0.8
97.02907	2.8
99.04448	2.6
105.03389	0.7
107.04971	1.4
108.04453	0.7
109.02122	1.1
109.02874	21.2
109.03587	1.5
111.04440	1.2
113.02363	0.9
113.05967	0.9
117.03375	1.4
118.65737	0.7
119.05054	0.9
121.02887	1.0
125.02337	0.8
127.03921	32.0
128.04253	1.6
131.04892	1.4
133.02832	1.9
135.04402	2.3
137.02339	3.8
139.03894	1.1
141.01825	1.6
141.05466	7.9
145.02835	1.6
147.04390	6.7
149.02338	1.3
153.01855	1.7
155.09560	0.7
157.02847	1.1
159.04419	1.1
161.02333	2.0
163.03908	17.5
165.01839	7.6
165.05519	1.4
173.02342	2.6
175.00272	1.9
175.03918	7.0
177.01802	4.7
179.03374	3.9
181.01291	3.3
183.02878	1.0
185.02379	0.8
187.03915	0.9
189.01828	4.3
191.03394	40.5
192.00510	3.5
192.03767	2.0
193.01323	20.6
193.04909	3.2
195.02866	1.5
200.91571	0.8
201.01877	4.7
202.02390	0.7
203.03401	17.9
205.01355	7.1
205.04933	0.8
207.02853	6.3
209.00636	0.7
209.04509	1.2
211.02394	1.4
211.77370	0.6
213.01881	0.8
215.03423	0.9
217.01338	10.3
217.04810	0.8
218.02071	1.2
219.02893	57.6
220.03197	4.1
221.00821	100.0
221.04424	4.0
222.01115	4.5
223.02298	2.0
229.01347	2.7
231.02914	12.6
233.00792	8.1
233.04254	0.8
235.02379	13.0
236.02727	1.2
237.03995	2.4
239.01843	21.4
245.00798	8.5
247.02383	46.6
248.02766	2.6
249.03949	6.4
253.03410	6.3
257.00818	4.6
259.02420	11.1
260.02606	1.1
261.04044	1.9
263.01886	4.6
265.03442	9.9
273.00293	8.9
275.01865	62.8
276.02213	4.9
277.03442	14.9
279.05048	0.9
285.00311	1.2
287.01575	0.9
289.03403	1.9
291.01245	3.6
293.02924	18.4
294.03217	0.7
300.99738	4.0
302.00455	1.3
303.01361	16.7
304.01678	1.3
307.04388	2.9
311.03922	3.5
319.00830	24.4
320.01440	0.9
321.02423	16.2
325.05496	2.3
335.03906	4.4
337.01889	12.4
339.03482	28.3
340.03891	2.4
353.05042	15.0
354.05484	1.5
357.04483	5.6
361.01883	1.9
371.06055	0.9
419.06030	1.1
427.03226	0.8
429.04388	0.9
445.04147	5.8
447.05725	3.1
459.05188	1.4
463.05258	3.4
465.06586	1.2
483.07608	1.1
517.06494	0.8
545.05450	0.8
563.06415	1.3
737.05981	2.8
747.04224	0.8
755.06995	1.7
765.05756	4.7
779.06268	1.0
783.06726	25.7
784.07788	3.4
797.08551	4.8
801.07684	7.8
815.08936	2.8
819.08472	2.8
833.09576	2.1
851.12628	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	886.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86042	0.7
69.03426	2.2
69.21050	3.4
71.01360	0.8
71.04974	0.9
73.02899	1.0
76.29558	0.7
79.05500	1.3
81.03420	26.0
85.02895	2.1
89.03925	0.8
91.05489	1.5
91.47289	0.8
97.02907	2.8
99.04448	2.6
105.03389	0.7
107.04971	1.4
108.04453	0.7
109.02122	1.1
109.02874	21.2
109.03587	1.5
111.04440	1.2
113.02363	0.9
113.05967	0.9
117.03375	1.4
118.65737	0.7
119.05054	0.9
121.02887	1.0
125.02337	0.8
127.03921	32.0
128.04253	1.6
131.04892	1.4
133.02832	1.9
135.04402	2.3
137.02339	3.8
139.03894	1.1
141.01825	1.6
141.05466	7.9
145.02835	1.6
147.04390	6.7
149.02338	1.3
153.01855	1.7
155.09560	0.7
157.02847	1.1
159.04419	1.1
161.02333	2.0
163.03908	17.5
165.01839	7.6
165.05519	1.4
173.02342	2.6
175.00272	1.9
175.03918	7.0
177.01802	4.7
179.03374	3.9
181.01291	3.3
183.02878	1.0
185.02379	0.8
187.03915	0.9
189.01828	4.3
191.03394	40.5
192.00510	3.5
192.03767	2.0
193.01323	20.6
193.04909	3.2
195.02866	1.5
200.91571	0.8
201.01877	4.7
202.02390	0.7
203.03401	17.9
205.01355	7.1
205.04933	0.8
207.02853	6.3
209.00636	0.7
209.04509	1.2
211.02394	1.4
211.77370	0.6
213.01881	0.8
215.03423	0.9
217.01338	10.3
217.04810	0.8
218.02071	1.2
219.02893	57.6
220.03197	4.1
221.00821	100.0
221.04424	4.0
222.01115	4.5
223.02298	2.0
229.01347	2.7
231.02914	12.6
233.00792	8.1
233.04254	0.8
235.02379	13.0
236.02727	1.2
237.03995	2.4
239.01843	21.4
245.00798	8.5
247.02383	46.6
248.02766	2.6
249.03949	6.4
253.03410	6.3
257.00818	4.6
259.02420	11.1
260.02606	1.1
261.04044	1.9
263.01886	4.6
265.03442	9.9
273.00293	8.9
275.01865	62.8
276.02213	4.9
277.03442	14.9
279.05048	0.9
285.00311	1.2
287.01575	0.9
289.03403	1.9
291.01245	3.6
293.02924	18.4
294.03217	0.7
300.99738	4.0
302.00455	1.3
303.01361	16.7
304.01678	1.3
307.04388	2.9
311.03922	3.5
319.00830	24.4
320.01440	0.9
321.02423	16.2
325.05496	2.3
335.03906	4.4
337.01889	12.4
339.03482	28.3
340.03891	2.4
353.05042	15.0
354.05484	1.5
357.04483	5.6
361.01883	1.9
371.06055	0.9
419.06030	1.1
427.03226	0.8
429.04388	0.9
445.04147	5.8
447.05725	3.1
459.05188	1.4
463.05258	3.4
465.06586	1.2
483.07608	1.1
517.06494	0.8
545.05450	0.8
563.06415	1.3
737.05981	2.8
747.04224	0.8
755.06995	1.7
765.05756	4.7
779.06268	1.0
783.06726	25.7
784.07788	3.4
797.08551	4.8
801.07684	7.8
815.08936	2.8
819.08472	2.8
833.09576	2.1
851.12628	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	886.464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	1.2
67.05505	20.0
69.03432	4.0
69.07066	5.5
69.44768	0.7
69.64227	1.6
69.64624	3.1
71.04990	3.9
73.02927	1.3
79.05499	19.6
81.03421	85.2
81.07058	21.7
82.03778	1.0
83.04977	8.3
83.08628	20.8
85.02906	10.5
88.60463	0.8
91.03938	1.8
91.05485	26.2
93.07040	13.2
95.04974	27.8
95.05565	1.7
95.08592	8.6
97.02865	4.2
97.06533	2.4
97.10175	7.1
99.08105	0.9
105.07033	19.8
107.04937	9.1
107.08593	8.2
109.06538	5.4
109.10158	3.0
111.04451	2.1
111.08073	7.9
113.05984	1.9
114.77462	0.9
115.05458	1.8
115.83817	0.8
117.07009	3.5
119.08577	17.8
120.74480	0.9
121.06529	4.9
121.10130	8.6
123.04431	1.2
123.08060	2.3
123.11718	1.3
125.09622	4.1
129.07004	13.4
131.04907	1.5
131.08565	13.1
133.06488	2.9
133.10141	7.2
135.08044	2.1
135.11681	1.1
137.09642	2.0
141.07033	1.0
142.07814	2.5
143.08566	1.8
145.06516	5.6
145.10156	2.9
147.08070	4.0
147.11679	13.4
149.09599	6.1
154.32182	1.1
155.08603	1.0
157.06480	1.1
157.10136	15.9
159.08047	2.4
163.06030	1.1
163.11237	1.4
165.12784	2.8
169.10170	1.8
171.11728	1.6
175.11191	12.7
175.13647	0.9
185.13617	1.0
187.11247	1.7
189.11241	1.5
193.12241	33.3
193.14044	1.6
194.12584	1.9
195.11710	1.2
211.11201	1.3
211.13268	12.7
212.13615	1.3
223.13393	1.2
227.12590	1.4
230.17471	0.8
237.10603	0.9
237.12779	1.0
249.14906	2.6
255.13725	2.4
267.15921	100.0
268.16220	5.8
273.14813	5.3
285.16986	11.3
309.16812	1.5
318.45923	0.9
341.21039	2.5
349.21753	2.6
367.22668	10.2
368.23032	1.0
385.23703	9.4
386.24283	1.3
403.24826	3.7
405.24252	1.2
415.24695	1.1
423.25336	1.2
433.25833	17.1
434.26059	1.6
441.26553	7.8
442.26947	1.3
459.27420	83.0
460.27664	8.5
473.54535	1.0
477.28537	43.5
478.28809	5.7
501.28564	1.1
519.29175	2.8
543.29425	1.2
567.29614	1.1
585.30957	1.5
603.31732	1.6
684.71240	1.0
762.07257	1.1
905.37512	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	886.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.2
67.05508	53.6
68.05838	0.9
69.03429	5.3
69.07072	25.7
71.05009	14.6
79.05497	53.4
80.05837	1.2
81.03426	10.6
81.07061	100.0
82.07394	2.2
82.29983	0.8
83.04981	13.4
83.08620	19.7
85.02901	4.7
85.06551	3.0
91.05485	48.4
92.05824	1.1
93.07050	41.8
95.04978	20.1
95.08614	26.4
95.09129	0.5
95.09236	1.1
97.02907	2.3
97.06524	12.1
97.10175	16.3
99.04460	2.8
99.08106	4.5
103.05473	1.9
105.04504	1.2
105.07036	37.7
106.07384	1.6
107.04962	16.1
107.08604	30.6
109.06529	27.8
109.10170	16.7
111.04451	14.5
111.08090	7.0
113.06027	1.1
113.09663	2.1
115.05462	1.5
116.06209	1.2
117.07024	17.5
119.04990	1.1
119.08593	30.3
120.05708	1.0
120.08853	0.9
121.06503	10.1
121.10146	21.5
123.04385	1.0
123.07178	1.1
123.08075	20.6
123.11675	4.4
125.06030	1.4
125.09650	18.0
127.07580	1.1
128.06239	2.1
129.07005	10.3
130.07788	1.3
131.04895	1.2
131.08574	19.5
133.06514	3.5
133.10144	20.8
135.08073	9.7
135.11687	11.9
137.09621	8.8
139.07553	0.9
139.11195	1.6
141.06981	1.4
142.07758	1.0
143.08588	5.7
145.06502	2.5
145.10126	21.0
147.08063	7.8
147.11694	14.6
149.09615	13.4
149.13278	7.3
151.11192	3.9
153.09097	3.5
153.12761	3.2
155.08536	3.0
157.10132	7.1
158.35210	0.9
159.08047	2.3
159.11685	12.2
161.09581	8.8
161.13229	3.7
163.11180	18.9
163.14854	2.2
165.09161	2.6
165.12750	5.0
167.08589	1.0
167.10625	0.9
169.10124	2.1
171.08063	0.8
171.10181	2.7
171.11703	4.3
173.09644	2.7
173.11894	1.0
173.13277	3.1
175.11172	5.9
175.14722	1.0
177.09161	0.9
177.12776	4.5
181.10223	0.9
181.12230	4.5
183.11710	1.9
184.07329	1.2
185.13313	2.6
187.11234	1.5
187.14827	2.0
189.11227	10.0
189.12775	1.8
191.10736	3.7
191.14330	2.0
193.12277	5.5
195.11768	0.9
195.13861	1.1
197.13269	2.1
199.11243	2.1
199.13109	0.8
201.16339	0.8
202.32826	0.9
207.13718	1.7
209.11574	1.5
211.13252	1.8
213.16379	1.0
223.13377	4.5
227.12766	16.3
227.17981	1.2
228.13197	2.0
229.14522	1.3
229.19453	2.7
238.91023	0.9
239.17941	2.0
245.19023	2.9
247.20622	4.6
249.14757	2.0
253.14328	2.9
255.17451	3.8
257.19058	5.4
263.20078	1.5
267.15887	3.1
273.18515	29.6
274.18689	1.9
275.20078	52.5
276.20392	4.0
283.15399	2.3
289.21802	1.0
291.19550	51.8
292.19949	2.8
293.21295	5.1
307.22675	8.5
309.20642	4.3
329.21298	1.6
347.22186	15.8
348.22510	0.9
349.23770	33.2
350.24066	1.7
365.23260	43.4
366.23389	2.6
367.24924	2.9
372.47372	0.9
381.26389	27.0
382.26666	2.6
383.24271	25.1
384.24329	1.9
519.32697	1.8
529.36182	1.0
541.34985	2.5
547.37372	1.0
557.35468	2.0
559.36029	2.9
565.39191	1.8
583.40625	1.0
621.41394	9.7
622.41650	2.4
628.03577	0.9
639.42590	35.6
640.43250	5.4
653.44183	1.8
654.29315	1.0
657.43713	14.1
658.43787	1.9
671.45233	15.0
672.45380	2.3
675.44598	4.0
689.46259	16.1
690.45978	2.6
858.25751	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	886.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	5.0
67.05507	71.4
68.05849	2.0
69.03434	9.6
69.07069	32.6
71.05002	11.8
77.26713	1.2
77.99670	1.2
79.05495	66.0
80.05838	2.1
81.03430	22.1
81.07057	100.0
82.07424	1.9
82.27338	1.3
83.04990	14.6
83.08624	34.7
85.02905	5.9
85.06551	3.4
91.05486	53.0
93.07050	48.7
94.07369	1.5
95.04981	32.2
95.08611	35.0
97.02897	5.1
97.06539	12.9
97.10172	22.5
99.08091	3.8
103.05509	1.9
105.07035	46.4
107.04966	19.8
107.08595	36.8
109.06528	19.5
109.10163	27.9
111.04441	9.5
111.08080	10.4
115.05430	2.6
117.07012	19.6
119.04976	2.3
119.08585	40.8
119.61042	1.3
121.06519	13.3
121.10142	18.3
123.04501	1.7
123.08054	18.6
123.11697	4.1
125.09626	21.4
128.06265	2.0
129.07018	11.0
130.07793	2.6
131.08571	22.3
133.06517	5.7
133.10130	27.6
135.08066	10.5
135.11694	13.7
137.09598	10.0
139.07526	1.7
141.06969	2.9
142.07774	1.8
143.08549	7.3
145.06535	2.3
145.10126	22.9
147.08049	11.7
147.11687	17.2
149.09637	15.3
149.13263	5.9
151.11177	4.5
153.09149	3.7
153.12772	3.4
155.08571	3.8
155.10677	1.8
157.10097	8.7
159.08047	4.0
159.11711	13.5
161.09634	10.7
161.13284	5.1
163.11197	21.9
163.14923	1.4
165.09154	3.3
165.12793	3.7
169.10121	4.8
171.11702	5.4
173.09616	5.8
173.11795	3.0
173.13261	2.3
175.11198	9.5
175.14821	2.2
177.12733	3.8
179.14409	1.4
181.12254	2.6
183.11653	2.1
184.07480	1.8
185.13309	2.7
187.11105	3.3
189.11243	12.0
189.12727	2.6
191.10645	3.9
193.12238	8.4
195.11824	1.7
197.13293	2.9
201.12784	1.8
207.13771	1.7
209.11699	1.8
211.13264	3.6
213.16347	1.5
223.13219	9.7
227.12767	14.9
229.14313	8.7
239.17998	1.8
245.18997	3.3
247.20584	4.0
249.14935	2.8
253.14302	3.2
255.17488	3.4
257.18958	8.3
267.15909	8.1
273.18494	22.9
275.20071	43.3
276.20465	3.2
283.15460	2.5
285.16888	3.6
291.19543	63.2
292.19836	1.8
293.21143	6.8
305.20886	1.8
309.20615	4.1
331.22702	2.7
347.22104	12.0
349.23727	35.2
350.24020	2.2
365.23233	35.7
367.24811	8.4
379.24542	2.2
381.26486	6.5
383.24423	6.6
397.25790	5.0
442.66287	1.6
503.33582	1.8
519.33160	22.6
520.33521	2.8
541.35205	13.1
547.37476	1.7
559.36359	28.4
560.36633	4.5
573.37714	2.2
577.37097	5.4
591.39301	2.7
621.41266	6.2
639.42560	31.7
640.42859	3.6
653.42047	1.7
657.43634	11.5
671.45184	7.8
689.46100	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	886.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.1
67.05509	73.9
69.03425	12.1
69.07071	43.4
69.40530	8.8
71.05006	11.9
79.05497	50.7
81.03425	15.5
81.07057	61.7
83.04994	12.0
83.08624	15.4
85.02915	4.7
85.06533	4.1
88.91161	1.8
91.05484	46.7
92.05810	1.6
93.07051	51.0
95.04970	18.8
95.08611	28.1
97.02891	10.6
97.06532	16.9
97.10180	19.4
99.04482	1.8
99.62589	1.7
105.07036	34.2
107.04965	11.7
107.08599	32.8
109.02876	2.5
109.06503	10.8
109.10171	28.6
111.04460	3.5
111.08080	8.7
115.05441	2.3
117.07037	16.9
119.04952	2.3
119.08591	26.3
121.06501	10.5
121.10148	12.6
123.08039	9.0
123.11671	2.8
125.09628	13.4
127.03928	2.1
128.06238	2.1
129.07007	7.6
130.07825	2.5
131.08580	21.6
133.06514	4.2
133.10135	18.3
135.08093	8.5
135.11681	7.2
137.09608	6.0
141.06953	4.2
143.08557	6.5
145.06476	2.8
145.10097	16.2
147.08044	8.8
147.11687	11.0
149.09621	7.2
149.13261	6.4
151.11211	3.8
153.09114	3.2
155.10663	1.8
157.10155	7.7
157.44632	1.6
159.08081	2.1
159.11674	11.4
161.09605	6.0
161.13292	3.8
163.11205	8.8
169.10193	3.1
171.11674	4.8
173.11732	5.1
173.13141	3.1
175.11224	3.8
177.12764	4.4
185.13251	3.4
187.11182	2.3
189.11217	8.6
189.12761	2.5
193.12178	3.6
195.13863	3.3
223.13254	19.7
223.15010	1.8
227.12793	14.7
229.14305	15.2
229.19514	2.2
249.14940	5.3
255.17383	2.4
257.18936	5.8
267.15979	3.6
269.17538	5.5
273.18497	17.8
275.20053	23.5
289.17874	1.7
291.19547	100.0
292.19797	5.5
293.20993	3.2
309.20773	2.1
347.22144	5.9
349.23752	14.1
365.23260	38.9
366.23502	3.6
367.24918	3.3
413.21704	2.6
439.27158	2.9
461.29037	2.6
519.33191	38.5
520.33276	3.4
533.04205	2.0
541.35419	10.4
559.36298	91.0
560.36664	12.1
609.66168	1.8
621.41119	2.5
639.42419	26.7
640.42792	1.9
671.43848	7.1
700.36011	2.1
703.39777	6.5
907.67554	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	887.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
73.59390	1.2
88.52162	1.3
153.40019	1.3
190.61084	1.5
214.25381	1.4
229.39998	1.7
249.06166	1.6
314.79410	1.3
585.57605	1.6
855.06073	3.7
887.09045	100.0
888.09558	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	887.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05632	0.5
67.05502	5.8
69.03440	4.4
69.07076	2.1
71.01397	0.5
71.05013	1.4
71.08654	0.8
73.02911	4.2
74.68587	0.6
79.05502	4.2
81.03413	3.2
81.07063	7.3
83.04980	0.9
83.08646	2.2
85.02918	6.7
85.10187	1.0
85.24174	0.5
91.03953	4.6
91.05491	3.2
93.07037	5.4
95.04954	1.4
95.08612	4.6
97.02889	5.6
97.10204	0.7
99.04485	0.9
101.02395	1.6
105.07064	2.2
107.08587	2.8
109.02892	0.7
109.10191	1.6
111.08118	0.7
115.03967	0.9
119.08591	1.1
121.10175	2.5
126.14293	0.6
127.03976	2.2
129.07092	0.7
131.08658	0.6
133.10184	1.5
135.11716	1.2
145.05058	1.1
145.10159	0.7
147.11771	1.9
149.13333	1.7
153.90027	0.6
156.77873	0.6
156.87827	0.5
157.10207	0.5
159.11768	1.0
165.12830	0.6
170.43939	0.5
185.04276	0.8
191.86700	0.5
193.12361	0.6
195.13889	0.5
203.05313	0.8
243.08578	1.8
251.12566	0.7
261.22278	0.7
269.17465	5.5
335.25903	5.5
347.09662	2.1
365.10553	0.8
405.13834	4.9
436.58755	0.7
469.20520	7.7
470.21387	0.6
497.31119	3.2
527.02698	0.6
529.38812	10.7
631.25720	6.2
632.26367	0.8
659.36078	4.5
725.44440	1.2
887.49707	100.0
888.50024	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	888.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	1.4
67.05506	1.9
69.03400	0.7
69.73022	3.3
74.40977	0.7
79.05488	1.6
81.03426	7.8
81.07051	1.2
82.03741	0.8
82.15217	0.7
83.04981	1.0
83.08609	1.5
85.02905	1.2
89.03916	6.2
91.05476	2.7
93.07019	1.4
95.04982	2.4
95.08623	1.1
105.07027	1.7
107.04932	1.5
109.02888	3.3
117.03390	15.1
119.04963	0.9
121.06499	1.5
127.03899	3.0
131.08659	0.8
133.06592	0.6
133.10083	0.7
134.03580	1.4
135.04416	1.4
135.26584	0.6
137.46527	0.8
145.02849	48.7
146.03139	1.0
147.04413	1.0
149.05960	5.1
167.07056	1.4
177.05473	100.0
178.05835	2.8
193.12244	1.5
259.09589	0.8
267.15909	4.5
268.16342	2.2
285.16855	1.0
303.08661	13.1
367.22699	0.8
388.55197	0.7
434.26062	1.0
459.27393	1.9
460.27692	2.4
461.28265	1.6
477.28650	1.1
478.28867	2.2
515.15460	9.3
595.21667	1.0
806.40961	0.9
888.31250	1.1
889.28625	0.9
892.56433	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	888.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.1
67.05508	72.8
68.05851	1.4
69.03432	9.7
69.07073	35.5
71.05003	5.7
73.02888	1.4
79.05495	58.3
81.03431	13.7
81.07059	74.7
82.07403	2.0
83.04984	8.4
83.08615	14.8
85.02907	8.0
85.06540	4.1
87.04472	1.8
91.05485	48.5
93.07045	46.1
95.01355	1.5
95.04973	19.6
95.08614	25.8
97.02903	9.9
97.06526	8.1
97.10186	13.8
98.23473	2.2
103.05455	2.7
105.04536	1.9
105.07034	35.0
106.07343	1.5
107.04970	15.4
107.08596	29.5
107.09291	2.3
109.06532	11.6
109.10159	26.9
111.04446	4.0
111.08085	5.8
115.05416	2.5
117.05735	1.3
117.07029	18.9
119.04971	1.6
119.08582	26.0
119.09441	1.6
121.06505	11.4
121.10146	13.5
123.04406	1.6
123.08090	11.5
123.11731	3.9
125.09617	14.6
127.03984	1.6
128.06277	2.7
129.05493	2.1
129.07001	8.5
131.08577	18.2
133.06494	6.4
133.10123	15.3
135.08058	7.5
135.11676	9.1
136.59256	1.3
137.09666	6.1
141.06990	2.9
142.07813	1.4
143.08556	8.9
145.06465	2.3
145.10117	18.0
147.08066	9.5
147.11690	9.4
149.09663	9.8
149.13281	5.3
151.11186	3.4
153.09145	2.4
155.08554	3.3
155.10756	1.5
157.10149	9.0
159.08101	1.8
159.11688	8.4
161.09581	8.9
161.13315	2.9
163.11197	11.5
165.09131	1.4
165.12772	1.9
169.10124	1.9
171.11731	4.7
173.09625	2.9
173.11751	4.5
173.13214	2.7
175.11208	5.2
177.12720	3.3
181.10115	1.8
183.11711	1.8
184.07358	2.8
185.13307	2.3
187.11151	2.5
189.11267	4.7
191.10634	2.3
193.12331	2.9
195.11737	1.8
195.13766	2.8
199.11189	2.0
205.12201	2.5
209.11739	1.8
211.13173	2.0
223.13307	13.1
227.12794	9.0
227.17986	2.2
229.14359	11.6
237.16606	2.1
245.18973	3.0
247.20543	2.9
249.14876	2.4
255.17790	2.8
257.19086	2.2
267.15964	4.1
269.17526	10.6
273.18518	28.8
274.18808	1.7
275.20053	18.4
283.15308	1.3
291.19543	100.0
292.19858	5.5
293.21057	2.6
301.16434	1.8
309.16141	4.4
335.25848	5.8
347.22110	10.1
349.23804	8.5
365.23221	40.8
367.24744	5.0
383.19791	14.1
399.23871	4.7
401.20901	16.1
402.21329	1.8
423.27206	2.8
503.33676	3.8
521.34528	2.6
529.38757	5.3
593.37128	6.5
599.51611	1.4
637.41083	7.1
638.42206	1.9
655.41846	3.6
673.38562	23.5
674.38275	2.7
691.39545	21.4
692.39105	2.7
888.47614	3.9
889.49597	8.2
896.77081	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	888.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.8
67.05508	77.6
68.05824	1.7
69.03429	6.9
69.07068	23.5
71.04984	7.7
71.28106	2.2
73.02914	3.8
77.03912	1.3
79.05495	57.3
81.03417	12.3
81.07059	100.0
82.07369	1.8
83.04993	10.5
83.08627	19.7
85.02911	7.5
85.06554	5.2
86.09698	2.3
87.04480	1.6
91.03963	2.6
91.05482	70.7
93.07047	60.6
93.07635	3.0
94.07352	1.5
95.04968	18.1
95.08614	37.8
97.02882	6.3
97.06546	9.6
97.10159	10.2
99.04526	1.5
99.08082	1.8
103.05477	3.7
105.07033	56.3
105.62466	1.3
106.07377	1.8
107.04964	18.0
107.08597	46.9
109.02866	1.5
109.06524	16.4
109.10159	48.4
110.10513	1.5
111.04467	3.5
111.08097	8.5
115.05470	3.5
116.06237	2.4
117.07016	20.1
119.08583	33.4
120.08968	1.3
121.06509	15.3
121.10137	22.7
123.08055	11.9
123.11695	10.1
125.09636	8.3
128.06239	4.0
129.01080	1.8
129.05525	2.1
129.07004	9.9
131.08571	25.8
133.06496	6.4
133.10141	50.5
134.10384	2.1
135.08032	10.5
135.11708	12.5
137.05978	1.9
137.09619	5.7
139.07582	1.7
141.07036	1.7
142.07832	1.8
143.08554	8.7
145.05014	1.2
145.06543	4.2
145.10126	21.9
147.08083	8.0
147.11714	11.3
149.09631	16.9
149.13278	6.0
151.11182	22.0
153.09042	1.8
153.12740	2.0
155.08568	3.3
157.10164	6.1
159.08075	2.7
159.11728	10.5
161.09647	11.5
161.13286	3.7
163.07553	1.6
163.11179	17.0
163.14894	1.3
165.09064	1.7
165.12822	2.1
169.10161	4.0
169.12279	4.0
171.11726	5.9
173.09641	3.6
173.11772	4.4
173.13304	5.7
175.11208	5.7
177.09201	1.8
177.12741	4.2
181.10104	1.8
183.11765	1.9
184.07274	2.2
184.62215	1.4
185.09633	1.6
185.13228	1.6
187.11215	2.2
189.11282	2.3
189.12769	1.6
191.10658	2.7
193.12437	1.8
195.11560	1.9
195.13821	2.2
197.07372	3.6
197.13289	1.5
199.11136	1.5
199.13193	1.8
199.14883	1.9
207.13690	1.4
213.12746	2.0
213.16476	1.6
223.13269	2.4
227.12804	3.3
227.18153	1.9
229.14287	12.2
239.17929	2.4
245.19046	4.7
253.14346	66.1
254.14633	2.7
255.17532	6.1
257.19125	3.3
261.22241	2.3
263.19986	3.3
267.15973	2.4
269.17477	15.2
271.15292	1.9
273.18488	34.9
274.19144	1.8
275.20087	23.4
276.20425	2.7
283.15479	1.8
286.17972	1.9
289.18039	2.5
291.19547	38.1
292.20093	1.8
293.21082	4.1
301.16516	1.5
309.16162	5.2
317.26529	1.5
327.17249	1.8
335.25827	19.0
347.22183	9.9
349.23743	15.1
350.23907	1.6
363.21304	1.7
365.23245	19.6
367.24847	7.3
383.19815	15.4
399.19080	2.4
399.23856	5.3
401.20874	15.9
503.33688	5.0
521.34808	1.4
529.38928	25.0
530.39197	3.1
543.33252	5.4
579.30750	13.4
597.31458	5.9
619.40302	2.0
637.40607	5.2
673.38312	14.4
674.39105	1.8
691.39508	17.7
692.40039	2.0
888.49670	7.9
889.48907	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	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.7
67.05508	100.0
69.03421	9.5
69.07071	42.6
71.01354	3.8
71.04999	12.2
73.02891	4.3
77.21296	2.0
79.05495	90.6
81.03416	19.3
81.07060	97.5
83.04984	23.9
83.08148	3.9
83.08623	58.5
85.02896	6.3
85.06572	4.5
86.09746	2.1
91.05484	72.0
92.05828	2.4
93.07048	76.4
95.04977	95.1
95.08611	48.2
97.02873	11.6
97.06537	24.7
97.10175	25.8
98.23357	5.6
99.04456	6.9
99.08093	5.4
101.06013	2.1
105.04462	2.5
105.07032	60.0
107.04963	28.7
107.08601	59.6
109.06525	24.0
109.10161	44.6
111.04480	11.8
111.08092	15.7
113.06054	2.8
115.05437	6.4
115.07588	2.2
116.04725	5.4
117.07030	24.8
119.07793	2.8
119.08592	50.6
121.02872	2.3
121.06495	17.7
121.10147	32.5
123.04411	5.2
123.08095	15.6
123.11697	5.5
125.09640	30.8
128.06210	3.9
129.05496	18.0
129.07025	11.1
130.07779	2.3
131.08580	34.7
133.06480	5.6
133.10136	30.8
135.08069	20.6
135.11694	19.7
136.71523	2.0
137.05969	3.1
137.09599	20.0
139.07564	2.7
139.11176	4.4
141.06999	4.9
142.22247	2.3
143.07039	3.3
143.08537	7.6
143.10670	2.0
145.06487	7.5
145.10129	35.4
147.08038	13.7
147.11685	21.0
149.00580	2.1
149.09619	40.4
149.13269	7.2
151.11218	4.8
153.09102	8.1
153.12756	3.9
155.08557	7.3
157.08620	7.9
157.10129	11.0
159.11697	18.8
161.09621	7.9
161.13240	5.3
163.11174	43.8
165.09062	4.1
165.12779	5.9
169.10152	7.7
171.10204	3.7
171.11667	6.8
173.09621	5.9
173.11731	8.6
173.13295	6.3
175.11194	9.5
177.12726	9.4
179.10625	2.8
181.12247	5.5
183.11722	5.0
183.13986	2.2
185.13242	2.2
187.11162	5.5
189.11212	12.5
189.12752	3.2
191.10712	6.8
193.12323	18.2
197.13312	2.9
199.13217	2.3
203.14311	2.1
205.12256	9.4
209.11708	2.7
219.14027	2.2
221.11713	4.1
223.13283	41.8
227.12816	10.1
229.14343	15.9
229.19594	5.4
239.17867	5.2
245.19130	3.1
247.20583	4.3
257.19037	15.4
269.17505	6.8
271.17001	3.1
273.18576	15.3
275.20065	84.6
276.20505	3.7
289.17990	10.8
289.20996	2.1
291.19589	16.1
293.21146	38.5
294.21362	3.2
295.15302	2.4
307.18997	3.7
313.16486	3.2
331.22653	3.2
347.22235	11.1
349.23688	41.0
350.24033	3.7
363.21683	5.8
364.21576	2.2
365.23291	16.8
367.24817	43.3
381.22714	8.6
397.04678	2.2
399.23782	31.4
411.29401	2.1
413.21661	3.8
463.30273	2.6
486.43878	2.1
503.33701	8.0
521.34808	11.2
535.34375	2.3
543.36676	13.8
561.37909	22.8
562.37994	2.5
621.40881	2.4
623.42664	5.7
639.42584	13.3
641.43823	6.5
655.41675	4.7
657.43622	10.8
673.43060	15.1
691.44171	30.3
692.43921	2.5
705.41302	2.8
793.32849	2.2
888.58142	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	888.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.1
67.05508	100.0
68.05840	1.8
69.03418	6.3
69.07073	26.3
71.04994	8.9
73.02927	3.4
79.05495	55.9
80.05841	2.0
81.03422	15.9
81.07059	70.9
82.07410	1.9
83.04988	13.8
83.08617	34.2
84.09009	1.2
85.02911	12.5
85.06554	4.2
87.04481	1.9
90.06849	1.4
91.03975	1.9
91.05482	49.2
93.07046	48.3
94.07377	1.6
95.04365	3.3
95.04971	53.5
95.08617	32.0
96.08909	1.5
97.02908	5.1
97.06538	11.0
97.10175	18.8
97.47040	1.4
98.97167	1.2
99.04462	3.8
99.08112	2.3
103.03955	1.9
103.05478	1.9
103.72961	1.1
105.07034	32.8
106.62987	1.4
107.04958	16.7
107.08598	32.6
107.09291	2.3
109.02823	1.4
109.06511	12.4
109.10161	59.4
111.00890	1.3
111.04465	7.4
111.08089	10.7
115.93006	1.2
117.07008	18.1
119.08583	31.4
120.08949	2.4
121.06499	7.3
121.10144	18.7
123.08089	7.8
123.11716	3.9
125.00117	1.3
125.09641	17.1
126.10007	1.8
127.03921	1.8
128.06226	2.4
129.05505	3.7
129.07028	6.4
131.08569	17.8
133.06482	2.7
133.10132	19.3
133.11053	2.1
134.10469	1.6
135.08058	7.6
135.11693	12.6
136.12115	1.5
137.09604	7.9
139.07538	1.3
139.11266	3.5
143.07133	1.5
143.08632	2.6
143.10629	1.8
145.06529	1.4
145.10133	25.0
147.08061	3.9
147.11714	13.0
148.12090	1.4
149.09624	24.9
149.13229	3.8
150.10027	1.4
151.11171	3.9
153.12733	3.9
155.08527	2.3
155.10686	4.0
157.08693	2.5
157.10150	4.4
159.11710	12.1
161.09630	2.8
161.13307	4.5
163.11192	28.1
165.12766	4.9
167.10674	2.0
169.10138	3.7
171.11728	3.0
173.09631	3.4
173.11772	15.6
173.13200	2.0
175.11148	3.2
177.12766	4.4
181.12236	3.4
183.11710	2.0
184.07301	3.0
185.11766	1.5
187.11223	3.3
189.11232	10.9
189.12743	2.0
191.10692	3.8
191.14326	1.6
193.12288	4.4
193.57234	1.4
195.13751	1.6
197.13316	1.8
199.13303	6.8
203.14514	1.2
205.12233	4.5
209.11765	3.7
211.13303	2.9
223.13292	31.6
224.13695	1.4
227.12802	7.4
229.14351	43.2
229.19501	3.3
233.15544	1.6
239.17966	2.9
247.20541	3.0
257.19077	7.5
267.15842	3.0
269.17474	2.7
273.18472	2.6
275.20074	59.3
276.20477	4.2
283.15491	5.1
291.19687	7.6
293.21078	27.5
294.21478	1.4
301.16418	9.4
311.21594	1.6
335.25586	3.1
349.23785	19.1
350.24359	3.1
365.23169	4.5
366.23096	1.6
367.24765	29.5
368.24860	1.9
399.18903	2.3
399.23767	23.1
401.21106	1.8
413.21649	1.7
503.33673	11.1
521.34723	24.7
522.34894	1.9
529.38483	1.5
575.35797	3.3
593.36914	7.1
641.43347	2.0
673.42462	5.0
691.44336	19.7
692.44214	2.6
888.48132	5.4
889.48535	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	888.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.9
67.05508	70.2
69.03428	5.6
69.07069	34.0
70.11918	1.7
71.01318	1.7
71.04999	7.4
73.02919	2.5
79.05495	48.0
81.03422	11.8
81.07059	100.0
82.07388	1.6
83.04982	9.2
83.08614	16.1
85.02879	1.9
85.06526	2.9
91.04903	2.6
91.05482	47.0
93.07050	46.8
95.04970	17.8
95.08610	30.3
97.02888	4.4
97.06528	16.8
97.10201	7.3
98.22638	2.9
99.08102	3.3
105.04488	1.7
105.07036	37.4
107.04957	13.6
107.08595	30.5
108.08968	1.4
109.02890	2.8
109.06522	22.7
109.10157	25.5
109.10875	1.0
111.04443	2.1
111.08079	7.4
115.05447	3.1
116.04700	2.7
117.07026	12.5
119.08585	35.1
121.06509	7.5
121.10143	15.1
123.04450	5.0
123.08062	8.1
123.11711	5.9
125.09628	8.8
129.05469	7.8
129.06998	6.9
131.08565	17.8
133.06505	2.8
133.10133	19.9
135.08067	10.5
135.11691	12.5
137.09608	9.5
141.06967	2.1
143.07004	1.9
143.08609	7.0
145.06477	3.2
145.10109	14.0
147.08049	4.4
147.11685	20.2
149.09639	11.8
149.13260	8.3
151.07513	1.9
151.11150	3.6
153.09061	2.7
155.08543	3.3
157.08609	5.9
157.10062	7.3
159.08102	2.0
159.10489	2.4
159.11664	13.1
161.09608	4.5
161.13261	4.5
163.11209	8.6
165.09122	2.3
165.12738	3.9
166.41028	1.5
169.10187	4.2
171.10234	3.1
171.11693	3.5
173.09541	2.0
173.11732	3.8
173.13266	5.8
175.11217	5.7
177.12720	4.4
179.14258	1.6
181.12253	2.5
183.11653	2.2
184.07291	1.7
187.11188	2.9
189.11197	3.7
191.10623	1.9
191.14229	2.4
193.12230	11.8
195.11868	1.7
195.13736	2.1
212.28294	1.4
219.13805	1.4
221.11774	2.1
223.13104	1.9
227.12772	5.5
229.14365	12.1
229.19482	2.2
233.15483	1.5
239.18051	2.5
247.20528	3.8
255.16026	2.7
257.19028	6.2
267.15854	3.5
269.17502	10.6
273.18433	7.7
275.20065	57.5
275.23035	3.2
276.20569	2.7
289.18011	9.3
290.42346	1.4
291.19537	8.2
293.21008	9.8
307.19073	4.1
347.22119	4.5
349.23743	31.6
350.24023	2.5
363.21652	2.9
365.23233	9.4
367.24777	25.5
381.22650	3.8
391.56064	1.4
399.23752	30.3
400.24405	2.4
409.25903	2.9
422.28699	1.4
423.27536	9.5
449.28867	3.6
463.30557	4.0
469.33334	2.1
503.33575	8.1
521.34308	4.2
525.35541	1.7
529.35004	2.4
543.36865	20.6
544.37262	3.4
561.37793	10.5
575.39172	3.9
607.35504	2.1
621.42303	1.6
623.42926	5.5
629.55157	1.5
637.40881	1.9
639.42334	7.1
640.42706	2.3
641.43994	5.0
655.42297	3.2
657.43396	5.8
673.43036	10.7
691.44128	18.2
692.44208	2.1
705.08136	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	888.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32580	0.5
63.78659	0.5
65.03942	2.3
67.05505	65.7
68.05818	0.7
69.03432	3.2
69.07068	19.5
71.04987	4.8
71.08627	0.7
73.02920	5.1
79.05493	48.2
80.05843	0.8
81.03422	4.4
81.07058	79.7
82.07392	1.7
83.04987	4.3
83.08620	14.2
85.02908	16.1
85.06553	4.2
88.04007	0.6
90.98544	0.5
91.03955	9.1
91.05480	28.7
92.05783	0.7
93.07045	56.4
95.04971	5.6
95.08607	36.4
96.08904	1.0
97.02885	8.7
97.06535	7.5
97.10168	3.0
99.04465	1.0
99.08119	1.7
105.04536	0.7
105.07030	15.7
106.07343	0.7
107.05026	0.8
107.08593	33.0
108.08943	1.0
109.02847	0.9
109.06527	1.8
109.10161	15.1
109.10914	1.0
111.08096	4.6
115.05388	0.7
117.07033	10.0
119.08581	10.3
121.06516	2.3
121.10146	19.7
123.08080	0.8
123.11705	6.1
125.09635	0.9
127.03903	4.5
129.05544	0.6
129.06984	1.0
131.08577	14.1
133.10136	16.5
134.10458	0.7
135.08044	1.8
135.11699	15.2
137.09598	1.0
137.13255	0.8
139.11218	0.8
143.08533	1.3
145.04959	4.1
145.10133	5.8
147.11694	6.0
149.09648	1.5
149.13254	15.8
151.11220	2.2
157.10146	1.6
159.11699	12.0
159.13002	1.0
160.12108	0.6
161.13217	2.9
163.06009	4.0
163.11195	1.0
163.14827	1.9
165.12852	0.6
169.10139	0.7
171.11725	1.3
173.13261	5.3
175.14851	0.9
177.12747	3.7
177.16507	0.7
179.14308	1.2
187.14838	2.2
191.14206	0.8
195.13791	11.7
195.15421	1.0
199.14920	0.7
201.16324	0.7
205.52740	0.6
213.14937	2.2
214.18983	0.6
229.14294	1.2
243.21085	3.6
259.20715	0.7
261.22128	10.4
262.22586	0.8
267.15994	2.2
269.17468	75.0
270.17798	4.4
275.20224	1.4
291.19421	0.7
317.24625	3.5
335.25797	72.7
336.26172	5.2
419.33344	1.3
437.34192	3.2
455.35245	1.8
473.35910	0.9
511.38156	1.7
529.38892	100.0
530.39313	12.6
547.39838	2.9
673.43439	0.9
888.49744	3.2
889.46832	7.0
922.57617	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	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	5.0
67.05505	35.3
69.03429	7.0
69.07084	19.3
70.75479	3.8
71.05006	4.1
71.29234	3.8
79.05494	52.1
81.03414	12.5
81.07062	84.2
83.04971	12.6
83.08615	17.5
85.02917	7.9
91.05482	35.0
93.07064	39.6
95.04987	17.9
95.08600	17.0
97.06524	8.7
97.10182	28.8
105.07016	29.7
107.04970	17.4
107.08593	19.9
109.06505	12.9
109.10168	12.7
111.04436	16.3
111.08083	10.3
117.07008	14.5
119.08585	36.6
121.06512	8.1
121.10128	18.8
123.04414	4.5
123.08064	24.1
125.09666	22.7
129.06998	11.5
131.08565	16.9
133.06512	8.7
133.10124	10.7
135.08069	10.6
135.11671	13.4
137.09604	6.1
143.08591	9.0
145.06459	4.7
145.10135	22.0
147.08058	10.3
147.11710	8.9
149.09593	9.2
153.09090	5.2
153.12749	7.8
156.20987	4.1
157.10074	7.2
159.11716	7.9
161.09634	12.3
163.11180	22.2
165.09160	4.9
171.11673	6.8
175.11214	8.9
181.12209	6.6
185.13255	4.8
189.11249	26.9
191.10689	5.2
193.12303	4.4
227.12775	24.0
239.47490	4.3
245.13855	6.5
273.18518	60.1
283.15506	4.8
291.19553	100.0
292.19879	7.2
309.20554	9.2
347.22220	17.8
365.23257	53.1
366.23233	4.5
383.24332	31.0
548.06354	4.3
637.40546	15.3
655.42303	28.6
673.42932	17.0
691.43848	9.3
889.43488	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	888.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43418	0.8
65.03933	5.6
67.05506	82.1
68.05819	2.1
69.03435	3.6
69.05064	3.4
69.05494	2.8
69.07070	27.4
71.01369	1.4
71.04997	5.8
71.08641	1.2
73.02924	1.9
79.05493	50.2
81.03418	10.8
81.07056	100.0
82.07390	1.9
83.04979	10.5
83.08618	19.3
84.14326	0.8
85.02917	8.6
85.06536	4.3
87.04484	3.4
91.03934	1.4
91.05482	42.1
92.05791	0.8
93.07045	37.2
95.04965	13.8
95.08605	33.5
97.02879	5.3
97.06533	11.6
97.10162	13.3
99.04453	1.5
99.08106	3.3
101.06000	0.9
103.03982	0.9
103.05463	1.6
105.04553	1.9
105.07030	38.1
107.04293	1.3
107.04963	12.7
107.08594	26.2
109.06518	22.6
109.10155	51.2
110.10491	1.8
111.04446	1.4
111.08080	7.3
113.05943	1.2
115.05469	2.1
117.07014	10.3
119.08580	30.7
121.06527	7.0
121.10142	18.2
123.04403	1.0
123.08064	11.3
123.11725	8.9
125.09633	10.7
127.03925	1.2
127.07529	0.8
127.11185	0.8
128.06239	1.2
129.05479	3.0
129.07024	4.1
131.08572	16.8
133.06480	1.7
133.10126	17.5
133.11063	1.5
135.08060	6.7
135.11708	11.5
136.12013	1.0
137.09593	6.4
137.13255	1.1
139.11272	1.4
141.07010	1.1
142.07776	1.2
143.08554	3.5
143.10657	1.7
145.06468	1.7
145.10126	15.9
146.10547	1.0
147.08052	3.9
147.11685	21.0
149.09599	9.6
149.13258	7.4
151.11208	3.8
153.09277	1.1
153.12747	2.0
155.08580	1.7
155.10704	3.1
157.08952	1.1
157.10130	6.2
159.08049	1.4
159.11696	9.0
161.09610	2.7
161.13284	4.1
163.11180	11.1
163.14871	1.6
165.12743	7.4
169.10136	2.4
171.11697	2.7
173.09616	2.3
173.11745	12.4
173.13281	5.5
175.11194	3.8
175.14845	1.8
177.12749	3.3
179.14297	1.5
180.40999	0.9
181.12193	1.3
183.11726	2.6
184.07347	1.8
185.13252	1.5
187.11205	1.6
187.14859	2.5
189.11234	1.8
189.12758	1.8
191.10696	2.2
191.14372	0.9
193.12270	2.9
197.13216	1.5
199.13368	4.8
201.12827	1.5
205.12419	0.9
207.13831	1.3
209.11699	3.2
210.81219	0.9
211.13231	1.5
215.14340	1.2
215.18040	1.0
217.14241	1.0
219.13936	1.1
219.17409	0.8
227.12808	4.7
229.14352	37.9
229.19577	3.2
230.14565	1.7
239.18056	2.3
247.20566	4.9
257.19067	6.8
267.15866	5.9
269.17563	3.4
273.18555	1.4
275.20053	61.7
276.17764	0.9
276.20276	4.5
283.15463	2.7
290.56586	0.9
291.19565	3.2
293.21124	14.6
301.16443	9.0
302.16782	0.8
309.16589	0.8
315.71735	0.8
331.22638	1.0
335.25900	4.2
349.23712	25.7
350.23987	2.6
365.23447	1.2
367.24762	28.9
368.25204	2.3
377.23346	1.1
383.02698	0.9
399.23727	17.0
400.24387	1.2
491.33807	1.1
503.33655	17.3
504.34094	1.7
521.34686	13.0
529.38843	4.9
541.35474	1.1
557.34650	1.5
575.36127	5.3
576.37396	0.8
593.37170	4.3
637.40790	1.2
673.43103	12.8
674.43103	1.6
691.44208	16.4
692.45270	2.0
888.48041	2.5
889.49445	4.9
894.28467	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	888.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.5
67.05509	71.6
69.03442	1.8
69.07074	21.5
71.05007	3.5
71.31216	2.0
73.02930	4.4
73.32334	1.4
77.60362	1.4
79.05497	49.8
81.03438	3.4
81.07058	89.1
83.04999	5.4
83.08622	15.1
85.02912	11.2
85.06543	4.0
91.03975	8.0
91.05486	28.4
93.07044	60.2
95.00744	1.2
95.04981	4.3
95.08613	39.8
96.01488	1.3
97.02907	5.6
97.06543	12.1
97.10162	2.5
99.08108	3.5
105.07033	15.3
107.08593	36.2
109.10152	9.4
111.08111	5.1
113.09682	1.5
117.07027	9.5
119.08587	9.5
121.10146	29.0
123.11726	5.0
127.03938	4.0
129.07068	1.7
131.08546	11.3
133.10139	12.7
135.11681	13.3
139.11240	1.7
145.04947	3.2
145.10127	7.4
147.11736	6.0
149.13245	25.2
149.42525	1.5
159.11703	12.8
161.13350	2.8
163.06062	2.0
167.14474	1.7
173.13364	1.9
173.31096	1.5
177.12709	4.3
187.14861	2.6
195.13777	8.1
198.03757	1.5
211.35905	1.4
243.21025	2.2
261.22104	9.7
269.17477	98.8
270.17764	4.4
302.02072	1.4
335.21762	2.7
335.25790	57.2
336.26022	3.5
437.33759	2.0
470.20743	2.5
529.38898	100.0
530.39441	9.5
547.39532	1.9
598.53955	1.6
888.49884	27.9
889.49908	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	888.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	5.2
67.05505	92.1
69.03426	7.3
69.07069	39.1
69.56400	7.3
71.04998	16.4
73.02905	2.9
79.05494	71.6
81.03417	17.0
81.07059	100.0
82.07401	2.4
83.04989	23.6
83.08621	41.2
85.02895	9.4
85.06552	4.7
91.05477	65.0
93.07046	79.0
93.07630	4.3
94.07368	3.0
95.04971	62.2
95.05562	3.8
95.08613	46.2
96.05305	2.8
97.02901	4.4
97.06523	28.1
97.10184	15.5
98.22637	1.9
99.04459	6.2
99.08109	3.3
103.05471	2.7
105.07032	52.6
107.04967	19.7
107.05665	2.4
107.08597	57.8
109.06519	16.4
109.10149	32.1
111.04465	13.2
111.08090	11.5
115.05508	3.7
117.07021	28.5
119.08583	44.7
119.29704	1.9
121.06522	13.2
121.10137	32.4
123.08099	10.8
123.11700	5.4
125.05994	2.7
125.09634	16.1
128.06252	3.5
129.05486	3.5
129.07016	12.2
130.07831	2.6
131.08580	30.4
133.06465	5.0
133.10130	29.6
135.08075	11.5
135.11678	21.2
137.09639	7.5
139.11224	6.1
141.06984	3.9
142.07811	2.0
143.08563	8.1
145.06461	3.4
145.10135	29.7
147.08063	7.4
147.11700	18.4
149.09628	40.6
149.13257	13.9
151.11188	6.5
153.09094	2.3
153.12759	3.8
155.08540	5.3
157.10141	7.7
158.33760	1.6
159.11688	22.6
161.09622	6.4
161.13303	5.7
163.11186	31.1
165.12772	4.4
169.10161	3.2
171.11681	6.9
173.09596	4.2
173.11763	6.2
173.13293	6.6
175.11214	5.3
177.12770	7.9
179.14241	2.5
181.12230	3.5
183.11696	4.9
184.07275	2.5
185.13254	4.3
187.11255	5.4
187.14828	2.6
189.11226	7.4
189.12718	2.2
191.10600	1.9
193.12285	12.7
195.13750	3.6
197.13284	2.9
205.12259	5.4
213.14754	2.3
215.14372	2.6
223.13280	30.7
227.12901	4.4
229.14175	13.4
229.19489	3.3
233.15416	1.7
239.17941	6.6
247.20612	3.8
255.15976	2.2
257.18930	11.3
267.15787	3.8
269.17477	16.6
271.16821	2.0
273.18411	4.3
275.20053	81.9
276.20389	4.4
289.17969	9.2
291.19455	5.1
293.17761	2.2
293.21094	32.6
307.19025	3.3
331.22745	2.7
347.22235	2.3
349.23734	52.3
350.24161	3.6
363.21588	3.7
365.23044	2.2
367.24783	39.2
368.25116	4.4
381.22314	3.6
395.20801	2.6
399.23914	9.3
409.25732	2.4
413.21661	10.2
487.74350	2.0
503.33615	2.2
521.34796	19.8
522.35242	2.2
525.35120	3.0
543.36755	34.1
544.36945	3.3
561.37860	90.2
562.38300	11.5
601.40228	2.5
623.43036	14.4
624.42450	2.2
637.41132	2.1
641.44128	21.7
642.44177	3.6
655.43018	3.9
659.44067	2.3
669.38995	2.0
673.46362	10.6
687.40729	4.6
691.43982	3.5
705.42273	17.1
889.45990	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	888.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.8
67.05510	61.8
68.05852	1.6
69.03434	4.3
69.07073	28.5
69.16307	2.9
69.16720	7.3
71.04999	12.5
79.05496	50.2
81.03429	7.8
81.07060	100.0
82.07392	1.6
83.04985	7.9
83.08631	17.0
85.02895	3.0
85.06551	4.2
91.05480	39.9
93.07047	40.8
95.04974	13.9
95.08608	32.7
97.02880	2.0
97.06532	17.9
97.10178	6.1
98.23437	2.1
99.08095	4.9
105.07033	35.7
106.07385	1.7
107.04935	8.8
107.08598	31.5
109.06529	22.3
109.10159	22.5
111.08086	9.2
115.05482	2.2
117.07022	13.6
119.08582	27.6
121.06511	7.6
121.10145	23.2
123.08084	9.6
123.11725	8.2
125.09646	7.0
129.06976	5.2
131.08572	19.6
132.08881	1.3
133.06494	2.7
133.09122	1.3
133.10135	25.2
135.08080	7.2
135.11708	10.5
137.09621	5.4
139.11188	1.8
143.08574	5.1
145.06528	1.7
145.10130	16.0
146.10458	1.3
147.08067	4.8
147.11703	19.6
149.09628	12.5
149.13251	11.7
151.11169	4.3
155.08611	2.1
157.10110	6.4
159.08083	1.6
159.11681	16.4
161.09621	2.0
161.13268	4.0
163.11169	10.3
163.14801	2.7
165.12714	7.0
169.06163	1.4
169.10146	3.6
171.11720	4.6
173.11743	4.3
173.13277	6.3
175.11125	2.8
177.12732	4.2
179.14371	1.8
183.11697	1.6
184.07358	1.6
185.13417	1.7
187.11186	1.7
187.14810	1.5
189.11224	2.2
189.12761	1.7
191.10777	1.6
193.12259	2.9
195.13788	2.6
197.13309	3.4
207.13820	2.4
227.12724	5.3
229.14294	15.6
229.19547	4.1
233.15372	1.3
236.52892	1.3
239.18095	2.0
247.20612	5.2
257.19040	7.6
267.15961	4.9
269.17508	19.5
273.18387	1.6
275.20074	63.7
276.20547	2.5
289.74612	1.5
291.19406	2.2
293.18091	1.3
293.21155	8.9
331.22720	3.6
349.23755	44.9
350.23965	3.0
365.23129	1.5
367.24817	16.9
368.25159	2.5
381.26309	5.4
413.21713	6.5
423.27277	2.1
449.29239	1.6
463.30853	3.0
488.55066	1.4
503.33710	22.6
504.34164	1.9
521.34778	11.7
522.35266	2.4
525.35547	3.3
543.28729	2.5
543.36847	52.2
544.36859	8.2
561.37848	34.3
562.38000	3.7
575.39148	5.6
623.42957	14.1
624.43213	1.4
641.44104	14.5
642.44092	2.8
655.44379	1.6
673.47064	7.5
674.46277	1.9
687.40808	6.2
705.41998	5.2
889.44733	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	889.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05457	1.9
69.22510	3.8
79.05440	0.9
81.03352	2.0
81.07021	0.8
91.05431	1.0
93.07021	0.8
95.04928	1.0
100.02605	0.6
109.06451	1.0
109.10093	0.8
130.09622	0.7
135.50177	0.6
137.05930	1.2
137.69055	0.6
145.02841	1.1
147.04395	1.1
147.11703	0.7
151.07404	0.6
151.13463	0.7
159.04231	1.0
176.04480	4.4
177.05356	1.9
189.05115	0.8
203.03154	21.3
204.03905	5.4
205.04613	1.3
217.04736	4.1
219.06294	17.5
220.06633	0.7
224.46883	0.6
230.05495	1.1
231.06284	5.1
243.06401	0.7
248.06543	1.7
257.07901	1.7
275.31274	0.6
286.08151	0.9
287.08957	1.2
311.91348	0.7
340.70065	0.6
391.11948	1.4
395.11401	0.7
401.12015	1.2
406.41510	0.6
408.12027	0.7
409.12433	2.9
410.13339	1.9
420.11713	2.5
421.12393	2.1
422.12936	0.8
424.11313	1.9
425.12015	3.1
429.11420	0.9
438.12863	12.8
439.13644	10.9
440.14423	16.3
441.14853	3.4
447.27454	3.8
448.27783	2.1
453.15158	1.6
469.14716	2.7
487.78348	0.6
488.25558	0.6
511.15781	5.1
635.21082	1.6
646.20227	1.0
649.18927	2.2
660.03302	0.7
663.20490	4.9
664.21234	100.0
665.21790	18.3
829.26233	0.9
859.27789	6.3
889.28754	78.3
890.29089	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	889.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	5.1
69.03442	1.9
69.07074	2.1
71.05000	2.3
73.02930	3.0
79.05503	3.9
81.07053	8.9
83.08611	1.9
84.04521	0.8
85.02930	2.8
91.03972	1.9
91.05511	3.4
93.07056	4.1
95.04982	1.3
95.08620	3.9
97.02925	2.3
97.10184	1.1
101.02375	0.9
103.41493	0.8
105.06451	0.9
105.07020	3.8
107.04971	1.0
107.08607	3.1
109.10172	1.7
117.07016	1.0
119.08600	2.4
120.18824	0.8
121.10184	1.5
131.08630	2.1
133.10188	1.6
135.11743	1.6
137.09622	1.1
145.10269	0.8
147.11728	1.0
149.09616	1.0
163.11160	1.3
228.91757	0.9
243.08488	2.6
249.15141	0.7
269.17612	1.2
275.20343	0.9
276.20499	1.0
347.21802	3.8
356.42764	0.8
398.48520	0.9
403.25055	1.0
481.20563	5.2
531.40137	1.3
565.29688	13.4
805.43256	1.6
889.52759	100.0
890.53076	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.7
67.05509	6.6
69.03442	2.1
69.07084	2.0
71.04989	2.4
71.28321	0.4
73.02922	1.9
79.05494	5.1
81.03439	1.7
81.07066	8.8
82.07388	0.5
82.15791	0.5
83.04993	0.7
83.08616	2.4
85.02907	3.5
87.14382	0.5
91.03952	1.0
91.05487	3.2
93.07040	5.0
95.04996	2.1
95.08599	4.2
97.02891	3.3
97.06555	1.0
99.04507	0.6
101.02402	1.4
105.07043	3.9
107.04979	1.0
107.08589	3.0
109.06541	1.0
109.10191	1.8
111.08140	1.0
117.07017	1.2
119.08581	3.0
121.06563	0.8
121.10178	1.6
123.08109	0.8
125.09683	0.7
127.03920	0.9
131.08614	1.8
133.10173	1.6
135.11743	1.3
137.09576	0.6
144.37360	0.5
145.10172	1.7
147.06377	0.5
147.11705	1.4
149.09686	1.1
149.13348	0.8
157.10135	0.6
159.11717	1.1
163.11246	1.5
173.13271	0.6
177.12785	0.9
243.08432	3.7
259.39081	0.5
269.17511	1.1
275.20197	1.4
317.20825	0.7
335.25955	1.0
336.26157	1.1
347.22049	4.0
385.41907	0.5
403.24796	1.5
423.19894	0.8
481.20544	3.6
530.39575	1.1
531.40564	0.6
565.29919	15.4
566.30157	1.0
637.30981	0.6
805.43622	1.2
821.27313	0.5
871.49457	0.6
889.52789	100.0
890.53375	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	889.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.1
69.03437	1.8
69.07069	1.1
71.04996	2.1
73.02922	2.0
78.35773	0.5
79.05518	1.5
80.29895	0.5
81.03420	1.2
81.07066	5.9
83.04981	0.5
83.08667	0.8
85.02920	2.2
86.25203	0.4
91.03969	1.5
91.05473	2.4
93.07066	1.8
95.04981	0.7
95.08638	2.1
97.02914	2.0
97.06535	0.5
101.02381	0.9
105.07067	2.0
107.04966	0.5
107.08612	1.1
109.10194	0.9
119.08610	1.3
121.06503	0.6
121.10178	0.9
129.07037	0.6
131.08539	0.6
133.10132	0.7
135.11682	0.7
145.10233	0.6
147.11722	0.9
149.09656	0.6
159.11722	0.5
163.11302	0.6
208.33777	0.6
243.08488	1.5
269.17719	0.8
275.20081	0.9
280.14594	0.5
337.27469	1.0
344.32803	0.6
347.21869	3.3
423.19818	0.9
450.26620	0.5
481.13889	0.8
481.20071	3.7
530.38831	0.6
531.40631	1.6
565.29865	11.3
566.30341	1.1
721.35168	0.8
747.43237	0.5
805.43549	1.6
889.52649	100.0
890.53052	16.2
890.70709	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	890.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06518	1.8
65.03938	2.8
67.05507	70.2
69.03421	5.6
69.07070	30.2
71.04999	3.6
71.28089	2.4
73.02934	2.3
74.99969	1.8
79.05498	64.8
80.05817	3.0
80.56490	1.8
81.03429	10.4
81.03804	1.8
81.07058	100.0
82.07381	4.9
83.04997	9.6
83.08617	15.0
84.80437	2.3
85.02895	11.1
85.06544	3.3
86.09702	2.5
91.03945	3.3
91.05485	50.4
91.06011	3.5
92.05810	3.0
93.07040	45.8
94.07395	2.2
95.04979	19.5
95.08602	36.1
97.02913	5.5
97.06558	11.2
97.10186	5.8
103.05446	4.7
105.07029	77.1
105.14530	2.1
107.04944	14.1
107.08602	22.8
109.06513	18.0
109.10159	19.0
111.04431	3.1
111.08083	5.6
115.05478	2.3
117.07023	15.0
119.08583	31.2
121.06516	8.0
121.10136	20.4
123.08056	10.3
123.11701	6.7
125.09653	6.5
128.06268	2.8
129.07016	11.9
131.08545	15.6
133.10141	24.7
134.10524	2.1
135.08075	9.1
135.11722	13.1
136.62299	2.0
137.09596	5.7
141.06934	3.0
143.07492	2.9
143.08525	11.4
145.06500	2.9
145.10130	18.5
147.08034	7.7
147.11679	15.6
149.09642	14.1
149.13269	4.4
151.11201	7.9
155.08580	2.6
155.44153	2.0
157.10127	9.4
159.08141	2.2
159.11714	9.2
161.09624	7.4
161.13263	4.9
163.11127	11.2
163.14891	2.1
165.12697	4.8
169.10095	2.9
171.11707	5.5
172.66177	2.1
173.13289	4.4
175.11177	5.8
177.12796	3.4
183.11685	2.5
184.07375	9.0
185.13272	4.3
187.14864	2.6
193.12207	2.2
197.07286	3.6
223.13249	2.2
229.14439	6.4
247.20609	4.6
257.19107	4.2
261.22287	2.3
267.16031	2.9
271.15430	14.5
272.19958	2.2
273.18542	16.7
275.20074	42.4
276.20551	4.7
291.19608	8.4
293.21109	10.9
304.97241	2.1
309.16150	7.9
335.25848	18.0
336.26166	4.1
347.22150	8.0
349.23724	31.4
350.23907	4.5
365.23160	6.4
367.24768	40.8
368.25037	4.0
383.19968	25.2
394.27420	12.9
396.53094	2.0
401.20868	41.7
513.35645	3.0
531.36890	8.1
605.17651	2.0
621.41119	4.4
639.42419	4.7
657.38776	13.0
675.40149	28.6
676.40015	4.7
693.40985	28.7
694.41272	4.4
721.37445	4.2
890.56012	37.8
891.47272	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.2
66.47899	1.7
67.05510	67.2
67.89146	1.6
68.05824	3.1
69.03437	8.5
69.06735	2.3
69.07079	29.8
69.23180	8.2
71.04979	5.6
73.02895	1.9
79.05499	65.2
80.05844	1.9
81.03424	12.5
81.07061	89.2
82.07390	3.0
83.04991	12.8
83.08620	33.1
83.95496	1.6
85.02888	7.4
85.06537	6.0
86.09711	3.4
91.03956	4.5
91.05482	72.6
93.07048	63.0
93.07633	3.6
95.04977	29.1
95.08610	39.3
97.02870	3.1
97.06541	8.5
97.10166	7.5
98.23343	3.3
99.04488	3.7
99.08092	2.9
101.24332	1.8
103.05479	7.3
105.04555	2.8
105.07035	100.0
106.07375	3.7
107.04955	22.5
107.07872	2.0
107.08600	38.0
108.08926	2.2
109.06523	13.1
109.10160	33.5
110.10516	1.7
111.04449	2.4
111.08075	6.6
115.05447	2.8
117.07021	19.7
119.08592	42.8
120.05684	2.4
121.06509	13.2
121.10149	20.9
123.08067	14.4
123.11722	5.7
125.00018	2.7
125.09670	8.8
127.03909	3.1
127.07590	2.7
129.07030	8.8
130.07741	1.7
131.08583	30.5
132.08910	1.8
133.06508	3.8
133.10130	42.1
135.08075	9.6
135.11688	13.8
137.09590	7.8
139.11159	2.5
141.06911	3.1
141.42560	1.6
143.08551	12.1
145.06560	2.2
145.10132	29.1
146.07329	2.1
147.08069	8.4
147.11664	14.3
149.09628	24.9
149.13226	4.5
151.11183	11.3
153.09103	2.7
155.08551	4.1
157.10159	7.7
159.08011	3.9
159.11717	17.1
160.12073	1.8
161.09612	11.0
161.13277	5.1
163.11191	26.1
165.12799	3.2
169.10112	5.0
169.12254	1.8
171.08043	1.6
171.11674	5.9
173.09602	5.7
173.11856	2.1
173.13240	8.1
175.11191	6.2
177.12692	3.8
178.15875	2.1
181.10123	2.3
183.11690	3.5
184.07344	8.7
184.63011	1.8
185.13304	3.3
187.11087	2.6
187.14786	2.4
187.42696	1.6
189.11217	3.2
189.12753	3.4
197.07288	3.2
197.13304	3.6
203.17830	1.8
205.12221	1.8
207.11662	1.8
223.13245	5.5
227.12778	3.7
227.17966	2.4
229.14325	1.9
229.19496	3.1
239.17995	6.5
245.18733	2.3
253.11812	3.3
253.14355	39.0
254.14841	2.1
255.17500	2.8
257.18967	7.4
261.22150	6.5
269.90674	1.8
271.15375	15.1
272.20105	6.0
273.18497	29.2
275.20059	55.5
276.20471	3.8
291.19528	34.3
293.21143	11.7
309.16183	7.0
327.17316	3.3
335.25821	16.7
347.22202	11.9
349.23746	44.7
350.23892	2.7
365.23111	9.2
367.24789	25.9
383.19797	21.4
385.21558	5.6
394.27390	18.8
401.20941	35.9
402.20996	2.5
513.35712	2.4
531.36639	14.8
561.70111	2.0
577.32239	4.2
621.41046	6.8
639.42896	11.7
657.39172	13.3
658.38959	2.2
675.40216	36.7
676.40442	4.6
693.41260	25.5
694.41345	2.6
890.45831	14.3
890.57050	33.1
891.47394	22.0
924.13318	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	890.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.9
67.05508	69.2
69.03433	7.1
69.07076	40.1
71.04999	8.0
75.00050	3.1
76.54773	1.3
79.05500	81.8
81.03420	17.4
81.07064	100.0
83.04994	19.0
83.08624	47.4
85.02914	10.7
85.06554	3.0
89.01556	1.7
91.05486	72.4
93.07050	70.7
94.07407	1.8
95.01346	2.0
95.04975	89.4
95.08614	42.8
95.09230	1.8
97.02921	3.1
97.06524	13.3
97.10194	19.8
99.04453	7.2
99.08098	3.7
103.05493	3.4
105.04539	1.6
105.07038	63.7
107.04960	31.7
107.05616	2.5
107.08600	51.8
109.06529	21.2
109.10166	25.1
111.04427	14.0
111.08088	13.3
115.05467	3.4
115.25762	1.5
116.06258	2.9
117.01028	1.9
117.07031	27.1
119.04951	2.3
119.08587	59.7
120.08891	2.2
121.06511	14.7
121.10145	32.9
123.08077	23.4
123.11667	1.9
123.48949	1.7
124.99995	1.9
125.06051	2.1
125.09645	18.2
127.03898	1.6
128.06223	5.1
129.05542	2.0
129.06995	13.8
130.07784	2.9
131.08574	39.8
133.06537	6.8
133.10132	32.7
133.11050	2.2
135.08058	14.1
135.11685	18.7
135.24432	1.7
136.12154	1.5
137.09602	8.4
139.11189	3.0
141.07011	4.9
142.07718	2.1
143.08569	13.0
145.06496	5.0
145.10139	40.8
147.08046	17.5
147.11694	20.4
149.09624	49.3
149.13272	4.9
150.12785	1.7
151.07597	1.4
151.11223	3.2
153.09106	3.5
153.12744	3.1
155.08578	5.8
157.10117	9.5
159.08058	2.1
159.11684	20.2
161.09647	13.8
161.13300	7.4
163.11186	47.9
165.12769	6.8
167.08591	2.1
169.10150	7.0
171.08186	1.8
171.10283	2.4
171.11713	11.7
173.09663	6.3
173.13297	6.7
175.11201	7.0
177.12784	5.4
178.15923	3.9
181.10228	1.6
181.12282	4.2
182.10999	1.6
183.11703	4.5
184.07335	3.7
185.09761	1.5
185.11795	2.4
185.13344	4.7
187.11220	5.6
189.11267	17.8
189.12808	3.4
191.10753	3.0
193.12320	2.2
195.11809	2.6
197.07367	4.5
197.13295	4.0
199.11165	2.3
199.14883	2.4
205.12244	7.5
223.13298	51.5
224.13736	1.8
227.12787	4.0
227.18019	4.0
229.19518	4.5
237.16576	1.7
239.18008	6.1
245.19041	3.5
247.20584	3.1
255.17419	5.4
257.13669	1.5
257.18991	15.6
273.18503	42.3
274.18671	2.4
275.20074	90.8
276.20520	4.1
291.19550	44.8
291.22720	2.8
292.20023	3.6
293.21121	56.8
294.21704	2.3
309.16156	10.5
311.22440	2.1
327.17194	3.0
329.21109	1.9
331.22803	2.0
347.22205	17.6
349.19540	2.4
349.23761	43.8
349.27881	3.3
350.23700	2.0
350.27246	2.4
365.23151	6.1
367.24814	65.4
368.25012	4.3
368.97345	1.5
383.19852	46.4
384.20114	3.1
401.20923	65.0
402.21170	4.3
577.33234	1.7
595.33984	3.1
621.41791	8.4
639.42407	12.8
640.42419	3.0
657.38763	18.4
675.40265	62.0
676.40491	9.1
684.51337	4.3
693.41296	63.4
694.41248	6.6
890.43958	2.1
890.61554	13.4
891.50476	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.0
67.05508	45.4
69.03429	4.1
69.07071	24.4
71.01367	0.7
71.05004	5.5
75.00009	0.8
78.48418	0.7
79.05495	50.8
80.05818	1.3
81.03416	7.5
81.07059	100.0
82.07384	2.2
83.04985	7.5
83.08617	15.3
84.74694	0.7
85.02901	2.1
85.06545	2.7
91.05482	43.1
92.05813	1.2
93.07045	38.1
94.07378	1.3
95.01338	1.3
95.04973	15.9
95.08607	31.2
97.02890	1.6
97.06538	7.9
97.10172	4.8
98.22524	0.9
99.04489	1.3
99.08100	3.8
103.05481	1.6
105.04537	1.9
105.07034	35.8
107.04955	15.1
107.07876	1.0
107.08601	22.2
109.06523	24.3
109.10156	12.4
110.06852	0.8
111.04465	2.3
111.08094	5.6
115.05421	1.6
117.01044	0.9
117.07022	14.6
119.05006	0.8
119.08585	31.8
120.08907	1.0
121.06512	8.6
121.10139	18.6
123.04408	1.1
123.08076	14.4
123.11718	6.1
125.06056	0.6
125.09637	4.5
128.06229	2.6
129.06993	7.6
130.07788	1.9
131.08575	17.1
133.00502	1.2
133.06447	4.3
133.10143	18.9
135.08052	6.8
135.11702	7.2
137.09618	5.1
139.11145	1.6
141.07007	2.0
142.07765	1.5
143.08586	7.9
144.09373	0.8
145.06508	2.9
145.10117	18.4
146.10451	0.7
147.08047	7.7
147.11687	18.4
149.09630	13.1
149.13254	6.4
151.11221	3.0
153.09160	1.1
155.08606	2.5
157.10138	7.9
159.08069	2.5
159.11693	9.0
161.09625	8.8
161.13289	3.5
163.11163	11.7
163.12437	0.8
163.14801	1.6
165.09119	0.7
165.12773	5.1
169.10173	2.4
171.08183	1.0
171.10187	1.7
171.11723	5.3
173.09618	3.3
173.13246	4.7
175.11172	5.1
175.14824	1.2
177.12794	3.0
179.14253	0.9
181.10147	1.4
181.12305	0.7
183.11768	2.6
184.07382	2.2
185.09593	1.0
185.13295	2.8
187.11229	2.8
187.14809	1.8
189.11217	1.6
189.12814	1.9
191.10550	0.8
193.12320	2.9
195.11742	1.6
197.07344	2.3
197.13300	1.3
199.11241	1.1
199.14847	0.9
201.12845	1.8
203.14299	0.7
205.12201	1.1
211.14832	1.2
213.16396	1.2
215.18083	0.8
217.15895	0.8
219.13852	1.2
219.17398	0.7
223.13287	1.2
227.17943	1.8
229.19527	2.1
237.16406	0.9
239.18117	2.3
245.19092	2.6
247.20471	3.1
249.15105	1.0
255.17426	2.3
257.19012	4.5
267.15985	2.0
273.18509	21.9
274.18903	1.4
275.20062	52.1
276.20496	2.7
281.16852	1.5
291.19540	28.0
292.19815	1.1
293.21088	13.2
309.16171	5.6
327.17316	2.1
331.28769	0.6
335.25934	0.9
347.22189	8.9
349.23749	32.3
350.24164	1.8
365.23154	6.1
367.24802	48.4
368.25262	2.9
383.14893	1.2
383.19830	22.3
384.20306	1.2
401.20898	37.9
402.21396	2.6
449.72464	0.7
489.32642	1.0
547.37744	0.8
565.38824	1.5
621.41595	7.4
622.41077	0.9
639.42401	8.3
657.38776	19.0
658.39148	1.9
675.40216	40.5
676.40417	4.7
684.52844	0.9
693.41211	33.9
694.41547	4.4
739.81366	0.8
890.46991	2.7
890.61121	1.5
891.50043	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	890.547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	5.3
67.05509	80.8
68.99201	8.8
68.99624	7.0
69.03425	5.6
69.07077	26.2
71.04993	4.1
76.10871	1.7
79.05497	58.4
81.03425	10.3
81.07062	100.0
83.04979	14.9
83.08621	22.5
85.02913	5.0
85.06554	3.5
86.06054	4.2
91.05489	42.5
93.07053	50.9
95.04977	20.4
95.08618	27.6
97.02923	3.8
97.06545	12.6
97.10178	23.9
98.22618	3.7
99.04482	3.1
99.08067	3.1
101.09621	2.0
103.05482	3.5
105.04562	2.3
105.07039	41.8
107.04968	12.3
107.08601	41.1
109.06529	15.6
109.10162	37.4
111.04427	14.3
111.08089	6.8
115.05449	2.4
117.07010	14.1
119.04983	3.1
119.08591	34.3
121.06506	16.1
121.10145	21.0
121.49603	2.3
123.08080	22.1
123.11700	6.1
125.09641	21.8
128.06209	2.4
129.06990	8.7
131.08586	23.1
133.06477	6.1
133.10139	22.5
135.08098	9.2
135.11713	13.7
136.06187	4.2
136.11961	2.5
137.09633	8.5
139.11227	2.2
142.07693	2.1
143.08583	9.5
145.06438	2.1
145.10136	19.5
147.08063	11.2
147.11696	14.0
149.09631	12.4
149.13271	8.6
151.11180	2.7
153.09135	3.8
153.12744	5.4
155.08595	4.8
155.10725	2.6
157.10106	9.1
158.10648	2.5
159.11768	10.8
161.09601	10.5
161.13237	4.3
163.11194	20.6
165.09140	4.3
165.12781	2.6
169.10164	3.6
171.10257	3.0
171.11703	4.4
173.09625	4.8
173.11775	2.7
173.13269	4.5
175.11200	5.5
177.12744	3.8
181.12299	7.6
183.11700	2.6
184.07376	3.0
185.13297	5.1
187.11237	2.1
189.11229	18.2
189.12743	3.3
191.10712	3.0
193.12239	4.3
195.11633	2.5
195.13882	1.8
195.64156	1.7
197.13246	2.6
201.12672	2.3
209.13425	2.1
213.16455	2.3
223.13278	4.5
227.12769	21.4
229.14380	13.3
230.14630	2.9
233.15439	2.4
239.17841	2.5
245.19014	3.5
249.14769	3.3
255.17583	3.0
257.18994	5.1
267.15942	3.9
269.17511	19.7
273.18478	35.1
274.18851	2.6
275.20117	27.5
278.21179	1.8
283.15445	4.6
291.19565	58.0
291.22754	4.0
292.20047	4.1
293.21121	6.3
308.08734	2.4
309.20630	7.0
311.18881	2.3
347.22180	9.6
349.23746	23.3
365.23282	38.5
366.23615	4.3
367.24963	13.5
383.24365	17.3
501.32053	4.7
519.33112	27.5
520.33081	2.8
537.34149	12.7
541.35089	8.4
559.36334	28.8
560.36285	4.0
577.37183	17.1
578.37744	2.6
621.41687	5.3
639.42450	24.9
640.42279	4.1
657.43506	17.2
675.44220	6.6
730.34595	2.7
871.41339	2.5
890.45715	3.8
891.45117	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	891.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94722	0.9
71.05006	1.1
73.02921	1.1
81.03426	1.9
91.05493	1.6
93.87276	0.9
95.04976	1.0
97.02921	1.4
107.04967	1.6
121.06532	3.4
137.06009	1.2
147.04436	1.6
163.03891	0.9
167.07108	2.3
177.05553	1.8
189.05272	1.5
201.05495	1.2
205.04811	1.7
230.58705	1.0
277.17746	0.9
284.20676	1.0
345.74127	1.1
385.12674	1.2
469.20914	1.1
493.09448	1.4
501.23218	2.3
552.65765	1.2
639.92072	1.1
666.23071	5.1
667.23694	1.2
771.67889	1.2
878.78333	1.1
891.20978	100.0
891.41290	17.0
892.21454	19.4
892.40143	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	891.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.8
69.03452	3.5
69.07088	0.7
70.63316	0.4
70.63686	1.2
71.01389	0.6
71.05009	0.7
73.02924	4.1
79.05484	2.2
81.03414	4.3
81.07052	2.3
83.04993	0.5
83.08633	1.0
85.02910	5.9
87.04501	0.6
91.03950	3.1
91.05472	3.3
93.07068	1.6
95.04990	1.8
95.08627	0.8
97.02892	5.5
97.03410	0.4
97.06526	0.4
101.02396	1.8
105.07072	2.0
107.08627	1.2
109.02924	0.8
109.06545	0.7
115.03940	0.6
119.08622	1.2
121.10196	1.4
126.03567	0.4
127.03958	1.3
129.07051	0.7
131.08636	1.4
133.10164	1.3
137.85831	0.4
147.11748	1.3
149.09686	1.5
157.10172	0.8
167.03426	0.7
171.10162	0.5
175.11230	0.6
185.04301	0.9
193.12372	1.7
197.15417	0.5
203.05391	0.7
243.08423	2.5
251.12569	0.5
267.15955	0.7
283.15219	2.3
339.17984	0.6
347.09680	2.0
365.10818	0.6
405.13751	5.7
415.44797	0.5
469.20554	6.5
501.23004	7.1
522.70404	0.5
603.05261	0.4
631.25763	5.9
632.25269	0.5
663.28369	6.6
664.28815	1.0
713.79437	0.5
729.37042	2.1
797.05939	0.6
891.41907	100.0
892.42181	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	891.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.5
69.03440	0.7
69.67744	1.3
69.68153	0.9
79.05510	1.7
81.03433	0.5
81.07076	2.8
82.07391	0.5
83.08635	0.6
85.02923	0.9
86.52168	0.4
91.03988	0.4
91.05499	1.2
93.07046	1.3
95.08619	1.0
97.02896	0.6
97.10168	0.5
105.07034	2.8
107.08604	0.8
108.70214	0.4
109.10168	0.7
117.07120	0.4
119.08630	0.7
121.06549	0.5
121.10181	0.6
125.56075	0.4
145.10231	0.6
184.07411	1.1
191.65962	0.5
275.20090	0.7
291.19733	0.7
299.04987	0.4
367.24594	0.5
406.88177	0.4
567.25616	1.1
581.27283	1.1
719.39124	0.6
720.51837	0.6
721.37646	5.2
722.37476	0.8
730.51855	0.6
805.43005	0.9
891.48553	100.0
892.48663	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.3
69.07069	0.4
79.05511	0.8
81.03423	0.3
81.07084	0.7
91.05505	0.5
93.07044	0.8
97.02900	0.3
98.22654	0.8
105.06480	0.3
105.07003	1.4
107.08607	0.5
109.10197	0.7
121.06509	0.4
173.75331	0.3
209.70247	0.3
498.70160	0.3
567.25745	1.2
581.27380	1.3
891.48596	100.0
892.48956	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	891.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.4
65.94632	0.4
67.05506	6.9
67.05837	0.5
67.64816	0.3
68.05843	0.3
69.03439	2.6
69.07076	3.0
69.57384	1.1
71.01361	0.6
71.05025	0.7
73.02917	2.5
79.05495	5.4
81.03424	2.1
81.07053	7.7
82.07410	0.4
83.05009	1.2
83.08638	2.1
84.31734	0.4
85.02900	3.2
85.03275	0.3
86.09727	0.4
91.03958	1.7
91.05482	5.3
91.80397	0.3
93.07045	5.1
93.07546	0.4
94.07400	0.3
95.04979	1.8
95.08603	2.8
97.02908	3.3
97.06556	1.2
97.10168	1.9
101.02408	0.9
103.03967	0.4
105.04515	0.4
105.07028	3.3
107.05015	1.4
107.08596	3.2
108.08224	0.5
109.02927	0.5
109.06500	1.7
109.10149	2.6
111.04514	0.5
111.08125	1.1
112.29214	0.3
115.03914	0.4
117.07064	1.4
119.08590	2.7
121.06554	1.0
121.10151	1.9
123.08114	1.1
125.00043	0.4
125.09631	2.4
127.03950	0.9
129.07057	0.8
131.08574	1.6
133.10168	2.0
134.10468	0.4
135.08147	0.6
135.11745	1.0
137.09659	0.8
143.08606	0.5
145.10197	1.6
147.11745	1.1
149.09715	1.5
149.13353	0.6
150.12814	0.4
159.11812	0.8
163.11250	1.0
177.12730	0.4
181.12102	0.4
184.07396	1.7
185.04347	0.4
185.13341	0.4
189.11346	0.5
193.12267	0.3
207.14236	0.4
207.16237	0.5
227.12906	1.1
228.13226	0.6
243.08406	3.8
257.19089	0.4
273.18576	0.9
275.20099	2.1
276.20667	0.6
277.21600	0.4
291.19534	0.8
301.09097	0.9
313.08978	0.6
331.18887	0.8
347.22049	1.1
349.20148	0.4
349.23727	1.7
360.64813	0.4
371.17093	0.5
385.21631	0.5
405.22311	0.5
406.40369	0.4
413.18027	0.5
439.19894	0.4
451.19427	0.6
456.70630	0.4
483.22269	0.6
549.27289	1.6
551.28461	2.2
565.29883	2.6
567.27753	3.8
568.28522	0.6
581.29755	1.1
583.31439	1.2
623.43384	0.5
641.44055	0.7
659.18219	0.4
721.38025	0.5
740.73480	0.4
793.40540	0.6
891.50684	100.0
892.51007	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	891.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.9
67.05512	10.2
69.03448	2.8
69.07081	4.1
70.54214	0.6
70.54555	0.9
71.04987	1.3
71.53506	0.5
73.02931	1.6
78.55772	0.5
79.05502	7.6
79.19981	0.6
80.05872	0.6
81.03400	2.7
81.07063	9.4
82.07400	1.4
83.04996	1.8
83.08627	3.4
83.44870	0.5
85.02898	3.2
86.09741	0.6
91.03979	0.8
91.05484	8.1
91.06013	0.7
92.05840	1.0
93.07058	7.6
94.07398	0.7
95.04970	4.3
95.08620	4.0
96.05348	0.7
96.08926	0.7
97.02911	3.0
97.06553	1.3
97.10181	2.4
101.02400	0.6
105.07035	5.8
106.07427	0.8
107.04998	2.4
107.08601	5.3
108.08983	1.0
109.06551	1.7
109.10192	3.2
110.10531	0.6
111.04466	0.6
111.06992	0.5
111.08100	1.1
117.07066	2.4
119.08576	4.7
120.08926	0.6
121.06563	1.5
121.10163	3.0
122.10606	0.5
123.08091	2.0
123.11673	0.6
125.00034	0.8
125.09676	2.1
127.03973	0.6
129.07063	1.0
131.08595	2.9
133.10158	2.6
135.08078	1.1
135.11739	1.2
137.09660	1.2
143.08597	0.6
145.10139	2.9
147.08115	1.1
147.11722	1.5
149.09641	2.9
149.13280	0.7
150.09966	0.7
155.08658	0.5
157.10109	1.1
159.11763	1.6
161.09673	0.7
163.11256	2.2
165.12790	0.7
173.13382	0.5
175.11130	0.5
177.12785	0.7
184.07353	2.6
189.11296	0.9
223.13341	2.5
243.08562	1.6
257.19180	0.7
258.19412	0.8
273.18646	1.9
274.18961	0.9
275.20105	3.2
276.20447	1.7
291.19608	2.3
292.20050	1.6
293.21228	1.5
294.21753	1.2
347.22198	2.2
349.20032	0.7
349.23846	1.9
350.23868	1.0
365.23264	1.1
367.24869	2.0
368.25217	2.3
383.20221	1.0
384.20413	0.6
401.20972	1.7
402.21445	1.6
415.22775	0.6
481.20145	0.8
531.26007	0.7
549.26318	1.1
565.30121	1.6
567.27826	2.4
583.31024	2.6
640.42505	1.2
658.39594	0.7
676.40399	2.9
677.40765	0.8
685.52856	0.9
694.41748	2.2
721.37378	1.3
793.43121	1.1
807.40631	0.7
847.56317	1.0
873.49829	3.1
891.49567	100.0
892.50000	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
73.37608	1.5
159.89949	1.4
186.71313	1.3
193.05093	1.6
197.32018	1.6
237.07777	1.4
338.16031	1.3
349.17041	3.9
893.46643	100.0
894.46838	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	893.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.4
69.03442	0.6
69.07075	0.8
73.02924	0.6
79.05505	1.2
79.70340	0.3
81.03437	0.4
81.07068	1.7
83.08640	0.4
85.02900	0.9
86.09680	0.5
91.05496	0.7
93.07061	0.6
95.04974	0.5
95.08607	0.8
97.02919	0.8
98.22556	0.7
98.97579	0.6
99.04468	0.4
101.02361	0.3
105.07055	0.7
107.08601	0.6
109.10158	0.4
116.28500	0.3
116.98608	0.4
119.08628	0.5
125.09643	0.5
127.03925	0.4
131.00189	0.8
131.08653	0.4
145.10152	0.4
149.01266	0.4
149.02374	0.7
163.36494	0.3
163.42239	0.3
184.07378	1.4
203.05646	0.4
210.59818	0.3
243.08501	0.6
255.09106	1.0
267.09055	0.5
273.10330	0.4
275.19952	0.4
293.05563	0.5
296.56033	0.3
304.63589	0.4
331.15881	1.2
347.15335	1.4
349.16876	6.9
350.17108	0.4
365.16440	1.1
367.18057	0.4
473.17035	0.5
551.28394	1.1
565.23523	0.4
567.25446	0.8
583.24658	1.0
585.25903	0.9
893.46619	100.0
894.46906	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62322	2.6
71.30179	2.6
72.37215	2.7
100.80826	2.8
117.55750	3.2
222.76172	3.0
265.81921	2.9
292.20276	3.4
349.16791	4.9
893.46686	100.0
894.46857	15.4
925.57178	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	893.485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.2
69.03432	2.6
69.07076	2.0
71.05002	1.5
71.29226	0.5
73.02917	3.1
79.05492	3.1
81.03451	1.0
81.07056	3.3
83.04995	0.8
83.08631	1.3
85.02917	4.2
86.09698	0.9
90.62917	0.4
91.03957	3.1
91.05482	2.4
93.07032	2.5
95.01087	0.5
95.04996	1.2
95.08624	1.6
97.02894	3.6
97.06548	0.7
97.10168	1.0
99.04495	0.9
101.02406	1.6
105.07041	2.5
107.04971	0.6
107.08611	1.8
109.02934	0.5
109.06561	0.5
109.10178	1.4
111.04462	0.6
111.08099	0.6
117.07033	1.0
119.08611	1.0
121.06500	0.7
121.10166	1.2
123.08102	0.5
125.09699	0.8
127.03961	1.8
129.05528	0.9
131.08598	1.2
133.10143	1.4
135.11736	0.8
137.09676	0.6
145.04977	0.8
145.10164	1.0
147.08107	0.5
147.11702	0.7
149.09648	1.3
156.86623	0.4
159.11728	1.1
163.11237	1.3
181.04715	0.5
184.07364	2.2
185.04218	2.5
201.03822	1.1
201.14951	0.5
203.05313	0.7
219.77930	0.4
223.13187	0.4
229.14418	0.6
241.06979	0.5
243.08412	4.0
259.08063	0.6
261.43622	0.4
275.20230	1.1
301.08981	5.4
315.10455	2.3
327.10815	0.5
333.20386	3.3
343.13626	0.5
357.14679	0.6
359.22260	0.7
365.23026	0.8
371.16812	0.8
373.10803	2.1
383.16714	0.5
385.18271	4.4
389.23041	1.2
413.18176	0.5
425.17953	0.7
429.16895	0.9
431.24600	0.8
439.19760	0.8
443.19348	1.2
457.20578	0.8
477.24799	0.7
481.20648	0.7
485.19910	2.7
486.19781	0.5
499.21393	0.7
515.33551	0.9
534.89264	0.4
541.22260	2.5
551.28259	10.3
552.28534	1.0
561.33649	0.7
567.26361	0.8
569.29773	1.5
583.31464	3.9
610.29663	0.9
623.30505	2.9
625.32306	1.7
637.32153	0.8
651.33575	1.6
665.34674	0.6
694.39001	0.8
735.39105	2.8
749.40741	0.6
777.41327	0.6
795.40137	0.8
807.41315	1.1
875.47742	1.8
893.49774	100.0
894.49866	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	893.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.0
69.03432	1.4
69.07069	2.7
71.19206	0.7
73.02923	1.8
73.03854	0.6
77.35829	0.7
79.05500	2.2
81.03413	1.5
81.07048	3.5
83.05001	1.1
83.08620	1.1
85.02894	3.6
86.09715	0.9
91.03958	1.4
91.05507	2.2
93.07065	2.4
95.08617	1.5
97.02911	2.1
97.10181	1.4
99.04450	0.9
101.02415	1.1
105.07061	2.0
107.08627	1.7
109.02892	0.8
109.10221	1.3
109.41880	0.7
119.08616	1.4
121.10213	1.0
122.31129	0.7
123.08121	1.1
125.00044	1.0
125.09612	1.4
127.03958	1.0
145.10173	0.8
163.11221	1.7
167.96368	0.7
184.07396	2.6
185.04324	1.1
223.79903	0.7
243.08379	3.2
300.46704	0.9
301.09125	1.4
349.19763	3.8
349.27286	0.7
371.16986	0.9
479.96582	0.7
551.36121	1.9
567.27716	12.1
568.28009	1.5
639.29584	1.6
697.64594	0.8
710.53363	0.8
713.40814	1.8
763.09595	0.8
893.48633	100.0
894.48975	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46077	0.4
63.82467	0.4
67.05505	4.1
69.03426	2.4
69.07079	2.6
71.04986	0.4
73.02915	2.4
78.05125	0.4
79.05495	4.1
81.03429	2.9
81.07055	6.1
83.04987	1.1
83.08626	1.3
84.33056	0.4
85.02900	3.0
86.09715	0.5
91.03951	2.1
91.05482	3.7
92.05824	0.5
93.07048	3.4
95.04984	2.3
95.08611	2.0
97.02894	3.3
97.06531	0.6
97.10194	0.9
101.02417	1.5
105.07029	2.6
107.04961	1.0
107.08604	2.1
109.02917	0.7
109.06544	1.3
109.10203	1.6
111.04485	0.8
117.07065	1.1
119.08624	2.3
121.06530	3.4
121.10186	1.2
122.06898	0.4
123.08103	1.0
125.00066	0.5
125.09650	0.5
127.03923	1.0
131.08598	1.1
133.10175	1.0
135.08142	0.5
135.11667	1.0
138.09212	0.6
145.10187	1.0
147.11742	1.7
149.09628	0.8
153.12787	0.5
157.10181	0.9
161.09712	0.4
163.11247	1.2
173.09665	0.5
184.07407	1.7
185.04253	0.9
189.11298	0.7
193.12250	0.5
203.05481	0.4
222.51082	0.5
243.08394	3.3
251.12608	0.5
267.15976	1.7
268.16248	0.6
275.20169	0.5
279.78247	0.5
279.81293	0.4
285.10205	0.6
291.19604	0.5
301.09052	0.9
311.85828	0.4
313.09174	0.5
315.10550	0.7
319.18881	0.5
349.16434	0.5
349.20148	2.8
365.19916	0.5
371.16998	0.7
385.18893	0.5
405.22296	0.6
439.19241	2.5
451.19531	0.7
469.20450	2.7
481.20639	0.6
511.21945	0.5
551.28143	1.0
567.27850	7.7
639.30035	0.8
713.44781	1.2
765.39813	1.7
795.40967	1.9
831.49512	0.6
893.48615	100.0
894.49048	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	893.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21925	0.9
66.96239	0.8
67.05518	3.5
69.03439	5.1
69.07082	1.3
71.01349	1.1
71.30482	1.0
73.02559	0.8
73.02928	3.6
79.05508	3.3
81.03426	2.3
81.07060	4.7
85.02922	6.0
90.39420	0.9
91.03977	3.2
91.05472	1.6
93.07079	3.7
95.08630	1.9
97.02910	4.4
99.04488	1.3
101.02425	2.9
107.08603	1.9
109.10218	1.4
127.03954	1.6
146.21486	0.9
149.13377	1.3
243.08368	2.1
246.00084	1.0
347.09595	2.0
402.03915	1.0
405.14011	3.9
440.92206	1.0
453.20877	5.4
454.21573	1.1
519.29633	3.9
615.26544	8.0
630.11798	1.1
681.34473	4.2
731.43060	1.9
893.48651	100.0
894.48859	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	893.487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	3.7
69.03096	0.4
69.03444	4.7
69.03886	2.5
69.07069	1.1
73.02916	4.3
76.12759	0.4
79.05496	2.7
81.03432	1.7
81.07068	3.3
83.08632	0.7
85.02914	5.8
87.04514	0.4
91.03951	3.0
91.05492	0.9
93.07048	2.7
95.05048	0.5
95.08611	2.1
97.02898	5.0
99.04445	0.9
101.02412	1.8
103.03938	0.6
106.03607	0.5
106.16456	0.5
107.08605	1.4
109.02917	0.8
109.10150	0.6
115.03977	0.5
119.08630	0.5
121.10220	0.6
124.38969	0.5
127.03952	1.7
131.08615	0.5
133.10120	0.6
135.11746	0.7
149.13272	0.7
185.04248	0.9
203.50586	0.6
243.08493	1.7
288.87039	0.6
335.25531	0.6
347.09665	1.9
365.10568	0.9
405.13809	4.6
453.20996	5.2
519.29199	2.6
615.26233	6.7
619.01984	0.6
681.34351	4.5
721.38678	1.1
731.43280	1.3
893.48627	100.0
894.48920	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.6
67.05510	3.5
68.19920	0.3
69.03438	2.4
69.07066	2.1
71.01379	0.4
71.04996	0.8
71.28109	0.3
73.02923	2.4
79.05500	3.7
81.03420	1.6
81.07066	5.4
82.03774	0.3
82.07448	0.3
83.04962	1.4
83.08620	1.7
85.02901	3.9
86.09686	0.5
91.03949	1.6
91.05488	2.5
93.07051	3.5
94.07400	0.5
95.04959	2.8
95.08599	2.3
97.02895	3.0
97.06526	0.3
97.10183	0.7
99.04481	1.3
101.02383	1.4
105.07051	2.7
106.07349	0.3
107.04971	1.3
107.08594	2.5
109.02885	0.6
109.06541	1.0
109.10173	0.8
111.04442	1.4
111.08133	0.7
115.03955	0.4
115.05439	0.4
117.07043	0.9
119.08603	2.7
121.06471	1.4
121.10156	1.9
123.08099	1.3
125.09631	0.3
127.03924	0.6
129.07040	0.6
131.08566	1.8
133.06503	0.4
133.10184	1.3
135.07994	0.3
135.11722	0.5
137.09691	0.4
138.04861	0.3
143.08603	0.5
145.10124	1.4
147.08119	0.7
147.11650	0.6
149.09630	1.7
157.10167	0.7
159.11774	0.4
161.09651	0.5
163.11206	1.9
165.12697	0.3
173.09668	0.3
175.11227	0.3
184.07469	0.9
185.04205	0.3
194.88893	0.3
203.05351	0.4
218.83258	0.3
223.13338	0.6
243.08368	2.6
275.20209	0.8
276.20734	0.4
291.19473	0.4
331.18918	1.1
332.91159	0.3
333.20505	1.3
350.24039	0.3
351.73767	0.3
387.21582	0.7
389.23129	0.7
549.26636	3.1
550.27130	0.4
551.28259	7.4
552.28577	0.7
585.24414	3.6
586.25256	0.4
678.41296	0.3
680.40906	0.5
703.41400	0.4
719.39264	0.4
859.48071	3.6
860.48212	0.5
895.45746	100.0
896.45978	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	895.458
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61497	0.2
65.03955	0.6
67.05505	3.8
68.05857	0.3
69.03428	2.6
69.07072	2.2
71.01353	0.3
71.05002	0.8
71.28271	0.2
73.02914	2.6
79.05491	3.8
81.03436	1.3
81.07056	7.4
82.07407	0.4
83.04996	0.8
83.08623	1.2
85.02904	4.2
85.06552	0.4
91.03960	2.0
91.05482	3.1
92.05817	0.3
93.07043	3.1
95.04984	1.0
95.08604	2.3
97.02892	3.2
97.06543	0.8
97.10188	0.4
99.04491	0.6
101.02377	1.8
103.03962	0.2
105.07029	3.1
107.04985	1.0
107.08598	1.6
109.02893	0.6
109.06527	1.0
109.10184	1.1
111.04449	0.6
111.08075	0.3
115.03992	0.3
117.07051	0.7
119.08594	2.2
120.08902	0.2
121.06538	0.7
121.10152	1.4
123.08106	1.0
123.11753	0.6
125.09672	0.4
127.03903	1.0
129.07033	0.5
131.08540	1.3
133.10110	1.0
135.08084	0.5
135.11728	0.7
137.09669	0.4
143.08641	0.3
145.10162	0.9
147.08037	0.3
147.11671	1.5
149.09682	0.6
149.13312	0.4
151.11221	0.3
157.10191	0.5
159.11731	0.6
161.13321	0.3
163.11172	0.3
169.10167	0.3
171.11766	0.4
173.13306	0.3
175.11188	0.4
177.12779	0.3
184.07420	0.5
185.04230	0.6
203.05322	0.6
212.79066	0.2
213.04825	0.2
241.06758	0.3
243.08412	3.1
243.10617	0.3
259.49365	0.2
273.18704	0.5
275.20190	0.6
276.20477	0.3
291.19565	0.2
303.19400	0.3
313.09094	0.4
315.10406	0.5
331.18719	1.6
333.20285	1.7
367.16748	0.4
368.25305	0.3
369.15244	0.4
371.16995	0.3
374.16833	0.3
387.21225	0.4
389.23187	0.7
423.19791	1.0
425.21487	0.3
481.20465	0.6
549.26807	2.6
550.26355	0.2
551.28259	9.0
552.28833	0.9
553.29230	0.2
585.24243	2.3
585.32147	0.3
621.29437	0.4
672.19873	0.3
724.39978	0.3
725.40381	0.5
751.41486	0.5
767.37512	0.3
859.47815	2.0
876.93134	0.3
895.45679	100.0
896.45972	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	898.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03974	1.1
65.36932	0.8
67.05508	36.4
68.05827	1.0
68.92800	0.7
69.03422	2.1
69.07072	9.6
70.14014	1.0
71.05000	14.1
71.08636	20.6
73.02917	2.4
79.05488	8.1
81.03415	1.8
81.07062	67.8
82.07397	1.5
83.04984	2.9
83.08630	13.2
85.02914	8.6
85.06545	7.1
85.10184	12.7
91.03957	5.8
91.05486	12.6
91.62066	0.9
93.07045	9.0
95.04923	1.0
95.08604	24.1
97.02883	3.5
97.06519	1.6
97.10172	5.4
98.22588	2.1
99.04458	1.0
99.11741	1.1
105.07037	6.0
107.08600	7.0
109.10165	13.7
111.08103	1.4
111.11714	1.0
117.07072	1.1
121.10145	1.9
123.08085	0.8
123.11716	15.0
127.03984	1.9
131.08583	1.4
133.10132	12.6
135.11720	2.3
137.13251	1.8
145.05029	1.4
149.13290	2.8
151.11192	6.0
159.11737	1.3
163.06036	2.3
169.12265	1.1
177.12799	1.5
183.13860	1.5
184.07399	1.5
187.13364	4.6
187.14703	0.8
195.13901	1.3
239.23630	1.5
243.15868	1.0
257.17569	1.9
257.24854	1.0
269.17511	5.3
270.17853	0.8
301.20078	11.3
313.27386	23.6
314.27789	1.9
335.25980	1.1
469.59961	1.0
481.38892	78.6
482.39270	7.5
490.08960	0.9
495.40121	2.5
507.40475	7.1
526.67383	0.9
539.43073	100.0
540.43390	12.5
606.00940	0.8
625.12506	0.8
625.52899	0.9
683.46936	1.3
875.88434	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	898.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	41.7
69.03442	2.5
69.07069	8.3
71.04990	19.2
71.08636	23.9
71.30041	2.0
73.02921	2.0
75.91034	1.4
79.05490	8.2
81.03441	2.1
81.07061	68.0
82.07388	1.8
83.08637	10.3
85.02906	9.6
85.06545	6.0
85.10183	11.9
86.09721	4.4
91.03947	5.7
91.05465	10.6
93.07028	10.4
95.04968	2.5
95.08611	21.6
97.02909	2.9
97.06565	2.4
97.10179	6.0
105.07052	5.5
107.08596	8.0
109.10158	13.9
117.06987	2.2
121.10146	2.3
123.11713	13.1
125.00052	4.7
133.10143	14.0
137.13234	2.0
145.05060	1.9
149.13239	3.3
151.11176	7.7
159.11659	2.9
163.05980	1.8
183.13869	2.1
184.07362	13.6
187.13365	4.8
212.89178	1.9
229.77472	1.9
239.23708	3.0
239.57324	1.7
257.17664	1.8
269.17493	6.1
286.92084	1.9
298.09708	2.0
301.20090	17.5
307.85013	1.6
313.27426	17.3
320.19083	1.7
431.48053	1.8
471.06531	1.7
481.38882	71.2
482.39191	8.6
495.39871	2.3
507.40491	5.7
539.43091	100.0
540.43610	10.4
614.51929	2.2
835.08661	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	899.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.4
67.05501	0.4
68.99789	6.1
70.64444	0.2
70.89381	0.3
77.03934	0.4
78.21884	0.2
79.01855	4.7
81.03411	0.4
91.05490	0.7
95.01321	0.3
95.04950	0.7
97.02885	0.8
103.05430	0.3
105.03394	0.8
107.01280	1.2
109.02872	0.7
111.00807	4.7
111.04427	0.4
115.05445	0.7
117.07032	0.4
119.04934	0.8
121.02843	0.6
121.64732	0.2
123.04430	34.4
124.04761	0.7
125.02353	2.6
127.03918	5.1
128.06149	0.2
129.07013	0.6
131.04930	0.6
133.02849	0.8
133.06488	0.6
135.04427	0.9
137.02341	0.5
139.03905	16.8
140.04283	0.4
141.01849	0.3
141.06987	0.5
143.03404	6.0
143.04709	0.3
145.06497	1.0
147.04411	6.7
149.02388	1.3
149.06004	0.6
150.03110	0.5
151.03908	14.3
152.04269	0.5
153.01830	100.0
153.02902	5.6
154.02158	2.8
155.03419	0.4
155.04898	0.9
157.06471	1.3
159.04420	0.8
161.02350	0.4
161.05977	1.6
163.03891	4.3
163.07487	0.2
165.05519	1.2
167.03448	0.4
167.04831	0.4
169.06485	0.8
171.04375	2.7
173.05995	2.1
175.03905	8.8
177.01926	0.5
177.05482	2.9
179.03389	6.5
181.05023	0.3
181.06523	0.3
183.04489	1.3
185.05992	2.2
187.03880	1.5
189.05460	4.3
190.05809	0.4
191.03380	1.7
192.24817	0.3
193.04944	2.3
195.04362	0.5
197.06015	1.9
199.03909	5.6
200.04358	0.5
201.05472	3.8
202.05881	0.3
203.03392	12.5
204.03702	0.5
205.04918	0.5
211.03867	1.5
213.05469	6.2
215.03441	1.0
215.06934	0.4
217.04961	4.5
218.05452	0.4
219.03053	0.3
219.06549	1.8
223.02162	0.5
223.03952	0.7
225.05493	1.5
227.03351	1.7
227.06941	0.3
229.04976	3.9
231.06520	1.8
233.04411	1.7
237.05515	0.7
239.03030	0.3
241.04996	4.5
242.05418	0.4
243.06464	0.9
245.04459	10.4
246.04863	0.5
247.05974	0.6
251.03445	0.4
253.04979	1.4
255.06479	0.7
257.04459	6.3
258.04938	0.7
259.05991	2.0
263.05508	4.1
265.04941	0.5
269.04474	6.5
270.04828	0.5
271.06009	6.0
272.06439	0.4
273.04715	0.4
273.07492	2.0
275.05490	7.2
275.95206	0.2
276.05710	0.3
281.04459	0.9
283.03082	0.2
283.06055	1.0
285.03952	0.4
287.05487	96.9
288.05804	5.6
289.06870	0.3
291.08569	1.1
295.06012	0.4
297.03851	0.8
299.05499	17.0
300.05945	1.1
303.04831	1.3
305.06580	1.6
311.05423	2.0
312.06091	0.3
315.04990	0.6
317.06570	1.2
331.04532	1.7
332.04755	0.3
407.07574	0.8
409.09204	6.8
410.09442	0.7
421.09512	0.5
425.08664	17.4
426.08914	1.7
427.10284	1.0
433.09393	1.3
437.08615	0.5
443.09567	0.4
457.07578	0.3
559.12152	0.5
579.11316	0.8
595.11011	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	899.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.1
68.99791	3.8
69.40272	1.5
72.66232	0.2
77.03918	0.3
79.01852	4.2
81.03423	0.7
82.80055	0.2
89.86340	0.3
91.05520	0.3
93.03416	0.3
95.04964	0.3
97.02923	0.9
105.03412	0.3
107.01316	0.9
107.04916	1.3
109.02898	0.4
111.00820	2.8
111.04464	0.6
115.05448	0.4
117.03388	0.4
117.07032	0.5
118.05528	0.3
121.02878	1.4
123.04434	10.6
125.02396	2.0
127.03927	3.8
129.06998	0.6
131.04910	0.5
133.02921	0.5
135.00771	0.4
135.04410	3.8
137.02377	1.5
139.03908	40.4
140.04268	0.9
141.07024	0.7
143.03406	4.9
143.04559	0.4
143.04958	0.4
145.02870	0.5
145.06459	0.6
147.04433	1.3
149.02345	0.9
151.03914	4.3
153.01834	100.0
154.02174	2.0
155.04927	1.2
157.06514	0.6
159.04420	0.9
161.02316	0.5
161.05965	0.8
163.03915	16.0
164.04266	0.6
165.06993	0.5
169.06549	1.2
171.04344	0.5
173.02365	0.9
173.05968	3.4
175.03918	1.5
175.07498	0.4
177.05466	1.3
179.03401	16.9
181.04973	0.5
181.06471	0.5
183.04439	1.8
185.05971	1.4
187.03879	2.8
187.07611	0.4
187.50935	0.3
189.05482	0.6
191.03427	0.8
191.07066	0.6
193.05005	0.4
193.06494	0.3
195.04492	0.4
197.05986	2.7
199.03934	1.1
199.07526	0.4
200.04642	0.4
201.05470	5.0
203.03391	3.3
203.07056	1.6
205.04965	2.2
207.02950	0.3
209.06042	0.7
211.03928	0.6
211.07495	0.3
213.05432	2.3
215.03429	0.7
215.07080	0.9
217.05000	1.1
219.06532	0.9
221.06055	2.1
222.06642	0.3
223.04012	0.3
225.05444	2.6
227.03529	0.3
227.07021	0.4
229.04959	7.9
231.06633	0.5
237.05508	1.0
239.07062	0.9
241.05000	1.7
243.06668	1.4
245.04413	1.9
247.06026	27.2
248.06351	1.1
249.05507	1.2
253.04956	2.9
254.05179	0.3
255.06566	2.1
257.04520	2.6
258.05148	0.3
259.06052	1.4
263.05707	0.8
265.04932	0.6
266.05594	0.4
267.06464	1.9
269.04459	2.0
271.06015	62.3
272.06390	2.5
275.05466	1.4
277.04922	1.3
281.04526	0.3
283.06021	7.6
284.06833	0.3
285.07480	0.4
287.05502	11.4
288.05948	0.7
289.07059	4.1
291.05020	0.5
295.02698	0.5
295.06015	10.4
296.06378	0.5
299.05484	3.2
301.07056	2.4
303.04688	0.6
311.05466	2.4
313.07095	2.5
313.90527	0.3
315.04922	2.1
319.07999	0.8
331.04483	13.8
332.05081	0.6
355.04382	0.6
403.07962	0.3
405.09723	0.4
407.07562	1.2
409.09189	4.5
410.09268	0.3
421.09171	4.7
425.08774	1.9
427.10101	0.9
433.09128	3.3
437.08594	0.9
441.08249	1.3
449.08829	0.4
451.10352	0.9
514.46832	0.3
559.12201	1.9
663.08527	0.4
729.14697	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	899.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.3
67.05499	0.5
68.99791	6.3
69.06673	2.2
70.06604	0.5
71.01389	0.2
77.03940	0.7
79.01852	2.0
79.05482	0.3
81.03415	0.4
84.16436	0.2
87.97501	0.2
91.05482	0.5
91.20235	0.2
95.04977	1.1
97.02863	0.5
103.05450	0.3
105.03381	1.1
105.74483	0.2
106.60907	0.2
107.01317	0.7
107.04912	0.5
109.02877	0.6
111.00803	4.2
111.04472	0.6
115.05424	0.4
119.04948	0.7
121.02897	0.5
123.04433	41.0
124.04767	1.1
125.02404	1.2
125.03142	0.2
127.03915	2.3
128.06322	0.3
129.07024	0.3
131.04898	0.5
133.02863	1.0
133.06526	0.4
134.03708	0.2
135.00757	1.2
135.04431	0.8
137.02327	0.5
137.05919	0.3
139.03905	10.9
140.04352	0.2
141.06979	0.5
143.03401	2.4
143.04985	0.3
145.02835	0.3
145.06502	0.6
147.04393	3.3
149.02359	1.0
151.03911	3.7
153.01833	38.7
153.02902	2.1
154.02127	1.1
155.04927	0.4
157.06505	0.9
159.04416	0.8
161.06033	1.1
163.03909	5.3
165.01910	0.3
165.05499	0.6
165.06856	0.2
167.07007	0.3
169.06517	0.7
171.04405	4.6
173.02354	0.3
173.06017	1.8
175.03877	3.0
177.01846	0.3
177.05470	1.7
179.03391	9.4
181.06482	0.8
183.04390	0.6
185.05977	2.2
187.03850	0.7
189.05481	3.2
190.05603	0.3
191.03439	0.7
191.06996	0.3
193.04993	0.8
195.04405	0.5
197.05988	1.3
199.03917	9.6
200.04305	0.4
200.38440	0.3
201.05473	3.9
203.03400	6.6
209.05992	1.1
211.04004	0.3
213.05463	5.9
214.05978	0.3
215.03366	0.6
217.04964	6.0
218.05640	0.3
219.04538	0.5
219.06488	3.7
223.03894	0.8
225.05473	0.8
227.03392	2.5
227.07047	0.3
229.04936	1.8
231.06445	1.3
233.04448	0.4
235.05914	0.3
237.05455	2.8
240.04208	0.3
241.04958	4.9
242.05519	0.4
243.06621	0.7
245.04451	12.4
246.04759	0.5
253.04929	1.1
255.06561	0.9
257.04422	2.5
258.05173	0.3
259.06009	2.7
263.05518	15.4
264.05817	0.8
265.04956	2.4
266.05505	0.5
267.06601	0.3
269.04459	6.6
271.06006	2.8
273.07632	1.6
275.05569	1.2
281.04483	0.7
282.05087	0.3
283.05981	2.4
287.05499	100.0
288.05847	5.0
293.04459	1.2
297.07581	1.0
299.05515	7.4
300.05829	0.4
303.05008	1.9
305.06558	0.5
311.05490	16.4
312.06018	1.2
317.06656	0.5
323.05560	0.3
329.06567	0.5
331.04449	2.7
391.08096	0.3
407.07547	0.5
409.09238	2.2
419.07584	0.4
425.08612	2.4
426.09000	0.3
427.10187	0.3
433.09338	2.9
437.03189	0.4
437.08646	4.9
438.08652	0.3
449.08069	0.3
451.10251	1.0
473.69702	0.3
559.12512	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	900.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02364	0.7
65.03948	0.6
67.01855	2.5
69.21079	1.5
69.21498	2.6
71.04998	0.5
74.76996	0.4
78.04742	0.6
81.03426	4.7
85.02911	1.0
89.03919	5.0
91.05486	5.1
97.02916	0.6
97.23332	0.4
99.04455	1.6
109.02873	7.7
113.61387	0.5
117.03387	15.7
119.04951	11.9
127.03928	10.4
133.64841	0.5
134.03661	0.8
135.04419	0.7
145.02853	43.6
146.03233	1.5
147.04413	80.0
148.04744	2.2
149.05962	5.2
155.97285	0.5
177.05475	100.0
178.05811	3.8
229.08678	0.6
255.06610	1.4
266.80878	0.6
268.69022	0.5
273.07574	15.5
274.07846	0.7
285.07474	1.1
303.08640	18.0
304.08826	1.2
363.10641	3.3
381.11810	1.5
485.14432	15.7
486.14545	0.8
501.42636	0.5
723.36279	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	900.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	2.4
67.05507	30.2
69.03421	5.2
69.07075	10.8
71.01364	2.7
71.05003	3.7
79.05493	30.5
81.03420	55.5
81.07058	27.5
83.04996	6.3
83.08635	16.1
85.02918	4.0
85.06529	3.2
91.04913	2.7
91.05479	36.1
93.07043	19.2
95.01342	6.8
95.04978	21.7
95.08604	9.0
96.37054	2.1
97.02898	7.5
97.06548	4.6
97.10175	6.9
98.23394	4.0
103.05460	2.6
105.07026	19.8
107.04953	17.2
107.08591	11.3
109.02876	5.3
109.06531	8.4
109.10177	11.5
111.04468	2.7
111.08087	6.9
115.05505	2.6
117.07021	8.4
119.04957	4.6
119.08592	14.2
121.02876	2.3
121.06532	11.1
121.10169	7.6
123.04449	7.0
123.08092	3.2
125.09637	7.1
128.06213	4.1
129.07007	15.4
129.97255	1.9
131.04913	5.0
131.08583	16.3
133.06523	5.3
133.10143	15.2
135.04424	5.1
135.08073	6.2
135.11734	3.4
135.19231	2.1
137.05965	2.9
137.09633	2.7
141.06972	2.8
142.07782	4.1
143.08536	4.4
145.06522	6.4
145.10121	7.5
147.04370	10.5
147.08043	9.1
147.11720	6.1
149.05957	4.5
149.09642	7.7
151.03940	5.9
155.08571	3.7
157.06480	3.8
157.10130	15.2
159.08028	2.6
159.11665	5.7
161.05975	5.6
161.09616	7.3
163.03925	3.2
163.11172	5.5
165.12782	2.5
169.05081	2.8
169.06493	3.6
169.10130	3.6
171.08057	6.1
171.11641	3.0
173.05975	4.2
173.09636	2.4
173.11842	2.3
175.03972	7.3
175.07539	2.3
175.11201	9.0
177.12807	2.9
179.08598	2.8
179.10564	3.1
181.10207	4.1
185.09721	2.5
185.13013	2.0
187.11188	3.7
189.05577	3.0
189.09158	4.1
191.03342	3.2
191.10611	2.5
192.95897	2.3
193.12283	17.2
195.08125	2.7
197.06065	2.4
199.07549	2.4
199.11250	1.9
205.12212	4.0
211.13283	4.9
215.10568	3.9
217.12270	2.7
223.11337	2.4
225.11192	2.6
225.14877	2.4
227.12752	2.9
241.12395	2.7
243.10081	2.4
251.10751	2.7
259.13440	3.0
267.13232	4.3
267.15936	50.7
269.11682	4.7
271.13480	2.9
273.14981	2.4
279.13101	2.0
287.12857	8.2
289.14545	3.2
299.15076	14.6
305.14053	3.7
311.12839	2.3
315.12354	4.2
318.40353	2.0
333.13336	4.4
334.40225	2.3
351.14502	4.4
367.22571	2.8
373.21359	2.3
374.65076	2.2
385.16190	2.8
401.21194	2.7
405.20435	2.3
407.17014	6.8
419.22229	3.3
425.17749	4.5
437.23102	2.6
443.19168	6.0
447.21341	4.3
459.27310	5.6
463.25922	2.3
465.22537	5.2
473.25314	3.7
483.23666	2.7
491.26398	23.8
492.26758	2.3
513.25562	2.3
521.25366	2.5
525.24194	2.7
527.25909	2.7
539.26355	37.1
540.26868	4.0
545.27142	4.7
557.27466	100.0
558.28113	10.9
573.30560	2.8
575.28674	26.0
581.27319	8.7
599.28412	32.5
615.27393	3.2
617.29474	74.1
618.29547	9.0
635.30560	40.0
636.30444	5.7
653.30688	7.0
761.32788	3.8
779.34381	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	900.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03961	2.1
67.05513	38.2
69.03416	8.9
69.07072	6.3
70.64850	3.6
71.04996	9.1
73.02934	2.1
75.56097	1.5
76.36715	1.7
79.05499	38.5
80.59109	2.0
81.03422	100.0
81.07061	41.8
83.04986	18.4
83.08623	30.1
83.43964	1.9
85.02904	26.2
85.06562	3.8
90.97456	1.5
91.05489	51.7
93.07050	26.3
93.08928	1.8
95.04974	36.0
95.08615	15.6
97.02901	11.7
97.06548	5.9
97.10168	7.5
99.08062	2.6
105.07042	39.0
107.04947	14.8
107.08590	14.1
109.02888	3.9
109.06522	8.3
109.10170	6.6
111.04460	7.7
111.08093	17.9
113.06052	3.0
115.05442	3.9
117.07041	4.5
119.08591	27.9
121.06488	4.4
121.10152	13.6
123.08078	5.1
123.11724	2.4
125.09650	4.5
127.03902	2.0
129.07005	15.9
131.08566	20.6
133.06494	5.1
133.10132	20.9
135.11642	2.5
137.09599	2.9
142.07832	3.8
145.06438	3.0
145.10127	4.8
147.08034	6.0
147.11705	25.4
149.09639	9.7
157.10130	18.6
163.11165	3.6
165.12793	4.8
173.04431	2.2
175.11208	20.8
181.12152	2.6
193.12257	48.9
194.12521	2.6
195.72704	2.1
211.13309	54.2
229.14302	3.3
249.14923	3.5
267.15918	70.2
268.16284	5.2
283.15222	1.9
285.16965	39.3
286.17334	2.3
299.00049	1.9
299.14862	4.4
355.17383	2.0
367.22638	3.3
385.23691	6.2
403.24823	2.0
411.20169	5.7
429.21094	11.9
433.25967	5.0
445.25742	4.1
459.27414	52.5
460.27844	5.8
477.28506	49.2
478.28922	5.2
488.58289	2.1
491.26465	4.0
495.29520	66.3
496.29745	6.0
519.29193	2.4
585.31250	2.8
603.31586	2.7
621.32233	10.3
639.33759	33.5
640.34320	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	900.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.0
67.05507	37.2
68.05838	0.9
69.03413	2.3
69.07072	8.2
71.04983	1.9
71.08632	1.1
73.02926	1.4
79.05495	48.0
81.03407	4.3
81.07060	36.3
81.56132	0.9
83.04987	7.8
83.08631	6.0
83.96136	0.8
85.02901	4.7
85.06545	2.0
91.03951	2.5
91.05482	33.4
93.07043	47.5
94.07357	1.1
95.04965	12.9
95.08608	26.2
97.02904	3.4
97.06529	2.7
97.10142	1.8
104.84518	0.8
104.94109	0.8
105.04559	1.1
105.07032	24.3
107.04926	2.9
107.08599	16.1
109.06539	4.1
109.10154	8.2
111.08057	1.4
117.07016	6.3
119.08582	15.9
121.06502	2.2
121.10151	6.4
121.63412	0.8
123.08054	3.6
123.11691	2.0
125.09641	0.9
127.03857	0.8
128.06194	1.6
129.07005	6.8
131.08583	4.3
133.10127	8.8
135.11723	5.6
137.09583	1.2
143.08536	5.9
145.10112	7.5
147.08011	1.8
147.11696	19.8
149.13185	2.0
159.11668	3.0
161.09576	1.8
161.13245	7.0
163.11182	1.8
163.14760	0.9
171.11676	13.5
173.13232	1.1
184.07372	1.0
189.12747	5.2
207.13792	15.9
233.40694	0.9
243.21144	1.7
246.57930	0.9
261.22141	4.7
267.15820	1.1
274.77905	0.9
275.19980	0.9
279.15704	1.9
281.17474	55.5
282.17834	2.6
317.24567	1.7
335.25812	44.2
336.26233	2.5
349.23505	1.1
449.34042	1.5
467.35287	1.6
523.38995	1.7
541.38873	100.0
542.39209	10.8
559.39532	2.1
719.66296	1.1
934.49792	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	900.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.4
67.05505	41.0
69.03425	2.1
69.07072	8.3
71.05011	1.1
71.08633	1.1
73.02934	1.0
73.06555	1.0
77.03915	0.8
79.05495	45.0
80.05827	1.0
81.03413	5.0
81.07055	37.9
82.07399	1.0
82.53681	0.6
83.04995	6.4
83.08613	6.6
85.02908	3.5
85.06556	2.0
86.09731	1.1
91.03969	2.8
91.05482	34.4
92.05794	0.7
93.07043	48.6
94.07402	1.2
95.04970	10.5
95.08606	31.7
97.02899	2.9
97.06549	3.3
97.10184	2.8
103.05496	1.3
105.04555	1.4
105.07031	22.9
107.04259	0.6
107.04950	3.6
107.08594	17.3
107.09281	1.1
109.06535	3.2
109.10161	9.2
111.08089	1.3
117.07022	6.9
119.08581	14.2
121.06519	2.1
121.10152	8.7
123.08079	3.2
123.11730	2.6
129.05565	0.9
129.07008	7.2
131.08586	5.6
133.10124	8.6
135.11716	5.2
137.09697	0.9
143.08582	3.7
145.10118	6.7
147.08105	1.4
147.11682	17.8
149.13307	2.8
159.11703	2.5
161.09604	1.9
161.13242	4.4
163.14766	1.1
171.11703	11.6
173.13263	1.6
184.07394	2.6
189.12776	3.3
191.97050	0.7
207.13800	10.1
243.21100	1.5
249.61095	0.7
251.45071	0.7
259.20621	0.8
261.22208	3.4
279.15915	2.3
281.17471	27.1
282.17810	1.9
313.27527	1.5
335.25793	39.8
336.26260	1.9
541.38873	100.0
542.39136	9.3
559.39618	1.2
887.22235	0.7
900.46881	1.6
901.48401	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	901.216
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80479	0.5
63.80831	0.4
69.72292	1.7
98.23283	0.8
119.08741	0.5
119.25256	0.5
121.06562	0.6
145.02853	0.7
147.04445	1.5
177.05508	1.3
253.11044	0.6
304.70370	0.6
387.06866	0.7
553.11182	2.1
841.20038	0.9
901.21606	100.0
902.21863	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.496
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43482	0.7
67.05511	20.2
67.22140	0.8
69.03407	1.4
69.07072	3.8
71.05003	8.1
71.29320	1.3
79.05503	11.8
81.02985	1.4
81.03426	16.9
81.03911	0.9
81.07060	30.7
83.04979	2.8
83.08637	5.9
85.02918	2.5
85.06555	3.2
86.86908	0.9
91.04031	0.8
91.05488	14.6
93.07045	9.4
95.04973	11.1
95.08618	7.2
97.02923	1.1
97.06538	2.8
97.10144	3.6
105.07031	10.0
106.88341	0.9
107.04960	7.9
107.08605	6.9
109.06522	7.7
109.10169	4.9
111.08086	2.4
113.50683	0.9
117.07033	4.3
119.08595	6.1
121.06504	7.1
121.10148	4.5
123.04462	1.0
123.08092	2.0
123.11695	4.3
125.09669	4.1
129.06999	3.6
131.04950	1.5
131.08591	7.8
133.06480	1.4
133.10156	7.4
133.39679	0.7
135.08084	2.3
135.11673	2.1
137.09644	0.8
141.06990	1.0
142.13927	0.7
143.08571	2.2
145.06483	2.6
145.10138	3.2
147.08037	2.5
147.11696	3.6
149.09628	2.8
149.13245	1.6
151.11205	3.5
157.10141	3.3
159.08141	0.8
159.11732	2.9
161.09641	1.2
161.13222	1.0
163.11238	2.7
165.12685	0.8
171.11682	2.1
173.13354	2.3
175.11232	3.0
177.12766	1.7
183.11662	1.3
187.13403	1.5
189.11205	1.1
189.12755	1.2
191.14301	2.2
193.12297	3.4
197.13091	0.8
201.12790	0.8
205.12245	1.3
219.13847	3.2
227.14490	0.8
231.13817	0.8
233.15331	0.8
257.17639	1.0
258.85828	0.7
267.15915	7.0
269.17575	0.8
275.16446	1.4
275.20175	1.5
297.21967	0.7
301.14594	1.3
301.20160	2.7
315.23044	1.0
325.21649	1.6
343.22754	3.8
351.23221	1.2
361.23981	2.1
369.24329	2.5
387.25305	1.2
417.26419	2.6
425.26895	1.8
435.27423	10.9
443.27982	7.6
461.28979	100.0
462.29419	7.4
475.30634	1.1
493.31653	2.7
499.54541	0.8
569.30927	1.4
587.32440	1.1
601.33752	1.4
605.33002	1.8
619.34332	1.3
637.35480	0.8
777.57428	0.8
902.44781	1.8
903.40765	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	902.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.7
65.75881	0.9
67.05511	49.4
67.78360	1.0
68.05838	0.9
69.03422	3.5
69.07078	13.9
71.01350	1.6
71.04995	5.1
71.08635	1.0
73.02910	5.1
76.05845	0.9
77.03931	1.3
79.05499	42.6
81.03422	21.8
81.07062	58.7
82.03764	1.4
82.07402	1.9
83.01357	7.6
83.04978	10.1
83.08615	17.8
85.02911	20.4
85.06545	1.9
87.04456	1.0
89.81508	1.0
91.03954	12.6
91.05487	27.9
92.05811	1.1
93.07050	46.7
95.04979	12.3
95.08614	32.5
96.08954	1.0
97.02894	10.4
97.06543	8.5
97.10181	6.9
99.04457	3.2
99.08094	2.1
105.07035	24.0
106.07357	1.4
107.04968	10.4
107.08602	24.3
108.08923	1.0
109.02870	1.1
109.06519	11.4
109.10162	15.4
111.04479	2.7
111.08083	3.7
115.05471	0.9
117.07043	12.6
119.08589	20.7
121.06512	5.5
121.10145	20.8
123.08078	8.0
123.11723	5.6
125.06003	1.7
125.09624	5.5
127.03874	5.2
128.06165	0.9
129.07011	4.0
130.07805	1.7
131.08569	14.1
131.09483	1.5
133.06505	1.6
133.10138	10.7
135.08061	3.3
135.11694	19.2
137.09636	3.1
137.13269	1.5
139.11172	1.1
143.08575	2.3
145.04993	4.9
145.06479	1.7
145.10130	21.0
147.08041	3.5
147.11700	7.7
149.09602	5.5
149.13232	5.1
151.11226	1.2
153.12761	3.7
155.08528	2.2
156.61130	1.1
157.10135	2.3
159.11703	6.1
161.13246	4.8
163.06001	5.7
163.11197	23.4
163.14825	3.4
169.10188	1.2
171.11798	1.5
173.09634	3.5
173.11893	1.1
173.13278	4.3
175.11227	2.8
175.14813	1.3
177.12756	2.3
179.14183	1.1
181.12245	4.1
183.11626	2.0
185.13261	1.6
187.14830	2.9
189.11223	2.7
191.10710	2.4
193.12273	5.8
201.16415	1.4
205.10312	1.0
209.11729	6.6
211.13193	2.4
227.12787	16.2
227.17848	1.3
229.14299	1.6
243.21082	5.0
257.18970	1.7
259.20584	2.4
261.22168	15.0
267.15903	19.3
268.16299	2.7
273.18497	2.5
275.20074	13.2
276.20395	1.9
282.70999	0.9
283.15417	100.0
284.15756	3.4
291.19592	3.5
292.19907	1.3
293.21014	2.8
299.23724	5.0
313.27310	1.0
314.27661	1.9
315.23352	1.0
317.24875	4.7
333.24222	1.4
335.25827	68.5
336.26157	4.0
347.22055	2.1
349.23685	7.3
365.23120	1.4
367.24191	1.2
383.24658	1.0
397.24393	1.5
433.30890	2.9
451.31961	3.2
463.30414	5.1
467.31094	1.2
469.33084	3.5
487.34097	1.7
503.33762	2.1
505.39175	1.2
506.39069	1.6
507.39862	2.3
515.37109	1.1
525.35413	4.3
541.35468	7.2
543.36835	63.7
544.36859	4.5
559.36334	4.8
561.38123	4.8
607.37732	1.4
623.42261	2.0
641.43945	1.3
655.42224	6.6
687.41364	2.1
902.48279	1.7
903.48657	3.1
910.21478	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	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.6
67.05507	72.9
68.05821	1.3
69.00530	2.3
69.00931	7.5
69.03416	4.7
69.07072	21.7
71.05003	12.0
71.08640	0.9
73.02906	1.8
79.05496	58.2
80.05828	1.1
81.03437	8.5
81.07060	80.1
82.07407	1.7
83.04996	7.6
83.08621	17.1
84.08952	1.0
84.24400	1.0
85.02905	5.1
85.06552	3.4
85.18066	1.0
91.03949	2.9
91.05482	39.8
93.07045	71.9
95.04984	12.0
95.08608	66.6
95.09238	1.6
96.08956	1.6
97.02894	5.8
97.06517	7.7
97.10181	4.7
99.04457	4.1
99.08094	2.7
103.05460	1.2
104.04327	1.1
105.04534	1.9
105.07033	32.1
107.04959	12.7
107.08598	45.9
108.08981	1.1
109.02858	1.4
109.06521	11.1
109.10149	23.2
110.10547	1.0
111.04417	1.8
111.08057	5.0
113.09624	1.7
116.06254	1.5
117.07021	17.1
119.08585	26.0
121.06485	8.5
121.10144	28.9
122.10507	1.4
123.08071	3.9
123.11710	6.3
125.05998	3.7
125.09655	3.2
127.03993	1.0
129.05435	1.1
129.07039	2.9
130.07764	2.3
131.08574	14.5
131.49304	0.9
133.06465	1.3
133.10132	16.6
135.08107	5.6
135.11688	44.9
136.12019	1.8
137.09618	3.2
137.13252	1.7
139.07544	1.7
139.11179	1.1
143.08574	4.3
145.06532	1.0
145.10126	33.1
147.08040	1.5
147.11711	9.3
149.09631	7.3
149.13263	7.7
151.11191	3.4
153.12709	1.3
155.08546	2.7
157.10132	3.0
159.08057	1.3
159.11667	8.9
161.09627	3.0
161.13239	3.9
163.11189	47.2
163.14830	1.3
164.11525	2.2
165.12700	1.7
169.10078	1.1
171.11679	2.4
173.09471	1.0
173.11772	2.2
173.13242	5.0
175.11163	1.2
177.12747	1.5
181.12283	8.2
183.11649	1.6
184.07309	1.4
185.13312	1.1
187.14812	1.8
189.11252	1.2
189.12807	1.4
193.12285	1.6
195.13722	1.4
201.12756	1.2
209.11673	1.3
227.12793	55.0
228.12979	1.2
229.14345	4.0
229.19429	2.0
239.18040	1.9
243.21053	2.0
247.20718	1.7
251.16403	1.7
253.14287	1.4
257.18958	3.7
261.22156	9.1
263.16647	1.1
267.15872	2.8
269.17493	2.4
275.20050	22.5
276.53931	1.0
283.15414	54.4
284.15726	1.9
289.17984	1.5
289.21573	1.0
291.19653	1.1
293.21042	3.0
307.19055	1.0
307.22571	1.5
317.24808	2.0
320.83301	1.1
331.22678	1.5
335.25803	100.0
336.26093	6.0
349.23737	16.9
367.24597	3.7
381.22354	2.6
381.26666	4.7
382.22659	1.3
405.25400	1.1
413.21695	2.3
503.33438	3.8
519.07489	1.0
521.34149	1.3
525.35669	1.1
533.42981	1.1
535.36261	3.1
543.36804	98.8
544.37122	8.8
561.37750	3.0
575.39392	32.3
576.39319	3.6
623.42786	3.8
641.44025	3.3
655.44366	5.6
673.44000	2.4
687.39966	1.8
705.41718	2.6
719.42639	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	902.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24315	0.8
64.38448	0.9
64.96411	0.7
65.03936	2.7
66.04689	0.8
67.05508	54.9
68.05856	0.9
69.03421	3.3
69.07070	15.6
71.04991	6.5
71.08639	0.8
71.28339	1.1
73.02897	1.8
77.03909	1.7
79.05495	51.0
81.03430	6.7
81.07059	61.9
81.83960	0.8
82.07384	1.2
83.04987	5.6
83.08622	16.4
85.02919	5.0
85.06546	2.3
91.03946	3.1
91.05480	28.8
93.07046	60.3
94.07397	1.1
95.04967	12.5
95.08607	63.5
96.08950	1.2
97.02891	7.2
97.06532	7.7
97.10162	4.7
99.04447	4.4
99.08099	1.0
103.05473	1.2
105.04512	1.2
105.07031	21.7
107.04964	12.6
107.08596	41.0
108.08908	1.1
109.06490	7.0
109.10162	21.0
111.04452	3.0
111.08087	3.5
113.06087	1.1
113.09660	1.2
115.05492	0.9
117.07014	12.5
119.08578	21.9
121.06509	8.4
121.10146	22.5
123.08051	3.6
123.11720	5.0
125.06013	3.0
125.09642	1.6
127.03943	1.3
127.07596	1.0
129.07031	1.9
130.07788	2.2
131.08575	11.6
133.10141	13.1
135.08072	4.4
135.11696	52.7
136.12085	1.4
137.09589	2.4
137.13237	1.7
139.07568	1.4
139.11163	0.9
143.08577	3.1
144.80478	1.0
145.10124	35.5
146.10486	1.3
147.08099	1.1
147.11681	7.2
149.09651	2.8
149.13272	4.9
151.11136	1.1
153.12685	0.8
155.08543	1.5
157.10179	2.2
159.11676	6.4
161.13246	3.1
163.11186	64.0
163.14836	1.5
163.42545	0.8
164.11543	2.2
165.12749	1.4
171.11688	1.7
173.09676	1.4
173.11899	1.3
173.13260	3.7
177.12756	1.7
181.12247	10.2
184.07350	1.8
187.11343	0.9
187.14859	2.1
189.11221	1.0
193.12248	1.3
195.13728	1.0
209.11818	2.8
219.17368	0.9
220.53180	0.8
226.30336	0.8
227.12776	87.0
228.13197	2.6
229.14323	6.9
229.19351	0.9
239.17845	1.0
243.21092	2.2
257.19037	2.4
261.22165	10.9
262.22403	0.8
267.15826	4.3
275.20093	13.3
276.20508	1.0
283.15402	97.6
284.15698	4.8
293.20981	1.2
317.24857	2.6
335.25806	95.4
336.26163	4.7
349.23715	9.7
381.26312	3.9
427.19467	1.6
503.33444	5.3
521.34772	1.1
529.38507	1.7
535.36029	3.2
537.86200	0.8
541.35028	1.1
543.36804	100.0
544.37177	9.5
561.37677	3.2
575.39563	9.4
623.42627	3.1
641.43628	2.2
655.44354	1.8
673.45721	1.5
687.40344	1.7
705.41943	2.8
718.64526	0.9
740.21582	0.8
903.47870	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	902.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.6
67.05504	79.8
68.05816	2.6
69.03435	5.2
69.07070	24.5
69.38091	6.5
69.38510	2.7
71.04998	25.1
71.08656	2.0
73.02972	1.6
73.06544	1.7
77.03946	2.2
79.05497	58.0
81.03426	12.4
81.07058	95.0
82.07390	2.7
83.04984	8.4
83.08621	23.4
85.02914	5.2
85.06548	5.2
87.69888	1.6
91.05484	52.2
92.05812	2.2
93.07044	51.6
94.07353	2.1
95.04961	17.4
95.08603	37.4
97.02857	2.9
97.06532	19.5
97.10155	8.8
99.08098	5.3
100.02921	1.7
101.73633	1.6
103.05470	1.5
105.07036	44.9
107.04945	10.8
107.08600	32.2
109.06517	20.4
109.10151	29.0
111.04453	6.2
111.08097	7.8
113.09647	3.3
115.05447	2.5
117.07030	18.8
118.30775	1.5
119.07778	2.5
119.08590	31.6
121.06516	9.1
121.10148	21.2
123.08092	8.7
123.11709	6.6
125.09649	9.9
128.06181	1.4
129.05498	2.0
129.06995	7.9
130.07787	2.1
131.08565	23.2
133.06491	2.4
133.10141	24.9
135.08072	9.9
135.11725	9.4
137.09619	6.3
139.11197	3.0
141.07002	2.0
142.07722	1.8
143.08585	5.1
145.06509	2.2
145.10132	17.3
147.08038	3.1
147.11699	15.8
149.09648	12.3
149.13286	8.8
151.11179	4.7
155.08577	3.9
157.10172	6.0
158.10620	1.8
159.08034	1.9
159.11694	13.2
161.09593	3.6
161.13272	5.2
163.11220	12.7
163.14853	1.7
165.12798	4.2
169.10147	5.2
171.11713	5.7
173.09624	2.8
173.11737	6.2
173.13240	4.8
175.11150	3.8
175.14790	3.4
177.12740	4.9
179.14388	2.0
181.10112	1.7
183.11716	2.8
184.07280	4.0
185.13226	2.3
187.11201	3.1
187.14859	2.5
189.11183	1.7
189.12788	2.8
191.14310	1.7
193.10284	1.3
193.12239	3.9
197.13286	3.5
205.12201	1.8
227.12706	8.2
229.14314	17.4
229.19380	2.4
239.17993	4.2
247.20638	2.8
251.16423	7.3
253.14395	2.1
253.84457	1.5
257.19040	6.0
267.15933	4.0
269.17435	3.6
273.18454	2.5
275.20053	49.1
276.20245	3.0
283.15588	2.6
283.19040	4.1
289.18045	2.9
291.19635	4.1
293.17819	1.9
293.21136	4.0
307.22714	11.5
331.22577	3.1
335.26080	3.0
349.23746	37.1
367.25055	3.1
381.26370	17.3
399.23648	2.0
413.21631	7.5
503.33688	19.3
521.34570	4.9
525.35828	1.9
528.37561	1.9
535.36407	14.6
541.35004	2.0
543.36761	19.8
544.36761	3.2
575.39429	100.0
576.39722	8.9
623.43085	15.5
624.42694	2.7
641.43719	2.6
655.45526	12.1
673.45319	3.2
687.40875	6.9
705.41937	4.6
719.43048	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	904.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11518	1.0
65.84935	1.0
67.05508	16.6
69.03423	5.0
69.07066	5.7
70.51263	1.5
71.04988	3.6
75.61638	1.1
77.28336	1.1
79.05495	22.1
81.03418	46.5
81.07059	19.1
83.04978	4.5
83.08624	14.5
85.02895	4.4
91.04005	1.8
91.05477	18.1
93.07043	15.4
95.04977	22.1
95.08601	10.1
97.02878	3.5
97.06522	3.1
97.10173	10.3
99.04446	1.8
105.07025	13.7
107.04952	16.6
107.08595	10.0
109.02824	1.1
109.06522	14.2
109.10157	5.9
111.04423	2.4
111.08072	3.6
115.05492	1.6
117.07008	5.8
119.04958	2.0
119.08570	9.9
121.06499	13.2
121.10133	10.5
123.04442	2.2
123.08073	3.1
125.05941	1.3
125.09627	14.1
127.03925	1.8
129.06987	7.6
131.04921	2.5
131.08566	12.0
132.42192	1.1
133.06491	4.7
133.10098	5.5
135.08057	6.7
135.11699	2.8
139.11183	2.4
142.07814	1.1
143.08594	2.5
145.06503	6.5
145.10112	3.5
147.04379	2.6
147.08066	5.9
147.11659	5.5
149.09610	5.1
153.01779	1.8
153.09052	2.4
155.08585	2.1
157.06526	1.9
157.10094	7.0
159.07970	1.8
159.11774	1.4
161.09662	2.2
161.26584	1.2
163.11151	3.8
165.12762	2.4
169.10147	1.3
171.08064	1.4
171.10329	1.3
171.11696	2.1
173.09538	1.7
173.13298	1.6
175.11186	9.3
177.05432	1.5
177.12755	1.4
185.09647	1.3
185.13225	1.2
187.11166	2.2
189.11203	5.5
189.12752	2.4
191.14320	2.7
193.12236	17.1
194.12514	1.5
195.11780	1.8
197.13234	1.6
205.12222	3.0
209.77696	1.1
211.13304	2.5
211.18161	1.6
213.12782	1.9
215.14328	2.0
217.12234	2.1
219.13817	8.7
223.13182	1.3
227.12741	3.7
233.15331	3.4
235.13341	2.0
237.01305	1.4
237.12711	1.9
249.14856	2.5
257.15399	1.5
259.15518	7.6
267.15906	50.8
267.18802	2.4
268.16220	2.9
273.14758	5.8
287.16223	1.2
293.17419	5.7
339.23093	2.4
349.21432	3.4
357.24121	1.5
367.22659	11.2
385.23761	18.9
386.23877	2.1
396.38681	1.3
396.65155	1.3
403.25000	7.2
405.24228	1.3
433.25571	1.7
441.26260	7.2
451.26776	4.5
459.27420	100.0
460.27756	9.0
477.28467	92.4
478.28619	9.8
483.27200	1.2
491.30179	6.2
495.29718	7.8
501.28491	5.4
509.31436	2.7
513.28528	2.0
531.29559	1.7
543.29169	2.1
567.30103	5.6
568.29858	1.4
573.30701	1.3
585.30786	2.6
621.32629	2.4
815.32013	1.6
905.34357	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	904.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.7
65.10813	1.4
67.05510	45.8
67.41337	1.5
69.03439	3.1
69.07079	20.8
71.05001	18.1
71.27848	2.0
79.05496	52.9
80.05859	2.1
81.03429	10.5
81.07061	100.0
83.04993	9.6
83.08633	13.6
85.02906	4.1
85.06538	2.8
91.05480	47.5
91.06010	2.7
93.07051	43.7
95.04964	13.9
95.08611	31.4
97.02891	3.9
97.06553	7.8
97.10147	7.9
99.08105	2.5
103.05503	3.0
105.04523	2.0
105.07034	40.0
107.04957	15.4
107.08607	27.5
109.06526	26.2
109.10150	13.6
111.04446	7.6
111.08098	6.4
115.05462	2.1
116.06274	1.8
117.07027	17.9
119.04984	2.1
119.08591	32.7
121.06521	10.4
121.10162	20.3
121.58365	1.9
122.10504	2.0
123.04440	1.7
123.08074	20.0
123.11695	4.2
125.09622	4.4
129.07040	9.1
131.08572	18.7
131.99648	1.5
133.06516	3.4
133.10146	19.5
135.08073	6.4
135.11700	8.0
137.09604	7.5
143.08554	7.9
145.06465	2.1
145.10124	19.5
147.08064	7.9
147.11708	14.0
148.12088	1.5
149.09647	14.1
149.13232	7.7
151.11162	4.7
155.08641	1.7
157.10139	6.8
159.08075	3.0
159.11736	11.9
161.09636	8.0
161.13335	2.1
163.11133	14.2
165.12788	6.4
169.10202	2.5
171.11696	4.4
173.09642	2.5
173.13228	3.0
175.11198	3.9
175.14919	1.9
177.12839	2.3
183.11716	2.1
185.13280	3.5
187.11177	1.9
187.14726	2.1
189.12743	2.1
189.46536	1.3
191.14331	2.4
193.12349	2.7
197.07310	3.2
201.19785	1.6
211.08795	1.7
227.12773	2.3
229.19507	3.0
239.17990	2.5
247.20619	4.7
255.17546	2.6
257.19043	4.9
267.15970	6.8
273.18509	21.9
275.20068	61.0
276.20407	3.7
281.16574	1.8
285.16891	5.1
291.19547	24.1
292.19894	2.1
293.21094	5.7
303.41779	1.5
307.22668	12.5
309.16150	3.4
317.28848	1.7
327.17435	2.0
335.25870	5.9
347.22098	7.5
349.23749	34.2
350.23962	2.0
365.23026	3.5
381.26370	32.1
382.26428	2.5
383.19748	14.2
401.20914	35.3
402.21072	2.5
535.09039	1.8
543.36292	2.0
545.38086	3.8
621.41364	7.9
625.45099	2.1
639.42047	4.9
657.38983	19.5
658.39368	1.8
671.44324	2.6
675.40247	31.4
676.40564	5.1
689.41626	11.2
693.41516	7.4
707.42810	23.9
708.43036	2.5
904.49908	7.4
905.48224	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	904.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	6.3
67.05505	66.7
69.03440	10.3
69.06725	2.8
69.07072	31.1
69.76498	6.0
71.01351	3.4
71.04993	6.6
73.02921	3.3
77.03943	1.5
79.05495	67.6
80.05848	1.9
81.03422	19.0
81.07059	100.0
83.04984	18.9
83.08624	23.0
85.02915	8.7
85.06538	4.4
87.04488	1.9
91.05481	50.3
93.07045	55.6
94.07374	2.0
94.95441	1.6
95.04967	29.8
95.08617	28.7
96.05801	1.8
97.02902	10.7
97.06541	16.3
97.10176	31.7
98.23235	2.5
99.04446	2.7
99.06638	1.4
99.08077	2.9
103.05442	3.1
105.04543	2.8
105.07036	38.4
107.04960	23.4
107.08596	36.2
109.02874	3.1
109.06528	20.0
109.10153	29.6
111.04440	13.6
111.08080	10.2
113.09662	1.8
115.05462	4.3
116.04746	4.1
116.06196	1.8
117.07015	21.5
119.05000	2.4
119.08582	33.8
121.06533	16.6
121.10146	21.8
123.04411	7.8
123.08067	22.9
123.11739	3.6
125.09633	28.5
127.11153	2.1
128.06244	3.6
129.05499	11.5
129.07013	13.2
131.05005	1.6
131.08571	19.0
133.06506	5.5
133.10139	23.4
135.08069	17.9
135.11696	15.1
137.05994	2.7
137.09628	15.9
137.97580	1.6
139.07536	2.5
139.11169	2.2
141.50151	1.4
143.08569	8.4
143.10724	1.9
145.06485	6.1
145.10120	23.2
147.08051	14.0
147.11685	11.0
149.09627	12.1
149.13240	1.8
151.07520	3.6
151.11174	2.9
153.09091	8.0
153.12785	4.9
155.08580	5.9
157.08643	5.8
157.10138	8.9
159.08067	6.0
159.11671	8.2
161.09641	13.1
163.07538	2.3
163.11177	25.8
165.09132	6.6
165.12804	2.1
167.08569	2.1
167.10548	1.9
169.10149	3.2
171.07881	1.5
171.10158	4.2
171.11703	7.1
173.09654	5.2
173.11758	4.0
173.13147	2.3
175.11176	8.1
177.12769	4.8
179.10628	1.7
181.12259	8.5
183.11687	3.7
185.09625	3.1
185.13196	3.3
187.11163	2.9
187.98500	1.4
189.09412	2.3
189.11235	21.4
189.12772	3.2
191.10680	7.9
193.12248	27.5
195.11868	1.6
197.13214	1.5
199.11183	2.6
199.13283	1.9
201.16519	1.7
203.10687	1.6
203.14330	1.7
204.17931	1.7
209.11757	3.5
211.13190	3.2
213.16397	1.8
215.14430	1.9
221.11674	3.2
223.13326	5.2
227.12740	21.4
227.14781	1.9
227.17892	4.2
228.13004	1.5
229.14282	11.1
233.15445	2.4
239.12813	2.2
245.13689	1.7
245.18921	6.9
249.14845	3.2
251.12845	1.6
253.14447	1.7
255.17458	4.7
261.18481	3.1
267.15945	2.9
269.17371	3.4
271.16949	3.6
273.18475	42.8
274.18845	2.3
275.20053	8.4
283.15457	2.7
289.18063	16.0
291.19550	66.3
292.19974	4.0
307.19025	6.2
309.20609	6.6
329.21207	1.9
347.22214	16.0
349.23645	4.7
363.21680	6.0
365.23239	36.1
366.23611	3.0
381.22867	4.6
383.24344	11.5
399.23819	23.7
400.24136	1.7
447.27426	1.7
479.29785	2.6
519.33118	6.9
527.33514	1.5
537.33990	2.6
541.35266	2.6
559.36316	7.2
577.36957	2.3
585.33630	1.8
637.40607	5.7
653.40332	3.9
655.42096	7.4
671.41443	4.3
689.42609	11.9
690.42865	2.3
707.43512	8.0
904.56622	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.3
67.05508	39.7
68.05842	0.8
69.03419	4.0
69.07071	11.0
71.04990	2.8
73.02908	3.0
74.42039	0.7
79.05496	35.9
80.05842	1.0
80.75028	0.7
81.02927	1.1
81.03420	37.3
81.07057	43.3
83.04990	9.6
83.08625	15.0
85.02905	22.2
85.06563	2.4
86.09730	3.7
87.04456	0.8
91.03976	5.9
91.05485	33.6
93.07047	34.6
95.04977	17.1
95.08612	30.1
95.09170	0.8
97.02887	7.1
97.06538	4.1
97.10147	4.0
99.08087	0.9
105.04498	0.8
105.07036	19.1
107.04958	3.8
107.08601	16.3
109.06532	3.3
109.10156	11.1
109.33781	0.7
111.04432	1.3
111.08078	7.4
113.05987	1.0
115.05435	0.9
117.07038	4.3
119.08588	17.3
121.06507	1.2
121.10143	16.7
123.08093	2.0
123.11722	4.1
125.00008	2.5
127.03912	2.2
129.07019	7.6
131.08568	12.8
133.06487	1.7
133.10133	10.0
135.11703	6.6
136.12073	0.9
136.48979	0.7
137.13255	1.0
139.11148	0.8
142.07809	1.7
143.08601	0.8
145.04991	1.5
145.10097	4.9
147.08057	2.8
147.11673	10.5
149.09639	3.9
149.13258	4.4
151.11153	1.0
157.10126	7.9
159.11691	4.1
161.13269	2.3
163.06030	3.0
163.11212	0.8
163.14854	1.3
165.12784	2.4
171.11908	0.8
173.13255	2.7
175.11177	9.1
175.14870	1.5
183.11726	0.8
184.07367	8.4
186.52950	0.8
189.16315	0.8
193.12245	24.8
209.13412	1.0
211.13289	38.2
212.13641	2.0
227.12827	1.0
243.21107	3.0
249.14755	0.7
261.22131	9.2
267.15887	10.1
269.17258	1.2
285.16971	45.9
286.17352	2.3
301.25101	1.0
317.24869	2.2
335.25809	73.3
336.26047	3.7
338.65445	0.9
348.16956	0.8
406.05075	0.8
433.36206	0.9
435.32422	1.7
453.33633	1.3
497.31058	0.8
509.36588	0.8
527.37280	13.0
528.38031	1.3
545.38385	100.0
546.38672	10.9
577.76654	0.8
688.96661	1.0
823.17902	0.9
904.48969	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	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19845	1.4
65.03916	2.2
67.05510	51.6
68.05846	1.7
69.03440	5.3
69.07078	8.4
69.49143	2.6
69.49532	5.1
71.04990	4.1
73.02926	3.2
79.05497	40.1
80.11999	1.7
81.03422	55.0
81.07057	55.5
81.07529	3.1
83.04981	15.2
83.08623	22.6
85.02908	35.6
85.06549	2.1
91.03978	9.1
91.04522	1.7
91.05485	41.0
93.07053	37.7
95.04972	24.4
95.08613	33.8
95.09238	1.6
95.38184	1.6
97.02883	9.5
97.06493	2.4
97.10144	4.7
103.05484	1.4
103.25729	1.3
105.04549	2.0
105.07037	28.9
107.04967	6.1
107.08608	20.6
109.06523	4.9
109.10168	10.2
111.04456	3.2
111.08094	10.1
113.06010	3.7
117.07033	5.9
119.08590	21.9
121.10155	17.8
123.08067	4.5
123.11714	5.2
129.06995	10.0
131.08586	16.9
133.10118	13.9
135.11710	8.4
137.09636	2.6
142.07782	2.6
145.04970	4.1
145.10149	7.2
147.08102	3.0
147.11687	17.8
149.09636	6.3
149.13234	2.4
157.10146	13.5
159.11676	3.2
161.13258	3.7
163.06046	2.4
163.11136	1.6
163.14787	3.2
165.12733	2.1
173.13281	4.8
175.11201	12.9
193.12256	41.1
194.12506	2.8
211.13304	63.6
243.21185	3.0
261.22122	9.4
267.15924	16.3
285.16983	72.2
286.17383	2.5
317.24768	4.0
335.21756	3.3
335.25812	65.0
336.26166	4.3
345.06641	1.5
453.33707	2.4
527.37299	13.7
542.80048	2.0
545.38403	100.0
546.38721	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	905.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03431	0.7
85.02898	0.3
89.03943	0.8
91.05502	0.4
93.07065	0.2
105.49917	0.2
109.02927	0.6
117.03393	1.4
119.04959	0.6
125.25257	0.2
129.78328	0.2
145.02853	3.1
145.03943	0.2
147.04395	1.3
149.02141	0.3
149.06094	0.5
177.05487	3.4
178.05823	0.4
185.67291	0.2
187.07642	0.2
199.03705	0.3
211.92863	0.2
265.08902	0.2
289.06711	0.3
296.67096	0.2
313.06839	5.4
315.32333	0.2
331.07962	0.3
343.07993	0.9
349.09021	0.4
421.10953	1.6
507.12616	6.3
508.13135	0.3
525.13678	3.4
525.20868	0.2
905.24701	100.0
906.25037	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.4
69.03432	2.7
71.01375	1.3
71.36845	1.0
73.02922	4.0
78.56360	1.2
79.05505	3.9
81.03420	1.5
81.07070	3.9
83.04958	1.3
85.02904	7.9
91.03983	3.6
91.05494	1.3
93.07046	3.5
95.04994	1.2
95.08642	3.3
97.02906	5.2
101.02367	2.3
105.07060	2.6
107.08649	1.5
109.02927	1.7
119.08613	1.3
133.19554	1.2
147.11728	1.4
176.74963	1.0
184.07336	1.1
191.99532	1.3
204.69188	1.1
243.08482	3.1
263.04239	1.1
295.40720	1.2
319.51169	1.1
376.23630	1.1
383.48773	1.1
405.13742	6.0
465.20828	6.9
519.29370	2.7
627.25769	5.8
681.34595	5.4
726.83801	1.4
743.43878	2.0
905.48645	100.0
906.48932	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	906.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.4
67.05508	48.4
68.05851	1.4
69.03438	6.2
69.07072	24.6
71.04994	5.6
71.28001	1.0
73.02926	1.6
79.05498	56.8
80.05829	1.4
81.03418	12.6
81.07061	90.1
82.07405	1.6
82.33318	0.9
83.04984	13.3
83.08150	1.2
83.08624	19.3
85.02910	4.5
85.06541	3.3
91.05483	49.5
92.05836	1.3
93.07047	40.7
94.04175	1.0
94.07394	1.0
95.04976	23.5
95.08605	24.7
97.02900	2.8
97.06535	7.7
97.10172	23.9
99.04471	2.0
99.08084	2.6
103.05459	2.2
105.04520	2.3
105.07034	33.8
106.07383	0.9
107.04286	1.4
107.04959	21.7
107.08600	26.8
108.08995	1.5
109.02872	1.5
109.06528	15.7
109.10161	15.7
111.04447	11.6
111.08081	8.7
115.05459	3.0
116.06246	1.9
117.01048	2.0
117.07020	20.1
119.04986	2.5
119.08587	33.7
121.06505	12.8
121.10140	17.9
123.04434	1.2
123.08073	25.2
123.11700	1.7
125.06017	1.0
125.09622	18.3
128.06219	3.7
129.07011	13.1
130.07805	1.8
131.08574	22.9
133.00548	1.4
133.06493	6.3
133.10141	14.9
135.08052	11.0
135.11710	11.5
137.09648	7.2
139.11174	1.4
141.06982	2.2
142.07722	1.9
143.08574	10.3
145.04051	1.1
145.06480	3.3
145.10117	21.9
147.08058	14.6
147.11673	8.8
149.09618	16.0
149.13274	3.3
151.11270	2.1
153.09125	4.1
153.12711	4.5
155.08496	4.3
157.06488	1.1
157.10118	11.2
159.08015	4.6
159.11688	8.5
161.09622	15.1
161.13258	3.1
163.11197	22.4
165.09131	6.6
165.12834	1.5
167.08568	1.4
169.10094	2.9
171.08148	1.3
171.10291	1.5
171.11696	8.3
173.09619	6.6
173.11897	1.2
173.13307	2.7
175.11174	7.9
177.09125	1.0
177.12759	3.0
179.10684	1.5
181.10121	2.5
181.12210	7.2
185.09550	1.8
185.13271	4.5
187.11272	2.4
189.11230	15.9
189.12747	2.5
191.10612	5.6
191.14323	1.0
193.12251	3.9
195.11760	2.1
197.07327	3.9
197.13228	1.0
199.11205	3.7
203.10692	1.1
205.12234	1.9
209.11658	1.9
209.67340	0.9
213.12813	1.8
217.12329	1.2
223.13321	5.9
227.12770	17.4
227.17877	4.9
229.14267	2.3
231.13884	1.1
237.16394	3.4
239.12758	0.9
245.13837	1.0
245.19060	5.6
249.14919	3.5
255.17461	6.5
263.20035	2.0
267.15982	1.5
271.17038	1.0
273.18488	56.0
274.18835	2.6
275.20041	4.6
283.15472	3.7
291.19562	100.0
292.19888	4.7
293.21100	1.1
309.16376	6.7
309.20358	7.6
311.20190	1.3
327.17145	2.2
329.21082	2.2
347.22159	22.7
349.23703	2.1
365.23251	37.1
366.23563	2.0
383.19778	30.1
383.24326	14.1
384.20056	2.6
384.24603	1.3
401.20917	36.3
402.21304	1.9
463.79083	0.9
521.34991	1.0
545.37219	1.2
553.28778	1.7
563.37073	1.1
591.31134	1.4
609.31970	1.5
619.39575	2.8
637.41187	9.2
655.40881	4.6
673.38593	22.6
674.38647	1.7
691.28546	1.7
691.39697	27.2
692.39880	3.6
709.40833	13.4
710.40924	1.8
744.50452	1.8
906.50256	2.0
907.47290	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	906.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	3.3
67.05508	40.3
69.03439	2.9
69.07069	19.0
69.54218	3.4
71.01353	2.2
71.04998	4.8
71.08617	0.9
73.02912	2.2
79.05494	40.7
81.03425	7.2
81.07058	62.9
82.07394	1.9
83.04982	10.5
83.08630	14.2
85.02895	7.4
85.06539	3.2
86.09708	1.1
91.03970	3.3
91.05481	25.6
93.07047	42.9
94.07374	1.1
95.04968	10.6
95.08607	18.6
97.02896	3.6
97.06530	12.6
97.10199	5.9
98.23362	1.0
99.04453	1.1
99.08096	2.5
105.07033	21.0
107.04946	6.7
107.08596	29.2
107.09290	1.9
109.06520	19.0
109.10180	9.5
111.04427	1.1
111.08095	4.2
115.05457	1.4
117.07037	8.2
119.08582	18.6
119.09437	1.1
121.06472	5.7
121.10136	15.0
123.04408	1.6
123.08077	5.8
123.11708	4.1
125.05997	1.0
125.09615	2.0
126.54441	0.9
129.07016	3.2
131.08557	8.8
133.10135	13.0
135.08073	3.9
135.10657	1.9
135.11697	35.2
136.06204	11.7
137.09633	2.7
141.07054	0.9
142.07637	0.8
143.08572	2.9
145.06433	1.1
145.10115	14.0
147.08064	1.0
147.11684	11.8
149.09610	7.1
149.13235	5.1
151.11201	2.1
153.12822	1.0
157.10126	3.0
159.11722	5.1
161.09624	2.0
161.13307	3.2
163.06091	1.4
163.11197	10.3
163.14787	1.1
165.12801	3.6
169.10199	1.7
171.11731	1.7
173.09576	1.9
173.11858	1.1
173.13297	3.5
175.11206	2.2
175.14922	0.9
177.12823	1.5
178.15982	2.7
179.14328	1.0
181.12248	7.8
183.11681	2.1
184.07379	2.7
185.13324	1.5
187.11238	1.1
187.14853	1.0
188.13666	0.8
193.12271	2.0
197.13234	1.3
227.12535	1.2
229.14355	1.5
229.19540	1.9
247.20638	1.9
255.15918	72.3
256.16235	2.5
257.18988	4.0
257.99841	0.9
267.15955	3.4
275.20056	46.3
276.20410	2.9
291.19409	1.5
293.21109	8.7
349.23703	19.9
365.23264	1.2
367.24777	11.7
368.25021	1.3
403.28387	2.5
455.31699	1.0
465.28598	1.1
511.34348	3.0
529.35254	100.0
530.35651	10.1
541.35364	1.0
547.36292	65.5
548.36719	6.8
554.69995	1.0
559.35632	1.3
697.54596	1.0
906.57880	3.1
907.47919	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	906.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.8
67.05509	95.1
68.05830	1.5
69.03432	3.8
69.05406	5.8
69.07073	14.4
69.07429	1.5
71.04999	19.1
73.02927	3.2
79.05499	36.0
80.05822	0.8
81.03444	4.3
81.07059	46.0
83.04985	4.4
83.08623	7.5
85.02903	12.5
85.06554	3.1
86.09716	2.7
91.03965	7.1
91.05482	26.5
93.07049	45.0
95.04977	5.5
95.08611	33.7
97.02892	7.0
97.06541	5.7
97.10184	2.2
98.23460	1.2
99.04443	1.6
99.08120	1.8
103.05479	1.6
105.04543	1.5
105.07034	18.4
106.07346	0.8
107.04943	2.0
107.08600	21.9
109.02917	1.0
109.06532	3.1
109.10162	64.5
110.10502	0.8
111.08100	3.8
117.07016	7.3
119.08587	21.5
120.08894	1.0
121.06522	3.2
121.10149	17.1
122.10405	0.7
123.08070	1.6
123.11719	3.4
125.00009	1.3
125.09623	0.9
127.03915	3.3
127.76565	0.7
129.06969	1.1
131.08566	8.0
133.10130	9.4
135.08052	1.4
135.11703	17.4
137.09625	9.4
139.11221	1.3
143.08595	1.8
145.04997	2.9
145.10130	8.2
147.11694	4.4
149.09639	1.0
149.13254	3.7
151.11247	1.2
153.12682	0.8
155.10721	2.6
157.10191	1.1
159.11717	4.3
161.09706	0.8
161.13280	1.7
163.06062	2.7
163.11180	4.2
165.12788	0.9
169.10178	1.2
169.12291	1.1
171.11736	1.4
173.11768	6.7
173.13307	3.6
175.14804	1.1
177.08606	0.8
181.12357	1.3
184.07364	6.2
187.13309	1.5
187.14882	1.5
193.12357	1.4
199.14879	1.0
213.14864	1.7
229.14417	3.1
243.15990	2.4
243.21164	1.0
253.19502	0.9
254.79955	0.8
255.15950	5.2
259.20770	1.3
261.22144	3.6
262.22791	0.7
267.15887	1.3
269.17450	1.4
272.20047	1.8
275.20105	2.1
285.16968	1.1
287.18518	16.8
293.21045	1.0
317.24762	1.5
335.25824	26.9
336.26233	1.4
337.27286	1.8
349.23761	0.9
379.29968	1.0
397.31262	1.4
423.32800	1.5
471.34952	4.0
489.35767	92.8
490.36163	11.2
497.36121	1.0
503.37427	4.2
515.37341	19.1
516.37488	2.4
529.39063	1.9
533.38245	1.3
547.39954	100.0
548.40222	11.7
579.34326	1.8
593.36957	0.8
633.40076	1.1
691.43982	1.8
906.53882	8.8
907.50122	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	906.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	4.9
66.29015	0.9
67.05506	98.6
68.05850	1.4
69.03425	4.9
69.07068	16.6
69.07428	1.6
71.04995	24.9
71.05376	1.6
73.02929	4.1
78.02982	1.0
78.47935	0.9
79.05495	42.1
81.03417	4.4
81.07056	49.0
82.07371	1.0
83.04974	5.5
83.08635	9.2
85.02901	15.2
85.06548	5.7
86.09705	1.5
88.88297	0.8
91.03959	8.0
91.05479	34.8
93.07043	51.0
94.07367	1.1
95.04966	6.3
95.08608	37.7
97.02895	8.7
97.06536	5.6
97.10191	2.8
98.22624	1.9
99.04493	1.3
99.08080	1.9
103.05472	1.3
105.04507	0.9
105.07030	19.6
107.05029	1.0
107.08592	24.2
107.09292	1.6
109.02916	1.6
109.06506	3.4
109.10155	63.0
110.10504	2.1
111.08056	3.9
115.05489	1.1
117.07031	7.7
119.08575	21.5
121.06512	5.0
121.10141	19.4
123.04426	0.8
123.08088	1.3
123.11702	4.0
125.09628	1.2
127.03940	3.2
129.06999	2.9
131.08566	10.2
133.10130	12.0
135.08086	1.6
135.11690	18.1
137.09619	11.4
139.11211	2.7
143.08528	1.2
145.04973	3.3
145.10130	10.4
147.11690	6.9
149.13277	4.9
155.08606	0.9
155.10675	3.9
157.10147	2.5
159.11691	6.6
161.13303	4.2
163.06059	3.7
163.11211	5.1
163.14862	1.2
165.12782	1.2
169.10133	1.4
169.12227	2.0
171.11723	2.4
173.11763	9.3
173.13295	4.7
175.14847	2.3
181.12257	2.7
183.11679	1.5
184.07397	5.7
184.08864	1.1
185.13260	1.8
187.13310	1.8
187.14853	2.4
193.05055	1.2
195.11549	1.0
195.13919	0.8
199.14836	1.2
211.13185	1.0
213.14877	3.1
229.14473	0.9
239.16455	1.4
243.16022	3.3
243.21175	1.1
255.15927	6.6
259.20709	2.6
261.22198	3.7
272.20120	2.0
275.20181	2.4
285.16953	2.0
287.18539	28.0
287.23367	1.2
288.18890	1.0
317.24951	1.1
333.24228	1.0
335.25830	21.5
336.26022	1.1
349.23981	1.7
355.25415	0.8
363.25305	1.0
367.24713	1.2
379.29874	1.8
397.31085	2.8
423.32297	1.8
471.34732	8.0
489.35739	100.0
490.36264	8.9
497.36237	2.9
503.30600	0.8
503.37222	5.3
515.37317	30.1
516.37854	2.7
529.38910	1.0
533.37866	1.2
539.30908	1.3
547.39911	97.8
548.40198	10.0
579.33929	1.2
629.17188	1.0
677.41119	0.9
691.44318	1.2
709.66522	0.9
906.54370	7.0
907.50049	1.3
911.02649	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	906.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.5
67.05509	65.4
69.03426	5.8
69.07080	21.2
71.01364	1.6
71.04999	8.1
71.08653	2.0
73.02914	4.7
74.22472	1.5
76.60448	1.7
79.05494	38.6
81.03419	36.3
81.07063	68.6
82.03739	1.7
82.07432	1.7
83.04998	13.6
83.08621	20.2
85.02909	26.1
85.06528	1.5
86.09692	7.3
91.03988	9.4
91.05484	35.7
93.07053	40.5
95.04964	20.9
95.08611	35.3
97.02889	9.8
97.06530	7.8
97.10168	8.3
98.23470	3.1
99.04498	1.8
99.08089	1.9
101.02352	1.6
103.05465	3.8
105.07033	35.2
107.04966	7.9
107.08598	17.7
109.06531	6.5
109.10157	24.2
111.04461	2.2
111.08108	6.4
113.06029	2.2
115.05497	1.5
117.07038	4.7
119.08581	20.1
121.06496	10.3
121.10148	14.9
122.10469	1.5
123.08072	2.6
123.11695	6.9
125.00010	5.1
125.09654	3.2
127.03910	3.8
129.07013	7.7
131.08580	12.8
133.06514	2.8
133.10138	16.5
135.08067	1.5
135.11687	9.2
137.09604	3.9
142.07797	1.6
143.08607	2.1
145.04950	2.3
145.10086	6.8
147.08083	3.3
147.11687	15.2
149.09660	5.5
149.13287	2.9
155.08568	2.1
157.10132	10.7
159.11697	3.7
161.13300	2.4
163.06036	5.3
163.11224	4.0
165.12817	2.6
173.11807	3.3
173.13188	2.7
175.11234	8.9
184.07401	18.4
185.13358	1.7
193.12256	25.9
207.60771	1.5
211.13286	41.0
211.15167	2.8
212.13622	2.0
229.14458	2.5
263.23691	3.1
267.15891	13.9
272.19962	4.6
275.20044	7.6
285.16959	56.9
286.17291	3.4
287.18475	4.0
335.25793	6.3
337.23434	3.1
337.27356	51.8
338.27771	4.1
349.23764	8.0
367.24863	1.8
381.26471	2.3
384.53635	1.6
410.26709	1.7
417.12827	1.4
489.35886	15.3
515.37012	3.1
529.39026	11.8
547.39935	100.0
548.40521	12.8
593.36646	1.8
623.43018	2.2
649.85718	1.7
655.45251	1.8
906.52179	45.3
907.49426	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08704	1.1
67.05515	2.3
69.03445	3.2
71.30393	1.1
71.30962	1.8
73.02928	4.0
79.05500	4.4
81.07066	4.2
83.08646	1.6
85.02920	7.7
91.03976	3.8
91.05474	1.9
93.07059	4.5
95.08636	4.3
97.02885	6.6
101.02396	1.3
107.08600	2.8
109.10158	1.6
117.07003	1.2
121.10184	1.4
124.46599	1.0
127.03973	2.3
133.10179	1.3
135.11699	2.8
145.10202	1.7
163.11176	2.3
164.92136	1.4
227.12708	2.2
243.08519	2.6
249.11057	8.9
268.49933	1.3
273.84103	1.1
304.33347	1.8
347.09521	1.7
363.70053	1.2
405.13812	5.3
416.56961	1.2
467.18997	4.8
519.29138	6.2
629.24084	2.5
681.34418	9.9
745.41541	1.9
824.72510	1.3
907.46539	100.0
908.47211	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	0.7
70.07545	1.6
70.07890	0.6
71.04981	0.5
81.03423	7.2
86.57970	0.5
89.03925	4.9
91.05472	0.9
94.35583	0.5
97.02904	3.2
98.22675	0.6
98.27409	0.5
99.04439	0.9
109.02891	33.4
110.03228	1.1
117.03387	11.8
121.06543	0.8
127.03925	13.3
132.46820	0.5
134.03624	0.6
135.04417	1.2
136.07552	0.6
137.05969	0.8
139.03893	1.4
144.07408	0.5
145.02856	34.9
146.03180	0.8
149.06021	4.2
167.06915	0.6
169.04979	9.7
177.05481	100.0
178.05797	3.4
186.05542	0.9
191.07091	0.8
193.06947	0.5
211.06015	0.9
259.09671	0.6
285.07516	1.2
303.08664	23.5
304.08939	0.7
331.10153	0.7
502.04956	0.6
515.15521	9.1
516.15570	0.7
748.10754	0.6
928.07867	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	909.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.0
69.03433	0.7
69.07069	0.4
71.28887	0.3
71.29245	0.4
74.21745	0.4
79.05500	1.1
81.03439	0.4
81.07069	2.0
83.04949	0.4
83.08624	0.7
85.02896	0.5
86.09702	0.5
91.03980	0.4
91.05492	1.1
93.07063	0.9
95.04976	0.4
97.02885	0.8
98.97593	0.6
105.07050	0.9
107.08600	0.8
107.35229	0.4
109.10190	0.6
117.07021	0.4
121.06530	1.6
121.10175	0.3
122.06801	0.4
125.09662	0.5
131.00215	1.7
131.08551	0.4
133.10104	0.5
143.00186	0.4
145.10182	0.6
149.01306	1.3
158.99721	0.4
164.91220	0.3
177.00752	0.7
184.07344	0.9
185.07726	0.4
189.11310	0.4
202.17328	0.4
210.25667	0.5
213.08131	0.6
229.07594	0.4
231.09073	0.7
237.08101	0.5
243.09088	0.9
247.08450	0.5
255.09029	2.6
267.09058	0.8
273.10217	1.5
285.10120	1.3
293.05539	0.7
301.09375	0.6
347.15268	2.9
349.16852	0.5
365.16360	3.6
383.17538	0.4
447.15485	0.9
473.16788	1.8
501.16083	0.4
514.17554	0.4
565.23370	0.8
567.27911	0.5
583.24249	3.7
755.22864	0.4
811.43610	0.5
822.38177	0.7
825.67688	0.5
909.46094	100.0
910.46368	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.7
69.03436	3.1
69.07082	0.4
71.01366	0.5
71.05011	0.6
73.02924	4.5
79.05502	2.2
80.77455	0.2
81.03423	3.2
81.07053	3.1
83.04975	0.6
83.08627	0.7
85.02904	7.6
87.04490	0.3
91.03953	3.1
91.05472	2.0
93.07058	1.8
95.04984	1.3
95.08614	2.1
97.02888	6.0
97.06533	0.3
99.04478	1.0
103.03957	0.6
105.07049	1.2
107.08621	0.8
108.26846	0.3
109.02898	0.9
109.06520	0.2
109.10207	0.5
115.03963	0.6
119.08609	1.2
119.85286	0.2
121.10184	0.9
127.03896	1.3
129.06996	0.3
131.08589	0.6
133.10127	0.3
145.04991	0.4
147.11720	0.8
149.09613	0.3
157.10110	0.4
173.13373	0.3
175.11244	0.4
185.04315	0.9
193.12357	1.1
203.05383	0.8
211.13376	0.7
230.53627	0.3
243.08395	2.5
251.12660	0.7
307.15359	0.6
325.96576	0.3
347.09476	2.1
363.08990	0.3
365.10751	1.0
405.13681	5.3
427.40332	0.2
469.20456	7.1
470.20969	0.4
519.29321	4.1
520.29932	0.3
548.30017	0.3
602.15833	0.3
631.25604	7.0
632.26483	0.8
681.34656	4.2
682.34875	0.4
747.42236	1.3
748.44092	0.4
909.48090	100.0
910.48511	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	909.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.3
69.03437	3.6
69.07084	0.9
71.01360	0.5
71.05017	0.8
73.02917	3.6
79.05487	2.5
79.07867	0.2
81.03421	2.3
81.07058	3.3
82.07420	0.3
83.05008	0.5
83.08643	0.8
85.02908	6.4
87.04486	0.6
91.03956	3.5
91.05476	2.5
93.07043	2.9
93.56709	0.2
95.04980	1.1
95.08614	2.3
97.02896	5.9
97.03516	0.3
97.06558	0.3
99.04475	1.2
103.03988	0.3
103.05499	0.3
103.38804	0.2
105.07033	1.9
106.07335	0.2
107.08593	1.2
109.02911	0.8
109.10141	1.3
110.15221	0.2
111.08134	0.3
115.03990	0.5
117.06987	0.4
119.08569	1.2
121.06572	0.4
121.10144	1.2
122.06815	0.2
123.11712	0.4
127.03922	2.1
129.05510	0.3
131.08598	0.6
133.10175	0.7
135.11739	0.7
145.04993	0.5
145.10179	0.6
146.63525	0.2
147.11722	0.6
149.13321	0.2
151.11282	0.3
157.10194	0.5
159.11778	0.3
165.12947	0.2
184.07355	0.3
185.04257	0.8
193.12296	0.4
203.05347	0.7
227.24071	0.2
229.10193	0.2
243.08415	2.0
243.23155	0.2
251.12473	0.4
275.20239	0.3
335.25726	0.4
347.09488	1.4
363.09122	0.4
365.10840	0.8
405.13763	4.1
469.20438	3.0
519.29315	4.4
520.29706	0.4
631.25513	2.5
681.34540	7.1
682.35187	1.0
739.37311	0.5
747.42065	1.2
909.48065	100.0
910.48468	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	909.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.4
67.05504	5.5
68.49077	0.5
69.03430	2.6
69.07076	2.7
69.71691	1.3
71.05005	1.8
71.98084	0.4
73.02921	3.0
79.05489	4.0
79.05853	0.4
81.03417	2.5
81.07057	5.4
83.05010	1.0
83.08601	1.8
85.02902	4.0
85.06557	0.4
86.09742	0.9
91.03953	2.1
91.05490	2.8
93.07041	3.5
94.07419	0.5
95.04995	1.1
95.08602	2.5
97.02888	4.1
97.06550	1.6
97.10159	2.2
99.04484	0.9
101.02404	1.1
105.07024	3.1
107.04978	0.7
107.08606	2.5
109.02890	0.4
109.06518	0.7
109.10148	1.9
111.04537	0.8
111.08080	0.6
117.07041	1.1
119.08569	2.1
121.06533	1.0
121.10193	1.3
123.08072	0.9
125.00044	1.2
125.09671	1.2
127.03950	1.1
129.07048	0.4
131.08546	0.9
132.81018	0.4
133.10161	1.2
135.08052	0.7
135.11728	0.7
145.10129	0.8
147.11731	0.7
149.09706	0.7
153.12808	0.5
159.11769	0.9
171.11725	0.6
181.12326	0.6
184.07382	3.3
185.04170	0.8
185.07799	0.6
189.11186	0.5
193.85513	0.4
203.05386	0.4
242.69427	0.3
243.08421	4.4
275.20139	0.9
291.19467	0.4
301.09079	1.5
313.09088	0.7
315.10718	0.5
349.19824	2.3
355.13895	0.7
357.15451	0.5
365.22934	1.9
369.15356	0.5
369.42407	0.4
373.11282	0.5
405.22580	0.7
413.17844	0.9
421.25867	0.7
451.19440	0.6
485.23727	0.5
504.42542	0.5
551.28595	0.6
567.27783	5.7
568.28839	0.6
569.29419	0.5
583.30817	6.5
584.31781	0.9
595.11267	0.4
655.33466	0.5
728.03461	0.4
909.51617	100.0
910.51941	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.4
67.05504	5.5
68.49077	0.5
69.03430	2.6
69.07076	2.7
69.71691	1.3
71.05005	1.8
71.98084	0.4
73.02921	3.0
79.05489	4.0
79.05853	0.4
81.03417	2.5
81.07057	5.4
83.05010	1.0
83.08601	1.8
85.02902	4.0
85.06557	0.4
86.09742	0.9
91.03953	2.1
91.05490	2.8
93.07041	3.5
94.07419	0.5
95.04995	1.1
95.08602	2.5
97.02888	4.1
97.06550	1.6
97.10159	2.2
99.04484	0.9
101.02404	1.1
105.07024	3.1
107.04978	0.7
107.08606	2.5
109.02890	0.4
109.06518	0.7
109.10148	1.9
111.04537	0.8
111.08080	0.6
117.07041	1.1
119.08569	2.1
121.06533	1.0
121.10193	1.3
123.08072	0.9
125.00044	1.2
125.09671	1.2
127.03950	1.1
129.07048	0.4
131.08546	0.9
132.81018	0.4
133.10161	1.2
135.08052	0.7
135.11728	0.7
145.10129	0.8
147.11731	0.7
149.09706	0.7
153.12808	0.5
159.11769	0.9
171.11725	0.6
181.12326	0.6
184.07382	3.3
185.04170	0.8
185.07799	0.6
189.11186	0.5
193.85513	0.4
203.05386	0.4
242.69427	0.3
243.08421	4.4
275.20139	0.9
291.19467	0.4
301.09079	1.5
313.09088	0.7
315.10718	0.5
349.19824	2.3
355.13895	0.7
357.15451	0.5
365.22934	1.9
369.15356	0.5
369.42407	0.4
373.11282	0.5
405.22580	0.7
413.17844	0.9
421.25867	0.7
451.19440	0.6
485.23727	0.5
504.42542	0.5
551.28595	0.6
567.27783	5.7
568.28839	0.6
569.29419	0.5
583.30817	6.5
584.31781	0.9
595.11267	0.4
655.33466	0.5
728.03461	0.4
909.51617	100.0
910.51941	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.6
69.01995	2.4
69.03434	2.8
69.07087	2.3
71.04990	0.6
73.02922	2.5
79.05500	4.1
81.03445	1.7
81.07056	5.1
81.07518	0.3
82.59546	0.4
83.04996	1.2
83.08623	1.8
85.02910	3.6
85.06532	0.3
87.04479	0.5
91.03982	1.9
91.05478	3.3
93.07048	3.2
95.04982	1.2
95.08624	1.9
97.02915	3.3
97.06554	0.7
97.10197	1.3
98.22690	0.6
99.04453	0.9
99.08097	0.3
100.78355	0.3
101.02395	1.2
105.07025	2.1
107.04977	0.8
107.08639	1.2
109.02945	0.4
109.06533	0.6
109.10172	1.0
111.04449	0.8
111.08109	0.4
117.07073	0.9
119.08580	1.7
121.06547	1.1
121.10163	1.6
123.08102	1.7
125.09657	1.1
127.03933	1.1
129.05501	0.4
129.07008	0.5
131.08609	1.2
133.10136	0.8
135.08008	0.4
135.11734	0.5
137.09683	0.7
143.08604	0.7
145.10159	1.4
147.08080	0.5
147.11714	0.7
149.09669	0.9
153.12833	0.5
157.10194	0.6
159.11687	0.6
161.09673	0.5
163.11247	0.8
175.11238	0.5
184.07338	0.5
185.04260	0.9
205.06105	0.3
243.08357	3.4
265.47849	0.3
273.18533	0.6
291.19705	1.0
301.09128	1.1
307.62988	0.4
313.09006	0.4
315.10480	0.8
331.18750	1.3
349.19977	1.4
367.16714	0.5
371.16705	0.6
373.11118	0.5
379.49179	0.4
383.16818	0.8
387.21594	0.7
405.22372	0.5
497.20462	0.5
549.26733	3.2
567.27722	5.7
568.28143	0.5
585.24316	4.6
681.99683	0.4
713.42761	0.4
723.39575	0.5
741.40619	1.5
841.11328	0.4
875.47461	1.9
910.51648	0.7
911.45288	100.0
912.45532	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.497
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91135	0.6
67.05516	3.2
69.03436	4.8
73.02927	4.1
79.05499	1.4
79.40456	0.6
81.03416	3.1
81.07064	2.6
83.08614	0.8
85.02907	5.6
85.37389	0.6
91.03941	3.4
91.05505	1.8
95.05006	0.8
95.08602	1.5
97.02894	5.6
99.04483	1.5
100.04763	0.7
101.02408	1.5
105.07056	1.1
108.35576	0.6
109.10168	0.8
109.16554	0.6
112.45956	0.6
119.08618	1.1
127.03987	1.6
129.07108	0.7
133.10155	0.9
173.54489	0.6
185.04224	1.1
193.12247	1.1
229.43338	0.8
243.08574	1.8
281.16705	0.7
347.09668	1.7
365.10464	1.2
399.65421	0.6
405.13611	3.6
469.20419	4.9
521.30750	1.8
631.25702	6.3
632.25348	0.7
638.38794	0.7
683.36151	3.2
698.91071	0.7
749.44556	1.4
911.49738	100.0
912.50079	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	912.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.8
67.01891	0.5
67.05494	0.5
71.04978	0.7
81.03424	4.4
85.02905	0.7
89.03908	1.8
90.10724	0.4
91.05486	6.9
98.23443	0.9
99.04439	2.3
109.02878	6.2
117.03380	5.3
119.04944	16.8
121.06495	0.7
127.02390	0.4
127.03924	6.3
133.02771	0.4
137.06010	0.8
145.02840	13.4
146.03439	0.4
147.04408	100.0
148.04738	2.6
149.05988	2.5
151.03914	0.4
167.06969	0.7
169.04967	13.7
171.04428	0.4
177.05475	22.6
178.05798	0.6
181.05006	0.4
184.07292	0.4
187.64319	0.4
200.48785	0.5
202.23106	0.4
223.68840	0.4
229.08751	0.5
255.06490	1.2
273.07590	5.8
295.09506	0.8
315.08594	11.4
362.37048	0.4
363.10883	2.6
381.11572	2.0
497.14432	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	914.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
67.05505	22.4
69.03426	1.0
69.07068	12.2
69.07420	1.0
71.05001	1.3
73.06545	0.7
77.03879	0.6
79.05495	29.0
80.05834	0.8
81.03423	5.7
81.07058	29.7
82.07413	0.7
83.04987	5.8
83.08627	4.4
85.02911	1.1
85.06537	1.3
86.09708	0.9
89.59595	0.5
91.05480	33.1
92.05812	0.9
92.52131	0.5
93.07043	24.6
94.07365	0.9
94.68501	0.5
95.01318	3.3
95.04971	8.6
95.05551	0.7
95.08609	16.3
95.85103	0.6
96.08988	0.6
97.02884	1.4
97.06534	20.2
97.10166	1.6
98.23451	1.0
99.08076	0.7
103.05429	0.7
104.64733	0.5
105.04499	1.1
105.07032	38.1
106.07363	0.9
107.04960	8.7
107.08601	10.3
109.06525	4.3
109.10153	4.4
111.04427	0.9
111.08102	1.2
115.05433	1.1
117.07015	9.0
119.08583	17.9
120.08961	0.7
121.06518	3.5
121.10131	4.2
123.04462	1.3
123.08080	3.2
123.11698	0.6
125.09668	1.1
129.07019	5.4
131.08575	9.4
133.06499	1.2
133.10129	18.8
135.08096	1.3
135.11710	3.6
137.09669	2.0
139.07545	0.7
141.06985	1.4
143.08537	4.0
145.06465	1.4
145.10121	8.9
147.08041	1.5
147.11684	14.6
149.09630	5.0
149.13274	1.8
151.11201	0.9
155.08549	0.8
157.10153	1.2
159.11679	5.5
161.09641	1.3
161.13258	4.3
163.11194	2.9
163.14761	0.7
165.09221	1.2
169.10126	1.6
171.11681	6.8
173.13232	0.8
177.12808	2.3
179.14307	5.8
183.11676	0.9
184.07414	1.3
187.11206	1.7
189.12761	1.9
195.13739	0.7
197.13370	0.7
205.12202	0.6
207.13803	3.8
229.19479	0.6
239.17854	0.9
247.20616	1.2
257.19080	3.1
259.20618	0.8
263.16406	1.1
275.20065	37.8
276.20511	1.6
279.15854	2.9
281.17493	26.4
282.17877	1.5
293.21136	2.7
312.10022	0.5
349.23749	14.8
350.23987	0.9
377.23489	0.6
537.35901	2.0
555.36798	100.0
556.37152	11.9
573.37952	2.0
699.40314	0.8
878.47528	1.7
914.46051	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	914.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	12.6
69.03391	2.2
69.07072	5.5
71.04964	1.4
71.08630	17.5
73.02896	1.1
79.05499	6.0
81.03418	48.1
81.07058	14.2
83.05000	2.7
83.08617	15.5
85.02912	4.9
85.06498	1.1
85.10184	9.0
89.06005	0.7
91.03960	3.6
91.05487	7.4
93.07059	4.6
95.04971	15.5
95.08601	13.9
97.02899	2.9
97.06499	0.9
97.10176	3.5
98.23373	1.1
99.11771	0.5
103.07532	0.9
105.07031	7.1
107.04958	3.9
107.08553	2.2
109.02853	0.6
109.06488	2.2
109.10157	6.5
111.04398	1.8
111.08081	4.9
111.11684	0.7
114.32558	0.5
115.05488	0.6
117.06989	0.8
119.08584	7.4
121.06473	2.1
121.10152	3.7
123.04395	1.0
123.08039	1.1
123.11662	2.3
125.09603	0.6
127.03846	0.9
129.06999	5.4
130.88072	0.5
131.08565	5.7
133.06425	2.0
133.10150	3.3
135.11656	0.7
137.09586	1.2
137.13228	0.9
142.07809	0.6
145.04947	1.1
145.10063	1.1
147.04320	0.8
147.07999	2.1
147.11649	4.5
149.09599	4.0
157.10136	6.2
163.06027	2.8
163.11160	0.8
165.12708	1.4
175.11186	5.4
184.07260	0.7
185.13210	0.6
193.12230	20.5
211.13315	1.2
231.42572	0.6
235.13240	1.3
237.14890	0.6
239.23631	1.7
249.14919	1.8
257.24838	2.0
259.13260	0.9
267.15912	100.0
268.16324	2.8
273.14841	1.0
301.14212	1.9
309.16821	2.9
313.27350	92.4
314.27667	4.0
319.15540	1.1
333.16949	0.9
505.38864	81.3
506.39273	5.6
523.39783	1.8
547.39783	5.4
555.40839	0.7
589.41797	0.9
601.41174	2.8
613.41003	1.6
631.41992	2.1
649.43335	1.2
700.88031	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	915.161
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48016	0.4
65.03942	0.5
68.99796	7.4
70.08150	0.3
70.62684	0.9
70.63036	0.6
79.01855	4.9
81.03443	0.4
95.04963	0.5
95.05577	0.4
97.02912	1.0
107.01319	0.9
107.04940	0.5
109.02892	0.5
111.00817	4.8
115.05463	1.0
120.49956	0.4
121.02911	0.7
123.04446	5.4
125.02346	2.6
127.03925	3.2
127.09989	0.4
129.06958	0.9
131.04924	0.8
133.02846	1.4
139.03909	36.5
140.04263	0.5
141.06992	0.6
143.03406	5.6
143.04567	0.5
143.04921	0.4
145.02779	0.6
145.06509	1.3
147.04396	3.5
149.02344	1.5
149.05995	0.8
151.03917	14.0
152.04262	0.5
153.01836	91.8
153.02902	4.9
154.02158	1.9
157.02864	0.6
157.06496	1.5
159.04437	1.2
161.02319	0.5
161.05995	0.8
163.03905	5.3
165.05528	0.6
167.19455	0.4
169.06517	0.9
171.04433	4.2
173.05986	2.6
175.03923	8.6
177.01852	2.2
177.05475	3.3
179.03409	7.0
179.07002	0.6
181.04945	1.4
181.06343	0.4
183.04395	1.0
185.05981	2.3
187.03873	1.1
189.05453	2.6
191.03375	1.6
193.04964	1.0
197.06006	1.7
199.03915	9.2
201.05460	5.1
203.03395	11.1
205.04984	2.7
211.03899	1.4
213.05469	6.0
215.03415	0.6
217.04996	6.4
219.06534	3.4
221.15601	0.4
223.02141	2.0
223.04257	0.5
225.05498	1.6
227.03380	2.8
229.04924	3.2
231.06583	2.1
233.04474	1.2
237.05548	0.6
241.05017	4.7
243.02843	0.4
243.06606	0.8
245.02013	0.7
245.04471	11.8
246.04787	0.4
247.02504	0.6
253.04985	1.6
257.04465	5.4
259.05991	2.5
263.05566	4.3
265.05148	0.4
269.04440	4.8
271.06021	4.6
275.05399	3.0
281.04443	1.0
287.05502	100.0
288.05838	4.7
289.07108	3.3
293.04422	0.5
297.03873	0.7
299.05515	21.8
300.05917	1.3
303.04950	1.9
305.06522	1.0
307.08157	0.6
311.05493	2.1
317.06519	1.3
331.04431	2.6
385.35443	0.4
407.07761	1.4
425.08664	18.1
426.08786	1.5
437.08640	1.0
443.09744	0.5
449.08658	1.9
457.08026	0.5
541.05908	0.5
595.10199	0.6
603.76642	0.4
921.38007	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	916.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.5
67.05508	69.2
69.03423	4.8
69.07082	15.3
70.86056	2.1
71.04987	4.4
71.27705	2.4
73.06553	3.0
79.05496	87.6
80.51821	2.0
81.03421	9.4
81.07054	69.4
82.07415	2.7
83.04959	10.2
83.08614	12.3
85.02892	7.2
85.06512	3.5
86.09740	3.5
89.32739	2.0
91.03945	2.8
91.05481	100.0
93.07045	83.7
95.04973	20.5
95.08611	40.2
97.02888	3.0
97.06528	7.7
97.10171	4.9
99.08098	3.6
105.04518	4.5
105.07032	87.8
107.04955	9.2
107.08602	30.5
109.06532	7.4
109.10169	15.2
111.08096	3.7
115.05495	2.8
117.07018	24.5
119.08576	61.4
120.08942	2.0
121.06510	3.7
121.10155	23.3
123.08083	6.7
123.11739	3.2
125.00003	3.1
128.06218	2.8
129.06990	20.6
131.08565	28.6
133.10126	44.2
135.08032	3.5
135.11710	16.2
137.09613	3.1
141.07014	3.3
142.07829	2.1
143.08554	17.0
145.06464	2.3
145.10130	25.9
146.10664	2.4
147.08087	4.2
147.11682	61.2
149.09590	3.9
149.13284	7.7
150.61584	2.1
155.08542	2.9
157.10156	9.3
159.11670	16.3
161.09627	4.5
161.13277	28.5
163.11218	5.6
163.14816	4.5
169.10170	2.6
171.11676	34.1
173.13272	11.0
174.27995	2.4
175.11259	2.5
175.14784	13.8
177.12694	3.7
184.07376	8.7
185.13327	8.2
187.14859	4.0
189.12750	8.4
197.13295	2.6
199.14876	6.9
207.13792	17.7
213.16367	3.9
231.21225	5.5
235.99532	2.0
241.14444	2.7
241.19524	26.5
257.18927	7.6
259.20587	61.7
260.20868	4.6
261.22119	2.9
269.17535	3.3
275.20169	5.8
279.15933	18.2
281.17459	67.7
282.17645	3.2
315.23053	4.6
333.24228	43.6
334.24500	4.2
349.23819	2.8
391.23145	2.3
407.81961	2.4
429.31506	3.2
437.34207	2.5
447.32388	8.0
465.33466	5.2
483.34659	3.3
493.73334	2.8
521.36243	3.4
539.37335	79.9
540.37213	5.7
543.37061	3.7
557.38379	26.7
669.79791	2.7
876.02496	2.7
882.32532	2.5
935.38293	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	918.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.1
67.05508	16.4
67.05840	1.3
69.03439	2.7
69.07079	4.0
70.55842	0.8
71.05002	2.9
73.02937	1.6
75.56915	0.6
79.05494	18.4
81.03419	42.4
81.07061	14.4
82.03761	0.7
83.04987	5.1
83.08625	12.0
84.05473	0.6
84.08990	0.8
85.02927	2.4
85.06539	1.7
87.04508	0.7
91.03978	0.7
91.05478	13.9
91.06002	1.0
91.96943	0.6
93.07047	11.8
95.04971	17.4
95.05550	1.1
95.08602	5.9
97.02905	2.6
97.06555	2.1
97.10173	11.9
105.07029	10.0
107.04957	9.8
107.08596	8.9
109.02857	0.6
109.06519	8.9
109.10150	4.4
111.04433	1.6
111.08080	5.1
113.06013	1.1
115.05413	1.3
117.07005	5.3
119.04954	0.7
119.08578	9.8
121.06505	9.3
121.10159	6.8
123.04472	2.2
123.08085	2.9
123.11723	1.0
125.09624	12.0
129.07016	7.2
131.04987	1.7
131.08568	7.6
133.06479	3.4
133.10152	4.1
135.08063	4.5
135.11740	2.4
137.06012	0.9
137.09683	1.1
141.06963	1.4
142.07805	1.4
143.08583	2.8
145.06476	5.3
145.10153	3.9
147.04475	2.2
147.08026	4.1
147.11691	5.1
149.09607	4.6
150.86319	0.6
153.09138	2.9
153.12714	1.1
155.08585	1.9
157.06529	1.8
157.10141	4.7
159.08061	1.9
159.11717	1.5
161.06046	1.8
161.09682	1.9
161.13239	0.6
163.06000	0.7
163.11192	3.5
165.12759	1.3
167.08601	0.9
167.10793	1.9
169.10153	1.3
171.08073	1.9
171.11716	1.9
173.06027	1.1
173.09680	1.6
173.13400	0.9
175.11171	7.1
181.10155	1.1
185.09628	1.1
185.13373	1.0
187.11208	1.3
189.11259	5.0
189.12781	1.7
191.14436	1.1
193.12242	16.4
193.14009	0.9
197.09634	1.0
197.13274	1.4
199.11166	1.4
201.12772	0.8
205.12357	1.6
209.13257	0.9
211.13315	1.6
213.12772	2.0
215.14444	2.0
217.12186	1.5
219.13873	1.3
223.13240	1.5
225.12784	0.8
227.12798	2.4
229.12177	0.7
231.13847	1.3
233.15393	2.9
235.13297	0.9
237.12714	1.7
237.14865	0.9
245.15419	1.3
249.14897	1.2
255.13840	1.7
259.13272	1.5
267.15906	45.0
268.16302	3.0
273.14804	6.8
273.17136	0.7
287.95792	0.7
309.17087	1.1
339.23190	2.6
349.21524	3.7
357.24234	2.6
367.22659	14.9
368.22894	1.1
385.23682	20.3
386.24036	1.9
403.24695	6.8
405.24408	1.0
421.25827	0.9
441.26373	8.0
442.26950	0.8
459.27423	100.0
460.27805	10.7
477.28476	86.6
478.28745	8.3
491.30042	11.1
492.30359	0.9
501.28427	5.6
502.28775	1.1
509.31284	4.3
513.28699	1.6
531.29736	1.4
541.34027	0.8
543.29303	1.5
555.29694	1.9
567.29468	4.2
585.30505	2.3
603.31073	1.5
621.32825	0.9
901.90717	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	919.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53734	0.6
67.60037	0.7
71.04993	2.6
71.28477	1.0
85.02917	2.4
101.82467	0.7
127.03844	0.6
153.01765	1.1
169.04721	7.9
206.62274	0.7
277.60693	0.7
303.05206	1.0
304.05240	0.7
324.02542	0.9
325.03192	54.6
326.03586	2.2
359.27713	0.7
361.04095	9.3
362.04248	1.1
366.05899	1.2
379.05295	3.0
381.01099	1.0
471.08997	100.0
472.09195	5.2
495.03696	0.6
627.06226	13.7
628.06750	1.2
645.07355	5.3
890.51697	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	919.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39330	0.2
67.05519	1.2
69.03428	2.4
69.07074	0.4
71.01366	0.4
71.05015	0.9
71.08643	1.0
73.02925	2.8
75.99071	0.2
79.05516	0.9
81.03432	1.8
81.07054	1.6
83.08641	0.8
83.34623	0.2
85.02905	5.0
87.04505	0.5
91.03954	2.9
91.05510	1.2
93.07048	0.6
95.08622	1.5
97.02887	4.1
97.06533	0.4
99.04469	0.6
101.02396	1.6
105.07068	0.9
107.04979	0.3
107.08607	0.4
108.77087	0.3
109.02903	0.6
109.06557	0.5
109.10179	0.6
115.03966	0.4
121.10215	0.9
123.11711	0.3
127.03908	1.5
130.21437	0.3
131.08594	0.5
133.10161	0.5
147.11746	0.7
149.09659	0.5
157.10127	0.3
168.18373	0.3
175.11177	0.3
182.09354	0.3
185.04266	0.6
185.14317	0.3
193.12257	0.7
203.05386	0.7
225.15067	0.4
229.16949	0.4
229.19064	0.3
243.08432	1.4
283.15070	2.3
313.27536	0.7
339.17828	0.6
347.09384	2.0
363.09055	0.5
365.10629	1.2
405.13712	5.2
483.23044	0.3
497.30750	4.0
501.23093	7.8
502.23441	0.4
659.36035	5.1
660.36646	0.7
663.28241	7.1
664.28827	0.8
708.81183	0.3
757.47400	2.0
919.52271	100.0
920.52557	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05561	0.2
65.03948	0.2
67.05219	0.2
67.05502	1.3
69.03425	3.1
69.07084	0.6
69.36429	1.2
71.01369	0.6
71.05001	0.8
71.08636	1.1
71.54022	0.2
73.02916	3.4
79.05508	1.1
81.03419	3.6
81.07055	2.1
83.04992	0.8
83.08656	0.7
85.02906	5.5
85.10199	0.6
87.04486	0.6
91.03948	3.2
91.05478	1.5
93.07019	1.2
95.05000	0.9
95.08585	1.4
97.02891	5.1
97.06584	0.2
99.04481	1.0
99.38747	0.2
101.02369	1.5
105.07059	0.8
107.08618	0.8
109.02895	0.8
109.10162	0.6
111.08096	0.3
119.08604	0.6
121.06507	0.2
121.10173	0.9
122.74557	0.2
123.08092	0.3
123.11763	0.5
127.03925	1.7
129.05470	0.3
129.07001	0.4
131.08620	0.9
133.10229	0.4
145.04993	0.4
147.11732	0.6
149.09660	0.8
157.10182	0.7
175.11281	0.6
185.04298	0.9
193.12306	0.8
203.05194	0.5
225.15015	0.3
243.08414	2.0
259.08115	0.4
267.16101	0.7
270.35696	0.2
271.14160	0.2
283.15094	2.6
313.27539	1.1
339.17902	1.0
347.09470	2.6
363.08969	0.6
365.06339	0.4
365.10410	1.5
405.13623	6.4
438.67990	0.3
469.20624	0.7
497.30792	5.1
498.31250	0.7
501.23041	10.6
502.23456	0.8
603.26227	0.2
628.98425	0.3
659.36072	4.6
660.36414	0.5
663.28296	9.2
664.28735	0.7
757.46899	2.8
758.48163	0.3
880.59674	0.3
892.73370	0.3
919.52264	100.0
920.52545	12.6
920.70911	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	920.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	0.3
69.60778	1.5
71.20471	0.3
76.80717	0.3
78.27312	0.3
79.87395	0.2
81.07053	0.3
83.04984	47.5
84.05314	1.0
85.02905	0.5
93.07034	0.4
111.04444	100.0
112.04787	2.3
124.00324	0.3
127.03881	0.7
127.72955	0.3
129.05499	2.2
139.67455	0.3
151.14792	0.3
153.05467	46.8
154.05864	1.7
167.57520	0.3
168.63440	0.3
171.06537	3.9
178.33084	0.3
213.07594	1.7
273.09689	2.6
315.74924	0.3
882.28473	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	920.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.4
67.05505	47.3
69.03423	2.4
69.07065	21.0
69.48521	0.8
71.04993	6.0
73.02901	2.1
77.03957	1.0
79.05492	40.9
80.05843	0.7
81.03416	7.5
81.07055	94.7
82.07372	2.4
82.31406	0.6
83.04984	8.5
83.08615	15.8
84.08961	0.7
85.02905	9.5
85.06532	3.9
91.03964	4.7
91.05477	30.8
92.05811	1.3
93.07040	40.6
94.07372	1.0
95.04967	10.4
95.08604	26.0
97.02894	4.7
97.06525	10.8
97.10165	3.0
99.04475	1.1
99.08088	2.5
103.05431	0.9
105.04508	0.8
105.07025	26.5
106.07344	0.8
107.04965	8.1
107.08591	28.2
109.06514	20.2
109.07639	1.4
109.10155	11.2
110.74625	0.7
111.08075	5.5
111.11701	0.7
115.05442	1.0
117.07002	11.0
119.06049	0.7
119.08577	18.7
121.06493	6.2
121.10136	14.1
123.08077	5.7
123.11708	7.0
125.09641	2.6
127.03917	1.5
129.06982	2.6
131.08562	14.8
131.09499	1.0
133.06561	1.1
133.10127	18.4
135.08044	6.0
135.11682	8.6
137.09612	2.8
140.28218	0.7
141.06963	1.4
143.08591	1.9
145.04930	1.4
145.10117	7.3
147.08032	1.8
147.11678	12.0
149.09612	5.6
149.13243	12.7
149.14328	0.9
151.11218	3.1
155.08574	1.6
157.10127	4.1
159.08101	0.9
159.11687	11.6
160.12079	0.8
161.09642	1.4
161.13263	3.4
163.05997	1.6
163.11179	4.5
163.14867	1.8
164.11540	0.7
165.12712	3.3
169.10123	0.8
171.11687	2.0
173.09666	1.7
173.13315	3.0
175.11197	2.1
177.12782	6.5
179.14389	0.9
183.11685	1.5
185.13272	1.2
187.14868	0.9
191.14293	0.8
193.12282	1.7
195.13762	6.4
197.13277	1.1
201.12700	1.0
207.13828	0.9
213.14786	0.9
215.23174	0.7
219.17433	0.7
227.12756	1.1
229.14244	1.0
229.19556	1.6
233.15410	0.8
239.18053	0.9
247.20566	4.0
251.16528	2.1
253.14449	0.7
257.18954	3.3
267.15839	4.8
269.17462	55.7
270.17862	2.2
273.18558	1.0
275.20044	40.9
276.20486	1.6
291.19431	0.7
293.21078	7.8
349.23718	25.6
350.24292	1.3
365.23190	1.1
367.24796	15.4
413.21506	1.1
433.30646	1.3
451.31982	1.6
463.30276	1.6
469.33051	1.5
479.29593	1.0
487.34558	0.9
515.37598	1.1
525.35840	5.5
530.40369	0.7
543.36780	100.0
544.37177	8.1
561.37823	59.8
562.38141	5.1
563.48608	0.8
687.40851	1.9
705.42035	1.3
920.56189	3.3
921.44250	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	920.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.3
67.05508	47.3
67.47971	0.8
68.05852	0.9
69.03428	2.7
69.07072	21.0
71.04998	4.9
73.02924	1.6
77.03934	1.2
79.05498	37.4
79.05961	1.9
81.03422	4.1
81.07059	86.9
83.04989	5.9
83.08627	17.3
85.02897	5.5
85.06551	4.0
91.03945	3.2
91.04896	1.4
91.05479	28.8
93.07046	47.8
95.01349	0.9
95.04978	8.0
95.08609	23.8
96.08922	1.2
97.02877	4.0
97.06525	11.3
97.10178	2.5
98.22618	1.9
99.04497	1.4
99.08101	3.3
105.04539	1.5
105.07036	24.1
107.04951	5.8
107.07867	1.4
107.08598	26.7
109.06521	20.3
109.10140	8.0
111.08118	6.2
111.11723	1.0
113.09669	1.5
117.07006	12.0
119.08586	19.4
121.06514	5.2
121.10144	15.6
123.04430	0.8
123.08096	5.2
123.11725	5.8
125.09682	1.7
127.03893	0.9
129.07022	2.5
131.08575	11.2
133.06487	1.2
133.10138	16.1
135.08073	2.7
135.11705	9.1
137.09665	2.2
139.11200	1.6
142.64491	0.8
143.08533	2.0
145.04916	1.0
145.10126	8.1
147.08070	0.9
147.11676	11.3
149.09602	6.1
149.12152	1.5
149.13271	21.3
151.11166	2.3
155.08621	0.9
157.10162	2.7
159.11720	12.7
161.09634	1.3
161.13287	2.4
163.06160	1.2
163.11197	4.9
163.14798	1.7
165.12796	3.3
167.05772	0.9
169.10141	1.3
171.11751	1.4
173.09618	1.6
173.13309	3.4
175.11209	1.6
176.39554	1.0
177.12772	4.4
179.14290	1.3
187.11270	0.9
187.14839	1.5
193.12244	1.0
195.13805	6.9
198.66313	0.9
229.19591	1.6
247.20593	1.9
251.16487	1.2
257.19058	3.6
267.16028	2.4
269.17477	62.1
270.17847	2.7
275.20071	41.0
276.20334	2.0
293.21143	6.2
304.74115	0.8
349.23737	20.0
367.24796	14.8
404.86511	0.9
413.21497	1.7
417.30051	2.2
449.29324	2.2
463.30573	7.7
505.60440	0.9
525.36053	1.8
543.36810	100.0
544.37164	7.2
561.37848	73.4
562.38116	6.1
742.46942	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	920.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.9
67.05506	59.2
68.05853	1.1
69.03423	2.0
69.07071	10.1
71.04994	16.6
73.02913	3.2
75.62283	1.2
79.05492	34.5
81.03419	2.7
81.07058	92.1
82.07365	1.3
83.04974	3.9
83.08618	8.5
85.02906	10.5
85.06544	8.4
91.03945	6.6
91.05477	24.4
93.07044	37.6
95.04971	4.1
95.08607	24.1
97.02924	5.9
97.06515	4.2
97.10173	2.1
105.04541	1.2
105.07029	15.2
107.08591	21.4
109.06467	1.9
109.10150	13.9
111.08080	2.0
117.07067	4.8
119.08569	7.4
121.10134	11.5
122.09666	1.2
122.80138	0.9
123.11696	14.0
127.03911	2.8
129.06999	1.4
131.08572	9.9
133.10123	16.9
134.10556	1.1
135.11668	8.8
143.08595	1.6
145.04973	2.4
145.10150	3.6
146.08134	1.2
147.11676	4.2
149.13188	5.7
151.11224	5.0
159.11711	6.1
161.13257	2.5
163.06052	1.6
169.12244	1.5
173.13251	2.2
177.12740	1.7
183.13828	2.3
187.13319	3.2
195.13861	1.4
227.16281	1.3
257.17538	1.4
259.20456	1.2
261.22284	2.2
269.17419	4.8
301.20074	12.7
317.24249	1.3
335.25781	24.7
336.25870	1.9
395.84454	1.2
403.78424	1.1
411.32388	1.2
435.45575	1.1
437.33612	1.0
485.36209	2.1
503.37308	83.2
504.37494	5.1
517.38531	3.9
529.39001	14.5
543.94861	1.2
547.40057	1.2
561.41504	100.0
562.41858	10.2
628.31812	1.2
654.25159	1.2
705.45880	1.4
831.46796	2.7
920.51697	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	920.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.2
67.05510	63.0
68.05847	1.0
69.03432	3.3
69.07074	12.8
70.53358	1.9
71.04998	22.1
73.02911	2.1
79.05498	40.5
81.03430	2.0
81.07061	100.0
82.07384	2.3
83.04992	5.4
83.08620	8.8
85.02909	11.9
85.06541	7.8
91.03950	6.8
91.05487	29.4
92.05757	0.9
93.07051	43.2
94.07360	1.0
95.04966	3.8
95.08611	27.5
97.02908	6.5
97.06538	5.7
97.10176	2.8
97.56867	0.7
99.08132	1.1
101.02448	0.8
105.04504	1.1
105.07034	20.7
107.08604	25.8
109.06545	3.1
109.10168	13.8
109.10838	1.4
111.08083	3.2
115.03987	1.2
117.07015	7.3
119.08590	10.3
121.06557	1.3
121.10151	15.2
123.08070	1.5
123.11719	13.7
124.12026	0.9
127.03908	2.4
129.06982	1.2
130.96872	0.7
131.08583	10.0
133.10141	19.9
135.08051	0.9
135.11699	12.8
143.08577	1.2
145.04984	3.0
145.10127	6.0
147.11673	4.1
149.09593	1.5
149.13254	6.8
151.11198	5.3
157.10129	1.6
159.11693	7.3
161.13243	3.2
163.06041	3.0
163.14833	1.6
169.12273	1.0
171.11740	1.6
173.13292	2.7
175.14838	1.0
177.12767	2.1
183.13876	2.5
185.13307	1.5
187.13322	3.6
187.14838	1.8
195.13821	1.2
197.13191	0.8
201.14827	1.4
212.27901	0.9
227.16451	2.8
246.35179	0.8
257.17508	2.3
259.20609	0.9
260.84476	0.9
261.22202	2.5
269.17508	5.3
301.20120	18.7
317.24673	1.1
335.25806	16.2
411.32516	2.6
429.33755	0.9
437.34076	2.9
445.24261	1.2
485.36652	4.0
503.37335	79.6
504.37698	8.1
511.37762	2.3
517.38824	3.4
529.30853	1.3
529.38885	24.8
530.39050	3.5
561.41528	86.2
562.41895	11.6
705.45660	1.6
920.52240	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	920.6093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.5
67.05505	69.4
68.05846	2.5
69.06725	4.0
69.07072	41.7
71.04982	4.3
79.05499	53.6
81.03416	6.0
81.07059	93.5
83.05034	5.4
83.08619	32.0
91.02041	2.5
91.05481	48.9
91.06019	4.1
93.07043	59.2
95.04971	15.8
95.08057	3.7
95.08614	52.9
96.32143	2.4
97.06553	9.4
97.10165	5.6
103.05483	2.8
105.04522	4.0
105.07034	37.0
107.04964	16.1
107.08604	31.9
109.06541	12.3
109.10159	26.2
111.08057	6.6
112.42886	2.4
117.07020	16.0
119.08572	31.6
120.47076	2.2
121.06506	8.2
121.10143	22.7
123.08073	8.6
123.11719	5.9
131.08568	21.3
133.10118	27.2
135.08070	6.6
135.11679	15.6
137.09621	3.8
143.08557	5.7
145.10127	15.4
147.08029	3.6
147.11662	15.5
149.09665	13.4
149.13289	7.9
151.11226	5.1
155.08562	3.7
157.10132	5.8
159.11723	11.5
161.09633	3.2
161.13217	4.4
163.11217	17.0
163.14839	3.1
165.12758	4.4
171.11610	6.0
173.13213	6.7
179.82809	2.3
180.22510	2.4
210.84209	2.5
239.17932	7.4
243.21178	4.1
247.20554	3.0
257.19012	8.8
261.22205	8.2
274.15573	2.5
275.20102	60.8
293.21161	15.2
331.22745	3.0
335.25800	100.0
336.26117	7.0
339.90244	2.6
349.23770	32.1
350.24194	3.4
372.63147	2.5
431.31601	3.0
463.30490	17.2
609.45166	49.3
610.45105	5.1
627.46014	13.9
723.51825	17.6
724.51215	3.0
743.08820	2.7
875.01288	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	920.6094
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	48.2
69.07081	26.3
74.40259	3.7
79.05493	41.0
81.03435	5.8
81.07056	55.9
83.05003	5.0
83.08617	21.1
91.05480	35.0
91.16587	3.4
93.07056	49.5
95.04980	13.0
95.08617	38.5
97.06546	18.6
105.07034	27.2
106.74206	3.7
107.04980	8.5
107.08590	23.7
109.06538	8.3
109.10162	17.6
117.07020	7.3
119.08553	26.3
121.06515	7.0
121.10150	20.3
125.09602	4.6
131.08566	13.5
133.10149	14.2
135.11707	11.4
145.10161	14.9
147.11717	11.9
149.09689	9.4
149.13164	5.6
159.11668	7.6
161.13313	4.6
163.11241	18.3
165.12776	4.7
187.11057	4.4
225.04277	4.3
229.19386	4.6
239.18092	6.2
257.19012	9.5
261.22141	6.3
275.20053	66.5
289.35641	4.5
293.21097	12.8
305.60541	4.4
335.25833	100.0
336.26233	5.3
349.23672	56.2
350.24054	4.0
431.31473	7.8
463.30911	20.0
609.44916	45.7
610.45569	6.7
627.45935	14.1
723.51514	17.9
735.47931	5.8
756.88318	4.4
885.31732	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	923.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.4
69.03432	2.8
69.07077	0.6
70.47796	0.7
70.52303	0.3
71.01370	0.5
71.05009	1.6
73.02919	3.4
79.05486	3.0
79.05897	0.4
81.03423	3.9
81.07076	2.0
82.48288	0.4
83.05003	1.1
83.08647	1.1
85.02906	4.5
87.03854	0.3
87.04509	0.7
91.03953	2.3
91.05475	3.1
93.07040	2.2
95.04980	1.9
95.08624	1.0
97.02888	5.6
97.03422	0.4
97.06541	0.4
99.04482	0.9
101.02408	1.3
105.07024	1.9
107.08614	1.5
109.02911	0.8
111.08092	0.5
115.03957	0.4
117.07185	0.4
119.08611	1.6
121.06507	1.8
121.10148	1.7
127.03963	1.4
129.07040	0.8
131.08606	1.6
133.06717	0.4
133.10208	0.8
145.04955	0.6
145.21072	0.4
147.11755	1.2
149.09587	2.0
157.10188	0.9
175.11237	0.8
182.99759	0.4
185.04303	0.6
186.24217	0.4
193.12300	1.8
197.15471	0.6
201.03825	0.4
203.05336	0.8
225.14830	0.5
243.08560	1.5
245.06535	0.4
267.16058	1.1
283.15164	3.8
304.05447	0.3
339.17969	1.2
347.09457	2.3
347.36246	0.4
365.10757	1.0
405.13657	5.4
406.14542	0.4
422.62906	0.4
441.21222	0.5
469.20728	1.1
501.23062	16.7
502.23727	1.2
599.34540	0.4
663.28296	15.3
664.29138	1.7
761.38934	2.2
882.01178	0.5
923.44489	100.0
924.44855	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	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	3.1
69.03447	4.5
70.56789	1.1
70.57112	2.5
71.05011	1.3
73.02943	3.6
74.50268	0.9
77.73466	1.1
79.05508	2.9
81.03443	3.1
81.07076	4.0
85.02914	7.1
91.03991	2.8
91.05508	2.8
93.07078	3.0
95.08619	3.1
97.02900	5.6
99.04481	1.1
101.02449	1.7
105.07071	1.1
109.10182	1.7
121.71571	1.0
133.10194	1.2
185.04305	1.2
224.75569	1.0
267.03470	1.2
267.16034	1.2
272.21567	1.1
285.03256	1.1
347.09653	2.1
405.13931	4.6
485.23840	3.3
519.29657	4.2
647.29413	3.2
681.34808	6.8
763.46350	1.8
925.51318	100.0
926.51166	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	925.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.7
69.03436	3.9
69.07092	1.0
71.01357	0.5
71.04996	2.0
73.02925	3.3
79.05486	2.2
81.03429	1.9
81.07055	4.6
85.02904	5.3
87.04487	0.5
91.03960	2.9
91.05459	2.5
93.07041	2.8
95.04973	0.5
95.08608	1.8
97.02895	5.3
97.06536	0.6
98.23459	0.9
99.04498	0.9
101.02407	1.6
105.07069	1.6
107.08636	1.4
109.02921	0.9
109.10179	0.9
117.07019	0.4
119.08626	0.6
121.10144	0.6
122.93715	0.3
127.03989	1.6
131.08595	1.1
133.10129	1.8
135.11746	0.8
149.13274	0.6
151.11208	0.6
160.32237	0.4
185.04337	0.8
203.05286	0.7
243.08453	2.2
267.15842	0.9
323.18069	0.6
347.09415	2.0
365.10831	1.1
405.13736	5.6
441.21396	0.5
453.21255	0.7
485.23486	5.6
505.63037	0.5
519.29523	3.2
641.04712	0.5
647.28748	8.1
648.29889	0.6
681.34637	3.6
682.35913	0.5
697.01965	0.4
763.45874	1.1
925.51300	100.0
926.51648	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	926.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	5.7
66.04706	1.2
67.05502	1.1
68.99812	1.2
69.02731	1.1
69.03406	1.4
69.18159	4.8
69.18558	2.5
75.04462	1.0
77.03945	1.5
78.04706	1.6
79.05505	7.0
81.03436	5.0
81.07064	1.1
85.02907	2.5
89.03941	1.9
91.05482	23.9
91.06011	1.7
91.21877	1.2
92.05834	1.4
93.07061	5.7
94.04192	1.9
95.04964	6.1
96.93772	1.2
97.06566	1.6
103.05473	18.7
105.03402	2.7
105.04539	1.4
105.07030	7.2
106.04164	1.9
107.04956	17.7
108.91087	1.0
109.06522	2.2
110.03670	2.0
111.04433	2.9
115.05459	8.6
117.03398	1.1
117.07024	6.7
118.04213	2.5
119.04955	9.1
120.05744	1.7
121.02869	1.7
121.06511	29.2
121.07351	1.7
122.03674	4.5
123.04459	7.6
124.05226	3.6
125.06023	3.6
128.06273	2.1
129.07051	3.6
130.04092	1.3
130.36800	1.1
131.04927	15.9
131.08649	2.4
132.05734	2.6
133.02853	13.2
133.06497	7.6
134.03650	1.8
135.04434	4.8
135.08037	1.4
136.07603	11.1
137.05989	35.9
137.07056	2.2
143.04965	3.3
144.05693	3.8
145.02853	1.8
145.06482	12.7
147.04443	9.6
147.08076	3.6
148.05193	6.5
148.07573	8.0
149.06003	8.9
151.03926	11.3
151.07533	8.4
152.04700	4.4
153.05510	4.7
155.05995	2.4
156.05699	3.4
157.06531	2.0
159.08095	4.5
160.05209	2.3
161.05978	12.6
163.03926	4.2
163.07536	14.8
164.07069	5.5
165.05504	5.4
165.06750	1.4
167.07042	100.0
167.49834	1.2
168.07430	3.1
173.06003	13.9
174.06766	2.5
175.07579	7.6
176.04686	2.5
177.05467	6.9
177.06822	1.3
179.07065	3.4
181.04961	63.5
181.08528	1.9
182.05321	1.6
185.05945	1.6
187.07532	5.6
188.08318	1.3
189.05481	1.9
189.09151	2.7
190.06314	3.7
191.03471	3.4
191.07028	43.7
191.08702	2.7
192.07474	3.1
193.05034	5.4
193.08646	3.3
194.07249	1.5
195.06508	3.7
195.08119	2.3
201.05507	2.8
201.09210	1.4
202.06194	2.1
203.06981	6.8
203.73868	1.2
205.06560	2.7
205.08652	7.6
205.10275	1.2
207.06467	5.6
207.08264	2.6
207.10095	2.3
209.08061	2.6
211.07614	2.6
213.09093	1.3
217.08591	10.5
219.08205	2.3
219.10191	4.9
221.06042	1.5
221.07976	1.8
222.06700	1.3
223.07571	3.0
225.05499	1.4
229.08684	1.5
231.08197	2.2
233.06059	2.1
233.07970	5.6
234.06839	3.1
235.07552	3.0
235.09688	9.0
236.08318	1.5
237.09123	2.9
241.08606	3.3
245.08130	3.7
247.07573	3.1
247.09767	2.3
248.08365	2.8
249.05446	1.9
249.09114	3.7
251.06999	2.6
253.08578	1.9
255.10150	3.1
261.09033	1.6
262.06323	1.4
263.06842	2.5
263.09268	8.5
264.07855	1.6
265.08649	4.7
267.10385	1.7
269.07886	1.2
271.09576	1.2
276.07849	2.4
277.08673	5.1
278.09229	1.9
279.06683	2.4
279.10190	4.0
280.07190	1.5
281.08231	1.9
281.11618	1.9
282.09000	1.2
283.09686	3.2
285.11209	1.6
290.09357	1.4
291.10165	1.7
292.07373	1.6
293.08035	3.7
293.11679	1.7
294.08740	2.4
295.09473	2.2
296.10434	1.6
297.07498	1.0
297.11282	5.0
299.09152	1.4
305.08325	2.8
307.09558	6.1
308.06714	1.7
308.10117	1.5
309.07993	1.3
309.11273	3.9
310.11380	1.9
311.08917	2.3
312.12482	1.9
313.10806	1.7
315.08688	1.7
320.10257	1.4
321.07407	2.7
322.08395	2.9
323.09119	3.2
324.09512	1.9
325.10800	7.9
326.11441	1.9
327.12256	13.8
328.12296	1.6
329.10138	3.0
330.13669	1.8
335.09167	2.0
336.09927	1.6
337.10593	6.1
338.07330	1.2
338.11417	2.1
339.12189	7.2
340.13159	1.5
341.10254	4.2
351.12216	3.6
353.09991	2.7
353.14017	2.0
355.11801	7.1
357.13080	6.2
367.11737	4.5
369.13342	24.9
370.13885	2.8
371.10977	2.4
371.14923	4.0
381.13538	5.7
383.14926	5.8
385.12888	6.8
387.14294	7.7
397.12848	2.4
399.14423	11.1
400.14508	1.9
415.13782	2.1
416.14609	7.2
417.15442	28.0
418.16217	2.9
490.18527	2.6
492.19763	2.9
508.19827	2.9
512.26862	1.2
547.19995	1.8
554.25970	1.4
565.20636	23.2
566.20996	1.8
615.93518	1.2
693.22559	1.5
705.23059	1.5
723.24341	1.6
728.26221	3.0
741.24365	2.2
781.26355	1.3
789.26361	3.6
878.32794	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	928.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.2
69.03430	0.2
77.03945	0.1
79.01857	7.5
80.02202	0.1
81.03423	1.2
87.00808	0.2
91.05496	0.1
91.52732	0.1
95.01348	0.2
95.04881	0.1
97.02889	2.2
98.23415	0.4
99.04463	0.2
103.05463	0.2
105.07066	0.1
107.01312	1.5
107.04982	0.1
109.02889	1.7
115.05444	0.3
123.00774	0.5
123.78520	0.1
125.02352	3.3
127.03918	2.0
131.04935	0.8
133.06503	0.2
135.04388	0.2
143.03401	8.1
144.03749	0.2
145.02794	0.1
145.06471	0.2
147.04489	0.2
151.03911	0.1
153.01833	100.0
153.02901	6.5
154.02159	2.1
154.03275	0.1
159.04431	1.4
161.05968	0.5
163.03918	1.9
171.04443	0.3
173.05978	0.2
175.03891	0.1
177.01834	0.8
177.05479	1.0
179.03392	0.2
181.01291	0.2
187.03865	1.0
189.05467	2.0
191.03401	4.7
192.03809	0.2
195.02805	0.1
197.00829	0.2
201.01877	0.2
203.03505	0.1
205.01334	1.1
205.04947	3.1
207.02910	0.4
209.04509	0.4
215.03381	1.2
217.04936	0.6
219.02888	8.9
220.03305	0.3
221.04527	0.2
231.02885	0.2
233.04443	4.6
234.04716	0.2
235.02330	0.1
237.03951	1.5
243.02895	1.7
247.02388	4.4
248.02850	0.2
249.03947	0.3
261.03949	15.4
262.04324	0.6
270.45377	0.1
275.01859	12.8
276.02298	0.5
279.04999	1.1
293.02914	2.1
297.06015	0.4
305.02911	2.5
335.03943	1.6
401.00229	0.2
401.05002	1.4
419.06049	0.7
436.49237	0.1
436.68350	0.1
437.07123	0.1
452.60794	0.1
535.05139	0.2
553.06122	2.7
554.06268	0.2
571.07111	3.1
572.07617	0.2
589.08417	1.0
723.07135	0.2
741.09229	4.3
742.08936	0.4
893.10107	1.9
894.09668	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	930.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	1.1
69.03439	0.2
69.36143	0.3
69.36556	0.5
71.04989	0.4
73.19691	0.2
81.03423	2.9
85.02912	0.5
89.03921	4.7
91.05489	0.3
97.02929	0.2
99.04471	0.7
99.17561	0.1
102.48460	0.1
103.05483	0.2
106.04148	0.4
109.02892	4.8
110.03154	0.2
117.03384	14.3
118.03699	0.4
127.03918	5.1
134.03644	1.0
135.04414	0.8
145.02852	47.3
146.03171	1.4
149.05983	5.3
158.06065	0.3
163.03883	0.5
177.05475	100.0
178.05806	2.9
186.05550	0.8
195.06503	0.3
215.07133	0.2
242.05614	0.2
243.06612	0.3
259.09564	0.5
285.07486	1.0
303.08633	20.4
304.08817	0.8
321.09979	0.2
363.10672	1.4
381.11783	0.9
501.17264	0.1
515.15521	8.9
516.15552	0.5
647.06982	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	931.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
80.82478	2.4
133.93361	3.1
308.02856	3.4
309.03708	7.2
333.07874	21.4
335.09521	13.2
345.04605	5.7
471.15479	5.5
471.22040	92.3
472.22101	3.9
483.08987	100.0
484.09741	3.3
703.37976	3.2
709.52246	3.1
889.17438	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	932.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	3.5
67.05505	46.1
68.05848	0.7
69.03433	2.2
69.07069	17.6
71.04984	3.2
73.02913	1.3
73.06541	0.8
77.03929	1.0
79.05492	65.7
80.05827	0.9
80.59719	0.5
81.03424	8.4
81.07056	90.6
82.07404	1.8
83.04978	11.6
83.08613	16.2
85.02902	4.6
85.06538	3.4
91.03952	2.6
91.05479	53.7
92.05823	1.4
93.07042	53.5
94.07366	1.3
95.04967	20.0
95.08603	29.4
96.08899	1.2
97.02904	2.7
97.06526	8.8
97.10165	3.5
99.04459	0.9
99.08084	2.6
103.05470	1.9
105.04537	2.1
105.07028	44.8
106.07381	1.4
107.04959	10.9
107.07863	1.2
107.08591	21.0
108.08893	0.7
109.06519	26.9
109.10152	9.0
111.08076	4.2
113.09689	0.7
115.05472	1.7
115.52348	0.6
117.07011	11.7
119.08582	30.8
120.08928	0.9
121.06511	5.2
121.10146	13.2
123.08062	9.4
123.11694	5.0
125.09596	0.9
127.03915	1.1
127.07581	0.8
128.06236	1.6
129.07007	13.2
130.07654	1.0
131.08571	12.2
133.06520	1.6
133.10132	19.5
134.10466	1.1
135.08047	3.9
135.11682	6.1
137.09631	2.5
137.13239	0.8
139.07578	0.7
141.06987	1.5
143.08557	7.5
145.04979	0.6
145.10120	13.4
147.08060	2.6
147.11682	33.7
148.12004	1.3
149.09612	6.8
149.13274	5.0
151.11168	1.7
155.08557	1.6
156.09335	1.2
157.10132	3.4
159.08040	1.0
159.11679	7.0
161.09650	3.1
161.13266	9.0
163.06085	0.6
163.11179	6.9
163.14851	2.2
165.12775	2.7
169.10182	1.7
171.11687	15.0
172.12053	0.7
173.09651	1.5
173.13269	3.2
175.11226	2.3
177.12740	1.5
179.14308	1.5
183.11687	1.5
185.13196	1.0
187.11110	1.2
187.14792	1.1
189.12752	6.1
191.00758	0.6
191.10724	0.7
191.14330	0.7
193.12225	1.5
195.13817	0.7
197.13388	1.1
201.12810	0.9
207.13809	15.3
215.18134	1.2
219.17363	0.8
223.13364	1.2
223.25734	0.7
225.14864	0.8
229.19566	1.9
230.20174	0.7
239.18022	1.1
247.20616	3.1
253.14371	0.9
257.19012	2.8
263.16333	0.8
267.15991	2.2
273.18399	0.7
275.20059	48.5
276.20490	2.2
279.15961	1.0
281.17465	65.7
282.17953	2.7
283.15546	1.0
293.21130	5.4
349.23721	26.1
350.24100	2.1
367.24783	12.4
368.25085	1.0
391.24997	0.8
429.30011	2.2
491.29782	1.0
537.35632	2.6
555.36780	100.0
556.37115	12.0
573.37854	63.1
574.38129	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	932.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.0
67.05512	25.4
67.05838	1.7
68.94122	0.5
69.03376	1.5
69.07075	8.5
70.53005	1.3
71.04955	1.0
71.08638	16.5
71.09250	0.6
73.02909	3.1
79.05501	17.2
81.03355	1.0
81.07063	32.4
82.07356	0.9
83.04955	0.7
83.08624	8.9
85.02911	11.7
85.06522	1.1
85.10184	9.3
89.05972	1.3
91.03963	8.2
91.05482	8.0
93.07052	21.1
95.04917	1.3
95.08614	33.0
97.02900	7.5
97.06502	1.2
97.10172	4.0
99.04456	1.1
99.08044	1.0
103.07532	0.9
105.07035	5.4
107.08601	11.5
109.02830	0.6
109.10163	12.9
111.08057	0.7
113.09565	0.6
113.20627	0.6
115.03889	0.7
117.06981	2.3
119.08582	5.8
120.61507	0.5
121.10149	10.4
123.07986	0.7
123.11720	6.1
125.09613	0.6
126.21731	0.6
127.03932	3.9
131.08585	4.5
133.10146	5.5
135.11703	10.0
137.13208	2.2
145.04988	4.6
145.10146	5.4
147.11714	3.6
149.13251	6.0
151.14713	0.6
159.11719	3.3
161.13246	3.5
163.06001	6.5
163.14812	4.7
173.13297	4.7
175.14761	1.6
177.16327	1.5
187.14844	1.9
201.16351	0.9
215.17996	0.5
229.63771	0.6
233.22655	1.1
234.90923	0.4
239.23683	3.5
243.21117	8.6
244.21445	1.0
254.71597	0.6
257.24759	1.5
261.22165	38.7
262.19772	0.5
262.22418	2.2
279.23233	1.4
311.25592	0.6
313.27380	100.0
314.27814	4.6
317.24728	6.3
333.24014	0.5
335.25830	77.3
336.26099	5.3
346.95749	0.5
353.26956	0.6
499.44946	1.4
573.48804	37.1
574.49011	4.1
591.49713	6.4
592.49847	0.6
609.67749	0.5
641.11646	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	934.6455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	28.9
67.99452	3.2
69.07054	14.0
69.56467	7.4
69.56874	15.4
70.04963	3.2
71.08631	18.7
73.02907	3.8
74.47586	3.3
79.05474	9.9
81.07067	40.8
83.08620	12.1
85.02915	10.0
85.10190	13.4
89.71354	3.2
91.05484	8.0
93.07021	7.8
95.08609	33.5
95.23974	3.1
97.02916	7.5
97.10147	8.2
98.22679	5.1
103.51680	3.5
105.07027	5.5
107.04935	5.6
107.08607	5.3
109.10173	13.8
119.08553	4.3
123.11747	7.1
145.04929	4.3
161.13252	3.6
163.11188	5.4
163.68565	3.5
196.45352	3.3
204.04305	3.1
219.17407	3.8
269.97754	3.2
313.27380	100.0
314.27826	7.3
337.27362	56.2
511.17035	3.5
527.30066	4.8
575.50409	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52930	0.2
70.44763	0.5
78.98145	0.2
81.03439	0.7
89.03944	0.6
91.05499	0.3
106.32869	0.3
109.02911	0.5
117.03372	1.7
121.68637	0.2
136.71118	0.2
145.02843	3.1
146.03239	0.3
147.04411	0.5
149.06047	0.3
167.07040	0.3
170.01721	0.2
177.05464	3.7
177.06793	0.3
178.05864	0.3
199.03706	0.4
205.04602	0.3
207.51662	0.2
236.08098	0.2
302.60202	0.3
340.19550	0.2
343.07889	5.3
361.09097	0.3
403.10077	0.3
421.11020	1.8
537.13672	6.1
555.14685	3.7
833.38696	0.3
935.25751	100.0
936.25940	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	935.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04984	0.6
71.14513	0.9
71.68217	0.3
78.64482	0.3
79.55214	0.4
82.99872	1.0
85.02941	0.6
94.99845	0.7
101.00863	2.5
104.74857	0.4
109.01397	0.8
113.00870	1.2
115.02432	1.1
118.79934	0.5
119.01923	7.5
124.03943	0.9
127.02373	2.0
129.03897	0.6
131.01892	4.2
133.03481	3.0
137.02928	0.7
139.02388	0.6
143.01891	14.1
145.03453	11.0
147.01399	0.7
149.02994	0.4
153.03964	0.9
155.01886	6.1
157.03473	6.1
159.05069	0.7
161.02953	15.2
162.03021	0.4
163.04558	2.3
165.05673	0.4
167.01917	1.2
169.03459	76.2
170.03601	3.6
171.05026	7.0
173.02954	8.2
175.04530	3.5
181.03456	7.3
183.04970	0.6
185.02972	3.7
185.06572	0.5
187.04515	100.0
188.04698	3.9
189.06152	2.3
193.03517	0.7
197.06648	0.4
199.04509	9.3
200.04633	0.5
203.03984	1.5
205.05673	0.7
210.06078	2.6
211.04524	3.1
211.08163	0.4
213.06099	1.4
215.04008	0.6
225.06105	1.3
229.05566	48.2
230.05782	2.6
239.07635	1.5
243.07170	1.2
247.06639	22.4
248.06802	0.9
257.08670	1.4
259.06555	0.5
263.05872	0.6
270.08176	0.9
271.06619	0.5
276.22076	0.4
276.41678	0.4
283.47327	0.4
289.07660	72.1
290.07806	3.7
299.09848	2.6
307.08725	17.8
308.09109	0.9
330.10327	1.1
333.11368	0.6
349.09775	43.6
350.10117	2.0
359.11844	7.6
367.10812	1.2
409.11929	8.8
410.12027	0.7
417.17307	2.3
419.14099	4.7
454.80157	0.4
479.16519	27.9
480.17258	1.9
897.53436	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	936.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02152	5.4
81.03413	1.1
84.88597	0.6
88.92263	0.7
89.03914	1.9
91.05484	11.7
93.07052	11.2
93.98481	0.6
95.04998	3.9
103.05459	8.9
105.04510	1.8
117.03412	5.1
119.04935	2.6
120.05727	14.0
121.06512	64.6
122.03679	1.0
122.06854	1.5
128.57970	0.6
130.03365	0.7
130.88756	0.6
136.07597	1.4
137.05981	9.5
138.09145	4.1
145.02838	11.7
146.05960	0.9
147.04398	2.2
149.05989	2.3
151.03925	9.8
151.05042	1.6
151.07555	5.3
152.07097	2.0
161.05936	0.6
164.07048	4.4
167.07018	0.6
177.05470	21.2
177.07008	1.1
189.07150	0.8
201.05414	0.8
205.06476	1.1
207.08119	1.2
212.86450	0.7
218.07341	1.8
222.06708	0.7
224.07068	1.2
225.05411	3.7
229.06619	0.9
231.08060	0.8
233.05922	1.1
233.09753	0.7
235.07587	5.6
237.09265	0.9
246.06860	2.1
247.07617	1.5
248.08321	1.9
249.05435	1.2
249.09267	1.2
250.06363	1.1
258.06854	0.7
259.07257	1.0
259.09702	8.5
261.05603	1.4
261.09097	4.9
262.06345	1.9
262.09717	0.9
263.07062	4.7
264.07855	5.9
265.08563	2.3
268.05988	0.9
272.12811	4.3
274.06277	2.6
275.07144	1.7
276.07870	2.5
277.05179	1.1
277.08606	3.9
278.05734	1.2
278.09293	1.4
279.06656	1.0
280.07397	2.2
287.07193	3.3
288.07855	1.2
289.05008	2.0
289.08643	5.9
290.05685	1.2
290.09058	1.1
291.06552	6.0
291.10104	3.0
292.07364	11.5
293.08063	5.3
293.11368	1.1
295.06201	1.3
295.09708	0.8
300.04251	0.9
301.04935	0.8
302.05661	0.9
303.06412	1.5
304.07123	4.0
305.07990	2.7
306.08563	5.4
307.09531	20.8
308.06592	1.7
308.10278	0.8
309.07581	1.1
314.05780	0.6
315.06534	7.4
316.07129	0.9
317.04449	1.6
317.08014	1.2
318.04999	0.7
318.08618	0.9
319.06015	9.5
319.09543	4.7
320.05981	0.8
320.09241	1.8
321.07559	1.7
321.11301	11.7
323.05569	2.3
323.09518	2.6
324.06290	5.8
329.07672	0.8
331.05988	1.8
332.06598	4.2
333.07489	4.3
334.08249	1.0
335.07932	13.9
336.06393	4.3
336.09741	0.9
337.07855	0.9
338.07813	16.4
347.09128	14.9
348.08780	1.4
349.10800	18.3
350.10522	2.8
351.08719	2.9
361.08478	1.0
364.06421	0.9
366.08981	1.2
367.09723	2.4
368.10703	0.7
375.08630	6.6
378.09024	1.1
379.09726	1.8
388.11847	6.4
390.09314	0.8
393.11383	1.3
394.08224	0.9
396.10092	0.9
407.09314	0.9
409.10849	1.0
410.11588	0.9
411.12589	1.2
413.10016	0.8
418.09100	1.4
421.10651	1.9
436.09985	0.7
437.10291	2.8
439.11935	7.8
440.13538	0.8
441.13599	1.2
443.14804	2.7
450.07761	0.9
454.10495	1.5
454.16446	1.1
455.12811	1.0
456.12262	1.5
465.09659	4.9
469.12598	3.3
470.16003	100.0
471.14926	14.6
472.17383	0.9
473.15921	2.5
475.18549	0.7
482.10074	1.1
482.16010	22.4
483.16116	1.7
484.17624	5.3
496.13821	1.1
497.12418	8.3
498.15509	3.6
499.13864	4.8
510.15335	3.2
512.17157	5.1
538.15039	19.6
539.15393	2.4
606.21167	18.3
607.21393	1.3
608.12781	1.0
608.22760	16.8
609.23370	2.0
610.24622	2.3
634.20697	18.1
635.21423	1.8
636.22296	8.2
636.77191	0.7
644.18842	1.1
662.20190	21.2
663.20288	3.2
675.23633	1.3
771.29089	34.7
772.29517	3.8
773.30048	3.6
774.31506	0.7
799.28619	32.2
800.28815	5.0
884.82196	0.6
936.37115	13.9
937.37091	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	936.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39051	8.7
77.03935	1.9
85.02875	1.6
91.05486	21.2
93.07044	16.0
95.04991	7.6
103.05459	16.9
105.04522	2.9
107.04963	2.3
119.04977	3.1
120.05727	6.3
121.06512	100.0
121.82008	1.6
133.02873	9.1
135.04417	2.7
136.07579	7.5
137.05983	17.4
149.06001	3.6
151.03969	3.2
164.04704	2.2
164.07065	8.5
165.05447	3.2
185.06081	2.1
189.07010	3.7
201.05457	4.8
207.08052	2.3
217.07364	2.0
218.07324	2.4
219.08154	2.9
220.05144	5.0
225.05399	2.0
234.06699	2.7
235.07555	19.5
237.09117	2.8
247.07516	2.3
250.06314	1.9
261.09097	3.2
263.07050	24.7
264.07458	2.5
267.10126	1.6
275.07123	1.6
276.07953	3.0
278.05716	2.2
280.07175	3.4
287.07098	2.3
289.08411	2.8
291.06528	2.6
291.09589	1.6
292.06985	2.5
293.07803	1.7
306.08725	2.4
307.09576	2.9
308.06683	3.1
315.06610	1.9
320.12680	2.9
321.07620	2.0
321.11185	5.9
323.09079	7.7
325.08865	1.9
332.06689	2.9
339.10916	1.6
347.09216	10.5
349.10764	7.8
354.08679	2.2
355.09735	2.2
366.08749	2.3
367.09790	2.1
375.08621	17.6
381.11426	2.6
383.09055	3.1
385.10739	3.8
388.11658	2.4
395.09164	2.1
396.09738	3.4
409.10834	2.2
413.10059	5.2
418.09244	4.2
421.10870	2.1
428.12375	7.6
437.10608	3.8
439.11923	4.8
441.09866	3.4
442.16385	5.9
454.10333	2.5
455.11447	2.2
456.11905	7.8
465.09537	4.8
467.07559	2.5
469.13153	3.6
471.14340	33.7
472.14478	2.8
482.09875	7.4
483.10349	2.0
484.17328	2.1
497.12375	13.1
512.16974	15.9
513.16986	1.8
514.14642	2.2
538.14954	27.6
539.15167	2.8
608.23035	8.9
634.20746	48.3
635.20752	5.7
636.21973	3.4
651.23383	1.8
662.19513	4.4
675.23212	8.9
771.29114	55.2
772.29559	8.5
799.28558	92.1
800.28809	14.3
936.43756	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	936.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.9
69.13658	4.6
69.14071	14.6
79.05501	3.0
81.07051	3.8
90.10290	2.2
91.05489	20.4
93.07053	10.1
95.04946	4.9
103.05486	8.3
107.05009	3.6
119.04964	11.1
120.05748	4.5
121.06516	72.0
121.10331	2.5
123.56852	2.7
131.04922	4.1
136.07588	12.9
137.05986	29.0
137.92989	2.5
138.09190	5.3
145.02898	6.1
147.04430	7.3
151.03885	4.6
161.06020	12.3
164.07156	6.7
173.06055	2.7
174.06778	4.3
175.03931	9.0
177.05441	11.0
177.06915	3.2
178.45755	2.3
184.07379	3.8
187.03922	5.6
188.35797	2.7
193.06474	2.6
195.08083	5.8
201.05481	12.4
205.06592	8.8
210.12686	3.0
221.06003	7.9
222.06825	7.9
223.07536	9.0
225.09053	3.2
233.06047	12.1
234.06915	4.2
235.07574	5.9
237.05420	3.8
237.09221	9.3
239.07043	2.5
247.07524	3.8
249.05605	4.0
250.06319	5.5
251.07133	9.4
253.04945	3.4
253.08609	8.1
263.07159	7.9
264.07605	4.0
265.08667	22.7
266.09579	2.9
267.06647	3.5
267.15833	3.0
268.07355	7.5
269.08115	5.1
272.13031	3.9
274.06241	3.0
279.06674	4.5
279.10327	2.5
281.08075	6.6
281.11588	3.1
282.08887	6.0
283.09729	8.3
285.11209	3.6
292.07309	5.0
295.09515	4.8
296.06802	7.5
296.10452	4.7
297.11151	30.3
298.11917	37.3
298.14816	4.1
299.12219	3.1
309.07587	6.4
311.09152	10.3
315.06433	2.8
323.09308	5.8
324.06699	2.9
324.09695	13.1
332.06705	2.7
339.08585	9.2
349.06961	4.1
375.08603	3.8
456.11935	13.7
460.17343	4.3
461.18478	4.4
472.17853	4.0
473.15967	12.1
481.13263	13.1
482.09677	13.2
486.15234	2.9
499.13895	31.5
500.14529	4.1
525.11865	8.0
530.85767	3.0
610.24506	13.2
636.22284	100.0
637.22296	7.9
650.75397	2.7
662.20245	23.4
663.20850	3.1
773.30804	31.0
799.28247	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	936.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.6
67.05508	46.2
69.03436	9.0
69.07076	19.3
71.04987	7.1
73.02935	1.9
77.03983	1.2
79.05007	1.3
79.05495	54.0
81.03421	55.8
81.07058	49.5
81.07455	1.1
82.07397	1.7
83.04987	23.0
83.08621	46.2
85.02906	29.7
85.06544	2.4
91.03958	2.7
91.05485	49.9
93.07048	47.4
93.07635	2.6
95.01300	1.3
95.04974	83.7
95.08614	31.3
96.05293	1.9
97.02900	6.6
97.06531	10.4
97.10178	12.0
99.04464	5.6
99.08122	3.2
99.91780	1.0
103.05493	1.3
105.07034	46.9
107.04969	20.5
107.08603	34.9
109.06525	11.8
109.10142	10.6
111.04447	11.8
111.08086	12.5
113.05991	1.5
115.05432	2.0
117.07037	12.1
119.04930	1.2
119.08588	31.7
121.06499	8.4
121.10153	24.4
123.08067	9.9
123.11706	4.1
125.09631	12.3
127.03927	1.8
128.06274	1.8
129.05544	1.5
129.07013	12.4
131.08568	24.8
133.06503	2.2
133.10135	25.8
134.10457	1.5
135.08067	7.5
135.11685	11.5
137.05972	1.2
137.09618	5.1
139.07513	1.3
139.11243	1.8
141.07001	1.4
142.07776	4.0
143.08574	4.1
145.06480	2.1
145.10118	22.3
147.08078	6.4
147.11696	24.3
149.09628	31.4
149.13295	1.8
150.10010	1.3
151.11186	3.9
153.09116	1.4
155.08578	2.2
157.10121	14.8
159.11679	9.1
161.09642	2.4
161.13261	3.3
163.06116	1.3
163.11183	31.1
165.12798	6.4
169.10132	3.7
169.55876	1.0
171.10257	1.3
171.11720	3.9
173.09625	3.3
173.13290	4.4
175.11176	11.5
175.14798	1.3
177.12753	5.3
181.12325	1.4
185.13264	1.6
187.11194	2.8
189.11241	9.4
191.10721	1.9
193.12250	38.2
197.13350	1.2
199.14818	2.0
201.12773	1.8
205.12270	6.1
211.13304	55.0
212.13708	2.0
223.13298	38.3
224.13629	1.7
227.12840	2.7
229.19498	4.4
239.17943	4.4
247.20502	2.0
249.14920	1.7
257.18976	9.9
267.15918	31.9
268.16232	1.6
269.17542	1.8
275.20081	65.0
276.20407	2.6
285.16983	62.0
286.17242	2.3
293.21124	40.3
293.24423	2.0
294.21552	1.8
337.43872	1.1
349.23727	31.8
350.24045	1.4
364.16107	1.3
367.24811	49.9
368.25037	3.8
439.26709	1.3
479.29636	1.6
489.28397	1.6
523.34131	1.2
536.05566	1.2
541.35242	23.0
542.36096	1.7
559.36334	63.6
560.36609	6.7
577.37329	100.0
578.37885	8.8
610.98126	1.3
721.40533	1.5
867.85767	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	936.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.9
67.05511	52.4
69.01676	10.4
69.03429	6.9
69.07074	19.8
71.04998	5.3
73.02912	3.5
79.05498	47.1
81.03424	44.5
81.07062	94.7
82.07407	2.3
83.04993	15.6
83.08624	26.4
84.08947	1.4
85.02908	21.9
85.06551	4.0
91.03970	6.2
91.05486	48.2
93.07050	42.4
95.04974	28.1
95.08613	29.7
97.02896	8.9
97.06535	12.7
97.10178	8.2
98.22618	2.5
99.08090	2.8
101.06120	1.5
103.05496	2.2
103.81622	1.3
105.04542	2.0
105.07034	44.4
107.04964	11.8
107.08595	26.1
109.06520	27.5
109.10149	11.3
111.04465	4.0
111.08087	10.3
113.06010	3.0
117.07038	10.1
118.07742	1.1
119.08585	31.7
121.06496	7.7
121.10134	19.0
123.08081	10.6
123.11717	6.1
125.09650	7.6
127.03934	1.7
127.07556	1.1
129.07005	11.2
131.08577	21.4
133.06450	2.9
133.10143	24.9
135.08040	6.1
135.11707	7.8
137.09665	4.3
141.07036	1.4
143.08586	4.3
145.05006	1.9
145.10106	13.2
147.08095	5.7
147.11702	26.1
149.09634	11.3
149.13269	8.4
151.11203	4.4
153.12724	2.1
155.08565	2.2
157.10150	12.9
159.08257	1.5
159.11696	10.0
161.09641	3.5
161.13240	2.7
163.05991	1.4
163.11201	9.8
163.14857	1.8
165.09117	1.7
165.12758	4.7
169.10161	2.3
171.11736	3.8
173.09589	1.6
173.13326	3.7
175.11157	11.3
177.12788	2.9
181.12216	2.0
183.11687	2.3
189.11255	2.7
193.12248	25.3
195.13866	3.7
211.13307	31.9
211.15184	2.7
223.13245	2.6
227.12747	6.4
229.19646	3.0
234.97357	1.4
239.18037	1.7
247.20808	2.3
249.14922	1.8
257.19067	4.8
267.15903	27.0
269.17477	18.6
273.18518	7.0
275.17093	2.9
275.20087	47.5
276.20267	3.0
285.16986	46.7
286.17322	2.4
291.19565	12.7
293.21115	11.0
338.74136	1.3
347.22388	2.5
349.23801	32.1
365.23203	7.8
367.24838	27.9
433.29578	1.7
461.29114	1.9
463.31009	2.0
467.31616	5.0
479.29892	3.5
485.32547	3.5
501.32266	1.5
523.33942	1.8
541.35278	39.2
541.43475	1.9
542.35675	4.6
559.36304	100.0
560.36682	10.0
577.37323	74.9
577.44812	1.2
578.37561	9.9
685.39044	1.4
703.40082	2.3
715.91168	1.3
937.43237	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	936.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	68.5
69.07066	13.3
71.04973	13.6
71.30082	11.7
71.59449	10.9
79.05505	40.8
81.03434	43.2
81.07046	90.5
83.04989	12.4
83.08640	33.1
85.02924	39.6
91.05508	48.5
92.85388	8.9
93.07057	46.9
95.04985	46.7
95.08633	28.6
97.06528	16.3
98.23122	10.8
105.07043	43.6
107.04948	13.8
107.08614	27.4
109.06525	19.2
111.08086	10.8
119.08607	38.8
121.06519	38.2
121.10126	19.0
133.10152	26.7
138.05560	13.8
142.07941	9.9
145.10167	15.7
147.08055	10.5
147.11742	33.5
149.09659	19.4
157.10168	18.0
175.11296	22.9
193.12271	31.5
211.13316	40.8
267.15964	45.6
275.20071	65.2
285.17026	74.6
293.20990	16.5
298.27484	14.1
349.23743	41.5
367.24680	33.1
435.04477	10.4
541.35156	55.5
559.36469	100.0
577.37152	61.2
578.38190	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	936.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.5
67.05508	54.7
69.03428	3.8
69.04139	3.4
69.04556	5.3
69.07073	13.4
71.05000	3.1
73.02931	1.7
79.05496	39.9
81.03421	81.7
81.07059	57.3
82.03766	1.3
83.04988	4.1
83.08619	19.1
85.02905	7.2
85.06569	3.6
89.83306	1.0
91.03970	5.3
91.05482	33.4
92.05801	1.1
93.07048	42.4
95.04967	28.1
95.08609	37.9
97.02905	6.6
97.06547	4.5
97.10181	9.1
98.23359	2.7
105.07040	25.3
107.04959	7.1
107.08593	25.3
109.06535	3.8
109.10159	16.1
111.04449	1.5
111.08055	7.2
115.05441	2.1
117.07011	7.7
119.08588	19.5
121.06514	3.4
121.10138	22.8
123.04491	2.2
123.08074	3.4
123.11692	6.2
125.09625	5.9
127.03941	1.9
128.06197	1.8
129.07014	9.9
131.08580	18.7
133.06479	3.2
133.10133	14.9
135.08075	2.7
135.11700	13.5
137.09631	2.6
137.13304	1.6
142.07701	2.3
143.08601	2.9
145.04970	3.4
145.10133	12.1
147.08069	4.5
147.11703	14.3
149.09639	6.6
149.13261	7.2
155.08690	1.9
157.10159	10.4
159.11703	7.5
161.13272	6.6
163.06046	4.6
163.11185	2.4
163.14845	3.9
165.12808	3.5
171.11705	3.3
173.13254	5.5
175.11200	6.7
175.14793	1.7
184.07430	1.9
185.13287	2.3
187.14809	3.0
189.11172	3.3
189.12733	1.2
189.25293	1.1
193.12254	21.5
201.16383	1.8
211.13225	1.2
227.12804	10.1
235.13315	2.6
243.21146	4.0
247.16956	1.4
249.14876	2.2
259.13281	1.6
261.22159	17.1
262.22571	2.2
265.14438	1.6
267.15909	100.0
268.16223	5.0
279.23111	1.3
285.22290	1.5
301.14331	2.9
301.25345	5.1
309.17084	5.6
311.24045	1.4
317.24835	3.2
320.49249	1.2
329.21054	1.3
333.24146	1.3
335.25806	82.0
336.26199	3.1
403.24945	1.0
417.26334	1.3
421.25870	2.6
435.27374	3.6
435.32687	5.6
453.33551	8.6
471.35074	5.3
501.35696	1.6
509.36584	2.1
527.37329	66.7
528.37952	6.3
545.38379	56.9
546.38647	5.3
559.40082	2.2
569.38617	7.3
577.40332	1.4
611.39136	1.3
635.38800	2.0
653.40558	2.5
671.41156	2.5
937.57611	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	936.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	4.2
67.05507	65.5
69.03430	3.8
69.07077	15.5
71.04970	2.6
71.08624	1.2
73.02915	2.3
77.03889	1.6
79.05495	50.1
81.03420	82.9
81.07058	64.7
82.03732	1.8
83.04976	5.7
83.08626	20.7
83.68335	1.3
85.02901	7.7
85.06519	1.9
91.03952	4.3
91.05484	40.7
93.07045	50.1
93.07635	2.5
95.04971	28.2
95.08609	46.6
96.08939	1.3
97.02897	6.3
97.06544	3.8
97.10163	8.7
98.22585	2.3
105.04508	2.5
105.07037	26.5
107.04946	7.2
107.08597	27.9
108.08892	1.4
109.06512	5.6
109.10152	21.0
111.04448	2.1
111.08097	7.8
115.05482	2.0
117.07049	10.0
119.08580	29.4
119.09445	1.6
121.06533	5.8
121.10148	22.0
123.04424	2.1
123.08065	4.8
123.11723	7.5
125.09666	5.9
127.03951	2.0
129.07005	10.6
131.08566	20.9
133.06517	3.5
133.10135	15.3
135.08031	1.9
135.11702	12.7
137.09598	3.3
137.13228	3.4
142.07793	3.4
143.08572	3.2
143.10693	1.1
145.04932	2.7
145.10143	13.3
147.04454	1.8
147.08044	3.9
147.11668	14.0
149.09659	5.7
149.13287	9.3
151.11166	1.7
157.10110	8.2
159.11702	8.1
161.13286	6.4
163.06056	3.9
163.11179	3.6
163.14841	3.5
165.12834	2.0
171.11655	2.7
173.11786	1.1
173.13278	5.4
175.11192	8.6
175.14882	3.3
183.11713	2.0
185.13226	2.2
187.14839	3.3
189.11246	3.5
193.12248	19.1
194.12546	1.4
199.03261	1.3
201.16306	1.3
211.13205	2.0
227.12737	7.2
235.13312	3.3
243.21085	7.5
248.94624	1.4
249.14949	2.5
259.13324	2.8
261.22134	23.3
261.24731	2.0
262.22412	1.5
267.15921	93.0
268.16296	5.9
273.14920	1.7
279.23279	2.1
285.21927	2.1
287.19833	1.2
299.23541	1.6
301.14420	2.3
301.25101	6.9
309.16873	6.0
317.24625	3.3
335.25827	100.0
336.26123	7.4
343.22473	1.3
421.25928	2.4
435.27148	2.4
435.32474	5.6
453.33621	7.8
465.77432	1.4
471.34573	5.1
527.37372	67.6
528.37646	9.8
545.38342	58.8
546.38855	5.8
569.38281	10.4
570.38385	1.4
587.39514	1.4
593.37854	1.6
611.39203	2.7
623.39532	1.4
635.38879	3.6
635.70007	1.3
653.39337	3.6
671.41272	2.5
928.80701	1.3
937.42114	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	937.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	5.5
68.05836	0.5
69.03431	3.0
69.07069	2.2
71.01392	0.5
71.04993	0.8
71.09750	0.3
73.02917	3.0
79.05499	6.4
79.05920	0.6
81.03433	2.6
81.07062	7.5
82.07427	0.6
83.04993	0.8
83.08633	1.2
85.02909	4.8
85.03379	0.5
85.06577	0.5
91.03957	2.6
91.05480	4.6
93.07043	5.3
93.07614	0.3
94.07420	0.6
95.04987	1.5
95.08611	3.2
97.02895	5.1
97.06560	1.2
97.10193	0.7
99.04486	0.6
101.02425	1.4
105.07032	3.7
106.08934	0.4
107.04984	1.1
107.08595	2.7
109.02922	0.6
109.06548	0.9
109.07676	0.8
109.10196	1.6
111.08141	0.7
117.07063	1.1
119.08549	1.8
119.64635	0.3
121.06503	0.4
121.10180	1.1
123.11758	0.6
125.09636	0.6
127.03959	1.2
129.07050	1.0
131.08632	1.1
133.10179	1.5
135.11726	1.1
137.09651	0.4
143.08655	0.6
145.05038	0.5
145.10156	0.8
146.10631	0.4
147.11685	2.2
149.09653	0.7
149.13297	0.9
159.11758	0.7
161.13324	0.5
163.11163	0.4
165.12906	0.4
171.11781	0.6
177.12834	0.4
185.04335	0.6
195.13837	0.7
201.03758	0.4
216.46431	0.3
243.08423	2.6
247.13097	0.6
267.15994	0.5
269.17694	1.4
270.17880	0.7
275.20279	1.0
276.20261	0.3
281.17435	0.4
291.19565	0.4
292.20007	0.6
301.08899	0.5
303.15701	0.4
333.20303	1.8
346.26126	0.4
347.09503	2.0
349.23999	1.0
350.24200	0.4
363.09155	1.1
365.10828	1.0
365.23553	0.5
405.13623	5.7
405.17978	0.5
423.19672	0.5
423.27612	0.8
425.21649	0.4
453.21005	0.4
465.20969	5.5
543.37006	0.8
544.37299	0.8
551.28314	3.6
575.11981	0.4
585.26007	0.4
627.26184	7.0
628.26715	0.7
643.26642	0.7
713.33539	3.5
775.42407	1.1
809.39160	0.6
937.47577	100.0
938.47772	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	937.5856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	2.4
69.03437	3.3
71.08661	0.9
71.85174	0.6
73.02917	4.0
79.05514	0.8
81.03434	1.3
81.07079	2.2
85.02914	6.1
91.03963	3.5
93.07070	1.5
95.08641	2.3
97.02915	5.6
99.04488	0.9
101.02406	1.6
107.08649	0.9
109.02926	1.0
109.10178	1.2
127.03963	1.3
185.04265	0.9
229.52913	0.8
243.08507	2.3
347.09702	2.2
365.10818	1.1
405.13785	4.9
497.30832	3.0
519.29382	5.1
578.40509	0.7
628.74316	0.6
657.96234	0.6
659.36420	3.1
681.34296	6.0
775.53729	1.2
937.58575	100.0
938.58954	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	938.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	2.0
67.05510	47.7
69.03436	4.3
69.07072	18.1
71.04995	4.9
73.02933	2.4
79.05496	28.4
81.03425	68.6
81.03889	2.5
81.07063	51.8
82.07384	2.1
83.04985	7.0
83.08617	24.4
85.02898	7.5
85.06524	2.4
91.03969	4.0
91.05486	29.8
93.07041	23.8
95.04977	25.8
95.08604	40.2
97.02904	5.2
97.06570	3.9
97.10155	7.7
98.23444	5.2
105.07030	22.2
107.04968	6.4
107.08588	14.6
109.06547	4.4
109.10159	18.0
111.04461	2.4
111.08089	8.3
115.05453	2.1
117.07043	3.2
119.08596	21.2
121.06524	4.5
121.10155	12.0
123.08088	2.6
123.11701	9.1
125.09647	4.6
127.03973	2.8
129.06993	9.9
131.08568	8.5
133.06575	2.6
133.10130	6.9
135.11688	5.2
137.09592	2.8
137.13290	2.8
145.10155	2.8
147.08022	5.8
147.11687	8.2
149.09602	4.0
149.13231	4.4
153.01857	7.2
157.10120	9.0
161.13254	3.1
163.06035	2.4
163.11211	2.6
163.14778	2.8
165.12714	2.3
175.11182	5.5
181.12433	2.9
185.13327	2.6
189.11285	2.3
189.16495	2.4
193.12257	20.9
235.13338	4.4
263.23740	5.1
267.15909	100.0
268.16199	4.7
273.18463	2.6
277.03589	2.6
303.01401	3.4
303.26706	3.7
309.16998	5.1
337.27371	83.3
337.31445	4.5
338.27850	5.0
349.23700	2.3
379.91769	2.0
399.48404	2.6
421.25803	3.2
437.34509	2.7
455.35361	8.3
473.36111	4.9
529.38892	94.9
530.39020	8.9
532.84717	2.2
547.39905	67.6
548.40906	2.7
561.41528	3.0
571.39825	6.4
938.58179	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	939.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.2
69.03425	0.4
69.31330	0.8
79.01855	9.3
79.05485	0.2
81.03423	2.3
84.10985	0.1
87.00834	0.2
89.03889	0.1
91.05503	0.6
95.04937	0.1
97.02895	3.2
98.23315	0.3
99.04445	0.2
103.05463	0.7
107.01324	2.2
109.02873	2.9
111.04508	0.2
113.23248	0.1
116.15587	0.1
119.04993	0.2
123.00810	0.5
125.02341	4.2
127.03918	7.3
128.04222	0.1
129.03372	0.2
131.04929	1.1
143.03395	9.3
144.03799	0.2
144.95323	0.1
145.02869	0.3
147.04385	0.9
153.01831	100.0
153.02911	7.4
154.02159	2.0
154.03285	0.2
157.02850	0.9
159.04407	1.1
163.03902	0.5
171.02895	2.9
171.04329	0.2
173.02339	0.6
175.03928	1.7
177.01950	0.1
177.05461	0.6
185.02350	1.2
187.03903	3.4
189.05487	0.4
191.03368	0.6
197.00798	0.4
199.04033	0.1
201.01837	1.6
203.03407	2.8
205.04947	1.7
207.02864	0.3
213.01839	2.5
215.03386	2.5
216.04060	0.2
217.01411	0.3
217.04959	0.2
219.02933	0.6
229.01320	1.9
230.01923	0.1
231.02881	13.3
232.03386	0.4
233.04437	1.7
241.01297	2.3
247.02380	2.1
256.98099	0.2
257.00821	4.5
259.02383	18.9
260.02768	0.8
261.03912	2.0
275.01843	5.3
276.02652	0.6
277.03427	45.8
278.03766	1.7
279.04980	3.0
285.00296	3.6
286.00949	0.2
287.02011	0.3
289.03329	0.3
297.06036	0.3
303.01343	45.7
304.01657	1.9
315.01392	0.2
321.02527	0.6
328.99280	0.4
331.00809	0.6
336.34192	0.1
339.04877	0.3
355.04437	0.4
365.02756	0.1
367.04340	0.7
385.05679	0.2
393.02234	0.2
399.03534	0.2
411.03409	0.5
429.04419	1.2
449.07251	0.9
527.82898	0.2
724.04889	0.2
939.10272	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	941.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.6
69.03428	4.1
69.07076	1.4
71.01369	0.5
71.05006	0.8
73.02919	3.2
79.05486	3.2
81.03407	3.2
81.07060	6.0
83.04981	0.8
83.08623	1.0
85.02901	6.8
86.06061	3.2
87.04478	0.8
87.05800	0.4
88.43941	0.4
91.03965	2.8
91.05486	3.0
93.07038	2.2
95.04979	1.4
95.08601	2.1
97.02898	5.5
97.06541	0.8
98.22648	0.9
99.04452	0.8
101.02409	1.9
105.07033	2.0
107.04979	0.7
107.08642	1.7
109.02893	0.5
109.06526	1.1
109.10180	0.5
110.73235	0.4
111.08089	0.5
115.03926	0.5
117.07056	0.7
119.08604	1.7
121.06541	0.6
121.10151	0.8
123.08065	0.6
123.11727	0.5
126.81486	0.3
127.03915	1.5
127.14048	0.3
129.07025	0.6
130.46970	0.3
131.08627	1.1
132.66772	0.3
133.10129	0.7
135.11719	0.4
138.71375	0.3
145.10165	0.8
145.43689	0.3
147.11748	1.4
149.09633	0.5
149.13243	0.5
153.01830	0.5
157.10167	0.8
159.11821	0.4
163.11165	0.4
169.10204	0.4
171.11659	0.3
175.11238	0.6
185.04260	1.1
193.12317	0.8
201.03796	0.6
203.05258	0.7
243.08351	2.8
251.12637	1.0
269.12311	0.5
275.20099	0.7
307.15158	0.3
307.99631	0.4
333.20355	1.3
347.09546	2.7
361.01895	0.4
363.09055	0.9
365.10638	1.0
389.22861	0.8
405.13641	6.2
423.19818	0.6
453.21423	0.8
469.20480	5.0
481.20352	0.5
528.55316	0.5
551.28198	5.8
552.28693	0.5
585.25684	0.6
607.20947	0.4
615.26178	0.6
631.25653	3.9
643.25909	0.5
692.10785	0.4
703.27582	0.6
713.33698	5.2
714.33655	0.5
778.51129	1.0
779.39941	0.9
779.52960	1.8
914.35498	0.4
941.47003	100.0
942.47284	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	941.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.1
69.03432	3.1
69.07082	1.2
71.01366	0.5
73.02924	2.9
76.18513	0.4
79.05510	2.4
81.03437	3.5
81.07060	4.1
82.29715	0.3
83.04987	0.8
83.08628	0.8
85.02911	5.5
86.06083	0.9
87.04493	0.9
89.14895	0.4
91.03975	2.9
91.05486	2.7
93.07059	2.0
95.04989	1.3
95.08646	0.8
97.02895	4.7
97.06558	0.6
99.04451	0.5
101.02412	1.4
103.03900	0.4
103.09326	0.4
104.07121	0.5
105.07023	2.4
107.05022	0.6
107.08601	0.9
109.02931	1.1
109.06540	0.8
109.10180	0.6
111.08148	0.5
113.51169	0.3
119.08626	1.4
121.10159	0.6
123.08047	0.3
123.11773	0.5
127.03958	1.6
131.08611	0.8
133.10193	1.3
133.58145	0.3
137.09702	0.3
145.10196	0.4
147.11766	1.3
149.09695	0.5
149.13280	0.4
157.10120	0.6
175.11234	0.5
185.04256	0.4
193.12326	0.8
203.05345	0.4
228.94362	0.4
235.47990	0.4
243.08418	2.5
251.12692	0.4
263.08328	0.3
285.17517	0.3
301.09097	0.4
307.15161	0.5
333.20496	1.9
347.09509	2.4
363.09119	0.8
365.10754	1.1
405.08646	0.5
405.13736	5.8
405.18848	0.4
423.19736	0.4
469.20459	7.7
469.26486	0.6
541.22430	0.5
550.48755	0.5
551.28070	3.0
551.34467	0.3
585.25793	0.6
605.23346	0.5
631.25671	7.1
632.26306	0.8
713.33484	2.4
779.40649	0.9
779.52777	0.8
941.47131	100.0
942.47266	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	941.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.9
67.91131	0.3
69.03432	3.5
69.07087	0.5
69.12835	2.2
71.01361	0.5
71.05000	1.0
73.02916	3.6
79.05492	2.5
80.61584	0.3
81.03423	3.5
81.07056	3.0
83.08624	0.3
85.02905	5.8
85.06570	0.3
85.52523	0.2
87.04474	0.4
91.03960	2.6
91.05470	2.3
93.07045	2.3
95.04991	0.8
95.08595	1.5
96.65683	0.3
97.02895	6.0
97.06535	0.4
99.04491	0.9
101.02372	2.2
105.07045	1.2
105.43826	0.3
107.08585	1.8
109.02899	0.8
109.10159	0.5
117.07061	0.3
119.08616	1.3
121.10151	1.8
127.03917	1.5
129.07027	0.5
131.08621	1.1
133.10172	0.6
147.11765	0.9
149.09662	1.3
157.10204	0.7
165.12883	0.4
175.11324	0.5
183.88474	0.3
185.04315	0.8
193.12346	1.0
197.05719	0.3
197.15479	0.3
201.03818	0.3
203.05342	0.7
220.73627	0.3
225.14871	0.8
243.08397	2.4
266.52213	0.3
267.15945	0.5
280.13693	0.3
283.15146	1.9
335.25571	0.3
339.17966	1.1
347.09525	2.1
365.10635	1.1
405.13705	5.9
441.20877	0.3
469.20715	0.4
501.23026	8.2
502.23389	0.4
519.29272	4.6
519.36420	0.3
520.30347	0.4
581.32947	0.3
663.28394	7.5
664.28644	0.5
681.34448	4.4
779.45215	2.1
941.50745	100.0
942.51074	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	941.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99515	0.2
67.05505	2.6
67.65987	0.2
69.03439	3.0
69.07080	0.8
69.55605	1.1
71.01344	0.3
71.04998	0.6
73.02924	3.8
79.05496	2.2
79.05841	0.2
81.03415	2.7
81.07052	2.6
82.58309	0.2
83.08656	0.5
85.02908	5.9
87.04468	0.5
91.03954	3.1
91.05479	1.6
93.07031	2.5
95.05006	0.4
95.08606	2.0
97.02896	5.8
97.06558	0.5
97.34403	0.2
99.04491	0.7
101.02390	1.5
103.03975	0.5
105.07019	1.2
107.08615	1.4
109.02929	0.7
109.10205	0.6
115.03976	0.5
117.07021	0.3
119.08641	0.7
121.10170	0.9
123.11707	0.3
127.03925	1.7
131.08626	1.0
133.10139	0.4
135.11723	0.5
145.05043	0.4
147.11729	0.3
149.09705	0.7
157.09999	0.2
175.11296	0.4
185.04315	0.5
193.12399	0.6
203.05360	0.6
225.15027	0.3
243.08389	1.8
266.28897	0.2
267.16095	0.3
269.89450	0.2
283.15186	2.7
335.25812	0.5
339.17914	0.3
347.09586	1.6
363.09003	0.2
365.10703	0.9
405.13669	6.1
405.18890	0.3
406.14331	0.3
469.21027	0.3
501.23026	3.8
519.29272	5.5
519.36450	0.4
520.29919	0.3
531.18506	0.3
663.28271	3.1
664.28674	0.3
681.34583	7.7
682.34717	0.9
779.45929	1.5
941.50751	100.0
942.51031	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	1.3
67.05523	0.3
71.04980	0.3
78.04729	0.4
79.05492	0.3
81.03416	2.0
85.02944	0.2
89.03915	4.7
91.05487	3.1
93.07069	0.3
95.04964	0.4
99.04465	1.0
103.05482	0.8
106.04192	0.3
107.04939	0.4
109.02136	0.3
109.02876	5.0
115.05430	0.3
117.03378	15.4
117.07001	0.3
118.03683	0.3
119.04944	6.5
121.06511	2.5
123.04454	0.2
127.03917	5.1
130.11063	0.2
131.04871	0.4
133.02861	0.6
134.03622	0.7
135.04442	1.3
136.04768	0.2
137.05969	0.6
145.02847	47.2
146.03143	1.3
147.04408	32.7
148.04732	1.6
149.05989	5.3
151.03938	0.4
151.07515	0.4
163.03886	0.3
165.05486	0.3
167.07021	2.5
169.05005	0.5
173.05966	0.8
177.05467	100.0
178.05809	3.0
181.04947	3.0
181.06461	0.3
186.05547	1.2
191.07053	0.6
195.06493	0.3
201.05403	1.5
203.07130	0.3
205.08632	0.3
229.08540	0.6
233.08076	0.3
235.09688	0.2
243.06374	0.3
255.06555	0.3
257.08139	0.4
273.07559	4.6
285.07541	1.1
297.11099	0.3
303.08618	18.5
304.08823	0.9
308.06879	0.3
323.09106	0.3
325.10428	0.5
345.09506	0.4
351.08542	0.4
385.12903	1.5
387.14185	0.3
417.15173	0.7
423.12817	0.6
460.16541	0.3
485.14438	8.4
486.14584	0.5
488.17081	1.8
613.22498	0.3
746.28101	2.7
761.74603	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	942.542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37107	1.5
65.73086	1.5
66.06725	1.6
67.05505	48.7
69.03423	3.6
69.07072	23.1
71.04996	7.7
71.08624	1.8
71.20571	1.5
77.03933	2.1
79.05495	50.2
81.03422	5.5
81.07059	93.6
83.04988	9.6
83.08624	32.5
84.50258	1.7
85.02917	3.2
85.06554	3.1
91.05480	43.1
91.06020	3.5
93.07043	39.2
95.04967	19.2
95.08610	34.1
97.06531	9.4
97.10152	4.4
99.08104	3.2
103.05418	2.4
104.69012	1.9
105.07030	44.4
106.07371	2.0
107.04956	21.8
107.08592	29.5
109.06519	22.6
109.10163	11.2
111.08103	7.5
117.07038	13.4
119.08591	38.9
119.89494	1.8
121.06538	9.9
121.10154	21.8
122.43580	2.0
123.08080	7.0
123.11691	4.8
123.20268	1.8
125.09659	3.5
129.05557	2.4
129.07016	6.0
131.08583	21.6
131.26923	1.9
133.06514	3.2
133.10123	25.0
135.08064	5.7
135.11667	9.7
137.09584	4.8
139.11154	1.8
142.30688	2.0
143.08572	2.6
145.10129	23.1
147.08086	2.1
147.11691	21.3
149.09616	24.3
149.13284	8.5
151.11235	6.7
155.08540	3.0
157.10150	4.2
159.11710	10.5
161.13312	3.8
163.11180	22.1
165.12720	9.3
169.10138	4.6
171.11754	4.0
173.13287	7.9
175.11212	5.3
177.12862	4.6
183.11803	2.9
184.35832	1.8
187.14841	3.1
197.13350	4.3
199.14882	2.2
202.87634	1.7
213.16354	2.6
215.14554	2.3
229.19525	2.7
239.17967	6.5
247.20641	5.6
257.19003	11.8
275.20062	100.0
276.20432	3.9
293.21234	13.0
349.23746	87.1
350.24164	5.8
367.24835	30.1
381.26321	11.4
404.36389	2.0
439.23340	12.5
453.25009	11.7
547.39331	2.4
549.38702	2.1
565.40680	2.1
623.43085	44.0
641.44116	38.6
642.44324	2.6
659.44794	5.2
713.42041	7.0
727.43463	5.5
745.45380	17.9
746.44830	3.3
784.81293	2.0
825.82208	2.0
942.53748	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	943.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18961	0.5
67.05504	3.5
69.03428	2.9
69.07065	1.2
71.01366	0.7
71.05008	1.6
73.02924	2.5
75.95600	0.4
78.80513	0.4
79.05500	2.5
81.03432	3.4
81.07050	3.1
83.04967	0.5
83.08643	1.1
85.02915	6.0
91.03967	3.1
91.05519	2.1
93.07077	2.3
95.05000	1.1
95.08599	2.6
97.02894	4.8
97.06593	0.6
99.04494	0.6
101.02413	1.9
103.03933	0.6
105.07040	1.1
107.08643	1.5
109.02920	0.6
109.10208	1.7
111.04343	0.4
113.06029	1.1
119.08607	0.8
121.10187	1.7
125.09653	0.5
127.03940	1.8
129.07083	0.4
141.57654	0.5
147.11667	0.8
149.09637	1.1
157.10205	0.7
175.11314	0.6
193.12439	0.8
203.05391	0.8
204.76901	0.5
229.14557	0.8
243.08479	2.8
283.15384	1.9
291.70499	0.5
339.17889	0.6
339.29361	0.9
340.29239	1.1
341.18091	0.5
347.09708	1.8
365.10760	1.4
405.13702	5.6
492.08221	0.5
501.23019	7.6
501.29514	0.5
521.31024	4.0
663.28412	7.3
664.28253	0.6
683.36328	4.7
684.36230	0.7
781.46906	1.7
943.52405	100.0
944.52478	11.4
968.11383	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	944.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	0.1
69.45285	0.6
81.03434	0.7
85.28958	0.1
89.03876	0.1
91.05483	9.5
92.05822	0.1
101.10587	0.1
105.07028	0.1
109.02871	1.6
119.04946	22.2
120.05249	0.6
121.06511	0.3
123.04449	0.1
127.03941	0.4
133.02864	0.2
137.06007	0.2
145.02855	0.2
147.04411	100.0
148.04741	3.1
151.04042	0.2
151.07526	0.1
164.07074	0.1
165.05518	0.4
167.07057	0.6
173.06064	0.1
179.03391	0.5
181.04973	0.3
191.06976	0.2
207.06378	0.1
212.92952	0.1
229.08574	0.9
255.06389	0.1
273.07596	1.4
276.63431	0.1
291.08566	0.3
309.09726	0.2
331.55521	0.1
419.11267	1.3
455.13226	0.1
565.20172	0.4
601.16840	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	944.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	45.5
69.03418	4.9
69.04344	9.1
69.07069	18.7
71.05003	5.2
71.08685	1.0
73.02902	2.1
79.05494	49.9
81.03421	11.8
81.07059	100.0
82.07400	2.2
83.04979	11.2
83.08627	16.3
85.02905	4.0
85.06544	3.9
91.05482	40.1
92.05790	1.2
93.07050	35.6
95.04977	18.7
95.08055	1.8
95.08612	24.5
97.02892	1.8
97.06536	9.1
97.10168	14.4
99.04453	1.4
99.08096	2.6
105.04531	1.3
105.07030	40.2
106.07373	1.6
107.04959	15.8
107.08596	25.0
109.06515	16.9
109.10157	13.4
111.04429	9.3
111.08098	6.9
113.05989	1.4
115.05462	2.1
117.07010	15.1
119.05011	1.2
119.08586	35.8
121.06531	9.3
121.10149	19.4
123.08080	16.9
123.11674	6.3
125.05973	1.9
125.09624	14.3
129.05489	4.3
129.06981	7.8
131.08563	18.5
133.06502	3.4
133.10118	14.3
135.08051	7.9
135.11687	10.1
137.09608	5.6
139.11156	1.8
143.08545	4.9
145.06406	2.0
145.10124	17.5
147.08054	8.9
147.11690	27.9
149.09576	8.8
149.13269	3.8
151.07579	1.2
151.11140	2.3
153.09120	2.2
153.12755	3.4
155.08614	3.8
157.10104	6.9
159.08069	2.7
159.11690	8.4
161.09607	8.8
161.13237	3.1
163.11205	15.3
165.09109	1.8
165.12756	7.2
168.23064	1.1
169.10109	1.8
171.10298	1.4
171.11702	3.0
173.09624	4.2
173.13266	2.2
175.11186	5.0
177.12709	3.5
181.12239	3.9
185.13333	1.8
187.11195	1.5
189.11234	14.2
189.12753	2.0
191.10631	4.0
193.12267	3.6
194.05054	1.1
195.11703	1.6
199.14839	1.3
218.19930	1.1
223.13286	4.2
227.12793	18.6
227.17867	1.2
237.16475	1.3
245.18977	2.3
247.20634	2.1
249.14893	2.3
255.17645	2.6
257.18887	3.1
263.20084	2.0
267.15979	2.4
273.18497	27.0
275.20081	34.7
276.20392	1.6
283.15424	4.3
291.19540	53.4
292.19894	2.7
293.21014	6.9
297.16992	1.4
309.20593	8.5
347.22125	14.9
348.99277	1.2
349.23663	7.3
365.18823	2.3
365.23251	43.8
366.23590	2.3
367.24826	14.0
383.24252	18.5
439.23254	37.6
440.23178	3.1
621.41327	3.1
639.42346	5.8
657.44012	7.6
675.44226	3.9
711.40363	2.7
729.42200	20.3
730.42365	1.9
747.43243	13.1
748.43488	1.5
749.20807	1.4
767.63391	1.2
944.46967	6.1
945.47174	1.4
970.96954	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	945.539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.7
69.03423	2.2
69.07077	0.7
73.00646	0.4
73.02932	1.9
79.05512	1.2
81.03428	2.9
81.07067	2.0
83.08640	1.4
85.02906	4.4
87.02591	0.5
91.03970	2.1
91.05498	1.3
93.07047	0.7
95.04977	0.6
95.08646	1.2
97.02888	4.5
97.06583	0.7
97.10207	0.6
99.00936	0.5
99.04481	0.8
101.02425	1.3
107.08614	0.8
109.10163	0.7
121.10187	1.1
127.03952	1.2
129.07076	0.5
133.10173	0.8
140.11342	0.5
147.11720	0.6
149.09654	0.5
175.11357	0.5
184.89618	0.4
185.04338	0.7
193.12312	0.6
203.05148	0.4
243.08562	1.4
267.16068	0.5
283.15344	1.8
347.09641	1.6
365.10532	0.9
405.13678	4.5
501.23035	7.4
523.32709	3.5
663.28589	7.0
664.28790	0.6
685.37592	4.0
783.48969	1.7
887.49323	0.8
887.65967	0.6
945.53894	100.0
946.53998	13.9
949.09552	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	945.539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.8
68.02163	0.8
69.03437	3.1
69.07076	1.4
69.49579	5.0
73.02928	1.9
79.05499	1.2
79.37949	0.7
81.03423	1.9
81.07068	2.2
85.02912	4.8
91.03976	2.4
91.05530	1.6
93.07077	1.7
95.08631	2.2
97.02876	4.7
98.22678	1.3
101.02394	1.6
109.10222	0.9
121.10169	1.3
123.69971	0.8
123.88065	0.8
127.03908	1.0
233.97157	0.9
243.08522	2.3
283.15454	1.9
285.68100	0.8
311.82712	0.9
339.29401	1.0
347.09637	2.7
365.10675	1.1
405.13699	4.7
501.23065	5.0
523.32458	3.8
524.32941	1.2
556.61121	1.0
663.28473	5.3
685.37921	5.3
783.48419	1.4
901.32672	0.9
945.53876	100.0
946.54193	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	947.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07461	0.8
81.03445	0.7
89.03943	1.3
91.05492	1.1
109.02888	0.7
117.03419	2.6
119.04980	1.0
127.03940	0.8
134.73570	0.7
135.04443	0.7
145.02859	7.3
145.90347	0.5
147.04401	3.8
149.06052	1.2
153.96944	0.5
177.05479	6.9
199.03798	0.8
234.24515	0.6
313.06781	8.1
313.09869	0.6
343.08020	1.1
349.08963	0.8
403.10031	1.1
404.30487	0.7
445.11029	0.7
463.12015	2.7
507.12537	6.6
508.13788	0.6
525.13672	3.4
549.14124	0.7
567.15027	1.8
687.31268	0.6
887.23431	1.1
947.25769	100.0
948.25909	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	32.5
69.03416	3.8
69.07067	11.7
70.31831	1.6
70.32167	0.9
71.05000	8.0
73.02912	1.3
77.03912	0.9
79.05494	38.2
81.03419	48.0
81.07057	66.1
82.03745	1.3
82.07388	1.3
83.04986	11.6
83.08623	19.0
85.02905	13.7
85.06573	2.2
91.03960	2.8
91.05483	44.1
91.33706	0.8
93.06472	1.8
93.07041	28.6
95.01338	2.7
95.04967	23.4
95.07984	1.0
95.08599	20.8
95.85500	1.0
97.02901	5.2
97.06523	11.3
97.10172	4.2
99.04488	0.9
99.08091	2.7
103.05454	1.3
105.04510	1.2
105.07031	37.2
106.07339	1.0
107.04953	12.4
107.08591	16.5
109.02860	1.1
109.06523	18.4
109.10143	7.4
111.04456	3.7
111.08076	7.8
113.06012	1.6
115.05416	1.6
117.07018	10.2
119.08576	25.4
120.08983	0.9
121.06512	6.4
121.10161	12.0
123.04410	2.0
123.08044	4.6
123.11703	2.5
125.09612	2.4
127.03908	1.1
129.07005	9.3
131.08563	19.2
133.06497	3.0
133.10129	20.9
135.08046	2.8
135.11694	4.4
137.09637	3.6
139.07513	0.9
139.11182	1.1
141.06956	1.2
142.07790	2.6
143.08546	2.4
145.04846	1.0
145.10130	10.3
147.08054	3.3
147.11679	16.0
149.09612	9.0
149.13240	3.6
151.11186	2.9
155.08536	1.9
157.10133	10.2
159.11699	7.7
161.09653	1.5
161.13272	3.1
163.11134	6.4
163.12276	0.7
165.12791	5.0
171.11703	2.3
173.13246	4.0
175.11186	9.7
177.12766	1.8
179.14349	2.9
183.11636	1.4
187.11136	1.5
187.14857	1.3
193.12253	19.5
194.12599	1.0
199.14896	0.9
203.14099	1.0
205.12289	1.6
211.13295	22.9
211.15196	1.8
215.18051	0.9
229.19566	2.3
239.18015	2.1
247.20567	2.7
257.19012	3.9
267.15909	49.2
268.16150	2.5
275.20068	43.8
276.20364	2.4
278.52573	1.0
285.16959	37.4
286.17316	1.0
288.72845	0.9
293.21109	1.7
307.22684	2.8
349.23730	26.2
350.24008	2.2
381.26373	11.5
382.26538	1.4
449.30786	1.0
519.09436	1.0
541.35248	100.0
542.35541	10.4
559.27692	1.9
559.36279	33.5
560.36475	3.0
573.37976	4.3
577.37512	4.7
578.37164	1.1
583.36359	2.0
591.38953	30.5
592.38812	2.5
711.76379	1.1
950.54718	1.1
951.43628	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	950.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	17.6
68.67530	0.8
69.03437	1.5
69.07076	11.7
71.04990	2.2
73.02930	0.9
76.10248	1.0
79.05499	20.5
80.05848	0.8
81.03423	28.4
81.07061	31.9
82.07397	1.5
83.04975	4.2
83.08619	8.3
85.02921	2.4
85.06548	1.6
91.05491	24.7
93.07056	14.0
94.07275	0.9
95.01345	3.7
95.04978	13.9
95.08601	10.9
95.48730	0.9
97.02901	2.9
97.06554	8.6
97.10172	2.7
98.23437	1.8
99.08092	2.2
105.07037	28.8
106.07397	1.2
107.04950	7.6
107.08585	7.4
109.06526	9.6
109.10181	4.2
111.08094	3.0
115.05395	1.3
117.07035	5.2
119.08588	17.6
119.09441	1.5
121.06483	4.5
121.10145	6.6
123.04456	1.2
123.08086	3.1
123.11658	0.9
125.09685	1.1
129.07004	5.1
131.08582	11.8
133.06512	2.0
133.10147	18.2
135.08047	2.5
135.11703	3.0
137.09627	2.4
142.07771	1.4
143.08600	1.2
145.10170	5.9
147.08060	1.4
147.11710	10.5
149.08586	1.4
149.09579	6.2
149.13271	2.7
151.11174	1.2
155.08609	1.0
157.10164	5.8
159.11678	4.4
161.13254	2.2
163.11205	3.8
165.12744	1.9
169.10173	1.3
173.13237	1.1
175.11191	3.7
177.12744	2.0
179.14345	4.1
183.11787	0.9
184.07428	1.6
185.17520	0.9
187.11209	1.2
193.12242	6.3
197.13226	1.3
201.07103	0.9
205.12250	1.0
211.13274	1.7
219.17424	2.2
243.31958	1.0
247.20605	2.0
247.54807	0.9
257.19070	2.0
267.15912	32.7
268.16254	1.1
275.20090	29.3
285.16998	2.2
291.19507	0.9
293.21057	2.0
293.99655	1.1
301.14459	1.1
310.45978	1.0
349.23764	20.3
350.24286	1.7
359.04202	0.9
381.26215	1.0
447.27307	1.3
541.35254	100.0
542.35516	11.4
559.36322	5.4
573.38043	2.0
583.35974	3.5
591.38702	2.2
861.49286	1.3
878.48749	1.7
938.06665	1.2
951.45392	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	951.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95258	0.8
75.24793	0.5
78.82893	0.6
84.04499	0.7
84.96016	2.3
85.58961	0.5
98.22538	1.1
98.97581	31.4
103.05455	0.9
110.97562	13.4
111.26650	0.6
112.99129	25.1
116.98627	16.3
120.08111	14.0
121.08467	0.8
124.03967	0.8
124.99114	4.8
127.00687	0.8
128.98615	17.8
131.00174	39.9
134.99664	5.5
140.98589	1.3
143.00168	20.8
144.00470	0.9
144.98071	0.7
145.01765	1.8
146.99658	12.0
149.01224	25.6
153.01833	2.0
157.01810	0.6
158.99638	6.6
159.42355	0.6
160.94455	0.7
161.01222	18.0
162.99135	0.8
163.02753	1.0
165.00713	1.6
166.08655	5.0
167.00134	0.8
167.02306	2.5
169.01714	3.4
170.99654	6.5
173.01234	13.5
177.00714	5.6
179.02242	2.4
182.99689	1.1
185.01221	45.1
186.01564	0.9
187.02753	10.0
189.00702	11.8
191.02257	14.3
201.00719	2.5
203.02277	81.6
204.02646	1.5
205.03856	4.6
207.01788	0.7
209.01140	1.4
219.01608	0.8
221.03336	21.6
226.03827	2.0
227.02280	8.6
233.03259	0.7
241.03799	1.4
245.03329	38.3
246.03664	1.8
255.05098	0.7
259.02405	1.1
263.04416	21.3
277.03488	2.3
277.93121	0.6
281.05530	1.7
305.05435	100.0
306.05685	3.8
323.06491	25.1
324.06931	1.1
346.08008	2.1
365.07568	51.2
366.07767	1.7
375.09616	11.2
425.09698	26.9
426.09811	1.7
429.69531	0.7
463.98709	0.7
495.13904	49.0
496.14124	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	952.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69386	1.1
67.05510	54.9
69.03440	8.8
69.06728	2.0
69.07073	23.8
70.30115	1.0
71.05006	6.3
73.02901	2.6
77.03876	1.2
79.05499	65.6
80.05814	2.7
81.03423	72.8
81.07060	100.0
82.07395	3.8
83.04987	25.5
83.08626	37.0
85.02908	32.0
85.06535	4.9
91.03947	3.9
91.05485	58.4
92.05817	2.3
92.34012	1.1
93.07048	46.7
95.04360	2.1
95.04976	43.2
95.08612	26.0
97.02892	6.3
97.06529	12.3
97.10172	32.1
98.23364	2.4
99.04444	3.1
99.08080	3.4
103.05530	1.6
105.04530	2.3
105.07039	47.7
106.07345	1.4
107.04967	19.3
107.08599	31.0
109.06513	16.5
109.10159	13.8
111.04443	19.4
111.08079	18.8
113.06001	3.8
115.05441	3.6
117.07033	14.1
119.04964	1.4
119.08579	41.6
120.08911	1.5
121.06509	12.9
121.10147	21.9
123.04388	2.3
123.08080	28.3
123.11697	2.5
125.05970	1.8
125.09636	23.2
127.03902	3.0
128.06230	3.3
129.07011	20.9
130.07806	1.7
131.04895	1.3
131.08571	28.2
133.06528	7.2
133.10136	24.2
135.08058	10.1
135.11700	9.0
136.06181	2.6
137.09641	8.8
139.11215	2.5
141.07021	1.6
142.07785	5.0
143.08565	7.7
143.10757	2.0
144.09000	1.2
145.05014	1.6
145.06468	3.1
145.10126	20.1
147.08054	14.5
147.10596	2.2
147.11693	22.7
148.43123	1.1
149.09619	14.8
149.13187	2.1
151.11188	1.7
153.09113	5.2
153.12740	6.3
155.08578	2.7
157.10143	21.0
159.08043	3.5
159.11711	7.0
161.09662	8.8
161.13234	1.6
163.07588	1.7
163.11189	23.8
164.11496	1.4
165.09149	6.4
165.12767	4.7
167.08536	1.5
169.10109	2.8
171.11674	5.6
173.09628	4.8
173.11847	1.1
175.11189	21.3
176.11617	1.1
177.12814	2.4
179.10661	1.4
181.10146	1.4
181.12221	7.2
181.36838	1.1
183.11720	1.4
185.09662	1.4
185.13222	3.3
187.11156	1.9
189.11220	19.1
189.12779	1.7
191.10646	6.1
193.12251	47.4
194.12561	1.8
195.11771	1.5
199.11159	2.4
205.12364	2.2
209.11630	2.5
211.13306	62.6
212.13628	2.5
213.12666	1.6
222.70325	1.1
223.13316	7.2
227.12772	29.9
227.17891	2.2
228.13139	1.7
237.16391	2.1
245.19022	4.9
249.14828	3.4
255.17462	5.6
263.20114	2.4
267.15906	33.1
268.16357	2.3
273.18506	48.3
274.18820	5.7
275.20084	1.7
283.15405	7.1
285.16974	80.5
286.17291	4.9
291.19565	91.6
292.19757	5.8
309.20535	12.6
329.21130	1.8
331.22604	1.3
333.20663	1.8
347.22162	14.8
365.23273	49.9
366.23502	3.0
383.24335	18.7
384.24731	1.4
419.24258	1.5
437.25510	2.7
447.28754	4.0
455.26270	4.2
465.29791	4.0
475.26990	1.7
477.28717	2.3
483.30920	4.4
493.27728	4.1
510.28543	1.2
529.35168	1.7
539.33557	8.9
557.34766	52.4
558.35309	5.3
575.35809	73.2
576.36005	12.0
593.36853	43.0
594.37427	6.3
628.36450	1.7
643.34509	2.0
952.46594	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	952.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12833	0.6
67.05505	44.8
69.01595	2.3
69.02017	3.5
69.03426	3.3
69.06728	1.2
69.07069	14.0
69.68358	0.6
71.04992	15.7
73.02914	2.1
73.65928	0.7
79.05489	31.5
80.05851	1.0
81.03420	4.4
81.07055	100.0
82.07394	1.8
83.04977	4.9
83.08617	11.3
85.02905	6.9
85.06551	5.5
91.03958	3.5
91.05481	30.7
93.07043	30.5
95.04975	7.1
95.08603	21.9
97.02890	3.3
97.06531	8.6
97.10165	2.5
98.23333	1.7
99.08082	2.0
103.05527	0.9
105.04511	1.7
105.07032	28.9
106.07363	0.9
107.04967	6.5
107.08591	20.7
107.09296	1.4
109.06518	19.1
109.10157	8.7
111.08080	4.1
115.05443	1.1
117.07013	6.9
119.04965	0.8
119.08576	18.2
121.06503	5.5
121.10147	11.3
123.08092	5.6
123.11706	11.6
125.09646	1.8
126.09100	0.6
127.03918	1.6
129.06993	2.2
131.08562	12.9
133.06508	1.0
133.10129	22.8
135.08072	3.5
135.11702	6.1
137.09634	3.0
137.13174	0.7
139.11211	0.9
143.08569	2.1
145.04927	1.5
145.10123	8.7
147.08031	2.5
147.11678	12.0
149.09586	4.9
149.13251	8.9
151.11180	6.8
155.08560	0.9
157.10132	2.8
159.11684	9.2
161.09692	1.1
161.13271	2.3
163.06044	0.8
163.11177	2.8
163.14851	1.6
165.12770	2.5
169.10118	2.1
171.11705	2.0
173.09673	1.2
173.13254	3.8
175.11189	2.3
177.12779	3.8
183.13910	0.8
185.13261	1.5
187.11427	0.6
187.13309	3.7
187.14818	1.2
191.14418	1.0
193.12283	1.5
195.13817	2.6
197.13287	1.3
201.12802	0.7
213.14775	1.0
219.14001	0.7
225.14847	2.6
229.19518	1.8
239.17856	0.9
241.14401	1.3
243.15913	8.8
247.20616	3.2
257.17459	2.4
267.15900	3.9
269.17474	13.5
275.20074	36.8
276.20383	2.8
293.21112	5.4
301.19998	19.1
319.22873	1.1
349.23691	20.0
350.24045	1.2
356.04434	0.8
357.24994	0.7
367.24771	6.9
375.25287	2.3
437.29437	1.1
445.24411	1.2
451.32272	1.4
493.31506	0.8
499.34213	1.7
515.37103	1.1
517.35254	48.5
518.35626	4.1
525.35577	3.1
531.36877	6.2
535.36462	6.7
543.36780	75.7
544.37036	6.1
549.37805	2.5
561.37860	40.4
562.38702	3.5
575.39417	33.8
576.39459	2.7
593.31567	1.1
593.40454	15.8
594.40594	2.0
719.43518	2.1
737.44666	1.4
952.43207	1.7
953.44421	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	952.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	39.2
68.05850	0.9
69.03506	3.9
69.03970	2.9
69.07072	48.7
71.04996	3.1
76.09652	0.9
79.05498	43.7
80.80932	0.9
81.03428	6.1
81.07062	100.0
82.07406	1.6
83.04988	7.4
83.08623	15.5
85.02911	1.1
85.06561	2.8
91.05483	36.2
93.07050	30.0
93.07632	1.6
94.07356	1.0
95.04975	11.3
95.08613	28.5
97.02888	0.9
97.06540	13.4
97.10176	2.4
99.08112	2.7
105.04551	2.2
105.07038	36.6
106.07382	1.0
107.04960	12.6
107.08601	21.4
109.05782	1.7
109.06522	27.4
109.07251	1.5
109.10168	12.3
111.08071	6.1
115.05433	0.9
117.07041	7.7
119.08581	28.7
121.06502	6.1
121.10143	17.0
123.08076	8.2
123.11713	7.5
125.09656	2.6
126.31269	0.8
128.06297	0.8
129.07018	3.1
131.08568	16.5
133.06505	1.5
133.10138	18.2
134.10500	1.0
135.08031	5.6
135.11699	6.8
137.09604	5.1
139.11156	2.0
141.06990	1.4
143.08621	4.0
145.06535	1.3
145.10135	13.7
147.08104	2.6
147.11691	23.3
149.09605	11.7
149.10677	0.9
149.13257	8.3
151.11200	3.4
155.08557	2.7
157.10132	4.7
159.11723	10.3
161.09651	2.1
161.13284	3.9
163.11186	10.6
163.14841	3.2
164.11533	1.2
165.01517	0.8
165.12762	7.4
169.10159	2.4
171.10181	3.7
171.11758	3.6
173.09563	1.3
173.13277	5.2
175.11237	3.7
175.14902	1.3
177.12749	3.4
179.14320	1.3
183.11705	2.3
185.13193	1.2
187.11246	1.6
187.14812	1.2
189.12833	1.5
191.10712	1.2
191.14340	1.7
193.12320	1.9
195.13858	1.3
197.13173	1.1
201.12756	1.0
205.12242	1.1
207.13817	1.8
215.17900	1.2
219.13835	1.8
229.19534	3.1
239.17992	3.3
247.20587	5.2
249.15027	1.6
257.19009	6.6
267.15869	1.7
269.17444	1.5
275.20078	83.9
276.20459	3.7
291.19583	2.5
293.21097	25.5
349.23730	45.3
350.24014	1.8
367.24802	40.5
368.24924	2.1
389.26691	1.3
445.29315	5.9
463.30542	33.2
464.30829	3.2
543.36755	3.3
567.40094	1.1
614.98499	1.0
623.32605	1.0
623.43066	20.3
624.43341	1.6
641.44128	14.8
642.44611	2.1
659.44849	5.3
737.49951	10.7
738.50269	1.8
755.50879	26.9
756.51135	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	952.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	33.2
69.03435	2.5
69.07076	21.3
70.42979	0.8
70.43322	1.8
71.04993	3.4
79.05499	39.1
79.66260	0.7
80.05841	0.8
81.03413	5.2
81.07063	65.9
82.07380	0.9
83.04990	5.6
83.08144	1.7
83.08626	25.0
84.08979	0.7
85.02913	1.7
85.06551	3.4
86.14837	0.9
91.05489	35.4
92.05831	1.0
93.07049	33.3
95.01343	0.9
95.04972	17.2
95.08611	26.5
97.02888	0.9
97.06541	9.2
97.10171	1.8
99.08086	1.8
103.05444	1.4
105.04539	1.2
105.07037	36.2
107.04961	15.6
107.08603	18.7
109.06525	14.0
109.10163	8.7
111.08085	4.5
115.05502	1.0
117.07024	11.5
119.04809	0.7
119.08582	26.3
120.08900	1.3
121.06530	5.6
121.10147	14.1
123.08076	7.7
123.11711	4.7
125.09640	2.8
125.42617	0.7
128.06268	1.2
129.06996	3.4
130.07777	1.3
131.08574	15.2
133.06522	1.8
133.10138	19.6
135.08070	6.2
135.11711	7.6
137.09601	4.5
139.11183	1.3
141.06978	1.9
143.08606	2.4
144.09422	0.8
145.06480	2.7
145.10126	19.1
147.08066	3.2
147.11694	16.8
149.09631	13.9
149.13246	5.8
151.11183	2.5
153.09042	1.2
155.08569	2.2
157.10121	4.0
159.08018	1.0
159.11713	10.4
161.09613	1.7
161.13266	3.2
163.11200	15.6
163.14870	2.0
165.12781	6.8
167.10609	1.0
169.10135	3.1
171.10405	1.0
171.11639	4.2
173.09680	2.8
173.13232	4.1
175.11267	4.0
175.14857	0.9
177.12747	2.3
179.14348	1.1
183.11748	1.9
185.11812	0.9
185.13318	1.0
187.11232	1.7
187.14815	1.3
189.12769	1.5
193.12213	1.5
197.13268	2.8
199.14934	1.0
201.12717	1.5
201.16367	1.1
205.12199	1.8
207.13846	1.1
215.14262	0.9
215.18015	0.8
223.13203	1.2
227.12833	1.0
229.19446	4.3
239.18034	7.1
247.20593	4.0
257.19016	12.0
267.16019	1.7
275.20087	100.0
276.20459	5.4
291.19583	2.9
293.21097	15.4
331.22714	1.3
335.25598	1.1
349.23749	91.5
350.24048	5.7
367.24820	45.4
368.25281	2.2
445.29425	3.4
459.31033	1.5
463.30548	14.0
464.30649	1.1
477.32147	0.8
513.36053	1.3
531.37537	1.0
549.38995	1.8
559.36603	1.7
567.40436	1.7
571.35846	2.1
611.74487	1.0
623.43054	39.9
624.43079	5.0
641.44086	39.7
641.54889	1.7
642.44373	5.5
659.45520	8.7
737.49170	4.2
755.50793	11.4
756.50446	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	953.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70452	1.7
79.05510	1.1
91.03967	0.7
93.07051	1.0
95.08611	1.0
97.83191	0.8
107.08617	0.9
132.16064	0.7
173.91420	0.7
207.42041	0.7
256.24805	0.8
304.49368	0.8
321.38007	0.9
335.26025	2.2
348.94720	0.8
421.62506	0.9
454.78448	0.9
545.60114	0.9
610.56396	0.9
797.71307	1.1
827.13666	1.0
883.78253	1.1
953.55988	100.0
954.56366	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38702	2.0
69.39112	1.8
71.01936	0.7
73.83018	0.6
77.03946	1.8
80.38013	0.6
81.03404	0.7
86.09649	0.8
89.03905	1.2
91.05476	15.5
93.07047	15.3
95.04971	5.2
103.05469	15.4
105.03408	0.7
105.04523	3.3
107.04959	1.7
109.02865	1.2
109.54944	0.7
115.05477	2.0
117.03378	1.7
117.07024	2.3
118.06538	0.7
119.04930	6.8
120.05717	2.1
121.06513	100.0
122.06846	2.2
123.04404	1.2
125.05882	0.9
133.02853	20.7
135.04413	2.2
136.07571	1.1
137.05984	8.5
141.03284	1.2
145.02815	1.9
145.06499	3.8
146.05969	2.1
147.04439	8.8
149.06013	6.5
150.06729	2.2
151.03935	2.7
151.07562	1.3
164.07088	10.1
165.05592	3.4
165.06958	0.9
167.07048	1.5
173.05919	0.9
177.05499	3.8
178.07739	0.9
179.08565	2.3
181.04991	1.0
185.05809	0.8
189.06970	2.5
191.07019	1.7
191.08525	1.3
192.05652	1.6
197.06064	0.7
201.05368	21.1
202.05882	0.8
205.06444	3.8
206.07233	1.5
207.06413	1.2
207.08089	8.3
211.07539	1.0
217.06511	1.7
218.07332	2.0
219.08073	1.0
220.05231	7.4
221.05943	2.0
221.09779	0.9
222.06784	1.6
224.08359	1.0
225.05505	5.3
233.05949	2.8
233.09621	1.7
234.06735	2.6
235.07539	31.5
236.08008	2.6
237.05450	1.3
237.09114	4.3
245.05916	1.0
246.06764	2.8
247.07579	2.4
248.04660	5.4
249.05391	3.4
249.09062	2.1
250.06354	2.5
251.07047	0.9
252.07791	1.8
256.05939	0.9
260.08347	1.0
261.05276	1.0
261.06604	0.8
261.09134	7.6
262.06357	1.8
263.07037	45.3
264.07657	3.8
265.05078	2.4
265.08603	10.2
266.09003	0.7
267.10281	2.2
269.11713	1.8
271.09726	1.0
272.04584	0.8
275.06909	0.8
276.07816	1.0
277.05328	0.8
277.08603	3.0
278.05743	1.3
278.09198	1.9
279.06586	0.9
280.07303	6.7
280.10419	1.6
281.08173	1.8
282.08832	7.7
283.09540	0.9
287.07092	2.3
289.05188	1.5
289.08661	3.8
290.09128	1.8
291.06564	20.6
291.09952	2.1
292.07077	2.6
293.04752	1.3
293.08084	9.4
293.11304	1.5
295.09558	4.6
296.10297	1.8
297.11148	4.8
299.09207	0.9
304.07220	1.5
306.08820	2.8
307.09683	2.4
308.06757	4.4
312.12439	1.2
313.10468	1.1
315.06549	9.3
316.07053	1.6
319.09509	1.8
321.07626	2.9
321.11234	13.3
322.11661	1.0
323.09155	42.3
324.09528	3.5
325.10730	1.0
332.06738	1.6
347.09152	17.9
348.09229	1.6
349.10736	26.4
350.10947	0.9
351.09424	0.8
353.10480	2.0
364.11697	2.5
379.09711	0.9
388.11823	12.1
389.12088	1.3
392.11316	1.4
439.11868	3.4
460.17548	34.6
461.17783	3.8
463.84982	0.7
471.14389	13.3
472.14880	1.2
484.17538	12.9
484.23929	1.3
485.17389	0.9
486.15262	4.3
487.16199	1.1
488.17181	9.9
489.17627	0.9
497.11884	1.0
512.17151	17.4
513.17267	1.7
538.14899	2.8
608.22858	22.3
609.23047	2.8
634.20679	5.2
636.22266	47.3
637.22638	4.9
652.21240	2.3
662.19568	1.6
675.23523	1.2
722.52344	1.0
771.29358	6.6
772.28723	1.2
789.29974	11.2
799.28241	10.1
817.29492	19.6
818.29565	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	954.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	90.7
69.03434	7.9
69.07078	27.9
70.85448	7.3
71.04979	10.6
79.05497	69.5
81.03420	94.4
81.03864	7.8
81.07062	100.0
83.04992	25.3
83.08624	41.0
84.90678	3.8
85.02913	41.1
89.15736	4.1
91.05479	74.8
93.07048	61.6
95.04969	49.6
95.08603	31.1
97.02890	9.4
97.06532	16.2
97.10178	12.0
105.07030	60.0
107.04968	18.0
107.08610	38.5
109.02824	5.6
109.06533	15.3
109.10162	45.6
111.04488	6.7
111.08078	22.8
117.07018	12.8
119.08585	50.3
121.06553	21.1
121.10146	32.0
123.08036	4.4
123.11707	11.1
125.09610	7.7
126.85838	4.0
127.03875	3.9
129.06998	23.6
131.08574	30.2
133.06508	8.0
133.10120	30.7
135.08034	8.0
135.11720	8.0
137.09593	6.6
143.08521	4.8
145.10133	18.2
147.11719	27.7
149.09631	22.0
149.13255	12.3
153.01810	33.0
157.10164	23.5
159.11670	10.6
163.11160	7.1
165.12788	7.4
173.11765	10.6
173.13228	5.4
175.11183	26.4
177.05423	5.8
179.14296	4.5
193.12256	51.6
195.13699	6.5
211.13281	72.1
227.12813	15.1
229.14371	22.3
257.18860	6.5
267.15945	43.0
269.17490	25.8
275.20020	47.3
277.03516	5.6
279.29434	4.0
285.16989	62.0
286.17163	5.1
323.09332	5.4
349.23776	34.1
367.24707	15.6
421.25659	9.4
439.26959	80.5
461.29245	35.6
471.14346	4.4
479.30087	94.5
480.30347	9.9
518.34821	4.3
541.35321	37.3
542.35883	5.6
559.36328	84.8
577.37311	35.8
578.37140	5.3
583.30640	7.3
623.33875	11.5
851.35321	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	954.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	56.6
68.05830	0.7
69.03421	2.0
69.06685	0.7
69.07072	13.7
71.04992	2.1
73.02903	4.0
77.03979	0.7
79.05496	38.7
81.03418	1.6
81.07059	53.3
82.07420	0.8
83.05034	1.5
83.08621	7.8
85.02908	14.1
85.06567	1.0
91.03957	11.4
91.04901	1.0
91.05479	21.4
93.07043	42.5
95.04975	3.6
95.08610	41.4
96.08952	0.9
97.02896	7.1
97.06518	2.2
97.10157	3.5
98.23415	2.2
99.04435	0.8
99.08095	1.3
105.04487	1.1
105.07038	17.8
107.08595	23.5
109.06511	1.2
109.10158	21.7
111.08095	1.3
111.11738	0.8
113.09689	1.0
117.07035	6.7
117.76875	0.6
119.07779	1.2
119.08585	15.1
121.10146	21.7
123.11720	7.7
125.09621	0.8
127.03970	3.9
129.06999	1.7
131.08575	12.5
133.10126	15.0
135.11691	15.4
137.09746	0.9
137.13243	2.7
139.11220	1.0
143.08549	1.9
145.04945	4.6
145.10115	9.6
147.11691	13.1
149.13271	11.4
151.14879	1.2
155.35541	0.6
157.10188	2.2
159.11710	9.0
161.13263	8.1
163.06015	7.3
163.14833	6.2
169.10213	1.2
171.11688	2.7
173.13272	9.1
175.14870	3.6
177.16371	2.1
181.10176	0.7
185.13252	2.2
187.14847	4.8
189.16489	1.1
191.14313	1.0
199.14926	1.6
201.16469	1.1
203.18051	0.9
205.19565	0.7
213.16522	1.0
215.17937	1.2
233.22516	1.0
241.19640	3.8
243.21086	6.5
245.22716	0.8
259.20630	8.4
261.22159	19.6
263.23785	2.4
273.22238	1.0
279.23260	1.1
285.22003	1.0
299.23828	1.2
315.23257	1.3
317.24854	3.9
333.24274	7.0
335.25812	100.0
336.26309	4.7
337.27374	12.9
388.46527	0.7
429.33704	0.7
489.35400	0.7
503.42822	1.0
517.38916	1.0
521.43488	2.2
539.44232	0.9
595.47211	14.8
596.47827	1.5
613.48291	16.6
613.57074	0.6
614.47882	1.8
615.22778	0.9
634.00940	0.7
954.58069	0.8
955.56604	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	954.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	91.6
67.81141	0.9
68.05859	1.8
69.03434	3.3
69.07079	18.6
69.15930	5.3
69.16338	1.5
71.05011	1.6
71.08643	1.3
73.02923	6.4
77.03916	1.4
79.05499	62.5
81.03419	2.1
81.07063	89.0
82.07386	1.3
83.04990	2.9
83.08620	9.0
85.02917	19.6
85.06541	2.0
91.03966	14.7
91.05486	37.6
93.07049	65.6
95.04987	6.1
95.08615	66.0
96.04511	1.4
96.08935	1.2
97.02904	11.2
97.06535	5.2
97.10186	4.5
99.04472	1.6
99.08115	2.3
105.04549	1.5
105.07037	33.7
107.08604	36.4
109.02878	1.5
109.06557	1.8
109.09451	1.9
109.10164	29.0
111.08125	2.6
111.11726	1.1
112.56973	1.1
113.00357	0.9
117.07019	11.4
119.08594	22.3
121.10154	30.5
123.08060	1.7
123.11743	9.1
125.09671	1.1
127.03925	4.9
129.07011	2.0
130.61679	0.8
131.08588	16.7
133.10152	19.5
135.11707	18.6
137.13274	3.2
143.08566	2.6
145.04974	6.5
145.10124	14.9
147.11688	17.7
149.13266	12.1
157.10167	3.6
157.98878	1.1
159.11708	11.8
161.13272	9.4
163.05992	7.8
163.14828	5.3
171.11681	3.7
173.13304	10.4
175.14828	3.8
185.13261	3.1
187.14833	3.6
189.16434	2.5
199.14839	2.8
201.16444	2.0
215.17871	1.5
233.19000	1.3
241.19485	3.8
243.21112	7.6
257.19009	1.2
259.20551	8.6
261.22137	18.1
263.23749	2.5
317.24753	3.7
333.24298	7.2
335.25824	100.0
336.26266	6.0
337.27444	13.4
521.43396	3.1
595.39069	1.4
595.47418	15.3
613.48224	17.9
614.48572	2.1
617.40076	1.0
763.40271	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	955.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50061	0.0
68.99802	0.2
69.03436	0.4
71.29852	0.1
79.01853	8.2
80.02185	0.1
81.03421	0.6
83.01354	0.1
87.00839	0.2
91.05463	0.1
95.01318	0.2
97.02891	1.7
103.05479	0.1
107.01317	1.9
109.02875	1.0
112.00274	0.0
123.00784	0.4
125.02348	3.8
127.03919	2.2
131.04907	0.2
133.02864	0.1
135.04425	0.1
143.03398	8.7
144.03694	0.2
145.02844	0.1
147.04468	0.1
153.01826	100.0
153.02869	6.3
153.29135	0.1
154.02156	2.0
154.03255	0.1
159.04396	0.3
161.02362	0.1
161.06061	0.1
163.03894	0.4
171.02916	0.1
171.04346	0.1
173.02280	0.1
175.03986	0.1
177.05461	0.2
179.03406	0.1
187.03841	0.2
189.01860	0.3
189.05444	0.2
190.02501	0.1
191.03389	0.4
195.02782	0.1
197.00592	0.1
201.01822	0.2
203.03337	0.1
205.04933	0.6
207.02925	0.3
213.01936	0.1
215.03366	0.2
217.01305	0.5
217.04721	0.1
219.02879	0.5
221.00677	0.1
229.01343	0.1
231.02872	0.3
233.02289	0.1
233.04428	0.9
235.02313	0.6
239.01834	0.1
243.02835	0.1
245.00816	0.6
247.02448	0.4
257.00769	0.2
259.02414	0.4
261.03955	2.8
262.04272	0.1
263.01898	0.3
273.00348	0.6
275.01874	0.6
277.03418	1.0
278.03702	0.1
279.04996	1.2
285.00275	0.1
291.01349	0.2
300.99908	0.2
303.01349	1.2
319.00818	0.9
337.01898	3.9
338.02240	0.1
359.29456	0.1
427.02835	0.2
445.04172	0.4
449.07138	0.1
463.05026	0.6
489.02826	0.1
615.05347	0.1
629.22003	0.0
633.06866	0.1
785.06812	0.1
886.09924	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	956.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99773	0.3
69.03429	0.5
69.41500	0.8
69.41911	0.4
79.01857	7.6
81.03417	2.1
83.05031	0.2
87.00829	0.3
91.05499	0.3
97.02895	2.7
103.05475	0.5
107.01328	2.1
109.02885	2.7
111.04435	0.3
121.06516	0.7
123.00842	0.3
125.02345	3.6
127.03922	5.8
131.04922	0.8
143.03407	8.0
145.02821	0.2
147.04414	0.6
153.01836	100.0
153.02907	6.7
154.02184	2.7
154.03302	0.3
157.02899	0.4
159.04401	1.0
163.03922	0.5
171.02890	3.6
171.04216	0.1
173.02426	0.6
175.03976	1.1
177.05470	0.7
181.01353	0.2
185.02364	0.7
187.03889	2.2
189.05473	0.4
191.03386	0.8
193.20930	0.2
195.02850	0.2
197.00757	0.5
201.01840	1.4
203.03406	1.5
205.04880	1.3
207.02879	0.5
213.01837	1.7
215.03368	1.8
217.01402	0.3
219.02936	0.6
229.01370	1.5
230.02039	0.3
231.02899	8.1
232.03218	0.3
233.04408	1.8
241.01361	2.0
242.01399	0.2
243.02933	0.3
247.02377	1.7
257.00821	3.6
259.02380	14.4
260.02744	0.6
261.03918	2.4
275.01868	4.1
276.02554	0.5
277.03436	38.8
278.03769	1.6
279.05005	3.3
284.97302	0.4
285.00302	3.3
286.00421	0.3
287.01672	0.2
289.03348	0.4
297.06055	0.4
303.01358	45.5
304.01703	1.8
321.02469	0.8
328.99280	0.3
331.00894	0.6
339.04987	0.3
355.04382	0.5
367.04486	0.6
399.03000	0.2
411.03394	0.3
429.04593	1.6
437.34387	0.2
449.07169	2.4
455.02515	0.3
467.08926	0.3
473.03302	0.2
593.98785	0.2
619.09033	0.6
829.41754	0.2
939.09912	0.6
954.96478	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	956.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99789	0.2
69.03426	0.3
69.84898	0.5
77.27768	0.2
79.01857	7.3
81.03413	2.4
82.95313	0.2
83.04977	0.2
91.05484	0.7
93.07040	0.6
97.02898	2.4
98.23289	0.2
103.05479	0.7
107.01324	1.7
109.02881	2.3
121.06509	2.8
123.00820	0.5
125.02351	3.1
127.03915	4.9
129.03310	0.2
131.04930	0.7
143.03398	7.1
147.04399	0.7
153.01831	100.0
153.02901	6.7
154.02173	2.1
157.02870	0.7
159.04411	0.6
163.03877	0.4
171.02898	4.0
171.04333	0.3
173.02405	0.5
175.03926	1.3
177.05380	0.4
185.02406	0.5
187.03886	2.4
189.05502	0.2
191.03365	0.8
194.04552	0.4
197.00734	0.4
199.05878	0.2
201.01779	1.1
203.03377	1.5
203.99667	0.2
204.72823	0.2
205.04987	1.2
207.02899	0.6
213.01866	2.1
215.03404	2.0
217.04921	0.3
219.02904	0.7
221.00862	0.2
229.01329	1.4
231.02893	8.3
233.04466	2.1
235.02342	0.3
241.01308	1.8
247.02345	1.9
249.83951	0.2
257.00854	4.0
259.02383	13.6
260.02786	0.7
261.03949	2.5
264.05109	0.2
275.01874	4.1
276.02490	0.7
277.03433	36.7
278.03763	1.6
279.05005	4.1
285.00266	2.8
287.01907	0.3
289.03366	0.3
297.06024	0.6
303.01358	44.6
304.01727	2.5
315.01590	0.3
321.02377	0.7
328.99265	0.3
331.00705	0.6
355.04404	0.3
367.04605	0.4
385.05679	0.2
399.03598	0.3
411.03226	0.3
429.04489	1.8
430.04898	0.2
449.07205	2.6
506.45932	0.2
619.09332	0.6
693.44330	0.2
831.45978	0.2
939.10211	0.8
956.16559	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	956.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.4
69.14240	1.1
79.01859	7.5
80.02176	0.2
80.56512	0.2
81.03420	1.6
83.04971	0.2
91.05502	0.2
93.12150	0.1
97.02891	2.4
101.86172	0.2
103.05469	0.5
107.01325	1.8
108.04485	0.2
109.02876	2.5
111.04435	0.3
119.04960	0.2
123.00758	0.3
125.02363	3.2
126.83130	0.1
127.03921	5.1
131.04938	0.7
143.03404	7.9
145.02849	0.2
147.04405	0.5
153.01834	100.0
153.02908	6.7
154.02161	2.5
157.02855	0.6
159.04460	0.7
163.03897	0.3
171.02893	3.7
171.04324	0.3
173.02399	0.4
175.03920	0.7
177.05464	0.4
185.02364	0.8
187.03906	2.0
189.05499	0.5
191.03439	0.6
193.01411	0.2
195.02904	0.2
196.76274	0.2
197.00778	0.3
201.01868	1.3
203.03409	1.5
205.04944	1.3
207.02911	0.4
213.01888	1.7
213.03830	0.3
215.03401	2.0
217.01399	0.3
217.04958	0.2
217.54688	0.1
219.02924	0.4
223.02397	0.2
229.01408	1.6
230.02032	0.2
231.02885	8.3
232.03206	0.5
233.04440	2.4
241.01279	1.8
243.02859	0.2
247.02356	1.6
254.92969	0.2
255.40875	0.2
257.00839	3.7
259.02386	13.4
260.02707	0.6
261.03992	2.3
275.01859	4.2
276.02487	0.5
277.03439	39.4
278.03796	1.6
279.04990	3.7
285.00299	2.8
286.00980	0.3
287.01956	0.3
289.03445	0.3
297.06073	0.4
303.01355	45.9
304.01678	2.2
309.74506	0.2
315.01282	0.2
321.02533	0.7
328.99319	0.5
331.00870	0.5
339.05078	0.3
341.03107	0.2
355.04385	0.4
367.04388	0.6
383.04065	0.2
385.05542	0.4
393.02405	0.2
399.03339	0.2
411.03467	0.3
429.04532	1.9
444.43451	0.2
449.07227	2.4
450.07367	0.3
455.02713	0.2
619.09039	0.6
665.84485	0.2
789.86224	0.2
939.11383	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	956.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	69.8
69.07072	22.4
69.43729	21.1
69.44143	11.9
73.02922	5.0
79.05502	38.3
81.07060	74.8
83.08617	10.2
85.02904	14.1
86.23281	5.5
91.03963	10.3
91.05482	24.5
93.07042	40.0
95.08607	71.2
97.02916	16.2
99.08096	6.7
105.07058	20.8
107.08611	33.3
109.10171	34.6
117.07053	11.9
119.08598	15.3
119.33317	5.2
121.10175	17.2
123.11739	11.8
131.08618	12.8
133.10181	15.8
135.11723	19.6
145.04974	11.7
145.10104	7.4
147.11691	7.9
149.13222	5.5
153.01859	10.3
159.11668	5.9
161.13304	11.5
163.06033	13.0
175.14890	6.4
235.41589	6.2
243.21069	11.2
245.22627	5.3
259.20450	10.0
261.22055	27.5
262.30908	5.5
263.23654	7.8
303.01254	6.6
335.25812	77.7
336.26038	6.6
337.27350	100.0
338.27682	7.7
339.28943	7.7
362.14514	5.6
384.94467	5.3
387.15897	6.0
444.89957	5.7
454.69406	5.6
539.01215	5.6
597.48663	39.7
615.49829	41.5
618.06781	6.1
630.31390	5.7
744.60327	7.3
929.92334	6.3
957.60858	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	957.2836
Annotation	Vanicoside B
Peak:m/z	Relative Intensity
70.35349	0.2
71.30225	0.4
81.03408	0.7
83.20076	0.2
88.33488	0.3
89.03923	1.0
91.05486	14.2
92.05823	0.4
95.24808	0.3
103.05425	0.3
109.02892	1.4
111.68533	0.2
117.03382	3.3
119.04948	24.0
120.05260	0.7
121.06532	0.6
127.03917	0.6
134.03613	0.3
137.05978	0.8
140.39728	0.2
145.02858	7.2
145.06512	0.2
147.04416	100.0
148.04756	2.8
149.06038	1.2
167.07085	0.5
177.05479	17.1
178.05934	0.5
181.04929	0.5
186.05424	0.2
195.06642	0.3
207.41214	0.2
229.08656	0.5
273.07498	1.7
281.08109	0.9
321.09631	0.4
323.09128	0.3
326.61987	0.2
339.10901	0.6
419.11212	0.6
476.55984	0.3
485.14172	0.3
540.46368	0.3
600.06891	0.2
664.20270	0.3
957.47437	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	957.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.5
69.03437	2.4
69.07091	1.2
71.01360	0.6
71.05017	0.5
73.02921	3.1
73.53658	0.3
79.01886	0.5
79.05497	1.5
81.03419	3.3
81.07047	1.9
83.05000	1.1
83.08627	0.9
85.02908	4.9
87.04482	0.4
91.03964	2.3
91.05489	2.2
93.07021	1.8
95.04997	1.2
95.08619	0.4
97.02909	4.4
97.10194	0.6
98.22581	0.7
99.04450	0.7
101.02419	1.2
103.84616	0.3
105.07041	1.5
107.05009	0.5
107.08634	1.0
109.02917	1.3
109.10168	0.7
111.08125	0.6
114.98799	0.3
115.03919	0.4
119.08608	0.8
121.06571	0.5
121.10205	0.7
123.08088	0.8
125.09706	0.6
127.03963	1.4
129.07043	0.5
131.08588	0.8
133.10191	0.8
147.11743	1.2
153.01837	8.5
153.02917	0.7
153.12845	0.4
153.26733	0.3
154.02234	1.2
157.10240	0.7
163.11279	0.7
175.11316	0.6
185.04301	0.8
187.03995	0.4
193.12320	0.6
201.03711	0.5
203.05353	0.6
211.13411	0.7
243.08421	2.2
259.02533	1.3
260.02908	0.6
269.12204	0.4
277.03421	2.0
278.03946	1.3
301.09167	0.4
303.01431	2.8
303.15759	0.4
304.01697	1.8
307.15234	0.4
313.08966	0.4
347.09476	2.5
349.20053	1.2
363.09360	0.5
365.10840	0.6
383.16711	0.4
405.13712	4.6
405.22693	0.7
406.14154	0.4
454.05411	0.4
463.14572	0.5
469.20432	6.0
469.26651	0.5
475.14554	0.4
477.15970	0.4
545.22113	0.5
567.27795	2.8
613.24445	0.4
631.25842	6.8
632.26373	0.6
703.28766	0.5
729.33112	3.3
730.32886	0.5
795.41364	1.1
957.46625	100.0
958.46973	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.8
69.03424	1.8
69.07070	4.0
69.49803	0.3
71.01344	0.4
71.23759	0.3
71.27613	0.4
73.02914	2.5
79.05493	3.1
81.03413	0.8
81.07061	7.6
83.05013	0.5
83.08631	1.1
85.02908	2.8
90.57436	0.3
91.03977	1.5
91.05481	2.6
93.07056	2.3
95.05002	1.0
95.08624	2.7
97.02892	3.1
97.06565	0.8
99.04508	0.5
101.02420	1.3
105.07037	3.2
106.00648	0.4
107.04956	0.7
107.08627	1.5
109.02884	0.6
109.06556	0.9
109.10206	0.8
111.08095	0.5
117.07034	0.5
119.08576	2.1
121.10128	0.7
121.92076	0.3
123.08067	0.4
123.11717	0.6
127.03994	0.5
131.08614	1.0
133.10143	1.7
134.45901	0.3
135.11734	0.7
142.22160	0.4
145.10156	0.8
147.11664	1.9
149.09650	0.7
153.01884	0.7
157.10179	0.5
158.46886	0.4
159.11691	0.8
160.58862	0.3
165.12868	0.7
185.04391	0.6
197.88210	0.4
203.05276	0.6
241.11420	0.3
243.08446	2.8
275.20154	1.0
276.20700	0.3
278.11261	0.3
290.52988	0.4
303.19345	0.4
313.09045	0.6
333.20578	1.3
349.23801	0.5
389.23312	0.5
423.20041	0.9
429.26230	2.7
469.29324	0.4
485.28998	0.6
533.27484	1.3
551.28235	6.7
551.36578	0.4
587.76202	0.4
647.33960	6.2
648.34521	0.7
719.36969	0.6
773.40955	1.1
843.48999	0.5
957.55371	100.0
958.55688	15.6
958.75623	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	957.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.9
69.03445	1.7
69.07085	2.4
69.34075	0.5
72.54861	0.5
73.02929	2.2
79.05489	3.4
81.03429	2.1
81.07070	5.7
83.08630	2.3
85.02920	2.4
91.03979	1.8
91.05480	3.4
93.07048	3.1
95.08632	2.6
97.02909	3.4
97.06554	0.9
101.02396	0.9
105.07056	2.2
107.05016	1.8
107.08599	2.2
109.06546	0.8
109.10215	0.8
117.07051	0.9
119.08613	2.1
121.10158	1.3
123.08045	0.6
127.03958	0.6
131.08618	1.7
133.10144	1.8
145.10106	1.0
147.11789	0.7
149.09627	1.0
153.01915	1.6
159.11790	0.9
163.11215	1.0
164.36118	0.5
182.55243	0.6
184.60764	0.6
186.19167	0.6
188.39833	0.6
243.08452	3.0
275.20059	1.0
276.44244	0.6
279.84778	0.5
301.09021	0.7
307.55756	0.6
313.09073	0.6
315.19366	1.0
333.20682	1.6
371.22263	0.6
423.20319	1.0
429.26263	1.2
481.20554	0.9
533.27240	3.7
551.28351	9.0
570.75269	0.7
647.34027	4.6
773.40735	4.1
843.49170	2.2
865.93439	0.7
957.55444	100.0
958.55713	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99785	0.2
69.03420	0.3
70.61717	0.3
75.38381	0.1
75.65675	0.1
79.01857	6.1
81.03416	0.4
82.10531	0.1
84.52397	0.1
87.00811	0.2
95.01318	0.1
97.02891	1.3
107.01315	1.2
109.02892	1.1
123.00774	0.3
125.02352	3.1
127.03925	3.2
131.04924	0.2
139.03957	0.1
143.01720	0.2
143.03398	7.2
153.01833	100.0
153.02882	5.7
154.02167	2.5
154.03384	0.2
159.04425	0.4
163.03938	0.2
164.08173	0.1
165.02031	0.1
167.07063	0.2
177.05458	0.3
181.01332	0.2
183.03015	0.2
205.04951	0.6
206.12070	0.1
213.35690	0.1
215.03307	0.3
217.04947	0.2
233.04425	1.6
243.02885	0.4
261.03964	1.9
262.04355	0.1
279.04999	3.5
280.05347	0.2
287.05508	2.9
299.01855	0.3
305.02924	2.5
317.02911	0.3
331.04510	1.0
431.06064	0.3
449.06122	0.2
449.11151	0.4
640.09320	0.1
771.10547	1.3
772.10394	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	958.6461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	69.3
69.03434	2.6
69.07071	28.3
70.96273	2.5
71.05001	1.5
71.08622	3.1
73.02919	4.0
78.24799	1.4
79.05492	25.3
81.03397	1.9
81.07058	73.7
83.04989	2.1
83.08622	18.8
85.02899	14.7
85.06522	1.9
85.10207	2.2
91.03963	10.4
91.05490	18.8
93.07048	26.8
95.04980	1.9
95.08610	60.4
96.08953	1.4
97.02887	9.2
97.06540	5.5
97.10162	9.9
99.08108	2.4
105.07036	12.4
107.08597	17.1
109.10161	24.1
111.08096	2.5
111.11726	2.4
114.32552	1.5
117.06998	2.2
119.08580	11.1
121.10136	14.3
123.08127	1.6
123.11702	8.1
127.03934	3.9
131.08572	4.1
133.10126	9.0
135.11681	8.4
137.13251	3.2
139.11206	1.6
145.04958	6.1
145.10089	3.6
147.11734	5.6
149.13251	4.5
151.14885	1.8
159.11653	2.6
161.13263	5.8
163.06049	4.6
163.14806	4.1
173.13275	2.1
175.14801	2.9
177.16508	2.7
243.21117	3.0
245.22734	5.9
249.25826	1.5
261.22061	6.6
263.23682	6.0
275.23557	1.7
335.25836	5.5
337.27377	100.0
338.27789	7.5
339.29013	10.7
505.39157	2.0
525.46753	3.1
531.00671	1.3
543.47833	2.6
599.50421	36.5
600.50781	2.8
617.42084	2.1
617.51416	33.7
618.51740	2.5
695.59497	1.4
959.55756	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	958.6458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	66.4
69.03442	3.0
69.07070	38.6
70.45160	2.9
71.05027	1.7
71.08636	4.7
73.02911	4.9
79.05498	42.9
81.03400	1.4
81.07060	78.0
83.04990	1.8
83.08622	27.7
85.02908	19.9
85.06561	2.7
85.10175	2.2
91.03959	14.4
91.05482	19.9
93.07050	49.6
95.04983	3.9
95.08609	65.1
96.04471	1.5
97.02903	13.7
97.06533	4.3
97.10177	17.0
99.04491	1.4
105.07041	16.1
107.08597	29.7
109.10159	27.6
111.08108	3.1
111.11732	3.8
115.03921	1.3
117.07021	5.3
119.08596	13.0
121.10143	33.9
123.11709	10.0
125.27090	1.5
127.03898	4.9
131.08559	11.5
133.10156	9.9
135.11703	21.9
137.13245	4.0
143.08469	2.0
145.04970	8.4
145.10164	7.2
147.11717	5.7
149.13269	12.0
149.20949	1.5
151.14789	3.3
155.17249	1.6
159.11720	6.0
161.13261	6.3
163.06061	8.8
163.14798	7.9
173.13290	6.1
175.14920	2.6
177.16397	1.8
179.17824	1.6
187.14841	5.0
204.61687	1.6
209.69806	1.4
243.21075	10.6
247.24374	1.9
261.22162	33.0
263.23862	1.8
265.25302	4.1
276.22662	1.4
317.24765	9.5
335.25812	87.4
336.26230	5.2
337.27396	25.6
339.28955	100.0
340.29303	5.9
353.26532	1.9
371.90167	1.4
524.31415	1.7
525.46338	2.7
599.50378	48.6
600.50085	5.2
617.51337	20.4
618.51245	2.4
641.30841	1.4
680.44983	1.4
689.45563	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	959.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.8
69.03444	3.7
69.04779	1.7
69.05210	2.3
69.07072	0.6
71.01373	0.7
71.05021	0.7
71.70631	0.4
73.02904	3.3
79.05510	2.2
81.03441	0.9
81.07057	2.9
83.08641	0.4
85.02908	5.2
91.03952	2.9
91.05505	1.2
92.39921	0.5
93.07050	2.5
95.08627	2.0
97.02892	4.5
99.04488	0.8
101.02396	1.6
105.07070	0.5
107.08603	1.4
109.02904	0.6
109.10174	0.8
121.10179	0.6
127.03959	1.2
145.10181	0.5
146.17799	0.4
185.04282	0.8
203.05424	0.6
243.08559	1.8
283.28799	0.4
320.92136	0.5
347.09772	1.4
365.10706	1.2
405.13486	4.2
519.29333	5.0
681.34570	10.0
682.35388	0.9
797.51599	1.2
824.97070	0.5
856.62970	0.5
959.56976	100.0
960.57233	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	961.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.8
69.03447	2.2
69.07091	0.9
70.93190	1.0
71.05033	0.5
73.02908	2.2
79.05511	1.6
81.03445	1.6
81.06664	0.5
81.07051	2.5
83.08658	0.6
85.02908	5.5
91.03961	3.1
91.05515	0.7
93.07075	1.2
95.08623	2.3
97.02899	5.6
97.03448	0.5
99.04481	0.8
101.02409	1.6
105.07123	0.5
107.08626	0.5
109.02897	0.8
109.10187	0.9
113.18512	0.4
119.08606	0.5
121.10182	0.8
123.11735	0.5
127.03945	2.0
135.11656	0.7
183.20082	0.4
185.04356	1.3
203.05403	1.2
243.08598	1.8
285.99829	0.4
347.09613	1.8
365.10757	0.8
405.13736	5.3
406.14075	0.7
519.29401	3.0
521.30908	2.8
681.34601	6.6
682.35779	0.7
683.36023	3.2
799.53278	0.9
961.58563	100.0
962.59009	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	962.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05199	3.7
67.05512	23.8
69.03426	8.2
69.07072	22.8
71.04999	1.9
71.08635	16.6
71.28191	2.2
74.13059	2.0
79.05499	15.5
81.03426	6.2
81.07063	22.8
83.04974	2.6
83.08635	11.8
85.02905	3.3
85.10176	10.0
91.03957	2.9
91.05492	10.4
93.07036	11.8
95.04980	5.2
95.08616	21.6
97.02895	13.5
97.06538	3.2
97.10168	14.7
105.07037	8.2
107.04973	6.6
107.08600	11.2
109.06513	3.2
109.10167	11.3
117.07059	5.2
119.08582	10.1
121.06509	2.7
121.10165	4.2
123.08078	2.3
123.11690	3.3
125.09661	7.3
129.06973	3.1
131.08554	7.1
133.06491	3.1
133.10156	3.7
135.08054	2.9
135.11719	2.1
137.09627	2.7
143.08632	3.3
145.10147	4.2
147.08058	3.5
157.09978	1.8
159.11749	2.7
161.09537	3.0
165.09090	2.3
173.09546	2.0
189.11249	3.5
199.11372	2.9
223.13341	23.5
227.12827	5.9
249.14935	3.2
255.98425	2.1
273.18420	14.1
289.30435	2.0
291.19550	100.0
292.19901	4.5
313.27362	80.5
314.27786	5.0
347.22116	3.1
365.23245	65.7
366.23657	4.1
480.78326	2.0
523.39789	4.5
603.46222	100.0
604.46674	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	962.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05199	3.7
67.05512	23.8
69.03426	8.2
69.07072	22.8
71.04999	1.9
71.08635	16.6
71.28191	2.2
74.13059	2.0
79.05499	15.5
81.03426	6.2
81.07063	22.8
83.04974	2.6
83.08635	11.8
85.02905	3.3
85.10176	10.0
91.03957	2.9
91.05492	10.4
93.07036	11.8
95.04980	5.2
95.08616	21.6
97.02895	13.5
97.06538	3.2
97.10168	14.7
105.07037	8.2
107.04973	6.6
107.08600	11.2
109.06513	3.2
109.10167	11.3
117.07059	5.2
119.08582	10.1
121.06509	2.7
121.10165	4.2
123.08078	2.3
123.11690	3.3
125.09661	7.3
129.06973	3.1
131.08554	7.1
133.06491	3.1
133.10156	3.7
135.08054	2.9
135.11719	2.1
137.09627	2.7
143.08632	3.3
145.10147	4.2
147.08058	3.5
157.09978	1.8
159.11749	2.7
161.09537	3.0
165.09090	2.3
173.09546	2.0
189.11249	3.5
199.11372	2.9
223.13341	23.5
227.12827	5.9
249.14935	3.2
255.98425	2.1
273.18420	14.1
289.30435	2.0
291.19550	100.0
292.19901	4.5
313.27362	80.5
314.27786	5.0
347.22116	3.1
365.23245	65.7
366.23657	4.1
480.78326	2.0
523.39789	4.5
603.46222	100.0
604.46674	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	964.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	56.9
69.03433	10.5
69.07073	28.5
69.49628	2.7
69.50007	5.1
71.01350	1.3
71.04991	4.8
71.08636	29.6
73.02908	2.4
79.05152	1.0
79.05492	35.3
81.03432	11.3
81.07056	76.6
83.04987	11.5
83.08621	20.7
85.02910	15.5
85.06532	3.3
85.10187	19.3
89.05995	2.0
91.03965	4.3
91.05481	37.0
93.06470	2.8
93.07046	41.6
93.07636	2.3
95.04968	10.1
95.08607	50.8
96.08927	1.6
97.02902	9.6
97.06528	12.7
97.10175	10.3
99.04457	2.7
99.08096	4.1
103.07606	2.0
105.07024	25.2
107.04957	8.2
107.08594	26.7
109.02879	3.4
109.06515	5.8
109.10159	23.1
111.04436	1.7
111.08080	5.4
111.11723	2.1
113.09662	1.6
115.01843	1.2
115.03958	1.5
115.05437	2.8
117.07037	11.9
119.08587	21.4
121.06524	5.3
121.10153	14.0
123.08089	3.2
123.11696	7.5
125.09662	3.5
127.03935	4.9
128.06175	1.3
129.05510	2.6
129.07007	4.4
131.08568	18.3
133.10136	18.8
135.08057	4.1
135.11685	13.6
137.06041	1.2
137.09639	3.1
139.11192	1.8
141.06940	1.8
143.08611	2.8
145.04971	2.8
145.10120	13.0
147.08061	1.3
147.11691	8.4
149.09634	9.5
149.13255	11.9
151.11147	1.9
153.96002	1.1
155.08565	1.5
157.10167	4.7
159.11708	11.4
161.13255	3.5
163.06052	1.9
163.11168	7.3
165.09317	1.3
169.10121	2.2
171.08215	1.4
171.11696	3.3
173.04465	2.5
173.09579	1.7
173.13254	4.7
175.11223	1.3
177.12773	3.4
179.10434	1.5
179.14331	2.1
181.12219	1.3
183.11777	2.5
189.11241	1.7
195.13797	5.5
211.75909	1.3
217.15875	1.9
227.12776	3.9
227.91957	1.3
229.14412	2.8
239.17972	2.8
239.23746	3.7
246.17213	1.3
247.20538	1.4
255.15967	10.9
257.19061	7.3
257.24728	3.6
267.15918	1.8
269.17471	32.1
275.20050	27.9
291.19757	1.9
293.17661	1.7
293.21078	3.3
309.20721	1.5
313.27362	100.0
314.27734	7.3
316.76886	1.2
321.17334	1.5
321.24173	1.6
331.22772	3.4
349.23746	22.5
350.23926	3.2
367.24692	6.9
413.21692	3.6
467.37265	2.8
470.59961	1.4
491.40604	2.0
493.38806	19.3
494.38763	2.2
507.40466	81.6
508.40573	8.3
547.43365	5.6
548.43280	1.4
587.46765	32.6
588.47150	4.5
605.47699	14.3
606.48090	2.6
611.41797	1.5
651.44135	2.5
749.51184	1.7
974.86572	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	964.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05178	2.9
67.05505	23.8
69.03446	2.5
69.07069	15.5
71.04982	2.9
71.08633	23.2
79.05496	17.5
81.03407	3.6
81.07059	30.6
83.04980	5.3
83.08623	24.8
85.02908	5.8
85.10187	15.7
91.05479	15.6
93.07055	17.4
95.04975	33.1
95.08607	30.0
96.08917	2.0
97.02904	2.0
97.06534	2.6
97.10168	14.9
99.04455	4.2
105.07039	15.2
107.04941	7.6
107.08608	18.4
109.06516	2.9
109.10149	18.0
111.04462	6.1
111.08053	3.7
117.07008	5.8
119.08597	14.1
120.54617	1.7
121.06528	3.1
121.10162	10.4
123.08076	3.1
123.11745	4.4
125.09620	10.7
129.06985	2.6
131.08548	6.2
133.10144	11.7
135.08005	4.2
135.11679	8.1
143.08549	2.2
145.10132	13.1
147.08131	2.5
147.11659	5.0
149.09619	16.8
157.10156	2.2
159.11691	4.7
161.09601	1.6
161.13269	2.2
163.11191	18.6
165.12781	2.2
169.10143	2.2
173.13289	2.0
175.11237	2.3
177.12697	2.6
189.11273	5.8
194.37849	1.9
197.13260	2.0
205.12320	2.4
223.13298	19.2
227.12767	6.8
229.19621	2.3
239.17798	2.8
239.23611	1.8
257.19040	5.4
257.24924	2.8
275.20056	30.9
293.21057	15.8
313.27368	100.0
314.27615	5.5
335.44458	1.9
349.23605	12.6
367.24814	21.4
481.64310	2.1
495.48572	1.7
504.25992	2.1
587.46631	21.8
605.37775	4.0
605.47705	83.1
606.47772	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	964.6203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	19.6
69.03444	1.7
69.07075	10.0
71.05010	1.9
71.08636	13.3
73.02910	0.9
76.63963	0.9
79.05501	17.4
81.03423	3.1
81.07059	24.2
83.04987	4.7
83.08620	18.3
85.02916	5.4
85.06533	1.7
85.10178	7.3
86.07298	1.0
87.42254	0.9
91.03940	2.0
91.05481	15.0
93.07050	17.3
95.04973	29.0
95.08612	20.8
97.02900	1.2
97.06509	2.4
97.10166	7.6
99.04471	2.4
103.07581	1.1
105.07033	14.4
107.04977	6.8
107.08597	15.3
109.06512	3.5
109.10162	9.8
111.04450	5.5
111.08091	3.3
112.41285	0.9
115.46313	0.9
116.76353	0.9
117.07012	5.9
119.08593	12.4
121.06496	2.4
121.10154	9.9
123.08099	1.7
123.11716	1.8
125.09619	4.8
127.03947	1.1
129.07033	1.7
131.08575	8.3
133.06511	1.2
133.10133	7.7
135.08060	3.1
135.11687	4.2
135.99347	0.9
137.09547	2.1
137.13260	1.8
139.11136	1.2
140.39281	0.8
143.08585	1.5
145.10106	10.5
147.08046	1.1
147.11722	5.3
149.09621	13.4
149.13351	1.6
151.11224	1.2
153.12758	1.1
157.10204	1.3
159.11685	5.4
161.09584	1.5
161.13274	2.0
163.11179	12.6
165.12798	1.1
169.10135	1.7
173.13240	1.2
177.12785	2.5
181.12367	1.2
187.11185	1.4
189.11221	6.5
197.13281	1.5
205.12285	2.6
206.43250	0.8
223.13309	21.1
227.12523	1.1
227.97275	0.9
229.19463	1.1
239.17967	3.0
239.23782	1.6
242.04335	1.0
255.95566	0.8
257.19086	6.0
269.17517	3.5
275.20065	39.7
276.20358	1.1
278.10632	0.9
293.21106	28.4
294.21445	1.8
313.27368	92.3
314.27713	3.9
331.22549	1.0
349.23694	20.5
367.24802	48.4
368.25079	3.5
458.89590	1.1
493.38431	1.3
507.40305	4.5
547.65625	0.9
587.46686	24.4
588.46802	3.1
605.47766	100.0
606.48151	10.3
623.49176	1.5
999.27679	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	964.6199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	28.8
69.03433	1.7
69.07070	16.5
71.05006	2.4
71.08630	17.9
73.02944	1.9
79.05492	20.2
81.03420	3.4
81.07059	66.4
83.04983	5.0
83.08623	10.9
85.02895	6.0
85.06554	2.4
85.10192	8.9
88.96056	1.2
91.03970	4.3
91.05486	17.6
93.07046	15.0
95.04992	6.2
95.08046	2.3
95.08611	27.5
97.02886	3.6
97.06544	5.0
97.10180	4.6
99.08099	2.5
105.07028	18.5
107.04967	6.4
107.08601	11.0
109.06521	16.5
109.10128	11.2
111.08096	1.7
117.07042	4.6
119.08602	15.9
121.06539	2.4
121.10146	7.6
123.08078	5.0
123.11720	5.4
127.03906	2.4
129.07030	2.4
131.08554	8.0
133.06529	1.5
133.10138	10.4
135.08096	3.0
135.11705	4.0
137.09633	2.3
137.13307	1.3
140.68518	1.3
145.04961	1.4
145.10107	7.0
147.11703	9.8
149.09653	5.0
149.13271	4.5
151.11191	2.5
155.08632	1.2
157.10175	2.8
159.11684	3.7
161.09644	2.4
161.13232	2.0
163.06049	1.8
163.11201	4.7
163.14807	2.2
165.12775	3.8
166.04430	1.2
173.09508	1.4
173.13263	2.7
175.11255	2.5
193.12245	1.8
229.19527	3.2
239.17905	1.7
239.23669	3.0
247.20544	2.1
248.92012	1.3
257.18997	4.0
267.16183	2.0
275.20059	56.7
276.20459	3.3
293.21091	20.2
313.27359	100.0
314.27631	4.9
349.23755	37.5
350.24026	2.1
367.24820	48.5
368.25085	2.2
499.39902	1.2
507.40317	5.0
587.46710	88.5
588.46637	10.6
605.47748	89.7
606.48083	10.6
949.04047	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	964.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00617	6.1
67.05509	39.1
69.07088	12.2
69.41558	35.1
71.08643	15.0
73.77518	5.8
79.05495	25.0
81.07070	51.4
83.08629	14.2
85.02903	12.0
88.60947	6.1
89.05939	5.5
91.05499	22.4
93.07054	21.6
95.08611	26.7
97.06553	9.7
97.10171	6.7
105.07021	16.6
107.08588	14.2
109.10154	14.5
119.08594	12.2
121.10187	8.1
123.11768	8.3
131.08647	8.4
135.11687	8.7
145.10182	9.1
159.11636	10.6
163.92494	6.2
203.11145	6.1
268.06079	5.8
269.17581	26.2
275.20056	22.2
302.22861	6.6
313.27335	100.0
321.11557	5.9
349.23740	21.8
367.24878	13.3
432.98773	5.6
493.38403	9.3
507.40393	57.1
508.40839	8.2
545.24811	6.2
587.46875	30.9
605.47375	25.5
606.47955	7.8
706.28802	7.4
926.63849	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	966.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	1.0
71.30163	0.7
84.08151	0.9
89.73281	0.5
91.05499	1.5
106.02692	0.6
110.07188	0.8
117.03415	1.3
119.04987	1.5
121.06545	2.0
137.06041	1.3
145.02893	1.5
147.04425	4.6
151.03885	0.7
160.07436	1.2
167.07104	1.0
172.12677	0.6
175.03671	33.0
176.04231	1.0
177.05490	3.3
186.05270	8.8
187.06088	0.7
189.05283	0.8
201.05586	1.5
204.03943	0.8
204.06479	0.6
205.04829	2.4
291.71014	0.5
322.10471	0.7
323.09259	1.2
336.12100	9.6
337.12433	0.8
351.08640	0.7
352.11700	1.1
353.12320	0.7
356.65082	0.6
410.13245	0.8
424.11310	0.8
438.13165	0.6
439.14044	1.8
440.14536	1.1
453.15350	4.7
453.52737	0.6
483.16199	1.3
488.17075	0.8
635.20776	1.2
636.22327	1.9
637.22778	2.6
653.25433	0.6
782.27570	0.8
784.29938	0.8
814.30933	2.4
966.35144	100.0
967.35278	15.3
982.89063	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	966.526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	28.2
69.03426	7.9
69.07069	15.8
71.04992	3.6
71.29239	1.5
76.56361	1.2
79.05499	25.5
79.05965	1.7
81.03417	58.6
81.07059	27.9
83.04993	6.4
83.08614	16.4
85.02915	3.5
85.06551	2.0
91.05481	26.3
93.07044	22.3
95.04967	24.0
95.08614	11.8
97.02896	9.9
97.06535	5.1
97.10181	9.6
105.04507	1.3
105.07027	19.1
107.04949	10.2
107.08581	12.0
109.06528	4.8
109.10182	11.2
111.08102	4.8
113.06017	1.9
115.05396	1.9
117.07034	7.4
119.04893	2.7
119.08583	18.0
121.06527	5.8
121.10110	9.2
123.08084	4.0
125.09649	8.4
129.07001	6.3
131.08562	14.5
133.06520	4.5
133.10132	12.7
135.08064	3.8
135.11697	3.2
137.09598	1.8
143.08591	4.0
145.06390	1.8
145.10126	9.2
147.08070	7.1
147.11679	8.5
149.09651	3.4
149.13260	1.9
151.11206	2.6
155.08611	1.5
157.10141	7.6
159.08110	1.7
159.11635	2.1
161.09641	2.4
163.11174	4.0
169.10121	1.6
171.11714	3.3
175.11194	6.9
177.12744	1.6
189.11259	4.2
193.12277	14.4
195.13878	1.3
205.12271	1.9
211.13345	1.8
219.13799	2.6
223.13277	13.0
227.12793	5.1
229.14322	1.6
237.12671	1.4
245.19041	1.7
249.14981	3.2
253.14320	7.0
267.15918	59.5
268.16190	2.5
273.18478	7.1
275.20148	3.8
283.15482	2.0
291.19547	57.9
292.19891	3.6
309.20654	1.4
313.21692	3.7
349.16782	1.4
349.23785	3.5
365.23236	39.1
366.23688	1.9
385.23917	2.0
445.25549	4.0
459.27405	6.5
463.26950	2.4
477.28217	3.4
520.35992	1.5
539.34070	8.9
557.34741	100.0
558.35175	10.0
575.35284	4.3
589.37695	1.8
599.35736	2.4
607.38757	2.7
701.38898	1.9
967.43585	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	968.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	21.8
67.60224	0.8
69.03431	3.1
69.07066	11.6
71.04990	3.8
73.02909	1.0
79.05495	28.3
81.03418	60.3
81.07058	28.3
83.04990	8.9
83.08623	22.1
85.02904	6.1
85.06542	2.5
91.03946	1.4
91.05481	31.3
93.07043	26.9
95.04972	52.6
95.08600	13.1
97.02909	2.7
97.06512	4.5
97.10171	8.6
99.04451	3.3
101.89596	0.8
103.05476	1.2
105.07037	24.8
105.65628	0.9
107.04949	9.2
107.08592	19.4
107.09286	1.6
109.06530	6.4
109.10159	8.8
111.04420	6.4
111.08091	6.0
115.05487	1.5
117.07012	8.5
119.08576	19.6
120.08958	0.9
121.06524	6.6
121.10142	11.9
123.04411	1.3
123.08047	5.5
123.11748	2.7
125.09592	7.0
128.06212	1.3
129.07011	8.8
131.08566	14.7
133.06490	2.9
133.10124	11.7
135.08055	4.1
135.11714	5.4
137.09641	2.2
139.11156	1.2
142.07771	2.6
143.08594	2.8
143.10616	1.2
145.06529	1.3
145.10126	11.8
147.08051	6.0
147.11700	10.8
149.09627	17.2
149.10738	1.7
149.13271	1.2
150.10048	1.2
151.11201	2.5
153.09120	2.3
153.12759	2.0
155.08496	1.2
157.10130	8.9
159.11697	5.4
161.09656	3.7
161.13287	2.4
163.11179	17.6
165.12715	2.2
169.10193	2.0
171.10257	1.0
171.11702	2.7
173.09650	1.8
173.11865	0.9
173.13240	1.7
175.11215	8.4
176.11601	1.2
177.12769	2.9
181.10136	1.0
181.12259	1.1
183.11722	2.4
185.09795	1.0
185.13347	1.7
187.11201	2.7
187.14900	1.7
189.11237	5.4
189.12769	1.5
193.12244	14.4
205.12210	3.1
207.13828	1.2
211.13258	1.4
223.13297	14.6
227.12785	2.5
229.14273	1.2
229.19516	1.0
239.17990	1.2
249.14920	1.2
257.19052	2.8
267.15915	83.3
268.16260	3.7
269.17377	2.2
275.20053	26.5
276.20450	1.7
291.19547	2.3
293.21115	17.2
294.21417	1.4
309.16968	2.2
341.20883	1.3
349.23752	17.6
356.29636	0.9
367.24783	30.9
368.25021	2.8
399.25586	1.0
433.25720	8.2
449.30539	2.0
461.28815	4.3
467.31604	3.0
489.28275	1.1
493.31686	1.0
533.34729	1.8
541.35187	28.9
542.35602	4.3
559.36304	100.0
560.36627	12.6
577.37286	2.7
583.36499	1.7
591.38550	1.0
601.37128	1.2
667.37775	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	968.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	22.8
69.03433	4.1
69.07072	15.5
71.04987	3.3
71.21272	4.8
72.63293	2.6
73.82279	3.3
76.02240	3.6
79.05502	29.6
81.03417	55.6
81.07056	55.7
83.04993	6.9
83.08603	16.8
91.05474	25.0
93.07040	23.3
95.04958	22.5
95.05379	2.2
95.08603	17.8
97.06548	7.4
97.10153	5.2
105.07040	24.7
107.04971	12.5
107.08592	14.9
109.06538	13.0
109.10181	4.6
111.08084	6.3
116.01688	3.2
117.07046	7.1
119.08584	20.6
121.06528	7.4
121.10144	13.7
123.08035	4.1
125.09607	4.8
129.07028	8.6
131.08589	11.9
133.06444	3.4
133.10095	14.1
135.08028	6.6
135.11694	3.1
137.30994	2.8
142.43404	2.8
143.08589	3.6
144.01128	3.3
145.10159	8.9
147.08060	4.8
147.11659	16.2
149.09616	8.2
149.13301	5.2
153.01825	5.6
157.10170	11.3
159.11728	6.1
161.13266	3.2
162.02164	3.3
163.11185	5.0
171.11749	4.2
175.11223	8.8
179.04745	5.7
193.12286	13.3
207.13925	4.0
227.12813	3.8
267.15921	86.3
268.16293	7.3
275.20154	24.4
293.21313	7.0
308.09140	10.7
349.23737	19.1
367.24838	34.9
461.28751	8.8
467.31915	6.6
531.37311	4.0
533.82843	3.1
541.35248	51.5
542.35547	4.7
559.36249	100.0
560.36456	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	968.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	50.4
69.03438	5.3
69.07082	19.1
71.04992	6.5
71.29255	5.9
76.02270	5.4
79.05491	42.7
81.03420	72.9
81.07056	83.9
83.04983	9.5
83.08616	21.4
85.02934	6.7
91.03958	4.9
91.05488	52.5
93.07050	40.7
95.04971	30.5
95.08616	27.1
97.06522	13.2
97.10192	12.9
105.07025	35.3
107.04970	18.9
107.08636	24.9
107.87486	5.2
109.06528	11.2
109.10167	8.7
111.08112	10.5
117.07037	15.6
119.08578	27.4
121.06537	8.1
121.10169	15.3
123.08080	4.8
123.55320	4.6
129.07068	11.9
131.08598	23.2
133.06477	7.6
133.10144	24.6
135.08006	5.2
135.11655	5.1
137.09622	5.2
145.10155	7.5
147.08092	6.4
147.11723	18.0
149.09657	12.0
149.13261	5.6
153.01834	14.8
157.10103	12.4
159.11716	12.3
175.11191	8.1
184.07346	7.4
193.12254	21.3
227.12946	4.6
267.15900	80.3
269.17523	18.9
275.20111	21.1
293.20856	5.8
301.03699	4.6
308.09119	8.4
349.23715	14.1
367.24680	30.2
447.27252	16.3
448.27737	5.4
461.28989	79.7
462.29495	8.7
503.29871	5.5
541.35168	52.3
559.36365	100.0
560.36462	11.1
573.37286	5.3
647.15582	5.4
946.40302	6.0
947.38733	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	968.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	23.0
69.03427	2.0
69.07073	14.2
71.04987	1.3
71.08610	1.1
72.22729	1.0
73.02919	1.4
79.05502	24.9
81.03420	3.3
81.07060	32.4
83.04971	3.1
83.08620	4.9
85.02901	2.6
91.05484	25.8
93.07047	23.0
95.01331	3.3
95.04983	6.0
95.08608	23.6
97.02865	2.3
97.06548	8.7
97.10180	2.1
105.07031	30.9
107.04972	6.5
107.08596	11.0
109.06530	4.9
109.10153	6.8
111.08036	1.4
115.05377	1.7
117.07022	7.4
119.08590	18.1
121.10150	7.3
123.08029	2.1
123.11726	2.2
129.07028	1.6
131.04955	1.4
131.08582	12.0
133.10136	16.3
135.08069	2.1
135.11699	5.2
137.09657	1.4
143.08583	2.3
145.10120	8.3
147.08083	1.2
147.11717	7.3
149.09589	1.8
149.13274	3.1
157.10201	1.4
159.11722	4.3
161.13193	2.4
163.11165	3.1
165.09097	1.5
173.13303	2.8
177.12640	1.4
179.14319	4.4
187.14815	1.3
197.82970	1.2
219.13809	1.2
219.17415	9.4
257.19086	2.8
275.20065	33.2
276.20502	3.0
293.21036	1.5
294.09238	1.3
335.25815	34.8
336.26184	2.1
349.23743	20.0
497.30762	2.0
609.45203	100.0
610.45544	17.1
659.35962	3.8
969.57648	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	44.5
69.03426	7.3
69.06377	2.8
69.07069	25.2
71.04998	3.8
71.09040	3.4
71.09399	3.5
79.05064	4.5
79.05497	57.2
81.03424	8.4
81.07061	100.0
83.05012	13.2
83.08614	16.9
85.06508	3.3
86.09718	3.0
87.99173	2.4
91.05489	44.2
93.07053	30.9
95.04971	19.5
95.08615	24.1
97.02863	3.0
97.06549	12.8
97.10173	11.6
103.05486	2.6
105.04469	2.9
105.07040	33.7
107.04939	14.9
107.08585	23.8
109.06525	27.7
109.10141	12.4
111.04454	5.2
111.08067	6.9
117.07023	16.5
119.08589	32.3
121.06514	10.4
121.10135	14.4
123.08077	8.3
123.11713	5.6
125.09625	9.7
128.06250	3.1
129.06996	7.1
131.08569	16.2
133.06526	4.0
133.10130	16.8
135.08060	9.6
135.11693	11.1
137.09596	4.7
143.08516	7.8
145.06430	2.8
145.10126	18.1
147.08029	10.7
147.11690	17.2
149.09624	11.3
149.13252	3.7
153.09064	3.1
157.10124	8.8
159.11684	10.1
161.09619	7.2
161.13275	4.4
163.11179	11.7
165.09152	4.9
165.12746	5.7
171.11687	4.7
173.09630	5.3
175.11220	5.2
184.07379	5.3
185.13289	3.3
189.11234	6.9
191.10655	6.9
195.11613	2.9
206.18169	2.5
223.13225	4.2
227.12766	13.5
245.19051	6.9
255.17509	3.1
257.19064	5.8
273.18497	36.0
275.20084	50.2
276.20209	3.0
283.15320	3.2
291.19562	46.3
293.21106	11.9
309.14200	2.9
309.20465	4.3
314.69986	2.8
320.30499	2.7
347.22232	15.1
349.23694	25.7
350.24033	3.6
365.23322	18.4
367.24829	33.4
368.24921	3.8
461.28741	8.3
463.30569	5.0
479.29971	4.8
519.33118	4.6
557.34613	4.9
621.40894	8.2
639.42578	16.2
657.43634	13.9
658.44788	3.5
670.32605	2.8
735.48151	7.7
753.49402	16.5
771.50891	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.12
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.2
69.03430	0.4
71.29151	0.1
79.01857	8.7
80.02189	0.1
81.03410	0.7
83.01341	0.1
87.00848	0.3
91.83575	0.0
95.01330	0.1
97.02894	1.8
105.03426	0.1
107.01317	1.7
109.02892	1.0
113.15961	0.1
121.06533	0.1
123.00786	0.4
125.02359	3.9
126.02637	0.0
127.03925	3.4
130.40881	0.1
131.04936	0.2
133.02859	0.2
137.02330	0.1
143.03404	8.6
144.03746	0.2
145.02901	0.1
147.04414	0.1
150.64880	0.1
152.73981	0.1
153.01834	100.0
153.02863	6.3
154.02159	2.4
154.03200	0.1
159.04434	0.3
161.02356	0.2
163.03941	0.4
165.01805	0.1
175.03889	0.1
177.05475	0.2
179.03412	0.2
181.01346	0.1
185.04510	0.1
187.03897	0.2
189.01907	0.3
189.05440	0.3
191.03439	0.4
195.02838	0.1
197.00768	0.1
201.01888	0.1
203.03535	0.1
205.04968	0.7
207.02975	0.3
215.03415	0.2
217.01350	0.7
217.04982	0.1
218.01891	0.1
219.02930	0.5
221.00850	0.2
229.01355	0.1
231.02826	0.1
233.04436	1.0
235.02365	0.9
243.02826	0.1
245.00858	0.7
247.02463	0.2
249.03947	0.2
259.02365	0.1
261.03961	3.0
262.01300	0.1
262.04333	0.2
263.01877	0.4
273.00327	0.7
275.01968	0.2
277.03458	0.3
279.04993	1.6
280.05441	0.1
283.27023	0.0
287.01926	0.1
291.01395	0.2
300.99808	0.2
303.01376	0.2
305.03009	0.3
319.00861	2.3
320.01102	0.1
333.02444	0.6
337.01816	0.1
351.03485	1.6
352.03781	0.1
427.02863	0.2
441.04752	0.2
445.03998	0.7
449.07263	0.1
459.05429	0.2
471.01990	0.1
477.06741	0.3
629.07446	0.1
799.08881	0.1
969.11987	0.1
969.65833	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	969.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	0.2
77.03909	0.1
78.04700	0.2
79.05505	0.1
79.14035	0.1
81.03416	0.7
89.03326	0.1
89.03913	4.5
91.05479	17.6
92.05822	0.3
94.43138	0.1
95.04980	0.1
97.02895	0.1
103.05455	0.2
105.03407	0.1
105.04510	0.1
106.04170	0.2
109.02882	2.1
117.03380	10.4
118.03686	0.1
119.04942	32.3
120.05256	0.7
121.06522	0.2
127.03931	0.5
129.04500	0.1
131.04866	0.1
134.03606	0.8
135.04414	0.7
137.05991	0.1
145.02849	21.5
146.03198	0.5
147.04405	100.0
148.04741	2.4
149.05968	3.2
149.07201	0.1
158.06030	0.1
162.03186	0.1
163.03882	0.3
165.05458	0.3
166.01811	0.1
167.07076	0.1
177.05463	46.6
178.05807	1.1
179.03308	0.1
181.04927	0.1
186.05498	0.6
189.05449	0.1
195.06535	0.1
259.09628	0.2
273.07559	1.2
285.07458	0.1
303.08636	0.3
309.09586	0.1
321.09711	0.3
339.10522	0.2
419.11078	0.2
449.11981	0.1
467.12787	0.1
485.14407	0.3
515.15454	0.1
576.51837	0.1
701.91669	0.1
936.32025	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	969.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	3.7
69.03443	4.4
69.07080	1.7
71.01381	0.9
71.05023	0.6
71.08649	1.0
73.02921	4.2
77.80851	0.5
79.05502	2.9
81.03433	2.0
81.07059	5.4
83.08641	1.6
85.02904	7.1
85.10213	0.9
91.03961	3.6
91.05510	1.6
93.07068	2.2
95.08611	3.3
97.02900	7.0
97.06548	0.8
97.10212	0.9
99.04478	0.6
101.02408	1.6
105.07068	1.9
107.08649	1.9
109.02917	1.0
109.10194	1.1
113.12504	0.5
115.03992	0.8
119.08629	1.7
121.10207	1.0
123.11780	0.8
127.03936	0.6
133.10129	0.8
135.11688	0.7
145.04956	0.8
145.10226	0.7
147.11723	0.7
163.11279	0.6
178.06082	0.6
185.04266	1.1
203.05365	1.1
243.08315	2.9
253.06480	0.5
313.27603	1.0
333.20587	2.2
335.25787	0.9
347.09497	2.9
363.08911	0.7
365.10977	0.7
405.13654	8.2
423.20090	0.7
497.30792	5.8
551.28461	3.8
552.28577	0.9
610.46411	0.5
659.36090	9.1
660.36340	0.7
713.33173	4.8
807.52051	1.6
969.57538	100.0
970.57861	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	19.3
70.03700	0.7
71.01351	0.6
72.39516	0.8
73.66405	0.6
79.01881	0.8
81.03418	32.6
83.01332	1.1
85.02892	2.5
89.03894	0.8
90.19565	0.6
91.05474	1.6
97.02911	3.6
98.22582	1.7
99.04453	1.6
103.05436	0.8
105.03439	0.7
107.04945	1.0
109.00690	0.6
109.02885	17.2
117.03350	1.4
117.59846	0.7
119.04952	0.7
127.03910	6.4
131.04941	0.6
133.02846	2.1
135.04391	1.0
145.02870	1.4
147.04427	3.0
153.01855	4.3
157.02905	1.2
161.02318	2.2
161.62834	0.6
163.03874	7.4
165.01794	0.9
173.02370	3.3
175.03917	3.1
179.03363	2.1
185.02357	1.2
187.03856	5.7
189.01811	5.5
191.01805	0.9
191.03404	9.6
193.01352	1.4
201.01807	6.0
202.02472	0.7
203.03391	5.3
205.01227	0.8
207.02908	6.3
213.01888	4.0
215.03389	4.1
217.01361	8.6
218.01956	1.1
219.02892	11.0
220.03340	1.2
221.00812	2.4
221.04559	0.9
229.01323	6.3
230.02060	1.6
231.02875	19.7
231.05095	1.2
232.03023	0.7
235.02388	16.2
241.01318	3.2
245.00816	9.8
247.02379	15.0
248.02786	1.4
257.00809	10.6
258.01523	0.9
259.02386	32.1
260.02875	1.2
261.03818	0.9
263.01917	4.1
273.00308	8.8
274.00610	0.9
275.01859	17.5
276.02661	7.3
276.05518	0.9
277.03433	100.0
278.03726	4.7
285.00287	6.7
287.01804	0.9
291.01340	3.3
300.99997	2.9
303.01352	98.5
304.01654	4.4
305.02933	1.3
319.00909	5.7
321.02383	3.0
328.98984	0.8
331.00900	1.7
337.01877	29.9
338.02255	0.9
407.02560	1.5
429.04648	2.7
445.04019	1.5
463.05084	9.7
481.05945	1.3
765.05817	1.0
783.06714	62.0
784.07086	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	970.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99769	0.7
69.03430	19.3
70.42078	0.5
71.01338	1.1
72.08115	0.9
74.02452	0.4
79.01835	0.6
79.05426	0.7
81.03417	31.4
83.01315	1.1
85.02869	1.6
86.80614	0.5
87.04430	1.9
89.03908	0.6
91.05482	2.7
93.07021	1.7
94.93023	0.5
95.53103	0.5
97.00562	0.5
97.02911	3.7
99.04427	2.0
101.02367	0.5
103.05457	1.0
104.07078	2.0
105.03394	1.1
107.04955	1.1
109.02885	15.4
111.48834	0.5
113.93243	0.5
117.03351	1.4
118.04153	0.6
119.04910	1.6
121.05658	0.9
121.06506	14.7
122.06833	0.7
127.03922	7.9
129.49414	0.6
133.02829	2.1
135.04413	1.2
136.06119	0.9
137.05980	4.8
138.09148	3.8
143.03444	0.7
145.02838	1.9
146.03514	0.6
147.04419	3.5
148.06102	0.6
151.03879	0.9
153.01811	5.3
153.87346	0.5
154.08617	1.6
157.02840	1.5
161.02316	2.8
163.03897	6.7
165.01849	1.2
173.02312	3.7
175.03925	3.7
177.01834	0.6
179.03365	2.1
181.01332	0.9
185.02298	1.8
187.03932	4.6
189.01855	6.4
190.02623	0.5
191.03403	9.3
193.01300	1.7
193.04950	0.6
195.02959	0.6
201.01826	6.0
202.02524	0.6
203.03412	6.0
205.01288	0.6
207.02878	6.4
213.01790	3.8
215.03409	5.0
217.01347	9.8
218.01935	1.8
219.02881	12.3
221.00786	1.8
221.04359	0.9
229.01317	6.8
230.02080	0.8
231.02887	20.1
232.03236	1.1
235.02394	16.5
236.02792	0.7
241.01253	3.3
245.00827	8.8
246.01207	0.8
247.02370	13.8
248.02771	0.7
249.03909	0.8
257.00821	8.7
259.02386	32.3
260.02823	1.7
263.01892	5.1
266.40024	0.5
273.00333	9.0
274.01022	0.7
275.01852	18.9
276.02600	8.6
277.03430	100.0
278.03754	4.3
285.00299	6.8
287.01575	0.7
289.03412	1.2
291.01340	3.5
300.99875	4.7
303.01352	99.4
304.01724	4.2
305.02911	2.0
319.00821	5.9
321.02356	2.8
331.00888	0.8
337.01874	28.8
338.02139	1.3
407.02435	0.9
411.03366	0.8
429.04602	1.8
445.03937	1.7
447.05783	1.0
463.05078	10.2
481.06024	1.2
602.13611	0.6
677.89789	0.5
744.52338	0.6
764.01849	0.5
765.05566	1.0
783.06702	60.0
784.07056	7.8
925.50781	0.6
993.33484	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	970.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.0
71.04987	0.5
71.29179	0.5
75.68927	0.3
79.01836	2.6
79.05487	1.0
81.03416	4.7
85.02906	1.0
85.12020	0.3
85.50213	0.3
91.05473	1.2
93.07058	1.5
95.04983	0.4
96.45950	0.3
97.02876	2.6
101.26292	0.3
102.83470	0.3
103.05466	11.2
105.92281	0.3
107.01317	1.0
107.04982	1.8
109.02875	3.3
120.08104	100.0
121.06538	0.7
121.08453	4.5
125.02330	1.8
127.03912	3.7
129.03424	0.4
131.04913	3.1
132.05270	0.3
133.02899	0.5
143.03403	3.5
147.04384	0.5
148.97484	0.4
149.06039	1.7
150.40359	0.3
153.01826	72.5
153.02847	3.4
154.02142	1.6
157.02838	0.8
159.04485	0.4
163.03934	0.7
166.08636	33.5
167.08989	1.2
171.02888	6.3
175.03929	1.4
176.96983	1.5
187.03883	3.5
191.03442	1.1
201.01878	0.7
202.98499	1.3
203.03371	2.1
205.04907	0.7
207.02850	0.7
213.01807	2.7
215.03375	2.2
217.01311	1.2
219.02864	1.0
229.01343	1.4
231.02872	12.7
232.03220	0.5
233.04518	0.3
234.99080	0.7
235.02364	0.8
236.99023	0.8
237.99336	0.5
241.01263	1.8
245.00790	1.1
247.02403	2.0
255.00262	0.7
257.00888	1.6
259.02377	21.4
260.02740	1.2
261.04028	0.8
273.00278	0.9
275.01889	3.0
276.02585	1.4
277.03430	68.1
278.03879	3.3
279.04919	0.9
285.00220	1.4
291.00995	0.4
297.02658	0.5
297.06030	7.0
298.06497	0.5
303.01334	14.8
304.01614	0.5
305.02948	0.9
315.07080	1.1
319.00989	0.7
321.02505	2.7
323.02701	1.5
324.02710	0.3
328.99084	0.5
331.00775	1.8
334.22815	0.3
337.01730	2.5
349.01788	0.4
355.04526	0.9
383.04919	1.0
384.05020	0.5
385.04550	0.6
399.03476	1.4
403.67154	0.3
411.03378	0.7
429.04294	2.0
431.20532	0.3
432.51981	0.4
447.05850	0.3
449.07245	0.6
463.04922	0.9
467.08173	3.9
483.22678	0.4
514.11475	0.7
515.11035	0.4
529.64056	0.3
783.06879	4.5
784.06781	0.7
787.09149	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	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79538	2.8
69.03427	5.3
69.07080	18.6
71.04995	2.9
73.02901	6.1
79.05495	83.6
81.03413	5.3
81.07059	87.6
83.05000	3.7
83.08626	10.8
85.02895	16.8
91.03971	13.3
91.05482	89.0
93.07048	90.7
95.04986	9.8
95.08047	6.3
95.08617	71.9
97.02908	11.6
97.06564	7.4
97.10188	4.6
103.05509	3.6
105.07035	83.6
107.08603	45.5
109.06515	6.0
109.10151	31.1
111.08079	3.2
116.06276	3.0
117.07021	24.3
119.08593	64.3
121.06496	3.9
121.10139	36.4
123.11726	10.2
127.03857	5.8
129.05516	3.2
129.07005	11.4
131.08580	37.9
133.10130	55.1
135.11722	26.0
137.13316	3.2
141.07037	3.1
143.08575	16.4
145.04971	8.6
145.10126	35.7
147.11699	46.6
149.13210	17.8
152.66617	2.9
157.10139	15.2
159.11742	32.5
161.13287	32.0
163.06061	9.1
163.11205	4.4
163.14836	5.8
169.10120	4.7
171.11742	15.4
173.13254	16.8
175.14888	17.3
184.07254	3.2
185.13228	16.1
187.14853	7.6
187.82172	3.0
189.12672	3.3
199.14915	6.0
201.16435	5.0
213.16365	5.6
229.19534	6.2
231.21196	6.7
239.18045	4.6
241.19537	34.8
243.18141	3.3
257.19006	9.6
259.20584	86.0
260.20987	4.1
261.22183	14.2
303.01367	3.8
313.25269	3.8
315.23138	6.8
317.24670	3.6
333.24277	67.7
334.24573	4.9
335.25818	100.0
335.29697	6.5
336.26276	6.2
337.27530	5.9
359.78534	3.3
367.22641	3.9
519.42102	7.9
529.38623	3.8
593.45685	18.8
595.68854	3.5
611.46753	87.2
612.46997	7.1
635.47021	4.0
677.47992	3.7
701.47552	3.8
897.38898	3.5
970.55988	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	972.131
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	0.1
69.03427	0.3
69.23804	0.7
79.01857	6.4
80.02171	0.1
81.03419	1.8
87.00851	0.2
95.96136	0.1
97.02905	1.4
98.22646	0.2
107.01324	1.5
109.02887	1.8
109.03591	0.2
123.00793	0.4
125.02364	3.2
127.03932	1.7
131.04993	0.1
133.02815	0.1
137.02374	0.1
143.03407	6.6
144.03709	0.2
147.04416	0.2
153.01837	100.0
153.02901	6.2
154.02170	2.2
154.03386	0.2
159.04407	0.2
161.02400	0.1
163.03943	0.4
165.01903	0.1
167.58250	0.1
179.03419	0.1
181.01326	0.2
187.03931	0.2
189.01842	0.3
191.03464	0.5
201.01840	0.1
205.05011	0.3
207.02910	0.5
215.03403	0.1
217.01343	0.7
217.04887	0.1
219.02908	0.5
229.01326	0.2
231.02821	0.2
233.04468	1.0
235.02414	0.9
243.02895	0.2
245.00858	0.7
246.01080	0.1
247.02403	0.4
249.03900	0.1
257.00827	0.1
259.02246	0.1
261.03949	1.6
263.01941	0.3
273.00305	0.7
274.00830	0.1
275.01910	0.6
277.03430	0.4
279.05020	2.2
300.99817	0.2
303.01349	0.4
304.01578	0.3
305.02155	0.2
319.00790	0.4
329.14755	0.1
337.01892	3.4
338.02274	0.2
370.89594	0.1
403.02832	0.2
427.02582	0.1
445.04495	0.4
463.05042	0.2
547.91754	0.1
615.06128	0.6
624.38470	0.1
633.08087	0.1
753.97235	0.1
785.08295	7.9
786.08411	0.8
804.82483	0.1
916.86395	0.1
968.37024	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	972.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	10.1
71.04998	0.5
77.03929	0.4
79.05466	0.5
81.03423	21.9
82.03761	0.5
83.01340	0.5
85.02898	1.6
91.05482	0.9
97.02888	1.9
99.04456	1.4
101.02384	0.5
103.05457	1.3
107.04951	0.5
109.02887	14.2
117.03380	0.5
119.04948	1.0
125.02377	0.4
126.05493	0.4
127.03925	5.0
131.04953	0.9
135.04422	0.9
137.02368	0.8
145.02840	1.1
147.04398	3.4
149.02298	0.6
153.01842	5.2
153.02965	0.7
157.02858	1.5
159.04369	0.5
161.02394	0.4
163.03886	3.5
165.01851	2.0
172.33656	0.5
173.02354	1.3
175.03943	3.1
177.01874	1.8
179.03360	1.1
179.55280	0.5
185.02348	1.9
187.03917	4.5
189.01839	0.3
191.03413	11.5
192.03996	0.5
193.01335	3.0
193.04980	0.9
201.01855	3.9
202.02699	0.5
203.03415	11.6
204.03740	0.8
205.01271	2.5
207.02913	1.7
213.01851	2.8
215.03377	4.2
217.01393	1.1
219.02899	12.7
220.03258	0.4
221.00819	21.0
221.04356	1.2
222.01184	0.7
223.02362	1.2
225.92682	0.4
229.01314	5.3
229.03307	0.6
230.01878	0.8
231.02901	20.2
232.03186	1.7
233.00792	4.1
235.02371	1.4
237.03453	0.4
239.01918	5.5
241.01370	3.4
243.02760	0.4
245.00780	0.5
247.02400	14.0
248.02745	1.1
249.03938	1.5
257.00848	7.8
258.01315	0.8
259.02399	36.4
260.02771	3.0
261.03589	0.5
265.03436	0.8
271.02466	0.5
273.00363	0.5
275.01871	22.0
276.02588	6.8
277.03442	100.0
278.03769	5.7
279.03986	1.0
285.00333	4.7
286.00864	0.7
287.01932	0.4
289.03354	0.9
293.02954	2.3
303.01358	70.6
304.01697	5.3
305.02228	1.7
321.02408	9.8
322.02686	0.6
328.99496	0.5
331.00757	1.1
337.01971	1.4
338.02069	0.6
339.03467	13.4
340.03873	0.7
342.46158	0.4
343.64783	0.4
349.01508	0.4
357.05807	0.5
383.03787	0.5
409.03940	0.5
411.03561	0.8
419.06149	0.7
429.04462	3.3
447.05627	3.0
465.06589	4.2
483.07327	0.7
525.58575	0.4
767.07098	0.7
783.07166	0.7
784.06476	1.0
785.08252	43.0
786.08771	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	972.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71696	0.6
69.03435	9.2
69.64223	1.1
69.64622	1.0
71.01337	0.6
71.04967	0.6
79.01820	2.6
81.03423	23.3
83.01310	0.8
85.02883	2.8
91.05434	1.8
92.73012	0.5
97.02885	2.9
99.04405	1.7
103.05441	1.8
107.04977	0.6
109.02890	15.3
110.03251	0.7
117.03396	0.6
119.04930	1.0
119.84492	0.6
121.06481	1.1
125.02323	1.3
127.03937	7.3
131.04958	3.0
135.04404	1.3
137.02327	0.8
143.03381	2.6
145.02795	1.0
147.04417	6.7
151.38521	0.6
153.01836	26.0
153.02945	2.9
154.02118	1.2
157.02846	1.9
159.04356	2.3
161.02303	0.6
162.36102	0.5
163.03973	3.6
165.01810	2.6
173.02332	1.8
175.03891	8.6
177.01805	1.2
177.05424	1.8
179.03336	1.7
181.01395	0.5
185.02307	1.4
187.03937	5.1
189.01883	1.0
191.03395	7.7
193.01347	5.2
193.04967	2.2
201.01875	4.2
203.03406	18.2
204.03712	1.0
205.01329	1.5
205.04886	1.2
207.02879	1.9
208.85561	0.6
213.01855	3.2
215.03346	4.0
216.03873	0.7
217.01357	1.4
219.02888	12.6
221.00839	17.3
221.04329	6.8
229.01369	4.1
231.02888	27.5
232.03268	1.7
233.00827	1.9
233.04407	0.8
235.02339	2.4
236.02771	0.8
236.65649	0.6
239.01857	2.5
241.01289	3.6
245.00769	1.5
247.02403	14.8
248.02730	0.9
249.03932	4.5
257.00858	7.9
258.01337	0.8
259.02399	34.1
260.02747	2.2
261.03745	0.8
263.01907	0.8
265.03400	1.1
272.05457	0.6
273.00302	0.7
274.01028	0.6
275.01877	18.8
276.02646	6.1
277.03439	100.0
278.03802	7.1
278.49835	0.6
279.04044	2.2
285.00296	6.0
289.03250	1.0
293.02850	2.2
300.99686	0.6
303.01364	77.1
304.01703	7.4
305.02167	2.2
313.03458	0.7
319.00864	1.3
321.02460	13.1
322.02713	0.7
331.00955	0.7
337.02045	2.7
338.02274	1.3
339.03470	17.9
411.03854	0.8
419.06119	0.8
429.04468	2.3
447.05338	3.2
448.05673	0.6
463.05051	1.3
465.06586	3.8
483.07883	2.2
579.86066	0.7
637.53870	0.8
767.07422	0.8
783.07819	0.7
784.07202	1.0
785.08160	45.4
786.08429	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	972.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.2
79.01854	7.6
81.03417	5.5
82.03769	0.2
83.01318	0.2
85.02895	0.4
87.00841	0.2
97.02886	1.8
99.04442	0.3
107.01305	1.7
109.02892	3.5
110.03197	0.2
123.00809	0.8
125.02357	3.5
127.03027	0.4
127.03905	2.4
131.04881	0.4
133.02905	0.2
135.04362	0.3
143.03400	8.4
144.80487	0.2
145.02884	0.3
147.04413	0.8
153.01831	100.0
153.02910	6.8
154.02151	2.1
157.02820	0.3
159.04381	0.4
163.03889	1.4
165.01837	0.7
172.68811	0.2
173.02373	0.4
175.03922	1.0
177.01788	0.4
177.05368	0.4
179.03276	0.2
185.02362	0.4
187.03897	1.1
189.01871	0.7
189.05499	0.3
191.03415	2.2
193.01324	1.1
201.01826	0.8
203.03401	2.7
205.01282	0.5
205.04953	0.9
207.02895	0.7
213.01782	0.6
215.03439	1.1
217.01401	0.7
218.01962	0.3
219.02899	3.3
220.03339	0.3
221.00822	4.9
221.04355	0.3
229.01302	0.9
230.02112	0.3
231.02896	4.4
232.03262	0.3
233.00781	0.7
233.04388	0.9
235.02406	0.9
236.02588	0.4
239.01862	0.9
241.01367	0.5
243.02805	0.4
245.00844	0.8
247.02388	3.1
248.02777	0.3
257.00818	1.5
259.02390	6.7
260.02719	0.7
261.03952	2.8
263.01910	0.5
273.00281	0.8
275.01849	4.5
276.02509	1.4
277.03430	20.2
278.03784	2.1
279.04816	1.1
280.63937	0.2
285.00269	1.0
286.37332	0.2
291.01291	0.4
293.03137	0.5
296.78043	0.3
300.99930	0.5
303.01349	15.7
304.01627	1.8
305.02072	0.9
319.00705	1.3
321.02359	2.3
337.01828	4.3
338.02203	0.5
339.03467	2.0
429.04523	0.3
445.04050	0.3
447.05328	0.7
463.04977	1.2
465.06628	1.1
614.25873	0.2
615.05981	0.4
718.77271	0.2
784.06714	0.6
785.08002	10.5
786.08667	1.0
955.09656	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	973.498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.8
69.07080	0.7
71.01370	0.5
71.05009	1.0
73.02922	3.0
79.05504	2.4
81.03413	2.9
81.07063	3.3
83.05029	0.4
83.08647	0.9
85.02910	4.7
85.03443	0.3
85.06596	0.3
91.03967	2.8
91.05491	2.3
91.36687	0.3
93.07050	2.3
95.04990	1.3
95.08642	1.0
97.02884	3.7
97.06575	0.8
99.04497	0.9
101.02377	1.4
105.07025	1.6
107.05018	0.5
107.08621	1.6
108.01778	0.2
109.02914	0.6
109.06543	0.6
109.10179	0.3
111.08115	0.5
115.04040	0.3
117.07072	0.4
117.40727	0.3
119.08638	1.2
121.06535	0.7
121.10149	1.6
123.11665	0.3
127.03909	1.4
129.07060	0.6
131.08551	1.3
133.10187	0.9
135.08081	0.2
139.11295	0.3
139.98167	0.3
139.99281	0.3
145.10187	0.5
147.11710	1.5
149.09648	1.6
153.01889	1.1
157.10219	0.7
165.12791	0.4
170.58958	0.3
175.11284	0.5
183.06606	0.3
185.04272	0.8
193.12375	0.9
201.03804	0.4
203.05328	0.7
211.13446	0.3
225.14967	0.5
243.08406	2.3
267.16101	0.4
269.12497	0.3
275.20340	0.4
277.03595	0.3
278.03952	0.3
283.15182	2.0
284.15475	0.3
303.01505	0.3
333.20267	2.2
339.17969	1.0
347.09515	2.3
363.09271	1.0
365.10718	0.6
405.13687	7.4
405.18826	0.4
423.20206	0.5
441.21091	0.3
469.20523	0.5
481.20786	0.4
493.96259	0.3
501.23102	8.5
502.23434	0.7
551.28198	4.0
552.29071	0.4
568.11053	0.3
585.25275	0.7
602.08270	0.3
663.28369	8.9
664.28925	1.0
683.36884	0.4
713.33588	3.6
714.34424	0.6
735.30664	0.5
779.43347	0.4
791.36884	0.3
811.44690	1.0
845.41675	0.7
973.49750	100.0
974.50122	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	974.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39673	0.2
69.03437	0.8
79.01400	0.3
79.01852	4.9
81.03418	2.2
82.03757	0.4
83.35921	0.1
86.01723	0.2
91.05502	0.2
97.02895	1.6
99.04451	0.2
103.05482	0.4
107.01329	1.1
109.02881	2.0
111.04470	0.2
119.04959	0.2
122.66453	0.1
122.74085	0.1
123.00843	0.2
125.02330	2.7
127.03919	2.5
127.32330	0.2
128.15443	0.2
129.03275	0.2
131.04916	0.6
131.59894	0.1
138.09763	0.2
143.03401	5.9
144.03857	0.2
147.04401	0.5
153.01831	100.0
153.02852	5.1
154.02147	2.5
154.03250	0.2
157.02885	0.4
159.04388	0.4
163.03889	0.6
165.01884	0.3
165.39662	0.2
171.02849	1.6
173.02409	0.2
175.03911	0.8
177.05650	0.2
179.03406	0.2
181.01303	0.4
185.02350	0.5
187.03929	2.4
189.05457	0.2
191.03400	1.0
191.75012	0.2
192.03822	0.2
193.01550	0.2
197.00847	0.2
201.01871	0.5
202.02313	0.2
203.03438	1.6
205.01407	0.2
205.04938	0.7
207.02895	0.4
213.01907	1.4
213.03780	0.3
215.03345	1.7
217.04929	0.3
219.02954	0.8
220.03235	0.2
221.00792	0.7
222.01161	0.2
229.01352	0.5
230.01949	0.2
231.02888	7.5
232.03249	0.7
233.04463	1.1
235.02319	0.2
237.03989	0.5
241.01315	1.6
243.02736	0.3
247.02429	1.0
248.02722	0.3
257.00800	1.5
259.02383	12.6
260.02725	1.0
261.03986	1.7
275.01849	2.1
276.02420	0.7
277.03433	33.9
278.03760	2.5
279.04932	2.6
284.82236	0.2
285.00287	1.2
297.06110	1.7
303.01352	17.3
304.01697	1.3
305.02420	0.6
315.07162	0.2
321.02362	0.7
331.00745	0.4
339.03397	0.3
341.04099	0.2
367.04327	0.2
411.03278	0.2
428.95764	0.2
429.04562	0.7
449.07138	4.8
450.06958	0.2
467.08157	1.6
617.07294	0.2
619.09204	1.5
785.08276	0.2
786.07715	0.5
787.08612	1.8
939.10504	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	974.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.6
79.01853	6.9
80.02184	0.3
81.03422	1.6
87.00848	0.2
97.02892	1.4
98.22628	0.6
107.01326	1.6
109.02884	1.5
110.03266	0.1
112.06200	0.1
119.04945	0.2
121.02843	0.2
123.00837	0.2
125.02344	2.8
127.03921	3.8
128.04254	0.1
131.04936	0.4
137.02319	0.2
143.03403	7.6
144.03748	0.2
147.04448	0.4
153.01831	100.0
153.02904	6.6
154.02174	2.6
155.02286	0.4
159.04416	0.4
163.03906	0.5
165.01830	0.2
175.03889	0.3
177.05539	0.3
187.03896	0.2
189.05345	0.2
191.03453	0.8
193.01323	0.3
201.01924	0.2
203.03442	0.7
204.03659	0.2
205.01385	0.2
205.05035	0.3
215.03424	0.3
219.02896	1.4
221.00819	1.9
222.01175	0.3
222.04779	0.2
226.98543	0.2
229.70969	0.1
231.02847	0.8
232.03329	0.5
233.00812	0.6
233.04494	0.8
239.01907	0.5
245.00552	0.1
247.02333	1.2
248.02591	0.2
249.03903	0.3
257.00757	0.2
259.02377	0.9
260.02798	0.3
261.03964	2.2
267.44617	0.1
275.01855	1.9
276.02304	0.4
277.03476	2.2
278.03882	1.1
279.05035	2.1
293.03030	0.4
303.01355	2.3
304.01620	1.0
305.01868	0.5
308.90894	0.1
319.00992	0.2
321.02429	2.3
339.03452	2.5
340.03848	0.3
447.05405	0.6
449.06955	0.5
465.06473	0.4
670.76123	0.2
785.07184	0.2
786.07928	0.4
787.09271	1.0
957.10907	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	974.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.1
70.41058	0.6
79.01860	5.5
81.03416	2.6
82.03759	0.3
85.02879	0.2
91.05492	0.3
96.31763	0.2
97.02892	2.4
103.05473	0.6
106.64159	0.2
107.01312	1.3
109.02891	2.8
115.02755	0.2
121.06497	0.4
123.00818	0.3
125.02360	3.5
127.03933	3.4
128.04343	0.3
129.03331	0.2
131.04948	0.7
141.87964	0.2
143.03406	6.9
145.02870	0.2
147.04434	0.7
150.29193	0.2
153.01837	100.0
153.02905	6.2
154.02176	2.2
157.02850	0.6
159.04445	0.9
163.03932	1.0
166.58517	0.2
171.02875	1.6
173.02348	0.6
175.03923	1.0
177.05475	0.5
185.02350	0.8
187.03903	2.5
189.01895	0.3
191.03467	1.3
195.03134	0.2
201.01839	0.9
203.03444	2.3
204.03687	0.4
205.05042	0.6
207.02896	0.4
213.01857	1.4
214.02184	0.3
215.03342	2.0
217.01385	0.3
219.02904	1.1
220.03308	0.4
221.00954	1.3
221.02904	0.2
222.01196	0.6
229.01357	0.9
230.01657	0.3
231.02893	9.8
232.03221	1.1
233.04514	1.2
237.03981	0.4
241.01266	1.8
245.00842	0.3
247.02390	1.8
248.02802	0.4
249.03757	0.3
257.00903	2.2
258.01291	0.3
259.02405	14.8
260.02783	1.6
261.04016	2.2
275.01837	3.3
276.02429	1.2
277.03439	36.0
278.01019	0.4
278.03802	3.7
279.04935	2.8
285.00372	2.2
289.03455	0.3
297.06058	1.6
303.01355	25.1
304.01740	2.9
305.01959	1.2
319.00836	0.3
321.02359	0.9
322.02826	0.4
331.00659	0.4
339.03494	0.6
340.03891	0.5
355.04483	0.2
429.04453	1.3
449.07162	4.2
467.08243	1.3
619.09045	1.1
786.07916	0.7
787.08899	3.0
939.10339	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	974.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.1
71.05012	0.3
73.02927	0.2
81.03418	0.7
85.02905	3.8
87.04511	0.1
90.44641	0.1
91.03961	0.1
91.82417	0.1
95.02345	0.1
97.02891	1.6
99.04482	0.2
109.02890	0.5
115.03943	0.1
127.03954	0.7
145.02905	0.1
145.04945	0.8
153.01857	0.3
173.02464	0.2
189.01941	0.2
190.02580	0.2
201.01805	0.4
215.03423	0.2
217.05006	0.2
218.02112	0.3
227.03407	0.2
229.01331	0.4
231.02795	0.2
243.02927	1.1
245.04388	0.2
246.01656	0.8
255.03041	0.1
257.00815	7.7
258.01382	0.5
261.03802	0.2
271.02350	0.9
273.03973	0.5
274.01065	0.4
283.99432	0.1
285.00302	9.3
286.00974	1.0
289.03375	0.6
290.04355	0.1
299.01788	1.1
300.02457	0.3
302.00574	15.8
303.01019	0.7
317.02911	100.0
318.03247	4.5
333.06250	0.1
359.03772	0.1
453.50229	0.2
479.08224	10.7
480.08469	0.5
491.25650	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	974.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.1
70.50919	0.3
73.02909	0.2
75.02399	0.1
77.65808	0.1
81.03412	0.9
85.02909	2.5
91.05485	16.7
92.05816	0.4
95.04973	0.3
97.02895	0.5
99.00819	0.5
99.04446	0.2
107.04975	0.3
109.02880	2.3
109.06651	0.1
109.60831	0.1
111.04449	0.2
117.01839	0.1
119.04947	29.7
120.05270	0.9
121.02904	0.1
121.06499	0.2
123.04457	0.2
125.05920	0.1
127.03911	2.1
131.04927	0.1
133.06467	0.1
137.06001	0.3
141.06979	0.1
145.02815	0.2
145.04951	0.8
147.04414	100.0
148.04753	2.8
151.03873	0.3
153.05440	0.2
159.02725	0.1
161.06000	0.2
165.05539	0.3
177.05481	0.6
179.03410	0.2
181.04967	0.3
181.06447	0.2
183.08073	0.2
189.05473	0.2
191.07062	0.3
201.05489	0.1
211.07545	0.3
217.04996	0.2
225.04030	0.1
228.07880	0.1
229.08653	0.6
235.07579	0.2
242.09338	0.4
243.05054	1.0
243.10182	1.3
255.06494	0.3
261.06079	0.5
262.06454	0.1
263.06985	0.4
267.10049	0.2
269.49954	0.1
273.07574	1.0
277.08716	0.1
281.08112	0.1
282.21506	0.1
291.08585	0.2
293.08051	0.2
294.08508	0.1
295.09625	0.6
309.09625	0.3
323.09167	0.9
325.10550	0.1
337.10532	0.2
341.10181	0.3
344.21225	0.1
353.10422	0.1
399.06952	0.1
407.09683	1.2
485.14056	0.2
490.18552	0.1
515.11682	0.1
649.19263	0.5
715.17883	0.4
907.68628	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	974.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.6
81.03429	1.5
85.02910	1.2
91.05487	16.1
92.05824	0.6
96.33146	0.2
97.02916	1.0
97.32235	0.2
98.22560	0.4
99.00850	0.3
103.05491	0.2
107.04969	0.7
109.02879	4.2
111.04404	0.2
117.03416	0.3
119.04949	29.1
120.05262	1.3
121.02901	0.4
121.06526	0.5
127.03937	2.0
131.04955	0.3
137.05981	0.6
145.02867	0.2
145.04944	0.3
147.04414	100.0
148.04741	4.8
151.03867	0.4
152.53683	0.2
159.04160	0.2
161.05930	0.3
165.05501	0.2
167.07100	0.2
177.05457	0.8
181.05028	0.2
189.05505	0.2
191.07045	0.2
198.69980	0.2
199.07526	0.2
201.05516	0.2
207.02870	0.4
207.06465	0.4
211.07590	0.3
212.08037	0.2
217.04883	0.6
225.03937	0.3
227.07141	0.4
229.08566	0.4
241.08603	0.2
242.09311	1.5
243.04977	0.3
243.10042	0.4
245.08058	0.7
255.06555	0.3
255.10208	0.2
267.10071	0.4
273.07562	1.4
274.07687	0.2
291.08649	0.3
293.07913	0.6
294.08609	0.3
295.09537	1.0
311.08829	0.3
323.09241	0.9
337.11093	0.2
351.07068	0.8
351.12296	0.7
403.11441	0.3
407.10040	0.2
419.11185	1.0
449.12207	0.3
515.11658	0.8
588.46289	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	975.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
72.42869	0.6
74.53748	0.7
82.51884	0.7
221.82564	0.6
322.42477	0.7
599.99780	0.7
697.32104	2.5
975.54437	100.0
976.54449	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	975.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.6
69.07063	1.3
69.58907	3.1
73.02921	2.5
79.05505	2.4
81.03433	1.4
81.07069	2.5
85.02908	4.7
89.69314	0.6
91.03973	3.1
91.05494	2.3
93.07068	2.2
95.08633	0.8
97.02912	3.7
101.02383	1.4
105.07053	0.7
109.10221	1.2
117.34341	0.6
119.08586	1.0
121.10181	0.7
127.03946	1.0
131.08568	0.8
135.24925	0.6
165.55467	0.6
185.04230	0.9
230.25392	0.6
243.08466	1.8
276.12201	0.7
276.73996	0.5
323.37787	0.8
347.09625	3.4
405.13651	4.2
519.29462	3.1
535.28821	1.9
554.87134	0.7
681.34790	6.0
697.34009	3.9
967.94666	0.7
975.56476	100.0
976.56921	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	976.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03079	0.3
69.03431	3.7
71.04991	0.8
71.45168	0.3
77.03951	0.3
79.01842	0.8
79.30646	0.2
81.03419	10.0
83.01320	0.3
85.02891	0.8
89.51139	0.3
91.05467	0.7
93.03371	0.3
95.01326	2.3
97.02878	1.0
98.23447	0.6
99.04443	1.2
101.02404	0.3
103.05466	0.8
107.01295	0.4
109.02882	5.8
111.00799	0.3
113.02365	0.6
119.01292	1.0
119.04943	0.5
121.02827	0.7
123.00771	0.8
125.02322	0.7
127.03927	4.1
129.03375	0.6
131.04938	1.0
133.02850	0.4
137.02348	0.9
141.01820	0.6
143.03360	0.3
145.02831	0.5
145.04953	1.1
147.00810	0.3
147.04419	1.5
149.02335	0.5
151.00262	1.0
153.01831	2.0
154.02144	0.5
157.02856	1.8
159.04390	0.3
161.02309	0.4
163.03893	0.8
165.01860	3.7
167.03423	1.5
169.01332	0.5
173.02344	1.3
175.03918	2.3
176.04265	0.3
177.01833	0.9
178.02571	0.3
182.99265	0.3
183.02762	0.4
185.02328	1.9
187.03902	5.5
189.01842	0.7
191.03375	1.8
193.01331	5.5
195.02878	0.7
201.01830	2.9
202.02699	0.3
203.03406	5.3
204.03706	0.3
205.01315	0.5
207.02954	0.6
211.02425	0.6
213.01839	4.5
215.03407	4.2
217.01332	1.2
218.02182	0.4
219.02904	1.7
221.00816	36.7
222.01076	1.4
227.03394	0.3
229.01302	3.3
230.01947	0.7
231.02890	24.1
232.03336	0.8
235.02249	0.5
239.01819	2.2
241.01315	4.6
245.00644	0.5
245.04462	0.3
246.01422	0.3
247.02388	6.3
257.00784	5.3
257.03082	0.5
258.01340	0.3
259.02393	38.7
260.02740	1.7
263.02078	1.2
273.00336	1.1
274.01047	0.4
275.01859	7.6
276.02542	1.7
277.03433	100.0
278.03781	4.3
285.00391	3.4
285.03641	0.6
287.01932	0.8
289.03387	0.5
300.99792	0.8
301.03275	0.3
302.00555	1.1
303.01355	68.4
304.01724	2.9
313.03427	0.6
315.01401	1.2
317.64206	0.2
319.00958	0.3
321.02365	3.1
323.02197	0.4
328.99319	1.8
337.03348	0.3
341.02927	0.6
343.04514	0.3
345.02365	0.5
347.03955	0.5
355.04398	0.3
359.03827	0.4
361.71027	0.3
365.05194	1.4
367.04385	0.6
369.02417	0.6
383.04288	0.5
385.05539	1.0
393.02399	0.4
401.04916	0.5
403.02765	0.4
411.03409	2.5
429.04550	1.5
431.02405	0.8
445.04187	0.3
447.05618	2.9
448.05283	0.3
449.03494	1.3
459.02002	2.8
463.05194	0.6
465.06592	0.3
477.03033	6.0
478.03131	0.6
495.03784	1.1
537.05194	0.5
557.05737	0.4
575.06824	0.5
593.07446	0.9
603.05609	1.5
621.07184	4.1
622.07269	0.5
639.08337	2.6
685.06641	1.5
767.06757	0.5
895.09155	0.3
923.07904	1.5
924.07922	0.4
941.08826	2.0
942.08868	0.5
959.09589	0.8
960.09210	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	977.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03029	1.0
70.77202	1.0
81.93858	0.9
98.22631	2.2
101.11431	1.1
104.95074	1.1
127.56197	1.1
140.70496	1.1
164.44327	1.0
280.26212	1.2
697.31909	1.8
977.55847	100.0
978.56006	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
85.27666	0.2
89.03852	0.2
91.05373	2.7
100.31095	0.2
117.03305	0.2
119.04942	5.0
133.25215	0.2
134.76752	0.2
145.02702	0.2
147.04413	17.2
147.05489	0.6
148.04742	1.0
149.02097	1.1
149.04858	0.3
150.05121	0.2
151.78259	0.2
169.02615	8.0
177.05473	0.3
178.05624	0.2
182.93231	0.2
187.03670	8.5
188.04013	0.2
204.53009	0.2
205.04633	0.3
232.03593	0.2
241.04602	0.3
259.05692	0.6
313.06808	6.0
314.07043	0.2
331.07922	1.9
333.07178	0.8
405.09430	1.2
435.02060	0.2
459.10486	0.8
477.11481	1.4
495.12589	1.8
623.15186	1.5
641.16248	53.4
642.16486	3.5
671.18561	0.2
979.26245	100.0
980.26593	12.0
1004.77655	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	980.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	4.1
69.07073	20.3
71.04996	3.9
71.08634	26.1
73.02921	3.4
79.05495	46.6
81.03421	12.3
81.07055	76.2
81.07529	3.9
83.04980	14.6
83.08616	27.6
85.02892	10.5
85.06551	2.4
85.10201	12.2
91.03966	3.3
91.05479	31.0
93.07045	34.3
94.04191	1.7
95.01501	1.7
95.04964	20.5
95.08613	35.1
97.02914	6.0
97.06548	8.4
97.10173	30.5
98.22537	2.7
99.08079	2.7
105.07034	25.3
107.04978	11.3
107.08587	24.5
109.06551	9.5
109.10156	15.6
111.04454	12.9
111.08102	6.1
117.07021	17.1
119.08567	28.1
121.06496	8.6
121.10147	11.4
123.08075	27.4
123.11724	3.3
125.09622	21.0
127.04002	1.9
128.06229	3.6
129.07001	5.5
131.08566	10.5
133.06497	3.9
133.10127	8.3
135.08052	7.2
135.11687	11.0
137.09631	3.4
139.11223	3.6
143.08543	4.3
144.05811	2.0
145.06482	2.8
145.10118	16.9
147.08040	10.6
147.11729	6.4
149.09593	8.7
153.09128	4.3
153.12801	4.0
157.10110	3.5
159.11720	3.4
161.09631	8.3
163.11174	18.3
165.09134	5.9
171.11665	4.6
173.09679	5.0
175.11195	4.8
177.12685	2.2
181.12178	8.8
189.11238	16.9
189.12718	3.4
191.10675	5.1
193.12320	5.1
211.30334	1.7
223.13351	4.6
227.12772	21.8
227.17862	2.4
239.23729	3.3
245.19095	4.3
255.17429	3.6
263.20010	2.4
273.18475	36.2
283.15475	3.5
291.19540	93.9
292.19897	2.7
309.20673	20.4
313.27347	100.0
314.27692	6.5
347.22086	12.1
365.23251	51.5
366.23779	3.0
383.24261	33.0
483.37064	2.6
539.39087	3.5
585.45093	5.5
603.36224	4.0
603.46161	73.3
604.46320	5.3
621.47223	68.8
622.47607	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	982.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98672	10.3
69.03468	1.5
69.07071	14.5
71.04988	1.8
75.62252	1.2
79.05496	19.0
81.03425	5.0
81.07063	27.9
82.02329	1.3
83.04986	3.0
83.08619	4.7
91.05483	29.8
93.07042	18.0
95.01330	5.8
95.04988	5.9
95.08611	14.3
97.06536	30.3
97.07141	1.8
97.10182	1.8
98.23360	3.3
98.76967	1.2
103.05511	1.5
104.20694	1.1
105.07035	38.3
106.83314	1.3
107.04963	10.0
107.08569	7.7
109.06529	4.5
109.10159	4.8
115.05392	1.7
117.07014	7.7
119.08580	18.5
121.06503	2.4
121.10176	3.5
123.04448	1.2
123.08047	2.5
123.11674	2.0
125.09592	1.7
129.07014	1.9
131.08575	10.5
133.10141	21.0
135.08072	1.4
135.11690	4.4
137.09621	2.3
139.07582	1.3
143.08536	3.1
145.06570	1.4
145.10130	8.2
147.11699	8.4
149.09645	4.6
149.13240	2.0
157.10056	1.4
159.11719	5.6
161.13318	3.3
163.11211	3.0
173.13301	2.4
177.12715	2.5
179.10597	1.3
179.14307	6.3
183.11737	1.3
247.20589	3.0
257.19019	3.4
275.20084	57.6
276.20432	3.1
293.21115	3.5
331.16266	1.3
331.22501	1.8
333.03247	1.2
349.23773	38.6
350.23953	3.1
354.81598	1.1
501.23022	1.4
611.42694	1.3
623.43079	100.0
624.43475	10.2
641.43896	3.7
732.94403	1.4
982.50098	1.9
983.55164	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	984.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.6
69.03432	11.5
69.18645	0.3
69.23721	0.4
69.24129	1.4
71.01337	0.4
71.04993	0.6
72.03332	0.2
77.03973	0.4
79.05482	0.4
81.03419	23.5
82.03748	0.5
82.53887	0.3
83.01326	0.8
85.02888	1.3
89.03902	0.6
91.05459	0.7
97.02874	2.2
99.04445	1.2
101.02363	0.2
103.05453	1.0
105.03404	0.4
107.04943	0.6
109.02882	12.5
111.04488	0.4
117.03350	0.8
119.04946	0.7
123.04411	0.3
125.02360	0.5
127.03911	4.0
129.03375	0.7
131.04884	0.9
133.02855	1.8
135.04410	0.7
137.02367	0.3
145.02837	1.0
146.03610	0.3
147.04411	1.8
151.03920	0.6
153.01828	2.8
157.02791	1.4
159.04411	0.9
161.02345	2.3
163.03923	4.9
165.01825	0.6
173.02333	2.6
174.03229	0.3
175.03905	2.7
177.01880	0.3
179.03415	1.7
183.00696	0.4
185.02379	1.9
187.03911	4.8
188.04404	0.3
189.01834	6.4
190.02684	0.6
191.03384	6.1
193.01352	0.6
193.05035	0.4
199.03986	0.3
201.01826	5.5
202.02560	0.8
203.03377	4.1
205.05006	0.5
207.02872	3.9
213.01845	3.6
215.03383	3.7
217.01323	12.3
218.02077	3.3
219.02888	6.9
221.00847	1.3
221.04385	1.4
229.01331	5.1
229.04947	0.3
230.02034	0.9
231.02878	20.9
232.03281	1.0
233.04399	1.2
234.01645	0.6
235.02368	11.8
236.02875	0.6
241.01288	4.0
245.00832	9.3
246.01482	0.8
247.02394	8.8
248.02899	0.5
249.00275	0.3
249.03906	3.0
253.03345	0.7
256.98099	0.6
257.00827	8.7
258.01422	0.8
259.02383	34.5
260.02731	1.6
261.04013	1.7
262.01212	1.4
263.01865	6.0
264.02316	0.3
269.04599	0.5
271.02438	0.4
273.00314	11.5
274.00931	1.5
275.01865	14.7
276.02612	7.3
277.03427	100.0
278.03763	3.6
281.04593	0.4
284.97488	0.2
285.00296	6.3
286.00934	0.4
287.02045	1.5
289.03403	1.6
291.01361	4.4
300.99835	3.9
302.00424	0.9
303.01346	90.0
304.01709	3.7
305.02911	3.9
315.01224	0.8
315.04730	0.4
319.00824	6.1
321.02411	2.8
323.03967	1.1
328.99283	1.0
331.00848	1.5
333.02399	3.7
335.03989	0.4
337.01974	0.7
339.05017	0.4
343.04657	0.4
349.02176	0.4
351.03455	25.1
352.03778	1.2
355.04391	0.3
389.05084	0.4
397.91177	0.4
411.03540	1.0
417.04227	0.6
421.04037	0.8
429.04449	3.4
445.03888	1.3
447.05362	1.3
449.07178	0.5
459.05685	0.7
463.05212	1.0
477.06656	6.9
478.06927	0.5
495.07605	0.9
765.04919	0.8
779.06903	0.6
797.08264	34.9
798.08643	4.2
839.37537	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	984.131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	11.7
69.75756	1.4
69.76154	1.0
71.04984	0.7
72.39526	0.8
73.43621	0.5
81.03417	22.3
85.02888	3.2
89.03912	0.9
91.05465	0.8
97.02867	2.2
98.22635	0.7
99.04427	1.2
103.05445	1.0
105.03337	0.6
109.02883	13.6
117.03317	0.6
127.03909	4.4
133.02829	1.2
135.12981	0.6
145.02821	0.7
147.04410	1.1
153.01833	4.1
157.02922	0.8
159.04332	0.6
161.02289	2.7
163.03893	5.1
173.02350	1.4
175.03874	2.6
179.03375	1.9
185.02345	1.6
187.03934	3.7
189.01828	4.0
190.02631	1.6
191.03400	4.3
201.01849	4.5
203.03418	4.6
207.02905	5.0
213.01772	4.1
215.03342	4.3
217.01335	6.7
218.02127	6.2
219.02858	6.7
221.00807	1.6
221.04471	0.6
228.54175	0.6
229.01324	5.1
230.01875	0.8
231.02881	19.3
232.03506	0.8
233.04439	1.1
235.02362	11.5
239.01874	2.0
241.01318	2.9
243.02815	0.8
243.99985	0.8
245.00800	5.3
247.02414	8.0
249.03917	1.1
257.00793	8.8
259.02390	31.8
260.02841	1.8
261.03976	2.6
262.01154	1.5
263.01889	3.0
271.02399	1.3
273.00336	6.6
274.01007	5.4
275.01840	15.2
276.02625	6.7
277.03433	100.0
278.03705	3.7
285.00327	5.2
287.01920	1.6
288.02631	1.6
289.03394	5.0
291.01349	2.4
300.99799	2.4
303.01349	97.1
304.01682	4.5
305.02936	3.9
315.01303	1.5
319.00967	6.0
321.02606	3.3
331.00754	1.6
333.02368	8.0
349.02008	0.6
351.03452	31.1
352.03772	1.6
421.03818	1.1
429.04581	3.2
445.04080	1.5
447.05542	0.7
459.05325	0.7
463.05090	0.9
477.06644	9.4
495.07474	1.1
651.39008	0.6
697.31812	0.7
765.05591	0.7
797.08301	42.7
798.08832	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	984.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	5.4
69.07074	12.3
71.04998	3.2
74.64257	1.1
75.69552	1.2
79.05499	36.4
81.03423	63.8
81.07062	54.6
83.04987	11.6
83.08629	21.9
85.02906	5.6
87.56750	1.2
91.05485	32.2
93.07050	26.6
95.04367	1.7
95.04977	31.7
95.08037	1.8
95.08595	12.3
97.02889	4.5
97.06532	7.8
97.10176	19.7
99.08097	2.5
101.09710	1.3
105.07033	24.2
107.04982	10.9
107.08596	16.9
109.06528	9.8
109.10166	9.8
111.04447	10.2
111.08082	8.3
115.05469	3.5
117.07023	10.7
119.04980	2.4
119.08593	24.9
120.87626	1.4
121.06507	10.7
121.10143	12.8
123.04403	2.4
123.08078	18.0
125.06048	1.4
125.09647	18.5
129.07019	10.3
131.04883	1.9
131.08580	16.4
133.06493	5.4
133.10150	12.3
135.08064	8.1
135.11687	7.8
135.23282	1.2
137.06026	1.7
137.09622	5.1
142.07797	3.8
143.08575	6.6
145.05142	1.2
145.06451	2.9
145.10130	12.5
147.08051	13.4
147.11687	7.9
149.09641	7.7
149.13170	1.2
153.09137	3.7
153.12770	4.6
155.08521	2.3
157.10138	11.7
159.08037	2.7
159.11742	3.5
161.09615	5.1
163.11191	14.9
165.09073	2.4
169.10062	2.2
171.10225	1.8
171.11702	3.7
173.09645	3.0
173.13217	1.7
175.11230	8.6
177.12802	2.3
181.12257	4.4
183.11707	2.1
185.13324	1.7
187.11237	2.6
189.11218	13.2
189.12679	1.8
191.10699	2.3
193.12274	22.7
211.13348	2.6
219.13869	7.5
223.13341	2.4
227.12694	9.3
229.14342	2.7
245.18988	3.1
249.14798	3.0
263.20343	1.6
267.15918	69.0
268.16159	2.9
273.18524	19.1
275.20132	1.5
283.15448	2.1
291.19543	39.3
292.20074	1.4
303.01303	2.1
309.17383	1.6
309.20599	7.3
313.21680	1.5
329.20959	2.2
347.22119	7.7
365.23288	21.5
383.24298	15.8
403.24695	2.8
407.24182	1.6
433.25650	2.4
447.28183	8.1
455.22839	1.2
459.27225	2.7
465.30365	7.0
475.26428	1.7
477.28568	2.9
483.31342	5.9
487.25949	1.4
493.27866	2.9
521.32404	1.6
530.48547	1.3
539.33960	18.7
540.33734	3.1
557.34747	100.0
558.34943	8.9
575.35815	61.2
576.35852	3.9
589.36963	1.8
599.35522	1.9
683.37341	2.3
824.83484	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	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	6.1
69.07087	18.6
71.04996	7.1
71.28008	3.8
79.05499	58.4
79.80312	3.0
80.64044	2.8
81.03448	6.3
81.07057	81.8
83.04993	9.5
83.08627	10.2
85.02910	7.3
85.06548	6.1
91.04972	5.3
91.05490	56.0
93.07047	55.3
95.04980	6.3
95.08615	39.8
97.02890	3.1
97.06517	5.6
105.07042	48.8
107.04974	5.5
107.08601	50.1
109.06544	9.4
109.10150	56.7
117.07008	9.4
119.08601	19.1
120.49303	3.3
121.06512	7.9
121.10137	23.0
123.08070	4.9
123.11701	10.0
129.06985	3.9
131.08586	20.7
133.10138	69.4
135.08084	7.4
135.11707	14.1
137.09636	4.7
137.13275	3.5
143.08537	6.7
145.10132	14.1
147.08102	3.9
147.11678	7.2
149.09601	9.6
149.13284	4.8
151.11191	29.3
159.11711	5.8
161.09619	7.7
161.13264	5.5
163.14845	6.2
175.11249	5.0
175.14841	3.7
179.10724	4.6
187.14653	3.7
187.34573	3.1
193.12328	3.3
209.82965	3.4
215.12769	3.6
243.21021	4.1
245.18980	6.1
251.12764	5.9
253.14363	100.0
253.17014	4.8
254.14746	4.8
261.22232	18.6
263.20108	6.8
271.15384	3.7
273.18488	29.6
291.19586	41.1
309.20544	3.8
335.25839	73.3
347.22150	12.8
349.23718	3.6
365.23166	35.7
513.35663	10.1
531.36810	20.1
543.75610	3.6
607.43402	5.9
625.35254	5.8
625.44678	88.6
626.44568	9.2
697.19397	3.4
743.37372	3.6
984.56024	4.5
985.54785	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	986.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99741	0.7
69.03431	9.3
69.48107	0.4
71.04955	0.7
77.03893	0.6
77.46056	0.4
79.01865	3.0
79.05444	1.4
81.03419	45.3
81.03857	1.6
83.01311	0.8
83.39080	0.5
85.02869	1.4
89.03885	1.3
91.05450	1.2
95.01348	0.6
95.45708	0.4
97.02887	2.9
99.04421	1.3
105.03343	1.0
107.01246	1.1
107.04900	1.6
109.02882	23.0
117.03348	1.1
119.04913	0.9
125.02323	1.2
127.03930	5.3
131.04858	0.5
133.02863	4.7
135.04362	1.8
137.02315	1.2
143.03406	2.7
145.02809	1.0
147.04424	2.5
151.03873	1.3
153.01836	32.2
153.02959	1.9
154.02133	1.0
157.02898	0.5
161.02333	6.0
163.03906	13.8
164.04150	0.6
165.01802	2.6
173.02307	3.0
175.03906	2.2
177.01782	1.6
179.03348	4.1
181.01300	1.4
187.03896	0.6
189.00177	0.6
189.01828	11.5
190.02496	0.7
191.03397	17.1
193.01324	3.4
194.02138	0.5
195.02846	1.1
201.00153	0.6
201.01851	5.9
203.03452	3.2
205.01253	1.3
207.02884	15.8
208.03389	0.5
209.04373	0.5
217.01328	22.7
218.01852	1.5
219.02892	22.4
219.06029	0.6
220.03223	1.3
221.00827	7.1
221.04263	0.9
229.01254	3.1
231.02885	4.8
233.00845	0.8
233.04312	0.6
235.02377	39.2
236.02913	1.1
239.01833	2.6
245.00816	21.7
246.01187	0.7
247.02377	18.9
248.03049	0.6
249.03856	1.1
253.03386	0.7
257.00760	3.0
259.02347	3.0
261.03967	1.9
263.01883	14.0
264.02170	0.5
265.03262	0.5
271.99518	1.0
273.00299	23.8
274.00827	1.9
274.98932	1.0
275.01880	18.2
276.02298	1.2
277.03421	6.2
291.01340	7.2
292.01675	0.7
300.99829	9.8
302.00220	0.8
303.01315	5.5
309.02451	0.6
319.00842	17.6
321.02249	1.4
333.02267	0.9
336.64334	0.6
337.01892	100.0
338.02292	4.2
339.03113	0.5
351.03513	1.0
445.04233	2.3
463.05176	3.4
763.04102	0.8
775.26746	0.6
780.92169	0.6
781.05298	6.3
782.05457	0.8
799.06226	96.4
800.06427	9.5
817.08881	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	986.108
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	0.2
69.03429	0.7
71.01357	0.1
71.04987	0.1
71.29406	0.2
72.98763	0.1
76.21556	0.2
76.40178	0.1
79.01855	8.0
79.05492	0.2
81.03422	4.4
82.63439	0.1
83.01304	0.1
91.05458	0.4
93.07057	0.1
95.01339	0.2
97.02895	1.7
97.07642	0.1
99.04410	0.1
103.05441	0.3
105.03379	0.3
107.01318	1.6
107.04964	0.4
109.02880	3.1
109.03579	0.2
111.04403	0.2
113.02335	0.1
117.03368	0.3
119.04929	0.2
121.06557	0.7
123.00843	0.3
125.02354	3.9
127.03917	7.5
131.04930	0.2
133.02863	1.0
133.06371	0.2
135.04420	0.5
137.02284	0.2
143.03403	8.2
145.02846	0.3
147.04414	0.4
151.03923	0.2
153.01833	100.0
153.02901	6.4
154.02133	1.6
159.04422	0.3
161.02356	1.2
162.03177	0.2
163.03909	2.8
165.01830	0.4
167.03387	1.2
171.02917	0.6
173.02341	0.6
175.03882	0.4
177.01782	0.3
177.05458	0.2
179.03366	1.0
181.01328	0.6
187.03926	0.2
189.01822	2.4
189.05487	0.2
190.02551	0.2
191.03386	3.2
193.01294	0.7
193.05019	0.1
195.02869	0.3
197.00655	0.2
201.01839	1.1
203.03426	0.6
205.01357	0.2
205.04953	0.6
207.02879	2.4
208.03207	0.2
209.04529	0.2
209.08119	0.2
215.03401	0.2
217.01324	4.0
217.04681	0.2
218.01967	0.5
219.02887	4.5
221.00832	1.0
221.04428	0.4
229.01288	0.7
231.02843	0.8
233.04446	1.1
235.02377	6.9
236.02914	0.3
239.01958	0.5
243.02927	0.2
245.00815	4.8
246.01567	0.2
247.02388	3.3
248.02800	0.1
249.03949	0.7
253.03352	0.3
257.00827	0.6
259.02432	0.5
261.03995	1.6
263.01880	2.3
273.00308	4.4
274.00909	0.3
275.01883	3.0
277.03436	1.3
279.05032	1.2
285.00397	0.2
287.02145	0.2
289.03259	0.2
291.01422	1.0
300.99817	1.4
302.00543	0.2
303.01349	1.2
304.01859	0.1
305.02881	1.0
319.00836	3.9
333.02350	1.5
336.03394	0.1
337.01892	17.1
338.02176	0.6
351.03476	4.3
352.03854	0.3
371.03958	0.2
399.03345	0.2
401.04861	0.1
417.04559	0.3
427.02914	0.4
431.06281	0.1
445.04077	1.1
459.05429	0.3
463.04898	0.5
477.06583	0.1
497.09256	0.2
503.04648	0.2
767.06635	0.5
781.05206	0.9
799.07532	6.5
800.07080	0.6
986.20813	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	986.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99757	1.0
69.03432	8.5
69.03780	0.5
69.24803	2.6
71.01342	0.6
71.04971	0.5
77.03921	0.6
77.30964	0.4
79.01820	1.0
79.05432	1.2
81.03422	45.7
81.03880	1.5
82.03723	0.9
83.04968	0.4
85.02856	1.2
89.03860	1.2
91.05439	1.3
95.01295	0.5
97.02922	2.0
97.03429	0.4
98.22614	0.6
99.04457	2.2
105.03336	1.3
107.04903	1.9
107.05542	0.4
109.02885	23.8
112.93565	0.4
117.03330	1.7
119.04890	0.5
123.04381	0.5
125.02322	0.5
126.82784	0.4
127.03921	4.8
133.02843	4.2
135.04449	2.2
137.02242	1.3
143.03395	0.6
145.02788	1.7
147.03532	0.4
147.04420	4.2
149.02231	0.6
151.03845	0.9
153.01828	7.2
157.02882	1.0
161.02359	5.5
163.03926	15.4
165.01849	2.7
173.02406	3.0
175.03922	2.2
177.01868	1.0
179.03384	5.4
181.01286	0.8
189.00175	0.8
189.01845	13.2
190.02431	0.9
191.03398	18.0
192.03833	0.5
193.01367	4.0
193.04836	0.7
195.02809	1.3
201.01840	5.0
203.03366	2.8
205.01285	1.1
205.05019	0.5
207.02896	15.8
209.00890	0.5
209.04430	0.7
212.98740	0.5
215.03468	0.4
217.01337	20.7
218.01929	1.7
219.02896	25.6
220.03145	0.5
221.00824	5.9
221.04422	1.8
221.38876	0.4
229.01306	2.6
229.05202	0.5
231.02841	3.5
235.02380	39.7
236.02750	1.3
239.01859	1.6
245.00827	24.0
245.04579	0.6
246.01299	0.9
247.02406	19.4
248.02657	0.8
249.00426	0.5
249.03908	0.9
257.00760	3.0
259.02328	1.0
263.01889	13.6
264.02386	0.6
265.03476	0.6
271.99606	0.9
273.00305	19.9
274.00882	2.1
275.01868	14.5
276.02081	0.6
277.03488	1.4
291.01340	6.9
293.03214	0.5
297.03903	0.4
300.99805	8.4
302.00314	1.0
303.01410	1.8
309.02496	0.9
310.14218	0.5
319.00851	16.2
320.01254	0.6
337.01904	100.0
338.02277	4.5
417.04715	0.6
427.03088	0.7
445.04065	2.3
463.05222	3.3
463.20462	0.4
469.31863	0.5
763.04132	0.9
781.05206	8.3
782.05194	0.5
799.06238	98.2
800.06561	11.4
817.07709	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	986.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	6.4
69.92309	0.4
81.03418	18.0
85.02877	1.3
95.01290	0.4
95.11461	0.4
97.02885	2.0
98.22531	0.7
99.04415	1.5
100.72407	0.4
103.05426	0.7
106.51534	0.4
109.02879	14.3
111.04379	0.5
115.03855	0.4
117.03355	0.7
119.04891	0.5
127.03931	3.8
129.03279	0.6
131.04874	0.7
133.02832	0.5
135.04378	0.6
138.02815	0.4
145.02786	1.3
147.04427	2.2
149.02246	0.7
151.00229	0.9
153.01845	2.5
157.02809	1.2
161.02361	0.7
163.03889	3.6
165.01820	1.4
173.02332	2.4
175.03926	2.7
177.01776	1.4
179.03404	1.1
181.01390	0.4
185.02313	1.1
187.03917	3.5
189.01904	0.8
190.02576	0.6
191.03392	9.3
191.68375	0.4
191.70094	0.4
193.01393	2.6
193.02803	0.5
199.05884	0.5
201.01826	3.9
202.02498	0.5
203.03401	7.8
205.01289	1.4
207.02917	2.4
213.01836	3.1
215.03384	3.7
217.01299	1.2
218.02115	2.2
218.04065	0.4
219.02884	10.9
220.03215	0.5
221.00815	13.6
221.04285	0.8
223.02287	0.8
229.01358	4.8
230.01907	0.9
231.02885	19.4
232.03177	0.6
233.00790	4.0
233.04475	1.0
235.02376	15.7
236.02617	1.0
238.01105	3.7
239.01836	4.2
241.01334	2.7
245.00786	0.9
247.02377	13.6
248.02809	0.8
249.03865	0.5
253.03433	14.5
257.00815	9.5
258.01529	0.6
259.02380	31.1
260.02792	1.7
261.03958	2.1
263.01727	0.8
271.02252	0.5
273.00357	0.8
274.00839	0.5
275.01855	20.7
276.02603	6.5
277.03430	100.0
278.03754	4.6
279.04559	0.6
285.00284	4.0
289.03421	4.3
293.02960	1.3
300.99933	0.6
303.01361	61.8
304.01617	4.2
305.02713	1.6
307.04495	3.5
315.01328	0.6
317.03003	1.2
321.02454	5.9
328.99319	0.7
331.00955	1.5
335.03979	6.3
337.01816	2.5
343.35126	0.5
349.01779	0.9
351.03583	0.7
353.05020	12.1
383.04102	0.4
385.05246	0.6
411.03482	1.0
419.06183	1.7
429.04587	3.6
433.07675	0.8
447.05573	3.4
461.07385	0.5
479.08130	2.9
496.66309	0.5
739.07056	0.8
767.06995	0.7
798.09399	0.6
799.09686	33.6
800.09662	3.9
965.10791	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	986.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	0.3
79.01854	7.4
80.02159	0.1
81.03426	1.6
86.54828	0.1
87.00805	0.2
97.02898	1.5
105.03381	0.1
107.01327	1.5
109.02887	1.0
119.05021	0.1
123.00806	0.3
123.04398	0.1
125.02347	3.2
127.03918	3.3
133.02901	0.2
135.04378	0.3
136.82118	0.1
139.03920	0.1
143.03403	7.7
145.02881	0.2
147.04454	0.2
153.01833	100.0
153.02893	5.9
154.02158	2.2
154.03386	0.2
157.04961	0.2
159.04460	0.3
161.02341	0.4
163.03893	0.8
165.01823	0.2
167.03407	1.6
173.02301	0.2
177.05461	0.2
179.03416	0.3
187.03810	0.2
189.01836	1.0
191.03392	1.0
201.01822	0.2
203.03375	0.3
205.04950	0.4
207.02931	0.7
215.03319	0.3
217.01332	1.5
218.02104	0.2
219.02917	1.3
221.00935	0.3
221.04480	0.2
229.01385	0.3
231.02875	0.3
233.04482	0.7
235.02356	2.2
243.02907	0.1
245.00787	1.7
247.02333	0.7
249.04027	0.4
253.03421	0.1
257.00836	0.2
261.03986	1.5
263.01819	0.9
269.03464	0.1
271.51886	0.1
273.00320	2.1
275.01895	0.7
277.03516	0.4
279.04974	1.4
291.01364	0.5
300.99844	0.6
301.02844	0.2
303.01349	0.3
305.02890	0.7
319.00839	2.0
333.02411	1.5
337.01868	3.0
338.02078	0.1
351.03461	5.7
352.03720	0.3
417.04709	0.2
427.02710	0.3
445.03946	0.4
459.05432	0.4
477.06369	0.2
485.03854	0.1
503.04706	0.2
504.04398	0.1
629.07776	0.2
746.44513	0.1
767.06708	0.5
781.06934	0.4
785.07874	0.2
799.09692	4.4
800.10443	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	986.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50620	4.5
69.03419	8.2
69.07071	17.5
69.74372	16.4
69.74704	4.8
71.04986	8.1
73.02905	5.0
79.05500	56.3
81.03418	100.0
81.03864	8.3
81.07064	70.1
83.04987	9.0
83.08617	31.6
84.62712	4.7
85.02911	11.0
85.06555	6.9
91.05479	58.2
93.07045	51.7
95.04968	42.1
95.08622	28.9
96.20770	4.1
97.02864	6.7
97.06532	17.8
97.10170	19.4
99.08080	6.9
105.07024	54.4
107.04936	11.3
107.08595	31.3
109.02882	10.8
109.06511	10.7
109.10165	36.5
111.08072	13.3
117.07004	20.3
119.04977	8.4
119.08599	35.3
121.06530	15.2
121.10127	26.5
123.08089	10.7
123.11726	8.1
125.09651	13.5
128.06274	5.4
129.06996	17.4
131.08571	31.8
133.06470	6.9
133.10109	30.4
135.08035	10.2
135.11711	9.7
137.09610	8.0
143.08574	11.2
145.06508	4.7
145.10118	13.3
147.08127	9.8
147.11739	21.9
149.09608	10.3
149.13226	7.8
153.01823	17.1
153.09074	6.6
157.10161	17.8
159.11572	9.8
163.03922	7.7
163.11150	11.6
171.11726	5.2
173.11833	7.6
173.13246	6.6
175.11247	12.1
185.13307	5.4
189.11273	5.5
191.03394	6.6
193.12265	27.6
217.01341	10.2
219.02975	12.2
227.12819	15.9
229.14352	31.8
235.02419	10.5
245.00842	5.2
247.02315	7.2
257.19092	7.0
259.26950	4.4
263.01779	5.2
267.15927	96.2
269.17480	15.9
273.00180	7.6
273.18427	6.7
275.20142	27.1
277.03467	7.2
293.21155	5.4
337.02002	34.4
341.25284	5.8
349.23660	19.6
351.23618	5.6
367.24805	20.5
369.24484	6.6
421.25818	26.6
443.27853	12.5
447.27597	7.7
461.29034	78.6
462.29135	10.0
493.31558	22.3
541.35278	75.3
559.36371	74.6
591.34839	6.4
625.31763	4.9
795.17657	5.3
799.06836	30.4
799.20099	6.8
800.07086	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	986.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07084	18.1
71.30975	4.8
79.05499	39.1
79.17256	2.9
81.03432	5.7
81.07067	51.0
83.05001	6.4
83.08621	17.6
85.02927	4.1
86.46961	3.9
86.68125	3.0
91.05496	22.8
93.07056	41.0
95.04978	35.3
95.08618	40.8
97.06523	4.7
97.10183	4.2
104.64407	2.8
105.07026	15.0
107.04986	9.6
107.08595	34.3
109.06513	5.8
109.10167	15.9
111.04451	4.7
111.08081	5.1
117.07021	6.1
119.08589	17.7
121.10139	17.7
123.08099	4.7
123.11726	4.3
125.09602	5.4
131.08582	9.7
131.83386	3.5
133.10127	13.5
133.38855	3.7
135.08076	3.4
135.11716	14.8
137.09689	3.1
145.10167	17.2
147.11665	6.0
149.09669	14.1
149.13374	3.6
159.11748	10.6
161.13242	5.4
163.11209	16.5
169.10260	4.2
173.13280	5.9
175.11240	3.2
175.14977	3.5
180.56984	2.9
223.13370	19.5
225.26984	3.4
227.13277	3.2
238.13171	3.5
247.16040	3.0
261.22220	6.1
275.20087	36.4
293.18219	4.2
293.21039	21.9
335.25836	100.0
336.26147	9.5
349.23804	12.2
350.24771	3.1
367.24921	32.9
368.25040	3.5
609.44775	21.6
627.46216	90.6
628.46240	9.6
933.11981	3.9
987.58539	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	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	26.4
70.35106	24.1
72.09843	7.2
79.05505	59.5
81.03423	10.0
81.07054	58.8
83.04971	8.5
83.08613	22.7
91.05507	50.2
93.07047	56.3
93.07542	8.7
95.04994	51.1
95.08595	44.8
97.10189	18.7
105.07030	35.2
107.08594	32.7
109.06587	8.8
109.10119	16.7
117.07024	13.1
119.08572	33.5
121.10162	26.1
123.08047	8.5
125.09608	9.0
131.08566	12.8
133.10132	12.7
134.94308	7.9
135.08040	12.6
135.11707	19.6
145.10121	18.1
149.09615	28.2
159.11659	14.1
163.11157	13.6
189.11256	11.3
195.57188	8.3
204.83875	7.6
223.13303	44.6
257.18994	14.4
261.21967	10.5
275.20026	66.3
293.21130	30.1
335.25793	90.4
349.23792	29.1
367.24847	55.1
467.50955	9.6
609.44861	19.5
627.46161	100.0
628.46228	14.2
769.97736	8.4
987.55389	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.9
69.07070	14.1
69.17443	4.5
71.04990	1.4
73.02946	1.1
79.05494	37.2
80.05814	0.9
81.03416	2.5
81.07056	70.2
82.07399	1.8
83.04987	3.5
83.08614	9.8
85.02904	5.7
85.06532	2.2
91.03981	2.7
91.05481	27.3
92.05807	1.3
93.07044	37.5
94.07369	1.2
95.04968	6.4
95.08608	33.4
97.02903	3.4
97.06516	4.4
97.10159	1.9
99.08081	1.5
105.04530	1.1
105.07033	22.7
107.04941	3.9
107.08592	20.5
109.06519	12.3
109.10152	13.2
111.08087	3.0
117.07017	6.7
119.08573	18.9
121.06502	3.1
121.10145	15.7
123.08068	5.3
123.11708	5.0
125.09650	0.8
129.06990	2.2
131.08563	11.3
133.10118	12.5
135.08073	2.9
135.11703	9.3
137.09641	2.1
137.13263	1.0
143.08562	1.8
145.04976	0.9
145.10104	8.9
147.08034	1.0
147.11674	12.3
149.09627	5.1
149.13271	6.5
151.11166	1.5
155.08562	0.8
157.10139	2.4
159.11694	5.7
161.09715	1.5
161.13258	3.9
163.06096	0.9
163.11253	3.9
163.14774	2.6
165.12775	2.3
169.10239	1.2
171.11697	1.8
173.13300	5.0
175.11142	2.4
175.14760	1.2
177.12665	2.0
179.14281	1.3
183.11610	1.7
185.13289	1.1
187.11185	1.1
187.14883	2.5
189.12653	0.9
193.12355	1.1
197.13272	1.0
199.14841	0.9
215.17900	1.0
229.19424	1.7
239.18065	1.2
243.21092	1.3
247.20590	2.0
257.19070	3.7
261.22205	5.7
267.16019	2.5
275.20053	31.1
276.20529	1.8
277.21484	1.5
293.21060	8.4
317.24661	2.0
335.25803	100.0
336.26105	7.2
349.23688	18.8
350.23953	1.9
367.24783	26.0
368.25113	2.5
529.39056	1.3
535.41351	1.9
553.42834	0.9
572.68842	0.9
609.45154	42.6
610.45465	7.0
627.46185	42.6
628.46356	7.9
897.50977	0.9
986.55603	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	986.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	7.5
69.07063	17.7
71.04974	4.7
79.05491	49.7
81.03436	5.6
81.07058	100.0
83.08624	13.9
85.02888	12.1
85.06572	5.5
91.03922	4.9
91.05479	33.7
93.07047	46.4
95.04956	13.8
95.08595	37.0
97.06543	6.8
97.19850	3.7
99.08079	5.2
100.99602	3.8
104.88029	3.9
105.07017	34.3
107.04935	8.0
107.08601	16.2
108.78398	3.9
109.06522	17.6
109.10156	11.5
111.08050	6.7
117.06985	10.8
119.08591	19.4
121.06537	5.6
121.10147	15.0
123.11653	6.7
131.08559	18.1
131.74821	3.8
133.10143	14.5
135.08107	4.2
135.11702	10.5
145.10097	12.6
147.11690	17.4
149.13284	4.6
159.11694	8.3
161.13277	6.6
204.50182	4.2
239.18068	4.5
247.20441	6.9
275.20145	47.6
293.21033	21.2
310.36151	3.9
335.25827	71.7
349.23758	20.8
367.24747	49.9
609.45050	43.7
627.46100	66.1
628.46179	6.9
632.74860	4.5
801.72894	5.0
986.57532	24.9
987.56732	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	988.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.5
69.03433	7.8
70.31947	0.8
70.32278	0.5
71.01351	0.5
79.01882	0.7
79.05505	0.8
81.03420	36.7
82.03750	0.5
83.01344	0.8
85.02927	0.5
89.03931	0.7
91.05491	0.5
95.01357	0.6
97.02898	1.8
99.04486	1.4
105.03446	0.5
107.04979	1.5
109.02883	23.0
110.03200	0.6
117.03397	0.9
119.04929	1.0
127.03919	4.0
130.45276	0.4
133.02902	1.9
135.04468	1.4
137.02393	1.1
141.01817	0.5
143.03439	0.7
145.02904	0.9
147.04396	4.5
149.02374	1.1
151.00256	0.5
151.03952	0.8
153.01826	8.6
153.02921	0.6
157.02896	1.1
159.04420	0.5
161.02403	1.8
163.03903	9.6
165.01842	3.4
173.02390	1.7
175.03932	2.9
177.01871	2.8
179.03377	2.8
181.01443	0.8
185.02415	0.6
187.03911	0.5
189.01799	4.6
189.32561	0.5
191.03400	22.2
192.03859	0.9
193.01329	6.9
193.04976	0.9
195.02943	0.8
201.01840	3.7
203.03384	7.6
203.05098	0.6
205.01297	2.7
207.02872	6.0
209.00919	0.6
209.04439	0.5
213.01904	0.7
215.03455	0.8
217.01326	8.9
217.03252	0.6
218.01814	0.8
219.02885	23.4
220.03323	0.8
221.00826	27.1
221.04489	2.2
222.01253	1.0
223.02377	2.0
229.01299	2.4
231.02896	8.8
232.03204	0.7
233.00812	7.9
235.02367	14.4
237.03984	0.7
239.01915	7.6
241.01364	0.5
245.00815	9.4
246.01244	0.6
247.02390	21.6
248.02623	1.0
249.03908	2.1
251.01910	1.1
253.03520	0.6
257.00742	3.9
259.02411	8.7
260.02728	0.9
261.04013	0.6
263.01895	5.4
265.03571	1.6
271.99603	0.5
273.00339	9.1
274.01056	0.9
275.01859	32.6
276.02237	2.1
277.03445	11.3
278.03937	1.9
279.04028	0.5
285.00381	1.2
289.03619	0.6
291.01361	3.4
293.02939	3.7
300.99808	4.0
302.00696	0.6
303.01355	12.7
304.01877	1.8
305.02048	0.7
319.00815	7.2
320.01254	0.5
321.02405	6.6
322.02948	0.4
337.01898	31.9
338.02182	2.1
339.03467	32.5
340.03827	1.1
445.04294	1.2
447.05707	0.8
463.05200	3.7
465.06641	1.3
534.78418	0.5
765.05322	1.0
772.06946	0.5
783.06787	6.0
784.06653	0.5
801.07745	100.0
801.95117	0.4
802.07947	10.9
940.01862	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	988.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	5.6
69.25618	1.3
69.26021	2.1
79.01879	0.9
79.05492	1.4
81.03420	42.8
85.02918	1.5
91.05499	1.3
95.05007	0.5
97.02914	1.5
99.04478	1.3
104.43835	0.5
105.03419	0.7
107.04987	1.3
108.04447	0.5
109.02882	23.7
110.03226	0.8
119.04961	1.0
120.66293	0.5
127.03921	4.4
128.31448	0.5
133.02867	2.6
135.04446	1.6
137.02391	1.1
143.03366	0.8
143.58366	0.5
145.02911	1.4
147.04401	5.6
147.05278	0.5
151.03934	1.1
153.01834	7.9
153.02951	0.5
157.02942	0.6
161.02338	2.7
163.03906	10.3
165.01845	3.6
167.71477	0.5
173.02382	1.3
175.03922	3.8
177.01854	3.0
179.03387	3.6
181.01379	1.0
185.02357	0.9
187.03944	0.8
189.01845	4.7
191.03400	21.3
193.01314	7.5
193.05089	1.7
195.02948	0.8
201.01805	4.1
203.03409	10.7
205.01254	3.3
207.02904	8.5
208.03362	0.7
209.04442	0.6
215.03387	1.3
216.02921	0.8
217.01329	7.4
217.03241	0.6
218.01924	0.5
219.02893	29.8
220.03273	1.1
221.00821	31.0
221.04483	1.7
222.01077	1.2
223.02516	2.0
229.01436	1.7
231.02870	8.4
233.00821	7.2
235.02365	18.4
236.02995	0.9
239.01831	8.8
245.00827	9.0
247.02380	22.0
248.02875	1.1
249.03954	2.1
257.00781	3.9
259.02402	8.9
260.02740	0.6
263.01920	5.3
265.03613	1.5
273.00302	9.0
275.01868	28.6
276.02417	1.5
277.03424	9.2
278.03854	1.1
285.00549	0.9
287.01993	0.6
291.01297	3.2
293.02942	4.0
300.99850	2.4
303.01346	12.8
303.04614	0.8
304.01721	1.0
318.02454	1.1
319.00894	5.6
321.02438	8.7
337.01904	40.9
338.02310	2.3
339.03458	25.4
340.03796	0.7
354.93848	0.5
383.03906	0.6
401.05313	0.6
425.55905	0.6
429.05078	0.6
445.04117	1.3
447.05673	1.0
463.05270	1.9
465.06680	3.8
514.80939	0.5
765.05432	0.7
783.06897	2.4
801.07764	100.0
802.07965	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	988.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99779	0.5
69.03426	2.1
69.10121	1.3
69.10548	1.8
71.04981	0.5
79.01859	8.2
79.05496	1.1
81.03420	13.9
82.03743	0.6
83.01329	1.4
89.03932	0.9
91.05474	1.5
95.01348	0.5
97.02900	3.9
98.05062	0.5
99.04453	1.9
103.05447	1.1
105.03379	0.6
107.01322	2.5
107.04961	1.5
108.04476	1.0
109.02884	15.3
111.04484	0.5
113.02376	0.5
117.03358	1.1
119.04924	1.3
120.20284	0.4
121.65913	0.5
123.00791	1.1
125.02349	4.7
127.03921	48.1
128.04256	1.0
131.04910	1.3
133.02856	2.4
135.04404	2.3
137.02283	0.6
139.03925	0.7
141.01945	0.4
143.03403	8.9
145.02885	1.1
147.04411	6.5
149.02388	0.7
151.03923	0.9
153.01836	100.0
153.02931	6.9
154.02180	2.7
157.02870	1.3
159.04417	1.1
161.02351	1.7
163.03917	11.7
165.01851	3.9
165.05449	1.2
171.02888	1.8
171.04300	0.5
173.02342	2.0
175.03882	5.0
177.01871	3.2
177.05486	0.6
179.03398	4.1
181.01343	2.7
181.04991	0.8
185.02293	0.9
187.03882	0.9
189.01801	4.0
190.02501	0.6
191.03398	28.6
192.03764	0.9
193.01328	6.3
193.04959	1.6
195.02843	1.1
201.01846	4.4
203.03377	11.5
205.01317	3.5
205.04916	0.9
207.02878	6.5
209.04620	0.6
209.08052	0.6
213.01872	1.1
215.03394	1.1
217.01346	5.7
218.01859	0.7
219.02899	30.4
220.03249	1.2
221.00819	30.1
221.04454	2.9
222.01152	1.3
223.02391	3.1
229.01340	2.0
231.02888	12.4
232.03236	0.7
233.00824	10.2
233.04309	0.5
235.02364	11.4
237.03946	1.3
239.01888	13.5
240.02263	0.6
241.01289	1.0
245.00795	5.4
247.02383	27.4
248.02740	1.1
249.03963	3.8
251.01796	0.8
257.00836	5.4
259.02380	12.5
261.04001	0.6
263.01917	3.1
265.03400	2.7
273.00284	6.4
274.00650	0.6
275.01862	47.3
276.02292	2.6
277.03424	13.2
278.03833	0.8
279.04947	0.5
285.00388	0.9
291.01328	2.2
293.02963	5.4
300.99814	3.3
303.01367	18.5
304.01770	1.0
319.00839	9.7
321.02417	14.1
322.02335	0.5
337.01904	21.3
338.01706	0.9
338.05075	1.5
339.03470	89.5
340.03635	3.4
350.34579	0.5
361.02130	0.5
379.02792	0.6
426.79315	0.5
427.02921	0.7
429.04340	1.2
445.04169	2.7
447.05609	2.8
463.05148	4.6
465.07010	2.2
765.05304	1.1
783.06665	6.7
784.06488	0.7
799.07410	0.6
801.07727	20.8
802.08270	2.0
935.05737	0.9
998.89703	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	988.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.5
69.34740	0.2
71.18301	0.3
79.01855	7.6
81.03418	2.5
89.03907	0.2
91.05514	0.2
95.01325	0.3
97.02880	1.9
98.54819	0.2
100.23050	0.2
107.01318	1.9
109.02875	1.5
121.06488	0.3
123.00822	0.2
125.02343	3.4
127.03918	10.7
128.04271	0.2
129.26869	0.2
131.04924	0.5
136.06126	0.4
143.03398	7.8
145.02820	0.2
147.04398	0.4
153.01830	100.0
153.02902	6.5
154.02141	1.8
159.04413	0.7
163.03903	1.3
165.01790	0.2
177.05479	0.9
179.03365	0.3
181.01447	0.2
187.03937	0.6
189.01779	0.2
189.05391	0.4
191.03424	1.6
193.01283	0.2
197.00894	0.2
201.01799	0.3
203.03407	0.4
205.04993	2.2
207.02910	0.4
215.03297	0.3
217.01346	0.6
217.04942	0.4
218.01915	0.2
219.02876	2.1
221.00800	2.0
231.02940	0.5
233.00801	0.7
233.04448	4.1
234.04919	0.2
235.02388	1.0
239.01926	0.8
243.02797	0.2
247.02339	1.6
257.00793	0.3
259.02255	0.3
261.03949	6.4
263.01990	0.3
273.00369	0.4
275.01874	2.1
277.03540	0.4
279.04889	1.7
285.00394	0.2
289.03424	0.4
293.02884	0.3
300.99701	0.2
303.01355	1.1
307.04388	0.2
319.00977	0.2
321.02338	0.4
335.03967	0.5
337.01901	1.2
338.02426	0.3
339.03262	0.9
353.05029	1.5
447.05185	0.2
461.07162	0.7
479.08096	0.5
626.88904	0.2
791.45233	0.2
801.09680	4.9
802.09595	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	988.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90401	0.1
68.99782	0.2
69.03420	0.5
69.35065	0.7
71.01385	0.1
71.05014	0.2
79.01858	7.7
80.02216	0.2
81.03415	2.4
81.58028	0.1
87.00827	0.2
88.06923	0.1
91.05494	0.2
97.02887	1.7
98.23311	0.3
103.05479	0.1
107.01311	1.5
107.04968	0.2
108.04502	0.2
109.02879	1.7
121.06513	0.2
123.00791	0.3
125.02357	3.4
127.03922	11.1
128.04260	0.1
128.85451	0.1
131.04913	0.4
133.02875	0.2
143.03404	7.2
147.04402	0.2
153.01836	100.0
153.02902	6.2
154.02164	1.8
154.03290	0.2
159.04482	0.8
163.03899	1.2
165.01801	0.2
173.02391	0.2
175.03880	0.2
177.01881	0.3
177.05466	0.7
179.03304	0.1
181.04944	0.2
187.03870	0.6
189.01843	0.2
189.05531	0.3
191.03423	1.5
193.01399	0.3
195.02986	0.1
197.00812	0.2
201.01933	0.2
203.03435	0.5
205.04961	2.0
207.02927	0.5
209.08076	0.1
209.95811	0.1
210.14046	0.1
215.03441	0.3
217.01340	0.2
217.05002	0.3
218.02129	0.3
219.02885	1.9
220.03293	0.2
221.00854	1.9
223.02460	0.2
230.82591	0.2
231.02895	0.7
233.00949	0.7
233.04443	4.8
234.04814	0.2
235.02428	1.3
239.01984	0.7
243.02946	0.2
245.00838	0.4
247.02356	1.4
253.03531	0.2
257.00827	0.4
259.02417	0.5
261.03958	6.5
262.04297	0.2
263.01804	0.2
273.00281	0.4
275.01874	2.2
276.02396	0.2
277.03394	0.5
279.05032	1.6
289.03461	0.5
293.02905	0.2
300.99924	0.2
303.01239	0.9
319.00986	0.3
320.01035	0.1
321.02292	0.3
335.04013	0.7
337.01889	1.5
338.02359	0.2
339.03369	0.7
353.05127	1.5
395.05920	0.2
461.07028	0.4
479.08023	0.4
612.45514	0.1
613.08423	0.2
631.08893	0.4
649.10101	0.3
801.09723	4.8
802.09985	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	990.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	3.8
71.05005	0.7
75.56352	0.4
75.68858	0.4
79.01876	1.7
79.05514	1.0
81.03419	39.7
82.03764	0.9
83.01375	0.5
83.74680	0.4
85.02923	0.8
89.03929	0.6
90.72668	0.4
91.05520	1.3
95.01359	0.5
97.02916	1.5
98.06067	0.4
98.22617	1.4
99.04480	1.4
102.26106	0.4
107.04973	0.8
108.04509	1.8
109.02881	24.9
113.02378	0.6
117.03409	0.7
119.01334	0.5
119.04961	1.2
121.02921	0.5
125.02392	1.1
126.05554	1.2
127.03917	5.4
131.04994	0.5
133.02901	1.1
135.04434	1.7
137.02388	1.6
141.01913	0.6
143.03410	0.8
145.02890	1.2
147.04407	7.6
149.02377	1.2
151.03954	0.8
153.01826	7.6
153.02943	0.8
157.02879	1.2
159.04451	1.1
163.03905	8.5
165.01830	4.6
165.05458	0.8
173.02419	1.5
175.00343	0.5
175.03897	5.4
177.01830	4.3
179.03467	1.6
181.01419	1.5
181.04877	1.0
183.02948	0.9
185.02460	0.8
187.03996	1.6
189.01897	0.6
190.02509	0.4
191.03395	23.3
192.03839	1.3
193.01312	8.7
193.04974	2.2
195.03003	1.3
201.01805	3.8
203.03395	19.7
203.05360	0.6
204.04021	0.7
205.01315	5.0
205.04932	0.7
207.02869	3.0
211.02396	0.6
213.01917	1.2
215.03450	1.4
217.01434	1.2
219.02890	29.9
220.03305	1.4
221.00816	51.6
221.04495	1.8
222.01205	1.7
223.02361	3.2
229.01349	2.0
231.02881	13.8
231.05081	0.8
232.03323	0.7
233.00815	11.2
233.04547	1.0
235.02451	1.8
237.03961	1.0
239.01871	13.1
239.04166	0.8
241.01408	0.7
247.02394	23.4
248.02939	1.3
249.04077	2.7
257.00812	4.8
259.02396	17.5
260.02789	0.9
261.04086	0.5
263.01868	0.6
265.03394	2.9
275.01852	38.0
276.02344	2.4
277.03436	18.6
278.03909	1.2
285.00421	1.9
293.02911	6.0
293.05899	0.5
294.03232	0.5
303.01349	22.5
304.01752	1.2
321.02399	14.2
322.02817	0.5
337.01852	0.9
338.02255	1.2
339.03461	33.6
340.04001	1.5
354.65991	0.5
364.10504	0.5
365.04959	0.5
401.05179	0.5
429.04715	1.0
447.05637	2.2
465.06674	4.8
785.08588	3.0
802.07733	1.2
803.09277	100.0
804.09650	11.1
977.81665	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	990.142
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	0.6
69.03432	3.9
71.04969	1.0
71.16196	0.5
76.42068	0.3
78.72226	0.3
79.01844	0.8
79.05464	0.3
80.05002	0.5
80.05850	0.3
81.03416	8.8
83.01323	0.7
85.02915	2.2
86.03204	0.3
89.03894	0.5
91.05474	1.1
94.44619	0.3
96.04474	0.4
97.02370	0.5
97.02895	4.9
97.29050	0.3
99.00806	0.7
99.04455	2.4
101.02396	0.4
103.05457	1.1
104.09923	0.3
108.04461	1.5
109.02882	7.1
109.05307	0.4
111.04420	0.9
117.03332	0.4
119.04910	1.3
123.04388	0.6
125.02370	0.5
127.03916	9.5
129.03352	0.6
131.04930	2.4
133.02858	1.5
135.04364	1.0
137.02324	1.7
139.03893	1.5
143.03351	0.8
145.02794	0.7
145.04938	0.9
147.04410	4.9
149.02306	0.8
151.03894	0.5
153.01837	7.2
153.02965	0.4
157.02885	1.6
159.04396	1.9
161.02298	0.5
163.03928	3.7
165.01840	5.5
165.05449	0.5
167.03401	4.5
173.02341	0.9
175.03908	5.5
177.01852	2.0
177.05461	0.7
179.03336	2.5
181.01295	2.7
183.02878	5.7
185.02278	2.0
187.03899	6.1
191.03401	11.7
192.03935	0.4
193.01326	7.7
193.04909	1.8
195.02916	3.1
201.01839	2.3
203.03391	34.2
204.03786	1.0
205.01291	2.1
205.02895	0.3
205.03235	0.3
205.04984	3.1
207.02904	3.1
209.04396	1.0
211.02348	2.9
213.01843	3.8
215.03343	5.0
217.01366	1.0
219.02890	34.5
220.03271	0.9
221.00838	9.0
221.04343	3.9
222.01103	0.6
223.02399	6.4
229.01337	2.8
230.02026	0.4
231.02882	30.4
232.03217	1.0
233.00810	5.4
233.04373	0.5
237.03903	0.9
239.01862	2.8
241.01305	4.6
245.00922	0.9
245.06516	0.8
247.02379	49.6
248.02750	2.1
249.03960	6.2
251.01790	0.6
257.00839	4.7
259.02380	39.3
260.02649	1.6
261.03961	0.7
265.03427	6.2
266.03854	0.5
273.00305	0.4
275.01859	24.3
276.02502	2.3
277.03427	100.0
278.03799	4.8
285.00311	3.3
289.03311	2.0
291.01340	0.5
293.02908	26.4
294.03186	1.2
299.01794	0.4
303.01349	26.4
304.01605	1.0
305.02899	4.2
311.03772	1.9
315.01389	2.5
315.04538	0.5
319.00723	0.7
321.02386	14.6
322.02783	0.5
328.99222	3.4
331.00806	8.5
333.02094	0.4
337.02664	0.4
339.03467	60.2
340.03879	3.0
341.02939	0.8
349.01901	1.5
355.04404	1.1
357.04498	26.4
358.05002	1.1
365.02802	1.0
367.04413	0.8
383.03885	0.9
385.05408	0.6
393.02356	1.7
411.03467	3.7
428.99188	0.6
429.04550	5.7
429.10034	0.7
437.07288	0.4
439.08542	0.9
447.05270	0.4
465.06619	4.2
483.07684	4.4
484.08310	0.5
623.82489	0.4
802.97998	0.4
803.09558	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	991.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.9
69.07095	0.7
70.52905	0.4
71.01379	0.5
71.05014	0.3
73.02922	3.3
73.03306	0.3
73.79337	0.2
79.05489	2.6
81.03411	1.4
81.07055	3.6
83.04953	0.2
83.08633	0.6
85.02905	4.9
87.04505	0.4
91.03951	3.1
91.04430	0.3
91.05473	1.6
93.07048	1.7
95.05010	0.3
95.08595	2.1
97.02889	5.3
99.04486	0.8
101.02374	1.8
103.04003	0.3
104.02569	0.2
105.04506	0.2
105.07037	1.3
107.08614	1.2
109.02920	0.8
109.10199	0.8
115.03967	0.4
117.07064	0.4
119.08610	0.7
121.10192	0.8
123.11755	0.4
123.30448	0.2
127.03893	1.3
131.08595	0.5
132.60399	0.2
133.10191	0.6
135.11768	0.5
145.05013	0.4
145.10139	0.5
147.11763	0.6
149.09631	0.3
149.13313	0.3
157.41708	0.2
159.11757	0.3
171.92973	0.2
185.04179	1.1
201.03839	0.5
203.05394	0.7
243.08394	2.6
243.10638	0.2
275.07532	0.2
305.08835	0.2
315.10883	0.3
333.20361	2.4
335.25940	0.4
335.73969	0.2
347.09409	2.5
363.09134	0.8
365.02667	0.2
365.10464	1.0
389.22971	0.3
405.13727	6.7
405.18866	0.4
406.14005	0.3
421.13098	0.3
423.20026	0.6
481.20938	0.2
519.29242	5.4
519.36334	0.4
520.29816	0.5
551.28229	3.0
552.29028	0.3
585.25153	0.5
591.31873	0.2
643.26550	0.3
681.34509	9.1
682.35370	0.9
713.33411	3.1
714.34113	0.4
753.36761	0.3
829.49902	1.0
863.48364	0.4
991.55933	100.0
992.56238	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.3
69.07067	0.5
71.01362	0.4
71.04996	0.6
73.02907	2.5
79.05509	2.4
81.03430	1.2
81.07077	2.0
85.02902	5.3
91.03957	3.6
91.05502	1.2
93.07069	1.8
95.04997	1.0
95.08609	2.3
97.02886	5.4
97.06501	0.4
98.23454	0.8
99.04468	1.0
101.02409	1.6
105.07031	1.0
107.08632	0.9
109.02901	0.9
109.10194	0.6
112.75500	0.4
119.08647	0.9
121.10159	1.0
127.03951	1.1
131.08604	0.6
133.10141	0.5
135.11707	0.4
145.10118	0.4
163.11282	0.6
165.86002	0.4
185.04259	0.9
203.05391	0.9
219.31053	0.4
243.08400	2.3
304.48392	0.4
333.20490	1.1
347.09271	1.9
365.10687	0.9
389.23346	0.6
403.95581	0.4
405.13632	4.6
519.29315	3.6
551.28174	2.9
613.67261	0.5
681.34534	8.9
682.35199	0.7
685.60071	0.5
698.06445	0.5
713.33435	3.0
829.50842	1.3
991.55957	100.0
992.56195	19.1
1014.21344	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	991.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.6
69.07088	0.8
69.10671	2.9
71.01360	0.5
72.18835	0.5
73.02926	2.6
79.05488	2.3
81.03438	1.3
81.07071	2.7
83.05029	0.6
83.08630	0.9
85.02907	4.5
91.03957	2.4
91.05486	1.5
93.07055	2.7
95.04982	1.2
95.08613	1.1
97.02906	3.8
99.04484	1.1
101.02409	1.4
105.07080	0.7
107.08591	1.1
109.10213	0.8
119.08606	0.9
121.10140	0.6
127.03920	1.2
185.04182	0.6
212.31842	0.4
243.08466	2.3
297.66168	0.5
318.04898	0.5
333.20300	0.9
347.09674	1.8
363.08997	0.7
365.10767	0.9
382.52707	0.5
389.23132	0.9
405.13605	4.8
452.09448	0.5
487.89569	0.6
519.29126	2.3
551.28296	4.2
552.28894	0.6
579.83008	0.5
601.82153	0.6
681.34552	5.5
713.33521	7.1
714.34479	0.7
729.46899	0.6
829.50659	1.2
991.55920	100.0
992.56323	15.2
992.76721	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	991.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	2.1
69.07082	0.4
71.01392	0.6
72.17667	0.3
73.02912	2.1
76.32641	0.3
79.05484	2.6
81.03435	1.0
81.07047	1.9
85.02924	2.9
91.03966	2.1
91.05499	2.6
93.07061	3.0
95.05012	0.6
95.08649	1.3
97.02914	3.7
98.23398	1.4
99.04496	0.5
101.02424	1.0
105.07046	2.4
107.08614	1.1
109.02966	0.6
109.10255	0.6
115.04038	0.4
117.07079	0.7
119.08636	1.4
121.06525	0.9
121.10110	1.0
127.03960	1.1
131.08592	0.8
133.10188	0.9
135.11731	0.6
145.10208	0.6
147.11739	0.6
157.04779	0.6
160.45181	0.4
185.04373	1.3
201.03824	0.8
203.05280	0.8
243.08493	2.0
257.06540	0.5
301.09161	1.3
315.10532	0.5
329.08569	0.6
331.10034	0.5
347.09515	2.9
363.09204	1.2
365.10828	1.0
373.23514	0.5
405.13663	4.5
463.14127	0.9
465.21088	0.7
475.14279	0.5
477.16089	0.8
489.15671	0.4
517.18738	0.6
524.39990	0.4
535.28839	4.6
559.23492	0.6
627.25989	0.9
687.28699	0.9
691.39612	0.5
697.34167	10.8
698.34503	1.1
769.36780	0.9
829.51495	0.9
921.48059	0.9
991.55975	100.0
992.56238	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	0.9
69.03435	1.7
71.01357	0.4
77.03929	0.4
79.01844	1.1
79.05480	0.5
81.03420	16.5
82.03756	0.5
83.01318	0.6
85.02895	1.1
89.03960	0.5
91.01819	0.4
91.05456	0.3
93.03391	0.4
95.01331	7.9
97.02893	1.2
98.22574	1.1
98.85074	0.3
99.04479	0.9
105.03401	0.7
107.01318	0.6
107.04977	0.6
109.02881	7.9
111.00790	1.5
112.61880	0.4
113.02351	1.0
117.03358	0.6
119.01311	2.6
121.02863	1.8
123.00806	1.4
123.04458	0.3
125.02344	1.0
127.03915	6.1
133.02849	1.2
135.04410	0.7
137.02350	2.4
139.03853	0.6
141.01826	1.5
143.03430	0.4
145.02873	0.7
147.00755	1.3
147.04391	1.3
149.02307	1.5
151.00212	2.0
153.01839	3.2
154.02106	0.6
154.99788	0.6
161.02373	1.8
163.03867	3.5
165.01836	8.7
167.03421	5.4
168.19153	0.3
169.01338	0.8
173.02327	1.3
175.00279	1.1
175.03905	0.8
177.00420	0.6
177.01866	7.5
178.99864	0.4
179.03413	1.2
181.01286	0.6
183.02933	1.0
189.01840	4.2
190.02591	0.7
191.03375	4.7
193.01332	13.2
194.01613	0.5
195.02809	1.7
197.00755	0.5
201.01834	2.9
202.99835	0.6
203.03429	1.4
205.01283	0.9
207.02875	3.7
208.03436	0.4
211.02364	1.5
217.01334	9.6
218.01881	1.0
219.02888	6.4
221.00816	100.0
222.01172	3.8
227.03464	0.4
229.01309	2.4
229.04979	0.4
229.38220	0.5
230.02151	0.4
231.02895	4.0
233.00945	0.5
235.02385	7.7
239.01773	3.3
243.02850	0.5
245.00818	7.3
245.04591	0.6
246.01579	0.7
247.02380	8.0
247.04898	0.4
248.02740	1.0
257.00659	2.2
257.03049	0.5
259.02365	2.4
263.01852	4.3
271.02328	1.0
271.99625	0.5
273.00311	8.7
274.01080	0.9
275.01849	6.4
276.02448	0.6
277.03479	0.6
285.00226	0.6
287.01910	0.9
291.01367	2.0
297.03857	0.6
300.99814	3.6
301.03094	0.7
302.00528	1.1
303.01382	6.8
304.01837	0.4
311.01913	0.6
317.02490	0.3
319.00842	7.7
319.04602	0.6
320.01218	0.6
325.03540	0.4
329.03098	0.5
337.01910	20.1
338.02313	1.1
339.03604	0.6
340.03577	0.4
347.03931	0.8
361.01837	0.4
365.04874	0.4
383.06027	0.9
387.03073	0.4
399.03418	0.4
427.02811	0.5
431.02429	1.2
445.04004	1.6
449.03510	0.7
459.01901	1.3
463.04944	1.4
477.03009	2.1
481.05920	0.5
528.52319	0.4
547.04901	0.4
557.01965	0.4
575.02930	0.5
603.05560	0.7
665.03912	0.5
673.06415	1.0
683.05035	1.7
701.06183	5.8
702.05841	0.7
763.03381	0.6
765.04865	1.4
781.04663	0.7
782.05835	0.5
783.06226	1.0
795.02765	0.5
849.07867	0.6
865.06915	0.5
875.05469	0.4
877.07013	0.7
893.06311	1.3
895.07568	0.5
903.04370	0.7
911.08105	1.9
914.42963	0.4
921.06390	5.8
922.05109	0.6
939.07263	6.5
940.06775	0.9
957.08533	7.0
958.08264	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	994.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	0.6
69.03435	1.2
71.04971	0.3
76.56087	0.2
79.01852	0.6
79.05466	0.2
80.26596	0.1
81.03422	11.3
82.78122	0.1
83.01328	0.3
85.02900	0.7
89.03905	0.2
91.01857	0.3
91.05452	0.2
92.99765	0.3
93.03409	0.5
95.00758	0.2
95.01332	2.8
97.02897	0.9
99.00803	0.3
99.04465	0.5
101.02383	0.2
107.01324	0.3
107.04942	0.3
109.02882	6.2
111.00826	0.7
111.04418	0.3
113.02364	0.9
113.21982	0.2
114.68216	0.1
117.03362	0.2
119.01310	2.4
119.04961	0.3
121.02878	1.6
123.00780	1.3
125.02379	0.6
127.03922	5.2
128.04128	0.2
131.04834	0.2
133.02824	0.2
135.04474	0.3
137.02332	1.3
139.00261	0.2
139.03909	0.4
141.01823	1.2
145.02855	0.5
147.00754	1.1
147.04376	1.2
149.02344	0.9
151.00259	1.5
153.01828	0.2
154.99763	0.7
157.02815	0.2
161.02391	0.2
163.03911	2.2
165.01840	6.1
165.03230	0.3
166.02357	0.2
167.03423	2.4
169.01308	0.7
171.04527	0.3
173.02370	0.7
175.00330	0.7
175.03894	0.9
177.01836	2.6
178.99734	0.4
179.03386	0.6
181.01378	0.3
181.04909	0.3
182.99283	0.3
183.02960	0.8
185.02371	0.3
187.03896	0.4
191.03392	6.3
193.01328	8.4
193.04997	0.3
194.01770	0.2
195.02896	0.8
197.00771	0.2
199.03857	0.2
201.01831	1.2
202.02400	0.2
202.99715	0.7
203.03421	1.9
205.01254	1.1
207.02914	0.8
209.00832	0.2
211.02364	1.3
213.01901	0.2
215.03369	0.4
217.01323	0.6
218.02089	0.2
219.02890	7.4
220.03116	0.2
221.00815	100.0
222.01157	2.8
223.02325	0.5
229.01366	1.2
229.04993	0.3
231.02878	3.6
233.00790	3.0
235.02489	0.3
237.00259	0.2
239.01823	4.0
241.01320	0.3
243.02855	0.2
245.00819	0.8
245.04172	0.2
246.01559	0.4
247.02399	8.2
249.03958	0.6
251.01845	0.2
255.02870	0.4
257.00729	2.3
257.02982	0.3
257.05014	0.2
258.01285	0.2
259.02399	4.0
261.00211	0.2
261.03812	0.2
263.01923	1.0
265.03403	0.6
271.02386	0.2
273.00278	1.3
273.03607	0.3
274.00986	0.3
275.01865	12.6
276.02335	0.4
277.03448	2.4
281.04440	0.2
283.02319	0.4
285.00259	0.9
285.03699	0.3
287.01913	0.6
289.03342	0.3
291.01477	0.2
293.02875	1.2
297.03882	0.2
300.99774	0.5
301.03464	0.4
302.00528	0.5
303.01352	8.4
304.01614	0.4
311.01880	0.4
313.03406	0.5
315.01285	0.4
317.02805	0.2
321.02414	1.8
325.03470	0.2
327.01416	0.2
327.04953	0.2
328.99289	0.3
329.02878	0.2
339.03503	9.8
340.03885	0.4
341.02701	0.2
345.02448	0.2
347.03918	1.3
357.02316	0.3
365.05234	0.4
367.00473	0.2
369.02194	0.3
380.37540	0.2
383.05917	0.7
385.01782	0.3
387.03360	0.2
401.04706	0.2
403.02695	0.4
413.01181	0.3
429.04456	0.3
431.02625	0.8
447.05667	0.8
449.03513	0.6
459.01877	1.9
460.02020	0.2
465.06512	0.6
477.03043	2.1
495.03525	0.3
577.04620	0.2
585.05078	0.2
603.06262	0.8
621.06708	0.2
657.06793	0.2
675.07983	0.6
685.06696	1.9
703.07745	5.1
704.07776	0.4
721.08295	0.3
749.06348	0.4
765.05096	0.6
767.06702	0.7
783.06506	0.6
785.07727	0.3
795.04846	0.2
803.82056	0.2
849.07703	0.2
867.08051	0.7
877.06274	0.2
895.07910	1.1
905.05182	0.6
913.09760	0.8
922.90656	0.2
923.07886	3.3
923.65033	0.2
924.07861	0.4
931.09918	0.3
941.08978	5.1
942.08124	0.7
959.10352	2.4
960.07941	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	994.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	0.6
69.03428	1.1
71.01357	0.4
71.04996	0.2
79.01859	0.9
79.05482	0.5
81.03417	11.5
81.41277	0.2
83.01331	0.3
85.02891	0.9
89.03907	0.2
90.35424	0.2
91.05473	0.5
92.99788	0.2
93.03431	0.3
95.01324	2.7
96.83002	0.2
97.02889	0.7
99.00859	0.3
99.04459	0.6
103.05479	0.2
107.04966	0.5
109.02887	6.7
109.03569	0.2
111.00809	0.7
113.02361	1.0
117.03387	0.3
119.01302	1.7
119.04967	0.3
121.02868	1.4
123.00765	1.4
125.02333	0.5
127.03921	10.0
133.02887	0.3
135.04385	0.5
137.02345	1.5
139.03894	0.5
141.01848	1.4
145.02859	0.4
147.00768	1.4
147.04407	1.3
149.02361	1.1
151.00288	1.5
153.01761	0.5
154.99748	0.8
161.02327	0.3
163.03912	2.7
165.01840	5.5
167.03427	2.6
169.01334	0.8
173.02357	0.8
175.00302	0.7
175.03918	1.1
177.01842	2.6
178.99734	0.4
179.03366	0.6
181.01309	0.3
183.02896	0.5
185.02232	0.3
187.03879	0.4
189.01758	0.3
191.03384	8.4
192.03804	0.3
193.01318	8.6
195.02921	0.7
199.03824	0.3
201.01843	1.4
202.99753	0.7
203.03397	2.1
204.03879	0.3
205.01323	1.6
205.04778	0.3
207.02904	0.7
211.02319	1.4
213.01779	0.3
215.03389	0.6
217.01353	0.8
219.02898	8.9
220.03160	0.5
221.00813	100.0
222.01149	3.1
223.02440	1.1
229.01340	1.1
231.02876	4.5
232.03273	0.3
233.00839	4.2
233.04379	0.3
234.01338	0.3
235.02405	0.7
237.03923	0.3
239.01836	5.2
241.01271	0.3
243.02898	0.3
245.00809	1.0
246.01553	0.5
247.02377	9.7
248.02785	0.5
249.03941	1.0
251.01984	0.4
255.02898	0.5
257.00729	2.6
257.03125	0.3
259.02405	5.1
260.02753	0.3
263.01712	1.2
265.03394	0.8
267.02673	0.2
267.48288	0.2
269.04410	0.3
271.02423	0.2
273.00287	1.7
273.02921	0.3
274.01205	0.3
275.01849	15.2
276.02286	0.9
277.03406	3.1
285.00241	0.7
285.03644	0.5
287.01859	0.7
287.05164	0.2
289.03571	0.3
293.02902	1.7
297.04077	0.5
299.01996	0.3
300.99841	0.5
302.00610	0.6
303.01358	13.4
304.01727	0.6
321.02448	2.9
327.01254	0.4
328.99048	0.3
329.02838	0.3
339.03494	16.6
340.03781	0.7
345.02258	0.3
347.04065	1.8
365.04999	0.5
383.06006	0.5
429.04538	0.4
431.02551	0.6
439.05435	0.2
447.05453	0.7
449.03372	0.8
459.01941	1.9
465.06503	0.8
467.05533	0.3
477.02942	2.3
495.04083	0.4
577.04523	0.4
603.05646	0.6
621.06769	0.5
675.07813	0.3
685.06171	0.9
703.07764	4.7
704.06982	0.5
765.05072	0.7
767.06824	0.5
777.13727	0.2
783.04572	0.3
807.09741	0.4
849.07172	0.3
867.07562	0.3
879.07574	0.4
895.08618	1.2
897.09875	0.4
905.06494	0.3
913.08728	0.9
923.07959	3.0
941.08844	5.9
942.08405	0.6
959.10187	2.9
960.10419	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	997.6246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07373	2.9
72.81673	0.1
78.72304	0.2
81.07047	0.5
86.09706	29.2
87.10030	0.3
95.08615	0.3
98.98466	3.1
104.10744	3.1
122.47633	0.2
125.00005	19.7
143.01068	0.2
159.18098	0.2
163.01677	0.2
184.07341	100.0
185.07700	1.1
206.33925	0.1
212.91844	0.2
233.93163	0.2
243.88913	0.1
258.11029	0.3
267.28439	0.1
285.59564	0.2
358.65134	0.2
449.45602	0.2
502.32925	1.4
520.33984	17.1
521.34387	1.2
976.46320	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	999.2917
Annotation	Vanicoside A
Peak:m/z	Relative Intensity
78.04710	0.7
81.03422	1.1
83.16621	0.2
83.32522	0.2
89.03917	11.2
90.82193	0.2
91.05482	15.8
92.05824	0.3
93.07081	0.3
95.04974	0.4
98.22560	0.5
103.05442	0.4
106.04173	0.7
109.02882	3.1
117.03381	26.4
118.03740	0.3
119.04945	25.8
120.05257	0.4
121.06493	0.5
124.05225	0.4
127.03905	0.7
134.03641	1.9
135.04453	1.6
137.05980	0.5
145.02849	52.9
146.03168	1.3
147.04410	78.1
148.04730	2.0
149.05983	7.5
163.03941	0.6
165.05524	0.4
177.05470	100.0
178.05823	2.2
180.24944	0.2
181.04982	0.3
184.00748	0.2
186.05515	1.6
195.06474	0.3
203.06831	0.2
259.09680	0.3
273.07587	1.4
303.08588	0.6
321.09521	0.3
326.10873	0.3
339.10712	0.3
449.12122	0.3
485.14194	0.4
649.16711	0.2
967.32037	0.2
999.35162	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	1001.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05527	0.7
93.03456	1.2
95.01403	0.6
95.05070	0.4
98.21740	0.8
99.00906	1.1
102.88538	0.3
105.03477	1.5
105.07072	0.7
107.05048	1.8
109.02950	0.8
111.00893	0.7
115.05560	0.8
117.03464	1.6
118.04242	0.3
119.05040	1.5
121.02937	1.5
121.06594	2.4
123.00887	0.9
123.04533	2.1
125.02460	2.6
131.05084	1.6
133.02943	0.6
133.06613	7.4
134.06949	0.3
135.04538	4.7
137.02461	2.6
143.05023	1.1
144.98204	0.3
145.02954	4.1
146.03738	1.6
147.04497	0.9
149.02446	3.6
149.06107	3.5
151.04015	6.9
152.04352	0.4
158.03781	0.5
159.04529	5.6
160.01614	0.3
160.05273	1.3
161.02448	1.7
161.06097	11.6
162.03229	3.8
162.06439	0.3
163.04027	18.4
164.01228	0.4
164.04414	0.7
165.01971	2.5
166.99846	0.3
167.03404	0.5
169.01431	2.0
173.02452	0.8
175.04047	1.8
177.01962	1.8
177.05576	6.6
186.03108	0.3
187.04021	8.9
188.04408	0.6
189.01894	0.9
190.01152	0.5
190.02728	4.3
191.03438	1.6
193.01428	21.0
194.01781	0.8
195.03073	0.6
195.63318	0.3
201.01976	0.8
203.03513	2.4
204.04199	0.3
205.05075	24.5
206.05359	0.9
217.01393	1.0
219.02995	1.0
221.04561	1.3
222.01640	0.4
226.34541	0.3
229.01404	0.6
230.01677	0.4
231.03006	1.0
231.54906	0.3
233.00917	1.6
237.00446	2.0
245.00966	0.8
247.02472	1.7
249.04059	20.0
250.04395	1.3
261.00415	0.6
263.66324	0.3
270.98795	0.7
273.00299	1.7
275.02051	1.8
280.92450	0.4
291.01587	0.6
293.03113	3.5
298.98285	1.0
299.99103	0.9
300.99960	2.9
337.02032	100.0
338.02353	5.7
445.04315	0.4
461.03879	0.8
613.04700	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	1001.111
Annotation	Unknow
Peak:m/z	Relative Intensity
72.22219	0.9
76.99041	0.6
83.86575	0.7
95.01402	1.0
99.00874	1.5
105.03486	1.1
109.02956	1.7
111.58178	0.6
117.03445	0.9
119.01427	1.0
119.05015	1.2
123.00873	1.8
125.02455	8.1
131.05075	1.7
133.02963	2.2
135.04552	2.4
145.02979	3.0
147.00908	2.8
147.04549	4.8
148.01666	1.8
149.02431	0.8
158.03691	0.9
159.04500	4.7
161.02455	3.0
161.05902	0.7
163.00401	1.1
163.04056	5.5
165.01953	0.8
166.99883	1.4
169.01477	8.6
169.02866	1.4
173.02422	2.6
175.00330	2.3
175.04022	9.9
176.01215	0.9
177.01952	8.2
177.05606	0.9
179.03479	3.5
185.02477	2.4
187.04021	6.0
189.01929	3.3
190.02669	1.5
191.03534	3.8
192.00696	2.4
193.01390	0.9
201.01950	2.8
203.03514	31.6
204.03996	1.6
205.05150	1.8
207.02991	6.6
213.01950	2.1
216.00681	1.4
217.01453	4.3
218.99425	1.6
219.03011	3.0
229.01488	3.9
230.02264	0.8
231.02997	35.5
232.03325	1.7
235.06163	1.5
245.00963	5.7
246.01424	0.8
246.76749	0.7
247.02477	5.9
249.03888	1.2
251.01996	15.8
257.00952	1.4
261.00275	1.0
263.05643	1.6
270.98828	3.1
273.00443	11.8
275.02011	6.0
291.01550	2.9
298.98349	6.1
299.99063	2.4
300.99933	14.3
302.00110	1.6
307.04507	3.8
316.99347	2.1
322.89493	0.7
348.67200	0.7
351.03601	100.0
352.03958	6.2
433.04181	1.2
443.02600	1.6
445.04077	3.2
461.03677	5.9
463.05093	2.6
569.05444	1.1
613.04529	3.6
631.05920	2.3
829.75543	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	1003.127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26125	2.3
71.26532	2.3
75.00900	2.0
85.02957	41.3
95.01404	10.4
107.01443	3.3
109.02962	2.1
111.00939	3.0
117.03497	3.4
119.05063	2.5
123.00902	20.2
125.02467	17.0
129.01976	11.1
131.04980	1.9
133.03001	10.9
135.04529	21.0
137.02457	3.4
145.02969	8.3
147.03018	21.4
147.04478	6.3
149.02509	2.3
157.02998	6.2
159.04556	3.9
161.02466	38.1
161.06044	3.0
162.02910	1.9
163.00453	2.4
163.04022	7.1
165.01984	3.5
166.99881	6.8
169.01427	15.0
173.00941	8.7
173.02451	7.0
175.04062	7.5
177.01904	5.3
177.05521	3.3
179.03531	12.2
185.02419	4.5
187.03967	3.5
189.01933	5.2
190.02731	4.1
190.99812	3.1
191.01982	8.1
191.03523	12.8
193.01442	6.8
200.01207	1.9
201.01903	12.9
203.03546	12.9
205.05089	8.0
217.01451	7.7
219.02994	7.3
226.99919	4.3
229.01398	18.4
231.02927	12.5
233.00908	2.4
235.02368	2.5
245.00963	8.5
247.02525	26.2
247.06097	5.1
248.02916	2.4
249.04118	6.3
257.00983	4.9
261.00491	2.8
263.02087	3.1
270.98956	5.2
273.00510	17.8
274.01062	2.6
275.01990	17.7
291.01535	4.9
293.03070	5.5
298.98541	10.5
299.99091	7.1
300.99921	43.9
302.00018	4.5
337.02036	11.9
353.05197	28.1
385.75662	1.7
414.47354	1.8
433.03912	2.8
443.02734	4.4
445.04147	5.8
461.03613	4.3
463.05359	7.7
603.06140	7.9
613.04761	100.0
614.05164	15.7
631.05896	43.7
632.06219	7.0
633.07538	7.6
799.95087	2.0
869.22083	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49279	0.3
79.05525	0.5
81.03469	0.3
85.02958	3.1
86.38017	0.3
91.05531	0.6
93.03457	1.2
95.01373	0.6
95.05020	0.3
99.00907	1.2
105.03490	0.9
105.07123	0.8
107.01424	0.5
107.05029	2.6
109.02945	0.8
111.00878	1.0
115.05562	0.8
117.03477	2.2
119.05026	2.3
121.02968	2.3
121.06623	2.8
123.00897	1.3
123.04526	1.5
125.02466	5.4
129.01952	0.9
131.05051	1.1
133.02962	1.2
133.06607	7.6
134.03781	0.6
134.06831	0.3
135.04539	5.6
137.02460	2.3
143.05017	1.0
145.02953	5.1
146.03685	1.4
147.04489	1.3
149.02461	3.6
149.06087	3.0
150.02740	0.4
151.04028	8.4
158.03763	0.6
159.04547	7.1
160.05280	1.2
160.82860	0.3
161.02480	1.8
161.06105	14.0
162.03242	3.4
162.06348	0.6
163.04028	21.5
164.01225	0.8
164.04364	1.1
165.01973	2.9
169.01431	6.5
170.01775	0.6
173.02390	0.9
175.04008	2.5
176.01147	0.5
177.01991	1.9
177.05557	6.0
178.84953	0.3
185.02460	0.5
187.04019	9.4
188.04483	0.9
189.01918	0.8
190.02739	4.4
191.01985	2.5
191.03534	1.7
193.01430	20.9
194.01758	0.9
195.02989	0.4
201.01933	1.3
203.03514	4.1
204.04140	0.7
205.05072	27.7
206.05418	1.2
219.02933	1.9
221.04562	1.2
222.01534	0.4
229.01405	2.2
230.02170	0.3
231.02968	2.5
233.00940	1.6
235.02440	0.8
237.00386	2.1
245.00949	0.6
247.02527	2.2
249.04059	20.5
250.04419	1.0
257.00940	1.1
258.01675	0.4
261.00571	0.6
270.99002	0.5
273.00433	1.4
275.02008	8.1
291.01709	0.7
293.03082	5.4
294.03427	0.4
294.10715	0.4
300.99902	8.2
302.00406	0.8
319.00839	0.5
337.02036	100.0
338.02380	7.0
463.05087	1.7
481.06470	0.5
483.08463	0.4
513.67261	0.4
613.04999	3.4
614.04694	0.5
631.06366	1.8
633.07281	4.7
634.08063	0.8
635.08557	1.3
665.10083	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	1003.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26712	2.6
81.03452	3.2
83.01398	10.5
93.03484	4.4
95.01379	4.1
95.05021	3.3
97.02972	5.9
107.01417	2.4
107.05057	1.7
109.02970	23.0
121.02942	5.8
122.03835	2.1
123.00920	5.3
123.04535	11.8
124.01678	2.3
125.02460	100.0
126.02837	2.4
133.02963	4.4
135.00912	3.5
135.04541	3.2
137.02466	30.8
139.04005	2.6
145.03050	2.0
149.02487	10.0
150.03270	2.4
151.04030	18.3
154.07974	2.1
159.04576	4.6
161.02504	8.9
161.06088	4.0
163.00403	17.4
163.04024	3.3
164.01178	9.9
165.01965	12.0
167.03476	2.0
168.00456	2.1
169.01442	38.1
174.03378	2.6
175.04050	7.5
177.01979	14.0
178.02258	2.3
179.03519	5.1
182.66661	2.2
183.04602	2.2
185.06088	4.6
187.04007	8.5
189.05641	2.7
193.01440	5.6
195.04381	2.4
197.06126	2.6
198.03285	2.4
199.04033	4.3
201.01865	2.0
201.05608	5.4
202.99754	2.1
203.03398	3.1
203.07164	7.5
205.01488	2.0
205.05026	5.3
209.06030	2.8
211.04034	8.0
212.04868	4.4
213.05545	14.4
214.02678	2.5
215.03568	4.0
217.05121	4.5
223.03975	4.4
224.04575	2.6
225.05647	10.9
227.03548	11.5
228.04276	3.2
229.05011	4.7
231.02942	2.1
235.04001	7.0
235.07727	2.5
236.04541	2.3
237.05481	2.3
239.03435	2.9
239.07135	3.2
240.04242	3.5
241.05078	28.3
243.03038	5.8
244.58075	1.9
245.04546	2.8
245.08279	5.3
249.05547	5.3
251.03563	19.7
252.04099	3.0
253.05188	10.4
253.22598	1.9
255.02965	18.4
256.03699	4.3
257.04532	9.9
261.05484	2.2
263.03494	8.8
263.07095	4.8
264.04181	5.4
265.05240	9.6
267.02991	2.6
267.06683	5.4
269.04538	30.0
273.05710	3.6
274.06396	3.9
275.07120	6.2
277.05200	4.6
278.05688	2.5
279.03040	21.4
279.06448	4.3
280.03802	4.8
281.04593	17.5
283.02585	2.8
283.05927	2.1
285.04050	2.8
288.04294	2.0
289.04581	2.3
289.07388	18.1
290.05750	3.4
291.03204	4.2
291.06638	5.7
292.04089	2.4
293.04678	4.9
294.05411	2.0
295.05954	3.9
297.04083	19.7
298.04507	2.8
299.07251	3.0
300.03033	2.7
301.05258	4.1
302.05765	5.5
303.06747	8.8
305.04523	4.2
305.08133	4.3
307.06198	5.5
309.04022	6.0
309.07526	2.3
313.04892	2.3
315.06638	6.1
317.04599	7.8
317.08438	4.5
318.05432	4.9
319.06100	11.9
320.06766	2.2
321.04102	2.4
321.07657	4.0
327.06583	2.5
329.04581	2.3
330.05301	4.4
331.06235	9.6
333.04016	5.0
333.07660	11.7
335.05609	4.6
336.06339	2.5
337.07114	4.2
339.08701	2.4
343.06119	6.8
345.04156	2.4
345.07626	10.5
345.98068	2.1
346.04733	4.2
347.05661	4.4
349.07324	6.4
355.06186	4.5
357.03833	2.6
359.05557	13.6
360.06320	3.7
361.07248	25.8
363.05215	4.9
365.06650	4.1
369.03748	2.5
371.05658	8.1
373.07242	10.8
375.05099	5.5
377.06744	11.2
387.05096	20.3
389.06656	11.9
391.08533	2.4
393.06894	2.9
399.05124	8.1
405.05966	22.8
405.20258	2.3
407.07791	26.8
408.08203	3.0
417.06143	23.8
418.06613	3.4
423.07251	2.4
425.08813	5.6
435.07370	7.0
449.05524	2.7
457.09314	3.8
481.09210	7.8
499.10364	11.4
501.08392	2.1
515.10071	4.3
517.11261	2.9
525.08313	13.0
526.08710	2.6
543.09448	44.3
544.09735	6.9
555.09558	3.5
559.08417	2.6
561.10474	23.2
562.10669	3.2
569.10754	3.2
575.08301	6.0
577.10077	2.6
587.08350	59.2
588.09009	8.9
651.11072	2.2
669.12482	4.2
671.10620	2.2
673.11841	2.9
677.11017	2.2
681.12341	2.6
695.10449	27.7
696.11188	5.2
707.13208	8.0
708.13806	2.1
713.11499	38.4
714.11804	7.7
725.13763	3.9
833.16284	3.6
851.15430	6.1
852.15930	2.9
877.16376	6.0
985.17657	2.4
1003.18823	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	1003.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.4
85.10748	0.8
89.02441	1.3
95.01405	1.4
99.56564	0.8
107.01390	3.2
108.82086	0.8
108.87135	0.9
109.02920	1.4
111.00924	2.0
123.00911	9.0
124.01664	1.2
125.02465	12.2
126.02840	1.5
127.00277	0.8
136.98843	1.7
139.00372	3.4
139.04111	1.0
140.01167	3.2
141.01955	1.7
151.00365	4.5
151.04022	1.0
168.00665	6.8
169.01468	14.2
183.03035	1.6
197.26167	0.8
211.02483	2.6
225.44832	1.0
228.07669	0.8
236.09149	0.9
236.11475	0.9
244.89616	0.8
271.04587	2.1
282.52246	0.9
285.06268	1.0
297.06088	0.9
313.05573	1.1
344.12546	1.1
359.15088	2.6
507.18793	3.2
543.09564	2.4
616.65393	1.0
673.21399	100.0
674.21613	15.8
786.80817	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	1005.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
76.18455	1.6
95.01418	3.5
98.21870	3.5
98.22491	3.1
112.02807	1.9
119.05058	2.6
123.00926	3.7
125.02472	5.3
133.02989	2.8
145.02962	4.7
147.04539	3.9
157.02962	3.2
159.04657	2.2
161.02496	4.7
163.04039	3.9
169.01466	2.7
171.00951	3.9
173.02464	7.4
175.04057	3.9
177.01953	3.0
185.02461	4.9
187.00272	2.2
189.02002	5.1
191.03569	6.0
192.90887	2.2
199.00395	2.8
201.02026	9.9
203.03526	4.6
214.99892	3.6
217.01474	6.0
219.03073	3.6
226.99852	8.1
229.01451	20.4
230.02100	2.2
231.03049	5.8
233.11592	1.9
242.99371	4.6
245.00905	9.3
247.02449	8.8
249.04048	3.7
254.99342	3.1
257.00995	8.8
261.00400	2.5
270.98822	12.7
271.99612	2.6
273.00485	11.8
275.02036	16.6
283.99570	3.3
298.98285	18.5
299.99191	11.3
300.99908	100.0
302.00156	10.1
443.02625	2.2
481.61908	2.0
613.04761	6.8
631.05450	3.4
725.76331	2.5
897.04199	24.2
898.04504	5.3
915.05768	23.6
916.05164	5.4
933.05914	13.5
934.05664	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	1005.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	2.0
71.26893	2.8
84.02177	1.7
85.02959	100.0
86.03299	2.0
95.01411	3.5
97.02975	1.8
107.01369	2.6
109.02871	1.6
119.05048	6.2
121.02950	1.9
121.06615	2.7
123.00888	9.2
123.04534	2.8
125.02442	11.4
129.01974	11.5
133.06621	3.8
135.04517	5.0
137.02496	3.9
139.00412	2.6
139.03113	2.0
145.02985	5.9
147.03015	12.5
147.04407	2.3
149.02441	4.3
149.06104	2.5
151.04004	3.1
159.04533	6.7
161.02481	3.6
161.06096	7.0
162.03189	2.0
163.00435	2.1
163.04021	15.2
164.04378	4.4
165.01967	3.0
169.01419	15.1
173.00964	4.2
173.02438	4.4
175.04002	5.6
177.01990	2.9
177.05579	2.2
179.03575	2.1
187.04013	7.4
187.54781	2.2
189.01862	2.4
190.02667	3.3
191.00226	2.7
191.01990	53.0
191.03517	5.3
193.01366	11.6
194.01695	3.9
199.00258	1.7
201.01968	6.3
203.03525	6.9
205.01537	1.7
205.05049	14.6
206.05376	3.2
207.05696	1.7
209.03008	18.2
217.01527	3.4
219.02988	4.0
229.01341	9.7
230.02058	2.1
231.03009	6.9
245.00958	5.6
247.02515	12.9
249.04007	13.1
250.04419	5.6
251.04457	2.3
255.16867	1.9
257.00961	7.9
258.01529	1.9
273.00436	7.5
275.02011	24.5
276.02264	2.4
291.01648	2.2
293.03082	2.3
298.98395	4.9
300.99930	29.3
302.00394	4.3
337.02023	34.6
338.02463	18.6
339.02524	13.8
355.06708	22.1
463.05106	3.0
514.59613	1.8
603.07373	1.8
613.04919	32.5
614.04871	6.4
631.05817	19.2
632.05469	2.6
633.07349	29.6
634.07758	5.3
635.08527	6.5
651.08295	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	1005.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.1
73.09329	0.9
79.01876	0.7
83.01371	1.3
84.02189	1.2
85.02958	46.7
95.01398	2.6
98.22493	1.3
99.00912	0.7
103.00359	1.0
107.01379	2.5
109.02958	1.0
119.05047	0.9
123.00916	5.8
124.94914	0.7
125.02462	19.2
126.02800	0.8
129.01959	19.9
131.05037	1.3
133.03021	0.9
134.03711	0.9
135.04541	8.2
137.02460	2.5
139.00403	1.3
141.03511	1.0
145.02971	3.0
147.03021	5.8
147.04535	2.0
149.02451	1.1
150.05669	0.8
151.04005	1.0
157.02998	2.3
159.04536	2.9
161.02469	2.9
163.00394	3.2
163.04022	3.1
164.01202	0.7
164.04301	1.1
165.01927	1.2
167.03488	0.9
168.00621	0.9
169.01447	25.2
173.00937	15.7
173.02448	3.5
174.01306	1.0
175.04010	5.8
176.04353	0.8
177.01953	3.4
179.03508	6.0
185.02464	3.6
187.04028	1.6
189.01973	1.4
190.02617	1.4
191.01994	52.0
191.03502	4.9
192.02361	2.2
193.01419	4.3
201.01953	6.2
203.03542	12.4
204.03938	0.9
205.05110	3.2
206.05333	0.9
209.01096	1.6
209.03067	5.9
211.02509	1.8
213.01952	2.2
217.01459	2.9
219.03027	3.3
221.04575	2.7
229.01425	12.8
230.01974	2.1
231.02986	11.1
232.03493	0.9
237.00455	1.6
244.00139	0.9
245.01013	4.3
246.01556	1.0
247.02483	9.3
249.04085	11.7
250.04506	0.9
257.00928	13.4
258.01712	3.5
270.98801	1.3
273.00473	4.3
274.01050	1.3
275.01993	58.9
276.02310	3.9
283.99820	1.1
293.03052	2.6
298.98529	1.1
299.99118	3.1
300.99921	72.4
302.00256	4.8
313.05692	1.5
314.97888	0.9
319.01151	0.8
337.02191	3.2
338.02390	1.3
353.05237	7.0
355.06900	1.8
463.05161	4.4
481.06439	1.2
607.09363	2.7
613.04669	7.4
614.05524	4.1
615.05530	4.1
631.05353	4.2
632.06207	1.8
633.07373	100.0
634.07593	12.3
634.17194	1.0
635.08679	6.6
636.09326	1.4
651.08417	13.6
652.08441	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	1005.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	6.3
71.25568	1.4
72.99319	1.9
75.00908	0.9
82.53726	0.7
83.01398	1.7
84.02189	2.2
85.02959	81.3
86.03329	1.7
89.02468	2.4
95.01411	3.5
96.30185	0.9
99.67982	0.8
103.00399	1.3
107.78940	0.8
110.60567	0.8
111.00922	1.4
119.05059	1.7
123.00887	5.6
125.02461	3.7
129.01939	5.0
130.49309	0.9
133.01450	3.6
135.04533	0.9
137.02461	1.8
144.16266	0.8
145.02956	2.5
147.03017	13.0
147.04454	1.4
149.44962	0.9
151.57230	0.8
157.02937	1.5
161.02449	1.7
163.04036	2.6
166.99904	1.6
169.01491	3.9
173.01009	1.8
173.02477	2.4
175.04048	1.6
177.01945	1.3
189.01904	1.7
190.02678	0.9
191.02003	38.7
191.03514	3.9
191.05629	2.7
192.02348	0.9
201.02011	4.5
203.03548	2.5
209.03046	100.0
210.03467	2.4
217.01413	2.6
219.03011	2.0
222.57323	0.8
229.01392	4.0
231.03065	2.1
235.02411	1.5
245.00941	2.5
247.02550	9.4
257.00900	1.5
261.00363	1.1
263.01953	1.8
270.98898	1.1
273.00510	4.7
275.01987	3.5
291.01581	1.7
298.98431	2.6
299.99225	1.5
300.99878	7.9
302.00104	0.9
304.00345	0.9
335.00629	1.2
355.06696	16.8
411.81549	0.8
501.97073	1.0
522.67841	0.9
603.06421	1.2
612.94769	1.8
613.04706	32.9
614.05225	3.9
631.05951	16.1
632.06085	2.0
633.07092	2.7
739.46002	1.2
1020.91486	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	1005.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.0
73.25069	0.5
83.01403	0.5
85.02960	2.1
93.03481	1.6
95.01396	1.4
101.02429	0.9
107.01402	7.6
108.02190	8.7
109.03008	0.7
111.00912	1.6
111.04543	0.7
113.02490	1.1
123.00904	6.1
123.04533	9.6
125.02454	44.7
126.02823	1.5
136.01671	15.3
136.98915	0.7
137.02495	2.8
139.00395	2.6
140.01195	1.5
146.18970	0.5
151.00381	4.9
151.04022	10.3
168.00674	1.9
169.01439	71.0
170.01781	2.8
173.04601	4.2
177.26114	0.7
183.03029	0.7
191.03726	0.7
191.05647	2.9
195.03081	0.6
211.02495	2.0
241.03490	1.0
247.02489	0.9
253.03680	0.6
258.95694	0.5
275.02121	0.7
300.99933	1.5
313.05667	24.0
314.05960	1.0
325.05591	1.3
337.01959	0.8
343.06793	6.8
465.10577	9.1
466.10587	0.7
495.07813	9.3
496.08380	0.9
509.09399	100.0
510.09723	11.0
613.04407	1.5
631.05334	0.9
633.07648	1.0
635.08539	2.7
714.36035	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	1005.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.0
73.25069	0.5
83.01403	0.5
85.02960	2.1
93.03481	1.6
95.01396	1.4
101.02429	0.9
107.01402	7.6
108.02190	8.7
109.03008	0.7
111.00912	1.6
111.04543	0.7
113.02490	1.1
123.00904	6.1
123.04533	9.6
125.02454	44.7
126.02823	1.5
136.01671	15.3
136.98915	0.7
137.02495	2.8
139.00395	2.6
140.01195	1.5
146.18970	0.5
151.00381	4.9
151.04022	10.3
168.00674	1.9
169.01439	71.0
170.01781	2.8
173.04601	4.2
177.26114	0.7
183.03029	0.7
191.03726	0.7
191.05647	2.9
195.03081	0.6
211.02495	2.0
241.03490	1.0
247.02489	0.9
253.03680	0.6
258.95694	0.5
275.02121	0.7
300.99933	1.5
313.05667	24.0
314.05960	1.0
325.05591	1.3
337.01959	0.8
343.06793	6.8
465.10577	9.1
466.10587	0.7
495.07813	9.3
496.08380	0.9
509.09399	100.0
510.09723	11.0
613.04407	1.5
631.05334	0.9
633.07648	1.0
635.08539	2.7
714.36035	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	1005.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.5
73.02976	0.4
73.98129	0.5
87.00851	0.5
87.57969	0.5
89.04010	1.3
93.03445	0.7
98.22540	1.1
103.48765	0.5
113.02458	0.9
117.03479	54.9
118.03819	1.9
119.05042	13.2
122.03754	1.4
125.02483	0.7
133.02965	0.7
134.03731	2.3
135.04558	0.9
136.01668	1.3
145.02969	100.0
146.03288	4.1
147.04568	0.6
149.02435	1.7
149.06050	0.6
150.03242	4.5
151.03984	1.1
159.04524	1.2
160.01688	3.2
161.02444	1.4
161.06140	0.5
163.04022	9.9
165.05615	3.8
169.01428	0.6
173.06163	0.8
175.03990	3.4
179.03493	1.0
180.04346	1.0
187.04062	0.6
191.07140	1.2
193.05096	2.0
195.06676	1.8
217.05174	0.7
235.06143	1.7
279.06778	0.6
289.07419	0.5
294.09143	0.7
307.08215	1.1
327.09021	0.8
327.12311	2.7
353.10400	2.1
357.13669	0.9
369.13657	0.9
389.12366	1.1
409.26627	0.5
453.12103	2.0
469.13449	1.2
487.14633	4.9
583.16974	0.5
615.17303	1.3
633.18195	3.6
645.18140	1.2
663.19293	9.0
664.19727	1.6
786.18811	0.6
809.23065	15.9
810.23523	3.3
823.26068	0.6
841.24921	0.8
859.26703	2.4
863.24023	0.7
957.29230	1.1
1005.30017	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	1007.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57523	6.6
71.01400	4.6
84.71345	2.2
90.76498	1.9
93.03471	2.6
113.02522	3.3
115.83367	2.3
117.03475	43.3
119.05042	58.7
121.02998	6.8
132.02197	6.8
133.03000	9.9
133.06573	2.1
134.02864	3.4
134.03778	26.3
135.04596	5.5
145.02963	100.0
147.04582	6.0
149.06172	9.0
160.01695	38.7
161.02444	5.4
163.04033	37.2
175.04015	35.3
176.04788	10.1
177.05501	3.9
178.02788	10.2
179.03445	3.2
185.02231	28.6
191.07129	10.8
193.05058	30.3
200.00912	20.0
205.05165	2.3
215.03326	13.5
229.05182	2.7
235.06174	19.7
257.04324	6.1
259.06033	2.3
265.07297	7.1
274.03851	2.5
299.05478	3.9
317.06473	3.4
334.42538	2.3
362.61145	2.4
471.46609	2.5
505.11224	10.8
667.16846	5.4
675.60956	2.4
685.18085	6.3
759.38898	2.7
770.71625	2.4
813.20984	5.4
831.21686	9.3
843.21100	5.6
861.22137	35.3
862.23193	6.1
1007.26068	78.7
1008.26379	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	1009.189
Annotation	Unknow
Peak:m/z	Relative Intensity
73.62640	0.6
93.03471	0.8
98.72198	0.7
100.88098	1.2
107.01405	1.9
109.03027	1.0
109.92248	0.7
124.01679	1.7
125.02454	1.5
135.00906	1.1
137.02475	2.8
151.00383	6.3
161.02469	0.8
163.00320	1.8
164.01166	2.6
169.01440	1.5
178.99867	5.2
214.02718	5.9
215.03539	1.4
242.02260	4.4
243.03055	4.4
244.03418	0.8
255.03003	2.3
259.02554	6.4
270.01776	5.7
271.02512	37.9
272.02969	3.3
272.05460	0.8
287.01999	22.6
288.02451	2.6
300.02725	6.6
301.03491	4.4
316.02261	90.0
317.02676	10.2
475.08920	8.3
491.08441	1.5
533.09418	100.0
534.09717	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	101.0245
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
52.62280	2.0
55.01868	6.9
57.03452	100.0
59.01377	10.4
69.10911	10.1
69.11342	9.8
71.01381	8.0
73.02951	23.4
74.03310	2.6
78.26102	2.2
83.01395	3.0
95.85600	2.2
101.02454	61.5
101.03124	3.8
101.92480	5.6
102.05616	2.6
115.92136	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	101.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62280	2.0
55.01868	6.9
57.03452	100.0
59.01377	10.4
69.10911	10.1
69.11342	9.8
71.01381	8.0
73.02951	23.4
74.03310	2.6
78.26102	2.2
83.01395	3.0
95.85600	2.2
101.02454	61.5
101.03124	3.8
101.92480	5.6
102.05616	2.6
115.92136	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	1012.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02951	0.4
72.00900	1.0
72.04555	0.3
74.02476	11.2
78.97665	0.3
79.74300	0.3
81.04570	0.8
82.02973	1.5
82.93060	0.3
84.04552	0.4
86.02484	3.6
86.06122	0.8
86.99120	1.1
87.05649	2.2
88.04044	0.8
90.00195	1.1
96.04573	0.4
97.04079	1.1
99.05650	10.3
100.00392	0.4
101.07214	1.6
102.05611	1.6
107.06142	1.0
109.04080	2.3
109.07723	0.3
110.02547	0.3
111.05632	1.3
112.04052	1.3
113.03584	0.5
113.07198	0.3
116.01770	1.2
116.61471	0.3
120.01243	0.4
123.05662	1.3
124.04048	0.7
125.03582	1.2
126.01956	0.4
127.05149	2.0
128.03552	30.6
129.03897	0.8
129.99675	0.5
131.04700	0.4
135.05670	3.5
137.07184	0.5
141.06688	1.9
143.04634	37.8
144.04944	0.9
145.06203	1.8
146.04596	3.4
153.06693	3.1
155.08177	0.4
160.00745	10.0
166.09862	1.4
167.04648	2.9
167.08330	1.7
169.04172	0.3
170.03334	1.1
171.04092	0.4
171.07770	0.5
177.03397	3.8
179.03218	0.6
179.04654	8.1
180.04890	0.3
181.06177	1.1
184.10901	0.4
185.05681	1.4
188.00125	0.3
192.07774	1.2
197.05705	0.8
198.08826	0.7
209.11865	1.8
210.08855	8.2
211.09071	0.3
228.09801	0.5
242.07849	0.8
254.07814	10.6
255.08304	0.5
272.08887	18.1
273.09079	0.9
288.06589	6.3
306.07663	100.0
307.07962	5.1
950.45404	0.3
963.42523	0.3
980.42371	0.5
1012.45453	2.5
1013.44482	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	1015.2887
Annotation	Lapathoside B
Peak:m/z	Relative Intensity
90.58053	1.3
104.94555	1.0
117.03481	27.1
118.03751	1.3
119.05043	8.2
125.02449	2.8
132.02176	42.0
133.02946	3.4
134.03757	12.4
135.04539	2.3
139.04012	1.3
141.96262	1.0
145.02959	63.0
146.03310	1.5
149.06094	2.6
151.77049	1.1
160.01666	100.0
161.02435	8.6
163.03998	2.8
163.74442	1.1
169.01405	1.8
175.04005	83.4
176.04500	4.3
178.02669	2.5
179.03503	2.8
191.07028	1.4
193.05074	9.4
217.04970	2.1
281.29285	1.1
295.08197	1.3
303.04187	1.2
310.70633	1.1
337.09464	1.4
483.12924	3.4
663.18951	1.7
675.19427	3.3
693.20929	6.4
821.22675	4.1
839.24115	24.4
840.23883	5.2
869.25140	3.8
1015.28442	14.3
1016.28131	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	1015.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	1.2
72.07452	0.7
76.77073	0.7
87.00858	1.1
88.98828	2.3
89.03990	0.8
104.02669	0.7
110.73476	0.8
117.03479	33.2
118.03822	0.8
119.05027	8.1
121.02904	0.8
132.02185	37.4
133.03033	3.9
134.03755	15.6
135.04575	3.2
136.01752	0.6
137.02492	0.9
145.02971	63.2
146.03300	2.6
147.04492	0.7
149.06096	1.9
160.01675	100.0
160.67995	0.6
161.00995	1.0
161.02458	12.1
163.04001	4.7
175.04021	79.0
176.04390	3.1
177.01833	0.7
178.02713	2.8
179.03484	2.9
182.67296	0.7
190.54919	0.6
191.07140	1.7
193.05072	10.7
198.07649	0.6
217.05165	1.5
235.06183	2.7
247.06592	0.7
265.07205	1.2
295.08289	1.4
483.13043	3.1
513.13745	0.8
645.18256	3.8
663.19092	3.0
675.19354	3.1
676.19647	1.0
693.20691	4.3
821.23004	8.7
822.23523	2.3
839.24109	20.5
840.24274	3.7
850.66840	1.0
869.25751	4.5
1015.28784	17.3
1016.28851	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	1015.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82045	7.1
71.01396	29.5
72.69486	2.6
73.02959	7.9
78.37406	2.7
83.05029	7.1
85.02969	8.1
87.00877	3.8
89.02444	19.0
91.07224	3.6
95.05040	3.1
96.96049	8.5
97.02962	5.5
97.06610	2.7
99.00872	3.6
101.02449	18.0
113.02502	9.7
115.07629	3.3
119.03545	7.0
125.02441	6.5
125.09721	6.0
127.07755	3.4
143.03545	3.5
146.24858	2.7
147.13647	2.5
153.09238	12.9
161.04550	6.1
162.69815	2.8
163.11319	5.6
165.12962	3.1
171.10301	32.8
179.05667	8.3
185.11829	6.0
197.11853	9.1
209.11838	49.0
211.13458	5.8
213.14943	3.3
219.05307	3.1
235.08249	5.2
238.12050	4.3
247.20615	3.4
263.20059	5.3
289.18146	11.3
291.19690	33.3
307.19162	78.9
307.22406	5.9
308.19543	5.7
309.20737	100.0
310.21164	9.8
325.20212	46.1
326.20593	3.5
327.21747	10.7
384.05942	2.8
397.13480	32.2
415.14767	11.6
671.57654	3.5
675.45148	3.3
687.32257	7.5
689.33087	3.8
705.33441	19.4
706.33038	3.5
707.34979	8.7
723.34161	6.8
928.45972	6.7
997.53815	18.0
998.53247	4.9
1015.53992	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	1015.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52392	1.1
71.01390	21.8
72.99301	2.2
73.02948	3.8
80.02682	1.1
81.03471	2.3
83.01404	2.1
83.05035	4.1
84.02156	1.1
84.21980	1.0
85.02963	5.9
87.00868	4.0
88.61031	1.0
89.02454	15.7
95.01398	1.9
95.05051	2.0
96.96010	2.4
97.02959	3.0
99.00949	1.2
99.04533	2.0
101.02448	16.3
103.19786	0.9
109.02962	1.4
109.06590	1.4
113.02480	8.7
115.07670	2.3
119.03500	4.0
123.04498	1.9
123.08154	1.0
125.02474	6.2
125.06007	0.9
125.09755	5.1
127.07678	2.1
127.11282	1.0
135.08154	2.9
137.09784	1.6
138.29378	1.0
141.01901	1.1
143.03529	2.3
151.11220	1.1
153.09218	16.2
155.10733	1.9
161.04544	3.7
163.11278	7.2
165.09146	1.3
165.12845	8.9
171.10298	29.4
178.10017	2.7
179.05623	7.4
179.14409	2.0
181.12350	2.4
185.11816	3.5
191.10764	1.3
193.16008	2.2
197.11838	4.7
207.10269	2.0
209.11847	46.1
210.12154	1.6
221.06668	1.8
221.11974	1.1
223.13326	1.9
227.12817	1.6
235.08238	4.1
236.10570	1.3
238.12294	1.3
245.19066	3.2
247.20680	5.4
263.20135	1.2
273.18628	2.3
289.18094	11.1
291.19684	69.0
292.19998	4.3
297.20596	2.8
307.19180	65.9
308.19513	4.2
309.20746	100.0
310.21069	7.4
325.20230	34.0
326.20514	2.4
327.21768	2.8
351.21783	1.6
372.92462	1.1
379.12537	1.5
397.13547	32.9
398.13834	1.3
415.14627	15.5
467.31339	1.1
569.24792	1.1
599.38977	1.5
687.32007	5.6
705.33435	15.8
706.33606	3.3
723.34259	2.5
871.43585	1.4
928.46313	3.7
929.47064	1.2
979.51849	2.9
997.53986	13.2
998.53571	4.4
1015.55475	4.8
1016.55292	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	1017.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03430	1.6
83.01386	2.8
89.03970	1.2
93.03467	1.7
97.02961	2.4
105.03486	1.0
107.01365	1.2
107.05048	2.2
109.02969	13.0
117.03512	1.7
121.02982	2.7
121.78792	0.6
123.00879	0.8
123.04529	7.1
125.02462	100.0
126.02789	3.6
131.05049	1.2
133.02974	6.3
135.04550	3.7
137.02449	11.7
139.04028	1.0
145.02982	2.3
146.03784	1.1
147.04547	1.4
149.02466	4.0
150.03159	0.9
151.04018	11.1
159.04558	5.8
161.02457	26.4
161.06091	3.5
162.03075	1.9
163.00351	4.4
163.04037	4.0
164.01160	6.6
165.01912	6.4
167.03549	2.3
168.92816	0.8
169.01451	11.2
170.01744	0.9
171.04552	0.8
173.02411	1.0
173.06163	1.2
174.03197	1.4
175.04019	14.7
176.01228	0.8
176.04362	1.0
177.01956	13.2
177.05609	1.6
179.03561	2.3
183.04550	1.3
185.06046	1.5
187.03979	4.4
188.04784	1.7
189.01952	1.9
189.05576	1.2
193.01443	1.6
193.05028	1.2
197.06099	1.0
199.03979	6.8
201.01860	2.0
201.05547	3.4
202.02504	0.8
203.03525	3.6
203.07137	3.9
205.01425	0.9
205.05077	3.8
209.06206	1.0
211.04008	2.6
213.05650	1.5
214.02762	1.7
215.03508	1.2
217.01448	0.9
217.05093	7.1
219.02998	3.2
219.06459	0.8
225.05562	2.1
227.03513	3.9
227.07086	1.6
228.04132	0.8
229.05136	2.4
231.03001	1.0
239.03662	0.8
241.05135	1.4
243.03006	20.3
244.03534	2.0
245.04544	10.9
245.08241	6.0
247.06281	0.9
253.05013	2.0
255.03040	8.4
256.03574	3.8
257.04593	1.2
261.04053	5.3
267.03189	0.9
269.04599	5.6
270.05045	1.0
271.06021	4.0
273.04114	1.7
281.04321	1.6
282.01819	1.3
283.02463	2.2
285.04199	3.9
287.05618	19.2
288.06000	1.3
289.07202	25.8
290.07507	2.0
295.05829	0.9
297.04288	1.5
299.05594	1.7
300.99890	1.0
303.05228	2.1
311.05563	0.8
321.07761	0.9
329.06897	1.3
339.08841	1.6
341.06726	1.5
365.06418	0.9
379.08450	1.0
389.06668	3.2
395.07254	0.9
405.06204	4.0
407.07748	35.9
408.08252	3.9
413.08890	4.5
423.07315	3.1
425.08835	2.1
433.09412	2.3
441.08322	7.9
442.08749	1.1
449.08826	5.6
451.10376	7.3
452.11102	1.0
525.08264	3.8
526.08923	1.0
533.11359	0.9
543.09027	1.1
559.10016	3.2
569.10803	3.9
575.12341	4.4
577.12512	4.6
578.12634	0.7
587.12463	0.9
603.11157	4.2
677.12018	2.5
695.14252	5.6
711.15521	1.0
713.14642	1.3
729.14685	12.4
730.14764	2.8
739.17108	1.0
771.15906	1.7
775.91766	0.8
847.15759	4.6
848.15735	1.4
865.17810	1.1
891.18683	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	1017.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55267	0.7
81.03453	1.9
83.01393	5.3
90.43983	0.7
93.03474	1.9
95.01397	1.2
97.02968	2.5
99.04518	1.1
107.01429	1.2
107.05040	1.6
108.02219	0.7
109.02971	13.1
111.00918	0.7
117.03509	0.7
119.05061	0.9
121.02968	2.4
123.00914	1.2
123.04529	7.1
125.02464	100.0
126.02801	2.2
131.05063	1.0
133.02992	6.6
135.04546	2.9
137.02463	12.4
139.04044	1.7
145.02957	3.0
146.03761	1.5
147.04465	1.2
149.02422	4.4
149.77805	0.7
150.03194	0.9
151.04022	12.2
154.87782	0.6
155.05057	0.9
159.04558	4.9
161.02463	32.6
161.06049	3.6
162.03087	1.7
163.00421	4.1
163.04007	4.1
164.01186	6.3
165.01965	6.0
167.03566	3.4
169.01442	8.3
170.01802	0.8
171.04561	0.8
173.06143	1.6
174.03285	2.1
175.04012	12.9
177.01956	14.9
177.05585	2.1
179.03572	1.9
183.04541	1.5
185.06062	1.9
187.04041	4.9
188.04794	1.7
189.01985	2.8
189.05457	0.9
191.03537	1.2
193.01512	1.6
197.06210	0.7
199.04012	6.1
201.01910	1.4
201.05627	3.3
203.03520	3.6
203.07199	3.8
204.04295	0.9
205.01524	1.1
205.05124	3.1
211.03998	1.4
213.05603	1.5
214.02800	0.8
215.03532	1.3
217.01508	0.8
217.05029	6.6
219.03015	3.3
225.05614	2.3
227.03542	2.2
227.07170	1.5
228.04306	1.7
229.05110	3.0
231.02992	1.7
237.05563	0.9
239.07086	0.9
241.05115	2.2
243.03009	24.0
243.06647	1.4
244.03554	2.5
245.04582	13.3
245.08192	6.9
247.05991	0.9
253.05072	2.0
255.02974	9.4
256.03867	3.6
257.04630	2.5
261.03986	3.5
269.04581	8.5
270.05057	0.7
271.06207	5.0
273.04050	2.3
279.03070	0.8
279.06732	0.9
281.04599	3.5
282.01825	1.2
282.05069	1.1
283.02567	3.7
283.05823	1.2
284.03241	0.8
285.04092	4.7
287.05646	21.6
288.06317	0.9
289.07205	23.3
290.07458	2.1
293.04800	1.1
295.02621	0.9
295.06073	1.0
297.04190	1.6
297.07574	0.9
299.05630	1.7
303.05240	2.1
311.05786	1.4
315.08990	0.7
329.06830	1.2
339.08701	1.0
341.06882	1.7
348.64279	0.7
359.88910	0.7
373.03427	1.0
374.04523	0.7
381.09726	1.1
381.70074	0.7
387.05099	1.1
389.06683	3.0
395.07608	4.7
405.05905	3.4
407.07751	35.7
408.08319	4.0
413.08755	3.1
423.07193	3.1
425.08908	2.2
433.09375	2.6
441.08392	6.6
442.08911	1.0
449.08719	7.0
450.09283	1.0
451.10315	8.2
525.08459	4.2
539.10315	0.8
543.09583	1.6
557.11115	1.3
559.10095	3.3
561.10449	1.0
569.10565	3.6
575.11884	4.4
577.13550	4.8
578.14130	1.1
603.11609	3.8
619.12494	1.2
669.92273	0.9
677.08728	1.4
695.13757	4.6
696.14441	1.5
711.14093	1.2
713.16351	1.3
721.14410	0.8
729.03033	1.3
729.14777	11.7
730.14948	2.6
736.88782	1.0
739.15796	1.8
756.09088	0.9
771.15930	2.0
847.15387	5.7
848.15466	1.0
865.17877	2.1
891.17896	2.0
914.59332	0.9
1017.20508	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	1018.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.5
76.23469	0.5
84.97324	0.4
85.02948	0.4
87.00896	0.7
89.03979	1.1
90.04348	0.4
92.70968	0.4
93.03454	0.5
97.02900	0.5
97.06357	0.5
98.21705	0.9
101.02452	0.6
109.96999	0.4
112.71528	0.5
113.02422	0.4
117.03487	47.6
118.03061	0.8
118.03825	9.4
119.04158	1.2
119.05041	10.7
120.05367	2.3
132.02191	33.5
133.02464	11.8
134.02707	2.0
134.03760	10.6
135.04250	2.8
137.02457	1.0
145.02975	100.0
146.03305	19.2
147.03540	4.8
147.04652	0.7
148.03746	0.6
149.06096	2.5
150.03300	0.6
150.06444	0.7
159.04475	0.5
160.01683	75.7
161.02029	30.9
162.02145	8.8
163.02660	1.4
163.04048	6.7
164.04376	0.8
165.01917	0.5
165.05629	0.6
173.06133	0.8
175.04025	58.4
176.04362	27.1
177.04521	7.7
178.02730	1.8
178.04843	1.2
179.03522	2.2
180.03839	0.7
187.04053	0.8
191.07155	1.1
192.07584	0.6
193.05081	7.9
194.05435	2.9
195.05434	0.7
217.05090	1.9
218.05432	0.5
231.06735	0.5
235.06107	2.3
236.06564	1.0
265.07013	0.9
267.07501	0.4
295.08392	0.6
296.08578	0.7
300.40045	0.4
323.07761	0.5
337.09738	0.5
453.12222	1.4
483.13208	1.2
484.13583	1.9
485.13730	1.5
486.14291	1.1
645.17828	0.6
646.19604	0.6
663.19720	1.6
664.20026	0.5
665.20221	1.1
666.20728	0.7
677.20166	1.4
678.20404	1.0
694.20947	1.6
695.20697	2.2
696.21155	2.7
791.21460	1.1
809.22980	11.0
810.23224	2.6
823.23950	2.2
824.23602	2.4
840.24512	3.7
841.24719	10.6
841.40027	0.8
842.25067	16.6
843.25336	0.9
854.25903	0.6
870.07422	0.4
870.25018	0.8
871.26105	1.3
872.26630	2.6
955.26703	14.9
956.27338	4.0
1017.30054	1.7
1018.08429	0.7
1018.29877	15.2
1019.30182	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	1018.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	0.3
74.95560	0.2
78.43779	0.3
85.49367	0.3
89.03972	0.6
90.23517	0.2
90.32133	0.3
93.03490	0.4
94.50900	0.3
114.31771	0.2
117.03476	52.7
118.03819	2.0
119.05039	8.8
120.05419	0.3
130.04214	0.2
132.02177	1.2
133.02951	1.0
134.03755	2.2
135.04524	0.9
137.99149	0.2
145.02968	100.0
146.03304	3.2
147.04495	0.3
149.06065	0.4
160.01663	3.6
161.02469	2.7
163.04015	5.6
170.73528	0.3
171.04561	0.4
175.04024	4.4
176.04726	0.8
179.03502	1.0
187.04022	1.1
191.07236	0.6
193.05090	2.2
217.04973	0.6
235.06160	1.6
295.08328	0.4
307.08090	0.5
307.32294	0.3
309.25323	0.3
323.07773	0.4
400.04440	0.2
426.06598	0.3
453.11984	1.6
520.74597	0.3
562.32379	0.3
615.17834	0.4
620.45679	0.3
633.18292	0.5
645.17969	0.6
663.19141	2.3
664.20679	0.4
779.21570	0.7
791.22040	1.5
809.23016	20.7
810.23444	4.3
955.26703	31.6
956.27002	7.6
956.45349	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	1018.261
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.4
87.39317	0.3
89.03999	0.6
89.18856	0.3
93.03452	0.5
107.64632	0.3
112.63301	0.3
117.03482	46.8
118.03825	1.6
119.05045	8.3
120.05373	0.3
132.02185	1.3
133.02939	1.0
133.06694	0.3
134.03752	2.1
135.04514	0.9
145.02971	100.0
146.03299	4.0
149.06044	0.3
150.03242	0.3
159.04536	0.3
160.01668	4.7
161.02484	2.2
161.06090	0.3
163.04018	6.3
165.01920	0.5
165.05597	0.4
175.04031	4.3
176.04514	0.5
178.02647	0.3
179.03511	1.1
187.04041	1.0
191.07118	0.5
193.05093	1.8
194.05350	0.3
217.05180	0.5
225.07999	0.4
229.67155	0.4
235.06126	1.6
282.24878	0.3
289.07269	0.4
295.08261	0.6
307.08173	0.5
323.07803	0.4
453.11609	1.5
469.13684	0.3
487.14658	0.3
517.10547	0.4
566.15631	0.3
645.17688	0.5
663.19379	3.0
664.19141	0.4
779.22180	0.6
791.21619	1.1
792.22479	0.4
801.28473	0.3
809.23083	19.9
810.23492	4.6
955.26752	25.8
956.27008	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	1021.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82194	1.4
70.82518	1.1
76.67066	0.8
82.56927	1.0
88.23795	0.8
92.05070	11.4
117.03481	53.8
118.03812	2.7
119.05041	9.0
132.02200	13.1
133.02982	2.8
134.03752	6.5
135.04532	1.4
136.04068	9.3
139.45889	0.9
145.02971	100.0
146.03322	3.5
149.06133	1.6
160.01672	39.6
160.70308	0.9
161.02493	7.0
163.04027	6.0
172.60211	0.8
175.04016	27.3
178.02779	1.1
179.03494	2.5
184.07693	1.0
193.05080	5.9
217.05119	1.4
235.06186	1.8
336.06671	1.4
397.14053	11.5
506.23981	1.1
592.05560	0.9
645.19293	1.2
663.19556	1.8
693.20264	1.0
791.21368	2.3
792.21442	1.2
809.22961	11.0
810.22931	2.3
821.21423	1.5
839.24219	13.3
840.24054	3.2
985.27759	27.8
986.28412	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	1023.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	5.3
71.26163	1.1
75.00877	1.3
76.20058	0.7
83.01372	0.9
84.02144	1.1
85.02959	60.5
85.43659	0.6
86.03295	1.4
87.00877	0.7
89.02451	0.9
103.00390	1.1
123.00890	1.4
125.02457	4.7
129.01956	2.7
133.01448	4.1
135.04543	3.2
147.03027	6.2
149.02313	0.7
159.04546	1.3
165.41139	0.7
169.01448	4.1
173.02388	1.2
175.03995	1.9
177.01953	1.2
179.03514	1.7
185.02518	1.2
191.02010	18.5
201.02000	1.9
203.03497	4.3
205.04968	1.1
209.03041	100.0
210.03389	3.5
217.01573	1.3
219.03050	1.4
221.04538	1.1
229.01393	3.9
231.03081	5.2
237.00513	1.1
245.00899	1.3
247.02483	0.9
249.04013	5.7
257.00946	4.7
258.01657	1.1
273.00623	1.0
275.01990	22.2
275.04962	1.2
276.02280	1.5
283.99722	1.1
293.03250	1.2
300.99945	32.2
302.00253	2.1
318.31458	0.9
319.01038	1.2
352.86752	0.9
353.05139	1.6
371.06277	9.7
372.06921	0.9
454.21866	0.8
511.37421	0.7
589.08356	0.9
598.13928	0.8
607.09381	1.3
613.04480	1.2
615.04901	1.5
632.07684	0.7
633.07367	41.5
634.07843	7.2
651.08209	8.3
652.08490	1.3
966.74469	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	1023.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	2.9
72.97204	1.6
81.24000	1.3
85.03001	2.0
94.23375	1.6
95.01407	2.0
103.42471	1.4
107.01423	7.6
109.02956	1.5
113.02463	2.3
123.00886	6.8
125.02458	46.7
126.02782	2.2
132.79189	1.4
136.98889	2.0
139.00385	1.9
140.01157	1.5
151.00394	4.0
167.03397	1.4
168.00656	3.3
169.01439	69.0
170.01788	3.1
181.01462	1.5
190.02870	1.4
193.01419	3.0
211.02518	5.5
229.22032	2.2
241.03549	1.7
247.02483	1.9
249.04214	2.0
275.02008	5.9
295.04846	2.2
297.06320	1.7
301.00021	7.7
313.05685	27.3
314.05966	2.2
337.59451	1.5
384.08459	1.6
465.06750	100.0
466.07126	13.2
467.07227	3.1
635.08978	24.8
636.09454	5.3
637.97705	1.5
680.04663	1.5
746.14465	1.4
755.07202	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	1025.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00899	2.4
80.87967	0.7
91.78290	0.7
92.05073	50.2
93.05416	1.6
98.02487	21.5
111.03288	16.2
116.05058	1.8
130.06651	19.9
131.05034	2.0
136.04074	28.7
141.07051	1.3
144.04576	1.5
145.02933	1.0
146.06142	2.1
147.04552	12.8
156.08202	1.8
158.09772	1.1
159.08185	1.2
164.07185	29.2
173.07188	2.6
174.05629	35.7
175.05965	0.9
184.07693	16.7
202.08736	10.5
210.93808	0.8
218.02499	1.6
218.04602	30.8
219.04935	1.6
228.82686	1.2
234.56538	0.8
246.07739	29.1
247.08031	1.2
321.12753	1.4
365.11499	2.1
383.12527	100.0
384.12909	8.9
398.63928	0.9
599.09924	1.0
614.35352	0.9
661.44037	0.9
713.63489	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	1027.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03989	1.5
117.03477	60.5
118.03799	2.1
119.05029	13.2
132.02182	15.3
133.02969	15.5
134.03758	9.9
135.04549	5.2
145.02968	100.0
146.03311	3.3
147.04550	1.2
149.06114	1.5
160.01675	32.1
161.02461	31.5
161.06070	0.8
162.02827	1.5
163.04018	7.8
165.05698	0.7
175.04015	20.5
176.04498	0.8
177.05597	1.4
178.02777	0.8
179.03548	4.2
191.07179	0.6
193.05008	5.2
193.71049	0.6
202.02629	0.6
213.05829	0.6
217.04994	1.0
222.76077	0.8
235.06215	1.9
238.67485	0.6
257.76382	0.6
687.19757	1.7
705.20270	3.2
706.21008	0.6
809.21698	0.8
833.22913	2.0
839.24048	2.3
851.23901	7.6
852.23639	1.8
863.24042	1.1
865.25415	2.2
881.25159	9.2
882.25647	2.8
985.27631	2.7
986.28076	0.8
1027.28882	32.3
1028.28845	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	1027.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	1.0
87.00847	0.6
89.03972	0.8
93.03446	1.0
93.04722	0.4
104.02708	0.7
113.02455	0.5
117.03479	48.1
118.03841	1.2
119.05042	22.2
120.05373	0.9
121.03001	0.8
123.04560	0.6
130.04111	0.4
132.02190	43.3
133.03017	8.7
133.06621	0.5
134.03769	8.5
135.04594	2.1
137.02448	0.8
145.02971	87.2
146.03305	3.4
147.04526	0.9
149.06107	1.5
159.04549	0.5
160.01677	100.0
161.02463	17.1
162.02963	0.5
163.04027	13.5
164.04346	0.7
175.04021	69.0
176.04379	2.6
177.05556	0.4
178.02762	0.6
179.03506	2.0
179.59639	0.4
185.06036	0.5
191.07106	1.1
193.05060	4.8
217.05119	1.7
233.60031	0.4
235.06155	2.2
265.07172	0.5
289.07260	1.2
295.08383	0.9
307.08398	0.6
337.09573	0.5
453.11951	3.9
483.13480	0.4
505.02380	0.4
627.18018	0.5
629.17139	0.5
645.18536	1.1
663.19385	1.2
675.19824	1.0
687.19281	1.8
705.20557	3.8
791.22400	3.2
798.19147	0.5
809.23267	2.9
810.22693	0.5
821.23376	1.5
833.23260	3.1
839.24426	0.8
851.07336	0.8
851.24078	15.7
852.24292	3.2
865.25531	0.7
881.25067	8.2
882.25604	1.7
967.26733	4.7
968.27356	0.8
985.27106	1.4
1027.28882	29.1
1028.29102	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	1027.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.4
72.58220	0.1
76.63055	0.2
83.01361	0.2
85.02964	0.2
87.00880	0.2
88.98779	0.2
89.03970	0.6
92.14297	0.2
93.03468	0.5
104.78867	0.2
110.81128	0.2
113.02454	0.3
116.02676	0.3
117.03482	53.3
118.03822	1.6
119.05042	7.4
120.05376	0.2
121.02971	0.2
125.02470	0.2
132.02190	8.4
133.02998	1.9
134.03760	4.8
135.04578	1.6
137.02473	0.3
143.05042	0.4
145.02972	100.0
146.03308	3.7
147.04520	0.4
148.05383	0.2
149.06116	0.9
159.04547	0.5
160.01678	21.8
161.02470	4.6
161.06079	0.2
163.04028	4.0
171.04512	0.3
173.06104	0.6
174.03262	0.2
175.04022	17.4
176.04393	0.9
177.05589	0.4
178.02762	0.8
179.03525	1.5
185.06073	0.3
187.04041	0.6
191.07127	1.0
193.05084	4.2
194.05363	0.2
217.05020	0.9
221.04529	0.3
229.05057	0.5
235.06102	0.8
241.37660	0.1
243.25212	0.2
247.06119	0.3
259.06036	0.3
262.89056	0.2
265.07272	0.5
289.07230	0.3
295.08221	0.3
307.08197	0.3
319.08154	0.4
323.07910	0.3
337.09442	0.4
453.11920	0.9
483.13010	1.5
484.13605	0.2
629.15826	0.3
645.19000	0.3
663.19727	0.2
675.19946	0.3
687.19568	0.5
705.20428	2.1
706.20514	0.3
717.20343	0.4
735.21515	1.1
736.21552	0.2
791.22070	0.8
792.21991	0.3
809.23120	0.6
821.22864	2.3
822.23737	0.3
833.23346	0.6
834.24628	0.2
839.23846	1.4
840.24670	0.2
851.24030	4.1
852.24567	1.0
863.24335	0.8
881.25165	9.9
882.25372	2.3
967.26715	2.5
968.26917	0.7
985.27954	0.5
1027.28931	10.6
1028.29138	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	1029.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00923	1.2
92.05070	22.9
93.03468	1.4
98.02490	29.4
99.02796	0.5
107.01405	2.4
108.02186	0.7
109.02956	0.5
109.33741	0.4
111.03255	1.7
112.04069	2.3
119.05040	5.8
123.00932	0.6
125.02467	8.6
130.06639	9.0
131.05031	1.4
131.06992	0.5
136.04065	13.1
140.01158	0.8
144.04477	0.6
145.02950	0.6
146.06097	0.7
151.00404	1.6
152.90250	0.4
156.03085	0.5
157.06561	1.4
159.04576	0.5
161.04707	0.5
163.04004	4.0
168.00665	0.5
169.01440	10.6
172.07620	0.8
173.07176	1.9
174.05612	16.9
175.05870	0.6
176.03528	0.6
178.99890	0.6
180.06665	13.3
185.04796	0.7
199.03860	0.9
200.07162	7.0
211.02370	0.6
218.04623	12.2
218.08051	3.1
227.03539	1.0
238.30119	0.5
243.02986	3.4
243.79135	0.4
254.02219	0.8
255.03003	11.4
256.03442	0.7
262.04446	0.6
262.07217	12.3
263.07483	0.9
271.02496	22.0
272.02985	2.1
272.72675	0.5
280.39105	0.4
299.02023	5.7
300.02771	74.6
301.03168	6.3
313.05725	8.7
315.05121	48.3
316.05432	3.5
337.11862	0.5
381.11005	0.9
399.11990	57.0
400.12399	5.2
402.77972	0.5
462.08060	1.4
477.03403	0.7
477.10391	15.2
478.10547	1.2
493.54303	0.4
629.11511	100.0
630.11847	13.7
693.79297	0.5
740.35980	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	1029.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03974	0.9
93.03456	0.5
96.09762	0.3
101.02457	0.6
107.21468	0.3
113.02465	0.5
116.02616	0.4
117.03483	51.7
118.03822	1.9
119.05040	12.4
120.05377	0.5
121.03001	0.4
133.06601	0.4
143.05000	0.3
145.02971	100.0
146.03304	3.4
161.06129	0.5
163.04031	7.6
164.04286	0.4
173.02406	0.5
174.03276	0.9
175.04018	0.4
185.63077	0.3
187.04079	0.4
203.03482	0.6
217.05006	0.9
221.06136	0.5
228.95189	0.3
235.06050	0.8
237.05577	1.2
237.35277	0.3
249.05589	0.8
251.07274	0.8
265.05246	1.5
265.79559	0.3
267.06625	1.1
268.07251	0.4
277.04987	0.9
279.06601	0.4
280.07388	1.0
281.08173	0.5
282.08994	0.4
283.09927	0.4
289.07202	0.5
292.07574	0.4
293.04617	1.3
294.05389	1.1
294.08566	0.6
297.11429	0.3
307.08243	1.1
308.06964	2.1
309.07648	2.2
321.07562	0.4
323.05667	0.7
323.09210	3.8
324.09955	0.4
338.08026	0.4
339.08777	0.8
341.10425	1.0
353.10287	2.9
354.10571	0.5
383.11655	0.4
453.11896	1.3
487.14896	0.3
505.27786	0.4
627.42914	0.3
675.18787	0.6
805.23804	1.5
823.24725	1.7
824.25977	0.4
835.24792	0.4
847.24396	0.6
853.25897	3.2
854.26099	0.7
865.25610	5.3
866.25903	0.9
893.25244	1.6
894.24554	0.4
939.29089	0.4
951.26685	1.0
957.27966	1.0
969.27124	1.3
970.27734	0.6
999.29321	14.7
1000.29468	3.0
1011.09833	0.6
1011.29395	8.2
1012.29724	2.1
1029.29761	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	1030.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02483	8.1
77.68455	1.1
82.02978	1.4
85.30817	1.0
86.02475	3.1
86.06130	1.2
87.05637	2.3
91.72543	1.0
97.04063	1.3
99.05655	8.8
102.05527	1.3
109.04073	2.0
111.54194	1.3
123.05659	1.4
124.03963	1.6
125.02406	1.3
125.03535	1.1
127.05142	1.6
127.79032	1.3
128.02606	1.5
128.03554	24.9
135.05615	2.7
141.06758	1.8
143.04637	29.8
146.04593	3.4
153.06689	1.9
160.00728	8.0
164.08246	1.1
167.04631	2.1
177.03381	3.7
179.04660	7.0
186.75594	1.2
210.08864	7.2
254.07805	9.6
272.08856	17.8
288.06598	7.3
306.07684	100.0
307.07922	5.2
449.70059	1.2
1030.50842	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	1030.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00896	0.9
74.02482	10.0
82.02996	1.6
85.02975	3.5
86.02483	3.7
87.05641	2.0
96.96007	1.3
99.05655	8.7
101.02483	0.7
101.07257	1.3
102.05614	1.6
109.04083	1.9
111.03288	0.7
112.04063	1.5
116.92851	0.9
117.59996	0.6
118.32783	0.6
123.05661	0.8
125.03540	0.9
126.01912	0.7
127.05138	2.0
128.02589	1.2
128.03555	24.4
135.05617	3.1
141.06718	2.1
143.04634	34.8
145.06236	1.7
146.04585	4.3
151.61459	0.6
153.06685	3.0
160.00739	9.3
166.09833	2.0
167.04619	1.9
177.03389	3.4
179.04608	9.5
181.06212	1.6
184.10931	0.7
185.05679	1.4
191.02008	3.7
192.02405	0.7
197.05716	1.4
209.11821	1.1
210.08882	6.9
225.14970	1.0
238.34715	0.6
242.07832	0.7
245.19077	0.7
254.07854	9.9
272.08908	19.5
288.06570	8.1
289.18170	0.9
306.07675	100.0
307.07870	4.5
307.19128	0.9
309.20862	1.3
341.23355	3.1
342.23541	1.6
377.48380	0.7
397.13358	0.8
623.04315	0.8
981.65851	0.9
1030.51648	1.8
1040.72266	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	1031.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99342	2.1
73.02943	2.6
78.40446	2.0
80.02684	2.0
81.03461	2.8
83.05036	5.2
83.58331	2.0
85.02995	3.7
87.00869	5.1
89.02475	15.2
95.05006	2.4
96.96027	7.6
97.06613	2.8
98.22401	9.8
101.02468	16.6
113.02455	7.0
119.03529	3.7
121.03001	2.0
123.08198	2.6
125.02434	5.6
125.09718	7.4
127.07666	4.6
128.03549	2.0
135.08165	5.3
141.09149	2.2
143.03537	3.4
143.04617	2.4
153.09215	20.7
161.04539	1.9
163.11282	4.8
165.12863	3.5
166.55156	1.7
171.10272	38.9
178.10011	3.6
179.05618	6.8
185.11850	6.7
191.10690	2.9
197.11864	11.6
201.01797	2.2
201.11400	1.8
209.11842	70.8
211.13466	2.4
220.35451	1.9
221.06682	3.4
235.08296	4.3
238.12000	3.0
245.19122	4.4
260.72391	2.2
263.20102	1.9
289.18213	14.8
291.41891	2.1
297.20737	2.8
298.20615	1.8
305.17648	2.4
307.19189	100.0
308.19415	8.6
309.20450	2.1
325.20221	47.9
326.20486	4.0
327.21725	2.7
397.13571	29.4
398.13770	2.5
415.14575	7.9
551.23285	2.1
569.24213	3.7
687.32153	9.0
705.33350	22.9
706.33679	4.6
723.34387	5.8
781.75122	2.2
859.42480	6.4
860.43195	2.8
926.45007	3.4
944.45709	3.6
995.51923	8.6
996.52100	3.6
1013.53290	15.4
1014.52502	5.4
1031.53076	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	1033.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01868	1.1
81.01488	1.0
81.03475	1.3
83.01397	4.8
93.03482	1.7
95.01368	1.1
95.90154	1.0
97.02982	2.2
98.22581	1.6
105.03508	1.7
105.43747	1.1
107.05034	2.1
109.02959	10.5
121.02969	3.2
123.00907	2.1
123.04543	6.8
124.01741	1.8
125.02461	100.0
126.02790	3.1
131.05063	1.8
133.02959	5.1
135.04550	3.2
137.02469	16.0
139.04025	2.5
145.02954	2.3
149.02475	6.9
151.04033	10.0
159.04526	3.4
161.02464	22.1
161.06053	1.6
162.03134	2.2
163.00409	4.3
163.03996	4.7
164.01144	3.5
165.01941	3.4
167.03529	3.1
169.01474	16.9
174.03166	1.9
175.04016	18.9
177.01941	39.0
177.05516	1.5
178.02371	1.5
179.03461	2.4
183.04497	1.6
187.04044	6.5
188.04736	1.7
189.01903	2.4
189.05580	2.1
191.03497	2.9
196.90430	1.1
199.04045	7.3
201.01949	3.7
201.05594	1.9
203.03444	2.6
203.07144	2.8
205.04988	5.5
211.04034	2.9
212.04713	1.3
213.05566	2.5
215.03404	2.1
215.06958	1.9
217.01486	1.4
217.05087	7.3
219.03008	3.8
225.05524	1.4
227.03539	3.3
229.04895	5.3
231.03012	3.4
239.03488	1.7
241.05017	4.5
241.20554	1.1
243.02974	22.4
244.03307	2.6
245.04704	6.4
245.08247	5.0
253.04918	1.4
255.02948	8.0
256.03720	2.9
257.04550	3.4
261.04050	9.5
267.03113	2.0
269.04559	4.1
273.04056	10.1
278.28485	1.3
281.04688	2.9
283.02451	3.1
284.02954	1.3
285.04102	28.8
286.04553	2.6
287.05655	10.3
289.07269	21.7
290.07611	2.0
293.04633	1.8
296.03418	1.3
299.05688	5.1
303.05054	15.5
304.05496	1.5
309.04028	2.2
313.05890	1.8
323.05441	1.2
325.03604	2.0
325.07153	2.1
327.05130	2.4
329.02759	1.2
339.08743	1.5
383.07745	1.9
387.05023	1.7
393.06216	1.8
405.06131	4.9
407.07782	14.8
411.07278	15.7
412.08051	1.5
423.07278	5.3
425.08875	5.1
429.08206	3.7
441.08368	1.8
447.07123	3.0
449.08572	1.7
451.10510	8.4
457.08908	1.5
465.08041	6.5
525.08752	2.5
531.09290	2.1
541.07648	1.8
543.09344	4.2
559.09680	1.6
567.09174	1.4
573.09961	5.4
575.10681	6.5
577.13635	6.9
585.10706	1.9
591.11719	6.1
603.11768	2.3
693.12439	3.7
695.13971	6.3
711.13269	4.4
737.14661	1.8
755.15363	1.4
814.72437	1.3
863.17780	1.9
881.18665	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	1034.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02966	1.7
95.01384	11.3
97.02887	1.4
107.01385	1.5
109.02956	2.3
117.03471	3.7
119.04972	1.6
123.00902	26.3
125.02465	15.2
125.52258	1.3
129.03506	2.9
133.02937	2.2
135.04567	1.8
137.02490	2.9
139.00356	2.4
145.02942	6.5
147.04541	5.4
149.02429	1.7
157.02960	4.5
159.00903	1.4
159.04491	2.0
161.02463	5.5
163.00368	3.0
163.03990	6.3
165.01926	3.3
166.99864	9.0
168.00436	1.4
169.01419	11.3
171.00963	2.3
173.02463	8.2
175.04015	7.0
177.01918	3.4
185.02435	2.9
189.01933	4.8
190.02757	3.0
191.03510	15.2
193.01540	1.4
199.00391	2.2
200.01152	2.1
201.01936	14.4
203.03511	8.1
209.00891	3.5
217.01430	9.0
219.02998	7.6
226.99841	5.1
227.03558	1.5
229.01436	15.0
230.02182	2.9
231.03001	9.8
235.02443	2.8
245.00929	11.1
247.02493	34.9
248.02878	3.2
257.01065	1.7
263.01971	3.7
270.98804	3.0
271.44919	1.3
273.00461	21.3
274.00568	1.5
275.01984	5.4
291.01532	5.2
298.98404	11.4
299.99161	2.6
300.99905	11.4
316.99478	1.7
335.00430	2.1
403.03195	1.9
417.04224	1.4
435.05539	1.3
461.03397	1.3
587.06604	3.6
603.06378	4.0
605.07825	3.3
613.04736	100.0
614.05084	15.5
631.05774	84.1
632.06281	13.0
633.07538	2.6
690.35284	1.3
893.69897	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	1035.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95750	10.5
85.02930	0.4
95.01437	0.6
96.96023	100.0
98.21699	0.8
123.00870	1.3
124.01663	0.3
125.02456	5.6
145.02977	0.4
147.04538	0.8
159.04549	0.9
161.02512	0.5
163.04109	0.4
169.01445	6.2
175.04033	1.2
185.02441	0.6
187.04022	0.6
189.01862	0.5
189.05649	0.3
191.03510	0.8
193.01450	0.4
201.01968	1.1
203.03537	3.1
213.01970	0.7
217.01497	0.4
219.02943	0.7
228.73349	0.4
229.01396	3.2
230.02156	0.5
231.02974	3.4
245.00932	0.8
247.02470	1.1
248.03281	0.8
249.04059	8.5
250.04393	0.4
257.00980	2.6
258.01700	1.7
273.00415	1.0
274.00974	0.5
275.01996	24.9
276.02347	1.3
300.72119	0.4
300.99899	6.4
302.00208	0.4
313.05826	0.5
319.00983	0.5
419.06287	4.7
420.06631	0.7
463.05478	0.9
465.06628	1.7
488.52576	0.4
571.07300	1.1
589.08850	0.5
617.07941	3.2
635.08875	1.4
723.09229	0.4
741.09528	3.9
742.09760	0.4
785.08075	1.1
893.10797	5.0
894.10431	1.0
937.09943	6.2
938.09656	1.0
1063.22302	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	1035.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95726	2.2
83.01395	1.9
84.02193	2.0
85.02960	58.1
95.01402	11.1
96.01708	1.3
96.96022	23.8
103.00361	1.3
107.01375	2.4
111.04605	1.0
117.03466	3.3
119.05054	2.0
123.00897	22.0
125.02457	13.3
129.01935	4.5
129.03432	1.5
133.02979	2.7
134.03726	2.2
135.04536	4.1
137.02448	2.4
139.00357	2.8
141.01941	1.1
145.02937	6.7
147.00847	1.3
147.03035	10.2
147.04539	4.7
149.02354	1.9
157.02986	3.7
159.04472	1.4
160.01584	1.1
161.02457	6.1
163.00374	2.6
163.04033	3.6
165.01962	2.5
166.99881	8.9
169.01465	8.9
171.00949	3.1
173.02415	8.2
175.04037	6.9
177.01962	2.4
179.03496	2.9
185.02415	1.7
189.01964	3.8
190.02760	1.6
191.01968	34.6
191.03546	11.0
199.00444	2.8
200.01085	2.1
200.85942	1.2
201.01973	10.9
203.03563	8.2
209.01048	1.9
209.02983	3.4
214.02812	1.3
216.00574	1.7
217.01448	8.9
219.03004	5.8
223.04582	4.9
226.99921	4.0
229.01402	14.2
230.01936	2.3
231.02979	7.9
235.02412	2.2
244.03615	1.2
245.00999	6.3
247.02512	22.2
248.02617	1.3
249.03961	2.7
254.99287	1.8
257.00940	1.8
261.00528	1.8
263.01874	3.3
270.98877	3.3
273.00372	13.1
275.02051	10.8
283.99789	1.4
291.01468	4.7
298.98318	8.4
299.98914	2.9
300.99908	19.0
302.00406	2.0
316.99472	1.4
331.27847	1.3
335.00409	1.4
385.07617	9.9
386.07755	1.6
433.04355	1.4
461.03604	2.6
587.06390	3.4
603.06305	6.7
613.04749	100.0
614.04974	13.3
631.05829	54.0
632.05939	6.3
768.00916	1.3
893.10681	2.0
937.08826	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	1035.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
85.79838	1.3
90.58969	1.3
93.03461	5.4
93.91425	1.3
108.02203	2.1
109.02979	6.9
117.03468	3.6
119.05016	1.5
121.02979	10.1
122.03768	18.2
123.00885	2.8
123.04539	1.4
125.02401	1.6
131.46175	1.2
133.02959	3.8
134.03781	2.6
136.01662	9.2
137.02469	17.4
138.03311	2.2
145.02983	9.1
146.03671	2.6
149.02469	35.3
149.06090	3.4
150.03253	100.0
151.00398	9.6
151.04057	13.2
156.52449	1.2
161.02435	3.1
162.03220	3.5
163.04001	1.6
164.04791	7.5
165.01959	27.1
165.05595	74.9
166.02748	24.1
166.05917	2.7
167.03510	4.2
168.04292	1.7
173.96019	1.3
175.04025	3.5
177.02003	3.3
177.05550	6.4
179.03484	8.6
179.07153	5.7
180.04303	15.0
181.05086	29.1
187.03928	1.8
191.03554	3.3
192.04260	2.6
193.05005	2.0
194.05756	1.5
195.06653	61.3
196.07034	3.1
205.05095	6.2
207.06609	3.2
210.05295	1.4
220.07478	2.1
225.07736	13.2
292.93619	1.4
297.07901	1.9
299.09219	1.4
315.08957	1.8
343.11920	4.1
372.12100	2.0
373.12967	27.0
387.10510	3.0
387.14777	3.1
403.14056	10.7
416.14764	1.9
417.15576	24.5
418.16360	1.4
421.15063	10.1
535.17181	1.5
535.20245	1.6
565.20892	40.0
566.21234	4.4
577.20752	2.2
595.21844	17.3
596.21637	2.9
613.23053	11.3
614.23767	2.3
643.24750	1.6
743.26587	3.8
752.62170	1.5
791.30304	2.0
839.31909	2.7
969.35217	1.8
972.24780	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	1037.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99322	0.9
75.00878	0.8
78.17559	0.7
80.66458	0.8
81.32956	0.8
83.01413	1.6
84.02173	3.3
85.02960	100.0
86.03281	3.5
87.00857	0.8
88.21502	0.7
95.01398	1.4
96.96000	4.4
98.95635	1.2
103.00402	1.7
107.01395	1.0
111.00909	1.2
123.00932	2.0
125.02438	4.6
129.01950	9.5
134.03751	3.7
145.02956	1.2
147.03006	16.9
157.02946	1.2
159.04494	0.7
163.00426	1.2
165.01898	0.7
166.99883	0.8
168.00729	0.9
169.01395	4.2
173.01044	1.2
173.02448	1.8
175.04031	1.5
177.02025	0.7
184.15245	0.7
185.02483	2.6
187.73439	0.7
189.01901	1.7
190.02698	1.0
191.01994	60.2
191.03313	2.5
192.02368	2.4
193.05061	1.8
201.01938	2.7
203.03586	2.8
206.94667	0.7
209.03024	5.4
211.02499	1.1
213.02054	0.9
217.01537	1.1
219.02913	1.6
229.01453	5.0
231.03032	4.0
245.00998	2.5
247.02489	1.8
249.04102	4.2
257.00940	7.0
258.01578	2.1
273.00464	1.9
274.01096	1.0
275.02020	26.0
276.02347	2.2
283.99777	2.0
287.34766	0.7
299.99161	1.9
300.99911	58.3
302.00333	4.7
366.07941	0.9
385.07755	23.2
386.08081	1.8
421.04022	1.1
463.04828	1.0
613.05078	1.8
614.05035	2.0
615.05615	2.3
632.06152	0.9
633.07373	69.8
634.07782	8.5
651.08588	7.8
652.08923	1.4
821.30444	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	1038.18
Annotation	Unknow
Peak:m/z	Relative Intensity
85.42516	1.7
95.01420	4.5
97.02988	2.2
97.54581	1.7
107.01396	5.2
111.00875	2.0
123.00898	6.1
124.01596	1.9
125.02466	72.5
133.85020	2.2
139.00420	2.3
141.70656	2.1
145.02928	2.3
166.00215	1.6
166.99825	2.8
168.00671	7.0
169.01445	100.0
170.01817	4.0
177.02023	2.3
193.01494	3.2
211.02480	4.5
229.01379	2.2
247.02493	1.9
275.02060	3.7
295.04691	6.0
300.99915	22.0
302.00336	4.0
313.05710	6.5
392.38550	1.9
465.06973	6.2
617.07910	8.3
635.08820	14.4
786.08679	4.5
787.09961	95.6
788.10223	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	1039.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
93.28951	1.1
96.27852	1.1
110.17683	1.3
127.55418	1.3
151.00414	1.7
174.70694	1.2
183.04639	1.6
227.03523	35.0
228.03867	3.1
250.46272	1.1
255.03015	47.3
256.03644	5.9
284.03268	52.6
285.03973	18.0
501.10452	100.0
502.10757	12.3
895.57605	1.3
937.52539	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	1045.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
74.31963	0.3
78.20394	0.3
79.56863	0.3
82.57713	0.3
87.27888	0.3
88.98815	100.0
89.99168	1.1
99.37734	0.3
106.01562	0.3
117.03477	5.7
119.05064	1.1
132.02170	3.9
134.03777	1.8
145.02969	12.5
160.01680	10.0
161.02414	1.0
163.04027	0.9
175.04019	8.3
176.04413	0.6
187.03958	0.5
188.46394	0.3
193.05092	1.3
209.27272	0.3
212.12009	0.3
219.55916	0.3
235.06125	0.7
295.08041	0.4
550.67975	0.3
663.19269	0.5
675.18512	0.5
693.20160	0.5
751.71759	0.5
775.84399	0.4
804.00110	0.3
809.22864	3.5
810.24048	0.7
851.24286	0.7
869.24854	1.5
955.26703	5.9
956.27332	1.6
1009.21136	0.4
1045.28943	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	1045.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
80.39326	0.1
88.18262	0.1
88.98814	100.0
89.99132	0.9
117.03474	5.9
118.03825	0.2
119.05040	1.2
122.89379	0.1
134.03757	0.2
145.02969	13.5
146.03314	0.5
148.91008	0.2
160.01643	0.3
161.02461	0.3
163.03989	1.1
175.03992	0.5
178.92085	0.1
193.05069	0.3
217.05157	0.1
235.06038	0.2
453.11807	0.4
539.10248	0.1
633.18762	0.1
663.19366	0.3
791.21698	0.2
809.23059	3.7
809.38123	0.2
810.22870	0.7
955.26715	6.2
956.27094	1.7
1009.18988	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	1045.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
82.53345	0.2
85.02940	0.3
87.00884	0.4
88.98816	19.4
89.02518	0.2
89.03978	0.6
91.99106	0.2
101.02469	0.3
104.02697	0.6
105.03439	0.2
108.02175	0.3
113.02470	0.3
117.03495	2.5
119.05050	0.7
121.02986	0.3
132.02187	43.2
133.03069	2.9
134.03760	13.3
135.04565	2.4
136.01671	0.2
137.02463	0.6
145.02972	3.9
146.03413	0.2
147.04591	0.9
147.05594	0.2
148.05273	0.4
149.06113	1.7
151.04033	0.3
159.00891	0.3
159.04559	0.5
160.01675	100.0
161.02411	8.3
162.02863	0.3
163.04024	0.5
169.49353	0.2
173.02551	0.2
174.03226	0.4
175.04019	89.2
176.04391	3.9
177.01981	0.2
177.05544	0.4
178.02763	1.9
179.03525	1.9
186.77328	0.2
187.04016	0.5
188.04832	0.5
190.78128	0.2
191.07184	1.0
191.13899	0.2
192.04443	0.2
193.05070	9.3
194.05472	0.2
202.02769	0.3
203.07159	0.3
207.06699	0.5
217.05038	1.1
221.04587	0.3
221.08150	0.2
235.06123	2.0
247.06198	0.8
259.06198	0.2
265.07297	1.2
274.82205	0.2
295.08203	1.0
319.08356	0.8
323.07938	0.3
337.09186	0.8
355.10440	0.4
499.14047	0.8
513.14026	2.6
517.15668	0.2
633.19458	0.3
657.18787	0.3
675.19330	4.2
676.20349	0.3
693.20410	5.7
694.20770	0.9
779.21448	0.2
809.23157	0.5
810.24396	0.2
851.24066	5.3
852.24115	1.0
869.25183	18.9
870.25562	4.1
883.27997	0.3
888.74170	0.2
955.26355	1.0
956.26935	0.5
1045.30005	7.9
1046.30151	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	1047.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02940	0.4
87.00900	0.3
87.62698	0.3
89.03964	0.7
92.05073	0.6
93.03445	1.6
104.12592	0.3
108.02166	0.4
117.03483	55.8
118.03821	1.4
119.05043	12.1
121.02991	1.3
122.03747	1.7
123.04554	0.7
132.02170	1.9
133.02960	1.9
134.03777	2.7
135.04568	1.5
137.02461	0.4
139.03949	0.3
145.02971	100.0
146.03320	3.3
147.04541	0.5
148.05281	0.4
149.02477	2.4
149.06081	0.7
150.03255	8.5
151.04021	0.3
154.88219	0.4
160.01672	4.7
161.02458	4.4
161.06093	0.5
163.04021	8.8
164.04707	0.4
165.05592	4.4
169.01352	0.3
174.05682	0.5
175.04012	5.6
176.04672	0.8
177.05659	0.5
178.02719	0.3
179.03514	1.5
180.04184	0.3
181.11069	0.3
184.11510	0.3
191.07135	0.6
193.05133	2.3
195.06696	0.8
202.08868	0.3
206.08475	0.3
217.05049	0.6
235.06186	1.7
265.07138	0.3
289.07236	0.8
307.08392	0.6
323.07742	0.4
346.35645	0.3
405.10773	4.1
406.11185	0.4
453.11841	1.2
469.13388	0.4
499.14420	0.4
642.80505	0.3
645.18188	0.9
663.19495	1.8
675.19617	1.0
687.19299	1.2
705.20325	8.6
706.20459	0.9
791.22296	2.0
809.23090	2.9
810.23297	0.6
842.31641	0.4
845.23114	0.4
849.23218	0.5
850.22968	0.6
851.24133	35.1
852.24225	5.8
853.25421	1.0
865.25415	0.5
901.28345	0.6
905.25610	1.5
999.29626	2.7
1000.29364	0.5
1047.31885	3.0
1048.31982	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	1048.274
Annotation	Unknow
Peak:m/z	Relative Intensity
78.58038	1.6
98.22570	8.4
117.03477	49.5
118.03796	2.3
119.05030	13.0
132.02179	11.3
134.03778	3.2
135.04543	2.4
145.02971	100.0
145.04134	4.9
146.03320	4.2
160.00444	3.6
160.01685	39.0
161.02487	10.1
163.04013	5.2
175.04015	30.7
193.05061	5.6
217.04916	2.3
230.27321	2.9
230.29544	2.8
373.50400	2.1
411.76520	2.2
453.12189	2.8
467.69547	2.0
663.18707	4.1
693.20300	2.2
791.22083	4.3
809.23334	16.7
810.23730	3.5
821.23248	2.6
839.23999	19.8
840.23981	4.8
985.27942	43.0
986.28217	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	1048.274
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98815	0.6
89.03979	1.0
89.47002	0.4
93.03447	0.4
101.80029	0.5
114.03152	0.5
117.03483	47.8
118.03805	1.4
119.05035	4.0
132.02174	3.3
133.02963	1.1
134.03767	4.5
135.04524	1.7
145.02974	100.0
146.03314	4.0
149.06102	1.1
154.35461	0.5
160.01678	9.1
161.02469	3.8
163.04097	2.3
165.01907	0.8
173.06078	0.5
175.04024	10.6
176.04509	0.9
178.02740	1.0
179.03491	1.5
180.04239	0.5
187.04050	0.8
191.07204	0.9
193.05064	5.0
195.06624	0.8
217.05116	0.6
225.07780	0.6
235.06091	1.5
354.15430	0.5
367.21808	0.5
432.51355	0.5
472.11011	0.4
483.13150	2.0
645.17993	0.7
663.19226	1.4
693.20581	2.4
791.22137	0.5
809.23309	2.2
821.22443	2.5
839.24170	22.8
840.24457	5.6
985.27753	37.0
986.28101	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	1048.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
73.63184	0.5
85.19225	0.4
86.95266	0.5
89.04003	0.8
117.03485	49.0
118.03817	1.9
118.42786	0.5
119.05041	4.5
119.39207	0.5
132.02176	3.1
133.02983	1.1
134.03770	5.0
135.04555	0.8
141.79272	0.5
145.02974	100.0
146.03296	3.8
146.98781	0.5
149.06099	0.8
160.01666	8.8
161.02478	3.4
163.04037	2.7
175.04033	9.6
178.02707	0.7
179.03555	0.8
191.07231	1.0
193.05066	5.0
194.97760	0.5
235.06165	1.6
265.07236	0.7
415.02039	0.5
483.12964	1.7
517.10657	0.6
645.18109	0.9
663.19275	1.2
693.20581	1.4
773.60736	0.6
809.22980	3.2
821.23071	2.3
824.56219	0.6
839.24243	22.8
840.23987	5.3
920.48065	0.6
985.27832	41.9
986.28278	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	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
55.12186	0.3
58.00595	0.8
59.01383	28.1
59.98526	0.6
60.01723	0.6
60.99294	0.3
69.52357	2.2
69.52668	0.4
72.99314	91.7
73.99685	1.9
74.00045	0.3
75.00878	28.6
75.02818	0.5
76.01248	0.5
76.02405	0.3
83.38046	0.3
87.92537	6.4
98.21813	0.5
103.00359	1.4
104.92049	0.4
104.92803	1.0
105.01943	100.0
105.93605	1.0
106.02272	2.6
123.94631	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	1050.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
73.68095	1.2
79.95760	2.7
85.34818	1.3
95.01428	1.3
96.96017	19.6
98.04659	1.1
103.07912	1.3
112.93961	1.0
117.03482	3.9
119.05031	1.4
123.00905	2.8
125.02441	3.6
133.02940	4.8
145.02989	9.5
147.04533	4.6
157.02974	2.9
159.04543	1.9
160.28679	1.2
161.02435	5.4
163.00461	1.4
163.04021	4.2
164.91838	1.1
169.01451	1.4
171.00868	5.4
173.02460	10.8
175.04025	5.2
176.01134	1.7
177.01955	3.5
185.02457	5.8
189.01933	7.9
190.02744	2.2
191.03572	8.5
199.00351	7.0
200.01035	1.8
201.01938	14.0
203.03545	10.0
205.01529	2.2
205.05083	1.8
213.02081	1.3
214.02538	1.5
214.99884	2.9
216.00612	1.6
217.01404	11.6
219.02994	4.5
226.99918	7.8
228.00529	1.7
229.01411	21.6
230.02092	2.8
231.02945	9.8
242.99353	4.9
243.99991	1.7
245.00914	19.6
246.01321	2.5
247.02480	16.5
249.04045	5.2
254.99307	1.6
257.00891	10.3
258.01657	4.0
261.00415	3.8
270.98853	16.3
271.99225	1.3
273.00430	29.1
274.01059	1.4
275.02008	32.9
276.02396	3.1
283.99615	2.1
291.01535	6.3
298.98380	27.3
299.99045	8.7
300.99936	100.0
302.00198	8.2
316.99353	2.0
319.01190	1.9
445.03851	1.8
461.03836	4.2
620.62885	1.3
735.04962	1.5
737.06274	5.5
738.06860	1.3
745.03162	26.3
746.03412	4.4
753.05225	4.5
755.06830	5.2
763.04303	44.7
764.04901	7.7
780.90857	2.8
781.05347	49.4
782.05518	11.0
793.94775	1.5
799.06805	2.6
856.98401	1.3
1029.06592	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	1052.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95757	5.4
95.01394	11.1
96.95400	2.2
96.96026	39.6
96.96629	3.0
98.22524	3.8
107.01394	2.9
114.73295	1.7
117.03463	4.3
119.05050	3.8
123.00912	21.1
125.02477	22.0
126.02847	2.5
133.03000	3.6
139.00330	1.9
145.02959	8.0
147.04524	5.6
149.02487	3.5
157.02957	7.0
159.04549	3.0
161.02403	8.9
163.00409	1.9
163.04030	4.7
166.99873	6.1
169.01434	21.0
172.01633	2.1
173.02480	9.5
175.04033	6.3
177.01921	3.4
185.02414	4.1
189.01950	7.8
190.02716	3.8
191.03552	14.8
194.70564	1.8
199.00340	3.7
200.01128	2.1
201.01942	20.3
202.78427	1.8
203.03522	9.4
205.01472	1.9
214.99957	2.7
216.00610	2.4
217.01392	11.0
219.02966	7.3
221.04572	2.8
226.99846	3.2
229.01401	14.5
230.02216	4.6
231.02960	17.7
235.02419	3.2
239.06775	1.8
242.99414	3.4
244.00050	3.1
245.00961	18.4
247.02495	39.0
248.02834	2.4
249.03911	2.9
257.00946	10.4
258.01364	2.3
263.02090	3.5
270.98901	6.9
271.99557	2.3
273.00403	35.4
274.00873	5.8
275.01996	31.3
276.02408	2.6
291.01474	8.4
298.98370	10.4
299.99091	7.7
300.99933	64.8
302.00339	6.4
316.99341	2.8
356.29221	1.7
417.04416	2.9
435.05679	2.0
445.04391	2.7
465.06766	6.3
481.06592	2.2
545.71790	2.3
587.06744	4.6
595.03644	2.1
597.05383	10.0
609.64752	1.9
613.04260	2.4
615.06189	4.7
617.07990	2.4
631.05341	3.0
739.07556	6.2
755.07007	5.1
757.08972	3.1
765.05835	100.0
766.06342	21.6
783.06842	63.2
784.07422	11.3
801.07477	11.4
936.07123	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	1053.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95915	1.0
79.95747	10.1
94.98105	0.6
95.97626	0.2
96.96024	100.0
97.95978	0.4
105.53208	0.1
117.03474	2.6
118.03840	0.2
119.05067	0.7
145.02979	4.8
146.03346	0.3
153.44383	0.1
160.01672	0.2
163.04022	0.4
175.04010	0.3
186.63550	0.1
191.07198	0.1
201.91058	0.1
246.99342	0.1
273.00827	0.3
291.37671	0.1
302.75916	0.1
315.01724	0.2
345.03036	0.1
608.79047	0.1
621.89905	0.1
622.45331	0.1
809.22699	0.8
810.23932	0.2
847.17108	0.5
955.26447	1.4
956.26923	0.5
993.21124	1.1
994.22253	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	1057.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
73.28014	0.4
83.01392	2.7
93.03466	1.5
98.22549	1.5
103.02351	0.6
107.00739	0.7
107.01406	10.3
109.02947	1.5
121.02969	8.6
125.02464	2.4
139.04047	0.7
149.02457	1.5
151.00386	35.1
152.00703	0.9
159.04527	0.4
159.27718	0.5
161.02478	0.8
163.00356	2.1
164.01199	0.6
169.01453	3.3
171.22719	0.5
175.04031	1.1
178.99876	17.6
187.04028	0.9
193.01389	0.9
201.05659	0.6
211.03984	0.7
227.03584	0.7
229.04985	1.0
229.21178	0.6
243.03027	0.9
245.04617	1.6
255.03021	1.2
257.04492	0.6
271.02585	1.1
273.03983	2.6
283.02545	0.5
286.62848	0.5
300.02692	1.2
301.03561	100.0
302.03928	7.5
313.05661	1.5
421.85620	0.5
463.08954	1.3
530.20294	0.4
552.59613	0.4
615.09991	35.9
616.10382	5.0
764.88293	0.5
787.78357	0.5
843.72241	0.5
918.76318	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	1057.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01369	0.3
85.02962	0.3
89.03977	0.9
93.03461	0.8
95.01380	0.3
97.02948	0.3
99.00904	0.4
101.02490	0.2
104.02699	0.9
105.03463	0.4
106.04280	0.2
108.02197	0.3
109.03011	0.2
111.00861	0.2
113.02444	0.7
113.61050	0.2
117.03484	33.4
118.03836	1.0
119.05049	8.1
119.05934	0.4
120.05331	0.3
121.02982	0.4
125.02489	0.4
130.04237	0.3
132.02191	45.8
133.02998	7.9
134.03763	14.7
135.04573	4.1
136.01646	0.2
137.02460	0.9
145.02972	55.7
146.03305	2.2
147.04565	0.9
148.05319	0.4
149.06108	2.5
158.03719	0.2
159.04401	0.4
160.01680	100.0
161.02460	17.8
161.06093	0.3
162.02847	0.6
163.04033	4.1
171.04506	0.4
173.02557	0.3
173.06107	0.7
175.04022	70.9
176.04431	2.5
177.01878	0.3
177.05608	0.7
178.02730	2.3
179.03516	4.1
185.06158	0.3
187.03937	0.5
191.07143	1.1
193.05083	9.9
194.05370	0.4
200.04919	0.2
201.05615	0.3
207.06630	0.4
217.05043	1.4
221.04543	0.3
221.14578	0.2
231.06680	0.3
233.04625	0.4
235.06119	1.6
241.04614	0.2
247.06094	0.7
251.05612	0.4
259.06107	0.6
265.07138	1.3
289.07239	0.3
295.08408	0.4
305.06741	0.4
307.08347	0.4
319.08408	1.0
323.07962	0.3
337.09427	0.8
365.09348	0.2
397.11411	0.3
411.10880	0.3
465.11737	0.3
483.12988	2.7
484.13495	0.3
513.13892	0.3
627.17963	0.3
645.18256	0.4
659.18066	0.7
663.19110	0.4
675.19519	0.6
677.18549	0.2
687.19537	1.0
693.20166	0.6
705.20605	1.3
706.20245	0.3
717.20313	0.9
735.21582	2.6
736.22058	0.4
803.23065	0.3
821.23035	3.8
821.37439	0.3
822.22906	0.6
839.24261	3.0
840.23828	0.5
851.24323	0.9
863.24139	3.5
864.24377	0.8
869.25305	0.8
881.25177	15.1
882.25574	2.7
893.25824	0.3
895.26709	0.5
911.26306	4.4
912.26459	0.8
997.27875	5.3
998.27838	1.0
1015.29199	1.3
1057.29956	23.7
1058.30359	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	1057.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02975	0.2
86.64036	0.2
87.00879	0.4
89.03985	1.0
93.03460	0.9
104.02704	1.0
113.02510	0.5
115.47735	0.2
117.03480	33.4
118.03820	0.9
119.05047	8.8
120.73901	0.2
121.02984	0.4
123.04543	0.3
125.02465	0.4
130.04298	0.4
131.05093	0.2
132.02188	45.3
133.03050	4.3
134.03766	12.9
135.04567	3.3
136.01697	0.4
137.02464	0.9
143.05023	0.5
145.02971	61.5
146.03305	2.1
147.04562	0.9
149.06108	2.5
151.04059	0.4
158.03804	0.3
159.00906	0.3
159.04550	0.5
160.01677	100.0
161.02449	11.4
162.02867	0.5
163.04025	4.1
171.04526	0.6
173.06137	0.7
175.04021	84.4
176.04408	3.0
177.05595	0.9
178.02727	2.3
179.03525	3.0
188.04843	0.4
189.05545	0.3
191.07156	1.1
193.03313	0.5
193.05075	9.9
194.05434	0.5
202.02913	0.4
207.06622	0.3
217.05025	1.6
221.04611	0.3
221.08165	0.3
235.06128	1.5
247.06155	0.5
259.06143	0.6
265.07196	1.3
290.80280	0.3
295.08289	0.6
305.06766	0.3
307.07999	0.3
319.08368	1.1
323.07837	0.3
337.09479	0.9
483.13120	4.4
484.13651	0.3
513.14368	0.3
638.20703	0.3
645.18427	0.5
659.18323	0.5
668.78906	0.3
675.19397	0.4
687.19666	1.1
688.19867	0.4
693.20618	0.8
705.20129	1.9
717.20587	0.8
735.21466	2.8
736.22882	0.6
803.22723	0.5
821.22998	4.1
822.23621	0.7
839.24030	2.6
840.24347	0.3
851.24786	0.9
863.24176	2.5
864.24219	0.6
869.25555	0.5
881.25104	18.0
882.25299	3.7
895.27338	0.3
911.26074	3.9
912.26367	0.8
997.27832	6.4
998.28369	1.7
1015.28571	0.7
1057.29895	18.4
1058.30066	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	1060.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03986	0.9
89.24611	0.2
93.03473	0.5
103.65736	0.3
105.52467	0.3
116.02663	0.3
117.03479	52.8
118.03806	2.0
119.05044	9.9
120.05400	0.5
121.02977	0.5
132.02179	1.9
133.02988	1.8
134.03793	1.9
135.04521	1.0
143.05049	0.5
145.02969	100.0
146.03291	3.2
149.06117	0.4
159.70122	0.3
160.01672	5.6
161.02460	6.2
161.06075	0.3
163.04025	6.9
171.04558	0.3
173.06065	0.7
175.04031	4.8
176.04662	0.5
177.05618	0.5
179.03494	1.3
187.04056	0.4
191.07268	0.5
193.05112	1.6
201.26878	0.3
217.05125	0.8
229.05080	0.4
235.06209	1.0
277.07086	0.4
279.03381	0.3
289.07138	0.6
307.07779	0.4
409.18091	0.3
453.11841	1.7
517.10168	0.4
599.15472	0.6
705.20203	1.3
791.22095	0.8
803.21924	0.5
809.23126	1.3
821.23010	3.2
833.23303	0.9
851.24084	14.1
852.24042	2.6
937.25281	1.8
955.26746	1.1
955.44629	0.3
956.27539	0.5
997.27808	61.2
998.28082	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	1060.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
83.09740	1.1
117.03477	49.2
118.03820	2.1
119.05046	6.8
132.02141	2.8
133.02911	1.4
134.03720	2.4
145.02969	100.0
146.03276	4.5
160.01672	5.3
161.02435	3.0
163.04013	6.3
175.03940	5.0
191.65933	1.1
193.04987	1.4
328.57083	1.1
369.89633	1.0
453.11694	1.5
532.78381	1.1
705.20178	1.4
851.24091	20.5
852.24219	3.7
937.24896	2.7
997.27905	28.3
998.28528	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	1062.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02063	0.4
74.02482	7.9
80.53986	0.3
81.04574	0.4
82.02989	1.3
84.04567	0.4
86.02479	3.4
86.06110	0.6
86.99075	0.7
87.05655	2.2
90.00179	0.6
96.96026	0.4
97.04081	1.3
98.21903	0.4
99.05653	7.9
101.07208	1.2
102.05612	1.2
107.06218	0.5
109.04065	2.2
109.07741	0.3
111.05624	0.6
112.04054	0.7
113.03547	0.4
116.01788	0.5
123.05638	1.4
124.04031	0.4
125.03564	0.9
126.01990	0.5
126.12480	0.3
127.05139	2.0
128.03557	24.7
129.03856	0.5
131.04594	0.4
135.05659	2.9
136.04002	0.4
141.06723	2.3
143.04637	30.3
144.04985	0.5
145.06226	0.9
146.04610	3.4
149.07225	0.4
153.06702	2.3
159.99504	0.6
160.00763	10.3
166.09875	1.6
167.04601	2.3
167.08264	1.3
170.03340	0.7
171.04082	0.5
171.07671	0.4
177.03406	3.4
179.04639	8.5
181.06169	0.6
184.10896	0.5
185.05663	1.1
192.07825	0.5
197.05707	1.1
198.08823	0.7
209.11700	0.4
210.08852	7.2
211.09132	0.5
231.04482	0.4
242.07814	1.2
254.07846	10.6
272.08890	18.4
273.09186	0.8
288.06619	7.3
306.07672	100.0
307.07901	4.6
308.07446	0.4
309.20703	0.5
373.47647	0.3
379.88739	0.4
392.43814	0.3
503.45547	0.3
1044.47205	0.5
1045.45886	0.5
1062.51233	3.7
1063.49036	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	1066.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
77.41251	10.3
95.39401	10.9
98.21796	19.9
117.87993	11.5
125.02425	17.8
129.40947	11.6
145.43846	10.3
149.60202	11.2
165.99602	10.7
177.88815	13.6
178.16582	13.1
207.66879	10.3
227.03607	25.0
255.03006	34.0
284.03284	48.9
443.63055	11.1
473.55322	10.8
501.10516	100.0
502.10968	17.6
574.23822	12.0
700.66913	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	1068.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95736	2.2
95.01416	2.1
96.96009	13.3
109.02922	1.9
117.03504	4.0
119.05022	3.6
123.00922	4.8
125.02444	6.4
129.03488	3.2
133.02963	4.4
137.02475	4.4
145.02943	11.5
145.76634	1.5
147.00893	2.6
147.04564	12.1
149.02451	5.7
151.04103	1.4
156.65250	1.5
157.03008	4.1
159.04532	7.6
161.02469	8.3
163.00388	6.1
163.04042	5.8
164.07190	18.3
165.01955	2.1
171.00888	3.6
173.02452	12.3
174.03203	3.8
175.04007	11.5
176.01259	1.8
177.01941	9.4
177.05597	2.6
177.40218	1.9
185.02438	5.7
187.04031	4.1
189.01935	11.7
190.02692	5.3
190.99808	2.9
191.03505	19.0
192.00725	1.5
193.01445	4.7
199.00444	4.2
200.01114	1.9
201.01918	15.7
203.03510	20.9
204.35196	1.4
205.01460	3.0
205.05139	3.4
206.08264	22.9
207.08571	1.6
214.02693	1.5
214.99838	4.6
216.00758	1.8
217.01445	18.4
218.01923	3.2
219.03015	11.8
221.00931	2.0
221.04576	5.3
226.99916	6.7
228.00731	1.6
229.01428	29.0
230.02026	4.7
231.03006	20.9
233.01103	1.7
237.00435	3.1
242.99274	8.3
244.00040	2.1
245.00941	27.0
246.01526	3.7
247.02499	40.3
248.03056	1.7
249.03995	9.2
257.00964	12.3
257.03342	1.8
257.04532	1.3
258.01752	4.6
261.00421	5.9
263.01965	4.3
270.98868	22.1
271.99252	1.9
273.00433	45.0
274.00864	3.2
275.01993	50.6
276.02338	4.1
283.99716	3.1
291.01425	15.8
293.03061	3.7
298.98367	43.7
299.56281	1.7
299.99030	11.2
300.99924	100.0
302.00183	8.7
316.99368	3.9
317.03055	2.4
319.00986	9.7
333.02594	2.7
335.04083	1.9
337.02051	3.4
393.04694	2.6
433.03970	2.3
435.05402	2.0
453.06842	2.8
461.03622	5.7
479.04727	3.4
552.41376	1.5
681.04254	2.4
693.07648	2.1
725.06354	1.9
735.04572	1.7
737.06281	30.3
738.06628	6.6
745.02881	7.9
746.02832	1.9
753.05951	4.6
755.07355	23.9
756.07532	4.1
763.04315	27.7
764.04346	3.9
771.06885	1.9
773.08221	3.2
781.05377	49.3
782.05957	6.9
799.06476	34.9
800.06335	4.1
927.72729	1.8
1056.23462	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	1069.26
Annotation	Unknow
Peak:m/z	Relative Intensity
95.95285	0.7
98.22606	1.5
112.98579	100.0
113.98875	0.7
117.03489	12.9
119.05028	2.5
134.03778	0.9
137.69667	0.6
145.02971	27.2
146.03287	1.1
160.01640	1.0
161.02458	0.8
163.04010	1.5
175.03986	1.8
196.63562	0.7
308.11810	0.7
359.27496	0.6
399.81607	0.7
583.87463	0.6
809.22968	8.3
810.23322	1.2
955.26794	13.9
956.27069	4.1
1009.17230	0.7
1069.21240	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	1070.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
77.29140	0.5
84.61491	0.5
91.05532	1.0
95.01389	1.1
96.96002	0.8
109.02953	1.1
117.03349	0.5
119.05037	0.6
121.02953	0.8
123.00905	2.8
125.02436	3.6
129.01933	0.6
129.03413	0.7
133.02969	1.4
135.04547	1.0
137.02432	2.1
145.02983	2.8
147.03368	0.9
147.04547	17.2
148.04863	1.0
149.02434	0.9
157.02950	1.1
158.03755	0.9
159.04538	4.2
161.02469	1.5
163.00395	6.1
163.04030	1.9
164.01143	1.0
164.07170	30.0
165.01845	0.9
165.07555	1.1
173.02495	2.8
175.04044	4.6
177.01949	3.2
177.05664	0.9
178.02484	0.5
185.02458	4.3
187.04034	1.5
189.01906	1.3
190.02718	1.7
191.03497	3.4
193.01424	1.4
196.71864	0.6
200.01239	1.2
201.01941	7.7
202.02396	0.8
203.03510	10.9
204.03882	0.9
205.01401	0.8
205.05040	3.4
206.08229	52.5
207.08588	2.6
209.00598	0.5
213.01953	2.2
214.02661	0.8
215.03441	0.5
217.01411	2.5
218.02147	1.0
219.03062	3.4
221.00914	0.8
221.04533	1.8
222.01474	0.7
226.99962	0.6
229.01414	13.5
230.01793	1.4
231.03014	10.6
237.00453	0.7
242.99283	0.6
244.00200	0.7
245.00926	4.9
246.01364	0.7
247.02460	4.9
248.02979	1.1
249.04083	12.7
250.04346	0.6
257.00940	17.4
258.01556	4.0
259.02225	0.7
270.98898	1.0
273.00443	5.1
274.01050	2.3
275.01990	66.9
276.02335	5.1
283.99689	2.4
291.01733	0.8
293.03012	4.1
294.03244	0.6
298.98438	1.9
299.99072	4.1
300.99924	100.0
302.00244	7.7
313.56497	0.7
319.00983	2.0
337.01941	1.2
379.03009	1.1
419.06226	0.7
421.04007	0.6
445.04266	0.7
463.05225	8.0
481.06171	5.0
482.06680	0.7
499.07285	1.7
667.01923	0.6
701.06012	2.2
739.07867	5.7
740.08649	0.8
757.08643	3.4
765.05475	1.2
782.06128	1.2
783.06921	31.4
784.07117	5.7
801.07959	23.6
802.08484	4.7
819.08923	3.2
820.08722	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	1071.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
93.81051	7.0
125.02482	7.8
164.68564	7.5
229.84616	13.7
243.02922	9.2
255.03001	17.6
271.02521	48.0
300.02783	87.4
300.99902	7.3
301.03464	19.2
517.09949	100.0
518.10321	12.0
519.47040	10.4
604.54187	8.7
676.83374	8.3
1096.15491	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	1073.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
83.93055	0.1
97.93154	0.2
99.92595	25.7
100.92596	0.9
112.98647	0.2
114.93428	0.8
116.92873	100.0
117.03443	0.5
117.92879	4.0
119.04992	0.1
131.91568	0.2
144.78732	0.1
145.02966	1.0
146.03319	0.1
151.28214	0.1
229.77055	0.2
234.43481	0.1
308.90134	0.1
553.48492	0.1
809.23602	0.2
955.27203	0.3
1055.18738	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	1075.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
79.85043	0.3
83.01394	2.8
91.01929	0.5
93.03460	1.3
98.22308	0.4
107.01405	9.2
109.02955	3.2
115.05413	0.3
119.01405	0.6
121.02971	7.3
123.80942	0.4
125.02432	0.7
135.00964	0.5
139.04008	0.4
147.04518	0.4
149.02469	1.3
151.00386	31.8
152.00685	0.8
159.04510	0.9
161.02518	0.8
163.00395	3.3
164.01157	0.6
165.01933	0.4
169.01448	1.9
175.04082	0.7
178.99883	14.9
180.00281	0.5
183.04552	0.8
185.06134	0.4
187.04039	0.6
195.04518	0.4
201.05562	1.0
203.03477	0.6
211.04012	1.8
217.05029	0.4
227.03461	1.3
229.05038	1.3
243.02956	0.5
245.04558	2.8
255.03038	3.1
256.03406	0.5
257.04620	0.8
271.02518	0.6
273.04007	2.4
278.17734	0.4
283.02585	1.4
297.06155	0.4
299.02261	0.4
300.02737	0.8
301.03558	100.0
302.03900	7.3
368.25464	0.3
599.10498	37.0
600.10846	6.4
968.95184	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	1075.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98814	100.0
89.99162	0.8
99.92587	11.4
100.92612	3.4
101.92427	1.3
116.67083	0.4
116.92874	41.3
117.03457	4.2
117.92887	14.6
118.92638	6.4
118.93398	1.0
119.05054	1.2
132.02156	1.1
145.01904	0.6
145.02986	8.0
150.41327	0.4
160.01697	2.9
163.04004	0.8
175.03963	2.2
193.05267	0.5
222.92564	0.4
229.03990	0.4
258.38562	0.4
337.00745	0.6
433.12762	0.5
519.57813	0.5
809.22949	1.4
839.23981	0.9
880.42194	0.5
955.25842	0.6
985.27673	5.5
986.27606	1.1
1039.19336	0.8
1040.19971	0.6
1075.16113	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	1077.6251
Annotation	Unknow
Peak:m/z	Relative Intensity
84.00920	0.9
85.07166	0.2
92.05069	33.9
93.03465	2.2
93.05412	0.8
98.02486	48.4
99.02820	0.6
101.04598	0.2
108.76467	0.3
110.02502	0.3
111.03265	2.9
112.04067	4.9
118.06693	0.3
119.05039	7.3
120.05379	0.3
128.05125	0.3
128.84184	0.3
129.05887	0.4
130.06638	14.8
131.03873	0.3
131.05045	1.8
131.07050	0.4
134.06142	0.3
135.04539	0.3
136.04059	20.1
137.04420	0.7
144.04587	1.2
145.02957	0.4
146.06117	1.2
156.03058	0.6
157.05496	0.4
157.06627	2.6
161.04803	0.3
163.04033	9.0
164.04393	0.4
172.07674	1.3
173.07230	2.6
174.05617	29.3
175.05963	1.3
175.07433	0.4
180.06677	23.5
181.07022	0.7
184.18996	0.2
185.04810	0.3
187.08789	0.3
199.05132	0.7
200.07184	11.3
201.07484	0.9
201.09239	0.2
217.06252	0.4
218.04610	22.0
218.08087	6.8
219.04982	0.9
262.07227	18.1
262.19998	0.2
263.07553	1.0
319.10800	0.3
337.11951	1.2
341.86481	0.2
363.47675	0.2
381.10852	0.9
399.11996	100.0
400.12305	8.9
442.81763	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	1078.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98802	6.0
89.40472	0.7
93.03479	0.7
98.22595	2.1
104.02697	1.1
117.03477	31.7
118.03808	1.0
119.05054	6.9
124.87751	0.7
132.02184	39.5
133.03026	4.4
134.03757	13.7
135.04543	3.5
136.01694	1.2
137.02406	1.0
143.05061	0.7
145.02966	69.0
146.03317	2.6
147.04547	1.0
149.06065	2.3
150.03279	0.8
160.01669	100.0
161.02446	9.6
163.04033	3.9
175.04015	90.6
176.04370	4.8
178.02748	2.0
179.03554	2.6
179.51721	0.8
191.07175	2.1
193.05057	11.7
207.06583	0.9
217.05113	2.7
229.84526	1.0
235.06105	3.8
247.05962	0.8
251.05791	0.6
265.07144	1.8
295.08383	1.6
307.08295	0.8
337.09286	1.2
340.69791	0.7
355.10358	1.0
483.13071	3.6
663.19208	1.4
675.19318	2.2
693.20117	5.2
694.21289	0.9
821.22827	6.2
822.23602	0.9
839.24109	48.0
840.24835	6.9
851.23920	1.2
853.24200	0.7
857.29462	0.7
869.25037	7.7
870.24512	1.5
1015.28821	74.9
1016.28998	17.5
1103.82678	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	108.0213
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
50.30840	2.0
51.97276	2.2
60.25446	2.3
69.35971	2.5
69.55865	2.1
70.59624	3.9
70.59956	3.6
80.05093	4.0
81.03455	2.9
107.03748	3.9
108.02187	100.0
108.04575	51.9
109.02984	59.8
109.04131	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	108.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13862	0.8
63.51075	0.9
69.10254	8.5
108.02187	100.0
108.04566	8.9
109.03068	8.3
109.04093	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	1083.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	0.9
79.95744	12.6
82.63923	0.2
94.98115	0.6
96.96018	100.0
103.92028	0.2
117.03474	2.6
119.05033	0.5
126.90409	0.9
134.03738	0.6
145.02957	4.2
159.04462	0.3
160.01671	0.9
163.04073	0.5
175.04037	0.9
177.62875	0.2
184.31612	0.2
193.01720	0.3
230.23979	0.2
244.65578	0.2
258.12698	0.3
279.87119	0.2
298.21964	0.3
301.03998	0.2
336.03107	0.4
351.05661	0.4
371.54727	0.2
395.04715	0.3
499.95966	0.3
689.45465	0.3
838.19165	0.3
839.23987	0.6
877.18237	1.0
985.27631	1.4
986.27576	0.4
1023.22382	2.7
1024.23840	0.3
1040.19653	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	1090.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
103.32265	0.8
106.39573	0.9
113.02457	0.9
117.03483	54.2
118.03809	2.2
119.05042	7.7
125.02471	0.7
132.02200	7.1
133.03000	3.6
134.03761	5.0
135.04530	3.2
145.02971	100.0
146.03276	3.9
149.06093	1.8
160.01678	21.2
161.02446	9.0
163.04033	4.7
175.04016	19.7
178.02715	1.3
179.01828	0.7
179.03523	2.5
193.05084	6.1
196.32645	0.7
208.58012	0.7
222.62056	0.7
235.06105	1.7
295.08289	0.9
316.27432	0.7
465.82660	0.9
483.13232	1.2
705.20746	1.5
707.25769	0.9
803.63879	0.9
821.22552	1.8
839.24274	2.2
851.23883	9.7
852.24298	3.2
863.23651	1.6
881.25262	13.0
882.25403	3.1
967.25800	3.0
985.27161	2.2
1016.44836	0.8
1027.28906	73.9
1028.29248	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
117.03477	54.3
119.05038	8.0
132.02170	18.0
134.03775	7.0
135.04491	1.6
143.91501	1.8
145.02966	100.0
146.03313	2.8
149.06096	1.8
160.01674	37.9
161.02400	7.5
163.04016	8.1
175.04008	32.6
179.03503	2.8
187.03949	1.8
193.05072	4.8
197.73332	1.8
210.49837	1.7
217.05141	1.9
283.75754	1.9
398.50009	1.7
413.99493	1.7
483.13055	2.1
780.46753	1.9
851.23956	17.1
881.25171	19.0
882.24506	2.7
938.48590	2.0
964.47192	2.0
967.26459	6.3
968.25793	2.4
1027.28735	57.2
1028.28857	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01403	1.4
85.02959	11.1
87.00901	2.9
95.01402	3.4
99.00899	2.3
103.00383	2.8
107.01424	3.3
109.02935	1.3
111.00908	1.6
113.02463	15.5
115.00410	3.7
121.02960	0.9
123.00898	6.6
123.04461	0.9
124.01687	1.6
125.02461	31.4
126.02817	1.9
127.00398	0.8
133.02937	1.0
137.02449	2.3
139.00368	3.0
149.02444	0.9
151.00380	10.1
151.03932	1.6
157.01407	1.6
161.02431	2.7
163.00372	1.1
165.01936	2.5
167.03596	0.8
168.00661	3.1
169.01439	30.7
175.02487	6.1
175.03911	1.6
177.01982	1.2
178.99876	1.2
179.03497	1.9
180.46475	0.7
193.01387	1.3
207.02950	1.3
209.00862	1.9
211.02460	1.6
243.02911	2.8
244.03334	1.0
245.04572	1.2
246.67934	0.7
247.02473	0.8
255.02948	2.0
269.04825	1.2
271.02527	1.7
287.05658	2.2
289.07300	1.3
298.01080	0.8
300.02814	3.8
301.00079	1.4
301.03458	8.9
327.03589	100.0
328.03979	4.9
330.06509	0.9
384.68912	0.7
407.07388	1.3
459.05688	4.9
460.05853	0.7
477.06424	1.6
629.07898	46.7
630.08105	6.5
791.41962	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	1093.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.9
96.96005	0.5
107.01398	3.2
109.02956	1.2
113.02458	0.6
113.84203	0.5
121.02967	1.9
123.00909	0.8
125.02473	8.1
129.85004	0.5
151.00378	11.1
159.04555	0.8
161.02454	0.8
163.00407	1.5
169.01442	8.2
178.99895	5.6
187.04085	0.8
192.00606	0.5
199.04143	0.5
205.05258	0.5
211.02373	0.6
211.04128	0.8
226.02736	0.6
227.03539	1.5
229.05017	0.8
243.02972	4.0
245.04581	1.3
254.02225	1.2
255.03006	11.6
256.03494	0.9
271.02499	20.9
271.05331	1.1
272.03082	1.9
273.04053	0.9
283.02460	1.9
299.01938	0.8
300.02777	54.6
301.03516	43.5
302.03870	2.5
313.05704	1.7
455.12125	0.5
463.08908	15.9
463.15149	1.0
464.09360	1.6
467.90891	0.6
477.06796	7.7
478.07077	0.5
615.09949	100.0
616.10242	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	1093.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01405	1.1
97.02978	1.2
98.79198	0.7
107.01403	4.8
109.02967	0.7
123.00916	5.0
124.01757	1.2
125.02465	39.1
126.02818	1.7
136.98831	1.1
137.02402	1.6
139.00374	2.0
140.01161	1.7
144.23059	0.8
149.02464	1.1
151.00342	3.8
152.00958	0.7
161.02483	1.2
167.03583	1.5
168.00703	3.8
169.01448	60.2
170.01807	1.6
177.01938	0.8
179.03584	1.3
191.03621	0.7
193.01387	3.0
193.02960	0.7
211.02455	6.7
223.02472	1.3
241.03532	1.7
253.03673	1.2
271.04443	0.9
274.21451	0.7
283.35831	0.7
295.04633	2.4
297.06155	3.1
313.05692	26.7
314.05960	1.5
465.06781	100.0
466.07077	8.4
483.07785	0.9
502.23654	0.8
635.08978	25.0
636.09534	3.8
721.11511	0.9
835.78650	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	1093.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
85.59325	0.7
95.01453	1.1
96.96005	1.1
98.21985	5.3
107.01408	6.2
111.00890	1.4
123.00916	6.5
124.01675	1.0
125.02462	47.6
126.02789	1.4
139.00383	1.1
140.01154	2.4
141.02008	1.3
141.03371	0.7
151.00380	3.0
166.99931	1.2
168.00644	3.0
169.01440	59.8
170.01793	1.6
179.03432	1.0
183.01424	0.9
193.01433	2.9
211.02544	4.4
223.02472	1.4
241.03564	0.9
243.03046	0.8
295.04672	2.2
297.06140	2.7
313.05679	28.9
314.05905	1.5
465.06769	100.0
466.07156	9.4
483.07764	2.0
486.87369	0.8
635.08984	24.0
636.09070	3.4
721.43378	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	1093.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03475	0.9
83.01418	0.4
85.02955	0.8
95.01431	1.2
97.02963	1.7
101.02451	0.8
107.01385	4.9
108.99186	0.4
111.00899	1.1
113.02438	0.7
123.00890	3.5
124.01717	0.8
125.02460	57.9
126.02789	1.7
127.00386	0.5
136.98785	0.6
137.02428	0.6
139.00383	1.1
140.01215	1.0
151.00388	1.6
151.04048	1.2
165.01926	0.9
166.99869	0.4
167.03563	0.8
168.00658	3.5
168.77425	0.5
169.01443	76.1
170.01820	2.4
179.03496	0.8
181.01396	0.6
193.01489	3.2
198.45554	0.5
205.01595	0.4
207.03015	0.7
211.02498	7.7
211.04398	0.8
223.02492	1.0
229.22090	0.6
235.02527	0.9
237.04146	0.6
241.03624	1.6
253.03491	0.8
271.04608	4.8
275.01871	0.6
295.04602	2.9
300.99716	0.8
313.05673	6.5
331.06708	0.8
423.05643	2.7
444.17764	0.6
465.06754	11.7
466.07016	1.3
483.07861	5.1
633.07782	0.6
635.08936	100.0
636.09235	12.0
660.41541	0.5
738.27295	0.5
1004.97736	0.5
1043.13013	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	1103.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
99.92596	29.5
100.92603	1.2
114.93437	0.9
116.92873	100.0
117.03474	0.5
117.92886	4.5
131.91618	0.2
133.66922	0.2
145.02940	1.1
160.01779	0.2
229.61821	0.2
280.33823	0.2
316.39166	0.2
394.71204	0.2
434.95248	0.2
985.28345	0.5
1085.20886	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	1105.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98812	100.0
93.10949	0.5
97.61429	0.5
99.92591	5.0
100.92593	1.9
101.92441	0.6
116.92878	14.9
117.03455	2.7
117.92870	4.3
118.92699	2.0
119.04965	0.6
132.02162	1.4
134.03717	0.7
145.02969	4.5
148.91029	1.7
160.01654	3.5
175.04050	3.7
189.85506	0.6
222.92557	2.3
224.94138	1.0
335.62296	0.6
392.82455	0.7
464.79257	0.7
588.92529	0.7
839.23431	2.0
840.23779	0.7
884.51630	0.7
1015.30170	3.6
1016.28412	0.9
1022.03326	0.6
1069.20886	2.7
1070.21155	0.7
1105.19116	3.4
1106.19080	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	1107.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
82.34699	0.6
91.73125	0.6
92.99828	2.8
95.00832	1.3
95.01397	17.6
101.04005	0.6
105.03510	0.6
107.01382	0.7
112.39661	0.7
117.03482	2.2
119.05015	0.9
123.00891	3.5
125.02444	6.0
129.03497	1.2
131.05087	0.7
132.25264	0.7
133.02951	2.8
135.00854	0.9
135.04489	0.8
137.02437	0.9
143.01425	1.2
145.02965	7.5
147.04550	2.8
157.02979	3.6
159.00854	1.4
159.04501	1.1
161.02469	5.7
163.00415	7.8
163.04047	4.4
164.98309	20.7
165.01895	1.5
166.99828	1.1
169.01440	4.3
171.00882	3.1
172.01413	0.8
173.02431	8.3
175.04019	3.5
177.01958	2.6
185.02486	5.9
187.00377	6.1
189.01947	6.0
190.99919	1.8
191.03488	2.8
196.11331	0.8
199.00349	3.9
200.01161	2.1
201.01932	11.4
202.02327	0.9
203.03552	3.9
205.01372	1.0
206.99352	1.3
209.00923	1.0
213.01874	2.2
214.99854	7.1
215.03400	1.5
216.00690	1.6
217.01434	7.1
219.02980	1.5
226.99879	4.1
228.00624	1.2
229.01439	13.9
229.32513	0.9
230.02071	1.6
230.99329	0.9
231.02980	6.6
233.00951	0.9
241.01398	1.4
242.99342	15.1
243.03036	1.0
244.00105	2.1
245.00943	14.2
246.01421	1.2
247.02499	6.2
249.04077	3.6
254.99271	2.8
255.03166	0.9
257.00946	8.2
258.01636	1.9
259.02432	1.8
259.99673	1.0
261.00452	2.6
269.00928	1.7
270.98859	46.0
271.99326	3.1
273.00424	27.1
274.01102	2.7
275.01962	21.2
276.02286	2.3
283.99768	3.8
285.00464	6.3
286.98517	1.7
287.01917	1.8
289.00021	0.9
291.01495	2.4
298.98355	72.7
299.99020	15.3
300.99908	100.0
302.00320	6.1
303.01596	0.8
310.98352	2.2
313.00003	3.9
315.01398	1.7
316.99350	6.3
331.01053	1.7
338.98132	0.9
343.00912	1.5
417.05261	0.9
420.06747	0.8
427.03418	1.3
443.02530	1.8
445.04242	1.1
461.03775	2.6
463.05243	2.9
501.03110	1.0
538.16547	0.8
595.03479	4.0
597.05603	0.8
669.03693	1.1
717.04474	0.8
729.03955	1.1
741.09094	0.9
745.03113	2.0
747.04877	2.1
763.04523	1.6
765.06024	2.1
805.03503	0.9
893.09827	1.5
897.03876	0.9
905.07562	1.2
913.04828	3.4
915.05219	6.6
931.05048	1.4
933.06482	5.0
943.04443	1.2
950.72565	0.8
953.02991	4.2
954.03156	1.1
971.03552	2.7
1089.05493	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	1107.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
78.27270	1.7
85.85076	1.8
95.01391	9.3
102.12573	1.7
107.01439	2.0
109.03003	1.9
110.47108	1.9
117.03517	4.2
123.00886	19.4
123.04549	5.0
125.02482	18.0
129.03429	2.6
137.02446	2.8
138.10052	1.8
143.05336	1.8
145.02980	7.7
146.46402	2.1
147.04529	3.2
151.00410	3.7
151.03981	11.1
153.01964	11.4
157.02972	6.0
161.02463	5.4
163.00351	3.4
163.04004	5.1
165.01942	3.2
166.99841	8.2
169.01437	13.2
173.02464	6.0
175.03996	5.2
177.01945	5.7
185.02512	3.1
189.01955	3.9
191.03543	10.9
199.00381	3.0
201.01930	13.4
203.03548	9.1
206.10535	1.8
209.00948	2.4
215.03522	2.0
217.01405	7.2
219.03001	4.7
226.76018	2.0
226.99818	5.8
229.01413	13.1
231.03081	5.9
235.02483	2.6
245.01042	9.6
247.02492	24.3
248.02986	2.5
257.00977	3.5
257.04764	2.0
263.01889	3.9
270.98840	5.8
273.00488	20.5
275.01956	4.5
291.01443	3.8
298.98346	11.5
299.98978	4.4
300.99902	21.0
303.05099	6.9
329.02866	2.0
335.00461	2.4
403.02939	2.7
431.22800	2.5
431.65851	2.5
457.07663	5.6
586.69025	2.2
603.05994	6.2
613.04761	100.0
614.04974	15.0
631.05780	49.0
632.05927	5.8
696.77594	2.1
709.70746	2.3
743.80237	2.4
847.46167	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	1108.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
81.04588	0.6
82.02975	1.6
86.02472	3.3
86.99083	1.4
87.05647	2.2
90.00204	1.4
96.04523	0.5
97.04099	1.5
99.05650	9.0
101.07220	1.0
102.05605	1.3
103.25771	0.6
109.04096	2.1
112.04037	0.8
115.97560	0.5
116.01775	1.1
123.05635	1.4
124.04035	0.8
125.03616	1.3
127.05133	1.3
128.03555	30.5
129.64227	0.6
135.05690	2.8
137.07199	1.1
141.06717	2.4
143.04636	33.1
144.04926	0.9
145.06248	1.2
145.79852	0.6
146.04608	2.7
153.06697	2.6
153.27850	0.6
160.00748	9.4
166.09875	1.5
167.04601	2.7
167.08305	1.5
170.03409	0.7
177.03427	3.2
179.04651	7.0
181.06262	1.0
185.05669	1.3
192.07794	0.6
197.05684	0.8
198.08778	0.8
204.00038	0.5
210.08858	9.1
254.07860	10.6
272.08884	16.5
273.09189	0.8
288.06534	6.7
306.07672	100.0
307.08032	4.3
353.17416	0.6
441.89413	0.7
542.60004	0.6
630.75635	0.7
1068.90894	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	1109.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01885	0.2
89.03979	0.3
92.99830	1.3
93.03484	0.4
95.01398	8.3
101.03949	0.2
105.03429	0.2
107.01403	0.5
107.05042	0.3
109.02968	0.5
111.00862	0.3
117.03470	1.0
119.05043	0.6
121.02947	0.5
123.00909	1.4
124.01676	0.3
125.02461	3.6
129.03479	0.6
131.04994	0.3
132.02161	0.3
133.02946	0.9
135.00909	0.3
135.04539	0.4
137.02455	1.6
139.00343	0.4
145.02977	2.9
146.03520	0.2
147.04550	1.3
149.02443	0.7
153.54680	0.2
155.01215	0.2
157.02940	1.6
159.00868	0.3
159.04520	1.0
160.01628	0.2
161.02496	1.4
163.00371	2.1
163.04007	1.8
164.01305	0.3
164.98314	6.6
165.01945	1.6
165.98633	0.3
166.99883	0.5
169.01479	3.8
169.02901	0.3
171.00896	0.4
171.04510	0.2
172.01683	0.4
173.01001	0.2
173.02449	3.3
174.03116	0.4
175.03946	1.2
176.01170	0.2
177.01938	1.0
177.05566	0.2
178.99907	0.6
181.01463	0.2
184.01628	0.3
185.00874	0.3
185.02458	4.1
186.02928	0.4
187.00401	0.7
187.03987	0.7
188.01205	0.3
189.01932	2.2
190.02719	1.0
190.99875	1.0
191.03479	1.5
192.00395	0.2
192.03067	0.8
193.01491	0.4
193.03227	0.2
199.00380	0.5
200.01147	0.5
201.01959	4.9
202.02484	0.5
203.03545	2.2
203.05301	0.3
205.01466	0.5
206.99385	0.3
208.00127	0.3
209.00890	1.3
211.00189	0.2
213.01950	1.7
214.02650	0.4
214.99867	0.6
215.03479	0.4
216.00581	0.6
217.01440	2.9
218.02115	0.5
219.02937	1.1
220.03625	0.3
221.00975	0.3
226.99911	1.3
227.03409	0.3
228.00607	0.5
229.01439	8.5
230.02003	0.8
230.99568	0.3
231.03000	3.1
233.00880	0.3
233.98021	0.9
234.98830	0.4
240.00641	0.3
241.01395	0.4
242.02167	0.3
242.99313	1.1
243.03047	0.6
244.00052	0.9
245.00952	5.8
246.01466	0.6
247.02498	2.7
248.03125	0.6
249.04019	2.6
250.04413	0.2
254.99278	0.8
255.03215	0.3
256.00119	0.4
257.00940	7.2
258.01566	1.5
259.02359	0.7
261.00357	0.3
269.00949	0.6
270.98911	3.1
271.02078	0.4
271.99493	0.5
273.00436	6.7
274.01160	2.2
275.01993	13.7
276.02380	1.0
282.99026	0.3
283.02499	0.3
283.06424	0.2
283.99628	3.9
285.00430	3.0
286.00854	0.3
287.01984	0.8
289.00171	0.3
289.03625	0.3
291.01474	0.8
297.00497	0.3
297.03799	0.3
298.98456	3.6
299.02011	0.5
299.99130	8.3
300.99918	100.0
302.00272	6.1
303.01239	0.5
310.98318	1.4
311.01550	0.3
312.08871	0.4
312.99994	1.9
314.00613	0.4
314.98059	0.3
315.01526	0.9
316.99380	0.7
319.00812	0.3
324.99881	0.3
326.97864	0.5
327.01669	0.2
328.99414	0.5
331.00836	0.3
338.97937	0.5
343.01010	1.3
356.98773	0.4
419.06064	0.6
445.04080	0.8
456.09579	0.9
457.09848	0.4
461.03680	0.8
463.05206	4.2
464.05551	0.3
473.03726	0.6
475.05579	0.5
477.06744	0.7
501.03238	2.2
505.06689	0.6
613.04736	1.8
614.04645	0.4
615.06299	0.6
631.05768	0.5
633.07404	1.2
634.07605	0.4
643.04999	0.3
645.06989	0.2
671.05499	1.8
765.05945	2.0
803.03479	0.8
825.07788	1.0
826.09210	0.3
915.04828	0.3
919.08417	0.3
933.06500	4.3
934.06592	0.9
935.08087	13.7
936.08490	2.7
945.06989	1.0
947.07965	0.5
965.69928	0.3
973.05963	8.1
974.06653	1.8
991.07904	0.3
1005.08221	0.2
1049.07764	4.8
1050.08459	1.0
1109.10010	1.9
1110.09973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
79.43709	0.2
91.01939	0.2
92.99834	0.9
93.03410	0.3
95.01394	4.2
97.02953	0.2
101.03981	0.2
107.01345	0.2
109.02948	0.3
111.00883	0.5
117.03468	1.0
119.05038	0.6
121.02950	0.4
123.00912	0.7
124.01711	0.3
125.02479	1.8
129.03490	0.7
131.05043	0.3
133.02977	0.7
135.00832	0.2
135.04523	0.2
137.02473	0.7
139.00363	0.4
145.02971	3.0
147.00912	0.4
147.04524	1.0
149.02464	0.5
151.00363	0.2
156.10849	0.2
157.02959	1.3
159.00847	0.3
159.04535	0.7
161.02467	1.3
163.00398	1.9
163.04037	1.2
164.01155	0.3
164.98320	3.5
165.01974	1.0
169.01445	2.8
171.00850	0.3
172.01718	0.2
173.02457	3.3
174.03125	0.2
175.04053	1.0
176.01057	0.2
177.01947	0.7
178.99931	0.7
185.02455	4.2
187.00299	0.4
187.04041	0.6
189.01930	1.9
190.02698	0.6
190.99873	0.7
191.03496	1.8
192.00603	0.2
193.01436	0.6
197.02464	0.3
199.00388	0.6
200.01176	0.7
201.01959	4.3
202.02589	0.3
203.03497	1.8
205.01457	0.4
209.00920	1.4
213.01959	1.0
214.99857	0.3
215.03522	0.3
216.00648	0.7
217.01424	3.1
218.02180	0.4
218.99400	0.3
219.02907	1.1
221.04562	0.4
223.79071	0.2
226.99898	1.4
227.03419	0.2
228.00626	0.6
229.01431	8.4
230.02020	0.7
231.03001	1.7
233.00998	0.3
233.98093	1.1
234.98830	0.2
240.00648	0.2
241.01360	0.3
242.99312	0.5
244.00076	0.8
245.00946	5.3
246.01584	0.5
247.02501	4.7
248.02905	0.4
249.04071	0.8
254.99342	1.1
255.03033	0.2
256.00235	0.3
257.00958	6.1
258.01605	1.1
259.02414	0.5
261.00388	0.5
266.99469	0.3
269.00919	0.5
270.98895	1.4
271.02484	0.2
271.99530	0.5
273.00421	4.9
274.01154	1.3
275.01984	8.4
276.02353	0.5
282.98935	0.4
283.02426	0.3
283.99680	3.8
285.00418	2.7
285.03479	0.3
287.01965	0.5
291.01450	0.8
298.98395	1.4
299.01678	0.4
299.99146	6.8
300.99918	100.0
301.96875	0.3
302.00256	6.3
310.98407	1.4
312.99960	1.5
314.00867	0.3
315.01474	0.9
316.99292	0.3
319.00940	0.4
326.97897	0.4
328.99332	0.5
338.97815	0.7
343.01050	0.7
353.05234	0.4
356.98859	0.4
371.00269	0.2
407.92920	0.2
419.06436	0.3
435.06332	0.3
443.02716	0.2
445.04071	0.8
447.05899	0.2
461.03394	0.9
463.05151	3.8
464.05432	0.3
473.03772	0.4
475.05090	0.5
501.03165	1.5
505.06836	0.2
613.04639	0.6
633.07196	0.8
633.17267	0.2
655.05627	0.4
671.05450	1.7
689.23743	0.2
718.41290	0.2
721.06982	0.4
747.04889	0.6
765.05841	1.3
775.04004	0.6
777.05786	0.5
803.04187	0.6
825.07971	0.5
891.09198	0.2
905.06512	0.4
907.08228	1.1
908.07800	0.3
915.05060	0.5
919.08630	0.5
933.07568	1.1
935.07959	5.8
936.08942	1.2
945.06476	2.3
946.06525	0.5
972.88708	0.2
973.06213	3.2
974.06281	1.0
991.06097	0.4
1049.06396	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	1109.095
Annotation	Unknow
Peak:m/z	Relative Intensity
92.99834	1.4
95.01394	9.8
117.03493	1.0
123.00884	1.1
125.02464	8.7
133.02969	1.1
137.02435	1.3
139.00284	1.0
145.02933	4.2
147.04550	1.6
157.02977	1.3
159.04532	0.7
161.02466	1.9
163.00395	3.4
163.03969	1.1
164.98318	7.0
165.01945	1.9
169.01463	6.4
173.02472	3.3
175.04042	2.2
177.01898	1.5
185.02509	4.1
189.01929	2.3
191.03528	2.0
201.01981	4.3
203.03574	3.9
206.99269	0.8
209.00980	1.9
213.01888	1.3
217.01450	2.7
219.02884	1.0
226.99873	1.1
229.01439	9.5
229.18083	1.1
230.01860	0.9
231.03003	2.8
233.98119	1.2
242.99525	0.8
243.03026	1.3
244.00095	0.7
245.00890	6.6
247.02553	1.5
248.03217	1.0
249.04044	2.4
253.57417	0.8
257.00912	6.5
258.01767	1.8
269.04715	0.7
270.98831	2.7
273.00452	6.4
274.01205	2.2
275.01984	13.9
276.02368	0.9
283.02258	0.8
283.99664	2.6
285.00406	3.3
298.98392	2.6
299.99088	9.9
300.99933	100.0
302.00250	7.0
310.98422	1.7
312.99918	1.8
315.01605	1.3
343.01074	1.6
407.08154	1.0
445.03998	1.6
463.05161	4.9
487.12894	0.8
501.03403	2.1
633.06598	1.2
671.05493	1.5
750.87769	0.9
763.92383	0.9
765.05670	2.3
783.06207	0.8
933.05573	4.7
935.08179	14.5
936.08417	2.9
945.07587	1.1
973.06024	8.7
974.06024	1.7
1049.07544	3.7
1050.07605	1.8
1109.09436	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
50.02307	1.6
52.87938	2.0
55.76186	1.6
56.60332	1.9
63.49533	1.7
67.01897	74.6
67.31703	1.6
68.02209	3.1
69.45808	12.0
80.01542	1.7
83.01389	4.6
89.73424	1.6
91.62916	1.8
95.67551	2.0
98.22639	1.9
105.92804	1.8
111.00891	100.0
112.01222	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	1111.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
82.03002	4.9
84.04587	2.4
86.02484	12.9
87.05656	8.0
88.04018	2.0
96.99947	6.6
97.04104	2.5
99.05646	28.0
101.07225	7.5
102.05641	7.0
106.25778	2.0
107.06214	2.3
109.04083	11.9
110.00734	6.4
111.05664	5.1
112.04075	6.0
123.05655	2.8
125.03630	6.1
127.05176	4.0
128.03552	86.1
135.05676	14.8
137.07228	2.0
141.06732	4.2
143.04633	100.0
143.80669	2.0
144.05038	2.2
145.06218	4.4
146.04593	10.5
149.07231	2.0
153.06741	6.1
166.09911	6.6
167.04680	6.5
167.08328	6.7
170.03284	3.1
179.04633	30.6
181.06314	3.4
183.11041	1.9
192.07889	3.6
194.10059	9.6
197.05679	2.9
197.82803	1.7
199.88599	1.9
209.11798	15.1
210.08844	27.8
221.08939	2.5
222.09595	24.6
228.09920	3.3
236.37218	2.1
239.09871	3.1
240.10585	9.4
254.07863	50.6
255.08411	3.2
272.08896	93.1
273.09375	3.5
306.07867	4.7
307.08035	2.3
342.15488	8.0
360.16333	20.0
361.17090	2.2
489.65604	1.9
544.40076	2.1
596.25726	3.6
806.37964	6.6
950.43439	6.7
982.45416	4.9
1017.47943	7.6
1049.50647	5.9
1050.50745	2.8
1061.46545	23.1
1062.46753	5.7
1079.47424	72.0
1080.47986	22.6
1093.49304	9.7
1094.50647	4.8
1111.50195	73.0
1112.50513	24.0
1123.14539	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	1115.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01891	1.0
89.03986	0.7
93.03487	1.2
95.01401	8.5
97.02966	0.7
101.03963	0.7
105.03454	0.6
107.01405	2.0
109.03001	0.7
113.02417	0.6
117.03483	2.7
119.05039	2.5
119.09515	0.6
121.02951	0.9
123.00906	17.1
125.01542	0.8
125.02464	13.9
129.03502	2.0
131.01405	1.1
132.02196	0.9
133.02994	1.7
135.04555	1.2
137.02478	1.6
139.00397	2.0
141.01982	0.7
141.03447	0.6
143.01407	0.7
145.02974	6.6
146.03522	0.6
147.00887	0.8
147.04555	5.5
148.01714	0.8
149.02443	1.1
157.02977	4.5
159.00897	1.3
160.01723	1.0
161.02461	5.2
163.00394	2.5
163.04025	5.1
164.01266	0.7
165.01938	1.2
166.99890	5.8
169.01450	12.5
171.00890	2.7
172.01671	1.0
173.02455	7.8
174.03139	1.3
175.04045	5.2
177.01979	2.0
179.03545	1.0
181.09157	0.5
183.04440	0.6
185.02417	2.6
187.04167	0.6
189.01956	3.5
190.02693	1.8
190.99884	1.0
191.03529	12.1
193.01466	1.0
199.00336	2.7
200.01137	1.7
201.01968	13.1
202.02417	0.9
203.03496	5.8
204.03940	0.6
205.01410	1.1
209.00943	2.5
211.00586	0.7
211.04112	0.5
214.02660	0.9
214.99902	1.2
216.00650	1.0
217.01469	6.7
218.99449	0.7
219.02998	5.5
226.99948	3.2
228.00668	1.4
229.01440	11.4
230.02133	1.8
231.03029	4.7
235.02440	3.1
242.99388	1.0
243.03023	0.9
243.99992	0.8
245.00940	6.8
246.01584	0.6
247.02496	20.8
248.02895	1.4
254.99370	1.3
257.00961	1.8
261.00479	0.6
263.01968	5.3
268.53189	0.6
269.04697	0.6
270.98871	3.4
273.00427	11.0
275.02014	4.3
283.02448	0.9
289.00177	0.8
291.01508	4.9
298.98456	7.5
299.01697	1.2
299.99066	2.1
300.99966	10.2
302.00281	0.8
313.05658	1.7
315.01563	0.8
316.99368	0.8
335.00330	3.1
389.05383	0.8
399.03516	1.0
401.01611	1.4
403.03232	1.4
417.04907	1.4
433.04279	0.7
443.02548	1.2
445.04208	0.9
458.25034	0.6
461.03677	1.5
483.07922	4.4
561.06055	0.6
569.06128	0.7
587.07141	3.0
603.06329	6.7
613.04773	100.0
614.05054	11.9
614.14911	0.6
631.05768	23.0
632.06183	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	1115.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
79.31319	1.1
83.01370	1.8
85.29910	1.0
90.14830	1.0
104.75623	1.1
107.01402	3.0
109.02956	1.7
116.79023	1.1
121.02931	2.3
125.02484	2.1
135.00917	1.7
148.01695	1.2
151.00377	11.7
153.88222	1.1
159.04631	1.1
161.02473	2.8
163.00365	3.4
169.01421	1.6
178.99879	5.9
182.54431	1.0
183.39709	1.1
199.04034	1.3
211.04048	1.9
226.02747	2.3
227.03418	5.2
243.03029	12.0
245.04515	2.3
254.02293	2.5
255.03015	32.2
256.03448	2.7
271.02502	68.4
272.02997	5.0
273.04169	1.6
299.01953	3.0
300.02765	98.8
301.03500	46.1
302.03909	3.1
315.05200	8.6
323.07629	1.1
356.61090	1.0
433.07846	1.3
463.08902	23.8
464.09329	2.3
475.08798	21.0
476.09552	1.5
477.10608	4.6
625.31403	1.1
639.13574	100.0
640.13879	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	1120.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
80.10455	1.9
86.07200	2.0
92.21580	2.0
98.22571	2.4
117.03480	33.2
118.03797	1.9
119.05057	6.6
132.02197	39.0
133.02960	3.4
134.03777	12.4
135.04578	3.7
139.79620	2.5
145.02971	64.1
160.01675	100.0
161.02486	11.8
163.04016	4.2
164.04460	1.8
175.04019	87.6
176.04398	3.3
179.03500	4.4
193.05058	10.5
216.16414	1.9
232.05907	2.2
293.49069	2.1
408.08459	2.1
483.12860	4.6
489.31750	2.0
524.75885	2.3
735.21582	4.8
804.89044	2.1
821.23169	2.7
839.24683	4.0
863.23480	3.8
881.25281	28.6
882.25073	9.9
911.26257	5.9
997.27350	11.1
998.27264	3.5
1057.29773	62.5
1058.30212	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
79.15955	0.3
89.03979	0.7
93.03481	0.4
98.21751	1.4
109.91747	0.4
117.03481	32.8
118.03832	1.0
118.57218	0.4
119.01406	3.7
119.05035	5.8
132.02159	2.3
134.03764	1.1
145.02966	61.2
146.03256	2.3
150.73645	0.4
160.01683	5.2
161.02419	0.7
163.04025	4.7
165.05611	0.5
175.04042	4.2
187.03960	0.8
193.05031	0.5
193.06538	1.0
209.06097	0.7
209.61198	0.4
217.04936	0.7
221.06056	3.1
228.74702	0.4
230.05888	0.4
234.06770	0.4
235.03978	0.8
236.04753	0.6
237.05638	3.2
241.27809	0.4
247.03998	0.5
248.04744	1.0
249.05586	7.3
250.05908	0.7
251.07101	0.7
263.03436	0.5
264.04297	2.1
265.05060	19.4
266.05426	1.2
267.06668	0.6
275.03571	1.1
276.04251	1.2
277.01440	0.7
277.05081	0.7
278.05746	0.5
279.06604	2.9
280.07449	2.4
292.03809	1.5
293.04581	13.3
294.04953	1.2
304.03680	0.9
307.06061	3.6
308.06897	12.8
309.07303	1.2
310.08527	0.6
319.06085	3.0
321.03976	4.0
325.10861	0.5
335.05722	2.0
336.06418	46.9
337.06799	3.3
351.08752	100.0
352.09085	9.1
453.11954	1.3
469.13614	0.4
486.15460	0.7
487.14981	1.3
615.17456	0.8
633.18341	12.9
634.18634	1.3
634.68878	0.4
779.22064	11.7
780.22424	2.6
839.24884	0.7
985.27661	0.7
1131.32019	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	1133.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
93.91394	0.9
95.01378	7.0
97.02944	1.1
107.01404	5.0
107.05054	1.0
117.03466	1.1
119.05043	1.4
123.00896	15.5
123.04547	0.9
124.01727	1.9
125.02460	100.0
126.02809	3.0
130.01280	0.8
130.46667	0.8
133.02954	1.9
137.02431	2.0
139.00366	3.1
140.01199	1.1
141.01981	1.7
145.02950	4.8
147.04558	5.6
149.02451	1.7
151.00378	2.2
151.56200	0.9
157.02959	3.6
159.04575	1.2
160.01596	1.2
161.02470	3.3
163.00349	2.1
163.04036	2.8
165.02063	2.2
166.99837	6.4
167.03484	1.0
168.00668	6.2
169.01439	74.4
170.01782	2.4
171.00888	1.5
173.02466	6.3
175.04045	4.9
177.01935	2.1
185.02441	1.3
189.01932	3.4
190.99861	1.7
191.03529	9.8
193.01416	3.7
199.00291	2.7
200.01157	0.9
201.02007	9.2
203.03494	4.3
209.00925	2.9
211.02489	7.9
217.01448	5.9
219.02985	4.4
226.99895	3.3
229.01396	12.7
230.02060	2.1
231.03052	5.2
235.02400	1.5
245.00949	5.2
247.02498	21.2
248.02806	1.7
254.99152	0.9
257.00977	1.7
263.01944	3.3
270.98770	2.4
271.04657	7.5
273.00418	11.3
275.01926	4.1
287.07800	7.3
288.99844	1.1
291.01553	4.7
298.98334	6.7
299.99063	3.0
300.99948	10.4
302.00327	1.0
313.05652	9.3
316.99554	1.0
331.06732	22.3
332.06989	1.2
335.00458	2.1
403.02991	1.5
415.23740	1.1
417.04373	1.3
439.08838	40.1
440.09274	3.3
443.02686	1.3
445.03827	1.4
465.06714	1.1
483.07874	55.5
484.08392	5.9
587.07068	2.3
603.06049	3.8
605.07703	1.7
613.04767	81.0
614.04901	11.1
631.05786	39.2
632.06512	4.6
632.14978	1.0
633.07275	1.1
756.62909	0.9
786.02258	1.1
1146.04639	1.2
1163.71130	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	1133.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
78.44169	0.2
81.61547	0.2
85.02974	0.2
87.00911	0.2
89.03989	1.3
90.22876	0.1
93.03468	0.6
95.17628	0.1
97.54479	0.1
99.92602	0.2
101.02453	0.3
108.02187	0.2
113.02448	0.3
116.02686	0.4
116.92831	0.3
117.03480	61.7
118.03809	1.7
119.05041	11.5
119.05922	0.2
120.05378	0.2
121.02957	0.3
130.04292	0.2
143.05095	0.3
145.02971	100.0
146.03290	3.4
147.04541	0.4
153.59856	0.2
158.03723	0.3
159.04506	0.4
161.06122	0.6
163.04030	7.5
164.04463	0.3
171.04568	0.2
173.02498	0.4
173.06123	0.4
174.03275	0.8
187.04016	1.0
191.07098	0.2
202.02844	0.2
203.03523	0.2
205.04953	0.2
209.06030	0.3
217.05016	1.2
221.06171	0.3
223.07553	0.2
229.05093	0.2
235.06090	0.9
237.05563	0.9
238.06134	0.2
239.06998	0.2
248.04652	0.3
249.05563	0.5
251.07079	0.4
252.07405	0.2
263.07086	0.2
265.05057	0.9
265.08636	0.2
266.05844	0.4
267.06613	1.6
268.07367	0.4
269.22177	0.1
277.05017	0.3
278.05923	0.3
279.06610	0.5
280.07355	0.3
281.08173	0.5
282.09006	0.6
283.09744	0.4
289.07214	0.5
292.07428	0.2
293.04633	1.0
293.07849	0.2
294.05347	0.5
294.08997	0.7
295.06094	0.4
295.09705	0.3
297.11316	0.4
298.27719	0.1
306.05289	0.1
307.08221	0.5
308.06863	1.7
309.07779	1.8
309.11237	0.2
310.08389	0.3
313.25171	0.1
320.07266	0.2
321.07629	0.3
323.05658	0.3
323.09201	3.2
324.09943	0.4
326.08148	0.2
327.08545	0.3
338.08057	1.1
339.08731	0.4
341.10397	1.2
353.10312	2.8
354.10773	0.3
361.58572	0.1
369.09573	0.1
381.09714	0.3
383.11481	0.6
395.11349	0.4
443.13507	0.3
453.11932	2.4
471.13376	0.3
485.14313	0.3
487.15036	0.2
515.15558	0.2
615.17352	0.3
633.18091	0.9
634.18115	0.3
691.14722	0.2
779.21985	1.5
780.21973	0.2
791.21191	0.2
793.23492	0.5
805.23230	0.8
811.24579	1.6
812.24445	0.2
823.24573	3.6
824.24835	0.8
844.26257	0.2
851.24084	0.7
939.27014	0.3
940.28345	0.2
951.27350	1.1
952.28424	0.2
957.28302	8.3
958.28711	1.9
969.28229	10.6
970.28546	2.7
987.28857	0.6
997.27704	1.4
998.28088	0.4
1103.31921	10.9
1104.10071	0.2
1104.32336	3.5
1115.31958	6.7
1116.31982	1.9
1133.32764	1.5
1134.32703	0.4
1156.28381	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	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
52.23145	2.1
55.99398	1.9
58.21130	2.2
65.56702	2.2
69.14945	10.0
69.15358	8.3
71.01389	100.0
71.57883	1.8
72.01729	2.8
115.00390	7.7
121.54845	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	115.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25431	2.5
59.01372	5.1
60.90953	2.5
67.97345	2.8
70.43356	5.2
70.43709	8.2
71.01389	100.0
73.63820	2.9
89.01454	2.8
106.62104	2.6
114.93403	8.2
115.00377	7.3
115.92057	2.7
116.02541	4.0
116.07180	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	115.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78858	6.6
68.99549	10.9
69.03472	14.3
71.01388	100.0
71.05022	61.4
78.53089	6.4
87.04522	14.2
89.01472	15.3
89.92971	6.7
97.93140	13.0
98.21814	17.2
99.92558	10.9
112.95441	8.5
114.93427	29.4
115.00385	10.7
115.04026	87.5
115.07623	6.5
115.92121	16.7
116.02559	31.7
116.07195	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	115.0403
Annotation	3-Methyl-2-oxobutanoic acid
Peak:m/z	Relative Intensity
65.78858	6.6
68.99549	10.9
69.03472	14.3
71.01388	100.0
71.05022	61.4
78.53089	6.4
87.04522	14.2
89.01472	15.3
89.92971	6.7
97.93140	13.0
98.21814	17.2
99.92558	10.9
112.95441	8.5
114.93427	29.4
115.00385	10.7
115.04026	87.5
115.07623	6.5
115.92121	16.7
116.02559	31.7
116.07195	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	115.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	1.8
60.56011	1.5
65.92693	1.4
71.01379	3.6
71.05036	2.3
73.02953	13.2
82.82777	1.8
85.06599	5.7
97.93128	1.6
101.54901	1.9
113.06150	1.4
115.07636	12.5
116.02528	2.2
116.05077	100.0
116.07178	5.5
125.19723	1.8
125.24450	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	115.0767
Annotation	cis-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
70.50383	19.9
70.50783	19.4
71.01380	28.1
73.02958	100.0
85.06599	54.3
91.76148	10.3
97.06601	13.4
97.93146	10.3
113.06065	22.5
114.93428	22.1
115.07666	84.2
116.02599	18.2
116.07172	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	115.0767
Annotation	cis-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
54.45405	10.8
58.00598	13.7
60.85543	11.0
69.16457	100.0
71.01374	29.2
71.05003	10.8
73.02950	89.8
82.34779	10.1
85.06602	41.3
89.01456	18.0
90.22722	10.6
95.79942	10.9
97.06584	12.8
97.93150	10.9
114.93382	37.4
115.07671	95.2
116.02551	29.8
116.07198	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	1151.341
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00877	0.2
89.03999	1.3
93.03473	1.2
97.02892	0.2
101.02465	0.2
105.03532	0.2
108.02206	0.2
109.02983	0.2
113.02472	0.2
116.02694	0.4
117.03484	61.0
118.03815	2.1
119.05042	10.2
120.05346	0.3
121.03003	0.9
122.03737	1.2
123.04549	0.5
125.02374	0.2
130.04242	0.3
131.05119	0.2
132.02191	0.7
133.02989	1.2
134.03757	1.7
135.04535	0.7
143.05025	0.4
145.02972	100.0
146.03311	3.7
147.04500	0.4
149.02441	0.9
149.06122	0.5
150.03238	3.5
151.04005	0.4
159.04556	0.5
160.01688	2.3
161.02463	1.5
161.06096	0.6
163.04031	7.5
163.05423	0.4
164.04373	0.3
165.05618	2.0
171.04549	0.2
173.06102	0.5
175.04033	2.7
176.04811	0.5
177.05569	0.3
178.02835	0.4
179.03542	0.8
180.04114	0.2
187.04018	1.2
191.07161	0.6
192.07370	0.2
193.05092	1.4
195.06659	0.6
203.03571	0.3
205.05064	0.4
217.05019	0.9
228.89153	0.3
235.06136	1.5
236.06523	0.2
265.07132	0.2
289.07297	0.7
292.15186	0.2
295.08282	0.2
304.49191	0.2
307.08325	0.6
321.51309	0.2
323.07849	0.3
326.79926	0.2
333.88928	0.2
363.08850	0.2
369.90515	0.2
453.11963	3.0
454.12161	0.3
487.14722	0.3
501.14215	0.2
599.16284	0.2
615.17426	0.5
633.18280	1.4
645.18408	0.7
663.19434	3.4
761.20728	0.2
779.21869	2.1
780.22650	0.4
791.21588	1.5
792.23022	0.3
807.22339	0.3
808.22223	0.4
809.23053	17.8
810.23511	3.7
811.24567	0.6
823.24512	0.4
859.27228	0.3
863.24304	1.4
864.26215	0.2
876.52130	0.2
939.27277	0.4
953.25323	0.6
954.25726	0.9
955.26709	23.1
956.26941	5.8
957.28271	2.2
958.28137	0.4
969.27966	0.6
970.28741	0.2
987.29462	0.4
1005.30255	2.2
1006.30261	0.5
1009.27789	1.8
1010.28357	0.6
1103.32019	2.5
1104.31885	1.0
1133.32288	0.5
1151.34045	4.1
1152.34473	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	1151.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00877	0.4
89.03980	1.6
93.03471	0.8
101.02460	0.3
103.75557	0.2
108.02148	0.2
109.02961	0.8
116.02680	0.4
116.46305	0.2
117.03481	58.4
118.03822	2.2
119.05041	12.1
120.05330	0.3
121.02992	0.5
122.03741	0.4
123.04522	0.3
130.04237	0.2
132.02153	0.5
133.02983	0.4
133.06601	0.4
134.03749	1.1
135.04562	0.3
136.01697	1.0
145.02969	100.0
146.03304	3.7
147.04582	0.3
149.02437	0.6
150.03267	1.3
151.04034	0.9
158.03729	0.7
159.04539	1.5
160.01663	1.3
160.05225	0.2
161.02409	0.9
161.06119	0.6
163.04031	8.5
164.04449	0.4
165.05591	0.9
168.86406	0.3
171.02867	0.2
171.04471	0.5
173.06071	1.0
175.04048	2.0
176.04805	0.4
179.03549	0.3
182.89078	0.2
187.04019	0.9
189.05637	0.8
191.07198	0.5
193.05022	0.8
201.05463	0.2
209.81120	0.2
217.05057	1.0
219.06660	0.2
227.03551	0.3
229.04839	0.3
235.06117	1.3
266.05685	0.3
267.06656	0.6
279.06650	1.0
281.08212	0.4
282.09039	0.6
285.07666	0.6
286.08557	0.3
287.09293	0.3
289.07254	0.5
294.08987	0.5
297.11069	0.4
307.08282	0.8
312.10010	0.5
327.12396	2.3
353.10318	3.4
371.11237	0.5
389.12396	0.9
453.11917	3.2
464.17154	0.5
465.17401	0.4
469.13760	1.1
487.14566	2.4
597.16595	0.3
615.17352	3.3
633.18311	11.4
634.18842	1.3
663.19135	1.5
664.20038	0.3
729.19312	0.3
745.94507	0.3
761.20911	1.7
779.21948	9.1
780.22296	1.6
791.21533	0.6
793.22784	0.5
809.23120	6.0
810.23260	0.9
811.24060	0.5
823.22778	0.3
841.24860	0.8
859.26190	0.6
863.23401	0.7
954.25385	0.3
955.26672	5.1
956.26398	1.2
957.28363	1.9
958.28589	0.3
969.28326	0.3
987.29968	1.7
988.28253	0.4
1005.30670	2.8
1006.29987	0.6
1009.27374	0.5
1103.31372	1.6
1104.31177	0.4
1133.33557	1.5
1134.33582	0.4
1151.34338	2.4
1152.33752	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	1155.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	1.3
84.02187	2.2
85.02961	100.0
86.03294	2.0
91.75048	1.0
93.03448	1.7
111.00883	2.0
117.03493	13.0
119.05046	20.3
129.01952	6.1
137.02480	1.0
145.02974	42.2
147.03018	16.9
147.04483	1.9
163.04037	12.0
173.02432	2.4
175.03984	1.1
185.02408	1.2
189.02022	1.8
191.01994	75.5
192.02351	2.9
201.01999	2.3
203.03513	2.1
203.07135	2.3
217.01469	2.1
223.85030	1.0
227.00008	2.3
229.01418	4.4
229.29930	1.5
231.03062	1.8
231.06610	11.8
245.00917	3.9
247.02504	3.0
249.03801	1.3
257.01016	1.7
270.98779	1.8
273.00439	4.3
275.01987	6.0
293.06824	1.6
298.98486	3.2
299.99207	1.5
300.99936	13.1
333.49939	1.0
337.05692	75.8
338.06015	5.4
378.43924	1.1
655.80695	1.2
745.03284	3.9
762.91492	1.3
763.03473	5.9
764.04968	1.2
781.05164	6.8
799.06555	2.2
840.68707	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	1155.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02972	4.8
103.64481	1.0
123.00876	1.6
125.02448	2.1
129.01968	2.2
135.04582	1.4
137.02440	1.2
139.38521	1.0
145.02931	3.6
147.04533	2.2
147.73055	1.1
157.02997	1.8
159.04561	2.5
161.02475	2.3
163.00368	1.2
163.04034	2.0
165.01828	1.6
173.00986	2.3
173.02464	4.8
175.04066	3.4
185.02458	5.2
189.01982	1.5
191.01993	6.4
191.03539	3.6
201.01881	6.9
203.03561	7.2
205.01619	1.8
213.01985	1.6
214.02638	1.0
214.84184	1.1
217.01414	2.4
229.01442	11.5
231.02979	6.3
245.00853	5.6
247.02480	4.5
249.04034	6.4
257.00940	13.5
258.01620	5.1
273.00427	3.9
274.01208	2.9
275.01999	41.6
276.02307	4.2
283.99622	3.6
298.98444	1.4
299.99167	4.7
300.99924	100.0
302.00266	9.9
341.90176	1.1
413.87805	1.2
463.05420	3.6
481.06467	2.6
745.02704	1.9
757.08368	2.6
763.04486	2.7
765.05322	2.3
781.05280	2.9
783.06934	66.0
784.07135	12.1
801.08191	15.0
802.08270	3.1
948.48883	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	116.0509
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.65145	0.3
59.01370	0.7
59.25436	0.4
59.92317	0.4
68.21721	0.4
71.05025	1.0
71.25957	0.7
73.02956	15.3
74.02478	0.5
75.00872	0.4
78.72539	0.3
82.08392	0.4
89.01463	1.2
99.00899	1.0
99.92595	46.7
102.77049	0.4
104.91151	0.4
114.14055	0.4
115.92086	4.5
116.02567	3.6
116.05078	44.4
116.07192	2.8
116.92873	100.0
117.01973	1.6
117.05421	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	1163.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03992	1.3
93.03488	0.6
108.02220	0.8
108.09679	0.4
109.02965	0.5
116.02727	0.5
117.03482	62.0
118.03798	2.2
119.05042	10.2
121.02938	0.5
132.02185	4.0
133.02963	1.4
134.03746	4.4
135.04541	0.9
143.05098	0.6
145.02971	100.0
146.03288	3.4
147.04541	0.5
149.06079	0.6
155.27504	0.4
158.03726	0.9
159.04555	0.8
160.01685	7.0
160.02922	0.7
161.02493	2.5
162.03230	0.4
163.04025	6.1
171.04555	0.5
173.02438	1.4
173.06102	0.4
174.03271	3.6
175.04007	6.9
176.04654	0.9
178.02747	0.4
179.03557	0.9
182.68256	0.4
187.04065	0.6
188.04808	0.6
191.07149	1.2
193.05069	3.5
202.02809	0.9
209.06163	0.8
215.03470	0.6
217.05093	1.6
219.04575	0.6
220.03702	0.5
221.06107	0.8
235.06148	1.5
237.05618	2.1
239.07204	0.5
247.03970	0.4
248.04723	0.5
249.05585	1.3
251.07275	1.0
264.04266	0.5
265.05008	3.5
265.07330	0.5
267.06677	1.6
277.05078	1.3
278.05936	0.5
279.06577	1.0
280.07266	0.8
282.09274	0.5
293.04721	2.5
293.07675	0.5
294.05429	0.6
294.09000	1.4
295.08505	0.9
305.04605	0.7
308.06912	4.4
309.07693	1.4
320.06873	0.6
323.05505	0.9
323.09296	10.5
324.09677	0.7
338.08075	0.5
339.08868	0.9
341.10434	1.2
353.10263	6.3
383.11426	0.5
453.12192	1.1
475.02359	0.4
631.18530	0.4
643.18341	0.9
645.18317	1.9
659.18604	0.4
663.20081	0.5
791.21619	1.4
792.22400	0.6
809.22589	3.1
810.23004	0.7
823.23932	1.1
835.24066	1.1
841.25659	0.8
853.25897	2.5
881.24292	0.8
957.26270	0.5
969.28253	1.3
970.28320	0.5
981.27747	1.4
987.29437	7.0
988.29181	1.7
999.29376	12.5
1000.29871	3.6
1017.30487	0.7
1027.27966	1.0
1133.33252	12.5
1134.33130	4.0
1145.33081	10.4
1146.33850	3.2
1163.33057	1.8
1164.33887	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	1163.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03965	1.3
92.52808	0.3
92.59538	0.3
93.03430	0.4
98.21769	0.9
100.60983	0.3
101.02460	0.3
108.98964	0.3
113.02481	0.3
114.30680	0.3
117.03477	58.6
118.03815	1.9
119.05045	11.3
120.05382	0.6
121.02967	0.4
121.86676	0.3
123.00837	0.4
132.02208	0.4
134.03767	0.4
140.57561	0.3
143.05118	0.3
145.02968	100.0
146.03302	3.3
147.04568	0.6
152.50044	0.3
159.04440	0.3
159.39561	0.3
160.01692	0.5
161.06065	0.4
163.04024	6.5
171.04654	0.3
173.02454	0.3
173.06093	0.4
174.03239	0.9
175.03981	0.7
177.05565	0.4
187.04044	1.2
205.05040	0.5
217.05054	0.8
229.52591	0.4
235.06238	0.6
237.05663	0.4
241.30537	0.3
263.03568	0.4
265.05215	0.5
267.06662	0.4
280.03928	0.5
282.05313	0.4
289.07425	0.7
295.06152	0.7
297.07599	0.7
308.03317	0.8
309.04181	0.3
309.07727	0.5
310.08536	0.3
313.10831	0.5
319.06021	0.3
323.05646	0.7
323.09167	0.3
324.06491	0.4
338.08032	1.1
339.08798	1.8
353.10391	2.8
357.09653	0.3
359.55862	0.3
368.09033	0.7
369.09509	0.7
371.11395	0.9
383.11447	1.3
413.12463	0.5
425.12476	0.4
443.12985	0.4
453.11954	2.6
473.14142	0.5
515.15820	0.4
533.17053	0.3
595.26080	0.3
798.36456	0.3
835.24158	0.9
841.25421	1.3
851.23883	0.8
853.25671	4.4
854.26007	0.8
969.27338	0.5
981.28247	1.2
987.29327	8.4
988.29388	2.2
997.27454	1.7
999.29352	10.9
1000.29706	2.8
1017.30054	0.6
1133.32996	12.8
1134.32837	4.6
1145.32971	8.6
1146.33044	2.5
1163.33240	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	1163.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
87.61691	0.3
89.03998	1.3
93.03506	0.8
98.21715	0.4
108.02164	0.5
114.17259	0.4
116.02718	0.4
117.03484	56.7
118.03833	2.2
119.05038	9.3
121.02914	0.5
131.05077	0.3
132.02193	9.3
133.03018	0.6
134.03751	2.8
135.04538	0.9
137.02446	0.4
145.02972	100.0
146.03308	4.4
147.04501	0.5
148.05258	0.3
149.06062	0.6
150.55998	0.4
158.03790	0.4
159.04430	0.5
160.01678	16.8
161.02464	1.6
161.06134	0.4
163.04039	5.8
173.02466	0.6
173.05972	0.5
174.03233	1.5
175.04027	16.2
176.04318	0.5
177.05638	0.4
178.02687	0.6
187.04050	0.9
191.07098	0.4
193.05087	2.6
202.02705	0.4
214.02676	0.4
217.05052	1.6
220.03798	0.3
229.05072	0.4
235.06117	1.2
237.05540	0.6
239.07207	0.4
248.04877	0.4
249.05597	0.5
251.07118	0.8
263.07147	0.4
265.05115	1.6
266.05704	0.4
267.06677	2.2
268.07166	0.3
277.04910	0.8
279.06570	0.6
281.08212	0.5
282.08984	0.6
283.09436	0.4
283.15836	0.3
289.07297	0.7
293.04568	1.2
294.05292	0.7
294.08856	0.5
295.06235	1.0
296.97974	0.3
297.11185	0.4
308.06949	1.3
309.07700	2.0
310.08466	0.6
321.07703	0.4
322.08337	0.4
323.09177	3.2
327.09009	0.3
338.08084	2.7
339.08765	1.1
341.10413	1.5
353.10355	6.8
354.10580	0.5
383.11508	0.6
395.11331	0.6
443.13632	0.7
453.11945	1.1
483.12967	1.8
645.18005	0.8
663.19476	1.6
795.98877	0.4
805.23248	0.6
809.23456	3.3
810.23309	0.6
811.24133	0.9
823.24548	2.5
824.24084	0.5
835.24115	0.5
841.24994	0.6
853.25562	2.0
881.25079	0.6
951.27423	0.5
957.29218	2.0
969.28564	4.0
970.28296	1.1
981.27667	0.8
987.29407	7.6
988.29730	1.7
999.29395	10.5
1000.29425	2.3
1017.30585	1.4
1027.28186	1.0
1133.33228	14.6
1134.33655	4.6
1145.32861	10.3
1146.33276	3.1
1163.34814	3.1
1164.33533	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	1169.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	2.8
93.03457	2.0
94.65549	1.1
95.05065	1.5
97.02957	1.9
98.22408	1.2
107.01400	1.6
108.02206	2.3
109.02956	15.3
117.03484	1.5
120.02258	0.9
121.02985	2.7
123.00912	2.6
123.04535	8.3
124.01720	1.1
125.02460	100.0
126.01219	0.9
126.02821	6.2
132.02200	1.3
133.02975	7.9
134.03740	1.2
135.04564	5.6
137.02460	11.7
139.04051	1.1
145.02951	5.8
147.04613	1.3
149.02480	5.2
150.03210	1.4
151.00455	1.7
151.04016	10.2
155.05101	1.2
158.03731	1.4
159.04556	6.9
161.02458	28.9
161.06084	2.5
162.03290	1.6
163.00410	4.1
163.04036	4.5
164.01169	4.9
165.01936	5.5
167.03497	1.5
169.01443	25.4
170.01804	2.0
171.04523	1.8
173.02411	1.7
173.05968	1.4
174.03229	1.3
175.04002	9.5
177.01933	9.6
177.05621	1.7
179.03580	1.7
182.03838	1.1
183.04485	3.2
185.02527	1.2
185.06055	2.6
187.04015	8.0
188.04649	1.1
189.01900	2.1
191.03331	1.2
192.94077	1.0
193.01469	3.8
197.06082	2.9
198.03325	1.0
199.03993	4.9
201.01883	2.8
201.05602	5.4
203.03517	1.5
203.07159	3.8
205.01434	1.7
205.05093	3.8
211.04016	3.3
213.05637	2.3
214.02946	1.1
217.05124	4.5
219.03018	1.4
223.03966	1.2
225.05479	4.8
227.03529	6.2
228.04250	2.0
229.05103	4.5
231.03012	2.7
237.05557	1.2
239.03488	1.4
241.05110	5.5
243.03008	17.0
243.06676	1.5
244.03471	2.7
245.04564	13.9
245.08127	5.2
246.04875	2.0
251.03389	2.0
253.05093	4.1
255.02992	15.8
256.03857	6.0
257.04617	5.6
265.05093	1.8
267.02969	3.3
267.06589	1.2
268.03818	2.0
269.04547	27.6
270.05066	2.9
271.06119	6.2
273.03928	2.1
280.03717	1.7
281.04663	6.7
282.01840	1.2
283.02444	3.3
283.05914	2.5
285.04071	7.6
287.05609	15.5
288.06039	1.0
289.07227	19.8
290.07745	1.5
293.04633	2.8
293.07889	1.1
294.05426	1.3
295.02896	1.1
295.06183	1.2
297.04160	2.3
299.05521	1.4
303.04996	4.5
305.04770	1.1
306.05203	1.2
307.06171	1.7
309.04208	1.6
309.07748	1.7
310.04657	1.4
311.05573	1.4
313.03543	3.5
315.06595	1.3
315.26962	1.0
319.06210	1.6
321.07648	2.1
323.05814	1.5
331.05899	1.4
335.05609	1.8
339.08829	2.1
343.06049	1.1
347.05832	1.3
351.08789	1.1
359.05859	1.6
363.08749	2.4
375.05032	1.8
381.09589	1.4
387.04990	2.7
389.06595	8.8
395.07715	3.5
401.07129	1.3
405.06128	2.3
407.07727	46.5
408.08121	5.7
415.08203	2.0
417.06082	2.1
419.07571	5.4
421.09671	1.2
425.08258	1.2
431.07880	2.3
433.09378	9.1
437.09018	2.2
439.07211	2.9
441.08469	5.6
449.08875	4.4
450.09720	1.1
451.10468	7.9
515.13452	2.1
525.08154	5.9
541.11542	9.1
542.12256	1.4
543.09387	3.0
551.09698	4.0
557.11005	1.8
559.12781	16.5
560.12317	2.7
569.10791	9.0
570.11414	2.1
577.13898	5.1
585.10333	1.1
587.11890	3.2
595.12256	1.3
603.11444	9.6
613.14429	1.6
651.14508	1.5
659.11798	3.9
677.13354	11.5
678.13293	2.9
693.12994	1.3
695.13831	10.7
696.13123	1.8
703.14301	4.1
711.13568	5.1
721.14471	8.0
729.14789	13.8
730.14673	1.4
739.13959	4.7
765.14404	2.9
785.20117	1.1
811.15753	1.4
829.16205	7.3
830.17682	1.5
847.15063	10.0
848.15356	1.2
873.16010	3.4
881.14917	2.1
891.18365	7.6
892.17371	1.6
999.17621	2.7
1000.19293	1.3
1017.20251	5.1
1018.21118	1.3
1043.20117	2.2
1170.21179	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	1169.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	2.8
93.03457	2.0
94.65549	1.1
95.05065	1.5
97.02957	1.9
98.22408	1.2
107.01400	1.6
108.02206	2.3
109.02956	15.3
117.03484	1.5
120.02258	0.9
121.02985	2.7
123.00912	2.6
123.04535	8.3
124.01720	1.1
125.02460	100.0
126.01219	0.9
126.02821	6.2
132.02200	1.3
133.02975	7.9
134.03740	1.2
135.04564	5.6
137.02460	11.7
139.04051	1.1
145.02951	5.8
147.04613	1.3
149.02480	5.2
150.03210	1.4
151.00455	1.7
151.04016	10.2
155.05101	1.2
158.03731	1.4
159.04556	6.9
161.02458	28.9
161.06084	2.5
162.03290	1.6
163.00410	4.1
163.04036	4.5
164.01169	4.9
165.01936	5.5
167.03497	1.5
169.01443	25.4
170.01804	2.0
171.04523	1.8
173.02411	1.7
173.05968	1.4
174.03229	1.3
175.04002	9.5
177.01933	9.6
177.05621	1.7
179.03580	1.7
182.03838	1.1
183.04485	3.2
185.02527	1.2
185.06055	2.6
187.04015	8.0
188.04649	1.1
189.01900	2.1
191.03331	1.2
192.94077	1.0
193.01469	3.8
197.06082	2.9
198.03325	1.0
199.03993	4.9
201.01883	2.8
201.05602	5.4
203.03517	1.5
203.07159	3.8
205.01434	1.7
205.05093	3.8
211.04016	3.3
213.05637	2.3
214.02946	1.1
217.05124	4.5
219.03018	1.4
223.03966	1.2
225.05479	4.8
227.03529	6.2
228.04250	2.0
229.05103	4.5
231.03012	2.7
237.05557	1.2
239.03488	1.4
241.05110	5.5
243.03008	17.0
243.06676	1.5
244.03471	2.7
245.04564	13.9
245.08127	5.2
246.04875	2.0
251.03389	2.0
253.05093	4.1
255.02992	15.8
256.03857	6.0
257.04617	5.6
265.05093	1.8
267.02969	3.3
267.06589	1.2
268.03818	2.0
269.04547	27.6
270.05066	2.9
271.06119	6.2
273.03928	2.1
280.03717	1.7
281.04663	6.7
282.01840	1.2
283.02444	3.3
283.05914	2.5
285.04071	7.6
287.05609	15.5
288.06039	1.0
289.07227	19.8
290.07745	1.5
293.04633	2.8
293.07889	1.1
294.05426	1.3
295.02896	1.1
295.06183	1.2
297.04160	2.3
299.05521	1.4
303.04996	4.5
305.04770	1.1
306.05203	1.2
307.06171	1.7
309.04208	1.6
309.07748	1.7
310.04657	1.4
311.05573	1.4
313.03543	3.5
315.06595	1.3
315.26962	1.0
319.06210	1.6
321.07648	2.1
323.05814	1.5
331.05899	1.4
335.05609	1.8
339.08829	2.1
343.06049	1.1
347.05832	1.3
351.08789	1.1
359.05859	1.6
363.08749	2.4
375.05032	1.8
381.09589	1.4
387.04990	2.7
389.06595	8.8
395.07715	3.5
401.07129	1.3
405.06128	2.3
407.07727	46.5
408.08121	5.7
415.08203	2.0
417.06082	2.1
419.07571	5.4
421.09671	1.2
425.08258	1.2
431.07880	2.3
433.09378	9.1
437.09018	2.2
439.07211	2.9
441.08469	5.6
449.08875	4.4
450.09720	1.1
451.10468	7.9
515.13452	2.1
525.08154	5.9
541.11542	9.1
542.12256	1.4
543.09387	3.0
551.09698	4.0
557.11005	1.8
559.12781	16.5
560.12317	2.7
569.10791	9.0
570.11414	2.1
577.13898	5.1
585.10333	1.1
587.11890	3.2
595.12256	1.3
603.11444	9.6
613.14429	1.6
651.14508	1.5
659.11798	3.9
677.13354	11.5
678.13293	2.9
693.12994	1.3
695.13831	10.7
696.13123	1.8
703.14301	4.1
711.13568	5.1
721.14471	8.0
729.14789	13.8
730.14673	1.4
739.13959	4.7
765.14404	2.9
785.20117	1.1
811.15753	1.4
829.16205	7.3
830.17682	1.5
847.15063	10.0
848.15356	1.2
873.16010	3.4
881.14917	2.1
891.18365	7.6
892.17371	1.6
999.17621	2.7
1000.19293	1.3
1017.20251	5.1
1018.21118	1.3
1043.20117	2.2
1170.21179	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	1169.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	3.7
84.59817	0.5
89.04010	0.7
93.03473	1.2
95.01396	1.2
95.05049	0.9
97.02958	1.8
107.01402	0.9
107.05059	0.9
107.12503	0.5
108.02205	1.1
109.02959	11.8
117.03485	1.2
119.05043	0.8
121.02985	2.3
123.00910	1.8
123.04554	6.1
124.01665	1.1
125.02459	100.0
126.02797	3.9
131.05037	1.9
133.02959	6.6
135.00864	0.9
135.04529	3.9
137.02461	13.7
138.02782	0.6
139.04036	1.4
145.02982	3.8
145.06627	0.7
146.03705	1.3
147.04555	1.6
149.02481	4.5
150.03262	1.2
151.00322	0.7
151.04034	10.2
155.05099	1.0
157.06569	0.8
159.04546	6.4
160.01675	0.6
161.02463	28.4
161.06076	3.1
162.02983	1.9
163.00389	3.4
163.04051	3.8
164.01140	4.6
165.01958	5.1
166.99748	0.7
167.03488	1.0
169.01439	20.2
169.06567	0.7
170.01889	1.0
171.04576	0.9
173.02460	1.1
173.06047	1.8
174.03185	1.4
175.04024	12.5
175.07846	0.6
176.01169	1.3
177.01933	9.4
177.05553	1.3
178.14522	0.6
179.03603	1.4
181.06639	0.6
182.03816	0.6
183.04512	2.6
184.30431	0.7
185.02466	1.2
185.06126	1.8
187.04005	5.0
188.04698	1.0
189.01944	3.0
189.05562	0.8
191.03526	1.5
193.01483	2.2
193.05084	1.0
197.06099	1.8
199.04080	6.6
199.07654	1.2
200.04715	0.9
201.01978	2.7
201.05612	4.9
202.06148	0.8
203.03564	3.3
203.07146	2.9
205.01520	1.3
205.03389	0.6
205.05101	3.7
209.06097	1.1
211.04025	2.7
213.01955	0.6
213.05598	1.7
214.02773	1.1
215.03552	2.0
217.05083	5.7
219.03070	2.6
223.04012	0.8
224.04727	0.8
225.05563	4.4
226.02689	0.7
226.06181	0.7
227.03557	4.3
227.07191	1.1
228.04218	1.3
229.05006	5.0
231.03040	2.5
237.05542	0.8
239.03522	1.1
240.04218	1.1
241.05084	3.9
243.02992	20.5
243.05779	1.1
243.06589	1.2
244.03484	2.3
245.04538	12.5
245.08203	4.7
246.04878	0.7
249.05627	1.0
251.03540	1.2
252.04341	0.8
252.74844	0.6
253.05150	2.7
255.02991	9.7
256.03738	3.6
257.04443	4.2
259.06192	0.9
261.04120	1.9
263.07120	0.9
267.03088	2.7
267.06580	1.0
269.04562	28.9
270.05045	2.4
271.06207	5.3
273.03986	4.0
279.02930	1.2
280.03815	0.8
281.04623	4.1
282.05396	0.8
283.02466	1.8
283.05939	1.1
284.03146	1.0
285.04117	6.4
286.04761	1.8
287.05618	20.2
288.05984	1.9
289.07217	21.3
290.07480	1.3
290.78226	0.6
291.06604	0.6
293.04568	2.7
295.02539	1.9
295.06241	0.9
297.04071	2.0
299.05728	1.7
301.03790	0.6
303.05219	3.6
305.04706	0.7
309.04099	2.0
309.07751	1.8
311.05692	1.9
313.03500	3.1
319.06189	1.2
323.05798	1.4
339.08810	1.9
341.06650	1.4
347.05518	1.3
351.08774	1.3
361.03409	0.8
363.04730	0.8
363.09137	1.1
373.03351	0.7
375.04871	0.9
377.06738	2.2
387.05206	1.4
388.05365	0.8
389.06534	3.5
395.07745	18.4
396.08041	1.4
405.05984	3.6
407.07724	28.2
408.08133	2.6
412.96494	0.8
413.08749	3.5
417.06271	1.6
419.07751	1.1
423.07263	2.5
425.08841	0.9
431.07870	2.7
433.09335	4.1
437.08774	0.8
439.06796	2.3
441.08398	5.5
442.08203	0.8
443.08136	0.7
447.07404	1.6
449.09039	5.8
450.09039	0.7
451.10397	7.9
475.10760	0.8
515.10303	2.1
525.08044	4.3
533.10718	1.2
539.09943	0.9
541.11420	1.7
543.09174	1.1
551.09924	2.1
555.10028	0.8
557.10779	6.7
558.10681	0.7
559.11774	2.9
565.09705	1.3
569.11072	2.0
575.12097	5.8
576.11914	1.1
577.13885	3.4
601.10059	1.2
603.11749	5.2
633.14215	1.0
659.12024	2.4
677.13000	7.0
678.12994	1.3
685.13959	0.8
695.13782	3.9
711.13690	1.7
721.13800	1.7
727.13422	2.8
728.12964	0.7
729.14630	11.4
730.15070	2.3
739.14911	1.0
829.15216	2.8
830.15955	1.0
847.16241	5.9
848.16052	1.5
865.18182	2.1
873.16565	0.7
891.17358	3.8
892.17938	0.9
999.19220	2.6
1017.21057	4.0
1035.13916	0.8
1169.22107	0.8
1170.23608	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	1169.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	4.4
89.03976	1.4
93.03485	2.3
95.01398	1.5
97.02989	1.6
107.01402	1.3
108.02180	1.9
109.02967	16.3
110.03291	0.9
117.03500	2.0
121.02959	3.0
123.00911	2.2
123.04546	7.7
124.01651	1.1
125.02460	100.0
126.02808	3.3
131.05038	1.9
132.02119	1.3
133.02974	8.6
135.04553	4.6
137.02477	13.2
139.04100	1.0
142.73848	0.9
143.05052	1.0
145.02974	6.2
146.03723	0.9
147.04489	1.3
149.02475	5.6
150.03259	1.2
151.04025	9.3
157.02966	1.1
157.06567	1.0
158.03804	0.8
159.04541	8.5
160.01627	1.1
161.02463	36.4
161.06151	3.2
162.03023	2.5
163.00359	4.5
163.04012	4.0
164.01221	6.6
165.01927	6.6
167.03491	2.1
169.01445	14.8
171.04585	1.3
173.02440	1.1
173.06117	1.9
174.03218	1.6
175.04019	17.0
176.01237	1.2
177.01935	12.9
177.05513	1.3
179.03549	1.5
182.03900	0.9
183.04471	4.9
185.02437	2.1
185.06078	2.7
187.04004	7.1
188.04634	1.7
189.01920	2.2
189.05566	1.2
190.02666	0.8
191.03506	1.5
193.01453	3.0
193.05028	0.8
195.04517	1.2
197.06104	1.7
198.03291	1.5
199.04024	8.6
199.07657	0.9
200.04771	1.3
201.01981	2.7
201.05562	5.8
202.99825	0.9
203.03560	3.6
203.07159	3.1
205.01443	1.1
205.05045	3.4
211.04001	2.9
212.04787	1.9
213.02011	1.0
213.05611	3.4
214.02869	1.8
215.03465	1.7
217.05055	6.4
219.03036	2.9
223.04083	1.0
225.05562	6.7
225.98753	0.8
227.03525	5.2
227.07124	1.9
228.04253	1.4
229.05034	5.3
231.03008	3.1
231.06569	1.2
235.04044	1.9
236.04953	0.9
237.05602	1.5
239.03407	0.9
239.07167	1.6
240.04225	1.5
241.05107	4.0
242.02220	1.1
243.02998	28.9
243.06696	1.9
244.03416	2.5
245.04535	13.7
245.08218	4.0
247.05960	1.2
249.05574	2.1
251.03494	2.1
253.05054	3.1
255.03004	12.2
255.06856	0.9
256.03769	4.3
257.04593	5.7
259.06143	1.2
261.04068	3.4
265.05038	1.7
267.02936	3.7
267.06183	1.1
268.03720	2.1
269.04553	39.9
270.04932	3.4
271.06088	5.9
273.04120	2.7
279.03067	2.2
279.06668	1.2
281.04501	7.3
282.01904	1.8
282.04922	1.2
283.02487	4.0
283.06064	2.2
284.03198	1.1
285.04095	6.8
286.04816	1.1
287.05600	25.1
288.06003	1.4
289.07233	21.8
291.06851	1.3
293.04529	3.5
295.02600	1.9
295.06085	2.0
297.03961	2.8
297.07205	1.1
299.05734	1.1
303.05304	3.2
307.06299	1.5
309.04126	2.9
309.07886	2.2
311.05722	3.4
313.03436	3.8
317.04382	0.8
319.06122	3.2
321.04135	1.1
321.07803	1.6
323.05746	1.7
327.05063	1.2
329.06909	1.3
331.05679	0.9
333.03909	1.0
333.07800	0.9
335.05746	1.1
337.07425	1.4
339.08783	1.8
341.06702	1.4
343.05951	1.5
345.07800	1.0
347.05679	1.2
353.06833	1.1
359.05795	1.8
361.03366	1.1
361.07364	1.5
363.04880	0.9
363.08868	1.8
369.09830	1.0
371.05820	0.8
373.03412	1.1
374.04092	0.9
375.05197	2.1
376.05722	0.9
387.05118	9.3
388.05441	1.0
389.06851	4.8
395.07806	4.1
401.06323	0.9
405.06006	5.8
407.07745	38.4
408.08142	2.8
413.08698	3.6
415.08316	2.4
417.06503	1.0
419.07748	4.1
423.07361	2.8
431.07748	6.7
433.09366	7.2
437.08685	2.2
439.07068	3.8
441.08420	7.4
449.08859	12.2
450.09320	1.2
451.10449	5.5
457.09482	0.9
475.10394	1.9
493.08411	0.7
515.13757	1.0
525.08252	4.0
539.09814	1.1
541.11462	10.1
543.09357	1.1
557.10962	3.8
559.12848	17.4
560.12787	2.4
569.10785	4.8
575.12122	13.6
576.12579	1.9
577.11218	4.6
583.11890	1.2
601.11365	2.3
603.11426	7.7
624.85846	0.9
651.15100	1.1
659.12012	6.2
660.12738	1.2
677.13129	8.0
678.13245	1.7
695.13428	5.4
703.14490	2.7
711.13593	8.7
712.13800	1.5
721.15173	3.1
729.14630	27.3
730.15076	4.5
739.14264	2.6
755.12842	1.9
771.15045	1.6
811.14539	1.6
829.14648	9.7
830.14941	2.4
847.15460	10.0
848.15497	1.9
865.18469	0.9
873.16522	3.3
881.15991	13.7
882.14850	2.1
891.17780	7.9
892.17267	0.9
999.18353	5.1
1017.20953	3.8
1018.21600	1.3
1043.20068	1.8
1169.20398	2.7
1170.22876	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	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01886	0.6
71.02217	0.5
71.02540	0.7
73.02953	100.0
74.03303	3.0
92.32240	0.5
99.00888	7.8
99.92600	2.2
102.19714	0.5
116.92884	5.5
117.01952	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	1181.353
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03976	1.4
93.03497	1.1
98.21798	2.4
108.02193	0.8
117.03478	53.1
118.03815	2.0
119.05039	14.3
121.02940	0.8
121.33272	0.6
122.03822	0.6
125.02422	0.6
131.49475	0.6
132.02184	13.6
133.02948	2.1
134.03764	4.1
135.04559	1.6
136.01639	0.8
137.02377	1.1
145.02968	100.0
146.03299	3.4
149.02467	0.8
149.06166	1.4
150.03197	3.3
151.04080	1.4
158.03676	0.7
159.04491	0.7
160.01674	30.9
161.02438	5.2
162.03107	0.6
163.03999	9.3
165.05573	2.1
173.06081	1.2
174.03329	0.7
175.04012	26.4
176.04524	1.6
177.05634	1.2
178.02829	0.8
179.03535	1.8
179.92789	0.5
180.04259	0.6
187.04073	1.3
191.07085	0.8
193.05089	4.0
197.25131	0.5
207.06528	0.6
217.05045	1.4
233.24727	0.6
235.06125	2.5
244.78110	0.7
265.07275	0.9
272.12296	0.6
273.27264	0.6
289.07089	0.7
295.08313	1.0
307.08383	1.1
327.12570	1.3
371.11099	0.8
383.11295	1.0
453.11914	2.9
469.13449	1.0
487.14441	1.3
615.17377	0.7
633.18152	4.3
634.18689	0.6
645.18097	2.7
663.19299	6.9
664.19043	0.8
779.21881	4.0
791.21967	4.5
809.23138	17.2
810.23279	3.2
821.23126	0.8
823.24518	1.0
839.24030	5.5
840.24359	0.9
893.25952	0.9
955.26117	1.3
984.27570	1.0
984.47894	0.7
985.27863	28.4
986.27734	6.7
987.29443	1.2
1035.31042	1.8
1039.29224	2.7
1133.33276	3.6
1134.33081	0.8
1136.97815	0.7
1181.35413	4.0
1182.35010	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	1181.352
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00849	0.4
88.88821	0.2
89.03986	1.8
90.98132	0.3
93.03474	0.6
109.03030	0.3
113.02495	0.3
116.02647	0.5
117.03481	64.0
118.03822	2.5
119.05038	11.0
120.05414	0.3
121.02965	0.4
123.04510	0.3
132.02190	1.9
133.02968	0.9
133.06648	0.3
134.03792	2.1
135.04498	0.8
136.01669	0.4
137.02470	2.3
138.03217	0.3
145.02969	100.0
146.03320	4.5
147.04527	0.4
149.06078	0.5
150.03206	0.4
151.04019	0.5
158.03700	0.5
159.04532	0.7
160.01682	3.8
161.02477	2.1
161.06055	0.7
162.03267	0.5
163.04031	8.3
165.01930	4.2
166.02669	0.6
171.04488	0.3
173.06041	0.5
175.04010	4.1
176.04701	0.5
177.05646	0.2
178.02754	0.5
179.03490	1.4
180.04248	1.4
181.05058	0.5
187.04033	1.3
191.03625	0.3
191.07161	1.0
193.05049	1.8
195.06618	1.5
203.03500	0.8
217.05142	1.2
225.07755	0.3
228.88239	0.3
235.06110	1.6
265.07248	0.3
279.06702	0.3
289.07285	0.5
295.08298	0.5
307.08310	0.6
327.12405	0.6
353.10492	0.7
363.08890	0.2
371.11188	0.3
453.11942	3.1
499.14044	0.3
517.15930	0.5
615.17029	0.5
633.18573	0.5
645.18164	1.4
646.17487	0.3
663.19446	3.9
664.19305	0.5
761.21033	0.3
779.21094	0.4
791.23016	1.3
807.20551	0.7
808.21661	0.7
809.23022	15.4
810.23260	3.0
823.24811	0.7
841.25641	0.7
845.22156	0.3
863.24030	1.8
889.26837	1.0
953.25098	0.5
954.25940	2.3
955.26624	14.9
956.27136	4.0
969.27814	1.1
970.28583	0.3
985.27423	0.4
987.29315	2.7
988.27246	0.3
1009.28357	1.9
1010.27289	0.6
1017.29755	0.5
1035.31726	2.7
1036.31299	1.0
1133.33655	2.2
1134.33911	1.2
1163.33374	0.5
1181.35168	4.2
1182.35645	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	1181.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
86.11654	0.2
87.00882	0.2
89.03976	1.7
93.03474	1.0
95.01364	0.2
108.02189	0.3
113.02449	0.3
116.02706	0.5
117.03482	63.1
118.03821	2.2
119.05037	8.0
121.02985	0.6
122.03727	1.0
125.02493	0.3
130.46092	0.2
132.02187	5.3
133.02982	1.9
134.03772	5.1
135.04614	1.3
136.01656	0.8
136.99675	0.2
137.02425	0.5
145.02971	100.0
146.03300	3.8
147.04543	0.5
149.02451	1.5
149.06108	1.0
150.03241	4.4
151.03981	0.9
158.03757	0.3
159.04538	0.8
160.01677	12.1
161.02470	3.7
161.06120	0.4
163.04031	5.5
164.04680	0.2
165.02022	0.3
165.05597	2.7
173.06137	0.5
175.04031	11.6
176.04622	0.6
177.05638	0.6
178.02707	0.9
179.03534	1.3
180.04208	0.4
187.03986	1.3
191.07184	1.4
191.96880	0.2
193.05077	4.1
195.06596	0.8
202.02736	0.3
205.05013	0.3
207.06573	0.3
217.05095	1.0
235.06107	1.4
247.06122	0.4
265.07336	0.4
267.06638	0.3
278.05472	0.2
289.07166	0.3
295.08258	0.8
307.08331	0.3
323.07785	0.4
327.12451	0.9
337.09189	0.5
353.10275	0.6
353.84970	0.2
355.10391	0.3
389.12314	0.4
453.11942	0.5
469.12256	0.3
483.13010	2.1
487.14636	0.5
492.65598	0.3
499.14490	0.4
517.15790	0.3
580.91370	0.3
615.17310	0.3
633.18164	1.0
634.19098	0.2
645.18439	1.9
646.18298	0.5
663.19342	3.2
664.19202	0.4
675.19171	0.8
693.20648	2.3
735.52979	0.2
791.22028	0.8
792.22272	0.3
809.23065	3.9
810.23035	0.7
821.22980	2.1
839.24066	15.3
840.24451	4.1
841.25427	0.4
859.27655	0.3
893.25720	1.1
955.26672	0.7
984.26654	0.5
985.27722	17.6
986.28064	4.5
987.29321	2.1
988.29419	0.6
999.28741	0.7
1017.30011	0.4
1035.31372	2.5
1036.31824	0.6
1039.29480	1.3
1133.32617	1.9
1134.32483	0.7
1163.33276	0.9
1181.35706	3.5
1182.35669	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	1183.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01373	0.3
95.69188	0.3
98.22547	0.5
107.01397	1.6
108.02190	0.6
109.02937	0.4
121.02978	0.5
125.02443	0.5
128.83897	0.3
135.00903	0.6
148.01682	0.3
151.00391	4.7
159.04401	0.4
163.00423	1.7
167.86687	0.3
169.01447	0.7
174.03305	0.4
175.03920	0.5
178.99861	3.2
187.04027	0.6
189.02148	0.3
190.99936	0.3
198.03255	0.9
199.04005	1.3
201.01994	0.6
201.05577	0.3
203.03471	0.3
211.04041	0.5
215.03520	0.4
216.04237	0.8
226.02739	4.5
227.03473	3.5
228.03964	0.5
243.02994	14.4
244.03412	1.4
245.04500	0.5
254.02211	5.3
255.02983	11.1
256.03476	0.7
271.02496	65.5
272.02933	6.5
273.03949	0.5
283.02545	0.5
292.06226	0.3
295.35788	0.3
299.02066	1.0
300.02771	66.4
301.03439	18.3
302.03961	1.0
463.08862	0.8
505.09930	100.0
506.10236	12.7
1173.70300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.45141	0.4
62.86667	0.5
91.05522	1.2
93.03466	5.3
101.92417	1.7
118.92664	2.7
118.96511	1.0
119.02522	1.9
119.05045	100.0
120.05363	6.7
130.43288	0.5
138.73860	0.4
139.23389	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	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
53.14398	0.3
71.57728	0.4
86.81579	0.3
91.05545	1.6
93.03472	6.2
94.03806	0.3
95.28803	0.3
98.22564	0.7
104.02697	0.4
117.03490	0.8
119.05045	100.0
120.05376	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	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73690	0.4
65.04019	0.5
67.62516	0.5
87.30975	0.6
88.93100	0.4
91.05541	2.2
92.89354	0.4
93.03468	4.9
101.92405	0.5
117.03529	1.3
118.92683	1.2
119.05038	100.0
120.05376	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.35144	0.9
52.64129	0.9
65.22453	0.9
78.69532	0.8
91.05560	0.9
92.08624	0.8
93.03473	5.5
93.03957	0.9
95.88892	0.8
97.09145	0.9
118.92679	1.0
118.96578	1.1
119.05038	100.0
120.05357	7.2
121.54379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
57.93758	1.1
61.36641	0.9
74.39920	0.9
91.05536	0.9
93.03475	7.1
98.21809	2.2
117.03526	1.7
119.05042	100.0
120.05370	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
65.50350	0.7
66.00146	0.8
71.18013	0.7
79.33562	0.7
91.03022	0.8
91.05547	1.6
93.03453	6.1
95.04228	0.8
117.03465	1.8
118.92721	1.8
119.02512	2.3
119.05038	100.0
120.05379	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
57.72912	0.6
70.87620	1.6
90.35873	0.5
90.65755	0.5
91.05564	1.4
93.03461	6.9
98.22605	0.7
101.92455	0.8
111.29931	0.6
118.92672	1.3
118.96535	0.7
119.05042	100.0
120.05367	6.9
136.70874	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	120.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66502	1.9
66.03503	11.0
69.54108	4.3
69.54517	11.4
69.55373	1.9
71.51158	2.2
81.20671	2.2
81.71040	2.5
91.01917	2.5
93.03470	52.1
94.03000	45.3
94.03650	3.1
98.22495	2.8
108.02201	2.5
120.37043	2.5
120.99673	18.1
121.02974	100.0
122.02499	27.3
122.03288	3.2
134.67690	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03973	0.4
66.03493	3.3
71.26620	0.5
71.89729	0.3
81.34427	0.3
83.57027	0.3
87.78898	0.3
91.01897	1.1
93.03468	4.4
93.39978	0.3
94.02994	11.0
95.01389	1.1
99.30978	0.3
108.02187	3.8
121.02970	100.0
122.02488	8.3
122.03320	6.2
122.06181	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	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.08469	0.8
53.42262	0.8
66.03497	11.6
69.71130	1.6
69.71542	2.9
76.11395	1.1
91.01907	1.7
92.85846	1.0
93.03485	6.8
94.02997	34.4
95.01427	0.9
108.02185	5.3
116.77148	0.9
120.19636	0.8
121.02972	100.0
122.02505	28.0
122.03321	5.0
122.96307	0.9
128.66667	0.9
132.25583	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	123.009
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.34414	1.0
52.55375	1.0
59.83178	1.0
66.03500	6.2
67.01914	5.1
71.30817	1.8
71.31193	0.9
78.03510	2.0
91.03728	0.9
94.03000	11.9
95.01396	100.0
96.01773	4.7
96.04590	3.8
108.02187	4.1
108.28946	1.0
123.00903	23.2
123.04520	1.3
124.01663	1.7
124.04066	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	124.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
60.59546	1.7
64.01910	2.1
66.03492	45.1
67.01874	3.6
69.03459	16.9
69.26967	13.1
78.03513	9.4
79.01926	2.8
81.03458	5.4
82.02967	4.2
94.02991	100.0
95.01386	7.5
95.03314	2.9
96.01719	5.2
96.04561	31.7
97.02949	11.1
106.02981	3.2
109.01733	5.5
110.00146	2.5
110.43500	1.7
120.46384	1.7
122.02506	5.7
123.00911	17.5
123.03293	3.7
124.01683	43.5
124.04053	78.0
125.02470	99.0
125.04385	4.5
125.06100	3.8
138.01985	2.1
144.21205	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	125.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22201	1.5
64.09882	1.4
67.01904	3.7
68.99823	1.4
69.03457	17.5
69.78014	7.0
79.01897	3.4
80.99794	1.6
81.03469	5.4
82.03011	2.7
82.24068	1.3
83.01405	2.9
95.01387	2.6
96.99314	19.2
97.02959	12.5
98.03217	1.5
123.14352	1.4
124.01659	2.2
124.89156	1.9
124.98814	7.8
125.02467	100.0
126.02012	1.6
126.02775	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	125.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70807	1.3
61.58168	1.3
63.72989	1.2
67.01881	1.5
69.03470	12.4
69.54571	6.2
71.01769	1.3
78.00616	1.1
79.01912	3.4
81.03460	3.3
84.64452	1.1
85.76335	1.2
90.01099	1.3
95.01414	3.1
97.02957	9.9
107.01376	2.9
124.01719	3.6
125.02467	100.0
126.02841	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	125.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47778	0.9
51.10295	1.1
52.89994	1.1
56.84071	1.1
59.25865	1.1
67.01868	1.7
68.95277	13.8
69.03463	16.1
73.33386	1.1
78.95923	1.6
79.01892	4.3
81.03455	3.7
83.01394	3.3
95.01410	2.2
97.02980	10.6
105.99107	1.1
120.42489	1.2
124.01682	4.7
125.02460	100.0
126.02798	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	127.0039
Annotation	5-hydroxyfuran-2-carboxylic Acid
Peak:m/z	Relative Intensity
53.31290	3.3
55.01879	38.5
69.80019	7.9
69.80436	11.1
71.01377	9.2
76.00012	4.0
83.01396	39.0
84.01722	4.6
85.87962	3.8
99.00892	100.0
126.90499	42.7
127.00388	42.6
128.03549	19.9
136.38072	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	127.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31290	3.3
55.01879	38.5
69.80019	7.9
69.80436	11.1
71.01377	9.2
76.00012	4.0
83.01396	39.0
84.01722	4.6
85.87962	3.8
99.00892	100.0
126.90499	42.7
127.00388	42.6
128.03549	19.9
136.38072	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	127.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01524	5.0
56.73204	5.6
58.23674	6.6
58.56902	6.7
59.01388	6.6
60.84379	5.5
69.05643	13.0
69.06033	55.2
70.13413	7.1
71.01373	12.1
71.05008	5.8
73.05001	5.1
82.03005	10.9
83.05016	8.4
89.54704	6.0
123.96540	5.3
126.90453	86.5
127.00366	15.6
127.07668	43.5
128.03557	100.0
132.92566	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	127.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.7
56.96944	5.8
58.09264	5.9
59.01376	6.6
69.05780	57.5
71.01386	10.9
82.02959	6.5
85.02947	10.0
98.21750	11.0
99.00906	5.6
104.83475	5.8
123.84860	5.3
126.90492	90.6
127.00399	22.9
127.04028	10.1
127.07697	35.6
128.03552	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19318	1.5
70.88120	2.9
70.88463	3.3
82.02983	5.5
85.02961	43.1
85.79234	1.9
92.38053	1.7
93.05662	1.6
99.62284	1.6
122.15308	1.8
123.43040	1.6
128.03555	100.0
129.01953	2.9
129.03876	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.2
58.88925	2.9
61.16596	2.7
67.01865	6.0
67.06790	2.1
69.50623	13.2
69.51024	5.4
71.01376	4.0
82.02975	6.0
84.04573	12.9
85.02963	17.6
128.03557	100.0
129.01984	3.3
129.03893	6.0
143.86501	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19318	1.5
70.88120	2.9
70.88463	3.3
82.02983	5.5
85.02961	43.1
85.79234	1.9
92.38053	1.7
93.05662	1.6
99.62284	1.6
122.15308	1.8
123.43040	1.6
128.03555	100.0
129.01953	2.9
129.03876	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	129.0196
Annotation	Itaconate
Peak:m/z	Relative Intensity
53.55450	2.6
53.90332	2.5
67.01893	3.9
69.10925	5.2
69.11328	20.9
74.99403	4.2
76.42918	2.8
85.02961	100.0
86.03309	4.6
88.04049	53.4
112.51673	3.6
129.01939	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42940	5.0
55.01857	8.6
57.03446	21.9
66.38538	5.9
67.01895	62.3
70.43706	5.2
70.44025	8.2
71.01382	7.2
73.71939	4.7
82.71679	4.8
85.02960	59.0
88.04047	100.0
100.71540	5.0
101.33366	5.2
113.66824	4.7
128.03557	15.0
129.01952	17.8
130.05087	17.5
130.08739	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	69.8
64.62412	31.3
68.66121	36.7
69.86538	37.1
70.38474	100.0
84.13125	33.1
88.29269	30.0
108.20026	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78650	33.1
55.20499	27.8
57.03437	77.7
69.50684	34.5
70.41835	100.0
72.32691	31.5
72.55930	31.5
85.02934	46.8
98.22453	32.0
128.90178	61.4
130.08759	64.8
133.97008	40.4
133.97957	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13166	64.2
69.13579	32.6
71.01365	12.3
71.26848	10.7
72.99306	12.3
77.10138	11.8
85.02934	18.7
105.89697	12.2
128.90125	13.8
129.05591	35.8
130.06639	52.5
130.08771	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	129.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97870	33.9
55.38111	39.7
56.59909	40.6
70.65696	41.2
95.09779	33.9
120.51944	37.1
125.83163	33.3
129.05592	74.9
130.08769	100.0
147.76704	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45634	1.6
54.15547	1.9
57.84073	1.5
64.58089	1.6
69.91023	5.7
71.22227	1.9
83.06161	1.9
95.27924	1.7
113.07159	2.1
130.08755	100.0
131.08272	58.0
131.09113	6.7
134.56805	1.9
142.79228	1.6
144.02856	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	130.0876
Annotation	L-Leucine
Peak:m/z	Relative Intensity
58.97997	1.9
69.40517	5.8
69.40926	5.6
85.02966	4.5
126.25333	1.8
130.08755	100.0
131.09105	5.7
140.11848	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	131.0352
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
57.03444	0.9
69.03453	2.2
71.01357	1.0
85.02959	5.3
87.04524	100.0
88.04050	1.7
88.04862	5.0
93.79399	0.7
98.21809	1.5
107.80724	0.6
113.02477	5.9
119.67942	0.6
131.03510	11.6
132.03015	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	131.0352
Annotation	DIMETHYLMALONIC ACID
Peak:m/z	Relative Intensity
57.03444	19.9
59.01394	8.3
60.60056	6.6
71.25546	6.9
72.25446	6.6
72.69481	6.6
72.99331	10.6
73.02945	13.2
85.02960	100.0
85.06584	14.9
86.03265	8.1
87.04531	15.1
130.88902	16.0
131.03560	32.0
131.07109	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	131.0715
Annotation	Leucinic acid
Peak:m/z	Relative Intensity
50.14618	0.8
55.99325	0.7
59.22373	0.7
69.03461	15.1
69.17756	6.0
79.58274	0.7
85.02958	2.8
85.06595	100.0
86.06934	5.2
87.04540	1.1
95.97174	0.8
108.77195	0.7
113.06108	2.3
129.05577	1.6
131.03510	0.9
131.07153	33.1
132.07506	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	131.0716
Annotation	Ethyl 4-hydroxybutyrate
Peak:m/z	Relative Intensity
51.68570	2.6
51.95505	2.7
57.03452	4.8
58.67432	2.2
59.01388	100.0
60.04299	2.2
68.99805	3.7
69.46651	14.5
80.67831	2.8
85.02950	20.9
85.06590	4.7
87.04507	3.8
87.88517	2.4
88.01230	2.6
131.03497	6.6
131.07146	4.1
131.09097	3.5
132.04594	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	131.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61125	2.1
58.98806	1.8
62.58019	2.0
63.17846	1.9
64.72681	2.0
69.68883	6.3
69.69294	5.4
83.06179	3.9
85.02928	3.4
85.07694	3.1
112.51923	2.7
119.43980	2.3
130.53349	2.3
131.08279	100.0
132.08679	5.3
136.02408	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	131.0828
Annotation	D-Ornithine
Peak:m/z	Relative Intensity
50.54207	1.9
51.70116	1.7
57.11424	1.9
58.16821	1.9
63.23296	2.1
71.31113	3.6
79.63987	1.8
83.06152	5.5
88.04072	1.8
113.07224	2.4
126.48370	2.0
131.08276	100.0
131.09067	5.9
132.08672	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	131.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40511	2.3
51.98933	2.3
59.08779	2.6
74.71925	2.5
84.76182	2.5
85.92111	2.6
88.04057	3.6
98.22466	2.9
99.89881	3.4
131.08282	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	132.0305
Annotation	Aspartate
Peak:m/z	Relative Intensity
50.09645	0.8
57.46271	0.8
59.01378	0.8
62.73440	0.8
69.73420	4.5
70.02994	1.7
71.01389	21.2
72.00919	4.3
88.04050	100.0
89.03574	1.2
89.04406	3.2
89.61027	0.8
90.90614	0.7
97.45334	0.8
103.42379	0.7
114.01991	3.4
115.00385	23.2
132.03043	18.0
133.03383	1.1
145.51315	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
70.59567	2.7
70.59912	2.3
71.01390	82.6
72.01723	3.4
72.99325	24.2
74.99985	1.5
89.02442	8.8
93.99606	1.8
105.39364	1.5
114.70615	1.6
115.00390	100.0
115.69089	1.6
116.00738	4.7
133.01445	19.6
138.36694	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
55.50701	1.2
69.33929	8.3
69.34247	2.1
71.01387	87.2
72.01723	2.0
72.99316	20.7
89.02453	7.0
98.22476	2.6
115.00385	100.0
116.00728	4.4
117.95619	1.1
133.01433	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
53.36242	0.9
57.44102	0.9
59.01394	2.0
62.29997	0.9
69.17281	9.2
71.01391	90.6
72.01744	1.4
72.99316	22.9
76.38499	1.0
87.00892	1.9
89.02454	8.5
95.05015	1.2
105.03465	2.1
107.03620	1.4
115.00388	100.0
116.00728	3.5
133.01440	18.2
133.02997	3.5
134.01762	1.6
134.04697	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
57.49391	0.8
59.01369	1.7
66.80149	0.8
69.51119	2.5
69.51553	2.9
71.01390	88.0
72.01714	2.5
72.99314	24.0
86.14257	0.7
87.00897	1.2
87.04569	0.9
89.02462	10.4
107.03667	2.9
115.00386	100.0
116.00732	4.4
133.01451	20.1
134.04718	7.1
139.47246	0.8
141.88068	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	134.0375
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
58.51035	5.6
65.81847	5.4
65.97415	5.3
68.30245	5.9
70.80177	7.4
70.80518	12.2
83.34360	5.6
107.03651	7.3
107.05057	8.6
119.86989	7.1
131.68843	6.3
133.02884	18.1
134.03835	89.7
134.04750	20.0
135.04552	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	134.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48991	8.0
69.49407	15.1
92.02559	5.0
95.54374	3.2
98.21887	4.5
106.04247	18.2
107.03664	8.7
109.00751	3.8
134.03783	100.0
134.04745	15.7
134.89438	3.9
135.04588	36.2
140.50343	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	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78328	0.4
63.20754	0.5
65.01447	1.7
65.23251	0.4
68.02538	1.2
70.88023	0.9
70.88396	0.5
71.01394	0.5
72.01718	0.9
79.84860	0.4
92.01966	0.5
92.02553	11.4
107.03648	44.5
107.05058	2.3
108.04021	1.1
108.89287	0.5
116.00714	0.8
122.23606	0.5
123.04567	0.6
134.04742	100.0
134.89502	0.8
135.04533	6.2
135.05267	1.5
135.37920	0.5
146.39459	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	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66152	0.5
62.23159	0.4
65.01451	1.6
68.02534	0.9
70.08300	1.8
80.02517	1.0
82.04751	0.5
92.02554	11.7
103.40824	0.4
107.03652	40.9
108.03980	1.0
118.45833	0.5
134.04752	100.0
135.04358	1.7
135.05107	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	135.0302
Annotation	Erythronic acid
Peak:m/z	Relative Intensity
51.44610	0.6
59.01385	16.2
60.01694	0.7
61.98827	4.0
71.01394	7.7
71.25404	0.9
71.25816	1.3
72.99318	18.8
73.02945	5.1
75.00878	100.0
76.01209	1.7
78.95908	1.1
81.03441	1.7
86.02477	1.7
87.00883	99.0
87.02826	2.9
88.01219	3.7
89.02462	6.8
91.01872	0.9
91.85059	0.8
102.85151	0.8
108.02175	5.3
109.02969	13.9
116.47370	0.6
117.01945	2.9
118.03008	0.8
118.48444	0.7
131.06490	0.8
134.02489	1.6
134.86574	9.5
134.89491	8.0
135.03020	46.5
135.04623	2.3
136.04063	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.3
61.98830	7.3
69.94100	0.6
70.54155	0.6
70.77847	1.4
71.01384	7.1
72.99313	15.8
73.02959	4.3
75.00880	88.5
76.01211	1.8
78.95922	0.7
79.57072	0.6
81.03506	0.6
87.00886	100.0
87.02829	2.2
88.01220	3.9
89.02451	6.3
108.02166	4.4
109.02959	8.1
117.01956	3.3
134.86562	9.6
134.89476	6.9
134.91594	0.7
135.03017	45.1
135.04451	2.9
136.04068	47.6
149.91736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0455
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
56.08389	0.6
70.79631	2.0
75.00874	1.2
89.03978	2.1
91.05536	0.7
92.01942	0.8
93.03471	2.0
99.92616	1.6
106.04234	1.3
107.05032	7.4
108.02183	3.0
108.05341	1.0
117.03458	1.9
121.02924	0.6
134.03757	21.2
134.89493	19.2
135.04544	100.0
135.89491	1.2
136.01698	1.3
136.04031	2.4
136.04938	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	135.0819
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.33294	0.9
52.51759	0.8
67.89149	0.7
70.90488	1.5
75.00871	0.9
79.75492	0.9
84.31388	0.7
93.03431	1.3
99.92591	11.4
107.05042	0.9
108.02132	1.7
108.04604	1.2
120.05830	8.8
134.03763	2.4
134.86604	6.5
134.89491	100.0
135.04535	13.7
135.08177	49.4
135.89497	7.5
136.03986	2.0
136.08498	5.2
152.04796	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	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
67.77092	2.2
69.03454	3.1
72.26589	2.0
92.05072	7.9
93.03469	68.4
94.02969	3.7
94.03828	5.2
95.01424	17.4
97.02947	3.4
103.61285	2.0
108.02190	100.0
108.04565	2.1
109.02515	7.1
135.89519	4.0
136.01682	91.2
136.03931	3.5
136.04883	13.0
136.89174	9.0
137.02490	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.4
65.03966	1.4
69.90722	0.9
69.91113	1.7
70.93371	0.4
74.99103	2.0
81.03474	3.9
83.65050	0.4
91.01920	1.7
93.03470	18.6
94.03001	3.8
94.03787	0.9
94.63167	0.5
96.65929	0.5
108.02193	11.1
108.04633	0.5
109.02984	4.7
110.02464	0.5
119.01402	1.5
123.03317	0.6
136.01682	15.5
136.89220	1.4
137.02464	100.0
138.01965	5.6
138.02843	4.1
138.05620	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	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14130	0.6
51.21973	0.6
62.33996	0.6
65.00325	5.6
65.03976	5.2
70.10734	1.0
70.11086	1.7
74.99097	1.8
81.03456	3.1
84.64296	0.5
93.03466	100.0
94.03019	0.7
94.03191	0.9
94.03787	6.9
95.95234	0.7
108.02187	6.0
109.02965	4.5
119.01383	1.7
136.01668	9.5
136.89189	6.7
136.91359	1.7
137.02460	75.0
138.01862	3.2
138.02901	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	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12142	0.3
58.02963	0.8
61.98837	3.7
65.00336	1.5
65.03957	1.6
66.03487	0.6
67.01888	0.4
69.03451	0.6
70.01709	1.1
73.98316	0.4
74.99102	1.4
78.95918	0.7
79.01923	0.6
81.03462	3.6
83.01405	0.7
91.01911	1.3
93.03462	21.9
94.03004	1.9
94.03799	1.2
96.04572	1.3
108.02185	10.0
109.02972	5.7
110.02502	0.6
110.03301	0.7
119.01376	1.7
120.04546	0.6
136.01674	15.4
136.04019	1.2
136.89215	0.9
136.91316	0.8
137.02458	100.0
138.01950	4.1
138.02821	5.3
138.05629	0.9
151.67288	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	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
65.03967	2.1
68.30895	0.6
70.83308	0.6
70.83643	1.4
73.19469	0.6
81.03465	4.9
91.01895	1.3
91.88143	0.6
93.03468	100.0
94.03793	4.9
105.23356	0.6
108.02186	8.1
109.02983	4.3
113.59782	0.6
119.01397	1.7
136.01695	11.9
137.02460	88.8
138.02005	1.0
138.02829	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	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.49195	0.3
65.03968	1.8
71.28040	0.4
75.32796	0.3
93.03466	100.0
94.03797	6.0
109.96126	0.3
137.02460	10.7
138.02852	0.6
143.51059	0.3
151.97667	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	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.51144	0.5
70.46140	1.1
71.58121	0.5
73.36053	0.5
94.03764	1.0
95.01383	0.8
108.02187	87.9
109.02508	4.7
111.00858	0.7
138.01987	100.0
139.01546	0.4
139.02350	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	139.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	35.7
55.01874	15.4
64.60490	3.9
67.01890	5.0
69.03472	5.5
70.44194	13.6
72.99274	4.2
81.03449	8.0
83.01398	5.4
94.03074	4.7
95.05049	21.8
98.22410	4.7
103.38774	4.1
111.00903	17.2
113.06095	4.4
139.00365	4.6
139.04022	100.0
140.03506	9.8
140.04448	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	139.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	31.5
55.01877	7.8
67.01907	7.2
68.99818	5.4
69.33120	31.2
73.99886	3.9
81.03448	7.0
87.67215	3.6
93.77864	3.8
95.05035	20.3
100.23034	3.7
103.66560	3.4
109.49483	4.2
111.00926	5.3
113.06131	5.7
139.04033	100.0
140.04477	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	139.1131
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
57.03465	19.9
67.01887	30.4
68.01407	21.4
69.03468	38.3
70.62103	49.4
72.66648	17.1
85.06607	29.0
94.98107	24.3
97.06601	65.2
109.02489	33.3
111.00881	85.5
123.08197	33.6
124.39309	15.0
127.06152	16.8
138.89041	24.9
139.00352	26.1
139.02359	31.0
139.11304	100.0
140.03513	45.4
140.11551	16.0
140.51953	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	141.0196
Annotation	cis,trans-Hexadienedioate
Peak:m/z	Relative Intensity
51.00419	2.1
55.01890	3.0
57.59666	2.4
59.01381	6.7
66.01583	1.8
67.01889	5.4
68.99821	5.0
69.03463	32.2
69.10448	21.3
69.20125	2.1
71.01422	3.1
79.01898	3.8
81.84334	2.0
85.02941	11.2
95.01400	95.3
95.57541	2.0
96.01759	4.7
97.02965	18.4
99.00918	4.8
100.04063	4.5
107.94991	2.1
111.00920	3.4
113.02475	2.6
115.03081	2.9
117.59255	2.3
123.00905	79.1
124.01696	5.0
139.00439	2.6
140.01163	23.5
141.01962	100.0
142.02330	5.5
142.04164	5.7
142.05151	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	142.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	4.0
58.02992	15.9
59.01373	1.6
68.99800	1.7
69.03469	1.9
69.04476	7.5
69.04897	3.9
71.01393	10.4
71.05054	1.2
72.99277	1.5
74.07971	1.2
80.99866	1.5
82.38995	1.3
85.02947	1.4
87.00887	3.4
96.99334	4.5
98.06139	6.7
100.04055	100.0
101.04396	4.0
106.84452	1.2
112.98798	7.9
115.00397	1.5
120.99635	1.2
123.56042	1.1
124.98803	10.1
140.98357	2.9
142.05127	4.2
142.99870	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	142.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	28.6
66.03486	15.8
71.01381	31.1
76.01798	15.9
76.68861	14.1
81.52267	15.2
84.04541	100.0
85.02953	17.6
94.98706	13.1
97.03001	13.7
98.22504	56.7
99.04536	61.0
116.02505	15.3
138.46553	16.1
142.04099	30.5
142.05109	32.9
143.03598	38.5
143.07152	17.5
143.10762	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13285	3.9
53.00315	27.4
59.01366	8.8
68.99817	6.6
69.00697	3.7
70.49218	6.1
70.49548	9.2
71.01398	47.7
74.05743	4.1
78.36945	3.7
80.99837	8.7
85.02969	3.7
87.00887	14.2
87.92543	81.3
96.99323	41.6
102.05624	5.3
103.92046	42.3
105.93613	14.6
112.98837	43.3
115.00365	6.1
123.94646	19.7
124.98815	96.2
125.02441	4.6
125.99149	7.1
140.98308	14.6
142.99881	100.0
143.10820	3.9
144.00269	6.1
144.04628	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00101	3.0
53.00314	27.7
57.41832	3.4
59.01367	5.0
68.99836	5.0
69.05096	27.0
71.01390	45.5
72.99328	4.6
80.99796	8.8
87.00887	12.9
87.26851	3.8
87.92540	19.8
96.99322	26.1
98.21667	5.8
103.92040	8.1
104.25156	3.2
112.98820	45.1
115.00367	3.6
124.98820	55.9
140.98299	12.9
142.99876	100.0
144.00192	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31890	3.4
53.00316	22.3
58.35753	3.1
59.01382	6.2
68.99815	4.9
70.66782	6.4
71.01387	48.4
80.99818	4.9
87.00884	13.5
91.38339	3.1
96.99319	28.0
109.79703	3.1
110.01431	3.3
112.98829	51.5
115.00403	5.0
115.08575	3.1
124.98813	69.3
140.98351	10.8
142.34535	3.1
142.99879	100.0
144.00290	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	143.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	16.0
58.02990	36.7
59.01371	21.4
66.00813	7.0
67.01888	20.1
68.95100	15.8
68.95502	70.6
69.03441	16.7
71.01390	63.3
71.05019	17.0
72.99324	8.2
73.02946	15.4
79.25904	6.3
81.03448	17.1
85.02943	39.6
87.00868	21.5
87.04520	17.5
87.92538	60.7
96.99303	13.1
97.02950	20.3
99.04528	100.0
100.07683	12.6
102.05604	48.8
103.91438	6.8
103.92051	31.5
105.93568	12.4
111.00887	69.3
112.98811	19.8
115.00382	8.3
115.04031	42.1
123.94644	17.6
124.98839	47.2
125.02444	17.6
142.99879	53.9
143.02507	14.4
143.03537	53.7
143.05414	16.2
143.10817	10.8
144.02066	12.5
144.04572	96.3
144.06651	16.4
146.52719	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	143.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	3.2
70.23646	3.5
70.23987	10.6
71.05031	14.5
87.92543	7.5
99.04532	100.0
100.04887	4.5
100.08974	3.8
111.00819	4.5
115.04022	63.2
143.02463	6.4
143.03513	42.6
144.04677	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	143.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	10.6
58.02974	20.5
59.01392	11.3
60.49588	7.6
67.01880	28.5
68.65543	9.3
69.03448	9.8
69.43523	40.3
69.43938	19.4
71.01368	33.1
71.05009	11.5
72.00896	13.6
73.02942	22.6
77.43259	7.7
81.03473	17.4
85.02956	24.4
87.00871	17.6
87.04531	16.6
87.92542	35.0
99.04534	32.5
102.05589	33.6
103.92022	15.2
111.00902	100.0
115.04038	9.4
124.98829	14.2
125.02419	13.3
128.01736	9.4
129.32820	7.4
143.02536	9.9
143.03546	37.4
143.10738	16.7
144.02029	8.7
144.04533	60.5
144.06670	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	143.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18084	2.0
57.03452	37.8
69.27689	11.1
69.28103	5.4
76.29433	2.4
81.07107	34.6
97.06596	17.2
98.54179	2.2
99.08164	100.0
100.08500	6.6
103.42500	2.2
115.07667	3.5
125.06097	6.4
130.30824	2.3
143.03545	2.3
143.07140	6.2
144.04570	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0715
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
57.03453	39.5
58.03792	2.2
71.28181	2.6
80.01939	1.6
81.07101	27.4
83.05042	5.6
95.05035	1.7
97.06597	13.1
99.08170	100.0
100.08498	5.2
113.18282	1.7
125.06076	2.9
143.03627	1.7
143.07150	6.2
144.04584	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	143.0716
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
51.30806	2.6
52.16068	2.5
56.46455	2.7
57.03467	3.2
57.26735	2.5
59.01366	7.9
65.41721	3.2
70.69607	3.8
70.69932	5.4
73.02946	5.0
81.07104	29.4
81.83417	2.9
85.06606	4.6
97.06596	6.7
99.08170	27.7
113.06124	3.2
115.07668	31.7
116.05128	3.8
143.07072	12.6
144.04570	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	143.0716
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
55.72316	2.5
59.16806	2.5
64.75484	2.6
69.00533	10.1
69.00965	16.5
72.99313	81.2
74.18677	2.8
89.01456	3.4
97.06596	69.2
98.06911	5.7
103.90649	2.8
116.02535	2.8
125.06100	100.0
126.06457	8.8
130.46141	2.9
143.02528	4.5
143.03581	4.0
143.07138	20.9
144.04565	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	144.0457
Annotation	OXYQUINOLINE
Peak:m/z	Relative Intensity
50.16529	0.2
53.89380	0.3
65.99844	0.8
66.91554	0.2
70.97179	0.5
76.63663	0.3
90.63277	0.3
96.65746	0.2
102.03500	1.5
116.05067	1.0
119.46166	0.2
119.72980	0.2
139.09697	0.2
139.62250	0.3
144.04567	100.0
145.04919	6.9
145.05804	0.1
147.64819	0.3
161.91383	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	144.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37892	0.5
57.17222	0.5
65.99853	1.2
69.28664	0.9
69.29066	2.4
70.68890	0.4
77.33504	0.4
95.34463	0.4
99.08193	0.8
102.03510	1.1
116.05106	0.8
144.04565	100.0
145.04932	6.7
146.02580	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	144.0457
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
61.66879	0.2
65.99855	0.3
70.36382	0.7
71.01424	0.3
77.00527	0.3
81.03497	0.4
83.05022	0.7
86.25706	0.3
87.92550	0.4
94.58784	0.3
98.22473	0.3
99.92640	0.3
101.06091	1.1
116.05070	3.2
117.03493	0.4
126.03498	2.1
133.48015	0.3
142.03023	0.7
144.04567	100.0
145.03130	0.4
145.04924	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	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19086	11.4
53.13500	11.3
57.03442	20.4
61.21127	11.3
65.03959	46.1
71.01382	48.9
71.25460	15.1
73.02934	32.0
74.02477	17.9
81.03449	48.2
83.01402	12.5
83.05036	17.3
87.00861	21.5
99.04540	37.0
101.02430	58.8
102.05627	70.0
115.00395	24.1
116.55597	11.3
127.04068	13.2
127.05124	25.8
128.03513	28.6
143.03488	41.4
145.01462	15.8
145.05107	100.0
145.06178	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0508
Annotation	2-Methylglutaric Acid
Peak:m/z	Relative Intensity
69.48885	6.1
83.05032	23.0
101.06087	100.0
102.06425	4.2
117.03490	2.2
118.03002	2.0
127.04021	5.2
145.04974	19.7
146.02478	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	145.0621
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
53.33254	2.1
58.02982	12.2
67.03021	6.8
71.03999	4.0
71.04338	2.3
72.00905	6.8
74.02479	17.7
82.02995	8.0
84.04554	35.5
85.04860	2.2
86.02505	4.8
91.08577	2.1
97.04073	2.1
98.02507	2.9
99.05672	4.7
101.07214	13.8
102.05614	100.0
107.02558	4.2
109.04077	22.4
125.03577	8.8
127.05148	54.1
128.03555	52.9
128.05486	4.2
137.30965	2.1
145.06201	28.0
146.04611	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	145.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58522	0.6
54.77311	0.7
69.03367	2.2
69.03779	4.3
83.05024	1.0
84.02174	0.6
90.44604	0.6
95.46563	0.5
97.06601	5.2
97.27670	0.7
98.21674	1.3
99.08170	100.0
100.08508	6.0
102.05647	0.7
112.59964	0.6
117.03473	0.9
118.03008	0.9
127.07661	2.0
143.07176	1.1
145.02940	0.8
145.04938	1.6
145.08727	26.3
146.02507	2.2
146.09071	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
60.42727	0.8
62.35141	1.1
65.98219	1.0
66.96835	1.1
69.80608	5.4
87.34264	1.1
97.06599	2.3
98.22473	1.3
99.08169	100.0
100.08500	4.5
101.23219	1.0
118.03040	1.0
145.02983	1.4
145.04099	1.4
145.08711	28.5
146.02512	4.8
146.09068	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	145.0985
Annotation	D-Lysine
Peak:m/z	Relative Intensity
51.45117	1.7
60.43202	1.7
67.50600	1.5
69.78813	3.4
69.79191	4.7
70.13427	1.5
89.74773	1.6
97.07715	3.0
145.09846	100.0
146.02505	3.6
146.10196	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	146.0462
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
54.74117	0.7
58.11210	0.7
69.36811	4.6
74.02478	1.5
74.96175	1.4
79.25332	0.7
82.02986	1.1
84.04567	1.1
85.02959	2.8
90.45271	0.7
92.95975	3.3
102.05621	100.0
103.05959	4.7
128.03552	33.3
129.03897	2.0
131.99832	0.8
146.04594	10.7
150.49333	0.9
160.27919	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51900	1.4
57.03448	2.8
59.01372	1.7
61.98838	2.4
69.93417	4.2
71.01384	4.1
74.02496	2.4
85.02948	10.3
87.00883	10.7
92.96027	1.6
94.38680	1.1
101.02486	1.7
102.05619	100.0
103.05992	4.6
115.00433	1.5
118.03103	2.1
128.03557	34.6
129.01988	1.8
145.54376	1.3
146.02495	2.6
146.04616	8.1
147.03047	2.1
147.06662	1.6
153.65855	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	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03452	23.9
59.01376	8.2
66.96291	1.4
71.01392	14.5
71.25340	2.1
71.25704	1.5
74.50177	1.4
85.02960	71.6
86.03334	2.2
87.00886	100.0
88.01236	3.8
101.02438	3.9
102.25374	1.3
103.04000	9.6
107.82014	1.3
108.78658	1.5
115.00381	9.0
126.85823	1.5
129.01961	12.9
147.03030	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	26.4
57.46256	1.6
59.01381	9.4
67.13563	1.4
69.66029	9.2
71.01379	3.6
73.02959	1.9
85.02953	83.6
86.03291	3.6
87.00883	100.0
88.01215	3.2
101.02461	3.5
102.61195	1.5
103.04003	8.3
115.00404	2.2
129.01945	15.5
146.55676	1.7
147.03000	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	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
55.01875	5.6
57.03448	24.0
59.01388	12.2
70.78889	6.4
71.01382	7.6
75.00865	3.2
79.74730	2.2
83.01382	3.2
84.02174	5.5
85.02956	100.0
119.03345	2.5
129.25282	2.3
147.01965	2.8
147.06693	4.8
148.04076	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	147.03
Annotation	Citramalate
Peak:m/z	Relative Intensity
55.01868	3.4
56.45933	2.3
57.03452	21.9
59.01375	13.8
71.01389	5.2
75.69582	2.2
79.70810	2.5
85.02959	100.0
86.03298	5.2
92.05068	14.8
98.22650	5.3
107.35771	2.5
120.04574	14.0
147.01941	4.6
147.02960	2.8
148.04071	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01361	27.3
59.73959	15.0
69.28377	100.0
70.11765	13.6
71.01372	33.3
84.99348	28.9
100.87396	15.2
115.00385	18.3
121.28147	14.7
147.02003	24.8
147.04543	55.5
148.27725	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	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
54.06688	11.6
64.78072	13.1
68.97489	96.4
68.97901	37.5
69.20408	11.1
71.05017	29.2
73.36948	11.9
76.46418	11.7
83.05021	23.1
101.87855	11.6
103.05548	16.9
108.21290	11.0
112.44274	12.8
119.05033	28.9
147.04524	100.0
147.06592	19.9
147.72369	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	147.0455
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
52.42411	10.9
59.01391	17.4
71.01371	12.7
71.26849	24.2
91.57896	8.4
92.05064	70.7
119.05036	15.2
147.01988	23.8
147.04544	100.0
147.61029	10.6
148.04050	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
50.25107	10.7
53.74563	11.9
68.30340	10.9
71.27062	16.7
72.91277	10.0
116.61965	11.4
119.05036	57.3
147.04533	100.0
147.39034	10.4
148.07663	10.7
161.77834	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	149.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.6
59.01384	29.2
71.26678	3.4
72.99315	91.1
73.99664	2.1
75.00879	4.5
87.00883	100.0
88.01208	3.7
98.68011	1.5
103.00359	11.3
105.01938	5.5
130.99867	2.7
140.07387	1.7
148.38490	1.7
149.00922	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0093
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
54.64038	1.7
59.01088	1.9
59.01386	27.3
64.57298	1.4
70.38628	4.2
72.99318	100.0
74.28754	1.7
74.29245	1.7
75.00894	3.3
87.00888	92.9
103.00403	8.8
105.01954	6.4
107.24068	1.8
110.29405	1.6
123.93949	1.6
130.99910	1.9
149.00925	39.6
150.01254	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	149.0093
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
59.01384	40.2
65.83911	1.7
71.01392	2.6
71.24670	2.0
72.99316	96.1
73.02984	2.0
75.00878	5.2
81.83411	1.7
84.39622	1.6
85.02972	2.4
87.00890	100.0
88.01231	2.9
89.02469	2.8
94.95727	11.3
103.00393	11.5
105.01967	5.6
114.90781	1.9
121.37450	1.8
124.01875	1.8
130.99847	3.2
131.03539	3.6
149.00932	42.9
149.04572	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	149.0457
Annotation	L-ribulose
Peak:m/z	Relative Intensity
57.03436	3.5
59.01385	60.5
70.31345	5.1
70.31730	5.5
71.01388	39.6
72.99316	100.0
73.02958	21.9
75.00877	5.9
75.67266	2.4
77.29151	2.9
85.02967	10.1
87.00889	99.6
88.01215	4.4
89.02455	85.7
103.00394	10.9
103.04018	6.5
105.01942	5.8
109.63608	2.6
121.03032	2.6
121.47089	2.7
131.03510	12.1
149.00943	44.8
149.04544	35.6
151.04997	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	149.0458
Annotation	D-(-)-Arabinose
Peak:m/z	Relative Intensity
50.07549	1.0
50.23252	1.0
53.48331	1.2
55.01876	6.1
57.03450	6.0
58.00621	1.7
59.01384	100.0
60.01713	4.0
69.03461	8.2
69.48019	7.4
71.01389	33.1
72.01729	1.1
72.99316	39.7
73.02955	31.0
73.99708	1.4
75.00879	3.2
79.23705	1.1
83.01395	6.4
83.46697	1.2
85.02960	25.0
87.00887	41.8
89.02454	59.6
90.02779	2.1
94.95750	1.0
95.01427	1.1
97.64704	1.1
101.02451	5.1
103.00388	5.1
103.04024	3.6
105.01955	2.6
113.02508	1.1
129.01953	3.4
131.03514	23.6
132.03865	1.8
149.00945	14.4
149.04579	45.3
150.04935	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	150.0325
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
50.97002	1.8
55.98050	1.7
61.26525	1.9
64.52237	1.7
64.89948	2.0
71.01343	3.1
71.26817	2.7
80.92061	2.2
84.05236	1.8
93.03466	1.9
97.09473	2.3
107.05035	5.0
108.02187	6.1
122.03759	96.9
123.04645	4.3
136.01672	49.3
136.02649	4.0
140.12946	2.0
150.00188	5.8
150.03238	100.0
150.05606	8.8
151.04036	15.6
165.62570	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	150.0324
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
59.01385	1.3
65.03979	1.5
77.10213	1.2
78.48602	1.4
88.99469	1.4
93.03472	2.4
107.05040	10.0
108.02205	1.6
108.04585	2.2
109.02950	2.2
118.06187	1.4
121.02982	2.8
122.03756	4.0
122.06121	2.2
123.00917	2.9
123.04536	10.7
127.69140	1.3
136.01677	28.7
139.04089	3.1
149.02448	9.0
150.00214	5.1
150.03238	100.0
150.05634	6.1
151.04050	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0563
Annotation	Acetaminophen
Peak:m/z	Relative Intensity
51.35315	0.2
62.97986	0.2
71.01373	0.2
98.22567	0.4
107.03798	1.5
107.04998	0.4
108.04568	100.0
109.04198	0.5
109.04901	4.7
123.04565	0.2
132.04561	0.5
136.01672	2.3
143.95462	0.2
145.46701	0.2
150.05600	2.5
151.04024	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	151.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
53.00312	1.1
53.60648	0.7
63.02412	1.0
67.01887	4.4
68.60957	0.7
68.99815	3.7
69.03453	4.0
69.45470	0.7
69.94203	2.5
71.01391	0.8
79.01898	8.0
85.02965	3.5
86.06171	0.7
95.01398	100.0
96.01716	3.3
96.52785	0.6
97.02953	1.7
98.21957	1.1
98.22505	0.8
107.01401	85.4
107.04993	0.8
108.01662	3.6
123.00902	19.7
123.04543	0.8
136.01666	12.7
139.00414	0.8
151.00385	24.7
151.04015	1.8
152.00758	1.1
152.03540	2.3
169.01459	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	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.05603	0.3
69.03463	0.3
69.17761	2.2
88.49784	0.3
95.01424	1.6
99.84592	0.3
108.02190	7.2
113.32726	0.3
123.00906	0.3
123.04633	0.4
136.01682	100.0
137.02028	5.7
151.04034	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	151.0767
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
55.01880	1.4
59.01381	1.2
63.02407	3.5
63.45872	1.4
65.00316	5.6
71.01376	3.7
71.28508	2.0
81.03453	2.3
83.01368	2.6
89.02431	1.7
93.03470	2.6
95.01398	2.3
100.04212	1.1
107.01379	4.3
107.05051	13.1
108.02180	4.8
108.04528	2.8
109.02959	3.9
109.06606	2.6
122.03754	5.0
123.04549	8.2
125.06100	16.8
135.04529	6.0
136.01677	51.2
136.05312	57.0
137.05637	2.0
150.06874	4.4
151.00436	1.5
151.04071	12.6
151.07660	100.0
152.03500	6.6
152.04652	1.6
152.08012	5.2
169.02505	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	151.113
Annotation	Dehydro-1,8-cineole
Peak:m/z	Relative Intensity
55.01886	8.5
62.24967	1.7
63.02389	1.7
66.03501	3.7
69.48946	10.0
71.01394	3.4
79.56671	1.7
83.01476	2.3
95.01398	4.2
95.05042	6.4
97.06591	18.6
107.05053	15.9
108.02187	7.7
108.04569	4.3
109.02999	1.7
110.02477	1.7
111.08154	2.9
122.03750	4.7
123.00882	1.9
123.04512	5.7
136.01686	64.2
151.04033	11.2
151.05110	2.3
151.07774	2.4
151.11307	100.0
152.03505	8.8
152.07181	2.7
152.11627	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	152.0116
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
50.83436	1.2
59.14899	1.5
62.13520	1.3
65.00339	1.2
71.27732	2.9
80.02675	12.0
87.01501	1.3
95.01381	6.5
96.28469	1.1
102.33536	1.4
108.02182	100.0
108.04536	2.1
109.02998	29.5
110.00105	2.6
122.03753	1.9
122.62007	1.5
123.00900	63.5
125.02461	1.8
137.01994	2.0
138.03249	34.0
151.00449	1.9
152.01166	48.4
152.03551	5.5
153.01971	9.3
153.05576	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	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
69.27184	0.6
69.27583	1.4
79.01884	0.2
98.22556	0.5
103.42461	0.2
105.51382	0.2
108.02197	0.9
108.04582	0.5
109.02966	9.5
110.00098	0.3
120.02522	0.2
121.02946	1.6
122.03751	47.8
123.00903	0.3
123.04089	2.5
137.02016	0.4
152.03548	100.0
153.02034	2.3
153.03923	5.2
157.82921	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	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
65.00321	1.1
69.88187	2.9
78.03494	1.8
81.03465	1.6
83.01379	0.8
98.21776	0.7
107.03781	6.5
108.02202	3.1
108.04562	2.4
109.02963	29.0
110.00105	1.4
121.02999	0.9
122.02437	1.7
122.03757	32.8
123.04140	0.8
124.04045	0.8
125.02500	0.7
130.21286	0.6
136.01605	0.6
137.01979	1.5
151.00334	0.7
152.03546	100.0
153.01968	6.1
153.03917	5.4
171.14149	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	152.0719
Annotation	Dopamine
Peak:m/z	Relative Intensity
65.34503	0.4
65.65867	0.5
66.03481	0.6
69.14291	0.6
69.14640	4.2
85.02940	0.5
95.01391	0.6
105.02607	0.5
108.02187	5.5
108.04576	1.3
109.02961	8.7
110.00149	1.7
110.02486	0.8
122.03754	58.4
123.04618	6.6
124.01665	5.7
125.02444	0.6
136.01715	1.5
137.02461	10.1
137.99651	0.6
152.03580	1.8
152.07187	100.0
153.01941	6.1
153.07558	5.4
154.02737	11.8
163.88866	0.5
170.48926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.5
62.74262	2.3
63.71215	2.9
65.00319	17.1
67.01877	3.6
68.99828	16.6
81.03432	2.9
83.01392	22.0
83.81026	2.3
85.02964	4.0
86.22381	2.4
95.01403	2.8
97.66836	2.2
101.90475	2.3
107.01398	22.9
108.02272	3.1
109.02969	37.3
110.00086	4.4
112.24866	2.5
115.97604	2.6
123.00907	15.4
125.02458	12.2
138.03250	8.4
151.00394	79.3
152.00719	4.0
153.00708	5.5
153.01950	100.0
154.02368	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	153.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03973	14.8
66.04282	0.6
67.01897	6.9
70.82304	0.9
81.03462	1.2
82.03001	0.7
91.01895	5.5
108.02190	2.1
109.02964	100.0
110.00112	1.4
110.03294	5.1
123.00916	1.3
123.19408	0.6
125.02465	1.0
135.00897	24.4
136.01224	1.6
137.99564	0.8
139.22322	0.5
153.01953	49.1
154.02397	2.6
167.40465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17519	0.5
67.01897	0.7
68.99793	0.4
69.03455	1.9
70.71948	0.4
71.10980	0.7
71.11329	0.8
74.19713	0.4
79.01893	1.7
81.03468	3.6
82.03017	0.6
82.08025	0.5
82.40174	0.4
85.02955	0.8
95.01379	1.2
97.02966	2.0
101.09135	0.4
101.17343	0.4
107.01385	0.8
108.02198	8.1
109.02246	0.9
109.02972	18.2
110.00114	1.3
110.03347	1.0
112.10543	0.4
123.00887	1.5
124.01704	2.2
124.04100	0.5
125.02477	3.5
137.69633	0.5
137.99625	0.5
152.01187	4.0
153.01956	100.0
154.02304	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	153.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.3
61.60424	0.9
63.02398	1.9
65.00335	17.0
65.03966	1.0
65.17454	0.8
67.01887	3.8
68.42783	0.9
68.99825	13.7
71.26360	1.2
81.03458	3.8
83.01390	34.3
85.02967	4.0
90.39941	0.9
107.01400	20.2
108.02195	1.8
109.02961	35.5
109.03717	1.7
110.03304	1.6
111.00888	3.0
125.02470	15.9
131.94072	1.0
151.00385	72.4
152.00722	4.2
153.01952	100.0
154.02307	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	153.0197
Annotation	Gentisic acid
Peak:m/z	Relative Intensity
65.03987	0.6
67.01900	0.9
69.03462	1.4
70.29517	1.2
70.29913	1.0
78.54610	0.5
79.01908	0.9
81.03463	3.0
83.01393	0.8
85.02976	1.9
93.04562	0.5
95.01406	2.5
97.02982	1.9
107.01389	0.8
108.02190	17.2
109.02969	31.0
110.00133	4.1
110.02560	0.5
110.03294	1.4
123.00914	2.6
124.01670	2.0
124.04082	0.9
125.02461	4.2
137.99608	1.2
152.01167	4.0
153.01955	100.0
154.02357	4.5
154.06241	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	153.0196
Annotation	Gentisic acid
Peak:m/z	Relative Intensity
65.00307	0.6
69.03452	0.9
71.01406	0.6
71.26296	0.6
81.03464	3.9
85.02957	2.9
91.01907	0.7
95.01407	3.2
97.02957	0.4
108.02188	39.7
109.02969	100.0
110.00119	3.0
110.03281	4.8
123.00885	2.9
123.04553	0.7
125.02486	0.5
137.99583	0.9
153.01959	21.7
153.05553	0.6
154.02376	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	153.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96306	0.5
65.00314	0.5
71.27301	0.7
95.01398	8.7
108.02177	1.0
109.02980	9.2
110.00114	1.8
110.03308	0.5
111.00954	1.2
115.46274	0.5
123.00899	100.0
124.01229	3.7
125.02449	0.7
135.04524	0.4
138.03242	58.3
139.00395	3.1
139.03601	2.5
151.00415	0.7
153.01942	2.3
153.05573	3.1
167.68613	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	154.0148
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
52.88881	0.3
55.01864	0.4
59.61077	0.4
65.99864	2.4
67.77333	0.3
69.01673	2.5
71.62652	0.3
93.03483	1.0
95.01398	0.9
107.01443	0.7
110.03288	0.5
111.00873	0.4
123.00899	11.1
124.01676	31.4
125.01968	1.7
154.01474	100.0
155.01816	4.5
164.00241	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	154.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70908	0.3
57.32505	0.4
57.66085	0.4
66.03497	3.0
67.03020	9.4
71.25506	0.4
71.25925	0.3
72.00916	13.0
74.02471	1.5
80.03807	13.6
80.69586	0.3
81.04586	15.5
82.01718	0.6
82.04954	0.4
91.03043	0.3
93.04591	100.0
94.04332	0.6
94.04911	3.2
94.52715	0.3
95.02514	1.3
96.95999	0.8
97.18729	0.3
108.05695	10.8
109.04089	4.3
110.07253	20.3
111.07591	0.7
112.02803	1.2
112.04005	0.3
118.04115	4.0
134.03639	0.9
136.05176	6.9
137.03583	51.3
138.03989	2.0
151.03903	1.2
154.06241	91.3
154.90652	0.5
155.06613	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	154.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43149	1.2
55.01881	6.7
62.09630	1.3
63.68325	1.0
64.13494	1.3
65.00329	16.8
66.03474	5.5
67.01887	2.7
67.03016	10.7
67.52396	1.3
71.01380	2.7
71.25876	1.7
71.26275	1.4
72.00912	15.6
78.95887	6.3
80.03815	14.7
81.03453	7.7
81.04581	14.8
82.02996	2.6
83.01404	10.2
83.05030	6.0
88.65981	1.3
93.03473	30.1
93.04588	100.0
93.64183	1.2
94.04922	3.0
99.07919	1.3
108.04530	1.6
108.05690	11.4
109.02965	3.1
109.04086	5.4
110.02596	2.0
110.03278	8.8
110.07257	23.0
111.00912	8.5
111.04532	29.9
118.04106	4.0
124.04095	1.4
127.00307	1.5
127.04033	12.1
136.05177	4.5
137.02470	6.4
137.03564	49.0
151.03967	1.5
154.01428	4.7
154.02423	3.8
154.05173	3.6
154.06233	95.4
154.99881	5.4
155.03600	8.0
155.06627	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	154.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85534	0.3
55.01878	0.7
65.00330	100.0
65.03969	0.5
66.00673	2.7
67.01897	1.1
68.99824	0.9
71.25044	0.3
76.95027	0.3
78.95891	0.5
79.95752	0.3
81.03458	1.6
83.01395	4.3
83.05035	1.5
93.03467	9.8
93.04038	0.5
94.03809	0.6
94.98113	0.8
96.89308	0.3
96.96018	0.3
98.02499	0.5
102.94595	0.3
108.99338	0.4
109.03015	0.5
111.00889	3.8
111.02029	1.0
111.04533	4.1
112.04938	0.3
124.28013	0.2
127.04021	2.4
129.28265	0.3
136.98801	2.2
137.02501	0.8
140.58478	0.3
141.78754	0.3
147.65282	0.3
155.00081	1.3
155.03540	1.1
170.07896	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	154.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
65.00332	100.0
66.00665	3.0
67.01890	1.4
68.99833	1.3
71.25438	0.9
81.03473	3.5
83.01395	2.9
83.05051	1.0
84.00949	0.5
93.03509	1.0
96.96008	0.5
98.02489	3.4
108.99329	0.8
109.02983	1.3
111.00887	3.4
111.04532	11.7
112.04099	0.5
127.04031	8.3
128.04471	0.5
136.98834	2.4
137.02466	1.0
151.07368	0.4
155.00108	1.0
155.03551	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	155.0352
Annotation	Opuntiol
Peak:m/z	Relative Intensity
55.01876	2.5
56.25903	0.8
58.66923	0.7
59.01382	2.0
65.00333	1.5
65.03960	2.2
67.01895	0.9
69.03446	1.0
69.42344	1.3
69.42753	4.2
70.03023	0.7
76.59175	0.8
81.03461	32.4
82.03818	1.3
83.01392	2.3
83.05029	11.9
93.03464	20.6
98.22437	1.1
105.29619	0.8
109.02966	9.3
111.00897	2.4
111.04530	100.0
112.04865	4.7
114.05616	4.1
127.04024	73.8
128.04352	3.7
137.02460	7.7
140.01160	5.9
154.99873	1.7
155.03529	29.7
156.03893	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	155.0352
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
53.53604	0.8
55.01883	9.4
56.41517	0.8
59.01372	2.2
64.41356	0.9
65.00339	5.2
65.03965	1.4
67.01900	6.1
70.13483	2.4
71.01372	2.6
72.99301	4.3
78.95898	2.2
81.03466	39.6
83.01395	21.0
83.05032	12.2
88.63900	0.9
93.03464	18.9
96.96004	1.2
99.92605	2.1
109.02972	12.7
111.00889	23.7
111.04531	100.0
112.04874	4.5
114.05617	9.1
127.00395	1.5
127.04025	77.2
128.04356	4.0
136.98576	2.8
137.02464	8.7
154.97549	1.0
154.99942	6.8
155.03531	32.0
156.03893	1.6
156.07809	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	155.0352
Annotation	1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
50.16837	1.0
55.01883	11.1
59.01360	3.1
63.43965	1.3
65.00333	12.2
65.03960	1.5
67.01896	32.8
67.03040	1.3
68.97000	12.8
71.01386	4.8
72.99311	17.4
73.20289	1.1
78.95917	5.4
81.03467	33.7
82.03826	1.5
83.01399	55.5
83.05035	12.4
83.17006	1.2
85.02971	1.5
93.03468	22.2
96.96027	2.8
96.96983	3.4
97.37961	1.3
98.02505	5.0
99.00883	3.0
105.51986	1.3
109.02949	12.4
111.00893	95.0
111.04532	100.0
112.01240	4.6
112.04131	1.9
112.04885	4.1
112.98616	3.6
114.05635	11.2
127.00378	5.8
127.04026	76.7
128.04387	4.7
136.98584	12.9
137.02477	7.9
154.97540	6.8
154.99893	11.1
155.03539	28.1
155.06607	1.4
156.03857	1.8
156.07823	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	155.0352
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
55.01886	7.3
59.01369	1.9
65.00331	31.4
65.03959	0.9
66.00652	1.0
67.01878	2.5
67.03033	2.1
70.61246	2.6
71.01390	1.7
72.00891	1.3
81.03463	40.2
83.01398	7.5
83.05032	14.2
84.04575	1.2
93.03469	11.6
93.04606	2.5
94.04404	1.7
94.04919	9.0
98.02518	4.8
99.00863	1.2
109.02970	12.8
111.00911	7.5
111.04532	100.0
112.04120	2.2
112.04900	5.1
112.08819	2.2
114.05623	21.2
123.83702	1.1
127.00438	2.3
127.04028	74.6
128.04378	3.7
137.02460	7.3
138.03961	4.1
140.01172	3.1
154.97672	1.1
154.99921	3.3
155.03551	37.2
155.06644	7.5
156.03987	1.5
156.06685	2.0
156.07808	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	156.991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94041	0.7
59.01385	100.0
60.01703	1.2
67.10869	0.8
69.85067	1.7
69.85481	2.2
77.21776	0.7
79.79253	0.7
94.38790	0.7
95.39141	0.7
98.21919	1.1
98.26326	0.7
160.66499	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	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
53.28556	0.9
59.01353	1.1
62.09211	0.8
98.22554	2.0
100.36524	1.1
102.49951	0.9
107.49700	0.8
113.06094	100.0
114.06460	4.6
127.00405	1.1
157.05104	7.7
157.08675	2.1
157.12354	2.0
158.05319	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	157.0872
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
59.01387	23.6
60.22523	1.9
62.65317	1.9
67.05537	3.3
71.01389	17.7
83.01365	2.2
83.05023	2.0
86.10033	2.4
95.80905	2.1
109.06604	8.4
111.08176	5.6
116.07806	2.2
127.07664	56.1
128.08061	3.8
139.07655	39.9
140.08031	2.6
157.08722	100.0
158.09055	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	158.0823
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
57.33360	1.4
59.01390	4.4
69.03453	5.1
70.46008	1.3
71.01388	7.1
71.12561	1.3
71.26011	1.5
72.99290	1.7
73.02959	3.0
84.04572	1.8
85.02973	4.7
86.02477	2.4
86.06112	2.6
87.05672	2.1
88.04059	18.0
94.02976	1.8
96.04567	51.0
97.02968	5.9
97.04925	1.8
98.06123	3.1
101.92496	1.9
103.92048	9.1
107.64386	1.4
109.27938	1.6
111.00906	1.9
114.05650	2.1
114.09243	6.2
115.08784	7.8
116.07187	100.0
117.07524	4.2
128.03552	2.8
130.94371	3.0
141.89009	1.8
158.04628	4.2
158.06093	1.9
158.08220	16.7
158.89330	24.3
159.03035	4.0
159.07742	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	158.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33360	1.4
59.01390	4.4
69.03453	5.1
70.46008	1.3
71.01388	7.1
71.12561	1.3
71.26011	1.5
72.99290	1.7
73.02959	3.0
84.04572	1.8
85.02973	4.7
86.02477	2.4
86.06112	2.6
87.05672	2.1
88.04059	18.0
94.02976	1.8
96.04567	51.0
97.02968	5.9
97.04925	1.8
98.06123	3.1
101.92496	1.9
103.92048	9.1
107.64386	1.4
109.27938	1.6
111.00906	1.9
114.05650	2.1
114.09243	6.2
115.08784	7.8
116.07187	100.0
117.07524	4.2
128.03552	2.8
130.94371	3.0
141.89009	1.8
158.04628	4.2
158.06093	1.9
158.08220	16.7
158.89330	24.3
159.03035	4.0
159.07742	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	159.03
Annotation	2-Formylglutarate
Peak:m/z	Relative Intensity
57.03445	2.8
59.01379	3.3
60.36765	1.9
68.30300	2.0
69.03457	5.2
69.35154	12.2
69.35563	3.3
71.01403	5.1
71.05032	25.2
73.02929	2.5
84.04560	10.1
85.02966	4.0
87.04514	22.5
88.04041	42.8
97.02977	5.8
98.06128	4.4
113.02437	2.9
115.04020	100.0
116.04327	2.7
118.05108	2.4
118.05840	2.0
130.05119	8.2
159.03033	9.8
160.04175	3.1
160.06148	3.4
164.26608	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	159.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
60.68738	1.6
69.02670	8.3
69.03099	10.7
71.01387	3.0
73.02949	17.2
85.06586	6.6
87.00894	2.1
88.04076	3.8
97.06620	3.4
99.92597	5.8
111.00897	2.3
113.06147	10.5
114.94912	3.4
115.07663	100.0
116.07993	4.5
116.92857	16.3
124.38230	2.1
141.01982	2.0
159.03050	3.6
159.06604	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	159.0664
Annotation	(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
53.42979	1.6
55.31648	1.8
59.01389	2.9
66.18150	1.8
68.40773	1.8
69.25482	1.7
69.57523	1.6
71.01414	4.6
72.81656	1.7
73.02946	17.9
76.66163	1.9
85.06599	7.2
88.04083	1.7
91.53573	1.5
97.06616	2.4
98.22609	4.4
99.92607	8.2
111.00948	2.0
113.06096	10.0
114.94957	5.1
115.07661	100.0
116.07996	4.8
116.28808	1.7
116.92874	25.3
129.01978	2.4
149.53506	2.0
159.03049	2.7
159.06685	4.2
159.10312	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	159.0778
Annotation	D-Alanyl-D-alanine
Peak:m/z	Relative Intensity
55.01868	1.6
55.82792	1.0
57.03447	2.0
58.02972	1.4
59.01372	2.0
65.15848	0.9
69.03445	2.5
70.02981	4.1
70.39855	2.7
70.40215	1.7
71.01381	7.4
72.04549	4.3
72.99326	5.1
73.02943	1.6
74.02454	1.4
78.95924	1.0
79.82883	1.0
80.67420	1.0
83.01405	3.7
84.04552	3.0
85.02965	7.3
87.00871	1.1
87.05637	15.3
87.92549	2.7
88.04049	100.0
89.02487	1.0
89.04375	2.4
96.04556	1.5
97.02963	7.9
97.04868	6.5
98.02473	1.4
98.06121	13.2
99.00905	2.0
99.05653	1.9
99.14987	1.0
100.09348	1.0
103.92031	1.3
111.00886	1.2
113.07252	1.3
115.04031	1.4
115.08784	47.1
116.07188	2.3
116.09105	1.6
129.01907	1.3
130.05104	1.5
132.43175	0.9
141.01985	2.5
142.05107	1.3
159.02997	3.9
159.07768	65.7
160.06172	2.5
160.08115	2.7
172.55486	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	159.1027
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
57.03450	2.7
59.01372	0.7
60.99293	0.3
69.00184	4.0
79.67968	0.4
83.05034	3.4
88.04035	0.5
97.06603	9.9
98.06931	0.7
99.92606	1.0
101.01350	0.4
113.09738	100.0
114.10065	4.4
114.94973	0.7
115.11300	4.2
116.92864	1.9
139.07657	0.4
141.09232	7.2
157.08705	1.1
159.04578	0.8
159.10278	40.9
160.04128	0.5
160.10577	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	160.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19145	0.5
56.05059	0.7
57.03449	7.0
58.02991	4.4
59.01376	4.2
61.98835	3.3
69.04516	4.8
71.01377	3.0
71.05032	0.7
72.04557	0.7
73.00330	0.5
73.02945	1.2
74.02483	4.1
77.25204	0.6
79.95705	0.6
84.04556	21.1
85.02946	2.5
86.06118	1.5
87.00880	1.2
87.92548	2.6
88.04048	100.0
89.04384	2.4
96.04572	0.5
96.95959	0.8
98.02483	1.4
98.06117	8.3
98.22577	1.2
99.04527	0.8
99.06432	0.7
103.92068	2.5
108.02229	1.4
112.04053	1.3
113.02492	0.8
115.04092	0.8
118.05130	6.0
130.05113	16.8
143.03505	1.6
160.04083	1.1
160.06184	10.9
161.04561	1.6
161.91402	0.6
176.13435	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	160.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	1.0
57.03461	5.3
58.02982	3.3
59.01376	1.8
60.99314	0.5
61.35209	0.4
66.51766	0.3
69.44719	0.5
69.45316	2.0
70.02950	0.5
74.02483	3.8
84.04556	19.3
86.02498	0.6
86.06113	1.7
88.04049	100.0
89.04391	1.4
95.16583	0.4
98.02511	1.4
98.06117	7.9
98.21857	0.8
112.04073	1.2
116.03571	0.6
118.05127	5.8
130.05113	19.5
131.05411	0.6
146.13890	0.5
159.82426	0.4
160.06163	11.3
161.06581	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	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
50.26720	0.3
57.03439	0.6
57.60452	0.2
59.01394	1.8
65.00319	0.6
71.01387	1.6
72.99322	0.4
73.02949	0.6
77.03952	0.3
81.03500	0.5
83.01389	0.5
85.02962	2.4
86.55202	0.3
89.03978	1.7
95.05024	1.7
105.03447	0.3
113.13309	0.3
117.03471	4.1
123.04543	5.7
130.29832	0.3
131.03520	1.0
133.02979	20.0
134.03340	0.8
149.02434	0.4
150.32857	0.3
160.84184	0.5
161.02466	100.0
162.02850	5.8
167.91338	0.3
178.40895	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	161.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
57.03459	13.7
58.00602	4.3
59.01385	100.0
67.50381	2.6
69.03459	5.7
69.34190	6.0
69.34589	12.2
71.01389	60.4
71.55535	2.2
72.01745	2.6
72.99323	9.8
73.02953	26.8
75.00865	5.4
81.03459	13.2
83.01398	14.7
85.02959	86.4
86.03297	3.3
87.00890	10.6
89.02464	18.6
97.02971	6.1
101.02454	5.0
102.26846	2.3
110.52400	2.5
113.02495	7.3
118.03018	3.5
118.95625	6.0
119.00185	5.4
119.95267	10.3
121.53685	2.4
125.02481	3.3
129.01924	4.7
131.03526	35.0
141.36301	2.4
143.03484	2.8
154.57317	2.4
160.89314	8.6
161.02522	4.9
161.04590	56.9
162.01970	9.6
162.05661	5.5
166.97421	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	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.3
57.03447	41.3
58.00612	5.4
58.72799	4.0
59.01387	77.7
60.01738	4.7
61.03466	4.0
67.80309	4.4
68.98003	28.9
68.98404	11.0
69.03446	9.1
71.01389	66.2
71.05028	15.1
72.63065	3.7
72.99321	13.0
73.02958	39.5
75.00877	7.3
81.03482	12.6
83.01387	19.3
85.02959	100.0
87.00889	13.2
88.04049	6.6
89.02463	17.6
89.04400	7.0
89.59710	3.7
95.87099	3.7
97.02977	13.0
99.00929	5.1
99.04529	43.7
101.02450	68.9
103.92059	21.7
113.02486	14.1
115.04035	5.8
117.05593	10.9
118.03016	6.8
125.02535	4.1
131.03532	32.0
134.02553	4.9
141.59282	3.7
143.03561	18.7
160.89284	14.2
161.02492	8.5
161.03474	4.4
161.04605	75.1
161.08197	4.3
162.02000	15.5
162.05635	29.0
163.75212	4.3
183.69365	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	161.0458
Annotation	Lichenin
Peak:m/z	Relative Intensity
52.96657	3.0
55.01904	3.9
57.03444	13.8
58.00586	3.8
59.01382	74.5
69.03451	8.5
69.58253	12.7
69.58670	5.1
71.01386	71.0
72.99308	13.0
73.02956	45.3
75.00874	11.4
80.92641	3.2
81.03452	14.0
83.01385	20.3
85.02960	100.0
87.00891	15.4
89.02434	19.7
97.02990	7.2
98.21807	3.6
99.04522	16.4
101.02450	14.8
103.92038	15.1
113.02470	8.0
116.92896	8.6
119.05041	3.8
129.01942	5.7
131.03520	42.9
133.02971	6.2
143.03477	6.0
144.19554	3.4
160.89325	16.4
161.02457	6.8
161.04610	62.9
161.05933	8.3
161.08231	5.6
161.89381	5.4
162.01956	18.7
162.05602	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	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03448	1.8
59.01395	2.8
69.86570	0.6
70.48222	1.6
71.01385	3.1
71.05025	15.4
72.99303	1.1
73.02950	2.1
81.03479	1.2
83.01389	1.0
85.02959	4.2
87.00866	1.5
87.04520	0.8
89.02457	0.7
97.02979	1.3
99.04529	46.4
100.04877	1.3
103.92041	0.7
115.04027	29.9
116.04385	0.8
117.05593	6.1
131.03508	1.3
135.85095	0.5
143.03516	100.0
143.57886	0.5
144.03879	4.8
161.04573	10.6
162.01976	0.9
162.05652	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	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	17.7
58.03942	3.3
59.01383	55.8
69.03466	6.5
69.67556	17.7
69.88840	3.4
71.01388	55.1
71.05022	53.0
72.99303	13.8
73.02962	31.1
75.00880	5.0
81.03452	8.7
83.01402	15.4
85.02952	58.9
87.00877	73.5
89.02450	15.3
97.02940	4.7
98.22415	5.4
99.04527	100.0
101.02453	57.3
103.92022	7.7
113.02464	7.2
115.04021	28.2
117.05583	17.1
118.02941	3.8
125.02402	4.5
131.03502	29.6
133.02953	11.7
143.03506	93.5
160.89278	4.6
161.02444	17.1
161.04565	90.7
162.01994	8.5
162.05002	4.8
163.69684	4.7
174.58731	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	162.0325
Annotation	Benzoylacetate
Peak:m/z	Relative Intensity
58.01025	0.9
59.01367	1.8
71.01394	0.9
79.74802	0.8
80.25668	0.8
85.02970	0.8
86.03290	1.0
91.01884	2.1
91.05542	0.9
93.03464	3.7
95.01443	0.9
95.05033	0.8
97.76593	0.9
106.04251	3.6
107.05041	1.7
108.02305	0.9
118.02986	2.9
118.03743	0.9
119.01401	2.6
119.05043	98.2
120.02194	5.8
121.02968	3.6
123.04530	2.6
133.02988	5.2
134.03758	31.8
135.00873	1.4
135.04509	3.5
135.95279	0.8
145.03006	1.3
161.02452	9.5
162.02045	7.2
162.03239	100.0
163.00394	4.2
163.04016	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.19970	0.5
57.36768	0.4
57.50969	0.4
72.00919	0.6
91.01870	0.5
92.23475	0.5
93.03471	1.7
119.05038	100.0
120.05360	5.2
147.04523	1.8
162.83949	0.9
163.00366	1.2
163.04062	6.3
164.07164	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	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.39236	0.1
70.87547	0.2
70.87860	0.3
72.45275	0.1
77.11507	0.2
77.93174	0.1
77.95791	0.1
79.32392	0.2
91.05560	0.3
93.03471	1.1
94.44268	0.1
115.67361	0.2
117.96803	0.2
119.05038	100.0
120.05368	4.7
120.97138	0.2
122.52522	0.1
163.04025	5.7
164.04388	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	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68541	0.1
63.52456	0.2
70.44421	0.3
70.44778	0.4
86.70646	0.2
91.01902	0.2
91.05553	0.4
93.03468	1.1
117.03506	0.2
119.05039	100.0
120.05373	5.4
135.00888	0.2
147.04538	0.4
148.05278	0.4
162.83925	0.4
163.00391	0.3
163.04024	4.3
163.07671	0.7
169.94986	0.2
184.78209	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	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
52.70388	0.2
69.52090	0.8
69.52514	0.3
72.00887	0.2
79.92774	0.1
92.05083	0.4
93.03470	1.3
98.21743	0.2
117.03452	0.3
119.05045	100.0
120.04572	0.3
120.05373	5.4
147.04562	0.8
163.00459	0.2
163.04030	5.3
164.04366	0.4
164.07172	0.2
180.83617	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
71.26555	0.5
72.00911	0.8
91.01911	0.8
91.05538	0.4
91.93444	0.3
93.03445	1.4
95.01418	0.5
117.03504	0.6
119.05042	100.0
120.04561	0.4
120.05370	6.2
121.02982	0.5
135.00905	0.6
135.04555	0.8
145.02910	0.3
147.04530	1.8
162.89407	0.7
163.00403	2.2
163.02689	0.3
163.04016	5.9
163.05237	0.5
164.00996	0.4
164.07196	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	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60978	0.3
64.25636	0.3
69.39838	1.2
69.40253	0.6
75.83595	0.2
78.04867	0.3
79.91856	0.2
87.11292	0.3
90.27096	0.2
91.05573	0.3
93.03465	1.7
116.52743	0.3
117.03461	0.4
119.05042	100.0
120.05365	6.1
130.91161	0.2
142.31784	0.2
163.04025	6.3
164.04373	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	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
59.43251	0.5
70.40983	1.3
93.03460	1.9
119.05042	100.0
120.05379	4.7
126.80633	0.5
137.73474	0.5
141.20775	0.6
163.00356	0.5
163.04028	8.5
164.04276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68621	0.4
58.91545	0.4
61.33900	0.4
70.61024	1.0
70.61358	0.5
90.95219	0.4
93.03465	2.7
96.71503	0.4
119.05037	100.0
120.05376	5.3
132.18941	0.5
135.04515	0.4
136.04144	0.5
151.27515	0.4
152.03212	0.5
162.11307	0.4
163.04013	5.2
182.90453	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	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50023	0.2
69.83866	1.2
72.00912	0.3
72.99323	0.3
81.56558	0.2
91.01929	0.4
91.05505	0.4
93.03450	1.4
101.02417	0.5
101.26556	0.2
102.56870	0.2
105.06061	0.2
111.93707	0.2
114.47651	0.3
119.05043	100.0
120.04546	0.4
120.05384	4.9
121.02996	0.3
135.01865	0.2
135.04620	0.3
138.93079	0.3
142.09113	0.2
147.04512	1.1
163.00340	0.6
163.02696	0.3
163.04025	6.0
164.04507	0.3
164.07274	0.5
174.64191	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	163.0614
Annotation	(+)-Quercitol
Peak:m/z	Relative Intensity
50.77585	0.8
59.01379	0.9
60.99319	0.8
61.98837	1.0
71.01382	6.2
71.31156	1.4
72.99323	2.5
73.02954	34.3
75.00866	2.9
81.03471	3.2
83.01381	3.2
83.05014	1.7
85.02929	1.5
87.04511	1.3
88.98806	4.7
91.01926	1.3
93.03461	3.1
99.04536	7.5
101.02448	2.3
106.01880	0.8
109.03061	0.8
117.03508	0.8
119.05038	100.0
120.04559	1.9
120.05385	4.2
131.35611	0.7
134.04787	1.6
135.04495	1.8
136.04024	1.3
136.42766	0.6
143.03496	0.8
145.05083	9.8
162.89322	3.6
163.00426	2.8
163.04012	8.1
163.04826	0.8
163.06189	15.9
164.03545	2.4
164.07150	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	163.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62508	0.5
54.54382	0.4
69.10452	1.3
69.10858	3.8
69.60098	0.5
75.71655	0.6
91.01913	1.8
93.03468	1.8
102.55237	0.5
119.01411	1.1
119.05041	78.1
120.05373	3.4
121.02976	1.4
128.87726	0.5
133.85408	0.6
135.04570	1.2
147.04553	1.6
148.05319	100.0
149.05638	5.9
162.83920	20.8
162.89293	1.1
163.00359	3.1
163.01465	0.5
163.03979	5.2
163.06372	0.8
163.07629	4.0
164.03551	1.4
164.07175	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	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01395	1.2
61.98827	3.0
63.25141	0.8
67.02521	0.7
71.28278	1.4
81.62484	0.7
86.86356	0.8
91.01875	1.3
103.01504	0.7
107.05003	0.8
116.92088	4.3
116.92801	0.7
119.01418	0.7
119.05034	28.3
120.05353	1.3
121.02969	1.0
135.00894	0.9
147.08197	1.1
162.83926	17.9
162.89249	1.3
163.00385	4.7
163.03970	1.7
163.11296	100.0
164.03531	1.5
164.11656	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	164.0715
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
65.00318	0.8
68.99820	0.7
70.59341	1.3
72.00915	7.4
80.05070	3.1
92.05048	0.8
92.99823	3.4
93.03436	1.3
94.02998	1.2
108.04584	1.1
108.08211	1.5
113.05266	0.7
118.02973	0.7
119.05048	1.4
120.04569	1.9
120.05379	8.1
121.02969	16.3
121.05334	3.2
124.04021	0.7
136.04050	2.6
136.07690	15.7
137.02431	0.8
137.04802	2.5
137.08147	0.7
139.72191	0.6
147.04533	21.2
148.04863	1.7
149.04817	4.0
153.04294	1.9
164.03510	6.9
164.07175	100.0
165.01923	1.4
165.05525	0.7
165.07550	5.6
165.08820	0.8
181.03836	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
61.92042	0.8
70.38785	2.0
72.00916	41.7
75.00864	1.2
82.71399	0.8
86.28140	0.9
87.00885	0.9
87.17296	0.7
89.97653	0.7
91.05540	2.0
103.05543	3.6
107.85310	0.9
119.05048	2.6
120.04642	0.9
120.05340	4.7
121.02975	3.1
133.08115	0.9
147.04539	100.0
148.04860	5.3
164.07182	39.5
164.08566	1.6
165.07593	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	164.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10506	0.6
51.49176	0.7
53.10432	0.7
53.27562	0.7
53.90159	0.8
58.65207	0.7
58.76105	0.6
62.51674	0.7
63.43201	0.7
66.69733	0.8
69.15441	5.3
72.00917	45.9
72.64198	0.7
77.03945	0.7
84.26172	0.7
91.05567	2.1
103.05556	4.3
119.05055	2.5
120.05357	1.7
121.02970	4.2
147.04541	100.0
148.04883	4.6
152.06508	0.6
164.07179	44.8
165.07564	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	165.0195
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.47881	0.6
66.85371	0.6
69.14734	0.6
77.03974	1.2
83.18166	0.6
87.66160	0.7
92.22231	0.6
93.03474	2.2
115.14758	0.6
121.02969	100.0
122.03297	4.4
149.00970	0.9
165.01952	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	165.0406
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
53.46712	0.2
55.01891	2.1
55.91857	0.2
57.03441	1.6
58.00595	0.3
59.01382	8.2
60.99322	0.5
68.99803	0.3
70.64870	0.5
70.65186	0.4
71.01386	5.0
72.99307	6.7
73.02972	0.6
75.00877	100.0
75.48048	0.3
76.01221	1.6
83.01390	0.3
85.02959	2.6
87.00883	6.8
88.98813	1.3
89.02447	2.4
92.93282	0.3
99.00882	2.3
101.02483	1.6
105.01924	2.3
111.00944	0.3
117.01942	1.0
119.03455	0.4
129.01955	8.7
144.37680	0.2
147.03030	3.7
148.03375	0.3
165.04048	30.2
166.04393	1.0
170.90666	0.3
173.88242	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	165.0557
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
72.99314	40.4
77.04004	0.4
83.74265	0.4
87.01034	0.4
91.05545	1.1
93.03458	0.6
101.03979	2.7
103.05532	2.2
117.03485	1.4
119.05038	43.4
120.05379	1.8
121.02963	4.6
136.01740	0.4
147.04536	100.0
148.04877	4.8
161.87219	0.4
165.05580	23.3
166.05977	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	165.0558
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02367	0.2
77.03970	1.2
92.99821	0.3
93.03449	0.9
98.22623	0.4
108.01411	0.2
108.02174	4.2
109.02991	0.4
116.53963	0.2
119.05029	0.6
121.02968	18.1
122.03761	20.2
123.04517	1.2
135.04564	0.2
135.27286	0.2
136.01773	0.3
137.02464	1.0
144.93266	0.2
147.04558	0.6
149.00980	0.7
150.03238	100.0
151.00412	0.2
151.03575	5.1
165.01956	1.8
165.05569	3.3
165.06815	0.2
166.01427	0.4
166.05115	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	165.1286
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.67324	2.1
56.30112	2.0
57.03461	2.4
57.58669	1.9
65.00313	2.8
71.27077	3.5
77.03958	3.4
80.02676	5.6
81.03467	15.0
90.98633	2.2
92.99809	17.8
93.03447	5.7
95.01411	2.5
97.06594	10.6
102.83395	2.1
108.02241	3.5
109.02937	2.9
109.06607	35.5
119.05043	2.8
119.43268	2.0
121.02968	100.0
122.06109	3.8
135.00969	2.3
136.01666	3.2
136.05255	5.5
137.02463	4.0
149.00961	5.8
149.09650	2.8
150.03210	5.3
163.11241	2.4
164.83627	52.7
165.01971	12.8
165.04193	2.8
165.05577	5.4
165.09244	2.9
165.12865	87.5
166.01485	6.2
166.05090	5.1
166.13217	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	166.051
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
57.43092	0.5
61.50225	0.4
66.03492	0.6
69.10500	0.9
69.10911	3.2
72.08704	0.4
73.70922	0.4
76.90688	0.4
92.05061	0.6
92.99834	0.5
93.03490	1.0
94.03009	0.8
95.01403	0.9
98.22359	1.7
105.02218	0.5
108.02187	2.6
118.02979	0.5
120.04543	0.6
121.02966	1.8
121.05355	2.8
122.02486	0.5
122.03198	0.8
122.06207	1.0
123.00956	0.7
123.04523	1.0
124.98425	2.1
135.04549	1.3
136.01688	1.3
136.05319	25.3
137.05663	1.0
138.01950	0.5
148.04071	0.6
151.00371	0.7
152.01184	2.9
166.01447	3.1
166.05110	100.0
166.83395	0.7
166.99677	0.8
167.03578	1.3
167.05450	5.0
167.06898	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	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
62.80105	0.4
69.04321	4.3
83.01381	0.5
89.53052	0.4
93.03449	1.3
95.01408	1.2
98.22359	1.9
102.58932	0.5
107.56851	0.5
108.02189	2.0
121.02961	13.6
122.03322	2.8
122.06117	1.1
123.00904	0.8
123.04536	1.4
124.98449	2.4
136.01677	1.5
136.05309	11.9
138.02025	0.6
151.02763	21.6
152.01231	2.7
152.03058	0.9
153.04063	0.4
164.98309	0.5
166.01448	3.7
166.05110	100.0
166.83327	0.9
167.03581	1.5
167.05444	4.5
183.01740	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	167.0352
Annotation	4-Hydroxy-2-methoxybenzoic acid
Peak:m/z	Relative Intensity
55.85472	1.1
59.85863	1.0
67.01889	1.1
67.52542	0.9
68.99839	1.2
69.03472	1.5
69.14700	7.7
71.05018	1.4
74.80630	0.8
78.95905	1.0
80.02700	1.7
81.03466	11.1
83.01385	2.9
91.01906	1.1
93.03480	5.4
95.01401	20.0
95.05045	5.8
96.96031	1.6
97.02953	3.9
99.04542	7.9
108.02192	48.5
108.04613	1.2
109.02989	2.4
121.02962	4.2
122.03785	2.8
123.00911	14.8
123.04543	42.8
124.01684	5.6
124.04880	1.9
124.98463	1.3
125.02466	3.0
126.01972	1.6
137.02464	1.9
139.04030	9.7
149.02472	2.2
149.99623	1.2
150.05666	1.4
152.01175	100.0
153.00507	5.6
153.01642	3.4
166.99832	1.6
167.03516	44.4
168.03885	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	167.0352
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.77884	0.4
55.26925	0.3
61.10498	0.4
65.00327	1.1
69.28275	0.4
69.93710	1.6
70.32504	0.4
80.02681	1.9
91.01904	5.9
95.01417	0.7
96.49652	0.5
107.83169	0.4
108.02188	63.4
109.02528	1.8
111.00899	0.7
123.00954	0.5
123.04546	20.4
124.01685	1.0
124.04862	0.8
132.61156	0.4
138.35025	0.4
139.04034	0.5
152.01169	100.0
153.01523	3.7
167.03520	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
57.03455	1.6
59.01383	3.1
63.02424	0.3
65.00330	2.2
67.01898	0.7
69.03480	0.3
81.03465	20.7
82.03802	0.6
83.01392	9.2
93.03478	0.3
95.05039	2.1
98.22364	2.1
99.04527	0.6
107.01389	2.0
108.02201	1.2
108.04572	0.6
113.16125	0.3
123.04539	100.0
124.04845	4.0
124.07669	0.8
125.02458	7.6
149.02412	0.6
151.00375	4.7
152.01160	1.4
153.00726	0.5
167.03513	69.3
168.03871	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	168.0065
Annotation	3,4,5-Trihydroxybenzoate
Peak:m/z	Relative Intensity
63.31200	0.7
67.01912	1.1
69.03458	5.0
71.01387	1.9
71.26825	1.1
71.27209	1.7
72.99306	0.8
78.95905	2.1
79.01905	1.0
83.01379	1.0
83.43703	0.8
95.01389	8.8
96.04634	1.1
96.99312	1.1
97.02965	3.1
107.01408	4.9
107.05036	1.7
108.04565	1.4
111.00886	7.4
123.00897	30.7
124.01682	100.0
124.07708	1.0
125.02472	74.8
125.06107	2.0
126.01979	1.3
131.74905	0.9
139.00378	17.3
140.01160	3.8
151.00331	1.7
153.00627	11.4
155.16093	0.9
168.00659	35.2
168.03038	2.5
168.06644	1.6
169.01456	25.6
169.03778	1.2
169.05113	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	168.0303
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
56.34843	0.7
63.68696	0.8
65.11271	0.7
65.99844	1.1
68.99801	1.3
69.03465	2.0
78.61794	0.8
87.82290	0.9
94.02987	4.1
95.01387	7.2
97.02958	1.6
98.22540	3.6
101.06071	2.4
109.02964	2.6
123.00901	22.0
123.18901	0.7
124.04079	0.8
125.02453	23.8
125.09707	2.4
137.02460	15.1
138.02119	1.5
138.03241	37.8
139.03581	1.9
148.52507	0.8
150.02016	2.1
151.02750	1.6
153.00691	100.0
154.01076	4.2
168.03032	90.5
169.01437	6.8
169.03380	5.0
169.04701	0.8
169.12360	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	168.0304
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
63.87805	0.3
65.03947	0.4
65.99849	1.5
66.71373	0.3
69.03466	0.3
69.10886	1.8
69.11289	0.7
96.04589	0.3
97.02921	0.4
107.05026	0.4
109.02969	1.0
121.02953	0.6
123.00879	0.7
124.01652	0.6
125.02465	6.4
125.09765	0.4
137.02463	11.1
138.03249	25.7
139.03572	1.0
145.17101	0.3
150.01933	0.3
153.00661	2.8
153.01712	0.3
167.87137	0.4
168.03036	100.0
169.01595	1.5
169.03387	4.4
174.25452	0.3
187.90111	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	168.0668
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.98894	0.5
54.39880	0.6
65.00336	0.7
67.01890	1.1
67.04712	0.5
67.39973	0.6
69.03471	5.0
70.07217	1.1
70.07597	1.3
72.00921	0.8
73.17025	0.6
78.95921	1.2
79.01904	2.1
81.03458	2.6
83.01401	0.7
92.05058	1.6
94.06592	0.6
95.01388	1.8
96.04559	0.6
96.96014	1.2
97.02966	4.6
107.01416	2.5
107.03792	4.0
107.05047	1.0
108.04576	17.0
110.06124	2.6
120.04552	1.1
121.05364	8.3
122.02503	1.6
122.06142	48.2
123.00910	1.4
123.03333	0.6
123.04519	1.4
123.06474	2.4
124.01644	1.7
125.02464	100.0
125.09779	1.1
126.98893	1.8
135.03314	3.5
136.04028	1.4
138.05638	17.2
148.04053	1.1
150.05624	60.8
151.00369	1.6
151.05977	2.1
153.00694	2.2
153.01762	0.8
153.04306	1.7
166.05118	16.5
167.05481	1.1
168.03026	1.5
168.06662	11.4
168.07875	1.9
169.01442	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	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76595	1.3
58.02981	100.0
59.03307	1.3
69.03459	3.2
69.51041	6.4
85.46288	1.2
95.01411	1.3
96.04569	1.3
97.02982	2.9
107.05048	1.4
108.02134	1.5
108.04548	1.7
117.82155	1.5
123.00899	5.3
125.02460	39.9
125.09735	2.0
125.98640	1.5
126.02013	1.7
132.86827	3.6
141.02103	2.6
147.31296	1.2
153.00687	25.1
154.00970	1.3
167.87106	6.2
167.99513	1.2
168.03069	6.0
168.06622	2.5
168.13748	6.9
169.01425	12.9
169.04991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70674	0.5
59.01377	0.4
63.10607	0.4
67.01900	1.0
69.03461	5.5
69.76627	0.7
69.76978	1.9
73.07307	0.4
79.01914	1.1
81.03474	1.9
83.01383	1.1
95.01411	1.2
97.02955	4.4
107.01416	5.9
107.05034	1.2
113.58573	0.4
123.00932	0.9
124.01679	1.5
125.02461	100.0
125.09696	0.7
126.02805	4.2
140.86543	0.5
151.00410	1.3
157.72194	0.5
169.01445	27.1
169.08731	0.7
170.01881	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	169.0141
Annotation	Gallate
Peak:m/z	Relative Intensity
67.96606	0.7
69.03464	6.8
69.55580	3.9
69.83736	0.7
79.01915	1.0
81.03455	2.4
95.01404	1.6
97.02956	4.8
105.40163	0.7
107.01353	0.7
107.05048	1.4
115.26350	0.8
124.01676	1.8
125.02460	100.0
126.02796	4.4
130.14342	0.7
136.68752	0.8
151.00385	0.8
169.01443	26.1
169.07709	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	169.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44584	0.6
56.61342	0.6
69.03468	4.6
76.61971	0.5
79.01902	1.3
81.03483	1.6
95.01393	1.0
97.02970	4.2
107.01450	1.0
120.67247	0.5
123.00887	0.7
124.01713	1.8
125.02465	100.0
126.02785	4.7
129.27094	0.5
141.77699	0.6
169.01450	27.6
170.01775	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	169.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73455	0.7
59.17236	0.8
67.01902	1.1
69.03466	16.5
70.88632	2.3
71.01385	1.0
74.84975	0.7
79.01891	2.6
79.20660	0.9
81.03466	3.0
82.95348	0.8
83.01398	4.1
95.01409	5.9
97.02965	13.0
107.01406	7.7
107.05035	3.3
123.00905	3.9
123.08181	0.9
124.01687	3.6
124.03478	0.8
125.02466	100.0
125.06114	2.0
125.09780	5.1
126.01138	0.9
126.02790	4.3
134.76163	0.8
151.00394	25.6
152.00723	1.2
169.01448	61.9
169.08765	2.3
170.01785	3.6
178.95934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33022	0.2
67.01895	1.1
69.03461	5.9
70.03790	0.3
70.32865	0.8
78.95908	0.4
79.01901	1.8
80.45551	0.2
80.65017	0.2
81.03467	2.1
83.01395	0.4
84.30214	0.2
95.01389	1.0
97.02959	4.0
98.02465	0.2
107.01398	1.3
111.53374	0.2
123.00917	0.5
124.01659	1.6
125.02455	100.0
126.02795	3.7
133.81152	0.3
169.01437	24.6
170.01808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
65.32604	0.8
68.95594	0.9
69.03455	2.2
69.14857	5.8
70.24641	0.8
79.01907	1.7
88.62076	0.9
97.02962	2.4
98.22469	2.0
107.01403	73.7
108.01743	2.5
123.00905	1.4
124.01689	1.2
125.02460	100.0
126.02811	4.0
126.03670	0.8
139.00308	1.0
154.00912	1.1
169.01453	24.6
183.80664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
57.26565	0.3
67.01903	1.1
68.55527	0.3
68.70711	0.4
69.03464	5.5
69.39410	1.8
69.39814	0.7
73.33011	0.3
79.01905	2.3
81.03472	2.4
83.01392	0.5
87.30359	0.3
95.01411	1.3
97.02957	4.2
107.01408	1.2
107.61314	0.4
116.14048	0.3
123.00909	0.8
124.01681	1.5
125.02462	100.0
126.02805	3.1
129.25258	0.3
147.44360	0.4
169.01445	27.9
170.01770	1.1
174.76360	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	169.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15016	0.4
67.01888	0.6
69.03464	4.9
69.22601	2.8
79.01912	1.6
81.03472	1.4
83.01389	0.6
95.01405	1.3
97.02976	3.6
105.69154	0.4
107.01398	5.0
123.00905	0.6
124.01735	1.5
125.02467	100.0
126.02812	4.4
145.69353	0.4
169.01456	24.7
170.01799	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	170.9787
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99880	2.1
59.01383	100.0
60.99302	1.0
70.16797	2.5
71.01372	2.3
72.99310	8.7
73.98587	2.9
74.99384	17.8
75.99462	0.8
77.74869	0.9
78.95910	52.6
88.98808	5.3
96.96022	1.1
96.96952	3.5
109.02950	1.4
117.00455	96.5
118.00530	6.9
126.98926	2.0
128.96809	2.9
158.71056	0.8
170.97865	38.1
171.00662	3.4
171.98059	2.6
187.67560	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	171.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	4.9
59.01381	2.5
59.46564	2.4
63.61110	2.1
65.00348	2.4
69.40804	13.0
81.03468	5.9
81.05956	2.3
83.05038	5.1
84.43145	2.1
95.05048	19.9
98.22005	6.1
99.04550	6.3
111.08160	4.3
125.09744	3.7
127.07664	17.6
139.04028	100.0
140.04381	3.7
140.93953	4.7
153.09171	2.7
171.02007	27.3
171.04405	4.2
171.06770	3.9
171.10315	22.5
171.13947	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	171.1029
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
57.03455	4.3
58.02977	0.4
58.79251	0.4
59.01374	1.6
68.19801	0.4
69.03456	1.5
71.05011	0.4
71.26882	0.7
83.05025	0.7
99.92589	0.5
109.02934	0.5
109.06609	5.2
111.08170	44.5
112.08511	2.1
125.09737	43.4
126.10081	1.5
127.07658	4.2
127.11320	2.0
130.08788	0.6
140.89932	0.4
144.04593	0.9
153.09186	0.5
154.82994	0.4
169.08691	0.6
170.83328	0.5
171.02010	3.5
171.10289	100.0
172.04027	0.4
172.10641	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	172.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86682	0.4
53.25325	0.5
58.02987	2.4
67.01881	0.8
69.51305	2.4
71.01401	0.6
73.02945	1.9
81.03472	0.4
83.05026	0.6
84.26496	0.4
85.02969	0.7
85.39772	0.4
93.03466	6.0
99.00903	0.6
99.04553	0.5
111.00878	0.6
111.04535	1.1
116.05081	0.8
128.10840	5.7
130.08754	100.0
131.08272	4.0
131.09120	2.6
137.02440	0.8
144.04591	2.1
172.09810	12.9
173.10208	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	172.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53131	0.3
56.11200	0.4
58.02975	2.1
67.01897	0.4
71.01357	0.3
71.27319	0.4
71.27665	0.3
73.02951	2.2
81.03497	0.4
83.05004	0.8
84.95335	0.3
85.02988	0.4
93.03459	4.6
99.00916	0.5
99.04546	0.6
111.00906	0.7
111.04515	1.1
124.04078	0.8
128.10831	7.1
130.08749	100.0
131.09105	3.2
137.02460	0.9
143.67468	0.3
144.04529	0.4
153.79099	0.3
172.04211	0.4
172.08308	0.7
172.09813	13.3
173.10143	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	172.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48430	0.3
58.02975	1.2
69.75532	1.3
71.01405	0.4
73.02961	0.5
82.06639	0.6
84.32417	0.3
93.03471	1.1
99.04633	0.3
111.00092	0.3
125.96954	0.3
128.10832	2.5
130.08752	100.0
131.08266	0.9
131.09111	3.5
147.81647	0.4
172.09813	9.1
179.46449	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	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.02964	1.5
66.91055	0.3
67.01876	0.3
69.17704	1.0
69.18126	1.4
71.99742	0.3
73.02938	1.9
80.03240	0.3
82.06621	0.4
82.13896	0.3
83.05034	1.0
85.02963	0.5
93.03487	4.2
99.04545	0.4
107.67982	0.3
111.00900	0.5
111.03809	0.3
111.04501	1.4
111.08185	0.8
115.57040	0.3
126.78151	0.3
128.05083	0.7
128.08047	0.3
128.10837	2.2
129.01947	0.4
130.08752	100.0
131.09103	3.5
137.02454	0.8
140.44217	0.3
144.53610	0.3
165.40884	0.3
172.04076	0.4
172.09807	11.0
173.08197	0.3
173.10077	0.6
177.06064	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	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
52.30026	0.2
53.35336	0.3
55.01869	0.4
57.03181	0.4
57.03451	5.7
58.00589	0.2
59.01386	0.5
65.03971	0.6
67.01894	9.6
68.02225	0.3
70.68689	0.5
71.01392	1.5
72.99313	1.2
73.02945	4.8
81.03456	0.8
83.01382	1.1
83.05029	2.2
85.02958	16.9
86.03281	0.3
93.03468	10.7
94.03817	0.4
99.00898	1.7
99.04532	1.2
101.02422	0.3
111.00890	100.0
111.04503	2.9
112.01230	3.0
112.98829	0.4
124.98783	0.5
129.01959	1.9
137.02441	2.0
142.99860	1.1
143.03520	0.3
154.99866	1.7
155.03487	0.6
173.00894	0.8
173.04553	0.5
181.79350	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	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.4
58.02987	0.3
59.01367	0.2
67.01896	10.8
70.43836	0.7
70.44164	0.2
71.01389	2.2
72.99322	0.4
73.02956	2.3
81.03481	0.3
83.01386	0.6
83.05036	1.2
85.02959	13.4
85.06583	0.3
86.03301	0.4
87.00877	0.4
88.04050	0.3
90.26767	0.2
93.03473	5.2
96.71723	0.2
99.00865	1.2
99.04527	0.4
101.02473	0.3
111.00890	100.0
111.04478	1.7
111.47932	0.2
112.01231	2.9
112.98812	0.4
124.98842	0.9
125.16468	0.2
129.01949	1.9
129.05600	0.9
131.05475	0.3
131.08305	1.6
137.02460	1.0
142.99892	1.7
154.99879	0.5
155.03488	0.4
173.00941	0.3
173.04622	0.6
173.06503	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	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01877	6.6
57.03453	61.6
67.01900	5.7
71.01381	12.3
71.25522	5.9
72.08111	3.4
73.02950	41.1
81.03445	7.4
83.01405	5.2
83.05009	17.9
85.02955	28.5
85.79559	3.5
93.03462	100.0
99.00916	5.1
99.04543	14.2
101.02473	5.2
111.00885	9.6
111.04534	30.6
113.64854	4.6
129.01077	7.8
129.01947	65.5
137.02472	16.9
155.03516	5.1
173.04643	8.0
173.08234	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	173.0093
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00310	1.7
55.01888	7.2
57.03431	6.6
57.57923	1.2
58.00591	3.5
59.01387	7.3
65.03954	3.7
67.01876	4.2
68.99815	2.9
69.03448	2.6
70.82947	1.9
70.83276	2.0
71.01388	92.0
71.05027	2.4
72.01711	2.7
72.99309	5.8
73.02950	58.4
80.99800	2.2
81.03456	7.4
83.01398	7.7
83.05029	21.6
84.05343	1.5
85.02964	14.3
87.00883	4.0
93.03465	100.0
94.03782	2.3
96.99318	3.8
97.13292	1.2
99.00896	39.5
99.04515	14.4
100.01247	1.4
101.02458	2.9
109.02950	2.6
111.00893	55.3
111.04527	29.5
112.01249	2.2
112.98821	31.8
115.00375	2.8
124.98814	25.3
125.42309	1.2
129.01950	5.5
137.02452	19.3
142.99872	61.8
143.03505	3.9
144.00192	2.1
154.99896	4.6
155.03534	6.7
163.10738	1.3
173.00879	9.3
173.04581	10.7
174.31071	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	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03462	30.6
58.00607	2.9
59.01372	2.6
66.03503	2.2
67.01891	6.3
69.03446	2.8
71.01375	8.8
71.25306	3.1
72.99313	1.9
73.02953	39.2
78.58698	1.8
81.03468	4.5
83.01385	2.9
83.05040	15.2
85.02957	22.9
93.03473	100.0
94.03765	2.2
97.06598	2.1
99.00903	9.2
99.04522	11.8
103.34323	2.1
111.00866	4.2
111.04532	24.6
111.08181	5.0
111.46218	2.0
127.77358	2.0
129.01958	34.9
137.02464	17.6
143.03488	2.2
155.03523	8.0
158.03787	2.1
173.04553	8.6
173.06021	4.9
173.08224	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	173.0093
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
51.84912	2.9
52.79982	3.1
55.01865	4.2
57.03453	59.6
67.01880	4.3
70.68087	10.6
71.01389	8.1
73.02958	34.5
76.96041	3.1
79.29404	2.9
79.81293	3.6
81.03468	5.8
82.45567	3.5
83.01406	6.1
83.05042	12.9
85.02975	24.1
93.03471	100.0
99.00902	11.2
99.04534	16.5
101.02473	5.7
111.00912	6.4
111.04544	25.8
129.01967	51.5
137.02443	13.3
155.03560	6.4
173.04582	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	173.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.0
55.01881	6.5
57.03461	4.9
58.00595	1.8
59.01377	3.9
65.03967	3.2
66.56799	0.8
67.01897	5.3
68.99825	1.5
69.03451	2.6
69.51984	4.4
69.52394	1.7
71.01389	48.3
71.05030	1.8
72.57222	0.9
72.99316	4.1
73.02952	51.5
74.03245	0.9
80.99807	1.0
81.03459	8.3
83.01409	6.6
83.05032	21.2
83.05513	1.7
85.02953	16.2
85.06570	1.0
87.00880	4.0
93.03465	100.0
94.03813	3.7
96.99343	1.4
99.00884	22.9
99.04534	13.7
100.01170	0.8
101.02457	2.3
109.02991	2.5
111.00892	41.2
111.04527	27.0
112.01242	1.1
112.39912	1.0
112.98824	17.7
115.00387	2.4
124.98814	11.6
127.89776	0.9
129.01973	4.9
129.05594	1.4
137.02454	20.0
140.98325	1.8
142.99875	30.8
143.03519	3.3
145.38054	0.9
154.99905	3.6
155.03514	7.1
173.01013	5.6
173.04546	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	173.0456
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01879	5.3
57.03442	3.1
58.00590	2.8
59.01368	2.7
65.03958	3.8
67.01887	3.2
69.03460	2.5
70.42442	2.1
70.42830	2.0
71.01389	33.3
71.05014	1.5
72.99310	2.4
73.02953	53.1
79.76163	1.1
81.03455	6.5
83.01393	3.0
83.05032	20.7
85.02969	12.9
93.03466	100.0
94.03774	2.4
96.99336	1.4
97.02983	1.2
99.00890	23.0
99.04529	13.9
101.02484	1.4
109.02951	1.8
111.00889	29.1
111.04528	31.2
112.98799	8.2
115.00344	1.1
124.98814	9.1
129.01988	5.1
137.01469	1.6
137.02463	22.0
142.99873	19.0
143.03554	1.2
154.99797	1.8
155.03493	6.8
173.00948	3.2
173.04582	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	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03451	7.2
58.00591	0.6
59.97109	0.3
65.03961	0.6
67.01897	11.0
68.02221	0.4
69.03458	0.7
69.17285	0.6
69.17690	1.6
71.01384	2.4
72.99307	1.6
73.02953	9.9
81.03458	1.7
83.01419	1.4
83.05035	4.2
84.05386	0.3
85.02961	15.9
86.03272	0.4
87.00902	0.4
93.03467	20.9
94.03815	0.8
96.62130	0.3
99.00889	3.4
99.04536	2.7
101.02459	0.8
109.02992	0.4
111.00891	100.0
111.04520	5.8
111.49101	0.3
112.01221	3.3
112.98813	0.4
124.98828	0.3
129.01978	2.4
137.02473	4.0
142.99892	1.0
149.63702	0.3
154.99905	2.3
155.03539	1.1
173.00920	0.9
173.04552	1.0
178.96519	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	173.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88951	0.2
71.11730	0.4
79.81803	0.3
83.06148	0.3
83.61338	0.3
85.02972	0.3
93.03479	0.6
111.00877	1.4
112.08828	0.4
114.05609	1.4
131.08279	100.0
132.08643	3.3
156.06917	0.2
156.07820	2.3
173.10446	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	173.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04105	0.4
69.71143	1.1
70.66637	0.2
73.02944	0.4
75.85201	0.2
83.05018	0.2
83.06169	0.4
83.86488	0.2
85.07710	0.4
90.41081	0.2
93.03451	1.1
112.08815	0.5
113.07203	0.5
114.05626	1.4
131.08273	100.0
132.08656	2.9
137.57901	0.2
153.42563	0.2
156.07776	2.5
173.10455	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	173.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04107	0.5
66.04169	0.2
66.19766	0.3
70.66263	0.4
70.66582	0.3
71.01371	0.5
83.06182	0.4
85.07736	0.3
92.39820	0.3
93.03429	0.3
99.00911	0.4
106.25707	0.3
111.00890	0.9
113.07236	0.6
114.05637	1.3
124.98886	0.3
131.08281	100.0
132.08640	2.7
142.99872	0.6
156.07797	2.5
173.10468	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	173.1186
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.01871	1.4
57.03445	1.8
58.00593	0.9
59.01375	1.2
65.03954	1.5
67.01886	1.9
69.03452	2.1
70.52971	1.9
71.01385	3.7
71.05029	1.6
72.99297	1.7
73.02953	25.1
77.46327	0.7
81.03450	3.8
83.05035	11.4
84.02174	1.8
85.02970	5.6
93.03468	59.7
94.03801	2.1
99.00906	5.7
99.04528	7.9
109.02943	1.0
109.06605	1.9
111.00895	1.6
111.04535	15.0
111.08156	2.1
112.04853	1.0
127.07639	4.8
127.11308	13.7
129.01961	2.7
129.05598	1.0
129.09227	1.5
137.02461	10.5
143.03558	1.6
155.03487	3.8
155.10841	2.3
171.10315	1.2
173.04555	5.5
173.08412	4.5
173.11841	100.0
173.93648	0.8
174.12180	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	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
58.00609	1.1
58.35904	0.8
59.01383	32.1
69.03468	1.8
70.02979	2.1
70.48209	1.8
70.48544	0.7
70.86385	0.8
71.01389	39.1
72.01738	1.2
72.04550	1.3
72.99323	4.1
73.02936	3.5
76.83636	0.7
83.01391	2.6
83.53895	0.8
84.04558	6.6
85.02966	3.1
87.00885	100.0
88.01208	1.4
93.03452	0.8
93.86829	1.0
99.00851	1.4
112.98821	3.2
113.02437	1.1
114.05611	2.8
115.00385	95.4
116.00720	2.2
128.03557	19.2
128.04465	1.6
129.01981	1.0
157.01456	1.6
175.02498	20.7
175.06137	1.0
176.05659	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	175.0249
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
57.03456	2.0
58.00584	0.8
59.01387	30.5
60.53335	1.0
63.18831	0.9
63.60352	0.9
66.03508	0.8
69.81532	3.0
71.01392	33.3
72.01709	1.1
72.99310	3.9
73.02955	11.6
83.01385	1.5
84.14478	1.1
85.02973	2.3
85.06596	45.9
86.06939	1.1
87.00886	88.2
88.01196	1.1
96.99202	0.9
101.02454	100.0
102.02784	2.1
103.05367	0.8
106.41573	0.9
112.46246	0.9
112.98832	2.6
113.06099	21.5
114.06419	0.9
115.00387	88.9
116.00745	2.0
129.05629	2.8
131.07141	2.7
132.98270	1.6
147.04546	1.0
157.05045	2.3
175.02513	18.1
175.06134	31.4
176.03508	1.2
176.06448	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	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03469	1.5
58.00590	0.7
59.01381	29.5
67.01893	0.9
68.11597	0.7
68.66836	0.6
70.02977	1.2
70.93127	1.2
71.01387	39.2
71.61579	0.7
72.01722	1.2
72.04530	1.3
72.99303	4.1
73.02944	3.1
83.01382	2.7
84.04553	3.3
85.02950	3.0
87.00881	100.0
88.01231	2.6
108.02185	0.7
112.98814	2.5
113.02448	1.0
114.05621	1.6
115.00382	98.5
116.00726	2.4
125.10540	0.7
127.00405	0.8
128.03548	10.8
129.01909	1.0
157.01418	0.9
175.02484	18.2
175.06044	0.8
176.02890	1.2
176.05696	0.8
194.53160	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	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
50.75023	0.6
56.03632	0.7
57.03444	1.1
58.00587	1.2
58.57825	0.6
59.01385	26.3
65.88133	0.7
67.01884	0.8
69.03458	0.6
69.91974	1.8
71.01389	38.7
72.01709	0.9
72.99312	4.7
73.02946	3.7
83.01397	1.4
85.02961	2.7
87.00887	100.0
88.01226	1.3
92.45770	0.6
96.99288	0.7
99.00912	0.6
100.60057	0.6
101.02469	0.9
112.98843	2.4
113.02486	0.7
115.00388	94.3
116.00712	2.0
129.54745	0.6
135.67824	0.5
137.64009	0.6
147.04538	2.3
159.09082	0.6
175.02524	19.5
175.03987	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	175.025
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
50.84789	0.5
57.03448	0.9
58.00598	0.9
59.01384	23.3
67.01886	1.0
69.65601	0.9
69.65997	1.0
71.01389	37.5
72.01736	1.0
72.99323	4.4
73.02953	3.5
75.00865	0.6
83.01392	1.4
85.02952	3.0
87.00884	100.0
88.01206	2.0
98.22308	1.0
112.98838	3.0
113.02446	0.7
115.00385	90.1
115.87440	0.5
116.00709	1.9
127.00349	1.0
147.04536	0.7
160.01730	0.7
164.54922	0.5
175.02510	18.8
175.03905	1.1
175.09776	0.6
176.02869	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	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
52.45304	0.6
57.03451	0.8
58.00600	1.1
59.01383	32.0
60.01718	0.8
67.01890	1.3
69.06728	1.9
69.07130	3.9
71.01388	40.8
72.99317	4.2
73.02955	4.0
83.01403	1.0
85.02946	2.6
87.00883	100.0
88.01255	2.1
98.22575	1.5
101.02476	0.8
112.98836	2.4
115.00383	96.7
116.00701	1.8
130.04274	2.0
131.05049	3.0
132.98170	2.3
174.69986	0.6
175.02516	20.0
175.03941	1.5
175.06273	0.9
176.03577	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	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
52.14178	0.5
57.03465	0.6
59.01381	9.2
63.06726	0.4
70.61213	0.7
70.61539	0.8
71.01392	6.6
72.99306	0.7
73.02953	7.1
74.57619	0.4
85.02939	0.7
85.06595	40.2
86.06943	1.2
87.00883	22.4
101.02451	100.0
102.02782	1.5
102.05132	0.4
103.81690	0.4
112.98803	0.5
113.02483	0.5
113.06101	24.1
114.06418	0.5
114.54720	0.4
115.00385	18.7
129.05608	2.1
131.07140	1.8
132.57066	0.4
132.98227	0.5
157.05093	1.7
175.02516	4.3
175.06136	28.2
176.03543	1.3
176.06525	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	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
59.01394	0.7
65.16293	0.4
70.62460	0.7
85.06598	21.4
86.06919	0.5
87.00883	100.0
87.04514	6.2
88.01226	1.5
101.02467	0.6
113.06095	14.0
114.06430	0.8
122.40816	0.3
129.05585	1.2
131.07143	1.3
157.05109	1.3
175.06129	21.3
176.06448	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	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
54.90742	0.5
57.03448	0.6
59.01385	4.6
69.09077	5.3
71.05018	0.6
85.06595	44.2
86.06930	1.2
87.04522	2.2
92.76969	0.5
113.06098	41.1
114.06467	1.3
115.04021	100.0
116.02441	0.5
116.04345	3.1
127.06237	0.6
129.05621	1.3
131.07161	7.5
157.05083	9.4
175.06129	41.9
176.06471	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	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
52.58345	0.4
59.01367	2.3
70.97375	1.2
72.41833	0.4
85.06596	21.7
87.00883	100.0
87.04520	7.1
88.01225	1.3
98.22461	0.5
101.02457	1.4
113.06100	17.8
114.06420	0.8
115.04053	2.2
128.78163	0.5
129.05598	1.1
131.07164	2.0
157.05058	1.2
166.86980	0.4
175.06122	23.1
176.06425	1.0
177.36858	0.4
193.27370	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	176.0354
Annotation	Isalexin
Peak:m/z	Relative Intensity
59.01379	0.8
69.35979	2.2
71.01385	0.8
77.77865	0.3
90.03568	0.4
92.01429	0.4
92.05067	1.6
93.03454	1.0
105.02216	0.8
105.03446	2.1
117.03471	1.3
118.02977	0.8
119.03776	0.6
119.05041	4.2
120.04556	7.2
121.02944	1.8
128.03572	0.8
130.02945	0.5
132.04559	0.8
133.01778	1.0
133.02969	2.3
146.02505	0.8
147.03247	0.6
148.04057	14.1
149.04384	0.6
161.01216	4.8
162.03177	0.4
175.02765	6.6
176.03540	100.0
177.02104	2.6
177.03886	5.2
177.05569	1.7
177.09099	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	176.0565
Annotation	(4S,5R)-4,5,6-Trihydroxy-2-iminohexanoate
Peak:m/z	Relative Intensity
57.03456	1.5
58.02975	2.6
59.01390	5.6
60.99311	1.7
63.17972	0.5
69.55013	3.5
70.02986	9.3
71.01376	1.6
72.04557	7.4
73.02943	1.8
76.13997	0.6
77.03153	0.6
78.95915	6.9
84.04552	36.8
85.02978	1.0
85.04893	0.7
86.02486	2.9
87.00898	1.8
87.92548	0.9
88.01208	1.0
96.04572	2.5
100.04057	1.7
101.92454	0.9
103.92017	1.0
114.05614	15.1
116.00727	0.9
128.03554	100.0
129.03886	2.3
134.04628	1.5
141.32181	0.6
146.04619	2.0
158.92534	1.2
159.03023	1.0
175.94218	1.5
176.03481	1.1
176.05617	7.4
177.04108	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	176.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72186	0.6
57.03448	1.0
58.02980	3.0
59.01384	5.3
60.99293	1.5
61.98845	1.6
69.29102	3.7
70.02989	8.2
71.01372	1.2
72.04549	7.8
72.99304	1.7
73.02944	1.2
84.04558	36.4
85.02967	1.3
86.02489	3.0
87.00889	0.7
96.04571	2.4
97.02979	2.9
99.00888	0.7
99.03344	0.8
100.04062	1.3
102.05587	0.8
114.05618	13.6
115.04057	1.5
115.62571	0.7
121.97688	0.8
128.03557	100.0
128.21828	0.6
129.03888	3.1
134.04636	1.8
141.01978	0.7
146.04605	2.4
159.02971	1.9
164.07213	0.6
176.05652	10.0
177.04048	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	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
59.01377	0.3
60.94141	0.2
67.01880	0.3
68.95650	0.7
68.96069	1.7
68.99825	0.4
71.01411	0.5
77.03978	0.8
81.03462	2.5
89.03977	9.3
90.04265	0.3
93.03474	1.7
95.05056	1.3
105.03475	14.8
106.04272	0.6
107.01402	0.6
109.02955	0.6
111.00889	0.3
117.03484	1.3
119.05035	4.6
121.02971	2.8
123.04557	0.3
132.02194	0.2
133.02972	33.2
134.03789	6.5
137.02458	2.1
139.04057	1.5
149.02461	4.8
162.03235	0.8
169.42703	0.2
177.01947	100.0
178.02315	5.2
188.02141	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	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67496	0.3
69.80199	0.3
71.39622	0.3
77.03968	1.1
81.03464	2.9
89.03977	9.5
90.04312	0.6
93.03488	1.7
95.05021	1.5
97.03998	0.3
105.03472	14.6
106.03783	0.5
107.01405	0.9
109.02963	0.7
110.89401	0.3
121.02952	1.3
133.02972	29.0
134.03299	1.2
139.04051	0.7
149.02448	4.6
158.69707	0.3
177.01949	100.0
178.02295	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	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
50.76754	0.3
67.42870	0.2
69.46675	1.4
72.39615	0.3
77.03956	1.0
81.03465	2.4
89.03980	9.1
90.04301	0.4
93.03444	1.5
95.05052	1.4
105.03473	16.6
106.03821	0.4
107.01404	0.7
109.02999	0.4
121.02968	1.3
123.04505	0.3
131.01399	0.3
133.02974	30.2
134.03293	1.6
139.04015	0.9
149.02452	4.0
149.06090	0.3
177.01944	100.0
178.02269	4.9
180.72858	0.3
184.30800	0.3
194.72624	0.3
196.28294	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	177.0194
Annotation	Esculetin
Peak:m/z	Relative Intensity
63.02402	2.9
64.00698	0.2
65.00326	2.2
65.03966	0.2
66.73454	0.2
67.01904	1.5
68.99823	0.6
69.69698	1.0
72.35571	0.2
77.03957	0.4
83.40788	0.2
87.19042	0.2
89.00362	0.9
89.03979	3.9
91.01903	4.3
92.55894	0.2
94.55910	0.2
95.05027	0.8
105.03476	1.8
107.01405	2.3
109.02973	2.8
111.00886	0.3
121.02951	1.2
123.04543	0.9
132.02170	0.3
133.02972	7.2
134.03342	0.3
135.00909	3.0
147.00887	0.3
149.02496	1.3
162.03204	0.3
177.01949	100.0
178.02299	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	177.0558
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
71.01400	0.7
78.13164	0.7
81.03455	2.0
87.57728	0.6
89.03979	10.4
93.03477	2.0
105.03469	14.6
107.01442	0.9
108.02185	1.5
109.02946	1.1
117.03472	14.9
119.05039	50.0
120.05383	2.6
121.02970	13.7
123.04520	1.3
128.91075	0.6
131.04965	0.8
133.02971	41.5
133.06558	3.4
134.03795	7.2
137.02455	2.5
139.04039	1.4
149.02423	4.8
161.84637	0.9
162.03226	3.0
177.01945	100.0
177.05518	19.9
178.02325	6.1
188.78232	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	177.0559
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.14705	0.3
64.66071	0.2
69.15794	0.9
69.16216	1.1
77.04016	0.3
92.24895	0.2
93.03496	0.5
104.17678	0.2
106.04285	0.9
117.03559	0.3
120.02229	0.9
121.02984	0.7
123.04569	0.6
133.02943	1.3
134.03763	5.2
149.02469	0.8
161.02454	1.7
162.03242	100.0
162.38327	0.2
163.03554	4.5
173.14096	0.3
177.01939	2.4
177.04070	0.5
177.05571	8.9
177.09183	0.2
178.02530	0.3
199.27310	0.3
199.91249	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	177.0559
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
56.11164	0.3
59.01369	0.4
69.15363	3.0
93.03468	0.7
95.01421	0.5
95.05006	0.4
105.03442	0.7
117.03477	45.4
118.03753	1.0
118.04257	2.0
121.02965	26.7
122.03303	0.7
123.04534	8.8
127.05714	0.3
132.02214	0.3
133.02965	6.3
133.06575	0.4
134.03757	2.9
145.02965	63.4
146.03313	3.4
147.04486	0.7
149.02464	1.0
162.03241	11.1
169.38777	0.3
177.05579	100.0
178.05931	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	178.0272
Annotation	p-hydroxyphenylpyruvate
Peak:m/z	Relative Intensity
69.75474	2.1
69.75886	1.2
70.49146	0.7
93.03478	1.8
98.22629	0.7
106.04260	8.6
107.05047	1.1
111.00905	2.6
121.02979	3.5
130.55536	0.7
132.49562	0.8
133.02974	69.6
134.03767	100.0
135.04552	76.6
137.02457	27.6
138.02789	1.1
139.04016	9.6
142.26968	0.7
144.30782	0.8
149.02463	2.0
150.03271	3.2
151.00368	0.7
178.02721	11.2
179.03516	12.1
181.48352	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	178.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	100.0
59.01387	1.2
59.03320	0.9
67.00846	0.6
68.98405	3.7
68.98835	3.4
69.03462	0.9
71.01395	1.7
74.15212	0.7
83.01409	1.5
87.00886	4.1
93.03499	1.4
95.05022	1.4
99.00906	0.8
99.70747	0.7
106.04252	7.9
106.60959	0.6
107.01374	1.2
107.05061	2.3
108.02188	2.6
108.04640	0.7
109.02998	0.8
117.01973	0.8
119.05048	1.8
123.08239	0.7
134.03754	1.9
134.06105	3.6
135.04544	15.2
136.07707	0.9
138.03279	0.9
149.09735	4.2
151.00406	1.2
161.04552	1.6
161.09734	1.7
164.04921	0.8
178.05217	2.1
178.08743	85.4
178.99908	1.5
179.03511	2.2
179.05612	2.7
179.09109	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	178.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
63.02406	61.0
64.02727	1.6
65.00333	24.0
70.61501	1.9
71.01377	2.8
73.02943	1.4
83.01397	27.1
85.02962	2.3
87.00892	7.8
93.71024	0.9
94.02981	0.9
99.00883	2.0
105.34914	0.8
107.01405	58.3
108.01730	1.8
117.02007	1.1
121.02963	1.7
125.02420	1.2
135.04561	7.7
136.01646	1.4
136.05157	0.9
150.94727	1.0
151.00389	100.0
151.07669	1.2
152.00734	3.7
161.04576	3.6
164.01157	1.8
164.04825	5.7
169.01453	34.8
170.01836	1.3
171.44060	0.8
178.99876	55.4
179.03365	1.9
179.05586	3.7
179.07161	2.3
180.00230	2.4
180.03020	1.0
180.06656	1.0
189.13289	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	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01368	1.4
69.69810	3.3
71.01378	1.7
73.02956	0.8
75.74992	0.7
83.01395	1.0
85.02950	1.8
87.00880	6.4
91.05544	11.0
95.01345	0.6
97.02972	0.6
99.00884	1.1
107.01494	0.7
108.02190	2.0
109.02935	0.9
110.75806	0.6
117.01965	0.8
125.02408	1.1
134.03761	1.8
135.04539	100.0
136.04929	3.7
136.49908	0.6
151.00323	1.1
151.07588	0.7
161.04558	2.7
178.99863	1.0
179.03528	9.5
179.05753	3.6
179.07057	1.2
180.06670	1.1
181.98010	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	179.0351
Annotation	Aspirin
Peak:m/z	Relative Intensity
50.71123	0.3
51.98827	0.3
53.54787	0.3
55.01894	0.4
58.00571	0.4
59.01384	7.9
69.51053	0.9
69.51481	1.3
71.01390	6.6
71.05025	0.6
72.01736	0.3
72.99310	3.1
73.02943	2.5
75.00878	29.2
76.01201	0.7
78.95918	0.6
81.03455	1.8
83.01396	0.8
85.02967	2.6
87.00885	7.7
89.02460	2.7
89.03984	0.6
90.98648	0.4
91.05561	0.8
97.02965	0.9
99.00900	2.9
99.04556	0.6
101.02450	1.1
103.92085	0.4
107.05040	2.4
108.02209	0.4
109.03001	0.4
113.02484	0.4
117.01933	0.7
117.03457	0.8
119.05061	0.5
122.89436	1.7
125.02463	1.0
129.78392	0.3
131.03537	0.7
134.03764	8.5
135.04539	100.0
136.04860	4.7
139.91267	0.3
141.01895	0.4
143.03500	3.3
161.00984	0.5
161.04553	4.7
163.03998	0.7
178.88416	1.8
179.02229	0.3
179.03525	11.7
179.05634	13.0
179.06931	0.5
180.03755	0.5
180.06760	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	179.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69473	0.2
55.03001	0.2
59.01366	0.6
69.36613	0.7
69.37023	0.6
71.01405	0.3
71.33522	0.2
87.00877	0.9
87.15686	0.2
89.03966	0.3
89.13720	0.2
91.05533	0.6
93.03489	0.2
98.21918	0.4
99.00890	0.4
106.04256	0.3
106.66690	0.2
107.05042	2.0
109.02956	0.2
117.01967	0.2
117.03481	0.7
126.68733	0.2
134.03761	6.8
135.04541	100.0
136.04863	4.4
161.04594	0.4
179.03534	13.6
180.03897	0.5
192.37729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05658	0.2
59.01368	0.3
62.35424	0.2
74.46512	0.2
85.02983	0.2
87.00894	0.5
91.05555	0.5
97.93093	0.2
101.48754	0.2
106.04264	0.5
107.05049	1.5
108.02183	0.4
109.03005	0.3
117.03491	0.7
134.03758	6.7
135.04539	100.0
136.03899	0.3
136.04874	4.2
167.20398	0.2
170.98534	0.2
179.03511	14.3
180.03802	0.5
181.01569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.04164	0.3
80.96520	0.3
87.00903	1.1
89.03983	0.5
89.52558	0.3
91.05573	0.4
93.03474	0.5
101.02445	0.3
106.04264	0.3
107.05044	1.9
117.03477	0.9
119.05042	0.5
134.03757	7.9
135.04535	100.0
136.04880	4.4
163.04012	0.4
164.01219	0.4
179.03506	12.6
179.05702	0.6
180.03865	0.7
180.06674	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	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01384	1.8
63.02420	4.4
64.56071	0.7
65.00330	1.8
70.51528	0.7
71.01383	3.1
71.25759	1.6
77.67030	0.7
83.01419	1.7
85.02970	1.6
87.00898	7.1
89.03982	2.2
91.05567	1.3
93.03478	1.3
95.01409	1.2
99.00908	2.2
99.92570	0.9
101.02464	1.1
107.01392	5.6
107.05045	5.2
108.02200	1.0
117.01945	1.3
117.03488	1.9
121.02990	1.5
122.89446	1.0
125.02461	1.1
134.02728	1.6
134.03757	24.4
134.16014	0.7
135.04541	100.0
136.04843	3.7
137.02478	1.3
141.86711	0.7
151.00352	6.0
151.04018	0.9
151.07689	1.2
155.13980	0.7
161.04596	4.2
164.01184	1.9
164.04865	1.0
169.01450	1.6
178.88454	1.1
178.98512	0.9
178.99773	4.1
179.03517	9.1
179.05725	4.7
179.07100	1.2
179.14958	0.8
180.02943	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	179.0563
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
54.29722	2.3
57.03434	4.5
58.00592	6.2
59.01384	93.5
60.99308	9.9
66.91874	3.7
69.03437	4.9
70.44443	7.6
70.44803	3.2
71.01386	88.8
71.05045	3.7
72.00931	6.6
72.99319	17.0
73.02944	8.6
75.00880	100.0
77.53068	2.5
78.95895	2.9
81.03465	7.4
83.01422	5.7
85.02966	34.1
85.40949	2.5
87.00888	50.5
88.98814	48.7
89.02450	40.1
90.98600	18.8
94.34145	2.8
95.01371	3.3
96.96967	3.8
97.02960	9.1
99.00904	16.5
101.02462	8.8
107.05074	3.4
109.02942	3.4
113.02480	7.6
117.01949	9.7
119.05063	10.5
120.08756	3.0
122.89436	3.9
125.02473	5.7
131.03551	9.1
134.03726	6.3
135.04544	71.4
136.04837	5.8
139.50560	2.7
141.01942	4.5
143.03529	15.7
161.04556	38.4
163.04037	7.7
164.01294	3.2
179.03554	8.5
179.05634	73.9
179.07071	5.1
180.06693	15.3
198.01015	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	179.0564
Annotation	Sorbose, L-
Peak:m/z	Relative Intensity
55.01882	1.0
57.03458	1.5
58.00602	6.9
59.01385	100.0
60.01715	1.1
69.03470	0.9
70.59087	1.4
71.01390	91.1
72.01726	0.9
72.99323	6.3
73.02948	2.4
75.00875	4.1
81.03460	1.2
83.01397	2.7
84.02171	0.5
85.02961	16.2
87.00883	4.2
89.02454	43.0
90.02796	0.8
95.01400	2.0
97.02949	2.7
99.00891	1.1
101.02453	6.4
104.03556	1.3
105.01951	0.7
113.02459	6.4
119.03545	0.9
122.89391	1.0
125.02458	0.9
131.03502	4.6
135.04512	1.0
146.86601	0.5
161.04562	10.1
178.88370	0.5
179.05630	11.2
180.05933	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	179.0563
Annotation	551-68-8
Peak:m/z	Relative Intensity
51.97002	6.1
53.96297	5.1
54.50842	5.9
59.01130	8.1
59.01387	100.0
63.02422	10.5
69.19741	43.9
71.01392	47.6
72.99306	5.7
73.98847	5.9
75.13482	7.1
76.21750	5.6
85.02968	11.8
87.00891	20.5
89.02456	25.7
99.00874	7.5
101.02454	11.5
107.01423	9.1
113.02483	6.0
126.06496	6.0
135.04532	16.9
151.00400	11.2
161.04619	10.8
178.99872	10.9
179.05740	13.0
180.03064	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	179.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71304	0.2
52.89155	0.2
53.65613	0.3
57.68378	0.2
59.01416	0.8
63.02403	1.1
65.00341	0.5
69.10938	0.5
69.11349	1.5
71.01425	0.7
73.03053	0.3
79.01909	0.4
81.80037	0.2
83.01440	0.5
85.03008	0.3
87.00887	1.5
89.02468	0.2
95.01403	0.3
98.21835	0.5
99.00932	0.3
107.01397	1.3
111.45704	0.3
111.46426	0.2
117.01991	0.3
121.02961	0.4
123.00936	0.6
123.04503	0.3
135.00920	0.2
135.04544	1.2
135.08202	0.9
136.05312	11.6
136.94032	0.2
137.05670	0.4
149.02484	0.3
151.00386	1.7
151.03975	0.3
160.93491	0.2
161.04585	0.6
164.04811	100.0
165.05127	5.1
169.01431	0.4
176.46819	0.2
178.44235	0.2
178.84270	0.2
178.99875	1.0
179.03738	0.4
179.05632	0.9
179.07143	10.4
180.07489	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	179.108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	12.9
62.40780	2.4
63.02402	70.0
65.00325	25.8
65.82191	2.4
71.01392	15.6
75.00871	2.9
78.49653	2.6
78.95898	3.3
83.01396	28.4
85.02957	10.3
87.00881	36.0
89.02441	6.2
95.01336	2.6
98.21687	3.7
99.00883	10.3
101.02432	5.5
105.29406	2.9
107.01400	62.8
117.01981	6.6
117.24705	3.0
121.02915	2.6
125.02417	5.5
128.04604	2.6
134.03694	3.3
135.00906	4.0
135.04552	34.2
135.08183	3.6
135.11829	14.5
151.00388	100.0
151.07712	3.7
152.00725	3.8
161.04550	14.5
164.01167	6.7
164.04861	2.9
169.01436	39.6
178.99870	66.8
179.01317	5.4
179.03522	9.7
179.05598	19.8
179.07083	5.1
179.10771	62.0
180.00241	3.6
180.02977	5.9
180.06744	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	180.0668
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.02016	1.3
56.82311	1.6
63.06334	1.2
67.16764	1.4
68.59892	1.3
71.25163	2.0
72.00920	45.2
73.56230	1.6
74.02470	4.5
78.52894	1.4
78.98622	1.6
86.64543	1.3
93.03467	31.0
105.31663	1.3
106.04261	3.1
107.05043	2.4
107.62746	1.5
108.78349	1.5
113.97375	1.9
119.05042	95.4
120.05379	4.1
134.06079	2.9
140.10881	1.4
145.25853	1.4
150.04230	1.6
162.05568	1.8
163.04025	100.0
164.04387	5.5
180.06680	94.0
181.07028	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	181.0509
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
59.01386	14.4
60.11396	0.4
62.91927	0.4
65.00318	1.6
70.85096	0.4
71.01384	1.8
72.99311	0.8
74.77844	0.5
79.95743	7.0
81.03454	0.6
82.96112	1.3
83.01425	0.5
85.02954	0.8
87.00902	0.7
89.02451	1.3
93.03468	2.0
95.01410	1.2
95.95251	2.7
96.04569	0.5
96.96035	9.8
97.03001	0.7
101.02451	1.5
108.02187	14.3
109.02989	3.3
119.05042	12.0
121.02971	100.0
122.03313	3.5
122.97585	2.2
123.00902	3.4
123.04527	1.5
125.02483	0.7
128.56404	0.5
133.02995	0.9
135.00914	0.5
137.02492	4.0
137.06107	1.2
138.05728	0.5
139.04037	0.8
150.97084	0.7
151.00356	2.8
151.04042	0.8
152.01183	5.6
153.01967	0.9
166.02721	4.1
166.99936	0.9
181.01477	1.8
181.05103	5.7
181.07144	1.4
181.08774	1.1
182.00595	1.7
182.04652	1.0
194.99706	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	181.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16135	0.3
59.01384	13.7
63.96236	0.6
65.00320	1.2
70.82635	0.7
71.01397	0.5
78.98586	1.0
79.95744	1.4
80.96508	0.7
89.02355	0.3
93.03503	0.5
96.26782	0.4
96.95985	1.6
101.02427	0.5
101.51171	0.3
108.02181	3.5
108.04587	0.3
109.02984	0.5
119.05033	13.5
120.04613	0.4
120.05386	0.8
121.02967	100.0
122.03310	3.8
122.97598	0.6
123.00877	0.5
137.02553	0.4
138.05696	0.5
151.00427	0.8
152.01172	1.2
164.04378	0.4
166.02722	0.8
181.01605	0.5
181.05051	2.8
181.06625	0.4
194.99718	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	181.0508
Annotation	Homovanillate
Peak:m/z	Relative Intensity
59.01384	14.0
62.67052	0.2
64.76727	0.3
65.00318	0.7
71.01377	0.7
79.95731	1.1
86.96091	0.3
88.75961	0.3
93.03455	0.8
94.25725	0.3
95.01385	0.3
95.95249	0.4
96.96030	2.1
98.22615	0.6
101.02454	0.4
108.02179	3.1
108.04564	3.8
109.02965	0.8
119.04175	0.4
119.05038	14.1
121.02966	100.0
122.03323	3.6
122.97599	0.5
123.00914	0.6
135.04567	0.5
135.69348	0.3
137.02452	0.6
138.05627	7.4
151.00421	0.9
152.01169	1.2
153.01932	0.3
166.02708	1.0
181.05069	3.0
182.00653	0.3
182.04466	1.6
194.99699	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	181.0509
Annotation	FLOPROPIONE
Peak:m/z	Relative Intensity
55.01865	0.4
57.03445	1.0
59.01385	2.1
65.00337	3.1
69.40810	2.1
71.01387	0.8
71.05031	1.9
73.02949	2.0
74.07060	0.3
74.62386	0.3
81.03459	16.0
83.01376	1.9
83.05037	0.5
84.96523	0.3
89.02469	0.4
89.59467	0.3
93.03477	0.9
95.05033	10.6
96.04574	0.4
97.02959	9.6
98.21758	0.6
101.02454	0.8
107.01393	1.5
107.05013	0.6
109.02987	0.4
109.06590	1.7
112.28781	0.4
113.06138	0.7
119.05044	0.5
121.02982	0.7
122.03759	3.3
123.00793	0.8
125.02460	7.6
136.98851	0.6
137.06094	100.0
138.06436	4.1
139.04005	1.0
151.00372	3.1
163.04051	1.4
166.02747	1.2
181.05078	79.4
181.92897	0.6
182.05452	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	181.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	27.9
58.89063	0.9
59.01369	1.0
60.61712	0.9
65.00321	1.7
65.43272	0.7
65.48893	0.7
69.03463	13.4
70.22997	2.6
71.01385	2.0
71.05025	3.3
80.02698	1.5
81.03469	11.3
83.05016	1.7
84.02174	1.1
85.06571	1.1
86.68723	0.8
93.03481	3.2
93.26629	0.8
95.01392	1.9
95.05032	27.1
96.02228	1.1
96.05376	1.2
97.02959	100.0
98.03763	21.9
99.04541	5.9
101.02445	1.5
105.07079	0.9
107.05006	1.3
109.03001	0.8
109.06634	1.2
111.04531	3.2
111.08154	1.8
113.06100	16.6
114.90613	0.9
123.00871	1.2
123.04519	1.5
123.08158	6.3
124.05307	1.6
125.06068	1.0
125.73798	0.8
136.98807	1.7
137.02448	1.0
137.09726	6.1
151.00433	2.1
151.04256	0.8
153.01958	1.1
163.11314	12.6
166.02690	1.9
166.10010	1.4
166.99849	0.8
181.08649	0.9
181.12386	9.4
181.51828	0.9
196.25592	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	181.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04222	6.1
54.26313	6.2
56.00067	5.6
56.17219	6.4
56.39960	6.3
58.29778	5.9
58.61042	6.4
59.01371	29.3
61.32535	6.0
61.98830	13.0
63.13598	5.8
65.00335	68.6
71.01394	35.6
73.02956	68.2
83.01394	9.1
89.02431	19.7
92.99830	7.2
93.03482	28.3
95.01392	9.9
96.96030	10.4
97.02946	9.9
101.02457	22.2
103.68369	7.5
109.02950	16.7
123.00928	36.7
136.98802	44.5
137.02461	15.3
137.06058	8.5
137.09740	12.6
151.00385	44.1
151.04041	8.0
152.04823	45.0
153.01979	11.5
163.06175	7.4
166.02682	50.1
166.99837	9.4
180.84233	12.7
180.85890	7.5
180.97878	9.9
181.01416	17.3
181.05038	16.2
181.07228	12.4
181.08765	23.6
181.12341	100.0
181.92973	29.9
182.04610	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.5
71.01377	1.7
71.79813	0.4
78.95908	2.1
79.95744	44.7
80.96519	1.5
81.95306	1.0
92.93230	0.5
93.99689	0.6
94.02992	0.8
94.98084	0.5
95.01395	1.4
95.95245	13.6
96.04583	0.5
96.96020	63.2
98.21785	1.6
98.95628	1.4
98.96464	0.6
108.02184	100.0
109.02456	3.7
114.01460	0.5
120.99612	0.6
121.02990	1.0
122.03275	1.8
122.97600	15.3
123.00880	1.9
124.01689	0.6
136.98839	0.5
138.01999	0.6
138.05635	1.1
150.97089	4.0
152.01169	48.3
153.01521	3.1
164.98535	1.6
166.99806	0.6
167.99324	0.6
168.00610	0.7
182.00604	6.7
182.50832	0.6
182.99773	0.7
183.02991	1.1
192.12523	0.5
194.99701	29.4
196.00005	1.2
196.99263	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	182.0222
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
65.55024	0.3
67.01887	2.7
68.99808	0.4
69.03445	0.3
72.99294	0.3
79.01891	1.0
83.01379	0.9
90.06458	0.3
95.01396	50.0
96.01712	1.5
97.02964	1.1
98.22603	0.8
107.01435	0.3
109.02970	1.3
111.00912	1.9
112.98809	0.5
123.00896	100.0
124.01186	2.7
126.50760	0.3
127.00385	1.7
136.04846	0.8
136.98801	1.2
137.02452	1.2
138.03226	0.6
138.05356	1.1
139.00380	3.1
140.01054	0.5
141.01910	0.7
153.02003	0.4
154.02687	0.7
166.99870	41.5
168.00375	1.7
181.01396	1.5
182.02225	10.9
182.04494	0.5
183.02980	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	182.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83422	0.2
64.30219	0.2
65.00323	0.3
66.33305	0.3
67.01906	2.4
69.03469	0.4
69.59586	0.4
69.60004	1.0
76.79115	0.2
79.01897	0.3
95.01397	54.4
95.83398	0.2
96.01746	1.5
97.02966	0.8
98.21789	0.3
108.02184	0.3
109.02986	1.5
111.00874	1.0
121.99684	0.2
122.50793	0.3
123.00900	100.0
124.01640	3.2
137.02444	1.1
138.03085	0.6
139.00403	0.8
139.04022	0.7
158.50073	0.2
162.97946	0.2
166.99875	40.9
168.00639	5.4
173.06367	0.3
181.01447	1.7
182.02238	9.6
182.04655	0.6
183.03030	1.9
183.10281	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	182.046
Annotation	3,5-Dihydroxy-phenylglycine
Peak:m/z	Relative Intensity
52.87633	0.2
57.95827	0.2
61.98844	0.3
65.99846	0.9
69.03455	0.3
79.05523	0.3
92.05109	0.2
95.01400	0.5
95.05031	0.2
109.02959	3.9
111.00932	0.3
123.00890	1.0
123.04543	0.5
124.01687	0.3
135.04581	0.5
137.02463	12.9
138.02873	0.4
151.04005	3.5
152.04807	15.0
153.05151	0.8
157.91791	0.3
167.00011	0.5
167.02234	6.4
167.99347	0.9
168.00624	0.5
168.02652	0.3
181.92992	2.3
182.04599	100.0
183.00523	0.4
183.03169	0.4
183.04938	4.4
183.13918	14.1
199.01219	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	182.0461
Annotation	3,5-Dihydroxy-phenylglycine
Peak:m/z	Relative Intensity
55.01877	0.6
58.02975	0.4
65.99835	0.9
66.03480	1.8
67.01882	0.8
68.01436	0.5
68.99813	0.9
90.03496	1.0
95.01390	1.3
96.96021	1.0
108.04581	5.4
109.02962	2.5
118.28290	0.4
123.00925	1.4
123.04543	4.0
134.02515	0.6
136.04071	1.4
137.02469	1.9
138.03284	0.5
139.00307	0.4
150.01942	1.0
151.04030	13.5
152.04808	43.9
153.05127	1.9
164.03558	1.4
166.99889	0.6
167.99414	0.7
181.92883	2.4
182.04597	100.0
183.00548	0.8
183.03200	0.8
183.04935	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	183.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10672	1.4
57.07747	1.3
58.34058	2.1
62.56416	1.5
65.00325	2.0
67.01910	1.8
71.26420	1.8
73.25114	1.5
83.17352	1.6
94.02961	1.6
95.01408	2.7
107.01405	30.0
111.00909	6.8
122.64622	1.7
123.00925	6.5
124.01687	99.6
125.01973	2.7
127.00391	1.7
135.05699	1.5
137.02449	2.7
138.03246	26.0
139.00412	9.3
139.04044	26.8
139.11343	2.0
140.01157	5.4
153.05612	5.4
167.99449	6.4
168.00659	100.0
168.04285	31.1
169.01042	3.9
170.02249	3.5
182.52328	1.6
183.00476	4.4
183.03021	39.0
183.04564	2.9
183.06595	8.8
183.10378	3.2
184.06100	1.9
194.44914	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	183.03
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
64.79781	0.6
84.12129	0.5
98.22636	0.7
107.01453	0.8
111.00880	3.8
123.00912	4.3
124.01672	100.0
125.01992	3.5
139.00400	6.8
139.04025	17.0
140.01167	1.6
141.35861	0.5
153.83585	0.6
168.00653	97.6
169.01010	4.2
172.57590	0.5
183.02998	30.2
184.03415	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	183.03
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
54.76075	0.4
65.00312	0.9
67.01875	0.7
68.99835	0.5
70.05907	1.0
70.06300	1.0
71.01395	0.9
72.99311	1.1
75.73412	0.5
78.01154	0.5
82.00597	0.8
83.01363	1.2
87.00822	0.5
87.83733	0.4
99.00913	0.6
110.00107	2.1
111.00890	7.8
122.99575	0.5
123.00860	1.4
124.01662	9.2
126.32932	0.5
127.00388	3.3
136.98817	5.1
139.00394	7.9
140.01169	13.7
154.99893	1.3
168.00661	15.4
169.01013	0.7
183.02998	100.0
184.03351	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	183.1028
Annotation	Crocusatin D
Peak:m/z	Relative Intensity
55.87454	1.7
65.13295	1.8
71.05030	5.2
82.22736	1.4
98.22512	6.2
107.08681	5.0
135.08119	3.5
139.11253	2.0
153.09224	100.0
154.09625	3.8
165.09244	5.1
166.09645	2.1
167.99411	2.7
168.00774	2.8
183.03030	3.3
183.10274	60.9
184.10626	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	183.1028
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
57.03455	12.0
59.01383	8.4
69.03455	15.1
69.05684	25.9
69.06111	23.0
83.05019	5.5
100.31955	5.3
102.32719	5.6
107.08688	13.4
111.00894	9.0
121.10300	6.3
123.00870	5.1
124.01693	26.5
136.98853	4.9
139.00362	11.8
139.02394	5.7
139.11311	25.6
140.01144	7.6
167.99329	18.4
168.00661	27.9
183.00536	6.2
183.03041	45.1
183.10277	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	183.1029
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
51.23996	5.4
56.36270	5.2
57.03450	9.4
67.01896	6.1
69.03453	13.6
69.15276	11.8
69.15681	39.4
71.05000	11.1
72.41647	5.3
83.05035	5.9
85.06608	20.2
91.83792	6.0
95.01435	8.2
97.02971	10.4
98.22652	5.4
111.00878	8.8
112.04079	7.5
122.02543	5.3
123.08244	7.1
124.01683	22.2
139.00337	8.4
139.11301	12.6
140.01160	12.4
153.09178	6.2
165.09196	12.6
167.99390	20.9
168.00668	30.5
177.33984	5.9
181.88007	5.8
183.00453	12.4
183.02989	100.0
183.10297	65.8
184.10637	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	183.1029
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
51.76389	4.0
52.24636	4.5
56.67432	4.0
57.03450	41.8
69.03465	100.0
69.09817	36.7
71.05032	31.0
77.49278	4.3
111.08176	30.8
113.06071	9.1
117.84343	4.5
123.08199	13.6
124.01633	5.7
139.11299	39.8
140.01129	8.5
167.99406	12.0
168.00639	16.3
182.60268	4.4
183.03041	44.1
183.10278	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1029
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
55.06015	0.8
57.03432	1.6
59.05690	1.0
61.98833	0.9
67.01885	1.3
69.03463	5.1
71.27554	1.5
72.87749	0.9
80.45068	0.9
83.05032	4.2
85.06583	9.1
86.77094	0.9
95.05032	2.4
97.06597	12.8
111.00934	4.7
111.08144	0.9
121.06599	1.4
122.02496	1.5
123.00875	1.0
123.08162	5.2
124.01665	3.1
127.00439	1.0
137.09750	1.7
139.00359	2.1
139.11302	100.0
140.01120	1.7
140.07256	1.2
140.11646	3.3
164.98341	1.1
165.09264	1.2
167.99446	6.3
168.00542	5.4
183.00499	2.8
183.03024	7.8
183.10287	4.4
183.13905	3.5
184.00943	1.2
184.06212	2.3
186.93025	1.0
197.89499	1.1
199.13231	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	183.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08254	0.2
57.03397	0.3
67.01876	0.2
69.03160	0.7
69.03568	1.8
111.00889	0.6
119.28778	0.2
123.00903	0.2
124.01690	0.6
137.51624	0.2
138.13564	0.3
139.00371	0.3
140.01117	0.3
150.78569	0.2
167.99374	1.1
168.00621	0.5
181.37804	0.2
183.00449	0.7
183.02997	1.1
183.13904	100.0
184.14256	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	183.1392
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
70.78149	1.9
74.97574	0.6
85.77860	0.7
88.27317	0.6
95.50966	0.6
111.00888	1.0
124.01678	1.6
138.02788	1.4
138.48778	0.6
139.00415	0.6
153.05171	1.3
167.99393	1.5
168.00623	0.9
168.02788	0.7
183.00502	0.9
183.03032	2.9
183.04938	10.0
183.13924	100.0
184.14261	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	28.3
69.55672	66.8
74.82628	9.8
78.16649	10.8
83.17300	10.7
98.22619	9.7
140.02072	52.6
141.99953	18.9
184.01010	100.0
185.01112	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	184.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40009	1.0
57.97550	4.1
66.03477	1.5
69.03465	2.3
70.61021	1.0
71.27386	2.5
75.92860	1.1
76.76286	1.0
78.95904	1.5
81.02180	2.5
82.02985	11.6
94.02975	2.1
95.01397	3.4
96.04568	9.0
96.96976	1.2
97.02950	1.8
98.02486	8.9
106.17123	1.0
110.02483	2.7
112.07710	4.1
122.06152	12.5
123.00871	4.1
128.92882	1.0
138.05641	11.5
140.07190	66.2
141.01987	2.5
141.07526	2.7
142.85837	1.1
184.06158	100.0
185.06534	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	185.0093
Annotation	3-Carboxy-cis,cis-muconate
Peak:m/z	Relative Intensity
58.02982	1.9
59.01363	3.7
61.56185	1.8
63.62080	2.2
67.01878	6.9
67.31158	2.3
69.03464	31.6
69.18345	4.8
69.18750	14.2
78.95915	5.3
85.02954	6.2
85.93019	3.9
87.00901	2.5
95.01398	88.8
96.01733	2.3
96.96985	4.9
97.02958	29.0
97.06593	5.0
98.22557	4.1
101.92828	6.9
102.90189	2.2
111.00882	3.5
112.04918	1.9
113.02466	6.1
123.00902	100.0
123.04540	3.8
125.02417	2.3
131.93907	3.0
134.72394	2.0
139.00366	8.1
141.01968	52.3
141.05611	4.6
141.09198	4.6
150.77045	2.4
166.99898	27.0
185.01079	5.7
185.11803	3.6
185.15491	4.1
186.07774	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	185.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18945	2.5
71.27442	5.3
74.66727	2.6
86.35455	2.4
97.06595	3.0
138.71022	2.7
139.11301	42.1
141.09227	6.5
185.11855	100.0
186.12189	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	185.1187
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.01881	0.4
57.03436	1.3
59.01374	0.7
60.35532	0.4
60.42919	0.4
69.03463	3.9
71.05019	1.9
71.25480	0.6
71.25892	0.6
73.02962	2.0
85.02934	0.5
87.00899	0.6
93.27571	0.4
97.06599	1.8
98.22257	0.7
99.08161	0.8
113.09737	9.7
114.10086	0.6
115.07651	4.3
125.09734	3.7
139.11259	0.6
141.09244	1.2
141.12856	1.1
142.13168	0.4
145.64700	0.4
155.10818	1.7
157.08694	0.7
165.36340	0.4
167.10797	1.5
185.01012	0.4
185.11855	100.0
186.05811	0.4
186.12192	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	185.1185
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03461	1.0
59.01382	3.1
59.34757	0.9
69.17744	2.7
69.18153	5.7
70.87652	0.9
73.02947	1.7
92.13219	1.2
98.22564	2.0
117.03455	1.2
130.65060	0.9
139.11301	2.9
141.09195	2.7
143.05008	1.1
149.09738	2.6
155.10794	33.3
155.12068	1.7
167.10788	29.9
167.33284	1.0
168.11151	1.7
179.03134	0.9
183.10263	1.5
185.11850	100.0
186.12183	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	185.1185
Annotation	Epomediol
Peak:m/z	Relative Intensity
51.68915	0.8
59.01387	42.1
60.01703	0.8
69.77936	2.4
69.78338	1.1
71.01381	3.8
71.05028	7.1
98.21910	1.2
98.22427	1.2
101.60794	0.8
111.08157	1.7
115.04025	100.0
116.04357	2.6
116.05157	0.8
118.68700	0.9
139.09761	0.9
139.11282	1.9
149.09737	1.2
167.10794	17.2
183.10217	3.1
185.11848	71.4
186.12183	3.1
187.77058	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	185.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18945	2.5
71.27442	5.3
74.66727	2.6
86.35455	2.4
97.06595	3.0
138.71022	2.7
139.11301	42.1
141.09227	6.5
185.11855	100.0
186.12189	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	186.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.2
58.02980	12.8
59.01388	1.2
66.03479	1.1
67.86599	0.9
71.05002	1.3
71.25426	1.1
72.99299	4.1
76.07733	1.0
84.04558	22.9
85.93010	1.1
88.04053	1.1
98.06123	2.9
99.04531	1.4
100.04053	8.3
101.92899	0.9
110.03426	0.7
114.09245	3.4
119.50788	0.9
124.04070	1.3
124.07681	4.8
125.02445	4.4
126.02004	1.9
126.69279	0.8
140.07214	3.3
142.05136	2.7
142.08742	9.1
144.06676	20.1
144.07735	1.6
168.06694	4.4
186.07730	100.0
187.08176	4.0
207.68924	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	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
53.70327	0.3
57.03450	3.7
69.03473	0.5
75.33813	0.3
80.02682	0.4
83.05012	0.3
84.59445	0.3
95.05024	0.8
96.35817	0.3
97.06597	12.0
98.06902	0.4
118.17934	0.3
122.21986	0.3
123.08177	6.5
124.08495	0.3
125.09739	100.0
126.10085	3.7
143.10796	2.0
150.00388	0.3
154.66747	0.3
169.08684	2.2
187.09782	36.3
188.10074	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	187.1342
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
57.03463	14.2
59.01382	4.9
60.60149	1.4
61.98825	6.0
68.99831	1.4
71.01366	2.1
71.05011	8.4
84.02158	6.1
90.97156	2.2
96.99280	1.6
97.06594	1.8
99.92596	2.1
103.48068	1.4
107.06523	1.4
113.09757	5.3
115.37204	1.4
125.09733	12.2
141.12875	100.0
141.86848	18.2
142.13200	4.7
143.07124	2.0
144.60988	1.9
151.10277	1.7
151.11276	10.0
159.87860	8.7
167.10851	2.6
169.12355	24.8
185.11864	10.3
186.85643	2.0
187.09792	4.9
187.13408	72.6
188.13780	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	188.0719
Annotation	1,3-Dimethyl-6,8-isoquinolinediol
Peak:m/z	Relative Intensity
51.52981	0.4
59.01382	3.1
60.01702	0.7
68.99835	1.0
69.11623	0.9
69.11958	4.6
79.09545	0.5
96.00923	49.3
97.01711	14.6
100.08504	0.7
110.02505	0.6
110.56090	0.5
115.75005	0.5
126.10044	1.3
129.00717	0.6
130.04297	0.9
141.86842	0.5
143.05037	0.6
144.04541	1.0
145.06601	15.5
145.08627	1.2
146.06046	0.9
146.07085	0.5
146.09055	2.6
170.06184	1.1
188.03716	2.9
188.07182	100.0
189.01939	0.9
189.07521	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	189.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01374	0.6
55.01886	4.6
57.03455	9.3
60.99315	0.9
71.01381	2.0
71.25041	1.0
72.99295	0.8
73.02956	28.8
76.96681	0.6
83.01395	77.9
84.01748	1.8
88.98822	4.0
99.00888	16.3
101.02467	1.7
126.94428	3.3
127.00388	100.0
128.00716	1.9
159.59633	0.7
173.19228	0.7
189.00415	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	189.0042
Annotation	Oxalosuccinate
Peak:m/z	Relative Intensity
55.01881	5.0
57.03460	7.3
70.72084	2.5
71.01386	2.3
72.04157	0.8
73.02953	30.9
74.03280	1.2
83.01396	76.5
84.01717	2.1
86.14644	0.9
99.00880	16.5
100.26161	0.8
101.02485	1.3
116.05289	0.9
127.00385	100.0
128.00711	2.7
148.79227	1.0
160.80197	0.8
189.00430	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01374	0.6
55.01886	4.6
57.03455	9.3
60.99315	0.9
71.01381	2.0
71.25041	1.0
72.99295	0.8
73.02956	28.8
76.96681	0.6
83.01395	77.9
84.01748	1.8
88.98822	4.0
99.00888	16.3
101.02467	1.7
126.94428	3.3
127.00388	100.0
128.00716	1.9
159.59633	0.7
173.19228	0.7
189.00415	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	189.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
57.03460	7.3
70.72084	2.5
71.01386	2.3
72.04157	0.8
73.02953	30.9
74.03280	1.2
83.01396	76.5
84.01717	2.1
86.14644	0.9
99.00880	16.5
100.26161	0.8
101.02485	1.3
116.05289	0.9
127.00385	100.0
128.00711	2.7
148.79227	1.0
160.80197	0.8
189.00430	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76925	0.3
56.92535	0.4
57.03457	6.7
59.01394	0.6
63.35650	0.4
67.01901	2.9
67.47444	0.4
70.61605	0.8
70.61943	0.8
74.37678	0.4
85.02418	0.6
85.02959	26.5
87.00887	44.5
88.01226	0.6
88.25793	0.5
92.12994	0.4
111.00895	100.0
112.01211	2.7
124.16060	0.4
124.92259	0.4
129.01968	5.0
130.99878	0.9
147.03049	0.5
173.00917	2.0
191.01999	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	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.43326	0.2
55.50787	0.3
57.03451	7.1
58.03791	0.3
59.01378	0.8
67.01887	3.5
70.39395	0.5
70.39738	0.4
72.18681	0.2
73.02911	0.3
85.02956	30.0
86.03314	0.4
87.00882	51.1
88.01215	0.6
96.36539	0.2
101.02463	0.5
103.03987	0.4
111.00888	100.0
112.01235	3.5
115.19006	0.2
129.01949	5.4
130.99879	0.8
147.02994	0.7
154.99870	0.9
173.00903	1.8
191.01979	6.8
191.05641	0.4
192.02290	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03452	18.3
59.01376	7.5
66.18604	0.5
67.01888	2.7
69.47186	4.1
71.01379	2.6
72.99295	1.3
83.01360	1.1
83.52505	0.6
84.02180	2.7
85.02959	100.0
85.44704	0.6
86.03294	2.4
87.00887	36.2
93.03486	1.7
98.22499	0.9
98.50319	0.6
103.00404	1.3
111.00893	67.7
112.01228	1.4
116.79909	0.7
124.13683	0.6
129.01970	4.2
147.03001	2.2
148.74550	0.7
154.99837	0.6
173.00883	1.2
191.02011	9.1
191.03706	1.3
191.05652	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.5
55.01885	4.1
57.03453	18.8
59.01385	9.3
68.99828	0.5
71.01385	2.3
83.01402	1.7
84.02206	3.2
85.02959	100.0
86.03289	2.2
87.00886	1.1
89.97517	0.6
98.21716	0.8
99.45343	0.5
103.00361	1.1
111.00909	2.8
133.31914	0.5
147.03017	1.2
191.01974	4.6
191.05659	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
57.03455	16.1
59.01390	7.9
65.79449	0.4
67.01894	0.6
68.99811	0.6
70.87311	0.7
70.87640	0.5
71.01382	2.0
72.99321	1.1
83.01396	1.8
84.02174	3.1
85.02962	100.0
86.03291	1.8
87.00887	5.4
93.03468	0.8
93.14342	0.4
97.07729	0.5
103.00392	0.9
104.60879	0.4
111.00898	8.5
119.05001	0.5
121.03017	0.4
127.04010	0.7
129.01880	0.5
137.25050	0.5
147.03035	1.3
191.00073	0.8
191.02013	5.0
191.03632	1.0
191.05626	8.4
191.07355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.96524	0.4
57.03451	8.1
59.01381	2.2
61.04090	0.5
67.01891	3.3
69.17724	3.1
72.99292	0.7
73.02952	1.1
79.95749	2.2
85.02958	38.4
86.49564	0.6
87.00887	51.2
87.54045	0.6
88.01206	0.6
93.03475	0.6
95.95240	1.1
96.96027	3.9
98.21794	1.1
98.95625	1.0
100.27942	0.5
103.03978	0.5
111.00895	100.0
112.01199	3.3
114.11317	0.5
118.99340	1.4
123.00941	1.3
124.01668	1.7
127.04079	0.5
129.01970	5.2
136.27505	0.5
148.01738	0.5
149.99626	0.8
150.99947	1.0
154.99922	0.8
168.00665	1.6
169.00926	1.1
173.00896	1.7
176.01186	1.4
180.85818	0.6
188.75635	0.4
190.50462	0.6
191.00238	0.5
191.02028	8.8
191.03625	0.7
191.05632	7.4
191.10858	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	191.0353
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.71664	0.2
55.07423	0.3
64.89937	0.2
65.58753	0.2
68.87756	0.3
68.99823	0.2
69.19519	0.8
69.19936	1.3
77.18630	0.2
81.14445	0.3
85.02953	2.7
87.00890	1.2
93.03477	0.8
103.13410	0.3
109.02969	0.3
111.00898	3.6
118.99312	0.6
119.04990	1.2
120.83234	0.2
120.90300	0.3
121.02971	100.0
122.03304	3.4
145.86295	0.3
147.04532	5.6
148.04910	0.3
156.92685	0.2
163.04070	0.8
176.01245	0.3
186.04604	0.2
191.01997	0.3
191.03539	6.3
191.05637	4.9
191.07339	0.3
191.10716	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
55.44657	0.2
57.03453	6.7
58.00580	0.5
59.01382	6.2
67.01899	1.1
68.99821	0.2
69.03454	0.5
70.46272	0.5
70.46638	0.6
71.01383	2.8
72.99324	1.1
73.02951	1.5
75.00901	0.2
78.95915	0.3
81.03468	1.4
83.01382	0.9
83.05037	1.3
84.02173	1.1
85.02957	62.3
86.03301	1.2
87.00886	5.3
93.03466	8.8
95.01400	0.4
99.00881	0.8
99.04522	1.3
101.02455	0.4
102.78141	0.2
109.02967	2.2
111.00887	3.0
111.04528	2.5
113.02390	0.2
117.01955	0.4
125.02504	0.3
126.20171	0.2
127.04028	5.5
129.01909	0.7
137.02460	0.5
147.03014	0.3
153.02011	0.4
154.99910	0.5
155.03561	0.3
171.03059	1.3
173.00920	0.7
173.04547	2.5
191.02122	2.6
191.05626	100.0
192.05989	2.8
198.01295	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	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.01886	1.1
55.44657	0.2
57.03453	6.7
58.00580	0.5
59.01382	6.2
67.01899	1.1
68.99821	0.2
69.03454	0.5
70.46272	0.5
70.46638	0.6
71.01383	2.8
72.99324	1.1
73.02951	1.5
75.00901	0.2
78.95915	0.3
81.03468	1.4
83.01382	0.9
83.05037	1.3
84.02173	1.1
85.02957	62.3
86.03301	1.2
87.00886	5.3
93.03466	8.8
95.01400	0.4
99.00881	0.8
99.04522	1.3
101.02455	0.4
102.78141	0.2
109.02967	2.2
111.00887	3.0
111.04528	2.5
113.02390	0.2
117.01955	0.4
125.02504	0.3
126.20171	0.2
127.04028	5.5
129.01909	0.7
137.02460	0.5
147.03014	0.3
153.02011	0.4
154.99910	0.5
155.03561	0.3
171.03059	1.3
173.00920	0.7
173.04547	2.5
191.02122	2.6
191.05626	100.0
192.05989	2.8
198.01295	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	193.0143
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
50.34786	0.4
52.75745	0.4
65.00327	0.5
67.01896	0.5
67.82993	0.5
70.26339	1.4
73.04391	0.4
74.70019	0.4
93.03458	3.6
109.02955	8.2
119.01418	0.8
121.02975	8.6
130.77359	0.4
133.02940	0.4
134.03755	9.4
135.04092	0.4
137.02460	24.3
138.02786	0.8
147.00876	1.5
148.01076	0.4
149.02475	0.9
149.06000	0.6
163.56345	0.4
165.01941	17.3
175.00406	2.9
178.02744	3.7
193.01427	100.0
194.01703	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30222	0.9
63.98017	1.0
70.53654	1.1
70.53975	2.1
89.83170	1.2
104.81129	1.1
106.04252	1.5
109.64450	0.9
121.02961	3.2
130.99963	1.1
133.02977	6.0
134.03754	100.0
135.04102	3.2
137.02451	21.3
139.04010	5.4
149.06082	17.3
150.03238	2.1
175.78104	1.1
178.02731	62.0
179.03069	2.3
193.05063	22.3
194.08186	1.0
199.05519	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	193.0507
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
50.21493	0.4
65.00356	0.5
79.14569	0.4
83.45768	0.5
93.03467	1.9
96.44918	0.4
102.03535	0.4
106.04276	1.1
109.02975	1.3
111.00883	1.0
117.03440	0.6
121.02962	4.0
123.00916	0.4
133.02983	7.1
134.03757	100.0
135.04108	4.3
137.02463	19.2
138.02794	1.0
139.04030	6.9
149.02408	1.3
149.06097	19.4
150.03258	2.0
150.06422	1.1
165.01961	1.8
177.11258	0.4
178.02731	60.8
179.03268	2.1
179.43059	0.5
186.45883	0.5
192.99884	0.7
193.01414	4.2
193.05083	21.1
194.05441	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	193.0507
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
59.01372	0.5
64.56795	0.4
65.00333	0.5
68.28581	0.4
93.03460	1.0
106.04256	1.0
109.02956	1.4
111.00884	0.6
113.01727	0.4
117.03500	0.5
121.02971	3.5
122.03754	0.5
132.02170	0.7
133.02972	24.2
134.03766	31.9
135.04143	0.8
136.05339	0.7
137.02457	20.6
138.02844	0.6
139.04015	7.0
149.02472	1.6
149.06099	3.4
149.09694	0.7
150.03242	2.5
159.18584	0.5
161.02461	32.2
162.02809	1.0
165.01933	1.0
165.09262	1.2
178.02730	12.5
179.02148	1.0
182.43530	0.4
193.05074	100.0
194.05467	5.4
194.08345	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	193.0506
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
50.75602	0.8
59.01390	1.0
69.39588	5.2
70.63009	0.8
72.77017	0.7
93.03466	1.4
96.78006	0.7
98.21767	1.5
106.04284	1.5
107.01479	0.9
107.05069	0.9
109.02951	1.2
111.00909	0.8
121.02980	3.8
121.06612	1.2
132.02142	1.0
133.02971	5.1
134.03758	100.0
135.04121	3.4
137.02464	18.6
139.04031	6.2
149.02467	2.6
149.06099	20.9
150.01785	0.7
150.03247	2.1
150.06461	0.9
150.94797	1.1
154.34547	0.7
163.04007	4.9
165.01982	1.3
178.02731	57.3
178.06296	2.5
179.02022	1.4
179.03281	1.2
193.01428	1.5
193.05055	29.5
194.05489	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	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.56219	0.4
51.98102	0.3
54.19299	0.3
69.03494	3.0
85.02966	0.3
89.03991	3.3
93.03458	0.8
106.04270	1.1
108.02185	0.3
111.00883	0.4
117.03479	6.7
118.03931	0.4
121.02962	2.4
133.02986	2.8
134.03754	100.0
135.04088	3.9
136.01653	0.4
137.02448	8.7
138.02791	0.4
139.04037	2.7
149.02487	0.7
149.06099	9.2
150.03265	1.0
150.06442	0.6
165.01936	0.5
178.02730	25.3
179.03175	0.8
193.01382	1.6
193.05070	14.1
194.05446	0.5
194.08179	0.4
194.34315	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89430	0.2
59.13481	0.2
69.00361	3.0
89.03979	2.4
91.61631	0.3
98.22622	0.5
103.56493	0.3
106.04247	0.7
117.03470	4.1
121.02919	0.7
133.02972	1.8
134.03748	100.0
135.04071	3.7
137.02429	4.4
139.04021	1.3
141.97595	0.3
149.06093	5.0
150.03239	0.3
178.02719	14.4
179.03061	0.4
193.05060	7.9
193.06790	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	194.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82853	0.4
57.41966	0.4
74.23525	0.4
78.35951	0.4
80.05067	0.8
82.11803	0.4
85.46196	0.4
98.21701	1.0
106.06638	100.0
107.06983	3.2
117.05920	0.5
123.00915	0.7
134.03773	0.5
135.04088	2.5
136.01682	0.9
137.02438	0.7
138.05417	0.5
150.05615	23.2
151.05936	0.8
152.91766	1.2
179.02139	4.9
179.04729	0.4
194.04584	5.0
194.08279	1.7
194.92752	0.5
194.99483	0.6
195.04608	0.6
195.06598	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	194.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75904	1.2
61.48057	1.1
68.53315	1.2
69.17002	2.1
69.17403	8.6
72.00517	2.3
72.00911	44.9
103.05547	3.2
106.04214	4.3
108.02155	1.7
117.03413	2.6
118.04238	1.7
119.05034	48.9
120.05381	2.1
121.02975	3.3
131.05022	2.2
133.02960	1.4
133.05392	1.5
133.06596	7.4
134.06128	3.7
156.93938	1.3
159.30530	1.2
161.04800	1.2
177.05576	100.0
178.05882	3.0
194.08235	97.1
195.08553	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	194.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74170	6.4
72.00517	2.5
72.00915	45.6
80.37811	1.7
95.16816	1.3
98.21845	2.0
103.05524	2.5
106.04260	3.6
108.02162	2.0
117.03443	2.8
119.05038	58.8
121.02956	3.1
129.68761	1.4
131.05048	2.6
133.02960	1.4
133.06624	6.6
133.68051	1.2
134.06139	3.8
177.05576	100.0
178.05885	3.7
185.17360	1.3
194.08237	97.4
195.08606	4.6
209.22649	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	194.0824
Annotation	N-Acetyldopamine
Peak:m/z	Relative Intensity
52.07821	0.4
53.20351	0.5
54.12039	0.5
58.02977	17.5
69.65994	3.3
72.00912	0.8
88.67101	0.6
91.05543	0.6
93.03476	1.3
95.05048	2.1
103.08922	0.6
107.05069	3.2
108.02185	2.0
109.02973	0.7
114.70728	0.6
119.05058	1.7
122.03757	13.3
123.04539	100.0
124.01661	1.1
124.04839	3.0
135.04573	6.0
137.02475	2.1
141.77330	0.6
154.02757	2.0
175.61984	0.6
177.05559	1.7
178.72736	0.6
179.02206	0.8
194.08234	94.1
195.08684	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	195.0301
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
59.01385	0.7
66.03508	0.7
67.01883	2.0
69.13383	1.1
69.13795	5.3
71.01362	0.6
76.37781	0.6
83.01391	3.0
95.01405	4.4
102.16971	0.7
107.01411	5.0
107.05042	12.3
108.02187	2.2
109.87127	0.6
111.00890	14.8
120.83373	0.6
121.02972	1.3
122.03721	1.9
123.00900	29.5
123.04481	0.8
124.01685	30.4
125.02016	1.1
134.03816	0.8
135.00920	4.8
135.04535	0.8
136.04210	0.8
137.02469	4.2
139.00414	3.9
149.02403	1.7
150.03242	14.2
151.04060	7.2
152.01176	4.3
152.02216	0.7
152.91795	2.6
165.01967	6.2
165.05591	8.7
167.03528	7.6
176.89497	0.8
180.02908	1.0
180.04324	7.0
181.00172	3.0
194.92850	0.8
195.03004	100.0
195.06598	3.8
195.13878	1.3
196.03569	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	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59539	0.6
51.57658	0.6
52.26337	0.6
57.41227	0.7
58.80153	0.6
69.10858	2.8
69.11289	3.2
69.33968	0.6
72.99316	42.5
103.05549	2.4
106.04261	3.2
108.02187	1.5
117.03474	2.8
118.04317	1.0
119.05037	39.9
120.05359	1.9
121.02934	4.8
123.04491	0.9
131.04997	1.3
133.02966	3.0
133.06598	4.2
134.03754	84.9
135.04050	3.5
136.04233	2.0
147.04533	0.7
149.06094	25.7
150.03188	1.3
150.06415	1.1
162.03233	12.0
165.05659	0.7
177.05583	100.0
178.05946	5.1
195.03038	3.3
195.06644	58.5
196.06960	2.7
201.11017	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	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96899	0.2
64.15024	0.2
70.82406	0.6
80.65083	0.2
82.30928	0.2
95.89365	0.2
103.99040	0.2
111.00935	0.3
111.61993	0.2
123.00870	1.3
123.04514	0.2
124.01682	0.9
137.02528	0.5
139.00415	1.0
140.01210	0.2
150.03273	0.6
151.00417	1.4
151.01447	0.2
151.04077	0.2
152.04814	4.4
165.02014	0.4
179.03476	1.0
180.04298	100.0
181.00212	0.3
181.04626	4.1
195.06633	16.9
196.06927	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	195.0664
Annotation	2,3-Dihydroxy-p-cumate
Peak:m/z	Relative Intensity
51.27681	0.9
52.35218	1.0
57.03439	1.1
59.01368	4.3
61.98819	1.2
62.04468	1.0
63.39812	1.4
65.00320	3.1
65.54783	0.9
66.03485	1.7
67.22805	0.9
72.37740	0.9
79.01908	1.0
81.03465	18.1
83.01380	2.0
83.05666	0.9
85.06591	3.7
87.04520	2.2
91.63857	1.0
92.11140	1.0
98.21723	2.2
107.01392	2.2
107.05025	1.0
108.27178	0.9
109.06593	8.5
111.04539	11.3
111.75628	0.9
123.00916	1.1
124.01651	1.8
125.02449	6.6
127.07665	1.5
133.06630	2.1
136.05331	3.6
151.00385	4.1
151.07660	84.4
152.08041	2.3
152.91763	5.6
160.84229	17.0
165.01949	1.1
166.90698	1.2
177.05521	1.8
181.00204	5.0
183.97279	0.9
194.92795	1.6
194.99426	1.7
195.06638	100.0
195.13844	1.4
195.81085	5.0
196.02501	1.3
196.06886	3.5
206.77550	1.0
214.32893	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	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00058	0.3
67.94321	0.4
70.91226	0.7
74.97216	0.3
90.03067	0.3
108.02203	1.3
122.03753	8.0
123.04597	1.7
135.00931	0.4
150.03239	100.0
151.03569	3.4
165.05582	48.2
166.05959	2.0
180.04301	15.8
181.00089	0.4
181.04588	0.4
195.06642	10.6
196.06946	0.8
202.80441	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	195.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01387	100.0
66.03492	0.7
69.02857	6.0
81.03481	1.4
95.05034	1.7
97.06607	3.9
107.96373	0.6
109.06646	1.4
109.76620	0.6
123.00917	0.8
134.13562	0.6
151.11263	2.9
158.63914	0.5
194.99408	0.9
195.10275	10.9
195.13995	0.8
197.65097	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	195.1393
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.57520	2.5
59.01388	6.9
61.98826	11.0
63.84507	2.4
70.02903	4.4
70.03289	6.8
105.05788	2.6
107.01312	2.9
123.00893	5.7
123.57143	3.0
135.00914	3.6
152.91777	17.5
152.94496	5.4
160.84221	67.1
166.90800	4.7
167.90469	6.9
176.98274	4.0
177.13008	4.2
181.00157	8.5
194.90599	7.5
194.92813	8.2
194.99329	7.8
195.04494	8.2
195.06410	5.0
195.13904	100.0
195.81085	21.2
195.91341	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
68.96234	0.4
69.48450	2.2
86.78964	0.4
93.08409	0.4
95.23362	0.4
109.06597	4.7
110.73397	0.4
111.08170	3.8
122.03761	0.6
125.09714	0.8
138.06845	0.7
139.07819	0.4
158.84645	0.6
160.84232	22.8
167.14432	7.4
179.10799	5.9
180.11531	0.7
195.13914	100.0
195.81119	5.3
196.14235	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	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87952	0.7
63.02402	1.2
63.89584	0.5
65.00326	1.3
67.01899	1.0
68.99818	0.8
72.75005	0.6
78.01120	1.2
83.01399	1.7
89.00340	8.9
89.72696	0.6
91.01887	5.6
95.01405	3.7
106.00629	10.2
111.00880	2.4
121.02969	100.0
122.03295	2.5
123.00898	19.5
127.00394	2.7
136.98839	1.0
138.03236	5.7
139.00410	2.8
141.01945	0.8
153.05591	53.1
154.05884	1.7
154.99846	0.6
165.01891	0.7
166.99881	11.5
182.02232	21.3
183.02518	0.7
197.04576	23.3
197.12987	1.3
198.04845	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	197.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	1.4
65.00310	1.6
68.99810	0.7
69.63268	2.0
72.56634	0.5
75.00602	0.5
78.01099	1.6
81.72944	0.6
83.01390	1.4
89.00343	10.8
91.01910	5.6
95.01393	4.7
106.00616	9.5
111.00897	1.4
121.02969	100.0
121.68831	0.5
122.03320	3.0
123.00896	20.7
124.01226	0.8
127.00375	2.7
136.98837	2.2
137.02448	0.6
137.99591	0.6
138.03241	6.1
139.00392	2.4
139.04028	0.7
153.02034	1.0
153.05594	47.6
154.02678	0.8
154.05931	1.7
165.02023	0.7
166.99869	10.7
182.02237	21.0
189.59990	0.5
197.04572	20.4
198.04924	1.2
199.15410	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	197.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83118	0.5
67.01897	0.6
68.96747	2.4
68.97171	2.7
89.00356	1.3
90.91686	0.4
91.01892	0.7
95.01397	18.6
106.00652	1.3
106.85199	0.6
109.02874	0.5
121.02963	15.2
123.00898	68.8
124.01218	1.6
127.00436	0.5
137.02414	0.8
138.03233	15.8
153.05577	11.2
166.99876	47.2
168.00253	1.1
181.01440	1.3
182.02228	100.0
183.02673	3.1
197.04562	20.1
198.04915	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	197.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16708	1.2
65.00324	12.2
67.01883	1.8
68.99833	2.2
69.04779	12.1
73.02961	3.1
77.64496	1.2
78.15252	1.4
83.01425	2.9
89.00336	2.7
91.01917	2.2
94.92473	1.4
95.01400	7.0
96.99185	1.2
98.21754	2.5
106.00611	1.5
107.01372	1.7
107.06211	1.3
109.02970	2.6
111.00888	2.7
116.92887	7.6
121.02967	5.9
123.00903	30.0
125.02465	2.9
125.93633	1.5
126.90523	1.4
135.00917	3.7
135.08208	2.6
138.03209	8.4
139.99974	1.4
151.00356	2.4
152.96031	1.2
153.01961	4.6
153.05627	5.0
153.09236	28.6
154.91370	1.9
164.41647	1.2
166.99866	20.4
167.99394	15.9
176.98315	5.9
178.99878	100.0
180.00220	4.0
182.02225	42.1
183.01692	16.7
197.00868	21.0
197.02467	1.2
197.02959	1.5
197.04536	10.5
197.08211	1.5
197.11902	2.6
198.04086	2.9
200.89293	1.3
207.57707	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	197.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.4
65.00327	2.4
66.64647	1.8
69.03457	2.5
69.10921	14.8
76.28193	1.9
77.00348	1.8
81.17674	1.8
86.76401	1.9
95.01395	7.5
97.06600	16.9
99.08184	3.8
109.02990	3.6
109.06590	2.1
116.92857	2.6
121.02956	4.3
122.03751	4.7
123.00901	30.3
125.93605	2.9
126.90507	5.0
137.02455	2.8
137.09721	3.8
138.03227	7.4
152.96022	2.5
153.05597	4.9
153.12872	100.0
154.13237	2.3
160.84219	19.4
162.83931	54.5
166.99861	23.5
167.99391	22.9
179.10794	20.3
180.01849	2.5
182.00620	3.6
182.02231	45.9
183.01741	28.0
197.02040	9.2
197.04578	8.7
197.11870	8.7
197.15387	3.2
197.80818	31.6
197.85526	2.6
198.04047	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	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11925	0.5
59.01385	100.0
60.01712	0.9
60.99319	0.5
67.89101	0.4
69.03469	0.5
69.23429	3.6
71.05045	0.4
83.01343	0.5
95.01411	1.2
97.02959	2.8
99.04521	0.7
121.02988	2.4
123.00902	2.9
137.02489	0.8
138.03333	0.5
153.05649	1.0
153.09242	1.3
156.10367	0.8
165.01942	2.4
166.99883	2.6
167.99417	1.3
182.02257	5.1
183.01773	1.6
197.04655	1.4
197.11777	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	198.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
59.01389	6.9
65.00330	100.0
66.00657	2.8
67.01842	1.0
70.02988	2.4
71.25796	1.2
72.04540	2.2
81.03461	20.5
82.02996	4.0
83.01385	4.2
83.05029	11.9
86.06180	1.2
93.03477	6.1
94.02995	1.9
95.01417	1.1
96.04554	1.4
96.26333	1.0
98.02491	2.3
108.99325	4.8
109.02970	6.6
110.02502	2.4
111.00908	2.1
111.04532	59.8
112.04050	1.8
112.04803	1.0
126.98910	1.1
127.04026	72.9
128.04376	1.9
128.07234	1.7
136.98825	22.8
137.02470	6.0
138.05621	9.1
154.05110	2.8
154.99879	36.2
155.03531	21.2
156.06662	5.1
184.52740	0.9
198.98849	4.2
199.02634	1.1
200.05684	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	199.025
Annotation	(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate
Peak:m/z	Relative Intensity
51.78252	0.6
58.79985	0.6
59.01145	0.6
59.01389	8.3
65.00333	17.4
65.03947	1.0
67.01877	0.9
69.03473	0.8
71.12669	0.9
73.01431	0.7
74.99396	0.7
78.95941	1.0
81.03467	26.8
83.01396	3.1
83.05038	18.4
87.00874	2.1
87.92543	0.7
92.99852	1.1
93.03479	8.1
95.01417	0.8
96.96973	1.5
101.92487	4.2
108.99286	0.7
109.02955	8.6
111.00891	0.8
111.04534	84.8
112.04868	2.0
118.76437	0.7
126.98885	3.8
127.04031	100.0
128.03520	2.3
128.04385	2.2
128.96841	2.8
135.58981	0.6
136.98813	4.0
137.02477	7.1
137.09698	0.7
144.97972	1.1
154.99890	5.1
155.03531	29.8
156.06789	0.7
156.21347	0.7
156.89482	1.7
194.47612	0.6
198.98997	1.6
199.02515	2.6
199.17088	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.24031	0.4
58.24274	0.4
59.01366	0.5
69.49583	2.8
73.02954	2.8
83.05023	1.5
112.33191	0.5
126.02753	0.4
127.04058	0.5
127.93194	1.2
135.08153	1.3
137.09715	10.0
154.95518	1.4
155.10794	100.0
156.11134	3.8
181.08746	0.6
184.02223	0.4
195.02892	0.5
199.09753	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	199.0976
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
50.22129	0.8
53.13169	1.0
57.03439	1.2
59.01390	1.4
62.81901	0.7
62.82247	0.8
67.05519	1.6
68.98192	0.8
69.03463	18.6
71.01381	2.2
72.99320	17.9
81.03473	1.0
86.71335	0.8
98.22535	2.5
105.07080	1.3
107.08672	8.3
109.06679	1.1
119.08694	2.2
123.08160	6.5
125.09703	2.0
127.93159	2.0
133.06592	2.5
135.08179	2.4
147.87196	0.8
151.07646	1.9
153.09236	5.7
154.95496	1.3
155.10712	1.2
163.07674	2.7
169.08733	4.9
170.24590	0.8
181.08702	11.3
182.09018	1.0
184.02075	1.2
199.09785	100.0
199.17096	3.2
200.10109	5.1
212.44960	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01375	1.2
62.00233	0.8
67.01903	1.5
69.05751	3.6
69.06183	3.4
73.02956	2.1
83.01408	0.7
83.05026	1.0
90.96318	0.7
92.99832	2.5
98.22035	3.1
99.00901	1.3
99.08183	1.1
111.00902	2.9
127.00278	0.8
127.93166	8.7
135.08214	0.8
136.98819	0.9
137.09749	8.5
154.95491	5.3
155.10794	100.0
156.11122	4.9
168.99725	1.8
181.08685	0.7
181.99687	1.6
184.02043	1.5
198.99973	1.7
199.04242	0.7
199.09747	6.8
199.13434	2.6
199.17108	1.9
200.01189	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03450	1.3
58.27928	0.8
59.01379	1.0
61.98805	1.1
67.01900	0.9
69.24944	1.8
69.25348	4.8
76.50673	0.9
83.01390	1.6
92.99844	1.5
98.22550	1.6
99.00874	2.6
99.08150	1.3
106.54368	0.9
111.00866	3.4
113.35857	0.9
119.17925	0.8
127.13483	0.7
127.25821	0.8
127.93170	22.8
137.09779	1.0
139.11307	10.0
153.12860	7.1
154.95517	15.0
154.99896	1.0
155.10808	2.9
157.93082	0.8
168.99739	1.0
181.99702	1.3
184.02092	1.7
198.94508	3.3
199.00116	1.1
199.13409	100.0
199.17131	2.7
200.01366	1.1
200.13785	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	199.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.6
57.44232	2.9
59.01376	4.8
67.01875	4.3
68.97163	2.8
69.36057	21.0
71.05050	2.8
83.01368	2.6
91.57641	2.5
92.99839	8.5
98.21914	7.8
99.00890	9.0
99.08157	4.6
111.00883	8.0
116.49308	2.9
127.93174	92.2
134.96193	2.5
136.98741	4.0
137.09695	3.6
139.11281	24.6
153.12871	20.4
154.95503	61.7
155.10822	11.3
162.83914	3.2
164.83676	5.3
168.99860	4.8
169.12297	3.8
181.04948	3.0
184.02148	10.3
198.94533	12.7
199.00005	3.4
199.13411	100.0
199.17062	8.7
199.80577	3.4
200.01230	6.5
200.13719	5.5
211.22963	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65236	0.4
54.05282	0.3
59.01385	100.0
60.01723	0.7
60.30288	0.3
61.02014	0.3
63.28986	0.4
70.29159	0.8
70.29556	0.7
91.12161	0.3
95.05719	0.3
110.71712	0.3
113.04620	0.6
157.03578	6.2
158.03784	0.4
159.01500	2.4
201.02559	9.5
202.02731	0.5
224.93172	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	201.0671
Annotation	Damirone B
Peak:m/z	Relative Intensity
57.03365	0.4
59.01277	3.8
59.01613	1.2
68.68903	0.3
73.27855	0.3
76.39826	0.3
79.86825	0.3
87.04465	0.5
87.67045	0.3
102.03427	0.4
111.08144	0.3
115.05463	0.4
116.05077	1.9
128.04988	0.6
130.04202	0.7
130.08685	0.5
131.03781	6.6
131.04808	0.6
132.04576	8.8
139.07730	0.4
143.05031	0.5
144.04570	100.0
145.03036	0.6
145.04910	4.0
145.06618	1.5
146.06148	5.1
155.05069	1.3
157.05385	0.6
157.06631	1.0
157.07730	0.6
157.08821	0.6
158.02527	2.6
158.03809	4.7
158.06050	2.9
159.04530	5.9
159.05602	0.3
171.04556	0.6
172.05312	2.5
173.02530	0.6
173.06073	4.3
173.07317	18.9
174.05714	1.3
174.07643	0.8
176.03545	1.9
182.03662	1.9
183.04533	9.3
184.05298	0.4
185.02739	0.3
186.03476	0.4
199.04208	0.9
200.04875	0.5
201.01979	0.9
201.02948	1.4
201.06902	50.0
202.07243	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03449	3.4
59.01385	3.2
60.28115	0.4
60.75961	0.3
69.03452	3.2
70.59963	0.3
71.05029	2.9
71.26488	0.4
72.99314	41.7
73.99667	0.5
83.05051	1.3
84.02184	0.4
85.02956	0.6
85.06592	1.9
87.04522	2.3
90.65355	0.3
97.06576	0.4
107.08680	4.2
109.06613	0.7
109.10255	0.5
111.04604	0.5
111.08175	0.4
113.02483	0.4
121.10199	1.9
123.08199	0.6
125.09724	5.6
125.55203	0.4
127.11314	1.4
131.03543	0.5
135.08192	0.9
137.09734	2.2
139.11314	4.3
147.08174	0.4
153.09261	0.5
155.10800	12.7
156.11095	0.8
157.12379	0.7
165.09229	1.5
179.50726	0.4
183.10278	56.3
184.10649	2.7
201.02016	1.1
201.11342	100.0
202.11690	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	201.1246
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
58.02980	1.0
59.01384	7.9
62.33273	0.8
66.50526	0.9
69.16653	5.8
69.17068	2.2
72.00927	4.4
74.02483	12.3
82.02991	11.0
82.91017	1.0
84.04555	25.2
86.02482	4.6
112.04153	0.9
114.09265	7.1
127.08787	8.5
128.03552	18.7
128.10875	1.3
140.10837	2.3
153.10352	5.7
154.07423	1.2
155.11923	8.1
157.13463	14.2
157.14667	1.5
181.09805	3.3
183.11398	79.3
184.11760	4.1
201.12459	100.0
202.12825	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	202.0723
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
55.01870	3.5
57.03443	7.0
58.02957	6.0
59.01376	10.4
64.85682	2.1
69.03449	9.6
70.02976	7.5
70.60162	4.7
71.01383	5.5
72.04559	16.7
75.00793	2.1
82.02994	10.6
83.01405	18.0
84.00903	3.6
84.04559	6.6
85.02956	4.9
85.06586	3.3
86.06115	37.0
94.03004	2.9
96.04585	5.2
97.02958	12.2
98.02489	100.0
98.06139	3.3
100.04037	13.3
102.82527	2.4
103.92046	4.2
104.97729	2.4
110.06117	3.8
112.04062	31.0
112.07708	21.5
114.05628	32.1
116.07195	8.2
124.04049	4.4
128.06294	4.7
128.07181	52.4
130.08757	24.0
138.05637	12.0
140.07184	23.3
150.26808	2.5
156.06667	95.3
157.07057	2.3
158.08244	86.1
202.07227	76.9
203.01976	7.2
203.07646	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	202.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
57.03444	8.1
57.03701	2.0
58.02971	4.0
59.01371	4.5
69.03465	22.2
70.02977	7.9
71.01394	17.4
71.25866	4.0
72.04550	13.2
72.99300	4.7
77.92995	2.1
79.01904	3.0
82.02984	10.0
83.01389	17.2
84.00893	4.2
84.04534	4.9
85.02956	15.3
85.06593	3.9
86.06127	37.5
87.00851	3.4
87.04523	4.3
96.04562	6.7
97.02962	41.0
98.02486	100.0
99.00842	2.3
100.04066	10.7
104.97779	4.1
108.04579	3.2
110.06105	3.2
111.00897	2.9
112.04055	29.6
112.07697	20.7
112.67171	2.3
113.02509	2.1
114.05630	26.5
115.00368	4.2
115.03995	2.5
116.07213	3.1
124.04054	3.3
128.07190	46.5
129.02052	2.9
130.08742	19.2
138.05634	8.7
140.07208	16.8
141.01945	13.1
142.05099	4.4
156.06671	90.0
158.08244	78.6
159.02950	2.9
161.05379	2.6
202.07239	81.7
203.01999	24.8
203.07582	4.1
213.12106	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	202.0875
Annotation	Indolebutyric acid
Peak:m/z	Relative Intensity
58.02980	0.9
59.01387	6.9
69.25646	6.0
70.02985	27.0
82.03005	1.2
85.37590	0.7
91.05550	2.1
98.02487	100.0
98.22497	1.0
99.02811	1.4
99.92609	2.1
106.38229	0.8
110.02503	5.2
111.03275	55.1
123.87628	0.7
124.13174	0.7
141.07071	1.5
141.93687	2.9
146.06158	1.3
146.69559	0.8
156.08182	1.8
157.06595	3.3
159.08173	2.5
160.97723	1.1
174.05594	1.0
174.99272	2.4
184.07701	15.9
185.06104	1.0
202.01056	1.1
202.08755	28.8
203.09177	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	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03439	3.9
57.34800	1.5
58.02959	3.3
59.01374	4.4
69.03461	78.5
70.03771	1.7
70.45589	5.1
71.01390	56.1
72.01685	1.9
72.99313	10.3
73.02985	1.5
75.00875	3.2
79.01900	21.7
83.01405	2.9
85.02953	9.6
85.61418	1.6
87.00885	12.6
95.01411	8.6
97.02960	100.0
98.02528	1.6
98.03280	2.0
103.92032	7.9
104.97741	8.7
111.00889	4.9
113.02463	3.4
115.00383	9.0
115.04037	4.1
116.07146	2.0
123.00889	5.0
126.80756	1.5
129.02022	3.7
141.01971	26.7
152.44101	1.5
157.07013	3.1
158.08229	2.1
178.26176	1.7
202.94138	5.4
203.01985	77.5
203.07538	2.3
204.02229	3.3
215.89168	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	203.0201
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02386	0.8
55.01883	1.5
57.03449	3.0
58.02964	3.6
59.01374	2.1
60.99303	2.6
64.27939	0.7
67.01891	2.3
69.03463	77.1
69.27941	1.5
69.28362	4.4
70.03796	1.8
71.01389	57.8
72.01737	0.9
72.04549	0.8
72.99324	7.7
73.02948	0.9
75.00886	5.7
75.33114	0.8
79.01900	14.8
83.01411	2.3
84.04563	0.8
85.02955	11.2
86.06123	0.8
87.00883	13.2
87.04523	1.1
93.92797	0.8
94.99338	1.0
95.01396	11.1
97.02962	100.0
98.03290	2.5
98.06115	1.0
99.00890	1.8
103.92047	6.8
104.97749	9.5
111.00867	3.2
113.02460	4.3
115.00393	9.4
115.04032	1.8
123.00899	5.9
129.01978	4.2
130.94377	2.1
130.96565	1.0
139.08740	2.9
141.01956	23.9
141.10356	2.6
143.08264	1.6
148.95461	2.4
159.03006	2.7
160.09796	2.3
161.09335	2.1
185.00908	1.4
185.09293	2.3
186.07718	4.2
202.94212	7.2
203.02002	80.3
203.10390	7.7
204.02324	3.1
204.08838	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	203.0829
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.78034	0.8
59.01378	1.0
68.23996	0.9
68.96358	6.0
68.96767	2.7
72.00918	23.0
74.02478	30.4
93.62207	0.8
98.21671	1.3
116.05080	100.0
117.05415	3.0
125.09944	0.9
130.06622	4.5
132.08269	0.8
142.06636	27.0
157.07698	1.3
159.09291	17.4
186.05589	3.5
203.08279	62.1
204.08556	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	203.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.4
59.01387	4.2
59.08112	0.3
69.03442	0.4
71.05015	0.6
71.25253	0.6
72.99316	1.0
82.06972	0.4
98.21952	0.5
111.08208	1.8
113.09749	4.6
123.08166	1.3
127.11313	5.3
137.09749	1.3
139.11302	1.6
141.09218	3.0
147.76978	0.4
155.10803	8.7
156.11214	0.4
157.12354	50.5
158.12665	1.9
160.97720	1.2
174.99234	2.4
175.04019	0.6
182.04726	0.3
185.11804	0.9
201.11320	1.1
202.98711	0.7
203.03535	1.0
203.12895	100.0
204.13240	4.6
223.71747	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	203.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54746	0.3
56.82967	0.4
59.01375	0.9
59.94194	0.3
62.23112	0.4
70.24063	1.2
72.99325	0.6
89.48367	0.3
95.05046	0.4
97.06578	0.4
99.08160	0.5
102.51543	0.3
105.03500	0.4
106.26878	0.3
111.28076	0.3
125.09755	1.1
127.11300	17.2
128.11632	0.3
137.09718	0.5
139.11293	0.8
155.10794	9.7
157.12350	59.0
158.12677	2.4
175.04001	0.5
179.23871	0.3
185.11798	1.5
201.11340	1.2
203.12891	100.0
204.13232	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	203.1291
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03450	0.4
59.01379	1.4
68.94763	1.8
68.95195	1.3
92.35848	0.3
97.54902	0.4
97.61176	0.3
98.22153	1.6
99.08187	0.7
106.78313	0.3
125.09753	0.8
127.11313	16.3
128.11658	0.4
130.51207	0.3
137.09720	0.6
139.11345	0.9
144.10228	0.3
155.10802	9.0
156.11118	0.6
157.12357	55.7
158.12660	1.7
174.99261	1.0
185.11905	1.2
201.11320	0.8
202.98798	0.5
203.12897	100.0
204.13263	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07546	0.7
59.01385	50.6
60.01719	22.7
61.01808	5.1
61.98836	100.0
62.02131	1.2
69.33792	4.9
97.64636	0.8
98.22563	1.7
146.38802	0.9
160.03790	1.3
162.01813	1.2
204.02711	7.0
204.06581	1.9
205.02736	1.1
205.05019	1.3
205.15973	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	204.0303
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
52.16214	0.3
59.01386	1.1
60.01718	0.3
61.98835	1.0
69.64212	1.1
69.64618	0.6
71.01410	0.3
72.00927	0.7
72.99333	0.3
74.02485	1.4
98.21817	0.3
116.05077	19.7
117.03473	0.3
117.05423	3.2
125.02467	0.8
131.03790	0.6
132.04561	2.0
143.06987	1.1
159.03247	2.0
160.04057	100.0
161.04422	3.7
175.99509	0.4
204.03029	11.6
204.06860	0.5
204.08521	2.1
205.03345	0.7
205.05084	1.2
205.15935	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	204.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.5
61.98843	0.5
69.64630	0.8
71.01394	0.4
91.01887	0.3
116.05078	19.8
117.05418	0.7
118.03026	0.3
125.02472	0.3
128.42409	0.3
131.03783	0.5
132.04584	2.5
137.71532	0.2
152.93141	0.2
159.03281	2.5
160.04057	100.0
161.04419	4.2
171.30229	0.2
204.03027	12.4
205.03323	0.6
205.05099	0.8
205.15967	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	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88604	0.5
57.03449	1.6
59.01381	3.2
59.19768	0.6
67.01904	5.9
71.01348	1.7
72.99318	20.1
73.02961	5.1
74.35912	0.5
75.00873	1.1
81.03452	1.2
83.01393	3.5
83.05029	0.9
85.02966	4.7
87.00890	28.8
89.56397	0.6
92.95629	0.5
99.00906	4.1
99.04546	2.4
101.02460	1.9
110.37689	0.7
111.00898	100.0
112.01231	2.3
112.98794	0.6
113.02445	0.6
115.00388	1.0
115.04046	1.8
117.01988	0.8
125.02476	5.1
125.06117	0.7
127.04123	0.6
129.01974	1.8
143.02448	0.6
143.03522	8.4
143.07156	1.1
145.05110	1.4
154.99863	5.7
161.04546	0.6
172.52672	0.6
173.00935	6.7
177.02071	0.6
205.03529	4.0
205.05191	1.2
205.07152	1.0
205.15991	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76621	0.8
54.21221	0.9
54.57174	1.0
55.01884	2.6
57.03449	5.9
59.01370	2.9
60.39701	0.9
68.25041	1.1
70.07417	3.5
71.01389	8.9
71.05027	25.5
72.99307	2.3
73.02931	2.4
75.00877	1.5
81.03460	8.7
83.01396	5.0
85.02959	17.3
87.00883	46.6
98.21886	1.1
99.00882	1.4
99.04533	20.1
101.02459	23.5
111.00870	10.1
115.00420	1.4
115.04032	2.1
125.02456	100.0
126.02787	1.9
129.01892	1.0
143.03485	3.1
145.01410	3.9
161.04607	1.3
187.02518	4.4
205.03578	15.3
217.97751	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	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37647	0.6
51.17216	0.5
55.01883	8.1
57.03452	8.3
57.11803	0.6
59.01383	4.7
67.01891	2.1
69.03464	7.0
71.01392	27.8
71.14957	1.3
72.99316	46.4
73.02958	2.1
75.00880	16.4
81.03465	45.4
82.03844	0.7
83.01398	13.7
84.02190	1.0
85.02956	35.1
86.00096	0.7
86.03300	0.7
87.00879	4.2
88.01685	1.8
97.02952	3.4
99.00893	32.3
101.02459	7.4
103.04038	1.6
111.00894	29.0
113.02463	9.6
115.00410	1.4
115.04047	1.6
117.01968	4.9
125.02461	100.0
126.02798	2.2
129.01978	2.0
131.03511	6.8
132.03024	0.7
143.03508	10.0
159.02994	0.8
161.04565	5.6
169.01447	3.8
187.02451	1.4
205.03554	48.3
206.03923	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	205.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01366	0.9
59.56123	0.8
69.11640	2.1
69.12054	5.3
72.99316	42.3
73.02946	2.2
75.00888	1.9
78.27029	0.8
81.07104	3.3
85.02937	1.3
85.06590	2.2
97.06606	0.9
99.08173	14.4
101.06104	3.2
113.06084	4.8
115.07661	100.0
116.08013	1.8
125.06118	1.9
129.05594	64.9
130.05956	1.7
143.07155	36.3
159.06651	3.4
161.08191	1.6
205.07190	37.6
206.07616	1.5
220.47443	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	205.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26450	0.8
59.01367	0.9
69.71375	3.7
69.71773	1.6
72.99313	35.8
73.02946	2.3
73.99665	1.1
75.00870	2.2
81.07073	2.9
82.37251	0.8
85.06606	1.4
93.21248	0.9
97.06597	1.5
98.21812	1.1
99.08176	12.5
101.06077	1.4
113.06107	4.9
115.07660	100.0
116.08009	2.1
123.90509	0.8
125.06073	1.6
129.05595	59.2
130.05916	2.0
143.07147	34.5
143.07997	0.7
144.07466	0.9
159.06624	3.3
161.08238	1.0
205.05232	2.0
205.07181	37.8
206.07544	2.2
220.02261	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	205.0872
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
55.31723	1.0
61.98838	1.6
65.01173	1.0
69.00570	1.0
71.26427	1.2
71.26904	1.6
72.99326	1.5
81.47231	1.1
106.04258	53.5
107.04567	2.0
108.02176	1.8
115.07662	3.8
121.02985	2.2
129.05582	2.5
133.82408	1.0
138.03253	26.0
138.04266	0.9
139.13765	1.1
143.07181	1.5
147.04524	1.2
150.03215	4.4
161.09741	100.0
162.10071	4.5
164.07150	2.1
182.02229	7.7
205.01450	2.1
205.04999	1.7
205.08713	52.7
206.08963	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
56.21715	0.7
58.02980	35.7
59.79838	0.7
61.26307	0.7
61.74830	0.8
70.02980	13.2
71.05982	0.9
72.00925	6.2
91.05545	15.3
135.04539	1.8
147.04543	42.4
148.04890	1.6
162.09305	1.2
164.07181	100.0
165.07503	3.7
206.08246	29.5
207.08589	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	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38267	0.3
54.85123	0.3
57.32287	0.3
58.02982	38.7
59.03329	0.4
59.59153	0.3
59.90672	0.3
62.44611	0.3
70.02985	14.0
72.00920	7.4
91.05547	13.9
93.38889	0.3
103.05553	1.0
119.05053	0.7
134.03801	0.5
135.04552	1.5
145.45746	0.4
147.04541	41.1
148.04927	1.2
162.09268	0.8
164.07184	100.0
165.07535	3.4
203.57834	0.3
206.08238	30.5
207.08633	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	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.12215	0.7
62.37093	0.7
70.80209	1.7
77.03964	0.9
78.56777	0.7
93.03441	2.0
95.05037	8.5
96.29610	0.8
105.03479	1.9
109.55303	0.8
121.02969	9.2
126.39951	0.7
149.02454	14.0
150.02776	1.0
151.03981	0.8
163.03996	1.4
177.01947	100.0
178.02271	5.3
191.03490	2.4
192.00749	5.3
192.04297	99.6
193.04672	4.2
193.07451	2.2
195.10919	0.7
207.02931	2.7
207.06631	19.3
208.02341	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	207.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57669	0.5
69.57119	1.6
69.57526	0.8
77.03963	0.7
93.03478	3.7
95.05016	3.3
105.03477	1.0
107.01356	0.4
121.02974	7.0
123.04534	7.3
135.04559	0.6
149.02460	21.7
150.02806	0.6
151.00406	0.4
163.04036	1.1
177.01947	100.0
178.02255	3.9
191.03574	2.2
192.04303	92.6
193.04665	4.6
207.06650	19.3
222.92316	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	207.0665
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02392	0.2
52.61869	0.2
59.01370	0.2
59.37230	0.2
68.85018	0.2
69.60831	0.5
69.61244	0.6
72.34514	0.2
73.76135	0.2
73.81491	0.2
77.03982	0.3
77.44927	0.2
81.56178	0.2
82.17839	0.2
82.83724	0.2
95.05034	0.6
97.65698	0.2
102.54956	0.2
105.03468	5.3
109.06609	0.2
109.30112	0.2
111.04283	0.2
111.95820	0.2
119.01382	0.2
123.04540	0.4
123.30472	0.2
132.02209	0.3
133.02968	39.0
134.03322	1.2
135.00992	0.2
149.02425	2.0
151.04018	0.4
161.02480	0.2
164.04807	3.0
169.59129	0.2
177.01936	12.6
177.09215	0.4
178.02281	0.6
178.98396	0.2
178.99872	0.3
192.04298	100.0
193.04633	4.3
207.06638	15.3
207.13896	2.5
208.06834	0.6
224.10530	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	207.1392
Annotation	(6R,9R)-9-Hydroxy-4-megastigmen-3-one
Peak:m/z	Relative Intensity
59.01385	47.6
63.02380	3.5
64.37030	3.0
69.87569	12.7
71.01393	3.9
78.32610	2.6
78.86780	3.2
82.29956	2.5
83.01435	3.3
91.01912	5.0
97.06601	6.1
99.04527	30.2
107.01410	7.8
151.00394	11.5
151.04034	3.4
156.94093	2.8
163.00325	3.5
163.11179	3.9
163.14873	4.0
165.07478	3.4
177.01906	5.8
178.99942	3.7
183.72737	3.0
189.12856	8.3
192.00607	3.0
192.04245	6.4
206.78918	4.5
206.99406	7.0
207.04695	4.5
207.06635	83.1
207.13921	100.0
208.06931	3.9
208.09785	2.8
208.14255	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	208.0617
Annotation	p-Hydroxyphenylacetylglycine
Peak:m/z	Relative Intensity
70.91068	1.1
70.91416	1.6
85.02969	4.1
91.01904	1.4
93.03477	2.6
106.04258	11.6
107.05044	100.0
108.02204	5.5
108.05377	2.9
119.05024	1.7
121.02953	8.1
126.41149	1.0
136.07698	36.7
136.70599	1.0
137.08087	1.1
138.03214	2.8
143.68205	0.9
164.03606	0.9
164.07184	1.5
165.02063	1.0
197.09962	1.0
208.06142	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	209.0304
Annotation	D-Galactarate
Peak:m/z	Relative Intensity
55.01878	2.5
57.03453	11.4
59.01386	15.1
62.12041	0.5
64.23251	0.5
68.99818	1.9
69.54185	2.5
71.01386	28.5
72.99311	6.9
73.02943	0.7
75.00880	3.5
75.70678	0.6
83.01393	2.2
84.02172	2.6
85.02957	100.0
86.03291	1.4
87.00873	3.6
89.02450	9.2
94.81542	0.5
98.22568	0.6
101.02497	0.6
103.00375	2.0
111.00877	1.1
115.00385	1.9
129.01952	6.3
133.01428	8.5
147.03003	3.9
173.00957	1.0
189.30121	0.5
191.01991	24.6
194.16609	0.6
208.19379	0.6
209.03040	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03180	1.1
57.03453	16.4
58.00600	1.3
59.01383	19.8
60.44069	0.6
68.99810	1.4
71.01389	29.1
71.12542	1.3
72.99320	5.9
73.02972	1.4
75.00880	3.8
76.30338	0.8
78.95927	1.1
83.01385	4.0
84.02178	4.5
85.02957	100.0
86.03278	1.5
87.00877	8.2
89.02444	11.3
93.03452	0.9
99.00866	3.0
101.02457	4.1
103.00382	2.1
111.00892	2.9
111.04516	1.2
112.98821	4.3
115.00417	3.0
115.04025	1.0
119.03508	0.7
121.02950	4.8
121.67039	0.6
124.98820	0.9
129.01953	12.9
131.03505	4.1
131.08272	7.6
133.01445	11.0
136.94987	0.8
137.02530	0.6
141.01967	1.4
142.99878	13.9
147.02989	3.0
158.90236	0.6
159.02988	1.6
159.12329	0.7
161.04558	1.0
165.01952	1.0
168.07794	0.8
173.00885	3.9
173.10437	5.6
191.01996	16.0
191.03864	1.1
191.05621	9.0
192.65672	0.7
208.93428	1.8
209.01190	1.1
209.03090	15.4
209.06654	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	D-Galactarate
Peak:m/z	Relative Intensity
55.01881	1.9
57.03449	13.7
59.01382	14.7
66.88918	0.8
68.99832	1.7
69.46368	3.4
69.46777	1.6
71.01385	26.6
72.99312	7.3
75.00889	4.7
83.01397	1.7
84.02159	3.3
85.02956	100.0
86.03320	1.2
87.00880	2.9
88.44330	0.7
89.02439	8.6
98.22484	1.5
103.00394	1.7
111.00909	0.9
115.00390	1.6
129.01938	4.6
133.01459	9.0
147.01947	1.1
147.03008	7.0
191.01961	14.9
209.03047	17.1
224.56451	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	209.0304
Annotation	D-Galactarate
Peak:m/z	Relative Intensity
55.01877	1.7
57.03453	11.4
58.00595	0.5
59.01383	12.5
67.31700	0.5
68.99812	0.9
70.90606	0.7
70.90942	0.6
71.01391	24.8
72.99307	5.3
73.02986	0.5
75.00878	4.2
78.03096	0.5
80.62042	0.6
83.01402	1.7
84.02180	2.6
85.02959	100.0
86.03291	1.2
87.00877	2.5
89.02457	8.6
103.00352	2.6
111.00877	0.9
115.00391	2.1
121.02971	15.7
129.01968	4.1
133.01453	9.3
137.02481	0.9
147.03021	6.9
148.13657	0.5
151.69310	0.5
161.16423	0.5
191.01999	14.0
209.03001	15.9
209.04575	1.6
210.03516	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	209.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89595	0.5
50.99016	0.5
55.01887	2.9
57.03458	13.1
58.00602	0.6
59.01387	14.4
65.14371	0.6
68.99825	1.3
70.12305	2.1
71.01392	28.0
72.01701	0.6
72.99313	6.9
73.02947	1.5
73.47471	0.6
74.99120	1.0
75.00893	4.0
78.95909	1.8
79.63254	0.5
83.01411	2.6
84.02192	3.7
85.02962	100.0
86.03302	1.0
87.00893	7.7
88.98822	1.0
89.02456	9.3
96.96016	1.7
99.00904	1.7
101.02457	1.5
103.00400	2.1
111.00906	2.4
112.98836	1.5
115.00378	1.1
118.94216	2.7
121.02991	1.7
127.62296	0.5
129.01965	14.1
131.03505	1.7
131.08281	2.5
132.95439	0.6
133.01451	8.5
136.94034	1.3
136.95102	0.7
142.99866	4.7
147.03050	4.5
159.03012	2.1
168.07880	0.7
173.00943	1.6
173.10439	1.2
191.02011	20.1
191.05574	3.7
200.42226	0.6
208.93462	1.8
209.03047	19.3
209.06644	11.1
209.08574	0.7
210.08734	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	209.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03451	11.1
59.01383	12.2
71.01392	23.9
71.25271	0.6
71.25616	0.7
72.64917	0.7
72.99318	8.2
73.02939	0.6
75.00880	4.2
83.01382	2.2
84.02180	2.4
85.02962	100.0
86.03307	1.2
87.00882	2.7
89.02444	8.6
91.01904	1.2
93.23322	0.6
97.11415	0.6
103.00384	1.7
103.43501	0.7
109.04585	0.6
111.00889	1.3
115.00363	1.9
120.02190	1.9
121.02974	88.3
122.03319	2.6
129.01945	4.5
133.01450	8.2
136.01692	1.1
137.02495	1.2
147.03052	4.7
150.21564	0.6
165.01927	0.9
181.05077	0.8
191.02011	13.9
191.03632	1.3
209.03020	15.1
209.04648	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	209.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03455	2.6
59.01384	3.4
62.87381	0.4
65.00333	0.4
68.99828	0.6
69.29212	0.4
71.01393	5.5
72.99311	1.5
75.00871	1.2
79.23370	0.4
83.01404	0.4
84.02171	0.9
85.00365	0.5
85.02959	21.0
87.00898	0.4
89.02450	1.9
91.01923	1.8
96.00907	0.8
109.01701	5.9
109.02921	0.5
115.00405	0.5
120.02187	1.7
121.02969	100.0
122.03311	2.5
129.01988	1.1
133.01440	2.0
136.01671	1.6
137.02455	1.0
147.03059	0.8
160.17097	0.4
165.01996	0.5
191.02029	3.3
209.02956	3.3
209.04607	8.5
209.08228	0.6
220.58762	0.4
228.69962	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	209.0457
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
56.34773	0.3
56.55935	0.4
59.01384	0.5
61.23353	0.3
67.01897	0.5
69.76181	0.7
69.76584	0.9
79.17032	0.3
83.10815	0.4
85.02955	0.6
91.01909	1.9
95.01443	0.3
108.02203	0.5
109.02969	0.5
120.02161	1.6
121.02972	100.0
122.03276	2.3
123.04535	0.9
136.01695	1.3
137.14229	0.3
150.03207	0.6
161.87254	0.3
180.69479	0.3
181.05116	0.7
209.04549	9.9
210.04987	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	209.0457
Annotation	2,4-Diacetylphloroglucinol
Peak:m/z	Relative Intensity
57.03442	2.2
59.01374	2.9
65.00320	1.0
67.01892	3.4
68.99833	2.2
69.03448	1.1
69.41378	1.1
69.79059	5.3
71.01350	1.2
71.05023	1.7
77.84189	0.9
79.01890	1.6
80.02679	2.8
81.03462	24.7
83.01393	18.7
84.72441	0.8
85.02964	3.2
93.03482	4.6
95.01386	1.5
95.05035	57.3
97.02977	7.7
98.21947	1.3
99.04534	13.2
105.03450	1.3
107.01402	1.6
108.02180	2.4
109.03001	1.6
109.06594	2.0
119.05025	1.1
121.02950	7.4
121.06544	1.5
122.03745	11.7
123.00917	1.7
123.04536	25.2
124.75554	0.9
125.02458	40.6
137.02481	1.0
137.06097	58.6
139.04028	10.1
141.05571	4.3
147.04503	1.3
149.02477	1.5
164.89227	1.0
165.01881	3.6
165.05603	11.3
166.02698	1.3
167.03511	61.9
168.03822	1.5
181.05090	9.1
209.04559	100.0
210.04861	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0822
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
57.03469	0.8
59.01116	0.7
59.01382	2.8
61.98819	0.7
65.00324	3.5
69.79301	0.5
70.54822	1.9
81.03470	18.4
83.01398	2.2
83.05032	0.8
85.02966	1.0
92.99834	1.4
98.78361	0.6
99.08177	2.4
101.06095	1.8
107.01396	1.6
120.72749	0.6
121.02973	35.8
122.03777	1.1
123.04677	0.6
123.07382	0.9
123.08193	9.7
124.01689	1.3
124.04072	1.4
125.02459	7.3
125.06102	14.2
131.98074	0.6
136.05344	1.6
136.98792	1.3
147.08189	1.8
151.00449	3.0
152.01218	0.7
164.95860	0.6
164.98309	1.3
165.09224	70.8
166.09595	2.6
179.94370	0.5
191.07149	3.3
209.04608	3.7
209.08214	100.0
210.08636	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	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03444	3.2
59.01384	100.0
60.01736	0.9
69.57942	2.6
69.63284	0.5
80.02699	0.5
81.03469	1.4
87.04199	0.4
97.06078	0.5
97.06595	2.9
98.32794	0.6
109.06596	4.3
121.02961	8.4
123.08164	0.5
124.04028	0.6
135.08197	0.5
139.36079	0.5
152.63188	0.5
165.12875	4.9
173.19872	0.5
174.95427	0.5
179.48952	0.5
185.87315	0.5
209.04611	0.7
209.11826	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	209.1185
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
57.03436	0.8
59.01376	1.1
61.25901	0.4
65.00324	0.8
71.00745	0.9
71.01389	1.4
78.85974	0.4
80.02690	2.8
81.03461	2.3
83.05033	9.7
85.02959	4.7
87.00893	0.4
88.03455	0.4
89.02432	0.8
91.01914	0.6
92.99829	2.2
93.03481	0.6
94.02991	0.7
95.01374	0.5
95.05021	1.5
109.06590	0.9
109.44753	0.4
117.74084	0.4
121.02968	24.3
121.06647	0.5
122.03354	0.5
123.04540	0.5
124.04038	1.0
125.06091	0.6
135.08199	1.2
136.01698	0.6
136.98798	1.3
137.02371	0.4
151.04022	1.3
163.11295	7.5
164.98331	2.1
165.05586	0.7
165.09212	1.4
165.12852	4.7
179.03529	5.0
181.12366	1.6
191.01947	1.0
191.10841	2.3
191.12448	0.4
194.05856	4.8
205.57864	0.4
208.97404	0.4
209.01015	0.8
209.02986	0.9
209.04738	2.6
209.11848	100.0
210.12213	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	210.0443
Annotation	imidacloprid-urea
Peak:m/z	Relative Intensity
58.12053	0.6
58.57402	0.6
59.01379	6.2
61.45793	0.6
63.71426	0.6
63.96249	3.4
64.96703	1.0
64.97028	13.7
69.03438	0.7
70.61260	1.1
71.01376	3.0
72.01701	0.7
79.95741	14.3
80.96530	5.6
85.02937	2.2
86.03304	2.6
89.30706	0.6
94.03009	0.7
95.01410	0.8
95.95238	1.3
95.97620	100.0
96.96024	11.6
121.55495	0.5
122.97575	0.8
123.00897	2.8
123.12077	0.7
124.01665	5.4
124.04041	1.8
125.02451	3.2
130.08751	87.3
131.09065	2.5
148.04416	3.4
149.99582	4.7
150.97044	2.8
164.03896	1.3
168.00655	7.7
169.01411	1.2
180.48022	0.6
192.03548	3.3
202.00323	1.2
202.50546	0.6
210.04442	62.9
211.00836	1.7
211.02730	0.8
211.04785	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	211.0615
Annotation	Danielone
Peak:m/z	Relative Intensity
51.20037	1.1
68.96608	10.0
68.97032	2.7
87.18478	1.2
92.62897	1.2
95.01397	3.3
96.96045	1.6
107.05040	2.3
108.02185	9.2
109.02960	17.0
120.02198	10.1
121.03029	1.7
123.00860	1.5
123.04531	7.8
124.01631	1.4
134.85745	1.2
135.04544	1.8
136.01620	3.1
137.02449	1.7
138.03233	1.8
148.01682	99.2
149.02164	2.8
153.05594	93.3
154.05980	1.8
156.19727	1.5
163.04030	96.7
164.04372	2.1
164.17815	1.1
165.01973	3.3
166.02744	10.1
173.50650	1.1
181.05086	100.0
182.05382	3.5
196.03809	9.1
211.06157	29.4
211.13443	1.3
212.06462	1.3
225.64214	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	211.0614
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
59.01381	0.4
76.73071	0.3
123.00847	0.6
124.01657	1.6
138.03233	5.6
143.65373	0.3
151.00352	0.7
166.02727	100.0
167.03050	3.7
181.05081	57.9
182.05411	1.8
196.03783	18.4
197.04083	0.5
211.06158	14.7
212.06602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
70.74249	3.0
79.37397	1.5
85.00426	4.0
87.70024	1.5
89.81953	1.4
95.01404	3.2
121.27460	1.5
123.00897	1.4
139.71997	1.5
141.86827	2.8
149.95224	1.8
151.04062	1.9
167.10783	3.7
167.14372	1.9
169.48538	1.8
183.13898	13.1
193.12404	4.3
200.35561	1.6
211.06116	1.9
211.13417	100.0
212.13722	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	211.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15160	0.7
51.38106	0.7
57.03444	2.1
59.01390	6.4
60.99294	1.5
65.00309	1.1
69.03457	2.3
69.46661	4.4
71.05026	1.8
81.03448	1.1
83.05010	1.1
91.39239	0.7
95.01384	1.4
95.05019	1.0
97.06612	4.4
98.22456	1.4
99.08154	2.6
109.02955	1.2
109.06601	1.8
114.92652	0.6
133.36012	0.7
136.01627	1.4
139.11339	1.2
149.13338	1.8
151.00385	2.4
164.98311	1.3
165.12886	2.6
167.10864	1.1
167.14389	5.7
193.12340	6.2
211.03754	0.9
211.13411	100.0
212.13721	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
69.03471	0.6
70.21909	1.2
83.05045	0.6
98.22290	1.0
105.25214	0.6
130.58737	0.6
141.86784	0.7
149.30128	0.5
167.10786	1.0
167.14435	2.1
183.12386	1.2
183.13913	15.1
184.14305	0.9
190.97224	0.7
193.12354	4.2
203.75441	0.5
210.97676	1.1
211.13409	100.0
212.13731	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.22703	0.6
60.81934	0.5
61.98827	1.3
70.26088	0.6
70.60731	1.4
81.07079	0.9
84.92340	0.6
85.00430	1.3
87.23251	0.6
91.29040	0.6
95.01410	1.1
97.06588	4.6
101.06104	0.8
109.06603	1.4
111.08163	1.1
123.00864	1.0
127.89526	0.6
139.00369	0.5
141.86830	1.3
146.22716	0.7
154.06396	3.7
159.87943	0.6
167.14418	4.5
180.65977	0.6
183.13940	2.0
186.05354	2.6
195.10342	2.3
211.13419	100.0
212.13737	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	212.093
Annotation	Kainic acid
Peak:m/z	Relative Intensity
70.81382	1.8
70.81712	0.7
71.09818	0.9
72.04540	2.0
72.95473	0.7
72.99329	1.7
80.05048	0.8
82.02988	17.9
97.02957	0.9
98.02489	1.8
100.04052	8.5
102.16636	0.8
109.26363	0.8
124.04045	1.3
140.10834	1.4
148.07672	1.3
150.09280	4.1
150.35817	0.7
166.08720	1.1
168.10310	4.5
212.09288	100.0
213.09608	3.4
213.18779	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	213.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35813	0.6
67.01885	0.5
69.03468	3.1
71.26010	0.8
79.01910	1.1
95.01378	5.3
97.02941	1.4
103.66272	0.5
107.01399	54.5
108.01781	1.2
109.00932	0.5
111.00865	0.7
111.94232	0.5
122.88046	0.6
123.00892	17.7
124.81375	0.5
125.02456	58.4
126.02798	1.3
151.00380	55.2
152.00731	1.3
169.01439	100.0
170.01810	2.9
194.99373	2.0
213.00415	33.3
213.14935	1.8
213.18616	0.8
214.00665	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	213.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	3.0
60.81898	0.8
64.63113	0.7
69.77219	3.2
70.02985	3.9
87.58292	0.8
90.65756	0.7
91.52182	0.7
98.02488	92.8
99.02818	1.4
99.05633	0.8
110.06139	1.7
114.05618	100.0
114.53988	0.7
115.05973	1.6
149.00032	0.8
151.72980	0.9
169.01317	1.2
169.09845	30.5
180.03056	0.7
185.02235	0.7
189.72661	0.7
193.45599	0.7
195.07735	1.0
213.08826	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1135
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
50.60793	1.2
59.01384	22.0
62.20396	1.5
69.03465	2.6
70.47694	1.3
70.48028	3.2
73.02972	3.0
79.05555	1.5
83.05032	8.2
90.03147	1.2
95.05026	3.8
97.06600	13.3
99.04529	37.4
101.47074	1.3
109.06616	2.0
111.04534	3.2
121.10281	1.7
133.10233	5.5
135.08183	1.8
151.11281	6.9
153.09238	21.0
177.72061	1.4
195.10268	18.0
213.11345	100.0
214.11670	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	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.19949	0.9
55.01888	1.2
59.57794	0.8
69.03471	1.2
69.07421	7.9
74.02493	1.2
83.05029	3.8
89.00347	1.8
93.03452	0.9
95.05010	1.4
97.06592	3.7
98.03736	2.5
103.52429	1.0
107.05051	2.0
125.02467	1.1
139.11281	8.4
149.09698	1.2
151.11304	100.0
152.11665	2.0
169.12386	3.5
176.98340	5.1
183.10300	1.4
183.13931	1.6
194.99347	6.4
195.10320	1.7
195.13843	0.9
197.99208	4.6
213.01750	1.2
213.03429	1.3
213.11317	3.0
213.14894	4.8
213.18588	1.1
219.97302	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.80665	0.7
58.86004	0.8
70.33916	1.1
70.34274	1.8
80.72184	0.8
126.40255	0.6
183.13933	33.6
183.15579	1.7
184.14297	1.2
195.13934	29.8
196.14186	0.9
211.13379	1.1
213.14995	100.0
214.15327	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	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.5
71.28185	1.3
97.65704	1.3
103.38194	0.9
119.15855	1.1
125.02475	1.0
131.66302	1.0
165.06644	1.3
176.98276	1.2
183.13921	30.8
184.14229	1.9
194.99356	2.8
195.13918	25.0
196.14241	1.0
197.99197	7.9
199.25497	1.0
211.04030	1.9
213.01617	3.2
213.05542	7.0
213.14967	100.0
214.15320	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	214.1085
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
50.86417	0.8
57.03453	3.9
69.55558	4.6
72.04555	27.1
82.06615	2.9
83.01414	1.7
84.71411	0.8
98.22551	0.8
101.44876	0.7
134.00940	0.8
139.71143	0.9
140.10829	7.6
141.11128	0.8
142.12392	100.0
143.12756	2.3
162.54131	0.8
168.10323	46.8
169.10631	1.5
170.11882	42.5
171.12274	1.1
201.40622	0.7
214.10858	31.8
215.01003	8.6
215.09232	1.0
215.11208	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	215.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45930	0.5
58.02965	1.9
72.00913	3.9
72.04529	0.6
74.02070	0.5
74.02483	10.6
82.02995	10.4
82.06631	1.4
84.04553	22.4
84.08215	0.6
86.02476	3.9
98.02467	0.5
98.22540	1.3
101.07228	1.4
106.94321	0.5
114.09253	0.6
116.03568	1.0
127.05126	2.2
128.03555	16.8
128.10838	4.0
140.10780	1.2
141.10378	8.7
142.12411	2.1
144.00896	1.0
154.12402	1.6
167.11917	5.9
168.09029	0.8
168.10367	0.9
169.09810	1.1
169.13501	10.3
171.10234	0.6
171.15048	9.6
195.11354	2.6
197.12970	88.4
198.13298	3.3
215.00998	6.0
215.14021	100.0
216.14391	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	216.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
58.02979	59.0
59.01385	53.7
66.03486	2.1
68.98000	10.3
68.98408	2.8
69.03465	7.2
71.05039	1.6
72.00889	1.8
72.04588	1.6
72.99316	11.3
73.02949	14.1
75.17256	1.1
78.52496	1.1
81.03449	3.6
81.80984	1.2
83.05029	16.4
84.04554	27.8
87.00887	3.6
95.63761	1.1
98.06126	5.0
100.04040	2.2
101.02490	1.9
111.00887	2.4
111.04524	12.5
112.07697	29.3
115.03988	7.0
117.63972	1.2
125.02468	1.5
126.33340	1.1
127.03051	1.3
127.04023	25.8
129.05586	2.9
130.08748	6.2
132.98270	1.1
133.02983	2.5
137.02448	2.4
140.07187	23.2
143.11946	2.8
144.03069	3.4
145.01199	1.2
145.02972	1.3
155.03508	15.7
161.02570	1.9
171.96944	1.4
174.07770	11.2
174.99280	16.3
177.59125	1.2
184.06187	18.2
187.10884	6.6
189.01967	1.5
199.02470	9.0
216.01396	6.8
216.08786	100.0
216.99953	8.8
217.03525	4.6
217.09129	4.4
217.12041	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	216.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
58.02979	56.1
58.57779	0.7
59.01380	43.4
59.03306	0.9
60.88225	0.9
66.03485	1.7
69.03455	7.1
69.49435	0.7
71.05042	1.5
72.00896	2.0
72.99315	4.9
73.02952	13.8
74.52586	0.8
78.21822	0.8
81.03455	2.0
83.05035	7.4
84.04556	26.1
85.02957	1.6
87.00868	1.2
96.04546	1.1
98.06106	5.2
99.00973	0.9
100.04071	1.5
109.79872	0.9
111.04548	4.5
112.07691	26.8
115.03992	2.3
125.02446	1.3
127.04028	12.5
130.08739	3.4
132.98203	1.6
140.07185	22.2
140.08220	1.6
144.03052	4.8
144.94522	1.2
155.03503	7.5
161.42599	0.8
171.97067	1.1
173.99622	0.9
174.07733	8.5
174.99243	12.0
182.97127	0.9
184.06169	15.0
187.10913	3.3
189.01868	1.3
199.02502	3.6
216.01424	5.4
216.08784	100.0
217.00148	8.5
217.03427	1.6
217.09062	1.8
217.11996	1.2
228.58235	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	216.9393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42290	1.9
60.99307	16.5
63.00980	1.9
63.99546	2.1
71.02597	3.6
75.29894	1.8
78.95914	5.1
88.98818	100.0
96.15981	2.0
96.97047	1.9
101.64668	1.7
125.70979	1.9
126.94421	52.4
126.95359	2.9
132.13264	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	216.9393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20971	1.8
57.06610	1.8
60.99306	16.1
70.61514	3.8
70.61864	3.4
75.74969	2.0
78.95891	4.7
88.98814	100.0
96.97013	3.2
98.21877	2.2
126.94404	57.3
130.02953	1.9
151.12143	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	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	2.8
59.01383	96.2
59.03289	1.1
60.01702	1.2
71.01380	2.2
71.05029	7.5
71.25875	1.9
72.99313	50.0
73.02927	0.9
81.03463	10.4
82.49834	0.9
83.05033	88.2
84.05360	1.6
85.02936	1.2
87.00890	1.0
88.04070	1.2
88.98816	2.9
90.97128	1.2
91.06835	0.8
93.03469	3.4
94.02871	0.9
94.92297	0.9
97.02937	4.4
99.04503	1.5
101.02456	2.1
104.56222	0.9
107.40073	0.9
109.02960	2.2
111.04527	44.6
112.04882	1.0
115.04021	34.4
117.03465	1.4
117.70155	1.0
120.99680	1.7
125.26766	1.0
127.04024	100.0
128.04323	2.5
129.05600	12.1
130.08727	2.4
132.98206	2.7
133.02954	1.7
137.02441	6.7
143.03552	0.9
144.94510	1.7
145.02931	1.4
155.03520	74.3
156.03851	2.6
157.06888	0.9
161.02406	2.8
171.03043	6.1
173.04601	1.8
174.07761	1.6
174.99248	24.3
175.08055	3.7
180.96063	2.0
187.10895	2.7
189.01996	2.4
189.04042	5.4
198.97081	1.3
199.02486	39.4
200.02771	1.4
217.00185	19.6
217.03465	28.4
217.06905	2.0
217.08960	1.9
218.98036	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	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56698	1.1
54.98986	1.2
59.01389	3.6
71.01409	2.2
71.01746	1.6
71.05016	4.5
72.99314	32.4
74.27520	1.2
81.03471	12.1
83.05037	69.1
84.05385	1.5
93.03452	5.0
97.02911	1.2
101.02467	1.3
109.02962	4.2
111.04532	48.1
112.04865	2.2
115.04028	28.9
127.04028	100.0
128.04326	1.9
129.05582	9.8
137.02452	6.3
155.03523	73.4
171.02972	3.8
189.04051	3.1
199.02498	42.5
200.02989	1.6
217.03557	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	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
58.89676	0.8
59.01387	3.1
64.26257	0.8
65.03954	0.9
69.45007	3.8
69.45423	1.8
71.05016	5.2
72.99314	29.6
81.03476	11.3
83.05035	60.7
84.05372	0.9
93.03452	4.1
101.02447	1.3
109.02961	4.0
111.04532	45.0
115.04023	24.2
127.04027	100.0
128.04390	1.8
129.05602	7.6
137.02461	5.7
141.65714	0.9
155.03520	79.0
156.03857	2.2
171.03036	4.0
189.04080	2.1
199.02496	39.9
217.03563	19.8
218.03925	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	218.0459
Annotation	Xanthurenic acid 8-methyl ether
Peak:m/z	Relative Intensity
59.01382	3.0
60.01725	0.7
69.06190	0.5
69.06516	4.8
74.24043	0.5
83.08946	0.5
92.05078	2.2
98.02483	2.6
98.78804	0.4
102.03503	0.8
118.06650	1.4
118.51556	0.5
128.05078	2.2
129.05890	4.1
130.06641	100.0
131.03810	2.1
131.05054	8.7
131.06950	2.7
144.04570	8.2
146.06126	5.5
156.04575	0.8
161.04831	3.9
167.36775	0.4
172.04071	1.3
174.05614	93.0
175.05951	3.9
175.99615	0.9
218.00754	1.0
218.04596	14.4
219.05023	0.9
219.17722	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	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01394	3.0
59.01635	0.5
62.28099	0.7
70.85087	1.3
71.01389	12.4
71.05032	18.5
88.04051	100.0
89.04381	1.1
98.06996	0.5
99.04520	5.5
116.07203	3.5
117.41418	0.5
129.05574	1.1
129.38924	0.6
131.35431	0.6
138.75540	0.6
143.86801	0.6
146.08247	48.7
147.08597	0.8
218.10347	22.2
219.10649	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	218.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36720	0.6
59.01379	3.6
66.98146	0.5
68.57038	0.6
69.50425	3.6
70.03690	0.6
71.01389	11.9
71.05022	20.0
72.00918	1.1
74.02504	0.7
85.00322	0.6
88.04050	100.0
89.04398	1.7
99.04533	5.7
116.07210	3.3
129.05568	1.0
132.04543	0.9
144.04610	1.1
146.08246	51.6
147.08604	1.3
214.54018	0.6
218.10347	20.1
219.07858	0.9
219.10699	0.8
219.17563	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	219.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65182	0.3
53.54915	0.3
54.61171	0.3
59.01388	0.7
69.77563	1.2
72.00906	0.4
74.02486	0.8
76.85475	0.3
83.05041	0.4
86.02492	1.5
87.29288	0.3
92.05075	2.1
104.05102	0.3
116.05053	0.5
117.82609	0.3
120.04579	0.8
128.05121	0.6
130.06639	1.9
131.03798	0.9
132.04578	1.2
134.06154	0.9
144.04593	1.5
146.04922	2.4
157.07732	100.0
158.08089	3.6
175.08788	3.3
190.02628	0.4
191.03535	0.4
201.06711	3.1
219.02989	0.4
219.07771	11.6
219.12314	0.7
219.17542	4.1
225.69194	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	219.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
59.40965	1.0
61.98819	1.6
71.01395	1.3
72.00919	9.7
74.02480	26.5
85.02953	4.0
86.02487	43.0
87.00890	2.3
87.04517	1.3
88.04046	1.5
88.98816	2.7
92.05071	12.6
97.02938	1.6
101.02444	1.8
102.03536	1.2
115.04078	1.2
116.05084	2.2
118.03001	4.0
120.04559	5.2
129.01938	2.7
130.06654	11.0
131.03781	23.1
131.04741	1.6
132.04578	51.1
139.04016	3.4
144.04572	63.6
145.04951	1.7
146.04875	2.0
146.06142	1.8
156.99962	1.2
157.07724	100.0
158.06117	17.7
158.08055	2.8
173.07172	3.1
174.05540	1.3
175.08800	3.2
185.81561	1.5
197.25935	1.1
201.04047	2.3
201.06786	7.3
202.05101	2.9
219.03072	2.6
219.05347	2.7
219.07750	58.4
219.12303	2.5
219.17542	46.9
220.08109	3.0
220.17885	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	219.0874
Annotation	Isoharringtonic acid
Peak:m/z	Relative Intensity
57.03438	1.1
58.00589	0.7
59.01376	2.4
60.22111	0.6
60.62737	0.6
72.99316	41.6
73.02947	2.6
75.00874	1.5
95.08682	3.3
98.21743	1.5
99.08186	3.1
111.08183	0.9
113.09749	13.0
115.07655	2.2
127.07659	5.6
129.09233	100.0
130.09567	2.5
139.07648	2.3
143.07150	56.1
144.07501	2.0
157.08716	35.2
158.09105	0.9
173.08192	3.2
182.88457	0.7
191.03468	0.8
219.08737	47.1
219.17537	2.0
220.09068	1.7
229.03775	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	219.1028
Annotation	Precocene II
Peak:m/z	Relative Intensity
59.01387	4.5
61.01775	0.9
61.98838	9.0
69.43764	0.8
70.98159	2.0
75.00865	1.2
79.17155	0.7
93.03441	0.8
95.01404	1.3
95.95254	0.8
100.88047	0.7
109.02983	1.4
121.02068	1.4
121.02953	26.7
123.00867	1.1
137.02443	3.0
149.02455	45.6
150.02763	1.3
160.84250	1.2
162.10484	0.8
163.07626	7.4
164.04803	21.5
166.32654	0.9
176.08502	1.2
196.03770	37.4
196.48961	0.9
197.04135	1.3
204.07912	1.4
218.86908	1.0
219.10269	100.0
219.17479	4.8
219.84558	3.3
220.10634	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	219.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01370	1.1
71.05030	0.7
73.02939	0.4
74.02460	0.5
95.05061	0.5
97.06609	2.7
99.08157	1.1
109.06604	4.4
110.58715	0.4
113.09731	1.7
123.08170	2.6
125.09747	5.6
127.07668	2.2
127.11308	0.4
132.04585	1.3
135.04527	0.8
137.09735	1.0
137.61678	0.3
141.09248	6.8
142.95248	0.3
143.10793	26.3
144.04523	0.6
144.11113	1.2
145.03050	1.0
147.04532	0.8
153.09239	0.9
155.10800	2.8
163.04050	0.8
173.02502	0.4
173.11853	1.5
175.04025	1.9
175.08917	0.4
191.03546	2.6
201.90265	0.4
219.02975	3.2
219.12396	100.0
219.17548	3.0
220.12749	3.7
222.92351	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	219.1393
Annotation	Glutinosone
Peak:m/z	Relative Intensity
53.95236	0.4
56.46771	0.4
57.03447	0.5
59.01095	0.4
59.01373	1.6
61.98812	0.6
62.18552	0.3
69.17056	3.2
71.05019	0.9
73.62582	0.4
83.05021	0.9
93.07101	0.8
95.36043	0.3
96.64227	0.4
106.92676	0.3
109.02959	0.7
109.12674	0.3
111.04532	4.9
119.08746	0.5
120.05782	0.5
120.81348	0.3
125.06116	3.5
135.08177	1.1
137.09752	0.8
142.24852	0.4
143.08775	0.4
148.05328	2.0
149.06018	0.5
150.36356	0.4
160.09070	0.4
161.09758	2.7
163.07678	2.9
164.08456	0.4
170.05835	0.7
175.07588	0.7
177.12817	1.2
185.09636	0.5
186.10484	0.6
188.08441	1.7
189.09233	4.3
189.12978	0.6
196.07364	0.4
201.04376	0.4
201.12881	10.6
201.14815	0.6
202.13252	0.4
203.10796	12.7
204.11563	33.2
205.11937	1.2
219.13914	100.0
220.14259	4.1
236.10597	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	221.0457
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
51.84986	1.1
55.01879	1.6
59.01367	1.7
62.92766	1.2
66.42210	1.2
69.91753	4.3
83.01393	43.8
88.85547	1.2
91.26649	1.2
93.02881	3.0
93.03473	58.6
98.22464	1.5
106.04244	1.8
107.05048	3.7
109.02953	1.3
117.03452	9.2
119.05043	56.7
120.05418	2.3
121.02975	2.9
121.06598	4.1
121.09225	1.3
131.05042	9.6
133.02959	3.9
133.06615	13.7
135.04530	4.9
145.02979	5.0
147.03363	2.8
147.04539	61.8
148.05338	8.5
149.06096	67.5
150.06381	1.5
161.02496	8.1
165.05591	18.6
166.49043	1.2
177.05585	100.0
178.05856	3.3
193.05064	22.7
221.04572	62.6
222.04929	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	221.0456
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
54.97809	1.1
55.01870	2.1
57.90217	1.1
59.01381	2.7
69.81431	3.3
69.81836	3.5
79.21050	1.2
83.01395	41.9
93.03468	57.5
100.26355	1.2
107.05039	4.0
108.02169	2.1
113.62617	1.5
117.03489	7.4
119.05039	53.8
120.05387	2.5
121.02985	4.2
121.06581	3.1
131.05055	8.0
133.02954	4.4
133.06606	16.4
134.03787	3.0
135.04561	7.3
135.73595	1.4
137.02441	1.6
145.02998	4.4
147.04538	69.7
148.05356	9.1
149.06097	69.5
150.06387	2.2
151.04018	1.5
159.04535	1.6
161.02452	7.4
163.03865	1.3
165.05586	16.3
175.04002	3.3
177.05577	100.0
178.05954	2.7
185.39838	1.5
193.05099	28.8
203.03525	3.1
221.04565	62.1
222.04898	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	221.0456
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
55.01883	10.4
58.44156	0.4
59.01374	1.0
59.36463	0.4
68.93635	2.9
68.94064	2.0
78.17859	0.4
83.01389	2.0
93.03459	3.1
98.22554	0.7
101.93295	0.4
107.05124	0.4
115.05538	1.4
117.03450	0.6
119.05047	2.9
121.02989	0.9
131.05046	8.9
133.06613	100.0
134.06961	2.7
147.04567	2.7
149.02423	0.4
149.06105	3.3
158.03819	0.5
159.04533	11.7
160.04814	0.5
161.02455	0.5
165.05579	0.8
167.00468	0.5
177.05598	8.8
193.05133	1.2
203.03540	4.2
221.01277	0.5
221.04572	10.5
221.11958	0.5
222.04733	0.5
236.32269	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	221.0822
Annotation	3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
Peak:m/z	Relative Intensity
58.28006	0.7
58.72882	0.7
59.01389	7.2
59.20208	0.7
63.86011	0.7
70.04051	0.7
89.17908	0.7
98.22570	1.5
108.02188	1.7
113.94183	0.8
116.22610	0.7
121.02956	2.1
122.03754	77.1
123.00904	2.7
123.04082	1.4
124.01702	7.5
134.03746	0.9
136.01677	22.1
162.06889	2.0
166.02718	1.2
177.09224	100.0
178.09543	3.1
178.98515	2.3
220.99574	1.2
221.08205	74.1
222.08386	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	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01387	0.4
65.31454	0.1
98.21767	0.2
98.22470	0.3
101.06091	0.2
114.15142	0.1
127.07664	1.4
134.03734	0.1
148.05330	0.5
149.06093	0.5
151.07666	0.9
152.08398	0.1
162.83910	0.3
164.08440	2.3
165.09158	0.3
177.09290	0.1
196.07387	0.1
205.12358	1.9
206.12715	1.2
207.11978	0.1
207.13927	2.8
208.14241	0.1
220.14709	4.7
221.15471	100.0
221.84244	0.2
222.07892	0.1
222.15822	4.7
225.15001	0.1
235.13406	1.9
236.13696	0.1
237.51657	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	221.1549
Annotation	Kobusone
Peak:m/z	Relative Intensity
52.93771	1.7
52.96751	1.7
59.01382	14.3
61.98820	1.9
69.62981	9.2
69.88425	1.7
79.95734	15.6
87.39702	1.8
97.02981	3.4
135.97658	1.9
139.07549	2.1
144.38820	1.8
151.07582	2.0
162.83871	2.4
178.98505	4.8
198.56158	1.9
220.99513	3.3
221.08405	2.3
221.12263	19.6
221.15486	100.0
222.07718	4.4
222.15874	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	222.0774
Annotation	Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
55.01883	1.7
57.03462	5.2
58.02980	31.1
59.01368	3.2
67.00658	1.0
68.96616	8.7
70.02987	6.7
71.01379	2.9
72.00906	4.1
72.99303	2.0
73.02953	1.4
74.02468	3.0
75.00861	2.0
83.01381	3.7
85.02959	28.9
87.00875	1.6
93.03471	4.5
101.02435	4.2
106.04237	2.8
107.05042	24.3
108.05470	1.1
111.00896	14.3
116.03536	1.3
119.05045	18.5
122.24133	1.0
129.01950	9.0
136.07693	1.3
147.02972	2.1
163.04024	18.6
164.04390	1.0
178.08742	16.6
180.06676	100.0
181.07016	2.6
187.02505	1.3
205.03546	10.4
222.07733	43.0
223.02731	1.9
223.04636	8.1
223.08049	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	223.0286
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
54.56879	0.1
59.96730	1.0
61.98824	0.5
70.09879	0.3
74.99080	16.8
75.96227	0.9
75.99028	0.3
76.97005	0.1
77.89011	0.1
81.03602	0.1
93.00141	7.6
98.22470	0.1
124.98970	0.1
129.95517	0.1
149.00972	13.2
150.01003	0.4
150.98920	0.8
152.96884	0.2
165.09192	0.1
176.83665	0.2
206.99709	5.8
207.01671	0.3
207.99792	0.4
208.97603	0.4
223.02850	100.0
223.13382	0.7
224.02898	6.0
225.00699	0.3
241.03912	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.2
57.03455	18.8
59.01384	9.5
67.01885	0.8
68.99804	1.5
71.01039	1.2
71.01387	14.6
71.26701	1.3
72.99309	6.2
73.02926	2.8
74.99088	1.0
75.00888	8.4
76.99967	0.9
83.01393	12.3
84.02158	3.1
85.02959	100.0
86.03235	1.2
87.00885	4.2
87.36625	0.8
93.03489	1.3
95.05051	0.8
96.95985	1.2
98.41014	0.8
99.00881	1.5
101.02467	11.0
103.00352	1.4
103.03976	2.0
111.00895	51.8
111.64977	0.8
115.16667	0.8
118.53040	0.9
121.02964	1.2
123.00877	1.0
125.02422	1.3
129.01956	27.0
130.02234	1.0
135.04472	3.2
135.08179	1.3
137.02461	1.1
143.03485	1.4
147.02995	8.4
149.02429	2.9
151.03983	1.1
152.01097	1.3
161.04532	3.1
163.03978	1.4
178.99869	1.9
179.07050	1.2
183.79758	0.8
187.02486	3.5
193.01477	5.7
194.22786	1.0
195.86646	0.9
205.03555	41.7
208.03780	4.9
222.98796	1.5
223.02654	5.5
223.04541	33.8
223.06171	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64570	1.3
55.01871	4.8
57.03456	14.3
59.01379	10.9
60.13113	1.3
67.08331	1.7
69.03444	2.2
70.47290	2.9
70.47665	2.2
71.01396	11.0
72.99313	42.0
73.02948	3.0
75.00869	9.8
78.95894	1.4
81.03469	20.3
83.01393	5.8
84.02151	1.8
85.02959	86.7
87.00896	7.1
97.02942	2.9
99.00890	18.0
101.02444	5.8
111.00894	26.1
113.02454	8.0
117.01946	4.6
125.02463	59.9
129.01959	89.2
131.03468	2.2
133.01431	3.1
135.01308	2.2
143.03503	7.9
147.03018	28.6
151.00502	1.6
151.95383	1.5
161.04434	2.8
169.01472	3.6
187.02382	1.8
205.01601	2.8
205.03540	50.5
206.03880	1.7
223.04607	100.0
224.04922	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10384	1.8
55.01879	4.0
57.03461	12.1
59.01375	11.7
67.01885	2.1
68.99788	2.0
69.42678	12.3
70.69354	1.4
71.01385	10.4
72.99312	40.9
73.02953	2.5
75.00869	8.4
78.56509	1.7
81.03464	19.9
83.01395	8.0
85.02959	82.4
87.00880	7.1
91.02243	5.9
93.95548	1.8
97.02962	2.5
99.00887	23.4
101.02459	6.3
103.04050	2.5
111.00889	20.5
113.02472	8.5
117.01949	6.3
120.99689	2.4
125.02462	67.5
126.02808	1.7
129.01956	87.0
131.03481	1.7
133.01480	2.2
135.01257	8.4
143.03499	5.6
147.03004	38.8
161.04585	4.2
187.02399	2.2
196.98563	2.4
205.01622	3.4
205.03543	54.3
210.46344	1.7
223.04599	100.0
224.05006	3.6
236.29765	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85610	1.0
53.26146	1.0
53.80966	1.0
55.01877	4.9
55.19020	0.9
57.03454	20.9
59.01394	10.6
67.01867	1.1
68.99800	1.5
71.01383	12.6
72.99295	5.6
73.02943	1.5
73.49438	1.2
75.00887	6.0
83.01394	11.7
84.02139	1.9
85.02961	100.0
86.03293	1.9
87.00899	5.7
101.02453	14.4
103.00391	1.3
103.04004	2.5
111.00896	44.6
129.01958	28.4
135.04486	1.4
138.71640	1.1
143.03568	1.1
147.02992	7.7
161.04619	2.3
187.02484	2.5
205.01602	2.0
205.03549	38.2
216.01561	1.1
219.00197	1.0
221.86324	1.0
223.02473	2.0
223.04619	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.1
57.03451	18.5
59.01381	11.7
68.99809	2.4
70.95171	2.8
71.01385	14.3
72.99309	8.0
73.02932	2.5
75.00877	6.1
81.03458	2.6
83.01383	10.1
84.02163	3.0
85.02956	100.0
87.00877	4.5
91.54727	1.2
95.42795	1.0
99.00923	2.0
101.02467	10.5
103.00366	1.6
103.04005	2.1
111.00889	44.2
113.02397	1.0
125.02452	4.6
129.01959	31.1
129.03464	1.4
143.03497	1.7
147.03008	8.0
152.88756	1.2
161.04588	2.6
187.02545	2.6
192.87715	1.2
202.94714	1.1
205.01617	2.0
205.03557	38.4
223.04594	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50967	0.9
50.98417	0.8
51.57156	0.9
55.01885	5.1
56.11693	0.8
57.03450	20.3
59.01376	11.1
65.30304	0.8
68.25692	0.8
68.99280	8.8
68.99796	2.1
71.01380	16.7
72.99308	7.4
73.02943	2.2
75.00887	6.4
75.53545	0.8
76.01762	0.9
83.01393	11.9
84.02149	2.2
84.99802	0.9
85.02960	100.0
86.03301	1.8
87.00892	5.2
92.34648	0.9
99.00890	2.0
101.02457	11.0
103.00408	1.5
103.03973	1.1
111.00888	47.0
125.02435	4.1
129.01956	30.8
130.02327	1.3
133.05081	0.9
143.03624	1.1
146.15407	1.0
147.03011	6.8
161.04515	1.8
165.01866	0.9
187.02528	1.8
193.01399	1.4
194.50302	0.9
205.03558	44.2
208.03793	1.6
223.02838	1.4
223.04590	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55975	0.8
55.01874	5.4
57.03452	16.8
57.07543	0.8
59.01384	11.0
62.63025	0.9
63.58310	0.7
67.01884	0.9
68.99815	2.7
71.01388	13.0
72.99319	6.0
73.02944	2.4
73.57611	0.8
75.00874	6.4
81.62187	0.8
83.01398	11.6
84.02176	3.1
85.02958	100.0
85.66943	0.7
86.03284	1.8
87.00895	4.9
89.34941	0.7
93.03487	0.8
96.96043	1.4
99.00903	1.7
100.90526	0.7
101.02452	8.6
103.00364	1.1
103.04016	1.1
111.00896	40.6
111.42738	0.7
121.02984	1.5
125.02461	1.7
129.00992	1.2
129.01953	23.8
135.04561	1.0
138.73248	1.0
143.03476	1.5
147.02997	6.5
149.02371	1.5
159.02951	0.9
161.04556	2.4
164.04823	0.9
176.46681	0.8
187.02417	2.0
191.02048	1.6
193.01398	1.2
195.71233	0.9
205.01605	1.6
205.03546	30.6
206.03842	1.8
208.03766	2.6
223.02789	1.6
223.04585	27.9
223.06682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Nifuradene
Peak:m/z	Relative Intensity
50.21355	0.7
50.26937	0.9
55.01880	3.3
55.31381	0.8
57.03457	5.5
58.52131	0.7
59.01364	2.2
61.06434	0.8
66.68369	0.7
68.33249	0.8
69.03454	1.4
70.37290	2.2
70.37629	1.0
71.01395	4.2
72.99316	48.0
73.02943	2.2
75.00875	6.5
78.95909	2.0
81.03466	20.6
85.02957	40.4
87.00891	4.7
97.02959	2.3
99.00891	22.6
101.02491	1.1
101.71177	1.0
111.00866	1.7
113.02473	8.0
117.01969	4.9
125.02461	65.7
126.02772	2.4
128.96841	2.2
129.01961	89.1
130.02290	1.4
130.07443	0.9
131.03511	1.9
137.15302	0.9
143.03500	10.4
147.01851	1.7
147.03018	32.6
159.03043	1.1
161.04576	3.1
169.01476	2.5
201.57947	0.8
205.03554	36.3
206.03931	1.2
214.52007	0.8
223.04611	100.0
224.04996	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	223.0612
Annotation	Sinapate
Peak:m/z	Relative Intensity
59.01379	0.7
65.00333	0.8
67.01933	0.8
70.88683	2.0
73.68418	0.6
85.02953	2.0
91.05547	1.1
93.03468	10.4
107.01408	0.9
109.02945	0.8
117.03519	1.2
121.02970	38.7
122.03262	1.1
129.01971	0.9
132.02281	0.9
134.03706	0.8
135.04549	6.6
137.02477	1.5
147.04556	3.0
149.02455	100.0
150.02815	3.2
151.04010	1.2
152.01155	8.5
163.04018	9.2
164.04807	68.5
165.01942	6.7
165.05156	2.5
167.03558	2.4
169.05080	4.3
179.07190	6.4
193.01439	33.0
194.01804	1.0
207.02982	1.0
208.03783	44.1
209.04137	1.9
223.02966	3.5
223.06142	29.5
230.68199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0614
Annotation	Sinapate
Peak:m/z	Relative Intensity
53.84055	0.6
63.02372	0.7
65.00307	1.2
65.75140	0.7
67.01863	1.7
68.96571	6.7
79.01862	0.6
80.64549	0.7
93.03460	19.9
99.19774	0.7
109.02921	1.7
121.02966	29.4
122.03268	0.7
123.00934	0.8
123.04484	0.7
125.02414	0.7
135.03508	0.8
135.04538	12.3
136.01585	0.8
137.02411	2.7
148.01669	0.7
149.02454	63.8
150.02762	1.2
151.03979	2.0
151.99991	1.0
152.01170	19.4
163.04034	18.1
163.69873	0.6
164.04808	34.2
165.01950	14.0
165.05042	0.9
167.03516	2.6
169.05099	9.3
178.99741	0.6
179.03564	0.9
179.07146	14.4
180.04338	1.1
193.01434	79.9
194.01790	2.6
194.35210	0.6
207.02971	1.4
208.03780	100.0
209.04163	3.9
223.02682	1.9
223.06137	45.2
224.06526	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	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03436	1.2
59.01387	7.1
59.22107	0.7
69.03467	8.0
69.84677	3.2
71.01374	1.0
71.05018	2.7
83.05026	1.2
85.06586	2.6
87.66879	0.7
89.27895	0.7
93.03453	1.0
95.05014	1.5
96.96005	0.8
98.22411	1.4
107.05000	1.0
108.05797	0.9
109.06596	1.3
119.18066	0.8
125.09733	1.6
126.69937	0.8
141.09163	1.2
141.86913	0.9
146.43045	0.9
149.09676	2.4
151.00383	0.9
151.04059	1.0
161.13419	1.0
164.83578	0.7
166.06378	1.0
167.10797	12.4
176.83679	1.1
176.98286	0.8
177.12875	2.1
179.10838	5.2
179.14421	11.5
193.01480	0.7
195.13934	29.3
196.14413	0.8
205.10512	1.3
205.12367	19.5
206.12668	1.0
222.98766	1.0
223.02824	5.2
223.13419	100.0
224.13884	3.9
225.37943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03456	1.5
59.01390	7.6
61.26479	0.9
61.98839	1.7
69.03448	7.9
71.05025	2.4
82.04263	1.0
83.05004	1.3
85.06586	2.4
89.93816	1.4
93.03474	1.2
98.22153	6.7
99.31818	1.2
109.06600	2.1
141.09299	1.2
144.19107	1.0
161.13382	1.5
166.06369	1.7
167.10811	9.0
177.12881	2.4
179.10828	3.9
179.14442	11.3
184.10059	1.0
187.11235	1.0
195.13902	32.9
205.12329	21.6
208.03912	1.2
223.02869	4.4
223.13409	100.0
224.13701	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	225.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
65.00325	1.2
69.81651	3.8
70.49041	0.8
79.95774	0.9
81.03457	3.5
82.02984	5.9
91.01875	1.8
93.03477	4.5
96.96032	1.1
98.22427	0.8
109.02960	100.0
110.03284	2.7
111.88882	0.8
112.04065	1.3
137.02458	92.6
138.02747	1.9
141.93994	0.7
163.04109	0.9
181.01445	89.0
181.09822	5.3
182.01787	3.0
206.10239	0.8
225.00420	8.5
225.04143	1.3
225.08826	3.2
225.11288	1.0
226.80841	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	225.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.2
63.96432	0.7
67.01880	0.8
69.40900	3.4
69.41306	1.5
72.77668	0.7
74.71008	0.7
76.95134	0.7
82.07479	0.7
93.03490	4.8
95.01418	1.0
96.96014	12.3
104.66290	0.7
109.02974	3.2
112.18973	0.9
115.43858	0.7
137.02466	26.9
138.03069	0.8
151.04092	0.8
153.05624	1.3
160.32509	0.7
165.01950	97.1
166.02309	1.8
179.03493	1.4
180.04306	100.0
181.03105	0.8
181.04671	3.0
195.01181	1.8
195.03008	40.7
195.06645	82.8
196.03349	0.9
196.06989	2.3
210.05354	51.7
211.05682	1.4
215.69182	0.9
225.00430	1.2
225.07744	40.5
225.11340	1.8
226.07925	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	225.077
Annotation	Ficusol
Peak:m/z	Relative Intensity
57.45784	0.8
59.01384	11.9
61.74326	0.9
65.00315	0.8
73.41171	0.9
79.92184	0.7
81.03413	0.8
84.65413	0.8
93.03471	3.1
95.01365	1.2
96.96028	1.2
97.06546	0.8
98.22536	2.1
99.96326	0.9
102.52525	0.9
109.02963	3.7
123.00885	1.9
124.01698	1.5
131.30472	0.8
135.04504	1.2
137.02480	28.8
138.03189	0.9
158.71907	1.0
165.01955	100.0
166.02304	2.4
180.04308	94.8
181.04716	2.7
183.11577	0.9
185.78429	0.8
195.01170	1.5
195.03012	38.9
195.06642	81.7
196.06947	2.5
210.05367	50.0
225.00406	1.2
225.04176	3.9
225.07700	37.9
225.11296	2.8
226.08035	1.5
228.69849	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	225.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.3
65.00327	2.1
67.97047	1.2
69.13074	9.6
78.96565	0.9
83.05054	2.2
93.03471	3.7
111.04533	4.3
127.08389	1.1
127.80998	1.0
136.98802	2.6
137.02460	3.5
139.03979	7.1
151.03973	1.5
165.01974	2.0
167.03519	29.8
180.00662	4.2
180.04344	1.7
181.05142	2.5
181.12370	2.2
192.04286	2.5
195.03004	100.0
195.06691	3.2
196.03307	2.6
206.99390	1.5
207.10307	2.1
209.04575	8.9
210.05354	97.1
211.05698	2.9
225.05647	1.1
225.07703	23.0
225.11285	7.9
229.40669	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	225.1136
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
59.01384	100.0
65.00320	3.7
70.60581	4.5
78.34942	1.7
92.61324	1.5
93.03468	4.5
99.04517	2.1
132.94646	1.6
136.98817	5.4
137.02509	2.9
140.15919	1.6
153.09201	3.9
165.09180	17.4
181.12387	2.0
183.10287	39.0
207.10287	1.8
209.20702	1.4
215.45337	1.5
224.90601	1.9
225.11400	25.8
225.14943	38.6
226.11581	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81084	2.7
57.03446	2.8
59.01386	52.7
68.97175	3.0
68.97517	35.5
73.02953	14.7
93.03432	6.1
97.06630	3.6
120.83404	3.3
136.98889	5.2
137.02437	4.4
163.11336	15.8
181.12355	100.0
203.37457	2.8
207.10374	4.4
225.05530	10.2
225.11334	84.5
226.11722	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69332	1.8
59.01385	35.3
59.99835	1.6
65.00338	8.6
68.19670	1.6
69.50744	7.5
73.02654	1.5
73.02952	17.1
81.01547	1.5
87.04558	1.8
93.03448	4.1
95.05013	1.9
109.06583	5.7
115.25549	1.5
136.98808	17.1
147.08142	1.8
163.11317	17.0
165.01820	1.7
172.14929	1.5
180.78940	1.4
181.12360	100.0
182.12846	3.7
195.02972	1.9
207.10283	9.9
210.05252	3.5
225.07962	2.5
225.11331	59.2
225.14896	3.9
226.11626	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	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03458	16.5
59.01386	42.1
65.00327	5.6
67.33842	2.0
69.03460	8.3
69.44584	9.4
69.44990	4.6
81.03473	9.0
81.76779	2.0
84.02218	2.2
84.02852	1.9
93.03465	2.2
95.05040	26.3
97.02963	82.2
97.06608	2.0
98.03780	12.7
99.04515	6.2
109.06619	2.3
111.04565	3.4
113.06098	22.1
123.08183	5.7
124.05328	2.2
136.98827	8.4
137.02486	3.2
137.09744	8.0
159.12740	2.4
163.11319	20.0
165.09210	3.1
181.12361	100.0
182.12653	3.1
225.11357	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42531	4.3
58.71383	4.3
59.01382	49.2
65.00331	7.0
72.57064	4.0
73.02949	11.1
78.67476	3.9
93.03477	12.1
93.93963	3.6
98.22543	8.6
99.04520	13.2
109.06624	5.7
118.47688	3.9
136.98820	12.9
137.02489	8.2
147.08072	3.9
163.11290	14.6
180.01735	4.1
181.12335	100.0
206.99210	4.4
207.10246	7.3
225.05594	4.8
225.11324	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.13047	0.6
51.86015	0.7
53.95480	0.6
57.42287	0.6
59.01386	100.0
69.81017	0.6
69.82851	0.6
81.03481	1.3
86.91496	0.6
95.05034	1.0
97.06596	5.8
104.67680	0.7
122.13982	0.7
135.08179	2.5
147.08195	3.0
151.11302	1.0
163.11307	0.8
165.09239	1.4
175.80786	0.7
181.12416	1.4
225.11342	32.5
226.11696	1.1
228.73607	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	225.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61488	0.8
53.95840	0.8
59.01389	24.6
65.00328	6.3
70.50358	1.6
70.50701	1.4
85.00003	0.7
93.03458	2.1
97.02953	12.1
97.06579	1.6
98.22229	1.4
98.24281	0.8
99.00908	3.6
109.06596	2.6
110.03745	3.5
125.09747	1.1
133.17058	0.8
135.08157	2.6
136.05330	2.7
136.98807	7.1
137.02510	0.9
142.02715	6.0
149.99568	0.9
150.53055	0.8
153.12831	1.1
161.09677	1.2
163.11295	12.4
165.01909	4.2
179.10689	1.2
181.12355	30.8
182.12712	1.5
197.11794	1.2
207.10284	74.9
208.10600	3.3
224.96964	1.2
225.04019	2.1
225.11339	100.0
226.11714	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	225.1499
Annotation	Annuionone E
Peak:m/z	Relative Intensity
57.03449	4.6
59.01393	19.1
61.98830	4.1
65.00316	3.8
70.85555	1.5
71.26082	2.8
83.80450	1.6
93.03469	4.8
136.98837	7.1
149.42082	1.8
153.01901	2.7
165.01917	4.1
180.04292	4.1
181.12378	4.7
181.16029	7.2
195.06602	2.8
206.99289	2.1
218.78403	1.7
225.00386	2.7
225.07660	2.1
225.11400	4.2
225.14986	100.0
226.15314	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	225.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.5
61.31086	1.6
61.98817	5.3
65.00323	3.9
84.21044	1.4
91.48439	1.6
93.03480	5.1
96.65115	1.6
130.93423	1.7
136.98817	8.3
137.02452	2.8
137.19427	1.7
150.30237	1.7
152.91696	2.0
181.12436	2.9
195.13905	11.3
197.15480	2.9
207.10535	1.6
207.13936	28.4
208.14236	1.9
225.11327	7.9
225.14970	100.0
226.15376	5.9
239.43640	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	225.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	43.1
61.98830	10.7
64.50376	4.0
65.00319	13.0
68.76665	4.0
70.60559	10.9
75.39925	3.9
93.03475	13.4
136.98845	14.5
141.74052	4.5
148.46825	4.8
181.12408	8.5
193.24751	4.4
195.13864	23.7
206.99420	5.5
207.10254	6.3
207.13901	69.8
225.00502	5.4
225.11292	19.0
225.14957	100.0
242.34633	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	225.1611
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
58.02965	1.1
59.01389	6.3
71.01409	0.5
71.26522	0.6
80.05072	0.9
81.03467	16.5
82.03802	0.6
83.05037	90.5
83.35035	0.4
84.05368	1.3
93.03463	1.5
95.84364	0.4
96.96021	1.5
97.02984	0.5
97.06625	0.5
100.49441	0.4
102.19111	0.4
107.06190	0.5
108.04588	0.8
123.00872	0.8
125.02511	0.7
125.07220	4.0
137.02486	1.2
139.04044	0.7
143.08253	3.3
151.04016	0.5
165.01984	1.8
180.04338	0.8
181.01561	0.6
195.03027	2.5
195.06618	1.0
207.15050	11.1
208.15253	0.6
210.05374	3.3
225.00496	0.5
225.04033	1.0
225.05862	0.7
225.07623	2.3
225.11380	2.0
225.16115	100.0
226.16385	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	226.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61382	5.1
50.75235	4.4
51.85684	4.8
57.03439	9.6
58.74436	4.6
59.01405	5.5
59.44459	5.0
63.49081	4.9
69.59924	24.5
71.01384	35.4
72.99293	5.1
73.02969	6.3
74.45964	4.5
78.95905	13.8
80.13770	4.5
81.57185	5.4
83.01385	8.2
85.02965	8.6
87.92542	16.5
90.06564	4.9
95.01360	5.0
98.02494	6.9
98.21780	6.5
99.00880	30.5
103.92036	17.3
111.00883	36.2
112.98830	100.0
115.00354	5.6
123.94656	7.6
129.00487	5.6
129.01952	9.8
137.21695	4.5
137.72137	4.7
142.99910	10.3
160.91963	5.4
173.00864	28.3
227.20155	8.8
228.03793	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	226.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61382	5.1
50.75235	4.4
51.85684	4.8
57.03439	9.6
58.74436	4.6
59.01405	5.5
59.44459	5.0
63.49081	4.9
69.59924	24.5
71.01384	35.4
72.99293	5.1
73.02969	6.3
74.45964	4.5
78.95905	13.8
80.13770	4.5
81.57185	5.4
83.01385	8.2
85.02965	8.6
87.92542	16.5
90.06564	4.9
95.01360	5.0
98.02494	6.9
98.21780	6.5
99.00880	30.5
103.92036	17.3
111.00883	36.2
112.98830	100.0
115.00354	5.6
123.94656	7.6
129.00487	5.6
129.01952	9.8
137.21695	4.5
137.72137	4.7
142.99910	10.3
160.91963	5.4
173.00864	28.3
227.20155	8.8
228.03793	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	227.02
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82961	2.3
71.01373	1.1
111.00874	4.9
123.00884	2.7
124.01681	44.0
127.00369	1.4
136.98839	1.7
139.00371	10.4
139.04025	10.5
140.01205	5.5
149.99602	2.1
164.01140	1.3
168.00659	100.0
169.00983	3.3
183.03004	33.4
184.03453	1.4
197.04510	1.8
227.01947	15.5
227.05495	1.2
227.12830	1.5
227.20198	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	227.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46168	0.9
69.07864	9.2
79.10419	0.8
95.01366	1.2
98.94126	1.0
111.00892	4.8
112.98817	1.1
113.03585	2.4
123.00919	2.4
123.04566	1.2
124.01662	6.6
125.02460	27.6
126.88202	1.0
136.01682	11.6
137.02425	1.7
138.03238	1.0
139.00406	2.7
139.04008	6.1
140.07201	1.4
151.04031	1.7
152.01151	6.2
153.01961	3.3
164.01172	91.8
165.01715	4.4
169.05081	7.9
169.27263	1.0
179.03528	41.0
180.00641	1.3
180.03981	2.1
182.02246	21.7
183.02734	0.9
183.11412	1.6
194.02118	1.2
195.03180	1.0
197.04572	100.0
198.04919	3.3
212.03268	7.3
227.03703	1.6
227.05650	36.0
227.09129	1.5
227.20193	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	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.78111	0.6
69.26594	3.9
78.77436	0.6
78.92300	0.5
80.02693	3.1
81.03452	1.7
83.05029	7.1
84.02174	4.5
90.47048	0.5
93.03471	0.5
95.05008	0.9
109.22749	0.5
116.45453	0.5
125.06129	0.9
125.95368	0.5
130.14413	0.5
133.15080	0.6
135.08203	1.2
139.11305	0.6
146.81894	0.6
147.81587	0.4
162.11214	0.6
163.11311	6.0
165.12843	4.2
181.12338	1.2
183.00493	1.5
191.10805	1.2
193.06013	0.5
199.13446	1.0
209.11841	100.0
210.12169	3.1
227.03250	2.9
227.12932	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	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59935	0.8
57.03453	2.3
69.17608	3.0
69.18033	3.3
77.18114	0.7
83.05038	2.4
83.89206	0.8
89.58933	0.7
96.31265	0.9
97.06610	2.1
111.08187	5.7
163.11293	1.7
165.12866	34.3
166.13164	1.6
183.13922	32.7
209.11839	27.0
227.12914	100.0
228.13223	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03445	0.2
58.79520	0.2
70.74722	0.5
91.29317	0.3
91.71807	0.2
108.40398	0.2
111.08192	1.3
127.67186	0.2
131.76375	0.2
165.12860	17.6
166.13171	0.4
170.43027	0.3
181.12236	0.3
183.13914	100.0
184.14240	3.6
209.11906	1.6
227.12903	15.0
228.13132	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	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
69.38725	2.5
71.05019	1.0
80.02693	1.3
81.03455	1.8
83.05039	6.5
84.02184	3.0
95.05025	0.9
98.22099	1.8
125.06043	0.6
135.08183	0.7
163.11311	5.8
165.12857	4.3
181.12396	0.9
191.10777	1.8
209.11855	100.0
210.12219	3.1
227.13048	3.0
238.19385	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	227.1656
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
52.36176	2.0
60.39662	1.8
64.08904	1.8
70.75095	1.9
71.26548	1.9
71.26938	2.4
129.41638	2.4
165.12895	2.4
183.13931	8.1
197.15511	2.7
199.13399	3.8
209.11888	4.8
209.15480	2.7
209.37982	2.3
219.42336	1.8
227.13220	12.4
227.16570	100.0
227.20102	3.7
228.16962	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	228.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
71.01389	7.6
71.27190	0.8
81.29155	0.7
87.35227	0.6
88.04048	100.0
88.31956	0.7
96.99336	1.5
100.12291	0.6
103.58473	0.6
108.23863	0.6
112.07723	2.1
113.06100	9.3
114.01974	7.9
115.00384	13.8
132.03041	58.0
163.31718	0.7
184.09814	3.0
201.01962	0.7
210.07721	1.2
225.56241	0.7
228.08781	17.3
228.10832	1.2
229.01564	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	229.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11711	0.5
52.09714	0.5
65.00259	1.6
68.99780	1.3
71.27412	1.1
72.60786	0.5
85.68280	0.5
86.46735	0.5
93.03462	1.3
98.21007	0.6
115.05535	3.4
117.03484	4.5
119.05006	1.0
134.88313	0.5
143.05037	63.1
144.05328	1.7
145.02910	1.9
155.04979	0.9
156.05817	1.9
157.06612	4.0
159.04468	1.8
167.05093	0.7
172.00334	0.6
183.04576	0.7
185.06088	100.0
186.06433	3.3
187.04031	8.4
202.50282	0.5
211.13499	0.6
227.03531	0.7
229.05101	45.3
229.14479	1.5
230.05476	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	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
61.75906	0.7
69.39522	1.4
69.39939	3.7
71.01372	0.8
81.33819	0.7
81.83643	0.7
83.05086	0.8
149.06093	2.7
163.11258	0.8
169.12354	13.4
181.12404	6.7
193.12321	7.4
199.13416	3.3
211.13460	15.6
227.12900	1.5
229.14458	100.0
230.14795	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03440	0.8
60.97840	0.4
69.29994	2.3
69.30412	0.9
83.05017	1.4
85.02974	0.8
99.62318	0.5
112.66956	0.4
117.96986	0.4
118.69643	0.5
125.09718	2.5
127.11312	4.2
143.05048	1.4
143.10733	0.5
159.41008	0.4
165.12833	1.2
167.14403	2.1
171.10283	3.6
171.83748	0.5
183.13927	1.8
193.12430	0.4
207.32587	0.4
209.11847	2.8
211.13403	10.6
227.81252	0.4
229.14455	100.0
230.14812	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	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.69143	0.3
57.03450	1.6
69.05299	2.6
71.05035	0.4
71.74520	0.3
83.05031	0.7
85.02957	0.9
86.30492	0.2
97.06580	0.5
125.09742	2.5
127.11301	4.5
138.61826	0.3
145.18144	0.3
155.14391	2.0
165.12880	0.9
167.10776	0.3
167.14415	1.4
171.10292	4.5
183.13919	1.0
201.14902	0.3
209.11877	2.9
211.13409	7.2
228.92387	0.4
229.14459	100.0
230.14801	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03446	0.3
58.00592	1.2
59.01371	0.3
60.96488	0.2
62.85904	0.2
71.01378	0.2
71.61143	0.2
77.79411	0.2
78.16253	0.2
86.34834	0.2
103.62423	0.2
122.48026	0.2
153.12865	1.7
155.14433	5.5
165.12888	0.5
167.14423	0.9
171.14011	0.3
181.12379	0.4
183.13916	7.5
184.14310	0.4
185.15475	0.4
193.12338	0.5
199.13406	4.9
201.14973	0.3
209.11760	0.4
211.13399	5.6
212.13667	0.3
227.12926	3.3
229.14456	100.0
229.18173	2.6
230.14784	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	229.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45226	0.5
57.03447	1.5
59.01384	35.0
71.05002	0.7
71.28162	0.7
84.02149	0.8
85.02963	0.8
95.61967	0.4
125.09743	4.7
127.11301	3.6
139.11317	1.1
143.05138	0.5
154.57663	0.5
155.14432	1.4
159.96913	0.5
165.12933	1.0
167.14442	1.2
183.13910	1.1
185.15314	0.6
209.11876	1.9
211.13472	3.6
212.55179	0.5
229.14450	100.0
230.14792	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	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01371	1.9
69.18676	3.1
69.19089	1.3
71.05022	0.8
83.05012	0.6
99.08168	2.5
106.96689	0.6
108.96638	0.8
111.86195	0.5
125.09738	2.1
127.11301	5.0
129.09238	10.4
135.11815	0.5
139.11281	0.8
142.27272	0.6
143.05049	0.7
149.06026	0.9
153.12863	0.8
155.10822	5.4
155.14413	0.8
163.11302	0.7
167.14452	2.0
171.10251	2.6
175.90158	0.6
181.12390	3.7
183.10222	1.0
183.13918	1.7
185.06029	0.7
193.12361	2.0
197.12029	0.8
199.13416	7.6
201.11342	1.8
209.11871	3.8
211.13419	11.1
212.13811	0.8
229.05132	1.2
229.14464	100.0
230.14752	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	229.1558
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
71.28102	1.8
72.99306	0.9
82.49551	1.0
109.63521	1.1
114.09258	1.9
115.08778	5.2
130.07767	2.0
130.08742	38.6
141.09204	1.1
145.02951	3.2
157.02960	1.8
161.64365	0.9
173.02443	1.9
185.02487	1.4
185.16597	35.5
201.01915	3.8
229.01459	9.4
229.04990	2.2
229.10806	4.2
229.15573	100.0
230.15834	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
52.66328	0.8
70.43332	1.2
73.01182	7.7
80.05054	3.0
82.02975	5.7
95.70520	1.1
96.04564	32.4
98.21751	2.9
98.99115	3.8
102.56455	0.9
108.04573	28.4
108.05282	2.3
109.04864	1.1
114.00204	85.9
115.00526	1.1
130.59483	1.1
142.03336	100.0
143.03645	2.4
147.05345	0.9
186.02313	37.2
188.09349	1.2
202.09048	1.1
229.12897	1.2
230.01294	65.1
231.01492	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	230.997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.3
65.03960	0.5
69.26909	3.4
69.27337	1.1
72.99321	1.5
79.95749	2.8
80.96525	2.1
81.03468	1.7
93.03465	1.7
95.01390	0.9
95.05009	0.7
95.95246	4.0
96.95975	1.1
106.04253	1.8
106.23317	0.6
107.05042	46.3
108.02151	0.7
108.05345	0.9
112.33794	0.6
121.02951	1.8
123.04527	2.8
131.08260	0.9
143.71091	0.6
151.04021	100.0
152.04378	2.2
170.88426	0.8
186.99210	0.7
187.00681	3.1
189.33882	0.7
218.12500	0.5
230.99701	53.1
231.03123	1.7
231.99930	1.8
243.24025	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	231.1605
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
52.02132	0.2
57.03465	1.3
69.70069	1.0
88.12551	0.2
98.22105	0.6
103.88652	0.3
121.66244	0.3
125.09765	0.5
127.11333	2.5
145.13741	0.2
155.14439	0.7
167.14323	0.3
171.10300	4.7
183.13957	0.4
185.15480	0.5
195.13966	0.6
213.14990	4.6
224.85043	0.3
229.14455	3.3
231.16028	100.0
232.16379	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	231.8948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52574	0.6
59.01373	1.4
60.99314	1.3
61.76381	0.6
69.88877	0.6
70.30855	2.0
78.95909	23.0
79.12904	0.6
87.92538	100.0
88.92588	0.9
88.98818	5.1
96.96030	10.3
96.96967	35.2
103.91346	1.1
103.92036	22.0
104.03532	1.5
104.92811	1.6
105.93598	15.1
119.91528	3.2
123.93798	1.2
123.94663	16.9
145.56316	0.5
149.92543	0.7
160.00186	1.2
177.92041	1.7
187.90602	2.9
191.21721	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	231.8948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	2.1
71.26902	1.5
87.92539	100.0
103.91344	2.0
103.92035	37.7
104.92810	9.8
105.93597	15.6
119.91530	2.1
123.94647	16.7
146.35381	0.9
160.91821	2.3
177.92004	1.4
187.90497	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11345	4.2
59.01378	30.1
68.33282	4.2
68.54766	3.7
69.86210	8.8
69.86604	10.5
71.01385	21.2
73.02930	4.9
78.95882	7.5
85.02954	5.8
87.92538	18.4
96.96013	46.9
99.00916	8.3
103.92038	35.3
104.92796	11.5
108.77959	5.2
111.00903	12.5
129.01927	6.6
145.00847	13.1
156.23831	5.1
160.89299	26.7
160.91826	26.5
161.89427	6.9
186.93219	4.2
188.99794	6.3
195.30319	3.8
232.98859	10.2
233.15460	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	233.095
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
59.01378	0.6
64.18109	0.2
69.22433	2.0
70.18494	0.2
75.20485	0.2
78.95911	100.0
95.96209	0.6
96.96971	31.1
98.21761	0.5
152.78554	0.2
163.83136	0.2
178.24989	0.2
233.09492	37.9
233.15480	5.6
234.09822	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	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44304	0.4
52.50783	0.4
57.87011	0.4
58.45676	0.4
59.01361	0.6
59.96721	0.4
60.84409	0.4
69.63448	2.2
74.99074	8.3
78.10615	0.5
91.02226	1.2
91.04527	0.4
93.00146	2.7
95.79671	0.4
98.21904	0.9
98.22492	0.8
118.96293	1.1
133.98456	0.5
134.99416	8.2
136.97337	2.1
143.05357	0.6
149.00970	74.7
150.00987	2.5
150.98894	1.0
159.08499	1.9
161.06419	3.5
167.02045	0.6
176.29199	0.4
212.95639	0.5
215.05679	1.2
217.07224	100.0
218.07343	5.0
233.10362	94.5
233.15387	13.5
234.10495	5.1
234.15712	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	233.1184
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
57.03444	0.9
59.01382	6.5
61.95830	0.8
66.98302	0.6
67.50190	0.7
70.58023	1.8
70.58372	1.0
71.59155	0.7
89.00329	0.8
107.42633	0.7
115.33300	0.9
119.04979	1.2
120.05419	0.9
122.03766	5.7
133.06604	1.6
134.03775	1.6
135.04544	3.8
144.05823	1.2
147.11859	2.1
147.81775	0.7
149.06096	4.9
150.06844	2.7
151.07648	1.0
155.08733	1.1
157.06612	3.0
158.15833	0.9
159.08188	2.0
160.98920	1.0
161.02472	0.8
162.06891	2.0
171.08214	1.1
171.11790	1.4
171.47710	0.8
173.09723	17.7
174.10518	12.0
187.11304	3.2
189.12868	54.1
190.13177	1.8
201.51404	0.9
215.10719	0.8
217.12373	1.4
218.13078	3.8
219.13795	1.4
232.14830	1.4
233.11993	17.4
233.15477	100.0
234.12050	1.2
234.15733	4.2
247.13347	1.4
253.66133	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	233.1186
Annotation	Pterosin N
Peak:m/z	Relative Intensity
50.48938	0.8
51.56459	0.7
53.84109	0.7
59.01383	10.4
62.09578	0.7
66.90099	0.6
69.03471	3.6
71.27494	0.6
71.27897	0.9
72.53706	0.7
75.00879	1.2
83.05031	4.9
93.03459	1.1
93.07117	1.6
121.06584	1.1
135.08119	0.9
147.08173	0.9
148.08943	1.5
157.00299	0.7
160.15608	0.9
171.11877	1.1
173.02394	0.8
173.09715	1.1
187.11269	1.5
188.98520	1.0
189.12872	9.3
232.97488	0.7
233.11861	66.6
233.15501	100.0
234.12180	3.6
234.15797	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	234.041
Annotation	3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
Peak:m/z	Relative Intensity
50.66844	0.3
60.08352	0.3
61.01605	0.3
62.06652	0.3
68.72336	0.3
69.57359	2.0
72.14068	0.3
79.54081	0.3
81.72707	0.3
90.03511	0.9
94.02976	0.5
98.21888	0.5
118.03004	4.2
119.01395	0.5
123.03273	1.2
124.04021	0.5
134.06154	0.8
138.01865	0.4
139.02780	0.8
142.48068	0.3
144.04495	0.6
146.02499	11.9
147.03284	33.2
148.03883	0.5
150.01939	0.6
151.02806	2.1
162.01985	1.9
162.05554	0.6
163.02763	0.5
172.04057	0.6
174.01978	35.3
175.02768	7.7
176.03554	0.3
178.01489	3.7
189.04352	2.5
190.05113	5.4
192.03073	0.7
202.01474	42.4
203.01868	1.2
206.00983	1.0
219.01804	0.5
234.04094	100.0
234.15819	1.4
235.04456	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	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
71.69334	0.5
72.76855	0.6
89.90535	0.5
97.25755	0.5
98.22546	2.0
116.94120	0.4
119.20915	0.6
139.76282	0.6
142.81827	0.5
177.73677	0.5
207.13943	0.6
218.11852	3.0
234.15005	100.0
235.15323	4.9
251.11577	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	235.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17466	3.4
54.14873	3.4
59.01386	20.9
61.98838	20.3
71.05033	11.3
71.25023	5.1
72.99316	49.4
74.02473	5.5
81.03484	9.8
83.05038	86.9
85.02940	4.6
91.05430	3.8
101.02450	7.4
109.02950	4.9
111.04530	36.5
115.04028	44.9
121.43470	4.1
123.04542	3.8
127.04029	100.0
129.05598	6.8
133.17209	3.8
137.02403	4.7
155.03529	83.0
162.89349	4.5
171.03065	6.8
175.06108	5.9
189.04071	5.1
191.03503	4.4
199.02492	74.5
217.03558	58.7
235.02585	7.5
235.04602	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	235.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.0
61.70993	1.2
61.97689	1.4
61.98834	2.3
71.01369	2.9
71.05032	10.0
71.25108	1.5
72.99315	52.8
74.02472	1.9
81.03469	7.4
83.05036	80.4
85.02991	1.9
93.03481	2.7
97.02976	2.5
99.04551	2.3
101.02464	2.0
109.02943	1.6
109.85819	1.2
111.04539	43.0
115.00380	1.4
115.04025	43.4
115.88562	1.4
116.00736	1.6
127.04026	100.0
128.04376	1.7
129.05611	9.6
131.03523	1.7
134.01813	3.0
137.02461	6.3
155.03525	86.7
156.03902	2.4
171.02995	4.1
173.04572	2.2
175.06139	1.4
189.04085	5.1
199.02510	67.4
200.02946	1.5
217.03561	56.6
218.03937	2.6
235.02519	2.1
235.04601	13.5
238.81062	1.3
253.49748	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	235.0614
Annotation	STELLATIN
Peak:m/z	Relative Intensity
56.84297	0.6
59.01378	1.5
69.10719	4.8
79.22251	0.5
92.05074	4.2
93.03465	4.6
96.91217	0.6
98.22514	1.2
99.00888	0.7
106.04266	0.8
108.02173	0.7
109.02977	0.7
109.67196	0.6
120.02179	1.1
121.02962	2.8
123.00883	1.3
125.80449	0.6
133.02965	1.1
134.03755	7.5
135.00931	0.8
136.04059	6.6
137.02458	2.3
146.03793	1.4
148.05331	1.0
149.02452	0.9
150.03256	1.3
161.02454	2.5
161.05984	0.7
162.03238	49.7
163.04037	29.2
163.05420	1.3
165.01915	0.9
174.05566	0.9
175.04083	1.1
176.04791	7.6
177.01947	14.1
178.02728	6.8
190.02675	3.9
191.03488	5.7
191.07195	0.7
192.04263	5.9
202.02856	1.1
205.05199	3.3
207.06573	1.6
217.05057	2.1
218.02232	0.7
219.02962	1.4
220.03786	55.0
221.04131	1.9
233.04515	1.3
235.06123	100.0
236.06499	5.0
250.87744	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	235.0725
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
59.01390	12.2
59.61219	1.4
61.98859	7.2
69.03456	1.8
69.13981	12.3
72.00926	15.4
72.99303	5.3
80.96522	11.7
83.05022	7.0
85.02949	2.4
86.02498	14.7
87.00861	2.5
92.05076	50.9
94.02988	2.7
97.02969	3.0
98.02488	4.2
105.03808	2.2
107.71408	1.7
111.00833	1.3
111.04466	2.0
115.04047	1.9
118.03006	3.1
118.06639	7.7
120.04571	18.1
127.04034	7.7
128.05095	7.2
130.06627	3.9
131.03780	29.0
132.04437	1.4
134.06152	13.9
136.04100	1.8
140.97044	1.4
141.02000	3.8
144.04573	43.0
146.02501	22.2
146.06145	31.8
147.03264	2.3
148.04066	100.0
149.04385	1.9
155.03497	4.3
155.06203	3.9
157.05243	2.5
160.04010	2.3
162.05501	2.0
162.89377	3.1
163.04099	1.4
163.08743	2.9
171.05649	6.2
172.04091	2.8
173.07214	29.8
174.05611	1.5
175.06171	1.9
176.03473	2.0
190.05128	19.5
191.03473	4.3
191.08252	2.8
199.02518	6.5
217.03775	2.8
217.06206	11.2
235.02794	7.7
235.07265	83.2
235.13423	3.8
236.07552	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	235.0978
Annotation	Monopentyl Phthalate
Peak:m/z	Relative Intensity
50.37685	1.3
57.22127	1.3
59.01372	1.8
62.95282	1.4
67.07308	1.3
70.59130	2.8
70.59454	1.6
73.51457	1.2
75.21593	1.4
78.42482	1.3
83.23196	1.4
89.90042	1.2
98.22526	1.3
99.77406	1.3
102.04753	1.3
109.02945	3.8
111.00890	1.6
119.01427	1.5
121.02972	14.4
137.02451	5.8
139.00363	5.4
139.04005	4.4
153.01883	1.8
161.26466	1.4
165.01932	22.8
170.09669	1.4
179.07133	4.4
180.04305	22.2
191.07187	3.0
212.03311	12.8
235.09764	100.0
235.13509	4.9
235.16014	2.4
236.10129	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	236.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63995	1.9
73.02955	3.0
75.37009	0.3
94.76920	0.4
96.96021	1.3
99.75157	0.4
134.02501	2.1
146.79663	0.3
148.03967	0.4
160.04031	1.2
162.01985	32.9
163.02765	100.0
164.03108	2.4
176.03517	0.4
183.65254	0.4
186.01958	1.2
204.03012	11.9
205.03557	0.5
219.37961	0.4
236.05650	34.7
237.06056	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	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.08854	0.3
69.63081	0.7
69.63499	1.2
92.05070	81.6
93.05388	1.5
95.70505	0.4
96.96029	0.7
99.00890	9.2
103.59010	0.4
130.06635	3.2
131.05132	0.5
136.04060	100.0
137.04466	2.1
146.06134	1.7
148.06523	0.8
148.07703	13.6
148.08859	0.8
149.08011	0.4
174.05609	7.8
192.06667	0.4
218.04578	6.7
221.04242	0.5
236.05661	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	236.0929
Annotation	Cotarnine
Peak:m/z	Relative Intensity
53.86656	0.5
56.63724	0.5
58.00258	0.5
58.02981	22.1
70.02986	11.6
70.91322	0.5
71.26646	0.8
72.00900	4.8
77.47005	0.6
97.36668	0.6
99.08150	0.7
106.04254	20.1
108.02191	6.9
119.05035	9.4
121.02980	0.7
133.06575	1.6
138.03232	2.2
145.02979	0.9
174.24101	0.6
174.28709	0.6
177.05589	24.7
192.10251	4.5
194.08235	100.0
195.08638	2.9
236.09303	45.0
237.09685	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85875	0.2
70.25294	0.7
94.03059	0.2
98.22057	0.5
116.11211	0.2
120.02758	0.2
134.03746	0.9
135.04559	0.4
136.05321	0.8
148.05315	10.5
149.05885	0.3
149.09741	1.5
162.06818	0.3
173.09782	0.2
175.07658	0.6
176.08470	1.0
177.09222	47.7
178.09554	2.1
190.09984	1.9
191.10719	1.0
192.11578	34.9
193.11957	1.4
201.09294	1.0
203.07156	0.6
217.08696	4.1
218.09488	8.9
219.09854	0.3
221.08133	0.2
224.10553	0.3
236.10559	100.0
237.10922	4.2
237.14865	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	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.80287	0.8
57.03437	1.7
59.01369	0.9
69.21406	2.7
69.21817	3.0
71.01402	1.0
75.58666	0.7
78.95911	1.3
83.46568	0.7
85.02965	1.4
85.98086	0.8
87.00886	100.0
127.83636	0.6
129.01970	11.0
165.29659	0.7
165.88844	0.7
167.01534	0.7
237.06158	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	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.2
55.18279	1.7
57.03446	7.8
59.01100	1.5
59.01386	29.9
61.98836	3.1
65.00335	9.4
68.57263	1.5
69.03480	2.1
70.47530	4.9
71.01392	51.7
72.99316	10.8
73.02950	14.0
73.04063	1.7
74.02474	2.0
74.65758	1.6
74.99097	1.9
75.00885	17.8
81.03458	2.0
83.01404	23.0
84.02196	2.1
85.02962	100.0
87.00896	11.1
89.02455	2.9
95.01387	2.1
96.89867	1.7
97.02990	1.8
99.00907	9.7
101.02458	33.2
105.00187	5.8
107.05068	1.9
107.91037	1.5
110.00126	1.7
111.00882	12.8
112.26558	1.5
113.02488	12.2
115.00392	41.2
115.04051	2.0
119.04960	1.7
120.99673	52.5
121.05286	1.5
123.04536	2.0
125.02435	9.9
129.01942	5.8
136.98822	4.3
138.05624	3.4
143.03488	5.5
148.99109	3.3
149.02469	2.1
152.07175	2.8
159.03053	3.5
161.04581	13.9
172.01030	2.5
192.95459	10.6
193.09758	3.1
194.08206	5.5
196.05809	6.3
205.03537	9.7
236.94408	6.5
237.00620	4.6
237.04182	3.2
237.06140	4.9
237.09529	6.9
238.06931	15.0
246.12856	1.6
253.12529	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	237.0771
Annotation	4-Epiradicinol
Peak:m/z	Relative Intensity
59.01397	1.6
65.00328	3.5
67.01901	2.0
68.99825	2.4
69.27389	4.2
69.27812	3.6
71.01386	3.0
72.99317	3.3
77.22569	1.1
78.01096	1.4
78.95920	1.2
82.00656	1.0
82.43522	1.1
83.01401	3.6
87.00901	1.6
95.01361	1.3
96.99342	1.4
99.00943	1.2
110.00139	3.4
111.00893	21.0
124.01684	8.3
127.00379	10.0
135.16100	1.2
136.98834	17.4
139.00395	22.2
140.01180	37.6
148.34515	1.2
154.99879	3.5
168.00664	73.4
169.01138	2.2
169.29518	1.1
176.01167	1.6
182.72466	1.1
219.06670	2.8
237.07709	100.0
238.08070	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	237.0771
Annotation	4-Epiradicinol
Peak:m/z	Relative Intensity
59.01386	1.3
63.60277	1.1
65.00330	2.1
67.01898	1.8
68.99827	2.7
71.01381	2.5
71.27663	1.2
72.99305	3.2
82.00600	1.1
83.01395	3.1
87.00896	1.9
96.99328	2.4
99.00916	1.7
110.00117	4.2
110.43801	1.2
111.00900	22.4
114.01620	1.1
119.29456	1.3
121.02964	1.4
124.01639	8.7
125.02451	5.0
127.00384	11.8
136.98820	15.2
139.00400	24.6
140.01173	36.7
149.09755	1.5
154.99876	3.5
164.98311	2.0
168.00658	69.9
169.01366	4.1
193.08714	11.7
219.03012	1.8
237.07701	100.0
237.14986	3.0
238.08064	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	237.1499
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.08996	0.6
59.01390	0.7
61.26302	0.6
61.28496	0.6
71.01355	0.7
71.87439	0.5
78.95912	0.6
83.05034	100.0
84.05368	1.6
92.99785	0.8
98.21810	2.1
98.22517	2.1
121.02922	0.9
153.09227	7.6
164.98347	0.8
177.12848	3.0
237.00357	0.7
237.04144	1.1
237.14970	23.9
238.15265	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	237.1499
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
54.00398	5.9
55.76583	5.9
59.01392	42.7
69.03470	19.9
69.10816	6.2
69.76827	23.6
72.44338	5.5
74.41648	5.8
93.06943	6.0
97.06617	45.1
98.21797	7.1
102.41304	6.1
116.92896	12.5
121.10217	9.0
123.00891	13.9
123.08185	41.9
136.94188	6.8
139.07645	11.7
147.11748	8.9
167.07199	6.7
175.14967	8.1
179.10732	12.6
237.14980	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	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
50.07605	2.1
59.01386	19.2
70.70908	5.5
80.02663	3.3
81.03467	4.5
104.14583	2.2
121.02950	3.2
123.08163	5.0
125.09743	10.2
125.66446	2.0
137.09760	3.9
165.12863	9.4
178.09985	2.6
179.10838	15.5
221.44417	2.2
237.14967	100.0
238.15329	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	238.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43761	0.5
58.02975	9.0
58.06693	0.6
60.29890	0.7
69.74465	2.8
83.53364	0.5
91.05541	0.7
93.03472	1.8
95.05022	1.5
107.05046	2.2
108.02168	1.3
115.94865	0.5
122.03743	9.7
123.04534	71.7
124.01682	1.1
124.04848	1.9
125.02443	2.9
135.04536	5.3
136.68213	0.6
137.02457	1.3
152.07088	1.3
154.02730	1.5
169.01425	2.0
191.54424	0.7
194.08228	100.0
195.08540	4.0
238.07230	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	238.9089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
69.49773	1.6
71.01395	0.5
73.98611	0.8
74.99387	6.1
78.95916	0.5
85.02966	1.1
87.00874	0.4
89.98109	1.3
103.74561	0.3
114.98655	0.3
128.96822	100.0
129.96896	4.3
130.96028	0.4
131.03464	0.5
134.34512	0.2
143.95459	0.4
156.94006	1.4
172.93423	1.6
178.96062	0.4
179.05589	0.4
182.91949	0.4
184.00150	0.4
184.93492	2.3
200.92966	4.4
210.91420	0.4
221.06665	2.5
226.90837	0.7
228.92488	0.4
238.90878	16.1
239.07756	2.6
239.90999	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	239.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50330	0.5
59.01390	1.1
65.00331	0.9
67.01866	0.7
67.86137	0.5
69.06393	5.2
81.03028	0.6
81.03484	1.9
87.00876	0.8
91.01936	1.2
93.03461	1.0
95.01389	2.7
97.02962	0.9
107.01408	2.3
108.02235	1.0
109.02975	0.7
111.00933	1.4
111.04535	1.8
123.00896	5.0
123.04552	1.2
124.01698	7.2
125.02441	5.3
126.02805	1.5
135.00916	7.3
136.01666	0.8
137.02452	1.5
139.00398	0.6
139.04001	2.0
152.01163	31.3
152.74878	0.6
163.00388	21.1
165.02034	0.9
167.03516	14.5
168.04010	0.7
169.01453	3.4
170.01752	2.1
171.01872	0.7
178.99898	4.6
180.00658	100.0
181.00969	2.5
195.02991	8.1
204.25211	0.6
206.99350	18.1
207.99860	0.9
223.02811	1.0
238.53130	1.0
239.01984	58.2
240.02351	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	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
59.96714	0.4
61.98787	0.2
70.11672	0.2
74.64334	0.2
74.99080	12.3
75.96217	0.6
78.11951	0.2
88.79697	0.2
91.02218	10.8
91.88715	0.2
93.00143	5.2
124.39960	0.2
149.00966	5.9
150.98874	0.3
192.30948	0.2
206.99701	3.3
221.11856	0.2
223.02850	100.0
224.02911	5.3
228.78761	0.2
229.41505	0.2
239.05832	0.8
241.03871	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	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	0.7
69.41228	3.8
77.63268	0.5
81.03475	2.4
82.39033	0.5
85.02988	1.2
85.71117	0.6
95.05039	2.3
97.06600	2.4
97.07859	0.5
98.21781	0.6
109.06622	3.8
124.85219	0.6
133.10274	0.9
135.08191	3.3
141.05598	10.3
142.05939	0.7
151.11292	3.0
152.11723	0.5
174.88622	0.5
177.09238	3.8
179.07127	1.1
182.62344	0.5
195.10278	35.8
196.10648	1.2
221.08279	1.3
221.66235	0.5
239.09265	25.0
240.09599	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	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93145	0.3
59.84256	0.3
70.55503	1.0
94.04234	0.5
95.05019	1.2
95.86446	0.5
101.06086	8.2
109.06605	5.3
111.08176	4.7
122.03809	0.8
124.95296	0.4
125.09732	1.0
135.11819	0.9
139.04028	14.6
140.04314	0.4
151.11275	0.7
153.60258	0.4
154.06372	34.8
155.06721	0.6
167.14429	10.4
168.14897	0.5
179.10786	5.9
180.11372	0.5
182.05844	3.5
194.99234	0.4
195.13913	100.0
196.14250	4.6
223.02831	1.3
239.06897	3.7
239.12886	5.7
239.16614	0.9
240.07025	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	239.1292
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.97615	0.7
59.01382	2.9
61.09526	0.8
77.32842	0.9
81.77730	0.8
98.22548	1.5
124.93699	0.7
177.12849	2.7
195.13911	100.0
196.14262	4.6
223.02853	2.8
228.63206	0.9
239.12927	8.2
239.16501	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	241.0721
Annotation	Tetillapyrone
Peak:m/z	Relative Intensity
50.98159	0.7
53.02364	0.7
55.61612	0.6
59.01387	1.7
60.32846	0.7
65.92609	0.8
71.26569	0.9
75.09847	0.7
79.91511	0.7
93.03487	0.8
95.01447	0.7
97.03001	1.3
109.02965	0.9
121.03059	0.7
123.00923	0.8
124.01717	1.6
125.02447	6.6
137.02461	5.6
139.00377	5.8
139.04057	2.2
141.01984	3.2
149.02466	1.5
152.04829	1.5
153.01958	18.3
154.02751	9.1
156.00737	0.9
163.00427	1.3
165.01944	7.4
166.99875	1.1
167.03528	3.3
168.00661	1.1
169.01485	3.7
169.05087	16.1
169.06544	0.8
178.02745	2.4
179.03520	1.8
180.00636	0.8
181.01437	56.7
182.02054	2.7
183.03067	1.6
193.01434	25.8
194.02158	1.5
195.02998	11.8
196.03786	23.1
197.04424	1.7
197.11887	1.3
199.09846	1.9
207.03049	3.7
208.03799	11.8
209.04518	1.4
211.02512	46.5
211.06055	16.8
212.02853	1.1
225.04074	3.9
226.04855	100.0
227.05264	3.6
241.03369	2.0
241.07193	59.0
241.10922	1.6
241.21693	1.1
242.07529	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	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
52.19822	1.1
52.43183	1.1
53.60790	1.0
54.60245	1.0
57.03440	3.1
59.01387	100.0
60.01702	1.3
71.04994	1.2
71.26473	2.4
74.63185	1.2
76.26402	1.2
83.05037	1.7
87.00887	1.6
95.55654	1.2
96.96033	1.4
99.04548	2.0
106.00568	1.0
109.06626	1.3
119.08672	3.9
125.02495	2.2
137.09731	7.6
141.05585	1.1
163.07707	1.2
169.01445	2.6
179.10806	4.7
181.08711	17.0
197.11858	40.1
241.10863	14.7
241.21695	2.5
263.74881	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	241.1811
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
52.84531	1.1
65.13048	1.2
71.28747	2.4
77.89262	1.2
81.87702	1.2
133.56355	1.3
171.48529	1.1
187.45428	1.1
202.04256	1.1
211.17049	21.5
223.17046	16.4
239.16531	1.6
240.35524	1.1
241.18098	100.0
242.18320	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	242.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04055	5.6
61.98819	5.7
71.25990	8.1
72.04533	7.7
78.95908	100.0
81.64284	5.5
82.02976	13.0
87.00914	8.8
96.95998	7.0
99.00903	6.4
100.04061	6.1
108.04579	22.4
115.00356	5.5
122.02468	11.2
128.03569	10.8
129.96919	7.1
152.99623	14.5
154.05107	9.4
156.31395	6.6
168.03000	8.2
168.04323	33.3
198.04105	20.2
242.00655	8.4
242.03101	16.4
242.08165	42.5
247.94843	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	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
57.49185	1.0
59.01374	1.0
66.03499	10.9
68.01412	1.7
71.01400	1.3
71.26698	1.9
71.27093	1.2
82.02987	33.4
83.01400	1.4
87.00896	1.4
94.02985	2.6
108.04551	2.6
110.02489	100.0
111.02065	5.6
111.02764	1.9
120.04561	1.2
122.02512	8.8
124.04080	4.0
131.07083	1.0
138.05722	1.0
140.03560	11.1
152.03537	18.2
153.03047	8.0
189.35785	1.0
200.05658	35.8
200.67343	1.0
243.06236	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0665
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
54.72805	1.9
68.49582	2.5
69.03462	53.0
74.27406	2.3
79.01898	10.2
81.03473	5.8
85.00442	5.0
85.02968	8.9
95.01394	16.3
97.02950	32.8
98.22360	14.9
107.01408	21.1
107.05035	4.9
108.02189	100.0
109.02981	46.8
110.03291	2.9
121.02966	39.2
121.03782	3.5
123.00895	20.4
124.01649	3.0
125.02470	38.0
135.00891	69.9
137.02463	62.4
141.07129	3.9
151.00400	4.2
152.01172	82.9
152.48880	2.6
169.06520	11.3
197.06097	62.8
198.06335	2.4
213.05586	15.4
215.07126	7.9
243.06609	49.9
252.43201	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	243.1028
Annotation	1,2-Bis(4-hydroxyphenyl)-2-propanol
Peak:m/z	Relative Intensity
61.80159	0.8
66.34516	0.7
85.00454	1.5
85.39159	0.7
93.03471	4.2
98.22163	5.6
106.04256	9.9
108.02193	4.0
108.57571	0.7
109.02956	0.8
111.00849	1.1
111.25481	0.9
116.99416	0.8
121.02979	1.7
122.03750	65.9
123.04030	1.0
125.02433	1.7
125.18927	0.8
137.02501	5.9
137.06096	99.9
138.03255	3.9
138.06444	1.6
151.03967	1.1
154.02748	2.8
157.64099	0.7
225.11346	0.9
243.10271	100.0
244.10573	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	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11459	0.4
57.03458	1.6
59.01385	58.2
67.01909	0.7
67.90722	0.5
69.03465	1.8
71.05017	0.9
71.26240	0.6
72.99316	11.0
81.03469	1.8
83.05054	1.8
85.06612	2.4
93.03476	2.2
95.05023	0.5
95.97671	0.6
107.08678	3.8
111.00895	1.1
111.04559	0.6
118.06623	0.6
121.10243	1.7
123.08176	0.6
125.02459	3.8
125.09744	2.0
131.01411	1.1
133.02946	1.3
135.04539	7.7
135.08159	0.9
137.09741	0.9
139.11301	3.7
151.11311	3.6
155.01183	0.5
155.03564	0.6
155.10820	3.9
157.23044	0.4
159.00912	0.7
161.02466	1.8
163.11263	0.7
164.07141	1.1
165.09280	0.7
169.01457	2.8
169.12398	0.7
179.03505	4.1
181.12370	1.9
183.10280	63.1
184.10580	2.1
187.00412	1.4
199.03960	0.8
199.13414	4.4
201.11339	100.0
202.11673	3.3
214.99953	0.7
225.11327	1.5
242.99409	2.2
243.03261	1.6
243.12390	12.5
244.00305	0.5
244.02776	1.5
244.12715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31161	1.3
57.03440	5.4
59.01384	73.0
71.25535	1.6
73.02940	5.2
79.95743	1.8
81.06474	1.4
83.05032	1.5
85.00430	1.7
94.02971	1.8
95.05048	1.5
95.12137	1.4
98.22164	1.6
111.00859	3.2
122.25805	1.5
124.04023	2.1
139.11308	52.7
140.11668	2.3
153.39000	1.5
154.99683	1.5
155.10796	3.4
163.11327	3.0
164.07063	1.6
165.09250	2.5
181.12369	33.3
183.10280	68.8
184.10596	3.6
187.00320	1.7
199.13412	21.1
201.11366	7.3
207.10268	5.6
214.74980	1.3
218.73248	1.6
225.11304	28.4
243.03001	3.2
243.12386	100.0
244.02901	1.7
244.12656	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
65.99217	1.4
69.16164	8.7
71.05011	4.8
73.65397	1.2
75.65215	1.1
83.05067	1.4
97.02967	6.9
97.06620	1.9
98.22515	1.6
99.00888	24.0
110.03745	2.1
121.70135	1.4
125.09753	6.4
142.02725	2.1
150.93346	1.2
153.12845	1.5
155.14417	2.4
159.44112	1.3
163.11317	10.6
181.12370	25.8
182.36577	1.4
199.13406	21.7
207.08311	2.6
207.10278	48.5
208.10658	2.3
209.76222	1.5
225.11336	100.0
226.11736	2.8
243.02910	3.6
243.06789	3.1
243.12384	85.4
244.12672	4.1
247.53468	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43872	0.9
69.68718	4.3
71.05012	2.1
76.53278	0.8
81.00252	0.8
83.05045	1.2
97.02970	2.2
97.06574	1.8
98.22128	2.6
99.00889	9.8
111.00904	1.7
123.08154	0.9
125.09716	2.6
142.02731	1.1
143.05066	1.5
155.14442	1.5
159.04507	0.9
163.04002	1.8
163.11299	5.5
169.12279	0.9
171.04509	3.0
173.02388	1.9
175.04088	1.3
181.12363	20.8
187.03992	2.6
197.11880	2.9
198.03188	1.0
199.04036	8.3
199.13416	43.5
200.13779	1.1
201.01909	6.9
207.10268	23.4
215.03496	3.1
225.11333	46.5
226.11604	2.0
228.91107	0.8
242.02141	1.8
243.02988	57.8
243.12376	100.0
244.03360	3.6
244.12703	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	243.1352
Annotation	Antibiotic X 1092
Peak:m/z	Relative Intensity
58.02981	69.2
59.01390	1.6
70.03297	0.7
71.01427	0.7
71.26450	1.3
72.00899	1.0
72.86434	0.6
74.02486	2.4
82.03000	2.9
84.04559	12.1
98.02501	0.8
100.07689	1.6
108.45967	0.7
110.02513	0.8
111.64959	0.7
114.09261	7.7
115.01897	1.1
124.04079	1.6
127.08813	3.0
128.03560	10.2
128.10905	0.9
131.24342	0.8
140.10817	6.8
143.01454	1.4
153.10371	0.7
155.11908	2.4
157.13475	31.3
183.11406	69.2
184.11708	1.7
188.51500	0.8
199.14546	16.3
201.12465	64.8
201.30775	0.8
202.12842	1.5
214.99879	1.4
242.99434	2.5
243.06703	2.2
243.13535	100.0
244.13771	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	243.1601
Annotation	TRIDECANEDIOIC ACID
Peak:m/z	Relative Intensity
60.77562	0.7
69.90435	1.8
115.05568	0.6
125.09730	0.4
127.11295	1.0
143.05035	2.1
145.02966	1.0
157.02989	0.6
159.04477	0.7
163.04004	0.8
169.12332	1.1
171.04517	3.2
173.02467	1.5
175.03961	0.8
187.03922	2.9
195.13750	0.4
197.02467	1.3
197.11804	1.4
198.03175	1.6
199.04007	8.3
201.01950	9.2
202.02217	0.5
207.13889	0.8
214.02762	1.1
215.03494	2.8
216.04195	0.5
225.15004	1.9
226.02751	1.2
241.14372	0.7
242.02196	1.9
243.02992	65.7
243.16017	100.0
244.03407	3.8
244.16379	4.3
248.71040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02218	0.6
67.61597	0.5
69.58606	3.2
78.45377	0.5
83.63463	0.7
85.00453	1.1
85.99017	0.6
98.21841	1.0
99.92622	0.7
124.04083	0.9
125.09692	0.6
166.69011	0.5
169.12311	0.7
181.16087	0.5
211.13374	6.0
219.48593	0.6
243.16025	100.0
244.16284	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	243.1602
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
52.19286	0.4
52.34589	0.4
57.12490	0.4
59.60635	0.4
64.01862	0.5
70.83359	0.7
70.83681	0.5
85.00434	0.9
87.53223	0.4
90.89992	0.5
99.53644	0.4
107.48624	0.5
111.00871	0.5
113.13737	0.5
125.09739	0.8
152.01210	0.4
199.07602	0.7
211.13463	5.3
225.11333	0.4
227.02394	1.0
227.89618	0.7
242.92036	0.7
243.16028	100.0
244.16391	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	244.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97036	5.0
72.00920	11.4
78.60178	1.1
79.95746	24.8
80.96525	16.6
95.97626	66.3
103.05549	1.9
110.45901	0.8
113.11059	0.8
118.06644	29.8
119.05051	1.1
119.07056	0.8
147.04541	41.0
148.04883	1.2
156.79488	1.1
164.07184	91.7
165.07561	2.1
172.48013	0.9
182.02885	1.7
190.28789	0.9
198.02263	2.0
226.01857	6.2
244.02858	100.0
245.03152	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	244.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17688	0.7
63.96225	1.9
64.97026	6.6
65.00327	2.3
70.73386	2.0
72.00914	13.9
79.95744	30.4
80.96523	16.6
95.97625	67.7
103.05546	1.4
118.06647	32.2
119.06976	1.1
121.02975	1.8
124.04072	0.9
145.02945	2.6
146.93385	0.7
147.04536	44.7
148.04866	1.1
159.04538	0.7
161.02504	1.0
161.06105	0.9
162.05630	1.0
164.07182	100.0
165.07512	3.0
183.37541	0.7
187.04033	0.9
189.01981	4.2
189.03539	0.9
198.02327	2.5
202.06100	0.8
203.07234	3.6
217.01421	6.4
226.01813	4.2
238.21678	0.9
244.02855	89.0
245.00912	7.7
245.03203	1.8
245.08195	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	245.0435
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.41157	0.5
56.87524	0.5
58.23777	0.6
59.01373	4.7
67.83687	0.7
69.91081	1.4
69.91472	1.9
71.01379	2.0
72.99301	1.7
78.95911	100.0
87.00887	1.1
88.98806	1.8
89.02451	1.5
92.92841	0.8
92.96004	1.0
94.92505	3.2
94.98055	1.1
96.96974	10.6
101.02454	2.4
103.00392	1.0
108.90200	4.4
117.00431	2.0
119.03528	3.7
126.11204	0.6
131.08266	1.8
146.93407	1.7
150.98022	1.1
152.99602	70.2
169.98622	1.3
170.97879	3.2
170.99298	1.0
171.00650	30.5
173.10434	1.2
245.04333	69.3
246.04562	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0457
Annotation	hispidin
Peak:m/z	Relative Intensity
69.23335	1.6
69.23751	0.7
83.01365	0.5
113.04008	0.7
115.05542	1.0
130.04247	4.2
131.05046	7.1
133.03004	0.6
135.04553	3.3
141.03510	2.2
143.05037	0.6
145.02977	0.4
158.03772	4.1
159.04539	100.0
160.04875	3.2
161.02512	0.7
172.05450	0.3
173.06097	1.0
183.04504	0.6
189.01901	0.3
201.05598	32.4
202.05956	1.1
245.00839	0.5
245.04596	11.9
246.04863	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	245.0458
Annotation	hispidin
Peak:m/z	Relative Intensity
60.19246	0.4
63.13836	0.4
65.00321	0.6
69.16056	3.4
75.51810	0.3
77.10989	0.3
109.03620	0.4
115.05540	1.1
129.07150	0.6
130.04254	4.6
131.05048	8.2
133.02956	2.5
135.04535	3.7
139.11285	0.4
141.03490	2.0
143.05040	5.9
145.06599	1.1
147.04433	0.5
155.05058	0.7
158.03728	4.4
159.04532	100.0
160.04865	3.0
161.02487	1.3
172.05299	1.6
173.06085	4.1
175.04033	0.4
182.03764	0.4
183.04544	1.5
200.04802	0.7
201.05592	36.2
202.05846	1.9
203.03596	1.9
203.05316	0.4
245.04558	22.4
246.04945	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	245.1185
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
65.00304	0.5
69.20013	0.6
69.20419	2.9
70.16333	0.4
79.05532	1.8
81.03460	5.2
83.05038	2.2
84.60977	0.4
99.00813	0.5
107.01374	0.5
119.08675	9.0
121.06617	2.8
122.03677	0.4
123.04543	1.1
131.14607	0.4
133.02982	0.5
135.08188	0.7
137.09715	0.5
143.08717	0.5
144.05835	0.6
145.06578	4.5
159.08182	0.9
159.11789	2.9
161.09729	100.0
162.10056	3.2
163.07657	25.1
164.07982	1.1
169.18498	0.4
185.09691	2.7
189.05571	2.4
201.12859	43.3
202.13113	2.1
245.04520	0.8
245.09300	1.0
245.11832	20.1
246.12050	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	245.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
65.00327	1.1
67.71375	0.5
69.07325	4.6
75.86577	0.5
76.42809	0.5
79.05532	2.9
81.03462	19.8
83.05040	1.0
87.96878	0.4
93.39165	0.6
107.01398	1.7
110.92056	0.5
119.08681	17.7
121.06618	3.8
123.04539	4.8
135.08142	1.4
136.05286	0.7
137.09731	2.2
145.06627	3.1
147.04553	0.7
159.11813	3.9
161.02596	0.5
161.09731	21.9
162.09946	0.6
163.07664	100.0
164.07980	3.0
165.54185	0.6
166.05118	8.2
183.13947	1.6
184.09030	0.7
185.09758	4.7
185.11748	4.2
189.05563	7.1
190.06227	0.6
201.12856	12.6
202.13228	0.7
203.10783	2.1
227.10727	1.8
227.12788	0.7
245.00992	0.8
245.04597	1.4
245.11835	66.9
245.13853	2.6
246.00702	0.6
246.12219	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	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31044	0.6
57.03444	1.1
59.01386	46.2
69.05255	5.5
72.15773	0.6
85.18699	0.6
98.22251	2.9
104.15621	0.7
113.09746	1.5
117.03442	1.0
125.09698	1.4
127.11321	1.3
139.11298	1.4
141.09285	1.1
145.02957	2.0
155.10852	3.2
157.12352	18.7
159.04605	0.9
161.02533	1.0
173.02478	0.9
185.11865	15.0
189.01933	1.2
203.12898	100.0
204.13251	3.6
217.01369	1.7
228.31198	0.7
237.50586	0.7
245.01031	5.6
245.04604	1.8
245.14006	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	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36674	0.6
59.01382	40.8
65.00336	0.6
66.84053	0.8
98.22549	1.5
107.69212	0.7
111.73702	0.7
124.93607	0.8
127.11308	3.8
139.11305	1.7
140.57338	0.8
143.19316	0.7
144.80566	0.7
155.10765	2.6
155.79420	0.7
157.12341	17.4
157.13535	1.4
159.18813	0.7
182.66605	0.6
185.11853	16.0
203.12891	100.0
204.13199	2.3
245.13954	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	245.1398
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
51.66196	0.7
57.03432	2.8
60.25353	0.6
69.07607	6.6
71.05019	1.1
88.84337	0.8
97.06609	0.9
98.21917	1.7
98.22556	1.4
102.34621	0.6
111.08145	3.7
125.09776	0.9
147.11806	0.8
151.91092	0.7
155.14444	2.6
165.12857	19.5
181.12387	1.2
183.13904	20.9
184.14188	0.9
201.14993	10.3
209.11853	15.2
217.01526	0.9
219.59648	0.8
225.11331	1.8
227.12909	56.3
228.13216	1.7
245.00938	1.6
245.13945	100.0
246.14218	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	246.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82639	0.7
58.02971	0.9
64.67213	0.5
67.19553	0.5
70.02984	9.1
71.28493	1.1
82.02995	1.4
83.01403	0.6
91.05552	1.1
98.02485	87.8
99.02773	0.6
110.02480	3.8
111.03272	100.0
112.03587	1.5
116.05069	1.7
118.06686	0.5
125.86377	0.5
131.05002	1.1
141.07109	4.5
143.05046	1.6
144.05759	0.7
146.06099	0.6
147.04543	10.0
156.08200	10.2
157.06593	3.0
158.09746	1.2
159.08165	5.1
161.67101	0.6
169.05400	1.0
172.07603	0.6
174.05571	1.3
175.07675	0.8
182.06113	0.8
184.07686	96.4
185.06107	1.5
185.08006	3.5
202.08743	57.3
203.08975	1.7
246.07729	18.6
246.98773	0.6
247.02470	0.9
252.91328	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	246.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.00597	2.0
59.01387	40.6
69.93743	1.1
69.94136	1.5
71.01389	28.4
72.01718	0.8
72.99316	100.0
73.99683	0.6
75.00882	4.8
76.92607	0.7
78.95911	2.3
84.02175	6.2
85.02956	6.0
87.00881	8.2
88.39433	0.7
89.02453	10.9
95.88013	0.8
98.98571	2.1
99.00900	6.8
115.00387	1.5
133.01457	11.2
136.94031	1.9
138.98055	0.9
152.45297	0.8
156.99101	69.2
157.99452	0.7
166.97545	11.9
170.97026	25.8
182.97057	1.1
184.98605	1.1
191.02011	1.0
192.91776	1.6
200.96210	0.7
200.98119	2.5
210.96523	12.3
228.97559	10.6
246.98636	35.7
247.93732	0.7
247.98999	1.1
258.70776	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	247.025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03507	0.4
68.98341	3.8
68.98745	0.6
74.88847	0.4
75.72616	0.5
80.82368	0.4
81.14424	0.4
87.77495	0.5
89.03950	0.6
91.05523	0.5
93.03472	0.9
99.87047	0.4
101.03986	0.8
107.05006	0.7
117.03442	1.2
119.05053	2.2
123.00924	0.6
125.02443	1.5
133.02907	0.6
135.04544	1.1
136.88116	0.5
145.02968	6.3
147.04570	3.0
151.00348	0.5
161.02477	2.0
162.23245	0.4
163.04007	1.8
163.51735	0.4
164.01292	0.4
166.61931	0.5
169.01466	2.3
171.02983	1.3
172.25185	0.4
173.02449	5.4
173.04620	1.0
174.03139	1.0
175.00417	1.5
175.04041	2.5
176.01128	0.7
177.01959	3.1
189.01875	2.0
190.02747	10.8
191.03520	20.7
192.03915	0.7
201.01956	3.2
203.03516	1.7
205.01434	0.9
217.01440	1.6
218.02214	2.6
219.03004	12.0
222.01672	2.4
229.01436	19.6
230.01694	0.7
247.02489	100.0
248.02840	5.5
264.98883	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	247.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25168	0.1
66.96576	0.1
68.81824	0.1
72.00882	0.2
75.24550	0.1
81.95302	0.4
82.96088	0.1
87.09675	0.1
91.05565	0.1
93.03458	0.3
95.97562	0.2
97.97195	1.2
97.97794	0.2
97.98064	0.2
98.22559	0.2
100.67295	0.1
103.05565	0.2
105.03461	0.4
107.05026	0.4
116.00340	0.1
117.03472	0.5
118.06622	0.1
119.05038	1.7
119.06944	0.6
121.03010	0.3
129.03465	0.2
130.04285	0.2
131.05048	0.2
132.02252	0.1
133.02977	0.5
135.04527	1.2
145.02968	3.1
146.03648	0.2
147.04536	3.5
148.01622	0.2
148.04884	1.0
149.02429	0.2
150.05344	0.1
157.02972	0.1
158.03709	0.2
159.04549	0.5
161.02414	0.6
163.04024	2.6
165.07535	1.8
167.07906	0.2
173.02455	4.2
174.03188	0.6
175.04004	2.8
176.01181	0.5
177.02048	0.6
189.01971	0.4
190.00972	0.2
190.02728	3.4
191.03519	13.6
192.00708	0.2
192.03853	0.3
201.01968	1.0
202.02672	0.2
203.03508	1.5
204.00710	0.1
205.01421	0.3
206.30365	0.1
217.01437	0.3
218.02287	0.6
219.03006	5.4
220.03348	0.2
228.70337	0.2
229.01521	0.6
230.02074	0.3
246.01686	0.6
247.02495	100.0
248.02837	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	247.025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00348	0.7
69.50919	2.9
74.11104	0.5
80.25988	0.6
82.74531	0.5
85.02901	0.5
91.05537	2.9
93.03482	1.1
95.01434	0.8
98.22340	1.4
102.04727	0.5
103.05561	2.0
105.03480	16.6
106.03756	0.6
115.05548	0.8
117.03444	1.4
117.55170	0.5
119.01398	0.8
119.05038	11.6
121.02984	2.5
121.06591	0.7
122.70820	0.5
123.00944	0.6
130.04312	2.9
131.05054	6.9
132.02202	1.8
133.02962	2.1
134.78551	0.5
135.04477	1.0
145.02971	3.1
146.03760	1.2
147.00903	0.5
147.04539	28.5
149.02443	1.4
157.02940	1.0
158.03734	4.3
159.04538	9.6
160.01697	1.7
161.02446	2.1
163.04030	1.9
173.02435	1.6
174.03189	2.0
175.04025	100.0
176.04369	3.4
177.01816	0.6
177.05624	3.4
177.85178	0.5
190.02771	1.9
191.03532	5.8
201.01947	1.9
201.34096	0.6
203.03525	65.4
204.03818	2.1
217.01421	0.5
219.03014	3.0
221.04562	5.2
229.01425	2.2
247.02496	37.5
248.02905	1.5
257.86206	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	247.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26374	0.3
74.60297	0.2
91.62464	0.2
96.95994	0.3
97.37422	0.3
105.03456	0.5
107.05044	0.5
117.03504	0.5
119.05035	2.1
121.02962	0.5
123.00865	0.3
129.03447	0.3
131.04980	0.5
133.02968	0.9
135.04533	1.0
145.02971	2.5
147.04529	4.9
149.02408	0.3
159.04529	0.7
161.02466	0.7
163.04039	2.5
173.02454	3.9
174.03210	0.8
175.04012	6.1
176.01176	0.4
176.04338	0.3
177.01971	0.3
189.01942	0.5
190.02727	3.6
191.03522	15.2
192.03844	0.4
201.01947	1.0
203.03526	3.2
205.01384	0.3
218.02153	0.7
219.03009	6.0
224.76216	0.3
229.01436	0.4
246.01677	0.6
247.02492	100.0
248.02792	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	247.025
Annotation	7-DESHYDROXYPYROGALLIN-4-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
62.37827	0.3
65.00321	0.9
70.53962	0.3
77.03983	0.3
89.04004	0.3
91.05539	3.3
93.03476	0.7
95.01379	0.6
101.03976	0.5
102.04772	0.6
103.05556	2.1
105.03469	15.8
107.05060	0.4
115.05540	1.3
117.03467	0.9
119.01407	1.0
119.05036	10.6
120.05378	0.3
121.02962	3.6
121.06618	0.4
123.04581	0.5
129.03487	0.6
130.04253	2.5
131.05046	5.1
132.02184	2.1
133.02968	1.8
135.04521	0.8
145.03020	1.8
146.03712	0.7
147.04535	28.2
148.04941	0.7
149.02455	1.3
149.06050	0.4
151.00317	0.3
157.02972	0.8
158.03758	5.1
159.04526	9.1
160.01709	1.6
160.04918	0.4
161.02489	1.3
163.03981	1.6
173.02461	2.1
174.03238	2.0
175.04012	100.0
176.01170	0.5
176.04396	3.4
177.01917	0.5
177.05589	2.8
185.02477	0.5
186.95697	0.3
189.02000	0.3
190.02754	2.1
191.03525	6.4
201.01958	0.6
203.03513	57.5
204.03915	1.8
219.02950	2.8
221.04567	5.8
246.01582	0.5
247.02483	58.0
248.02841	2.6
257.89398	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	247.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10093	0.4
71.26458	0.8
89.03982	0.5
91.05560	0.5
93.03477	0.6
101.03966	0.6
105.03500	0.6
107.05048	0.5
117.03473	1.0
119.05038	3.4
121.02986	1.2
123.00990	0.4
129.03477	0.9
133.02937	1.3
135.04533	2.2
135.08101	0.3
143.08908	0.3
145.02971	6.6
146.03764	0.8
147.00893	1.3
147.04549	6.5
148.01706	0.4
149.02422	1.0
157.02971	0.5
158.03741	0.3
158.98605	0.4
159.04510	1.0
160.01768	0.5
161.02452	1.5
162.03239	0.7
163.04030	4.1
173.02454	5.1
174.03172	1.7
175.00363	1.4
175.04021	5.2
176.01122	1.2
177.01917	4.2
181.00195	0.4
189.01944	2.0
190.02751	8.7
191.03522	24.5
192.03862	0.8
201.01979	2.9
202.02614	0.5
202.99855	1.0
203.03484	5.1
204.00624	0.4
205.01463	1.9
217.01440	0.9
218.02286	1.8
218.99693	0.5
219.03006	13.5
222.01665	2.7
223.02075	0.5
229.01440	11.4
230.01811	1.1
244.43849	0.3
245.42308	0.4
246.01482	0.6
247.02495	100.0
248.02843	4.1
249.14371	0.4
253.58116	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	247.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
59.01365	1.2
66.68249	0.9
67.01436	1.0
71.26447	1.2
73.02953	100.0
107.04984	1.2
116.73418	0.8
117.01985	1.3
117.71001	0.9
121.03017	0.9
135.81958	1.0
147.00891	1.6
164.44183	1.0
166.97453	1.0
173.02417	1.0
173.09741	1.6
191.03448	1.2
202.99931	1.6
203.14433	9.3
212.24706	0.8
240.45491	0.9
246.98808	3.0
247.02408	8.5
247.13419	41.8
248.13792	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	247.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
69.09467	3.0
69.09884	4.8
70.10752	0.8
75.53861	0.9
79.05499	1.3
81.03457	2.9
97.06592	2.6
98.22189	4.4
100.19240	1.0
119.05067	1.1
119.08662	1.4
121.06605	10.6
121.10243	2.1
137.09737	60.2
138.10025	1.6
147.00902	1.7
147.04587	1.7
147.08173	26.5
149.09741	2.1
151.11308	8.9
153.48967	0.9
161.13324	1.0
165.09203	5.8
169.42577	0.9
186.95686	0.9
187.11299	9.9
191.03421	1.5
202.99809	2.2
203.14423	49.4
204.14769	1.9
245.11813	3.3
246.98738	3.3
247.02498	8.9
247.13416	100.0
248.13721	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	247.1341
Annotation	Quadrone
Peak:m/z	Relative Intensity
55.88331	0.9
57.03457	0.9
67.20496	0.5
70.39697	1.4
81.03461	2.9
83.05043	0.7
93.03450	0.5
108.02176	0.7
119.96682	0.4
121.06601	5.4
133.06635	2.8
134.07384	0.9
135.08183	2.3
147.08192	0.8
149.09679	3.9
176.45042	0.5
187.11302	8.5
201.12837	3.5
203.03656	0.6
203.14421	76.7
204.14746	4.0
247.02589	2.7
247.13403	100.0
248.13731	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	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
68.99173	0.2
68.99501	1.5
100.55373	0.1
133.15439	0.1
134.75557	0.1
150.70192	0.1
202.99840	0.2
205.15997	0.3
220.16974	0.9
231.13974	0.4
247.02481	0.4
247.17041	100.0
248.17378	5.5
251.46024	0.2
257.59949	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	248.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24573	0.4
69.03490	1.3
70.80161	0.4
72.99325	0.5
79.01935	0.6
79.95760	0.7
81.03469	1.2
88.24811	0.5
96.96036	5.1
97.02972	1.5
123.00880	1.7
125.02459	69.5
126.02799	1.3
137.02629	0.5
169.01442	100.0
170.01784	1.8
204.98183	2.0
248.97099	23.3
249.97557	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	249.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
57.56235	1.8
58.37677	1.6
61.98825	3.5
68.96149	19.4
69.03451	5.2
72.99321	38.6
73.02935	5.2
74.98407	2.1
81.03455	18.3
83.01378	8.6
83.05038	21.0
85.03001	1.8
88.51337	1.6
90.36053	1.8
93.03458	5.7
97.02966	52.0
106.44154	1.9
108.02200	7.5
109.02967	71.4
111.04527	34.3
115.04031	4.5
125.02476	20.5
125.06089	2.7
127.04032	34.5
129.05614	3.4
131.08269	12.0
137.02469	5.4
141.05597	15.0
153.01938	2.6
155.03525	49.2
159.02988	3.1
165.89249	1.8
169.01456	36.6
170.01726	2.8
171.02942	3.0
173.10425	7.0
185.04567	84.5
187.06128	7.0
199.02521	36.7
203.05623	19.7
205.05139	2.1
215.63219	2.2
217.03516	20.9
231.05112	100.0
232.05518	4.2
248.97083	7.1
249.04085	2.3
249.06175	12.8
249.15001	2.9
250.14513	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03558	0.7
52.79323	0.6
54.99948	0.7
58.02981	5.6
66.35680	0.7
69.22546	2.2
69.22960	3.6
75.92104	0.7
88.04046	2.0
92.05076	4.2
98.22428	1.7
105.15697	0.7
115.70626	0.7
116.05058	3.5
118.06642	16.5
127.05130	0.7
128.05077	15.4
129.05360	0.7
131.03778	14.7
132.03073	2.2
132.57425	0.8
140.97087	0.7
144.04565	100.0
145.04890	3.0
146.06136	47.9
146.50406	0.7
147.06529	1.0
172.04057	10.9
175.04074	0.8
190.05112	63.3
191.05423	2.5
203.03510	2.0
205.05161	0.8
231.03029	3.0
249.00551	0.8
249.01617	0.8
249.04088	7.8
249.08807	2.8
249.12357	1.3
250.14557	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	1.6
62.71485	1.5
65.08687	1.4
65.09055	1.6
69.03456	2.5
70.16199	5.5
71.42334	1.4
74.22572	1.6
95.01345	1.6
98.22470	2.1
126.93093	1.4
127.07648	6.8
142.73692	1.8
150.51262	1.7
167.06845	1.7
181.12358	23.8
183.14053	1.6
201.08958	4.9
203.10594	11.2
205.12128	3.7
217.08348	3.7
219.10036	8.4
221.11559	3.2
223.13179	66.2
224.13576	2.5
233.08034	8.5
235.09514	20.0
237.11101	35.8
248.97021	3.4
249.11104	79.3
249.14854	9.4
250.11548	5.6
250.14481	48.1
265.10541	12.7
267.12158	100.0
268.12628	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	249.1134
Annotation	Trolox
Peak:m/z	Relative Intensity
57.34023	0.9
60.91436	0.9
61.98820	1.8
64.53175	0.9
64.53523	0.9
69.74814	1.0
70.36439	3.2
98.77125	1.0
122.01503	0.9
126.24205	0.9
175.07639	5.9
189.09259	8.4
190.10104	5.3
190.85339	1.2
193.08801	1.9
205.12344	1.9
217.08670	10.2
234.11247	1.4
249.11328	100.0
249.15126	3.1
250.11728	4.5
250.14462	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
61.98827	0.9
73.02953	15.9
78.29198	0.4
83.05075	0.5
98.21738	1.2
104.03606	0.4
111.08138	0.7
112.48797	0.4
115.81055	0.4
117.69536	0.5
127.98596	0.4
163.07697	0.9
175.11316	0.6
187.14929	1.0
191.07124	1.0
203.14380	3.7
205.12454	0.5
205.15984	1.3
218.11913	0.5
229.09204	0.4
231.13896	1.2
249.14980	100.0
250.14569	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	249.1499
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
51.73348	0.3
61.48548	0.4
63.28883	0.4
65.00325	0.5
69.49213	0.3
73.02952	7.1
83.05007	0.7
89.80259	0.3
90.75932	0.4
94.62640	0.4
98.21820	1.2
98.22511	1.3
125.48190	0.4
203.14366	0.6
205.12276	0.6
218.11890	0.4
228.75349	0.4
231.13899	1.3
234.11388	0.7
248.97093	0.6
249.14977	100.0
250.14598	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	249.1497
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
63.03575	1.4
69.79301	1.4
70.32629	2.0
73.02947	11.0
79.11945	1.5
79.96510	1.5
98.21744	4.3
101.50224	1.6
121.78036	1.6
205.12430	1.8
231.13879	1.7
234.11279	1.9
249.14961	100.0
250.14493	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	Sch 601254
Peak:m/z	Relative Intensity
53.42649	1.0
57.03457	1.2
59.81648	1.1
61.98838	1.0
79.95731	1.2
83.05032	2.9
85.24459	1.0
86.68876	1.0
97.06599	1.3
98.21822	3.1
98.22504	4.0
99.04536	1.0
114.91691	1.0
118.51225	0.9
123.48857	1.0
143.27916	0.9
160.98824	1.5
179.10780	5.5
203.14420	2.0
205.12379	1.9
218.11986	1.5
248.96892	1.8
249.04129	1.3
249.14980	100.0
250.14485	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	249.1498
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
51.28349	1.6
61.98825	2.6
67.01878	1.5
69.03452	5.8
69.25685	11.2
88.07219	1.6
98.21823	2.8
111.04575	1.5
134.26009	1.3
149.13457	2.6
150.91963	1.3
153.98100	1.4
163.24008	1.4
168.03297	1.4
171.11807	5.2
187.14940	7.6
190.85335	1.5
203.14545	2.2
205.15994	48.4
206.16237	1.9
218.11880	1.5
231.13831	5.1
234.11440	1.7
244.19925	1.4
249.14980	100.0
250.14500	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03434	0.7
60.99292	0.7
61.98825	0.5
69.77039	0.4
71.28178	1.0
83.05035	0.9
135.08223	0.6
149.09727	0.5
166.08054	0.5
171.11740	0.5
183.11824	7.1
185.13361	9.6
186.13638	0.6
187.11316	3.5
187.14920	0.6
199.11305	0.9
201.12798	0.6
203.14424	24.4
204.14746	1.1
205.12447	0.6
205.16002	1.8
206.71825	0.6
225.82620	0.5
231.13908	7.0
234.11345	0.6
249.14977	100.0
250.14546	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.15
Annotation	Deodardione
Peak:m/z	Relative Intensity
57.03470	2.1
58.79854	1.1
59.01384	23.7
61.98867	1.5
69.83712	3.6
69.84128	2.6
95.01402	1.6
98.22008	2.8
99.04533	65.2
100.04881	1.2
111.04533	12.9
121.06612	22.5
122.03752	3.6
137.09738	100.0
138.10069	4.6
149.09714	2.8
151.07584	1.4
151.26451	1.1
176.27620	1.3
176.98256	1.3
189.12807	2.3
205.12357	1.9
205.16061	2.4
218.11765	1.8
223.13260	2.3
234.11458	1.5
237.11026	1.3
247.13374	2.3
248.96907	1.8
249.11186	4.1
249.14964	42.8
250.14508	39.3
267.12128	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	250.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	19.2
59.01374	2.6
70.02989	7.0
72.00924	5.7
82.03746	2.4
91.05565	8.4
99.58784	3.0
106.68568	3.1
137.00407	2.5
147.04556	41.2
148.04863	3.3
159.97168	2.6
164.05872	6.0
164.07188	100.0
165.07550	3.7
206.08241	63.5
207.08571	3.4
250.06578	6.1
250.14510	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
69.11871	4.5
69.12264	1.2
70.02992	0.8
71.01389	5.9
79.41140	0.5
81.03557	0.5
84.55379	0.5
88.04050	85.6
91.05568	2.8
103.17196	0.5
114.01251	0.8
114.01979	5.1
115.00389	14.8
115.01176	1.0
132.03044	100.0
133.03474	1.0
135.04550	4.4
163.90491	0.5
181.26323	0.6
206.08263	2.0
218.11787	0.9
232.06328	0.6
250.07224	16.6
250.14481	15.8
251.07574	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	251.0927
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
50.84388	0.3
59.68192	0.2
60.55841	0.2
61.53269	0.2
65.00338	0.5
67.01903	1.0
68.71420	0.3
68.99808	0.4
69.03460	2.3
69.10721	2.6
71.01392	0.5
72.99305	0.4
79.01913	0.5
81.03470	1.1
83.01385	0.9
95.01405	1.3
97.02956	2.6
98.21795	0.5
98.22434	0.7
107.01427	0.4
110.00156	0.7
111.00895	4.0
123.00896	1.3
124.01613	2.6
125.02461	99.0
126.02781	2.3
127.00382	1.4
135.00929	0.5
136.98808	2.7
137.02431	0.6
139.00389	3.8
140.01183	6.3
154.99876	0.4
168.00647	2.5
169.01442	84.8
170.01781	2.1
181.01437	2.4
207.13971	0.5
215.25450	0.3
251.09271	100.0
252.09636	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	251.0928
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
51.18323	0.8
55.62929	0.8
59.01381	0.9
61.80606	1.0
65.00332	2.0
67.01876	2.1
68.99833	2.5
71.00350	2.0
71.01381	2.7
72.99303	3.3
83.01383	3.0
83.83270	0.9
85.34321	1.0
87.00916	1.0
88.96837	0.8
91.01888	1.0
106.00622	1.7
106.10820	0.8
110.00111	4.4
111.00896	23.5
123.00898	1.2
124.01634	6.7
127.00388	10.7
130.69168	0.9
136.98830	14.8
139.00391	22.7
140.01172	35.9
154.99887	2.0
164.04802	2.0
168.00652	54.5
169.01201	2.3
178.99869	1.2
207.10260	3.9
207.13980	0.9
251.09264	100.0
251.14548	12.5
251.16499	2.5
252.09673	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	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67537	1.7
55.01869	7.9
57.03436	7.8
58.00605	3.2
59.01384	58.7
59.86897	2.1
71.01389	100.0
72.99301	5.6
73.01157	1.8
73.02949	30.3
75.00856	2.9
79.95727	2.7
80.96520	7.9
81.03458	3.5
83.01402	15.9
83.05047	1.9
85.02958	49.7
87.00880	4.5
87.04507	2.3
89.02457	14.3
95.01406	7.2
98.16736	1.9
99.00875	16.4
101.02454	81.9
113.02452	36.8
119.03527	3.4
119.05053	2.2
123.04492	1.9
125.02473	3.4
125.06098	5.9
135.04483	4.5
139.00388	2.0
143.03569	3.3
159.02991	9.3
161.04581	39.2
163.02451	4.3
163.04002	2.3
165.00446	6.4
175.44931	1.6
177.01843	2.4
179.03471	4.0
179.99130	2.6
189.01981	3.0
191.03549	4.5
192.00642	2.1
207.01389	2.6
207.03061	7.2
207.06473	2.2
229.76823	1.8
250.99988	2.8
251.02187	9.4
251.05629	13.9
251.11316	19.3
251.14771	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	251.1291
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
58.15830	4.4
59.01384	18.0
65.13959	4.1
71.26687	5.3
71.27118	6.8
90.55948	4.0
91.01919	5.1
95.49056	4.1
97.60973	4.2
99.04538	32.3
100.12289	4.1
113.45950	4.2
118.84277	4.8
118.85262	5.0
121.06595	14.7
163.14984	11.5
189.12845	34.2
195.32658	4.4
207.13919	100.0
242.74435	4.4
251.12877	72.6
251.14934	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.129
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
54.25093	1.2
59.01374	4.7
69.03468	2.2
69.20278	12.0
71.16129	1.4
77.96454	1.2
80.02694	2.1
93.83889	1.3
97.02961	2.6
98.22538	2.6
99.04520	11.3
111.00839	3.0
121.06626	7.5
123.00907	2.2
124.01698	3.7
125.02458	98.8
126.02829	1.9
135.01801	1.4
136.98799	2.1
139.00392	3.7
140.01161	7.0
159.77975	1.5
160.17552	1.3
163.14957	3.0
168.00671	2.1
169.01440	78.8
171.11790	1.5
181.01411	2.0
189.12839	11.7
190.13159	1.6
207.13908	31.8
208.14316	1.9
233.11787	3.6
251.09242	100.0
251.12889	32.5
252.09592	4.7
252.13327	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	251.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	6.4
65.86553	5.3
66.96691	5.8
70.46642	15.4
70.46978	6.2
71.05022	76.1
76.56326	5.8
85.02963	5.6
85.87782	5.6
87.04523	100.0
115.79858	6.1
135.08214	9.6
135.24068	6.3
137.09682	9.5
137.34653	5.7
139.11302	34.3
147.81458	6.6
192.32988	6.1
223.02835	9.4
224.15620	5.8
244.58861	6.3
251.10838	8.6
251.14793	68.5
251.16620	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.129
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.48229	1.0
58.00570	3.9
59.01381	14.8
66.27395	1.0
69.23010	3.4
69.23440	5.8
70.60006	1.1
72.99290	1.6
73.02962	5.2
78.42262	1.0
83.05028	2.6
102.44537	1.0
103.57892	1.1
117.07123	5.3
127.95140	1.0
139.83127	1.1
169.10214	1.1
170.90271	1.1
171.11790	14.3
173.09685	1.6
175.11296	7.7
185.09808	1.4
187.11334	2.3
189.12711	1.9
191.10744	4.1
203.10788	1.8
205.12325	15.2
207.13945	2.6
233.11847	9.0
251.12823	100.0
251.14815	8.2
252.13161	4.8
270.92697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Hebelophyllene B
Peak:m/z	Relative Intensity
50.56310	1.4
53.15198	1.2
57.03459	7.7
69.51380	5.6
69.51796	2.3
87.04558	4.0
97.06641	1.7
145.29518	1.4
153.09270	1.7
163.00574	1.5
163.11330	8.4
207.17572	17.5
233.15479	21.5
251.16698	100.0
252.17027	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	251.1655
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
69.03419	1.0
70.60699	3.2
91.01894	1.9
94.92854	1.1
99.04542	1.2
107.08719	2.7
119.01422	1.0
135.00943	1.6
163.67285	1.1
197.76978	1.2
205.15988	2.1
206.99536	1.1
223.27560	1.4
251.16666	100.0
252.16975	5.8
273.87393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Rumphellolide B
Peak:m/z	Relative Intensity
57.03442	1.5
57.16541	1.1
66.09729	1.2
71.25516	2.1
71.25890	1.2
76.59432	1.0
85.06589	13.1
96.16378	1.1
125.09761	3.8
133.87524	1.3
135.00935	2.3
139.11310	12.1
151.11305	12.7
189.16499	5.9
191.14485	3.3
207.17567	40.2
233.15558	2.4
250.98334	1.7
251.16663	100.0
252.16983	5.5
268.27448	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	251.1656
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
50.82860	1.1
52.97020	1.1
57.03451	1.7
59.98513	2.2
60.19407	1.0
60.87559	1.1
69.03467	1.2
69.14688	8.1
69.15108	2.4
75.73277	1.2
85.43153	1.3
99.04534	8.7
121.10272	2.3
133.10310	1.5
171.67171	1.3
189.16513	9.4
207.17607	1.4
233.15448	2.6
251.16621	100.0
252.16899	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	251.1656
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
71.25723	23.5
110.90952	10.9
135.00945	13.9
165.09248	12.9
189.16545	21.2
193.08659	17.8
235.11623	13.0
251.14357	96.9
251.16599	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	251.1655
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
50.55035	0.8
53.32245	0.7
57.03451	1.9
71.01413	0.8
79.66206	0.8
79.95750	11.8
81.03450	1.3
87.04523	16.7
87.05026	1.4
90.90742	0.7
91.01910	0.7
93.16930	0.6
95.39249	0.8
98.21714	1.3
101.06120	1.1
121.02981	1.4
133.06653	2.3
135.08186	24.5
147.08177	3.8
159.08133	1.3
163.11317	11.4
171.26720	0.9
178.99950	0.7
188.11183	1.0
191.10875	1.9
205.12422	2.7
215.14430	1.0
217.12421	1.0
228.81750	0.9
233.15463	6.8
235.13422	13.3
249.14891	4.0
251.16632	100.0
252.07306	3.7
252.16943	3.8
263.11856	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	252.0736
Annotation	Neopterin
Peak:m/z	Relative Intensity
69.25201	5.4
79.95742	100.0
80.96527	0.9
138.44887	0.7
153.85701	0.7
188.11180	8.6
203.67163	0.6
252.07335	38.3
252.15022	1.1
253.07478	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	253.1083
Annotation	Aplysinopsin
Peak:m/z	Relative Intensity
59.01411	0.6
65.00333	0.7
67.01900	0.6
68.99818	0.4
69.01839	0.5
69.02248	2.7
69.03463	0.3
71.01379	0.9
72.99322	0.8
81.03456	0.3
83.01384	1.3
91.19862	0.2
95.01390	0.4
97.02962	0.6
98.21783	0.4
99.00919	0.3
110.00101	0.9
111.00891	5.8
111.01622	0.2
115.84721	0.3
121.03031	0.4
123.00882	1.3
124.01631	3.0
125.02460	21.9
126.02829	0.8
127.00378	2.3
136.98825	3.8
139.00394	7.0
140.01172	10.0
151.00410	0.5
154.99873	0.9
168.00655	6.5
169.01443	16.1
170.88365	0.5
180.17439	0.3
200.44809	0.3
209.15480	3.4
250.17297	0.3
253.10832	100.0
254.11177	4.6
256.26651	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	253.1448
Annotation	Russulanorol
Peak:m/z	Relative Intensity
59.01387	20.4
69.03452	4.0
70.94595	1.8
71.26510	1.7
81.03457	3.4
83.05070	2.9
87.00881	12.3
93.07140	2.1
96.96011	2.7
99.04536	2.3
102.11272	2.0
111.08194	3.1
121.02975	4.6
147.11842	9.4
155.07140	3.5
166.35219	2.0
171.10535	2.2
173.13368	100.0
175.11310	3.1
191.14340	2.7
193.12347	2.2
209.15504	5.5
235.13432	5.2
253.05005	3.9
253.14519	20.4
254.14717	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	253.1448
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
57.03439	3.4
59.01374	11.8
59.51702	2.6
71.01389	4.3
71.03736	8.2
83.05032	9.1
84.19090	3.4
95.05026	4.3
97.06596	6.3
98.03767	4.1
103.20608	3.0
109.06588	14.3
110.35467	3.1
111.04520	5.0
111.08171	12.7
113.09760	14.4
120.05760	3.4
123.08078	3.5
127.07611	7.2
137.09732	10.4
139.07619	3.8
141.09245	42.8
153.12860	3.0
154.10005	8.8
154.90901	2.9
155.10765	4.5
173.13406	3.0
176.69247	2.7
181.16006	4.1
184.07462	5.0
191.14429	100.0
192.14754	3.8
193.12352	4.9
209.15503	37.8
225.15263	3.1
235.13405	20.4
253.14478	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1448
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
50.51321	2.9
57.03432	5.2
58.00582	5.9
59.01383	53.0
69.03469	11.5
70.70808	2.7
70.89147	8.9
97.06599	24.1
102.72133	2.9
106.89197	2.8
109.06606	10.4
111.08173	75.4
111.08916	5.6
119.05121	3.3
121.06600	6.7
123.04636	2.6
123.08244	4.9
125.06155	6.0
127.07642	6.1
135.08197	10.1
136.98827	3.3
137.06108	3.4
137.09723	6.4
139.07674	10.7
141.05597	100.0
143.07152	14.5
155.07133	14.4
155.10791	5.6
171.06572	6.1
173.13371	13.2
191.14418	23.8
207.13977	4.0
209.11862	7.6
216.38548	2.7
225.97758	3.3
235.13405	18.7
253.14476	55.6
254.14905	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	253.1812
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
52.28086	0.3
57.03444	1.3
58.50637	0.3
60.64432	0.4
61.98829	0.9
69.03443	1.3
70.15313	0.9
70.15711	0.9
71.05021	0.9
73.02944	3.1
85.02962	0.8
95.05102	0.4
97.06590	0.9
116.67661	0.4
121.03013	0.5
130.34926	0.4
137.09767	0.7
170.88377	0.6
181.15942	0.9
183.12376	0.8
183.13907	10.8
184.14299	0.4
189.53250	0.4
193.15939	0.4
194.92792	0.7
209.15555	0.5
209.19121	5.2
225.15143	0.6
235.17029	0.6
253.18095	100.0
254.18436	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	253.1811
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
59.01365	7.0
62.84909	7.4
65.00323	5.4
73.48228	5.2
88.16541	6.0
98.21875	29.8
98.22558	12.7
105.57652	6.0
121.02973	11.5
136.98787	18.4
177.16469	8.5
182.03618	6.2
223.17067	8.8
228.85240	6.6
228.87186	6.4
253.14441	9.0
253.18117	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	253.2175
Annotation	omega-Cycloheptanenonanoic acid
Peak:m/z	Relative Intensity
57.90650	2.2
65.00321	3.7
69.47124	13.1
71.01389	33.6
72.02171	73.9
73.02956	2.9
87.04499	2.2
95.36505	2.1
98.03743	5.3
98.22448	2.1
104.01153	2.5
136.98827	8.5
158.72012	2.1
165.64565	2.1
209.19104	8.8
235.20683	62.5
253.21762	100.0
254.22173	2.9
273.49399	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	255.029
Annotation	Purpurin
Peak:m/z	Relative Intensity
56.80536	0.1
93.03475	0.2
117.03476	0.3
129.03477	0.2
139.05505	0.9
141.03497	0.4
143.05038	0.6
147.04634	0.1
154.04231	0.2
155.05052	1.1
157.02972	0.5
159.04562	0.2
161.02448	0.2
167.05037	2.5
169.02931	0.6
171.04536	0.9
182.03735	1.5
183.04521	5.2
184.04854	0.2
185.02472	0.9
187.04002	1.5
199.03964	1.9
209.02528	0.1
210.03197	1.9
211.04010	9.4
212.04401	0.4
213.01929	3.1
226.02734	1.3
227.03508	18.1
228.03827	0.6
237.02084	0.2
254.02316	0.2
255.02994	100.0
255.23288	1.9
256.03387	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	255.0666
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
63.02402	4.9
65.00327	7.5
68.01479	0.8
70.76818	1.6
75.67528	0.8
83.01402	7.6
95.01401	1.0
99.10571	0.8
107.01397	11.6
108.02221	1.2
141.07031	1.2
145.06616	6.1
151.00383	11.4
164.01183	1.5
169.06583	4.2
170.67871	0.8
171.04521	6.8
172.05278	2.4
185.06117	2.8
187.07687	2.6
211.07661	3.1
211.17017	1.3
213.05534	9.9
219.84586	4.8
223.18715	1.0
227.07137	1.6
255.06647	100.0
255.23296	13.1
256.07013	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	255.124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16743	3.8
58.33285	4.0
59.01388	35.9
70.78756	7.8
73.22441	4.4
75.46339	3.9
83.01401	46.0
83.05034	6.8
85.02962	4.3
125.09756	5.6
144.04440	4.3
171.10294	38.0
183.14026	5.0
193.12341	50.8
194.93018	4.3
196.60298	4.4
211.04074	8.9
211.13412	93.2
222.18607	3.9
227.03531	4.9
255.03035	58.6
255.12494	35.1
255.16040	35.6
255.23344	100.0
256.03342	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	255.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	1.2
59.01385	0.5
66.03483	0.8
98.02493	1.2
98.21743	1.1
103.04021	1.1
107.01410	1.3
110.06149	0.7
112.07701	10.1
113.08080	0.5
114.05618	100.0
115.05959	1.9
125.02455	3.5
125.24606	0.5
140.07195	27.5
141.10382	1.0
152.10834	0.8
169.01453	4.8
191.11946	1.0
195.11472	0.5
211.14528	16.6
211.16550	0.9
212.14922	0.6
213.12560	0.5
229.12769	0.6
254.99393	0.8
255.05127	0.7
255.13535	22.8
255.23271	6.7
256.13806	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	255.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40318	0.8
53.41534	0.8
57.03471	1.0
58.00592	8.7
59.01377	6.4
69.03448	4.0
69.22741	7.4
69.67323	1.0
71.01374	1.4
73.02576	1.6
73.02953	23.0
73.87888	0.9
74.99181	0.9
75.01574	0.9
79.63992	0.8
83.05031	1.8
92.93003	0.8
95.01359	1.4
95.05016	1.1
97.06589	5.8
99.08150	1.1
107.05057	1.2
109.06593	7.0
111.04601	1.0
111.08173	7.6
117.76478	0.9
123.08180	13.5
125.09779	1.4
127.07665	52.3
137.09671	0.9
139.07663	2.7
141.09221	12.7
152.91840	1.0
155.07138	1.8
157.08714	2.2
167.07162	1.7
167.08658	2.0
175.14891	1.4
185.08194	4.0
191.10880	1.2
193.15939	2.7
237.14993	16.8
237.37985	0.9
255.06821	3.4
255.16032	100.0
255.23293	22.5
256.16330	4.2
274.11765	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	257.0459
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
53.22828	2.1
65.00314	3.2
67.14520	1.9
68.99820	2.3
92.99826	10.5
95.01394	10.5
98.00106	13.4
107.01404	5.9
107.05048	9.3
120.99335	13.0
123.00925	5.0
141.07205	2.8
149.99579	3.4
151.00429	11.5
175.04051	3.0
185.06142	4.0
221.84224	5.8
229.05034	7.8
257.04575	100.0
257.17593	2.9
258.04761	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	257.0822
Annotation	Davidigenin
Peak:m/z	Relative Intensity
50.02746	0.3
60.23885	0.3
65.03969	8.2
71.26678	0.4
71.27045	0.3
71.31126	0.2
78.04082	0.3
85.38788	0.2
88.04035	0.4
91.01884	2.4
93.03470	4.3
103.78902	0.3
107.05036	12.4
108.02187	0.8
109.02962	9.4
119.04984	0.3
122.03768	1.9
123.04433	0.3
126.22713	0.3
133.02849	0.5
135.00914	2.6
149.02409	0.3
150.03214	1.0
151.04016	100.0
152.04352	2.5
153.01978	0.5
163.04024	1.3
168.41121	0.2
193.17488	0.3
215.86446	0.3
257.08200	12.0
257.13980	0.3
258.08530	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	257.0822
Annotation	Davidigenin
Peak:m/z	Relative Intensity
56.81469	0.3
65.03973	8.7
69.08219	1.5
69.08645	1.8
69.63853	0.4
91.01907	1.4
93.03479	4.5
98.22565	0.6
107.05040	11.8
107.05744	0.7
109.02960	8.6
115.92036	0.4
122.03746	1.7
135.00897	2.6
150.03264	1.2
151.04024	100.0
152.04340	2.6
153.02013	0.7
157.12349	0.7
163.04041	1.4
185.15514	0.5
213.09256	0.7
221.84171	0.6
257.08203	12.7
257.10907	0.7
257.13907	0.9
257.17575	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	257.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80169	0.6
57.03439	1.8
59.01385	55.6
60.37025	0.5
71.04984	0.7
72.99316	5.2
85.02974	3.6
97.63096	0.6
107.08691	0.8
125.09745	3.0
169.12387	3.4
171.13988	0.8
197.11839	17.3
198.12053	0.7
215.12894	100.0
216.13194	3.1
257.04617	1.2
257.13947	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	257.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66130	0.7
58.02982	61.7
59.01376	0.8
63.22936	0.8
69.03427	0.8
74.02470	3.4
82.02983	3.2
82.06614	1.1
84.04553	13.2
84.28748	0.8
93.29389	0.7
98.06123	1.2
98.22540	2.1
101.07211	0.9
117.03446	1.2
126.05683	1.4
128.03564	9.6
128.10829	4.1
129.03513	1.3
141.10352	3.4
142.12349	1.1
145.02953	2.7
151.33728	0.8
154.12402	6.7
157.02867	1.4
161.02217	0.9
163.03943	1.1
165.81041	0.9
167.11841	1.0
169.13483	1.7
171.15051	28.0
171.49318	0.7
172.15457	1.4
173.02461	2.5
178.68730	0.9
185.02481	2.3
195.11511	0.9
197.12967	81.7
198.13301	1.5
201.01990	4.6
213.01910	1.0
213.16197	17.1
215.14024	50.5
216.14436	1.5
220.33734	0.9
228.88283	1.2
229.01518	6.5
239.14156	0.9
257.00943	15.4
257.15097	100.0
258.01624	2.4
258.15521	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	257.2125
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
53.68254	0.3
57.03458	2.3
69.03459	0.3
69.71388	0.9
69.71797	0.6
98.22513	0.4
139.30464	0.3
168.23087	0.4
181.16052	0.4
192.76340	0.3
197.19113	6.7
204.34692	0.3
219.84554	1.3
220.84576	0.5
221.84253	3.2
239.20187	1.2
257.21237	100.0
258.21524	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	259.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78864	4.7
70.20954	5.6
70.79614	7.0
70.79961	11.5
75.88355	5.6
78.84811	5.2
78.95918	96.9
80.96519	8.6
88.98820	7.0
93.03490	5.6
96.96967	100.0
103.01907	6.6
107.05045	12.5
119.01308	6.0
131.01424	15.2
135.04462	25.9
147.00911	15.9
159.00964	10.5
175.00343	13.1
187.00485	24.5
202.99876	19.6
214.91960	9.3
214.99968	10.2
230.99396	26.9
258.90976	9.5
258.98904	55.3
259.02161	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	259.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46569	0.3
56.72057	0.3
70.59877	0.7
70.60220	0.6
71.01375	0.4
71.81075	0.3
72.99297	0.3
78.95914	95.5
96.96974	100.0
101.02446	0.8
123.02052	0.4
127.33780	0.4
132.03014	1.2
138.98038	6.3
140.24327	0.3
157.42706	0.4
168.99071	2.7
169.98657	0.5
171.00694	0.3
199.00159	2.8
223.00142	0.5
224.14159	0.4
240.29562	0.3
241.01292	2.1
259.02255	23.8
260.02448	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	259.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.3
59.01392	0.5
62.40155	0.4
63.64944	0.4
63.65304	0.3
69.51295	1.6
71.01385	0.7
71.54188	0.4
72.00896	0.5
72.99297	0.4
78.95910	88.2
79.95746	2.2
80.96538	2.0
82.02986	0.5
87.05644	0.6
93.03452	0.6
93.66657	0.3
95.97628	4.3
96.04517	0.3
96.96967	100.0
98.02477	0.4
99.89108	0.4
101.02454	0.6
103.92043	0.5
107.05032	1.4
119.05036	1.1
130.05101	1.2
130.08727	0.4
134.06123	1.1
135.04527	2.6
138.98033	5.6
163.04031	1.7
168.99112	2.9
180.06662	6.1
187.00735	1.3
199.00151	2.5
213.05182	0.7
215.00223	0.7
223.00261	0.5
229.08191	0.5
241.01198	0.9
258.99298	1.6
259.02225	21.3
260.02368	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	259.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52710	0.5
59.86639	0.5
67.01881	0.8
68.99817	0.5
69.03451	1.5
79.01891	2.1
83.57758	0.5
85.02959	0.7
95.01397	41.9
97.02946	0.7
98.21873	2.3
98.22559	1.1
107.01402	38.8
108.01742	0.8
123.00900	12.7
141.01920	0.6
151.00383	100.0
152.00723	2.3
169.01436	16.5
203.03513	0.6
240.86560	0.5
259.05142	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	259.0614
Annotation	Khellin
Peak:m/z	Relative Intensity
51.55103	0.4
55.01873	0.5
59.01386	0.6
65.00331	2.0
67.01875	1.8
68.99838	1.7
71.01394	2.3
72.99333	2.9
74.49674	0.3
78.01124	0.4
82.00606	1.1
83.01389	3.3
84.99328	0.4
87.00880	1.5
95.01395	0.8
96.99304	1.0
99.00873	0.6
106.00610	0.8
110.00108	3.0
111.00897	19.4
112.01264	0.5
112.98811	0.5
123.00921	1.2
124.01665	7.0
127.00386	8.8
136.98820	13.2
139.00391	19.3
140.01173	33.3
141.01471	0.8
154.99918	2.6
168.00662	44.1
169.01006	1.2
183.34966	0.4
215.07126	1.4
259.06131	100.0
260.06473	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	259.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	3.6
59.01385	87.8
69.03479	3.1
71.01378	4.8
71.05043	4.7
71.26627	5.3
72.99320	17.0
78.95920	6.8
81.03484	5.6
83.05069	3.3
85.40247	3.2
93.03479	2.8
96.96967	6.0
97.02991	6.7
97.06596	12.2
99.04507	14.6
99.08183	9.7
125.09746	9.8
126.03216	4.3
128.03584	5.5
130.08760	5.7
135.04518	6.0
137.08086	3.0
137.09720	31.0
153.09200	5.0
155.10803	34.5
180.06598	5.8
194.98845	2.7
199.09784	77.8
200.10075	2.8
213.01930	4.5
216.00670	3.5
217.10825	100.0
246.65254	3.0
258.99136	5.5
259.02274	22.8
259.08124	4.2
259.11880	11.6
259.99677	5.1
260.10394	6.2
272.58911	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	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.0
62.75297	1.2
71.26327	1.6
76.91098	1.2
99.95132	1.1
103.96860	1.1
111.39120	1.3
120.27619	1.0
127.11296	1.4
137.09741	8.2
155.10794	100.0
156.11133	3.2
171.10292	21.5
181.08701	1.1
199.09772	35.1
215.12955	3.4
217.10825	91.1
218.11192	2.5
258.98950	1.5
259.02362	2.1
259.11853	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	259.1299
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
59.01379	8.3
60.11800	0.6
70.02918	0.7
71.01369	1.9
71.06904	1.5
73.02939	3.5
78.95906	8.6
79.95725	0.7
82.02998	5.5
84.04533	2.1
85.02968	0.6
96.96970	8.7
100.04035	2.0
100.44390	0.6
101.07218	1.3
109.06593	1.5
112.04065	0.8
116.07198	1.9
127.05161	2.9
128.03540	14.1
129.10371	1.0
130.08748	100.0
131.09094	1.7
135.04460	0.7
138.98018	1.0
140.07202	1.2
141.10356	2.9
148.50856	0.7
154.12436	1.5
169.13487	1.0
171.15053	8.1
180.06764	0.9
180.10365	2.7
187.00484	0.7
189.01637	0.7
197.12956	19.3
198.13441	0.7
215.14127	1.9
227.10458	1.6
237.74733	0.6
241.11938	39.5
242.12421	1.6
258.99411	1.2
259.02432	4.1
259.13065	22.5
260.02463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1301
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
50.08626	0.6
56.41420	0.8
59.01370	2.8
61.59830	0.9
71.27227	1.4
71.94198	0.8
74.02467	3.0
78.95903	2.3
82.02987	2.7
84.04539	2.4
85.02957	1.7
96.96970	1.9
112.04067	1.0
117.69822	0.8
127.05128	1.6
128.03549	100.0
129.03888	1.2
129.10336	2.6
130.08749	77.6
131.04666	1.2
131.09102	1.1
135.04504	1.0
141.10320	2.1
153.10327	1.2
159.87941	1.0
179.03636	0.7
179.11902	3.1
180.10315	0.9
197.12978	9.2
203.77023	0.8
217.10805	0.9
223.10909	8.6
224.11156	1.1
241.11977	18.6
248.37477	0.8
258.99002	1.0
259.02304	4.0
259.13181	7.7
260.10394	2.4
266.15347	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	260.0236
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
50.16206	0.9
52.41741	0.8
63.96230	2.9
64.97031	10.5
70.95808	1.9
72.00919	8.0
79.95744	36.2
80.96524	16.7
93.03481	8.6
95.97622	78.4
96.96024	0.8
106.04284	2.1
106.92979	0.8
107.05020	1.2
119.05031	19.2
119.05828	1.7
120.72066	0.8
121.02987	1.7
133.05321	2.7
134.06136	27.8
148.04143	1.2
163.04024	30.9
164.04466	0.9
178.05109	1.6
180.06674	100.0
181.06995	4.1
198.02361	1.0
212.75694	0.8
214.01752	2.1
242.01294	4.3
255.70055	0.8
260.02347	96.8
261.02667	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	260.9655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64886	0.7
56.84713	0.9
57.03450	0.9
59.01370	1.7
59.12103	0.8
61.06253	0.8
70.02982	1.2
70.19380	2.7
71.01389	17.4
72.99311	21.5
75.14432	0.8
79.07194	1.0
85.02944	5.3
87.00896	2.4
88.98819	3.1
89.02448	3.6
90.62892	0.8
96.04570	11.7
99.00903	3.0
112.71687	0.8
115.00383	46.7
119.05006	2.1
123.42915	0.9
128.03537	2.2
129.01953	2.4
133.01442	100.0
134.01744	1.7
135.04596	1.7
141.01941	0.9
142.01494	3.7
152.95964	9.6
158.04602	2.1
160.06142	1.4
163.04044	2.1
170.97034	12.1
171.00618	1.1
181.05074	4.1
184.98630	2.4
186.96533	1.2
193.32507	0.8
199.00722	1.5
261.00394	7.6
261.07932	1.0
273.08847	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	261.0405
Annotation	2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
50.89628	0.7
53.53839	0.8
67.01886	1.2
68.99824	21.9
71.01373	3.3
72.99334	1.9
82.15952	0.7
93.03479	6.8
96.99329	4.3
104.69614	0.7
117.03472	8.4
119.05043	51.5
120.05427	0.8
123.00903	0.9
130.04233	1.4
133.02956	1.1
133.06601	1.5
143.05043	14.9
143.63736	0.8
145.02968	31.3
145.04138	1.6
145.06602	4.7
147.04536	39.5
148.04875	1.7
159.04573	6.5
161.02489	1.7
161.06099	55.0
162.06441	1.2
163.04025	1.8
171.04556	6.5
173.02464	3.1
173.06059	2.9
174.03220	14.1
175.03998	3.4
189.05592	38.7
190.05788	1.8
199.04030	1.4
217.05081	100.0
218.05498	4.4
261.04065	64.9
262.04379	2.6
262.49753	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	261.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
67.01884	2.2
68.99825	21.7
71.01379	4.2
71.25344	1.2
72.99281	1.5
74.02455	2.2
82.29832	0.8
93.03468	8.7
95.01400	1.1
96.99336	5.7
106.04245	1.0
106.70481	0.7
108.93719	0.7
109.02953	0.8
113.31612	0.7
115.00364	2.5
116.03565	1.1
116.94006	0.8
117.03476	9.6
118.03767	0.8
119.05041	49.4
121.02988	1.0
123.00904	1.2
125.02574	0.7
127.00341	1.5
130.04251	1.8
131.04997	1.9
133.03004	3.4
133.06564	1.8
135.04491	1.1
143.05045	16.8
145.02974	34.0
145.06627	7.0
146.03430	0.8
147.04541	42.5
151.00407	2.0
158.03703	2.1
159.04510	7.0
161.02486	4.7
161.06104	47.0
162.06459	1.6
163.04015	1.8
171.04562	6.6
173.02460	4.8
173.06081	5.1
174.03246	13.6
175.04018	3.9
187.04022	1.1
189.01939	3.2
189.05595	38.8
190.02722	12.0
190.05682	1.7
191.03410	1.8
199.03935	1.8
205.05104	1.1
217.01468	10.9
217.05064	100.0
218.02220	10.0
218.05418	3.6
233.00845	0.8
239.08522	0.8
246.01712	46.4
247.02013	2.7
261.00571	4.6
261.04062	78.5
261.13321	1.6
262.04419	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	261.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.4
59.77165	1.4
68.89182	1.3
69.68974	1.7
70.02972	1.3
74.02480	15.2
98.02507	4.4
103.31731	1.4
105.03443	1.7
109.02966	3.5
116.03575	7.6
117.03422	1.8
121.02954	1.9
123.00931	3.7
125.02509	2.5
130.04272	2.3
132.02190	9.8
132.04535	2.5
132.98326	1.8
133.02951	5.8
145.02980	9.8
146.03746	16.1
148.01691	2.5
151.00386	4.3
154.08214	1.4
157.02997	1.8
161.02443	14.6
161.06065	2.3
163.03883	1.4
173.02443	14.5
174.03235	100.0
175.03772	4.6
177.01949	2.6
185.02361	2.3
189.01939	3.6
189.05586	36.5
201.01956	14.3
201.06631	2.1
202.02733	78.0
203.03055	3.3
205.01477	2.0
206.02390	2.0
217.01610	2.8
217.05066	22.5
218.05350	1.9
220.03725	1.9
228.78247	2.0
233.00966	4.0
235.06131	5.7
246.01707	14.5
261.00491	14.7
261.04031	13.7
261.08667	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	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99992	0.4
54.32267	0.4
55.40342	0.4
56.08075	0.4
58.02967	0.6
59.01385	5.7
70.02983	9.4
70.81274	0.7
72.04556	4.4
74.02480	100.0
75.02803	0.5
84.04549	1.0
96.96082	0.5
98.02489	24.8
116.03551	54.8
117.03855	0.5
128.03555	6.3
130.08755	2.9
131.03828	0.5
132.04565	31.8
133.03011	1.3
144.04556	6.0
158.06111	0.5
161.02498	2.9
171.24078	0.5
173.07274	0.6
175.08832	1.6
189.01996	1.2
201.06694	12.3
201.11418	0.5
205.01479	1.0
217.01530	0.9
217.09850	1.1
219.07715	2.6
219.12465	1.8
222.22264	0.5
226.09447	0.5
233.00893	0.7
243.07693	1.1
261.00406	5.3
261.04474	0.9
261.08875	22.6
261.12961	6.2
262.09259	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	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90616	0.6
59.01377	4.2
69.11478	1.6
69.11890	4.8
70.02985	10.5
70.76010	0.8
72.04556	3.8
74.02481	100.0
75.02818	1.1
84.04575	1.3
90.59366	0.8
98.02488	23.4
109.60768	0.6
116.03551	57.1
117.03916	0.7
128.03563	6.1
132.04570	36.1
133.04887	0.9
144.04590	6.7
145.17326	0.8
166.98035	0.7
173.07227	0.8
175.08813	1.7
201.06725	11.9
215.06294	0.7
217.09839	1.0
219.07843	3.0
232.66058	0.8
232.99561	0.7
243.07899	1.2
261.08792	22.5
261.11536	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	261.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57516	0.8
57.03447	3.6
59.01385	34.2
63.75715	0.8
69.03439	1.3
70.42943	2.5
71.05022	1.7
74.02473	1.1
85.02960	1.4
85.06624	1.0
87.04525	11.4
95.05025	1.3
97.06590	2.7
101.06093	2.6
113.06081	1.1
115.07661	1.9
116.03562	0.9
125.09718	4.0
132.04611	1.0
143.10660	0.9
153.09218	2.4
155.10786	2.4
157.12357	3.4
173.11850	11.9
173.83859	0.8
201.11343	18.4
219.12390	100.0
220.12743	2.9
233.00937	1.1
261.00360	2.1
261.08829	1.2
261.13434	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	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
59.01375	2.0
62.74249	1.4
66.03465	1.9
69.03452	6.6
70.02975	8.9
71.01379	4.8
71.25276	1.9
72.99313	2.7
85.02960	63.4
85.03479	3.1
86.02484	1.7
87.04502	6.5
88.04053	1.5
88.98811	1.9
96.00906	3.1
96.04562	100.0
97.02974	8.8
97.04923	1.8
97.97186	1.5
98.02460	3.8
99.00878	5.7
99.04400	1.4
103.92102	1.6
109.02956	1.7
111.04517	2.3
112.04057	3.8
113.02440	1.5
114.05618	2.3
115.03989	3.2
116.71770	1.5
122.02538	1.8
128.03561	7.0
129.01935	14.5
131.01814	1.7
138.05527	2.3
139.03987	2.0
140.03488	4.0
141.01944	4.6
142.01469	40.2
144.02991	3.1
145.03162	1.4
158.04591	16.5
159.03003	3.9
161.30753	1.4
163.03992	2.3
171.98445	1.4
172.02502	4.4
191.03468	1.8
193.01405	2.3
202.03590	6.7
219.02922	1.7
219.05153	2.2
235.02544	1.9
262.02634	1.6
262.05624	6.6
263.01935	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	262.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.1
59.01370	1.9
63.53704	1.2
68.05083	2.0
69.03468	6.5
69.51894	7.0
69.52294	2.2
70.02991	11.9
71.01376	3.9
72.99311	9.3
73.99651	2.6
75.64066	1.3
82.02976	1.7
84.04527	1.4
85.02962	64.4
87.04514	8.8
88.98840	1.4
96.00941	3.2
96.04565	100.0
97.02957	10.2
97.04903	2.4
98.02490	3.8
98.21841	2.2
99.00887	6.8
100.03248	1.3
103.34409	1.2
106.61683	1.4
108.04562	1.4
110.02531	1.8
110.89933	3.8
112.04106	1.7
112.89676	2.1
114.01966	1.9
115.04018	4.5
122.02533	1.9
126.05655	3.2
128.03554	5.9
129.01968	16.9
134.04681	1.7
135.03040	2.4
138.05673	2.6
139.03999	1.5
140.03598	4.1
141.01973	5.7
142.01476	40.9
144.03043	1.9
158.04605	19.2
159.03043	2.8
172.02502	4.9
185.98822	3.5
202.03673	6.7
262.00613	4.4
262.05716	8.4
277.85797	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	262.0721
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
59.01388	1.0
66.06158	0.9
66.69341	0.9
71.01379	12.8
71.27455	1.2
75.98631	0.9
103.16993	0.9
106.06554	1.0
107.05075	1.8
109.01733	1.7
115.00386	22.5
117.03508	1.1
117.07097	0.9
119.05033	2.5
131.05049	4.8
145.02951	1.9
146.06133	100.0
147.04532	22.2
147.06442	2.5
156.08199	7.4
163.03928	1.5
165.01787	1.1
173.02452	1.5
174.09291	5.6
175.04030	1.5
190.02725	1.6
191.03508	13.5
199.19380	0.9
200.07188	9.8
218.08228	49.4
219.03017	3.6
219.08569	3.1
244.06161	1.7
262.00830	4.3
262.07224	50.7
263.01990	13.8
263.07584	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	262.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54077	0.2
59.01379	1.1
68.99829	0.9
69.03456	0.5
71.01384	1.4
84.04556	0.7
85.02973	0.4
87.02756	2.6
89.02446	0.3
95.01434	0.3
104.19514	0.2
126.83667	0.3
131.05385	1.4
133.06949	100.0
134.07274	1.7
175.04102	0.3
190.02365	0.3
219.02808	0.3
234.01421	0.3
262.00732	1.0
262.11200	7.3
263.02042	0.6
263.07819	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	263.0198
Annotation	Ancistroquinone E
Peak:m/z	Relative Intensity
56.78870	0.6
58.99591	0.6
59.01379	1.1
65.00339	0.6
71.01391	0.6
71.26328	0.5
71.26690	0.6
72.04034	0.4
89.03983	0.6
91.01917	0.5
91.05540	2.2
93.03468	1.1
95.95269	0.7
96.96028	1.5
105.71729	0.5
107.05045	16.2
109.22152	0.5
117.03497	3.6
119.05044	9.0
132.02209	0.6
133.02982	0.7
133.06955	10.5
135.04550	16.6
137.02458	0.8
137.06111	1.2
145.02971	10.1
146.03622	0.5
147.04553	5.3
148.01689	1.4
153.05598	14.1
161.02458	1.5
162.03128	1.0
163.00391	1.3
163.04033	11.1
164.04437	0.7
173.02446	7.6
174.03162	1.0
175.04028	2.0
176.01134	3.6
177.01933	1.0
189.01830	1.0
190.02748	13.3
191.03523	99.9
192.03888	3.4
193.01472	0.6
201.01866	1.0
219.03006	27.5
220.03357	1.4
221.08545	2.0
235.02478	1.7
263.01987	100.0
264.02377	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	263.0596
Annotation	sulfamerazine
Peak:m/z	Relative Intensity
56.91800	0.5
67.99407	0.5
79.95753	4.1
80.96535	1.0
88.65312	0.5
88.95786	0.5
89.03995	0.7
91.05547	1.5
95.95242	100.0
96.80708	0.5
96.96018	55.1
107.05043	12.8
117.03482	2.3
118.61210	0.6
119.05026	7.7
132.02205	0.5
135.04538	13.5
137.02441	0.6
137.06096	1.1
145.02972	8.7
147.04536	3.9
148.01682	0.9
153.05580	10.1
161.02437	1.4
162.03307	1.4
163.00633	0.5
163.04016	7.7
164.01558	5.9
173.02448	5.4
174.03268	0.7
175.03993	0.6
176.01154	2.9
177.01875	0.6
182.83990	0.5
183.10271	4.8
190.02731	9.4
191.03516	81.9
192.03886	2.6
193.01299	0.8
194.96457	0.5
196.00526	1.0
201.01988	0.9
219.03015	22.1
219.06839	5.4
220.03299	1.1
229.43430	0.6
230.63152	0.5
235.02496	1.1
245.04922	1.2
254.44446	0.5
263.01981	89.7
263.05951	86.0
264.02344	4.0
264.06247	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	263.0596
Annotation	sulfamerazine
Peak:m/z	Relative Intensity
50.58701	0.3
57.70969	0.4
64.06758	0.3
71.25372	0.4
79.95728	3.3
80.96524	0.7
82.52970	0.4
95.95243	100.0
96.96021	55.1
107.05014	0.6
118.63095	0.3
142.62743	0.4
145.02974	0.9
147.04506	0.5
151.07632	0.5
163.00513	1.0
163.04071	0.8
164.01495	6.6
173.02457	0.5
175.03979	0.9
176.01022	0.4
183.10274	4.4
191.03510	2.9
196.00507	1.2
204.11525	0.6
219.02994	1.6
219.06958	6.6
219.13882	0.9
235.02448	0.4
241.09596	0.4
245.00974	0.4
245.04883	1.2
263.02087	3.3
263.05957	93.6
264.02518	0.4
264.03552	0.5
264.06232	3.6
265.22858	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	263.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93450	1.3
55.27768	1.2
56.19624	1.3
56.37287	1.3
59.01378	3.2
59.43085	1.2
67.01889	4.2
69.03461	13.5
69.20231	9.3
69.20630	3.1
71.01405	2.5
83.05029	4.4
108.02209	2.0
109.06596	3.3
111.04575	1.7
120.05809	4.3
123.08163	1.8
124.99380	1.4
135.08093	1.5
137.09737	10.4
138.06804	1.6
149.09756	7.4
151.11302	31.7
163.11304	44.5
165.09212	4.8
175.07576	1.9
175.11324	3.3
176.08443	76.0
177.08868	2.8
177.12897	3.0
186.10486	1.9
191.14421	4.1
201.12924	14.1
204.11571	5.3
219.13911	100.0
220.14191	6.8
245.11853	1.7
263.12900	58.0
264.13425	2.0
264.16010	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	263.1291
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
57.03450	0.6
57.46955	0.4
57.70674	0.4
59.01389	0.7
69.01589	3.3
69.01997	0.8
71.01383	0.6
79.05536	0.7
80.02715	0.6
81.03464	0.5
82.73380	0.3
83.05038	1.0
94.81635	0.4
95.05015	0.5
98.22566	0.9
107.05052	0.5
108.02227	0.4
109.02972	1.2
109.06573	1.9
111.04530	1.6
119.08702	2.3
120.05827	0.5
121.06598	1.6
123.04536	0.5
123.08176	1.4
125.02436	0.5
125.06097	3.2
133.06531	0.4
135.08154	1.9
136.05312	7.9
137.09790	1.0
139.07657	1.0
147.08174	1.1
148.05318	1.7
149.06100	1.4
151.07687	2.0
152.08464	3.9
153.09242	0.4
159.11807	0.8
161.09750	2.4
163.07597	2.0
164.08360	0.5
166.06299	0.4
170.05894	0.7
171.08189	1.7
175.07625	1.1
177.12823	0.5
178.05098	0.4
185.09731	5.1
186.10512	2.5
188.08443	2.1
189.09213	7.4
191.03522	1.1
199.11336	0.5
201.12866	19.0
202.13106	0.7
203.10794	23.4
204.11563	57.4
205.11919	2.7
219.02994	0.9
219.13913	45.7
220.14233	2.7
230.09457	0.7
236.10605	0.4
245.11861	1.7
263.01917	1.1
263.12900	100.0
264.13220	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	263.129
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
57.70702	0.6
59.90874	0.7
71.05017	0.7
73.02961	0.9
79.05518	0.7
81.14375	0.5
81.71416	0.5
83.05044	0.6
109.02955	1.5
109.06598	1.5
111.04528	1.8
119.08653	1.5
120.05834	0.8
121.06628	1.3
123.04543	0.6
123.08177	1.0
125.06110	3.0
135.08167	2.1
136.05310	10.0
137.09729	1.5
147.08121	0.8
148.05292	1.2
149.06093	0.7
151.07643	2.3
151.69627	0.6
152.08421	3.3
159.11807	0.8
161.09723	2.1
163.07680	2.1
164.08476	0.7
170.05952	1.0
171.08176	1.7
173.13347	0.7
175.07652	1.0
177.12849	0.8
185.09712	4.9
186.10443	2.3
188.08437	2.6
189.09221	7.3
201.12868	18.8
202.13289	1.1
203.10803	23.2
204.11566	56.2
205.11893	2.5
219.13916	47.1
220.14262	2.4
228.67232	0.6
245.11832	1.1
263.12903	100.0
264.13260	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	263.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.8
69.44357	47.0
84.02176	41.6
98.22222	19.9
99.04541	14.3
101.22031	6.6
106.50954	6.8
109.06599	8.0
114.51421	7.1
114.96507	7.0
121.06596	24.0
123.04538	26.1
139.07654	100.0
175.14932	11.3
178.05026	7.9
179.52136	7.0
219.13947	32.6
235.96092	6.9
263.01898	8.1
263.12881	33.4
263.16553	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	263.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69622	1.2
51.99291	1.2
63.14418	1.4
64.21312	1.5
66.70840	1.2
71.01382	1.7
73.02958	73.7
75.96291	1.6
90.30582	1.3
90.43134	1.2
96.40428	1.3
97.02349	1.2
97.02967	5.3
98.21689	2.7
121.02989	2.5
123.04529	6.4
136.87650	1.2
139.07637	3.4
172.00003	1.4
173.93904	1.3
189.09230	72.1
190.09566	2.8
201.12917	9.0
219.13918	51.5
220.14270	3.2
237.47714	1.2
245.11749	8.2
247.13574	1.3
263.12906	100.0
264.13177	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	263.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.7
59.01369	5.2
69.03461	3.5
70.89339	4.5
71.01368	8.8
75.88536	2.2
77.62600	2.2
80.96485	3.2
83.05019	6.5
85.02937	2.7
94.99135	2.2
95.05050	2.9
97.02952	10.3
97.06582	3.1
107.05019	2.3
107.29119	2.1
108.05830	7.5
109.02933	5.8
109.06586	3.8
111.04559	13.9
111.08192	2.7
113.06080	8.9
119.08658	4.5
122.03766	17.7
123.08169	10.3
125.06106	15.1
126.83501	2.3
136.05280	12.8
137.06093	6.8
137.09717	2.9
138.06870	15.0
139.07649	29.1
148.05309	8.2
149.06044	4.1
151.07664	63.3
152.04781	5.5
152.07455	2.5
152.08467	32.0
153.09166	7.9
159.11804	3.7
161.09743	7.9
163.07693	11.8
163.11247	3.2
167.07144	3.1
170.05800	3.6
171.08183	2.8
173.09770	3.8
176.08421	5.2
188.08432	3.0
189.09198	7.0
189.12907	11.0
201.12856	32.3
203.10771	23.6
204.11555	54.1
219.13914	100.0
220.14230	4.5
245.11739	2.9
248.10713	2.4
249.01440	2.7
259.33209	2.5
262.26779	2.2
262.98132	2.6
263.09958	3.6
263.12878	41.0
264.16129	2.7
264.30338	2.5
264.34271	2.1
270.66199	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	263.1654
Annotation	[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Peak:m/z	Relative Intensity
55.32715	0.5
55.75846	0.5
57.03449	1.4
59.01389	0.9
63.76472	0.4
69.03458	0.8
71.01389	0.6
81.03464	2.3
83.05029	1.1
91.05515	0.7
93.03489	0.7
98.21797	1.1
98.22477	1.9
107.05043	14.2
108.05369	0.5
109.06602	100.0
110.06946	1.6
111.08158	1.2
125.09728	0.5
135.04526	1.1
136.05328	0.5
153.09230	6.0
171.10298	1.6
177.99426	0.5
201.12848	0.9
203.14400	1.7
263.16531	48.4
264.16913	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	263.1655
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
59.01385	23.8
61.98829	8.3
62.88129	3.6
69.24514	30.8
71.01398	7.0
79.87337	3.5
98.21765	7.8
99.04530	5.2
101.02431	5.3
119.57484	3.5
120.59356	3.6
123.85860	4.5
148.08942	5.2
163.11339	8.1
164.10017	3.5
165.12856	41.1
169.18642	4.6
185.18855	4.0
191.14461	18.2
200.13356	4.0
208.88120	4.0
219.13925	19.2
219.17531	15.8
245.15439	6.8
263.01950	7.0
263.13486	4.9
263.16559	100.0
264.16626	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	265.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47021	0.5
69.21003	3.6
72.24162	0.5
83.01373	0.5
96.96013	0.7
98.95608	2.2
105.63312	0.4
111.08825	0.4
114.00214	0.4
126.49274	0.5
126.76474	0.5
134.03804	0.7
137.02441	0.7
149.02449	1.1
150.03273	4.2
162.03252	8.3
177.01944	14.7
177.05591	0.6
178.02728	12.5
186.36415	0.5
190.99907	0.9
193.01436	1.7
193.05107	1.0
205.01456	0.9
206.02222	100.0
207.02599	3.3
210.01660	4.5
221.04567	38.1
222.04938	1.3
265.03397	8.6
265.05948	1.8
265.14456	1.0
266.03836	0.6
280.26962	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	265.0929
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
55.01867	0.7
57.03450	3.1
58.00596	1.5
59.01382	52.5
62.02904	0.6
66.39224	0.5
69.29494	5.0
71.01391	27.3
72.99302	2.7
73.02925	1.0
78.81345	0.5
79.53091	0.5
80.96527	1.2
83.01382	1.4
85.02959	28.6
87.00876	1.5
89.02451	28.9
95.01402	2.0
99.04527	0.7
101.02451	17.3
101.03117	1.1
103.04020	38.6
113.02461	9.5
115.66948	0.5
115.74965	0.6
119.03519	10.7
131.03479	1.1
137.02440	0.8
143.03481	1.2
145.05058	1.3
161.04584	0.8
167.58768	0.6
177.05547	1.3
179.05557	3.0
220.94215	0.7
221.04605	2.2
265.03632	3.1
265.09302	100.0
266.09653	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	265.1196
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
58.02983	4.0
58.22420	0.8
70.02979	1.9
70.60653	1.8
70.60979	0.9
70.87199	0.9
71.01382	1.6
72.00945	1.1
74.02477	5.5
82.03000	3.2
84.04545	6.5
86.02488	3.0
98.02487	1.2
99.05647	2.6
101.07221	11.3
107.02525	1.4
107.05032	1.3
109.04085	8.3
119.05048	9.8
127.05154	79.2
128.03557	10.6
128.05550	0.9
128.87022	0.8
136.07712	1.7
164.07271	0.9
178.08780	1.2
190.08720	1.8
194.65297	0.8
219.11435	3.5
221.13039	6.2
247.10905	23.0
248.11275	1.6
265.11957	100.0
266.12292	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	265.1238
Annotation	Juncutol
Peak:m/z	Relative Intensity
50.01174	3.6
61.98836	7.0
64.16222	4.1
86.75331	3.9
96.96027	54.1
100.01299	3.9
123.66611	3.8
153.08507	4.4
166.41705	3.4
245.09641	9.4
247.11331	15.7
265.03058	4.3
265.12357	100.0
265.14828	21.7
266.12711	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	265.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94754	0.4
56.57986	0.4
57.03459	3.6
59.10590	0.4
59.64433	0.4
70.91571	0.9
71.05025	12.7
71.64668	0.4
81.03448	1.0
83.05035	9.4
86.57548	0.4
86.93800	0.4
95.05025	1.6
97.06595	5.0
99.04517	0.5
105.92490	0.5
109.06602	3.5
109.26237	0.4
113.06070	0.9
121.06588	1.8
123.08179	2.9
126.12949	0.4
130.77632	0.4
133.06613	0.6
135.08183	1.4
137.09735	8.6
137.91891	0.4
139.80678	0.5
145.10324	0.5
147.08180	2.4
149.09676	2.3
158.37209	0.4
159.08054	0.5
161.09746	1.1
163.07663	0.6
163.11316	11.1
165.12912	0.5
167.03506	0.5
175.11319	1.4
183.11794	0.6
185.09718	2.0
185.13338	2.0
189.12811	1.6
199.11275	0.8
201.12834	1.9
203.10875	0.7
203.14426	7.4
206.90361	0.5
219.13905	20.5
220.14194	0.7
221.15488	13.7
222.15855	0.8
247.13371	3.6
265.14462	100.0
266.14764	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	265.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75951	0.5
55.01876	1.7
57.03456	1.3
59.01379	1.3
61.92364	0.6
67.05527	0.8
67.96323	0.5
69.03460	1.5
71.05022	7.6
80.02616	0.6
81.03458	2.0
81.07096	2.8
83.04536	0.7
83.05032	10.2
85.02966	0.9
85.06611	3.1
87.04522	1.1
95.05044	4.4
97.06573	0.8
99.04539	1.5
99.06806	0.6
105.07117	0.8
107.05048	2.6
109.53132	0.6
110.62106	0.5
111.04530	0.7
119.05057	1.7
121.06612	18.3
123.08176	100.0
124.08505	2.4
135.08182	0.7
137.06062	1.2
137.09726	2.8
149.09769	1.0
151.11275	1.7
165.50909	0.6
167.07152	43.3
168.07484	1.2
185.13300	0.6
203.14409	1.8
221.15517	6.2
228.90416	0.7
265.14465	41.8
266.14825	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	265.1446
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
59.01334	1.0
63.65588	1.2
64.93539	1.1
68.99450	2.1
68.99855	9.8
71.01380	1.3
78.95893	1.1
85.18786	1.0
96.83389	1.2
97.02969	4.5
98.21919	4.0
98.22572	2.4
109.06625	1.4
110.06934	1.3
131.61884	1.0
132.44600	1.2
141.09213	1.8
144.83147	1.1
151.07681	10.8
163.74805	1.0
171.39130	1.0
175.14938	1.6
203.14441	3.1
221.15482	100.0
222.15857	4.3
265.14410	6.8
277.91425	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	265.1448
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
52.62720	1.9
59.01382	1.9
59.05457	1.5
62.84405	1.7
70.33804	1.7
70.42058	5.0
74.37151	1.7
75.44712	1.8
81.22353	1.6
95.99332	1.5
96.95971	1.8
118.44180	1.7
221.15491	100.0
222.15883	5.2
246.41566	1.7
265.14337	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	265.1448
Annotation	Rugosal A
Peak:m/z	Relative Intensity
56.17968	1.3
57.03454	51.7
71.26321	2.2
75.93923	1.6
76.67834	1.2
78.39043	1.2
79.05087	2.5
79.05537	34.2
83.05020	10.9
85.02956	2.1
96.95990	2.8
97.37394	1.5
99.04507	1.7
119.08675	12.8
121.05967	1.2
121.06637	13.7
123.04547	12.6
129.07121	32.7
130.07426	1.7
135.11761	1.7
137.09737	10.2
145.10243	63.1
146.10556	3.0
161.09668	1.6
163.07658	5.9
163.11284	9.6
169.10202	3.4
177.12848	22.8
179.14375	1.8
185.13347	16.4
187.11234	2.0
189.57410	1.7
199.30882	1.3
201.12900	1.5
203.14418	7.6
203.42946	1.3
205.12343	2.3
207.10249	3.8
219.13875	6.9
265.14471	100.0
266.14761	4.4
278.49133	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	265.1812
Annotation	4-O-Methylzedoarondiol
Peak:m/z	Relative Intensity
52.25552	8.6
59.01378	16.3
65.00316	9.7
70.23014	31.8
72.40987	10.9
98.21863	13.6
99.92603	11.0
135.21478	10.9
144.41481	10.1
146.74902	11.1
166.18303	10.1
167.10803	42.5
195.10240	17.0
210.25871	10.2
235.66167	9.6
247.17125	13.2
256.84506	9.2
261.36789	9.8
265.15082	17.0
265.18100	100.0
266.18106	13.1
282.23877	9.3
289.08963	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	266.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
68.98035	4.2
68.98457	2.9
70.03000	0.9
71.01385	10.0
72.61969	0.6
86.87742	0.7
88.04046	96.5
89.04385	1.1
93.03470	0.6
96.99330	0.8
98.22475	1.3
99.23198	0.6
107.05058	2.0
108.96143	0.7
113.02467	0.7
114.01965	6.1
115.00388	16.0
121.71715	0.7
123.04545	3.3
126.24133	0.8
132.03038	100.0
133.02901	4.9
134.04738	1.5
135.04512	0.8
150.05606	4.3
151.04022	8.5
152.53386	0.6
194.05428	1.4
222.04881	1.9
222.07655	3.6
245.49261	0.7
266.06689	25.0
267.07190	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	266.0897
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.96230	0.4
66.70096	0.4
71.25407	0.7
92.02571	1.6
107.03649	6.3
111.29630	0.4
116.81313	0.4
134.04744	100.0
135.05095	1.8
266.06375	0.7
266.08972	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	267.0725
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.47305	0.7
55.01890	1.2
57.03463	5.0
59.01383	25.3
59.73474	0.8
69.92208	1.9
69.92601	1.8
71.01389	37.2
72.99311	5.3
73.02945	2.4
74.99093	0.8
75.00883	17.2
78.95910	0.9
82.06435	0.8
83.01406	1.9
85.02958	37.7
87.00883	21.3
89.02454	12.0
92.92805	6.8
95.01370	5.0
97.03006	0.9
99.00892	9.7
101.02470	3.2
103.00366	2.3
105.01961	5.5
113.02460	45.0
114.02850	1.0
115.00365	1.2
117.01933	4.4
119.03568	1.2
122.54103	0.8
129.01964	1.4
131.03569	1.3
169.98604	1.3
175.02512	1.5
191.01866	1.4
191.54095	0.8
204.94182	0.9
207.05180	2.0
214.02385	1.7
231.05208	0.9
237.06204	1.6
248.30713	0.8
249.06189	6.2
267.07236	100.0
268.07623	2.7
278.19711	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	267.0724
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
53.21229	1.2
55.01897	1.5
57.03445	4.4
58.00599	2.0
59.01384	84.1
61.64553	1.2
61.98827	3.4
62.08458	1.2
71.01387	39.1
71.25118	1.9
72.99305	9.6
73.02957	3.0
75.00880	18.0
83.01365	1.7
85.02962	34.0
87.00883	37.4
89.02460	11.1
95.00822	1.3
95.01390	4.4
99.00898	10.2
101.02460	4.9
102.94408	26.2
105.01963	5.3
109.02972	1.3
111.00906	1.9
113.00137	4.3
113.02467	41.7
115.00403	2.3
117.01960	2.8
120.99668	1.9
124.96498	2.3
129.01974	3.5
131.03555	1.4
133.50954	1.3
135.04532	1.4
137.02473	1.3
138.03249	4.0
142.97536	26.7
150.39153	1.2
156.99130	4.1
166.97551	1.8
168.95526	2.1
175.02489	1.9
179.03638	2.9
179.07130	7.4
180.93130	24.9
186.96529	10.1
191.01988	2.7
204.93123	12.2
204.98189	1.2
205.05226	1.8
205.07152	1.3
207.05223	1.5
222.94182	8.5
223.06036	1.6
224.92113	18.9
238.93613	1.5
248.92209	3.1
249.06215	4.2
265.61551	1.3
266.93140	13.8
267.07269	100.0
267.16144	1.9
268.07642	2.2
268.91187	3.6
284.94318	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	267.1004
Annotation	Loxoprofen sodium
Peak:m/z	Relative Intensity
52.94510	0.3
59.01380	1.0
70.43596	0.5
71.01392	0.4
75.68159	0.3
78.95911	100.0
79.39340	0.2
95.14659	0.3
96.96971	18.0
113.02444	0.4
134.04752	0.8
135.05063	0.9
151.04079	0.3
185.23462	0.3
267.10034	40.5
268.10425	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	267.1241
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03451	3.0
59.01382	100.0
69.42845	6.3
71.05031	6.3
73.02962	1.0
79.95750	3.7
81.07096	3.9
81.97140	0.9
83.05027	2.1
87.00865	2.1
94.18894	0.9
96.96074	1.2
97.06679	0.9
99.04539	1.3
103.06458	0.9
107.57452	0.9
109.06623	1.2
137.09721	2.3
161.13361	2.9
163.11241	1.0
169.01379	1.3
169.77733	0.9
177.13058	1.1
187.11172	0.9
205.12299	1.1
205.15965	9.0
207.10347	1.9
223.13402	41.4
224.13812	2.2
236.09587	2.5
249.15056	1.6
251.07095	2.3
267.12549	4.0
267.16043	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77424	1.4
57.03459	7.1
59.01368	4.2
69.03444	7.3
69.19890	11.2
71.05009	6.7
73.02936	2.4
81.03436	1.8
83.05018	6.2
85.06599	14.0
87.04512	22.5
93.36717	1.6
97.06637	1.7
99.04510	5.2
111.08163	2.1
114.96226	1.6
119.08686	1.4
133.10219	6.7
135.11800	14.2
137.09746	4.0
140.69630	1.5
144.64719	1.5
148.45334	1.4
151.46945	1.4
153.12782	2.8
161.09727	1.7
179.10754	8.7
191.14543	2.8
193.15915	1.9
197.11775	2.9
205.16069	2.8
221.15430	2.7
223.13458	2.0
223.17009	4.9
229.44716	1.6
249.15030	2.2
263.30737	1.6
267.16013	100.0
268.16373	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	267.1604
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
51.50458	0.8
54.55229	0.9
70.30270	1.0
70.62181	1.7
82.56372	1.2
121.02952	1.7
123.08173	1.3
141.09241	2.4
205.15997	2.7
223.17050	100.0
224.17416	5.2
267.16031	8.5
268.16229	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	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.9
59.01382	5.6
69.03461	3.4
71.01357	2.0
71.05018	3.7
71.28378	5.1
77.47242	2.5
77.69185	2.3
79.05511	3.0
81.07063	2.8
83.05023	8.0
85.06575	5.7
87.04521	62.0
99.04501	4.5
107.05031	2.2
109.06573	2.5
112.84739	2.0
115.03983	2.6
117.13316	2.1
119.08667	28.4
123.08138	2.4
135.08156	3.1
135.11850	4.2
137.09697	7.7
149.09749	2.4
152.55806	2.7
161.40523	2.4
163.14929	5.7
173.13400	2.3
175.14925	41.0
179.10707	6.2
185.11826	9.4
185.13344	2.8
187.14931	76.0
188.15326	4.3
193.16022	3.2
205.15965	24.5
221.15453	4.5
223.17119	5.4
231.13977	2.9
234.72092	2.6
249.14888	2.9
267.12878	5.4
267.16013	100.0
268.16351	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	267.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
58.81231	0.4
69.03455	1.9
75.29828	0.5
83.05052	3.9
85.06598	11.5
87.04515	1.6
95.05043	2.9
97.06551	0.5
102.38242	0.5
111.08201	0.6
119.08678	1.4
121.10232	1.4
123.08198	1.4
135.08183	2.0
135.11821	0.9
137.09747	1.0
139.11307	23.7
139.18614	0.6
139.50473	0.5
140.11630	0.9
151.10439	0.4
151.11339	4.1
162.10570	1.4
166.02443	0.5
167.14391	0.5
171.11745	0.7
175.11281	0.5
179.10794	0.9
179.14400	0.5
187.14920	1.0
189.12909	4.1
205.15985	23.0
206.16257	0.8
213.01469	0.5
223.17049	8.7
249.14919	3.3
261.19208	0.5
267.16031	100.0
268.16403	5.9
272.84589	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	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.6
59.88795	2.1
60.99301	5.7
67.05579	2.9
69.03453	6.4
71.27328	3.2
72.01157	2.3
83.05021	8.6
84.05253	2.4
95.05030	2.2
96.96033	6.9
97.06598	5.4
109.06615	3.3
113.02464	6.2
119.08696	9.3
121.06625	3.2
131.08624	2.6
137.09749	32.0
138.10083	3.1
150.87779	2.8
151.11272	4.1
153.12874	76.9
154.13152	2.4
171.13934	8.8
185.11909	3.9
197.11845	39.7
205.16049	2.2
221.15619	3.2
222.53885	2.3
223.17068	6.0
237.15115	2.6
267.06680	3.0
267.09399	3.2
267.16052	100.0
268.16354	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	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95135	0.6
57.03453	0.9
60.54645	0.5
65.10327	0.5
69.03434	0.9
70.55682	0.6
70.89792	1.4
71.05023	4.3
83.05025	1.2
85.02976	1.2
85.06115	1.1
85.06595	12.7
87.04521	1.4
87.12354	0.5
96.92850	0.5
111.08217	0.8
113.02452	1.2
123.08147	0.9
125.09739	1.7
126.36376	0.7
127.54215	0.6
139.11272	0.8
149.13338	1.5
151.11290	4.1
153.12831	1.6
157.19740	0.6
160.31786	0.6
164.80978	0.6
167.14426	60.9
168.14723	3.0
205.16037	3.7
211.13506	1.0
223.17039	2.8
238.53574	0.6
249.14975	7.9
262.01541	0.6
267.16019	100.0
268.16324	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	268.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.60904	0.4
62.85530	0.3
69.03455	1.2
71.01382	2.6
73.02943	0.8
79.01889	0.6
81.03466	0.9
83.01396	1.0
85.02963	0.8
95.01388	0.7
97.02969	1.2
98.22134	2.3
99.04528	2.3
101.02477	1.5
103.66833	0.4
107.01374	0.6
113.02449	1.2
116.07185	27.2
123.00918	3.0
125.02460	100.0
126.02785	2.3
130.44098	0.4
138.03244	0.4
142.05113	41.9
143.05432	0.6
150.01973	1.8
151.00374	1.6
161.04771	0.4
165.83836	0.4
168.03032	2.6
180.03027	1.3
206.08212	4.3
224.09317	11.0
225.09625	0.6
241.01448	0.4
250.07196	0.6
255.71472	0.4
268.08286	22.1
269.04553	0.9
269.08499	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	269.0458
Annotation	Galangin
Peak:m/z	Relative Intensity
51.95415	0.7
52.68348	0.8
62.96406	2.4
65.00316	0.6
83.01388	0.8
88.53156	0.7
98.22353	3.4
107.01385	0.7
108.02165	0.8
110.70251	0.7
115.05523	0.9
117.03503	0.8
120.20020	0.6
135.00824	0.7
139.05531	1.0
141.07170	1.0
143.05045	1.6
152.01149	2.1
155.04993	1.0
166.91858	0.7
169.06586	2.7
171.04527	2.4
185.06018	1.1
195.04555	1.6
197.06091	2.3
199.03906	0.8
211.04036	0.8
213.05586	1.9
213.91516	0.7
223.03960	1.9
227.03563	1.6
237.18213	0.6
240.04280	0.8
241.04987	1.1
269.04568	100.0
269.21225	1.4
270.04956	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	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	13.5
57.03447	8.2
58.00601	2.5
59.01384	57.7
71.01389	100.0
72.99308	4.2
73.02950	36.9
83.01392	19.3
84.94495	1.8
85.02959	57.7
86.00107	1.8
87.00882	3.6
89.02480	4.2
95.01389	5.5
99.00893	15.0
101.02450	80.4
106.06116	1.9
107.05035	2.3
113.02460	43.1
116.07156	3.3
125.02479	12.9
126.02805	5.9
129.01924	3.4
142.05153	2.5
143.05424	3.0
159.03006	8.1
159.99626	1.9
161.04559	21.9
186.29175	2.2
225.09679	2.0
229.30223	2.5
269.04480	6.5
269.10553	4.3
269.21225	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	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.8
59.01386	100.0
68.38545	1.2
69.37421	1.5
70.06470	2.3
70.06857	4.2
98.21899	2.2
98.22470	2.1
99.04531	3.9
109.06588	2.2
114.05629	2.1
131.54698	1.4
165.12878	13.3
189.12784	1.8
207.13930	21.3
209.11856	22.8
225.14995	10.1
251.12883	9.3
269.04462	3.9
269.13971	60.6
269.16809	2.8
269.21082	2.1
270.14209	3.0
270.48358	1.3
286.47113	1.7
288.05869	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58334	0.7
57.03435	2.8
57.51701	0.8
59.01385	100.0
71.27296	1.1
83.05032	1.7
85.02969	0.9
87.00889	2.1
96.09027	0.9
97.06592	1.4
99.04517	2.9
109.06605	2.2
114.05623	2.8
121.06673	1.1
123.04488	1.4
143.05060	1.5
145.02951	1.7
163.11333	1.2
163.14937	1.1
165.11588	1.2
165.12862	14.3
181.12364	2.3
183.04568	0.9
189.12845	2.6
191.54994	0.8
207.13928	22.9
208.14278	1.0
209.11853	22.9
210.12251	1.3
225.14980	11.2
237.75694	0.9
251.12875	7.6
269.00970	4.8
269.04553	6.8
269.07983	2.3
269.13962	62.9
269.17377	2.5
270.14273	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.0
59.01386	100.0
71.05027	0.9
71.52264	0.8
71.78017	0.7
81.03462	0.8
83.05044	2.0
87.00904	1.9
87.08098	0.7
97.06606	0.8
99.04516	3.3
100.54777	0.7
109.06619	1.7
110.21915	0.7
114.05636	2.4
121.06650	1.0
123.04572	1.1
130.75269	0.6
143.05058	1.8
145.03004	2.2
154.08748	0.7
163.11336	1.0
163.14917	0.9
165.12866	15.6
166.13152	0.8
181.12357	2.3
189.12827	2.3
191.10812	1.4
207.13930	23.4
208.14232	1.4
209.11853	28.5
210.12180	0.7
225.05647	0.7
225.11452	0.7
225.14970	12.3
245.86134	0.6
251.12923	6.9
269.04584	5.3
269.08066	2.2
269.13965	68.0
269.17157	2.2
270.14258	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	269.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95412	0.2
58.02982	1.4
59.01380	0.5
66.03488	0.8
69.43980	1.8
72.41997	0.3
78.07024	0.2
80.05061	0.7
86.02462	0.3
98.02457	0.6
98.21809	0.4
101.96652	0.3
110.09750	0.3
114.05619	100.0
115.05972	1.8
126.09261	6.1
154.08754	26.2
155.09137	0.7
155.11938	0.5
166.12347	0.5
207.15004	0.4
225.16107	11.8
225.18343	0.6
226.16196	0.4
227.14026	0.5
269.04535	0.6
269.15088	19.0
270.15417	1.2
280.41895	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	269.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58056	0.3
58.02966	1.3
58.83356	0.4
66.03484	2.2
77.53283	0.3
82.06629	9.1
84.08179	0.9
114.05618	100.0
115.05946	1.6
126.09254	8.0
154.08755	30.0
155.09073	0.9
155.11929	0.4
166.12346	0.6
191.11465	0.4
207.15074	0.4
209.13000	0.5
216.33379	0.4
225.16101	14.4
226.16313	0.7
227.14017	0.7
227.55090	0.4
244.49359	0.4
256.77731	0.4
269.15079	22.2
270.15338	1.3
278.63062	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	269.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
59.01373	1.9
66.96315	0.8
69.53787	2.5
69.54199	2.2
71.01386	1.0
71.05015	3.4
72.02167	2.1
85.02950	1.8
87.04523	100.0
88.04849	1.6
96.20311	0.7
98.21810	0.8
99.04518	3.6
114.05624	2.2
115.04048	1.0
132.02884	0.9
137.09761	1.1
147.42618	0.7
154.08708	1.0
165.61397	0.8
189.16618	1.1
191.10875	0.8
207.17567	7.0
209.15495	1.8
226.03014	0.8
251.16602	1.1
269.04578	3.0
269.17609	44.8
270.18018	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	269.1761
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
51.95765	0.6
57.03456	3.9
58.35398	0.4
59.01390	0.5
62.60976	0.5
69.66618	3.0
71.01375	0.6
71.05024	3.4
72.02172	1.3
73.02966	1.1
85.02960	1.6
87.04523	100.0
88.04865	1.6
91.48009	0.5
99.04531	5.3
101.06072	0.7
117.03493	0.9
121.10201	0.5
123.08154	0.5
125.09748	0.6
137.09752	1.4
181.16083	0.5
189.16443	1.4
207.17561	6.5
207.69958	0.5
209.15462	1.6
225.15059	0.6
269.04568	5.4
269.17587	45.7
270.17920	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	270.0445
Annotation	Clorgyline
Peak:m/z	Relative Intensity
54.24636	0.7
68.41882	0.6
69.65020	3.2
79.95746	49.0
80.96532	22.8
93.88129	0.6
94.98108	0.8
96.45610	0.6
98.22544	0.9
103.10773	0.6
106.98110	15.8
119.05043	4.2
124.00759	100.0
125.02475	0.8
142.05916	0.6
162.05618	2.5
211.02348	1.7
270.04437	99.2
271.04672	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	270.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66533	1.3
66.81494	1.1
69.11667	10.7
71.01379	4.8
73.02950	2.5
78.91911	1.6
78.95910	55.2
85.02948	1.9
87.00885	1.4
93.03459	6.6
96.96067	7.4
96.96970	100.0
103.92055	1.6
108.02184	3.6
109.02956	2.0
111.04518	2.3
124.98791	1.9
125.02434	1.9
128.03578	1.9
129.01913	1.1
130.34917	1.2
137.02498	3.0
142.99876	28.9
143.04619	3.0
146.98730	1.3
155.03470	1.6
160.91788	1.4
163.02136	1.3
169.01413	3.7
173.00941	6.2
173.04576	7.2
177.92044	2.0
192.22411	1.2
211.02458	1.8
217.92567	1.4
236.83345	1.1
239.27176	1.2
279.26056	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	271.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07701	0.3
58.00575	0.5
59.01385	5.9
64.13491	0.3
65.00331	0.8
67.01893	0.8
69.03454	0.6
69.64001	1.8
71.01390	3.8
72.99310	1.3
74.86147	0.4
78.95923	1.7
82.00604	0.4
83.01399	1.3
85.02956	0.8
87.00856	0.4
89.02460	0.6
95.01408	1.2
96.96027	4.7
96.96967	4.6
96.99330	0.6
97.02998	0.6
99.00887	0.5
101.02469	1.3
107.01388	4.1
108.02188	24.7
109.03002	2.7
110.00117	1.0
111.00893	6.5
113.02442	1.0
121.02946	0.4
123.00891	5.3
123.04539	0.8
123.98329	0.5
124.01643	4.0
124.02391	0.3
125.02466	29.4
126.02784	0.8
127.00402	2.2
131.08281	15.3
132.02267	0.4
136.98814	3.8
137.02455	1.0
137.62450	0.3
139.00380	7.0
139.04024	1.4
140.01181	9.6
149.02438	0.4
151.00378	1.9
151.04016	1.3
154.99814	0.6
155.03496	0.5
156.07805	1.0
161.04611	0.8
165.01999	2.1
166.03139	0.4
166.99942	0.4
167.03479	2.2
168.00658	25.4
169.01442	30.7
170.01830	0.9
173.10461	8.2
181.01451	0.6
183.03073	0.8
183.06487	0.3
211.02496	100.0
212.02873	3.1
223.20673	0.3
254.04596	3.7
271.04617	58.8
272.04901	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	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43914	0.5
57.03183	0.8
57.03450	11.3
71.27354	0.8
81.03449	2.0
83.01387	2.2
84.37561	0.5
101.97390	0.6
109.02972	3.0
111.00890	0.9
117.03461	0.7
125.02459	68.7
126.02827	1.0
131.05031	1.0
133.02948	0.8
135.04498	1.4
143.05043	1.4
145.02972	17.3
146.03790	2.6
149.02458	2.8
155.05034	0.7
157.02867	1.2
157.06519	0.9
158.03716	0.7
159.04524	11.2
161.02460	0.8
161.06085	6.6
171.04517	2.1
173.02362	0.7
175.04041	0.8
183.04495	3.4
184.05206	0.7
185.02440	1.2
185.06139	3.8
187.04030	6.2
197.02461	0.6
198.03197	0.7
199.04022	6.5
199.07678	0.8
201.01944	0.9
201.05585	2.4
203.03503	2.7
203.07176	2.8
209.06119	1.5
211.04111	0.9
215.03514	6.8
225.05504	1.2
227.03566	7.5
227.07057	3.4
228.03851	0.7
229.01396	2.3
229.05045	1.3
242.02205	2.5
243.03035	6.8
244.03391	0.6
253.05132	4.6
255.03072	1.0
256.03754	0.7
271.02487	100.0
271.06049	26.6
272.02884	5.9
272.06421	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	271.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	5.9
59.01384	1.4
65.00327	2.5
68.20804	1.2
71.01364	1.2
71.27959	1.8
74.27987	1.2
75.74636	1.0
76.99446	1.0
77.01273	1.2
81.03465	1.4
83.01394	2.4
91.01906	5.3
93.03452	1.9
107.01389	2.1
107.05046	4.6
109.02964	2.7
109.86157	1.2
117.03455	2.7
119.05015	2.5
125.02458	38.2
133.02988	2.3
135.00876	6.1
135.04526	16.0
143.05045	13.4
145.02975	10.3
146.03763	2.6
147.04533	1.2
149.02419	1.9
151.00386	5.1
153.01933	5.2
153.86829	1.0
157.06575	2.9
159.04532	5.3
159.08167	1.7
161.02425	2.7
161.06134	2.8
167.05028	2.6
171.04553	2.8
173.02451	1.8
173.18658	1.2
175.03989	1.4
180.05794	2.1
181.06543	3.1
182.07413	1.3
183.04562	4.4
183.08130	3.7
184.05165	1.5
185.02425	2.0
185.06065	17.0
187.04045	5.3
197.06116	2.3
198.03191	1.7
199.03986	7.2
201.02095	1.3
203.03481	2.2
203.07159	2.4
208.05260	1.9
209.06128	7.7
211.04008	3.4
212.04709	2.0
215.03537	5.7
225.05585	8.4
226.02521	1.3
227.03714	7.3
227.07156	38.1
228.07486	2.2
229.01501	2.6
242.02078	1.4
243.03003	6.7
252.04420	1.5
253.05077	55.2
254.05408	3.6
271.02502	100.0
271.06097	56.1
271.15649	2.9
271.19144	9.4
271.22519	1.5
272.02881	6.3
272.06461	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	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53009	1.2
57.03458	10.0
63.02395	1.3
65.00335	26.1
81.03465	29.8
83.01395	26.3
93.03465	3.0
107.01382	5.0
117.03476	17.3
119.05052	40.1
125.02462	82.0
126.02841	1.6
143.05045	21.4
145.02974	100.0
146.03366	2.6
151.00385	16.5
152.02536	1.7
159.04594	2.7
161.06091	41.7
171.04573	2.7
175.04192	1.4
183.08148	2.4
185.06071	14.2
186.06441	1.5
187.04028	7.6
199.04007	3.4
201.05568	1.8
203.07191	15.1
215.03539	3.3
227.03561	3.5
227.07137	11.5
229.05034	9.5
243.02931	8.5
244.03362	1.6
256.07315	1.3
271.02490	58.5
271.06104	29.6
271.15555	1.4
272.02771	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	271.0616
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
52.42789	0.9
57.03445	2.1
57.96178	1.2
59.01369	4.5
60.31204	0.9
64.12214	0.9
66.20748	0.9
67.01908	1.2
69.03474	1.0
71.01391	2.0
73.02929	1.2
83.01375	1.9
93.03470	1.5
95.05029	1.5
96.73249	1.0
98.21702	2.3
107.01422	1.4
108.02160	1.8
109.06612	1.7
111.04545	1.8
111.08147	4.7
115.05508	1.3
117.03487	2.3
119.05032	4.2
124.97905	1.2
125.02457	9.9
127.07597	1.1
132.12492	1.0
133.02960	1.5
135.08156	1.8
139.07674	2.9
141.05589	1.9
141.07109	2.6
143.05035	25.4
144.05412	1.0
145.02962	4.5
151.00365	1.9
152.16994	1.0
155.07147	1.7
157.06601	3.5
159.04483	2.4
159.08154	5.6
161.06027	1.6
165.07169	1.2
167.05046	1.9
171.04536	2.2
173.13326	2.4
175.04185	1.3
180.05750	1.1
181.06602	2.8
182.07362	4.7
183.04504	3.5
183.08154	8.4
185.06090	32.0
185.07715	1.9
186.06456	1.3
187.04041	1.7
197.06122	1.1
198.03172	1.1
199.04036	4.4
203.03540	1.2
209.06110	3.4
211.04169	1.4
212.04817	3.4
215.03464	4.2
225.05678	5.4
227.03500	6.1
227.07143	100.0
228.07457	5.5
229.01378	2.2
242.02155	1.8
243.02969	7.0
253.05067	38.7
253.14449	1.7
254.05452	3.5
271.02502	73.4
271.06113	61.4
271.09045	2.5
271.15512	17.5
272.02878	5.0
272.06393	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	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44394	0.5
57.03445	2.4
57.72662	0.6
59.01385	0.9
63.02402	9.7
65.00324	23.8
68.99828	1.0
69.12228	4.3
81.03461	0.8
83.01395	13.8
87.04532	1.2
93.03468	11.5
107.01398	35.7
108.01714	0.8
108.99342	0.8
109.02951	0.7
117.03475	1.7
119.05035	81.8
120.05383	3.0
121.02946	1.0
125.01538	0.7
125.02451	13.5
125.41377	0.5
133.02942	0.7
135.04550	2.5
136.08571	0.6
137.02460	0.9
143.05042	2.9
145.02956	7.0
151.00380	94.0
152.00705	2.3
156.05737	0.8
157.06581	0.9
159.04535	1.8
161.06094	4.3
165.01938	3.9
169.01422	2.3
177.01929	7.0
183.04480	0.8
184.05215	0.6
185.06070	5.2
186.80411	0.6
187.04005	9.6
199.07649	1.0
211.13397	2.1
214.99948	0.8
215.03470	0.8
227.03632	0.7
227.07161	6.5
228.07883	0.6
229.05067	0.8
243.03001	0.9
253.05013	1.6
271.02594	10.9
271.06113	100.0
271.15433	2.0
272.06464	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	271.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
63.02401	11.7
64.33115	0.7
65.00333	22.2
69.03576	2.1
69.03980	6.4
83.01396	12.8
84.67117	0.8
86.19254	0.7
87.04516	1.3
93.03471	15.2
100.23112	0.7
107.01406	29.1
108.01698	0.8
119.05045	91.7
120.05362	2.7
121.02987	1.2
125.02449	3.5
126.87395	1.0
145.02945	2.6
151.00391	78.2
152.00743	1.6
159.04572	1.0
161.06111	2.5
165.01996	4.0
169.01402	3.2
170.78470	0.8
176.72864	0.8
177.01956	11.2
185.06075	1.7
187.04021	3.1
214.99918	2.1
216.35913	0.9
227.07214	1.6
242.99330	2.2
271.03036	3.3
271.06146	100.0
272.06500	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	271.0615
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.64558	0.5
53.24870	0.7
57.03455	15.9
64.37041	0.6
70.57292	1.3
70.57652	0.7
81.03467	3.5
83.01407	3.5
86.64766	0.6
93.03459	0.7
108.02212	0.7
109.02966	4.4
111.00906	2.3
115.05547	0.8
117.03494	1.2
117.90379	0.7
121.03003	1.2
125.02467	100.0
126.02792	2.1
131.01471	0.7
131.05080	1.4
133.03026	0.8
133.06653	1.0
135.04546	3.5
137.02434	0.8
141.07144	0.6
143.05035	7.4
145.02972	27.9
146.03787	5.1
149.02449	4.8
155.05014	0.8
157.06624	2.5
158.03740	1.1
159.04535	18.5
159.08179	1.4
160.05077	0.6
161.02425	2.8
161.06097	11.8
167.05038	1.4
170.03734	0.6
171.04550	1.8
173.06012	1.2
174.03123	0.8
175.04048	0.8
181.06630	2.0
182.07480	0.8
183.04483	5.3
183.08162	1.2
184.05237	2.0
185.02449	1.2
185.06105	18.0
187.04036	9.8
188.04462	0.6
197.06133	1.5
198.03239	0.9
199.04083	4.0
199.07718	1.6
201.05553	4.2
203.03546	1.4
203.07176	10.1
208.05190	0.7
209.06075	3.7
211.04085	3.2
212.04675	1.0
214.99937	0.9
215.03505	3.3
225.05620	2.9
227.03712	5.2
227.07156	28.1
228.07504	1.5
229.01437	1.7
229.05045	4.4
230.02299	1.7
242.02205	0.9
242.99361	1.2
243.02960	4.1
244.03635	0.7
253.05107	14.6
254.05641	0.7
256.03848	1.3
270.99130	2.5
271.02560	42.5
271.06171	65.0
272.02921	3.0
272.06534	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	271.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42254	0.4
59.01368	0.6
60.80983	0.4
69.30276	3.6
80.43639	0.5
96.96027	8.3
98.21816	0.6
114.05624	1.8
114.27959	0.5
131.08278	100.0
132.08621	1.4
156.07790	3.6
173.10449	53.5
174.10750	1.4
261.98618	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	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15170	0.2
54.43205	0.2
55.01875	0.9
57.03436	0.3
58.04569	0.2
59.01387	3.4
64.68873	0.2
65.00318	0.3
67.01879	0.5
68.99837	0.3
69.03451	1.0
71.01386	8.1
71.25967	0.5
72.99315	0.6
73.02951	2.3
74.02487	0.3
79.01879	0.4
81.03470	0.5
82.03006	0.3
83.01399	1.2
85.02956	3.6
87.00879	0.6
89.02451	0.4
91.72903	0.3
93.03476	0.3
95.01389	2.2
97.02967	0.7
99.00890	1.4
101.02456	4.8
107.01430	1.7
107.05005	0.4
108.02184	100.0
109.03013	9.9
110.00115	0.3
110.32661	0.3
111.00874	2.1
113.02469	3.7
114.05605	0.3
119.05008	0.3
121.02951	1.3
122.03745	0.4
123.00871	2.5
123.04527	1.7
124.01684	2.0
125.02458	24.8
126.02834	0.5
127.00396	0.7
128.03549	0.6
130.08705	0.4
133.02980	1.0
134.03766	0.4
135.04485	0.5
136.98822	1.1
137.02454	0.7
139.00404	2.7
139.04031	0.3
140.01184	3.4
143.01399	0.3
143.03494	0.4
143.04631	0.3
151.00369	1.1
151.04022	4.3
159.03000	1.0
161.04573	3.6
163.04018	1.9
165.01961	0.4
167.03516	0.7
168.00652	8.5
169.01437	30.3
170.01729	0.9
181.01488	0.4
183.03015	0.5
211.02501	32.5
212.02846	1.1
230.32181	0.3
242.99261	0.4
270.98831	1.2
271.04623	21.4
272.05008	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	271.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43463	0.6
58.02969	1.9
59.01376	0.8
66.03476	2.1
68.05056	4.8
68.41119	0.7
70.08196	0.7
71.01384	1.6
71.49271	0.6
73.02967	0.7
84.04572	1.6
84.06893	0.7
84.28172	0.7
96.08201	0.9
96.96036	1.2
98.22518	2.2
112.07738	3.2
115.08790	1.0
116.07200	1.0
125.02442	2.0
128.03554	8.1
129.10355	53.1
130.05112	100.0
130.10669	1.6
131.05449	2.9
140.07190	20.4
141.88400	0.7
153.10312	0.8
157.09828	17.9
158.08217	1.1
159.00977	1.1
163.97867	0.7
167.11891	7.4
168.00650	1.1
169.01439	1.5
171.11401	18.3
183.02740	0.7
187.00380	0.9
199.10889	9.5
209.12950	7.5
211.02536	4.1
211.10945	2.0
214.99861	1.3
227.14008	9.2
228.84998	0.9
242.99278	1.4
270.98862	4.5
271.02380	2.0
271.04974	1.7
271.13004	21.7
271.22897	0.8
271.99570	0.8
272.13333	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	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28946	0.7
57.03441	1.0
58.00605	3.4
59.01383	11.2
59.12303	0.7
67.99499	0.6
69.03448	1.7
69.15572	0.8
69.15927	5.8
69.47880	0.7
71.01374	1.6
73.02941	1.1
82.19193	0.6
83.05035	1.8
85.02966	0.6
93.03452	0.7
95.05058	0.9
97.06597	8.2
99.08125	0.6
106.97878	0.6
109.02945	0.8
109.06580	1.7
110.03690	0.7
111.04562	0.9
111.08168	23.5
113.06113	7.0
115.01875	1.0
119.01382	1.9
119.05043	1.1
121.06601	2.2
127.07669	2.8
131.01361	1.7
131.68739	0.6
135.08157	3.5
137.06071	2.2
137.09830	0.7
139.07677	5.8
140.69722	0.6
141.05598	6.7
142.05896	0.6
143.01387	2.1
143.05057	0.9
143.07124	2.3
145.02875	0.9
147.00871	0.9
155.05043	1.1
155.07152	7.2
157.02959	1.9
159.00888	1.0
159.04546	1.1
171.00926	1.4
171.04517	3.4
173.08223	0.7
173.13380	2.5
175.04018	1.0
182.65154	0.6
183.04442	1.1
187.00391	2.0
187.04010	1.6
191.14410	1.5
198.03188	0.9
199.00291	0.7
199.04030	5.7
201.01921	1.7
203.03528	2.3
214.99843	2.6
215.03496	6.2
224.34288	0.7
226.02771	1.0
227.03491	5.8
229.01410	3.6
229.05049	1.2
233.67119	0.6
235.13350	0.8
242.02193	2.5
242.99301	2.8
243.03024	7.1
253.14418	2.6
270.98999	10.1
271.02487	100.0
271.15530	39.7
271.99576	1.1
272.02878	6.8
272.15970	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	271.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11019	3.2
55.19767	3.6
57.03442	4.3
58.00587	3.4
59.01393	33.4
65.00338	5.9
68.71842	3.5
69.41309	3.6
70.55782	8.3
73.02920	4.2
74.33611	3.2
81.40510	4.0
97.06594	16.2
99.04536	7.4
111.08170	64.2
113.06100	28.3
121.06624	4.6
124.68459	3.3
125.02425	7.5
127.07729	5.3
130.08699	4.9
131.01366	5.0
132.98169	5.8
135.08168	5.7
137.06142	5.5
139.07664	11.1
141.05583	16.1
143.04997	3.9
143.07201	4.4
151.00430	6.1
155.07161	13.8
171.00951	5.6
171.04572	5.1
171.10237	5.9
173.13303	5.9
174.99243	64.1
183.10292	4.0
187.00427	11.1
199.03987	6.3
201.01949	12.3
211.02399	4.1
214.99889	5.2
227.03529	4.4
242.99313	7.4
243.02991	8.4
253.14445	14.3
270.98914	29.0
271.02478	95.3
271.05316	30.0
271.15506	100.0
272.02893	6.5
272.16022	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	271.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.0
58.00596	10.3
59.01383	22.8
61.01875	1.0
69.03446	4.6
70.37239	1.0
71.01382	2.6
72.99287	2.5
73.02940	4.8
83.01409	1.3
83.05027	5.7
84.02193	1.7
87.04552	1.2
93.03461	1.5
93.07082	1.7
95.05034	2.3
97.06599	18.7
99.08181	2.7
106.04183	1.4
107.05063	1.2
109.06598	5.0
111.04514	2.4
111.08173	56.0
112.08487	1.3
113.06100	16.4
115.97818	0.9
119.05029	1.6
121.06615	7.2
127.07671	7.0
131.01424	1.1
132.18445	1.1
135.08179	17.4
137.06100	5.7
139.07671	21.7
141.05589	12.4
143.07141	4.5
150.60013	1.1
155.07150	32.7
157.60323	1.0
159.00827	1.6
166.19914	0.9
171.04515	1.0
173.08151	1.6
173.13351	11.0
187.00394	3.7
187.77130	1.2
191.14412	4.9
199.03970	1.2
209.15462	1.2
214.99722	1.7
215.03465	3.5
227.03450	1.8
229.01373	1.5
235.13403	2.0
242.02046	1.2
242.99298	2.7
243.02979	3.8
250.75421	1.3
253.14528	7.2
270.98911	8.5
271.02481	41.6
271.15518	100.0
271.99542	1.0
272.02942	2.9
272.13229	1.1
272.15939	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	271.2281
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
70.77110	3.3
113.53129	1.4
197.19048	1.4
221.19150	1.3
223.20746	3.1
225.22275	71.7
226.22639	4.4
253.21776	2.6
271.22803	100.0
272.23114	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	273.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76997	1.3
59.82696	1.3
60.99308	16.8
71.26656	2.0
73.75061	1.2
78.95907	2.6
88.98813	100.0
102.05617	5.5
109.53071	1.7
127.05173	6.9
128.03557	6.7
132.51154	1.5
145.06215	17.9
146.04611	6.7
153.99651	1.6
165.99146	4.9
183.01775	50.8
184.00244	6.8
241.28688	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	273.077
Annotation	ent-Epifisetinidol
Peak:m/z	Relative Intensity
55.55949	0.2
57.03436	0.3
59.01361	0.6
65.00346	0.3
65.03970	10.0
67.01875	0.4
68.30512	0.2
71.28608	0.4
82.62328	0.2
91.01907	1.5
107.01357	0.2
107.05039	12.9
108.02189	0.4
108.05378	0.3
109.02959	15.8
116.05151	0.2
121.02927	0.4
122.03751	0.3
127.11297	0.3
129.09203	0.3
133.02983	0.6
135.00882	2.4
145.02934	0.4
151.04018	100.0
152.04352	3.6
153.01938	0.9
161.02521	0.3
163.04045	2.7
205.92929	0.2
231.12354	0.3
245.00993	0.5
245.04443	0.4
255.06612	0.8
255.16069	0.4
257.30289	0.3
273.00339	0.6
273.03375	1.2
273.07684	2.7
273.17172	1.6
273.20758	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	273.0772
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.00483	0.4
65.00315	0.5
67.01881	0.8
68.99812	0.5
69.01009	2.0
69.01437	2.1
69.03458	2.7
71.01382	0.5
72.99302	0.5
79.01906	0.7
81.03461	1.0
83.01402	1.2
85.47247	0.4
86.34581	0.5
95.01375	0.9
97.02977	2.0
104.83326	0.4
107.01440	1.0
110.00081	0.6
111.00901	3.3
123.00909	1.4
124.01651	3.1
124.12127	0.4
125.02464	100.0
126.02773	2.4
127.00402	1.9
136.98839	2.9
137.68320	0.4
139.00394	4.5
140.01204	5.6
140.12155	0.4
151.00404	1.4
154.99878	0.7
168.00700	2.5
169.01450	95.8
170.01782	2.3
245.04561	1.7
273.07706	98.6
274.08063	6.3
274.60541	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	273.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15384	3.9
56.99573	5.1
57.03452	5.0
71.27745	5.7
73.70087	4.1
83.05021	15.1
85.24538	4.0
86.96998	10.1
122.06076	4.0
138.00940	4.5
151.00439	8.2
153.05374	10.0
159.11807	7.9
161.13387	22.8
163.14955	4.1
213.14935	6.4
227.10573	4.4
229.12247	11.8
243.09897	4.2
245.04543	10.6
247.13142	26.9
255.19823	5.6
259.09540	14.2
261.11105	46.1
273.00372	4.4
273.04031	5.7
273.07941	7.6
273.11081	75.4
273.17130	22.4
273.20718	100.0
291.12170	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15279	0.6
57.03444	1.1
58.02976	37.4
59.01375	1.4
60.08950	0.8
69.82906	1.6
69.83318	2.2
73.62350	0.7
74.02479	3.0
75.47827	0.6
76.23120	0.6
78.55010	0.7
83.06193	1.2
84.04539	6.0
88.04058	1.3
97.06602	0.9
98.02463	1.0
99.05699	0.7
101.07206	14.1
102.09232	0.8
109.04098	1.7
115.04044	1.7
117.03484	1.2
125.02406	0.7
125.07222	43.8
126.05611	3.2
127.05139	22.9
128.03554	12.5
128.07114	0.7
143.08267	24.3
143.11964	0.8
145.02940	2.6
146.95720	0.8
160.61826	0.7
161.02470	1.9
170.11880	1.5
173.02425	1.7
187.14549	8.8
189.01906	2.3
199.03932	0.7
213.12454	95.0
214.12759	3.2
217.01514	3.8
229.15552	9.2
231.13506	20.0
232.13745	0.8
245.00882	4.2
255.13452	1.6
257.25000	0.7
258.01703	0.8
272.97540	0.6
273.00433	10.3
273.04047	3.5
273.14569	100.0
274.00998	1.4
274.14890	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	273.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87031	0.9
57.03435	4.1
59.01096	1.3
59.01386	23.3
61.27668	0.9
65.00340	5.0
65.00612	1.0
69.03455	1.7
71.01388	13.6
71.05029	6.7
71.27383	1.9
73.31356	0.9
74.02483	2.2
80.94100	0.9
81.03455	3.7
83.01395	3.4
83.05025	5.9
93.03462	3.0
99.08170	9.7
101.06097	2.8
107.01400	7.2
109.06608	4.7
111.04508	2.6
111.08176	17.0
115.03971	1.2
117.03444	2.0
119.05016	1.7
122.03767	1.1
123.04513	3.8
125.02438	2.2
125.16235	0.9
127.07661	2.9
129.09238	8.7
133.02933	1.2
137.02437	1.1
137.06062	4.2
138.50494	0.9
139.11273	3.4
141.09175	1.6
143.05063	3.5
145.02951	1.5
151.00406	9.6
155.07159	27.4
159.04558	1.4
161.02461	4.9
165.12881	2.8
167.03490	6.7
173.08199	3.5
173.29643	0.9
178.99869	2.4
193.16037	1.2
201.05609	1.9
201.15002	4.9
211.04057	1.7
217.01460	1.2
219.13867	1.2
237.14981	6.5
245.00941	2.5
245.04559	14.9
255.02960	1.3
255.16069	7.0
273.00458	5.1
273.04034	9.3
273.07599	3.8
273.17105	100.0
274.17404	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	273.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26548	0.7
59.01376	0.6
60.99316	3.2
61.98826	3.4
65.30495	0.6
69.89073	3.2
71.01370	1.9
72.66071	0.6
88.98816	22.7
89.02494	1.7
89.99119	0.7
102.04947	1.3
102.05616	20.9
108.90210	100.0
115.00366	1.6
128.03554	15.2
128.04459	1.0
131.08223	1.2
146.04613	53.3
149.04643	0.9
159.81068	0.6
184.00185	30.7
205.93999	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	274.0393
Annotation	L-Tyrosine methyl ester 4-sulfate
Peak:m/z	Relative Intensity
63.96227	3.4
64.97033	12.3
69.12667	7.5
69.12982	1.7
72.00909	11.5
79.95745	37.9
80.96528	19.3
83.02856	0.7
95.21736	0.8
95.97624	80.5
98.21832	1.9
98.22482	1.4
103.05542	1.4
104.58783	0.9
107.10789	0.8
119.05036	11.3
130.24562	0.9
133.05342	16.9
133.06578	3.5
134.06120	0.9
148.07689	18.0
171.10445	0.8
177.05598	33.8
178.05914	1.2
192.06749	1.2
194.08235	100.0
195.08530	3.0
210.56450	0.9
212.03952	1.1
228.03362	2.4
256.02930	3.3
274.03940	88.6
275.04266	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	274.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92249	0.7
66.03492	100.0
67.03831	0.9
68.94627	7.2
71.05061	0.7
98.22161	3.2
99.68723	0.6
110.02491	94.2
111.02819	2.2
119.05029	7.4
157.12323	0.7
163.00444	0.8
164.04817	0.6
202.99922	0.9
203.03490	0.6
206.48198	0.7
229.01373	2.1
231.03058	1.0
246.01302	0.7
257.00858	2.0
272.73819	0.6
274.00958	2.2
274.07114	1.4
275.02017	8.5
275.18610	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	275.0199
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
51.11225	0.3
56.86061	0.3
66.38617	0.2
66.44877	0.3
68.50405	0.2
101.61179	0.3
103.05570	0.4
117.03477	0.3
119.05016	1.2
127.85023	0.3
129.03473	0.6
133.02965	0.5
141.03430	0.4
145.02965	2.0
147.04547	3.1
157.02957	2.0
158.03775	0.4
158.60262	0.3
159.04498	1.4
161.02408	0.4
163.04036	2.5
173.02458	3.9
174.03233	0.6
175.04039	2.9
177.01906	0.7
185.02448	2.9
187.04037	0.5
188.01057	0.3
189.01935	0.6
190.02725	1.6
191.03526	3.0
192.03865	0.4
201.01962	8.3
202.02599	1.2
203.03514	8.5
205.01413	0.8
212.01097	0.5
213.01944	1.5
214.02643	0.3
217.01477	0.3
219.03032	3.6
228.00464	0.4
229.01430	22.5
230.01924	0.9
231.03030	2.5
241.01439	0.3
245.00801	0.6
247.02507	1.9
257.00934	21.5
258.01645	9.5
259.02036	0.4
274.01181	1.2
275.01990	100.0
276.02289	4.1
284.62393	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	275.1293
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
56.29115	0.7
57.03434	3.2
60.90951	0.7
63.96456	0.7
69.58798	4.7
81.03465	100.0
82.03794	1.5
83.01389	3.7
86.90266	0.8
98.22610	1.3
109.82638	0.8
114.40717	0.8
120.05829	14.3
121.06598	3.6
125.02459	4.0
136.98839	0.7
161.06136	1.5
161.13499	1.0
162.06866	3.0
163.07649	0.8
163.11301	12.3
173.02678	0.8
189.11131	1.7
189.12866	29.7
190.13132	1.0
203.00017	1.0
229.01328	2.0
231.13924	12.1
233.11926	1.0
257.00983	1.0
258.01505	1.2
274.98840	1.2
275.01938	7.5
275.12921	79.7
276.13263	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	275.202
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.62938	1.3
59.01381	6.6
61.98837	2.4
62.47441	1.0
70.15546	2.6
70.15945	2.5
71.01394	1.5
95.88628	1.1
116.92860	3.8
130.51494	1.1
172.88629	1.1
177.16466	2.5
178.82529	1.2
192.95850	2.8
201.63846	1.3
231.17503	5.3
231.21184	9.4
257.19135	1.3
260.96426	1.1
265.72437	1.2
275.02017	2.6
275.16769	5.5
275.20166	100.0
276.20520	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	276.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48928	57.6
71.57600	53.4
89.00328	100.0
99.55045	48.9
106.22784	68.7
160.98802	63.9
176.92415	59.9
204.98018	66.9
232.97154	69.8
243.10669	51.3
276.02444	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78559	0.9
58.02978	1.3
59.01379	2.3
65.00326	1.1
71.01380	5.2
71.02514	1.2
71.26820	0.7
71.27203	1.6
73.02969	2.2
77.03966	2.7
78.95895	0.8
81.03442	1.1
85.02963	3.4
89.02423	1.3
89.03971	3.5
92.05067	2.2
93.03487	1.8
95.01365	1.1
95.05025	9.2
96.96966	2.0
99.00858	1.1
101.02455	2.7
105.03462	19.9
109.02999	0.9
113.02431	1.8
113.03589	3.2
115.04014	1.5
115.45841	0.8
117.03475	7.9
119.01433	1.1
119.05055	1.9
121.03000	3.9
123.04546	9.3
126.04366	2.5
126.09341	0.9
127.05160	1.5
128.03531	5.2
131.01373	0.9
132.02158	1.6
133.02966	29.6
135.00894	1.0
137.02458	3.4
143.01393	2.9
144.04539	1.8
145.02943	4.7
147.00911	1.8
148.04042	3.6
149.02472	6.6
159.00815	1.3
160.01686	2.4
161.02458	100.0
162.02777	3.0
163.00359	3.7
163.04041	4.7
164.07211	0.8
165.01965	4.4
171.00798	1.4
173.07245	1.1
175.00319	1.0
177.01939	13.2
178.99924	1.4
179.03505	20.1
180.03804	0.9
186.95615	2.1
187.00410	1.6
189.01936	20.1
190.99796	1.3
191.08249	3.0
193.01442	2.1
202.99910	2.0
205.01427	20.5
209.00977	3.8
214.99887	1.1
215.08214	1.4
216.06714	1.5
221.00911	3.2
230.99341	2.7
233.00931	51.3
234.01245	2.2
234.98868	3.1
249.00476	2.2
258.98877	6.1
260.05737	1.1
276.99918	53.5
277.08496	3.1
277.21823	1.5
278.00287	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	277.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02705	1.8
58.02981	34.2
70.64935	2.0
70.65270	1.5
84.04555	25.9
86.02474	3.1
92.05072	36.2
108.04570	1.2
116.05067	1.0
118.06622	3.4
120.04581	8.7
128.03552	100.0
128.05087	5.3
129.03877	1.8
130.06651	2.3
131.03752	3.1
137.46097	1.0
144.04562	31.0
146.02515	8.8
146.06143	17.3
147.03242	2.3
148.04060	73.6
149.04390	3.0
154.47989	1.1
173.07254	15.7
174.05609	2.6
186.95613	1.0
190.05121	7.2
215.08275	31.2
216.08577	2.3
217.82617	1.0
233.09293	1.8
235.07210	3.5
259.07196	7.8
277.08310	34.2
278.08673	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.48133	0.3
59.01387	4.4
61.30172	0.4
71.01374	0.6
75.48333	0.4
89.00331	1.2
92.99824	0.5
116.99718	0.5
118.00758	0.4
121.11142	0.4
127.07639	0.7
140.92741	0.4
160.98862	1.6
178.64677	0.4
183.47897	0.4
200.90567	0.4
204.01064	0.5
204.97771	1.2
205.15982	1.0
232.97260	0.9
233.19080	0.4
233.22687	0.6
259.20575	0.6
276.96133	0.8
277.18304	6.2
277.21735	100.0
277.78500	0.4
278.19232	0.6
278.22098	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.42085	0.3
56.63153	0.2
59.01382	1.6
71.03871	0.3
71.04231	0.4
89.00340	1.0
116.99874	0.3
127.07703	0.4
147.33749	0.3
160.98822	0.6
204.97762	0.5
232.97411	0.5
233.22873	0.5
259.20569	0.5
262.26895	0.3
275.20154	0.5
277.21735	100.0
278.22086	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	278.0672
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
59.01375	0.8
61.23584	0.5
69.36499	0.6
71.01393	4.7
72.00925	0.7
72.25433	0.5
79.00787	0.6
88.04050	26.7
96.96008	3.3
114.01969	4.0
115.00391	11.9
119.05045	12.9
125.02467	2.2
132.03043	100.0
133.03419	1.1
136.53676	0.6
145.02966	2.7
159.86633	0.6
162.05605	0.6
163.04005	3.0
216.06711	0.8
234.07770	1.1
242.91519	0.6
278.06741	5.1
278.10315	2.9
279.05319	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	278.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96921	1.1
71.01041	1.3
71.01395	12.9
88.04044	3.2
88.60131	1.1
89.24675	0.9
92.98874	1.0
93.03487	7.8
114.01980	24.4
115.00382	21.7
119.05041	100.0
120.05411	2.1
121.06673	1.1
132.03040	21.3
133.48814	1.2
145.02948	8.8
146.06136	3.9
147.04536	5.2
162.05614	29.2
163.02740	2.0
163.04016	25.0
169.01416	1.5
190.08784	4.1
208.85228	1.2
216.06638	7.7
234.07693	5.8
260.05731	1.5
278.06717	43.2
279.07196	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	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.2
59.01384	16.0
69.03448	1.5
71.01387	9.1
71.05025	2.6
72.99296	1.2
75.00896	6.4
83.01392	8.2
85.02940	3.0
86.75518	0.9
87.00862	1.9
89.02453	10.3
93.03468	20.9
99.04517	2.2
101.02473	4.2
103.99948	1.1
107.04983	1.0
113.02467	3.0
113.99588	9.3
114.99575	1.8
115.00380	29.7
117.03496	3.6
117.05595	16.4
119.03534	3.9
119.05037	25.8
120.05412	0.9
120.69641	0.9
121.02988	2.2
121.06586	3.0
123.04567	1.0
124.43665	0.9
130.04266	7.7
131.05026	2.4
133.05675	1.6
133.06596	15.0
134.03714	3.2
135.04536	2.1
143.05049	12.4
144.05785	1.4
145.02960	2.8
145.05540	2.0
145.06610	30.9
146.06871	1.8
147.04536	39.8
148.05309	2.3
149.06100	28.4
158.03755	3.9
159.04536	6.4
161.02461	2.6
161.04858	1.1
161.06044	6.5
163.04015	1.3
163.07663	26.5
164.07903	1.0
165.05556	5.6
171.04515	2.6
172.05319	1.5
173.06093	35.7
174.06432	1.4
175.03998	4.1
177.05585	29.0
189.05592	5.2
191.03470	1.1
191.07161	27.9
193.05045	7.3
207.06671	4.5
209.14049	1.0
217.04991	1.0
221.04565	100.0
222.04933	4.0
279.05164	23.9
279.10855	23.0
286.45520	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	279.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95114	2.8
59.01411	3.2
71.01392	26.1
71.26292	3.4
71.93739	2.9
72.00899	5.2
72.99326	3.8
78.05771	3.3
88.04044	7.2
96.00934	3.6
99.00886	3.5
109.01708	48.9
114.01958	3.6
115.00375	38.8
117.03557	3.4
118.06631	7.3
119.05040	44.1
132.03004	5.1
133.01453	100.0
133.82596	2.8
147.04520	20.6
149.25896	3.3
163.04036	38.2
164.07172	48.9
169.01472	3.6
173.09396	3.4
175.03986	3.1
176.07185	11.2
220.06152	3.5
244.06160	42.3
262.07288	6.2
279.05307	4.4
280.08301	3.8
287.33441	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	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98382	1.1
68.52127	1.1
71.01387	23.1
71.95695	1.4
78.95892	1.2
88.04049	81.2
98.75481	1.1
106.04237	3.3
114.01966	5.4
115.00376	21.6
119.00352	1.5
119.05040	60.5
120.05367	3.0
123.18111	1.1
125.02464	3.4
132.03044	73.7
146.74046	1.3
161.48648	1.1
163.04024	100.0
164.04335	4.0
165.05565	5.6
177.01999	1.9
178.99948	1.7
183.54713	1.1
207.03020	2.5
207.06651	2.9
219.02931	1.2
236.09224	2.9
279.05295	6.4
280.08282	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48754	1.3
60.97525	1.9
69.17283	9.6
72.00391	3.9
72.97533	5.0
73.01181	1.5
73.98292	1.3
76.70880	1.1
87.00887	27.8
87.47018	1.2
88.97015	1.2
90.98604	100.0
99.08152	1.3
117.00194	2.0
129.07458	98.8
130.07776	3.1
135.01279	7.9
139.07646	1.2
145.06943	4.8
147.08514	92.6
148.08817	2.0
173.06429	23.3
179.00211	28.1
186.17354	1.1
191.07512	23.1
192.07883	1.5
205.01422	2.2
217.09039	25.9
218.09467	1.7
220.03841	2.5
235.06421	1.4
235.10126	11.5
261.07977	9.2
264.02753	1.6
279.09100	15.3
279.12122	2.5
280.09555	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	279.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01376	0.3
69.04220	2.6
79.95751	1.1
96.96021	100.0
98.21912	0.8
138.02090	0.3
139.11327	0.7
153.12877	0.7
163.00349	0.3
166.35945	0.3
199.13419	16.7
200.13757	0.6
217.08813	0.3
235.10075	0.8
246.12146	0.2
279.09094	57.9
280.09467	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	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01870	1.5
58.00604	3.5
59.01387	100.0
69.16291	4.9
69.16721	7.7
71.01391	63.1
71.02486	2.5
72.01710	1.6
72.99333	4.0
83.01400	3.7
85.02950	9.5
87.00913	3.6
87.02007	1.7
88.93204	1.5
89.02455	65.0
95.01424	5.6
96.96033	2.0
97.02972	2.3
99.00880	3.7
99.04558	8.7
101.02444	37.6
102.98927	1.4
113.02469	24.4
117.05599	5.0
119.03516	33.3
123.04575	2.8
128.03546	3.7
131.03566	1.9
143.03503	2.3
149.02507	3.6
149.04648	1.8
150.05635	5.9
161.04619	3.1
163.00519	1.9
191.19507	1.4
218.11310	1.7
279.10922	72.7
279.23251	2.0
280.11246	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	279.1242
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
53.65972	1.9
59.01366	2.4
65.00305	3.6
66.59173	2.2
68.99839	2.5
70.37012	5.6
70.37364	3.9
71.01382	3.7
72.99326	3.5
83.01368	2.5
110.00100	4.7
111.00894	22.0
124.01706	9.5
125.02460	3.7
126.65195	2.2
127.00385	8.5
134.89497	2.2
136.89079	2.4
136.98787	14.9
139.00410	22.0
140.01178	33.8
162.91116	3.1
168.00659	47.9
169.01401	4.0
206.70140	2.0
211.27666	2.8
235.13457	6.3
243.79117	3.4
279.12405	100.0
280.12793	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	279.1241
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03453	12.6
57.22058	0.8
69.03459	0.9
69.94626	2.9
83.05050	1.9
94.04242	1.1
95.05047	3.6
95.07957	0.8
97.02976	5.9
97.06593	2.8
106.24387	0.8
107.05068	1.1
109.02984	6.2
109.06589	6.8
110.17142	0.8
111.04547	4.5
119.08662	1.8
121.06630	3.7
122.03748	16.1
123.04543	2.5
124.05314	19.8
125.06142	4.7
135.04536	2.0
135.08188	0.9
137.06100	11.0
139.07668	100.0
140.07974	2.5
142.02730	0.9
145.10277	1.0
145.37361	0.8
147.08153	5.6
161.09746	1.1
162.06973	1.1
163.07643	2.6
163.11290	1.4
168.07944	25.0
169.08839	1.6
169.10172	0.9
171.08183	2.1
172.08855	1.5
175.11314	2.6
177.09273	1.2
177.12839	2.3
185.09761	2.1
187.11290	17.5
187.12851	1.4
188.11671	1.2
189.09224	1.0
190.10031	4.9
205.12355	35.4
206.12679	1.7
217.12254	0.9
231.10231	1.0
235.13448	3.8
249.11383	2.9
269.22629	0.8
279.12512	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.52136	0.2
59.01374	0.8
60.60904	0.3
66.32822	0.3
68.80451	0.2
68.99073	0.5
68.99482	2.4
71.01363	0.3
84.91181	0.2
88.26369	0.2
109.97772	0.3
119.98390	0.2
120.10863	0.2
122.83701	0.3
127.77585	0.3
128.70261	0.2
177.99080	0.3
203.63132	0.3
261.22186	0.6
279.23303	100.0
280.23636	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	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.86120	0.7
58.53569	0.6
60.23302	0.6
70.42106	2.5
70.85852	0.6
99.11880	0.7
106.02756	0.8
122.87087	0.7
144.64673	0.6
165.24080	0.7
183.41612	0.8
198.86009	0.8
199.15126	0.7
273.29004	0.7
279.23325	100.0
280.23611	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	280.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
69.98318	2.0
70.02989	3.9
71.01389	8.9
71.27075	2.8
72.00915	16.7
72.60970	1.9
80.96562	2.1
82.03014	4.8
88.04050	19.7
91.05559	6.1
96.00356	2.3
96.00899	12.2
96.96026	3.8
98.92714	1.7
99.00901	5.6
109.01708	100.0
110.02051	2.7
114.02010	5.6
115.00403	4.5
115.34959	1.8
118.06651	13.7
119.05034	2.1
119.07009	2.6
132.03041	12.9
133.01492	3.6
147.04541	37.7
147.08249	2.8
148.04807	2.0
148.07726	2.6
164.07187	98.5
165.07503	2.7
174.09291	4.7
176.07205	26.1
177.96619	1.9
190.08827	1.9
200.07185	8.6
202.05138	2.9
218.08264	6.4
220.06131	2.9
220.14983	2.0
244.06168	76.9
262.07211	18.0
280.08279	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	280.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
69.07511	4.7
69.70969	0.4
71.01386	9.3
88.04047	100.0
89.04337	1.1
96.99335	0.7
106.04259	2.8
108.02137	0.8
114.01968	5.8
114.99580	0.9
115.00387	17.3
132.03038	83.7
133.03366	1.4
164.07184	1.6
165.05579	5.3
236.09241	2.6
280.08276	18.9
281.08505	0.9
281.13846	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	281.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	17.4
59.01382	20.4
64.31142	7.2
67.33272	7.7
70.59354	20.7
71.01380	97.9
72.02253	6.6
72.15357	7.0
73.02950	8.8
85.02959	79.8
87.00877	20.3
88.98815	30.1
95.01416	14.2
101.02485	10.4
113.02464	94.0
121.61831	6.5
145.46642	7.0
193.05061	11.3
205.07227	10.5
237.04117	8.0
281.08838	100.0
282.09140	8.0
299.55908	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	281.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66412	1.0
59.01383	1.7
59.12431	0.9
70.60951	1.3
70.61268	2.2
71.01390	1.5
80.96517	1.3
98.22456	1.0
99.00899	6.5
101.04026	1.2
109.02949	3.6
109.06598	1.2
111.00867	1.0
119.05028	2.1
121.06607	1.6
125.02457	3.7
128.63043	1.2
131.05049	1.2
137.02454	11.0
137.06067	2.8
145.02950	1.5
147.04526	5.6
149.06088	3.6
163.03963	1.8
163.05403	1.0
165.05598	2.2
175.04033	10.4
176.01172	1.2
177.01909	3.6
178.02672	2.4
190.02710	1.6
191.03513	95.8
192.03958	4.0
193.05077	43.0
194.05481	1.4
196.76421	0.9
210.01671	1.7
219.03014	18.9
237.04063	100.0
238.04381	4.6
249.03998	2.6
263.02029	2.0
281.03024	22.0
281.06442	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	281.0881
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
55.01881	2.3
57.03454	9.8
58.00599	0.9
59.01383	15.2
59.85133	0.4
67.01891	3.6
68.99815	1.3
69.03461	2.2
71.01387	68.3
71.21252	0.3
71.25857	0.6
72.01722	1.0
72.99310	1.6
73.02952	1.1
74.99055	0.3
78.95893	0.5
81.03472	0.7
81.15543	0.3
83.01391	3.6
83.05038	0.7
84.02194	1.8
85.02957	80.1
86.00124	0.7
86.03294	1.1
87.00885	26.0
89.02429	0.7
91.04025	1.3
95.01396	9.0
96.96024	1.5
96.96987	0.6
99.00888	0.8
99.04538	1.0
100.01662	0.8
101.02479	1.6
102.05644	1.9
103.00386	6.9
103.04020	1.8
108.54030	0.3
109.02983	0.5
111.00887	4.4
112.01675	3.5
113.02460	100.0
114.02800	1.9
115.00403	0.3
127.04025	1.0
128.03569	1.2
129.01955	6.2
129.02855	0.5
130.88940	0.4
131.03499	3.4
134.83415	0.4
135.32130	0.3
139.00406	3.2
143.03450	0.9
145.06200	0.5
146.04614	2.9
157.01453	1.8
159.94525	0.4
161.04585	0.6
163.06168	0.4
172.01056	0.3
174.12553	0.4
175.88016	0.3
187.06151	0.5
189.04018	1.0
205.05229	0.6
205.07191	11.5
206.07544	0.5
237.09856	0.4
249.06174	3.9
260.83582	0.4
281.08801	78.2
282.09146	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	281.0882
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
55.01876	2.5
57.03452	10.5
59.01385	25.7
63.56147	0.9
67.01888	4.4
68.99818	1.4
70.61982	2.1
71.01389	73.5
72.99300	2.1
73.02942	2.4
75.00867	2.2
77.27404	1.0
83.01382	3.6
85.02959	82.4
86.00119	1.1
87.00883	25.1
88.98827	1.6
89.02445	6.9
91.04015	1.4
95.01397	10.7
99.00889	1.7
99.04557	1.6
101.02463	8.5
103.00381	7.6
111.00898	4.2
112.01701	2.6
113.02464	100.0
114.02795	1.5
119.03506	2.1
123.04595	1.7
125.02451	2.3
129.01990	5.1
131.03510	2.7
139.00412	2.8
144.08234	0.9
146.04533	1.3
157.01379	2.6
161.04533	2.2
163.03920	1.0
175.04034	1.3
191.03548	1.4
193.05017	1.7
205.03554	1.6
205.07217	11.2
237.04082	3.1
249.06186	5.7
281.08813	91.7
282.09122	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	281.1146
Annotation	Thr-Tyr
Peak:m/z	Relative Intensity
58.99606	2.1
59.01386	3.1
65.61025	1.0
68.01482	1.2
68.99986	7.0
69.00403	3.0
71.01376	3.2
74.02479	2.2
82.02982	2.7
84.04564	3.7
85.02962	4.1
93.03491	2.0
95.05058	1.2
96.96028	2.5
99.05622	1.2
101.07216	2.1
107.02570	1.7
109.02880	1.2
109.04082	3.1
111.04495	1.4
113.02472	3.4
122.03751	5.7
123.04540	33.4
125.02460	2.0
125.03630	1.3
127.05150	42.9
128.03546	8.0
135.04567	7.3
145.06210	16.7
152.07217	14.1
161.02744	1.3
175.07492	1.3
199.02495	1.5
206.08287	1.6
219.11482	2.5
220.09804	5.9
231.72485	1.1
235.10931	9.3
237.04018	2.3
237.12445	1.9
263.10400	9.1
270.71536	1.3
281.11456	100.0
282.11728	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	281.1397
Annotation	Octyl gallate
Peak:m/z	Relative Intensity
63.05590	2.0
68.02116	1.6
68.06849	1.8
74.41109	2.3
85.17410	2.0
111.00883	5.6
124.01691	5.2
125.02454	62.0
127.00412	4.1
127.82286	2.1
130.51039	1.8
136.04425	2.0
136.98843	6.2
138.59306	1.9
139.00394	7.8
140.01208	12.4
145.05655	1.8
146.15274	1.9
146.75610	2.0
150.21304	1.9
162.36320	2.1
168.00636	6.2
169.01445	44.6
190.03668	1.9
229.00775	2.9
281.13986	100.0
282.14420	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	281.1398
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
53.21482	2.6
53.56623	2.8
59.01373	11.8
69.11407	2.6
69.16099	20.3
71.01393	3.3
80.83005	2.6
81.07108	7.3
83.05029	7.4
85.02959	4.0
98.22530	5.3
107.08640	3.7
111.08135	3.7
121.06590	4.5
125.78284	3.1
139.07646	4.3
149.09698	3.5
175.14934	66.1
176.15239	4.1
193.15970	10.4
200.63362	2.7
219.13840	8.8
235.03966	3.1
237.14987	100.0
237.38145	3.2
238.15320	6.7
239.12901	3.6
266.05865	3.7
281.14008	42.2
281.17166	4.6
282.14328	4.8
286.31116	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	281.1398
Annotation	3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Peak:m/z	Relative Intensity
55.61762	1.7
57.03455	8.3
59.01394	2.6
64.55872	1.6
69.03446	2.5
70.89752	1.8
73.02945	7.4
85.06612	2.3
95.05035	1.5
97.74322	1.8
98.87865	1.5
108.30581	1.7
113.02485	3.4
123.08199	1.8
139.07639	2.3
140.99432	1.7
145.35753	1.7
147.08162	2.9
149.09651	2.1
156.99828	1.8
167.10760	4.7
167.66084	1.9
175.14914	20.1
177.12839	7.0
189.09248	4.6
190.97806	2.0
193.16159	3.2
199.13425	14.3
207.10184	1.7
219.13977	11.0
221.11824	5.3
234.74171	1.8
235.62450	2.0
237.14987	65.7
238.15408	3.1
263.13095	9.5
281.13980	100.0
282.14404	5.0
298.03824	1.9
304.83841	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	281.1763
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
51.02101	2.7
59.01372	7.2
62.10747	3.3
69.03463	3.5
69.52881	20.0
95.05039	3.8
98.22191	8.7
111.08172	48.6
124.92839	3.7
125.09740	15.5
150.10123	3.0
151.07668	6.5
158.21802	3.4
169.08728	100.0
170.09009	3.7
171.10333	5.8
183.10300	12.6
199.09821	4.1
219.17633	4.7
235.16966	4.8
237.15018	5.4
263.16498	20.1
281.17593	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1762
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03450	3.3
58.52380	1.2
59.01398	7.5
76.97369	1.4
79.70187	1.3
83.05050	2.0
95.05029	2.1
96.96033	2.4
97.06602	4.7
98.03736	2.0
98.22043	8.6
98.22727	2.1
111.08218	2.0
113.09735	5.8
137.09731	5.4
139.07635	2.8
139.11310	4.1
141.09241	12.6
149.09714	1.3
151.11237	2.0
153.09235	3.1
155.10741	3.3
165.09161	1.6
165.12865	18.8
167.10777	3.7
183.10309	3.5
191.14455	2.7
212.10519	1.6
219.17535	14.9
237.18654	7.1
245.15508	3.7
263.16541	37.1
264.16812	2.5
281.17596	100.0
282.17990	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	281.2125
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
50.59614	0.3
55.94954	0.3
63.97008	0.3
65.03980	0.3
67.01883	0.8
83.05030	0.5
97.02930	0.3
98.03706	0.3
125.02463	1.4
126.03278	1.7
143.85661	0.3
158.02219	3.2
167.63728	0.3
168.28755	0.3
209.19150	0.8
211.20741	0.5
219.21210	1.7
237.22134	0.3
253.21742	0.6
263.20184	1.0
281.21240	100.0
282.21582	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	281.2488
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.40609	2.6
70.54258	8.1
71.01391	28.4
72.02174	80.2
73.02930	3.4
92.83341	2.8
109.27848	2.7
149.18779	3.1
169.64522	2.8
194.47749	2.7
201.61467	3.0
233.58032	2.5
237.22226	4.0
242.00777	2.8
263.23770	39.9
264.24176	4.6
281.21774	6.0
281.24872	100.0
282.25192	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	281.2489
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
64.41962	2.9
66.91695	3.3
69.68064	10.6
69.68472	7.6
84.46397	3.3
94.37386	3.6
94.64905	3.2
95.80183	3.7
98.21770	6.2
119.42023	3.0
129.18719	3.3
134.93336	3.3
143.53809	3.7
143.70210	3.6
151.16228	3.5
183.11958	3.6
239.47093	3.4
281.24893	100.0
282.25180	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	282.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.4
66.00968	0.6
69.64502	1.2
73.50664	0.3
82.04119	1.3
87.49180	0.3
88.98809	0.5
93.04623	0.3
98.22491	0.5
107.03642	4.0
108.02049	8.7
112.05608	0.3
114.51528	0.3
125.02457	0.3
126.03113	5.8
133.01579	30.4
134.01952	0.4
150.04227	100.0
151.04700	1.7
152.01050	0.4
154.06267	0.5
168.98723	0.3
197.56572	0.4
282.08463	23.2
283.08823	1.0
283.26511	0.7
299.11780	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	282.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23344	4.0
73.02941	1.0
75.32572	0.5
84.18487	0.5
85.03001	0.6
93.03465	1.1
106.04272	0.9
117.03487	1.8
119.05038	100.0
120.04564	1.1
120.05400	3.1
121.02988	0.9
132.05820	8.3
133.06216	0.5
134.06090	1.6
135.04539	0.9
136.07695	6.6
136.08649	0.8
144.04596	1.1
144.08075	0.4
145.02974	6.6
146.03296	0.6
154.12943	0.5
160.04108	0.6
162.05614	15.2
174.05629	3.6
240.10181	1.1
282.11386	85.4
283.11758	4.6
283.15384	1.2
283.26590	0.9
294.81635	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	282.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23305	0.3
52.07748	0.3
71.25528	0.6
76.58717	0.3
93.03457	0.5
98.22198	0.4
106.04255	1.2
107.05007	0.4
117.03477	1.9
119.05041	90.3
120.04567	2.1
120.05387	2.6
131.05016	0.8
132.05829	7.7
133.05360	0.7
134.06113	1.4
136.07706	6.4
144.04601	0.6
145.02969	9.9
145.04120	0.5
146.03581	0.4
162.05621	15.8
163.05917	0.8
166.39420	0.4
174.05574	2.9
180.92757	0.3
221.15579	0.4
232.01640	0.4
240.10390	1.4
282.11383	100.0
283.11703	7.8
283.15475	1.4
283.26477	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	282.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13869	0.5
63.78373	0.5
70.58037	0.7
70.58371	0.9
80.34422	0.5
86.49323	0.5
88.34067	0.5
91.67713	0.5
94.02960	0.5
98.22768	0.5
107.05020	0.9
116.19182	0.4
118.06642	1.0
129.20007	0.5
133.02957	0.9
134.03757	3.1
135.04538	88.5
136.04016	2.0
136.04904	3.5
140.15460	0.5
147.04555	3.0
148.04155	1.1
148.05296	12.2
149.04745	0.8
150.82648	0.4
160.04082	1.9
161.02457	0.9
162.05667	0.8
176.03557	0.9
178.05106	27.5
179.05481	1.2
190.05133	6.2
191.05444	0.5
212.01430	0.7
240.10297	2.8
249.73096	0.5
260.41791	0.5
281.10168	0.6
282.11377	100.0
283.11703	7.7
283.26544	1.0
294.51501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.4
71.25757	2.2
72.29629	1.5
73.06953	1.6
78.95901	7.4
85.16672	1.6
96.96031	5.4
98.95609	2.5
111.24147	1.4
115.02515	1.7
141.99988	15.2
146.92671	1.4
157.03593	7.0
159.01524	2.3
174.08437	1.7
179.33951	1.9
184.01048	7.3
185.01123	2.9
201.02554	100.0
202.02734	5.9
228.96957	2.2
283.26434	22.1
284.01239	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	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.4
71.25757	2.2
72.29629	1.5
73.06953	1.6
78.95901	7.4
85.16672	1.6
96.96031	5.4
98.95609	2.5
111.24147	1.4
115.02515	1.7
141.99988	15.2
146.92671	1.4
157.03593	7.0
159.01524	2.3
174.08437	1.7
179.33951	1.9
184.01048	7.3
185.01123	2.9
201.02554	100.0
202.02734	5.9
228.96957	2.2
283.26434	22.1
284.01239	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	283.1455
Annotation	Tropisetron
Peak:m/z	Relative Intensity
52.45057	2.3
69.65357	7.7
69.65768	6.1
71.01353	3.3
72.00924	12.7
73.02952	4.7
74.02464	7.1
79.36903	2.4
85.06589	8.4
87.72133	2.5
91.56740	2.8
92.05059	7.0
93.13255	2.5
98.22435	4.1
101.06068	4.3
116.05073	100.0
125.02451	12.9
129.05873	3.4
131.07158	32.1
142.06616	12.5
154.06680	4.1
154.08757	67.9
161.04817	4.9
167.06161	5.8
169.01421	19.5
169.07727	76.3
170.08228	6.4
180.08098	4.1
183.04416	4.7
192.97462	2.6
196.11336	34.1
209.11806	2.7
210.12807	5.2
213.06717	27.0
222.12831	4.4
227.03552	12.5
239.15555	61.3
240.15697	5.4
255.03029	28.5
279.86826	2.6
283.02460	22.2
283.08090	3.4
283.11874	5.1
283.14539	96.8
283.26483	29.9
284.03177	15.6
284.14682	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	283.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93460	1.5
57.03459	10.1
59.01383	66.6
68.80357	1.7
69.06023	14.9
73.36173	1.4
139.05580	3.1
155.05031	3.4
163.11278	5.3
167.05019	4.5
171.04543	3.5
182.03708	2.8
183.04524	10.7
185.02437	2.7
195.04565	2.5
199.04048	6.7
210.03317	3.7
211.04008	16.8
213.01920	3.7
217.63791	1.5
226.02725	3.0
227.03526	18.6
239.03493	4.4
240.01645	1.5
255.03003	59.2
256.03378	3.9
283.02509	100.0
283.15463	16.5
283.26440	17.9
283.99945	2.9
284.02902	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	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29531	2.7
59.01389	29.3
66.05181	2.6
69.24036	20.5
72.85342	2.7
73.02952	100.0
78.87975	2.4
87.04509	5.8
91.84292	2.0
111.71903	2.5
165.12840	14.3
189.12854	21.6
207.13936	8.5
209.11819	17.3
221.15453	3.3
221.19064	5.3
251.12871	3.7
255.02979	3.5
265.14474	5.8
265.17709	2.9
283.02539	6.4
283.15564	8.9
283.19177	11.9
283.26303	22.8
289.30716	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	283.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.4
59.01382	100.0
61.98837	1.0
69.94086	2.0
69.94482	2.2
73.02945	2.1
80.02689	1.1
97.06568	1.2
107.05038	1.0
109.06597	4.4
121.06606	3.0
122.06075	1.0
133.06506	1.3
150.73657	1.0
151.51364	1.0
162.65044	1.1
169.01500	1.0
171.11887	1.0
189.12856	7.3
191.10826	2.9
207.13921	25.1
208.14241	1.9
216.53970	0.9
251.12906	4.6
255.02914	2.4
283.02621	1.2
283.05954	1.1
283.15530	4.8
283.19031	1.9
283.26382	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.72901	0.5
51.44772	0.6
64.33012	0.5
80.02421	0.5
80.37632	0.6
83.00255	0.5
88.48582	0.5
90.95107	0.6
95.01427	0.7
106.04263	0.6
107.05038	100.0
108.05371	2.3
123.04546	0.9
163.11299	95.2
164.11620	4.9
243.63440	0.6
270.87283	0.5
283.17059	73.1
283.22748	4.2
283.26404	2.1
284.17435	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	284.0568
Annotation	Cladribine
Peak:m/z	Relative Intensity
52.76601	1.5
59.01366	2.1
65.00300	2.2
67.01913	2.1
68.82348	1.9
71.01392	2.3
72.99295	2.7
83.01418	2.9
88.01413	1.7
98.22007	11.1
110.00091	3.3
111.00894	20.7
124.01666	5.9
127.00391	8.4
136.98802	16.2
139.00401	20.7
140.01167	37.5
151.00430	2.3
154.99899	2.5
168.00655	100.0
169.01024	3.5
213.05602	7.8
282.00259	2.1
283.26364	4.0
284.05734	14.6
285.04120	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	284.0932
Annotation	Stauranthine
Peak:m/z	Relative Intensity
53.81583	0.8
55.50309	0.7
59.01394	0.9
64.38197	0.6
65.00331	2.4
65.03971	1.5
66.03488	1.0
66.68771	0.6
67.01898	3.2
68.99812	2.3
69.90485	1.6
69.90875	1.6
70.02975	1.4
77.03973	1.2
81.03479	1.3
82.02990	0.9
84.60740	0.6
92.05099	1.5
93.03470	17.1
94.03001	6.5
95.01417	2.3
95.05024	1.1
102.03508	1.5
107.05101	1.0
108.02124	1.6
108.04571	13.4
118.03014	1.5
119.05038	6.1
120.03678	1.6
120.04570	43.0
121.02973	100.0
122.02492	6.0
122.03336	1.8
123.04544	13.5
132.04568	0.9
133.05345	2.1
134.06126	2.5
135.04543	0.9
136.04060	13.8
146.02493	1.2
148.04060	1.3
150.05627	1.4
160.04060	3.9
162.05687	0.8
164.03568	46.4
165.03969	1.1
168.17387	0.8
174.86380	0.8
176.03622	1.0
177.04413	0.8
178.05150	1.3
188.84145	0.8
197.09737	1.1
205.21973	0.7
209.03391	3.1
228.06740	1.0
228.10271	0.7
240.10327	32.2
241.10689	3.0
243.12279	1.5
256.09872	4.1
283.26498	3.2
283.99469	1.9
284.09320	87.8
284.26666	1.2
285.04089	1.6
285.09647	4.5
285.12509	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	284.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92290	0.8
57.03439	0.9
57.29979	0.7
58.00595	5.0
59.01385	86.7
60.01705	1.2
61.75515	0.8
68.62769	0.9
69.17849	1.9
69.18259	5.4
71.01389	67.5
72.01746	1.0
72.99316	5.8
73.02958	1.6
74.02469	0.9
74.84310	0.7
78.95920	3.0
83.01385	2.0
85.02967	11.1
87.00887	2.4
88.04015	1.0
89.02453	100.0
90.02794	1.3
95.01392	4.3
96.33480	0.9
101.02454	25.5
108.02176	1.5
109.02947	4.1
110.22266	0.8
113.02460	23.2
114.02832	0.9
114.05640	2.8
116.05058	2.1
119.03515	32.4
125.02449	1.5
130.08727	1.0
131.03532	2.4
132.03027	1.3
143.03546	3.6
149.04549	3.3
153.01909	5.4
161.04575	4.6
179.05627	10.6
183.61821	0.8
200.01163	1.5
203.08266	4.7
225.06509	3.1
264.70624	0.9
267.09943	1.6
283.99719	3.8
284.26666	4.9
285.00320	1.6
285.06281	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	285.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
71.01391	14.3
72.99314	4.1
88.98811	3.4
89.02454	2.2
89.40523	0.7
90.43441	0.9
93.99731	0.8
96.77263	0.8
98.22525	1.8
108.02188	26.2
109.02984	6.3
115.00388	45.5
116.00692	0.7
123.42640	0.9
125.02444	3.1
133.01447	100.0
134.01765	1.7
150.05266	1.0
152.01178	17.9
153.01970	11.7
157.08487	0.8
165.01927	0.8
169.01459	2.9
178.06023	1.4
182.53113	0.8
186.95590	1.7
195.08626	0.9
196.05846	3.9
213.08450	1.7
285.06250	18.4
300.86142	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	285.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30580	0.8
70.76485	2.0
71.01384	16.0
72.99323	5.0
73.49547	0.8
78.95903	1.6
87.00851	1.2
89.02448	2.1
108.02179	34.6
109.02997	5.3
114.05616	2.0
115.00383	43.1
116.00728	1.2
118.88396	0.9
125.02435	4.0
128.03548	1.3
128.21568	0.8
128.96819	1.0
130.63200	0.9
133.01442	100.0
134.01822	1.8
141.00464	1.4
149.01018	1.4
152.01167	21.4
152.97867	1.0
153.01962	9.3
169.01431	3.5
177.83191	1.0
212.99182	1.0
213.02344	1.0
285.01230	1.7
285.06238	18.4
303.65622	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	285.0402
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.57931	0.1
54.59240	0.1
62.93942	0.1
63.02402	1.8
65.00310	0.9
65.03983	0.2
65.90834	0.1
67.01896	0.3
68.59175	0.1
69.22971	0.1
79.01894	0.3
83.01392	1.1
89.03982	0.2
91.01913	1.2
93.03470	5.1
94.54104	0.1
95.01397	0.4
97.02965	0.1
104.67472	0.1
107.01399	4.0
108.02206	0.5
109.02982	1.9
117.03472	1.6
119.01392	0.5
119.05042	0.3
119.60140	0.1
120.02166	0.1
121.02969	0.4
123.00910	0.4
123.04554	0.4
129.07106	0.2
130.04256	0.6
131.05029	1.3
133.02965	0.5
133.06586	0.2
135.00902	1.8
137.02460	0.9
141.03587	0.2
141.07121	0.6
143.05042	3.4
145.02977	1.1
145.06595	0.6
147.04514	0.2
151.00392	1.9
153.01915	0.5
154.04288	1.1
155.05049	0.7
156.05853	0.7
157.02950	0.2
157.06593	2.0
158.03754	0.6
159.04521	4.1
161.02521	0.7
161.06100	0.2
163.00388	3.1
164.01144	0.5
165.01909	0.7
167.05031	1.4
168.05766	0.3
169.01497	0.2
169.02885	0.2
169.06592	1.7
171.04538	2.1
173.02444	0.6
173.06096	0.6
174.03186	0.3
175.04037	0.2
182.03737	0.6
183.04500	1.3
184.05295	0.8
185.06091	5.4
186.06473	0.3
187.04024	6.9
188.04358	0.3
189.05585	1.9
190.99883	0.2
195.04544	1.2
195.88429	0.2
196.05257	0.6
197.06108	1.3
198.03302	0.5
199.04013	1.5
201.05554	1.3
205.07397	0.1
210.03236	0.3
211.04030	3.4
212.04716	0.5
213.02071	0.2
213.05583	3.4
214.02745	0.9
214.05937	0.2
215.03525	0.7
217.05087	0.4
223.04018	0.5
226.02808	0.3
227.03519	4.1
228.03862	0.3
229.05066	17.9
229.25938	0.2
230.05336	0.8
239.03522	2.6
240.04272	1.5
241.05055	2.5
243.03015	1.0
255.03055	1.2
256.03735	1.3
257.04575	8.5
258.04877	0.3
267.03009	1.4
268.03775	0.3
284.03354	0.2
285.04059	100.0
286.04404	6.2
286.07648	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	285.0408
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.73849	0.1
55.65170	0.1
63.02407	1.7
65.00323	1.0
65.03980	0.4
65.33699	0.1
67.01907	0.2
68.99849	0.2
69.25797	0.5
69.26226	0.4
71.82803	0.1
79.01896	0.6
83.01380	0.8
86.69334	0.1
89.03944	0.3
91.01899	1.4
91.02350	0.1
93.03467	5.9
94.03793	0.2
95.01426	0.4
101.52209	0.1
107.01396	4.3
108.02232	0.3
108.42451	0.1
108.66079	0.1
109.02966	2.5
113.76325	0.1
115.05534	0.3
117.03478	2.4
119.01396	0.7
119.05077	0.4
121.02985	0.3
123.00903	0.3
123.04531	0.2
124.01650	0.2
129.07143	0.2
129.69040	0.1
130.04268	0.7
131.05037	1.5
132.02208	0.4
133.02954	0.2
133.06610	0.2
135.00887	2.5
136.01237	0.2
137.02470	0.8
141.07098	0.6
143.05032	4.5
144.05316	0.3
145.02972	1.1
145.06628	0.5
147.00876	0.2
147.04514	0.2
151.00371	0.7
153.01981	0.7
154.04253	0.7
155.05066	1.1
156.05844	1.2
157.02983	0.3
157.06610	2.7
158.03784	0.9
159.04535	5.8
160.04817	0.2
161.02469	0.5
161.06085	0.4
162.99001	0.2
163.00386	4.2
164.01120	0.3
165.01935	0.9
167.05037	1.8
168.05743	0.4
169.01523	0.2
169.02945	0.3
169.06619	1.9
170.03729	0.3
171.04532	2.1
172.05052	0.1
173.02513	0.6
173.06073	0.7
174.03221	0.4
182.03769	0.7
183.04535	2.2
184.05217	0.9
185.02554	0.4
185.06087	7.0
186.02994	0.4
186.06413	0.2
187.04021	9.3
188.04393	0.5
189.05576	2.1
190.99889	0.3
192.00684	0.3
195.04523	1.6
196.05284	0.7
197.06088	2.0
198.03186	0.5
199.04021	1.8
200.04401	0.2
201.05588	1.8
202.02655	0.1
210.03261	0.2
211.04016	4.9
212.04634	1.3
213.02069	0.3
213.05574	3.9
214.02702	0.8
214.05846	0.1
215.03574	0.8
217.05090	0.2
223.04050	0.5
224.04865	0.2
226.02689	0.2
227.03516	6.9
228.01567	0.3
228.02238	0.1
228.03857	6.6
229.05070	24.4
230.05455	1.2
239.03500	2.9
240.04237	1.5
241.05066	2.8
242.05452	0.1
243.03076	0.9
255.02988	2.1
256.03397	10.5
257.04559	10.7
258.04779	0.6
267.03009	1.8
268.03610	0.3
285.04022	100.0
286.04379	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	285.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73849	0.1
55.65170	0.1
63.02407	1.7
65.00323	1.0
65.03980	0.4
65.33699	0.1
67.01907	0.2
68.99849	0.2
69.25797	0.5
69.26226	0.4
71.82803	0.1
79.01896	0.6
83.01380	0.8
86.69334	0.1
89.03944	0.3
91.01899	1.4
91.02350	0.1
93.03467	5.9
94.03793	0.2
95.01426	0.4
101.52209	0.1
107.01396	4.3
108.02232	0.3
108.42451	0.1
108.66079	0.1
109.02966	2.5
113.76325	0.1
115.05534	0.3
117.03478	2.4
119.01396	0.7
119.05077	0.4
121.02985	0.3
123.00903	0.3
123.04531	0.2
124.01650	0.2
129.07143	0.2
129.69040	0.1
130.04268	0.7
131.05037	1.5
132.02208	0.4
133.02954	0.2
133.06610	0.2
135.00887	2.5
136.01237	0.2
137.02470	0.8
141.07098	0.6
143.05032	4.5
144.05316	0.3
145.02972	1.1
145.06628	0.5
147.00876	0.2
147.04514	0.2
151.00371	0.7
153.01981	0.7
154.04253	0.7
155.05066	1.1
156.05844	1.2
157.02983	0.3
157.06610	2.7
158.03784	0.9
159.04535	5.8
160.04817	0.2
161.02469	0.5
161.06085	0.4
162.99001	0.2
163.00386	4.2
164.01120	0.3
165.01935	0.9
167.05037	1.8
168.05743	0.4
169.01523	0.2
169.02945	0.3
169.06619	1.9
170.03729	0.3
171.04532	2.1
172.05052	0.1
173.02513	0.6
173.06073	0.7
174.03221	0.4
182.03769	0.7
183.04535	2.2
184.05217	0.9
185.02554	0.4
185.06087	7.0
186.02994	0.4
186.06413	0.2
187.04021	9.3
188.04393	0.5
189.05576	2.1
190.99889	0.3
192.00684	0.3
195.04523	1.6
196.05284	0.7
197.06088	2.0
198.03186	0.5
199.04021	1.8
200.04401	0.2
201.05588	1.8
202.02655	0.1
210.03261	0.2
211.04016	4.9
212.04634	1.3
213.02069	0.3
213.05574	3.9
214.02702	0.8
214.05846	0.1
215.03574	0.8
217.05090	0.2
223.04050	0.5
224.04865	0.2
226.02689	0.2
227.03516	6.9
228.01567	0.3
228.02238	0.1
228.03857	6.6
229.05070	24.4
230.05455	1.2
239.03500	2.9
240.04237	1.5
241.05066	2.8
242.05452	0.1
243.03076	0.9
255.02988	2.1
256.03397	10.5
257.04559	10.7
258.04779	0.6
267.03009	1.8
268.03610	0.3
285.04022	100.0
286.04379	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	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	1.6
65.00317	0.7
65.03960	0.5
67.01882	0.4
69.09987	1.6
79.01902	0.4
83.01382	0.9
83.25280	0.2
89.03970	0.3
91.01901	1.9
93.03461	6.2
93.67619	0.2
95.01389	0.5
96.99622	0.2
107.01394	4.0
108.02197	0.6
109.02976	2.5
114.73731	0.2
115.05525	0.2
117.03479	2.5
119.01406	0.5
119.05033	0.3
121.02925	0.3
123.00912	0.5
129.07056	0.3
130.04245	0.7
131.05048	1.8
132.02190	0.3
133.02985	0.4
135.00911	2.9
136.01280	0.3
137.02460	1.0
141.07115	0.7
143.05032	4.2
145.02977	1.8
145.06595	0.5
147.00822	0.3
151.00400	0.8
153.01944	0.7
153.49361	0.2
154.04253	1.2
155.05061	1.2
156.05800	0.8
157.02939	0.2
157.06601	3.1
158.03772	1.0
158.06912	0.2
159.04521	5.6
160.04941	0.2
161.02470	0.7
161.06017	0.3
163.00386	4.4
164.01089	0.4
165.01962	1.1
167.05023	2.0
168.05763	0.4
169.06601	2.0
171.04515	2.5
173.02448	0.6
173.06085	0.7
174.03242	0.4
175.03880	0.2
182.03757	0.7
183.04526	2.5
184.05278	1.1
185.02473	0.4
185.06088	7.1
186.03001	0.4
186.06438	0.3
187.04018	10.2
188.04373	0.4
189.05582	2.1
195.04553	1.6
196.05278	0.5
197.06058	1.7
198.03159	0.7
199.04015	1.4
200.04489	0.2
201.05624	1.9
210.03265	0.3
211.04018	4.9
212.04570	1.1
213.02081	0.4
213.05565	3.6
214.02693	1.2
214.05954	0.2
215.03609	1.0
217.05067	0.3
223.04120	0.5
227.03502	6.5
228.03868	4.5
229.05069	23.9
230.05405	1.4
239.03471	2.6
240.04294	1.3
241.05051	3.0
243.02966	0.9
255.03017	2.2
256.03415	7.8
257.04550	11.0
258.04858	0.6
264.51419	0.2
267.03033	1.5
268.03757	0.3
285.04037	100.0
286.04388	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	285.0409
Annotation	Kaempferol
Peak:m/z	Relative Intensity
51.23779	0.6
59.01369	1.1
63.02396	1.5
63.43771	0.6
65.00340	1.3
70.41990	0.6
74.12353	0.7
81.73166	0.6
82.23989	0.6
83.01395	1.3
93.03474	3.4
98.21809	1.5
98.22475	2.5
106.38342	0.6
107.01390	2.3
107.61720	0.7
117.03495	1.2
125.02339	0.7
133.02971	1.6
135.00891	0.7
143.05043	1.3
145.02954	1.2
151.00404	1.9
154.04253	1.3
157.06575	1.3
159.04544	1.5
161.02460	0.8
169.01471	1.0
169.06586	1.1
171.04524	1.1
171.10362	0.7
185.06117	2.3
187.04019	2.0
189.02040	0.7
201.05663	0.7
202.98787	1.4
211.04050	1.6
213.10397	1.5
214.02687	1.0
215.03531	0.8
227.03523	0.7
229.05026	2.4
239.03412	1.3
255.02950	1.1
257.04633	1.0
267.03174	0.8
285.04080	100.0
285.12466	1.9
286.04385	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	285.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59557	0.2
63.02394	0.8
65.00330	3.6
69.41438	1.6
83.01394	1.8
89.88323	0.3
91.55575	0.3
93.03463	0.4
95.77652	0.2
98.22512	0.3
104.02020	0.3
105.03478	0.7
107.01391	5.2
109.28699	0.4
121.02915	1.2
132.02182	0.7
133.02965	31.0
134.03284	0.7
143.04991	0.6
147.04536	0.5
149.02466	4.0
151.00368	9.3
152.00751	0.5
155.04959	0.3
171.04491	0.6
175.04008	5.9
180.06804	0.3
181.94495	0.3
185.06116	0.5
189.05611	0.4
197.06104	0.5
198.03229	0.8
199.04012	3.8
201.01968	1.9
213.05614	0.8
215.03539	0.7
216.69711	0.3
217.05089	2.8
223.04005	0.5
226.02815	0.3
229.05000	0.5
239.03445	0.4
241.05118	1.4
243.03026	1.1
257.04443	0.8
267.02832	0.7
285.04059	100.0
286.04401	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	285.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63836	1.5
59.01383	68.6
69.74441	8.1
71.01388	13.0
80.74256	1.6
85.02956	2.3
88.04052	5.4
89.02445	13.8
101.02435	3.6
109.02962	2.6
113.02473	4.6
114.04962	1.7
114.05624	10.0
115.00390	2.2
119.03551	3.1
119.05036	55.0
120.05428	2.0
120.99665	100.0
122.35661	1.4
125.02472	2.1
127.07686	2.0
128.79173	1.7
132.03065	6.0
149.02422	2.1
163.04065	4.3
165.26251	1.5
169.01425	2.6
170.08252	5.9
175.03981	3.5
179.05638	2.3
192.77618	1.5
199.03993	4.0
217.05130	2.6
225.16115	7.9
238.42386	1.6
241.05063	3.4
243.02757	1.6
247.19223	1.8
262.54205	2.0
269.99088	1.4
285.00793	3.5
285.04037	16.0
286.09299	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	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
63.67712	0.4
69.93400	0.7
69.93746	1.6
71.01388	2.0
72.99308	0.9
78.95908	1.2
81.03466	1.2
83.46502	0.4
88.98818	0.5
93.03475	0.6
94.48100	0.4
95.01343	0.4
108.02181	100.0
109.02977	20.8
109.34784	0.4
113.07318	0.4
114.05614	2.9
115.00390	5.3
121.02927	0.9
123.00855	0.6
125.02431	0.5
128.03552	2.4
128.96785	0.6
130.96545	0.4
133.00462	0.6
133.01443	10.5
133.02530	0.6
133.02980	0.9
135.00876	0.8
141.00468	0.7
146.30853	0.4
149.00912	0.9
151.02592	0.5
151.03970	1.4
152.01163	61.0
153.01952	34.8
154.02325	0.8
163.04036	0.8
165.02037	1.0
170.04616	1.3
195.01320	0.5
213.02547	0.9
277.56314	0.4
285.01004	1.8
285.06192	52.9
286.06512	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	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
70.62543	1.9
78.15192	0.7
108.02180	100.0
109.02997	17.3
110.26344	0.7
114.47798	0.7
121.60960	0.7
133.02951	0.8
151.03993	1.4
152.01160	62.9
153.01952	29.8
163.03981	0.9
165.01955	1.2
285.06195	54.5
286.06558	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
53.56158	0.5
57.04362	0.5
67.02950	0.5
71.70582	0.5
79.69798	0.4
92.74346	0.5
108.02186	8.3
109.02963	95.4
110.03304	2.7
123.00897	1.7
152.01163	13.8
153.01953	100.0
154.02313	2.4
178.81569	0.5
228.91934	0.6
285.06183	74.4
286.06552	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	285.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63285	0.5
59.00230	0.4
81.03468	0.5
94.47388	0.4
98.22572	0.8
108.02186	100.0
109.03003	15.6
110.03391	0.6
115.19135	0.5
123.04534	0.7
128.52464	0.4
133.02956	1.0
142.79730	0.4
145.59128	0.4
151.04037	1.4
152.01166	65.8
153.01958	30.9
154.02275	0.6
157.16354	0.4
163.04004	1.4
165.01920	0.9
178.75287	0.4
285.06183	55.1
286.06503	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1135
Annotation	Stemanthrene A
Peak:m/z	Relative Intensity
51.35881	1.0
59.01379	2.2
65.96097	1.0
87.61155	1.0
109.02898	1.3
122.99458	1.0
137.02464	3.4
138.03262	11.4
144.96941	1.2
153.05548	1.4
160.83429	1.2
164.01146	2.1
165.01949	13.4
166.02731	75.6
167.02940	2.6
170.02209	2.2
179.03500	4.0
223.07527	1.3
224.08418	5.1
228.70430	1.2
251.07211	2.3
252.07971	8.7
253.08815	1.2
261.17957	1.3
267.10272	4.8
270.08990	10.5
285.11353	100.0
286.11719	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	285.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	2.7
59.01378	1.3
66.03476	1.2
68.05054	4.1
71.01385	1.1
71.16185	0.6
71.26543	0.7
71.26942	0.8
73.02961	0.7
84.04546	1.9
89.53687	0.6
91.44521	0.7
110.09805	1.3
112.04032	1.1
126.09241	3.2
128.03546	7.1
129.10358	1.1
130.05109	100.0
131.05470	1.2
132.32010	0.7
143.11919	41.9
144.12285	1.0
154.08751	20.6
167.11922	1.2
171.11397	11.3
181.13490	5.4
185.12975	14.4
192.90469	0.7
204.20824	0.7
213.12445	7.0
223.14563	5.1
225.12370	1.6
241.15605	9.0
246.95903	0.7
274.64029	0.7
277.85504	0.8
285.00241	4.2
285.04025	4.6
285.14551	20.3
286.14948	0.9
290.63309	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	285.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78600	1.9
57.03432	5.9
59.01387	12.1
64.60117	1.8
66.91916	1.6
69.03465	2.6
71.01384	2.6
71.05019	8.1
71.26266	3.4
72.02148	3.9
73.02960	4.5
83.05027	2.1
85.02943	7.4
85.06490	1.9
87.04524	100.0
113.02470	15.7
121.30993	1.9
125.39373	1.7
135.11806	4.5
153.12888	9.6
155.10817	6.1
169.12305	3.9
171.13910	7.5
197.11765	2.1
215.12859	3.8
221.61026	2.1
269.36185	1.8
285.00363	15.6
285.03961	11.3
285.17093	54.2
285.20294	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	285.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97154	0.6
57.03458	5.3
59.01372	1.3
71.01426	0.8
71.05025	2.5
71.26923	0.8
73.02934	1.0
83.05035	7.2
85.02970	2.1
85.06596	0.6
87.04525	100.0
88.04857	1.5
99.04526	1.2
101.06085	6.5
109.06633	0.7
112.77917	0.5
115.07690	1.5
119.08707	0.9
123.08147	0.6
125.09772	0.7
133.10246	2.1
135.04535	0.8
135.11815	21.3
137.09740	1.6
147.11824	1.8
149.09779	0.7
151.11264	1.2
159.10271	0.7
175.04015	1.3
175.14931	0.7
177.12851	0.8
179.10751	0.7
183.13849	0.9
187.14990	1.8
193.15977	1.0
197.15521	1.8
198.07829	3.4
199.04050	1.2
205.15973	2.5
211.17047	1.8
239.16476	0.8
241.05089	0.7
241.18066	5.8
285.04044	10.9
285.07120	1.1
285.17105	37.0
286.04446	1.4
286.17493	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	285.2076
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
54.91737	0.4
56.01024	0.3
57.03480	0.4
57.31218	0.4
59.01364	1.7
70.36806	1.4
78.95924	0.5
83.05006	0.5
91.87975	0.4
97.06593	0.5
97.77905	0.4
101.61954	0.4
111.08173	0.9
113.09743	1.0
123.08211	0.7
125.09710	0.7
126.34032	0.4
127.11266	1.3
141.12881	0.8
171.10190	0.4
173.64981	0.4
190.06082	0.4
196.80319	0.4
202.98721	1.0
211.20695	0.7
239.20126	1.2
265.18112	0.8
267.19705	4.2
283.19208	1.1
285.04071	6.5
285.20731	100.0
286.04367	0.6
286.21021	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	286.2391
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.04770	0.7
57.60295	0.9
59.01396	1.6
63.71558	0.7
71.27430	1.3
74.06144	1.8
77.57189	0.8
80.30113	0.7
81.94379	0.8
98.22000	0.9
240.23351	2.7
242.21255	1.8
268.22928	1.2
273.40555	0.7
286.23907	100.0
286.98398	1.4
287.09232	1.1
287.24341	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	287.0565
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.48759	0.6
57.03453	17.1
63.02403	3.4
65.00320	8.2
70.00310	0.6
81.03463	3.1
83.01395	11.0
93.03472	2.9
95.01431	0.7
96.96052	0.9
107.01400	5.6
107.05044	0.9
108.02201	0.9
109.02950	1.2
111.00902	0.9
117.03513	0.9
119.05019	1.1
121.02986	0.7
123.04491	2.1
124.01669	3.6
125.02460	100.0
126.02798	2.4
131.05058	2.4
133.02994	3.5
134.03728	1.4
135.04549	2.4
137.02475	1.5
143.05014	0.7
145.02991	0.9
149.06027	1.0
151.00366	12.3
152.01180	10.5
153.01913	2.6
157.06607	1.5
159.04507	2.0
165.01953	1.0
172.05264	2.0
173.06129	5.2
175.03996	1.1
177.05583	14.2
178.05928	1.0
178.99861	7.7
197.06056	0.9
199.04048	1.3
199.07631	2.1
201.05592	10.9
203.03427	2.0
213.05627	1.6
215.07132	6.7
219.06610	1.7
225.05524	0.9
228.60600	0.8
241.05043	1.7
243.06618	15.0
244.07225	0.7
252.45499	0.6
259.06116	69.6
260.06375	3.4
269.04550	2.9
287.02158	3.4
287.05606	41.8
288.05927	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	287.0567
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
55.02363	0.3
55.58343	0.3
57.03429	0.7
59.01359	0.5
59.74053	0.3
62.11257	0.3
63.02403	1.9
65.00330	11.9
66.15422	0.3
67.10318	0.3
69.73450	0.3
71.26756	0.3
71.27130	0.4
82.04095	0.3
83.00947	0.4
83.01397	5.3
91.05573	0.4
101.78781	0.3
107.01398	15.2
107.05003	0.5
109.02969	1.7
117.03440	0.4
125.02461	5.7
125.96944	0.3
131.01407	0.4
133.02957	0.7
134.03763	2.0
135.04539	100.0
136.04874	3.2
137.02449	0.4
151.00381	79.4
152.00710	2.0
159.00858	1.1
161.02464	1.4
165.01895	0.8
165.83878	0.3
169.01424	1.7
177.01978	0.7
181.87323	0.3
187.00385	0.6
214.99942	0.6
230.99408	0.8
240.79356	0.3
242.99333	0.6
258.99008	0.8
269.04605	0.6
286.98410	1.2
287.05603	11.0
287.18747	1.1
288.06067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.3
59.01384	2.7
65.00330	3.7
67.01887	2.9
71.01371	2.6
83.01395	23.6
93.03470	9.3
95.01377	5.7
97.02979	3.9
98.22520	6.6
107.05042	4.6
108.02150	6.6
109.02972	51.5
111.00872	5.4
119.05061	4.0
121.02966	33.8
123.00900	3.8
123.04566	3.8
124.01680	22.7
125.01532	4.6
125.02460	80.9
131.05052	2.9
133.02954	4.3
135.04510	15.2
137.02460	84.1
143.04897	3.2
145.06622	8.3
147.04556	14.0
148.05276	4.9
149.02452	35.6
149.06134	5.2
150.03246	16.0
151.04051	18.7
157.06583	4.1
158.03763	3.8
159.04547	30.7
160.47687	3.3
161.02448	25.9
162.03207	4.0
163.03949	3.5
164.01117	7.7
165.01939	33.8
166.60867	2.9
169.01503	5.4
171.04552	5.5
172.05319	11.9
173.06084	28.5
174.03239	11.9
175.02536	4.6
175.04028	64.8
176.04689	6.5
177.01944	9.5
177.05591	15.4
183.04526	10.5
185.06158	3.3
187.03952	3.2
187.07574	4.4
189.05618	12.7
191.07150	10.3
197.06114	7.1
199.03989	8.4
200.04800	6.8
201.01987	4.8
201.05586	61.0
202.06017	4.0
203.03510	19.1
204.04144	4.3
213.05692	3.4
215.07112	16.2
217.05077	17.7
219.06639	24.0
225.05553	16.6
232.03038	4.5
241.05095	7.3
243.03009	6.2
243.06622	27.9
245.04567	11.2
258.05310	12.2
259.06107	70.2
260.06482	4.9
269.04572	14.5
287.05649	100.0
288.06149	6.2
298.87701	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	287.1292
Annotation	4-Hydroxy-(3',7'-dimethyl-1'-oxo-octa-2'-E-6'-dienyl)benzoic acid
Peak:m/z	Relative Intensity
57.03455	2.4
59.01377	1.8
60.90669	0.4
62.87914	0.5
64.47211	0.4
67.01914	0.6
68.99823	0.4
71.27806	0.6
79.01899	1.5
79.05537	1.0
81.03474	1.5
83.01389	1.4
83.66429	0.4
83.95691	0.4
93.03463	9.6
95.05046	2.9
97.06635	0.7
99.00880	2.3
99.04520	0.9
105.03458	2.5
107.01398	7.5
107.05043	0.5
107.47270	0.5
108.02193	0.7
121.02967	26.6
121.06613	13.1
121.07337	0.3
122.03751	0.6
123.04535	14.9
123.08185	0.8
125.02453	7.2
133.10213	0.6
137.09737	53.1
138.10107	2.2
139.04027	1.2
143.08669	1.2
144.05754	0.7
145.06618	0.7
149.02454	100.0
149.09743	0.7
150.02750	3.3
157.06485	0.7
159.00861	0.7
159.08220	0.8
161.02406	2.4
161.06058	0.7
161.09729	3.2
173.09795	0.9
175.11244	0.5
177.09222	1.9
185.09789	2.3
187.07640	1.1
187.11299	1.1
192.32237	0.4
195.08180	0.9
199.11256	1.6
200.12036	1.0
201.09157	1.0
201.12799	2.7
202.09866	0.7
203.10857	1.1
203.32233	0.5
205.08694	3.0
209.09782	0.7
210.10550	0.6
211.07669	1.5
213.09239	1.2
213.12849	1.5
215.10768	1.2
215.14372	0.9
217.12425	0.7
225.12912	1.4
227.10756	4.9
228.11452	2.0
241.12370	0.8
243.13898	9.1
259.13385	2.0
269.11768	0.5
286.98633	0.7
287.01892	1.4
287.05289	1.1
287.12894	31.8
288.13223	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	287.1503
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03465	1.4
59.01384	100.0
60.01712	0.6
60.99299	1.0
69.00076	0.5
69.06145	2.8
69.06554	1.8
70.62932	0.5
71.21888	0.5
73.02940	0.9
76.09881	0.5
99.04527	1.9
109.06594	0.7
125.02446	2.7
143.05089	0.8
159.04482	0.9
161.02499	0.8
165.12862	2.0
167.10774	0.6
171.04543	0.9
175.04028	0.7
175.45224	0.6
183.14040	0.6
187.03873	0.9
203.03586	1.0
207.13914	3.1
209.11833	7.5
213.01874	1.3
215.03610	0.9
225.14964	7.4
227.12909	51.9
228.13150	3.1
231.03044	0.8
241.01311	1.1
243.03030	1.4
251.12851	2.0
258.01773	0.6
259.02496	2.7
259.06165	0.8
269.11063	0.8
269.13959	15.5
270.14145	1.1
287.02008	26.6
287.15033	82.9
288.02292	3.4
288.15414	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	287.2232
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01371	0.8
78.86178	0.4
97.06585	0.7
98.21956	2.5
98.22646	0.6
99.08155	1.7
113.09696	0.6
115.06239	0.4
127.11301	0.6
141.12854	1.5
155.14378	0.6
189.40907	0.4
214.36874	0.4
241.21721	1.3
269.21274	3.2
285.20712	1.9
286.98343	1.1
287.22302	100.0
288.22601	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	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.04206	0.4
59.01388	0.6
67.14190	0.3
69.47691	2.4
81.03450	1.2
85.45329	0.4
92.05067	1.4
92.32980	0.3
93.03464	1.8
98.22285	1.0
108.04567	5.7
109.02954	4.9
121.02985	0.4
124.01640	0.7
129.53577	0.4
134.01433	0.8
134.02498	39.0
135.03317	8.6
136.04059	39.7
137.02454	1.9
137.04393	0.9
143.74985	0.4
148.04036	1.0
149.04857	1.0
155.70316	0.4
176.03546	4.6
177.04214	1.1
204.06711	0.6
260.16519	0.7
288.16077	100.0
289.16388	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	288.9993
Annotation	6-bromoharmine
Peak:m/z	Relative Intensity
65.47931	0.6
67.31176	0.5
83.01424	0.6
84.61852	0.6
85.18618	0.5
89.03953	0.6
95.05031	0.7
98.22633	1.4
105.03461	0.8
109.02954	2.5
117.03457	1.6
121.57168	0.7
123.04562	1.3
125.02451	1.1
132.02229	0.6
133.02957	4.8
140.19119	0.6
143.01341	1.5
145.02937	1.8
151.00366	2.0
153.01881	1.2
161.02451	14.3
162.02818	0.7
171.00911	2.0
173.02371	3.6
177.01936	2.8
178.99881	1.9
189.01945	55.3
190.02274	2.8
205.01448	2.2
214.99861	10.0
215.12794	0.8
217.01433	26.5
218.01775	1.7
232.00058	0.7
233.00900	2.0
238.48978	0.7
242.99341	8.5
243.99995	0.7
245.04553	0.7
245.08240	1.0
259.99628	2.1
261.00409	55.6
262.00800	2.5
271.02423	1.0
288.99915	100.0
289.06558	3.2
290.00293	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	288.9995
Annotation	Phelligridin J
Peak:m/z	Relative Intensity
59.01371	1.7
59.07661	1.2
65.00327	4.4
66.93358	1.4
71.26264	2.0
74.16135	1.2
75.02402	2.2
77.03979	1.4
80.85804	1.1
89.03979	2.2
93.03471	1.3
101.03992	1.4
105.03481	3.5
111.00861	1.8
115.01908	2.3
117.03487	13.3
119.01391	2.5
119.05064	1.5
121.02977	2.3
123.00925	1.7
123.04578	2.1
131.01363	2.5
133.02956	12.9
143.01407	8.0
145.02975	31.3
147.00879	3.8
147.04585	1.6
149.02400	1.6
151.00381	2.0
159.00893	9.1
160.01675	1.5
161.02458	28.5
163.04079	3.4
171.00905	16.9
172.01732	1.5
173.02467	18.1
174.22121	1.3
177.01942	8.6
187.00395	28.5
188.01042	1.7
189.01956	34.8
199.00426	2.0
200.01114	6.2
200.75905	1.3
201.01973	1.9
205.01440	7.8
207.02980	4.0
214.99870	19.4
217.01436	25.0
228.00708	6.4
229.01009	1.4
233.00897	6.9
242.99355	49.8
243.99887	4.0
244.98396	2.8
245.00935	52.8
246.01337	3.3
261.00427	12.4
270.98859	100.0
271.99399	6.0
288.99951	48.0
289.03143	2.8
289.16629	3.5
290.00516	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	288.9994
Annotation	6-bromoharmine
Peak:m/z	Relative Intensity
52.83612	0.7
62.83950	0.7
64.78514	0.6
68.95689	2.2
68.96113	4.4
89.03976	1.9
89.54029	0.6
93.03469	0.8
96.96036	6.3
100.89178	0.6
105.03484	1.8
109.02949	0.7
111.00892	0.9
112.85687	0.7
117.03477	4.7
121.02957	1.3
127.33046	0.6
133.02942	6.8
145.02969	2.8
149.02452	4.8
161.01123	0.9
161.02467	17.6
163.04031	1.2
165.01955	1.5
173.02451	1.9
177.01941	44.6
178.02266	2.0
189.01950	22.9
190.02249	0.9
193.01390	1.0
205.01428	43.3
206.01816	2.6
214.99680	0.8
217.01414	10.0
233.00925	47.8
234.01111	3.2
236.06075	0.6
245.00826	1.1
261.00409	37.6
262.00806	2.0
288.99927	100.0
290.00311	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	289.036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14035	0.3
57.03403	0.4
65.80960	0.3
69.24967	0.3
70.34484	0.4
81.03386	0.6
95.04973	0.8
97.02900	0.7
98.21670	0.4
98.40941	0.3
106.04194	0.6
109.02967	4.2
110.02468	0.4
121.02930	0.6
123.04526	2.5
125.02435	2.5
127.14816	0.4
133.02885	0.6
135.04453	0.4
137.02373	0.9
139.03981	0.5
145.02951	0.5
146.03645	1.0
149.02393	0.6
151.03951	1.3
159.04379	0.4
161.02362	1.2
161.03581	0.3
161.06070	0.5
162.03104	0.6
163.04073	0.3
165.01929	0.6
172.01564	0.6
173.02367	1.1
174.03172	1.3
175.04030	0.3
177.01866	0.9
179.03447	0.9
185.05975	0.4
187.03882	0.9
188.04742	0.4
189.00317	0.6
189.01942	7.4
190.02728	23.5
191.02995	0.9
193.01379	0.7
200.01147	2.8
201.01837	1.2
202.02719	5.5
203.07115	1.7
205.01369	1.2
205.04971	1.0
213.01923	0.6
217.01340	2.3
218.02216	24.5
219.02522	0.9
221.08136	0.6
222.01717	3.7
228.00644	6.3
229.01395	4.1
230.02094	1.3
230.99307	0.5
237.08067	0.3
243.67188	0.3
245.00938	4.7
245.08168	2.7
246.01689	5.0
256.00177	3.1
256.98221	0.4
257.00946	9.4
273.00494	2.4
274.01212	100.0
275.01535	6.2
289.03586	67.7
289.07083	5.7
290.03906	4.4
290.06967	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	289.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.28030	0.2
70.53821	0.3
70.54180	0.3
79.95761	0.9
89.03938	0.2
96.96022	100.0
97.95959	0.3
98.22370	0.2
106.00159	0.2
109.02934	0.4
117.03458	0.3
121.02962	0.3
123.04556	0.5
125.02415	0.2
133.03006	0.4
133.71265	0.2
137.02438	0.3
145.03006	0.2
149.02412	0.3
149.06113	0.6
161.02475	1.1
177.01939	2.0
189.01987	1.2
205.01443	2.3
206.01855	0.2
209.08246	0.3
217.01414	0.6
233.00937	2.2
245.08273	0.3
261.00397	1.8
271.50723	0.2
288.99957	4.6
289.03894	6.2
289.07132	0.6
290.00314	0.3
290.04074	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	289.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29731	0.8
52.27130	0.9
57.03460	6.4
69.03461	2.3
81.03474	6.6
83.01403	5.0
93.03468	3.7
95.01358	1.3
95.05035	8.8
96.96022	21.4
97.02962	15.6
99.04535	1.5
108.02175	2.4
109.02964	54.1
110.03304	1.7
116.37289	0.9
117.03529	1.2
121.02955	6.1
122.03751	2.1
123.04538	38.5
124.04880	1.1
125.02463	33.2
135.04553	4.8
137.02460	16.5
138.03227	1.6
139.04050	9.6
145.02948	2.7
146.03766	2.1
147.04547	1.7
149.02455	9.7
150.03221	4.0
151.02863	1.6
151.04024	16.8
152.04153	1.4
159.04547	5.3
160.05284	2.8
161.02400	2.5
161.06099	10.5
162.03275	3.0
163.04008	2.9
164.01184	6.2
165.01970	8.8
167.03526	3.4
173.06071	2.8
174.03221	1.5
175.03998	4.7
175.07635	4.7
179.03517	11.0
184.05235	1.1
187.03972	8.4
188.04776	7.6
201.05551	2.0
202.06372	3.5
203.07158	21.4
204.07446	1.3
205.05067	17.4
206.05469	1.0
212.04723	1.6
217.08698	1.2
221.08215	8.2
227.07159	2.4
230.05891	1.1
231.03026	1.4
245.08215	40.4
246.08569	3.6
247.06102	1.9
271.06091	1.7
289.07199	100.0
290.07584	9.4
292.63474	1.0
304.55524	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	289.072
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.74233	0.8
57.03452	5.2
61.71838	0.9
70.45132	0.8
70.57224	2.0
70.57554	0.9
77.55982	0.8
81.03459	5.0
83.01387	4.6
93.03457	2.5
95.05042	5.8
96.96017	11.1
97.02965	12.2
99.04536	1.0
107.13667	0.9
108.02180	2.2
109.02965	39.1
111.04453	1.0
117.03445	1.0
121.02976	4.9
122.03777	2.1
123.04538	28.3
125.01539	1.3
125.02466	23.6
131.65576	0.9
135.04543	3.4
137.02454	12.8
138.03268	1.3
139.03993	5.1
145.02942	2.1
146.03728	1.5
149.02472	5.6
150.03178	2.0
151.04044	12.2
152.04338	0.9
157.06613	1.3
159.04526	5.0
160.05292	2.7
161.02463	1.5
161.06059	6.1
162.03201	2.2
163.04013	1.9
164.01199	3.9
165.01921	5.7
167.03471	2.4
173.06129	1.2
175.03970	3.5
175.07680	3.0
179.03558	9.3
185.05879	1.0
187.04027	6.0
188.04800	4.7
201.05611	1.0
202.06421	2.3
203.03717	0.9
203.07158	13.7
205.05090	10.7
212.04811	1.2
221.08231	4.7
227.07144	3.3
231.02867	1.1
245.08206	35.0
246.08510	2.4
247.06161	2.1
267.60086	0.9
271.06116	1.6
289.07202	100.0
290.07513	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	289.072
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01916	0.3
57.03178	0.4
57.03449	6.2
58.59393	0.3
65.03972	0.4
67.01881	0.3
69.03448	1.5
69.92420	1.2
72.30965	0.3
76.43109	0.3
77.03936	0.3
80.02695	0.9
81.03463	5.6
83.01395	7.5
84.01717	0.3
85.02956	0.4
93.03462	3.3
95.01389	1.8
95.05036	9.2
95.53392	0.3
97.02962	15.6
99.04521	1.0
105.03477	1.0
107.05054	0.6
108.02190	2.1
109.02960	56.0
110.03300	1.8
111.04529	0.7
114.30499	0.3
115.05540	0.3
117.03479	0.8
121.02957	6.9
121.03770	0.5
122.03771	3.1
123.00943	0.7
123.04538	39.0
124.01662	0.4
124.04865	1.0
125.02457	32.4
126.02818	1.1
131.05022	0.9
133.02983	0.7
133.06657	0.6
135.04538	5.1
137.02457	18.5
138.03276	2.3
139.04030	8.8
143.05045	0.9
145.02959	2.6
146.03751	3.4
147.04539	1.0
149.02458	9.3
149.06126	0.6
150.03252	2.2
151.04021	19.0
152.04390	0.4
154.02730	0.6
157.06607	0.8
158.03680	0.5
159.04520	6.4
160.05325	3.4
161.02478	2.4
161.06094	10.0
162.03226	3.0
162.06375	0.4
163.04071	2.2
164.01169	6.9
165.01945	7.0
166.02692	1.0
167.03496	3.5
173.02356	0.6
173.06084	2.5
174.03279	1.1
174.06758	0.6
175.03995	4.2
175.07632	3.8
177.01964	0.5
177.05566	1.7
179.03517	11.8
180.03992	0.7
180.52893	0.2
183.04350	0.4
184.05283	0.5
185.06070	2.3
186.06802	0.4
187.04034	8.8
188.04803	7.0
189.02020	0.4
189.05373	0.6
191.03665	0.3
199.07655	1.6
201.05620	1.7
201.09038	0.4
202.06372	4.1
203.03491	1.1
203.07152	24.0
204.07501	1.0
205.05070	18.2
206.05403	1.0
212.04863	1.5
217.05202	0.6
217.08751	1.2
221.08212	7.9
227.07178	3.8
229.05048	0.8
230.05890	1.3
231.03055	1.5
233.01112	0.3
245.08209	39.5
246.08484	2.2
247.06133	2.9
271.06332	1.5
289.07199	100.0
290.07571	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	289.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11631	1.1
57.03450	6.5
57.27597	0.9
60.45002	0.9
69.03442	2.4
69.15701	7.9
81.03482	6.3
83.01396	6.2
83.70710	1.1
89.26493	1.0
93.03457	3.8
95.01379	1.3
95.05030	9.0
97.02959	13.3
97.41984	1.1
99.04557	1.0
108.02171	2.1
109.02962	50.2
110.03273	1.1
114.58498	0.8
117.03491	1.5
121.02932	6.1
122.03743	3.0
123.04531	33.9
124.04851	1.4
125.02460	33.7
133.02963	1.2
135.04529	4.4
137.02460	19.5
137.03407	1.8
138.03217	2.0
139.04015	6.6
143.05090	1.1
145.02960	2.1
146.03691	2.9
148.01701	0.9
149.02440	8.1
150.03168	2.6
151.04030	18.3
159.04530	6.2
160.05318	2.1
161.02409	2.2
161.06119	10.2
162.03189	2.9
163.03984	1.9
164.01187	6.4
165.01955	8.5
167.03482	3.3
169.21185	0.9
173.06064	2.8
174.03264	1.8
175.03992	4.1
175.07668	2.8
177.05551	1.1
179.03510	11.5
185.06036	3.1
187.03992	7.9
188.04797	8.4
199.07681	1.9
202.06377	4.1
202.47185	1.1
203.07152	24.3
205.05098	14.2
212.04788	1.0
217.08556	1.2
221.08220	7.3
227.07127	4.2
230.05940	1.3
231.02849	1.0
245.08205	40.2
246.08585	3.1
247.06064	2.2
271.06265	1.3
289.07199	100.0
290.07544	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	289.0722
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
50.49174	0.4
56.00743	0.4
57.03455	5.0
59.01375	0.6
59.01730	0.3
65.03944	0.4
68.99862	0.4
69.03468	1.9
69.06016	3.8
71.01371	0.6
72.75320	0.4
80.02682	1.3
81.03460	6.1
83.01395	6.6
91.32091	0.4
93.03477	3.5
95.01400	1.6
95.05032	8.7
97.02960	15.6
97.93176	0.4
98.21817	0.8
99.04535	1.0
105.03472	0.7
107.05053	1.1
108.02192	2.9
109.02962	54.4
110.03297	1.6
111.00883	0.5
111.04523	0.7
117.03512	0.6
121.02959	6.9
122.03767	2.1
123.00938	0.8
123.04541	37.6
124.04916	1.4
125.02463	30.3
126.02837	0.7
131.05063	0.6
133.02959	0.6
133.06650	0.5
134.49936	0.4
135.04546	4.6
137.02463	17.9
138.03191	1.6
139.03050	0.6
139.04037	7.9
143.05046	1.1
145.02986	2.3
146.03766	2.8
147.04526	1.4
149.02460	8.8
149.06023	0.6
149.64037	0.4
150.03239	2.1
151.04027	20.0
152.04396	0.9
154.02728	0.4
157.06589	0.7
159.04547	5.1
160.05359	3.1
161.02480	2.2
161.06104	9.7
162.03238	4.3
162.06398	0.5
163.04027	2.1
164.01144	6.4
165.01949	7.6
166.02722	1.2
167.03513	3.4
173.06122	2.4
174.03197	1.2
175.04027	3.9
175.07643	3.9
177.05602	1.5
179.03511	11.7
180.03915	0.5
181.06633	0.5
185.06064	1.7
187.04018	8.8
188.04805	7.6
189.02032	0.5
199.07635	1.4
201.05629	2.0
202.06339	3.3
203.03435	0.8
203.07158	23.4
204.07495	1.1
205.05072	16.5
206.05406	0.9
206.93880	0.4
212.04805	0.8
217.05090	0.6
217.08707	0.9
221.08240	7.4
222.08456	0.4
227.07175	4.1
229.05176	0.7
230.05898	1.2
231.02910	1.2
245.08203	39.0
246.08640	2.6
247.06085	2.0
254.81549	0.4
271.06061	2.0
276.15189	0.4
289.07205	100.0
290.07544	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	289.0723
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
51.03409	0.5
57.03456	4.0
59.01373	1.2
59.28255	0.5
65.00264	0.5
67.01858	0.6
69.03455	1.5
71.27766	0.6
80.02669	0.7
81.03473	3.0
81.69299	0.6
83.01390	4.4
85.02959	0.9
93.03450	1.7
95.01410	1.9
95.05041	4.4
96.96020	20.1
97.02959	8.5
99.04533	1.4
99.23954	0.5
105.03537	0.6
107.01400	16.0
108.02197	1.5
109.02963	31.3
110.03315	1.0
111.00878	1.1
117.03539	0.6
121.02980	4.0
122.03745	1.8
123.00916	1.4
123.04533	24.2
124.01703	0.8
125.02457	52.3
126.02812	1.1
127.00403	0.7
133.02968	1.1
135.04544	2.5
137.02452	10.8
138.03250	1.5
139.00378	1.1
139.04036	5.2
140.01227	0.9
143.05020	0.6
145.02911	1.5
146.03714	1.9
147.04570	0.7
149.02472	5.1
150.03201	1.6
151.04016	11.6
157.06679	0.6
158.26956	0.5
159.04538	3.8
160.05310	1.5
161.02478	2.5
161.06113	5.9
162.03191	1.6
163.03967	2.0
164.01212	3.7
165.01939	5.3
166.02574	0.7
167.03491	2.3
169.01434	47.3
170.01785	0.9
173.06087	0.9
175.04066	2.5
175.07669	3.6
177.01923	1.9
177.05562	1.2
179.03497	6.5
185.06073	1.0
187.04024	4.9
188.04744	4.1
189.01924	1.6
197.62202	0.5
199.07678	1.2
200.40685	0.5
201.05580	1.2
202.06371	2.1
203.07146	13.5
204.07378	1.1
205.01404	1.3
205.05042	9.3
206.05420	0.6
212.04836	0.6
217.01418	1.5
217.05023	0.7
217.08646	0.8
221.08231	5.2
227.07130	1.8
230.05836	1.1
233.00902	2.1
243.03029	0.9
245.08174	22.2
247.06104	1.9
261.00507	2.7
271.02475	0.7
271.06158	1.1
289.00415	5.1
289.07193	100.0
289.10992	6.5
289.20169	1.6
290.07529	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	291.015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85620	0.6
68.97281	1.4
68.97695	5.2
71.66901	0.5
87.22562	0.6
90.40590	0.6
91.05515	1.0
96.96033	1.2
98.95579	4.1
103.05592	1.2
105.03477	5.3
117.28500	0.5
119.05030	6.0
121.06593	0.7
121.60697	0.5
130.84514	0.6
131.05057	2.5
133.02950	1.6
135.04489	0.8
145.02963	2.5
147.04547	12.7
148.04832	0.6
149.02477	0.7
158.03778	1.2
159.04552	4.1
161.02419	1.4
163.04082	1.9
173.02458	2.6
175.04030	45.5
175.94423	0.6
176.01149	1.0
176.04379	2.4
177.05594	2.7
190.02744	2.6
191.03531	9.5
192.03838	0.8
201.02068	1.1
203.03532	29.3
204.03847	1.3
219.02982	4.2
221.04512	5.1
243.50407	0.7
247.02501	100.0
248.02846	5.2
291.01495	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	291.0149
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
53.03831	0.5
62.00580	0.6
65.00317	0.9
69.75815	1.2
69.76206	1.5
78.72126	0.6
89.04010	0.6
94.31437	0.6
98.22471	1.0
100.41122	0.6
105.03488	0.8
105.90913	0.6
107.05006	1.1
111.00861	0.9
117.03446	1.8
119.05017	2.0
121.02959	1.2
123.00875	2.2
129.03430	0.8
131.05066	0.7
133.02927	1.1
135.04541	1.5
138.66780	0.7
142.54248	0.7
145.02991	7.2
147.04526	2.7
149.02472	1.4
157.02901	1.3
161.02449	3.7
163.00369	0.6
163.04037	3.8
169.01465	0.8
173.02467	6.3
174.03265	0.7
175.00467	0.6
175.04022	2.6
176.01170	0.9
177.01939	6.5
178.78627	0.6
185.02428	0.6
189.01921	4.6
190.02756	3.7
191.03513	13.5
201.01936	5.7
203.03487	2.2
205.01335	3.9
207.03076	3.7
217.01411	13.7
218.01952	1.3
219.03003	13.3
220.03337	0.9
221.67436	0.7
229.01453	4.9
235.02565	1.2
245.00897	22.9
246.01654	1.1
247.02467	13.4
263.01987	7.8
264.02454	0.6
273.00427	11.8
274.01062	1.4
291.01483	100.0
292.01840	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	291.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20318	0.3
56.23478	0.3
67.14189	0.3
70.81712	0.8
95.23180	0.3
96.96004	0.4
98.95594	1.4
107.05020	0.6
117.03519	0.4
119.05034	2.5
121.02956	0.4
131.05090	0.6
133.02943	0.5
135.04523	1.4
145.02983	2.8
147.04514	3.4
161.02454	0.5
163.04059	3.0
173.02454	3.9
174.03075	0.7
174.78108	0.3
175.03996	2.5
176.01154	0.6
177.01913	0.6
190.02722	3.6
191.03520	15.6
192.00673	0.3
192.03825	0.4
201.01913	1.3
203.03537	1.3
205.01497	0.6
217.01389	0.6
217.74696	0.3
218.02214	1.2
219.03008	6.6
229.01451	0.6
247.02490	100.0
248.02829	5.5
273.00348	0.3
291.01520	10.2
292.01846	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	291.0149
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
53.43772	0.5
55.41532	0.4
68.99795	0.4
74.12143	0.4
91.03133	0.4
98.21790	0.7
105.03456	0.7
119.05003	1.6
124.03433	0.4
133.02988	0.5
135.04468	1.0
145.02931	3.1
147.04543	3.2
159.04602	0.5
161.02469	0.5
163.03993	2.7
173.02438	3.5
174.03143	0.5
175.04039	2.6
176.01109	0.5
183.49207	0.4
190.02763	4.2
191.03517	13.4
192.00505	0.6
192.03798	0.7
201.01939	0.7
201.85312	0.5
202.17810	0.4
203.03516	1.1
219.03006	5.7
246.01843	0.5
247.02486	100.0
248.02847	5.4
288.44177	0.4
290.98212	0.6
291.01477	12.2
292.01773	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	291.015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17091	7.9
91.05532	2.1
98.31577	1.0
99.86495	1.0
103.05569	2.6
105.03468	10.0
110.90059	1.0
115.05611	1.5
119.05065	10.3
130.04262	1.9
131.05035	4.5
132.02173	1.3
133.03015	1.4
141.93176	1.0
145.02957	2.2
147.04544	21.9
149.02408	1.2
158.03745	4.9
159.04550	9.6
160.01752	1.2
161.02420	1.3
173.02472	1.8
175.04024	100.0
176.04370	3.4
177.05576	8.2
191.03519	6.8
201.01936	1.2
203.03525	65.2
204.03845	3.8
219.03004	3.2
221.04552	13.5
245.00903	1.4
247.02496	96.6
248.02829	6.0
255.00732	1.0
291.01501	26.6
292.01993	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	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
60.97521	0.3
64.38746	0.2
71.03481	0.4
74.99080	1.7
82.14050	0.1
87.00846	0.2
93.00130	0.3
98.99324	0.1
111.08150	0.3
119.94665	0.2
134.99379	0.4
149.00967	2.2
150.98912	0.2
161.06407	1.0
165.12772	0.2
185.11758	0.2
192.98161	1.6
195.13951	0.3
206.99745	0.6
209.01294	4.6
210.01378	0.2
210.99196	0.2
217.07251	2.2
218.07489	0.2
223.02974	0.2
225.00755	0.6
247.02466	1.6
263.10788	0.3
275.05981	0.6
289.07605	2.4
290.07791	0.3
291.09131	100.0
291.19635	4.3
292.09244	9.6
292.19962	0.2
309.10278	1.5
310.10074	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58437	1.9
56.57835	2.0
57.03180	2.0
59.01372	7.7
61.98835	2.2
65.52666	1.9
70.50832	5.8
70.62390	2.3
89.51228	2.2
111.08161	15.9
121.02962	6.4
124.42516	2.6
139.61490	2.1
167.10741	3.9
175.04037	6.7
177.12914	3.1
191.03404	5.4
195.13939	10.9
203.03477	4.8
209.04489	4.2
247.02536	33.4
247.20659	2.9
277.52075	2.2
291.01437	4.2
291.19699	100.0
292.16959	2.4
292.20035	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	291.1972
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01384	1.1
61.98837	0.4
64.30930	0.4
69.30424	0.3
70.57681	0.6
73.96020	0.4
77.31044	0.4
97.06606	0.6
106.04268	0.3
119.05084	0.4
121.03001	0.4
125.06088	0.4
127.11233	0.4
148.08974	1.8
150.10495	1.5
151.11356	0.5
163.11301	1.5
165.12860	22.5
166.13197	0.6
175.04050	1.4
175.11301	0.7
176.12090	0.6
177.12901	0.6
191.14471	0.5
203.03488	0.6
217.15933	0.6
218.59375	0.3
245.19081	0.6
247.02481	2.9
247.18069	0.6
247.20680	12.4
248.21063	1.3
273.18646	6.4
274.19031	0.6
291.19687	100.0
292.20044	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
59.16204	0.6
70.34432	0.6
71.01366	0.7
83.22044	0.6
83.95632	0.7
93.07126	1.5
97.06605	3.1
121.10241	13.1
123.08161	1.9
125.09747	7.2
141.12843	1.7
163.27400	0.6
171.10278	0.8
185.11862	14.9
195.14052	0.8
197.11867	3.6
209.11899	1.7
211.13383	1.5
223.13417	1.1
247.02368	1.2
247.20644	2.4
273.18503	1.2
289.18277	0.7
291.19693	100.0
292.20078	8.6
313.76563	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	292.8515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53772	0.7
59.01372	0.9
69.68097	0.7
70.44100	1.3
75.00866	0.8
78.95911	6.3
86.12051	0.7
96.96031	1.5
96.96986	1.1
126.94413	100.0
127.94809	0.8
131.08348	0.9
134.93556	0.7
144.95485	1.1
165.04106	1.3
217.64651	0.7
264.85587	8.4
292.85153	54.8
293.85641	1.1
296.05374	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	293.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88607	1.2
55.01881	3.5
57.03450	11.3
59.01377	3.1
62.36422	1.3
65.95153	1.4
68.99819	2.5
69.03474	1.4
71.01379	7.7
71.27169	2.1
77.12658	1.2
83.01391	4.0
84.02169	5.1
85.02960	83.6
92.05089	4.1
93.03490	4.4
95.01451	1.9
96.96019	2.8
99.00887	2.3
101.02480	1.8
111.00908	7.0
113.02446	2.8
117.03468	14.7
119.05042	80.5
120.05388	4.3
121.02974	1.6
123.00869	1.7
125.02464	9.7
129.01952	30.8
131.05078	2.2
133.06630	2.3
136.04045	4.8
137.02449	1.6
145.02968	100.0
146.03271	2.7
147.03000	4.8
147.04561	5.5
156.03043	4.2
158.03735	2.0
159.04549	5.5
160.05231	1.6
161.04567	3.9
161.05991	1.6
163.00493	1.7
163.04019	41.7
163.05431	2.3
164.04347	2.3
175.04027	2.5
177.01939	1.5
177.05577	2.3
185.06201	2.1
203.03526	5.3
203.07172	5.2
221.04652	1.6
231.03183	7.4
231.06595	22.9
234.93359	1.4
237.20667	1.3
249.04031	17.2
275.02203	1.9
293.03064	6.7
307.32709	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	293.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03182	0.6
57.03450	10.4
58.00586	0.4
59.01384	8.0
68.99810	0.5
69.40280	2.3
71.01024	0.6
71.01386	5.7
72.99316	3.6
83.01389	1.4
84.02172	2.2
85.02956	100.0
86.03290	1.7
88.04042	5.3
89.02464	2.7
97.04352	0.4
101.02443	1.7
103.00401	1.1
113.02448	0.7
114.01990	0.7
115.00381	2.3
117.03462	5.2
119.03529	0.7
119.05058	2.4
125.02448	0.5
129.01981	0.5
132.03041	17.4
133.02991	0.5
135.04559	3.0
145.02963	20.6
146.03334	0.8
147.03008	48.3
148.03360	0.8
161.02452	0.9
163.04031	1.7
169.01447	0.6
179.03496	0.8
180.57277	0.3
250.07352	0.4
276.63403	0.4
293.03528	0.4
293.06680	1.4
293.12369	2.2
294.06418	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	293.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.5
55.01870	1.7
57.03188	0.5
57.03456	9.3
58.00586	0.8
59.01385	21.0
68.99827	0.5
69.03435	0.5
69.07476	0.8
69.07878	2.2
71.01390	12.1
72.98985	0.3
72.99321	2.8
73.02948	0.5
76.02243	0.4
83.01396	2.6
84.02187	2.4
85.02959	100.0
85.06592	3.1
86.03288	1.3
87.00880	0.9
87.97739	0.4
89.02454	12.2
93.03470	0.7
95.01389	1.2
98.21746	0.4
99.00891	0.5
100.00417	0.5
101.02452	7.5
103.00356	0.7
103.17603	0.4
107.01392	0.4
109.02915	0.5
111.00887	1.5
113.02480	5.0
113.06097	9.5
117.03483	7.0
119.03535	4.6
119.05024	2.8
123.00868	1.8
124.01626	0.7
125.02460	6.1
129.01961	2.0
131.03513	0.5
131.05055	0.5
131.07156	11.6
132.03043	1.2
133.02972	0.6
135.04489	0.5
137.02406	0.5
139.00374	0.5
140.01118	0.5
143.03488	0.5
145.02972	21.7
146.03259	0.4
147.03014	50.0
148.03398	1.0
149.02440	0.7
151.00375	0.7
159.04578	1.9
161.02434	1.1
161.06071	0.5
163.00351	1.0
163.04007	1.6
169.01453	6.1
173.02512	0.9
173.08101	0.5
175.03996	2.0
177.01997	2.2
177.05640	0.4
179.05600	0.9
187.04013	1.0
189.01825	0.4
190.02701	0.9
191.03487	0.6
201.01907	0.8
203.03532	4.1
204.03862	0.4
205.05124	2.1
221.04604	2.2
229.01530	2.1
231.03017	2.8
245.24217	0.4
247.02435	1.6
249.04192	2.1
253.02927	0.4
273.00519	0.7
275.01987	0.6
293.03363	5.0
293.06775	2.6
293.12445	34.0
293.53033	0.6
294.12793	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	293.0669
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
55.01889	2.9
55.23692	2.3
59.01377	18.7
67.01888	2.9
68.99820	10.0
69.03426	5.3
69.66716	6.4
69.67109	6.3
70.41748	2.3
71.01383	24.7
71.89619	2.5
72.99302	8.4
73.02947	24.4
75.00886	17.3
83.01388	8.9
85.02951	20.7
86.00106	7.1
87.00887	57.1
89.02449	7.1
90.77088	2.4
91.01888	3.3
93.03481	19.9
95.01410	9.7
96.99326	4.2
97.02970	7.3
98.22433	3.8
99.00871	19.6
101.02472	13.4
103.00390	5.6
104.27901	2.2
107.05042	2.7
109.02942	3.3
111.00879	12.6
111.25173	2.5
113.02460	2.9
115.00389	23.3
117.01963	2.8
117.03469	23.5
118.05098	2.5
119.01379	3.5
119.05041	100.0
120.05349	3.5
121.02966	7.9
123.00912	11.2
123.04579	3.9
124.01631	3.0
125.02466	18.9
127.00409	5.2
129.01962	16.3
130.04227	2.4
130.79266	2.7
131.05031	10.1
133.02954	20.6
133.06596	8.9
134.03708	6.8
135.04533	13.2
137.02454	4.5
141.01935	3.3
143.05034	21.5
143.39943	2.4
145.02966	43.6
145.06567	10.1
147.02917	4.3
147.03242	4.3
147.04538	44.1
149.02437	8.1
149.06091	6.3
151.00378	3.0
155.03508	9.9
158.03775	3.9
159.04546	31.6
161.06096	49.9
162.06369	3.1
163.00410	24.9
163.04013	25.9
164.01120	6.2
165.05540	3.1
169.01448	8.6
171.04553	37.9
171.09364	2.4
173.02374	4.1
173.06068	15.4
174.03174	5.4
175.04013	46.8
177.01926	15.3
177.05602	39.2
185.00900	3.1
187.04021	29.3
189.05577	70.8
190.02603	6.1
191.03488	4.9
191.07204	4.5
193.01437	3.3
199.04045	4.1
201.02055	3.5
203.03511	33.6
204.04114	4.0
205.05061	60.9
207.06676	4.5
215.03546	8.2
217.05086	48.5
218.05449	3.4
218.39417	2.6
219.03056	3.0
221.01086	3.3
221.04549	20.9
229.01503	4.4
231.03017	27.9
231.06685	7.0
233.04515	10.9
247.02406	6.8
247.06194	7.2
249.04123	19.3
261.03961	15.3
265.03458	5.0
275.01929	6.7
293.03085	45.5
293.06708	68.1
294.06900	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	293.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55739	1.1
59.01393	6.2
59.14034	1.1
70.22604	4.1
71.01393	6.8
71.71418	1.3
73.02941	1.2
74.02480	24.6
76.75150	1.2
77.58403	1.2
80.96535	1.9
82.03020	2.1
82.07207	1.3
84.00917	12.6
84.04550	3.5
85.02979	1.4
89.02461	5.3
90.00161	1.1
92.05074	100.0
93.05420	3.4
98.02493	9.0
112.04060	14.8
125.02448	3.3
130.06654	10.8
131.05061	1.4
132.52869	1.1
136.04056	76.1
137.04387	3.0
145.03026	1.8
146.06233	1.8
156.03049	74.8
157.03340	2.6
163.06012	1.2
174.05641	19.5
187.08815	4.1
213.06715	2.3
218.04617	23.1
224.74203	1.3
231.02817	1.3
231.07715	1.4
244.84355	1.4
258.46902	1.5
293.07755	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	293.1036
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
57.03447	5.8
59.01377	6.0
60.57801	3.2
67.01275	3.1
67.13715	3.3
69.03482	3.7
70.96667	5.2
70.97015	7.3
74.84547	3.2
79.05533	5.4
81.03468	3.9
83.05089	3.9
84.33675	3.1
85.02966	9.2
89.02457	4.7
95.05034	16.6
96.96020	4.6
97.02943	21.3
107.05054	9.0
109.02961	18.7
109.06620	13.0
111.04533	19.5
121.06606	11.6
122.03748	66.9
123.04552	7.5
124.05314	34.2
125.02474	4.5
125.06102	9.8
130.45070	3.9
131.74493	3.7
135.04533	15.4
136.05356	8.0
137.06102	31.1
138.06876	20.6
139.07664	100.0
144.52344	3.1
145.02991	10.3
145.10298	3.8
147.08148	5.3
161.02464	4.3
163.07640	6.5
163.11327	10.4
171.08215	17.1
177.12891	5.8
185.09663	5.0
187.11285	76.6
189.09259	11.6
190.10039	10.8
198.30840	3.7
205.12378	54.5
206.12842	5.3
231.10249	18.1
249.11325	34.9
274.05640	4.0
293.10352	40.1
293.13303	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	293.1146
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
54.72229	0.8
57.03445	1.5
58.00582	0.9
58.02963	1.5
59.01383	28.0
61.94810	0.8
69.03436	1.0
71.01387	17.8
72.00906	6.1
72.99300	1.9
74.02476	2.3
82.03000	2.9
83.01419	1.4
84.04534	1.2
85.02962	21.5
89.02454	20.8
91.05543	2.4
95.01411	2.2
98.21737	2.4
99.05669	0.8
101.02443	7.6
107.01395	2.4
107.02494	1.2
109.04090	3.6
113.02460	6.2
113.06098	12.0
117.03503	1.0
118.06648	1.0
119.03509	7.1
119.05050	2.8
119.96718	0.9
123.00893	3.0
124.02811	1.3
125.02454	9.0
127.05157	23.8
128.03555	100.0
129.03860	1.8
131.07143	1.4
135.88159	1.0
139.00327	1.2
140.01180	1.0
143.03517	0.9
143.78470	0.8
145.02980	5.3
147.03030	7.7
147.04529	25.9
151.00363	2.6
162.05632	1.2
164.07182	56.1
165.07547	2.7
169.01447	10.6
170.01842	1.2
173.02452	2.0
175.04039	3.9
177.02051	1.1
179.05609	1.4
185.02452	0.9
189.01997	1.1
201.02017	2.0
203.03516	5.7
204.03842	1.0
205.05042	1.2
213.10321	2.5
219.03058	1.1
229.01401	2.8
229.70549	1.1
230.01775	1.1
231.02975	1.7
231.11360	2.6
247.02501	2.1
249.12440	1.3
257.09348	10.9
273.00546	1.3
275.10413	17.9
276.10864	1.1
293.03195	4.2
293.06253	1.2
293.11823	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
58.00584	2.0
59.01381	96.4
60.14711	0.9
64.68337	1.0
64.75340	1.0
70.85986	2.1
71.01385	44.8
72.99300	4.0
73.02910	1.3
83.01363	2.6
85.02956	11.3
85.06586	3.1
87.00856	1.2
88.04061	2.4
89.02451	48.4
95.01398	3.1
101.02444	32.0
104.66551	1.1
113.02450	18.4
113.06103	7.3
115.00304	1.3
119.03506	23.4
125.02390	2.2
127.32488	1.0
129.16403	1.1
131.07158	11.0
132.03024	9.5
135.04492	2.4
143.03470	1.2
147.02982	1.1
151.00352	1.0
169.01460	2.3
169.99355	1.0
175.04019	1.8
179.05690	1.2
203.03552	1.4
207.85632	1.0
218.65453	1.0
293.12424	100.0
294.12735	5.6
303.01364	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03453	4.7
57.08079	0.6
58.00600	1.6
59.01386	54.4
60.59071	0.6
65.83647	0.7
70.72697	1.5
71.01391	27.2
72.01720	0.9
72.99293	2.3
73.02948	1.4
75.84097	0.6
83.01405	1.6
83.60904	0.7
85.02959	44.6
85.06594	20.5
87.00865	1.4
89.02454	24.0
95.01389	2.0
101.02454	16.9
109.84094	0.8
113.02476	8.0
113.06092	3.6
115.07651	2.8
117.03475	3.7
119.03526	8.2
125.02464	2.0
127.07671	2.1
131.07155	74.7
132.07510	2.4
143.03639	0.8
144.94768	0.7
145.02969	7.9
147.01842	1.1
147.03006	19.9
169.01465	1.9
173.08212	2.4
175.04001	1.1
179.05603	1.5
203.03403	1.7
229.01361	0.7
247.02458	1.0
249.03110	1.6
293.03375	1.6
293.12460	100.0
294.12869	5.9
307.57996	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	293.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	4.2
68.99825	1.1
70.15194	3.2
71.01383	1.2
86.79030	1.0
88.74928	1.1
92.92816	1.5
96.96013	9.6
115.84100	1.1
119.94720	1.6
145.10588	100.0
146.10901	2.6
148.05316	1.4
149.06097	17.0
180.04251	3.9
193.16013	1.3
220.14648	2.8
221.15503	6.4
227.90611	1.4
236.10539	5.2
261.18521	1.7
293.15509	36.3
294.16043	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	293.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44353	0.2
59.01374	0.4
61.98812	0.8
70.12489	0.5
71.01390	8.2
73.45850	0.2
91.71118	0.2
121.02956	0.4
127.07666	1.4
148.05338	1.2
151.07654	0.8
152.97838	0.2
164.08435	1.7
177.09229	6.4
178.09552	0.4
190.09999	0.5
191.10826	0.3
192.11584	7.4
193.12173	0.5
194.92934	0.3
205.12357	7.7
206.12680	0.5
207.13892	2.4
208.82625	0.2
217.08760	0.7
218.09457	1.9
220.14708	52.5
221.15475	100.0
222.15817	6.0
235.13399	2.1
236.10562	67.9
237.10924	4.7
253.14647	0.3
293.17615	6.9
294.18008	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	293.1763
Annotation	Embelin
Peak:m/z	Relative Intensity
57.35076	0.3
59.01377	1.1
61.94069	0.3
71.27792	0.7
87.00885	0.6
95.01402	1.8
96.02188	1.6
96.96016	4.7
111.00912	2.0
123.00908	5.7
124.01679	12.5
128.01158	0.7
139.00368	0.5
151.00348	1.3
152.01152	8.1
153.01811	0.4
165.01921	1.3
166.02705	2.7
175.09718	0.3
177.59613	0.4
184.00175	3.3
188.42964	0.3
195.17584	0.8
220.14613	0.5
221.15434	1.2
236.10461	0.7
264.53485	0.4
265.18155	8.6
266.18457	0.6
275.16629	0.5
293.17627	100.0
294.17944	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	293.2126
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
66.39757	4.6
71.01376	10.6
71.24705	4.3
71.25186	6.1
78.57342	4.8
136.08932	11.6
149.27214	5.0
151.42863	4.5
192.11610	14.3
193.15997	12.0
220.14703	19.1
221.15474	35.3
236.10649	36.6
249.18816	5.8
261.14941	6.6
263.20123	18.5
275.20245	44.3
293.17624	18.0
293.21216	100.0
294.21646	5.8
298.35675	5.0
312.05594	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	293.2128
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
59.01399	0.5
64.44738	0.5
81.03468	0.5
149.09662	0.5
192.11649	0.6
193.15947	1.2
195.13959	0.9
197.47960	0.5
199.32442	0.5
200.53836	0.6
202.12119	0.5
220.14745	1.2
221.15424	1.6
223.13528	0.9
225.15121	0.9
236.10571	1.4
249.22337	1.0
251.83649	0.5
262.47461	0.5
275.20157	1.6
293.21268	100.0
294.21606	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64755	0.7
60.56599	0.8
73.17458	0.8
137.15904	0.8
195.13919	13.7
196.14717	1.6
223.13443	10.4
228.13664	1.9
256.13226	6.2
275.20160	8.0
293.21259	100.0
294.21481	3.9
304.77731	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04548	4.2
53.06644	5.0
61.98839	25.4
69.25369	4.1
69.52343	3.6
71.01359	5.4
71.05012	4.2
71.25706	6.2
76.94138	4.0
78.95903	5.8
88.71912	4.1
92.92812	5.3
96.96029	5.8
119.94707	5.1
121.02982	5.9
126.67935	4.1
153.16838	4.9
178.58929	4.5
193.16101	6.6
217.54616	4.1
218.86737	5.0
220.14697	7.6
221.15509	19.8
236.10655	12.0
247.10887	4.0
283.69925	5.4
293.08969	67.7
293.17865	13.1
293.21219	100.0
293.24149	3.6
294.21667	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15343	0.6
57.03445	5.6
59.01399	2.9
59.01626	0.6
65.64748	0.5
70.97487	1.2
79.62781	0.5
91.64722	0.5
113.09743	19.2
135.11821	0.5
139.11295	2.0
149.09744	0.8
167.10803	2.4
177.12859	1.2
179.10796	1.5
195.13939	2.6
196.76791	0.6
232.11107	0.5
249.22195	1.7
275.20230	1.7
293.21255	100.0
294.21643	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	293.2126
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.35535	1.4
59.01372	2.8
71.01398	1.7
71.25266	2.0
76.77523	1.5
77.12251	1.7
81.26387	1.6
87.82024	1.4
89.53065	1.4
106.55862	1.6
125.09744	5.5
125.80774	1.7
132.31064	1.6
135.14661	1.5
136.08917	1.9
149.09720	1.7
154.32211	1.7
154.71336	1.7
185.11835	6.8
192.11649	2.1
193.15996	3.2
205.12335	1.7
220.14662	6.6
221.15479	15.4
236.10587	11.0
249.18567	2.7
265.25159	1.7
266.64157	1.7
275.20062	1.9
293.18234	3.3
293.21255	100.0
294.21619	8.0
298.21399	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
70.46828	3.9
80.14850	1.1
121.10246	47.4
122.10598	2.6
127.11336	1.3
171.10287	85.8
172.10629	3.8
177.16528	1.4
183.10243	1.4
183.13937	2.2
185.11879	3.3
194.52194	1.3
197.11763	1.4
231.21225	5.7
275.20172	100.0
276.20621	6.3
293.21262	71.9
294.21616	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71481	0.5
53.86581	0.6
57.03209	0.7
57.03450	5.7
59.01382	4.0
61.98829	1.6
67.72570	0.6
70.70650	0.9
70.70990	1.3
71.01373	0.8
82.54581	0.7
97.06613	1.4
99.92607	0.6
109.06573	1.1
113.09736	23.4
121.02925	0.7
139.11290	2.1
167.10767	2.9
171.25336	0.6
177.09225	0.9
177.12810	0.7
179.10771	2.9
195.13893	3.0
205.12325	0.7
220.14700	5.2
221.15466	9.4
235.61374	0.6
236.10536	5.5
249.22237	2.9
275.20013	1.0
293.21240	100.0
294.21591	8.0
303.37512	0.6
304.24527	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	294.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62816	0.4
69.08410	3.2
69.08803	0.7
71.01398	4.4
72.00908	0.7
72.02085	0.5
83.40939	0.3
88.04050	25.3
109.02978	1.7
114.01989	3.0
115.00385	9.4
115.01170	0.6
119.58996	0.4
125.64943	0.4
132.03041	100.0
133.03114	1.6
134.03772	0.8
135.04543	17.9
136.04877	0.6
147.04514	0.4
158.00972	1.2
161.02452	5.4
163.04002	0.6
178.05141	0.9
179.03516	5.1
206.08289	1.0
210.35045	0.4
230.35707	0.4
232.06158	0.5
250.07281	1.1
294.06259	5.1
294.24503	0.5
310.06860	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	294.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.1
57.03445	4.8
58.31049	1.3
59.01383	16.6
67.04492	1.2
68.99808	1.2
69.51803	6.7
71.01389	100.0
72.99301	1.8
73.02954	32.0
75.00858	1.4
83.01393	11.8
85.02959	41.8
86.03341	1.3
87.00896	3.6
89.02457	5.7
91.85478	1.0
95.01408	7.8
97.02957	2.3
99.00877	12.6
101.02452	47.2
102.02813	1.3
102.05627	2.9
104.85233	1.2
113.02460	41.0
119.05038	1.8
125.02448	3.3
129.01985	1.9
131.03735	5.6
143.03523	4.5
159.03011	10.0
161.04573	82.3
162.04907	1.4
175.04007	1.4
175.16306	1.1
189.12862	2.1
205.03525	2.2
297.79672	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	295.0461
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
59.01382	6.5
71.29777	0.9
71.30125	1.6
72.99319	1.1
87.00893	8.4
88.04064	1.5
93.03466	1.5
94.20541	0.7
103.00397	2.3
108.52708	0.9
112.98818	6.2
119.05041	55.9
120.05389	0.9
132.03065	4.5
133.03378	1.7
149.00922	7.4
163.04025	100.0
164.04407	3.0
177.44994	0.8
284.53717	0.9
295.04736	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	295.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43593	1.9
57.03446	2.3
59.01369	7.0
69.40752	10.9
72.99306	7.3
87.00874	18.2
103.00390	4.4
112.98824	4.1
119.05041	77.7
125.02460	15.6
130.99879	2.4
135.04539	3.1
137.29625	1.9
149.00937	70.0
154.23399	2.5
163.04028	100.0
164.04384	3.8
169.01477	12.4
169.02736	2.2
198.94611	2.1
211.19801	2.3
239.56590	2.5
295.04614	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	295.0462
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
51.01555	1.1
55.34518	1.2
59.01376	2.1
69.47131	2.6
69.47530	6.1
71.01385	16.8
72.31797	1.2
72.99297	3.3
79.35517	1.2
87.00859	1.5
89.02464	1.3
98.22493	2.3
108.76906	1.2
115.00388	41.0
115.53658	1.0
118.86162	1.1
119.05022	3.2
125.02456	6.1
132.04092	1.5
133.01443	100.0
134.01810	2.8
134.03784	1.3
135.04553	14.4
152.51625	1.1
157.96841	1.1
163.04036	3.7
169.01450	6.6
179.03500	9.8
275.10638	1.2
295.04843	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	295.0461
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
57.50633	0.6
59.01386	9.0
60.00156	0.6
60.63705	0.7
62.07582	0.6
64.55977	0.7
69.05664	6.7
71.01386	8.2
72.99301	2.8
74.02460	0.7
74.99368	0.7
78.95892	0.7
85.02958	1.0
87.00884	10.4
88.98801	2.3
89.02431	4.1
90.98655	1.0
98.57458	0.6
101.02441	1.7
103.00388	2.6
112.98809	5.4
113.02455	0.9
115.00386	8.3
119.05040	60.7
120.05379	1.9
125.02475	1.8
126.94373	1.5
128.96829	3.1
133.01466	1.0
135.04517	1.9
149.00932	16.5
150.01228	1.0
163.04024	100.0
164.04359	4.3
169.01421	1.3
179.05516	0.7
207.03058	1.0
207.06914	0.9
238.90880	1.4
295.04343	0.9
295.10425	3.5
296.07489	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	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	5.2
59.01384	78.7
71.01386	57.8
71.25388	3.3
71.98318	2.3
72.86413	2.9
72.99305	4.7
73.55389	2.4
76.91785	2.4
85.02980	12.4
87.00887	7.1
88.98827	3.5
89.02454	64.8
90.02764	2.2
95.01379	7.6
96.96015	4.1
101.02464	32.9
110.98508	2.4
113.02467	27.2
113.03608	2.9
119.03520	33.8
119.05032	18.0
123.00879	9.0
125.02462	4.3
149.00879	4.4
157.03993	2.5
157.07784	3.2
161.04611	2.9
163.03989	18.3
164.07280	2.6
166.99818	3.7
169.01422	5.7
179.05669	4.7
180.06654	6.8
204.95377	7.0
233.09244	2.3
277.08456	3.0
295.10376	100.0
296.10791	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	295.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.8
60.32087	0.5
61.13288	0.5
63.37668	0.6
65.00341	0.7
67.40397	0.5
69.06539	4.8
83.81884	0.6
93.03482	1.2
95.60632	0.5
96.96002	0.5
98.22551	0.9
99.92598	4.9
107.01405	1.2
121.02948	0.5
126.01549	0.5
143.05029	4.2
149.02443	0.9
151.00371	1.6
177.12759	0.6
183.13907	20.1
184.14233	1.0
195.13902	13.8
196.14328	0.8
201.01955	1.0
213.14977	100.0
214.15298	5.0
223.13193	1.6
235.13107	2.3
251.06963	0.6
251.11475	0.6
265.12946	0.7
267.12152	1.9
278.06357	0.7
279.12115	1.4
281.10370	0.9
295.06119	16.4
295.15234	5.9
296.06717	2.8
296.12891	0.7
301.93869	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	295.1918
Annotation	10-Deoxymethynolide
Peak:m/z	Relative Intensity
57.27222	0.2
59.01377	0.4
69.03454	0.4
71.05026	0.5
81.03020	0.4
81.03474	5.9
81.03954	0.3
81.67014	0.2
83.05033	2.3
84.02205	0.2
91.01926	0.3
97.02981	1.1
97.06601	0.8
98.21763	0.4
99.04540	0.7
99.08128	0.3
101.29848	0.2
108.02225	0.2
109.02979	1.2
110.03751	4.9
111.00823	0.3
111.04543	3.0
112.05319	0.4
113.02478	0.7
113.91135	0.2
123.04566	0.5
125.02481	1.1
126.03224	1.4
142.02725	0.8
154.02711	0.4
158.02238	2.4
159.20677	0.2
165.85162	0.3
167.14493	0.7
168.04277	0.5
169.16049	0.7
171.10316	1.5
183.10252	0.3
193.15955	0.5
195.17525	1.4
196.17801	0.3
205.87805	0.3
207.17577	0.4
221.15320	0.4
221.19049	0.3
223.17105	2.4
223.20642	2.9
224.21117	0.4
233.19099	1.2
249.18571	0.3
251.20227	0.9
277.18481	0.4
277.21793	2.0
279.00601	0.3
295.19196	100.0
296.19537	6.7
296.23108	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
61.98847	1.2
70.06084	2.5
77.33730	0.8
98.22475	1.1
107.52551	0.7
146.06306	0.8
146.59984	0.7
160.31758	0.8
169.64713	0.7
195.13947	1.0
197.15398	3.0
207.13861	1.0
225.14977	41.7
226.15334	2.2
277.21713	3.1
295.22800	100.0
296.23062	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	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03453	2.3
66.48264	0.2
71.07386	0.6
74.19293	0.2
94.07430	0.3
97.06608	0.4
101.76616	0.2
107.37847	0.2
113.09743	5.8
143.79205	0.3
179.14453	2.2
181.12363	1.1
186.91083	0.3
189.82008	0.3
195.14047	0.3
203.73169	0.3
251.23839	0.8
277.21753	0.5
295.22787	100.0
296.23120	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01380	0.5
61.98835	0.6
68.56376	0.4
70.75085	0.7
86.95254	0.4
133.26828	0.4
160.79443	0.5
181.61467	0.5
190.03845	0.4
233.22513	0.4
250.47815	0.5
265.21747	1.9
277.21774	3.5
295.22806	100.0
296.23154	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.28380	0.6
57.03446	0.8
59.01369	1.7
70.63042	0.8
77.68504	0.5
90.67144	0.6
125.09700	1.6
127.11355	0.9
141.12862	0.7
171.10281	41.9
172.10646	2.5
182.12164	0.5
183.10313	2.9
195.13893	1.0
199.21014	0.6
259.20746	0.8
277.21747	51.6
278.22095	4.3
295.22803	100.0
296.23099	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03444	1.2
57.03732	1.1
59.01363	2.5
69.12361	5.1
69.12784	4.8
74.44084	1.1
75.82093	1.2
98.22587	1.8
125.09702	1.6
141.12805	1.2
150.59404	1.1
155.14418	1.9
171.10277	45.1
182.82172	1.3
183.10266	2.6
203.08308	1.3
211.58542	1.4
273.31958	1.1
277.21725	57.6
278.22064	3.5
293.21338	1.5
295.22797	100.0
296.23154	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	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.78959	0.2
57.03445	0.8
59.01379	1.8
61.38826	0.2
62.14695	0.2
62.31528	0.2
71.04235	0.4
83.05054	0.5
92.58771	0.3
97.06593	0.2
99.08107	0.3
113.09750	2.3
114.00793	0.2
177.12898	0.6
179.14375	1.2
181.12332	0.7
195.13921	19.6
196.14217	0.7
251.23904	0.4
259.20795	0.4
277.21750	17.3
278.22256	1.6
287.32071	0.3
295.22797	100.0
296.23129	8.2
296.26526	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
54.86930	2.1
62.29712	2.1
69.05635	24.7
69.32486	2.3
98.21728	4.7
118.84563	2.2
120.92478	2.5
135.00826	2.6
163.04051	2.3
295.22803	100.0
296.23157	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	296.093
Annotation	Norcularicine
Peak:m/z	Relative Intensity
53.40935	0.7
57.99788	0.6
69.03461	1.0
71.26833	1.2
73.10058	0.7
91.61124	0.7
93.03496	0.7
96.96047	0.8
109.02905	0.7
111.44113	0.7
123.00910	0.9
125.02493	5.4
126.02814	1.1
133.02933	0.7
135.04543	0.7
145.78242	0.7
148.01685	31.6
149.02394	2.8
157.14714	0.7
160.04063	2.7
161.02464	4.2
164.01068	0.8
169.01421	2.2
170.01816	0.8
175.02771	89.6
176.01149	0.8
176.03468	9.2
188.03488	0.7
190.05199	0.7
204.03044	5.8
208.99184	1.1
221.03351	0.9
296.09305	100.0
297.06635	1.1
297.09674	8.4
297.13104	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	296.0932
Annotation	Norcularicine
Peak:m/z	Relative Intensity
50.82311	0.8
61.58292	0.8
63.87503	0.7
65.99863	0.7
69.12981	0.7
69.49818	4.7
72.26825	0.7
73.69057	0.7
77.04008	0.7
79.44955	0.7
91.05550	7.1
93.03471	3.9
95.05021	1.4
98.22536	0.9
105.03490	6.1
105.79437	0.9
106.04214	1.0
107.04324	1.2
107.05035	21.6
108.02217	0.8
109.02967	5.2
117.03455	3.8
119.05057	6.5
120.04567	4.4
120.05278	0.7
121.02991	2.3
123.04562	1.8
129.03461	0.9
131.03751	1.5
132.02206	2.3
132.04552	2.5
133.02974	46.7
133.05310	5.5
134.03772	1.5
134.06149	4.9
135.04539	100.0
136.04887	3.6
145.02925	1.7
146.03763	2.3
146.06151	1.3
147.03288	2.0
147.04515	17.5
148.04097	3.9
148.05312	46.8
151.04187	0.8
158.02487	0.8
159.03349	1.0
159.04468	3.7
160.04059	11.7
161.02460	21.2
161.06065	1.6
162.05611	3.8
174.05600	2.0
175.02759	11.9
175.04161	1.1
176.03545	83.4
177.04118	4.6
178.05110	30.4
178.06697	1.1
186.05634	1.0
189.04355	2.6
190.05107	19.1
202.05133	1.8
225.05717	1.1
226.06354	0.9
253.08830	4.0
266.08282	1.0
294.07733	3.8
296.09302	89.8
297.09964	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	296.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
62.04257	1.9
62.04992	1.8
70.97557	2.0
95.98238	2.0
98.22585	3.0
99.92609	7.2
121.02969	6.5
133.02998	6.7
134.03821	9.6
135.04510	4.1
145.26379	1.9
147.04541	6.9
153.45946	2.3
159.04521	3.2
161.02472	4.9
162.05655	4.0
175.02814	4.3
176.03542	21.4
177.04251	3.4
190.05127	23.7
198.96446	1.9
214.15353	4.5
214.35532	2.4
242.42601	1.9
242.45132	2.1
267.06592	12.3
280.07135	3.2
280.09821	25.5
281.08090	7.9
281.10641	100.0
282.08881	8.0
282.11331	4.5
296.10318	5.6
296.13007	72.5
297.11008	5.8
297.13873	2.8
297.16794	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	297.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99442	1.7
70.52298	1.7
70.79693	2.1
70.80034	3.6
71.73177	1.6
74.99068	5.8
76.20337	2.0
89.04279	11.7
93.00171	2.7
129.87355	1.9
138.91545	1.8
149.00958	53.7
149.02087	4.0
150.00917	2.0
177.75922	2.2
183.01247	6.4
223.02861	7.5
254.88492	2.5
264.98465	26.4
281.01489	5.9
282.99530	2.2
292.08203	2.1
295.92029	2.0
296.23053	2.9
297.04724	100.0
297.15347	10.2
297.24365	16.6
298.04733	10.6
299.02753	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	297.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16063	0.9
74.99069	3.3
76.99325	0.7
89.04292	5.7
93.00157	2.1
98.22624	1.9
121.06615	10.2
149.00972	39.4
163.11304	9.1
183.01176	1.5
196.03500	0.8
206.99669	1.5
208.97643	1.5
223.02902	4.2
225.00691	1.1
264.98468	16.1
265.98380	1.9
281.01614	5.0
282.01431	1.1
282.99454	2.4
296.62482	0.9
297.04736	100.0
297.15317	2.0
297.18625	8.2
297.24200	6.9
298.04761	10.8
299.02673	7.9
300.02496	1.1
301.00555	1.4
315.05826	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	297.1348
Annotation	Tehranolide
Peak:m/z	Relative Intensity
59.01368	1.0
61.65785	0.7
65.00321	0.8
67.01897	1.6
68.98549	0.8
68.99800	0.9
71.01385	1.0
71.27416	1.2
72.95651	0.9
83.01395	1.0
91.17897	0.7
100.59055	0.8
107.01408	1.8
111.00890	6.7
113.09733	1.1
114.47012	0.7
123.00909	5.3
124.01694	2.5
125.02461	9.6
127.00370	2.6
136.98822	5.2
139.00410	6.7
140.01180	10.9
151.00395	2.3
154.99884	1.2
155.10809	0.8
168.00661	10.1
169.01443	11.4
227.60303	0.7
279.16055	1.4
297.13474	100.0
298.13861	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	297.1459
Annotation	olomoucine
Peak:m/z	Relative Intensity
50.03521	0.4
55.27900	0.4
55.52690	0.4
57.03446	1.0
59.01395	2.4
62.01803	0.4
62.77037	0.3
66.03489	0.8
69.03450	0.6
69.86065	0.4
81.02206	1.6
81.03496	0.4
82.02991	6.3
83.05000	0.6
84.00913	1.0
84.04543	0.6
94.02991	0.6
96.04571	4.9
98.02500	3.1
98.21784	1.3
98.22498	1.2
108.04586	0.6
110.02467	1.1
112.04057	0.7
113.06088	0.4
122.02493	0.6
122.06151	5.1
124.04077	0.8
124.07674	0.4
125.02422	1.0
125.06059	0.6
126.01984	0.6
126.05650	2.0
130.08739	2.9
135.04544	1.8
137.06061	0.5
138.05634	2.4
139.00447	0.4
139.05153	0.7
140.07195	19.1
141.07516	0.7
150.05670	0.6
153.02040	0.4
156.06676	1.1
166.05151	0.5
167.11870	0.6
168.06705	6.5
169.01492	0.7
181.13429	0.8
181.75856	0.4
181.95415	0.4
183.07835	0.5
195.11356	0.4
207.11411	0.4
209.12985	6.0
210.13202	0.5
227.50496	0.4
235.14758	0.5
253.15608	2.3
264.70822	0.4
297.14584	100.0
298.10980	1.2
298.14914	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	297.2075
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
55.38335	1.5
57.03442	2.6
59.01381	3.6
63.21136	1.4
71.01381	8.0
72.02175	22.7
73.02970	1.6
98.03735	4.8
112.98281	1.5
123.17750	1.5
155.10771	7.8
173.35500	1.6
183.01215	5.6
209.19046	5.0
225.18631	4.2
228.79320	1.7
235.20676	20.6
253.21768	100.0
254.22150	7.4
279.23410	8.6
297.15491	9.1
297.20792	14.9
297.24362	73.9
298.21237	2.1
298.24527	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
61.98808	0.5
70.52795	0.8
149.75694	0.3
183.01219	4.5
184.01994	0.8
208.76248	0.3
209.52110	0.3
216.00995	0.5
251.23723	1.4
279.23227	1.2
281.32907	0.3
295.22714	1.0
297.15366	8.6
297.24356	100.0
298.15640	0.8
298.24686	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	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32601	1.0
59.62515	0.9
69.04773	0.9
69.13818	0.9
69.14128	8.6
98.21812	1.9
115.73473	0.9
127.11307	2.3
137.23352	1.0
166.03468	0.9
171.10271	10.0
171.92436	0.9
183.01178	5.3
268.58777	1.0
279.23315	12.1
280.23685	1.0
297.15359	10.6
297.24374	100.0
298.24728	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	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.52795	0.4
59.01390	0.8
79.61250	0.4
86.25037	0.4
87.43212	0.4
94.77338	0.4
95.16383	0.4
139.11296	0.4
141.12866	1.3
155.10789	14.8
156.11078	0.7
156.42400	0.4
171.10310	0.6
183.01167	1.3
251.23972	0.5
261.22125	0.6
279.23306	14.8
280.23682	1.7
295.22858	1.2
296.34445	0.4
297.15494	2.5
297.24365	100.0
298.24698	8.4
315.24216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2439
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01379	0.6
61.98822	1.2
66.51870	0.5
70.89249	1.3
100.02994	0.5
113.09715	0.8
119.94644	0.7
127.11323	0.9
157.08734	7.7
169.12363	3.3
183.01253	3.8
261.22260	0.7
279.23343	15.2
280.23648	1.2
295.22711	1.2
297.15335	6.6
297.24368	100.0
298.24698	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	298.036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	0.7
65.80968	0.5
66.03475	0.8
70.67837	1.0
75.53430	0.4
94.02975	0.5
95.01391	6.3
107.01388	0.8
109.02972	0.5
121.01664	0.5
123.00896	5.5
129.47733	0.5
131.03751	0.8
133.02936	1.6
142.06641	4.3
143.05006	1.3
144.04553	2.3
146.02481	3.3
149.01199	4.6
150.01968	1.5
153.05780	1.2
154.06638	8.3
155.03690	1.0
156.04573	12.5
158.02478	0.5
158.06107	1.1
166.06631	9.5
167.07051	0.6
168.04546	3.8
169.02853	0.6
170.06129	53.4
171.04515	1.1
171.06470	2.4
174.25084	0.5
175.03903	1.0
181.05342	3.7
182.06113	14.8
183.06453	1.1
184.04053	4.2
197.02861	0.6
197.04814	12.1
198.05623	25.0
199.03996	2.1
199.05962	1.5
205.19031	0.5
209.04892	1.2
210.05638	3.5
211.04066	0.5
212.03569	0.9
215.03413	1.1
225.04337	2.0
226.03004	0.5
226.05098	15.6
227.03412	1.2
227.05447	1.1
236.03554	1.8
243.03059	1.1
253.03798	0.5
254.04608	100.0
255.05043	6.5
270.99426	0.9
271.02512	11.9
298.03607	44.1
298.98499	1.1
299.01889	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08979	5.1
70.51148	0.5
91.05552	1.7
93.03450	0.7
98.21784	1.2
101.59310	0.6
106.04264	1.3
107.05045	4.6
114.03205	0.5
121.03013	0.6
131.28024	0.5
133.03023	1.5
134.03809	3.1
134.06155	1.0
135.04541	71.8
136.04004	1.8
136.04884	2.5
136.07706	5.4
147.04553	1.9
148.04163	1.1
148.05321	10.1
149.05698	0.6
149.84090	0.5
160.04019	1.1
161.02454	5.2
178.05113	11.5
190.05054	3.0
199.04062	0.7
217.82028	0.6
229.53532	0.7
241.52307	0.6
256.09854	1.4
271.02466	1.6
298.10873	100.0
299.01944	1.6
299.11240	7.6
319.35480	0.6
319.39648	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	298.1088
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
61.91383	0.2
66.80698	0.2
83.51871	0.2
83.59232	0.2
83.67303	0.2
91.05563	1.3
93.03477	0.7
106.04246	0.9
107.05043	4.6
109.02962	0.4
117.03455	0.7
119.05035	0.6
121.02975	0.6
123.04500	0.3
133.02966	2.1
134.03773	2.8
134.06139	1.3
135.04541	84.2
136.04027	1.8
136.04895	2.1
136.07687	6.6
137.02425	0.4
145.02956	0.3
147.04547	2.0
148.04126	0.9
148.05313	11.5
149.04716	0.5
149.05785	0.4
150.05632	0.3
160.04042	1.5
161.02457	6.5
162.03009	0.4
176.03564	0.3
177.04164	0.3
178.05116	13.1
179.05531	0.5
190.05110	4.7
191.05431	0.2
256.09781	1.6
294.31461	0.2
298.10870	100.0
299.01959	0.4
299.11197	7.7
315.83197	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	299.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38560	0.6
59.01384	100.0
60.01715	1.0
69.00594	1.9
69.01004	3.9
72.56788	0.5
72.87617	0.5
103.76482	0.6
137.77200	0.6
157.03572	6.7
159.01476	1.7
201.02567	88.5
202.02702	6.2
276.33524	0.5
276.87579	0.6
281.10358	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	299.02
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
57.53649	0.1
61.93633	0.1
65.00314	0.3
67.21099	0.2
69.68890	0.6
88.40889	0.2
103.05496	0.2
115.05542	0.7
127.05595	0.2
143.05038	1.5
155.05040	0.7
157.59618	0.2
159.04532	0.4
161.06068	0.8
169.03015	0.3
171.04532	3.2
177.05559	0.3
181.02989	0.7
183.04524	0.8
183.39160	0.1
184.01682	0.9
187.04050	1.3
197.02440	0.5
198.03242	0.9
199.04013	5.0
200.01167	0.6
200.04201	0.2
210.03169	0.3
212.01295	0.7
214.02742	0.4
215.03500	1.8
225.01944	1.7
226.02737	1.8
227.03506	5.5
228.00693	0.4
228.03880	0.4
242.02193	0.5
242.99265	0.3
243.02995	3.3
244.03476	0.2
253.01447	0.6
254.02144	0.5
255.02957	0.6
270.01645	0.2
270.99042	0.3
271.02451	0.8
281.00888	0.4
282.01712	1.4
283.99606	1.6
297.00366	0.3
298.01193	2.5
299.01981	100.0
300.02316	6.9
314.44315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.5
71.01027	2.7
71.01386	24.5
72.99306	1.6
75.00879	22.0
75.83784	1.4
81.03459	3.4
83.01407	2.2
85.02969	3.5
87.00894	10.4
89.02440	12.7
92.08474	1.5
93.03461	17.8
94.17058	1.4
95.01357	3.9
95.05033	1.5
97.02889	1.6
99.00904	2.2
101.02451	4.6
107.01437	1.8
107.05029	3.6
108.02178	2.1
109.02962	34.2
111.04520	3.1
113.02476	5.3
117.01889	2.2
119.03503	3.7
119.05027	2.5
121.02955	6.9
122.03741	9.1
123.00913	13.7
123.04550	11.0
124.01669	6.4
125.02462	32.0
133.01418	3.7
135.04579	4.2
136.01665	2.7
137.02452	79.8
137.45918	1.7
138.03169	4.5
139.04024	36.3
140.04333	1.6
143.01393	1.7
147.00957	1.9
147.04576	4.7
149.02423	6.2
151.04027	25.5
153.01913	1.7
155.03468	1.7
159.00963	2.3
161.02475	3.5
163.03983	3.0
164.01207	11.5
165.01947	100.0
165.05571	2.6
166.02400	2.6
167.03494	24.7
169.01385	2.3
171.00876	2.1
172.05667	1.7
175.03990	4.3
177.01939	18.5
178.02730	4.0
179.03502	31.5
183.02979	3.6
187.00383	6.0
189.01935	7.7
191.03445	4.7
193.01384	3.4
193.05174	3.2
195.03006	51.5
197.04564	64.8
198.04985	3.4
207.03040	18.6
207.04843	2.5
209.00906	19.4
209.04536	7.2
214.99832	6.7
216.00555	1.6
219.03027	20.2
220.03499	1.6
220.73605	1.4
223.02563	3.3
225.04161	8.2
225.05972	1.6
227.03462	1.7
237.04044	24.9
239.02061	2.7
239.05627	3.9
241.03529	3.7
242.99324	8.4
255.05173	9.3
270.96545	1.2
270.98880	32.5
281.03067	5.3
298.98651	23.8
299.01648	7.0
299.04123	15.9
299.07758	18.4
299.99057	6.7
300.02130	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	299.041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65832	1.7
59.01386	8.4
71.01380	13.0
71.26275	2.9
74.99090	4.5
75.00879	21.6
79.95762	1.6
81.03452	4.6
87.00876	12.4
88.04050	2.6
89.02451	2.7
92.02759	1.9
93.03475	10.5
94.43727	1.8
95.01379	2.8
95.05029	4.2
96.96010	3.5
107.05029	2.7
109.02969	36.6
113.02487	1.8
117.01942	2.8
121.02966	7.2
122.03749	5.6
123.00906	13.4
123.04567	8.6
124.01649	5.5
125.02464	33.7
135.04503	3.2
136.01698	2.5
137.02463	66.1
138.03233	3.0
139.04027	31.7
147.04532	2.8
149.02437	4.4
151.04012	21.0
161.02451	6.6
163.03996	2.8
164.01169	9.4
165.01952	100.0
166.02335	3.3
167.03502	24.3
169.01457	3.9
171.00879	2.1
175.04051	5.8
177.01930	11.9
177.05516	2.0
178.02681	5.9
179.03497	19.8
183.02994	4.0
187.00360	4.2
189.01990	5.5
191.03551	7.6
193.01442	3.6
195.02977	30.5
197.04572	66.8
199.00435	2.7
206.02112	1.9
207.03033	19.7
209.00952	20.6
209.04535	5.2
214.99892	4.4
219.02979	24.5
223.02507	6.9
225.04077	5.9
237.04111	18.4
241.03584	5.4
242.99307	7.8
255.05031	9.1
255.27330	1.8
266.51474	2.2
270.98859	19.6
281.02991	5.7
298.98471	16.6
299.04068	11.5
299.07404	5.0
299.99103	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
69.33320	0.6
69.41818	4.1
71.01383	13.6
72.99302	2.0
73.02950	1.0
75.00886	3.1
85.02958	2.4
85.33842	0.5
89.02452	2.8
92.56247	0.5
93.03467	65.1
94.03814	1.0
94.85816	0.5
98.21741	0.7
101.02464	2.0
107.01409	8.1
108.02197	0.6
113.02474	1.6
115.00388	18.3
119.05022	1.3
123.00844	1.5
124.01694	4.4
124.48231	0.6
125.02439	4.1
130.08701	0.6
133.01445	39.0
134.01797	0.8
136.01663	0.6
137.02458	100.0
138.02815	2.8
138.05634	1.3
139.00415	0.9
139.04018	5.6
140.01155	0.7
147.03001	9.6
159.00945	1.0
163.00349	0.9
165.02032	0.6
167.03474	1.0
168.00667	4.9
169.01443	3.4
171.00873	1.5
171.04434	0.7
179.03532	1.1
183.02989	20.4
187.00365	2.7
199.00372	1.1
199.03947	0.9
214.99905	1.8
226.02785	1.0
226.99945	0.9
227.03520	2.6
242.99336	4.4
243.02968	1.1
244.40266	0.7
255.02919	0.9
270.98853	11.6
271.01950	0.8
271.99203	0.9
298.01666	0.6
298.98367	10.1
299.02014	11.9
299.04782	1.6
299.99249	4.0
300.02237	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	299.0565
Annotation	Diosmetin
Peak:m/z	Relative Intensity
59.01373	1.5
63.02410	2.0
65.00337	0.7
69.00132	0.5
69.00535	3.7
72.85204	0.7
77.25126	0.4
83.01411	1.5
98.13121	0.4
103.37987	0.4
107.01409	3.0
108.13219	0.4
109.02979	0.4
115.92159	0.4
133.02957	6.3
134.03731	1.1
139.11311	0.8
143.05042	0.6
146.03812	0.5
148.01689	1.6
148.50755	0.4
149.99608	0.6
151.00409	3.9
163.00337	0.4
165.01904	0.6
171.04504	0.7
173.02708	0.5
174.99205	0.5
175.03963	0.6
183.04538	0.8
187.04128	1.0
199.04054	2.0
200.04729	0.8
201.01886	0.7
211.04036	1.6
212.04823	0.8
215.03462	1.2
217.00363	1.9
226.02737	0.5
227.03534	3.1
239.03529	0.5
243.03012	1.4
255.03027	1.8
256.03775	5.0
270.99298	0.6
271.02484	10.1
272.02658	0.5
283.02463	1.2
284.03271	100.0
285.03625	6.6
299.02023	17.4
299.05551	97.7
299.18735	1.8
299.99094	0.9
300.02353	1.2
300.05936	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	299.0566
Annotation	Koparin
Peak:m/z	Relative Intensity
58.08888	0.5
59.01385	2.3
59.22379	0.5
63.02386	0.6
65.00345	3.3
68.99833	0.7
70.30562	0.5
92.73513	0.5
95.01427	0.8
100.49540	0.6
110.00104	11.4
120.99405	0.6
123.00922	1.0
132.22960	0.5
135.00871	1.1
136.98807	2.7
137.99582	2.0
141.03476	6.7
141.99069	1.1
143.05052	0.9
151.00432	1.0
158.03760	3.8
171.04485	0.6
174.99274	0.8
178.99904	1.3
183.04489	1.1
184.05273	2.5
186.03268	3.0
187.04108	0.9
190.02744	2.6
199.03990	0.9
200.04842	6.3
211.04048	6.5
213.01947	4.3
217.00275	2.1
227.03506	5.6
228.04247	1.8
239.03526	8.0
240.04298	3.0
242.99332	0.8
255.03014	5.3
256.03555	0.7
263.16483	0.8
270.98740	1.3
284.03281	100.0
285.03641	7.3
298.98450	1.6
299.05627	41.4
299.18643	1.9
299.99069	2.3
300.06009	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	299.0565
Annotation	Ptaeroxylol
Peak:m/z	Relative Intensity
58.62507	0.2
59.01398	0.5
61.27844	0.2
62.71634	0.2
65.00343	0.5
67.23886	0.3
70.84811	0.3
103.38776	0.2
107.01405	1.3
108.02207	0.2
121.55710	0.2
121.65659	0.3
132.02185	1.5
132.87799	0.3
135.00882	1.8
143.94490	0.3
149.54930	0.3
151.00392	0.9
163.00414	0.7
164.01180	0.9
178.50583	0.3
183.04518	1.3
185.02458	0.9
185.99127	0.3
187.04044	0.5
199.04034	0.8
200.04886	0.4
211.04007	2.1
212.04805	0.3
217.00320	0.4
219.26941	0.2
227.03516	53.1
227.84096	0.3
228.03877	3.3
239.03539	0.9
243.03000	0.6
255.03003	80.2
256.03531	8.6
271.02499	3.1
283.02527	0.8
284.03281	100.0
285.03632	6.6
299.05603	47.8
300.02682	2.0
300.05978	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	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
58.00580	3.0
59.01382	98.6
69.38063	9.8
71.01387	43.5
72.97933	1.4
72.99322	3.3
83.01389	2.5
85.02956	10.8
87.00891	2.3
88.20309	1.5
89.02453	49.3
93.03460	30.8
95.01386	5.5
98.21870	3.1
99.92558	1.4
101.02450	24.2
101.25327	1.3
113.02464	19.4
119.03515	16.4
121.02947	2.5
135.04518	3.4
136.01663	9.3
137.02457	100.0
138.02791	3.6
149.02441	2.0
151.04025	9.1
161.04546	1.9
169.01436	1.8
179.03493	49.2
179.05316	2.5
179.05727	2.7
209.04550	6.9
227.03496	2.1
239.05640	23.0
243.02972	2.2
253.28667	1.4
255.03032	1.8
270.98853	2.1
293.62512	1.6
298.98557	3.2
299.02200	15.8
299.07721	75.7
300.02209	2.2
300.08105	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	299.0776
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01381	1.3
69.08734	2.8
69.09145	0.7
71.01398	2.6
73.02921	0.4
85.02950	0.8
89.02470	0.9
93.03468	74.1
94.03794	2.0
98.22584	0.8
99.46025	0.4
101.02448	1.1
113.02434	0.8
119.05035	0.8
123.03265	0.7
137.02461	100.0
138.02843	3.2
138.05635	6.5
180.06638	0.5
224.79045	0.4
249.72049	0.4
299.07791	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	299.2019
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
56.27509	0.4
57.72427	0.5
59.01375	0.6
70.43047	1.3
77.67975	0.6
217.00154	0.7
270.98868	1.3
271.01974	0.6
298.98593	0.6
299.02063	0.7
299.20187	100.0
299.98889	0.8
300.20480	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	299.2019
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
54.55100	0.4
59.01392	0.8
64.83012	0.4
70.02265	1.1
84.38158	0.4
98.21938	0.6
141.80891	0.4
185.00844	0.9
217.00314	1.0
227.10794	6.6
228.11263	1.0
237.22130	0.7
242.99467	0.7
269.15387	0.7
270.98886	1.2
283.17096	1.1
298.98276	1.2
299.01920	1.0
299.20181	100.0
299.99197	1.2
300.15341	0.5
300.20554	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	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.16949	1.8
98.21798	4.5
108.32225	2.0
133.78291	2.0
147.33835	2.0
169.78955	1.9
190.80411	1.9
226.55891	2.2
251.12556	2.0
253.25349	13.7
254.25681	2.3
298.98447	2.3
299.02280	2.8
299.14655	2.7
299.25943	100.0
300.26270	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	300.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37046	0.2
52.15798	0.3
63.02398	0.5
65.00333	1.8
70.07928	0.8
71.24560	0.2
83.01389	0.6
83.78274	0.2
84.50050	0.2
91.01907	0.6
93.03457	0.4
93.95907	0.2
94.97753	0.2
97.48930	0.2
99.99726	0.2
107.01402	3.4
108.02187	4.2
109.02965	1.0
110.79684	0.2
114.36526	0.2
119.01317	0.2
120.02202	0.6
121.02956	0.7
123.00900	0.4
124.01667	0.5
129.03487	0.3
133.02916	0.3
135.00906	1.8
143.05061	0.6
145.02942	0.5
147.00908	0.9
147.04482	0.4
148.01689	4.6
149.02341	0.3
151.00389	4.3
152.01120	0.2
153.01910	0.3
154.27998	0.2
155.05025	0.5
157.02954	0.5
159.04555	0.6
161.02452	0.3
163.00380	2.5
164.01163	1.7
171.04550	1.0
173.02441	0.5
175.04044	0.4
178.99911	0.9
182.03772	0.5
183.04543	1.4
185.02435	1.0
187.03976	2.0
188.04715	0.2
190.99934	0.3
192.00679	0.7
193.30527	0.2
197.02515	0.3
198.03253	0.8
199.04005	5.1
200.04483	0.4
201.01959	2.3
202.02666	0.3
203.03474	1.5
211.04016	2.5
212.04486	0.2
213.01897	1.1
214.02681	0.3
215.03526	3.6
216.04213	0.7
225.02022	0.2
226.02727	2.4
226.99934	0.3
227.03511	7.0
228.03944	0.7
229.01434	2.7
242.02179	0.5
243.00368	0.5
243.02994	21.6
244.03395	1.6
254.02219	2.6
255.02998	36.6
256.03357	2.6
257.01028	0.3
271.02490	84.8
272.02908	6.8
273.03772	0.3
283.02222	0.3
283.99689	0.6
299.02045	2.5
300.02747	100.0
300.99866	13.4
301.03296	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	300.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	0.4
65.00319	1.2
69.04186	0.2
71.24567	0.2
71.27392	0.2
74.11600	0.2
81.86904	0.2
83.01399	0.5
91.01921	0.3
95.01387	0.3
95.36996	0.2
98.60712	0.2
107.01390	2.2
108.02193	3.7
109.02969	0.2
120.02193	0.7
124.01652	0.6
135.00888	1.8
139.04076	0.2
143.05046	0.4
147.00903	0.9
147.04515	0.2
148.01680	4.8
149.02043	0.3
151.00371	1.6
152.01030	0.4
153.01939	0.2
155.05116	0.4
157.02966	0.5
159.04556	0.5
163.00380	1.7
164.01189	1.7
164.39313	0.2
167.05042	0.4
171.04509	1.5
172.04997	0.3
173.02412	0.5
175.04102	0.4
178.99997	0.2
182.03746	0.3
183.04536	1.2
185.02469	0.5
187.03999	1.5
188.04391	0.2
189.51672	0.2
192.00665	0.7
192.94048	0.2
197.02422	0.4
198.03186	1.0
199.04030	4.9
200.04353	0.5
201.01987	2.1
202.02649	0.4
203.03517	1.6
211.03979	2.0
212.04251	0.3
213.01971	0.9
214.02509	0.3
215.03513	3.8
216.04309	1.1
226.02728	2.2
227.03502	7.5
228.03946	0.8
229.01405	1.8
230.02036	0.2
242.02257	0.7
243.02982	21.2
244.03413	2.5
254.02260	2.4
255.02998	36.2
256.03333	2.8
271.02490	81.7
272.02917	7.4
292.38992	0.2
299.02069	2.2
300.02747	100.0
300.99823	3.0
301.03140	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	300.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61269	0.2
57.09883	0.2
63.02391	0.3
65.00317	1.3
66.26713	0.2
83.01363	0.3
91.01905	0.4
95.01351	0.2
98.22527	0.5
107.01398	2.7
108.02187	4.7
120.02190	0.5
123.00912	0.2
124.01683	0.8
135.00926	1.9
143.05043	0.7
145.03003	0.3
147.00876	0.6
148.01692	4.9
151.00394	2.1
152.01131	0.5
155.05038	0.4
159.04562	0.4
163.00412	1.5
164.01155	1.4
165.01929	0.2
171.04530	1.6
172.05058	0.2
173.02390	0.2
174.03145	0.2
182.03677	0.4
183.04553	1.5
185.02496	0.2
187.03998	1.5
192.00667	0.5
197.02469	0.4
198.03252	0.9
199.04025	5.0
200.04535	0.3
201.02029	1.7
202.02666	0.4
203.03537	1.6
210.03111	0.4
211.04045	1.9
213.01927	0.9
214.02550	0.3
215.03503	3.2
216.04221	0.8
225.02095	0.3
226.02736	2.7
227.03528	7.7
228.03984	0.6
229.01387	1.2
242.02213	1.0
243.02998	23.3
244.03528	1.6
254.02275	2.9
255.03006	38.3
256.03348	2.4
271.02502	87.7
272.02945	7.5
294.02945	0.2
299.02060	2.4
300.02777	100.0
301.00009	0.6
301.03119	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00331	0.6
52.06216	0.2
59.01388	1.9
62.11667	0.2
65.00305	0.3
68.01419	3.0
69.46445	1.3
69.90195	0.2
71.01387	0.7
95.05033	0.6
96.04559	0.5
97.06622	0.2
98.21821	0.2
98.80663	0.2
107.01421	0.3
109.02981	0.3
110.02489	0.2
110.06155	0.4
111.14044	0.2
112.32930	0.2
121.02969	0.2
122.02519	1.2
122.06159	0.4
123.00894	0.2
123.03278	7.1
123.04550	0.5
124.04103	0.3
124.07687	0.8
125.02461	0.6
125.06081	0.3
126.23803	0.2
136.04063	0.4
136.07710	0.4
137.04858	1.0
138.05626	100.0
139.05971	2.8
139.41920	0.2
145.02971	0.4
150.05594	0.4
151.00378	0.3
152.03539	0.4
152.07210	1.7
157.02887	0.3
164.03548	0.3
166.08734	0.8
167.05901	2.0
168.06673	0.6
169.01460	0.5
173.02406	0.3
180.06683	5.6
185.02426	0.3
201.01904	0.2
210.07733	0.4
216.75369	0.2
217.01286	0.3
226.99637	0.3
229.01511	0.5
240.08949	0.2
241.95737	0.2
245.01035	0.3
256.03506	0.3
257.00854	0.3
283.99725	0.4
299.99142	1.5
300.02481	0.6
300.10925	12.4
300.99954	6.4
301.11295	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	300.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93629	0.2
58.41017	0.3
59.01386	2.2
60.01728	0.2
60.40331	0.3
68.01428	0.9
70.96040	0.4
71.01376	1.1
72.01740	0.3
72.99326	0.3
89.02444	1.3
93.03464	2.2
94.03810	1.9
95.05009	0.4
101.02440	0.5
113.02483	0.4
119.03511	0.3
119.05051	0.5
120.05420	0.4
122.02486	0.4
123.00923	0.5
123.03277	10.3
125.02551	0.4
125.06068	0.3
137.02457	2.9
137.04826	0.9
138.02811	3.2
138.05626	100.0
139.05980	3.5
145.02960	0.3
152.07217	0.6
165.04332	0.5
167.05917	0.6
169.01495	0.3
180.06697	1.9
193.48863	0.2
229.01341	0.3
235.24701	0.3
245.00818	0.3
245.77031	0.3
261.17731	0.3
263.77676	0.2
276.24100	0.2
296.72113	0.2
299.99127	0.3
300.10916	5.2
300.99902	3.1
301.03040	0.4
301.11325	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	300.9992
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
57.34792	0.3
68.96751	1.0
68.97176	2.3
71.70130	0.3
77.55651	0.3
79.26138	0.3
117.03494	1.2
118.69970	0.3
119.05092	0.5
129.03439	1.1
133.02982	0.8
141.03552	0.4
145.02969	3.6
157.02983	1.6
161.02464	0.7
163.04008	1.0
164.71120	0.3
173.02475	3.6
184.01797	0.4
185.02467	4.5
189.01935	1.2
199.00319	0.6
200.01161	1.4
201.01959	3.6
213.01964	0.5
216.00806	0.3
217.01419	1.4
226.99860	0.9
228.00539	1.1
229.01439	6.0
230.01819	0.4
234.66296	0.4
244.00117	0.6
245.00948	3.1
254.99396	0.9
257.00946	2.8
282.98874	0.5
283.99652	5.9
285.00189	0.6
299.99234	4.8
300.99915	100.0
302.00296	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	300.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78553	0.3
63.02394	1.1
65.00336	2.1
70.72004	0.3
76.42984	0.3
83.01398	1.1
90.01333	0.3
91.36384	0.3
93.03467	0.4
107.01402	2.6
109.02973	2.7
117.03485	0.8
119.01385	0.4
121.02975	3.0
129.03499	1.1
133.03001	0.8
145.02959	3.0
147.04512	0.7
149.02475	0.5
151.00394	8.5
157.02971	1.3
159.04562	0.4
160.01689	0.4
161.02505	0.9
163.00406	1.3
163.04048	1.0
169.01511	0.3
172.01697	0.3
173.02455	3.8
175.04051	0.5
178.99879	3.4
185.02437	4.6
186.66345	0.3
187.04022	0.6
189.01900	0.7
199.00371	0.7
200.01172	0.8
201.01953	3.9
201.05617	0.9
202.02301	0.3
204.98517	0.3
211.04150	0.7
212.01135	0.3
212.40138	0.3
213.01939	0.6
216.00691	0.5
217.01437	1.1
226.99919	1.2
227.03578	1.0
228.00725	1.1
229.01413	5.5
229.05136	0.8
243.03214	0.3
244.00096	0.7
245.00905	2.3
245.04660	1.1
254.99342	0.4
255.03134	1.6
256.03149	0.3
257.00906	2.4
272.02936	0.4
273.00357	0.4
273.04095	0.5
283.02631	1.0
283.99646	5.4
299.99109	4.4
300.99988	100.0
301.03589	16.7
302.00327	6.1
302.03922	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	300.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91900	0.2
69.48429	1.7
98.22607	0.3
114.94656	0.3
117.03481	0.9
129.03461	0.8
133.02963	0.5
145.02960	2.6
147.04576	0.5
151.00336	0.7
152.01033	0.3
157.02951	1.5
161.02469	0.7
163.03926	0.6
171.00931	0.3
173.02460	2.5
178.99869	0.4
185.02449	3.5
189.01949	0.8
199.00339	0.5
200.01086	0.5
201.01955	3.6
202.02199	0.4
212.01102	0.4
217.01395	0.8
226.99919	1.1
228.00595	0.6
229.01395	4.8
230.01706	0.5
244.00133	0.3
245.00922	2.5
245.04610	0.3
257.00912	2.4
273.00464	0.5
280.96613	0.3
283.99655	4.5
299.99146	4.3
300.99921	100.0
302.00272	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	300.9993
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
51.79759	0.3
93.89417	0.3
101.14294	0.3
117.03450	1.0
119.05054	0.4
127.01839	0.3
129.03467	1.1
145.02936	3.3
147.04517	0.7
157.02977	1.5
161.02382	0.4
163.04013	0.8
173.02467	3.2
176.62354	0.3
184.01627	0.5
185.02444	4.6
189.01961	1.0
199.00391	0.9
200.01105	0.7
201.01973	3.4
202.02298	0.4
213.02037	0.5
216.00644	0.6
217.01443	1.2
226.99887	1.2
228.00700	0.7
229.01457	5.3
240.00633	0.5
244.00215	0.4
245.00882	2.5
257.00903	2.4
273.00327	0.4
283.99615	5.3
299.99207	4.8
300.99921	100.0
302.00275	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	300.9993
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
63.02403	1.1
65.00322	1.9
66.92854	0.2
83.01404	1.3
89.03998	0.3
93.03479	0.7
107.01398	3.0
109.02998	0.3
117.03490	1.3
121.02970	2.8
129.03493	0.8
133.03004	0.7
141.03520	0.4
145.02975	4.1
147.04497	0.7
149.02490	0.4
151.00394	8.7
157.02977	1.7
160.01625	0.3
161.02451	0.7
163.04047	1.0
169.01395	0.6
171.52147	0.2
172.01654	0.3
173.02446	3.5
174.03026	0.3
178.99902	2.5
184.01703	0.3
185.02464	4.7
189.01953	1.0
199.00401	0.7
200.01241	0.7
201.01955	4.2
213.01970	0.4
216.00623	0.5
217.01396	1.1
226.99931	1.7
228.00641	1.0
228.57388	0.3
228.59767	0.3
229.01439	6.0
230.01755	0.4
244.00146	0.9
245.00955	2.8
246.01201	0.3
257.00928	2.3
273.00519	0.6
273.03851	0.4
283.99640	5.7
285.00012	0.5
299.99164	5.6
300.99969	100.0
301.03531	10.7
301.20200	2.5
302.00323	7.2
302.03854	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	300.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52803	0.3
63.02398	0.6
65.00318	1.2
69.05106	0.3
69.05431	3.0
77.03972	0.7
83.01395	1.3
85.51385	0.3
93.03458	1.1
95.01369	0.5
97.02960	1.6
107.01375	1.5
109.02963	1.2
114.58981	0.3
117.03471	1.1
119.01341	0.3
121.02966	3.1
124.01653	0.3
125.02440	0.4
129.03459	1.1
133.02974	0.6
137.02451	9.5
145.02971	3.9
147.04474	0.6
151.00346	3.5
152.01106	0.5
157.02942	1.9
161.02493	0.9
163.00371	0.5
163.04015	1.2
165.01942	39.0
166.02295	1.2
169.01424	0.5
173.02449	3.7
178.99893	1.5
184.01685	0.3
185.02451	4.8
187.03917	0.3
189.01921	1.1
199.00441	0.7
200.01186	1.3
201.01958	4.7
201.05780	0.4
201.94537	0.3
206.99332	0.4
213.01949	0.5
216.00754	0.5
217.01462	1.2
226.99954	1.0
228.00629	1.0
229.01436	6.1
230.01848	0.5
240.00795	0.5
244.00092	0.6
245.00912	2.8
245.04643	0.8
254.99388	0.4
257.00958	3.0
271.99673	0.3
273.00360	0.8
273.04007	1.1
283.99606	6.6
284.22922	0.3
285.00092	0.5
293.69794	0.3
299.99094	5.4
300.99930	100.0
301.03299	5.8
301.20169	0.9
302.00299	6.4
302.03464	0.4
314.24023	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	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15973	0.3
56.35605	0.3
59.01385	91.1
60.01725	0.8
61.98847	0.8
69.54983	1.9
74.99416	0.6
82.95436	0.5
90.97765	0.3
111.62613	0.4
114.98905	1.0
115.02527	10.4
116.02708	0.5
116.98677	0.6
117.00458	10.7
117.95531	1.1
118.00620	0.5
135.10948	0.4
136.63857	0.4
137.03552	0.3
141.00438	0.4
144.99924	0.8
156.93132	1.2
156.99960	0.9
157.03569	2.2
157.90866	0.4
158.90936	0.6
158.92880	0.5
159.01512	100.0
159.96544	4.7
160.01645	6.3
171.37032	0.3
172.99483	0.8
173.31885	0.4
201.02573	23.1
202.02731	1.8
217.00578	1.2
241.00586	0.6
259.01587	3.1
283.01630	0.5
301.00156	1.8
301.02698	48.0
302.02863	6.3
324.04187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25351	0.1
54.34347	0.1
63.02404	4.1
65.00328	7.6
65.03960	0.4
71.26280	0.2
71.26661	0.2
77.29440	0.2
83.01397	4.7
91.01897	0.5
91.84695	0.2
93.03471	2.5
95.01399	0.4
95.90035	0.2
101.04002	0.2
107.01403	12.7
108.02256	0.2
108.99294	0.2
109.02967	5.6
111.00892	0.2
117.03460	0.9
119.01388	0.9
119.05035	0.3
121.02969	11.0
122.03320	0.3
123.00883	0.2
124.01690	0.5
125.02457	0.6
129.03508	1.0
129.07141	0.2
131.05040	0.4
133.02979	0.8
135.00914	0.8
135.04518	0.2
136.01674	0.2
137.02458	0.5
139.04024	1.4
141.03497	0.3
143.01355	0.2
143.05037	0.2
145.02971	3.4
147.00941	0.4
147.04532	0.9
148.01666	0.3
149.02460	2.0
151.00386	35.5
152.00697	1.0
155.01416	0.3
155.05093	0.3
157.02968	1.8
157.06604	0.3
158.03546	0.2
159.04506	1.4
160.01718	0.2
161.02477	1.4
161.06128	0.3
162.03206	0.2
163.00406	3.5
163.01700	0.3
163.04025	1.5
164.01202	1.0
165.01941	0.3
167.04996	0.4
169.01477	1.5
170.03720	0.2
171.00809	0.3
171.04503	0.4
172.01764	0.2
173.02448	3.9
173.06075	0.3
174.03133	0.4
175.04019	1.0
177.05621	0.2
178.99876	12.8
180.00261	0.4
182.03697	0.2
183.04488	1.0
184.01678	0.3
185.02454	4.7
185.06076	0.6
186.02904	0.3
187.03990	1.1
189.01956	1.3
190.99928	0.5
191.03481	0.3
192.00677	0.5
193.01387	0.5
195.04417	0.2
199.00352	0.7
199.03990	0.7
200.01196	0.9
201.01950	4.3
201.05592	1.4
202.02419	0.2
203.03532	0.6
205.05190	0.4
211.04065	2.0
212.04720	0.4
213.01927	1.0
214.02670	0.2
215.03595	0.3
216.00713	0.4
217.01421	1.1
217.04985	0.3
226.99921	1.3
227.03479	1.7
228.00671	1.1
228.04123	0.4
229.01451	6.2
229.04951	1.5
230.01854	0.7
239.03465	1.0
239.19778	0.2
240.00676	0.3
243.03102	0.4
244.00157	0.6
245.00943	2.7
245.04582	3.1
246.04947	0.3
254.99464	0.4
255.03000	3.5
256.00226	0.4
256.03638	0.8
257.00946	2.7
257.04642	0.7
258.01294	0.2
266.02243	0.3
270.99380	0.2
271.02560	0.5
272.03055	0.4
273.00488	0.6
273.04089	2.1
274.04477	0.4
282.99197	0.3
283.02484	1.7
283.99692	5.5
284.02759	0.4
285.00037	0.4
299.01834	0.2
299.99200	5.4
300.02386	0.2
300.99954	100.0
301.03564	62.5
302.00287	6.4
302.03943	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	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80462	0.4
55.50554	0.5
63.02416	2.3
65.00329	3.4
69.06091	3.5
75.16003	0.4
83.01391	1.8
93.03472	1.4
98.21806	0.9
99.73806	0.4
107.01413	5.7
108.02178	0.6
109.02962	5.9
117.03481	1.1
119.01383	1.2
121.02965	5.8
125.02473	0.5
129.03497	1.1
131.01292	0.4
133.02963	1.0
135.00888	0.8
139.04060	1.1
141.03496	0.4
145.02969	3.1
147.04538	1.3
149.02475	1.9
151.00389	17.3
152.00813	0.6
157.02948	1.5
159.04533	1.7
161.02480	0.9
161.06070	0.5
163.00383	4.2
163.04042	1.4
164.01102	0.5
169.01479	0.6
171.04495	0.4
173.02446	4.5
173.05988	0.8
175.04024	0.7
178.99902	7.8
183.04536	0.9
185.02435	4.8
185.06111	0.6
187.04016	0.9
189.01949	1.2
190.99898	0.4
192.00743	0.6
193.01343	0.7
199.00415	0.5
199.04037	0.6
200.01054	0.7
201.01959	4.0
201.05598	1.6
202.02197	0.5
211.03986	2.0
212.04686	0.7
213.01990	1.4
217.01407	1.4
226.99841	1.2
227.03581	1.9
228.00673	0.9
229.01451	5.7
229.05083	1.7
230.01877	0.5
236.40233	0.5
239.03445	0.6
243.02969	1.0
244.00014	0.9
245.00957	2.5
245.04613	2.7
254.99400	0.4
255.00220	0.4
255.03009	3.9
256.03470	1.4
257.00922	2.7
257.04276	0.5
258.01358	0.5
271.02383	0.6
272.02872	1.8
273.01028	0.4
273.03989	2.2
279.44452	0.4
283.02560	1.8
283.99722	5.3
299.99179	4.7
300.99915	100.0
301.03534	43.0
302.00256	7.2
302.03906	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	301.0356
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.74884	0.6
54.07299	0.4
61.74519	0.3
63.02399	10.2
65.00328	16.6
69.54395	0.3
70.31236	1.2
73.75667	0.4
83.01393	10.2
88.28262	0.4
93.03464	4.9
95.01415	0.8
107.01399	23.6
108.02260	0.5
109.02961	3.5
111.00864	0.4
111.89083	0.3
116.13245	0.3
121.02970	22.2
122.03275	0.4
124.01672	0.5
125.02457	1.2
139.04028	1.8
148.01646	0.5
149.02478	3.0
150.02809	0.4
151.00378	71.3
152.00745	2.1
159.04498	0.7
161.02455	1.5
163.00386	1.6
163.04062	0.9
164.01199	1.6
165.01868	0.5
165.76912	0.4
169.01419	2.1
171.04431	0.6
175.03992	0.7
177.05551	0.6
178.99876	25.2
180.00162	0.9
183.04434	0.7
187.04021	0.7
192.00677	0.5
193.01427	1.5
196.00089	0.4
201.05557	1.1
203.03584	0.5
205.05019	0.6
211.04051	1.0
227.03482	0.9
229.05101	2.2
230.05490	0.4
239.03542	0.4
243.03058	0.5
245.04628	2.2
255.02933	0.7
257.04617	0.5
271.02487	0.5
273.04095	3.1
274.04474	0.4
299.01746	0.6
301.03546	100.0
302.03903	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	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47974	0.3
54.84203	0.3
69.03464	0.7
69.10960	1.8
69.11369	0.5
71.29520	0.3
73.05677	0.3
75.03374	0.2
77.03970	1.6
83.01392	1.1
87.98801	0.3
93.03467	2.3
95.01391	0.6
97.02952	4.1
98.22011	1.1
98.22596	0.3
104.43176	0.4
107.18571	0.3
109.02975	0.9
117.03455	0.5
119.05077	0.3
121.02960	5.6
129.03477	0.9
133.02986	0.9
133.73633	0.3
137.02457	22.7
138.02789	0.6
144.02162	0.3
144.04547	0.6
145.02979	3.0
147.04471	0.6
157.02975	1.3
161.02458	0.6
163.03983	0.9
165.01942	100.0
166.02278	3.4
171.00815	0.4
173.02423	2.9
185.02469	3.9
189.01907	1.1
198.33768	0.3
199.00542	0.4
200.01204	0.5
201.01912	3.8
213.01971	0.6
216.00681	0.4
217.01418	1.1
226.99904	1.2
228.00699	0.9
229.01433	5.2
244.00299	0.6
245.00928	2.8
254.99359	0.5
257.00922	2.2
257.12918	0.3
283.99640	5.1
284.99908	0.3
299.99167	4.9
300.99921	89.5
302.00262	5.1
302.03613	0.6
306.42383	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	301.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	1.1
65.00326	3.5
69.22301	1.7
69.22722	1.9
77.09250	0.4
83.01399	1.7
93.03452	1.3
105.03488	1.0
107.01401	4.4
117.03487	1.0
119.05078	0.4
121.02941	1.1
123.00954	0.5
125.02483	0.9
129.03487	0.7
133.02966	1.2
145.03001	2.5
147.04529	0.6
149.02455	29.3
150.02826	1.1
151.00386	10.0
152.01067	0.5
157.02940	1.3
161.02443	1.2
163.04025	0.9
173.02502	2.1
178.99860	0.6
183.04457	0.6
185.02460	3.7
185.06070	0.4
187.03983	1.1
189.01935	1.4
191.03493	3.8
201.01926	2.7
201.05528	1.0
211.04021	0.6
213.01961	0.8
215.03546	2.1
217.01486	1.5
226.99947	0.5
227.03455	1.6
229.01381	5.0
229.05061	1.0
233.04482	1.3
239.01225	0.5
239.03349	2.0
245.00931	2.0
245.04601	2.5
254.02167	0.6
254.99318	0.6
255.03023	1.8
257.00958	1.9
257.04495	1.2
259.02512	0.6
273.01297	0.4
273.04099	3.5
283.02603	1.0
283.99631	4.0
299.99228	4.6
300.02472	0.7
300.99918	75.5
301.03534	100.0
302.00253	4.2
302.03870	5.4
307.23380	0.5
322.07166	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	301.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02406	5.8
63.85139	0.1
64.02777	0.2
65.00332	9.4
65.03970	0.3
67.01909	0.4
68.99818	0.2
77.41322	0.1
79.01915	0.3
80.02711	0.1
81.03496	0.2
83.01397	5.4
91.01906	1.6
93.03468	3.7
95.01386	0.7
107.01405	15.0
108.02264	1.4
108.99349	0.2
109.02972	14.1
110.03313	0.3
111.00906	0.3
115.05565	0.2
117.03500	0.3
119.01395	2.1
119.05074	0.2
120.02209	0.2
121.02972	13.3
122.03320	0.4
123.00922	0.4
124.01717	0.7
125.02487	1.1
129.03484	0.3
129.07082	0.1
130.04279	0.4
131.05060	0.4
133.02979	0.9
135.00896	1.8
135.04535	0.3
136.01353	0.2
137.02444	0.8
139.04022	2.3
139.05582	0.3
143.05051	0.7
145.03004	1.0
145.06679	0.2
146.03705	0.4
147.00952	0.6
147.04538	0.8
148.01692	1.2
149.02472	2.7
151.00389	41.5
152.00717	1.3
155.05013	0.4
157.02950	0.4
157.06580	0.4
158.03706	0.4
159.04527	2.6
160.04929	0.2
161.02480	1.3
161.06100	0.5
162.03246	0.1
163.00388	8.7
163.04012	1.0
163.29970	0.1
164.01184	1.4
165.01877	0.6
167.05061	1.1
169.01485	2.3
169.02896	0.3
170.03780	0.5
171.04523	0.9
172.05048	0.3
173.02472	0.8
173.06157	1.1
174.03227	0.6
175.04047	1.2
177.05612	0.3
178.99884	17.0
180.00241	0.7
182.03757	0.6
183.04523	2.5
184.04977	0.4
185.02496	1.5
185.06088	0.9
186.03151	0.4
187.04019	2.3
188.04369	0.3
189.01991	0.4
189.05597	0.4
190.99899	1.1
192.00639	0.6
193.01413	0.9
195.04510	0.5
196.00214	0.2
197.02184	0.2
198.03191	0.4
199.03992	1.7
200.04387	0.9
201.01945	0.8
201.05600	2.6
202.02390	0.5
203.03529	1.4
204.03853	0.3
205.05089	0.4
210.03099	0.3
211.04024	4.1
212.04576	0.9
213.01959	1.0
213.05504	0.2
214.02603	0.6
215.03476	0.8
216.03871	0.8
217.04939	0.6
226.02785	0.6
227.00009	0.3
227.03506	5.3
228.03952	1.9
229.01559	0.8
229.05048	2.7
230.02065	0.4
230.05385	0.2
231.03020	0.2
233.04515	0.2
239.03476	1.1
240.04250	0.6
242.02168	0.2
243.02991	2.0
244.03325	3.6
245.00624	0.3
245.04572	7.4
246.04843	0.3
255.02991	10.0
256.03391	7.3
257.00906	0.4
257.04395	0.9
259.02322	0.2
265.01556	0.2
266.02176	0.7
271.02524	2.5
272.02847	13.9
273.04037	4.0
274.04272	0.2
283.02502	4.1
283.99619	0.9
284.03046	0.6
299.01706	0.2
299.99081	0.7
300.02448	0.7
300.99966	14.3
301.03415	100.0
302.00211	0.9
302.03729	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	301.035
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02407	5.6
65.00335	10.0
66.00686	0.5
83.01395	5.2
91.01913	0.7
93.03465	3.2
98.21757	1.3
98.22468	1.6
106.58914	0.6
107.01402	16.5
108.02188	0.6
109.02959	5.2
117.03477	1.1
119.01406	0.6
121.02974	14.1
129.03514	0.9
131.67027	0.4
133.03012	0.8
135.00989	0.6
139.04019	1.5
145.02980	3.4
147.04526	1.0
149.02432	1.8
151.00386	36.5
152.00717	1.2
157.02965	1.9
159.04506	1.3
161.02464	1.8
161.06160	0.5
163.00418	4.1
163.04041	1.5
164.01173	0.8
167.04922	0.5
169.01477	0.9
173.02475	3.5
173.06038	0.6
174.03075	0.5
175.04063	0.8
178.99879	13.4
180.00165	0.5
183.04507	0.9
183.79956	0.5
185.02448	5.4
187.04089	0.9
189.01904	0.9
193.01418	0.6
200.01160	1.1
201.02011	3.8
201.05551	0.8
203.03549	0.6
211.04007	2.1
213.01923	1.0
217.01387	1.5
226.99945	1.2
227.03534	1.7
228.00656	0.8
229.01453	5.3
229.05089	1.7
239.03481	1.1
243.03004	0.9
245.00961	3.2
245.04579	2.7
254.99448	0.5
255.00584	0.5
255.03026	3.8
256.03320	1.1
257.00894	2.8
257.04648	0.9
271.02490	0.5
272.02914	1.3
273.00504	1.0
273.04053	3.0
283.02567	1.3
283.99649	5.6
299.01907	0.9
299.99036	4.6
300.99939	100.0
301.03558	55.6
302.00278	6.9
302.03925	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	301.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	5.4
65.00329	8.7
65.03963	0.3
66.00683	0.2
67.01904	0.3
69.02571	0.4
69.02999	0.8
75.03701	0.1
79.01927	0.2
81.03468	0.4
83.01395	5.6
91.01903	1.2
92.16370	0.1
93.03471	3.2
93.04036	0.2
95.01439	0.4
97.02970	0.2
98.22553	0.3
107.01403	14.2
108.02260	1.3
108.99355	0.3
109.02969	13.0
110.03291	0.3
111.00904	0.4
115.05585	0.2
117.03487	0.3
119.01391	1.9
119.05035	0.3
121.02970	13.1
122.03300	0.4
123.00906	0.6
124.01705	0.8
125.02496	1.1
127.05585	0.1
129.03471	0.1
129.07080	0.3
130.04245	0.1
131.05043	0.6
133.02980	0.7
135.00900	1.6
135.04561	0.3
137.02460	0.8
139.04027	2.0
139.05621	0.2
143.05064	0.5
145.02991	0.8
145.06630	0.4
146.03748	0.5
147.00937	0.4
147.04535	0.8
148.01714	1.3
149.02498	2.5
150.72006	0.1
151.00385	40.5
152.00714	1.3
153.01939	0.3
155.05025	0.5
156.05826	0.2
157.02962	0.2
157.06609	0.5
158.03752	0.2
159.04529	2.1
160.05148	0.1
161.02469	1.3
161.06091	0.5
162.03192	0.2
163.00392	8.7
163.04033	0.6
164.01210	1.0
165.01964	0.7
167.05034	1.1
168.94124	0.1
169.01457	2.2
169.02852	0.2
170.03755	0.2
171.04523	1.0
172.05240	0.3
173.02533	0.6
173.06113	1.0
174.03249	0.5
175.04016	1.2
177.02017	0.2
177.05656	0.2
178.99876	17.2
180.00209	0.7
182.03726	0.4
183.04552	2.4
184.05086	0.5
185.02481	1.3
185.06055	1.1
186.03110	0.2
187.04025	2.2
188.04501	0.5
189.01942	0.4
189.05554	0.4
190.99899	0.8
191.03477	0.2
191.51314	0.1
192.00623	0.8
193.01402	0.8
195.04506	0.2
196.00204	0.2
198.03192	0.4
199.04016	1.6
200.01140	0.3
200.04494	0.9
201.01961	1.0
201.05597	2.4
202.02455	0.5
203.03557	1.1
204.03815	0.3
205.05064	0.3
210.03195	0.3
211.04030	4.5
212.04581	0.7
213.01971	1.2
213.05539	0.4
214.02737	0.7
215.03557	0.8
216.04002	0.7
217.05029	0.4
226.02724	0.5
227.03493	4.7
228.03955	1.5
229.01617	0.8
229.05077	3.2
230.02069	0.3
230.05354	0.2
231.02937	0.3
239.03532	1.2
240.04189	0.7
243.03018	2.3
244.03346	3.6
245.00677	0.3
245.04573	7.0
246.04831	0.4
255.02992	9.5
256.03384	7.1
257.00940	0.4
257.04358	1.0
257.41037	0.1
259.02512	0.1
265.01407	0.2
266.02206	0.5
271.02496	2.3
272.02853	14.4
273.04031	3.9
274.04446	0.2
282.99323	0.2
283.02493	4.3
283.99561	0.6
284.02991	0.6
295.05206	0.1
299.99072	0.7
300.02432	0.6
300.99966	13.2
301.03412	100.0
302.00238	0.9
302.03738	6.3
313.05725	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	301.0565
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
57.03448	3.5
65.00333	2.5
69.03426	1.0
71.01342	0.6
74.02464	1.2
78.95872	1.1
79.01830	0.5
81.03490	2.4
83.00950	0.8
83.01393	11.9
84.66372	0.6
88.98785	1.4
93.03465	0.5
95.01382	0.6
97.02921	2.1
98.02468	0.6
99.89704	0.5
103.92034	0.6
106.77457	0.5
107.01405	7.2
121.02947	0.6
123.00896	5.2
124.01687	8.6
125.02457	70.3
126.02808	1.8
126.98888	0.8
136.99109	0.7
138.03273	1.4
139.04008	1.2
145.02956	0.9
149.02489	1.4
149.99603	13.0
151.00380	40.1
152.00769	1.7
153.49986	0.5
167.03575	0.8
168.00645	32.9
169.01434	41.4
170.01830	1.5
173.02382	0.7
175.00482	2.1
180.06662	0.6
185.02553	0.8
191.41803	0.5
193.01448	1.3
196.99388	1.2
201.02002	0.7
205.01494	1.3
211.02565	0.7
222.07901	1.1
229.01633	1.8
245.01025	0.7
257.01059	0.8
281.05154	0.6
283.04657	2.7
283.99948	1.0
301.00284	23.2
301.05649	100.0
302.00574	1.3
302.03476	1.0
302.06165	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	301.0566
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
55.04776	0.6
59.50972	0.5
59.81625	0.5
67.33420	0.5
69.03446	1.3
69.72588	2.9
79.01897	0.5
85.58483	0.5
97.02954	1.8
107.01378	1.7
118.21178	0.4
123.00899	2.5
124.01678	12.3
125.02461	40.4
126.02787	1.2
137.02521	0.6
145.20923	0.5
149.99606	20.0
151.00296	1.6
168.00661	51.3
169.01433	6.0
170.53691	0.6
171.76407	0.6
219.96414	0.5
283.04651	6.1
301.05667	100.0
302.05984	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	301.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94887	5.9
69.03451	2.0
79.01884	0.8
81.03462	0.6
83.01400	1.9
95.01382	0.8
97.02976	2.2
98.22464	1.3
107.01415	1.9
108.34316	0.6
123.00890	4.0
124.01682	21.2
125.02464	64.2
126.02812	2.0
137.02451	0.8
149.99606	35.3
151.00401	4.0
168.00664	87.4
169.01408	10.6
251.45705	0.8
283.04657	6.9
301.05688	100.0
302.06027	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	301.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01391	0.7
61.98782	0.5
69.03451	1.2
69.50320	2.1
69.50755	0.9
71.01405	3.8
73.02950	1.1
79.01875	0.9
81.03452	0.9
83.01408	2.6
85.02951	2.5
88.98808	2.0
92.99399	0.5
95.01393	6.5
97.02956	1.8
99.00928	0.5
101.02445	2.7
107.01411	1.6
108.02192	0.8
109.02979	0.6
113.02428	2.3
116.44618	0.5
119.94394	0.5
121.02964	2.4
123.00902	100.0
124.01736	8.8
125.02462	63.8
126.02795	1.7
136.01631	0.6
137.02446	3.1
138.03247	60.7
139.00395	1.7
139.04065	12.0
149.02466	2.4
151.00388	7.1
151.04037	2.2
159.02998	0.8
161.04558	3.1
163.04015	0.6
166.02696	3.1
168.00674	5.9
169.01445	91.7
170.01765	3.4
178.02751	1.2
181.05092	5.7
193.05093	2.2
194.03458	0.8
260.72437	0.5
296.70233	0.5
300.99988	1.9
301.05707	41.2
302.06055	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	301.1085
Annotation	BAUHINOXEPIN F
Peak:m/z	Relative Intensity
63.02389	1.6
65.00304	5.0
67.01896	6.7
81.03416	1.4
83.01391	3.9
93.03481	1.7
95.01389	9.6
107.01398	12.5
108.02166	2.3
111.00886	19.6
121.02935	4.5
123.00898	67.4
124.01684	44.5
125.02440	3.9
129.03430	1.9
138.03160	2.1
139.00435	5.9
145.02968	3.8
151.00392	17.5
152.00737	1.5
164.40759	1.3
165.01817	1.9
169.01274	1.4
173.02466	2.6
178.99876	5.6
185.02379	4.1
201.01862	3.3
229.01381	5.4
245.00897	2.3
255.06677	1.9
257.00763	1.9
257.04507	1.5
271.02682	1.7
273.00424	1.6
283.99640	4.9
286.05188	2.0
286.08392	13.6
299.99155	4.3
300.99866	100.0
301.03455	25.0
301.07236	4.6
301.10800	92.8
302.00201	10.8
302.03583	2.8
302.11191	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	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97508	0.9
63.49669	0.5
65.00347	0.5
70.81397	1.0
74.99094	0.9
85.70795	0.4
118.96293	0.8
124.61581	0.4
134.99411	6.3
136.97318	2.7
143.05376	1.0
150.98907	0.6
159.08507	1.7
161.06419	6.0
173.02449	0.5
185.02448	0.5
188.38293	0.4
201.19453	0.4
203.05664	3.4
205.03551	1.3
215.05682	1.3
217.07219	81.0
218.07393	4.4
261.06094	0.7
283.11896	0.9
283.99454	0.5
285.13504	31.5
286.13605	2.9
299.99030	0.8
300.99979	8.2
301.16611	100.0
302.00278	1.1
302.16788	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	303.0511
Annotation	2-hydroxyeriodictyol
Peak:m/z	Relative Intensity
50.03008	0.3
65.00297	0.4
67.01869	1.4
67.86550	0.4
68.00414	0.4
68.99828	0.5
71.01376	0.5
71.27644	0.6
71.28035	0.5
79.01891	0.9
81.03451	0.8
93.03444	1.3
95.01368	1.3
95.05015	1.0
96.95654	0.4
105.03442	2.3
107.01385	0.6
108.02214	2.1
109.02952	1.0
110.03262	0.4
111.24357	0.4
113.63282	0.5
121.02965	2.0
122.03786	3.3
123.00903	10.3
123.04538	49.1
124.04864	0.8
125.02468	4.6
125.73533	0.4
132.20804	0.3
133.02924	1.1
134.03781	0.4
137.02478	0.8
139.00406	1.7
139.04019	0.8
141.01973	1.0
144.36842	0.4
149.02470	4.3
150.03250	10.3
151.00444	7.7
151.04021	100.0
152.00771	0.9
152.04327	3.5
153.00844	0.5
153.01942	6.6
154.02530	0.5
169.01460	2.4
170.01811	0.5
177.02000	1.2
181.00342	0.4
211.04089	0.7
219.38145	0.5
230.99370	0.5
257.04578	3.5
274.03314	0.8
275.05713	2.5
303.00772	1.5
303.05121	25.2
304.05417	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	303.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85550	0.9
56.59042	0.9
57.03456	1.1
62.93286	0.8
66.02489	1.0
68.03719	0.9
69.03426	1.2
71.20998	1.2
77.03976	1.0
78.64447	1.0
79.01880	1.2
79.15484	1.1
81.03455	9.7
83.01389	4.8
91.01914	1.2
93.03448	2.2
95.01397	1.7
95.05034	2.8
96.96015	3.8
97.02952	4.3
99.04531	5.9
105.03487	1.4
107.01405	1.5
108.02166	2.5
109.02963	100.0
110.03271	2.7
110.14876	1.1
111.00915	1.2
119.05025	3.2
121.02968	6.1
123.00891	7.7
123.04534	14.0
124.01664	1.7
125.02464	20.6
126.02798	2.1
133.02943	1.4
137.02460	16.5
139.00459	1.3
139.04004	3.2
141.01985	1.4
147.04500	1.7
149.02412	3.0
150.03265	1.7
151.00369	3.3
151.04030	16.9
153.01970	1.7
161.06143	1.3
163.00533	1.0
164.01135	2.5
165.01949	32.9
165.16840	1.1
166.02286	1.1
167.03519	83.4
168.03874	2.9
169.01408	6.7
170.01746	2.4
174.03174	2.0
175.04013	3.4
177.01961	4.1
187.04077	1.7
189.05571	2.3
193.01463	15.8
199.03934	2.2
201.02180	1.2
216.04289	1.5
217.05051	8.7
217.84184	1.0
219.03050	1.7
231.06656	1.4
232.53145	1.4
235.06145	1.9
241.04980	2.6
243.02992	1.3
243.12311	2.3
259.02490	2.6
259.06085	10.7
261.13358	1.6
268.42566	1.1
275.05389	1.5
285.04080	4.0
302.55554	3.7
303.00671	21.4
303.05093	37.7
303.08783	2.3
303.14609	1.8
304.05389	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	303.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	1.2
57.03452	19.5
63.04560	0.7
65.00316	2.8
66.07943	0.7
69.10641	1.2
69.11044	5.9
73.97398	0.7
81.03456	1.4
83.01400	5.3
84.20985	0.7
88.24080	0.8
93.03474	1.3
95.01447	0.8
105.03439	0.9
107.01380	2.6
109.02971	3.2
111.00891	1.1
121.02951	1.4
122.03732	1.8
123.04534	7.7
124.01688	1.3
125.02462	100.0
126.02778	3.0
133.03001	1.0
137.02444	1.4
139.04027	2.6
140.79858	0.9
143.05046	1.8
147.04532	2.3
149.02432	7.2
150.03252	6.2
151.00410	7.8
151.04037	9.4
152.01135	2.7
153.01962	7.7
161.06104	0.8
171.04536	1.1
174.03273	4.1
175.04007	17.0
177.01935	19.0
178.02272	1.0
178.99867	8.0
181.01460	3.0
185.05975	1.0
187.04012	1.0
188.04857	1.2
189.05597	4.5
193.05103	3.1
199.03998	7.4
201.01964	3.1
213.05597	1.6
216.04256	1.2
217.05066	8.4
241.05043	6.6
243.02863	1.1
259.06137	4.2
275.05658	6.7
285.04077	62.7
286.04269	5.0
303.00555	6.6
303.05063	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	303.0513
Annotation	8-Hydroxyfustin
Peak:m/z	Relative Intensity
53.17397	0.4
55.24855	0.4
62.24216	0.5
67.01897	1.2
68.99843	0.6
69.22900	3.2
78.25639	0.5
79.01891	1.8
81.03462	0.7
84.85220	0.6
86.92616	0.6
93.03466	1.0
95.01389	2.8
95.05038	1.2
97.02965	0.5
100.27214	0.5
105.03495	2.7
106.71467	0.5
108.02190	2.0
109.02967	1.4
121.02970	2.2
121.09959	0.5
122.03789	3.7
123.00899	18.5
123.04540	43.7
124.04887	1.4
125.02440	4.3
127.78141	0.5
133.02985	1.2
134.03783	0.7
137.02452	1.5
139.00368	4.5
139.04041	0.6
141.01955	2.3
141.80910	0.5
149.02460	6.3
150.03227	10.5
151.00412	14.0
151.04022	100.0
152.04376	3.5
153.01971	2.0
165.02014	0.8
177.01970	1.5
257.04611	4.1
259.02502	1.4
275.05704	2.3
285.00479	1.6
303.00833	4.7
303.05112	28.4
304.05457	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	303.1239
Annotation	3',4'-Dihydroxy-3,4,5-trimethoxybibenzyl
Peak:m/z	Relative Intensity
50.96166	0.9
58.02968	2.8
65.00308	1.7
67.01872	2.1
68.99808	1.9
71.01373	2.4
71.27649	0.7
71.27991	1.0
71.79121	0.7
72.99298	2.6
74.00590	0.7
82.00626	1.1
83.01385	3.5
87.00916	1.0
87.46011	0.7
90.79117	0.7
92.44510	0.8
95.01392	1.5
96.99305	1.2
106.00625	1.9
107.01404	5.5
110.00114	4.6
111.00896	24.2
111.94703	0.7
119.24119	0.8
123.00916	0.8
124.01665	14.7
124.98845	0.8
125.02457	13.1
127.00375	10.6
136.98808	15.5
137.99759	0.8
139.00381	25.0
140.01170	43.3
141.01555	1.1
154.99823	3.0
161.39546	0.8
168.00650	49.8
168.13936	9.5
169.01433	47.1
170.01814	1.2
178.06352	3.7
259.13324	1.0
303.12387	100.0
304.12668	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	303.1241
Annotation	3',4'-Dihydroxy-3,4,5-trimethoxybibenzyl
Peak:m/z	Relative Intensity
51.95094	1.3
55.11841	1.3
70.15331	4.9
73.51633	1.3
80.63184	1.3
124.01678	2.1
137.02448	1.5
147.04538	2.3
149.02444	2.1
150.03226	4.8
150.89342	2.0
151.04022	1.8
152.04715	1.9
161.06145	1.7
163.04028	2.4
165.02022	1.7
166.02754	11.3
172.05344	2.0
173.06056	4.4
175.04016	19.7
188.04868	2.2
189.05620	14.1
190.06371	30.5
191.06856	1.8
193.01364	4.1
194.02200	2.2
209.00941	16.6
210.14331	1.5
229.08682	1.9
259.13425	5.9
303.00848	3.0
303.12399	100.0
304.12726	7.3
313.62384	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	303.1242
Annotation	3',4'-Dihydroxy-3,4,5-trimethoxybibenzyl
Peak:m/z	Relative Intensity
53.25119	0.6
69.12057	5.9
69.34652	0.7
98.21797	1.3
101.60680	0.6
109.02946	3.4
121.02934	0.9
124.01677	4.1
136.01704	3.3
137.02463	7.5
138.03238	11.0
140.11987	0.7
143.04984	0.7
145.06790	0.7
147.04579	0.8
149.02449	4.8
150.03218	11.9
151.03989	1.6
152.01147	3.8
154.99826	0.6
161.06096	2.7
166.99875	0.9
168.00507	0.7
171.04417	0.8
172.05257	0.9
173.06084	1.4
174.03262	1.4
175.02673	1.1
175.04005	8.7
176.04718	2.4
177.05482	1.8
178.06300	2.2
182.99287	0.8
184.50218	0.7
189.05580	22.6
190.06348	16.1
191.07054	2.8
194.99352	5.2
201.05418	0.8
204.08040	0.9
231.13977	0.8
238.31686	0.8
241.60112	0.6
244.11099	1.2
258.28500	0.7
259.13419	13.1
260.13831	1.5
273.28488	0.7
303.00757	3.4
303.12387	100.0
304.12766	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	303.2332
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.01884	7.5
61.98834	0.5
62.16553	0.5
70.14889	1.6
70.15250	0.7
71.99117	0.4
79.89606	0.4
81.03426	0.4
94.92529	1.1
95.05029	2.4
116.92907	0.5
136.05309	2.3
137.05659	0.9
149.06068	2.7
163.07628	1.1
176.69124	0.7
218.86708	1.0
247.20660	2.5
303.00427	1.8
303.23309	100.0
304.23648	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	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07486	0.3
55.54916	0.2
58.41608	0.3
59.01381	15.6
60.01711	1.6
61.98835	100.0
69.18726	0.7
69.19140	1.8
85.48090	0.3
87.25790	0.3
114.84965	0.3
115.02607	0.3
116.02635	0.5
117.02273	0.9
117.95575	0.5
117.97336	0.5
118.97572	0.8
119.00206	0.9
119.95231	2.1
134.97064	5.9
159.01503	2.4
159.96545	1.9
160.01653	7.4
161.01215	9.2
161.93675	0.4
161.96294	6.6
161.98955	20.5
162.01575	1.6
162.96544	10.5
162.99135	1.0
176.98108	1.8
185.01358	0.3
202.02721	1.9
203.02313	2.0
204.00027	3.9
204.02773	0.6
261.99088	0.4
262.01654	0.5
304.00186	10.2
304.02902	5.8
304.99951	0.7
305.02722	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	304.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
58.02701	0.9
58.02975	17.1
59.01363	3.6
65.36784	0.9
66.99945	1.0
70.02966	0.9
71.01382	12.6
71.26407	0.8
71.26801	1.1
83.05029	4.8
85.06585	1.6
88.04046	100.0
95.99596	0.8
109.02938	1.5
109.06595	6.9
111.04510	4.9
112.04010	1.7
114.01952	3.9
115.00383	22.0
125.02463	8.1
127.07646	8.3
128.03519	0.8
129.05591	52.8
130.05109	22.5
130.06024	2.1
130.08754	2.0
132.03040	17.5
137.02472	2.0
139.04007	2.4
143.11876	1.8
150.03079	0.9
150.39323	0.8
151.03986	1.2
152.04381	1.0
153.05553	1.9
161.02428	1.8
165.01929	1.3
170.08223	8.3
171.06589	2.8
174.04073	6.2
179.03445	1.6
188.09291	34.7
189.07707	19.5
189.09427	1.1
219.06517	1.1
233.00882	1.6
242.10353	2.2
260.11398	2.6
266.83197	0.9
274.14160	1.9
275.98700	2.3
286.09369	3.2
304.10382	61.3
305.03152	1.5
305.06677	6.0
305.10562	3.4
329.01965	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	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	40.7
61.80220	0.3
71.04037	0.4
104.26850	0.4
139.67331	0.4
155.27711	0.3
168.13951	100.0
169.14317	4.4
212.12933	6.4
228.72078	0.4
263.04364	0.4
304.18933	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	304.9943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77575	0.7
57.03441	1.4
58.02988	1.3
59.01381	1.2
60.45547	0.7
65.00344	0.9
70.61452	2.1
71.01386	1.7
74.02464	2.8
80.47346	0.7
82.27128	0.7
83.54179	0.7
85.43575	0.7
86.02474	1.0
89.03953	1.6
91.01897	0.8
93.03454	8.6
95.05026	2.3
96.96015	1.9
99.05657	2.2
100.89794	0.8
101.02432	0.9
103.01906	1.8
105.03488	6.9
109.02980	1.6
115.01910	0.8
117.03455	4.5
121.02962	14.0
123.00880	0.8
123.04516	2.9
124.01689	1.1
125.02466	12.9
128.03549	5.3
131.01384	6.0
132.02202	1.3
133.02969	15.5
135.04549	1.8
137.02467	3.2
139.04044	8.2
143.04633	9.0
145.02966	3.3
147.00916	2.4
149.02460	15.6
151.04054	1.1
159.00862	4.1
160.00670	1.2
161.02464	20.7
163.00285	1.0
164.01166	1.0
165.01974	3.7
167.03528	3.2
171.00815	0.9
173.02435	1.3
175.00388	1.4
176.01117	3.8
177.01942	31.3
178.02374	1.1
179.03389	3.6
179.04832	1.3
187.00386	5.9
189.01945	8.8
193.01508	1.0
199.07668	1.2
202.99976	1.3
204.00580	1.8
205.01439	31.2
206.01878	1.3
210.08861	1.6
214.99852	16.6
216.00542	2.0
217.01408	4.4
219.06425	1.3
232.00177	1.3
233.00935	61.3
234.01332	2.6
236.45644	0.7
242.99312	7.4
244.00090	1.6
254.07811	2.1
261.00415	54.2
262.00806	2.3
272.08896	2.0
276.98975	0.9
287.11765	0.8
304.99417	100.0
305.06442	8.2
305.99805	5.0
306.07620	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	304.9942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84444	0.7
57.03430	0.9
58.02979	0.9
59.01395	1.9
67.41079	0.8
69.09225	0.7
70.85667	0.7
71.01385	1.8
71.26179	0.9
71.26552	1.3
74.02483	5.0
77.04028	1.0
86.02489	1.5
87.05683	1.0
89.02444	1.3
89.03981	2.2
93.03469	4.8
95.05042	1.8
96.96043	1.5
99.05663	3.0
103.01891	1.4
105.03467	7.8
109.02994	0.9
115.01906	0.9
117.03502	4.3
121.02967	13.7
123.04521	2.3
125.02467	5.1
125.03371	0.7
128.03557	7.4
131.01378	4.3
133.02972	15.1
134.26102	0.8
135.00940	0.8
135.04544	1.9
137.02486	2.0
139.04044	5.5
143.01393	0.9
143.04626	9.6
145.02968	3.6
146.04730	0.9
147.00914	1.6
149.02444	14.3
150.02699	0.9
151.04007	1.4
159.00865	3.5
160.00685	1.2
161.02467	15.7
165.01924	1.3
167.03484	1.3
173.02449	1.0
175.00328	1.5
176.01125	3.6
177.01950	30.3
177.03476	2.2
179.03474	3.3
179.04813	1.2
181.76956	0.9
187.00447	4.8
189.01970	6.5
190.02357	1.3
199.07608	0.9
204.00679	1.1
205.01448	32.2
206.01819	1.5
210.08839	2.5
214.99893	16.7
216.00455	1.8
217.01424	3.3
217.08762	1.1
218.99451	1.2
232.00270	1.4
233.00929	59.1
234.01271	2.4
242.99358	6.3
243.99995	1.4
254.07851	3.4
259.71786	0.9
261.00427	51.5
262.00754	3.3
272.08890	2.8
276.99051	1.0
304.99426	100.0
305.06296	4.6
305.19684	1.2
305.99869	6.7
306.07635	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	305.0304
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
56.98561	0.6
58.02983	6.1
59.01372	1.0
66.03458	1.2
70.02966	0.7
72.00900	1.0
72.31952	0.6
74.02480	12.4
81.04609	0.7
82.02968	2.8
84.04545	1.1
86.02488	5.4
86.99089	0.7
87.05649	5.3
89.03977	0.8
89.92128	0.5
90.00172	1.8
91.89896	0.7
92.13558	0.7
96.96017	4.0
97.04073	1.1
97.89123	0.5
98.06091	0.6
98.95603	0.6
99.05655	10.5
101.07201	1.9
102.05594	1.4
106.04234	0.8
109.04107	1.7
111.05646	1.0
112.04057	1.3
113.03630	0.9
116.01737	1.2
117.03475	3.3
121.02969	1.2
123.05647	1.4
125.02448	0.7
125.03564	1.7
127.05138	2.1
128.03555	31.9
129.99609	0.6
130.35358	0.5
131.04654	1.4
133.02975	2.7
135.05656	2.1
137.07214	1.0
138.03249	1.3
141.06688	3.8
143.04633	44.0
145.02980	7.1
145.06216	2.2
146.03618	0.7
146.04683	3.8
149.02409	1.0
153.06691	2.1
160.00732	10.6
161.02463	8.2
162.03191	2.1
163.03989	2.1
165.05486	0.8
166.02704	1.4
166.09850	1.5
167.04646	3.0
167.08276	1.0
169.68040	0.7
171.07703	0.7
173.02437	6.8
175.04050	1.6
176.01149	4.6
176.03491	0.6
177.01901	2.5
177.03398	3.8
177.05630	1.1
179.04689	9.0
181.06143	1.3
184.10829	0.7
185.05652	1.5
189.01945	14.0
190.02695	9.7
191.03381	0.9
193.01431	4.6
193.04974	1.0
197.05678	1.8
198.08939	0.9
201.01921	4.9
203.03525	7.7
205.01389	2.1
205.04997	1.6
206.02168	0.7
210.08844	9.0
217.01453	10.7
218.02046	2.0
219.02979	0.7
221.00911	2.4
221.04562	11.9
222.01674	1.3
222.04857	1.0
229.01398	2.0
231.02988	2.0
233.04485	0.8
234.01817	1.0
242.07692	1.2
245.00935	11.6
246.01479	1.5
248.03221	2.1
249.04062	35.6
250.04366	1.9
254.07855	13.9
261.00241	1.5
272.08878	15.4
273.00430	19.0
274.00873	0.9
277.03555	100.0
278.03885	6.9
288.06647	2.5
305.03064	97.7
306.03409	5.7
306.07669	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	305.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57214	0.4
52.85256	0.5
55.05570	0.5
59.01390	0.7
60.65366	0.4
72.09025	0.5
76.17276	0.5
91.44784	0.4
96.96012	8.5
99.01500	0.4
105.03487	1.1
109.02985	0.5
117.03474	3.6
119.05038	0.8
121.02968	0.9
125.02507	0.4
127.05132	0.6
133.02969	4.2
145.02960	7.7
151.03940	0.5
153.01924	0.5
157.02995	1.2
161.02470	10.6
163.04065	2.4
173.02469	6.9
175.00441	0.5
176.54077	0.5
189.01953	12.3
190.02313	0.5
201.01987	6.3
205.01418	0.5
217.01440	48.5
218.01849	2.5
229.01411	3.6
244.00214	0.8
245.00928	38.2
246.01315	2.2
263.02161	0.5
265.22849	0.5
273.00439	100.0
274.00757	5.9
288.99969	1.0
305.03061	49.6
306.03412	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	305.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87875	0.3
58.45475	0.4
59.01387	3.8
64.32375	0.3
71.01386	0.4
76.72680	0.4
88.75782	0.4
96.96022	10.3
106.04273	1.7
109.02972	0.5
113.82560	0.4
121.02919	0.7
125.02451	0.8
133.02921	0.9
139.00266	0.4
143.04689	0.4
145.02960	0.4
146.03789	0.4
153.01955	0.8
159.14406	0.3
161.02466	1.6
162.03217	0.6
169.01474	1.0
170.18301	0.3
173.02452	1.4
180.39995	0.4
189.01985	3.9
190.02744	17.7
191.03087	1.1
191.13333	0.4
199.07811	0.5
217.01451	20.6
218.02211	19.0
219.02536	1.0
225.11342	2.3
230.06183	0.6
245.00836	0.6
246.01711	100.0
247.02026	6.9
249.03957	0.6
261.04065	31.9
262.04367	1.8
278.00681	0.7
304.99673	0.7
305.03110	4.3
305.07031	6.8
306.06967	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	305.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
60.83711	0.9
67.69274	0.8
79.01898	1.1
83.01396	0.9
96.96004	1.6
109.02928	1.7
113.02091	0.9
118.03429	0.8
118.04262	2.3
122.03744	2.9
124.11626	0.9
125.02453	3.3
132.02193	1.1
134.03711	0.8
137.02463	1.6
139.04094	1.2
145.02960	7.1
146.03760	21.5
149.02454	0.8
150.03244	3.1
153.51585	0.8
158.03754	2.1
159.04269	1.1
161.02477	4.6
163.04030	0.9
165.01976	0.9
172.01683	6.5
173.02409	4.1
174.03244	51.8
175.03604	2.3
177.01830	1.8
178.02763	1.3
185.02473	0.9
189.02019	4.0
189.05600	1.4
190.02679	5.5
200.01166	1.2
201.01964	5.9
202.02736	47.1
203.03169	2.4
205.01463	2.8
217.01378	1.7
217.05156	3.9
218.02235	7.1
234.01648	1.4
245.00891	2.6
246.01720	60.6
247.02066	4.8
261.04062	45.5
262.04355	4.4
271.99634	6.5
287.01993	5.4
290.00711	44.7
291.01004	2.5
294.89352	0.7
299.02905	0.9
305.03076	100.0
305.19711	0.9
306.03430	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	305.034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49717	0.2
57.03452	1.3
59.01375	0.9
61.43233	0.3
65.59666	0.2
69.03458	0.3
71.01373	0.5
71.27328	0.4
74.02486	0.5
79.95747	1.1
81.03463	1.0
83.01403	0.9
85.02946	0.4
88.63141	0.2
89.02467	0.3
93.03456	0.7
95.01411	0.6
95.05034	0.7
96.96021	100.0
97.02960	0.9
97.06641	0.3
98.95620	0.6
99.00923	0.2
101.02444	0.5
109.02963	2.7
111.04557	0.8
121.02957	0.9
123.00912	1.2
124.01652	1.1
125.02459	18.9
126.02760	0.6
135.04587	0.4
137.02454	5.6
139.04034	4.5
143.07121	0.6
143.33099	0.3
147.04575	0.3
149.02423	0.3
149.06010	0.4
151.03983	0.3
161.02419	0.6
164.01140	1.7
165.01944	4.4
165.05530	1.0
167.03493	3.4
175.03961	0.3
177.01993	0.4
177.05556	0.7
179.03496	4.4
180.03918	0.4
180.94865	0.2
191.07230	0.5
199.04440	0.3
203.03561	0.7
204.04315	0.5
219.06622	2.5
219.11208	0.3
220.07274	0.3
221.04572	1.6
225.07767	0.5
243.06656	0.3
253.98141	0.3
260.02435	0.3
261.07550	1.2
287.05615	0.3
305.03375	8.2
305.06723	10.2
305.12347	0.6
305.15488	1.1
306.03778	0.5
306.07095	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	305.0671
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
55.03232	0.6
56.25581	0.7
56.59915	0.6
57.03457	9.3
59.01381	0.8
59.29296	0.7
67.01951	0.8
69.03482	1.3
69.28515	4.6
71.01390	1.8
80.02677	1.3
80.49352	0.8
81.03466	3.6
83.01395	3.9
87.00880	4.6
93.03490	1.1
95.01392	2.9
95.05031	3.4
96.96027	5.6
97.02951	4.1
107.05038	1.6
109.02959	16.3
111.04543	4.2
115.00394	6.4
121.02989	2.3
123.00898	6.8
123.04553	2.2
124.01667	4.8
125.02463	100.0
126.02834	2.5
133.01442	15.9
133.06638	1.7
135.04552	2.6
137.02461	28.7
138.03258	2.4
139.04031	21.7
140.04387	0.9
147.04527	1.6
149.02435	1.1
149.06047	1.6
151.04036	2.8
159.04559	2.0
161.02411	4.3
162.03275	1.1
164.01144	6.4
165.00529	1.4
165.01941	22.4
166.02605	1.5
167.03508	20.8
168.03862	0.8
173.06111	1.5
175.03992	3.1
176.04787	1.3
177.01945	1.9
177.05557	4.7
178.02673	1.2
179.03523	23.5
180.04059	1.0
181.05098	1.1
191.07138	2.7
193.04958	1.0
200.89522	1.5
201.05600	2.1
203.03494	5.0
204.04300	3.0
212.89647	0.7
218.05898	0.9
219.06651	18.4
221.04558	8.6
228.97606	1.6
237.07837	1.5
243.06639	2.1
261.07669	6.8
287.05673	1.4
305.06693	58.4
306.07074	5.8
316.68552	0.7
324.15500	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	305.0669
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
57.03228	0.8
57.03452	9.2
58.02958	0.9
59.01389	1.6
62.04387	0.7
65.56647	0.7
67.01875	0.9
69.03455	1.9
71.01353	2.1
71.27677	1.2
74.02477	2.5
80.02685	1.0
81.03472	3.7
83.01384	4.3
86.02479	1.2
87.05635	1.7
88.04028	1.2
92.08163	0.8
92.72199	1.0
93.03445	3.9
95.01381	1.9
95.05018	3.4
96.95995	1.5
97.02946	5.7
99.05641	2.2
105.03471	1.4
107.05014	0.9
109.02970	16.4
111.04548	3.7
113.06120	0.9
115.00282	1.2
121.02965	5.5
123.00892	8.0
123.04492	2.2
124.01691	4.3
125.02455	100.0
126.02793	2.3
128.03539	5.2
133.03004	4.1
135.04527	2.3
137.02454	29.8
139.04021	23.4
140.04378	1.2
141.06729	1.5
143.04631	7.6
147.04541	1.3
149.02423	4.4
149.06102	2.0
151.04013	3.4
153.01877	0.8
153.06721	0.8
158.03751	1.5
159.00777	0.9
159.04482	2.0
160.00714	1.4
161.02443	7.5
163.35921	0.8
164.01161	7.9
165.01945	20.0
166.02551	1.1
167.03502	22.6
173.06035	1.6
175.03973	3.1
176.01146	1.1
176.04735	1.0
177.01971	7.2
177.05577	4.3
178.02490	1.6
179.03482	19.8
179.04878	1.6
181.05017	1.0
185.05692	1.1
187.00343	1.4
189.01930	2.1
189.07091	1.6
190.05511	1.2
191.03586	1.2
191.07150	1.6
201.05598	1.8
203.03465	4.7
204.04303	2.4
205.01373	6.0
210.08836	1.2
214.99870	3.4
217.01578	1.1
217.05148	1.1
218.05907	1.2
219.06645	14.5
221.04570	8.2
232.00005	0.8
233.00945	9.7
233.08243	0.7
237.07677	1.9
242.99400	1.4
243.06653	1.7
252.34131	0.8
254.07809	1.4
261.00446	8.9
261.07648	6.6
272.08914	2.0
287.05560	1.1
304.99463	18.0
305.06659	51.0
305.99673	1.4
306.07285	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	305.067
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
57.03223	0.6
57.03459	7.2
59.28098	0.6
59.77599	0.5
67.28418	0.5
69.03464	1.4
70.53368	1.5
81.03474	4.0
83.01389	4.1
83.05029	0.6
84.84279	0.5
93.03477	2.0
95.01408	2.4
95.05052	3.8
97.02963	5.7
107.05064	1.4
109.02968	14.3
111.04526	5.0
121.02979	3.4
123.00900	5.6
123.04503	1.4
124.01695	4.9
125.02462	100.0
126.02779	2.2
133.46684	0.8
135.04539	1.2
137.02461	29.4
138.03203	1.8
139.04030	20.5
140.04349	1.0
147.04530	0.9
149.02443	1.6
149.06102	1.6
151.04062	2.4
159.04538	1.3
161.02524	3.4
162.03204	1.0
163.07632	0.6
164.01195	6.7
165.01947	19.1
166.02673	1.7
167.03519	22.2
173.06053	1.6
175.03990	2.9
177.01949	2.4
177.05554	4.6
178.02744	1.1
179.03510	20.0
180.03865	0.9
181.05086	0.8
186.32196	0.6
189.05664	0.7
191.07137	2.5
201.05614	2.1
203.03503	3.7
204.04286	3.1
218.05753	0.7
219.06644	15.1
220.06976	0.7
221.04593	7.6
233.08234	0.6
237.07796	1.4
243.06621	1.9
261.07758	6.9
261.60669	0.6
273.28888	0.7
287.05548	1.3
305.06708	59.8
306.07089	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	305.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.2
58.02973	4.8
59.11211	3.7
71.01398	6.4
71.26138	4.5
74.02488	17.6
74.96428	3.4
81.03493	3.3
82.02975	3.4
83.01403	5.5
86.02506	8.5
87.00905	7.3
95.01398	5.9
97.02952	4.5
97.04127	4.8
97.19162	3.9
97.19788	3.3
99.00919	5.8
99.05664	8.7
102.05627	3.8
108.02173	5.3
109.02982	21.3
111.00891	26.3
113.02492	6.6
115.00333	6.1
121.02999	8.1
123.00923	7.6
123.04523	4.5
125.02460	65.6
128.03558	50.2
133.01494	8.4
135.04506	8.7
137.02443	24.1
138.03194	3.7
139.00383	24.3
139.04048	16.3
141.01968	23.6
143.04649	42.7
145.00885	10.4
146.04581	10.6
146.98825	7.1
149.02469	6.4
151.04025	4.8
153.06740	4.0
155.03545	3.7
156.14481	3.6
159.04395	3.9
160.00830	3.4
163.04074	6.5
163.18300	3.7
164.01241	3.5
165.01961	14.3
167.03526	19.2
175.04048	8.3
177.05565	3.5
179.03473	14.6
179.04810	7.7
188.99875	8.3
189.05357	4.6
191.03516	5.0
200.96150	6.4
210.08951	6.5
217.08592	4.1
219.06569	13.2
221.04601	4.4
232.98830	26.7
241.38365	3.6
243.06607	5.2
254.07802	9.0
261.07843	5.5
272.08984	21.7
287.05679	6.3
304.06158	6.9
305.03183	5.5
305.06680	100.0
306.07272	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59628	0.6
59.01386	35.8
60.35485	0.6
79.95741	2.7
96.96022	100.0
97.06593	1.1
98.22562	1.1
99.96085	0.6
135.08122	0.7
137.02663	0.5
147.08165	1.5
175.93333	0.5
225.11342	20.6
225.13542	1.1
226.11636	0.7
245.85497	0.6
246.39578	0.5
263.80225	0.8
305.07019	68.0
306.07281	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	305.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.2
59.01389	5.9
70.02985	8.7
72.04547	7.1
74.02477	100.0
98.02506	20.9
98.22530	7.7
109.02962	7.0
111.66796	3.4
116.03551	55.0
121.02948	4.3
123.00919	3.3
125.02465	28.6
128.03569	8.3
132.04550	33.6
137.02480	8.7
139.04056	5.1
144.04561	9.3
149.02484	4.1
161.02452	7.6
165.01936	8.9
167.03549	6.0
201.06703	14.1
205.34149	2.9
261.08908	18.8
287.05713	3.8
305.06577	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	305.1398
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
50.08348	0.5
59.01384	0.4
61.98817	1.2
65.00307	1.0
67.01878	0.7
68.99809	1.1
70.02194	2.1
71.01402	0.7
72.99310	1.3
83.01381	1.6
87.00887	0.7
96.99294	0.7
98.21891	0.5
99.00893	1.1
110.00103	2.1
111.00883	11.1
113.76942	0.5
123.00878	1.1
124.01616	4.1
125.02460	15.0
126.02762	0.6
127.00398	5.1
136.98836	8.4
139.00392	11.3
140.01170	19.0
141.01506	0.6
154.99857	1.5
168.00653	26.0
169.01451	15.1
181.01416	0.9
222.65150	0.5
232.97307	0.7
305.13968	100.0
306.14297	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	305.1398
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
54.85960	2.9
61.98819	8.8
62.19196	2.8
71.26353	6.5
84.45281	2.6
125.02470	16.9
136.98674	3.0
139.00450	4.5
140.01129	6.8
144.87276	3.6
146.86755	2.6
162.91197	3.4
168.00682	3.4
169.01472	21.9
249.28331	3.1
305.08261	7.9
305.13962	100.0
305.17487	8.0
305.21182	7.7
306.14203	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
56.04224	1.8
59.01377	5.1
71.05032	31.8
80.02665	1.8
81.03471	3.5
89.00308	2.1
95.05029	15.3
98.22612	3.6
106.04222	2.1
109.06612	12.7
121.06593	4.6
127.07639	1.8
147.04494	1.8
147.08237	2.8
148.23091	1.7
150.06891	2.4
154.65327	1.8
160.98778	3.6
165.09225	9.9
189.12843	11.8
205.16000	11.5
229.15996	5.9
232.97212	4.0
233.11894	6.2
243.17545	7.3
249.15009	10.2
261.18552	3.9
262.73547	1.8
263.16669	2.5
269.15521	2.9
287.16562	63.7
288.16864	5.5
305.17621	100.0
306.18045	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	306.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	12.2
60.37109	1.9
70.02969	2.9
71.27201	1.9
71.69316	1.6
72.00919	2.3
74.02482	28.0
81.04569	1.8
82.02988	4.4
84.04573	1.7
86.02487	13.2
86.99106	2.2
87.05652	8.0
90.00199	2.5
97.04086	3.5
99.05650	20.1
101.07198	3.3
102.05622	3.4
103.04958	1.7
109.04090	2.5
111.05670	2.2
112.04024	1.6
124.04091	2.0
127.05167	2.3
128.03548	67.1
129.03902	2.1
131.04672	1.9
133.01447	3.1
134.01791	1.8
135.05641	5.4
141.06717	6.1
143.04634	100.0
145.06178	4.2
146.04607	8.5
153.06709	6.2
160.00752	25.6
166.09895	3.4
167.04617	5.6
167.08226	2.7
177.03424	8.9
179.04646	20.6
181.06259	3.9
185.05661	3.0
197.05690	4.6
210.08846	19.5
228.09552	2.4
242.07767	2.7
254.07870	23.8
272.08899	32.0
272.33545	2.2
288.06647	6.0
306.07706	37.9
307.07925	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	306.0766
Annotation	Glutathione
Peak:m/z	Relative Intensity
54.25026	1.7
57.76460	1.9
57.85902	1.8
58.02982	16.5
63.15697	1.5
64.07994	1.5
67.22890	1.8
70.02992	2.2
70.89713	2.6
72.00909	2.6
74.02482	30.3
82.03003	4.7
84.04545	2.0
86.02489	13.8
86.06098	2.0
87.05631	13.8
88.04073	2.0
90.00191	4.5
94.28780	1.5
97.04092	4.3
99.05653	28.2
101.07238	3.8
102.05630	4.0
109.04089	3.7
111.05708	2.2
112.04048	4.9
116.01735	1.9
123.05656	3.5
124.04077	2.2
125.03624	2.7
127.05132	4.5
128.03551	77.0
131.04654	2.0
135.05688	6.2
141.06717	9.5
143.04637	100.0
144.01230	2.1
144.04985	1.7
145.06174	4.5
146.04616	9.5
153.06726	6.5
155.08301	1.9
160.00755	25.6
166.09813	3.8
167.04613	7.8
167.08354	2.2
171.07690	2.1
171.16574	1.5
177.03392	7.3
179.04643	24.4
181.06209	2.7
185.05690	4.3
197.05798	2.0
210.08839	21.2
218.93710	1.5
219.96352	1.8
228.09897	1.7
242.07874	3.7
254.07849	24.5
255.08160	3.0
272.08890	27.2
273.09222	1.8
288.06644	5.5
295.54242	1.6
306.07687	33.3
307.07843	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	307.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27848	0.9
59.01371	1.7
62.74598	1.2
63.94585	0.9
65.10441	0.9
69.06770	6.8
69.07169	2.0
74.02464	1.1
75.35107	0.9
78.30573	0.9
86.25248	0.8
87.05655	0.8
89.03965	1.6
93.03466	1.9
94.40951	0.9
107.05044	1.2
117.03527	4.5
119.05044	1.6
121.02958	2.1
123.00913	1.2
125.02471	2.7
127.04092	1.1
127.05072	1.1
128.03569	4.1
129.03883	1.4
133.02950	4.5
135.04544	4.2
137.02449	2.0
143.04657	4.2
144.04933	3.2
144.94490	1.4
145.02956	8.3
147.04543	1.6
149.02440	4.0
161.01151	1.8
161.02448	13.6
163.00377	2.6
163.04030	4.2
165.01920	2.5
165.96361	0.9
169.01361	1.2
173.02449	6.4
175.03998	2.0
177.01932	30.3
178.02283	2.4
189.01933	20.8
190.02553	2.0
191.03539	14.9
193.01300	1.1
193.47150	0.9
201.01898	1.3
205.01430	39.3
206.01788	2.2
206.99359	1.5
207.02983	3.2
209.00961	3.5
211.09164	1.2
216.56714	1.1
217.01414	9.3
219.02998	5.3
233.00908	40.7
234.01271	2.1
235.02527	7.7
245.00938	6.1
255.08218	1.6
261.00412	31.2
262.00812	1.3
263.02029	9.9
273.09192	1.9
288.99908	100.0
290.00330	7.0
307.00897	5.6
307.04050	0.9
307.07935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73601	0.6
58.02982	3.6
65.00322	1.4
67.01913	0.8
74.02477	0.6
77.03960	1.3
78.87056	0.5
81.20882	0.5
85.02940	1.1
87.00904	0.7
89.03997	0.8
91.05512	5.1
93.03479	2.1
95.01423	0.7
101.03969	1.9
101.07236	1.1
102.04894	0.9
102.05612	8.2
103.05547	0.8
105.03493	0.8
107.05045	2.3
109.02951	0.7
117.03468	3.8
119.05050	13.1
120.05378	0.7
121.02959	1.3
123.04592	0.7
125.07185	3.5
127.05190	3.5
128.03548	13.0
129.03453	0.9
130.04236	0.9
131.05113	1.0
132.02185	3.2
133.02988	3.8
134.03668	0.7
135.04536	18.5
137.02571	0.7
137.06131	0.7
143.08264	1.6
144.63852	0.6
145.02980	14.7
146.03629	2.1
146.04630	18.7
147.04539	15.1
147.05624	0.4
148.01656	1.7
148.04889	0.9
149.02477	0.9
152.03621	0.6
157.02962	1.0
160.01645	2.0
161.02452	12.6
163.04015	10.1
164.01045	0.6
164.04297	0.8
165.01961	1.3
169.01440	1.2
172.02554	1.5
173.02446	11.4
174.03244	4.7
175.04007	40.1
176.01105	3.0
176.04349	1.3
177.01918	0.9
179.03506	4.7
189.01991	2.3
190.02721	7.4
190.73062	0.6
191.03514	43.3
192.03885	2.2
193.01392	1.3
201.01952	3.1
203.03586	0.7
204.00679	2.4
209.00980	1.4
209.71338	0.6
217.01410	1.2
219.02995	100.0
220.03305	5.2
229.42082	0.6
235.02499	1.1
245.00911	5.9
247.10921	4.2
263.01971	35.7
263.14032	0.6
264.02344	1.8
265.11908	1.9
275.01871	0.6
288.99905	2.3
289.02917	0.7
307.00989	62.3
307.04285	2.4
307.12924	7.4
308.01266	3.2
308.07697	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	307.01
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71883	1.2
58.02985	7.1
59.01406	1.5
77.09650	1.1
93.03474	1.8
101.02571	1.5
101.07225	2.6
104.89057	1.1
109.02886	1.4
119.05029	4.5
121.02928	2.9
125.02479	1.5
125.07255	7.6
127.05157	7.9
133.67448	1.2
135.04550	3.8
137.02461	2.6
143.08293	2.3
144.94604	1.5
145.02946	1.8
149.02470	5.9
161.02451	1.8
163.04044	2.8
164.01297	1.5
165.01935	5.7
177.01968	1.5
179.03365	1.2
189.01978	3.9
191.03539	5.9
192.00676	8.7
193.01434	32.3
193.03188	1.9
194.01845	1.3
207.03075	1.7
217.01442	4.4
219.03020	2.4
221.00940	2.2
221.13046	2.1
235.02495	31.6
245.00900	3.5
247.10861	11.7
263.02002	100.0
263.13986	1.4
264.02289	4.2
265.11948	4.6
307.00961	20.0
307.13016	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	307.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
65.00333	1.9
67.01890	0.9
71.01385	0.9
71.26583	1.1
72.26292	0.6
77.03976	1.1
89.03970	1.5
91.05546	5.2
93.03474	2.5
93.44303	0.7
96.96029	2.5
98.95607	1.4
101.03963	1.4
102.05604	1.1
103.05528	1.4
107.05038	2.7
109.03008	0.9
117.03503	3.1
119.05035	13.2
121.02975	1.1
125.02446	0.6
127.07623	0.6
128.03548	2.0
129.03447	1.5
130.04272	0.8
132.02185	2.7
133.02963	2.5
135.04541	9.7
136.66328	0.7
137.06068	1.5
145.02969	16.7
146.03708	2.5
146.04613	2.3
147.04546	15.5
148.01688	1.9
149.02438	0.8
155.03474	0.6
157.02901	1.1
160.01662	1.9
161.02429	4.6
163.04010	9.9
173.02467	11.2
174.03230	5.3
174.61658	0.7
175.04025	42.3
175.71440	0.6
176.01186	3.5
176.04385	2.1
187.03976	0.7
189.01935	2.4
190.02751	7.7
191.03522	48.6
192.03841	2.2
201.01955	2.8
203.03638	0.7
204.00716	3.2
204.06633	0.6
217.01413	0.8
218.02202	0.7
219.03004	100.0
220.03334	5.6
235.02501	0.8
245.00958	5.0
263.01999	37.5
264.02429	2.0
288.99905	1.6
289.03516	0.7
307.00992	62.2
308.01395	3.9
308.07782	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	307.0462
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
58.02731	0.5
58.02983	6.4
58.06619	0.4
59.01371	1.5
67.01886	0.5
69.03451	0.5
70.94626	0.4
71.01366	1.0
74.02470	0.6
84.04535	1.2
85.02979	1.1
89.02453	0.8
93.03466	1.5
95.01371	0.9
97.02991	0.7
99.48371	0.4
101.02447	0.6
101.03996	1.3
101.07212	1.8
103.05566	0.4
107.05042	1.4
109.02948	1.6
109.04079	0.8
111.48429	0.5
117.03434	0.7
117.07124	0.9
119.05045	5.1
121.03001	0.7
123.00911	1.2
124.01676	1.3
125.02474	6.9
125.07224	6.6
127.05131	5.9
128.03545	2.3
129.07106	3.0
130.04224	0.8
131.05040	1.2
133.02940	0.7
135.04549	3.4
137.02457	1.0
143.04991	0.8
143.08299	3.3
145.02966	2.1
145.06612	2.4
146.04594	1.3
147.04553	3.2
149.02455	0.7
155.05074	1.8
156.05797	1.6
157.05370	0.9
157.06607	13.5
158.03732	0.7
159.04523	1.9
161.02443	1.4
161.06073	1.3
162.97572	0.4
163.03964	2.2
164.01129	0.8
171.04521	2.2
173.02454	1.0
173.06090	7.0
174.03156	0.9
175.04063	4.4
177.01923	1.2
177.05682	0.6
178.08766	0.8
179.03516	1.8
183.04507	1.9
185.02376	1.0
187.04008	1.0
189.01997	1.5
189.05562	0.7
190.02736	5.2
191.03552	3.8
192.00584	0.9
200.04747	1.2
201.02086	0.9
201.05592	19.7
202.05899	0.8
203.03520	9.0
204.03987	1.2
205.01555	0.5
206.02196	0.8
207.03062	1.3
217.01399	1.7
217.05019	3.4
219.03006	9.3
220.03554	0.6
221.12915	2.3
227.03494	0.5
235.02513	5.0
235.06097	1.1
245.00992	2.7
245.04590	1.4
247.10931	9.8
248.11078	0.5
263.02026	3.6
263.05603	21.3
263.14041	2.0
264.05957	1.5
265.11975	4.9
288.99866	0.5
307.04617	100.0
307.12878	13.5
308.04938	7.3
308.08316	0.7
308.13275	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	307.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.3
59.01366	0.6
69.03478	0.5
71.01369	0.7
80.77139	0.4
81.03450	0.6
83.05042	0.5
84.04549	0.5
85.02966	0.8
89.02397	0.4
93.03467	1.5
95.01405	0.9
101.03974	1.0
107.05026	1.1
109.02959	1.7
111.00877	0.6
117.07092	0.8
119.05029	3.1
121.02956	0.6
123.00909	1.0
124.01686	1.5
125.02464	6.1
125.07229	2.7
127.05097	2.9
128.03549	1.5
129.07089	3.1
130.04297	0.5
131.05026	1.4
133.02953	0.9
135.04530	1.4
137.02362	0.5
139.39571	0.5
143.05028	1.0
143.08272	1.6
145.02985	0.5
145.06586	3.0
146.04588	1.5
147.04521	3.0
155.05031	1.7
156.05835	1.7
157.06604	12.5
158.03731	0.6
158.06891	0.9
159.04546	2.3
161.02441	1.0
161.06088	1.1
163.03992	1.7
164.01086	0.5
171.04482	1.3
173.06071	6.5
174.03275	1.3
175.04021	4.4
176.47662	0.4
177.01959	1.7
179.03496	0.6
183.04529	1.5
185.02426	1.2
187.04056	0.9
189.01859	0.6
189.05481	0.5
190.02728	5.8
191.03526	2.8
192.04213	0.4
199.04024	0.6
200.04723	0.9
201.01881	0.9
201.05592	19.9
202.05934	1.3
203.03511	9.8
204.04024	1.0
207.02975	0.4
217.01387	1.3
217.05061	2.8
219.02982	5.7
220.03516	0.5
221.12938	1.0
227.03491	1.0
235.02495	2.0
235.06108	0.8
245.00937	1.9
245.04483	1.2
247.10941	2.9
253.99409	0.4
263.02054	1.5
263.05618	21.5
263.13806	0.8
264.05948	2.0
265.11954	1.5
307.04608	100.0
307.12637	5.9
308.04974	7.0
316.88980	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78962	0.3
55.13658	0.2
56.48643	0.2
58.84520	0.2
59.96739	0.3
63.42017	0.4
70.59424	0.6
70.97170	0.2
74.99075	7.8
75.96233	0.4
86.13052	0.2
90.31862	0.2
91.02222	2.6
93.00145	2.3
108.35676	0.3
110.92532	0.3
116.78673	0.2
143.05470	0.4
147.01027	0.3
149.00945	2.8
159.08473	7.4
160.08545	0.3
161.06409	2.1
163.00346	0.3
192.98146	0.7
206.99699	1.5
209.01326	2.4
217.07239	0.8
223.02847	50.9
224.02884	4.2
225.00748	0.6
241.03934	0.6
275.06015	0.6
289.07626	1.5
291.09119	100.0
292.09229	10.1
307.12299	2.3
309.10095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58888	0.3
53.80065	0.3
55.93830	0.3
59.96718	0.5
61.95587	0.3
63.41991	0.4
65.87802	0.3
70.59565	0.9
74.99079	5.8
74.99483	0.4
80.92144	0.3
82.95638	0.3
91.02213	2.3
93.00139	2.5
143.05318	0.6
149.00940	2.6
159.08481	6.3
161.06421	1.6
192.98174	0.6
206.99721	1.8
207.01407	0.3
209.01276	3.0
210.01295	0.5
217.07219	0.8
223.02844	47.9
224.02850	3.6
225.00862	0.4
241.03894	0.5
275.06149	0.6
289.07642	2.4
291.09113	100.0
292.09232	10.1
307.12186	2.4
309.10031	1.4
315.21194	0.4
315.44919	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	307.1302
Annotation	PP242
Peak:m/z	Relative Intensity
50.97753	0.9
56.84756	0.8
58.02980	47.9
59.01385	1.7
60.16804	0.9
67.02994	1.1
70.02959	0.8
74.02463	4.7
79.31805	0.8
82.02994	1.6
83.06171	1.2
84.01724	0.8
84.04558	9.2
93.03476	2.4
98.06139	1.1
101.07226	18.2
106.04253	1.5
107.02526	1.0
107.05060	1.6
109.04091	6.9
111.00848	0.9
119.05033	24.5
119.90426	0.9
120.05404	1.1
125.02472	2.4
125.07224	55.5
126.05630	2.5
126.07530	1.8
127.05151	44.8
128.03552	14.7
135.04536	1.0
136.07704	2.0
143.08281	24.0
145.06581	1.0
157.06595	2.6
163.04021	1.5
169.01385	1.1
173.06183	1.1
175.03960	1.7
177.01910	1.1
178.08733	3.1
179.03546	1.9
193.01602	1.0
201.05568	4.0
204.10249	1.6
207.03032	3.1
219.03065	5.7
219.11391	1.3
221.11014	1.4
221.12990	18.7
228.81668	1.3
233.00989	0.9
235.02417	1.1
247.10892	67.2
248.11142	3.6
263.01755	1.3
263.05667	3.4
263.11389	1.3
263.14020	14.8
264.14206	1.2
265.09100	1.9
265.11951	37.4
266.12112	1.8
288.99896	2.5
289.12027	1.3
300.37021	1.0
307.01248	2.3
307.04810	14.2
307.13025	100.0
308.05029	1.7
308.13287	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	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.96319	0.7
53.49725	0.6
55.01884	1.0
55.05946	0.6
57.03464	1.4
58.00597	2.1
59.01385	43.2
71.01390	23.7
71.10028	0.8
72.99310	1.8
73.02949	2.2
83.01391	2.7
83.69036	0.6
85.02957	5.7
87.00883	2.9
89.02454	22.2
95.01402	2.1
96.96027	2.6
99.08168	24.6
99.44192	0.8
101.02451	17.7
111.00859	0.8
113.02464	8.5
119.03513	10.5
119.84736	0.7
125.02428	1.8
127.07694	3.3
129.09242	2.2
137.02504	0.6
141.09221	2.1
143.03490	0.8
145.08722	72.0
145.92610	0.7
146.09065	2.7
165.73940	0.6
187.09840	2.2
196.87033	0.7
208.24963	0.7
266.81250	0.7
299.99078	0.7
307.08316	2.5
307.14017	100.0
307.53265	0.7
308.14383	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	307.1917
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.08003	4.4
54.40360	4.3
57.03444	7.8
59.01385	5.2
59.88115	5.2
65.03969	76.2
69.00765	57.8
71.05024	43.7
83.04980	6.0
84.71461	5.0
85.61649	5.6
87.89108	5.7
97.06606	61.2
104.95784	5.2
119.08645	8.7
121.06605	100.0
125.06060	6.1
125.09728	52.8
137.05995	4.7
185.11833	78.7
209.11900	34.7
211.13420	34.7
229.12405	5.7
235.13393	83.5
265.79510	4.8
289.18234	39.0
307.19095	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42482	7.4
50.67041	7.0
57.03415	9.8
57.51508	7.1
59.01367	11.0
61.98821	18.4
70.15659	8.4
70.64763	18.1
77.27375	7.3
85.37740	6.9
97.06622	19.4
124.35651	7.4
137.99594	22.6
155.10730	15.5
158.57808	8.4
165.12849	15.8
178.53082	7.3
181.12395	13.3
185.11786	13.4
195.17569	38.0
209.11865	28.2
217.90906	7.3
245.19029	16.0
249.17796	6.9
251.16585	32.0
263.20117	7.9
279.16089	100.0
280.16531	9.6
289.18100	22.1
307.15704	13.0
307.18945	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.192
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
59.01378	10.7
61.98838	9.0
71.25743	13.1
71.54157	6.6
91.71053	6.7
97.01424	7.5
106.65107	7.2
125.09725	8.1
137.89738	7.2
142.38173	7.6
165.24771	7.8
185.11888	8.9
188.84271	6.7
191.14471	15.4
225.11292	9.0
245.19167	25.4
264.29849	7.1
289.18082	100.0
306.53693	8.0
307.19223	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.7
57.74411	3.3
59.01382	7.3
61.98830	8.0
70.71516	8.8
80.02667	4.0
81.03466	8.1
83.01419	6.7
83.05016	5.0
92.98115	3.1
93.60305	3.5
96.96033	3.3
97.02955	6.3
97.06580	7.6
116.30482	2.9
121.06613	3.5
123.04527	6.2
123.08149	6.1
125.09716	17.9
126.85203	3.4
137.09738	10.2
149.06107	4.9
163.11319	21.9
181.12347	7.9
185.11870	23.1
191.14417	19.7
207.10271	9.6
209.11826	34.3
225.11284	10.1
245.19154	35.8
246.19568	5.2
271.16980	4.2
289.18143	100.0
290.18524	8.6
307.19205	54.4
308.19208	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	307.192
Annotation	5-O-Methylembelin
Peak:m/z	Relative Intensity
70.76845	0.9
71.24870	1.1
71.92344	0.9
73.50147	1.0
75.37720	0.9
76.09473	0.9
95.43724	1.1
101.50980	0.9
109.02963	3.8
125.02428	4.0
137.02423	2.6
138.03255	9.4
142.02740	3.0
165.01901	1.2
166.02718	3.4
179.03557	1.2
180.04277	2.8
198.01685	4.2
279.19724	10.7
307.00974	1.0
307.19193	100.0
307.22296	3.7
308.19528	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	307.192
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
56.74369	10.6
59.01382	12.0
59.71421	9.9
61.98817	18.3
70.01382	29.4
70.01769	24.9
79.49207	11.1
82.34122	11.4
97.06583	12.6
101.39074	11.2
151.11331	14.4
152.06870	11.5
155.10786	20.0
163.75969	10.3
165.12860	24.4
181.12334	17.3
201.34149	11.7
209.11832	36.7
245.19167	42.0
289.18109	48.5
307.15884	17.3
307.19138	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	308.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24724	1.5
51.27530	1.4
58.02977	1.8
69.53569	8.0
71.01384	22.1
84.04551	2.9
88.04035	5.0
108.02174	4.4
114.01986	49.1
115.00389	42.9
117.03490	4.5
123.04530	7.1
125.02416	2.3
128.03581	2.3
132.02126	2.4
132.03036	20.7
134.03754	100.0
135.04402	1.6
136.05289	1.9
139.89647	1.7
143.04608	3.9
149.06091	71.0
150.06415	2.0
151.06009	1.5
160.01663	5.9
161.02396	2.6
161.04811	2.5
162.00394	1.7
162.03215	6.5
162.05594	1.9
169.01431	1.8
169.12041	1.5
174.95102	1.6
175.04027	10.7
176.03508	1.7
176.07169	2.7
177.04196	2.6
177.05565	6.7
177.07936	2.6
187.06369	4.1
192.05000	3.0
192.06679	41.6
193.05089	43.2
193.06863	2.0
194.05379	2.2
220.09813	3.4
221.04590	2.4
246.07727	12.5
247.02766	1.6
249.89529	1.3
264.08786	12.7
290.00400	1.4
308.07779	85.0
309.08063	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	308.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.38908	0.3
63.73983	0.4
65.14652	0.3
70.02989	0.4
71.01395	5.3
72.00899	0.8
85.02964	0.9
88.04052	29.1
98.22611	0.8
114.01966	4.1
115.00383	11.3
132.03044	100.0
133.03395	1.8
134.03764	10.8
135.04497	0.5
149.06093	4.1
149.90271	0.4
160.01671	2.0
160.56386	0.4
161.02428	0.4
175.04039	1.7
192.06718	0.6
193.05112	3.1
228.75989	0.4
264.08731	1.4
290.06927	0.6
308.07800	6.5
313.47278	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	308.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58318	0.6
70.37856	1.9
72.81528	0.6
80.03489	0.5
85.02947	1.9
100.04050	0.8
102.05619	39.5
103.05978	0.8
109.03008	0.9
110.52309	0.6
119.90581	0.6
128.03554	51.5
129.03911	1.0
133.02965	7.0
134.03745	0.8
135.04546	36.4
136.04849	1.7
137.90733	0.6
138.21027	0.5
146.04608	100.0
147.04942	2.2
161.02461	36.1
162.02806	1.1
163.04153	0.6
165.80978	0.5
172.02544	6.9
179.03520	4.0
220.09944	0.9
246.07822	1.2
260.01492	0.7
264.08673	1.1
290.06732	1.4
308.07767	14.2
309.07959	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	308.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76225	0.7
58.58955	0.8
60.60754	0.9
65.78502	0.7
69.10946	3.8
69.11366	3.4
75.89896	0.8
80.75707	0.8
82.02979	0.8
85.02962	2.6
90.65535	0.8
98.21818	1.9
102.05618	35.7
103.05972	0.9
119.05010	1.7
119.58792	0.9
125.02463	5.3
128.03558	56.4
129.01955	1.2
129.03885	1.8
133.02992	6.7
134.03780	1.5
135.04539	37.3
136.04861	1.4
146.04611	100.0
147.04961	2.7
161.02463	33.9
162.02803	1.7
163.04041	1.5
172.02583	7.6
179.03557	3.8
221.04491	1.2
226.41257	0.9
246.07840	0.8
264.08725	1.4
265.03531	3.9
290.06882	1.6
308.04898	2.7
308.07828	13.2
309.02567	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	308.1871
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
58.02971	1.1
65.63380	0.2
66.74709	0.2
67.23536	0.2
70.63267	0.2
81.03476	0.3
82.86665	0.2
95.05035	0.6
97.06598	0.4
98.21731	0.6
98.22401	1.1
114.09258	6.8
116.07188	100.0
117.06901	0.2
117.07563	1.8
121.02960	0.3
123.18613	0.2
139.56990	0.2
150.95049	0.3
158.08331	0.4
165.12828	0.7
206.47896	0.3
291.19638	1.0
303.98129	0.3
308.18695	25.7
309.19122	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	308.9786
Annotation	D-Ribose 1,5-bisphosphate
Peak:m/z	Relative Intensity
59.01390	1.2
62.96432	0.3
69.53515	1.4
69.53899	0.6
71.01382	2.2
75.00882	1.3
78.95912	100.0
81.61296	0.2
85.02950	1.8
87.00877	0.7
95.95267	0.9
96.96970	33.3
98.95676	0.3
101.02474	0.3
106.27650	0.3
113.02486	1.3
134.91623	25.9
138.98044	0.8
150.98044	2.4
152.92657	0.3
158.92554	12.6
161.85339	0.3
176.70502	0.2
176.93619	5.3
192.97438	0.5
192.99086	5.4
210.91418	0.3
211.00156	12.1
212.00526	0.6
230.94724	0.3
248.95644	0.7
256.27484	0.3
283.85577	0.3
290.96817	0.4
308.79529	8.2
308.97864	9.5
309.98062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90261	2.2
55.72234	2.5
59.01397	4.8
69.73971	8.6
79.05559	5.0
83.01428	2.1
95.01352	2.2
96.96127	2.7
103.04187	2.7
105.03482	4.4
115.29070	2.5
121.06621	4.4
125.02412	4.2
131.05077	7.5
133.02895	2.6
147.04543	4.9
149.06111	18.8
151.04022	5.1
159.04526	15.2
162.03250	29.4
171.63120	2.3
175.04027	27.5
177.05594	20.8
192.00685	9.2
194.98834	2.3
199.22266	2.7
203.03540	22.8
212.44934	2.5
221.04564	100.0
222.05084	3.6
229.88744	2.2
237.03432	3.0
245.93098	2.5
247.02475	64.5
265.03592	15.1
286.81360	2.4
309.02576	15.0
309.06271	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	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86065	0.5
55.01883	2.4
57.03459	10.0
59.01378	4.8
59.47264	0.4
63.45394	0.5
71.01395	1.8
73.02913	0.8
83.01387	1.2
84.02162	2.1
85.02958	100.0
86.03296	1.7
95.01379	1.2
98.22562	2.0
102.05625	2.3
103.05981	1.2
103.24937	0.5
106.91435	0.6
107.01393	1.3
109.02964	1.1
111.00889	1.1
111.82082	0.6
119.05033	2.0
119.76627	0.5
121.02962	0.7
123.00923	1.6
125.02464	13.4
128.03560	3.2
129.01965	1.4
129.03896	1.7
132.02173	1.5
133.02972	15.6
134.03391	0.6
135.04539	9.2
136.04855	3.1
137.02394	0.6
145.03001	1.0
146.04599	5.4
147.03018	41.6
147.04782	3.8
148.03313	0.7
149.02438	1.1
149.06065	1.1
151.00368	1.4
157.31488	0.5
159.04506	0.5
161.02457	40.4
162.02840	4.3
163.02765	0.7
163.04048	2.9
169.01418	1.6
175.04024	1.7
177.01909	0.9
177.05580	1.2
179.03534	5.7
180.03856	1.0
189.05589	1.1
191.03464	1.1
192.00694	0.9
193.01445	1.8
203.03557	1.3
205.01468	1.2
206.02229	0.7
219.02824	1.0
221.04622	3.5
229.30052	0.6
231.40454	0.5
233.04623	0.9
247.02490	2.1
247.06119	0.9
265.03549	10.6
266.03915	0.9
309.02731	6.2
309.06137	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	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
61.31806	1.1
71.01388	27.3
72.99318	1.2
96.96024	2.2
101.02478	1.3
104.63317	1.2
106.04225	1.6
107.01434	2.0
108.02176	1.5
109.01720	11.9
109.02938	2.2
115.00376	26.3
117.03459	2.8
125.02476	7.5
133.01453	46.2
134.03758	100.0
135.04149	3.8
137.02460	3.3
147.02939	1.2
149.06047	6.5
152.01180	1.7
153.01955	4.1
161.02475	1.4
168.00737	1.4
169.01433	7.7
173.61273	1.1
175.02538	2.5
177.05569	3.1
178.02753	5.9
193.05070	73.8
194.05576	2.5
194.08209	9.8
206.08232	2.5
261.26917	1.2
274.07178	4.8
287.04935	2.4
297.09238	1.6
309.03964	3.4
309.07141	1.4
309.10043	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	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97243	0.8
57.03454	8.2
58.90770	0.8
59.01392	1.1
59.33161	0.8
63.18379	0.9
65.00325	2.9
65.03967	2.2
69.03476	1.1
71.01373	3.4
72.99312	12.3
77.29964	0.7
81.03475	1.7
83.01382	6.1
83.05003	0.8
85.02959	1.9
89.64954	0.7
90.72546	0.7
91.05561	0.9
93.03485	1.3
95.01401	2.2
95.05030	2.0
98.22643	1.8
104.41220	0.8
107.01404	3.1
107.05048	1.8
107.58436	0.9
109.02967	1.6
109.06597	1.5
111.00844	1.1
111.04523	2.2
119.05028	3.1
121.02940	1.9
121.06592	1.1
122.03765	0.9
123.00900	1.9
123.04536	2.1
124.01704	3.8
125.02466	55.4
125.06079	1.2
126.02784	1.8
131.05002	1.1
133.06575	2.5
135.04510	2.1
137.02434	2.2
137.06104	2.2
139.00470	1.0
139.04024	3.0
145.02917	1.3
147.04535	1.3
149.06085	4.7
151.00400	9.1
151.03993	1.8
152.01175	17.5
153.01935	1.9
159.04553	1.1
159.08307	0.8
161.02519	1.3
161.06105	3.3
163.00397	2.0
163.04021	1.7
163.07640	1.1
164.01225	1.2
165.01953	2.5
165.05537	0.9
169.01382	1.5
173.06085	1.0
175.07643	3.1
177.01967	6.5
177.05484	1.3
178.99873	8.3
179.03481	5.1
179.07137	2.7
182.02348	1.2
191.03517	1.4
191.07137	5.4
193.01402	1.0
199.03931	1.1
201.05431	1.3
203.03485	1.7
203.07132	2.4
206.02229	4.3
207.03003	7.8
207.06715	2.8
217.05061	12.6
219.02997	13.6
219.06496	4.7
221.04549	2.7
229.05064	4.1
235.06067	1.4
247.02522	2.1
247.06166	7.8
263.05655	11.8
264.05780	1.3
273.04095	5.3
291.05145	25.0
292.05496	1.3
309.06189	100.0
310.06546	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	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01371	2.4
71.01035	1.8
71.01398	27.3
72.45496	1.4
74.93332	1.4
78.95866	1.7
82.45979	1.5
84.29874	1.5
88.19981	1.4
89.03987	2.2
94.20802	1.3
101.02424	4.6
115.00374	7.0
117.03464	8.1
119.05032	2.9
125.02466	6.9
127.00402	1.8
134.03760	100.0
135.04042	3.7
137.02460	2.6
140.01183	2.3
145.01404	5.5
149.06088	7.9
155.03546	2.7
163.03973	3.2
168.00598	1.6
169.01447	10.0
178.02699	6.9
193.05075	98.1
194.05406	5.4
234.04581	2.0
309.14337	2.4
310.05594	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	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
57.03451	10.1
58.00597	1.2
59.01385	31.3
64.53718	0.4
65.00272	0.4
68.99782	0.5
71.01389	18.3
72.99309	2.6
73.02947	1.9
78.95901	0.9
83.01388	2.4
84.02174	2.2
85.02957	100.0
86.03282	2.0
87.00894	0.8
89.02455	19.9
91.01964	0.4
95.01389	1.3
96.96050	0.4
96.96936	0.5
97.02982	0.4
98.21781	0.8
99.00890	0.8
101.02452	13.5
103.00394	0.8
105.03513	0.5
111.24399	0.3
113.02458	6.9
119.03514	9.8
119.05036	1.2
125.02454	1.1
129.01932	0.8
129.05608	0.6
131.03503	0.4
131.05000	0.5
133.02966	11.9
133.06664	0.5
134.03625	0.5
135.04535	3.2
143.03546	1.2
146.04596	0.7
147.03014	50.4
148.02498	1.1
148.03506	0.7
149.04965	0.5
149.06082	3.6
158.23233	0.4
159.04550	0.9
161.02460	23.3
161.04599	0.6
162.02821	1.2
163.04034	1.3
169.01582	0.4
174.03177	0.5
175.04024	2.1
177.01973	1.4
177.05540	4.7
179.03517	3.2
179.05603	1.0
189.01935	0.4
193.05054	2.7
203.03476	2.6
221.04546	7.9
222.04932	0.5
247.02536	0.7
265.03552	5.1
309.06561	3.6
309.11945	31.2
310.12268	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	309.0982
Annotation	Mellitoxin
Peak:m/z	Relative Intensity
59.01368	1.2
60.94649	0.4
62.69651	0.4
65.00318	0.3
67.01881	1.2
68.99836	0.4
69.03464	1.8
70.46133	0.4
71.01382	1.0
71.27569	0.5
72.99329	0.5
79.01897	1.3
81.03447	1.4
83.01405	0.5
93.03424	0.4
95.01388	2.2
95.20074	0.4
96.96022	1.5
97.02959	2.6
107.01402	10.0
109.06590	0.5
111.00897	2.0
121.02909	0.4
123.00902	19.6
124.01694	1.3
125.02458	81.7
126.02799	2.3
127.07664	2.9
134.71507	0.4
136.98836	1.1
139.00380	7.0
139.07695	2.4
139.08597	0.4
140.01173	3.4
141.01959	2.4
151.00386	25.4
152.00754	0.9
154.99959	0.5
157.08714	26.1
168.00639	0.8
169.01440	64.0
170.01761	2.3
181.01436	0.8
197.95691	0.4
265.10742	0.9
291.08746	5.7
292.08719	0.5
309.09824	100.0
310.10135	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	309.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.6
59.01384	100.0
71.01385	16.3
71.26665	1.0
71.28383	0.8
72.99283	1.1
77.96166	0.8
78.95914	10.1
85.02930	2.2
86.06600	0.7
87.73647	0.9
89.02451	23.1
95.01376	1.0
96.96007	1.2
96.96947	3.3
101.02441	12.1
104.07539	0.8
111.04512	1.0
113.02470	8.7
119.03522	10.4
129.05598	14.2
129.36929	0.9
131.03535	1.2
143.03546	1.3
143.65350	0.8
146.08221	1.1
148.69586	0.8
149.04472	1.0
158.92558	1.5
161.04550	0.9
179.05611	2.8
211.00052	1.2
223.32507	0.9
247.71794	1.0
309.11926	55.0
310.12289	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	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01869	0.9
57.03456	3.2
58.00602	3.1
58.99623	1.8
59.01384	97.6
60.01735	1.3
71.01390	37.4
71.25600	0.9
72.99323	4.7
73.02971	2.0
74.19946	0.7
78.95919	7.0
82.02956	0.9
83.01410	2.8
85.02958	19.7
87.00896	1.8
88.04064	1.1
89.02453	41.8
95.01424	2.4
96.96996	1.7
97.02959	1.2
97.71133	0.7
98.02515	0.9
99.00896	1.1
101.02451	25.6
101.06116	1.5
102.98611	15.8
109.02985	1.1
111.04521	1.2
113.02458	13.8
119.03516	19.8
120.99672	0.9
124.04043	1.0
129.01895	0.8
129.05595	18.7
131.03571	1.5
132.03062	2.4
133.03036	2.2
143.03554	1.2
147.03044	5.2
147.04088	0.7
147.04634	0.6
147.06656	7.5
149.04552	1.2
149.06082	1.0
161.02437	1.8
161.04572	2.5
163.00749	2.1
164.66808	0.7
175.04051	0.8
177.01973	1.1
177.05574	2.1
179.05656	3.2
192.94925	0.8
203.03580	0.9
221.04643	2.4
265.03409	2.0
309.11945	100.0
310.12317	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	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01872	1.6
57.03448	2.3
58.00586	5.0
59.01385	91.6
59.80569	1.2
67.43233	1.1
70.31618	2.2
70.31980	2.3
71.01388	51.7
72.99307	5.0
73.02959	2.5
78.95922	2.8
79.72572	1.1
83.01384	2.2
85.02959	11.2
85.06543	1.3
86.54511	1.2
87.00884	2.5
89.02451	67.3
95.01390	2.8
101.02449	30.0
113.02466	20.6
114.05586	2.0
119.03510	29.8
119.04944	1.4
131.03534	2.6
133.03012	1.4
143.03561	2.6
147.06638	1.5
149.04582	1.8
153.06700	1.5
154.06255	1.4
161.02463	1.4
161.04646	2.1
169.01443	1.5
178.07344	2.3
179.05632	3.1
195.07744	4.8
211.10988	1.8
265.03577	1.5
309.11935	100.0
310.11841	3.6
310.14752	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	309.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01916	0.2
61.98837	0.3
71.29935	0.2
71.30289	0.4
72.16978	0.2
76.72855	0.2
85.72636	0.3
98.22235	0.3
103.34332	0.3
115.81847	0.2
116.92799	0.3
148.05312	42.0
149.05602	1.8
151.03993	0.3
151.07654	0.6
152.08490	0.4
155.12666	0.2
165.05551	1.1
179.01729	8.0
179.53232	0.2
180.04289	100.0
181.04619	4.2
182.04637	0.3
184.85556	0.3
196.02043	0.3
197.02765	0.5
199.89410	0.3
208.68213	0.2
209.15483	0.9
257.15491	0.5
265.17957	0.3
273.13016	0.3
291.19592	0.5
309.14828	3.0
309.20770	0.4
310.15518	0.4
315.45319	0.3
323.20456	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	309.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.6
61.98830	0.7
66.61286	0.5
70.01581	0.8
70.01936	1.9
77.47804	0.7
79.95742	9.9
80.96529	0.9
92.92819	1.0
94.98081	1.0
95.95256	2.5
96.96021	98.8
98.22518	0.7
106.88460	0.5
108.22720	0.6
112.99414	0.6
116.92905	0.7
122.97601	3.5
147.75974	0.6
151.07692	1.8
152.08412	1.0
168.53073	0.7
209.15485	2.0
277.86789	0.6
309.17422	100.0
310.17709	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01368	1.8
61.98833	1.2
63.66008	0.7
70.70496	1.3
71.01395	1.1
83.22878	0.8
92.92794	0.8
109.06598	1.6
111.08174	3.4
116.92888	0.8
121.02961	0.7
125.09737	1.8
127.11327	1.4
137.09752	1.0
149.09763	0.9
151.04018	2.4
151.07626	3.0
151.11269	1.2
152.08420	2.3
153.09207	1.5
153.12851	6.6
155.10800	1.3
165.12769	0.9
167.10774	2.0
169.12340	1.6
171.10254	1.0
179.14386	1.9
181.12376	4.8
193.16022	0.7
197.11899	3.4
199.13408	1.3
207.13918	4.0
209.15471	4.8
215.12848	1.4
227.12955	2.1
228.13554	1.0
247.20699	6.0
265.21545	1.0
267.10327	0.7
273.18558	2.8
281.21182	1.8
291.19693	44.2
292.20023	2.8
309.17325	7.0
309.20709	100.0
310.21008	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01381	1.3
59.26095	1.2
68.94756	14.8
76.35838	1.3
97.06594	7.3
107.15974	1.3
111.08171	5.4
113.13464	1.1
123.08196	1.6
125.09721	1.7
127.11234	2.3
151.04082	1.3
151.07661	2.6
152.08429	2.3
153.12863	8.3
155.10815	3.2
158.40591	1.3
165.12885	2.3
167.10704	1.2
177.58704	1.3
179.14407	4.3
181.12355	5.9
183.12376	2.3
183.13937	30.0
197.11835	7.0
199.08412	1.2
199.13412	2.3
207.13895	3.2
209.15492	2.4
211.13451	17.8
212.13797	1.9
215.12822	3.2
227.12798	1.8
228.13580	2.0
235.71033	1.3
242.79463	1.3
247.20671	7.2
265.21594	1.7
272.91269	1.3
273.18619	4.5
281.21246	2.7
291.19702	49.3
291.22949	2.8
292.20038	4.3
309.17349	6.0
309.20737	100.0
310.21133	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
70.88976	3.7
77.68202	1.9
83.49898	1.9
86.41499	1.9
96.96051	2.8
111.08157	2.5
114.47486	1.8
116.92830	2.0
121.10250	7.4
125.09731	8.7
132.54321	2.0
137.09700	3.2
137.36314	1.9
158.02126	2.0
171.10275	6.1
173.74928	1.8
185.11845	7.4
195.13907	5.4
197.11794	4.5
209.11821	2.6
211.13422	57.5
212.13824	2.0
264.06442	2.2
273.18851	2.6
291.19690	100.0
292.20078	6.0
309.17191	2.4
309.20697	31.3
310.21161	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.3
59.01375	2.4
61.90736	1.0
61.98825	2.9
69.03490	1.3
71.28609	2.1
83.59239	1.1
84.86652	0.9
99.00858	1.4
109.06584	2.3
111.08174	30.7
112.08486	2.0
120.82887	1.0
127.00383	7.3
127.07641	1.8
137.09669	1.6
151.04025	3.7
151.07668	6.9
151.11292	1.1
152.08461	5.7
152.91768	1.8
153.09129	1.1
153.12872	2.6
169.12358	6.7
171.10297	2.8
181.12372	2.0
183.14005	1.8
184.07526	1.3
195.13554	1.0
197.11853	100.0
198.12163	5.3
199.13484	5.3
208.11005	1.4
209.15479	9.7
211.13440	10.8
213.18454	1.4
225.67885	1.0
227.12888	2.1
252.10014	2.7
263.20160	7.5
265.18082	4.3
273.18738	1.8
281.17557	1.3
291.19672	19.4
292.20081	1.9
309.17059	21.8
309.20715	32.7
310.17444	2.7
310.21094	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.83413	0.7
59.01353	1.2
63.68121	0.8
81.23315	0.8
83.73230	0.8
93.09335	0.8
97.06599	2.0
105.10565	0.8
113.09715	2.8
115.07678	2.1
126.06857	1.1
128.43185	0.8
141.09184	1.5
146.20987	0.8
151.07634	0.8
165.12816	4.0
167.14365	2.3
175.65201	0.9
181.12383	4.8
183.13942	1.3
193.12318	1.5
195.13972	1.8
211.13361	5.9
221.15501	1.5
240.13678	2.1
247.20595	5.2
265.21753	0.9
273.18619	2.9
281.21167	1.2
291.19675	48.2
292.19977	3.7
309.20731	100.0
310.21024	8.5
322.40698	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38979	4.8
61.98824	8.0
63.55286	4.6
64.59899	4.6
71.04754	9.2
74.83508	4.7
102.68293	5.0
112.16910	5.5
226.84338	4.7
227.59622	5.2
291.19797	39.8
309.20761	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63976	1.5
57.03462	1.7
61.98834	2.7
69.77308	7.8
71.01389	1.9
74.48571	1.6
81.03425	2.2
99.00909	5.5
111.08170	36.7
112.08449	1.7
127.00392	16.5
151.04022	9.3
151.07655	12.4
152.08449	9.7
153.09024	2.1
153.12904	1.8
169.12364	6.4
183.13916	2.1
184.07449	3.3
190.10054	1.9
197.11845	100.0
198.12178	6.5
199.13472	3.0
209.15474	27.4
210.15860	2.5
211.13429	7.5
223.17059	2.1
227.12958	3.8
241.18167	2.6
247.17140	2.1
251.16576	2.0
252.09990	3.2
263.20218	4.1
265.18063	9.7
270.29025	1.7
273.18619	2.1
281.17685	2.3
291.19632	23.0
292.19968	1.7
309.17090	54.4
309.20755	34.9
310.17484	3.6
310.20990	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78354	0.5
55.01870	0.5
57.03439	1.6
62.97218	0.6
63.16023	0.5
68.72030	0.6
69.71649	2.5
71.01382	0.7
74.99791	0.5
78.17063	0.5
81.03438	0.8
83.05007	0.6
84.02183	0.5
95.01390	2.6
98.22496	0.6
99.00891	8.6
99.01878	0.5
100.90831	0.5
107.06268	0.5
110.48213	0.4
111.00876	1.8
111.08150	0.8
119.08667	0.9
123.00893	0.9
123.04523	0.7
123.08187	0.7
125.09740	1.2
137.06088	1.5
137.09706	1.0
141.12851	0.6
148.56136	0.5
151.04021	23.2
151.07649	35.8
152.04448	0.7
152.08444	38.0
153.08853	2.0
153.12830	0.7
162.10521	1.7
163.11244	2.9
165.05522	0.5
165.09196	0.7
165.12872	3.7
171.10265	2.1
175.07593	1.5
179.14426	2.1
180.07909	1.2
181.12352	2.1
184.07436	8.2
190.09998	3.4
193.08701	4.1
193.15965	1.5
195.10484	0.6
195.13901	1.5
197.11853	2.3
207.10364	0.9
208.11041	4.1
209.15471	65.5
210.15819	4.5
219.17601	0.8
221.15489	0.9
223.13408	1.8
236.73309	0.5
247.17036	3.6
247.20667	3.3
249.14833	0.5
252.07565	0.9
252.10071	12.3
253.10410	0.9
263.16534	0.7
265.15292	0.7
265.18069	12.7
266.18423	1.0
273.18509	1.4
291.16122	5.2
291.19629	52.5
292.19946	4.6
309.17059	100.0
309.20712	41.1
310.17380	9.3
310.21069	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81406	3.4
61.90783	3.3
61.98835	12.1
67.01891	3.4
67.20538	3.7
71.04548	8.2
80.02715	7.8
81.03447	5.0
83.05030	25.2
84.02178	13.3
97.06638	5.6
99.08151	7.0
116.92919	4.5
117.32850	3.5
125.09774	4.4
127.11311	4.2
137.09727	51.6
139.11299	5.1
148.05307	44.0
151.04027	6.2
151.07668	11.0
152.08417	5.9
152.73691	4.5
152.91801	6.6
153.09261	8.6
155.10794	50.2
157.88551	3.5
167.10735	4.2
171.10291	41.1
179.01683	6.0
179.14525	3.5
180.04311	100.0
181.04608	5.9
193.12376	27.4
209.11855	6.0
209.15388	21.0
211.13567	5.4
228.60258	4.4
247.20708	5.2
263.20422	4.3
265.21808	6.9
291.19705	81.1
292.19946	11.3
309.17099	28.1
309.20786	68.3
310.17291	3.6
310.21106	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	309.2075
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.35162	2.1
57.03443	6.7
59.01369	9.8
59.04166	2.4
66.83099	2.2
69.03474	2.8
69.81734	2.3
70.55415	5.3
83.04997	2.4
106.04206	2.5
107.08672	18.5
119.08672	22.4
125.09687	4.4
129.94646	2.5
130.99583	2.7
152.91779	2.7
171.10284	100.0
185.11884	4.7
195.13896	3.1
197.11774	3.4
206.43457	2.3
217.19553	3.7
221.15498	7.8
229.19644	18.2
232.61177	2.4
239.16484	10.2
261.18582	16.6
273.18591	64.6
274.18982	5.3
279.19766	3.7
291.19684	71.7
292.19962	6.7
309.17059	4.0
309.20700	74.8
310.21173	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39289	1.1
52.55728	1.1
57.03450	10.1
59.01393	5.5
61.98817	1.5
69.03450	2.1
69.71467	2.2
69.71870	3.7
70.13997	1.1
71.05018	6.8
80.53170	1.1
81.03481	1.2
83.05038	4.9
84.32786	1.3
85.06603	6.4
85.66891	1.5
87.04521	2.8
88.30912	1.2
97.06603	3.3
109.06616	5.2
111.04510	3.2
114.96883	1.2
167.10846	1.4
171.10292	1.5
179.10703	1.4
179.14415	4.1
181.12379	1.9
193.12357	1.6
195.13919	24.4
196.14325	1.6
202.04712	1.3
205.12303	2.3
209.15526	1.4
221.15459	24.3
223.13379	13.8
223.16946	1.7
235.16998	1.7
239.16568	6.4
247.20724	3.1
251.16508	4.3
273.18567	4.1
291.19678	73.4
292.19992	6.2
309.20721	100.0
310.21030	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40640	1.6
57.03437	2.9
59.01386	6.1
59.66100	1.6
61.98834	3.1
68.99781	1.8
69.03455	7.4
70.66022	5.1
71.01369	1.9
71.05054	1.8
95.01361	1.9
97.06574	3.0
99.00910	6.4
111.08126	2.5
111.13931	1.7
119.08668	13.3
121.02943	1.8
121.31198	1.9
125.09734	5.9
127.00404	10.5
127.11298	3.0
130.75468	1.9
135.08224	2.7
137.09740	25.2
149.09898	2.0
151.04012	23.3
151.07657	38.2
151.11279	3.9
152.08434	27.3
153.09091	2.0
155.10786	4.0
162.10498	8.7
167.10768	5.6
171.10284	88.6
172.10562	2.8
180.07928	2.7
183.10315	3.2
183.13861	5.5
184.07451	8.0
185.11787	21.6
190.10042	4.5
193.08710	6.0
195.10408	2.3
197.11797	3.6
201.11337	3.9
208.11066	5.1
209.15465	55.3
213.11313	7.0
219.17570	6.7
232.80760	1.8
241.18114	2.4
247.16994	3.6
252.09950	8.5
257.39209	1.9
261.57346	1.7
265.18140	14.7
273.18536	6.6
281.17615	7.4
291.16302	2.9
291.19626	34.3
292.20047	4.2
309.17093	100.0
309.20755	32.7
310.17474	5.2
310.21014	4.1
310.54465	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32135	0.8
59.01381	1.9
69.03454	1.1
69.79099	2.3
78.95926	1.5
80.01033	0.8
83.05048	1.0
95.05009	1.2
98.22504	1.1
113.09742	1.6
115.07645	1.7
126.44978	0.9
151.11331	1.1
158.53606	1.0
159.51579	0.9
165.12929	2.1
179.14395	1.4
181.12347	2.5
193.12354	1.2
195.13866	7.7
205.12315	1.9
209.11884	1.4
211.13420	1.4
223.13393	11.4
247.20639	2.4
256.13193	2.2
261.18436	0.9
261.39517	0.9
273.18512	2.1
279.19748	2.1
281.21130	1.0
291.19696	21.6
292.20114	1.2
309.20737	100.0
310.21036	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	309.2439
Annotation	Marliolide
Peak:m/z	Relative Intensity
56.86185	0.4
58.51095	0.5
67.01883	0.9
70.74350	1.1
70.74691	0.6
86.89339	0.5
87.07761	0.5
96.96002	1.0
99.00910	0.7
109.02984	0.4
120.97969	0.5
125.02518	1.1
126.03288	1.0
139.04047	0.6
151.07640	1.2
152.08427	0.9
158.02228	2.7
209.15465	1.4
218.56308	0.5
247.24394	1.3
309.17252	3.4
309.24380	100.0
310.24683	7.5
312.26080	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	310.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.5
60.01721	1.3
61.47952	1.0
68.99828	40.5
71.01384	2.7
71.25431	1.1
73.02944	1.5
85.02955	2.3
89.02444	2.8
90.02794	1.3
94.03001	1.3
95.01358	1.1
96.96018	3.9
96.99320	26.5
99.00893	2.1
101.02455	1.8
105.47724	1.2
110.02421	1.3
113.02486	1.0
119.03508	1.5
121.01730	9.6
123.03264	2.0
124.01684	2.6
125.02459	2.5
130.05902	1.4
131.08311	1.2
133.01657	1.1
134.02504	4.0
137.01202	1.8
138.02057	1.4
138.03250	5.3
147.03247	1.5
148.04053	1.1
149.01219	52.5
149.02405	6.7
149.06021	1.1
150.01903	4.3
151.02786	9.0
151.64133	0.9
152.01149	1.9
152.03539	12.7
161.01230	1.7
162.01982	8.5
163.02795	1.7
163.53540	1.0
164.03554	54.3
165.03905	2.8
166.05109	7.9
167.03535	1.0
177.00584	2.4
177.05574	1.5
178.01508	5.7
179.02261	8.8
179.07155	9.3
189.00670	1.1
190.01459	12.9
191.02237	4.8
192.03073	4.3
194.04605	4.7
205.05077	8.7
206.00964	1.9
207.01740	12.3
218.00952	11.8
218.29080	1.0
222.04077	21.6
223.04317	1.1
223.06224	1.5
235.01176	2.0
250.03590	52.7
251.03963	2.7
251.11365	1.6
267.04871	1.4
293.03137	3.4
295.03436	1.7
310.05713	100.0
310.12369	6.2
311.06027	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	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	2.0
59.01385	61.9
69.94100	1.8
71.01390	34.9
72.68828	1.4
73.02950	3.9
75.00871	3.1
80.29797	1.6
83.01392	2.3
85.02959	9.8
87.00879	6.0
89.02460	33.2
92.05058	10.4
95.01368	2.6
101.02458	20.6
110.90726	1.7
113.02475	13.1
116.05051	2.2
118.03000	4.6
119.03523	10.3
120.04547	9.0
125.02393	2.6
131.03685	9.4
132.04556	15.4
134.06126	4.3
143.03601	2.0
144.04536	9.7
146.02499	59.4
146.06209	2.8
147.03282	72.4
148.04068	18.1
158.06105	3.4
160.04057	100.0
161.04422	5.2
169.01413	2.0
172.04051	7.4
174.05650	17.7
179.02242	11.5
179.05617	2.8
186.05577	5.2
202.05109	29.8
203.05504	2.2
214.05194	9.0
222.60466	1.5
225.96193	1.6
232.06137	3.0
310.09344	80.9
310.12946	3.9
311.09702	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	310.0934
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
56.13284	1.5
57.03462	2.1
58.00589	2.1
59.01384	57.2
70.11531	1.5
71.00986	1.7
71.01388	33.3
72.99335	2.6
73.02934	3.4
75.00894	2.2
85.02946	11.5
87.00897	3.7
89.02448	32.6
92.05074	7.3
95.01414	1.9
98.21708	3.1
101.02456	20.2
113.02468	13.5
116.05051	2.6
118.02995	6.2
119.03513	17.3
120.04563	9.0
128.05052	1.8
131.03676	8.0
132.04573	16.7
134.06160	4.2
143.84821	1.6
144.04549	8.5
146.02496	56.1
146.06163	3.2
147.03282	82.0
148.04086	19.7
158.06042	2.2
160.04059	100.0
161.04439	5.2
162.05647	2.3
164.71568	1.7
172.04019	5.3
174.05621	16.7
179.02187	13.4
179.05670	3.7
186.05635	4.5
196.03975	1.8
202.05125	32.2
204.06767	1.9
214.05043	10.3
232.06174	5.7
310.09348	90.4
311.09680	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	310.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	4.1
59.01370	0.9
66.03477	3.4
70.02991	1.3
70.61581	0.9
70.61906	2.2
73.04056	2.6
84.00911	1.1
84.04561	0.9
96.04567	1.2
97.04062	1.9
98.02485	27.0
98.06121	5.7
99.05649	5.2
110.06155	1.3
110.20534	0.8
113.07253	3.7
114.05623	32.7
114.06423	1.7
115.05152	2.6
120.80368	0.9
122.03561	0.8
123.05657	0.9
124.04033	1.0
125.03582	5.7
135.04515	1.1
140.07204	4.5
141.06718	1.7
144.56392	0.9
147.03174	1.0
149.00946	2.2
152.05981	1.1
152.07167	1.8
153.06712	31.2
165.06601	1.4
167.04625	4.0
167.08281	3.3
177.06691	1.6
179.03494	1.6
192.07970	0.8
195.07761	100.0
196.08154	4.4
196.10907	1.6
211.10899	26.4
212.11200	1.6
224.14041	1.4
248.14142	1.9
262.12384	0.8
266.15100	10.6
267.15164	1.2
310.14105	74.8
311.14282	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	311.0412
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
59.01390	6.3
59.66138	0.9
66.00903	1.0
72.26024	1.0
72.99318	9.1
78.71645	1.2
79.72437	1.1
87.00886	20.5
103.00389	6.0
112.98885	1.1
122.06221	1.0
122.82770	1.0
128.03519	1.7
130.99910	1.4
134.03755	4.6
135.04543	49.0
149.00932	100.0
150.01328	2.4
179.03520	40.0
180.03828	2.3
242.98781	1.1
272.92599	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	311.041
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
59.01387	12.2
71.01386	3.7
72.99312	10.3
75.00883	3.8
78.82880	0.8
78.95908	3.6
81.10695	1.0
87.00884	21.5
87.92543	1.1
89.02438	2.4
95.01357	1.1
97.56054	1.2
101.02473	2.0
103.00390	5.4
103.92035	6.3
104.92799	9.7
105.01934	1.8
107.05033	1.6
111.00857	1.3
113.02472	1.7
119.03522	1.7
125.02470	1.8
130.99960	1.1
131.03471	1.3
134.03755	4.4
135.04539	53.8
136.04909	1.3
139.95735	1.4
149.00929	100.0
150.01250	2.0
151.02095	3.5
151.95689	3.2
155.95200	3.6
166.90024	0.9
168.00656	1.5
169.01436	2.3
179.03510	46.6
179.95146	1.5
180.03851	2.7
181.93245	1.2
195.01038	13.0
201.89574	1.1
204.52893	1.0
206.95497	2.8
213.01981	1.9
257.94626	2.4
311.02045	9.4
311.09802	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	311.0565
Annotation	Scillascillin
Peak:m/z	Relative Intensity
53.46153	0.6
57.03431	1.1
61.98831	1.5
63.02401	1.5
64.86624	0.7
65.00335	6.3
69.32059	1.5
69.32471	3.0
81.03435	0.7
83.01389	2.8
84.75515	0.6
107.01398	9.3
109.02967	6.9
117.03463	0.6
119.32847	0.7
121.02955	1.6
125.02453	7.3
130.04274	1.6
131.05020	2.9
133.02956	1.1
135.04526	1.0
137.02550	0.8
145.02937	1.1
149.02463	5.8
151.00378	23.7
152.00792	1.2
158.03775	1.1
159.04526	50.4
160.04861	2.2
161.02472	1.8
165.01927	2.5
183.04530	0.8
183.53595	0.6
185.02431	2.7
189.01964	2.8
197.06160	0.8
201.01964	3.7
201.05571	1.5
225.05522	2.0
243.06677	7.3
247.57854	0.7
249.05486	0.7
267.06757	0.8
269.04456	1.2
311.05634	100.0
311.22229	1.3
312.05960	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	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.7
55.43716	0.6
59.01389	19.8
63.28324	0.6
67.01843	0.6
69.03459	1.6
70.03011	2.6
71.01383	2.3
72.99319	1.5
73.02953	2.0
83.01395	1.4
85.02950	3.4
87.00879	1.2
95.01394	1.2
97.02954	0.9
98.22462	0.7
99.00905	1.5
101.02466	0.8
105.41183	0.6
107.01408	1.9
107.04980	0.8
109.02936	0.8
111.00792	0.8
113.02482	1.4
119.05048	7.1
123.00900	2.4
123.04524	0.8
123.28500	0.6
125.02473	13.6
126.02801	1.0
131.03519	13.5
133.02986	5.8
134.03758	2.1
135.04541	22.1
136.04855	1.1
136.98857	0.7
137.02466	1.1
139.00400	1.1
140.01216	1.1
147.04462	0.8
148.04063	3.1
149.04572	100.0
150.04901	1.9
151.00381	1.1
161.02467	20.4
163.00458	0.8
163.04050	10.2
165.01958	1.6
165.04097	4.3
167.00060	0.6
167.03500	1.1
168.00676	1.0
169.01442	16.9
169.02837	1.2
170.01886	1.1
175.04045	2.4
177.05609	2.9
179.03528	12.9
191.03470	0.6
193.01404	1.1
203.03510	2.9
209.00946	1.0
211.02557	0.7
220.03847	1.1
221.04596	3.1
247.02513	1.4
248.68214	0.7
262.04062	1.4
265.03537	4.8
266.03787	0.8
271.04575	1.2
280.04071	0.7
289.04645	6.7
289.54797	1.6
302.03641	1.8
302.53650	1.0
311.04291	1.6
311.07986	1.1
313.05637	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57578	0.3
55.01883	1.8
57.03451	9.6
57.36934	0.2
59.01383	14.5
60.01718	0.3
67.01904	0.3
68.99815	0.6
69.56972	0.4
69.57377	1.0
71.01389	10.3
72.99315	4.9
73.02956	1.4
75.00877	12.2
80.75072	0.2
83.01395	1.8
84.02180	2.5
85.02957	100.0
86.03300	1.8
87.00878	2.3
88.04051	0.4
89.02473	0.4
93.03470	0.7
95.01401	0.4
97.02949	0.5
98.00128	0.4
99.00892	2.3
101.02458	1.3
103.00368	1.5
103.92005	0.5
104.92813	0.9
107.05122	0.3
108.02219	0.3
109.02959	0.6
111.00874	0.9
113.02480	0.5
115.00378	0.4
117.01964	0.9
117.03499	0.7
119.05024	2.2
121.02967	30.9
121.62026	0.3
122.03292	1.0
123.00887	0.4
123.04533	1.2
124.01669	1.1
125.02438	2.1
129.01944	1.2
132.03040	1.6
133.06573	0.8
134.03743	0.7
135.04546	5.1
136.04956	0.2
137.02475	0.8
138.03247	7.4
139.03465	0.4
145.02957	4.4
147.03009	35.6
148.03368	0.9
149.00920	10.4
149.02434	9.5
149.03622	0.4
149.06088	0.7
150.01314	0.3
150.03130	0.8
151.03981	0.7
151.07677	1.8
153.01881	0.3
159.04550	0.4
161.04558	1.1
161.06032	0.7
163.03957	0.7
164.04791	2.3
168.00606	0.3
169.01445	0.3
177.05554	1.2
179.03558	4.7
179.07146	16.4
180.07478	1.0
181.04999	0.6
187.04005	0.4
189.04070	6.4
189.05522	0.3
191.03461	0.3
193.01411	0.4
203.03439	0.6
205.03265	0.5
205.05069	6.7
221.04530	0.7
223.06126	1.4
230.93826	0.2
249.04147	1.3
251.11311	1.8
267.05136	2.3
293.02991	3.1
293.06607	1.4
311.04092	5.0
311.07669	28.4
312.07913	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72497	0.3
55.01868	1.6
57.03451	10.5
58.00602	0.3
59.01380	12.5
67.01915	0.3
68.99805	0.6
71.01385	11.1
72.99313	6.4
73.02955	1.0
75.00880	12.7
76.01247	0.3
83.01389	1.8
84.02159	2.1
85.02956	100.0
86.03294	1.5
87.00867	2.8
89.02477	0.4
92.98624	0.3
93.03448	0.5
95.01378	0.3
97.03000	0.3
99.00885	2.0
101.02454	1.0
101.82088	0.3
102.63509	0.3
103.00359	1.6
104.92831	0.5
109.02992	0.5
111.00880	0.8
113.02509	0.4
117.01947	0.7
117.03495	0.6
119.05029	1.7
121.02967	32.7
122.03317	0.7
123.00931	0.4
123.04530	0.9
124.01665	1.0
125.02479	1.9
129.01952	0.7
132.03029	1.0
133.06598	0.6
134.15381	0.3
135.04535	6.2
137.02449	0.8
138.03223	5.7
138.21017	0.3
143.99677	0.3
145.02950	4.6
147.03008	38.7
148.03371	1.2
149.00925	10.6
149.02434	7.3
149.03601	0.3
149.06107	0.5
150.01321	0.3
150.03107	0.8
151.03973	0.8
151.07686	1.8
159.04568	0.5
161.04532	0.9
161.06053	0.9
163.03975	0.8
164.04817	1.4
167.03488	0.5
167.60379	0.3
169.01439	0.5
173.25513	0.3
177.05563	1.1
179.03545	5.3
179.07140	11.7
180.07452	0.6
181.05035	0.6
181.97491	0.3
189.04059	5.7
189.05591	0.2
190.02707	0.5
193.01447	0.5
205.05078	5.1
206.05373	0.4
221.04550	0.4
223.06129	0.9
228.76649	0.4
249.04152	0.6
251.11346	1.2
267.05103	1.8
293.03012	2.8
293.06683	1.9
310.44339	0.4
311.04120	4.4
311.07666	30.8
312.07874	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46824	0.6
59.01377	4.5
64.49329	0.6
70.24536	2.3
71.01387	5.2
73.02949	4.6
73.89256	0.6
75.00917	0.6
75.37847	0.7
81.45505	0.6
83.51783	0.6
85.02969	1.1
87.00886	2.3
89.02454	24.4
90.02776	0.9
103.04015	2.1
104.60793	0.5
105.76661	0.6
107.05063	0.8
109.02957	1.2
119.05015	0.8
121.02900	0.6
125.02441	1.5
131.03531	7.1
133.03008	1.7
134.03728	2.3
135.04539	27.6
135.17616	0.5
136.04926	0.6
145.32204	0.6
147.03027	0.9
149.04572	100.0
150.04945	2.0
161.02448	5.9
163.04077	1.5
165.04068	1.3
168.00816	0.5
169.01442	1.6
179.03514	15.2
205.05086	0.9
247.02429	0.7
302.03607	0.9
311.07629	2.0
316.72083	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	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75571	1.2
57.03448	3.0
59.01382	100.0
69.34911	2.6
69.35314	6.1
71.01382	11.6
72.99290	3.8
73.02937	4.5
75.00860	2.5
83.01363	1.5
85.02957	23.7
87.00869	4.3
88.04031	1.7
89.02457	3.8
89.93527	1.3
93.03494	1.5
99.00886	3.5
101.02468	10.1
103.00359	1.6
103.92049	2.1
104.92791	3.7
109.03001	1.8
111.00875	1.6
113.02439	4.7
119.03539	1.5
121.02992	8.1
121.03731	1.5
123.00897	1.5
123.04528	7.3
124.01663	3.7
125.02477	6.4
132.03029	3.6
133.06604	2.6
134.03723	1.7
135.04539	14.5
137.02419	3.1
138.03259	14.3
143.03566	1.5
147.03009	5.5
149.00920	25.2
149.02432	10.9
149.04578	3.9
149.06081	4.1
150.03232	2.8
151.03989	3.6
151.07645	16.1
154.25618	1.3
161.04553	10.6
161.05969	2.4
163.03955	2.1
164.04762	4.6
169.01419	2.0
175.03984	1.5
177.05554	3.8
179.03571	11.7
179.07143	62.1
180.07445	1.5
187.03969	3.8
189.05525	3.0
190.02716	1.3
196.06117	1.7
205.05063	19.2
223.06084	4.8
249.03998	3.9
251.11375	21.7
267.05099	3.8
293.03024	4.2
302.03690	1.4
311.04056	9.3
311.07831	5.3
311.12390	3.4
312.07434	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	311.1869
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
51.41954	2.7
54.45151	3.2
59.01398	3.4
61.98829	7.4
63.61766	3.1
67.84479	2.9
70.60723	7.1
75.56165	3.1
121.03016	4.0
140.11679	3.8
148.89125	3.4
152.67381	3.5
152.94246	3.1
167.97360	3.3
249.18741	3.7
267.19662	100.0
268.20084	7.6
275.16595	5.7
293.17651	29.6
293.20773	6.0
307.02115	3.6
311.15338	6.2
311.18613	35.0
311.22330	21.6
312.12387	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	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24677	1.1
51.02947	0.8
54.36739	0.9
54.81762	1.2
57.03437	2.3
59.00391	1.0
59.01368	1.3
61.98828	2.6
70.15109	3.7
88.30508	1.0
88.54168	1.0
99.08142	1.9
110.60944	1.1
113.09747	2.3
119.94672	1.0
125.09818	1.3
127.11311	2.2
129.09230	3.5
137.09766	1.4
139.11276	4.0
147.04538	2.0
155.10829	1.4
167.14409	1.5
171.10277	14.9
181.12341	2.6
183.01080	1.0
183.10271	2.3
183.13953	2.4
185.11842	3.8
195.13878	2.9
197.11826	2.6
199.13403	1.5
201.11322	3.1
211.13411	7.1
249.22391	1.5
275.20358	1.5
293.21240	37.6
294.21512	2.3
311.22299	100.0
312.22580	8.9
314.63989	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.22601	0.9
57.03463	0.9
82.64887	0.8
89.57362	0.9
93.23309	0.8
97.74455	1.0
98.22597	2.0
120.63515	0.8
129.09241	1.2
153.12865	3.6
169.12360	3.2
171.13792	0.9
180.04279	1.2
181.12373	9.3
190.12288	1.0
197.11833	1.2
199.13356	1.0
293.21237	10.2
311.22305	100.0
312.22653	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	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.97894	0.8
51.70099	1.0
57.03443	1.2
58.52621	0.7
59.01378	2.1
61.98795	1.0
69.62451	1.0
75.46162	1.0
98.22604	1.9
107.08675	1.0
122.20676	0.8
125.09740	0.9
134.06149	2.4
139.11324	1.2
141.12866	1.1
150.05644	1.7
171.10281	27.4
172.10442	0.9
179.62558	0.8
201.11394	0.9
215.92752	0.9
218.75203	0.9
221.88921	0.9
244.08737	0.9
245.59929	0.9
263.20273	4.4
275.20142	8.6
291.19815	1.2
293.21234	22.3
294.21664	1.7
311.22299	100.0
312.22574	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	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.04345	0.5
57.03440	1.8
59.01374	1.7
61.98820	1.2
67.43145	0.6
69.00150	1.7
69.00568	4.3
71.01385	0.7
84.54803	0.6
91.12939	0.5
95.38685	0.6
97.06606	0.6
106.12791	0.6
107.08678	0.8
111.08195	0.8
113.09686	0.6
121.10294	0.7
125.09699	1.6
139.11325	1.5
141.12875	2.1
155.10779	0.7
169.12363	1.3
171.08788	1.3
171.10277	26.4
172.10587	1.0
174.20564	0.6
183.10258	1.9
185.11867	1.5
195.13850	0.8
208.00365	0.6
219.21114	0.7
263.20215	4.4
275.20169	7.1
293.21243	24.3
294.21396	1.1
311.22296	100.0
312.22635	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18752	2.5
58.00590	15.2
59.01339	3.1
70.01759	2.6
70.74100	7.8
93.37234	2.5
94.65792	2.6
110.30961	3.1
127.07636	10.3
183.13908	28.9
213.15016	10.6
241.14421	8.2
293.21274	9.8
311.22314	100.0
312.22702	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	311.223
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
57.03429	1.1
59.35179	0.8
70.75279	0.7
70.90678	1.6
76.91060	0.7
81.03489	0.8
85.63992	0.7
125.09728	2.9
127.11334	1.5
139.11290	3.1
150.10539	0.7
153.12848	1.0
163.11238	5.4
164.12036	1.2
165.12904	1.6
167.10762	1.4
167.14482	1.1
168.11578	1.9
171.10274	9.0
185.11774	1.0
231.25781	0.8
249.22223	3.9
275.20267	1.1
293.21240	97.7
294.21609	8.6
311.22299	100.0
312.22672	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03440	1.1
61.13277	0.8
70.95823	1.8
74.21508	0.9
103.08748	0.9
121.10275	2.8
123.08156	1.7
125.09750	4.5
127.11291	7.9
139.11308	19.5
139.64786	0.9
141.12895	1.0
151.98860	0.9
155.10767	4.2
165.09181	1.3
171.10284	90.9
172.10646	3.6
183.10292	7.0
185.11858	18.4
201.11366	15.1
275.20087	8.5
275.22177	0.9
293.21246	25.5
294.21475	3.0
311.22314	100.0
312.22623	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03444	2.1
59.01378	2.6
70.81792	2.6
70.82126	1.7
79.63747	1.2
82.41920	1.4
83.05008	2.1
83.12636	1.3
98.22099	1.4
99.08163	4.9
112.36263	1.3
113.09722	4.8
129.09261	8.6
139.96312	1.3
144.88776	1.2
169.12312	4.2
171.10304	5.5
181.12314	7.8
183.13962	2.4
193.12335	2.7
197.11816	12.6
199.13409	5.5
211.13402	20.9
211.85248	1.4
217.56656	1.4
235.40489	1.2
275.20129	3.5
293.21216	18.2
311.22311	100.0
312.22559	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.53662	0.5
70.31535	1.8
97.06600	1.0
113.09717	0.8
115.07645	1.5
128.08501	0.8
139.11278	0.5
162.72528	0.5
163.65446	0.5
167.14418	4.3
183.13963	2.3
193.75484	0.5
195.13898	12.2
196.14281	1.3
211.13400	1.6
213.14986	1.9
242.15266	1.5
249.22290	0.6
259.41574	0.5
265.21741	1.0
267.23279	0.7
271.97897	0.5
293.21274	9.2
311.22311	100.0
312.22574	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99773	0.6
51.99669	0.7
58.00601	14.5
59.01375	0.7
64.26209	0.5
70.82802	1.8
73.02937	1.3
88.04574	0.7
109.06600	2.0
112.53074	0.7
127.07664	9.7
147.26350	0.6
183.13922	30.9
184.14299	1.8
195.13930	2.6
201.11356	1.3
205.12582	0.7
211.13467	0.9
213.14993	9.2
223.13371	2.2
225.41528	0.6
241.14482	10.0
242.14795	0.9
275.20135	1.8
293.21265	8.7
311.22299	100.0
312.22635	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	312.0066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37079	0.9
54.13858	0.9
59.01384	9.2
61.98825	10.9
67.55277	1.0
69.02689	7.0
69.03091	1.8
70.61020	0.9
71.01379	3.2
73.99708	1.0
74.99374	2.0
77.12199	0.9
84.80798	0.8
98.22559	1.5
99.98919	2.5
117.00449	15.3
123.90267	1.0
126.00485	4.2
126.98154	1.2
129.00446	1.2
137.94659	0.9
140.02090	1.5
141.99979	55.7
143.00108	4.7
159.01506	1.9
167.99742	1.0
168.91690	1.2
168.99254	1.0
169.89499	4.4
169.93529	1.4
169.99474	100.0
170.97879	37.3
170.99489	5.9
171.01549	4.6
179.95573	3.2
183.94983	1.8
184.01031	23.0
185.01192	1.6
217.00537	2.2
259.01523	4.9
276.54004	0.9
282.52344	0.9
283.92365	1.1
291.42877	1.1
312.99176	3.2
313.02594	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	312.0728
Annotation	Fontinalin
Peak:m/z	Relative Intensity
59.01384	4.8
69.71951	1.7
69.72336	2.4
71.01386	5.9
85.02959	3.1
86.03305	1.4
87.00879	2.5
88.04049	32.3
89.04369	0.8
98.21811	0.9
109.02982	1.5
114.01951	3.7
115.00385	15.4
119.05050	3.3
121.02967	38.1
123.04550	3.4
132.03038	100.0
135.04538	17.8
136.04828	1.4
137.02483	0.7
139.04086	1.6
147.03011	1.5
149.00922	2.6
149.02451	6.1
161.02457	4.0
163.21695	0.7
166.05099	3.5
179.03519	5.3
181.05089	22.5
196.06258	1.0
197.04674	1.8
234.28178	0.7
238.07201	2.0
254.53738	0.7
264.05313	0.8
276.05063	1.3
282.06201	5.0
294.06226	11.7
295.06494	1.0
312.07321	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	312.0727
Annotation	Fontinalin
Peak:m/z	Relative Intensity
59.01373	1.8
70.88400	1.1
71.01385	13.5
72.00913	5.2
72.04557	2.2
72.99319	5.6
87.00879	1.2
88.04053	2.5
95.05034	1.7
98.02465	1.7
100.04040	7.0
101.02489	0.6
107.71636	0.6
109.02945	1.5
115.00381	21.6
121.02978	2.7
122.03712	1.4
123.04532	100.0
124.04871	4.5
125.02479	1.7
127.89574	0.6
132.03064	2.3
133.01427	5.2
134.03795	0.7
135.04530	35.3
136.04884	3.4
144.03030	7.6
149.00932	3.3
149.65392	0.6
150.01288	1.6
151.04008	1.2
163.03903	0.7
169.01454	1.7
179.03506	5.9
180.03857	1.9
180.07454	0.6
181.05077	2.6
184.62415	0.6
196.06155	32.6
197.04588	11.9
197.06392	1.7
205.05249	0.6
211.02406	0.6
241.03514	0.9
268.08160	4.5
294.06232	10.1
294.09302	1.1
295.06604	0.6
312.07278	39.1
313.07571	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	312.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	26.1
71.27020	3.7
71.27377	5.3
75.99825	3.3
79.59740	3.9
94.88396	4.3
101.02443	4.2
106.00638	7.1
115.00374	12.1
121.02970	45.4
125.02464	16.5
136.98863	3.8
153.05592	34.8
169.01448	17.9
182.02269	8.2
185.02519	3.8
194.71591	4.1
197.04559	100.0
213.01883	5.3
229.01428	5.8
246.57581	3.7
283.99759	5.2
285.00436	92.9
285.57886	4.2
312.99969	69.1
313.05801	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	312.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91757	0.4
69.14848	0.9
69.15253	1.6
98.22296	1.4
107.05016	0.6
119.05057	1.5
124.01675	0.6
133.02997	1.3
133.05368	3.4
134.03760	5.5
135.04538	30.5
136.03969	1.5
136.04897	1.1
137.02446	0.9
147.04532	9.0
148.05319	100.0
149.05681	3.3
150.03238	1.2
160.04115	1.2
161.02490	1.6
162.03198	0.8
162.05621	1.1
172.12938	0.3
175.02710	0.4
175.04039	0.8
176.03557	7.4
177.04326	2.9
178.05110	47.8
179.05522	1.7
190.05115	27.9
191.05553	1.0
236.36017	0.3
253.08696	2.4
270.11349	0.7
283.02307	0.3
296.09366	1.0
297.10083	20.4
298.10367	1.9
312.12433	99.5
313.12778	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	312.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32077	0.5
51.91758	0.9
61.96469	0.6
63.43583	0.5
69.17249	0.5
69.30877	3.6
75.94445	0.5
90.77297	0.7
96.05647	0.5
115.34889	0.6
117.03458	0.5
119.05011	1.6
121.02940	0.6
125.02448	0.6
133.02997	0.8
133.05327	2.8
134.03764	5.4
135.04538	27.7
136.03987	1.3
136.04903	0.8
147.04533	6.0
148.05325	80.5
149.05626	3.4
150.03210	1.2
151.00320	0.8
160.03961	0.8
161.02449	0.9
162.63168	0.6
162.75711	0.5
175.04001	0.6
176.03549	6.7
177.04286	2.3
178.05121	42.1
179.05458	1.9
183.94142	0.5
190.05113	20.6
191.05569	0.8
241.05046	1.6
253.08694	2.0
255.03050	3.1
270.05295	0.7
285.00507	2.7
294.35849	0.6
296.09280	1.0
297.10117	14.7
298.04901	1.9
298.10455	1.2
312.12439	100.0
312.99979	2.4
313.07315	3.8
313.12814	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	313.0354
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
50.43571	0.2
55.25816	0.2
58.06413	0.2
119.37927	0.2
125.02510	0.3
134.88141	0.2
144.62358	0.2
145.03033	0.3
146.03812	0.3
151.79970	0.3
158.03767	1.0
159.01006	0.2
161.02556	0.3
162.03288	0.3
162.55087	0.2
166.36354	0.2
169.01443	0.3
170.03790	0.7
173.02463	0.3
174.03230	0.5
186.03242	1.5
189.02028	0.3
190.02762	0.5
197.02559	0.3
198.03227	2.6
198.04916	0.3
213.02010	0.4
214.02739	8.6
215.03058	0.4
218.02292	0.3
221.81877	0.2
225.02048	0.6
226.02811	0.9
229.49777	0.3
241.01501	0.6
242.02229	4.3
254.02434	0.2
269.00940	6.9
270.01675	3.3
281.01035	0.4
297.00433	8.2
298.01208	100.0
299.01550	7.3
299.05054	0.2
312.18082	0.2
313.03558	62.1
314.03894	5.6
330.00165	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	313.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22410	1.1
69.77106	2.9
69.77514	3.4
71.01385	25.1
78.01142	1.3
89.00371	4.4
91.01920	1.8
106.00625	3.8
110.00245	1.2
115.00381	8.1
121.02973	53.1
122.03311	2.4
123.00896	4.5
125.02455	3.6
127.00386	1.6
138.03281	2.1
153.05598	34.8
166.99960	1.8
169.01442	4.4
182.02223	7.3
195.56268	1.0
197.04572	100.0
198.04912	3.6
313.05707	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	313.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85946	1.0
56.09437	1.1
57.37105	1.0
71.01387	23.6
75.01476	1.0
89.00354	3.9
91.01923	2.2
98.21635	2.2
106.00631	3.8
111.50194	1.2
115.00389	10.9
121.02973	53.5
122.03278	2.4
123.00919	4.3
138.03238	2.7
139.00418	1.7
153.05592	40.0
154.05956	2.1
166.99922	2.2
182.02219	7.2
197.04561	100.0
198.02043	1.1
198.04892	3.6
244.61317	1.1
312.99756	1.4
324.45532	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	313.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46514	0.8
69.33972	1.7
69.34385	5.1
71.01392	19.7
72.01686	1.1
89.00340	3.1
91.01904	1.5
96.11848	0.9
98.22496	1.6
106.00639	4.4
115.00407	10.5
121.02971	51.3
122.03241	1.4
123.00908	2.7
134.00790	0.9
136.98840	1.1
138.03235	2.8
139.00377	1.2
141.85205	0.8
153.05597	38.1
154.05925	1.3
166.99915	1.2
182.02180	5.4
197.04570	100.0
198.04942	4.6
232.92441	1.0
298.44147	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	313.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.5
71.01380	2.5
71.26026	0.9
72.99328	0.8
80.93250	0.7
85.02944	0.8
87.00887	5.0
88.04051	1.5
101.02453	0.9
103.00395	0.8
108.02227	0.9
112.98772	0.8
113.02518	0.8
115.00364	1.8
119.05038	6.2
121.02969	100.0
122.03281	3.4
125.02511	1.2
128.44035	0.7
132.03050	2.3
133.01428	1.6
133.03392	1.2
135.04520	6.6
149.00948	5.3
169.01402	2.1
181.05084	69.8
182.05402	2.7
266.08884	0.8
313.05728	2.1
313.11411	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	313.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.0
68.18300	0.5
69.24322	4.0
71.01380	1.1
72.99292	0.9
78.08801	0.5
78.65579	0.5
87.00883	4.6
88.04076	2.3
89.04350	0.7
103.00384	0.6
112.98787	0.8
115.00377	1.1
119.05038	6.1
121.02969	100.0
122.03303	3.3
132.03040	8.2
133.03395	3.8
135.04504	1.2
136.04900	0.9
149.00925	5.1
151.34453	0.5
176.38522	0.4
181.05081	66.6
182.05466	2.4
194.18257	0.5
231.16130	0.5
295.06363	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	313.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83994	0.4
59.01385	9.5
71.01382	0.8
72.99297	0.7
87.00888	3.8
88.04047	1.1
89.53461	0.4
96.64675	0.4
103.00373	0.7
112.98839	0.6
115.00371	0.5
117.87589	0.4
119.05047	6.7
121.02969	100.0
122.03301	2.9
125.02449	0.4
129.98033	0.4
132.03021	3.8
133.03415	0.9
135.04547	1.3
136.04929	0.5
147.36177	0.5
149.00929	5.4
149.02176	0.7
179.03439	0.4
181.05083	64.2
182.05470	2.3
263.01178	0.4
295.06561	0.8
313.05502	0.7
336.14969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
52.25423	0.2
55.01888	0.4
57.75523	0.2
58.93470	0.1
59.01372	0.2
64.99979	0.4
65.00328	7.6
65.03985	0.3
65.98876	0.2
66.00669	0.2
67.01904	1.0
68.99822	2.3
69.03459	2.7
71.01379	0.2
71.26414	0.2
73.59890	0.2
75.02399	0.3
77.03977	1.3
79.01902	3.6
80.02230	0.2
81.03465	6.2
83.01391	5.9
84.99291	0.3
93.03467	8.9
94.03803	0.3
95.01392	2.1
95.05040	1.3
97.02957	10.0
98.03285	0.3
99.04530	0.4
105.03467	3.2
107.01398	6.9
107.05046	0.7
108.02244	0.3
109.02957	0.9
111.04604	0.2
115.05618	0.2
117.03485	2.0
119.05039	65.3
120.05370	2.1
121.02970	11.7
122.03812	0.3
123.00898	5.1
123.04544	2.0
125.02459	27.2
126.02802	0.5
130.04282	0.2
131.01366	0.2
131.05031	0.3
133.02950	0.5
134.03712	0.3
135.00903	0.3
135.04538	1.6
136.01613	0.2
137.02454	5.2
138.02803	0.2
139.04065	0.5
141.01939	0.2
143.05043	5.6
144.05354	0.2
145.02969	6.4
146.03375	0.2
147.00887	0.3
147.04483	0.9
148.01680	0.2
149.02458	9.6
150.03172	0.4
151.00410	1.7
151.04016	0.6
156.05856	0.7
157.06587	0.8
159.04500	0.3
160.05305	0.2
161.02428	0.7
161.06105	3.4
162.03220	0.2
163.00388	1.8
163.04015	2.3
164.01187	2.1
165.01945	13.4
166.02390	0.5
167.03511	5.4
167.04892	0.3
168.03920	0.2
169.01480	0.4
169.06610	0.6
171.04469	0.3
171.08151	0.7
173.06085	0.2
175.00471	0.2
175.03999	0.4
177.01981	0.3
179.03522	3.1
181.06625	0.3
182.07333	0.6
183.08167	0.3
184.05324	0.6
185.06085	3.0
187.04027	7.9
188.04381	0.4
189.05556	0.4
190.99934	1.0
191.03519	1.8
193.01431	45.6
194.01761	2.1
195.04503	0.2
195.08202	0.3
196.00130	0.2
197.06049	0.9
197.09764	0.2
198.06906	0.5
199.07674	2.4
201.05562	0.3
203.07199	0.7
207.03000	3.9
207.08261	0.2
210.06763	0.2
211.02483	0.6
211.07556	0.2
213.09210	0.6
219.02980	3.3
220.03487	0.2
223.07646	0.4
225.05687	0.8
225.09239	0.5
226.06325	1.0
227.07173	1.7
229.05067	1.0
239.07103	0.4
240.07901	0.3
241.08710	2.0
243.06636	0.7
245.08177	1.1
251.07095	0.4
267.06625	0.3
269.04816	0.5
269.08228	3.5
269.12738	0.2
270.08478	0.3
271.06168	0.5
285.00528	1.3
285.03629	0.3
285.07318	0.9
295.05881	0.2
313.07181	100.0
314.03806	0.4
314.07523	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98695	0.5
68.99825	3.6
70.45821	0.6
84.62765	0.6
88.76899	0.5
98.21708	1.2
117.03521	1.7
125.02536	0.8
135.04575	0.8
136.04915	0.6
141.03499	3.4
143.05150	0.5
148.05363	2.7
149.05702	1.9
151.00484	1.1
154.67851	0.5
155.05055	0.8
163.21599	0.5
167.04991	0.8
171.04568	0.9
178.05113	1.2
179.05460	0.9
183.04517	6.6
184.05011	0.7
185.02498	0.6
185.06125	2.0
187.04039	1.3
191.05365	0.5
191.49574	0.5
195.41251	0.5
198.03230	3.0
207.40533	0.5
210.03308	0.8
211.04018	17.2
213.02066	0.6
213.05573	10.4
214.02769	2.5
215.23102	0.5
226.02745	12.8
227.03470	7.1
239.03481	0.7
241.05083	70.1
242.02232	1.0
242.05437	4.1
254.02217	1.3
255.03008	99.8
256.03348	6.8
269.01282	1.0
269.04565	21.3
270.05344	41.6
271.05630	2.8
297.00388	1.5
297.04095	1.9
298.01205	21.3
298.04834	48.1
299.01447	2.0
299.05142	3.8
313.03604	13.3
313.07159	100.0
313.12381	5.9
314.04147	1.0
314.07495	8.7
330.00397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16483	0.7
64.92025	0.5
68.99828	3.6
91.93732	0.5
98.21805	1.4
114.50005	0.5
117.03545	1.0
136.04901	0.6
139.24329	0.6
141.03468	3.3
148.05380	2.1
149.05655	2.3
156.44466	0.6
167.05177	0.7
169.01193	0.5
178.05159	0.7
179.05508	1.4
183.04538	6.1
185.06136	1.6
187.04019	1.9
198.03186	3.3
211.04022	16.8
212.04379	0.6
213.02136	0.6
213.05577	8.4
214.02740	1.6
226.02745	10.3
227.03494	7.2
228.60336	0.5
229.06224	0.6
230.02185	0.8
239.03368	0.6
241.05092	57.7
242.02556	0.8
242.05408	4.2
254.02260	1.4
255.03018	100.0
256.03357	6.2
269.01425	1.3
269.04575	20.0
269.07498	1.0
270.05341	41.4
271.05630	2.3
283.02524	1.1
297.00635	1.1
297.04065	2.4
298.01212	16.8
298.04840	42.6
299.01547	1.6
299.05209	2.8
313.03629	8.5
313.07178	86.1
313.12421	6.1
314.04056	1.2
314.07495	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	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69670	0.2
77.03992	0.3
98.21921	1.3
98.22624	0.5
117.80338	0.2
121.02969	100.0
122.03303	3.6
180.05879	0.9
181.06624	4.3
188.91394	0.2
207.82124	0.3
225.05586	6.8
226.05872	0.4
228.98753	0.2
269.08310	0.3
270.04993	0.2
313.07211	11.7
313.23721	0.3
314.07556	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	313.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14579	1.5
63.26930	1.6
66.41446	1.5
78.88332	1.6
89.44859	1.3
121.02980	2.1
134.95280	1.4
213.70917	1.5
229.26965	1.5
255.03008	96.8
256.03357	6.0
270.05273	7.1
282.99579	1.2
283.02490	35.7
284.02844	2.5
298.04849	100.0
299.05188	7.3
312.22534	8.1
313.07230	79.2
313.10330	1.8
313.17902	5.5
313.23309	8.3
314.07489	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	313.2389
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.95619	4.3
61.98825	12.0
69.20546	11.4
69.20959	27.0
81.98434	5.2
98.22546	8.5
106.11829	4.2
118.18729	4.3
126.30710	4.7
153.50668	4.6
209.30750	4.4
231.35426	4.9
241.12741	4.5
295.22906	6.9
313.07224	8.9
313.23886	100.0
314.24158	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	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01369	0.4
65.93648	0.2
69.72453	0.2
70.25340	0.4
70.25724	0.3
82.99552	0.2
83.05050	0.2
94.92392	0.2
97.06609	0.2
111.08170	0.6
113.09747	1.1
141.09212	0.2
143.10794	1.6
151.11368	0.3
169.12363	7.9
170.12660	0.4
185.02354	0.3
206.26323	0.2
249.22179	0.4
265.21826	0.3
277.21735	1.5
285.00394	2.2
293.21124	0.4
295.22794	14.5
296.23099	1.0
311.22369	1.4
312.99985	1.5
313.23862	100.0
314.24200	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	314.1037
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
62.87902	0.8
70.66379	1.6
83.37321	0.8
91.05543	1.2
93.03483	0.9
95.05016	1.0
107.01394	1.1
107.05043	3.6
109.03016	0.8
121.02965	2.1
122.03753	8.1
123.00862	0.9
123.04570	6.7
125.02426	2.6
133.02966	6.6
135.04538	100.0
136.04868	3.4
137.02446	1.3
141.98140	0.8
148.05290	1.8
150.05602	3.0
151.00438	1.4
152.07185	45.1
153.07555	2.0
160.03981	1.4
161.01117	1.7
161.02451	33.6
162.02731	1.4
165.16661	0.8
166.37587	0.8
169.01387	2.5
170.09038	0.8
178.05115	11.9
180.06641	3.4
192.06644	1.3
196.71425	0.8
197.49022	0.8
299.99127	9.3
300.99661	1.2
313.05792	2.7
314.10352	85.1
315.01459	7.0
315.10684	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	314.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95898	0.7
58.02992	0.8
64.10422	0.6
69.35278	4.2
69.35710	1.1
69.91492	0.6
71.60982	0.6
72.84383	0.6
91.05555	1.4
98.21839	1.6
103.46578	0.6
107.05016	3.9
109.02983	0.8
121.02979	2.5
122.03738	7.1
123.04562	7.1
133.02971	6.4
134.03748	1.8
135.04541	100.0
136.03987	1.2
136.04924	3.5
137.02417	1.4
148.05348	2.7
150.05650	1.9
152.07187	50.9
153.07570	1.3
154.02756	1.3
155.40024	0.7
158.70465	0.7
160.04105	1.0
161.02454	34.8
162.02834	1.3
178.05119	13.4
178.06616	0.5
180.06697	2.1
190.05106	2.4
230.99498	0.9
286.00775	1.4
286.98337	1.0
287.01843	0.8
314.10358	89.9
314.97797	1.5
315.01160	1.5
315.10724	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	315.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.6
61.98834	5.6
67.64793	1.4
71.01392	3.7
71.25629	2.1
72.99308	6.6
73.02936	2.6
83.06192	1.2
101.00957	3.5
117.00448	30.9
118.00555	2.4
119.00204	3.9
129.00443	2.9
131.08289	12.0
141.99983	1.3
143.00154	2.0
143.02000	1.7
143.99754	4.5
144.97481	3.6
144.99947	77.0
146.00072	4.3
159.01509	36.7
159.02765	2.5
160.01659	4.2
161.01259	2.4
168.99997	1.4
170.97858	15.6
170.99323	3.7
171.01514	2.8
171.97952	3.8
171.99297	4.8
172.01039	7.5
172.97641	11.0
172.99434	100.0
173.95030	3.4
173.99159	5.1
184.01070	2.7
185.01212	1.7
186.98363	2.6
187.01003	41.6
187.02664	2.8
188.00896	1.6
196.05814	6.5
200.99130	1.4
201.02498	1.7
215.04170	1.3
231.08379	1.7
238.06865	22.2
255.09506	14.7
259.01767	2.0
261.01416	3.8
314.95203	1.3
314.99216	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	315.015
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
54.27396	0.2
64.86565	0.2
67.13519	0.1
69.26205	1.3
79.12764	0.2
98.21830	0.3
108.02186	0.2
110.12514	0.2
111.97739	0.2
132.02127	0.6
138.60495	0.2
144.02162	0.7
147.00891	0.2
148.01637	0.4
160.01671	1.6
172.01691	1.8
176.01120	0.6
188.01129	1.2
192.00673	0.2
199.78658	0.2
200.01181	3.0
201.01457	0.2
214.99864	0.2
216.00667	4.9
217.00992	0.3
226.99892	0.6
228.00635	0.8
232.00114	0.3
242.99332	2.4
243.85057	0.2
244.00163	3.5
254.99300	0.3
270.98920	1.6
271.99643	1.1
282.98846	0.9
298.98395	1.4
299.99139	100.0
300.99493	6.9
311.20441	0.2
315.01508	49.7
316.01816	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	315.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16358	0.3
64.38545	0.2
70.78975	0.4
70.79327	0.6
76.84363	0.3
84.64603	0.2
95.01366	0.3
96.41208	0.3
132.02164	0.4
144.02153	0.4
148.01660	0.5
160.01675	1.5
172.01711	1.7
176.01228	0.4
188.01221	1.6
200.01186	2.8
214.99861	0.4
216.00682	3.7
226.99860	0.5
228.00508	0.4
242.99352	2.1
244.00159	3.4
270.98895	1.2
271.99759	0.7
272.02783	0.6
282.98804	0.5
298.98395	1.2
299.01624	0.3
299.99149	100.0
300.99509	6.9
307.04568	0.7
315.01508	44.7
316.01807	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	315.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96868	0.2
62.84021	0.2
63.02488	0.5
65.00437	0.7
83.01477	0.5
93.03544	0.2
95.01558	0.4
98.22629	0.4
107.01535	2.1
108.02324	2.1
109.03135	0.2
111.01077	0.2
123.01004	0.6
124.01814	0.9
125.02653	0.3
133.03023	0.4
135.00888	1.8
145.03117	0.3
148.01685	2.7
151.00388	3.4
152.01201	0.2
159.04581	0.4
160.01778	0.3
161.02534	0.4
161.06171	0.4
163.00389	1.3
164.01198	1.4
169.01534	0.4
171.04576	0.4
174.03394	0.3
175.04163	0.3
177.02045	0.5
178.99831	1.5
183.04601	0.3
187.04152	0.5
192.00677	0.5
198.03185	0.4
199.03986	1.4
200.01192	0.4
201.02060	0.8
203.03607	0.6
204.80273	0.3
205.01474	0.4
211.04068	0.6
214.02774	0.6
215.03577	1.4
216.00775	0.4
216.04317	0.4
216.12268	0.2
216.34726	0.3
226.02798	1.1
227.03514	3.9
228.04001	0.2
229.01527	0.9
242.02245	0.6
243.03012	12.9
244.00203	0.5
244.03563	1.0
254.02234	2.3
254.69185	0.3
255.03011	26.5
256.03308	2.0
259.02530	0.8
270.01654	0.4
271.02499	65.2
272.02917	5.3
287.02048	2.2
299.01849	1.6
299.99216	12.5
300.02722	100.0
300.99521	1.0
301.03085	7.7
315.01486	7.0
315.05060	42.4
316.02097	5.6
316.05475	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	315.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
63.02438	0.1
65.00362	0.4
71.17291	0.1
71.27774	0.1
83.01434	0.2
84.05902	0.1
91.01939	0.1
95.01451	0.1
96.96052	0.2
107.01411	1.0
107.05029	0.1
108.01485	0.2
108.02182	2.0
109.03079	0.1
118.24265	0.1
120.02203	0.2
123.00897	0.3
124.01729	0.4
125.02519	0.1
126.59900	0.1
135.00894	1.0
135.04521	0.1
136.28276	0.1
147.00951	0.3
148.01680	2.9
149.02434	0.1
151.00407	1.3
152.01144	0.2
155.05115	0.1
159.04509	0.2
160.01633	0.1
163.00418	1.1
164.01176	1.3
165.01982	0.3
171.04497	0.2
172.05518	0.1
174.03290	0.2
175.04022	0.1
178.99902	0.3
183.04602	0.3
187.04068	0.4
188.04739	0.2
190.99948	0.2
192.00697	0.5
198.03262	0.2
199.04028	1.4
200.01204	0.1
201.01953	0.5
203.03552	0.4
211.03983	0.6
211.46965	0.1
213.01920	0.2
215.03548	1.0
216.00710	0.3
216.04259	0.4
226.02740	1.4
227.03526	3.4
228.03966	0.2
229.01385	0.3
242.02301	0.1
243.03001	12.6
244.00116	0.2
244.03490	1.0
253.01653	0.2
254.02234	1.8
255.03003	27.7
256.03360	2.0
271.02502	59.8
272.02936	5.6
299.02039	1.4
299.99390	6.1
300.02753	100.0
300.99619	0.5
301.03110	7.4
315.01624	3.2
315.05099	37.9
316.02081	0.2
316.05472	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	315.0513
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
59.01386	0.9
65.00033	1.5
65.00333	16.9
83.01390	1.4
89.00346	6.4
91.01902	3.5
93.03468	8.4
97.02954	12.8
98.22652	1.2
99.99176	1.0
107.01395	2.6
107.37586	1.0
108.02177	2.2
109.02952	4.3
121.02974	39.3
139.03981	3.3
148.01718	1.9
149.02441	3.4
149.99582	7.2
151.00391	4.9
161.02463	1.1
163.00388	3.2
164.01146	1.4
165.01950	87.4
166.02225	2.8
192.00703	1.9
193.01450	7.2
207.03061	1.2
216.00702	1.3
227.03464	2.1
228.04189	1.8
229.53186	1.3
229.55449	1.4
242.01982	1.3
243.03079	5.4
244.03810	1.5
255.03040	11.5
256.03629	2.4
259.06116	1.6
269.04736	1.0
271.02509	18.9
272.03055	4.3
283.02396	2.1
287.05643	3.3
299.01764	1.3
299.99130	19.9
300.02734	42.3
300.99478	2.3
301.02853	2.0
315.01529	9.4
315.05103	100.0
316.05466	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	315.0513
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
65.00335	0.6
107.01385	1.0
108.02168	2.2
117.10600	0.3
124.01713	0.5
135.00916	1.3
142.25529	0.4
148.01678	2.6
151.00372	1.2
158.03444	0.3
163.00400	0.8
164.01170	0.9
183.04636	0.4
185.75961	0.3
192.00560	0.4
198.99365	0.3
199.04051	1.5
203.03529	0.4
211.03958	0.5
215.03532	0.9
216.04262	0.8
221.67830	0.4
226.02609	1.7
227.03523	3.3
229.37233	0.3
243.02995	13.0
244.03487	1.0
254.02231	1.7
255.03009	25.4
256.03360	1.6
271.02502	62.9
272.02988	4.5
282.73404	0.4
299.02155	1.7
300.02780	100.0
301.03146	7.4
315.05139	42.9
316.05505	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	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41032	0.4
59.01376	0.4
63.02405	0.5
64.64632	0.3
65.00331	0.7
67.01885	0.8
68.99828	0.6
71.01370	0.5
71.26318	0.3
71.26718	0.5
73.32903	0.3
77.03981	2.0
79.01884	1.0
80.93935	0.4
81.57243	0.3
85.02946	0.7
93.03466	56.3
93.93806	0.4
94.03801	1.3
95.01395	1.4
95.05061	1.0
101.02457	0.5
105.03480	4.1
107.01402	0.6
109.02961	1.5
109.05015	0.4
111.00885	0.6
113.02415	0.4
117.03474	4.0
119.01391	0.5
119.05045	3.1
121.02970	36.8
122.03170	0.6
122.03849	0.5
123.00907	0.4
123.04544	1.2
124.04858	0.6
125.02454	0.9
129.01938	0.4
130.04172	0.5
130.63249	0.4
131.01401	1.5
132.02208	0.4
133.02972	33.0
134.03264	1.8
135.04546	12.4
136.04872	10.1
137.02458	0.5
139.00356	0.6
143.05061	1.0
144.63496	0.4
145.02905	0.5
147.00896	1.2
147.04539	0.6
149.02463	3.1
152.07181	5.2
153.07568	4.4
156.05815	2.2
157.06615	13.4
158.07008	0.7
159.00911	3.0
161.02466	3.1
162.02806	3.6
164.98294	1.3
165.01920	1.1
165.99077	0.6
169.01471	0.8
169.05351	0.4
169.06619	2.3
171.00888	0.4
171.04526	0.7
171.08151	5.2
175.00359	1.6
178.05058	1.4
179.05455	1.5
181.06943	0.5
181.73999	0.4
184.05362	0.4
187.00311	2.3
187.04120	0.6
189.02043	0.4
191.05496	0.4
199.07669	4.3
201.01625	0.4
202.99879	1.9
205.01363	1.0
209.00871	0.6
214.99876	4.1
215.03363	0.4
216.00327	0.4
227.07159	23.0
228.07494	1.0
230.99352	7.0
231.02946	0.5
231.99680	0.6
242.99315	1.6
243.02968	1.0
247.02568	0.5
258.98779	1.3
271.06134	100.0
272.06470	7.6
286.98334	8.1
287.01898	2.0
297.00427	0.6
299.99051	2.2
314.97821	19.6
315.01495	5.9
315.05130	9.6
315.10666	17.1
315.14365	0.7
315.98206	1.8
316.01672	0.9
316.05707	0.4
316.11267	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	315.0514
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.79577	1.7
52.19142	1.6
61.88734	1.7
62.56189	1.8
63.02400	6.9
65.00333	4.2
72.91389	1.8
83.01403	5.7
107.01408	14.7
123.00856	1.9
124.01667	3.5
125.02497	4.0
148.01659	4.4
151.00381	18.2
160.49655	1.8
163.00404	2.4
164.01181	7.1
169.01453	3.0
175.61006	1.6
178.25465	2.0
200.01184	1.8
213.47130	1.8
214.99779	1.6
216.00764	2.4
227.03537	3.5
240.69228	1.8
242.99139	2.5
243.03081	2.8
243.99963	3.0
255.02994	6.6
271.02457	12.9
272.03363	2.1
283.02512	3.8
299.99179	39.6
300.02780	95.2
300.99768	4.2
301.03177	5.6
314.97800	5.2
315.01517	20.0
315.05124	100.0
316.02109	3.0
316.05478	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	315.0876
Annotation	2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01880	0.5
55.93552	0.2
57.03440	1.2
59.01390	1.2
65.00331	1.2
65.03941	0.3
67.01895	1.3
68.99564	0.2
68.99834	2.0
69.03461	2.5
69.19455	1.5
69.19868	0.5
71.01394	0.5
71.05022	0.9
77.03979	0.2
79.01907	0.8
79.05523	0.3
80.02708	1.1
81.03467	20.6
82.03812	0.2
83.01391	7.0
84.02200	0.3
85.02960	0.5
93.03465	7.9
95.01400	0.9
95.05038	23.9
96.05365	0.7
97.02959	7.8
97.06628	0.2
98.03310	0.3
98.22479	0.5
99.04531	10.8
99.19358	0.2
100.04822	0.3
100.34297	0.2
105.03461	1.5
107.01405	1.5
107.05048	0.4
108.02180	1.0
108.74330	0.2
109.02962	1.6
109.06593	0.5
119.01401	0.2
119.05039	12.6
120.05392	0.5
121.02968	3.4
121.06622	0.8
122.03785	2.9
123.00932	1.2
123.04543	20.7
124.01654	1.0
124.04897	0.6
125.02461	26.5
126.02785	0.8
135.00963	0.3
135.04526	1.9
137.02487	1.3
137.06100	22.7
138.03320	0.4
138.06419	0.8
139.04030	6.1
139.32426	0.2
141.05585	1.5
143.05000	0.3
145.02972	0.6
145.06613	0.8
147.04533	4.0
149.02428	1.4
149.06133	0.5
151.00400	1.9
151.04033	0.5
152.01151	0.4
153.01959	0.3
159.00853	0.3
159.04518	0.5
161.02428	0.4
161.06082	0.7
163.04039	0.9
163.07648	0.8
164.04756	0.3
165.01993	2.1
165.05591	12.2
166.02737	0.5
166.05920	0.5
167.03514	59.3
168.03860	2.5
169.01472	0.5
171.04472	0.6
177.01950	0.7
177.05545	0.4
178.99834	0.4
179.03529	0.8
180.04271	0.8
181.05084	2.9
182.05437	0.2
187.04121	0.5
187.07639	0.5
189.05597	8.3
189.07330	0.4
189.99086	0.2
190.02710	0.3
191.03491	0.9
193.01425	0.8
193.05141	0.3
201.05693	0.2
209.04567	26.1
210.04893	1.4
214.99905	0.6
215.03532	0.4
221.04597	2.4
229.05060	0.6
229.08748	1.4
230.99318	0.6
231.02953	0.4
231.06610	1.0
243.03094	0.3
243.10216	0.4
247.09740	0.3
253.05206	0.3
271.02469	0.5
271.09787	1.3
286.98459	0.6
287.02002	1.0
287.09213	0.3
288.02435	0.3
297.00406	0.3
297.03961	0.4
297.07770	0.4
299.99042	0.6
315.01276	3.0
315.08762	100.0
316.01923	0.4
316.09091	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	315.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29128	0.6
59.01385	18.3
71.19071	1.4
83.06164	3.9
83.99420	0.8
91.96936	0.6
97.99732	0.8
108.05685	0.6
111.00534	0.7
113.07278	0.5
117.00457	1.8
126.00497	2.0
131.08278	53.6
132.08583	1.1
141.01579	1.5
141.05167	0.8
143.88722	0.5
150.05275	4.8
153.99971	2.1
154.01129	1.2
156.07765	1.6
165.05220	0.9
171.99556	1.0
172.01042	20.2
173.01157	1.3
173.10442	7.6
178.04800	1.5
183.06248	0.5
185.03085	1.5
192.02696	4.2
192.06306	2.1
193.02841	0.6
194.07899	4.5
196.05800	21.2
197.05965	2.5
211.05811	1.1
212.08852	1.3
214.05690	3.0
216.91907	5.4
229.06609	0.6
231.08374	7.7
232.08855	1.0
238.06860	100.0
239.07004	9.3
255.09521	57.7
256.09698	5.7
273.10556	4.2
314.97000	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	315.1967
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
62.86850	1.2
63.30627	1.3
71.29133	2.0
80.25892	1.5
120.87241	1.4
154.53854	1.4
170.85622	1.4
172.59505	1.4
188.45348	1.5
199.13792	1.4
229.08882	1.9
244.10992	3.0
271.02545	1.7
287.01996	1.5
299.99228	5.0
315.01266	4.2
315.19659	100.0
316.19949	11.8
318.08078	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	316.994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39833	0.2
73.32195	0.2
75.38615	0.3
88.56525	0.3
89.03957	0.3
105.03471	0.6
117.03479	1.3
121.02950	0.3
125.02467	1.1
133.02982	2.3
140.01120	0.3
145.02979	2.1
147.00925	0.3
149.02423	0.6
157.03061	0.3
159.00867	0.6
161.02483	5.3
163.04031	0.9
168.00636	0.4
169.01462	0.7
171.00928	1.4
173.02411	1.3
175.00426	0.3
176.01176	0.3
177.01950	1.0
179.03557	0.5
187.00346	1.9
189.01952	6.3
190.02321	0.4
199.00432	1.2
200.01143	0.5
201.01935	1.1
205.01509	1.7
214.99902	2.0
216.00601	0.7
217.01466	3.6
217.04951	0.3
226.99951	0.7
229.04976	0.3
232.00227	0.4
233.00919	0.9
241.03583	1.0
242.99393	3.2
244.00035	0.5
245.00963	3.9
261.00385	1.0
270.98901	3.7
273.00665	1.8
273.03662	1.5
288.99908	0.7
298.98328	1.8
299.99146	2.4
315.98608	4.3
316.99414	100.0
317.99734	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	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
59.50436	0.8
63.02413	9.0
63.32777	0.8
65.00328	14.8
67.63810	0.8
81.03454	1.8
83.01394	11.7
91.01870	0.9
95.01382	2.8
98.21731	1.8
104.32273	1.0
106.12261	1.0
107.01396	29.6
108.02236	1.4
109.02964	51.5
110.03242	1.0
111.00889	1.3
119.01416	1.3
123.00873	2.6
124.01687	4.2
125.01528	1.7
125.02454	29.9
126.02798	1.7
126.40658	0.9
133.02965	1.3
135.00900	4.1
135.51047	0.9
137.02455	42.5
139.00377	2.0
140.01126	0.9
151.00385	74.0
152.01202	7.7
153.01950	7.7
155.03528	1.2
161.02512	1.4
163.00386	26.0
163.04001	1.6
164.01109	2.8
165.01945	4.5
169.01440	21.8
170.01799	1.2
171.04590	1.4
171.36133	0.8
174.03378	0.9
175.03998	3.0
178.99872	39.3
180.00244	1.9
181.01448	1.2
181.60533	0.8
183.04507	1.7
187.03949	1.6
189.01878	1.6
189.71680	0.9
190.99884	17.2
192.00499	3.2
193.01381	2.3
199.03976	3.1
201.01936	1.2
203.03500	2.5
206.99359	12.0
208.00116	6.8
211.04071	2.0
215.03630	0.9
217.05040	2.6
227.03482	8.5
229.01453	1.9
229.29710	1.2
230.02271	1.0
231.02962	3.3
232.03078	1.6
241.03691	5.1
241.53722	1.3
243.03003	3.2
245.04517	2.7
255.02934	8.8
258.01761	1.1
264.12350	0.9
271.02426	8.6
273.00385	2.0
273.03860	2.1
273.55658	1.0
289.03772	1.4
299.01950	4.8
300.02686	1.1
313.05597	2.4
317.03036	100.0
317.54117	0.9
318.03397	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	317.0303
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
50.04566	0.2
53.39017	0.1
67.01905	0.4
68.99831	0.3
69.03452	0.6
69.56643	0.9
69.57059	0.4
77.03977	1.5
79.01897	0.3
83.01392	1.4
93.03459	1.9
94.14478	0.2
95.01381	0.5
97.02956	3.9
107.01393	0.2
108.14641	0.2
109.02972	1.4
121.02967	5.5
123.00885	1.3
125.02441	0.6
126.85087	0.2
134.73622	0.2
137.02454	25.6
138.02753	1.0
151.00412	0.8
165.01941	100.0
166.02283	3.8
169.01448	0.8
179.23471	0.2
181.16513	0.2
241.03380	0.3
316.99429	0.7
317.02975	5.7
318.03470	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	317.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39754	0.3
59.01377	0.8
63.02401	8.1
65.00328	12.5
81.03461	1.9
83.01392	8.7
84.42369	0.3
91.01939	0.5
98.22576	1.1
107.01400	22.1
108.99300	0.3
109.02960	24.0
110.03300	0.8
111.00936	0.3
120.68000	0.3
124.01663	0.8
125.02462	3.1
137.02455	46.0
138.02812	1.3
151.00378	64.7
152.00708	2.3
155.03520	1.0
163.00415	1.6
164.01187	1.2
165.01927	4.2
169.01434	2.9
175.04056	0.4
178.99873	36.4
180.00224	1.0
183.04523	0.4
190.99924	0.6
191.03600	0.7
192.00668	3.3
193.01402	2.4
199.04109	0.4
203.03522	0.7
227.03549	1.1
245.04555	1.0
255.03027	0.5
271.02469	3.0
286.25281	0.4
289.03543	1.1
299.02057	1.1
317.03030	100.0
318.03378	8.3
326.73569	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	317.0303
Annotation	Myricetin
Peak:m/z	Relative Intensity
57.03447	4.4
63.02398	8.7
63.27905	1.5
65.00318	14.0
68.99795	1.8
69.03485	1.5
83.01386	10.0
91.01908	2.6
95.00867	2.2
95.01383	10.9
107.01399	25.9
108.02213	3.6
109.02960	100.0
110.03288	2.7
111.00879	3.6
112.27349	1.3
119.01456	2.1
123.00871	2.8
124.01668	11.0
125.02458	30.3
126.02811	1.6
133.02899	4.9
135.00868	10.2
137.02423	8.0
139.00423	2.4
147.00795	1.6
147.04555	1.8
151.00380	62.7
152.01195	19.0
153.01945	30.6
159.04526	3.0
161.02441	5.3
163.00383	71.1
164.00999	3.3
168.00638	1.6
169.01451	14.7
175.03993	5.8
178.99878	36.9
181.01375	3.3
182.03793	1.7
183.04524	4.6
185.02461	1.7
187.03996	2.9
189.01979	3.5
190.99878	49.3
192.00237	4.1
199.03972	3.7
201.05579	2.6
203.03490	5.2
206.97554	1.2
206.99365	35.9
207.02950	1.6
208.00104	16.7
211.04019	6.0
217.05020	4.3
227.03510	22.2
229.01349	2.1
230.02121	2.2
231.02994	6.6
241.03506	1.9
245.04439	9.0
255.02971	24.6
256.03293	2.7
258.01633	2.7
271.02591	7.9
273.04044	7.2
281.60132	1.4
299.02023	19.7
316.99530	2.6
317.03027	16.6
318.03384	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	317.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13675	1.5
54.50228	1.7
57.03444	3.2
57.30593	1.7
63.02405	8.9
65.00331	14.0
67.01855	2.1
71.01379	2.6
71.08569	1.6
81.03465	2.1
83.01379	12.4
85.02934	1.8
85.43420	1.6
95.01371	10.8
107.01401	26.1
108.02222	2.4
109.02959	100.0
110.03308	2.5
111.00891	4.6
123.00894	6.0
124.01674	8.1
125.02460	38.6
133.02988	4.5
135.00861	10.5
136.98801	2.2
137.02458	12.8
139.00423	4.4
140.01152	4.2
140.71645	1.7
143.04971	2.1
149.02422	2.3
151.00385	63.3
151.01590	3.9
152.01193	17.9
153.01979	28.7
159.04564	2.7
161.02473	2.6
163.00374	61.6
164.00906	2.9
165.01924	4.1
168.00612	4.1
169.01442	31.4
175.04050	4.7
178.99881	41.0
181.01448	2.8
183.04535	5.7
185.02509	2.0
187.04021	3.3
189.02028	3.2
189.60780	1.9
190.99870	46.6
203.03516	4.7
205.05133	2.3
206.99353	30.0
207.03015	2.3
208.00136	14.6
211.04027	8.1
217.05103	4.3
227.03549	19.2
231.03012	7.7
241.03435	3.7
245.04616	8.0
255.03012	23.8
258.01797	3.3
271.02441	7.1
273.04184	4.6
299.01956	17.0
305.13889	3.1
316.99509	3.9
317.03021	25.9
317.06421	3.0
317.09677	7.3
318.03775	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	317.1034
Annotation	Evofolin B
Peak:m/z	Relative Intensity
51.38978	0.5
67.01898	3.1
68.99821	0.7
69.08475	4.1
69.71970	0.5
70.22680	0.5
74.84061	0.6
81.03450	1.0
83.01382	2.3
95.01396	3.3
98.21774	0.9
107.01385	3.9
108.02183	45.0
109.02991	7.1
109.81137	0.6
111.00894	10.0
121.02962	5.3
122.03761	0.8
123.00896	34.0
123.04537	24.4
124.01694	23.3
124.04849	0.8
125.02487	5.0
128.45665	0.5
135.00822	1.1
137.02406	0.8
138.03264	0.8
139.00392	2.7
147.00891	9.7
148.01707	3.6
149.02409	2.3
151.00389	0.7
153.05582	3.4
162.03255	5.4
163.04036	9.1
168.00578	0.5
169.01436	6.3
172.10405	0.6
194.18973	0.6
229.05042	1.8
241.03427	0.7
257.04538	5.3
261.18137	0.6
271.05969	0.7
272.06943	18.8
273.04108	1.0
273.07104	1.4
287.09268	100.0
288.09637	7.9
316.99341	2.3
317.02707	1.0
317.10315	23.3
317.19803	1.7
318.10629	2.2
319.40137	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	317.1396
Annotation	Zearalenone
Peak:m/z	Relative Intensity
51.09619	0.8
57.14460	0.9
61.98829	1.2
65.00316	2.8
66.23045	0.8
67.01878	1.9
68.99813	2.1
70.79349	1.5
70.79679	1.2
71.01376	3.9
72.99307	2.4
79.62177	0.8
83.01385	3.9
87.00886	2.2
95.01359	1.4
99.00903	1.2
106.00580	1.2
107.01382	1.7
109.02916	1.8
109.44116	0.8
110.00088	2.4
111.00885	22.7
123.00920	1.8
124.01631	7.3
125.02483	5.0
127.00386	8.3
136.98830	17.0
139.00377	21.6
140.01173	36.7
141.01480	1.2
141.22162	1.0
146.40163	1.0
151.00362	2.5
154.99870	3.4
168.00655	54.2
169.01472	6.1
178.99861	1.2
183.67168	1.1
241.03542	1.9
273.14932	3.6
317.03079	2.5
317.13947	100.0
318.14291	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	317.2488
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
53.70840	2.0
62.77780	1.5
64.95512	1.4
70.30072	4.0
81.03473	6.5
84.71194	1.5
122.03798	3.8
125.02516	2.7
135.04570	2.4
193.63229	1.6
196.52266	1.6
270.49716	1.6
275.23828	12.1
316.99429	2.2
317.24887	100.0
318.25204	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	318.9709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56456	1.7
57.03455	4.9
59.01394	2.2
67.01890	2.6
70.77281	4.1
71.01357	2.6
78.95912	10.3
85.02957	24.9
87.00887	39.6
88.98816	4.6
96.96004	3.7
96.96957	2.3
102.50539	1.6
109.19957	1.9
111.00891	100.0
115.78795	1.9
124.21456	1.9
127.00398	2.4
129.01950	4.5
134.04729	6.7
135.83665	2.0
146.89850	2.1
162.89366	51.6
165.85197	1.9
173.00858	5.5
191.01991	84.6
192.02371	3.1
210.50990	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	318.971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69675	2.1
57.03446	6.4
61.98830	16.1
64.82612	2.2
69.78009	12.2
71.01375	6.9
72.99314	6.0
78.95928	3.8
85.02955	24.5
87.00878	40.8
88.98792	4.1
91.97935	2.2
93.41518	2.2
96.96030	3.4
96.96992	3.6
103.23464	2.4
108.90221	3.0
109.59545	2.2
111.00895	100.0
112.01203	3.4
113.02420	2.7
115.00374	5.5
127.02180	2.5
129.01944	6.1
133.01427	6.3
152.95981	5.0
162.89417	2.9
170.96944	3.3
173.00952	4.5
191.02000	82.9
192.02478	2.6
236.57799	2.6
244.90239	4.6
287.02051	4.7
320.06796	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	319.0461
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
56.19393	0.8
57.03452	14.0
59.41911	0.8
65.00333	3.7
69.43151	6.1
78.80884	1.0
81.03460	1.6
83.01395	4.6
93.03487	1.3
96.96039	1.1
97.02911	0.9
107.01387	4.2
109.02951	6.0
111.04534	1.6
119.05008	1.2
121.02969	2.4
123.00893	4.1
124.01679	2.8
125.02462	63.8
126.02750	1.0
137.02473	10.7
139.04048	6.7
145.03058	1.0
147.00887	5.0
149.02412	1.7
151.00385	12.7
152.01151	1.9
153.01967	8.6
155.03461	1.6
159.04523	1.1
161.02480	2.4
164.01161	1.0
165.01965	15.9
166.02722	1.8
167.03511	9.7
175.00403	26.6
176.01106	2.0
178.99867	10.7
181.01489	1.8
183.03020	2.2
187.03992	1.7
190.02757	2.0
191.03526	15.3
192.03918	1.0
192.28935	0.8
193.01439	100.0
194.01749	4.8
205.05096	1.0
215.03534	8.3
229.05022	1.9
233.04576	3.9
239.03421	1.8
257.04602	8.9
291.05005	1.1
301.03574	8.8
302.03674	0.9
319.04568	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	319.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12901	0.7
55.01888	2.2
59.01394	1.8
62.20877	0.7
69.18132	1.7
69.18539	5.6
70.18170	0.8
71.01382	3.2
71.05030	8.6
73.02976	0.8
83.01402	1.0
85.02965	1.8
85.45969	0.7
93.03475	1.0
95.05043	20.4
95.05656	1.7
95.97292	0.8
96.94564	0.9
96.96011	1.9
97.02963	30.0
98.03300	0.8
98.22582	1.4
99.00860	1.0
101.02448	1.2
107.84001	0.8
107.89989	0.7
109.02962	17.4
113.02476	1.0
115.04032	3.1
119.05100	0.8
121.03011	0.9
122.03035	0.8
123.00868	2.1
124.01656	0.9
125.02486	1.5
125.03541	0.9
127.05196	1.9
128.03549	3.5
137.02469	1.9
139.04028	66.0
140.04362	2.1
153.00711	1.5
153.01958	28.9
154.02370	1.0
163.00397	1.1
163.04076	1.1
165.01939	13.0
166.02640	1.5
167.03513	8.9
183.02998	100.0
184.03340	5.3
190.63393	0.8
191.03586	0.8
193.01396	1.6
201.01994	1.0
203.03569	1.4
229.01341	1.1
241.01808	0.8
247.02567	1.5
257.01077	0.9
275.02051	4.5
319.01111	5.1
319.04477	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	319.046
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
52.59137	1.0
59.01381	2.2
67.01897	1.5
71.01389	2.1
80.91355	1.1
92.90453	0.9
93.03438	2.5
95.01400	1.5
96.96019	21.7
109.02967	2.0
119.05035	2.6
123.00900	2.2
124.01677	1.7
125.02456	3.5
136.07698	1.6
137.02475	2.1
138.05624	4.0
139.04013	1.9
149.02467	1.2
161.02426	1.3
163.04057	3.7
167.03511	11.4
173.06044	2.0
177.01898	1.5
185.06032	1.9
187.03891	1.5
189.01936	3.7
190.02692	3.8
192.00647	8.5
193.01390	4.7
201.05569	6.7
202.99878	1.5
203.03548	2.1
203.07095	1.7
204.04247	1.2
214.02850	1.3
216.04135	1.4
218.05998	1.4
219.06572	6.4
220.00143	1.2
221.00923	8.6
222.01472	1.8
227.03442	1.3
229.05122	9.9
231.06590	5.5
242.02467	1.2
246.98798	1.2
247.06047	8.1
257.04572	18.9
258.04987	1.7
273.04013	2.6
275.05652	48.4
276.05838	3.5
283.07187	1.2
291.13123	1.2
319.04608	100.0
319.21420	1.3
320.04990	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	319.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87394	1.3
52.18253	1.6
55.01865	2.0
57.03443	5.2
69.03466	1.7
71.05033	10.5
71.06242	1.4
71.06572	2.8
74.39309	1.5
75.15891	1.6
83.01357	2.1
95.05032	20.2
96.96030	5.3
97.02963	30.5
109.02958	17.9
115.04028	4.6
119.05026	1.9
121.02980	2.1
123.00900	4.7
124.01678	3.3
125.02451	19.8
137.02449	5.9
139.04028	71.6
140.04375	3.2
144.94595	1.5
149.02484	1.9
151.00377	3.5
152.94167	1.9
153.01964	31.3
165.01915	16.8
166.02477	1.6
167.03522	15.7
167.04848	2.6
175.00397	5.1
178.99878	5.0
183.02997	100.0
184.03397	5.0
191.03473	4.5
193.01404	30.3
201.33850	1.5
215.03484	2.6
257.04584	1.8
269.62448	1.7
275.02106	3.2
281.16400	1.6
287.40707	1.6
301.03574	3.2
319.00867	2.7
319.04471	3.0
327.58914	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	319.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
64.95271	0.8
66.04067	0.6
71.18916	1.2
74.76465	0.6
76.67692	0.6
79.95733	1.4
83.01362	1.0
96.96021	100.0
103.22764	0.7
109.02950	0.9
115.05587	0.8
119.05020	1.1
121.03011	0.8
123.00922	1.2
124.01588	0.8
125.02449	3.0
127.05152	1.4
128.03583	0.8
143.05042	1.6
145.03006	1.4
145.06195	0.8
146.06114	0.9
155.05006	0.7
157.06596	0.8
159.04514	1.9
161.02419	0.7
161.06100	1.2
165.01935	1.2
167.03510	3.8
167.04865	1.1
169.01474	1.6
169.02881	0.7
170.01906	0.7
171.04601	0.8
173.45917	0.7
175.03952	1.1
177.02020	0.7
177.05658	0.8
181.03847	0.6
182.03763	0.8
183.04509	2.8
185.02362	0.8
185.06076	0.7
187.04028	2.7
190.02719	0.9
191.03580	3.3
193.01366	1.3
197.02483	0.8
201.01860	1.2
201.05478	0.9
203.12157	0.7
211.04022	4.5
213.10387	1.1
214.02705	1.4
215.03499	11.4
217.01474	1.2
219.06537	0.8
229.01440	1.8
229.05098	1.6
230.02115	0.8
231.02914	1.3
233.04570	6.6
239.03618	2.0
245.04175	0.7
255.03229	0.9
257.04639	4.4
258.01755	0.9
279.89871	0.7
283.02274	1.3
301.03540	17.6
302.03836	1.4
302.15240	1.0
319.00925	2.1
319.04739	12.8
320.16187	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	319.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23025	0.1
59.01380	0.5
60.98979	0.1
69.59563	0.8
79.95736	1.3
96.96021	100.0
97.95953	0.4
179.07185	0.4
235.80980	0.1
239.09247	0.2
319.04922	7.1
320.05307	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	319.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16386	0.2
59.01376	0.8
68.85281	0.2
69.73443	0.4
69.73848	0.7
71.01367	0.2
72.43513	0.2
77.54199	0.2
79.95747	1.4
96.96024	100.0
97.95938	0.3
119.41792	0.2
125.02460	0.3
142.83112	0.2
146.43628	0.2
146.75073	0.2
165.17612	0.2
168.65176	0.2
169.01482	0.3
179.07176	0.4
247.02518	0.2
275.02069	0.5
319.04950	6.2
320.05255	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	319.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59657	1.7
55.01865	1.9
57.03450	12.6
59.01382	14.4
60.99308	1.9
61.98833	4.8
69.79858	5.7
71.01393	5.4
72.99316	6.4
78.95911	21.9
83.01414	1.5
84.02166	4.2
85.02959	100.0
86.03319	2.1
87.00906	5.0
88.98803	9.8
92.92831	1.6
96.04599	2.2
96.96008	3.6
96.96970	11.2
97.03018	1.6
97.92594	1.4
99.00893	1.8
101.72834	1.3
103.00390	2.3
106.36361	1.4
108.90189	10.5
110.45254	1.3
129.01970	2.6
135.03073	1.9
142.97554	1.5
147.03024	5.5
152.95992	4.2
152.99638	6.3
156.99136	7.2
171.00655	3.3
184.00226	5.6
191.02010	61.0
191.05620	33.7
191.07359	2.0
192.02292	2.6
196.16525	1.3
210.96553	3.0
228.97578	3.0
229.01221	2.5
244.97151	3.0
245.04500	9.6
245.53302	1.3
247.02293	3.6
279.50769	1.5
283.10352	5.9
291.01291	2.0
295.76846	1.4
319.08102	4.6
319.93527	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	319.0823
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
54.70362	0.7
60.02702	0.6
64.99780	0.7
65.03961	1.2
66.93473	0.7
69.79471	1.3
69.79872	2.6
71.78238	0.8
73.02956	2.1
81.03448	2.5
83.05019	4.6
89.51216	0.7
93.03467	39.6
96.96048	1.4
109.02956	1.1
111.04527	13.1
117.03468	7.8
119.05039	100.0
120.05383	3.2
128.03537	1.6
137.02458	26.6
138.02777	1.2
140.52182	0.7
145.02966	22.0
146.03313	0.9
155.03522	20.1
156.03831	1.0
163.04022	99.8
164.04366	4.0
169.91179	0.8
173.04576	2.6
177.10341	0.9
201.05533	0.9
219.19179	0.7
245.93973	0.7
275.01938	1.1
307.79056	0.8
308.47440	0.8
319.08267	10.3
339.47833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0826
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
55.01915	0.7
59.01385	3.0
65.03971	1.1
71.01386	2.9
73.02962	2.5
81.03485	2.0
82.66255	0.7
83.01378	0.7
83.05035	6.1
85.02957	1.5
89.02462	1.7
93.03466	36.1
94.03796	0.9
95.01411	0.8
96.96036	1.4
98.22602	1.5
98.60883	0.6
99.00877	1.2
101.02438	0.7
109.02950	1.0
111.04529	12.2
113.02461	0.9
117.03487	7.4
119.05042	100.0
120.05384	2.8
137.02460	28.7
138.02814	1.0
145.02969	23.4
146.03363	1.1
155.03522	20.4
156.03850	0.9
161.04494	0.7
163.04027	99.0
164.04366	4.0
173.02585	0.6
173.04564	1.6
189.01935	1.1
191.03520	1.4
201.01923	0.8
203.03496	1.1
229.01294	0.9
247.02528	0.6
275.01807	3.0
310.22269	0.7
319.00568	1.4
319.08209	12.9
319.17578	1.5
319.21164	0.8
320.08594	0.8
339.16183	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	319.228
Annotation	16R-HETE
Peak:m/z	Relative Intensity
54.34995	1.2
54.70736	1.3
55.30972	1.3
58.37344	1.2
59.35662	1.2
69.90898	6.3
75.13918	1.4
79.95748	3.3
80.44041	1.3
85.56641	1.3
88.12867	1.3
93.85176	1.3
98.22068	3.0
101.59976	1.8
111.04541	2.4
118.71995	1.5
125.20898	1.2
127.82516	1.4
138.02312	1.8
163.47031	1.3
183.51630	1.5
211.13370	1.3
273.22244	9.9
274.22513	1.7
301.21652	12.0
319.03098	2.1
319.22803	100.0
320.19089	7.6
320.23166	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	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01389	5.2
63.81636	4.1
69.40984	3.4
70.70387	7.4
75.31577	3.4
77.61700	3.0
82.51714	3.4
96.86153	3.3
127.49853	3.7
144.69612	3.2
228.60585	3.3
257.22836	21.5
271.21060	3.4
273.22290	9.8
275.23697	4.5
319.03000	4.1
319.22791	100.0
320.22949	7.0
341.95511	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	319.2282
Annotation	6-Oxocativic acid
Peak:m/z	Relative Intensity
53.06639	1.7
53.85219	1.6
57.01650	1.6
59.01368	2.3
60.99308	3.1
65.34834	1.7
66.18601	1.4
71.05019	5.9
80.36930	1.6
104.84325	1.8
111.35631	1.9
148.88538	1.8
171.04083	1.5
189.12778	2.4
199.97192	1.5
259.20786	2.1
273.22272	16.9
275.21106	2.5
275.23843	22.6
276.24127	2.1
293.25006	2.6
319.22784	100.0
320.23129	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	320.0922
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
54.57402	0.8
56.51376	0.7
58.02957	0.9
58.42544	0.8
59.01370	1.7
62.44525	0.8
62.86010	0.8
66.95132	0.7
67.31644	0.8
69.08952	3.5
69.09375	3.6
70.02972	1.5
70.94052	0.7
72.00913	1.0
72.05839	0.7
74.02473	1.3
81.04566	2.3
82.02994	2.6
84.00926	3.9
84.04581	2.0
87.35538	0.7
89.02449	0.9
97.04065	3.6
98.02483	1.9
99.05636	0.9
100.68665	0.8
109.04044	2.1
110.02516	1.0
113.03564	3.0
125.03578	36.0
127.05149	49.3
128.03552	100.0
129.03923	2.2
145.06213	6.3
157.06189	10.6
159.02342	1.4
159.07738	7.8
181.06233	1.1
191.04974	1.6
193.06197	1.6
202.99988	1.1
210.08846	13.5
224.06779	1.2
230.99297	1.7
236.06833	1.8
242.11459	2.6
258.98917	1.2
268.09442	3.0
286.10492	8.9
320.09232	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	320.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98932	1.2
70.95751	1.9
70.96095	1.2
71.01401	1.1
74.84684	1.1
75.12442	0.9
82.02561	1.0
82.02991	4.4
84.04544	2.0
101.07219	2.6
109.04099	5.7
121.10992	1.0
127.05155	46.9
128.03546	10.7
131.04996	1.4
145.06204	36.8
146.06125	24.8
147.04472	1.5
147.06543	1.2
172.07707	2.5
186.09262	2.4
192.10437	1.7
207.86186	1.0
213.08282	2.1
213.10350	40.1
214.08792	2.3
214.10736	2.7
231.11392	32.3
232.11777	1.2
242.10764	1.1
245.81871	1.0
257.09302	3.9
276.17230	2.1
302.15131	40.8
303.15604	2.2
320.16202	100.0
321.16571	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	321.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.5
68.99819	16.4
71.01383	32.7
83.01396	28.3
85.02969	13.0
85.17326	5.5
87.00890	21.6
87.32139	4.4
89.02447	13.7
93.03476	36.0
96.99327	6.6
98.21704	6.9
99.00912	10.6
101.02445	7.4
107.20123	5.6
107.44458	5.0
109.02964	6.1
110.00033	5.8
111.00927	14.7
113.02460	12.6
115.00418	38.2
117.03522	12.7
119.03571	6.1
119.05036	76.8
127.00379	43.0
129.98515	5.1
132.52600	4.6
133.06598	66.3
139.00397	19.8
143.05011	6.8
145.02971	28.3
145.06654	11.6
147.04506	24.0
149.06104	16.7
157.01428	38.6
157.06578	14.6
159.04558	11.4
160.05347	9.4
161.06151	23.9
163.04019	30.5
171.04475	7.5
173.06079	32.9
174.06889	5.1
175.02496	61.5
175.07680	25.1
177.05557	23.5
185.06065	31.2
187.03989	5.4
189.05588	14.1
193.05034	6.2
201.05629	14.7
203.07155	100.0
204.07581	5.9
205.04927	5.7
215.03738	5.4
215.07140	20.1
217.05150	21.7
219.06731	5.7
221.04567	62.1
226.32854	5.0
229.05077	22.9
259.06204	6.3
261.04077	16.0
276.94238	5.2
277.07159	14.6
291.05090	60.2
292.05219	5.9
303.05212	7.6
321.06238	64.8
321.15579	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	321.1346
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
67.63714	0.7
104.98109	0.8
123.04533	1.0
137.02423	1.7
151.03993	3.1
152.04829	8.2
159.04607	1.1
163.04330	0.8
166.02734	3.0
177.05595	23.3
179.07106	1.8
184.73914	0.7
188.43214	0.7
191.07156	2.8
192.07933	10.7
192.09511	1.3
209.00911	2.6
259.13281	1.0
277.14462	9.9
278.14713	1.2
321.13452	100.0
322.13864	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	321.1347
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
57.29718	0.5
57.77112	0.4
59.01388	0.6
59.98991	0.4
65.00328	1.9
67.01885	1.8
68.99818	1.2
69.49227	1.7
69.49643	1.3
71.01398	2.2
72.99306	2.8
77.19778	0.4
83.01398	3.5
87.00882	1.5
95.01387	1.0
95.16920	0.5
96.99318	0.8
98.21816	0.5
99.00891	1.2
106.00580	0.6
107.01472	0.7
110.00085	2.6
111.00891	16.2
123.00893	0.9
123.96659	0.6
124.01636	5.4
124.02371	0.5
125.02465	3.5
127.00394	6.9
136.98822	11.7
136.99861	0.7
139.00385	15.0
140.01169	30.0
141.01573	0.9
151.00381	0.6
154.99866	3.0
168.00655	37.1
169.01425	6.0
171.69183	0.5
178.06337	1.6
237.11938	0.5
247.13393	0.6
260.48383	0.5
277.14575	2.3
291.12436	7.6
321.13437	100.0
322.13715	7.3
324.27402	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	321.1345
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
55.01895	1.7
65.00319	1.9
67.01893	1.3
69.03107	14.6
70.47076	1.3
71.01368	4.2
71.76912	1.5
72.99294	3.1
76.25019	1.3
87.00904	1.6
87.02245	1.5
96.96032	1.7
110.00116	2.1
111.00877	14.2
124.01678	5.9
125.02464	15.0
127.00391	7.3
136.98840	10.6
139.00395	17.5
140.01183	26.1
154.82959	1.5
168.00662	30.6
169.01474	14.1
186.17377	1.5
270.54318	1.4
277.14459	3.4
286.65201	1.4
321.13446	100.0
322.13861	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	321.1347
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
50.91973	1.6
51.59970	1.6
53.72285	1.5
59.01376	2.7
65.00304	2.9
69.10249	7.7
69.10667	9.4
71.86146	2.0
72.99316	2.8
83.01393	3.0
90.22637	1.8
94.13715	2.2
96.99323	2.7
98.21809	4.6
98.22462	4.4
110.00134	3.5
111.00901	19.3
115.05766	1.9
117.73380	2.2
124.01710	5.8
125.02431	3.0
127.00385	8.9
136.98808	14.4
139.00385	17.3
140.01175	36.3
154.99855	2.3
168.00653	38.9
169.01390	4.7
228.03461	2.2
239.42618	2.1
260.23587	2.2
277.14377	3.0
321.13446	100.0
322.13782	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63911	0.9
59.01386	100.0
70.83209	1.1
71.01389	3.3
71.27227	1.9
86.61148	0.9
89.02448	5.0
96.96021	2.5
113.02498	1.2
119.03516	1.0
128.03564	1.1
163.00414	1.4
167.90759	1.0
224.66321	1.0
254.78618	1.1
257.64966	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22935	0.8
55.01870	0.9
57.03447	2.2
58.00607	4.2
59.01387	100.0
60.61926	0.7
69.39565	3.7
71.01390	54.5
71.36894	0.9
72.99303	3.9
73.02948	2.3
73.13366	0.8
83.01394	2.6
85.02961	11.3
87.00890	1.7
89.02456	57.4
90.02794	1.0
95.01400	4.2
96.96022	0.8
99.00880	1.0
101.02457	32.8
101.03125	1.8
113.01733	1.6
113.02464	19.9
113.03636	0.8
113.09707	1.6
119.03511	28.2
125.61067	0.8
131.03522	1.4
141.09221	8.3
143.03503	1.2
149.04541	1.5
159.10327	4.0
161.04518	1.5
169.01433	0.9
179.05611	1.9
188.82764	0.9
245.00954	1.0
299.32819	0.9
313.54791	0.9
321.15567	78.4
322.16013	6.4
329.14670	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	321.2075
Annotation	Rapanone
Peak:m/z	Relative Intensity
52.01394	0.9
59.01386	100.0
61.98821	3.5
70.53546	0.8
70.95182	1.4
71.73689	0.9
87.82216	1.0
109.08295	1.1
127.37165	0.9
162.91121	1.1
195.41292	0.9
248.96570	0.9
252.84137	1.2
277.18140	1.0
321.20721	43.8
322.21127	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	322.0936
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.01865	1.9
57.03444	1.8
58.00592	3.6
59.01385	100.0
62.25846	1.5
67.19049	1.6
69.10326	12.6
71.01390	63.1
72.01728	1.6
72.99306	5.9
73.02952	2.3
77.53284	1.6
80.55633	1.7
83.01399	3.2
85.02950	12.4
87.00903	2.5
88.63521	1.8
89.02456	68.7
89.70734	1.7
95.01408	3.9
96.96027	2.2
99.00856	2.2
101.02454	32.6
113.02457	24.4
116.05083	42.3
117.05419	2.4
119.03520	21.9
120.97914	1.8
125.02411	5.1
131.03496	2.7
135.04520	2.4
143.03528	4.0
149.02422	2.3
151.00343	1.7
160.04051	71.2
161.04488	5.2
163.00456	1.9
165.01921	4.4
169.01439	3.9
170.01714	3.1
175.04054	2.4
177.01924	3.4
179.05580	2.7
193.01456	7.0
194.93669	1.6
202.03395	2.7
202.05153	33.3
205.01437	3.3
210.50217	1.8
221.00990	5.1
232.06134	5.1
247.02330	2.1
249.00391	6.8
262.07245	50.4
263.07465	2.2
264.02744	8.2
279.05167	9.2
296.60419	1.9
313.06210	1.5
322.05563	3.2
322.09360	52.5
323.04001	10.6
323.09805	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	322.2027
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02974	2.1
70.10944	0.6
73.71454	0.3
81.03453	0.3
95.05035	0.6
97.06602	0.5
98.22002	0.4
109.06624	0.5
128.10838	7.7
129.10135	0.2
130.08755	100.0
131.09097	2.8
165.12859	1.0
172.09912	0.3
300.24762	0.3
322.20255	26.8
323.20651	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	323.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20967	1.3
59.01385	14.9
67.63534	1.3
71.01406	2.8
71.27057	2.8
73.02948	8.2
77.34286	1.3
79.71893	1.3
79.93984	1.4
89.02444	1.6
96.96014	2.4
107.01418	3.8
109.03037	1.7
111.00841	1.4
119.05051	5.0
121.02970	4.1
122.29795	1.3
123.00879	4.3
124.01640	1.5
125.02448	12.5
128.98212	1.6
129.91718	1.2
131.05092	3.0
135.04492	1.9
137.02455	1.8
140.01057	1.6
147.04553	7.2
149.02446	6.1
159.04550	9.1
161.02496	5.3
163.04047	1.4
168.00710	2.7
169.01463	16.7
173.02403	1.5
175.04013	21.1
177.01933	25.6
178.02539	1.4
178.59128	1.4
183.03017	3.4
190.02817	1.6
191.03542	5.9
192.00732	2.1
193.01451	6.3
201.01868	1.4
203.03506	26.6
204.04065	3.0
205.01436	32.3
206.01921	2.0
219.03027	5.7
220.03767	4.8
235.06158	6.1
241.03664	2.1
247.02502	100.0
248.04657	2.5
264.02856	2.1
279.05124	99.3
280.05450	5.4
284.57455	1.2
286.10934	1.5
287.71808	1.3
322.98236	2.2
323.04175	20.2
323.07928	2.3
324.04779	2.1
334.10815	1.6
336.32428	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	323.0775
Annotation	Skimmin
Peak:m/z	Relative Intensity
57.03440	3.1
59.01385	21.1
59.94032	0.9
61.32871	1.0
61.74961	0.8
63.02394	2.5
65.00323	3.6
66.57430	0.9
69.03452	1.5
69.53568	4.1
71.01389	18.7
72.99314	5.6
73.02939	2.2
78.77950	1.0
83.01384	6.7
85.02963	6.8
86.08510	0.9
87.00890	3.0
89.02460	8.4
91.16983	1.0
95.01386	2.8
99.00899	2.3
101.02458	14.4
102.89429	0.8
107.01410	13.7
107.05041	1.9
109.02959	1.3
113.02473	7.1
116.28107	0.9
119.03499	3.3
119.05029	1.1
121.02972	2.0
123.00887	3.3
123.04520	1.4
124.01665	9.2
125.02466	32.4
129.09273	1.0
130.21396	0.8
131.05028	2.2
131.81192	1.0
133.03000	1.8
133.06572	1.5
135.00978	0.9
135.04565	1.6
136.01727	2.0
137.02428	1.1
139.00357	2.1
139.04016	4.7
143.04985	1.1
143.26439	0.9
145.02943	1.7
147.04501	1.4
149.02466	3.3
151.00378	22.5
151.03972	1.2
152.01163	13.2
153.01807	0.9
159.04442	1.3
161.02431	3.6
161.04567	5.2
161.05954	1.2
161.11809	2.3
163.00410	1.2
163.04089	1.2
164.01169	2.5
166.02637	1.5
168.00626	4.0
169.01463	8.1
173.06042	2.9
175.03995	2.5
177.01952	11.3
177.05537	1.3
178.02541	1.4
178.99889	29.5
179.03447	2.0
183.03049	10.6
185.06088	2.1
189.01939	2.1
190.02737	2.1
191.03479	3.4
193.01537	1.3
201.05624	2.2
202.18343	1.0
203.03540	4.7
205.01447	14.0
205.05107	1.8
206.02223	39.6
207.02710	3.2
208.03761	1.5
210.01549	1.1
211.04086	2.4
217.05075	43.3
218.02229	7.5
218.05424	2.6
219.02994	11.2
219.06526	1.2
220.03780	4.6
221.04588	5.2
229.05067	9.0
231.06616	1.7
233.04573	15.2
235.06117	2.6
247.06071	7.0
248.94325	0.9
261.07599	1.8
262.04874	2.1
263.05655	1.7
266.05722	1.0
273.04083	5.5
277.07214	13.6
278.07642	1.2
279.08755	2.1
290.04382	1.4
291.05142	7.5
305.06674	4.9
308.05478	1.2
313.05673	1.9
323.07761	100.0
324.08231	8.4
325.58484	1.0
341.08746	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	323.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.00591	1.6
59.01385	43.4
61.39651	0.6
61.45352	0.6
71.01388	11.3
72.00916	0.9
72.99318	3.6
74.02484	1.0
82.02990	5.5
83.01415	1.0
84.24203	0.6
85.02971	2.0
87.00878	0.9
89.02459	10.3
90.02811	0.6
92.05083	9.8
98.02487	1.8
98.06123	0.9
99.00880	0.9
101.02458	9.2
103.51678	0.6
104.03552	7.7
107.01428	1.5
114.81349	0.7
119.03523	2.6
122.51853	0.6
124.04052	2.3
125.02466	3.8
130.06638	1.8
136.04053	7.7
139.04065	1.3
142.05103	1.5
145.07719	0.9
146.04903	1.5
147.04547	0.7
156.03076	1.1
159.04459	0.9
160.06453	15.5
161.07217	72.5
162.07556	2.8
169.01437	3.3
174.05641	3.8
175.04001	2.1
175.08780	46.3
176.09084	1.9
186.04070	5.1
187.08754	1.3
189.06712	100.0
190.07033	5.8
191.03423	0.7
203.08278	41.9
204.08571	1.9
218.04561	4.8
229.09782	0.9
247.02441	2.0
248.04225	1.1
279.05554	0.8
282.76111	0.7
295.13004	1.6
302.03754	0.7
305.11398	2.5
317.03326	0.7
323.08746	2.6
323.12473	27.1
323.16373	1.5
324.12747	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29980	0.9
55.01878	1.4
57.03445	2.2
58.00583	4.5
59.01384	100.0
60.01704	1.7
69.66365	3.4
69.66778	2.0
71.01388	48.8
71.07959	1.2
72.99297	2.9
73.02921	1.1
83.01398	2.2
85.02974	12.0
85.90860	1.2
87.00871	2.7
89.02454	62.3
95.01398	4.1
98.22490	1.4
101.02448	30.8
113.02455	17.2
119.03516	27.0
125.02440	3.5
131.03490	1.9
143.03491	3.3
147.02919	1.3
149.04532	1.8
161.02443	1.2
161.04602	2.0
161.08192	1.8
169.01454	3.7
179.05617	2.6
188.46349	1.1
191.49149	1.1
203.03548	1.3
211.27054	1.2
247.02562	2.5
323.13498	75.1
324.13843	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
58.00594	3.1
59.01384	83.4
60.01723	1.3
69.93390	3.2
69.93784	2.2
71.01389	42.6
71.71732	1.1
72.99311	2.8
73.02944	1.6
83.01398	2.2
85.02942	10.8
87.00898	2.2
89.02454	54.8
95.01404	3.3
98.92590	1.2
101.02449	28.4
101.03104	1.7
113.02461	17.6
119.03518	29.7
125.02443	2.7
127.34015	1.2
131.03473	1.7
143.03513	3.5
149.04558	2.7
161.04526	2.2
165.51027	1.2
169.01440	1.5
179.05638	3.8
323.13489	100.0
324.13770	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
55.89489	0.7
57.03450	1.6
58.00599	4.8
59.01385	100.0
60.01705	0.8
69.35724	3.9
71.01388	47.8
72.99313	4.4
73.02957	0.9
83.01402	3.0
85.02956	12.0
87.00877	1.7
89.02452	61.2
95.01411	4.1
98.22645	0.9
99.00890	1.0
99.08182	1.1
101.02451	32.8
107.01381	1.3
113.02460	17.7
119.03519	31.1
123.00918	1.7
125.02492	5.2
131.03485	2.0
133.02971	0.8
140.01131	0.9
143.03514	2.9
143.07182	1.1
149.04594	2.1
151.00368	0.9
161.02388	1.0
161.04562	1.7
161.08200	1.3
169.01433	6.8
175.03978	1.3
179.05627	3.3
191.03508	2.0
203.03534	0.9
247.02588	4.4
322.52194	0.8
323.13492	83.0
324.13977	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	323.1503
Annotation	15-Acetoxyscirpen-3,4-diol
Peak:m/z	Relative Intensity
57.33190	0.6
59.01385	4.7
71.01373	1.7
71.26839	0.8
81.03452	0.8
83.01388	1.0
87.73705	0.7
95.01405	1.0
99.00845	0.7
111.00909	6.6
123.00908	2.9
124.01708	3.3
125.02471	10.2
127.00417	2.7
136.98804	5.1
139.00394	6.2
140.01180	11.8
151.00348	1.0
153.55539	0.7
157.72519	0.7
168.00647	6.9
169.01436	7.2
181.01468	2.8
235.91925	0.9
237.07761	0.9
243.21931	0.8
251.09468	0.7
293.14020	7.5
323.15024	100.0
324.15341	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	323.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53680	2.4
59.01392	5.8
61.98834	4.2
65.54784	2.1
67.01042	2.1
70.76374	2.6
70.76704	4.2
79.31413	2.0
86.69093	2.1
158.86084	2.2
165.09190	3.0
193.56902	2.4
261.22162	4.0
305.21249	100.0
306.21683	10.1
323.22260	19.8
324.22635	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	323.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.2
59.01371	4.3
70.13492	4.9
70.13825	1.4
71.90647	1.4
84.30135	1.2
87.20374	1.4
96.96037	1.3
98.21832	1.5
98.91811	1.6
107.05070	2.1
125.09760	2.6
159.54010	1.3
165.12891	7.8
193.12239	1.4
199.46907	1.5
241.40994	1.5
247.20570	3.2
256.08395	1.2
259.49808	1.4
273.18622	3.9
291.19693	100.0
292.20013	8.1
305.21362	1.4
308.19849	4.9
323.22296	80.4
324.22684	9.8
336.21857	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	323.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92521	1.0
53.85971	0.9
59.01383	4.8
60.64091	1.1
90.39583	1.3
96.96049	1.6
98.21721	2.3
102.14751	1.7
111.18727	1.4
112.46635	1.2
137.06151	1.4
165.09236	2.0
204.10281	1.9
207.13986	1.2
217.15977	1.3
261.22205	4.4
305.21252	100.0
306.21555	10.7
323.22318	23.6
324.22659	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	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.2
61.98850	3.9
69.03458	1.8
71.01387	4.4
71.01694	0.7
71.24873	1.1
72.99286	1.3
73.02938	3.0
76.08034	0.8
79.01913	1.6
81.03450	2.2
83.01380	1.2
83.05033	4.8
85.02950	2.1
88.98827	0.7
89.02415	1.8
93.02885	1.8
93.03465	26.0
94.03779	1.0
95.01369	0.9
96.98015	0.8
97.02975	0.9
99.00900	1.9
99.04519	2.1
101.02477	1.9
102.62340	0.7
107.01404	9.3
109.02983	1.0
111.00832	1.4
111.04534	10.9
113.02443	1.6
113.76353	0.7
119.03518	1.0
123.00883	5.0
124.01660	3.0
125.02460	75.7
126.02740	1.9
127.00257	0.8
131.76208	0.7
133.01407	1.1
136.98779	1.5
137.02451	6.7
139.00359	3.2
140.01146	3.6
141.11922	0.7
145.05075	1.8
150.88739	0.8
151.00352	1.5
155.03497	4.9
163.06151	1.1
168.00647	12.7
169.01443	100.0
170.01755	4.0
173.04559	3.4
184.49429	0.7
193.03560	1.4
201.05594	1.1
222.43709	0.8
325.05621	50.2
325.11133	5.6
326.06012	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	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38498	0.5
67.01887	1.2
69.03454	1.3
69.64188	3.2
71.01388	1.2
81.03455	1.9
83.05029	4.6
93.03467	24.6
95.01414	0.9
96.20396	0.6
97.02966	0.6
107.01398	7.0
111.00875	1.7
111.04538	10.8
112.70799	0.6
115.93047	0.6
122.37361	0.5
123.00915	0.8
124.01682	3.2
125.02457	63.6
126.02769	1.8
126.82111	0.5
127.00423	1.0
130.51987	0.6
136.98813	1.0
137.02449	5.9
139.00375	2.3
140.01164	2.3
155.03522	6.7
167.99240	1.0
168.00656	17.0
169.01436	100.0
170.01808	4.0
173.04564	2.5
201.05566	1.0
237.07524	1.1
243.34068	0.6
325.05704	9.9
326.06003	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	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.4
61.58499	0.9
69.62792	1.0
71.01421	1.4
93.03484	1.7
97.02991	0.9
98.22557	1.6
99.00890	1.6
103.79868	1.0
109.02939	2.2
117.03492	1.7
119.05039	100.0
120.05367	3.9
121.03082	1.1
123.00933	1.4
123.04509	2.2
125.02464	5.7
137.02455	1.2
145.02998	6.0
163.00363	3.5
163.04028	70.6
164.04361	3.7
165.01874	1.2
169.01427	5.4
175.03920	1.1
193.04987	1.1
203.07227	1.0
205.05013	1.3
213.78278	0.9
245.08119	1.6
266.44513	1.0
289.07208	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51391	0.7
57.60914	0.6
66.58210	0.7
69.41084	4.3
69.42137	0.6
75.19686	0.7
82.89749	0.6
93.03448	0.9
95.48619	0.6
97.02965	1.0
109.02956	3.0
110.12413	0.7
117.03455	1.2
119.05041	100.0
120.05378	3.9
123.00876	1.4
123.04552	1.5
125.02457	5.0
125.57215	0.8
134.03754	1.0
137.02464	1.9
145.02959	3.6
149.02498	1.4
151.04018	0.8
153.01891	0.8
162.14754	0.7
163.00415	2.1
163.04028	71.4
164.01312	1.2
164.04387	4.1
165.01880	1.0
169.01476	3.6
193.05005	0.9
205.05077	1.4
245.08174	1.6
289.07172	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	325.166
Annotation	Dihydrobotrydialone
Peak:m/z	Relative Intensity
54.04724	0.7
61.98810	1.2
69.96423	3.4
78.01129	4.8
80.73746	0.8
84.99322	1.1
96.99335	4.5
99.92630	1.0
112.98829	0.8
116.92825	0.8
124.98813	2.4
125.99617	3.2
130.16302	0.7
137.99641	1.4
139.00395	6.1
140.98280	1.4
160.84245	1.4
195.17528	2.6
197.19188	3.0
219.17557	17.1
220.17757	1.3
225.18452	1.3
251.16498	0.9
279.16092	4.3
281.17609	100.0
282.17905	8.0
307.15503	1.6
307.19080	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01370	2.3
69.03448	1.3
70.98257	3.1
71.01380	4.4
71.05032	3.1
71.15330	1.3
73.51381	1.3
80.02705	1.3
81.03459	1.6
83.05038	5.3
84.02164	3.2
95.05026	3.1
97.06613	5.3
99.04594	1.7
99.08159	2.9
109.06584	1.9
112.05348	1.5
115.07637	1.3
118.10635	1.3
123.08115	1.7
125.09756	8.2
127.07653	17.3
135.08191	2.9
139.07657	4.0
153.09209	16.9
155.10797	4.9
163.11339	3.7
165.12869	2.8
171.10287	17.7
175.50465	1.2
178.10019	5.8
185.11856	17.9
191.10730	2.2
193.40450	1.2
197.11853	18.1
198.12212	2.4
207.10255	2.2
209.11845	85.8
210.12222	5.4
225.11336	1.5
230.46506	1.4
236.10568	2.5
238.12109	7.8
245.19096	2.8
256.13202	3.9
289.18097	10.2
297.20557	1.6
299.07181	1.3
307.19159	100.0
308.19608	8.4
325.05252	3.0
325.16748	2.7
325.20215	33.9
326.20520	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65451	17.0
57.09468	14.3
59.01402	21.0
69.08567	18.4
73.04947	16.6
75.09528	15.8
79.85598	15.3
80.11199	14.7
80.62380	17.6
98.21797	35.9
151.11261	23.4
153.12816	25.4
197.11841	35.7
199.13362	32.2
215.12860	52.6
222.95615	17.4
227.12872	95.5
229.14462	100.0
266.05972	19.6
307.19196	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	8.5
58.00586	5.8
59.01362	9.9
63.70827	6.9
71.27521	9.2
83.05030	12.3
97.02962	14.6
111.04586	6.2
111.08173	18.8
114.45722	5.9
136.26607	6.2
146.76628	6.1
149.09723	17.7
157.08714	38.4
174.99103	7.0
177.00992	6.9
195.10252	63.0
197.11810	33.6
209.11780	16.7
215.12933	9.8
227.12836	8.3
258.87726	6.4
307.19119	27.6
325.20215	100.0
326.20685	12.9
329.89276	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	325.2023
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
58.99276	13.8
59.01382	23.0
67.41676	15.0
70.73345	35.9
71.01393	20.4
83.05022	13.0
108.40790	14.6
111.08162	34.0
125.02436	23.8
127.07620	14.9
171.10310	52.3
185.11864	36.6
197.11984	35.6
201.11290	53.2
209.11841	54.7
227.12894	35.0
289.18176	14.9
307.19171	98.0
325.20053	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	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
70.49587	2.0
100.47061	0.6
107.58457	0.6
149.09731	100.0
150.10059	5.6
163.11295	98.7
164.11639	5.0
169.01479	0.9
183.01231	13.5
184.01901	2.3
197.02744	1.1
216.00912	1.7
325.18307	23.2
325.21677	76.0
326.18604	2.0
326.22113	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	325.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25509	1.6
59.01387	1.8
70.87491	3.3
71.00632	2.2
71.01380	7.8
72.02174	28.2
73.26387	2.0
88.38798	1.9
98.03730	5.7
149.09680	12.8
163.11314	14.8
183.01210	8.2
195.81473	2.0
222.41364	2.1
237.22224	5.8
263.23792	20.4
277.04181	2.0
281.24896	100.0
282.25302	9.8
325.18338	14.4
325.21866	14.4
326.21967	2.6
338.96304	2.2
343.51968	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	326.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25706	0.3
59.01386	0.8
61.98837	8.2
62.07968	0.3
69.43181	0.3
71.24398	0.3
71.31753	0.3
78.83073	0.3
81.87712	0.3
85.00457	0.4
87.14977	0.3
88.37862	0.3
110.48317	0.3
140.02049	3.0
141.99936	0.8
146.11565	0.3
162.62323	0.3
163.51598	0.3
181.95287	3.5
182.95378	0.7
183.88985	0.3
183.95036	3.0
184.01033	100.0
185.01183	8.0
326.02368	1.1
329.83453	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	326.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67054	0.4
69.75607	0.4
71.26911	0.6
90.60519	0.4
108.02213	0.6
109.02979	2.7
116.28901	0.4
118.99820	0.5
121.02982	0.9
135.04538	0.5
145.02899	0.6
146.03766	5.7
147.04385	0.6
148.04053	1.3
149.04826	2.0
149.35771	0.5
159.04579	3.8
160.04002	2.4
161.02412	1.6
161.04787	0.7
162.02042	0.7
162.03235	3.4
163.04105	0.6
173.02533	1.1
189.04343	3.6
190.05185	2.9
201.04419	0.4
202.05115	0.6
211.07675	0.8
213.05603	1.1
225.05627	1.1
237.05544	1.0
239.07152	2.2
240.04434	0.9
241.04900	1.2
242.05962	1.3
250.06120	0.6
251.07207	1.2
253.05128	2.1
254.08246	1.5
255.06607	1.6
256.07367	1.2
264.06674	2.3
265.07437	0.6
266.05704	1.0
266.08258	1.0
267.06659	6.0
268.07401	3.2
277.84091	0.5
281.06992	1.4
282.04767	0.5
282.07745	6.8
283.04910	6.3
283.08447	3.2
284.05066	1.0
292.06253	1.4
293.06943	1.0
294.07733	1.2
295.08521	1.6
296.08954	0.6
298.07303	4.7
298.10944	2.3
310.07224	44.3
311.07925	24.9
312.08365	1.4
326.10349	100.0
327.05020	1.4
327.10742	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	326.1035
Annotation	Terrestriamide
Peak:m/z	Relative Intensity
50.36926	0.4
51.68672	0.4
52.71857	0.4
62.89035	0.4
71.27073	0.7
94.95662	0.4
103.70168	0.3
108.02176	0.9
109.02956	3.2
113.02409	0.4
121.02963	0.9
124.01677	1.6
127.16594	0.4
128.00247	0.4
131.01384	0.4
133.02960	1.2
133.10620	0.4
139.04048	1.8
145.02930	0.8
146.02568	0.6
146.03743	5.3
147.03226	0.5
147.04480	1.4
148.04036	1.1
149.02431	1.0
149.04823	1.7
159.00905	0.7
159.04526	3.8
160.01762	0.5
160.04051	1.9
161.02463	10.0
161.04649	0.4
162.02017	0.6
162.03207	2.6
163.03946	0.9
165.01869	0.5
169.01451	0.5
173.02359	1.0
174.01900	0.6
187.00368	2.0
188.03413	0.5
189.04315	3.4
190.05077	2.5
202.05132	1.0
205.67493	0.4
211.07631	1.0
213.05626	0.7
224.04811	0.4
225.05547	1.3
237.05484	0.8
238.06317	0.8
239.07129	2.2
240.04259	0.7
241.05042	1.1
242.05769	0.9
250.06477	0.4
251.07143	0.7
253.05188	2.2
254.08261	1.5
255.06458	1.3
256.07364	1.2
264.06607	1.3
266.05734	0.6
266.08203	0.8
267.06659	6.0
268.03735	0.7
268.07291	2.7
281.07040	0.9
282.04697	0.7
282.07724	6.7
283.02341	0.7
283.04922	5.3
283.08466	3.0
292.06128	1.5
293.06946	0.5
294.07666	1.6
295.08514	1.7
298.07300	5.1
298.10889	2.7
310.07236	43.4
311.07928	21.6
312.02698	0.7
312.08289	1.4
326.10349	100.0
327.05066	9.7
327.10699	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	326.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70224	0.4
65.84314	0.5
79.48637	0.6
98.21783	0.9
109.02972	3.0
145.02994	0.6
146.03752	6.0
147.04443	1.0
148.04028	0.8
149.04822	1.9
159.04544	3.8
160.04037	2.8
161.02458	1.9
161.04865	0.8
162.03275	3.0
171.15511	0.5
173.02443	1.3
189.04344	3.5
190.05113	2.9
202.05110	0.6
209.06097	0.5
213.05592	0.9
221.48207	0.5
225.05501	0.8
228.91074	0.5
237.05556	0.6
238.06345	0.9
239.03482	0.6
239.07166	1.9
241.05124	0.7
242.05811	1.3
250.06538	0.7
251.07217	1.2
253.05151	2.7
254.08237	1.7
255.06598	1.5
256.07440	1.2
264.06601	1.6
265.07428	0.7
267.06653	6.4
268.07196	2.1
281.06934	0.9
282.04568	0.6
282.07687	8.3
283.04904	6.1
283.08423	2.4
292.06183	1.4
293.06955	1.0
294.07846	0.7
295.08423	1.1
298.07312	5.1
298.10898	2.7
310.07242	44.8
311.07947	23.7
312.08243	1.8
326.10349	100.0
327.05017	1.7
327.10706	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	326.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95134	2.2
56.55718	2.2
59.01370	7.0
60.17622	2.1
71.26714	2.8
107.03659	2.2
110.50454	2.6
125.02454	6.3
134.03920	3.8
134.04736	100.0
135.04092	4.5
135.05081	3.5
146.02496	5.2
149.99597	6.3
150.03191	3.5
164.03569	3.8
165.01895	5.1
165.99040	3.9
169.01410	4.5
170.01714	3.7
173.10469	2.6
180.00706	2.6
181.01494	5.3
184.01077	2.8
193.05028	2.5
194.05441	7.5
209.00926	6.9
266.09128	3.4
326.11554	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	327.015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57776	0.9
59.01374	3.5
61.98835	5.1
69.43650	6.2
69.44056	1.8
74.62325	1.0
99.92605	6.0
104.02721	1.7
115.92092	3.4
116.92860	15.6
131.56561	1.0
132.02187	3.1
148.01544	1.4
156.02180	10.4
160.01685	1.9
171.10300	1.9
172.01701	2.3
184.01665	7.5
200.01180	13.6
211.13342	1.8
212.01187	3.8
226.99995	1.3
228.00693	5.4
240.00670	13.0
241.00984	2.0
254.99387	2.4
256.00052	2.8
265.05484	1.2
279.03134	1.0
282.98590	1.8
283.99683	9.2
297.04422	1.5
302.09357	1.4
309.04395	3.0
310.98340	1.4
311.99149	100.0
312.99554	6.5
327.01505	47.3
327.05124	2.7
327.21793	11.4
328.01849	3.5
328.07251	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	327.036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01387	14.6
67.01894	2.0
68.99816	2.2
69.21579	6.7
71.01390	31.2
72.99297	2.7
73.02948	2.6
75.00858	1.2
79.01946	0.9
80.34612	0.8
81.03419	0.8
83.01406	1.3
84.02188	0.9
85.02959	29.4
87.00883	7.0
95.01403	10.5
95.75639	0.8
98.21869	1.7
99.00871	4.4
101.90567	0.9
103.00401	6.1
107.01398	4.4
109.02950	0.9
111.00880	3.8
113.02462	36.1
115.00391	3.5
121.03008	1.2
123.00904	11.0
124.01658	1.2
125.02466	24.3
127.00367	1.1
129.01965	1.8
137.02466	1.6
139.00418	5.3
140.01132	2.4
141.01906	1.7
151.00378	8.7
157.01434	2.8
165.01936	2.8
166.99928	1.1
167.03505	2.1
168.00623	3.1
168.80841	0.9
169.01448	34.4
170.01730	1.6
175.02505	13.6
179.03465	2.0
193.01454	1.5
203.64993	1.0
207.03171	1.3
209.00940	3.0
211.02477	4.4
220.70581	1.1
221.04401	0.9
223.02451	1.3
239.02003	1.0
251.01923	0.9
283.04883	0.9
311.55515	0.8
327.03601	100.0
328.03888	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	327.036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71684	2.7
58.46724	2.7
59.01382	6.9
63.30856	2.6
65.00320	5.9
68.99802	4.7
71.01394	6.6
71.25325	3.1
78.95924	2.8
81.03459	4.5
85.02946	3.7
87.00900	4.5
88.98830	3.0
95.01413	3.4
96.99360	6.0
100.69400	2.6
105.01954	3.3
108.02186	55.2
109.02976	4.3
110.00123	15.6
115.00372	3.1
121.02958	6.0
122.00129	9.2
123.00853	4.0
123.04534	40.5
124.01668	5.7
124.98862	3.9
125.02452	3.2
136.98811	3.9
137.02519	5.0
137.99591	7.9
139.00410	2.8
140.01132	5.2
141.74052	3.1
145.01457	6.5
149.02437	29.3
149.99606	100.0
150.03259	21.4
151.00221	4.3
152.01164	11.5
153.01961	9.0
155.03511	9.2
164.01207	4.2
164.04774	10.6
164.98346	24.6
165.01939	55.7
165.04274	4.9
165.05579	36.8
165.99095	39.3
166.02162	3.1
167.03596	4.4
168.00659	8.8
168.13409	3.8
169.01471	4.9
177.99100	31.8
178.99893	16.3
180.00636	37.5
181.01451	84.0
182.01909	3.8
183.02971	10.1
192.00638	4.4
193.01418	21.0
195.03004	7.2
199.02515	14.2
208.00172	29.8
209.00937	66.1
209.04262	2.6
210.01234	3.1
211.02423	4.1
238.01103	5.8
239.01845	3.3
266.98288	3.3
268.02249	21.9
275.95898	3.5
283.04599	3.1
284.61154	3.2
327.03583	18.0
327.12747	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
70.30173	1.5
70.30503	2.8
71.01386	2.2
73.02956	1.6
85.02956	2.9
87.00886	20.8
97.66469	1.1
99.00893	3.4
101.02496	1.8
105.01945	26.1
113.18945	1.2
134.03792	5.6
135.04543	72.2
136.04828	3.3
147.02975	6.4
160.62827	1.1
165.04056	100.0
165.71280	1.2
166.04391	2.3
179.03517	50.6
180.03799	2.8
214.63882	1.2
217.59547	1.1
256.25949	1.1
327.07172	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	327.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01372	2.2
59.03835	0.6
61.03006	0.6
71.01388	2.1
72.99309	1.3
73.02951	0.9
75.00864	1.2
80.99081	0.6
85.02957	2.5
87.00886	22.8
98.21716	1.1
99.00887	3.1
100.40078	0.8
101.02467	1.5
101.19073	0.7
105.01946	24.5
106.02261	0.9
112.98727	0.7
115.00363	1.1
117.01952	1.2
119.05033	2.5
121.02946	1.2
125.02449	2.2
126.95125	0.7
133.02986	0.7
134.03752	3.9
135.04544	45.8
136.04890	1.2
147.03026	4.8
161.02425	0.9
163.04012	1.5
165.04054	100.0
166.04358	2.0
169.01421	3.6
175.02481	2.7
179.03511	27.6
180.03941	1.4
193.05125	1.4
194.05363	0.7
195.03162	0.7
195.05614	1.4
327.07175	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	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
53.69088	0.8
54.27032	0.7
55.01867	0.8
56.00222	0.8
56.23441	0.7
57.03431	1.1
58.00594	1.6
58.45409	0.8
59.01386	37.0
61.18351	0.7
64.50385	1.0
71.01392	23.7
71.27244	1.4
72.99317	3.7
79.63872	0.8
83.01382	2.1
85.02962	9.5
87.00889	1.6
89.02454	18.2
95.01396	5.1
97.02956	1.0
101.02458	12.0
103.05538	1.0
107.01383	3.2
109.02959	0.9
111.00879	2.8
113.02458	9.6
119.03532	9.4
119.05010	3.5
123.00888	5.7
125.02473	12.6
137.02383	0.9
139.00363	2.9
139.04053	1.4
140.01163	3.0
141.01884	0.9
143.03534	1.1
147.04541	100.0
148.04849	4.5
149.02356	0.9
151.00340	2.8
153.01923	0.9
161.04544	0.8
165.05592	14.8
168.00618	3.2
169.01453	25.9
170.01773	1.6
177.01909	2.1
183.02997	4.8
288.43167	0.8
327.07196	7.6
327.10831	53.6
328.11304	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61733	1.1
57.03446	2.4
58.00599	1.7
59.01381	1.6
63.04113	1.3
69.03467	1.3
70.84064	2.7
70.84415	1.9
73.02952	1.6
97.06627	1.9
107.08669	2.4
115.66402	1.2
119.08746	1.2
125.09721	6.7
127.11312	8.7
137.09749	1.9
155.10767	4.0
160.31696	1.4
165.09210	3.6
171.10243	14.1
176.63669	1.1
183.10194	1.3
197.11647	1.8
199.09805	2.1
201.11322	82.6
202.11682	5.3
273.18658	3.5
291.19635	2.0
297.20703	3.1
309.20596	4.5
327.01657	2.0
327.21780	100.0
328.22076	11.8
341.36160	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03444	2.5
70.89410	2.4
71.01386	1.3
73.02945	4.9
97.06596	2.1
98.03751	1.4
99.08165	2.4
112.05328	3.9
115.07678	3.6
125.09715	1.4
127.07670	2.8
127.11311	2.3
129.09230	23.1
141.09276	9.3
141.12874	1.6
155.10791	35.8
156.11188	1.6
165.12895	1.6
171.10295	32.4
172.10617	2.2
185.11845	37.3
186.12149	1.7
197.09975	1.5
197.11826	32.0
198.12029	1.7
209.11855	6.2
227.12933	1.8
228.00110	1.0
257.13931	2.4
291.19666	13.2
299.22455	1.0
309.20752	33.2
310.21146	3.2
327.21802	100.0
328.22150	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01375	2.8
59.95697	0.9
68.39409	1.0
68.64884	1.1
70.92610	2.0
71.01352	1.2
73.02943	3.3
83.05026	3.3
84.02163	1.7
99.08157	2.7
103.81671	0.9
111.08182	2.2
113.09737	1.5
122.22691	1.2
125.09702	2.9
127.07703	5.5
129.09233	23.5
130.09566	1.1
141.09239	8.2
143.03358	1.0
163.11290	2.2
165.12881	1.9
169.12363	2.2
171.10297	3.1
185.10201	2.1
185.11845	41.3
186.12285	1.1
192.87645	1.2
194.75749	1.1
197.11850	46.1
198.12242	2.3
209.11836	34.9
210.12189	1.8
211.13457	1.4
227.12811	2.6
290.36545	1.0
291.19727	9.3
309.20703	11.4
310.20990	1.3
327.21777	100.0
328.22076	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00593	2.9
59.01386	3.9
62.03058	0.7
63.91628	0.6
68.85165	0.6
69.03447	0.8
69.73454	3.7
83.05038	1.0
97.06607	2.8
109.06637	0.8
111.08176	10.9
112.08483	0.8
127.07669	1.1
153.12895	1.0
169.12366	7.2
171.10205	0.7
181.12370	1.9
197.11853	58.4
198.12163	2.8
199.13422	10.0
211.13402	4.5
214.02158	0.8
227.13025	1.6
263.20160	1.4
267.29846	0.7
291.19794	4.4
309.20663	4.8
327.21802	100.0
328.18610	1.1
328.22220	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	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03453	0.2
58.00593	1.0
60.39968	0.2
68.16584	0.3
69.45092	1.4
97.06606	1.8
115.07651	1.0
128.31560	0.3
153.12891	2.2
155.10783	0.3
155.14418	4.5
165.12871	0.3
181.12396	0.5
183.13905	5.7
184.14250	0.3
185.15506	0.4
193.12372	0.7
197.11809	0.8
199.13420	6.4
200.13692	0.3
209.11922	0.3
211.13405	3.8
215.12926	0.4
226.36775	0.3
227.12894	3.1
229.14455	100.0
230.14774	6.1
234.60916	0.2
270.70425	0.3
273.18765	0.3
291.19754	1.5
298.98364	0.3
309.17123	0.4
309.20718	8.2
310.21161	0.6
326.97964	0.4
327.21808	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74064	0.7
54.52701	0.5
57.03446	0.6
58.00596	1.0
59.01382	0.5
59.76725	0.5
68.29238	0.6
85.75103	0.7
97.06581	2.5
98.22002	3.6
153.12859	1.5
155.14424	3.8
161.37206	0.5
171.10147	1.0
183.13916	5.9
185.11742	0.6
199.13435	5.7
211.13391	4.5
227.12971	2.2
229.14453	100.0
230.14786	6.4
291.19733	2.0
303.25363	0.6
308.62836	0.6
309.20721	3.6
327.21994	6.3
344.24765	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18768	0.5
57.03450	1.4
62.95514	0.7
69.78538	2.0
69.78930	1.5
76.17911	0.7
83.05016	0.8
85.02953	4.0
95.05049	0.7
97.06626	5.0
97.23786	0.7
98.21790	1.3
99.10932	0.6
125.09760	0.9
127.11280	1.9
137.09785	1.1
165.12845	1.8
167.14410	1.0
171.10295	12.6
177.42714	0.7
183.13936	5.5
185.11839	1.6
193.12340	1.8
203.10829	0.7
209.11821	2.2
211.13435	23.0
212.13753	1.7
221.11859	3.4
227.12869	0.8
229.14462	15.7
230.14731	0.8
239.12898	2.9
291.19708	2.1
309.20764	1.1
327.21790	100.0
328.22147	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	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.00792	0.6
57.03452	2.1
59.01372	1.5
63.84061	0.6
66.53618	0.7
69.03445	0.8
69.17590	6.3
71.01381	1.4
83.05039	0.9
83.74050	0.6
85.02950	4.9
95.05045	0.9
97.06593	6.4
110.47475	0.7
111.96846	0.7
113.07755	0.7
123.08218	0.8
125.09754	2.0
127.11274	2.2
135.04507	2.3
144.04274	0.8
147.04575	1.1
148.05318	4.6
149.78500	0.8
155.10861	1.0
167.10808	0.9
167.14401	0.8
171.10274	9.1
176.03546	0.8
177.12891	1.4
178.05101	3.5
181.12444	0.9
183.13881	4.9
185.11775	1.9
190.05083	1.2
193.12317	1.4
201.11183	0.7
209.11848	1.6
211.13422	23.9
212.13692	1.1
221.11871	3.2
229.14462	14.4
239.12898	2.1
241.14397	1.3
291.19678	3.1
309.20844	1.2
327.01563	3.4
327.21796	100.0
328.11908	1.6
328.22183	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	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01384	100.0
70.55801	22.2
90.00384	9.1
98.22464	13.6
129.38133	10.3
141.10486	9.6
167.83076	10.7
233.71510	11.5
327.29095	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32236	3.4
55.14385	3.3
58.27370	3.3
59.01376	6.3
59.88610	3.2
65.40424	3.4
70.00692	6.7
70.01083	9.3
71.17159	3.2
90.26198	3.9
93.03453	19.3
93.06418	3.5
108.02177	11.0
109.02966	10.8
119.05003	5.8
120.04573	17.0
121.02965	100.0
122.02500	6.3
122.03725	12.0
123.00869	4.3
123.04557	35.5
125.02449	10.5
134.06128	4.9
135.04462	5.6
136.04050	17.2
147.00861	5.8
148.05394	5.6
150.03256	74.4
151.04021	23.2
160.04048	6.8
164.03531	37.3
165.05576	29.3
167.03545	4.2
169.01430	8.5
178.02675	6.3
178.05031	3.9
193.05107	6.1
195.98903	7.0
207.05255	4.0
209.04471	4.0
240.10281	6.9
256.09894	5.4
284.09293	75.7
285.09604	7.4
313.09543	9.0
314.04425	4.2
328.11948	70.7
329.12213	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	328.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86750	0.5
67.66402	0.5
76.41672	0.6
79.87508	0.6
91.05545	0.9
93.03506	0.7
98.22542	1.0
107.05054	2.1
117.00328	0.6
119.84306	0.6
121.02921	0.7
122.03764	2.0
123.03728	0.9
123.04540	7.1
132.02220	0.8
133.02982	1.5
134.02722	1.1
134.03752	19.1
135.04546	38.3
136.04010	1.4
136.04924	1.8
137.02441	0.8
140.83992	0.6
141.40758	0.5
147.04546	4.1
148.05321	47.1
149.04881	1.2
149.06104	9.0
151.06422	1.1
152.07188	15.5
160.01703	3.2
160.04059	0.7
161.02464	2.5
166.08813	0.6
175.04005	8.1
176.03557	2.1
177.04309	2.4
178.05116	40.5
179.05431	1.5
185.62686	0.6
190.05107	13.7
192.06714	1.9
204.06656	0.6
242.60408	0.5
313.09555	2.9
328.11929	100.0
329.12250	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	328.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27416	0.8
50.56387	0.6
50.59357	0.6
53.55845	0.8
63.25886	0.6
69.54999	1.6
69.55412	2.8
76.14661	0.7
80.48309	0.8
86.76736	0.7
90.78638	0.6
91.05531	1.2
93.87405	0.6
98.21832	1.0
105.17527	0.7
107.05040	1.7
109.02990	0.7
122.03751	3.0
123.04533	6.8
134.03760	19.3
135.04543	38.2
136.04002	0.9
147.04555	3.5
147.72592	0.7
148.05321	42.5
149.04817	1.9
149.06046	8.4
151.00362	2.6
151.06389	1.2
152.07191	12.9
160.01704	3.7
160.03947	1.4
161.02463	3.3
164.81438	0.7
166.08746	1.0
175.04028	8.6
176.03468	1.6
177.04272	2.5
178.05109	41.0
179.05498	1.5
190.05115	13.3
191.05493	0.9
192.06638	0.9
199.03960	3.2
201.02007	0.9
204.06700	0.8
215.03659	0.9
227.03474	2.0
242.02177	1.6
243.03061	3.3
257.04535	1.2
259.53995	0.9
269.04523	1.1
269.08182	0.9
271.02502	35.9
285.04117	2.1
286.04831	2.2
299.02014	2.4
313.09653	2.7
314.04352	20.6
328.11932	100.0
329.06696	12.3
329.12268	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	328.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29683	0.6
64.68132	0.6
65.00330	1.0
98.02499	0.6
98.21743	1.4
107.01390	1.0
107.18191	0.7
108.02180	5.9
109.02956	5.6
109.46428	0.6
111.00879	0.7
115.76786	0.5
121.43060	0.6
122.03761	10.6
123.00907	2.7
123.04552	3.8
124.01698	3.0
125.02460	0.8
132.02177	3.8
133.02950	1.1
136.04068	8.6
137.02414	0.7
147.04553	4.1
148.01663	0.7
150.03241	100.0
151.00432	3.1
151.04036	24.9
152.01181	0.8
152.04330	0.8
157.02998	1.0
164.03555	18.1
165.01901	1.5
165.05588	37.6
166.05917	1.9
169.01381	1.4
171.04520	1.0
177.01814	0.5
178.05075	4.0
183.04482	0.8
191.03510	1.8
194.04591	3.3
199.04021	5.5
206.04570	2.7
207.05394	6.5
215.03476	1.4
227.03424	2.8
228.91913	0.7
239.04321	1.9
242.02240	3.3
243.02982	6.1
256.03528	1.4
257.04391	4.1
269.71768	0.7
269.98071	0.7
270.01691	1.7
271.02493	53.8
285.03922	6.0
286.04846	1.8
299.01910	3.0
300.02728	1.0
301.03427	1.1
313.03430	2.0
313.09555	8.9
314.04346	30.7
314.09995	1.4
314.55585	0.7
315.05325	1.0
328.05496	2.6
328.11929	90.1
329.06674	18.8
329.12228	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	328.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72077	0.5
63.61674	0.6
70.13103	0.5
71.26823	1.1
92.18655	0.6
93.03458	3.7
95.01350	0.7
95.05064	1.1
102.27458	0.5
104.73591	0.5
108.02177	0.8
109.02950	0.6
109.15936	0.5
117.03506	1.6
121.02973	4.6
123.04604	0.8
125.02451	2.1
132.02216	3.2
132.04630	0.6
133.03018	11.9
133.05353	72.6
134.03761	19.2
134.05991	2.4
135.04552	11.9
139.26524	0.6
147.04501	1.6
148.04144	0.9
148.05315	9.6
149.02458	25.9
149.06084	8.7
150.03224	1.1
160.01692	12.4
160.04008	2.6
161.02463	100.0
162.02812	5.0
163.04048	0.9
164.04797	4.3
165.05623	0.8
166.06302	0.6
167.03522	0.7
167.07121	1.4
169.01471	2.6
175.04030	10.0
178.05090	1.7
190.05052	3.0
193.05080	2.2
194.02211	1.2
213.75668	0.5
217.37659	0.5
234.07697	1.4
246.54710	0.6
252.07976	5.9
283.09976	0.8
294.07770	0.8
295.08554	12.3
296.08694	0.7
310.10883	93.5
311.11221	11.0
313.05457	0.8
314.00784	0.6
314.11618	6.2
328.08536	0.9
328.11966	6.5
329.06256	1.1
329.14011	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	328.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	6.0
59.01386	42.6
66.03474	4.4
67.31425	1.5
71.01385	23.9
71.27320	2.0
71.27688	1.9
72.99317	2.7
74.02479	33.5
83.01398	2.2
84.04552	3.1
85.02946	5.5
86.06149	7.4
89.02453	19.0
91.01944	1.4
95.01398	3.3
96.04578	2.3
97.04084	10.4
98.02443	1.7
98.06100	1.7
99.05612	4.2
101.02462	12.1
108.02164	3.9
110.02442	2.3
112.04044	3.0
112.07694	3.5
113.02473	10.3
114.05599	2.9
115.08784	10.5
116.03586	2.1
116.07194	7.3
119.03517	4.7
119.41927	1.4
123.04499	7.1
124.03888	1.5
125.02438	6.8
125.07224	25.6
126.05569	1.9
129.06705	2.5
129.10345	13.3
130.05157	3.2
139.00388	1.7
139.08739	1.9
140.07210	16.4
140.10727	1.7
141.06720	7.4
143.08282	44.4
149.02441	1.7
150.09236	6.5
151.00385	3.8
151.05142	1.8
152.01109	5.0
152.07219	2.4
157.09837	11.4
158.08197	3.6
165.01959	2.2
166.02695	5.8
167.03506	42.1
168.00624	1.5
168.10306	3.3
169.01428	9.6
171.11412	2.6
181.05042	5.0
187.07253	73.8
188.07607	2.8
194.02235	2.6
199.10886	3.1
203.20206	1.5
209.04549	26.2
211.02409	1.9
211.10808	1.8
224.14032	1.7
239.05663	4.0
241.81192	1.7
242.15102	4.7
253.11949	1.9
269.06708	4.5
328.15155	100.0
329.08801	56.0
329.15405	6.7
333.01221	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	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94202	0.4
59.01384	44.5
61.98838	8.1
69.55511	0.8
69.55801	2.5
88.10664	0.4
92.73362	0.5
108.52193	0.5
115.02544	2.3
117.00443	3.4
129.67751	0.4
130.38350	0.4
141.74422	0.5
142.99481	1.1
143.02013	3.7
144.99982	1.0
157.03600	1.4
159.01523	63.8
160.01651	4.7
168.99927	1.0
170.97910	1.4
185.01201	2.6
186.00803	3.1
186.98602	9.3
187.01016	100.0
187.98616	1.1
188.01044	7.4
195.21721	0.5
201.02583	14.3
202.02794	0.8
274.99588	0.6
329.02191	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	329.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88285	0.5
69.88959	2.1
93.99261	0.5
95.33829	0.4
98.22343	0.8
121.02978	2.6
122.03688	0.5
128.81703	0.6
131.04997	0.7
135.04529	0.5
137.02412	0.8
137.93909	0.6
140.92886	0.5
143.05025	0.6
143.39111	0.5
147.04532	1.9
149.02422	0.5
150.03238	3.0
158.03760	2.0
159.04510	5.5
160.04105	0.8
160.05327	13.4
161.06113	4.8
163.04021	2.0
164.04791	2.0
173.06055	2.0
175.07671	9.8
177.05620	2.6
178.06339	1.5
193.08636	1.2
202.02655	1.0
214.99846	2.4
242.99380	9.0
254.99232	0.6
269.08316	0.9
270.98859	81.3
271.99234	4.8
283.99759	1.0
285.00424	8.1
286.01083	2.6
291.59790	0.6
298.98346	100.0
299.98679	7.1
310.98312	1.2
312.99915	19.4
314.00705	66.7
315.01031	4.7
329.03052	91.8
329.13904	14.5
330.03427	7.6
330.14362	1.2
337.93896	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	329.0307
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
51.28273	0.5
59.01369	0.6
62.69077	0.6
69.39506	2.1
69.39922	1.4
98.21750	0.7
116.81074	0.6
132.81715	0.5
147.00977	0.6
202.02750	1.2
213.01891	0.9
214.99852	2.1
230.02139	1.0
242.99327	9.5
258.01669	0.7
270.98853	84.1
271.99216	4.8
282.98834	1.1
283.99686	2.1
285.00403	14.8
286.01172	4.8
297.00568	0.7
298.98349	84.8
299.98700	6.4
301.91681	0.6
310.98349	2.0
312.99924	35.4
314.00687	94.6
315.01086	6.6
329.03036	100.0
329.23328	1.6
330.03415	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	329.0307
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
56.77070	0.4
69.70785	1.8
90.47397	0.3
106.46544	0.4
124.22375	0.3
135.40993	0.4
171.00851	0.6
187.00487	0.9
199.00366	1.0
214.99847	3.1
242.06754	0.4
242.99352	13.4
243.99809	0.6
258.01770	0.7
270.98862	97.0
271.99197	6.6
283.99646	1.1
285.00378	2.3
286.01117	1.3
298.98346	96.7
299.98724	5.5
312.99823	3.7
314.00711	100.0
315.01080	7.8
329.03052	56.3
330.03329	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	329.0669
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.96521	0.6
59.01378	0.6
60.25058	0.5
69.17468	3.6
76.60072	0.5
77.25282	0.5
91.85385	0.4
98.21960	1.4
98.22529	0.5
107.01393	0.6
117.43404	0.5
128.95247	0.4
151.00365	1.7
157.03122	0.4
157.36867	0.5
157.96776	0.5
171.04536	1.2
171.10196	0.6
172.10657	0.8
175.04042	0.7
199.04028	4.7
199.13358	3.4
201.01976	1.2
215.03481	2.3
220.67613	0.5
227.03511	4.4
242.02231	0.5
243.03052	4.8
254.02351	0.6
255.02933	0.7
269.04581	1.5
270.01593	0.7
271.02499	71.8
272.02805	4.9
285.04132	2.7
286.04684	0.8
299.01990	100.0
300.02347	7.6
300.05457	0.7
311.22025	0.7
314.04340	95.9
315.04709	8.1
329.06680	49.8
329.23349	7.4
330.06964	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	329.067
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
51.89908	0.4
54.73346	0.5
61.69271	0.4
65.00345	0.7
69.02686	4.6
74.03597	0.5
75.91713	0.5
107.01437	1.5
130.93666	0.5
133.03014	0.7
134.03667	0.5
142.06529	0.4
143.05045	0.6
147.00937	0.8
148.01695	1.4
149.02448	0.7
151.00388	6.1
152.07191	0.5
155.05109	0.5
157.02948	1.0
171.04523	1.4
175.04001	0.9
183.04575	1.2
187.03986	0.5
198.03226	0.5
199.04045	7.1
201.01955	1.9
203.03618	0.8
215.03607	2.7
225.02028	0.7
226.02626	0.8
227.03551	5.0
229.01457	1.2
242.02205	4.1
243.02994	11.6
244.03262	0.9
254.02280	0.5
255.03050	1.3
257.04593	5.8
269.04666	1.1
270.01666	1.9
271.02502	100.0
272.02838	6.8
285.04056	4.9
286.04797	4.4
299.01981	5.4
305.51291	0.6
314.04349	57.1
315.04672	5.5
329.06680	38.5
329.12155	2.5
330.06943	3.2
352.54370	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	329.0669
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
51.85654	0.8
53.90333	1.0
58.27102	0.9
66.53773	1.0
77.40739	0.8
78.00636	1.0
87.11644	1.0
95.39139	0.9
98.21819	3.0
107.01376	0.9
143.05019	1.3
151.00386	2.9
153.49774	1.0
171.04544	2.0
175.03940	1.0
183.04506	1.7
187.04077	2.0
199.04018	11.4
201.01970	3.1
203.03528	1.2
215.03525	7.0
226.02754	1.8
227.03539	7.7
228.68822	1.3
242.02249	13.3
243.03000	52.5
244.03326	3.8
255.03012	5.4
257.04578	13.4
270.01697	15.3
271.02499	81.7
272.02768	6.0
273.13214	1.1
281.23907	0.9
285.04074	23.8
286.04703	7.3
299.01984	66.3
300.02341	5.0
314.04352	88.0
315.04675	9.3
326.73312	1.3
329.06668	100.0
330.07028	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	329.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84011	1.3
57.03422	1.4
58.00593	1.9
59.01384	84.9
62.18730	1.4
65.45467	1.4
67.01889	2.4
68.36396	1.3
69.30993	11.3
69.43101	1.5
71.01385	51.7
72.99298	5.0
81.42148	1.4
83.01386	4.0
85.02969	12.0
87.00883	2.0
89.02449	48.4
89.56137	1.5
91.01939	2.5
95.01385	5.3
97.02982	1.9
97.32611	1.3
101.02453	23.9
107.01400	2.0
108.02189	6.9
109.02973	4.2
111.00849	1.6
113.02458	20.3
119.03517	16.5
123.00901	9.8
123.04528	21.5
125.02460	5.1
137.02411	3.4
138.03242	7.4
150.03175	2.3
151.00366	5.7
152.01132	8.9
153.05576	4.2
162.07614	1.4
165.01855	1.9
165.05602	2.3
166.02715	10.4
167.03510	91.6
168.03847	5.2
169.01421	3.4
170.01805	2.0
181.05113	14.8
182.02211	6.9
194.02219	5.0
197.04550	18.8
209.04572	56.6
210.04893	3.0
238.97530	1.6
239.05641	5.6
269.06586	10.6
329.08798	100.0
330.09119	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.33879	0.4
55.77807	0.2
57.03447	0.7
59.01376	0.4
65.00334	0.6
68.33887	0.3
74.02474	0.5
76.79604	0.3
77.25191	0.3
81.03469	4.5
83.01392	3.0
87.05670	0.3
95.05049	0.9
97.02951	0.4
100.77263	0.3
107.01405	0.6
107.19218	0.3
108.02190	0.4
121.02953	0.3
123.04540	32.2
124.04894	1.4
125.02463	7.1
126.91075	0.3
139.04062	0.4
149.02443	0.9
151.00369	1.8
163.04025	0.6
167.03513	100.0
168.03844	3.8
169.01390	0.4
200.14096	0.4
209.04568	1.2
286.14072	1.0
286.17642	0.3
329.08719	0.8
346.63721	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.47709	0.2
50.96872	0.2
57.03446	0.9
59.01378	0.8
62.15439	0.2
65.00336	0.7
68.92402	0.3
69.03471	0.3
71.01377	0.7
71.06146	0.4
81.03465	4.8
83.01398	2.8
85.02969	0.3
93.03475	0.5
95.01412	0.3
95.05026	1.2
97.02940	0.8
99.04531	0.5
100.43069	0.3
107.01377	0.5
109.02985	0.5
114.25004	0.3
121.02955	0.6
123.04538	36.2
124.04842	1.5
125.02460	5.0
135.04555	0.4
137.02464	1.1
138.03229	0.3
139.04024	0.9
149.02472	1.2
151.00380	1.5
151.03998	1.1
160.05235	0.3
163.04039	1.5
165.01938	0.4
165.05656	0.3
166.02753	1.0
167.03510	100.0
168.03845	3.4
175.00395	1.2
177.01953	0.6
179.03444	1.3
180.04260	0.5
181.05078	3.3
191.03514	22.8
192.03906	1.1
193.05017	0.3
194.30452	0.3
209.04562	9.4
209.06540	0.5
210.04926	0.4
212.05313	0.3
221.04568	2.5
233.04626	0.6
258.20038	0.3
269.06567	0.3
271.02390	0.4
276.11642	0.3
284.33292	0.3
285.04050	0.5
314.04453	0.4
329.03091	0.6
329.09131	3.2
330.09415	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
67.01876	1.0
69.17261	2.8
69.17669	2.8
81.03468	9.8
83.01388	7.5
85.00625	0.7
85.02967	0.7
88.71439	0.7
93.03448	1.1
95.01405	0.9
95.05035	15.7
96.05349	1.0
97.02974	3.4
99.04522	4.9
107.05009	0.7
107.06478	0.8
121.02969	2.0
122.03752	2.5
123.04531	18.1
124.04874	0.8
125.02473	17.8
135.04530	1.3
137.02470	3.5
137.06108	15.5
139.04047	3.9
141.05563	1.3
149.02478	1.0
151.00465	1.3
151.04063	0.8
155.03520	1.2
163.00410	1.4
165.05573	4.0
166.02742	1.4
167.03513	52.1
168.03848	1.9
179.03522	8.5
180.04068	1.1
181.05072	3.5
181.42682	0.7
191.03413	0.8
193.01465	1.3
193.05061	1.8
197.04677	2.0
198.22411	0.8
200.79178	0.8
206.02213	1.0
209.04573	100.0
210.04939	4.7
221.04570	2.9
239.05649	27.1
240.05998	1.3
251.05539	1.2
287.00266	0.7
329.08722	9.1
347.80316	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01379	5.2
71.01375	3.1
71.27283	2.4
72.99289	1.2
74.02481	1.3
81.03465	9.1
83.01390	6.9
85.02944	1.2
85.20947	1.1
88.29841	1.0
93.03448	1.9
95.01378	1.7
95.05035	13.0
96.26658	1.1
97.02962	4.8
99.04536	4.8
101.02415	2.6
107.01408	1.8
108.02198	6.6
109.02977	2.7
111.04526	1.5
113.02492	1.5
121.02964	3.1
122.03746	2.8
123.00869	2.6
123.04530	23.1
124.01721	1.4
125.02460	32.2
126.02760	1.5
129.95963	1.1
133.53424	1.1
135.04544	2.1
136.01634	3.1
137.02460	16.1
137.06108	13.1
138.03236	6.2
139.04019	3.3
144.07785	1.2
145.01405	1.3
145.06197	1.2
147.60291	1.0
149.02452	15.3
151.00331	1.3
151.04036	5.1
152.01091	1.4
165.01962	3.9
165.05583	3.6
166.02730	27.9
167.03506	62.1
168.03961	1.4
169.01477	11.0
179.03516	8.1
181.05060	4.1
191.03531	1.3
193.01543	1.2
193.05075	2.0
197.04543	2.5
200.13992	2.5
206.02324	1.5
209.04562	100.0
210.04906	5.5
221.04562	3.9
232.02887	2.2
239.03300	2.1
239.05614	22.3
300.99915	5.0
329.02951	1.5
329.08804	38.4
329.12735	2.0
330.09039	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01381	2.0
65.00359	0.8
66.61301	0.6
67.47862	0.6
68.99833	0.7
69.03444	1.0
69.45718	2.2
69.46128	1.9
71.01373	0.7
81.03469	10.6
83.01385	7.4
93.03478	2.4
95.01367	1.4
95.05041	16.6
97.02997	3.7
99.04530	4.6
107.01408	0.9
107.05000	1.1
109.02938	1.2
111.04547	1.2
113.02486	1.3
113.63589	0.7
121.02958	1.6
122.03759	3.4
123.00881	1.2
123.04540	18.2
125.02467	19.2
126.02757	1.2
137.02481	5.1
137.06116	17.1
138.03258	2.0
139.04062	4.1
141.05576	1.2
147.04562	1.0
149.02446	3.0
149.06104	1.5
151.00429	1.4
151.04106	1.0
155.03529	1.0
163.00386	1.1
165.01991	1.4
165.04376	0.6
165.05615	5.0
166.02754	3.1
167.03517	57.1
168.03835	1.7
169.01456	1.1
170.01833	1.0
177.05618	0.9
179.03531	10.8
180.04126	0.8
181.05020	3.3
191.03581	0.9
193.05055	2.1
197.04607	2.9
206.02147	1.7
209.04585	100.0
210.04941	4.2
221.04573	3.3
239.05644	21.8
240.06122	1.2
251.05595	0.8
329.08771	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	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83566	1.3
59.01384	100.0
70.51933	2.9
71.01386	10.4
72.99316	1.9
73.02928	1.5
77.19836	1.4
83.01392	2.7
85.02952	2.4
99.00897	2.0
101.02467	3.8
109.02975	1.5
113.02484	3.9
113.29456	1.2
116.26065	1.2
123.00925	1.5
123.04533	4.2
125.02458	4.7
133.22881	1.4
135.98352	2.4
137.02480	1.9
141.09302	1.5
149.06070	1.5
161.04567	2.6
167.03493	13.9
169.01431	3.4
190.99829	1.7
223.06834	1.3
241.05435	1.6
269.10388	3.2
329.03146	2.3
329.12460	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1398
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
63.30665	1.1
69.37616	4.6
69.38023	2.7
75.00866	1.6
97.66092	1.0
104.33730	1.0
104.57190	1.1
105.03452	1.4
121.02962	16.7
122.03735	4.2
122.95815	1.2
123.00845	2.0
123.04572	1.7
124.01671	1.9
131.05074	2.1
132.07587	1.2
135.52260	1.0
136.01637	1.5
136.05270	3.1
137.02417	2.7
137.06039	1.5
140.65973	1.0
143.05020	3.8
145.02921	1.7
147.04541	11.0
149.02464	6.9
150.02060	1.2
150.03252	20.3
151.03668	1.1
158.03754	13.8
159.04536	44.8
160.05321	100.0
161.06100	39.6
162.06369	1.9
163.04030	16.2
164.04811	16.4
173.06104	11.0
174.06429	1.3
175.07655	70.1
176.04788	1.8
176.07968	4.2
177.05598	21.5
178.06364	17.8
192.07848	1.7
193.08687	7.6
195.87906	1.3
242.99275	1.9
270.98779	12.5
271.02432	4.9
298.98376	14.7
299.98547	1.2
307.04004	1.2
314.00739	16.0
314.11618	2.4
329.03113	9.7
329.13916	95.5
330.14346	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	329.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43498	4.2
82.58653	0.5
83.60707	0.5
86.98105	0.6
90.57581	0.6
93.01000	0.6
93.03484	1.5
94.86313	0.7
98.21849	1.0
98.22411	1.5
103.56842	0.6
105.03528	0.7
108.02129	0.8
115.05585	1.1
119.05051	0.8
121.02972	13.7
122.03766	5.1
123.00884	2.9
123.04598	1.4
124.01660	1.9
131.05040	2.0
134.03828	0.9
135.04564	1.1
136.01686	1.6
136.05321	3.4
137.02478	2.7
137.06097	1.2
138.03242	0.9
143.05043	2.7
145.03023	1.4
145.06609	0.8
147.03490	1.2
147.04549	9.9
149.02448	4.1
149.06107	1.1
150.03247	17.0
151.03824	0.9
153.05594	1.6
158.03758	13.7
159.04536	42.1
160.05321	98.6
161.06104	37.7
162.03209	0.9
162.06439	1.8
163.04024	17.1
164.04819	14.0
173.06111	11.7
175.07661	72.5
176.04858	1.4
176.08025	3.7
177.05594	20.6
178.06364	16.3
179.06740	1.0
190.06406	0.7
191.07098	0.7
192.07892	1.4
193.08714	8.1
244.54866	0.7
264.99487	0.6
314.11676	2.0
329.13974	100.0
330.14334	9.8
337.31323	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	329.2338
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
58.00598	2.0
59.01376	2.1
70.83024	0.8
72.99300	0.5
73.24440	0.4
74.93899	0.3
75.73830	0.4
83.05023	0.4
89.75073	0.4
97.06578	0.4
98.14440	0.4
99.08173	8.4
107.13164	0.4
127.07661	1.2
129.09247	7.9
155.14473	0.6
167.10695	0.4
169.12378	4.5
173.99492	0.4
181.12343	5.6
183.13911	2.2
193.12366	1.5
197.11894	2.3
199.13432	21.1
200.13777	0.9
211.13429	14.9
212.13776	0.8
227.12967	0.7
229.14525	2.1
275.20245	0.8
293.21176	4.2
311.22226	2.7
329.23358	100.0
330.23718	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	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.03526	1.6
58.00554	1.5
59.01377	3.3
61.98820	1.9
68.92344	1.8
70.48050	3.8
82.21526	1.4
86.92255	1.6
92.11300	1.6
99.08164	2.3
125.09747	4.1
127.11279	6.3
129.09225	5.1
139.11299	4.3
155.10782	2.6
164.37431	1.9
167.14389	1.7
170.91112	1.6
171.10251	19.1
183.80453	1.6
185.11870	3.2
186.36768	1.7
199.13512	1.8
200.15451	1.4
201.11320	19.8
229.14444	2.7
293.21201	3.7
311.22235	3.3
329.06631	1.7
329.23346	100.0
330.23581	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	329.2336
Annotation	9,10-Dihydroxy-12,13-epoxyoctadecanoate
Peak:m/z	Relative Intensity
52.50468	0.5
52.83164	0.6
53.84857	0.6
55.92506	0.7
57.03442	1.3
58.00596	1.7
59.01378	1.3
69.14659	0.6
69.17658	3.9
69.18066	1.2
73.02942	0.7
83.66798	0.6
84.77621	0.6
111.26900	0.6
125.02410	0.7
125.09745	7.0
127.11303	9.3
137.09705	1.5
139.11310	2.0
141.73692	0.6
150.28177	0.6
155.10843	3.2
157.12346	1.2
165.09189	3.5
171.10284	9.7
178.35464	0.6
183.10243	1.9
183.13972	0.8
195.06560	1.4
199.09814	4.3
201.11333	49.9
202.11655	2.8
263.20212	1.0
275.20135	1.4
293.21298	3.9
311.22278	4.5
312.22815	1.0
329.23343	100.0
330.23651	9.3
354.42828	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	329.2337
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03452	0.6
69.03465	0.4
70.67018	0.6
72.67170	0.3
83.05016	0.4
85.02956	0.5
97.06625	0.7
99.08172	6.5
100.08472	0.4
125.09717	1.5
127.11295	4.0
137.09702	0.5
139.11311	6.3
153.09241	0.4
155.10777	0.8
155.14427	0.8
157.12337	0.7
165.12886	0.7
167.10744	0.4
167.14426	1.1
171.10287	17.0
172.10674	0.7
183.13896	4.6
184.14310	0.4
193.12323	1.8
199.13341	0.4
209.11816	1.1
210.78648	0.4
211.13409	26.9
212.13794	1.6
229.14471	14.0
230.14767	0.7
230.66550	0.3
243.02946	1.2
247.13344	0.7
262.27679	0.3
271.02509	1.7
284.97070	0.3
293.21277	0.8
298.98816	0.3
299.01794	1.6
311.22241	0.6
314.01126	0.5
314.04367	2.4
329.06628	2.1
329.23355	100.0
330.23691	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	330.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
69.29445	8.7
70.02999	5.0
71.01385	32.0
76.32324	1.5
85.02961	4.1
88.04047	23.1
93.03498	1.5
98.02493	5.1
107.05021	1.5
109.02959	19.2
110.02538	1.9
110.03317	1.2
114.01975	5.2
115.00386	29.8
121.02969	3.3
122.03709	2.0
123.04535	100.0
123.10836	1.3
124.04848	2.4
125.02460	4.7
126.02009	3.7
128.03574	1.4
132.03036	74.2
133.02977	2.9
135.03510	2.9
135.04539	55.5
136.04878	1.7
142.17160	1.5
147.04575	1.4
151.04008	1.6
160.04086	2.1
161.02473	9.2
163.02754	2.9
163.04030	5.8
168.00713	1.7
169.01468	7.9
172.02560	2.5
176.03464	1.7
178.05142	7.9
179.03500	4.1
196.06161	49.0
197.06509	2.1
206.08267	2.1
209.54439	1.4
232.06056	2.5
250.07292	2.5
271.04614	1.9
276.05057	1.9
294.06241	75.8
295.06564	5.9
301.02811	1.8
330.00037	1.8
330.03906	28.1
331.04001	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	331.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63165	0.5
83.13251	0.5
113.81651	0.5
115.05547	0.8
119.05074	1.5
123.00925	0.9
125.02444	3.4
131.05070	3.7
135.04555	0.8
143.05043	1.6
145.02966	1.5
147.04546	4.1
157.02937	1.4
159.04549	7.7
161.02458	1.6
161.38130	0.5
169.01456	4.0
169.02914	1.2
171.04585	1.6
173.02518	1.1
174.03180	0.7
175.04004	5.7
176.01138	0.6
176.04324	0.6
177.02011	1.1
185.02463	2.9
186.03221	0.9
187.04028	6.4
188.04451	0.5
189.01913	1.1
197.02475	0.8
198.03185	0.6
199.04033	0.7
202.02821	1.6
203.03520	26.5
204.03845	1.7
213.01897	3.7
214.02669	0.6
215.03511	4.2
216.00630	1.9
217.01343	1.0
229.01460	0.9
230.02191	0.9
231.02995	21.3
232.03424	0.8
241.01384	3.3
242.02249	1.1
243.02943	2.1
244.00131	1.7
258.01636	3.4
259.02493	28.6
260.02832	1.9
270.01538	0.6
287.01996	100.0
288.02332	8.6
301.02991	0.9
301.53067	0.6
303.01471	0.8
331.00952	22.3
332.01260	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	331.0465
Annotation	Nidifocene
Peak:m/z	Relative Intensity
50.52551	0.4
50.92001	0.4
57.52223	0.4
59.01405	0.5
59.26822	0.4
60.54494	0.4
65.00342	0.8
69.10449	3.7
80.85319	0.5
98.22228	1.8
107.01420	0.8
124.01681	4.2
135.00948	1.0
136.01706	0.6
136.85129	0.4
139.52328	0.5
148.01711	1.2
151.00349	2.2
152.01210	1.5
163.00410	1.0
164.01172	4.1
170.72752	0.4
174.85382	0.4
178.99847	2.1
185.02472	0.5
187.04021	0.7
189.10822	0.4
192.00473	0.4
199.04088	0.6
203.03523	1.3
204.04248	0.9
213.01830	0.9
214.02739	8.2
215.03314	1.6
227.03517	1.1
241.01346	0.6
242.02219	7.1
243.02962	5.8
244.03746	0.4
259.02490	9.3
260.02856	0.5
270.01691	7.9
271.02496	46.6
272.02927	3.5
287.01999	29.0
288.02438	4.0
294.14929	0.5
315.01608	1.0
316.02255	100.0
317.02560	8.2
331.04608	52.2
332.04962	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	331.0465
Annotation	Elatol
Peak:m/z	Relative Intensity
50.64583	3.0
59.01397	3.9
63.02405	5.3
71.33422	5.8
82.90343	3.8
83.01411	3.5
95.01369	3.8
107.01407	6.4
108.02180	3.5
119.63351	3.0
124.01698	14.6
125.02467	7.4
140.72482	3.3
142.27602	3.1
151.00412	21.9
152.01202	8.6
158.03777	6.8
164.01140	15.4
169.01453	7.6
178.99901	5.8
185.02611	4.3
186.03204	6.1
188.04770	3.6
189.01930	4.4
192.00507	3.8
199.04037	4.2
202.02692	4.5
213.01874	4.5
214.02731	10.9
215.03500	5.6
216.04216	3.6
227.03487	7.3
228.03807	3.6
241.01450	27.4
242.02251	28.1
242.88789	3.2
243.02971	5.9
244.03734	7.9
245.00870	11.4
249.14990	36.0
250.15289	5.3
255.03070	10.3
256.03949	4.6
262.48270	3.4
270.01700	40.8
271.02426	26.0
272.03238	31.6
282.01663	5.1
285.03909	9.0
287.02209	5.2
287.05688	10.9
298.01166	22.1
299.01984	26.1
313.03619	55.2
314.03967	4.2
316.02203	45.9
331.04590	100.0
331.25208	3.3
332.04807	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	331.0672
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01875	0.6
69.03452	1.1
79.01893	0.5
81.03483	0.8
88.89271	0.3
91.41014	0.4
97.02943	1.9
97.84523	0.4
98.22602	0.8
101.22126	0.3
124.01670	1.1
125.02456	60.8
126.02806	1.8
153.01891	0.6
168.00636	0.5
168.04204	0.4
169.01437	100.0
170.01788	2.6
188.62505	0.4
217.91698	0.3
260.72281	0.4
331.06686	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	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.49914	0.7
58.00600	1.1
59.01384	28.2
62.16261	0.5
64.70939	0.5
67.01891	1.4
69.03448	0.8
70.47878	0.5
71.01386	11.9
79.01912	1.7
83.01399	0.8
85.02966	2.9
89.02455	9.3
95.01381	2.8
97.02960	1.0
99.00867	0.7
101.02444	5.4
107.01417	5.1
111.00915	1.0
113.02442	3.8
119.03538	2.9
123.00903	20.3
124.01683	3.8
125.02459	46.7
126.02820	1.0
133.34364	0.6
137.02444	0.7
139.00371	4.7
140.01149	1.3
141.01952	2.7
151.00385	17.2
165.01872	0.6
168.00650	6.3
169.01440	83.0
170.01816	2.5
178.14636	0.6
183.02974	1.0
193.01443	1.9
211.02486	12.5
228.69389	0.7
271.04630	12.0
331.06726	100.0
332.07156	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	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51451	0.5
52.98987	0.6
59.01384	7.4
61.38905	0.6
69.03455	1.4
69.33375	4.1
69.33756	1.1
71.01385	3.9
78.21730	0.7
79.01918	0.9
79.25662	0.5
81.03497	1.0
83.01420	0.7
85.02950	1.2
87.00838	1.0
89.02467	1.9
95.01407	1.2
97.02970	1.0
101.02470	1.7
107.01385	3.7
111.00893	1.3
113.02471	1.6
119.03493	0.9
123.00893	6.6
124.01674	5.7
125.02460	71.2
126.02811	2.0
127.25002	0.6
139.00395	2.9
140.01186	1.5
149.99580	0.6
151.00407	3.8
167.03496	0.7
168.00656	11.8
169.01442	100.0
170.01740	3.6
191.08380	0.6
193.01424	1.5
211.02495	9.8
271.04562	6.0
331.06708	65.1
332.07053	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	331.1036
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
54.87819	0.4
54.90384	0.5
55.46463	0.5
56.86204	0.5
57.64111	0.4
59.01384	0.5
62.99297	0.4
69.43431	2.2
69.43826	1.0
71.01379	1.6
72.99343	0.7
74.78474	0.5
81.14755	0.4
85.02967	2.1
90.50123	0.5
98.22510	0.7
101.02443	0.8
110.00096	7.5
113.02431	2.5
122.03781	0.5
123.00903	0.5
124.01641	1.0
125.02456	7.6
137.02478	0.5
137.99582	9.3
139.00377	2.1
140.01147	0.6
152.01152	3.0
153.01952	100.0
154.02382	4.8
155.03552	2.4
161.04509	0.8
166.02757	0.9
167.03517	10.6
168.04300	51.8
169.01428	2.3
169.05075	7.3
176.05882	0.4
179.03482	0.8
181.05162	0.5
191.03464	0.5
196.03876	0.7
209.04523	1.3
229.20277	0.6
331.06766	0.9
331.10394	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	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
57.03453	4.6
58.00600	4.0
59.01384	74.9
60.62833	1.8
68.34840	1.5
69.03443	1.8
69.23813	3.7
69.24220	10.7
71.01390	100.0
72.01728	2.3
72.99300	5.8
73.02953	13.8
75.00905	1.7
81.07095	12.0
83.01389	9.2
85.02957	31.4
85.03430	3.2
86.00103	8.1
87.00867	12.6
89.02457	73.5
95.01399	6.8
95.92376	1.5
99.00896	7.7
100.63956	1.6
101.02454	60.7
101.06089	3.3
113.02457	40.7
113.22282	1.8
119.03510	34.7
122.06150	2.2
123.00889	2.3
124.01694	2.4
125.02479	6.3
131.03537	2.7
141.85027	1.7
143.03499	4.3
149.04561	2.1
151.00433	4.0
152.01141	2.4
152.07236	2.1
153.01973	3.1
159.02995	4.6
159.06653	14.3
161.04562	33.5
164.45959	1.6
169.01447	5.0
176.48921	1.7
179.05664	5.6
186.82646	1.7
211.02492	3.4
214.02740	3.4
215.03328	1.7
242.02223	2.5
256.97266	1.7
259.02460	5.0
270.01608	3.1
271.02438	17.4
271.04739	1.8
271.99585	1.9
287.01993	8.9
315.98627	14.3
316.02274	38.4
316.05521	3.0
316.98950	2.1
317.02448	3.1
331.00949	13.8
331.04678	23.4
331.12732	7.3
332.04681	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	1.2
69.03458	10.5
69.62540	2.6
69.62937	1.9
71.01383	1.5
79.09542	0.9
97.02958	50.2
98.21962	2.2
98.22517	1.1
111.04530	1.2
125.06113	2.7
129.27487	1.1
131.75499	1.0
138.20538	1.0
148.47606	1.0
152.00949	2.4
154.46512	1.0
176.25868	1.1
178.02425	6.2
191.03221	6.4
210.01491	7.0
219.06380	8.2
219.09776	1.1
233.07761	1.2
233.11612	2.1
261.11093	59.1
262.11865	100.0
263.12292	4.8
294.10837	14.1
313.17941	2.3
331.18878	20.1
332.18964	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	331.2284
Annotation	Tessmannic acid methyl ester
Peak:m/z	Relative Intensity
53.16558	0.7
66.36018	0.7
87.30188	0.7
100.68680	0.7
124.53123	0.7
145.30379	0.8
189.68637	0.7
215.10736	1.4
228.11534	1.3
228.75694	0.8
284.17706	1.3
299.20175	100.0
300.20511	12.8
331.19031	1.6
331.22778	18.3
332.23111	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	331.2493
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.22327	0.7
50.34981	0.8
52.06623	0.7
63.63211	0.7
69.11704	7.4
90.46164	0.7
90.74454	0.8
96.68803	0.7
125.09717	1.6
127.11283	7.9
143.10640	0.9
155.10785	3.3
157.12320	5.3
168.18625	0.9
169.01395	1.9
171.10284	2.6
214.04938	0.9
216.19252	0.7
271.04666	0.8
295.22690	2.4
313.23880	8.0
329.23312	4.2
331.24924	100.0
332.07007	0.9
332.25229	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	331.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.2
60.01714	0.6
61.98837	100.0
68.94814	3.9
74.88232	0.3
118.99398	0.4
128.80399	0.4
144.18591	0.3
159.01503	2.3
160.01630	4.2
161.01216	4.2
161.98988	3.7
162.01750	0.7
171.97438	0.8
175.31241	0.4
187.00961	2.3
187.98816	0.9
188.01079	4.8
188.98262	0.6
189.00719	8.9
189.98480	37.0
190.96416	0.7
190.98555	2.3
201.02576	4.7
202.02809	1.1
203.02429	1.1
204.00014	7.4
205.00067	0.6
289.95999	0.7
337.14520	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	332.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90116	24.5
55.01246	25.2
59.01379	37.3
65.00331	21.7
65.83666	24.6
71.21034	23.6
71.27554	22.8
71.27996	25.0
74.22003	25.6
75.68281	28.1
88.20103	25.3
107.01425	32.2
125.02495	64.2
127.47266	25.6
151.00407	100.0
169.01485	39.4
177.01927	28.8
178.99892	82.0
187.57613	24.3
206.99422	24.6
245.08177	78.2
271.02484	26.0
317.02570	46.9
332.04877	53.3
332.25085	28.0
333.02563	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32661	0.9
59.01364	1.6
63.99176	1.0
70.22935	2.8
78.95914	99.0
80.86396	0.9
96.96391	1.3
96.96979	17.2
106.21616	1.0
116.21203	0.8
150.97958	0.9
152.99606	73.2
167.52686	1.0
171.00696	8.8
241.01227	36.3
242.01671	1.3
259.02258	1.3
269.00070	1.0
330.83005	0.9
333.05948	100.0
334.06152	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	333.0619
Annotation	Cedrin
Peak:m/z	Relative Intensity
53.84476	0.3
55.93252	0.3
58.71440	0.3
59.01371	0.7
65.00314	0.4
67.01907	0.4
69.03454	0.9
70.45565	0.8
71.31998	0.3
77.03979	1.8
78.16800	0.3
83.01392	2.3
85.02980	0.4
90.78808	0.4
92.05084	0.6
93.03470	3.0
95.01392	1.7
97.02956	11.1
98.38156	0.4
109.02949	2.8
119.63926	0.4
121.02972	11.2
123.00900	1.1
132.14618	0.3
133.27507	0.4
136.04044	0.5
137.02457	36.6
138.02780	0.8
138.33807	0.4
139.04019	0.9
145.36180	0.4
151.00175	0.4
161.02530	0.6
163.00348	1.0
165.01944	100.0
166.02267	3.6
175.00580	0.5
187.00607	0.5
187.03815	0.4
197.04564	37.6
198.04890	2.0
209.00958	1.5
214.99831	0.5
223.02370	0.6
230.99347	0.5
233.00978	0.5
261.00449	1.4
286.98279	1.0
288.99887	0.4
290.14008	0.4
300.68701	0.4
301.03500	5.6
302.03787	0.6
314.97861	3.9
333.02484	0.6
333.06186	2.7
333.09747	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	333.0982
Annotation	Scandenolide
Peak:m/z	Relative Intensity
64.56446	1.0
69.42619	6.0
78.01498	1.0
84.79966	0.8
93.03429	1.6
95.05034	1.5
99.04523	10.8
105.03462	4.6
109.23310	0.8
121.02970	5.1
124.01611	1.3
125.02448	4.2
127.00330	0.9
137.02458	5.7
139.07721	4.5
149.02455	25.0
149.06049	1.4
150.03236	38.4
151.00337	1.2
151.03822	2.7
152.04765	2.5
159.04564	1.1
164.01102	1.3
165.02000	7.5
166.02731	49.4
167.03268	2.0
171.46117	0.9
173.06020	1.2
174.03189	1.0
175.03998	6.7
176.04613	1.0
177.02017	0.9
177.05598	1.9
177.99049	1.5
182.99380	1.3
188.04715	1.0
189.05595	14.5
190.06351	9.6
193.01434	49.9
194.02202	46.5
195.02530	1.2
204.04240	1.0
209.00931	51.1
210.01244	2.1
215.07185	1.5
216.04860	1.0
216.07169	0.8
245.11823	4.9
289.10843	53.3
290.11243	5.2
333.09824	100.0
334.10144	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	333.0984
Annotation	Mesquitol-4beta-ol 3,8-dimethyl ether
Peak:m/z	Relative Intensity
50.96966	0.6
58.55561	0.5
65.00336	0.9
67.01875	1.0
70.57720	0.6
71.01376	0.9
72.99317	1.4
75.50928	0.6
77.09566	0.5
77.88603	0.5
83.01387	0.6
95.01408	3.7
97.02943	1.2
98.21765	1.1
101.11945	0.6
104.38090	0.5
107.01398	2.4
109.02966	0.9
109.06105	0.6
110.00101	1.7
111.00890	5.4
123.00897	14.9
124.01704	3.1
125.02462	18.8
127.00391	2.6
136.98831	3.9
139.00391	8.8
139.04031	2.2
140.01170	10.1
141.01942	1.2
151.00349	1.7
151.04039	0.7
153.01965	1.4
154.99934	0.8
166.06348	0.9
166.99876	7.8
168.00656	13.4
169.01457	16.3
173.06116	0.6
181.01404	1.2
183.03020	4.4
194.46184	0.6
195.02992	3.3
235.63939	0.7
245.08231	0.9
314.97748	1.3
318.07474	31.8
319.07755	2.6
333.09830	100.0
334.10184	10.2
356.32187	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	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.9
57.03456	8.9
59.01389	25.3
61.63945	1.2
66.20623	1.3
69.03459	1.6
69.14343	12.2
71.01390	93.0
71.05020	7.0
72.01716	2.0
72.99336	1.6
73.02571	2.5
73.02952	27.1
75.00837	1.5
83.01397	12.9
85.02958	46.3
86.03291	1.7
87.00890	4.6
89.02455	9.1
95.01384	9.1
97.02943	2.0
99.00872	11.9
101.02455	46.0
113.02466	36.3
113.03268	1.5
119.03513	4.3
125.02489	1.5
127.11300	26.8
129.64160	1.3
131.03397	1.3
153.09248	3.4
157.35832	1.3
159.03041	3.9
161.04539	9.5
171.10286	100.0
172.10622	4.3
262.72467	1.4
298.10913	1.7
333.15695	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	333.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98778	0.4
55.01880	0.9
57.03443	1.0
58.00597	1.1
59.01383	21.5
60.18076	0.4
65.00326	0.5
70.60049	0.5
70.60405	0.9
71.01391	15.1
72.99310	1.2
73.02946	2.2
73.51234	0.5
83.01401	2.5
85.02963	4.9
87.00901	0.6
89.02457	8.0
95.01395	1.5
97.02940	0.8
99.00872	0.7
101.02456	9.5
106.53631	0.5
109.02962	1.3
111.00879	0.7
111.08174	1.9
113.02473	3.8
119.03506	2.7
121.02979	1.0
123.04539	1.1
125.02452	2.0
125.09743	2.2
135.00842	0.5
137.02446	1.0
149.02441	0.6
151.03993	1.2
153.09238	4.2
159.04527	0.6
163.00406	4.3
165.01924	1.9
169.01385	0.5
171.08803	0.8
171.10283	15.1
172.10608	1.0
177.01894	0.9
201.05338	0.5
214.99916	0.5
229.05070	1.3
231.02980	0.7
289.07162	0.5
314.97958	0.7
315.05127	7.0
315.14252	0.6
316.05460	1.0
333.06894	5.0
333.15579	100.0
334.06332	0.7
334.15909	8.7
352.90237	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	333.2077
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
61.98828	10.8
64.19592	5.1
69.03445	5.0
70.78076	9.1
101.94685	4.8
114.45828	4.4
132.31454	4.8
134.51665	4.6
289.21783	100.0
290.22003	11.3
290.76822	5.2
333.20728	31.5
349.70184	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	333.2075
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
54.45652	1.5
70.30737	4.6
79.49213	1.4
95.01392	8.1
109.02961	4.6
110.00119	1.8
123.00909	51.5
124.01727	2.3
125.02457	1.6
125.54022	1.4
137.02467	18.3
138.03206	2.1
139.04022	4.0
151.00404	4.6
151.04004	2.3
165.01965	26.4
167.03471	4.5
179.03560	4.3
193.08681	5.4
221.08202	2.1
229.94359	1.5
247.13452	3.5
261.14941	1.7
274.46643	1.5
305.21143	3.3
318.18320	6.0
333.20755	100.0
334.21329	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2075
Annotation	PGB2
Peak:m/z	Relative Intensity
62.75422	0.5
68.43274	0.4
70.54383	1.9
70.54782	0.5
95.18766	0.5
100.49227	0.5
109.02997	2.6
116.92844	0.7
123.00880	0.6
125.02422	1.9
137.02466	2.6
138.03247	6.0
142.02730	1.5
151.04054	1.1
152.04811	0.5
165.01923	1.7
165.05585	0.8
166.02725	2.5
179.03494	7.1
180.04282	2.4
193.05028	3.7
198.01691	3.5
235.09758	0.8
236.10574	1.4
305.21231	6.6
315.19397	0.7
333.20755	100.0
333.23633	3.6
334.21124	11.2
334.24945	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	333.2076
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
52.80604	0.5
54.68804	0.6
58.57521	0.5
69.91065	2.5
75.58603	0.5
77.51361	0.9
81.95709	0.7
98.22348	1.2
99.04514	0.8
101.80241	0.6
108.71884	0.6
109.01463	0.5
119.63235	0.6
126.30009	0.6
192.77394	0.7
271.20645	1.7
273.18378	0.6
282.59048	0.8
289.21750	100.0
290.22092	10.6
315.19717	2.4
333.20737	99.4
334.21088	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	333.2075
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
52.00556	3.1
59.01356	3.4
62.40560	3.0
69.03465	9.9
94.90197	3.1
97.02979	9.4
98.22608	9.7
107.05034	4.1
131.40904	3.5
139.85480	3.4
161.09720	5.2
175.11342	9.2
177.12949	6.3
229.07649	3.3
229.15973	5.6
245.19142	18.5
253.19731	4.4
259.20682	12.0
271.17783	4.0
271.20557	16.1
273.18637	23.7
287.20190	4.8
289.21783	95.1
290.22159	7.7
314.97754	4.4
315.19595	3.9
333.20737	100.0
334.21008	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	333.9267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
59.01385	3.3
60.01726	0.8
60.85441	0.7
61.01838	0.9
69.22130	6.2
71.01383	4.8
72.99304	4.4
74.99388	0.7
78.95911	100.0
85.02966	1.6
87.00842	1.4
87.92538	52.9
89.02449	1.8
93.03480	5.3
96.96968	19.7
98.21761	1.3
99.00870	1.1
101.02454	0.7
101.92508	0.7
103.92039	60.7
104.92817	27.0
105.57844	0.7
105.92924	1.3
105.93595	8.6
106.94392	3.6
106.96029	0.8
111.00881	2.9
111.04564	0.9
112.01193	1.3
114.94896	1.1
115.00394	3.0
117.91891	0.8
119.91514	4.7
123.00921	1.5
123.94656	23.8
125.02474	4.0
126.02801	1.4
127.02914	1.5
128.96817	3.2
130.94394	1.5
130.98387	1.7
133.01410	1.8
137.02458	4.3
143.95166	0.9
145.96710	1.7
147.94670	4.4
150.98035	1.1
151.00351	1.0
152.99603	64.8
153.99948	9.9
155.00011	1.6
155.03471	2.5
156.95987	1.2
157.96700	2.2
158.93861	3.4
159.01080	1.7
160.01428	1.5
160.91716	2.0
161.96214	1.4
162.93306	1.1
169.01378	4.6
170.01689	2.8
171.00632	6.4
171.01924	3.4
171.94633	0.9
172.01025	1.6
172.02335	1.5
172.99466	8.3
173.96185	6.7
175.94156	1.7
184.95787	2.3
192.86745	0.7
199.94057	3.1
200.95216	1.1
213.02977	1.4
217.95207	12.3
227.93613	2.9
241.01196	26.5
242.01552	8.4
244.97754	2.5
245.94682	9.0
247.02402	0.9
259.02274	2.1
263.02496	1.1
273.90439	3.0
289.93604	1.0
315.91611	5.7
333.05933	42.5
333.92578	1.8
334.03174	2.3
334.06277	39.7
335.06525	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	335.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97772	0.6
56.37901	0.5
59.01384	0.6
60.82061	0.5
64.58763	0.5
70.58745	0.7
70.59054	0.9
73.02948	2.0
82.06559	0.5
83.05018	1.3
85.02924	0.6
93.03468	12.3
96.96027	2.0
99.04558	0.6
107.05025	1.9
109.02967	1.1
111.04522	4.0
111.50706	0.6
125.02487	1.1
133.02962	7.8
134.03773	6.6
135.04541	100.0
136.04846	4.4
137.02466	5.4
151.00363	0.6
155.03528	2.0
161.02460	24.0
162.02831	1.0
173.02455	0.6
173.04582	1.9
179.03514	79.9
180.03848	3.8
182.67787	0.5
191.03493	2.1
191.33034	0.6
199.31627	0.5
209.00885	0.6
221.04785	0.5
229.43750	0.5
247.02521	1.9
275.06091	0.8
302.82996	0.6
335.04077	1.9
335.07767	18.0
336.08026	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	335.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.8
59.01370	1.4
71.21540	1.0
79.96939	0.9
80.13024	0.9
81.03436	1.1
83.01378	1.4
93.03472	3.6
95.01415	2.3
96.96026	1.4
97.02943	2.2
105.03475	1.2
109.02942	4.9
116.38908	0.8
119.05042	1.4
121.02980	8.0
123.00903	1.3
125.02459	100.0
126.02813	3.8
133.02945	0.9
137.02460	14.8
139.03979	1.3
147.04530	0.8
149.02469	5.2
155.03537	1.1
163.00391	2.2
164.01186	11.0
165.01942	41.2
166.02264	1.8
169.01437	2.3
175.03905	1.0
177.01952	66.0
178.02321	3.4
190.46297	0.9
197.04585	17.2
219.03056	1.3
222.99011	1.1
228.60924	0.8
303.05081	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	335.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02663	0.4
57.03450	0.6
65.03961	0.5
67.01881	0.5
69.42700	0.9
69.43117	2.1
71.01366	0.4
73.02948	1.8
79.88702	0.4
81.03477	0.9
83.01411	1.3
83.05056	1.9
85.02956	0.5
93.02882	0.7
93.03472	13.7
95.01436	0.7
97.83525	0.4
98.21848	0.8
98.22399	0.6
99.00894	0.6
99.04580	0.4
107.01377	0.7
107.05042	1.9
109.02966	3.3
111.00922	0.4
111.04544	3.5
117.03483	0.6
123.04546	0.8
125.02451	2.7
125.85063	0.4
133.02974	8.7
134.03777	6.4
135.04543	100.0
136.04881	4.1
136.45921	0.5
137.02480	6.4
151.00398	2.7
153.01941	4.1
155.03488	2.0
161.02463	24.5
162.02777	1.3
163.00398	0.6
163.04039	0.4
165.01944	1.0
167.03555	1.4
173.04579	1.8
173.08203	0.6
175.04076	0.6
176.06999	0.4
177.02045	0.4
179.03522	86.0
180.03848	4.3
181.01445	2.3
191.03465	0.5
203.03603	0.5
204.16505	0.4
220.73599	0.4
231.02826	0.5
252.01456	0.4
273.03989	0.6
282.18161	0.5
311.08911	0.5
317.02951	2.6
318.03036	0.5
335.04108	2.5
335.07733	21.6
336.08029	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	335.1139
Annotation	Paeoniflorone
Peak:m/z	Relative Intensity
51.46679	1.6
59.39348	1.4
65.00306	1.8
67.01901	1.6
69.17452	11.0
71.01364	2.5
72.99310	2.3
80.50843	1.4
83.01385	3.4
90.31223	1.5
98.21798	3.4
106.00585	1.6
107.01377	4.7
110.00107	2.8
111.00896	21.7
120.06036	1.4
123.00871	6.0
124.01685	9.6
125.02459	17.7
126.02835	1.8
127.00403	7.9
136.98816	14.6
139.00372	22.1
140.01178	36.9
141.01526	2.1
151.00398	8.9
154.99937	3.1
168.00645	48.8
169.01440	36.1
183.10329	8.0
213.83969	1.5
216.36673	1.4
291.12405	14.5
317.10391	13.9
335.11389	100.0
336.11804	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	335.1138
Annotation	Paeoniflorone
Peak:m/z	Relative Intensity
51.81853	1.2
55.01882	1.2
59.01363	3.3
62.87530	1.0
65.00338	2.5
67.01875	3.7
68.99797	1.6
69.50983	1.1
70.43497	1.0
71.01373	3.8
72.17510	1.0
72.99300	3.2
79.78909	0.9
83.01392	4.6
87.00854	2.1
94.55048	1.2
96.99258	1.3
98.21741	2.7
99.00862	1.9
106.00619	1.7
107.01393	2.9
110.00111	5.8
111.00899	28.9
123.00896	6.7
124.01662	13.1
125.02478	9.2
127.00380	11.3
136.98831	19.5
137.99156	1.1
139.00398	31.1
140.01183	44.2
151.00388	9.6
154.99869	3.4
168.00653	59.5
169.01451	19.2
183.10339	8.6
188.40744	1.1
212.13846	1.1
247.13361	1.7
291.12442	21.2
292.12735	3.3
317.10300	20.6
334.99042	1.9
335.11392	100.0
335.22290	8.6
336.11774	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	335.1141
Annotation	Paeoniflorone
Peak:m/z	Relative Intensity
50.83630	0.3
51.53508	0.3
55.01867	0.4
59.01370	0.4
65.00311	1.0
67.01868	1.2
68.99806	0.8
69.03429	0.9
69.29827	0.8
69.30248	1.7
71.01397	1.7
72.99329	1.7
72.99671	0.3
73.06989	0.3
81.03439	0.5
83.01392	1.5
87.00876	0.7
95.01382	1.7
96.99352	0.5
97.02996	0.7
98.57194	0.4
101.54874	0.3
106.00613	0.7
107.01399	4.3
110.00095	2.6
111.00892	9.9
123.00896	5.1
124.01647	4.8
124.02493	0.3
125.02461	30.8
126.02791	1.2
127.00389	4.2
136.97809	0.5
136.98820	6.5
138.99312	0.7
139.00378	11.3
140.01173	17.0
141.01927	0.8
151.00378	5.5
153.09183	0.9
154.99904	1.6
155.86714	0.3
168.00652	21.5
169.01437	30.3
170.01775	1.3
181.01387	0.6
183.10277	3.4
222.95763	0.3
274.03497	0.4
291.12372	1.2
335.11380	100.0
336.11719	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	335.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28148	2.9
61.98839	5.2
63.13991	2.3
68.79956	2.3
82.03011	11.5
92.05067	100.0
93.05431	4.2
98.02477	27.0
98.21734	6.6
111.03256	14.0
116.07192	86.1
119.01421	3.6
120.05381	2.9
125.02460	3.9
126.05627	8.8
126.09253	5.5
130.06645	32.4
130.08737	6.5
131.05003	3.5
136.04054	52.2
136.05016	4.8
137.04454	2.8
140.07556	2.6
146.06172	4.1
154.08768	23.7
174.05611	56.2
195.29614	2.5
198.07747	38.2
202.85902	2.5
205.08687	6.2
218.04587	79.3
219.04953	5.7
229.43079	2.9
257.86313	2.6
317.11411	2.9
320.08652	6.9
335.12592	38.0
336.12842	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	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
58.00595	4.1
59.01387	100.0
60.01690	0.9
67.65035	0.8
68.62894	1.0
71.01392	59.9
71.22529	0.9
72.99320	5.3
73.65408	0.9
76.34443	0.9
83.01392	2.9
85.02959	11.2
87.00893	3.0
89.02455	60.9
90.02821	1.1
95.01387	3.8
98.22603	2.4
101.02457	39.3
113.02467	22.7
119.03515	30.7
121.34015	0.9
127.59380	0.9
131.03542	1.5
143.03522	1.8
149.04558	1.9
155.10794	3.5
161.04588	1.8
173.11830	5.0
179.05605	2.8
194.87895	1.0
211.50177	1.0
247.40816	0.9
248.37779	0.9
255.08400	1.0
306.66489	1.0
335.17160	51.1
336.17581	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	335.2233
Annotation	Cladiellaperoxide
Peak:m/z	Relative Intensity
57.03466	25.6
64.43453	4.6
69.03478	10.3
70.46828	14.8
71.05011	5.7
83.05031	6.9
93.03568	4.7
95.05039	4.5
99.04519	8.6
111.08176	8.9
130.99112	4.9
145.49170	5.3
151.11292	5.8
155.07135	22.4
167.10748	5.0
203.18094	11.1
242.66714	5.5
251.43904	4.8
256.44379	5.0
317.21399	8.8
335.18750	3.7
335.22321	100.0
336.22580	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	335.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43602	0.8
69.03360	1.5
69.03750	6.6
71.05028	0.8
83.05025	0.7
83.38326	0.7
89.34116	0.6
111.04539	2.7
111.31927	0.7
119.05087	0.7
125.02528	1.0
135.76358	0.6
139.24522	0.8
145.02931	1.1
153.98436	0.7
185.09673	1.0
187.11188	0.8
189.12848	1.3
201.12817	2.8
203.14473	2.1
225.60849	0.7
255.17567	1.0
271.20709	3.7
273.22348	2.1
274.22720	0.8
291.22977	2.1
317.21301	7.3
333.88718	0.8
335.22305	100.0
336.22644	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	336.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29639	0.6
61.98835	2.9
70.06599	1.8
70.06997	1.5
84.69997	0.6
85.02934	1.0
92.62260	0.7
95.05006	0.8
119.05017	1.4
130.08754	90.5
131.09068	2.4
133.06639	3.5
134.03754	8.6
143.08665	0.9
145.02956	0.8
147.08211	0.9
149.09738	3.1
156.06674	7.9
160.05312	17.6
161.05989	2.5
161.09743	4.3
175.07663	2.2
177.05568	1.3
179.10835	2.5
187.07654	1.9
205.08710	100.0
206.09016	6.4
336.18225	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	337.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.9
65.03946	2.5
67.01898	1.8
67.90510	1.8
69.76650	7.5
69.77012	3.0
71.01376	1.7
75.00880	2.5
79.05527	2.7
85.02946	6.8
89.02431	2.0
91.05559	2.9
93.03469	4.9
96.96002	2.4
99.00872	7.2
105.03430	5.5
105.07094	4.4
107.05017	7.1
109.02934	2.6
111.00904	3.5
111.31297	1.7
115.05540	2.6
117.03483	4.0
117.93809	2.7
119.05024	6.3
121.02977	7.6
121.06595	12.5
123.00835	2.0
123.04523	6.7
125.02444	7.0
130.06639	2.8
131.04997	4.3
133.02965	3.2
133.06618	28.2
135.04532	21.6
137.02443	8.3
143.05043	4.1
145.02988	13.5
146.03754	6.6
147.04518	2.3
149.02454	15.2
149.06068	11.7
151.04025	24.0
158.75621	1.8
159.04543	21.4
160.05321	3.6
161.02449	6.6
161.06093	41.3
162.03264	12.3
162.06471	3.3
163.04019	61.2
163.94298	2.6
164.01208	1.9
164.04373	3.3
165.01936	7.7
167.03334	1.8
169.01427	6.4
175.03998	5.2
177.01935	5.6
177.05589	20.0
187.04028	32.6
190.02734	16.2
191.03523	5.1
193.01433	75.3
194.01782	5.8
203.03482	10.0
204.04214	3.3
205.05074	100.0
206.05360	6.0
219.03017	3.6
221.04608	3.4
231.03003	4.5
233.00890	4.3
237.00420	6.9
247.02397	2.2
249.04066	69.3
250.04428	5.5
275.02139	2.5
277.00623	13.0
293.03024	10.7
336.98059	3.8
337.02023	57.4
337.07980	2.3
337.14954	2.6
338.02374	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	337.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03909	1.1
55.01878	1.5
59.01382	6.8
62.75658	1.1
65.03949	2.3
68.99802	1.4
70.79018	2.2
71.01385	7.5
72.99311	2.2
73.02926	1.5
74.54875	1.0
75.00867	1.2
79.05521	1.3
81.03416	0.8
83.01402	6.2
85.02953	3.6
87.00883	4.9
87.82095	0.8
91.05577	1.0
93.03474	3.2
95.01402	1.5
99.00893	13.5
101.02462	1.5
105.03477	3.0
105.07117	2.6
107.05035	4.6
108.02197	1.3
109.02975	13.8
111.00886	3.2
113.02452	1.3
115.00386	15.9
117.01948	1.1
117.03460	2.5
119.05042	5.2
121.02955	4.6
121.06602	10.1
123.04511	5.3
125.02464	2.0
127.00401	1.9
129.01936	1.9
131.05098	4.4
132.02168	1.3
133.02963	9.3
133.06610	14.8
134.03712	1.0
135.04544	15.3
137.02481	5.1
137.06084	1.4
138.01898	1.3
139.03911	1.0
143.05016	1.5
145.02977	8.6
146.03728	3.6
147.04564	9.2
148.05334	6.5
149.02466	11.2
149.06102	100.0
150.03250	1.6
150.06427	5.1
151.04028	13.9
153.01959	1.4
159.03174	2.1
159.04526	12.2
160.05310	2.0
161.02466	28.9
161.06096	26.0
162.03250	6.9
162.06477	1.8
163.00398	1.7
163.04031	37.7
164.01123	1.4
164.04347	2.3
165.01938	6.8
165.05605	4.8
174.03241	2.4
175.02472	8.8
175.04013	15.5
176.04576	0.9
177.01978	15.4
177.05579	12.4
179.03479	2.6
183.02917	1.3
187.04037	17.1
188.04564	2.0
189.01970	1.7
189.05588	3.8
190.02763	8.2
191.03523	5.9
192.04294	1.5
193.01442	42.1
193.05098	16.6
194.01762	1.8
202.37971	1.0
203.03534	6.3
204.04199	1.3
205.05077	52.5
206.02203	3.3
206.05420	4.4
217.01512	1.4
219.03023	26.4
220.03305	1.9
221.04518	2.8
231.02960	2.5
231.06644	1.9
233.00912	3.0
233.04553	11.0
237.00311	3.3
237.04080	42.8
238.04344	2.3
247.02522	1.7
249.04071	44.8
249.07790	2.4
250.04387	1.3
273.00327	1.3
275.02286	1.6
275.05585	1.6
277.03586	6.3
285.83179	1.1
293.03027	7.4
293.06696	5.8
319.04703	1.8
337.02005	29.5
337.05740	7.7
338.02298	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	337.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
57.18691	0.6
59.01371	2.0
69.28983	4.3
71.01386	2.1
72.99326	1.0
79.05528	0.6
79.95744	3.5
80.96524	3.3
82.98508	0.7
85.02962	2.0
87.00883	1.4
89.02467	1.5
93.03468	1.2
94.79692	0.5
96.16573	0.6
96.96022	100.0
97.95959	0.6
98.21752	0.8
99.00894	2.4
101.09129	0.6
105.03477	1.4
105.07111	1.2
107.05034	1.6
109.02963	1.2
111.00906	0.7
113.02480	1.5
113.99593	1.5
115.05577	0.7
119.05035	2.6
121.02963	1.7
121.06610	2.7
123.04546	2.5
124.01588	0.8
125.02454	4.9
131.66660	0.7
133.06625	5.4
134.03680	0.8
135.04579	3.9
135.10585	0.6
137.02448	2.8
138.97078	1.3
143.05038	1.0
145.02969	2.9
146.03731	0.9
147.04494	0.7
149.02477	4.1
149.06123	2.9
150.97063	1.0
151.04033	5.8
159.04552	5.5
161.02452	1.3
161.06088	8.9
162.03259	2.7
163.04027	13.3
164.01190	0.9
164.04460	0.8
165.01961	2.4
167.03482	3.2
169.01448	2.7
170.01788	0.7
174.01730	1.4
175.04028	0.8
176.03610	0.9
177.05582	4.8
177.97928	0.6
187.04034	7.9
189.01880	0.7
190.02769	3.9
191.03564	0.9
192.98193	1.2
193.01434	16.9
194.01796	0.8
203.03539	2.6
205.05089	18.9
206.05444	1.4
210.99222	15.7
221.04617	0.7
231.03035	3.0
233.00958	0.9
237.00441	1.5
242.75217	0.6
244.62122	0.6
247.02757	0.8
249.04082	15.4
250.04518	1.5
275.01929	1.9
277.05829	1.5
293.03036	3.1
337.02322	68.7
337.07642	5.9
338.02661	4.2
356.03580	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48468	0.9
51.26600	0.7
59.01844	0.9
69.28476	6.7
105.03458	1.6
108.02174	1.0
111.06254	0.9
117.03455	6.6
119.05036	2.1
121.03011	1.8
129.03468	2.6
133.02945	3.4
137.02449	1.0
143.83839	0.8
145.02971	22.2
146.03601	1.1
147.00894	2.0
147.04558	2.4
148.01692	3.0
149.02434	1.8
157.02977	4.7
158.03712	1.3
159.04498	1.2
160.01659	1.0
161.02435	8.0
162.03116	2.1
163.00458	1.5
163.04036	5.9
173.02464	18.4
174.03230	10.9
175.00345	1.5
175.03917	2.6
176.01147	3.7
177.01956	6.2
177.04268	0.9
177.05620	2.5
178.99887	1.3
179.03525	2.2
185.02452	4.5
187.04050	1.7
189.01935	15.4
189.05640	1.3
190.02730	19.8
190.99899	1.1
191.03348	2.3
192.00569	4.2
193.01399	4.8
201.01962	26.7
202.02579	3.8
202.99907	1.2
203.03543	4.9
204.00644	2.4
204.04137	1.1
205.01472	4.7
205.05040	2.7
207.03003	1.3
213.01950	2.0
217.01418	16.3
218.02220	18.5
219.02792	1.4
221.04472	0.9
229.01427	33.3
230.02100	6.3
230.99484	1.2
231.02980	8.6
232.00128	10.1
233.04602	7.6
235.02574	1.8
243.99971	1.1
245.00948	13.5
246.01711	9.1
247.02396	3.7
248.03249	1.4
249.04027	11.0
261.01010	1.2
261.04059	18.5
263.01923	1.6
273.00439	15.4
277.03558	38.9
278.03986	3.8
293.63351	1.0
296.81955	0.9
305.03064	100.0
306.03378	8.3
309.56311	1.0
337.05688	78.2
338.06003	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	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
57.03453	11.2
59.01384	3.6
67.01904	1.7
68.00669	1.4
68.99808	2.3
71.01372	5.2
74.59613	1.3
74.92365	1.3
83.01393	4.2
84.02168	3.1
85.02956	100.0
86.03311	2.3
86.26150	1.5
87.00877	1.3
93.03474	11.4
97.02969	2.8
98.38648	1.4
111.00885	5.4
117.03458	9.3
119.05038	78.0
120.05343	1.6
125.02464	2.8
127.83772	1.3
129.01955	36.6
131.05054	1.5
133.06587	1.9
140.04544	1.7
145.02965	70.1
146.03308	3.0
147.03078	6.9
147.04561	2.1
161.06082	1.6
163.04024	57.3
164.04369	3.0
173.00934	1.8
173.04523	2.1
177.05609	3.5
187.07608	1.5
191.01993	42.9
191.05618	79.2
192.05984	1.5
203.07175	5.8
213.08855	1.4
229.34453	1.6
231.06625	27.5
232.06825	2.2
277.70544	1.6
292.35071	1.3
337.05533	5.4
337.09222	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	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.0
59.01373	2.0
61.04049	1.5
71.01380	1.9
82.20392	1.3
83.01414	1.9
85.02961	73.0
87.00922	1.7
93.03478	7.5
98.21741	4.0
106.55032	1.6
111.00913	8.1
117.03486	1.4
119.05042	70.7
120.05387	4.0
129.01952	22.6
135.04544	1.8
145.02968	2.8
147.03038	3.4
163.04028	100.0
164.04362	6.0
173.00906	4.6
173.04593	2.4
179.03488	2.1
191.02003	26.7
191.05614	30.7
192.02190	2.0
193.01430	2.9
205.05128	2.9
231.02867	1.7
233.67079	1.6
249.04117	1.7
326.32330	1.6
337.02298	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	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03452	10.0
59.01393	6.8
60.77251	1.0
69.28282	4.0
69.28700	2.9
71.01388	6.7
72.99304	4.8
75.00867	2.6
83.01385	1.7
84.02145	2.9
85.02953	100.0
86.03300	2.5
87.04517	14.2
98.22483	2.1
99.00896	1.3
113.02454	2.6
117.03456	5.4
119.05036	4.0
125.19552	1.1
136.35132	1.2
145.02985	18.3
146.03262	1.0
147.03006	45.3
148.03368	1.2
163.03967	1.4
249.06233	1.9
272.36600	1.1
293.06616	1.4
337.11447	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	337.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97052	1.7
55.01881	2.0
57.03458	12.0
59.01374	7.3
60.86677	1.6
71.01382	4.1
71.27308	1.8
75.83691	1.6
83.01376	2.7
84.02190	2.5
85.02959	100.0
96.74675	1.4
111.00883	2.2
117.03459	4.9
119.05039	24.1
120.05354	1.7
123.04639	1.4
125.02480	2.6
129.01950	9.5
133.88272	1.5
135.04524	1.6
137.02470	1.6
145.02959	19.3
147.02997	11.7
149.02458	3.2
161.06137	3.2
163.04015	32.1
164.04460	1.8
169.01451	2.5
176.03526	3.2
177.05598	2.8
179.00224	1.5
187.04065	2.5
190.02797	1.9
191.01993	51.2
193.01457	4.8
205.05153	7.9
228.95363	1.7
237.25189	1.5
249.03975	6.8
293.02887	2.8
325.15820	1.8
337.01968	5.4
337.05722	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	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73637	1.0
55.01881	1.9
57.03452	13.8
59.01371	5.3
59.98995	1.1
70.96645	3.0
72.00931	3.7
74.02487	6.2
82.02991	4.3
83.01427	1.5
84.02171	1.6
85.02961	100.0
86.03326	1.3
92.05071	21.3
98.02478	1.9
103.00383	1.9
111.00892	2.3
112.04075	2.3
117.03483	2.3
118.05121	13.9
119.05043	31.8
121.01612	1.4
125.02492	1.5
129.01958	8.2
130.06671	6.7
132.02130	1.7
136.04057	19.5
137.02426	1.9
137.04315	1.3
138.05611	3.6
145.02960	16.6
147.02975	8.2
156.03062	7.7
156.06667	2.5
160.01616	3.5
163.00452	1.6
163.04030	30.9
173.01059	1.4
174.05579	6.5
175.04016	2.1
191.01996	49.5
191.05635	4.8
192.02347	2.7
200.05664	5.1
205.05074	1.4
218.04646	10.5
219.78844	1.4
231.06610	3.8
337.05499	1.8
337.10446	4.2
337.14371	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	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04092	2.0
54.47684	2.3
55.01884	2.0
57.03448	13.4
58.60940	2.0
59.01368	6.5
69.67664	4.8
69.68067	7.0
83.01394	2.4
84.02178	2.7
85.02958	100.0
111.00864	3.1
117.03461	6.6
119.05055	28.8
125.02480	2.9
129.01959	12.5
137.02490	2.7
143.97726	2.1
145.01877	3.2
145.02966	38.2
145.79533	1.8
147.02991	18.6
149.02483	1.9
162.03236	2.9
163.00400	12.6
163.04021	17.9
191.01985	54.7
191.03381	2.0
192.02304	2.4
193.01518	2.6
205.01759	2.3
231.06630	9.0
247.02470	6.2
248.02786	3.7
249.03969	3.8
336.53189	4.2
337.06039	3.2
337.12961	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	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
57.03449	17.3
57.12097	1.4
59.01389	9.3
60.69485	1.5
71.01393	9.1
71.09885	1.3
83.01381	4.1
84.02177	3.8
85.02961	100.0
86.03272	1.8
89.02455	4.8
93.03445	4.1
101.02464	3.9
110.73198	1.7
111.00880	5.3
113.02474	2.9
117.03468	9.9
119.03593	3.4
119.05044	77.0
120.05387	4.2
125.02461	4.6
129.01965	37.3
143.09685	1.5
145.02974	81.0
146.03310	4.8
147.03011	7.5
147.04572	2.6
157.06628	1.5
161.04601	2.8
161.06081	3.5
163.04033	57.7
164.04405	2.0
173.00838	2.3
176.03523	1.7
177.05597	3.6
187.04106	1.5
187.07559	2.1
191.00229	2.3
191.01996	40.2
203.07130	5.3
211.52704	1.5
220.51355	1.8
231.06625	26.5
232.06952	1.9
243.06134	1.6
250.83521	1.5
259.69742	1.4
337.05942	2.9
337.15097	7.6
338.09476	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	337.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	12.7
59.01378	13.9
71.01392	10.6
71.27580	5.7
72.90259	5.2
72.99299	7.5
85.02961	100.0
93.03502	6.0
96.96014	7.2
117.03463	6.9
119.05032	19.6
125.02409	13.3
133.06596	6.0
137.02420	10.5
145.02951	25.1
147.02997	34.9
161.06105	12.1
163.04034	26.8
165.01878	4.9
169.01501	9.9
176.03528	12.0
177.05649	5.3
191.01993	9.5
193.01393	21.8
205.05060	13.3
249.04012	18.7
337.02051	8.1
337.07562	20.8
337.14984	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	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.29941	0.5
53.15461	0.5
55.01881	0.9
57.03450	0.9
58.90937	0.6
59.01368	2.2
68.99804	3.3
69.03402	0.7
69.51859	2.5
71.01374	3.0
72.99295	0.8
73.02949	1.2
75.00858	1.3
75.02217	0.5
78.95888	0.9
83.01388	2.2
85.02950	7.5
87.00869	2.0
89.02441	1.0
93.23576	0.5
95.01402	1.5
96.04572	0.8
96.68446	0.5
97.02914	0.8
98.22557	0.6
99.00884	6.2
100.76472	0.7
101.02453	2.0
108.58159	0.7
111.00909	2.7
113.02460	7.1
113.99597	19.2
115.00397	7.8
127.00410	3.3
129.01956	3.5
139.00366	0.6
141.01918	0.7
157.01447	4.4
169.01392	1.2
174.00203	1.2
174.01697	18.9
175.02463	1.8
188.90686	0.6
209.02971	0.6
216.60271	0.5
277.05676	21.7
278.05927	1.2
333.65497	0.6
337.07770	100.0
338.08115	7.7
351.50449	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	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03453	0.5
59.01382	2.4
68.15365	0.5
68.99831	3.4
69.03449	0.7
69.54862	2.3
71.01384	3.3
72.99306	0.7
73.02950	0.7
75.00869	0.8
83.01396	1.3
85.02959	4.6
87.00892	1.8
89.02418	0.6
93.03471	0.6
94.64186	0.5
95.01393	1.2
98.22505	0.6
99.00893	4.6
101.02456	1.7
105.03487	0.7
105.07122	0.6
107.05025	0.6
111.00872	2.0
113.02449	5.1
113.99604	15.7
115.00407	6.5
117.03438	1.0
119.05003	0.8
121.02969	0.7
121.06591	1.0
127.00373	2.2
129.01952	2.3
131.04944	0.6
133.06627	2.1
135.04515	1.9
137.02470	0.7
139.00423	0.6
145.02916	0.8
146.79834	0.5
149.02429	1.5
149.06085	1.0
151.04018	2.6
157.01436	4.6
159.04538	2.4
161.06104	3.9
162.03207	1.2
163.04025	5.6
165.01965	0.6
169.01437	1.6
174.00208	0.9
174.01706	15.1
175.02425	2.0
177.01941	0.6
177.05559	1.7
187.03984	2.4
190.02708	1.7
190.87048	0.5
191.03491	0.7
191.44998	0.5
193.01436	6.9
203.03503	0.7
205.05077	10.6
206.05400	0.5
214.98172	0.6
233.00829	0.5
237.00458	0.6
249.04060	8.3
250.04434	0.7
275.45480	0.5
277.05655	19.1
278.05942	0.9
293.03101	1.5
337.02063	5.8
337.07776	100.0
338.08087	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	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61724	0.7
57.03453	1.8
59.01369	0.8
60.99306	1.9
67.01883	2.9
69.03448	0.9
70.12688	2.9
71.01373	1.8
85.02951	13.1
87.00887	7.2
93.03468	22.6
109.02962	1.2
109.77631	0.8
111.00916	0.9
111.04536	3.6
119.05032	16.9
123.20853	0.8
127.04015	1.2
129.01949	3.2
145.02950	2.2
155.61897	0.8
163.04033	19.7
164.04378	1.0
173.04607	7.3
191.01984	3.1
191.05623	100.0
192.05984	5.4
251.04141	1.0
316.64877	0.9
337.09393	1.9
346.07053	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	337.0934
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03435	1.5
59.01365	1.8
67.01892	1.0
69.03457	0.4
69.21059	2.2
71.01377	1.3
83.05031	0.4
84.02164	0.4
85.02953	14.6
87.00890	2.0
89.02445	0.5
93.03463	7.2
94.03848	0.4
96.95995	0.6
99.00867	0.5
107.13506	0.4
109.02945	0.8
111.04526	1.4
117.03485	0.7
119.05041	6.9
123.45232	0.4
125.02437	1.2
127.04016	2.4
129.01974	3.9
130.40160	0.4
135.03574	0.4
135.04597	0.5
145.02948	4.7
147.02998	0.5
161.04503	0.5
163.04028	6.4
169.01472	0.6
173.00926	0.5
173.04601	2.2
175.03998	0.5
191.02136	2.4
191.05624	100.0
192.05963	3.0
231.06644	1.5
290.69437	0.4
337.09180	1.5
337.15097	0.8
338.09164	0.5
349.07114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03458	2.2
57.40227	0.6
58.00580	1.1
59.01089	0.9
59.01381	12.1
59.63247	0.6
68.99830	1.2
71.01389	13.8
72.99311	4.8
73.02937	2.1
75.00877	13.4
76.09274	0.7
80.05270	0.6
83.01390	0.9
85.02956	23.1
85.03484	1.3
87.00877	5.3
87.04519	100.0
88.04863	2.6
89.02451	2.9
95.01407	3.9
98.22533	1.5
99.00890	7.7
101.02477	1.4
103.00357	1.2
111.00887	1.2
113.02460	16.9
114.02734	1.0
115.00381	1.5
117.01945	2.4
119.05010	1.0
121.02990	1.5
125.02491	1.6
129.01942	1.4
133.02934	0.8
143.99857	0.7
145.02988	1.9
147.03038	3.1
149.02487	3.9
151.03992	1.2
159.04533	1.1
161.06059	1.7
162.03259	1.2
163.04039	4.1
168.00627	0.7
169.01421	1.6
175.02592	2.6
176.03554	1.0
177.01984	1.6
183.45471	0.8
187.04076	1.3
189.02147	0.7
191.01979	1.6
191.03511	1.5
193.01451	3.4
203.03479	0.8
205.01407	4.3
205.05040	3.5
231.05055	1.3
233.00914	6.6
249.04004	1.9
249.06203	12.4
259.02527	2.2
269.01019	0.8
275.01944	0.8
285.00607	0.7
319.10339	1.9
337.02090	2.0
337.05255	2.4
337.11411	41.5
337.15070	3.4
338.11792	4.4
352.55780	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	337.1297
Annotation	Murragleinin
Peak:m/z	Relative Intensity
59.01378	1.0
61.88050	0.7
65.46494	0.8
68.99771	0.8
70.90926	1.5
79.69112	0.7
83.05013	1.5
85.02948	1.3
85.61222	0.7
107.08674	2.0
117.79391	0.8
123.04534	1.0
124.01667	1.0
125.02434	1.1
137.02403	1.3
144.05766	0.9
145.03015	1.0
149.02454	1.6
149.09760	1.0
150.03256	2.5
151.03993	3.8
159.08144	1.6
161.06073	1.2
161.09796	1.4
163.04004	1.2
165.01924	0.9
166.02724	7.7
172.05307	2.5
175.02713	0.7
175.03972	4.2
176.04811	1.1
177.05646	1.0
177.09239	2.6
179.07137	1.3
187.07652	6.3
189.05609	2.6
190.06366	10.1
193.01442	3.7
194.02196	3.0
201.05609	1.2
202.15965	0.8
205.05141	1.5
205.08711	35.4
206.09103	2.2
209.00943	10.5
217.08771	1.2
249.07617	5.4
293.14001	5.4
337.12967	100.0
338.13321	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	337.1297
Annotation	Murragleinin
Peak:m/z	Relative Intensity
61.98815	4.6
69.03483	1.7
71.26676	2.6
73.67091	1.7
83.01399	2.8
87.71960	1.8
95.01402	3.2
95.97702	1.8
96.96038	1.9
98.22031	3.2
107.01408	2.9
111.00898	9.1
123.00917	14.3
124.01711	3.9
125.02459	36.4
127.00374	2.5
130.08797	2.8
136.98859	5.2
139.00362	9.8
140.01212	11.2
150.35112	1.8
151.00391	15.5
161.76039	2.1
168.00696	9.8
169.01442	29.6
184.75601	1.7
185.11845	8.8
197.09605	1.8
238.20119	1.8
265.36447	2.1
293.13995	46.1
294.14383	2.9
319.11917	29.4
337.12982	100.0
337.23627	6.3
338.13220	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03434	1.7
58.00580	4.2
59.01384	100.0
60.01690	1.6
60.77038	1.3
71.01391	48.4
72.99305	3.9
73.02906	1.3
83.01389	2.8
85.02525	1.7
85.02959	14.0
87.00880	2.6
89.02454	53.0
90.02749	1.4
95.01435	2.9
101.02454	30.0
113.02464	18.3
119.03516	29.7
119.04996	5.0
125.02426	1.4
129.01962	2.2
131.03514	2.1
139.49260	1.2
143.03534	2.4
145.02971	4.3
157.08649	1.5
161.04567	2.0
163.04030	4.1
175.09731	1.9
179.05653	4.3
191.02058	2.4
231.06563	3.3
291.75082	1.2
337.15076	98.9
338.15317	7.3
354.62543	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	337.2024
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03453	9.3
59.01373	1.6
61.52819	0.8
61.98843	1.7
64.36400	0.9
69.03442	2.4
69.14774	6.7
71.01408	0.8
76.04910	0.8
83.05046	1.1
98.03764	1.8
98.21809	2.0
108.02217	1.2
135.97548	0.8
221.19112	3.0
223.20471	1.4
231.17673	1.3
237.22249	100.0
238.22574	10.0
249.22200	1.8
251.20233	1.9
259.15707	1.0
265.21744	22.2
266.22217	2.3
275.20245	2.1
278.18613	0.9
281.20972	1.1
293.21249	53.1
294.21536	5.7
337.20209	37.3
338.20618	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	337.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
60.60898	2.3
61.98832	5.5
70.71284	4.9
71.05022	20.2
77.15755	2.6
80.71293	2.4
83.05032	3.1
88.66323	2.7
95.04509	2.4
124.38783	2.5
200.64873	2.8
237.22264	100.0
238.22684	10.0
265.21692	7.7
281.21396	3.0
293.21277	50.6
306.15225	2.9
314.31998	2.6
337.20337	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	337.2387
Annotation	2alpha,3alpha-Dihydroxycativic acid
Peak:m/z	Relative Intensity
55.91055	1.3
59.23193	1.1
59.53395	1.1
67.56230	1.1
80.83118	1.3
163.11292	5.0
177.12839	2.8
217.16005	1.2
247.20699	59.7
248.21049	6.5
249.22308	4.3
259.20721	3.8
263.23935	2.7
273.22238	7.4
275.23746	3.8
277.21735	15.7
278.21835	1.6
291.23331	38.7
292.23648	4.2
293.24759	8.0
337.23877	100.0
338.24170	12.5
344.08356	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	337.239
Annotation	2alpha,3alpha-Dihydroxycativic acid
Peak:m/z	Relative Intensity
57.03444	1.9
59.38141	0.7
61.98838	2.1
63.17212	0.7
69.95548	2.9
71.05029	1.9
81.66719	0.8
155.51971	0.8
178.94344	1.3
179.14459	1.2
186.95679	0.9
247.20715	2.7
273.22266	100.0
274.22626	11.1
291.23285	13.4
293.24881	40.0
294.25256	3.6
337.23883	70.6
338.24210	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	338.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29365	0.2
52.20934	0.2
58.02972	2.3
66.86874	0.2
69.22024	1.4
73.53793	0.2
81.03442	0.2
82.06721	0.2
90.69117	0.2
97.06625	0.5
120.15861	0.2
128.10826	13.1
129.11165	0.5
130.08748	100.0
131.09108	3.4
135.08197	0.3
147.08170	0.4
158.36969	0.2
172.09811	4.0
297.45129	0.2
338.19751	39.6
339.20074	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	338.9889
Annotation	D-myo-Inositol 1,4-bisphosphate
Peak:m/z	Relative Intensity
51.65001	0.3
56.52946	0.3
59.01381	0.5
68.97602	4.3
68.97904	0.4
75.89365	0.4
78.95910	100.0
85.02945	0.7
96.96970	26.7
97.03003	0.4
98.22544	0.9
115.00402	0.5
125.02487	0.5
138.98062	0.9
147.04576	0.4
158.92548	13.8
174.01685	0.4
175.02480	0.8
176.93558	0.9
177.05536	0.6
198.08119	0.3
202.40294	0.4
219.02972	0.4
221.04591	2.5
223.00113	5.1
241.01201	35.2
242.01529	1.6
259.02271	4.2
320.97833	6.7
321.98294	0.4
338.98883	28.2
339.99170	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	339.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51727	31.5
56.77562	29.5
70.34420	100.0
75.60593	34.9
78.95904	77.9
82.57832	31.1
105.30092	30.9
142.17984	30.1
148.43825	28.8
169.01445	54.9
191.45251	33.7
205.01329	37.9
241.01208	65.4
338.99030	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08039	0.8
55.71971	0.7
59.01378	1.2
66.81657	0.6
70.61000	1.0
70.61347	1.2
85.02968	1.6
119.05013	0.9
135.04503	1.3
145.02956	1.1
147.04536	1.0
173.02460	0.7
175.04008	1.3
177.01935	4.3
190.02730	2.6
190.74355	0.8
191.03510	100.0
192.03874	5.2
199.25819	0.6
219.02998	75.8
220.03314	5.1
235.02448	4.0
249.03987	0.7
263.02014	5.2
272.91037	0.7
295.04703	5.1
321.02460	1.4
339.03363	1.1
362.33075	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	339.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
74.02452	0.3
81.03451	0.5
82.47975	0.3
83.74442	0.3
85.02949	0.8
89.03972	1.9
93.03445	0.3
93.96888	0.3
95.07172	0.2
98.02482	0.4
104.02719	0.6
105.03464	3.3
109.02964	0.4
125.02487	0.4
133.02971	9.7
148.01698	0.4
149.02451	1.3
149.06116	0.3
150.05614	0.6
175.02640	0.3
176.01201	1.5
177.01949	100.0
178.02292	5.1
191.03526	0.3
207.05649	0.3
220.06194	0.3
268.62909	0.3
295.09097	0.4
299.98950	0.3
339.03278	0.4
339.07202	8.5
340.07413	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	339.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	3.3
85.53394	0.9
97.06602	3.9
122.44530	0.9
125.06103	41.5
126.06360	0.9
143.07153	58.7
144.07487	1.9
181.12390	1.6
183.13918	16.6
184.14360	1.3
195.13916	11.4
213.14980	100.0
214.15297	5.7
339.21863	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
70.89220	0.7
70.89546	1.0
79.02888	0.5
84.37992	0.7
107.48553	0.6
146.06480	0.7
156.50439	0.5
163.11311	100.0
164.11658	7.0
339.23306	53.9
340.23602	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	340.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	1.0
70.88476	0.6
70.88817	0.4
79.05507	0.3
86.54833	0.3
120.75417	0.3
125.02460	0.6
128.10825	3.7
130.08755	100.0
131.09105	3.2
135.04494	0.3
141.73866	0.3
147.11824	0.5
153.04822	0.3
165.12897	0.9
167.06151	0.7
169.01369	0.9
173.41368	0.3
179.07095	0.3
191.03462	0.4
193.45323	0.3
209.07129	0.6
248.20215	0.4
260.20111	0.5
278.09598	0.5
340.21320	57.4
341.09698	0.4
341.21683	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	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.07855	0.7
64.91100	0.7
71.01379	1.0
71.41428	0.6
75.03149	0.8
87.00907	0.7
98.21732	1.6
107.05058	1.4
117.01991	0.8
121.60691	0.6
123.00959	0.8
125.02425	1.3
133.02971	0.9
134.03757	3.8
135.04541	98.7
136.04861	3.7
137.02461	2.0
161.02406	0.8
179.03514	100.0
180.03879	5.1
187.90627	0.7
192.50246	0.7
211.02554	0.9
218.61417	0.7
285.00635	1.0
312.99881	0.8
340.99435	1.4
341.03021	1.4
341.08759	10.4
342.09079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94016	0.4
59.01382	6.5
63.59137	0.4
69.40875	2.6
69.41277	0.6
71.01405	3.1
72.99316	0.5
85.02957	0.9
89.02451	2.2
101.02441	1.7
113.02450	1.2
117.03468	0.6
119.03515	0.7
125.02457	0.6
130.44540	0.4
132.02197	1.7
133.02968	26.6
134.03322	0.7
135.04541	8.6
136.04884	0.6
161.02458	100.0
162.02794	6.4
169.01418	1.3
177.01956	1.0
177.05565	0.9
178.02249	0.7
179.03539	15.4
180.03833	0.8
193.04980	0.5
203.03546	2.5
221.04596	1.5
238.51102	0.4
281.06699	2.0
331.06311	0.5
341.08704	7.3
342.09274	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	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
64.53257	0.5
78.30888	0.5
98.15007	0.6
107.05030	0.6
109.82347	0.6
133.02953	1.3
134.03760	2.1
135.04536	94.9
136.04866	4.7
161.02454	4.8
179.03517	100.0
180.03856	5.3
187.73517	0.6
238.73878	0.5
240.04095	0.5
265.31329	0.6
341.08871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91728	0.3
69.41938	2.2
83.17587	0.4
98.21794	0.4
107.05054	0.6
133.02968	0.6
134.03760	2.6
135.04539	97.0
136.04869	4.6
161.02464	1.6
179.03511	100.0
180.03848	5.8
212.32405	0.3
341.08820	10.1
342.09177	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	341.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49807	1.3
55.01874	1.7
57.03445	1.9
58.00581	3.2
59.01382	100.0
60.01707	1.6
70.97237	1.7
70.97568	1.6
71.01385	54.4
71.05016	2.5
72.99294	3.6
73.02942	3.6
77.92204	1.1
81.03470	1.2
83.01393	5.0
85.02960	13.2
87.00893	3.4
89.02448	49.6
95.01380	4.2
96.86703	1.2
101.02448	34.3
101.03107	2.2
109.67065	1.2
113.02444	19.9
118.97115	1.2
119.03503	24.5
120.03822	1.5
131.03482	1.7
133.02954	7.0
135.04541	3.1
143.03490	3.5
161.02461	29.4
161.04570	4.7
162.02763	1.7
179.03554	5.3
179.05643	1.4
341.09085	88.9
342.09375	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	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.03439	1.6
58.00575	3.0
59.01381	100.0
60.01696	1.5
69.21218	6.7
69.21570	1.2
71.01385	67.4
72.01723	0.8
72.99309	4.4
73.02934	2.4
75.00878	19.5
78.95881	0.8
81.03468	0.9
83.01380	2.5
85.02957	9.4
87.00871	5.7
89.02449	87.6
90.02791	1.8
90.23986	0.7
90.52083	0.9
95.01405	3.2
99.00871	1.9
99.04507	0.9
101.02452	30.0
113.02451	25.2
119.03507	32.3
120.03798	1.1
125.02444	1.6
129.01935	1.1
131.03523	3.9
143.03517	7.8
149.04536	3.2
157.23256	0.8
161.04558	9.9
168.12186	0.8
179.05614	33.8
189.80803	0.9
267.07114	1.9
341.10892	46.8
342.11136	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
58.00594	3.7
59.01384	100.0
66.62341	1.0
69.69100	1.4
69.69426	5.5
70.79689	1.2
71.01389	61.7
72.01730	1.3
72.99304	2.9
73.02943	1.6
79.70206	1.0
83.01389	2.3
85.02958	10.2
87.00898	4.2
89.02454	81.9
95.01408	3.7
98.21878	1.1
101.02454	29.7
113.01656	1.1
113.02455	25.7
119.03507	27.4
119.04360	1.8
131.03525	4.5
132.06523	1.0
139.96307	1.0
143.03491	8.0
149.04582	2.4
161.04564	8.9
179.05630	29.5
199.41585	1.0
266.97513	1.0
341.10931	28.6
342.11243	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	341.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
58.00583	3.2
59.01385	100.0
66.07172	1.5
69.01022	2.8
69.01420	9.5
71.01392	69.9
72.99310	3.6
73.02947	1.9
74.05736	1.0
83.01366	2.6
85.02960	10.0
87.00881	5.5
89.02457	82.2
95.01379	4.3
101.02454	29.9
113.02467	25.2
115.83832	1.3
119.03511	26.4
131.03528	5.8
131.62189	1.1
135.16240	1.1
137.57904	1.1
143.03539	7.2
149.04564	3.5
161.04623	9.4
179.04105	2.2
179.05634	31.4
179.07207	2.0
180.06039	1.2
252.87041	1.1
272.35144	1.5
294.80203	1.2
341.10941	28.8
342.11441	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	341.1394
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
59.01381	0.7
71.01406	0.5
71.26870	0.6
76.83894	0.3
89.02493	0.3
90.93656	0.3
91.05527	0.9
109.02967	0.4
121.03019	0.4
137.02481	0.4
145.02962	3.3
146.03790	0.5
159.04529	0.4
169.01344	0.4
179.05695	0.4
180.05730	0.5
181.08801	0.4
189.01959	0.9
194.07379	0.9
196.05330	0.9
207.08072	0.5
208.05182	0.5
209.06212	0.5
210.06850	1.0
211.07680	1.0
221.05989	0.5
222.06841	1.2
223.07581	0.8
224.04779	6.1
224.08380	0.8
225.05261	0.9
225.09206	1.5
226.09784	0.4
227.10754	1.6
235.07738	0.7
236.08429	0.6
237.05600	1.4
237.09102	0.5
238.06364	8.1
238.10001	0.4
239.07010	1.8
239.10786	2.6
241.08723	3.5
242.09036	0.5
250.06299	0.7
251.07213	1.7
252.04337	1.4
252.07846	0.9
253.08702	1.2
254.09488	2.7
255.10310	9.4
256.10657	0.8
263.06891	0.4
264.07922	0.4
265.05002	0.7
265.08716	1.2
266.05887	5.0
266.08975	0.4
267.06671	2.2
267.10294	2.1
269.11884	3.8
270.05371	2.3
270.12521	3.8
280.07367	0.9
281.08173	0.8
282.08969	2.9
283.09787	50.1
284.10153	3.8
294.05878	0.4
294.08978	2.0
295.09723	5.6
296.10489	3.9
297.11331	2.5
298.04800	0.7
298.12073	4.3
309.08032	0.6
309.11374	3.0
310.08487	1.5
310.12152	3.3
311.09286	100.0
312.09619	9.6
312.13293	0.6
325.10843	15.5
326.11612	68.1
327.08441	0.7
327.11981	6.6
330.11215	0.4
341.13959	72.9
342.10168	0.6
342.14279	8.9
342.18246	0.7
349.24292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
60.07894	0.6
69.76113	1.9
69.76550	0.8
70.03465	0.6
71.01405	0.8
89.02508	0.9
91.05577	1.3
106.41077	0.5
119.05033	0.9
127.91148	0.5
135.04597	1.2
145.02931	4.3
147.04561	0.8
151.00339	0.5
161.02414	0.5
180.05794	0.6
181.11655	0.5
196.05370	1.3
207.08208	0.8
209.06100	0.8
210.06862	0.7
211.07646	0.7
220.28282	0.5
222.06894	1.4
223.07686	1.2
224.04802	6.3
224.08377	0.7
225.09204	1.2
227.10835	2.1
235.07588	0.7
237.05670	0.7
237.09302	0.7
238.06361	9.2
239.06950	1.1
239.10812	2.4
241.08673	3.4
251.07144	1.6
252.04329	1.5
252.07863	2.0
253.08659	1.6
254.09448	3.0
255.10318	10.9
256.10703	1.2
265.05017	1.3
265.08771	1.2
266.05853	5.6
267.06485	0.9
267.10257	2.0
269.11905	4.2
270.05350	2.1
270.12628	3.0
273.11502	0.5
280.07635	0.7
281.08185	1.2
282.08994	2.2
283.09781	52.8
284.10168	4.1
293.08246	0.6
294.09039	2.1
295.09714	5.6
296.10492	4.2
297.11334	3.9
298.04758	1.1
298.12064	4.8
309.11423	1.4
310.08499	1.4
310.12146	3.0
311.09286	100.0
312.09592	9.0
325.10834	19.2
326.11603	75.3
327.11899	8.4
341.13956	72.5
342.14307	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45869	2.3
70.96420	2.3
98.22369	15.4
107.76305	2.5
111.08199	4.2
121.10262	3.6
124.88153	2.4
125.09708	7.3
161.86255	2.7
185.11855	10.3
197.11838	10.2
209.11829	39.4
210.12315	4.0
221.11978	2.6
222.78691	2.5
227.12975	5.7
228.83481	3.3
247.20618	3.1
291.19708	34.4
292.20044	4.8
309.20776	70.1
310.20996	7.2
341.23355	100.0
342.23660	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
69.03447	2.2
69.88735	0.7
70.61687	1.8
83.05029	2.1
84.02166	1.5
95.05005	1.2
97.06602	13.3
98.22462	0.8
99.04501	1.3
125.09735	2.0
137.09715	1.0
151.00369	0.8
151.07635	0.8
153.09146	1.1
165.12927	1.5
171.10291	11.3
175.11221	0.9
184.00995	0.8
185.11816	1.0
193.12343	19.7
194.12784	1.0
211.13380	3.6
221.11803	1.6
225.03723	0.7
225.14969	27.3
226.15262	1.4
243.16035	12.3
244.83838	0.8
253.14491	1.6
291.19623	0.9
323.18738	1.5
323.22247	1.4
341.23343	100.0
342.23688	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07642	3.8
59.01367	6.4
60.83698	3.3
61.39238	3.6
61.94951	3.5
67.61337	2.9
71.25775	5.0
84.02177	12.3
86.44043	3.2
95.87875	4.1
97.06589	9.8
99.04482	3.7
106.32477	3.7
152.98207	3.6
154.36131	3.6
171.10298	27.7
179.03528	4.3
193.12360	9.6
225.15086	17.7
243.16002	10.8
293.44949	3.6
323.22305	4.5
341.23318	100.0
342.23734	11.2
356.22580	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	342.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24163	0.7
73.31004	0.7
98.22550	1.7
123.04530	1.3
133.02953	1.7
134.03745	8.3
135.04536	27.8
136.04039	1.0
136.04909	1.1
147.04520	12.6
148.05316	68.9
149.06033	5.1
150.05629	0.8
151.06433	1.0
159.04477	0.9
160.04056	1.9
161.02443	1.9
162.05630	1.2
162.06848	5.4
175.02766	0.9
175.04227	0.8
176.03549	7.3
177.04294	4.8
178.05098	47.5
179.05431	3.0
189.04338	1.1
190.05110	18.9
191.05374	1.2
192.06654	3.3
202.05049	1.2
204.06706	1.7
211.20276	0.9
228.64615	0.9
269.98114	2.5
283.09818	1.9
285.00397	1.7
297.97552	6.0
312.99911	9.2
326.10324	2.1
327.11115	21.1
328.02295	7.9
328.11230	1.4
342.13470	100.0
343.04608	4.7
343.13782	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	342.135
Annotation	Unknow
Peak:m/z	Relative Intensity
105.03489	0.6
107.68023	0.5
109.02943	1.8
121.02952	1.0
122.03773	0.5
123.04545	1.2
124.01725	1.0
126.40513	0.5
133.02975	2.8
134.03757	10.4
135.04543	31.3
136.04059	1.4
136.04909	1.4
136.86720	0.5
137.02518	0.6
143.16817	0.7
147.03381	0.8
147.04546	13.9
148.05322	82.2
149.04750	0.7
149.05998	4.7
150.03200	1.0
150.05600	1.2
160.04063	1.4
161.02454	3.0
162.03206	0.6
162.05656	0.9
162.06871	4.2
163.04134	0.9
163.06389	1.5
175.02710	0.6
175.04085	1.1
176.03551	8.0
177.04344	6.3
178.05116	51.6
179.05495	1.9
189.04343	1.5
190.05130	25.9
191.05525	0.8
192.06700	4.2
204.06711	2.1
209.12979	0.5
267.06647	0.6
283.09790	1.5
326.10303	1.5
327.11145	23.2
328.11459	2.4
336.78012	0.5
342.13489	100.0
343.13837	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	343.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54216	0.2
59.01369	0.2
59.68046	0.2
69.21763	1.8
98.22487	0.5
115.05513	0.6
123.95235	0.2
143.05070	1.5
147.04558	0.6
155.05046	0.9
159.04518	0.4
161.06087	1.0
169.02995	0.4
170.03679	0.2
171.04555	3.0
172.04807	0.3
181.02919	0.5
183.04520	0.8
184.01643	0.7
185.02217	0.2
187.04021	1.3
189.05379	0.3
197.02415	0.6
198.03152	0.8
199.04027	5.0
200.01132	0.5
200.04340	0.3
210.03229	0.3
211.03792	0.2
212.01213	1.2
214.02690	0.4
215.03532	1.6
225.01991	1.6
226.02608	1.4
227.03528	6.3
228.00731	0.5
228.03909	0.7
242.02287	0.5
243.02982	3.2
253.01390	0.8
254.02083	0.4
255.02921	1.2
255.38280	0.2
256.00278	0.3
269.00793	0.4
270.01721	0.5
271.02420	0.8
281.00745	0.4
282.01663	1.4
283.99640	5.1
285.00195	0.5
285.03909	0.5
297.00458	0.7
298.01208	2.9
299.01981	100.0
300.02316	9.5
328.06052	0.4
343.00974	10.4
344.01324	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	343.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32248	0.8
78.37222	0.7
104.44791	0.7
108.02213	0.8
132.02199	2.9
148.01781	0.9
156.02190	1.6
160.01692	5.7
161.02034	0.9
172.01717	1.2
188.01199	5.3
200.01117	6.9
214.99899	1.8
216.00626	3.3
217.98616	0.9
228.00533	1.6
242.99422	1.6
244.00179	4.4
254.99437	2.8
270.98883	3.5
271.99557	2.0
297.97217	0.7
298.98483	5.9
299.01495	1.5
299.99060	13.1
300.99539	1.4
310.98428	1.1
311.50677	0.7
326.97980	5.0
327.98636	100.0
328.99042	10.2
343.00970	48.8
344.01300	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	343.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03452	9.5
59.01378	8.8
61.63341	0.9
67.01887	3.3
69.73781	2.5
69.74187	4.7
71.01385	5.0
73.02940	1.3
81.03455	1.4
83.01395	2.3
84.02179	1.8
85.02956	73.0
86.03281	1.5
87.00858	2.0
93.03451	10.1
93.03848	0.9
99.00874	1.7
101.02418	2.2
107.01398	8.1
109.02949	2.4
111.00882	1.6
111.04520	2.6
113.02431	1.2
118.28617	0.9
123.00908	3.2
125.02454	47.4
127.04018	1.3
129.01929	3.4
130.02234	1.3
137.02425	3.1
144.25281	1.0
147.02982	4.8
147.04047	1.2
155.03500	3.6
163.00301	1.0
163.02940	1.3
169.01440	100.0
170.01750	3.2
171.03113	1.4
173.00934	1.6
173.04567	20.8
174.04869	1.3
191.01994	63.0
191.05617	50.1
192.02338	1.9
192.05968	1.9
221.34456	1.2
299.01941	1.5
343.06729	17.6
343.10727	1.4
344.07062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30639	0.6
55.01857	1.7
55.34281	0.7
57.03436	1.4
59.01374	1.9
66.25151	0.6
67.01868	0.9
69.03455	1.7
69.38739	0.6
69.74521	3.4
71.01390	4.3
75.00828	0.8
83.01389	4.0
85.02956	1.4
87.00866	0.9
93.03442	1.4
95.01408	0.9
97.02954	1.7
97.75161	0.6
98.07861	0.6
99.00872	1.4
101.02448	1.7
103.00374	1.4
107.01401	6.3
107.79254	0.6
109.02926	1.0
111.00903	1.2
111.04510	0.7
118.98061	2.2
123.00921	1.6
125.02458	58.0
126.02817	1.7
129.01976	4.3
137.02435	1.3
147.03053	1.0
151.00354	0.9
154.99867	12.0
161.02480	1.3
165.01924	0.7
168.00645	1.3
169.01440	100.0
170.01756	4.3
173.04573	2.4
177.01930	1.3
181.01451	1.3
181.04976	0.8
191.05655	3.0
191.85426	0.9
193.01340	0.8
209.31458	0.8
226.02641	0.7
227.03526	1.6
255.03029	2.2
255.05382	0.7
299.01874	4.0
337.18576	0.8
343.00522	3.5
343.06696	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	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42579	1.0
59.01384	92.2
63.14367	0.9
70.34532	0.8
70.65733	2.5
103.01451	1.0
125.71902	0.9
130.72281	0.9
133.41850	0.9
143.50357	0.8
152.13348	1.0
157.03586	7.9
159.01527	2.4
201.02563	100.0
202.02754	10.1
214.89351	0.9
343.03677	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	343.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29665	0.5
60.05441	0.5
66.04180	0.5
69.00631	5.6
113.86044	0.6
130.00655	1.5
146.00175	1.1
185.99489	0.9
197.99597	1.8
198.75833	0.7
213.99127	0.9
241.98712	1.3
250.41106	0.7
251.36348	0.6
254.99535	1.3
257.01016	2.6
269.98071	40.0
270.98413	3.6
285.00464	17.9
285.03397	0.6
286.00848	1.1
290.40866	0.7
297.97571	66.0
298.97952	4.9
299.01541	1.3
312.99933	100.0
314.00247	8.2
327.01501	0.7
328.02264	97.3
329.02576	9.1
343.04617	54.1
343.20880	0.8
344.04974	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	343.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01094	0.6
59.01383	10.0
70.29678	0.9
70.30069	0.8
71.01382	4.4
72.99300	0.9
73.02918	0.5
75.00844	0.7
81.03463	0.8
83.01343	0.5
84.02155	0.8
85.02961	29.7
87.00881	3.3
88.04039	0.9
89.02459	2.4
92.05054	0.9
93.03465	3.5
95.01384	0.7
99.00887	1.2
99.04503	0.6
101.02441	3.3
107.01363	1.1
107.05083	0.5
108.04546	0.6
109.02962	1.8
111.04515	1.5
113.02467	1.3
119.03472	0.9
119.05039	2.1
120.04556	2.1
121.02950	1.2
121.43632	0.5
122.06123	0.6
123.00912	0.8
125.02473	4.5
127.04055	2.2
128.03566	0.4
129.01947	1.5
134.03761	1.8
135.04539	1.5
136.01668	8.1
137.02441	0.8
138.05618	2.8
139.04015	0.8
147.03044	1.5
149.00919	1.6
149.06110	0.7
151.04022	17.9
152.04395	0.6
163.00377	0.6
163.02573	0.5
164.03540	5.7
169.01460	6.5
173.00899	0.7
173.04553	1.9
191.02029	16.6
191.05634	100.0
192.02470	0.4
192.05952	3.3
206.99333	0.5
211.06152	16.0
212.06496	0.8
221.09808	0.5
237.04189	0.6
300.11035	1.4
343.03049	0.8
343.06818	3.6
343.12613	0.6
344.03412	0.5
344.09869	6.9
349.42651	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	343.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.2
58.62257	0.9
59.01381	20.3
69.35038	2.4
69.35461	4.2
71.01379	1.8
72.99309	1.8
76.48730	0.9
83.01379	2.7
84.02201	1.2
85.02959	35.9
87.00875	7.0
93.03474	2.3
101.02444	8.4
103.00371	1.1
107.01387	2.7
108.02212	0.8
108.64659	0.7
123.00886	2.1
125.02473	10.9
129.01988	1.3
134.03746	8.4
135.04544	9.3
136.01672	48.1
137.02017	1.3
138.03265	1.1
139.03957	0.9
145.01427	2.4
147.03004	2.9
149.00934	6.7
149.06096	2.3
151.04021	100.0
152.04379	4.4
156.06781	0.8
163.02501	2.9
169.00015	1.3
169.01430	20.5
169.60748	0.9
173.04515	4.4
176.53589	1.0
191.00244	1.3
191.01993	24.9
191.05617	4.6
192.02245	0.9
211.06128	92.3
212.06436	5.0
271.02509	1.3
343.06686	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	343.0672
Annotation	Theogallin
Peak:m/z	Relative Intensity
51.73258	0.8
59.01388	5.4
69.03461	3.1
69.05534	7.5
71.01389	1.7
83.01418	1.1
95.01408	2.3
97.02953	2.5
98.21800	1.5
107.01392	2.9
123.00908	13.5
124.01682	25.4
125.02463	61.9
126.02771	2.2
136.01697	4.4
137.02437	3.0
149.99599	36.2
151.00401	7.7
151.04034	3.9
161.02455	1.4
166.02736	0.9
168.00658	77.8
169.01445	18.4
170.01826	1.3
181.05074	1.2
193.01459	0.8
208.03633	1.1
221.96600	0.8
239.05600	1.7
273.91672	0.8
283.04691	2.1
286.33905	0.8
301.05591	1.2
325.05771	5.1
343.06720	100.0
344.07123	8.0
344.11053	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	343.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01376	1.2
67.01900	0.4
69.03448	0.3
70.05904	0.7
71.01383	0.8
72.90045	0.2
78.95905	0.8
81.03442	0.3
85.02956	11.5
86.03407	0.2
87.00877	1.6
93.03468	3.8
98.21783	0.3
107.01408	0.4
109.02959	11.4
111.04536	1.1
113.02390	0.2
115.00359	0.3
125.02460	3.7
127.04023	2.2
129.01866	0.2
133.01485	0.5
137.01454	0.4
137.02463	4.1
147.83612	0.2
149.32686	0.2
150.04301	0.3
151.04021	0.3
155.03416	0.4
168.00691	0.6
169.01434	6.7
169.02821	0.5
170.01718	0.4
171.03058	0.5
172.99451	0.8
173.04546	2.3
184.95688	0.2
191.02104	2.8
191.05620	100.0
192.05946	3.4
211.06107	0.3
227.03603	0.4
255.02931	0.3
271.08279	0.8
289.20929	0.2
299.01953	0.8
307.95242	0.3
320.64386	0.2
343.00772	0.2
343.02457	0.4
343.06671	5.3
344.03448	0.3
344.07257	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	343.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
60.99316	0.2
63.77446	0.2
67.01906	0.2
69.03452	0.3
69.36410	0.7
69.36841	0.7
71.01391	1.0
73.02956	0.2
81.03486	0.2
83.05045	0.3
85.02956	8.8
87.00892	1.7
93.03472	3.0
98.21843	0.3
99.00941	0.2
99.04529	0.4
107.01382	0.2
109.02967	1.6
111.04546	0.9
119.83968	0.2
125.02431	1.2
126.15733	0.2
127.04015	1.9
130.08755	0.4
136.08066	0.2
137.02429	0.4
163.00314	0.2
169.01434	3.1
171.02989	0.6
173.04509	1.2
183.42036	0.2
189.03987	0.2
191.05623	100.0
192.05960	3.6
220.85973	0.2
225.00375	0.2
229.11942	1.1
245.58891	0.2
246.99536	0.2
299.01819	0.2
343.06680	3.6
343.10754	0.2
343.17227	0.3
344.06958	0.3
344.79813	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	343.0828
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
51.79131	1.3
52.88655	1.2
53.58982	1.2
59.01367	1.9
61.98817	1.3
66.22490	1.2
69.63745	2.2
69.64155	6.0
86.78751	1.1
88.23145	1.1
97.02975	1.7
115.72725	1.6
124.89392	1.5
165.01944	4.9
198.03210	4.0
213.05586	1.5
214.02710	2.8
226.02728	7.5
241.01544	2.8
241.05009	1.9
242.02226	18.9
245.00902	3.8
254.02229	13.1
257.04486	8.6
257.95602	1.4
269.04630	9.4
270.01727	18.9
271.02023	2.1
285.04156	11.4
286.04486	1.9
298.01132	4.4
299.01718	1.5
313.03561	100.0
314.03946	11.5
328.05905	85.4
329.06213	8.1
343.08264	35.3
344.08597	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	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94033	1.0
54.49766	0.9
57.03453	1.4
58.00598	1.9
59.01384	33.1
60.01704	1.3
64.74207	1.0
69.17088	9.2
69.64169	1.0
71.01386	20.5
72.99302	2.9
78.67908	1.0
85.02966	8.5
87.00862	1.2
89.02448	19.7
95.01379	1.2
97.83982	1.1
98.22446	2.5
101.02453	10.8
109.02977	1.1
113.02483	6.1
119.03532	7.8
119.05038	84.2
120.05387	2.8
121.03024	1.2
123.00880	1.2
125.02436	3.7
127.19696	1.1
129.01936	2.0
135.04518	8.2
137.02461	2.3
145.01425	2.5
147.02974	1.9
149.00948	1.4
163.04024	100.0
164.04378	4.8
169.01437	3.4
179.05544	1.7
181.05156	1.3
224.55460	1.0
293.15439	1.2
343.06573	2.6
343.10364	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	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08699	1.3
53.60921	1.2
57.03438	2.9
69.03445	1.5
69.55205	2.4
69.55617	5.3
71.01351	1.5
81.03474	3.5
88.24097	1.2
91.91070	1.1
105.14791	1.3
105.81081	1.3
121.10227	8.8
122.56372	1.2
124.17990	1.4
125.02425	6.5
127.11316	1.6
128.79553	1.2
135.04547	3.3
136.87802	1.5
137.09726	2.3
139.11279	4.8
161.02472	3.1
171.10286	66.2
172.10597	3.7
196.62794	1.3
200.03954	1.3
299.02005	13.0
343.00919	3.0
343.24908	100.0
344.25229	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	343.2493
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.73647	5.9
62.00451	4.5
66.24636	4.3
70.77784	8.4
78.22240	5.5
95.26005	4.5
119.18380	5.7
121.10240	7.7
121.86753	6.1
171.10304	55.9
172.10594	6.4
172.90494	5.0
299.01868	6.5
312.77213	4.9
342.97336	9.2
343.20868	9.2
343.24890	100.0
344.25323	11.5
349.78598	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	343.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74243	6.2
54.12645	5.8
69.88172	18.4
71.43195	6.1
79.74657	6.9
99.08183	7.7
111.57833	6.2
171.10287	28.7
193.12329	11.4
225.14925	8.0
235.31071	7.0
327.98380	20.5
343.24994	100.0
344.25336	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	344.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20321	1.7
59.01381	9.4
69.39066	3.4
69.39474	12.6
71.01379	4.3
71.05025	8.0
72.80182	1.7
76.02271	1.8
83.01398	2.2
95.05038	2.4
97.02958	16.5
101.02455	3.0
109.02967	2.4
113.02431	2.1
116.26172	1.9
120.04565	2.5
123.00894	8.2
124.01685	4.5
125.02458	3.4
125.24241	1.9
129.45007	2.0
137.02530	3.1
138.03241	4.2
139.04030	100.0
151.03973	2.7
151.93089	2.2
163.04045	3.2
164.03578	2.8
166.99812	2.0
168.00613	11.4
169.01404	5.6
175.59297	1.8
181.05075	2.1
182.04591	3.1
183.02998	15.2
189.22841	2.1
201.02637	2.2
213.05286	2.2
241.03459	2.0
251.55653	1.9
290.97092	2.8
344.10544	2.1
345.08267	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	344.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72409	0.6
66.77085	0.6
69.12147	5.0
69.12465	1.0
69.30308	0.6
71.57406	0.6
71.59948	0.5
72.99299	0.6
98.47350	0.6
100.97977	0.6
108.02196	0.6
109.02971	2.1
121.02935	0.9
123.00871	0.7
123.04532	1.5
124.01672	1.6
125.02441	0.9
132.04565	1.2
133.02991	0.9
135.04543	1.1
136.04068	1.5
137.02484	3.0
139.00468	0.8
139.04021	0.9
148.01677	2.5
148.04022	1.1
149.02502	1.1
149.04828	1.2
154.02806	0.6
159.03294	6.6
160.04071	6.9
161.02448	1.3
162.01976	5.2
163.02762	4.6
164.03439	0.7
165.01863	0.7
168.54207	0.5
171.04359	0.8
172.05388	0.8
175.02765	1.3
176.03522	0.7
180.06676	0.7
181.05130	1.3
182.05440	1.7
185.06123	2.2
189.04295	1.0
190.05101	4.3
196.05273	0.6
197.06155	1.1
199.04007	0.7
199.28169	0.6
207.05420	9.4
208.06161	8.1
212.04750	0.9
213.05618	10.0
214.06174	1.6
220.06175	2.5
224.04865	1.4
225.05525	2.4
240.04343	2.3
241.05099	18.0
242.05862	31.0
243.06223	3.2
254.05739	0.8
255.06691	4.8
256.06934	1.0
257.08258	4.9
282.07730	0.9
283.04922	2.2
287.02188	0.8
297.06384	1.1
298.07318	3.8
300.08676	1.0
310.07315	2.0
311.07983	2.5
312.08881	1.3
326.10355	3.2
328.08298	16.9
329.09055	16.3
330.03659	0.8
330.09555	0.9
344.11432	100.0
345.11798	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	344.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	41.0
61.39248	5.6
61.60868	5.1
61.96521	5.3
65.12250	6.6
71.01382	25.9
72.00906	21.9
74.02458	5.7
85.02924	5.8
89.02463	38.9
101.02452	12.2
107.01382	11.6
113.02468	10.6
119.03496	8.0
122.02482	6.6
123.00874	14.2
124.01685	16.1
125.02431	10.9
139.03990	18.3
147.04558	32.8
164.07193	79.0
166.99815	6.6
168.00652	42.1
169.01453	15.5
179.18639	5.2
183.02991	100.0
192.05986	8.5
196.73645	6.8
204.49852	5.5
225.03996	10.0
228.17220	13.6
232.33475	6.0
307.96658	5.8
345.08240	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	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69773	30.0
70.58656	100.0
79.91832	28.3
161.35411	27.5
222.29308	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.8906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.3
60.52235	2.6
60.99310	11.8
71.05035	5.2
71.25098	4.5
78.95908	6.2
82.03559	2.6
85.02895	2.6
88.98817	100.0
89.02451	4.7
89.73244	2.2
95.05065	3.5
97.02995	14.5
100.38078	2.8
101.02505	4.1
115.00363	4.2
121.03057	3.0
122.97422	2.7
125.02448	3.4
126.94404	66.3
127.04036	4.8
139.04027	78.8
144.95457	3.6
165.01936	8.7
183.03027	11.9
188.94473	7.7
199.02565	4.5
216.93939	21.4
300.99695	3.2
345.08224	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.9632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33213	2.1
57.03450	3.9
59.01384	40.2
60.46016	2.0
66.64221	1.9
71.01386	26.7
71.26866	2.8
72.99314	57.4
74.99405	2.8
75.00872	5.3
77.46088	2.0
78.95911	40.3
84.02177	6.5
84.99245	2.2
85.02964	27.0
87.00882	9.3
88.98814	15.3
89.02486	10.4
97.22890	2.2
99.00873	4.8
103.00364	2.3
107.02061	2.1
115.00403	2.2
126.94392	3.6
128.96819	7.0
133.01457	10.9
136.94016	15.9
136.94986	8.9
156.99095	63.6
157.99399	2.6
166.97557	7.3
170.97054	16.0
191.01978	8.5
192.91684	24.4
208.91542	2.3
208.93297	10.0
209.03047	26.9
210.96527	7.8
212.33798	2.3
220.91080	6.7
228.97531	19.6
246.89090	26.4
246.98611	100.0
254.87158	7.3
267.21024	2.1
272.88168	8.4
288.41226	2.3
313.26138	2.3
326.85675	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	344.9889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.5
63.97309	1.0
70.98970	2.2
71.01386	1.3
76.59998	1.0
85.02969	1.6
86.51767	0.9
117.30447	0.9
118.98196	1.0
120.01276	1.1
125.02467	2.6
143.01434	2.1
145.02962	3.7
147.00938	2.2
157.02977	1.8
159.00920	1.0
161.02451	1.6
163.04037	1.6
169.01448	3.9
171.00891	9.2
173.02451	3.5
183.02979	4.3
185.02432	4.5
187.00392	3.8
189.01945	2.5
199.00388	6.6
200.01064	1.6
201.01927	5.5
214.99907	9.5
217.01402	1.5
226.99887	8.1
228.31796	1.0
229.01404	9.2
242.99374	17.3
245.00893	4.7
254.99390	5.3
257.00946	2.8
258.81741	1.1
270.98846	38.6
271.99359	2.3
282.98935	4.2
283.99643	5.8
298.98367	16.2
299.99030	7.7
300.99911	88.8
302.00162	5.7
312.84314	1.2
313.05530	1.9
313.75229	1.0
319.55371	1.0
326.97855	100.0
327.98233	7.9
344.98901	47.0
345.08194	1.2
345.99155	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	345.0257
Annotation	Chlorofucin
Peak:m/z	Relative Intensity
59.01363	1.1
93.53970	0.8
93.64282	0.7
94.10326	0.7
172.01688	0.7
187.00363	1.7
197.60895	0.8
214.99904	1.5
226.67877	0.7
228.00613	1.3
229.01007	1.1
230.99342	14.7
242.99417	1.5
256.00253	1.3
258.98868	4.6
286.98355	25.4
287.01547	1.6
287.98724	1.1
299.99051	2.5
300.99902	5.4
303.21878	1.2
311.99112	3.6
312.99762	0.8
314.97858	100.0
315.98212	9.4
328.99384	10.0
330.00189	61.4
330.05994	1.1
331.00525	4.2
345.02542	70.7
345.22766	1.5
346.02859	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	345.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84385	1.6
56.35723	1.5
56.48353	1.4
69.82568	1.6
71.26488	2.8
72.62490	1.6
77.41075	1.6
85.02951	12.0
86.47626	1.8
95.01397	9.6
106.64392	1.6
107.01399	4.5
109.05663	1.7
110.11980	1.5
121.90398	1.6
123.00883	17.3
124.01688	18.5
125.02440	3.1
129.34010	1.8
147.03020	4.3
149.99571	10.7
151.00377	33.3
165.01854	1.6
165.99101	25.0
166.99852	3.2
168.00639	19.5
169.01379	6.0
171.00906	3.9
173.02481	2.0
182.02165	16.3
182.99371	1.9
183.03000	55.2
185.02423	3.6
187.00340	2.3
191.16769	1.8
193.98563	72.5
194.98996	3.7
199.00356	2.7
201.01909	1.5
211.99557	14.1
214.99875	2.8
226.99940	3.2
229.01419	2.9
242.99341	6.4
245.01018	1.8
254.99051	2.2
270.98889	17.1
283.99567	2.8
298.98300	8.6
299.99231	2.3
300.99927	33.1
302.00375	2.5
326.97858	42.5
327.03619	60.1
327.98071	4.1
328.03983	5.9
344.99115	13.5
345.04651	100.0
345.08301	10.3
346.04980	6.5
368.88531	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	345.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13813	1.6
59.01363	2.3
60.37929	1.6
70.89618	3.2
70.89961	2.3
75.30262	1.9
76.14174	1.7
76.96051	1.7
85.53766	1.5
88.19144	1.6
97.44522	1.9
98.33991	1.6
116.38307	1.7
151.00386	6.0
159.04489	2.2
178.71526	2.1
187.04031	3.9
199.03993	3.3
201.02121	2.3
203.03517	12.6
214.99982	2.2
215.03592	8.1
217.01418	3.6
230.99350	4.7
231.02933	10.3
241.01215	2.3
243.03015	11.8
250.95567	1.7
259.02481	19.9
260.02896	2.6
271.02496	20.1
286.98422	13.5
287.02014	36.0
288.02545	3.0
311.99463	2.4
314.97852	43.7
315.01523	88.8
315.98322	3.8
316.01816	6.8
330.00134	30.7
330.03864	100.0
331.04285	10.9
345.02484	22.3
345.06235	65.8
345.09277	1.7
345.22958	6.5
346.02737	2.8
346.06351	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	345.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20786	0.5
65.00323	1.2
69.23383	1.6
69.23810	2.0
69.56517	0.5
80.47116	0.6
102.06814	0.5
106.26812	0.5
107.01395	2.5
124.01645	1.0
134.96376	0.5
137.45650	0.5
139.59021	0.6
143.05022	1.7
145.02907	0.9
146.75459	0.5
147.04523	0.7
149.02449	0.6
151.00385	7.2
155.04962	0.5
159.04488	2.2
163.00357	1.7
163.04041	0.9
164.01117	2.0
171.04553	2.8
173.02434	0.8
175.03981	1.6
187.04022	5.2
189.01982	1.1
199.03990	4.2
203.03506	4.7
213.01949	1.6
214.02792	1.2
215.03505	8.2
228.04178	0.6
230.02177	0.5
231.02994	7.4
241.01439	1.8
242.02194	0.9
243.02991	16.1
244.03368	0.8
256.03711	0.6
258.01727	5.9
258.99744	1.0
259.02487	19.5
260.02881	1.2
269.00955	1.1
270.01596	2.0
271.02417	0.7
273.04095	4.3
284.03369	1.1
285.04068	6.5
286.01300	0.7
287.01990	100.0
288.02341	10.4
301.03558	3.5
302.04300	5.8
303.04663	0.6
315.01627	3.4
327.10751	0.7
330.03839	77.0
331.04199	6.8
345.06174	59.4
346.06525	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0619
Annotation	Zanthoxyl flavone
Peak:m/z	Relative Intensity
59.86861	1.3
64.01919	1.4
70.78365	3.9
73.64907	1.4
94.16932	1.8
100.92470	1.3
120.02770	1.4
151.00375	2.3
163.00375	1.9
178.32735	1.3
194.90331	1.4
202.98734	2.0
203.03514	2.4
215.03526	3.2
231.02945	2.3
241.01460	2.2
243.03047	5.1
259.02542	8.4
270.01627	2.2
271.02505	2.0
284.03415	2.2
285.04102	3.9
287.01993	72.6
288.02386	6.7
300.58264	1.7
315.01489	92.6
316.01895	6.2
330.03842	100.0
331.04053	7.4
345.06207	59.7
345.22842	1.7
346.06506	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	345.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
63.39900	2.2
66.67886	2.5
69.46255	2.6
70.48793	4.9
70.49127	5.7
71.01380	2.6
74.99095	15.3
83.24339	2.4
103.62376	2.7
118.98100	100.0
121.02905	2.6
139.04007	4.0
144.04596	3.9
147.40948	2.4
168.43407	2.4
169.01476	3.7
183.01297	3.2
183.10374	2.9
269.75592	2.3
270.98782	2.8
300.99921	5.9
326.97684	2.9
344.98965	3.2
345.15677	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	345.0827
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.88308	0.6
59.01378	1.8
71.01379	2.6
71.26269	1.2
85.02956	1.3
95.01401	6.8
97.02988	0.7
107.01424	0.9
111.00880	1.8
113.02477	1.0
118.98063	0.8
121.02962	1.1
123.00892	16.1
124.01674	31.5
125.02491	9.6
135.04533	1.9
137.02441	2.4
139.00409	5.1
139.04015	13.6
140.01176	1.0
151.00313	0.9
158.74266	0.7
165.01950	0.8
165.05612	1.5
166.99815	5.9
168.00650	92.9
169.01414	14.7
181.01421	1.4
182.85611	0.7
183.02991	100.0
184.03311	4.3
217.54341	0.7
225.04047	1.7
241.03621	0.9
313.05716	2.2
327.03503	0.9
330.06149	3.6
345.04568	1.2
345.08301	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	345.0829
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00580	0.7
59.01090	1.2
59.01383	21.1
71.01389	8.9
72.84666	0.6
73.02968	0.9
79.21159	0.7
83.01367	0.7
85.02950	1.7
89.02458	6.2
95.01373	0.8
98.21786	1.3
101.02478	3.5
107.01402	12.7
111.00893	1.2
113.02464	2.3
119.03506	1.8
121.06644	1.3
123.00908	2.7
124.01672	20.4
125.02473	0.9
127.00392	0.9
137.02472	2.2
139.00407	2.5
139.04024	19.5
162.13141	0.6
165.01950	1.2
166.99866	2.5
168.00658	33.1
169.01254	1.1
182.02196	2.6
183.03000	100.0
184.03329	4.3
188.12856	0.6
195.02893	0.7
197.04459	0.8
210.01683	2.0
223.04572	0.6
224.98883	0.6
225.04063	14.3
285.06198	5.1
286.06265	1.1
316.20029	0.6
345.08286	28.8
346.08582	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	345.0829
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.66401	0.3
54.03561	0.3
62.06980	0.3
65.00356	0.4
66.92845	0.3
68.99807	0.3
71.01391	0.5
72.99335	0.4
83.01375	0.5
83.92484	0.3
85.02972	0.8
90.16754	0.3
95.01402	1.0
98.22601	0.7
110.00134	0.4
111.00877	2.0
123.00906	3.9
124.01657	2.6
125.02460	0.6
127.00410	0.4
133.78767	0.3
136.98816	1.3
139.00397	2.7
140.01187	3.0
141.01979	0.4
147.02934	0.5
151.00359	1.4
154.99777	0.5
165.99097	0.6
166.99829	3.6
168.00665	7.2
169.01355	0.9
181.01469	0.4
182.02226	9.7
183.03001	100.0
184.03345	4.7
193.98564	2.3
195.03168	0.3
197.09128	0.3
206.05025	0.3
211.99702	0.4
250.32018	0.3
270.98615	0.3
300.99771	1.1
326.97836	1.2
327.03680	2.3
345.04617	3.3
345.08295	31.3
346.08658	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	345.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78514	0.4
55.01881	1.2
56.78923	0.4
59.01368	0.6
70.55660	0.8
70.56055	0.8
71.01392	1.0
71.05030	8.0
72.05378	0.4
76.96101	0.4
78.95900	0.4
83.01399	0.7
85.02958	0.6
95.05040	5.1
97.02962	21.9
98.03303	0.4
101.02496	0.7
114.08157	0.4
120.01268	0.5
121.02999	0.5
137.02431	1.7
139.04028	100.0
140.04362	3.5
153.05612	0.6
163.04045	1.9
165.01958	12.6
166.02344	0.6
181.05104	0.6
183.03000	5.5
187.87462	0.4
345.08292	24.3
346.08572	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87708	2.3
59.01386	65.2
65.03956	5.4
71.01389	39.6
72.99326	3.4
73.02988	3.8
80.02680	14.8
80.91271	2.4
83.01382	4.8
84.88369	2.3
84.90498	2.9
85.02950	12.0
89.02448	34.8
91.05529	3.6
93.03462	6.1
93.07112	4.5
95.01373	4.4
98.22546	4.6
101.02450	24.5
103.05547	75.1
106.04263	36.6
106.10923	2.4
107.01428	2.8
108.02177	7.3
108.60786	2.3
109.06664	2.9
113.02464	14.7
115.53876	2.3
119.03497	11.2
119.05004	9.5
119.78986	2.2
121.06609	100.0
122.06880	2.9
124.01671	11.0
125.02436	6.9
131.03542	2.7
137.02432	8.9
139.00346	6.0
139.04034	4.5
151.97801	2.4
152.01158	7.2
153.01920	6.2
154.02721	3.0
159.70210	2.9
165.01927	3.7
165.05583	66.4
168.00674	21.9
169.01366	5.6
169.05119	6.0
183.03001	35.7
183.06595	3.3
211.02533	9.3
211.18152	3.4
255.05072	21.3
285.06116	8.0
290.97244	3.7
325.95389	2.5
345.08270	6.0
345.11948	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.03937	1.1
55.01864	3.7
57.03441	2.4
58.00591	3.5
59.01385	100.0
59.65476	1.0
62.00904	1.0
71.01387	71.1
71.27572	1.8
71.75438	1.0
72.99317	6.2
73.02959	6.1
73.91016	1.0
79.96496	1.1
83.01394	7.8
85.02957	17.5
87.00883	3.4
89.02454	72.3
90.02811	1.2
95.01384	5.1
97.88412	1.1
99.00889	2.1
101.02451	55.8
102.02751	1.4
111.00818	1.2
113.02460	29.1
119.03510	34.2
121.10207	1.4
131.03503	2.2
134.16682	1.0
143.03525	2.9
149.04524	2.6
159.03004	1.2
161.04597	2.7
165.09262	2.6
171.10295	1.7
179.05647	3.3
183.10274	1.3
211.13402	1.8
217.01958	1.2
229.14502	2.6
301.02542	5.1
301.16754	1.2
345.15576	49.5
345.22440	12.6
346.15952	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	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18137	2.0
55.01888	3.2
55.38019	1.7
58.00601	5.8
59.01383	100.0
60.01696	1.7
71.01389	67.1
72.99310	5.3
73.02954	5.9
76.28432	1.4
80.85134	1.5
83.01414	5.9
83.91889	1.4
85.02945	17.8
87.00903	2.4
89.02452	62.9
95.01408	4.0
96.96017	3.0
101.02448	36.1
113.02454	23.3
114.69804	2.1
119.03515	29.5
121.10241	18.8
125.02466	1.8
131.03555	1.8
139.00568	2.4
143.03497	2.6
149.04585	2.8
161.04587	2.8
183.10208	3.1
183.78299	1.6
225.11418	2.1
243.12343	5.1
285.13699	2.7
301.07266	2.0
326.98016	2.1
345.15591	47.4
346.16055	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	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29620	1.0
55.01871	3.0
57.03463	4.7
58.00605	5.1
59.01384	100.0
60.01703	1.2
69.03442	1.4
71.01388	91.0
71.27267	1.7
71.27654	1.3
72.99302	6.5
73.02949	13.1
79.05466	0.9
83.01396	6.8
84.02200	1.1
85.02953	29.3
87.00876	3.2
89.02451	60.4
95.01395	8.0
97.02966	1.1
99.00892	6.8
101.02449	52.0
102.02776	1.1
113.02461	36.3
117.74124	1.0
119.03508	26.5
121.10250	15.4
123.00851	1.1
124.01666	1.4
125.02436	3.1
128.58350	0.9
129.01923	1.1
131.03497	1.6
139.07639	1.8
143.03493	2.7
149.04578	1.6
159.02986	3.2
161.04585	14.5
165.09210	16.5
167.10760	1.8
168.00578	0.9
169.01396	3.2
179.05588	1.5
183.03043	8.3
183.10211	1.3
300.99765	1.4
301.16583	1.5
326.97931	2.1
344.17682	1.4
345.15540	51.0
346.15982	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	345.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.9
55.93797	2.2
57.03448	5.1
59.01385	100.0
59.10197	2.3
69.40928	15.3
71.01392	93.9
72.99297	4.5
73.02947	19.8
83.01384	8.3
85.02960	33.0
87.00849	3.2
89.02456	53.9
89.23154	2.3
92.18063	2.7
93.75198	2.2
95.01387	6.1
99.00891	9.2
101.02451	65.5
109.02952	5.0
113.02474	34.9
114.13474	2.5
118.76929	2.4
119.03529	25.8
121.10252	20.7
125.02410	2.3
135.94714	2.7
136.01668	7.0
145.02943	4.1
151.04077	5.8
159.02997	4.3
159.04382	2.6
161.04559	21.9
165.09245	7.9
169.01454	2.5
183.10323	7.6
229.01405	2.9
247.02567	3.0
267.04153	2.4
267.06631	13.3
270.98624	3.8
275.01608	2.9
282.08929	6.5
287.02029	2.6
297.11398	15.5
300.99963	4.6
315.12448	3.5
326.97836	2.7
345.06219	4.5
345.15601	57.4
346.15958	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	345.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.0
59.01384	47.8
62.96704	1.0
69.24423	5.1
69.24844	4.0
71.01389	28.7
72.99304	3.5
83.01392	1.3
85.02957	4.4
87.00883	1.6
89.02449	29.2
96.75903	1.2
96.96021	6.2
101.02457	2.1
113.02454	3.0
195.13916	24.9
196.14250	1.8
213.14925	5.5
215.70193	1.4
218.88118	1.2
345.19186	100.0
346.19583	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	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
57.03439	3.6
58.00579	3.3
59.01385	62.0
69.22669	5.6
69.23079	15.0
71.01389	100.0
72.72656	1.9
72.99297	4.8
73.02951	21.0
76.45511	2.1
83.01404	11.1
84.11001	2.1
85.02956	37.0
86.19191	2.4
87.00890	6.2
87.04507	2.8
89.02452	35.3
93.57316	2.2
95.01383	8.6
99.00883	6.8
101.02458	59.7
108.46551	2.6
113.02466	33.8
119.03527	14.1
143.03516	4.9
148.90938	2.2
159.03011	6.9
159.06653	5.4
161.04590	31.0
178.67387	2.4
185.11707	2.7
213.68231	2.0
230.47711	2.3
246.08763	2.4
278.13379	2.9
300.99915	2.3
326.97815	3.2
345.09998	3.1
345.19205	3.4
345.22934	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	345.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.9
57.03440	4.3
58.00594	3.2
58.28127	0.9
59.01385	62.0
60.72018	0.9
65.17486	0.9
68.99791	1.1
71.01387	100.0
71.28091	0.9
71.28524	1.1
72.01723	1.3
72.99315	3.3
73.02573	1.6
73.02950	22.9
77.94739	0.8
82.70008	0.8
83.01399	11.3
85.02956	34.4
86.00117	1.3
87.00870	4.4
87.04490	1.5
87.98755	0.8
89.02452	37.1
95.01408	7.1
97.02934	1.9
99.00889	7.9
101.02452	59.6
102.02768	1.7
104.05285	0.9
111.00902	1.5
111.73490	0.8
113.02460	34.5
114.02840	1.5
119.03524	14.5
125.02435	1.9
129.01962	1.4
131.03522	1.7
143.03458	3.3
149.04488	1.4
159.02982	5.3
159.06631	2.7
161.04567	23.7
179.05714	1.5
225.73383	1.0
283.27698	1.1
300.99707	1.4
301.03131	2.0
326.98166	1.5
345.14285	3.7
345.19141	5.7
345.22852	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	345.2287
Annotation	oscr#20
Peak:m/z	Relative Intensity
58.00600	0.6
59.01374	1.3
60.99316	0.4
69.07027	1.3
69.07447	2.3
71.01379	0.8
73.02950	0.9
75.59351	0.3
85.02963	0.6
97.06570	0.9
98.22483	0.6
101.02448	0.4
109.06617	0.5
111.08190	0.5
113.09760	2.0
123.08165	1.6
125.02428	0.4
125.09743	4.0
127.11356	0.5
137.09676	0.9
141.09178	0.7
143.10802	1.8
144.11197	0.5
153.09210	3.2
154.17870	0.4
170.38365	0.4
171.10289	10.7
173.11842	0.9
176.08459	0.4
201.11275	0.9
202.12114	1.5
263.13104	0.5
315.21902	0.5
321.74875	0.4
327.21930	1.8
343.21286	1.8
345.22827	100.0
346.19342	0.7
346.23187	9.8
367.43015	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.4
60.01719	2.0
61.01828	0.4
61.98836	100.0
62.98535	0.5
68.99223	0.3
69.55519	1.8
152.88141	0.3
154.41797	0.3
158.03854	0.4
159.01534	0.3
159.03348	0.8
160.01785	0.3
201.02538	2.9
202.02719	6.5
202.98843	0.3
203.02303	7.0
204.00015	40.0
204.02640	1.7
205.00121	3.1
346.00760	0.5
360.12216	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	347.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14460	8.9
57.03442	11.9
59.01394	15.2
64.86658	11.0
67.01895	9.1
71.01376	68.3
72.99304	11.4
73.02937	14.2
78.95921	62.4
83.01366	21.5
83.05013	10.8
85.02958	47.1
87.92510	18.8
89.78035	9.0
92.05254	9.8
93.03454	39.3
96.96977	29.3
98.21815	22.0
99.00906	30.7
111.00903	18.4
112.98802	59.7
115.00369	25.1
121.03152	8.2
129.01923	41.6
137.02505	9.2
142.99847	100.0
153.58928	9.4
155.03493	8.8
173.00909	42.1
173.04610	50.1
175.02470	25.7
209.02992	15.7
228.70068	10.0
304.26187	11.0
309.28241	10.0
324.29822	9.8
347.04001	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	347.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14936	0.2
59.01382	1.0
65.73965	0.2
69.16195	1.1
69.16624	0.5
79.95734	1.3
80.41328	0.2
96.15190	0.2
96.96021	100.0
97.96012	0.5
109.50335	0.2
185.33595	0.2
223.13409	0.3
230.10767	0.2
264.48996	0.2
316.59961	0.2
347.08093	6.5
348.08380	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	347.1502
Annotation	Scabrolide D
Peak:m/z	Relative Intensity
59.01375	0.6
60.52794	0.6
65.00315	1.1
67.01854	1.2
68.99821	0.8
69.03451	0.9
70.62185	1.1
70.62537	0.9
71.01391	1.0
72.99292	0.8
83.01386	1.6
87.00886	0.6
97.02966	1.0
107.01373	1.1
110.00085	0.8
111.00888	6.5
123.00886	2.1
124.01646	2.8
125.02457	23.7
126.02774	0.7
127.00381	2.6
136.98807	4.8
139.00372	6.8
140.01181	12.9
151.00417	1.3
151.04004	1.5
154.99918	0.8
164.19745	0.6
168.00668	13.8
169.01437	18.6
214.09735	0.6
281.02853	0.7
339.07120	0.5
347.14999	100.0
348.15323	11.5
348.19540	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	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.84446	0.7
54.88001	0.6
55.01876	1.2
55.69077	0.6
57.03459	1.5
58.00602	1.4
59.01092	1.6
59.01385	28.9
68.91380	0.6
69.03448	0.7
71.01392	21.7
72.99308	1.7
73.02962	4.0
75.00856	0.8
75.48795	0.6
83.01395	4.0
85.02958	8.0
86.00107	0.6
87.00883	1.6
89.02454	8.9
89.03953	0.6
91.05576	0.7
95.01402	3.8
96.96019	1.1
97.02970	0.9
98.22521	2.2
99.00888	1.2
101.02454	13.3
105.03471	0.8
107.05066	0.9
109.02946	1.0
111.00867	0.9
113.02460	7.8
117.03467	2.5
119.03513	3.0
119.05047	2.2
121.02969	1.3
123.00858	1.4
124.01710	1.0
125.02466	9.7
126.02816	3.8
132.02170	1.2
133.02956	2.5
135.04559	1.6
137.02460	0.8
137.06070	1.4
141.01938	0.6
145.02965	4.0
146.03624	0.7
147.04463	3.1
149.02454	1.8
150.03238	1.2
157.68396	0.6
160.01691	0.9
161.01509	0.6
161.02495	6.7
163.00362	0.8
163.04019	3.2
164.04764	0.8
165.01884	1.1
165.05594	7.1
166.99837	0.8
167.10785	8.0
168.00661	1.5
169.01573	1.0
169.03206	0.7
172.01662	0.8
173.02463	3.3
175.04037	3.0
176.01189	0.9
177.01955	1.6
177.05559	1.1
178.05890	1.6
179.03563	0.9
180.03003	0.9
185.11859	11.0
187.04070	1.0
188.01239	0.9
189.01944	5.9
190.02753	3.4
191.03525	14.3
193.01389	1.0
194.08156	1.0
195.08575	2.3
201.01955	2.0
203.03517	1.9
205.01540	1.3
207.02950	1.2
209.04561	6.1
216.00688	0.9
217.01418	3.0
219.03047	1.1
220.06210	2.3
221.06447	3.9
226.99670	0.8
229.01431	2.7
229.13211	0.7
231.03017	1.5
233.00842	0.9
234.01883	0.8
235.02460	5.1
242.99359	0.8
245.00926	2.1
247.02501	1.6
261.00552	1.1
270.98813	0.8
273.00385	1.4
275.01999	2.1
298.04050	1.8
300.99820	1.5
316.99445	0.9
320.03436	4.9
326.03641	0.9
329.16013	2.5
334.03366	2.9
345.74069	0.6
347.17123	100.0
348.03140	1.8
348.17426	9.3
354.78519	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	347.1717
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01889	1.3
57.03410	1.0
57.72623	0.8
58.00581	2.1
59.01384	49.6
71.01390	32.3
71.25389	1.8
72.99307	3.6
73.02951	6.6
83.01422	2.4
85.02972	10.4
87.00863	0.9
89.02451	23.6
95.01403	2.4
96.01738	0.9
96.96032	1.2
99.00887	1.8
101.02450	22.4
109.03035	1.2
113.02470	11.6
118.98090	1.3
119.03516	10.5
123.00916	1.7
125.02461	1.2
133.02914	1.5
135.04497	1.4
137.02472	1.2
145.02959	2.0
147.04553	1.3
161.02455	3.6
161.04655	1.2
163.03983	1.5
165.05557	3.2
167.10808	16.4
169.01427	1.2
169.12370	2.1
173.02397	1.3
175.04028	0.9
177.01941	1.1
179.03506	1.2
185.11908	6.0
189.01918	3.5
190.02705	1.2
191.03523	8.5
203.03427	1.6
209.04524	3.0
217.01500	2.2
229.01503	1.3
235.02457	2.7
247.02446	2.1
273.00525	1.2
275.01828	2.4
320.03510	3.0
334.03229	3.6
347.12247	3.8
347.17123	100.0
348.17520	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99607	0.6
55.01870	2.2
56.99218	0.6
57.03434	2.3
58.00590	1.3
59.01385	34.0
63.51245	0.7
67.76817	0.6
68.99780	0.7
69.24403	3.2
69.24818	1.8
70.60750	0.6
71.01388	26.2
72.99299	2.7
73.02955	6.1
83.01391	4.6
85.02959	8.7
87.00866	1.7
89.02450	13.6
91.05524	1.2
92.76227	0.7
95.01401	4.2
95.05058	0.8
96.96030	1.3
97.02966	1.2
99.00900	1.9
101.02453	18.1
105.03506	1.1
108.02191	1.3
109.02963	1.5
111.00847	0.9
113.02470	8.1
117.03473	2.8
119.03529	4.5
119.05013	2.7
121.02920	1.0
123.00900	1.6
125.02460	7.1
126.02760	3.1
133.02986	4.0
135.04524	2.3
137.02446	1.7
137.06075	2.3
141.09213	0.8
145.02966	5.6
147.04506	2.9
149.02455	2.6
150.03242	1.4
159.04527	1.2
161.02454	8.9
161.04584	1.2
162.03226	0.7
163.00349	0.8
163.04028	5.3
164.04813	0.8
165.05606	9.0
167.10800	11.1
168.11058	0.9
169.01425	1.3
169.12341	0.8
171.04565	0.7
173.02449	4.4
174.03313	1.1
175.04015	2.4
176.01129	1.2
177.01947	1.1
177.05716	0.8
179.03421	1.4
180.02959	1.1
181.03459	1.0
185.11853	10.3
187.03903	0.6
188.01169	0.7
189.01942	8.1
190.02728	2.8
190.99899	0.7
191.01747	1.0
191.03516	19.9
194.08168	0.9
195.08563	2.1
200.01056	0.9
201.01910	2.3
203.03526	2.7
203.37834	0.7
204.04298	0.8
205.01529	1.2
205.79834	0.8
207.03043	1.2
209.04581	8.6
216.00667	0.9
217.01361	3.6
219.02994	1.6
220.06110	2.4
221.06453	4.0
229.01442	2.6
230.99564	0.8
231.03084	0.9
233.00909	1.5
234.01804	1.7
235.02480	5.9
243.99963	0.8
245.00949	2.4
247.02504	4.0
257.00867	1.0
261.00253	1.2
270.98871	1.2
273.00388	1.4
275.02026	2.6
276.78494	0.8
298.04163	1.6
298.98380	0.8
301.00018	2.8
303.10727	1.0
306.03845	1.3
312.03836	1.6
315.98718	0.7
320.03598	6.2
329.16116	1.9
334.03424	4.9
347.17126	100.0
348.03079	1.8
348.17419	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	347.1717
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.04200	0.6
55.01878	1.6
57.03442	1.7
58.00598	5.6
59.01385	100.0
59.27607	0.6
60.01724	1.5
67.01920	0.7
71.01388	64.2
71.26293	0.6
72.01720	1.0
72.32612	0.6
72.99301	7.6
73.02987	1.8
83.01405	2.7
85.02961	13.7
87.00897	2.4
89.02454	65.3
90.46649	0.6
95.01392	7.8
96.96019	5.0
97.03050	0.7
99.00897	1.1
101.02455	46.3
102.02841	0.9
108.02191	6.9
109.02965	10.9
111.00927	0.7
113.02464	24.8
115.04057	0.7
119.03516	35.5
123.00900	3.3
125.02472	2.7
131.03540	2.6
133.02986	0.9
135.04584	0.8
139.00420	1.2
140.01213	1.0
143.03473	3.1
145.03009	2.0
147.04517	0.9
149.02449	0.6
149.04587	1.7
161.02475	2.0
161.04590	1.9
162.38820	0.7
163.00356	0.8
163.04077	1.9
167.10788	49.8
168.00624	0.6
168.11134	2.9
169.01456	1.6
173.02420	1.0
175.03961	0.8
177.01921	0.9
179.05656	4.6
185.11896	1.3
189.01987	1.4
190.02762	0.8
191.03519	3.5
197.35928	0.6
203.03445	0.9
209.04526	0.9
217.01439	2.3
219.02992	1.0
229.01520	1.4
235.02429	1.3
245.00986	1.7
247.02533	2.7
273.00415	2.9
279.03354	0.7
293.03027	6.2
320.03552	0.9
347.08017	1.5
347.17126	61.3
347.24274	1.7
348.04987	3.1
348.17432	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	347.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37546	38.8
56.71606	39.6
57.67841	39.8
69.16686	41.9
70.70625	46.2
70.70959	82.2
79.39705	42.6
101.42551	38.7
138.37534	53.4
153.03949	42.2
193.04204	43.9
289.54880	43.6
292.18433	37.8
301.18042	60.6
347.18777	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	347.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48969	1.5
57.88464	1.6
58.58115	1.6
59.01371	2.6
61.98823	1.5
69.75016	8.5
78.95940	2.2
88.98823	5.3
92.18857	1.6
131.08281	100.0
132.08633	2.1
132.18077	1.7
139.03999	4.2
141.04495	1.7
156.07761	3.2
157.07632	1.7
173.10451	75.3
173.95367	2.8
186.27725	2.0
304.41495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48969	1.5
57.88464	1.6
58.58115	1.6
59.01371	2.6
61.98823	1.5
69.75016	8.5
78.95940	2.2
88.98823	5.3
92.18857	1.6
131.08281	100.0
132.08633	2.1
132.18077	1.7
139.03999	4.2
141.04495	1.7
156.07761	3.2
157.07632	1.7
173.10451	75.3
173.95367	2.8
186.27725	2.0
304.41495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2232
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
50.60327	0.6
55.42738	0.6
63.76143	0.5
79.16129	0.6
79.94836	0.5
98.22606	1.2
99.13847	0.5
164.08453	0.9
178.02719	0.5
189.12830	0.6
191.07114	0.8
198.53133	0.6
201.09279	0.7
229.08821	0.6
243.10310	4.1
244.10960	3.7
257.11987	1.0
257.15488	0.7
272.14386	0.8
283.16864	0.6
292.69272	0.6
299.16455	0.9
300.17276	1.1
315.19669	100.0
316.19980	11.0
318.19852	0.5
345.17111	0.6
347.18860	1.0
347.22256	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	347.2443
Annotation	Dodecyl glucoside
Peak:m/z	Relative Intensity
57.03444	0.5
58.00580	0.9
59.01385	1.0
64.62919	0.4
69.57057	0.6
69.57470	1.5
77.09513	0.4
85.02968	0.4
87.04531	0.7
95.10257	0.4
96.96017	0.8
97.06585	0.6
99.08176	0.5
111.08147	0.7
123.08173	1.5
129.09244	0.8
139.07649	0.6
139.11296	1.2
151.07661	0.9
157.12395	2.0
160.97559	0.4
169.12340	1.4
185.11864	3.4
213.11194	0.5
215.12883	2.2
311.22342	1.4
327.21808	0.5
329.23340	5.1
330.23541	0.6
345.22830	5.1
347.24393	100.0
348.24759	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	348.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98836	100.0
62.12129	0.4
62.98553	0.5
63.99275	0.7
66.23711	0.3
71.24760	0.7
86.77587	0.5
93.03301	0.4
129.82907	0.4
146.95282	0.5
162.98547	1.5
164.96309	0.4
204.00014	1.1
205.00124	3.4
205.99757	4.4
206.97470	54.1
207.97549	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	349.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01170	0.3
50.64585	0.3
52.15480	0.3
59.01366	0.6
67.01899	1.2
68.88161	0.4
69.03474	1.6
71.26855	0.4
71.27219	0.8
72.99294	0.4
77.03974	2.2
79.01910	1.4
83.01385	1.7
89.02461	0.6
92.60890	0.3
93.03466	3.3
95.01381	1.8
97.02962	11.9
97.03587	0.6
101.02448	0.4
109.02940	2.1
110.83556	0.4
113.02419	0.3
121.02972	10.4
122.03248	0.4
123.00896	12.4
124.01213	0.4
125.02470	0.9
137.02461	40.7
138.02867	1.4
139.00391	3.0
139.03990	0.4
141.01923	1.8
151.00386	11.3
152.00642	0.3
158.93867	0.4
163.00409	1.0
164.00981	0.3
165.01945	100.0
166.02304	4.0
169.01376	0.4
173.02399	0.4
177.02046	0.4
189.74100	0.3
190.02815	0.4
190.99876	0.8
191.03499	0.8
193.01469	0.9
197.04565	47.4
198.04865	2.0
209.00952	1.1
217.01495	0.8
223.02524	0.7
229.01418	0.5
237.00400	0.8
247.02400	0.6
254.57262	0.4
279.01334	0.4
301.45721	0.4
302.29620	0.4
314.53174	0.3
317.03061	5.5
349.02109	0.5
349.05692	10.7
349.14774	0.4
350.05939	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	349.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40219	0.2
58.91426	0.2
59.01381	1.0
68.97451	2.1
79.95753	1.2
88.03893	0.2
90.34257	0.2
90.50655	0.2
96.11111	0.2
96.96021	100.0
97.95927	0.2
174.12535	0.2
245.75288	0.2
269.13959	1.2
313.81409	0.2
347.80881	0.2
349.09668	9.3
350.10065	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	349.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
66.22364	0.2
68.96257	2.7
68.99834	0.4
78.48544	0.2
79.67516	0.2
83.01394	0.5
91.01933	0.3
93.03468	8.8
94.03794	0.3
96.96024	5.4
98.22520	0.6
98.95623	1.4
100.08009	0.2
109.02953	0.2
117.03477	16.7
118.03709	0.4
119.05038	100.0
120.05365	4.8
121.02959	2.2
123.04543	0.6
133.02972	0.8
133.06578	0.5
134.03780	0.3
135.00896	0.9
135.04488	0.5
143.05040	12.4
144.05411	0.6
145.02968	43.8
145.06621	0.8
146.03271	2.2
156.05832	3.0
157.06612	5.2
158.06941	0.4
159.04504	0.6
159.08165	14.1
160.08473	0.7
161.02437	0.6
161.06108	2.5
169.06596	0.7
171.04492	0.5
184.05316	1.3
185.06090	22.1
186.06447	1.5
187.04028	4.1
187.07632	1.6
188.04381	0.4
199.07639	0.4
203.05363	0.4
203.07156	5.3
204.07512	0.4
211.07640	1.0
213.05579	0.4
221.86954	0.2
222.06915	0.9
223.07581	0.9
229.05090	4.9
235.07622	0.9
237.09236	18.0
238.09543	1.6
248.08405	0.4
255.06662	3.3
261.09213	1.0
262.09915	0.3
263.10770	3.4
264.11060	0.6
265.08768	0.7
287.10870	0.5
289.08710	0.8
305.11862	23.0
306.12158	2.5
307.09778	15.9
308.10178	1.5
308.13342	0.3
349.10806	8.9
350.11072	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	349.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87367	0.3
59.01374	0.6
65.97731	0.3
68.99791	0.4
69.11543	2.6
79.95740	0.9
92.32382	0.2
93.03466	9.9
94.03786	0.4
96.96021	53.1
98.51919	0.3
115.05505	0.6
117.03477	15.4
118.03730	0.4
119.05039	100.0
120.05370	4.2
121.02995	2.3
123.04554	0.5
133.03009	1.0
134.03763	0.5
135.00877	0.9
135.04559	0.3
143.05045	11.6
145.02968	41.9
145.06631	0.8
146.03300	1.8
156.05814	2.5
157.06604	5.2
159.04567	0.5
159.08159	14.0
160.08488	0.6
161.06110	2.6
169.06625	0.7
171.04585	0.4
184.05318	1.5
185.06091	21.5
186.06435	1.8
187.04021	4.1
187.07597	1.4
203.07147	4.7
204.07396	0.5
211.07674	1.0
213.05670	0.5
217.29105	0.3
222.06964	0.4
223.07661	0.8
225.09254	0.3
229.05066	4.7
230.05333	0.3
235.07681	0.6
237.09212	17.8
238.09598	1.7
248.08380	0.5
248.65807	0.3
255.06625	2.6
261.09222	0.6
263.10791	2.7
264.11209	0.3
265.08719	0.8
279.47073	0.3
287.10803	0.4
289.08719	0.8
305.11868	23.3
306.12143	2.3
307.09775	15.7
308.10086	1.6
328.62656	0.3
349.10632	10.8
350.10962	1.8
352.76447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98742	0.9
57.03448	2.0
58.00587	1.2
59.01382	19.7
68.99811	1.1
69.05717	5.0
69.06140	4.5
71.01385	17.8
72.99306	4.8
73.02951	2.3
75.00492	1.4
75.00880	17.8
85.02953	19.4
87.00877	7.5
89.02442	4.5
95.01393	6.0
99.00887	11.9
99.04527	100.0
100.04865	2.0
103.00353	1.5
112.41314	1.0
113.02460	28.5
115.00379	2.0
117.01922	3.2
129.01950	2.4
157.01398	1.5
159.94073	1.0
175.02492	3.2
231.05151	2.2
246.12212	1.0
249.06172	27.5
250.06505	1.4
251.80276	0.9
252.52081	1.1
267.07211	12.6
326.15567	1.1
331.10318	2.1
349.11414	55.6
349.14737	2.2
350.11783	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	349.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53711	1.6
60.54855	1.8
65.00347	2.1
65.23598	1.6
69.01054	9.2
69.01479	7.7
82.02994	8.1
86.67767	1.8
88.50457	1.8
92.05069	100.0
93.05418	3.7
98.02477	33.3
98.22498	4.8
103.29609	1.7
111.03257	5.0
112.07708	5.9
122.95973	1.7
125.02512	2.1
130.06651	35.3
130.08754	84.1
131.05025	3.1
136.04063	70.2
137.04410	2.8
140.07207	15.1
140.10875	3.8
146.06128	5.9
161.04802	1.7
168.10316	23.6
169.10738	2.2
174.05614	57.9
175.05968	5.2
212.09311	60.8
213.09673	2.3
218.04608	77.3
219.04916	5.1
246.04057	2.9
287.14096	3.5
321.55624	1.8
331.13068	4.2
349.14014	46.7
350.14392	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	349.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.8
65.36001	1.2
69.00854	2.0
69.01250	13.0
70.02980	1.3
74.05617	1.2
77.43844	1.4
82.02992	12.3
92.05067	100.0
93.05415	2.6
98.02486	24.5
106.60115	1.2
111.03272	18.8
112.07656	2.0
125.12517	1.3
130.06653	38.3
130.08745	85.7
131.05045	5.1
131.06952	2.8
131.09111	3.4
136.04060	62.6
137.04463	1.3
140.07202	11.6
140.10838	6.0
144.04622	2.4
145.02972	1.7
146.06122	5.2
146.07222	1.4
149.50746	1.3
150.09248	2.0
168.10316	29.0
168.52740	1.3
174.05612	67.7
175.05989	2.9
212.09277	34.7
213.09747	2.3
218.04591	80.9
219.04897	4.6
243.15042	2.0
282.00467	1.5
287.13989	2.4
331.12885	3.1
349.14050	47.8
350.14587	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	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.66076	1.3
55.01863	2.0
59.01389	20.9
62.89496	1.4
64.10229	1.5
71.01389	16.3
71.26353	2.8
72.99309	2.3
73.02964	1.6
82.59198	1.2
83.01384	3.1
85.02959	4.7
89.02450	9.8
93.03467	1.3
95.01387	3.7
96.96027	3.0
98.00081	1.4
99.00871	1.9
101.02445	11.7
113.02475	4.9
115.26508	1.2
117.03471	2.3
119.03501	4.5
123.00895	1.4
133.02922	3.0
134.03784	2.0
137.02463	1.6
145.02974	3.0
147.01012	2.1
147.04524	2.0
149.02423	1.4
149.06073	2.0
161.02538	2.2
163.04031	2.2
165.05576	4.1
169.01471	2.5
169.12393	5.2
173.02446	3.0
177.01830	1.5
187.13414	21.8
189.01932	3.1
190.02524	3.3
191.03474	5.6
192.04012	1.7
193.05064	1.4
203.03648	1.4
210.04944	2.3
217.01373	1.9
219.03047	1.7
232.63391	1.6
235.02484	2.1
235.34644	1.3
245.96846	1.4
247.02539	3.1
252.43170	1.6
273.00409	1.8
304.38010	1.8
320.53973	2.1
331.17807	2.3
336.32950	1.4
349.02731	2.1
349.18707	100.0
350.19043	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	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.26933	0.9
55.01886	2.1
57.03451	3.1
58.00600	4.5
59.01384	100.0
60.01714	1.4
69.57845	5.2
71.01389	73.6
71.05018	1.2
72.01708	1.6
72.63955	0.8
72.99303	4.3
73.02959	10.2
75.00870	2.0
83.01379	4.8
85.02956	22.3
87.00896	4.3
87.04507	1.7
89.02454	64.0
90.02752	1.2
95.01405	4.9
99.00883	4.7
99.04543	4.7
101.02454	44.4
113.02462	34.7
115.73222	0.8
119.03518	31.9
125.02460	1.4
131.03484	2.5
143.03542	6.6
149.04558	2.6
159.03000	3.0
161.04576	17.9
179.05609	8.8
183.76555	1.0
187.13420	7.9
191.03488	1.3
249.06148	2.5
267.07150	1.1
275.01871	1.2
301.00098	1.1
349.11502	3.7
349.18695	39.4
350.19043	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	349.1872
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01873	1.1
57.03437	1.0
58.00593	4.5
59.01386	100.0
60.01694	1.4
61.98827	3.1
66.50068	0.9
71.01390	56.5
72.99303	5.4
73.02950	1.9
83.01384	3.7
84.67575	1.1
85.02962	8.7
87.00875	2.1
88.59292	1.1
89.02456	61.0
90.02774	1.2
95.01405	4.0
99.00901	1.5
101.02455	38.9
102.17111	1.1
103.80176	0.8
104.51254	0.9
113.01743	1.5
113.02470	22.2
119.03522	29.2
125.02515	1.3
131.03496	2.1
141.12820	1.3
143.03517	3.1
149.04555	2.0
169.12299	4.7
179.05624	3.4
187.13388	3.7
228.75771	1.2
275.94775	1.0
301.80780	0.9
349.18698	53.6
350.18976	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	349.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03437	1.0
58.00593	4.5
59.01386	100.0
60.01694	1.4
61.98827	3.1
66.50068	0.9
71.01390	56.5
72.99303	5.4
73.02950	1.9
83.01384	3.7
84.67575	1.1
85.02962	8.7
87.00875	2.1
88.59292	1.1
89.02456	61.0
90.02774	1.2
95.01405	4.0
99.00901	1.5
101.02455	38.9
102.17111	1.1
103.80176	0.8
104.51254	0.9
113.01743	1.5
113.02470	22.2
119.03522	29.2
125.02515	1.3
131.03496	2.1
141.12820	1.3
143.03517	3.1
149.04555	2.0
169.12299	4.7
179.05624	3.4
187.13388	3.7
228.75771	1.2
275.94775	1.0
301.80780	0.9
349.18698	53.6
350.18976	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	349.1871
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01878	4.6
57.03441	3.2
58.00592	3.1
59.01382	69.3
62.20458	1.2
69.03458	1.3
71.01386	100.0
71.05016	1.5
71.26363	1.9
72.99302	2.6
73.02950	20.6
76.80840	1.4
83.01405	9.7
85.02962	32.3
87.00891	19.7
89.02454	37.4
95.01377	9.5
97.02940	2.1
99.00900	8.0
101.02458	59.8
104.99059	1.5
113.02465	35.0
119.03513	12.6
119.04969	1.7
125.02467	4.5
128.77795	1.6
129.01924	2.6
131.03508	2.5
135.04504	2.0
140.60944	1.3
141.09241	23.7
143.03506	3.9
143.10793	4.5
143.83992	1.6
145.02956	1.9
146.53416	1.5
148.05313	9.9
159.03020	6.5
161.02481	2.5
161.04568	33.3
169.01485	2.0
169.12334	1.8
177.02042	1.6
179.05661	2.2
187.13405	3.6
189.01886	1.8
190.05124	2.1
247.02492	2.3
259.15591	1.7
261.88132	1.6
289.52826	1.6
335.07709	8.6
349.18686	21.8
350.10233	9.1
350.19281	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	349.2023
Annotation	8-iso-15-keto-PGE2
Peak:m/z	Relative Intensity
52.17918	1.5
54.84119	1.5
69.03452	6.5
69.31388	3.9
69.31792	7.8
69.44371	1.8
71.05010	2.3
71.07381	1.4
83.99491	1.7
96.70791	1.5
98.21789	1.8
99.04502	2.5
106.81664	2.0
109.06607	2.0
137.09692	2.6
177.12810	2.3
211.39911	1.5
245.19072	4.0
249.41092	2.1
259.20731	2.1
261.22250	10.8
271.17078	4.3
287.20157	10.5
305.21115	11.6
331.15573	2.5
331.19199	29.7
332.19516	5.0
349.20215	100.0
350.20578	12.5
370.16736	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	349.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.40458	0.7
71.26785	1.1
72.99334	0.6
77.90763	0.6
79.45117	0.6
85.50724	0.7
88.04057	0.9
89.38242	0.7
92.05069	2.1
96.68190	0.6
98.02491	2.4
99.92599	23.7
100.92614	1.4
100.93375	2.5
115.92093	51.9
116.05070	2.3
116.92874	100.0
117.03513	0.7
117.92896	4.8
118.06651	4.0
119.05091	0.6
125.02406	0.8
125.92899	2.1
126.93687	0.7
132.02992	0.7
134.45648	0.6
136.04056	1.9
154.93117	1.0
157.95287	0.6
162.03775	0.7
162.05818	0.5
172.70340	0.6
220.00728	0.7
245.98679	0.7
246.97096	1.8
259.99835	1.0
286.76245	0.7
287.99658	5.2
306.00793	2.9
333.07602	0.8
349.99716	2.9
353.50259	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	350.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27560	49.6
90.70944	30.1
96.96009	100.0
138.87373	33.3
194.36491	37.6
330.69577	35.0
351.14685	79.6
351.21768	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66755	0.7
60.08979	0.7
71.01379	0.9
72.99303	1.6
73.57804	0.7
81.03468	0.8
93.03485	1.2
96.96025	2.9
99.00869	0.9
107.01428	1.0
109.02991	0.8
119.05025	3.0
121.62385	0.9
125.02458	4.3
131.05058	0.8
133.02982	0.9
141.07147	1.8
143.05048	12.1
145.02950	1.7
147.00749	0.8
157.06593	2.4
159.08179	3.6
163.04031	2.3
169.01418	1.6
175.04086	1.9
177.01909	1.5
181.06673	1.6
182.07355	1.7
183.04570	1.9
183.08191	3.8
184.05321	0.7
185.06090	19.2
186.06424	1.1
187.02477	0.9
187.04002	1.3
197.06215	1.3
203.03546	5.4
205.03563	5.0
209.06102	4.2
211.04012	1.7
212.04887	2.3
225.05554	5.0
227.07159	57.0
228.07516	5.5
231.03040	6.4
245.45511	0.9
251.02040	2.9
253.05086	39.1
254.05461	3.2
261.00378	2.5
271.06134	100.0
272.06488	8.1
351.03336	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	351.0182
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
51.51157	0.5
62.62774	0.5
96.96014	3.4
98.67657	0.6
117.03452	0.6
130.22221	0.6
130.59933	0.6
131.62729	0.6
141.07135	1.6
143.05049	12.5
144.05399	1.2
145.02928	0.9
157.06660	1.9
159.08199	3.7
181.06630	1.9
182.07332	1.9
183.08191	4.8
185.06090	21.5
186.06458	2.2
213.98180	0.6
227.07158	82.3
228.07494	7.0
228.69083	0.7
253.05067	5.2
261.00244	0.8
271.06140	100.0
272.06470	10.5
309.81195	0.8
351.01456	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	351.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36116	1.5
65.00328	2.4
68.79862	1.1
71.01386	3.1
71.25275	2.2
73.58645	1.5
79.30201	1.3
83.01365	2.3
92.02282	1.2
93.97661	1.5
97.02981	2.7
97.86623	1.2
99.00880	10.3
100.26694	1.5
105.03497	2.7
109.02969	4.5
111.00959	1.7
115.05592	2.5
117.03452	2.4
119.01398	3.6
119.05090	2.9
121.02942	4.3
123.00907	1.6
125.02430	3.2
125.15383	1.5
131.01428	1.4
131.05063	3.9
133.02960	5.1
134.03664	1.6
135.00916	1.6
135.04559	7.7
136.01642	1.5
137.02477	2.0
145.02957	3.7
145.05353	4.1
147.00887	9.2
147.04544	14.8
148.01703	3.5
149.02414	4.4
151.03981	1.6
158.06125	1.7
159.04535	13.3
160.01599	2.5
160.04895	1.6
161.02432	8.3
162.18927	1.4
163.00392	3.4
163.04024	13.4
164.01091	1.3
169.01463	7.3
169.02754	1.4
173.02370	2.3
174.03244	2.1
175.00372	4.4
175.04007	24.5
176.04552	1.4
177.01945	15.5
177.05577	2.7
179.03522	8.0
185.02480	3.2
187.04033	12.5
189.01993	7.6
190.99870	2.9
191.03622	3.0
192.00580	7.3
193.01347	1.9
202.02721	1.6
203.03519	73.8
204.04030	4.5
207.02988	15.9
209.00607	1.2
213.01994	4.1
218.99368	5.9
219.02937	1.6
231.02992	100.0
232.03387	8.1
233.01006	1.8
235.06160	4.8
245.01057	1.4
247.02391	2.6
251.01988	48.0
252.02251	3.0
261.00449	9.4
263.05579	6.0
275.02002	5.8
307.04617	10.9
308.05026	1.6
351.03595	55.0
351.07864	2.7
352.03857	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	351.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.14091	1.2
59.01376	3.5
63.02385	1.6
65.00329	3.3
69.03403	1.3
69.26157	9.1
71.01388	28.9
81.03461	3.5
83.01376	6.4
88.01167	1.0
91.03968	1.1
91.51241	1.2
93.03458	3.5
95.01408	3.5
97.02959	4.3
106.39896	1.2
107.01389	6.1
107.04991	1.3
109.02941	5.2
121.02942	2.9
123.00904	2.7
124.01659	1.7
125.02444	11.4
125.06092	1.6
127.07674	2.0
131.05055	1.9
135.04504	8.4
137.02440	7.4
139.04048	1.9
143.03479	1.8
145.06587	1.6
147.04494	2.2
148.01711	1.3
149.06050	2.4
151.00369	21.7
151.04022	3.9
152.01173	11.1
153.01961	18.2
154.01402	1.7
159.04529	1.8
161.02464	3.9
163.00392	8.8
163.03983	1.6
164.01196	6.7
165.01938	26.2
165.05583	3.0
167.03467	1.8
169.01456	5.7
173.06038	2.6
175.03967	2.1
177.01921	3.7
177.05560	3.0
178.05038	1.3
178.99893	15.0
179.03465	3.1
181.01462	4.7
189.01929	3.6
189.05556	7.2
189.07614	3.2
191.03522	3.9
199.03923	2.0
201.05528	2.4
203.03775	1.6
205.01414	2.3
205.05110	2.3
206.99338	21.4
207.06647	2.6
208.00111	12.8
209.00928	35.2
217.05118	6.4
219.02968	2.4
219.06538	1.6
227.03484	1.2
233.04544	22.5
234.04860	1.8
245.04437	8.1
250.10690	1.6
251.75610	1.3
261.00485	2.8
263.05618	1.6
277.03610	2.2
289.03525	2.9
295.04596	3.4
307.04681	2.1
333.02670	8.8
334.02921	1.3
345.61960	1.2
351.03568	100.0
351.12558	2.8
352.04013	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	351.036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13649	0.8
59.01377	2.5
65.00307	1.4
71.01381	1.4
71.14591	0.9
71.14931	1.1
71.36877	1.0
85.02975	1.2
89.04026	1.1
91.01890	1.2
93.03490	2.2
95.01408	2.3
96.95988	0.9
97.02955	2.4
99.00892	9.1
101.12956	0.9
105.03455	2.1
109.02972	4.2
111.00892	2.3
115.05554	1.4
117.03471	2.4
119.01383	3.1
119.05056	6.6
120.10012	0.7
121.02954	2.2
121.06596	0.8
123.00948	1.9
123.04539	2.2
125.02456	3.3
131.01364	1.2
131.05019	4.6
133.02974	5.5
135.04520	7.6
137.02463	2.3
139.00372	1.1
141.03552	1.0
143.05025	0.9
145.02965	6.1
147.00899	8.1
147.04536	13.4
148.01642	3.0
149.02432	3.4
151.04019	2.4
157.01442	1.0
158.03694	1.8
159.04527	13.3
160.01619	2.1
161.02452	10.8
162.03122	1.7
163.00371	3.4
163.04016	16.1
164.01140	1.2
165.01894	1.5
169.01434	5.3
169.02937	1.7
173.02406	1.1
174.03244	1.2
175.00417	5.8
175.04004	27.2
176.01056	1.4
176.04401	2.3
177.01945	19.7
177.05516	1.3
178.02339	1.7
178.99895	2.2
179.03503	10.1
180.83308	0.8
185.02478	2.6
187.04028	16.5
189.01945	7.3
190.02620	2.4
190.99947	2.1
191.03496	5.0
192.00645	6.8
193.01373	2.6
194.01837	0.9
201.01923	1.4
203.03514	73.5
204.03922	6.0
207.03000	17.4
208.03401	1.6
213.01978	3.6
217.01483	1.3
217.05074	0.9
218.99417	5.7
219.02980	3.3
225.04103	1.5
230.02094	1.3
231.02995	100.0
232.03372	8.2
233.00864	2.2
235.06119	5.1
236.06639	0.9
237.00504	1.0
247.02451	4.2
251.01981	50.3
252.02330	3.2
253.03467	1.6
261.00418	15.4
262.00729	1.7
263.05615	5.5
275.01917	5.6
291.01532	2.8
307.04611	11.9
308.04950	1.7
327.32486	0.9
351.03586	65.6
352.03940	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	351.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
62.13064	0.6
69.03451	4.4
71.01390	12.4
71.05045	0.6
72.99312	22.6
75.00896	3.0
76.29196	0.6
77.31612	0.7
81.03462	17.7
82.03768	1.0
85.02961	2.6
87.00900	1.0
92.91887	0.6
93.03433	1.0
96.95995	0.8
97.02960	3.1
98.22520	2.0
99.00885	12.0
99.04555	0.7
102.13689	0.7
113.02489	1.4
117.01993	3.2
117.03464	3.3
119.05043	18.6
120.05334	0.8
125.02461	68.5
126.02797	1.4
129.01947	1.0
131.03500	1.0
133.02995	1.5
135.04610	0.7
139.64116	0.6
140.16272	0.6
141.01935	0.6
143.03517	11.5
145.01888	1.0
145.02972	14.4
146.03270	0.6
159.04561	1.0
161.02455	1.9
161.04578	5.0
163.04019	17.0
164.04337	0.8
169.01463	1.8
175.04016	1.1
177.01924	0.8
187.02504	15.3
188.02855	0.7
189.01981	0.9
192.59570	0.7
203.03552	1.4
204.43481	0.6
205.03551	100.0
206.03862	3.7
228.80002	0.9
231.02983	1.7
261.00388	4.2
290.09296	0.6
351.03232	1.3
351.07239	16.8
351.10376	0.7
351.21793	1.9
352.07480	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	351.1087
Annotation	Ningposide C
Peak:m/z	Relative Intensity
51.62644	2.0
57.03448	9.4
69.17625	17.8
73.02942	4.1
84.62137	1.9
98.22543	4.6
99.08169	25.2
113.06113	6.3
115.07659	100.0
116.07996	3.8
119.05035	61.7
119.39319	1.9
120.05361	3.1
121.39215	2.1
143.07144	19.1
159.06580	4.8
160.59294	2.0
163.04030	90.8
164.04379	4.3
269.83914	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06718	2.4
52.08184	2.8
53.97905	3.1
57.03450	6.6
66.58192	3.0
67.86761	2.4
68.06619	2.8
70.74337	6.6
72.99288	3.8
75.32497	2.4
99.08170	20.9
113.06096	3.5
115.07659	100.0
116.08012	4.7
119.05030	56.7
119.05854	5.3
120.05407	3.8
129.05557	9.4
143.07158	21.4
159.06654	7.5
163.04016	63.0
205.07179	47.1
270.30688	2.5
270.76657	2.7
358.27597	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	351.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89423	6.0
55.62082	6.5
58.02973	34.9
59.01369	10.6
61.98840	52.9
67.78668	6.0
69.51447	26.7
70.08781	6.6
88.35182	5.9
92.60960	6.7
98.21831	10.0
99.00922	6.1
101.07224	17.3
119.05050	24.6
125.07230	42.4
127.05194	39.9
143.08304	15.6
154.23177	9.4
202.10101	7.3
217.19009	6.7
221.13031	13.9
227.19481	6.8
237.19691	8.0
247.10962	57.3
263.14038	10.3
265.12003	35.1
307.12997	100.0
308.13440	11.4
351.16547	11.7
351.35107	7.0
360.24579	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	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38789	0.7
55.01870	0.9
55.59131	0.8
56.78915	0.8
57.03441	2.7
58.00593	1.0
59.01097	1.1
59.01385	21.1
61.98560	1.1
61.98837	11.3
64.05264	0.8
66.80816	0.9
69.03457	1.1
71.01037	1.2
71.01392	18.3
71.27194	1.1
72.99326	5.1
73.02949	2.3
75.00491	1.3
75.00881	17.4
85.02957	24.4
86.11234	0.7
87.00878	7.2
89.02456	5.5
92.55663	0.9
95.01384	7.3
96.96038	1.0
99.00890	10.7
100.68198	0.8
101.02460	1.5
101.06091	100.0
102.06417	2.8
103.00377	2.3
111.00910	1.9
113.02466	33.7
114.02873	1.1
115.00373	3.2
117.01958	3.1
125.02430	1.2
126.49553	0.9
129.01953	2.4
154.34232	0.8
164.33928	0.7
173.14552	0.9
175.02470	2.6
189.11418	1.3
205.07182	2.6
249.06186	5.5
264.30579	0.8
267.07236	5.5
278.88855	0.9
333.11890	3.1
351.12964	75.5
351.16562	4.1
352.13416	5.4
352.17175	1.2
373.94315	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74418	0.7
55.01896	0.7
57.03436	1.6
59.01376	14.0
59.19617	0.8
59.22758	0.7
60.01689	0.8
61.31493	0.7
68.99812	1.0
69.08448	7.3
71.01384	12.9
72.99317	3.6
73.02916	0.9
75.00879	15.5
77.73268	0.7
85.02958	15.7
86.03321	0.7
87.00879	6.2
87.31501	0.7
89.02458	3.1
95.01405	4.5
95.49202	0.7
98.21745	1.2
99.00887	9.1
101.06089	100.0
102.06413	2.3
103.00381	1.9
110.18094	0.7
113.02460	20.5
115.00377	1.6
117.01942	2.0
129.01958	2.6
140.07144	1.3
154.58311	0.8
175.02451	2.9
190.21028	0.7
211.10857	1.3
231.05074	2.1
249.06174	16.7
250.06462	0.8
267.07291	1.4
291.10983	1.1
333.11862	2.9
351.12973	57.4
352.13336	5.4
352.18567	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	351.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	11.8
58.02979	36.4
59.01384	22.2
70.77910	30.2
71.02444	10.9
82.47391	10.6
85.06548	10.9
89.61002	10.2
94.90144	11.5
99.08176	22.1
104.20150	11.5
113.06065	19.5
115.07661	100.0
116.05083	37.8
119.05049	90.9
123.90203	11.9
143.07109	13.0
154.78381	13.3
163.04044	95.0
212.07249	23.9
218.43080	10.2
260.07468	29.3
266.32623	10.5
275.12247	15.0
319.11002	15.5
351.21854	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45466	1.3
56.73989	1.4
57.03445	1.8
59.01388	2.5
61.98837	73.2
62.41817	1.5
69.57401	8.7
71.01370	1.5
72.99294	1.7
75.00858	2.1
77.03986	2.0
79.01916	1.6
81.03479	1.4
85.02962	3.5
94.27505	1.5
97.96458	1.2
98.21741	1.8
101.06086	8.4
102.06435	2.2
103.01887	1.4
113.02488	2.6
121.02990	2.7
126.43882	1.5
135.04550	3.3
149.02339	1.6
161.06084	5.0
163.04018	7.0
173.04619	3.6
179.03477	2.1
190.02727	2.5
191.03574	2.9
191.05522	2.2
203.00125	1.5
205.05074	86.5
215.03528	3.6
233.04561	100.0
245.04594	2.1
263.05618	2.7
352.13306	8.6
353.08835	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51407	2.4
57.22676	2.4
61.98836	100.0
69.07442	25.9
92.10741	3.1
108.02418	2.9
130.88191	3.1
156.56406	2.8
197.04585	2.9
218.45580	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	352.104
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
57.03441	5.1
58.02979	2.9
58.97724	1.5
59.01387	14.0
66.03492	3.6
67.01854	1.7
70.79803	4.6
71.01380	9.0
73.02965	2.3
83.25562	1.5
85.02959	37.5
87.00890	4.5
89.02450	3.5
98.06149	2.5
99.00877	2.7
101.02476	3.9
112.03994	1.6
112.07704	11.0
113.02429	8.8
114.05618	18.4
115.08796	5.2
116.05090	8.7
128.05083	3.7
129.01944	7.7
131.03804	7.9
132.04581	17.8
133.02959	3.0
135.04533	5.4
139.08829	2.0
140.07201	34.8
141.07553	2.2
141.10370	4.5
144.04567	40.3
146.06134	100.0
147.03107	10.5
147.06451	6.1
158.06148	6.0
160.04042	3.6
161.02470	7.8
162.05602	6.6
165.06737	2.3
170.06133	7.6
172.04059	38.0
173.04495	2.5
179.03487	3.9
183.11465	1.9
186.05608	3.6
188.03476	2.2
190.05124	88.3
191.01987	22.9
191.05544	10.1
195.11383	5.7
206.12758	1.9
211.10910	19.9
214.05141	4.5
232.06142	26.4
233.06512	2.0
292.08023	1.7
308.19763	15.3
316.05151	1.9
341.52982	1.7
352.10413	3.7
352.18805	62.7
353.19046	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	353.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85844	1.6
55.01893	3.0
57.03451	20.0
59.01394	2.8
71.78235	1.5
76.27811	1.5
80.77610	1.9
83.01406	2.3
84.02142	2.9
85.02956	100.0
93.03516	2.1
98.22601	3.4
111.00925	2.8
129.01959	38.9
135.04547	20.5
147.03029	14.0
155.39296	1.8
161.02414	5.0
173.00894	8.5
174.37335	1.8
179.03511	11.9
191.01990	70.2
191.05614	17.7
192.02296	2.9
353.04745	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	353.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
57.03453	18.6
59.01368	3.5
70.34262	1.4
70.37592	1.4
70.53658	3.6
75.06894	1.3
79.00491	1.2
83.01381	2.0
84.02176	1.4
85.02957	100.0
86.03301	2.5
98.21860	1.4
103.00397	1.9
129.01962	29.7
133.02995	1.8
134.03802	1.8
135.04504	10.8
144.80048	1.4
147.03000	8.1
152.30331	1.3
161.02405	2.5
173.00951	3.7
179.03532	6.5
191.01991	87.8
191.05577	19.6
192.02319	2.3
315.56116	1.5
325.34436	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	353.0516
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
50.13297	1.0
51.91715	1.0
55.01861	3.0
57.03455	13.5
59.01387	7.4
71.00401	2.7
71.01393	2.5
77.08350	1.1
83.01369	1.4
84.02176	2.7
85.02958	100.0
91.15339	1.1
109.02940	3.1
129.01952	11.6
132.03056	1.7
133.02986	16.0
134.03804	2.4
135.04544	36.0
140.07158	2.8
147.03003	47.1
148.03377	1.8
161.02458	67.3
162.02815	3.4
163.03958	1.5
173.00882	5.8
179.03516	23.5
191.01987	33.1
203.03519	1.5
203.07390	1.3
207.91342	1.1
213.07974	1.2
219.02969	4.1
247.06125	10.9
352.18936	1.9
353.05136	7.8
353.19107	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	353.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03461	12.9
59.01386	3.6
64.94904	1.0
71.01379	1.8
72.36170	1.2
83.01393	1.5
84.02193	1.7
85.02961	100.0
86.03300	3.3
103.00342	1.4
107.69914	1.1
109.03000	2.3
129.01978	13.3
133.02980	15.2
135.04547	26.6
147.03024	44.7
148.03253	1.1
161.02469	63.2
162.02821	3.3
162.32254	1.2
163.04015	1.3
173.01010	5.9
179.03534	16.3
191.02017	17.9
191.03619	2.1
191.05605	2.0
211.15147	1.2
219.02924	1.3
227.58031	1.1
247.06125	8.7
348.16092	1.1
353.05048	4.5
353.13690	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	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30727	0.6
61.98848	3.5
62.15530	0.5
65.64702	0.5
71.26814	1.0
77.03995	2.7
79.01914	1.2
81.03452	1.5
83.01389	1.7
85.02951	1.0
91.49774	0.5
93.03461	1.3
95.05050	1.8
105.03416	1.0
119.05046	2.7
121.02954	2.5
125.02466	0.6
133.02968	0.6
133.06615	1.4
135.04520	3.9
137.06067	1.3
146.03813	0.9
147.04509	0.7
149.02449	2.1
159.04495	0.8
161.02466	2.5
161.06076	4.0
163.00346	0.6
163.04001	6.6
164.04320	0.8
173.04607	4.0
175.03987	0.6
177.05576	0.9
179.03500	3.4
189.05644	1.1
190.02762	1.7
191.03531	2.9
191.05605	1.9
203.03461	1.9
205.05078	81.4
206.05406	5.9
215.03513	3.2
217.05174	1.2
231.02945	1.2
233.04567	100.0
234.04875	6.3
245.04570	2.8
263.05627	2.2
301.76840	0.5
353.08817	54.5
354.09177	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	353.0881
Annotation	Biflorin
Peak:m/z	Relative Intensity
50.40615	0.7
54.59629	1.0
64.78004	0.8
67.27420	0.7
69.08643	6.7
71.01378	1.4
77.03972	1.1
79.01891	1.5
81.03449	1.9
83.01385	2.2
85.02973	5.9
96.19238	0.7
97.59628	0.8
100.40147	0.8
105.03489	1.0
106.85719	0.8
107.01382	0.8
119.05040	6.9
121.02969	2.4
129.01964	0.9
133.06607	1.0
135.04541	2.5
149.02431	1.0
157.93449	0.9
159.04538	0.8
161.02484	1.3
161.06113	8.4
163.04015	2.5
166.40898	0.7
177.05565	0.8
191.01993	2.2
191.03520	5.3
191.05612	4.3
191.90450	0.8
203.03535	8.5
204.04271	2.6
205.05072	69.5
206.05453	4.2
215.03503	1.8
217.05078	7.5
231.02937	1.8
233.04570	100.0
234.04915	8.6
236.03308	3.0
245.04596	11.3
261.03909	0.9
263.05618	23.6
263.08331	1.6
264.05844	1.7
275.05676	2.2
304.95477	0.8
335.07602	1.0
353.08801	41.7
354.08896	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	353.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.1
60.99295	8.0
70.19653	9.8
85.02966	7.5
85.03648	3.0
88.98817	100.0
96.96001	4.8
111.00863	8.0
126.94490	4.4
131.08224	3.7
173.04588	3.3
187.66353	3.8
191.05611	14.1
192.03004	7.6
221.04561	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	353.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00132	3.2
54.73612	2.8
59.01383	27.2
69.09560	22.2
71.01395	24.3
73.02953	22.5
78.95902	3.4
79.79033	3.1
81.03434	3.2
83.05058	7.4
85.02969	22.4
89.02445	26.2
93.03468	59.1
99.00899	7.0
99.04508	6.8
101.02470	5.1
111.00880	9.1
111.04536	27.7
112.08885	3.6
113.02453	7.3
119.03474	3.6
135.04559	4.3
137.02490	14.8
143.03499	6.1
155.03600	16.3
161.02406	4.3
167.61189	2.8
167.69072	3.4
173.04561	100.0
173.06050	6.0
174.04889	4.5
179.05664	7.8
179.24530	2.6
182.24998	2.8
191.01953	9.9
191.03522	4.7
191.08496	3.4
195.05783	3.6
247.02464	5.9
252.50322	3.4
291.01538	6.9
298.15726	3.1
343.48892	2.9
353.01480	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	353.1245
Annotation	Piptocarphin D
Peak:m/z	Relative Intensity
56.97955	0.5
57.09092	0.5
65.00306	0.6
67.01885	1.0
71.01376	0.7
71.27290	0.7
71.27656	0.5
72.99286	0.7
75.01675	0.5
77.74771	0.5
81.03455	2.2
82.00657	0.5
83.32426	0.4
84.71618	0.4
95.01385	1.3
96.04675	0.4
99.00870	0.8
109.06586	1.1
110.00099	1.1
111.00885	4.6
111.08179	1.0
123.00889	8.4
123.08170	2.2
124.01687	1.6
125.02463	20.7
126.02779	0.6
127.00376	1.7
136.04001	0.8
136.98810	2.7
139.00385	6.0
139.07669	1.4
140.01187	7.0
141.01906	0.9
141.09209	1.6
151.00375	4.6
151.07672	1.2
153.01978	0.8
154.99823	0.6
161.06105	0.6
168.00653	6.4
169.01447	17.3
169.08717	7.4
183.02998	1.6
191.70424	0.4
308.45010	0.5
353.12442	100.0
354.12772	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	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
61.98832	0.5
69.21574	1.4
69.21988	0.8
70.74049	0.3
79.95757	0.4
81.89593	0.3
94.34895	0.4
96.96024	4.4
98.21766	0.5
105.14679	0.3
107.05064	0.3
147.08163	0.4
163.11311	100.0
164.11646	6.0
177.09235	76.4
178.09583	4.6
182.75766	0.3
194.05884	0.3
222.08960	0.5
224.00702	0.3
353.21240	96.0
354.21588	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	354.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45974	1.4
55.10055	1.5
64.46549	1.7
84.04560	15.9
85.02952	4.9
92.17532	1.9
96.48754	1.4
112.88971	1.7
123.00921	2.2
127.55863	1.6
130.08783	2.6
138.03230	5.5
145.02939	4.1
153.05605	2.2
160.01668	2.9
161.02451	28.0
162.02292	59.0
163.02339	1.6
163.07655	1.6
167.01888	1.7
175.03978	6.5
176.04816	7.8
177.05583	22.7
179.01683	3.4
183.01335	1.7
190.06396	1.7
191.07086	7.1
192.07521	11.8
195.01207	7.5
195.19467	1.7
203.03569	2.6
204.58131	1.6
209.02814	33.0
210.03540	14.0
225.02332	3.4
225.05916	100.0
226.06207	7.0
229.08652	2.0
247.02487	4.1
273.00284	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	354.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
57.03437	8.7
59.01384	100.0
69.44882	11.9
71.01391	48.2
73.02949	15.8
75.00830	2.9
83.01378	3.2
85.02957	46.7
87.00900	2.2
89.02477	3.6
95.01405	2.9
99.00877	5.8
101.02451	25.4
113.02441	18.4
117.03463	2.0
125.02406	3.9
134.03694	5.5
135.04507	2.3
143.03482	3.2
143.48325	2.2
145.02960	3.9
147.03029	3.4
147.04460	3.2
159.02985	7.6
159.04457	2.6
161.02449	4.5
161.04567	97.5
162.04884	5.4
171.66656	2.0
173.02419	2.7
175.03941	4.8
177.01938	2.6
188.05652	5.5
191.02022	5.7
193.05098	3.1
198.08145	1.8
201.02005	2.9
203.03494	4.4
209.03035	11.6
226.89897	2.3
229.01509	3.2
231.03069	4.0
247.02594	2.9
257.00748	2.5
275.02109	3.4
279.05225	2.8
300.99973	2.6
335.44849	2.0
354.03006	3.5
355.04022	3.6
361.51422	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	354.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01379	1.5
67.92276	0.5
70.02997	0.6
70.60835	1.4
71.01388	1.8
72.99301	0.7
75.00861	0.6
78.53896	0.4
85.02960	11.4
89.02452	1.0
94.60730	0.4
95.54024	0.5
101.02478	0.6
113.02435	0.5
121.02962	1.1
122.03776	0.8
123.04542	2.7
125.02457	0.6
129.01945	0.7
135.04518	2.0
135.24173	0.5
136.14873	0.5
137.02501	0.5
138.64200	0.5
147.02998	0.8
149.06062	0.8
165.01929	0.5
169.01427	1.0
175.03955	0.5
180.03790	0.5
191.01967	3.2
192.06689	100.0
193.01411	2.9
193.07019	5.7
209.03053	4.8
311.49182	0.4
321.75330	0.5
354.12061	3.5
355.12231	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	354.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34077	1.3
69.01758	12.3
71.90995	1.3
86.02486	12.3
87.99938	1.7
89.00682	11.9
91.15748	1.1
94.06103	1.2
101.00679	16.5
119.60692	1.3
145.86339	1.1
161.48816	1.1
169.10300	1.5
175.11253	2.5
175.53122	1.1
189.12918	1.7
205.10516	3.6
223.11639	77.3
224.11978	4.4
249.09488	1.7
267.10623	100.0
268.10889	8.3
336.12579	1.2
351.46210	1.2
354.13843	15.3
355.14209	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	354.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67319	0.9
57.03434	4.3
58.02969	3.1
59.01380	2.9
64.88243	0.9
66.03479	2.2
67.20085	1.0
69.71941	1.6
69.72348	3.5
70.02975	1.5
70.68788	0.9
71.01383	1.2
73.04070	2.5
80.84303	0.9
84.00912	1.4
84.04536	1.0
85.02478	1.6
85.02961	25.0
96.92297	0.8
98.02496	20.1
98.06124	3.2
99.02832	1.6
99.05641	3.3
110.06164	1.1
110.31390	0.9
113.07255	1.5
114.05618	51.1
115.05124	2.4
115.05900	1.2
119.05060	1.0
124.04077	3.0
125.03564	4.9
125.07158	1.4
129.01935	1.4
133.37149	1.0
134.03746	3.1
140.07216	2.0
147.02963	1.7
149.06032	1.2
149.95689	0.9
152.05840	1.6
152.07106	1.3
153.06718	26.6
164.01178	1.4
165.01869	1.2
165.06718	1.3
167.04616	2.6
167.08238	1.9
187.93436	1.0
191.01996	5.3
192.00644	1.4
193.04988	2.4
195.07759	100.0
196.08064	3.4
196.10786	1.6
209.03047	5.2
211.10893	36.7
212.11253	2.2
224.13933	1.7
266.15094	10.2
310.14108	47.3
311.14398	4.1
354.16718	48.1
355.06802	1.6
355.17014	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	355.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
59.96937	1.2
66.99967	1.3
68.43217	1.1
69.11990	11.3
70.77608	1.3
79.01283	1.2
85.02938	1.6
89.46643	1.3
96.96042	3.5
107.01398	18.2
125.02455	39.6
149.02492	1.5
169.01440	100.0
170.01765	3.6
193.01363	2.3
193.28371	1.4
219.39839	1.3
235.02583	1.8
248.97112	2.7
337.02161	1.5
355.01315	12.6
355.14175	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	355.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.6
57.03471	14.2
59.01382	7.9
69.22511	8.0
69.22932	15.8
71.01395	7.2
83.01369	2.9
85.02962	100.0
98.21772	6.0
99.00890	4.5
111.00963	3.4
113.02464	3.5
121.06590	3.5
125.02442	7.2
129.01933	5.0
131.08269	3.5
133.06635	8.8
134.03772	5.4
137.02487	3.3
138.03235	12.1
146.03784	3.1
147.03009	12.2
147.77286	3.6
149.02435	14.3
149.06107	4.4
151.04092	5.8
151.07632	3.0
156.54736	2.8
159.04498	5.2
161.06137	9.9
162.03249	4.9
163.04030	20.9
164.01225	3.0
164.04802	4.8
164.37910	2.9
166.99887	2.8
175.21631	2.8
177.05475	4.4
179.07159	30.0
187.03993	8.0
190.02780	4.2
191.02007	22.5
193.01443	32.7
193.05048	8.2
205.05083	37.9
207.29089	3.0
209.03032	34.9
223.06210	3.1
249.04103	20.7
254.51125	3.4
265.03738	3.0
267.07449	3.7
337.02069	52.0
355.02997	5.9
355.07077	4.3
367.05368	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	355.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.1
59.01378	6.2
62.09383	2.3
69.68629	10.3
71.01374	5.7
71.32466	2.1
72.99300	2.8
73.02995	2.2
75.00878	2.7
85.02960	43.3
95.05024	2.2
99.00902	4.8
100.10094	2.1
105.03461	3.2
107.05009	3.6
111.00877	3.9
115.05556	2.4
119.05037	4.5
121.02959	30.3
121.06592	6.4
123.04562	2.6
125.02429	4.8
129.01941	3.1
133.06633	13.1
135.04520	9.2
137.02463	5.2
138.03242	12.6
138.20367	2.0
143.05058	3.0
145.02972	6.8
146.03755	2.7
147.03015	13.8
149.02455	17.4
149.06090	8.7
151.04015	14.6
151.07622	5.1
159.04504	10.0
161.02487	2.4
161.06128	20.9
162.03229	5.4
163.04025	41.0
164.04814	13.8
165.01926	4.6
171.41086	2.3
175.02455	2.3
177.05603	9.3
179.07182	34.6
181.05141	4.7
187.03996	12.0
189.17010	1.9
190.02722	7.9
193.01436	42.4
203.03526	3.2
205.05060	57.4
206.05322	4.2
220.29547	2.3
223.06136	5.3
231.02971	3.4
233.00735	2.5
237.00443	4.3
249.04062	49.1
250.04420	3.3
266.80936	2.0
267.05109	6.0
293.03067	9.8
311.04080	5.7
311.07800	9.5
321.37134	2.3
337.02042	100.0
338.02338	9.2
355.03040	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	355.031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67786	1.5
55.01888	2.8
57.03455	8.2
59.01382	6.0
69.54204	9.3
71.01389	7.0
72.99320	2.0
84.02202	2.3
85.02958	57.5
88.98810	2.0
89.02448	2.3
98.22497	2.9
99.00917	4.9
105.03471	2.9
105.07111	2.1
119.05036	6.3
121.02970	5.8
121.06618	5.9
123.04556	3.1
124.01667	2.1
129.01973	3.0
131.05061	2.8
133.01448	1.9
133.06589	15.2
135.04562	8.8
137.02472	6.2
138.03241	4.5
143.05078	2.7
145.02971	6.1
146.03784	3.1
147.03011	4.4
149.02475	14.9
149.06097	6.7
151.04033	15.6
151.07675	5.8
154.14011	1.8
159.04547	11.1
160.05328	2.3
161.02417	1.9
161.06104	23.0
162.03249	7.2
162.06377	2.2
163.04041	35.9
164.04851	8.4
165.01949	4.1
175.03963	2.5
177.01932	4.4
177.05606	10.8
179.07155	16.3
181.18776	1.6
187.04047	15.5
190.02731	9.9
190.29742	1.7
191.01984	13.0
191.03499	3.0
193.01440	40.0
194.01854	3.0
203.03523	5.5
205.05083	53.8
206.05460	5.6
209.03065	17.8
221.04634	2.4
223.06126	2.0
233.00710	1.9
237.00467	4.2
249.01508	2.6
249.04080	45.6
250.04437	3.0
293.02972	8.0
337.02045	100.0
338.02417	9.9
355.03055	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	355.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06442	1.3
56.56375	1.3
57.03441	6.0
59.01385	6.9
70.45072	2.9
71.01373	2.7
79.05523	1.7
84.02179	1.6
85.02960	44.2
93.03496	1.6
99.00874	4.3
104.51750	1.3
105.03493	3.1
107.05036	2.0
109.02988	2.6
111.00864	2.1
118.16292	1.5
119.05038	5.3
121.02975	5.2
121.06595	5.0
123.04552	2.8
124.01656	2.1
129.01973	1.9
133.06612	19.1
135.04504	9.6
137.02434	5.7
138.03233	7.9
143.05040	1.5
145.02980	6.1
146.03725	2.6
147.03033	3.5
147.04378	1.4
148.01718	1.4
149.02457	14.9
149.06116	4.6
151.04013	17.8
151.07631	4.8
159.04510	13.5
160.05283	3.2
161.02458	3.0
161.06099	25.9
162.03268	8.3
163.04022	44.6
164.04825	9.9
165.01944	5.2
167.03462	1.6
175.03958	2.5
177.01956	2.3
177.05620	12.6
179.05685	2.4
179.07170	27.0
180.07542	1.6
187.04007	20.4
190.02722	10.4
191.01978	6.6
193.01440	52.7
194.01726	2.5
203.03584	4.4
204.04205	1.8
205.05075	55.9
205.73248	1.4
206.05357	3.8
209.03050	13.6
219.03069	1.8
221.04523	3.0
223.06046	2.7
231.03052	2.3
233.00900	2.7
237.00348	4.6
249.04063	48.2
250.04410	2.6
267.04977	1.9
275.01962	1.8
293.02936	7.4
311.04025	1.8
337.02039	100.0
338.02411	9.2
355.03043	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	355.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03180	1.1
57.03452	14.5
59.01381	6.9
65.40731	0.8
70.76978	2.0
71.01399	4.2
72.99329	1.1
73.02929	0.6
74.02492	0.9
75.00894	1.3
83.01385	1.8
84.02184	2.9
85.02962	100.0
86.03312	2.7
86.33109	0.7
87.00890	1.4
89.02436	1.1
101.02492	1.0
103.00411	1.9
111.00788	0.8
119.05055	4.7
129.01993	4.8
133.01424	1.4
138.03175	0.7
147.02994	7.7
163.04039	5.7
169.01440	1.2
191.01990	18.8
193.04993	1.1
194.08205	1.8
209.03053	24.4
210.03438	1.0
275.78708	0.8
332.27148	0.8
337.02115	1.1
377.56143	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	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43380	0.7
55.01870	3.3
57.03454	13.6
57.14140	0.7
59.01380	9.1
64.03772	0.7
65.25562	0.7
67.01897	0.8
69.91895	0.7
71.01389	9.1
72.99313	1.4
75.00883	1.9
83.01406	2.1
84.02162	2.4
85.02958	100.0
86.03291	3.0
86.21529	0.7
87.00859	1.4
89.02443	2.3
90.57942	0.8
90.81494	0.7
101.02553	0.7
102.99204	0.9
103.00391	1.4
119.05041	3.3
129.01952	6.2
133.01469	4.4
147.03000	9.3
163.04015	0.9
173.16624	0.8
191.01996	23.4
191.52104	0.8
192.02267	1.4
193.05159	0.9
198.73007	1.0
202.32565	0.7
209.03043	66.6
210.03442	2.2
294.56845	0.9
314.48038	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	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03453	14.1
59.01384	10.0
61.50310	1.2
69.73402	6.6
71.01389	9.4
72.99283	1.9
75.00855	1.4
77.62117	1.3
77.67608	1.2
84.02168	1.8
85.02958	100.0
85.78577	1.0
86.03297	2.4
89.02460	2.7
95.08520	1.3
102.37756	1.1
119.05019	3.8
129.01967	5.8
133.01425	4.1
139.13901	1.1
147.03001	7.7
162.74467	1.2
163.03922	2.7
191.01981	21.0
192.02394	1.4
209.03041	58.6
210.03394	2.6
243.74310	1.4
253.99884	1.3
256.55203	1.2
274.41779	1.4
296.86154	1.3
304.43518	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	355.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
56.03386	0.9
57.03455	14.7
59.01379	5.4
62.20632	1.0
69.32818	7.7
71.01377	2.9
83.01385	2.3
84.02160	2.7
85.02956	100.0
86.03293	2.2
87.00853	1.1
98.22398	1.4
103.00404	1.0
104.44184	0.9
107.34303	0.9
111.00887	1.3
119.05034	3.5
129.01930	6.5
134.03757	80.1
135.04074	3.2
137.02429	2.2
139.04018	1.3
147.03018	10.1
149.06090	18.9
163.04001	2.7
178.02727	13.1
191.01994	20.6
193.05072	73.2
194.05434	4.5
207.02554	1.0
209.03058	10.0
244.06961	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.5
59.01375	3.5
65.69749	0.7
69.41035	5.0
71.01380	2.0
75.00852	1.0
81.54242	0.7
84.02163	1.4
85.02961	57.0
86.03268	1.6
87.05941	0.8
119.05059	2.5
125.02454	1.0
127.88869	0.7
129.01987	4.9
134.03766	100.0
135.04079	5.6
137.02483	4.7
139.04008	1.2
147.03018	6.0
149.06094	30.9
150.06477	1.0
163.04057	2.0
164.01192	4.0
165.01918	2.7
172.86050	1.0
178.02742	17.3
191.01999	9.9
192.00647	5.1
192.06064	1.0
192.50403	0.8
193.01476	4.2
193.05069	90.9
194.05469	4.8
209.03035	8.3
341.15442	0.9
355.06747	2.4
357.14032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
57.03451	7.5
59.01375	3.5
65.69749	0.7
69.41035	5.0
71.01380	2.0
75.00852	1.0
81.54242	0.7
84.02163	1.4
85.02961	57.0
86.03268	1.6
87.05941	0.8
119.05059	2.5
125.02454	1.0
127.88869	0.7
129.01987	4.9
134.03766	100.0
135.04079	5.6
137.02483	4.7
139.04008	1.2
147.03018	6.0
149.06094	30.9
150.06477	1.0
163.04057	2.0
164.01192	4.0
165.01918	2.7
172.86050	1.0
178.02742	17.3
191.01999	9.9
192.00647	5.1
192.06064	1.0
192.50403	0.8
193.01476	4.2
193.05069	90.9
194.05469	4.8
209.03035	8.3
341.15442	0.9
355.06747	2.4
357.14032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07180	0.6
57.03424	0.7
59.01086	1.2
59.01385	16.5
70.91418	1.3
71.01393	7.0
78.78933	0.7
84.98219	0.8
85.02951	6.1
89.02459	3.1
91.13686	0.6
94.01730	0.7
94.72417	0.7
101.02474	1.9
109.57167	0.7
113.02458	1.7
115.00369	3.7
119.03506	1.2
125.02489	1.4
126.82815	0.7
132.02182	13.1
133.01431	4.1
134.03766	10.4
147.04512	0.8
149.06084	2.6
160.01677	66.5
160.97443	0.9
161.02034	3.8
175.04016	100.0
176.00558	0.7
176.04417	5.7
178.02640	0.7
191.01950	0.9
191.07195	2.3
193.05074	15.7
195.10321	2.1
202.02672	0.9
207.06729	0.9
209.03044	2.9
217.04950	4.6
235.06113	4.3
239.09270	9.7
265.07196	1.0
295.08215	2.5
304.18829	0.7
355.10266	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65607	1.3
55.01868	1.3
57.03456	7.5
58.00578	1.4
59.01382	12.5
70.31355	1.3
71.01398	7.9
71.27234	1.8
72.99308	1.3
84.57805	1.2
85.02959	74.8
86.03315	1.5
87.00905	1.8
89.02441	4.9
101.02474	2.9
103.00304	1.3
113.02458	2.1
121.02940	4.0
125.02464	1.8
129.01953	3.7
132.02188	15.3
133.02962	1.9
134.03758	62.8
135.04024	2.1
137.02458	8.5
139.03989	4.1
144.48004	1.2
147.03004	8.1
149.06100	18.9
150.06410	1.6
160.01675	61.3
161.01997	4.7
175.04021	96.8
176.04390	5.0
178.02737	28.7
179.02997	1.7
182.02211	2.1
191.01964	18.3
191.07155	2.1
193.05069	100.0
193.28201	1.3
194.05440	5.4
197.04578	3.1
209.03043	41.7
210.03337	2.2
217.05032	5.7
235.06105	3.7
295.08182	1.5
350.79892	1.4
353.48410	1.5
355.03391	2.6
355.10297	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	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01385	9.3
65.65762	0.3
70.30853	1.2
71.01392	5.5
85.02962	2.3
89.02455	3.5
95.01360	0.6
101.02479	2.0
113.02472	1.8
118.37564	0.4
118.86572	0.4
119.03510	1.2
121.02964	1.5
123.00863	0.5
125.02431	0.4
132.02190	15.3
134.03760	9.6
147.04507	0.7
149.06058	2.1
153.05582	0.8
160.01674	67.0
161.02025	3.9
163.03888	0.4
165.07956	0.4
174.03288	0.5
175.04018	100.0
176.04362	6.3
178.02742	0.7
182.02135	0.7
191.07216	2.5
193.05069	15.9
194.05383	1.1
197.04565	2.0
202.02676	0.4
207.06615	0.6
217.05046	5.0
235.06142	3.9
260.37448	0.4
265.07193	1.1
295.08139	1.8
298.84671	0.5
355.03500	1.1
355.10284	4.2
356.10559	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	355.1038
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
57.03446	1.6
59.01379	1.8
71.01385	1.4
72.86907	0.7
75.00873	0.9
78.94048	0.5
85.02959	11.6
91.24731	0.5
93.03483	0.6
98.21728	1.1
98.22419	2.9
106.06655	2.8
109.02956	0.7
111.00888	0.8
117.03518	1.0
119.04999	0.7
121.02966	1.4
123.00903	0.8
125.02460	1.5
130.08748	2.1
133.02968	5.5
134.03763	6.7
136.84625	0.6
137.02438	6.7
139.04034	1.4
141.02074	0.6
143.07166	1.0
145.02989	1.2
147.03035	0.7
147.04492	0.8
149.02475	0.6
150.05595	1.9
151.03976	0.6
154.39738	0.6
161.02472	9.8
162.02962	0.8
163.04021	1.0
164.07074	0.6
169.01469	1.7
173.02385	0.7
174.03160	0.8
175.03984	1.5
177.01985	1.0
178.02736	1.6
179.05681	0.8
179.10811	0.7
189.01704	0.5
191.01997	2.0
191.03513	0.9
192.04173	1.2
193.05077	100.0
194.05510	5.2
201.01920	0.8
203.03519	2.2
209.03047	4.1
217.01398	1.0
221.04610	0.7
229.01398	0.9
230.01978	0.5
231.02919	0.7
245.00990	0.7
247.02518	2.8
248.02832	0.6
249.04144	0.9
257.00876	1.2
273.00537	0.9
275.02136	1.0
301.00098	1.2
355.04196	1.7
355.10278	4.6
355.13742	1.0
356.20865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.18515	1.5
65.10683	1.3
69.68703	3.0
69.69104	7.1
77.09264	1.3
79.43192	1.4
85.02965	3.6
101.06055	1.4
109.02971	1.9
122.03778	7.6
127.07722	1.7
135.04532	21.0
136.01685	3.3
149.06027	2.0
149.09761	6.8
151.07657	2.8
154.02711	2.6
161.09761	8.9
163.07668	2.9
163.11307	44.9
164.08432	11.9
164.11642	3.2
165.09213	8.3
177.00002	1.3
177.07666	2.4
177.09230	59.3
178.10037	17.3
179.10793	69.7
180.11162	3.6
182.69420	1.3
183.10223	2.7
191.10817	12.5
193.08728	6.6
194.08266	2.6
280.14743	2.5
298.15784	44.8
299.16180	5.8
307.16849	1.4
337.21771	39.7
338.22122	4.9
340.20438	71.0
341.20673	11.7
355.22806	100.0
356.18692	5.4
356.23172	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	355.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	21.4
66.93165	3.1
71.04520	7.2
71.05025	43.1
83.05036	5.0
85.02966	9.7
85.06599	57.5
95.05054	3.1
109.06661	3.6
120.99652	12.8
125.09749	7.7
143.10793	24.5
153.12878	19.6
165.12851	4.4
171.13905	8.2
206.73788	3.1
211.13390	3.5
224.37241	3.0
229.18233	5.9
235.20695	13.9
236.43355	3.4
253.21886	4.2
293.24905	4.5
295.05164	2.9
311.25995	53.0
312.26184	9.0
327.21988	10.9
355.24918	100.0
356.25317	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	355.2494
Annotation	2alpha,3alpha,4beta,15,16-Pentahydroxy-ent-cleroda-13Z-ene
Peak:m/z	Relative Intensity
50.64483	4.2
52.98238	4.4
69.03726	32.1
69.04149	14.5
79.63003	4.4
92.03108	4.0
99.92611	8.6
117.56506	4.0
139.11327	7.0
311.25940	9.0
319.71194	5.0
325.23895	26.2
355.24915	100.0
356.25369	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	356.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
56.02234	1.1
57.03455	15.2
58.03788	4.1
59.01375	7.8
71.01381	3.8
72.99300	1.9
75.00913	1.2
76.91241	0.9
84.02192	1.8
85.02958	100.0
86.03296	32.9
86.03783	1.9
98.21747	2.9
103.00385	1.2
108.04597	3.0
111.00879	1.4
112.39111	1.1
115.00441	1.4
119.05053	2.2
120.05372	1.7
123.87642	1.1
129.01967	6.2
130.02303	2.4
134.03780	2.1
135.04141	2.2
147.03033	9.0
148.03368	3.9
150.05661	1.2
164.04352	2.4
191.02003	16.2
192.02327	12.4
193.02429	1.5
193.04987	1.2
194.05389	2.5
207.41905	1.0
209.03052	12.4
210.03349	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	356.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03453	5.7
58.03788	1.2
59.01368	2.7
69.52776	4.2
71.01377	2.3
84.02159	1.1
85.02961	30.2
86.03288	10.1
89.02352	0.7
98.22477	0.9
108.04569	100.0
109.04908	3.8
122.10085	0.7
129.01968	2.2
130.02307	1.3
147.03001	2.0
148.03337	1.5
150.05620	85.8
151.05977	4.6
162.67041	0.6
185.55060	0.8
191.02039	5.7
192.02310	3.7
193.02478	1.1
209.00175	0.6
209.01137	1.3
209.03026	10.0
210.03442	6.5
211.03621	0.9
241.31888	0.7
287.73138	0.8
328.58838	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	356.1141
Annotation	Toddaliopsin B
Peak:m/z	Relative Intensity
56.69606	2.9
60.62727	2.3
69.27886	20.1
85.01186	2.4
86.79559	2.8
90.96307	2.3
98.22546	3.4
105.03469	3.2
121.02973	3.4
134.03729	3.6
135.04541	19.2
141.36299	2.6
147.04584	3.6
148.05324	67.3
149.05588	3.7
158.90384	2.7
164.03879	3.4
176.03568	5.5
178.05127	32.0
180.06648	32.1
190.05132	22.1
191.65213	2.5
192.04321	8.6
214.02731	3.1
217.62759	2.4
297.10126	10.6
298.01215	37.5
312.12482	20.3
313.03693	21.8
313.13165	3.2
341.09155	4.8
356.11444	100.0
357.07764	2.6
357.11591	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	356.1355
Annotation	Bakankoside
Peak:m/z	Relative Intensity
53.85929	0.9
55.01887	1.6
58.31550	0.9
59.01389	4.8
71.01392	8.6
73.02951	2.9
74.02482	66.9
75.02810	1.5
82.78094	0.8
83.01400	2.6
85.02978	8.9
86.03307	1.5
93.03480	3.8
97.02975	0.9
99.00902	1.5
101.02464	7.3
103.50039	0.9
107.05048	1.5
108.04580	9.8
111.00878	1.2
113.02449	2.0
119.05032	12.0
124.52914	0.9
125.02427	2.3
129.01959	1.0
135.04510	1.4
136.07715	1.9
137.02448	7.2
150.05629	7.4
150.06816	2.2
151.04018	1.2
169.01469	2.5
175.03981	1.3
191.02016	1.6
194.08244	100.0
195.08609	5.5
197.68112	0.9
210.03506	1.8
228.72174	1.4
356.13541	55.1
357.13867	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	356.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	75.7
69.38972	100.0
70.15002	16.3
72.02293	15.0
87.84030	14.6
101.92635	14.9
104.35013	16.6
181.73166	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	356.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65744	16.6
53.55919	15.3
69.49880	35.4
69.50291	100.0
88.04051	33.7
98.21851	32.9
104.44055	19.0
130.08719	40.3
145.73553	19.4
151.77278	21.0
251.01912	18.8
296.02536	19.5
353.86130	17.3
356.21017	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14007	0.3
68.98353	4.0
76.34858	0.8
111.48256	0.4
128.83977	0.4
131.38753	0.4
131.77116	0.4
141.64078	0.4
158.03690	0.6
170.03740	0.9
174.03185	0.7
186.03215	1.4
198.03249	2.7
200.10730	0.4
213.01999	0.4
214.02740	7.9
226.02765	0.7
226.99965	0.4
242.02217	3.8
245.22729	0.4
269.00903	5.6
270.01678	3.3
281.01093	0.4
297.00449	7.9
298.01215	100.0
298.98669	0.3
299.01541	8.2
313.03577	69.1
314.03940	6.9
321.06900	0.4
330.00070	2.4
357.02686	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	357.0256
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
51.87634	0.4
59.01387	0.6
66.46966	0.4
70.18739	0.5
70.19081	1.4
78.84866	0.4
106.63858	0.5
121.02977	1.0
143.01424	0.8
159.00923	0.7
171.00902	3.4
185.11835	0.4
187.00409	0.7
199.00388	3.6
213.99216	0.9
214.99854	5.8
225.99181	1.2
226.99818	3.9
241.98671	0.5
242.02324	0.6
242.99298	3.2
254.99333	3.4
257.19064	0.6
269.98117	1.2
270.98828	5.2
296.96774	0.8
298.98343	26.3
299.98776	2.4
313.00040	1.4
326.97839	100.0
327.98166	8.3
340.99313	1.3
342.00177	40.1
343.00400	3.3
357.02527	33.4
357.26465	6.4
358.02814	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	357.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27830	0.5
62.67811	0.5
64.98212	0.6
69.28838	4.3
75.10452	0.5
76.34820	0.8
119.21403	0.5
133.92877	0.6
145.03023	0.5
177.01929	0.7
185.67366	0.5
186.03157	1.6
198.03175	2.4
214.02727	8.3
226.02734	0.6
237.07339	0.6
237.15295	0.6
242.02171	3.7
269.00958	6.5
270.01556	2.3
297.00385	8.7
298.01205	100.0
299.01511	8.6
313.03568	77.2
314.03934	7.6
330.00247	2.2
357.02615	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	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	2.9
59.01372	1.8
69.19246	5.6
71.01402	1.0
72.99318	12.0
73.02927	0.5
75.00881	0.8
81.07095	0.8
98.21678	1.4
99.08165	10.8
101.06104	0.6
102.91999	0.6
107.01408	4.2
109.69572	0.5
113.06116	2.3
115.07665	47.2
116.08018	1.5
125.02462	22.8
127.60466	0.6
129.05600	22.6
130.05957	0.9
130.08736	1.1
141.27693	0.7
143.07166	17.5
144.07491	1.0
151.07645	1.3
159.06627	2.4
161.08298	0.9
166.37936	0.7
169.01448	25.1
169.46117	0.6
170.01768	1.1
195.06674	1.8
205.07201	100.0
206.07545	4.8
246.36444	0.6
357.21323	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	357.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16395	0.2
50.39681	0.2
57.27011	0.2
61.98833	0.3
69.37975	0.2
70.84236	0.2
71.27035	0.4
78.49081	0.2
83.17884	0.2
83.28029	0.2
94.99692	0.2
95.01411	0.3
95.05034	3.1
97.03007	0.2
108.02204	0.2
109.02984	1.0
123.00923	0.6
123.04532	0.5
124.01717	0.4
125.02451	0.4
132.02182	0.4
133.02983	0.3
134.03749	0.9
135.04532	0.5
137.02501	0.3
138.03233	0.3
138.05620	4.2
139.00346	0.3
149.06120	1.4
151.00410	0.7
151.03996	1.0
152.04823	2.1
159.10222	0.3
160.01680	1.9
161.02428	0.3
161.06116	0.3
163.00395	0.2
175.04010	5.0
176.03548	0.6
177.01961	0.3
177.04271	1.2
179.03522	3.3
180.04298	100.0
181.04659	5.2
192.06700	1.1
194.05838	0.9
195.06644	93.8
196.06993	5.0
314.10352	1.0
339.05334	0.3
357.06381	0.8
357.11951	12.4
358.12445	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	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	3.6
59.01384	67.1
61.81650	1.3
69.87161	1.2
70.42043	1.3
70.42397	3.6
71.01390	34.5
72.99309	5.1
73.02918	1.3
83.01387	2.2
85.02953	8.4
89.01896	1.6
89.02448	29.6
95.01399	3.2
101.02452	20.5
103.05576	2.2
113.02461	10.3
117.03479	3.8
118.04253	1.5
119.03543	14.1
119.05036	29.3
120.05357	1.8
121.02937	2.8
133.02946	1.9
133.06613	3.9
134.03758	8.9
149.06099	4.4
162.03198	2.7
177.05579	100.0
178.05919	6.9
195.06630	35.2
223.98463	1.4
283.98364	1.4
301.03485	1.5
357.02567	16.4
357.11926	79.6
358.02817	2.0
358.12241	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	357.1195
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
65.00304	0.7
69.03015	0.9
69.03415	3.4
81.03470	4.8
83.01395	1.2
85.06590	1.3
87.04519	0.8
95.05035	0.6
100.69889	0.5
107.01414	0.6
107.05146	0.5
109.02934	0.6
109.06598	2.5
111.04522	4.5
124.28604	0.4
125.02441	5.5
127.07665	0.5
127.10077	0.4
133.06587	1.8
135.04579	0.5
136.05283	1.0
137.02408	0.4
145.02998	0.9
147.04471	0.5
149.02441	0.5
151.00372	1.0
151.07661	25.3
152.07982	1.9
153.05582	0.5
161.02507	0.6
163.04008	1.0
165.05589	1.5
169.01480	0.6
173.02393	0.6
177.05598	1.7
189.02049	0.7
190.02811	0.6
191.03552	3.9
193.08566	0.5
195.06638	100.0
196.06978	6.3
203.03497	0.7
209.04543	1.3
235.02609	0.8
237.07732	3.3
247.02458	2.1
273.00223	0.6
335.04279	0.6
357.12054	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	357.1195
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01369	0.4
65.00325	0.6
69.03451	0.2
69.29327	1.5
71.01395	0.4
74.48399	0.2
81.03468	4.7
83.01391	0.8
85.06597	1.4
87.04526	1.0
88.89441	0.2
91.01880	0.2
91.95583	0.2
93.03477	0.4
95.05023	0.4
97.02955	0.6
107.01414	0.6
107.05080	0.2
108.02237	0.2
109.02954	0.4
109.06603	2.8
111.04532	4.6
111.05253	0.4
113.06098	0.4
121.02962	0.5
122.03767	0.3
123.04568	0.3
123.32004	0.2
124.01673	0.4
125.02470	4.2
127.07655	0.8
133.06593	0.9
136.05344	1.1
139.04030	0.3
145.90495	0.2
149.02455	0.9
151.00388	0.8
151.07660	37.3
152.01169	0.7
152.08014	2.3
153.05608	0.4
163.07643	0.3
165.05612	0.5
167.07265	0.2
175.00368	0.5
177.05612	1.1
179.07144	0.8
191.07220	1.3
194.05927	0.4
195.06639	100.0
196.06993	5.5
201.05614	1.2
202.38625	0.2
207.06660	0.8
208.07487	0.5
209.08229	3.0
216.62695	0.2
219.06647	23.7
220.06995	1.8
221.08116	0.4
237.07697	10.0
238.08023	0.7
249.07684	3.4
250.07980	0.4
261.07657	0.5
267.46661	0.2
279.08521	0.2
297.09818	0.6
298.00922	0.2
357.02649	1.1
357.11923	5.4
358.12228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1196
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
58.00607	1.0
59.01382	33.1
66.97182	0.7
71.01388	19.7
71.26766	0.9
72.99301	1.8
73.02964	0.8
83.01398	2.6
83.96552	0.8
85.02960	4.3
86.93498	0.7
89.02457	18.4
95.01390	1.2
97.02915	0.8
101.02449	11.4
108.02171	1.1
109.02958	1.6
113.02463	7.1
119.03500	9.0
121.02963	0.9
123.00878	1.2
123.04519	1.9
125.02448	2.7
134.03749	2.1
135.04631	0.9
140.01038	0.7
149.04509	0.8
151.04022	4.7
161.02486	2.1
162.03241	67.7
163.03726	3.8
169.01439	1.6
177.05582	100.0
178.05951	6.3
179.03531	0.8
180.04279	2.6
195.06656	10.6
225.91943	0.8
248.18546	0.8
289.07346	3.5
357.12085	0.9
357.21588	1.1
358.09195	1.2
381.79099	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	357.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16459	1.1
59.01133	1.6
59.01386	21.3
71.01393	14.8
81.03462	2.0
83.01365	1.6
85.02959	3.9
87.00862	1.2
89.02444	10.9
95.05011	1.8
96.48748	1.1
97.02982	1.4
98.13240	1.2
99.04485	1.2
101.02448	5.5
105.07109	4.0
107.05062	1.6
107.08681	14.7
108.09018	1.1
113.02484	5.8
119.03518	3.0
125.02540	2.7
130.08757	2.0
131.08725	3.8
133.06584	2.4
135.04601	1.4
135.08136	1.4
136.01680	4.3
139.03986	2.1
149.09694	3.3
151.03960	6.7
151.07663	38.2
152.07959	2.9
162.03195	1.3
175.07603	1.9
193.08661	1.8
195.06644	100.0
196.07069	6.2
219.02902	1.2
225.81696	1.2
237.07724	3.7
247.02432	1.3
302.53210	1.3
357.11932	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	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
62.37051	1.8
65.71107	1.6
70.90184	4.7
71.01384	6.5
73.02959	1.9
75.68452	1.5
77.04114	1.8
85.02963	5.4
88.71579	2.0
92.75632	1.7
101.02446	2.4
101.96989	2.0
113.02450	3.2
154.95013	2.0
161.04581	4.5
164.55331	1.8
222.32985	2.0
268.11014	2.0
357.13406	1.9
357.26532	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27255	1.5
59.01387	100.0
71.01386	8.9
72.19949	1.8
83.01405	1.8
85.02979	3.8
94.46158	2.1
98.21726	4.2
113.02516	1.8
146.37608	1.8
161.04602	1.9
190.84581	1.8
196.33505	1.6
197.09590	1.9
228.74274	2.2
357.26587	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	357.2651
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
52.22611	2.3
56.97050	2.4
57.03450	18.3
58.00598	5.4
59.01381	7.2
62.11612	2.2
69.03442	4.4
71.01381	7.1
71.05018	8.4
73.02955	37.9
81.07072	3.3
83.05023	4.7
87.04516	11.1
93.07109	8.4
95.05017	4.2
97.06601	9.7
103.68471	2.3
107.07679	3.1
111.08187	8.3
113.09754	5.3
121.10274	3.9
123.08147	7.5
125.02455	4.1
125.09741	2.5
127.11295	8.5
135.11777	6.9
137.09749	5.1
139.07707	3.1
139.11255	6.9
149.09711	4.5
151.11255	4.3
153.12851	6.1
155.10774	3.8
157.12361	10.6
165.09291	2.8
165.12912	3.2
167.10803	4.1
169.01443	3.1
181.12354	5.6
183.13959	3.7
185.11896	4.5
186.12617	3.5
187.13400	6.0
194.96033	3.6
195.13997	2.6
199.13446	8.1
201.14954	10.1
220.67458	2.4
223.20457	2.4
227.16573	10.4
235.20628	2.6
239.16592	5.1
247.20683	6.6
263.20197	7.6
265.21844	3.4
277.21503	4.3
292.29169	2.8
295.22784	3.5
297.24359	46.8
298.24713	6.0
309.24393	31.6
319.22809	3.6
321.24374	58.2
322.24850	5.6
327.25436	3.3
339.25525	11.9
357.26498	100.0
358.26907	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	357.265
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.78931	0.3
52.27054	0.2
57.03443	0.7
57.32488	0.3
59.01375	0.3
59.05429	0.3
70.60719	0.7
98.03925	0.3
109.02945	0.4
121.02960	0.5
139.11296	0.6
141.12798	0.6
180.19670	0.3
185.11848	4.5
186.12141	0.5
222.44426	0.3
297.24341	2.8
309.24405	2.2
311.26019	0.6
321.24283	0.6
325.23712	1.4
325.50266	0.3
327.25421	18.3
328.25735	2.5
339.25378	4.0
340.25656	0.5
351.22733	0.3
352.10629	0.3
355.24927	1.4
357.26483	100.0
358.26834	11.6
358.31326	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	358.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	58.0
69.23914	100.0
69.24329	55.4
72.04551	19.2
83.58141	19.6
97.47089	18.7
98.21797	39.8
111.02390	20.5
151.74927	21.3
235.65765	22.8
284.45026	23.4
355.75970	21.8
359.23938	34.6
359.28027	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77490	1.5
63.62156	1.4
66.42610	1.5
87.84516	1.4
96.84151	1.6
98.22269	1.7
132.02174	2.4
144.02165	1.6
148.01659	2.1
160.01680	6.1
172.01692	2.7
176.01195	5.3
187.00307	1.5
188.01173	3.9
194.42340	1.4
200.01086	2.7
204.00635	4.3
214.99860	2.1
216.00639	13.1
230.99403	3.1
232.00032	3.9
244.00078	3.1
248.58563	1.6
258.98785	2.0
259.99454	5.1
285.97491	3.4
286.98248	3.8
287.99078	2.7
313.97113	4.9
314.97815	8.2
315.98593	20.3
316.98972	1.8
326.97678	2.1
328.99371	2.6
342.97357	11.2
343.98117	100.0
344.98441	12.1
359.00470	64.2
359.04022	2.1
360.00702	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	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73960	0.8
53.33407	0.9
57.90354	0.9
59.01384	83.8
60.01725	1.5
61.98839	0.9
66.48525	0.8
69.31046	6.7
72.99319	2.1
73.02982	1.7
75.47411	0.9
90.97057	1.1
92.65732	0.9
98.22495	2.0
117.00465	1.6
132.98174	1.6
134.97089	1.2
156.99947	1.1
157.03609	2.2
159.01482	3.1
174.99274	21.1
175.02492	1.4
201.02574	23.9
202.02766	2.2
203.02202	1.6
215.04152	1.4
217.00322	100.0
218.00658	3.7
232.98569	1.6
239.06369	0.9
251.09789	0.8
257.83020	0.9
259.01465	1.2
273.01819	1.6
274.99677	8.4
275.99799	2.7
276.98389	1.3
289.60507	1.1
298.99619	1.1
317.00674	11.2
318.00858	2.5
359.01675	23.3
360.01920	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	359.041
Annotation	3,3',4-Tri-O-methylflavellagic acid
Peak:m/z	Relative Intensity
85.19746	1.5
125.02462	35.8
162.89256	2.0
169.01454	43.6
229.01480	2.8
235.81625	1.6
245.00969	2.4
257.00958	2.1
270.98575	1.8
282.99222	1.8
285.00494	3.9
285.97543	32.3
286.98215	2.1
299.99237	4.4
300.99948	17.9
312.99835	2.9
313.97098	62.8
314.97504	5.8
315.01453	6.2
318.34891	1.7
324.99939	3.1
326.00766	2.0
327.98904	4.2
328.99414	97.6
329.99744	8.6
343.00970	10.4
343.97525	3.4
344.01764	76.1
345.02139	7.5
359.04114	100.0
359.14938	14.6
360.04504	11.7
360.15225	2.4
374.41507	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	359.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04255	0.7
73.98468	0.7
89.11446	0.8
92.31750	0.8
185.99507	1.0
201.99094	2.3
213.99097	1.9
229.01422	1.1
229.98602	1.9
257.98083	1.0
261.82092	0.8
270.98880	1.8
285.97565	35.3
286.97952	2.6
300.99890	12.6
302.30713	0.8
313.23312	1.0
313.93268	1.2
313.97079	75.0
314.97394	6.3
328.99411	98.2
329.99734	7.6
344.01758	100.0
345.02008	8.1
359.04123	42.6
359.08694	1.4
359.28085	17.7
360.04730	4.4
360.28391	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	359.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
59.01365	1.5
62.65646	0.4
63.02397	0.5
65.00319	2.1
67.01882	1.8
68.99812	3.3
69.03466	0.5
71.01353	0.6
80.67404	0.5
81.03458	1.7
83.01395	16.3
85.02964	1.3
90.99823	0.5
97.02933	0.9
97.13291	0.5
101.02466	0.6
107.01384	3.2
107.32914	0.4
109.02961	7.8
111.00895	1.2
111.04401	0.5
121.02957	0.6
123.04549	0.7
125.02460	42.3
126.02811	1.0
133.02933	0.7
135.04524	6.9
136.01714	0.6
137.02400	0.6
139.04060	0.6
140.01199	0.6
149.02498	3.0
151.00389	15.4
151.03984	1.5
153.01955	100.0
154.02287	4.0
161.04597	0.7
167.03510	1.5
169.01485	1.3
177.01900	2.8
178.99867	3.4
179.05730	0.6
195.03047	2.1
197.00960	0.7
197.04578	1.1
287.94455	0.5
297.09799	0.9
315.07281	7.3
341.05310	1.5
359.06210	6.7
360.06393	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	359.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52582	0.6
57.03449	3.1
57.60347	0.7
59.01118	0.6
59.01379	3.4
65.00327	2.6
66.03485	0.9
67.01889	1.9
68.99825	2.6
71.01374	3.0
71.25404	0.8
72.99307	0.8
80.44676	0.6
81.03454	1.6
83.01393	17.7
85.02950	1.8
87.00868	1.0
88.98808	1.5
89.02477	1.1
93.03465	0.6
94.02979	1.2
95.01421	1.1
97.02974	0.9
101.02441	1.7
107.01414	3.3
109.02956	7.1
109.80334	0.8
111.00935	1.2
112.61250	0.6
113.02475	0.9
123.00907	6.7
123.04543	0.8
124.04053	1.9
125.02461	40.0
126.02793	1.4
128.34334	0.7
131.08293	1.9
135.00893	1.0
135.04556	3.1
138.01981	3.6
138.03247	7.1
146.44873	0.7
146.93428	2.3
149.02478	3.4
151.00374	14.6
152.01166	0.8
153.01956	100.0
153.05479	4.6
154.02321	3.4
166.99875	1.8
167.03508	1.6
168.00539	0.7
169.01347	0.7
173.10431	1.4
177.01917	2.2
178.99901	4.2
182.02229	6.2
183.02649	0.7
195.03000	2.1
196.05806	1.3
197.00952	0.9
197.04561	15.7
198.04875	1.4
201.02423	0.8
217.00356	2.2
257.07828	2.4
285.06677	1.0
287.07614	0.7
315.07251	7.7
341.05432	1.1
344.79126	0.7
359.06213	7.3
359.10541	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	359.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.6
59.01378	2.7
60.12909	0.5
65.00327	2.4
67.01885	1.9
68.99830	3.9
69.13610	3.3
69.14021	1.2
71.01388	0.9
81.03450	1.9
83.01398	16.1
84.01698	0.6
85.03010	0.6
95.05090	0.7
97.02955	0.7
107.01387	4.0
109.02951	7.3
111.00887	1.4
113.02417	0.5
114.60486	0.5
123.00899	1.8
124.04028	1.6
124.36131	0.5
125.02457	40.6
126.02821	1.4
135.00983	0.8
135.04530	1.5
137.02423	0.6
138.03282	1.3
144.04565	0.7
149.02432	3.2
151.00372	17.3
153.01952	100.0
154.02299	3.7
166.99835	0.6
167.03534	1.6
177.01936	2.9
178.99876	3.5
182.02217	1.2
195.03033	2.1
197.04544	3.4
217.00235	1.7
223.55888	0.6
257.07803	2.1
281.18692	0.6
315.07239	7.1
316.07440	1.1
341.05228	1.1
348.13849	0.8
359.06268	8.3
359.10681	1.7
360.06567	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	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07954	0.5
58.16181	0.6
59.01379	2.2
62.62577	0.5
67.38007	0.5
68.48470	0.5
68.90482	0.6
71.26176	1.0
95.01430	0.6
110.00115	0.9
111.00908	1.9
123.00900	5.1
135.04515	1.0
137.02441	1.2
138.03265	4.7
139.00395	6.3
140.01175	87.4
141.01451	2.8
145.03000	0.7
149.02478	0.7
153.01970	2.1
153.05586	1.6
154.02779	1.6
155.03523	100.0
156.03842	3.6
163.00397	0.8
166.99870	1.1
171.33409	0.5
179.05650	0.7
182.02184	3.3
193.01404	1.6
197.04575	9.1
203.03563	0.8
204.04303	2.0
215.48788	0.6
237.00262	0.6
271.01999	0.6
271.04691	0.8
299.07721	1.5
317.08777	1.0
359.00272	1.8
359.09891	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	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
58.52419	0.2
59.01376	0.8
59.27537	0.2
60.42546	0.2
67.01887	0.2
67.15929	0.2
67.52794	0.2
69.09299	0.9
69.09729	0.8
71.01383	1.3
72.99327	0.2
73.02961	0.3
73.61457	0.2
81.03461	0.2
83.01410	0.3
84.98526	0.2
85.02958	0.9
89.02461	0.2
90.83581	0.2
92.39380	0.2
93.03448	0.2
95.01396	3.6
98.21798	0.3
101.02458	0.4
109.02984	0.4
113.02496	0.2
119.80920	0.2
123.00896	45.8
124.01209	1.5
125.02444	0.2
130.96693	0.2
137.02461	1.0
138.03241	55.1
139.00348	0.3
139.03560	2.1
139.12790	0.2
144.04660	0.2
144.50334	0.2
153.05585	19.8
154.05978	1.2
159.82715	0.2
165.01961	0.3
166.99869	12.8
168.00175	0.6
181.01451	0.5
182.02225	41.3
182.27049	0.2
183.02577	1.9
196.03806	0.3
197.04561	100.0
198.04887	6.5
202.94595	0.2
239.05666	0.6
306.15573	0.2
359.05698	0.3
359.09763	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	359.0988
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
59.01357	1.1
59.43651	0.5
68.96249	1.4
68.96661	5.0
71.01377	0.9
85.02976	1.0
95.01383	3.0
98.21783	1.3
123.00901	45.3
124.01219	1.3
124.10554	0.8
137.02493	0.7
138.03246	52.9
139.03586	1.9
153.05591	18.3
154.05928	0.8
158.22697	0.6
166.99876	12.7
182.02231	41.5
183.02519	2.3
197.04568	100.0
198.04889	6.0
281.35953	0.6
350.24850	0.7
359.09988	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	359.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
58.00596	4.5
59.01387	93.6
70.75885	2.3
70.76196	2.6
71.01391	55.9
72.99304	5.9
73.02963	2.9
83.01395	3.5
85.02962	13.2
87.00853	3.5
89.02457	42.4
95.01400	5.5
97.02882	1.7
101.02455	27.2
109.02947	1.9
113.02470	22.2
119.03540	14.2
121.03024	8.6
122.03779	1.7
123.00931	8.7
125.02451	5.1
137.02444	11.1
138.03233	8.1
139.00371	5.1
139.04050	5.0
153.01895	3.4
153.05591	14.2
155.03513	2.0
165.01898	3.2
166.99933	2.6
169.01422	2.8
172.07480	1.7
180.04262	2.3
180.38576	1.7
181.01404	9.4
182.02251	13.2
182.05821	4.6
183.02982	1.6
195.06694	3.8
196.03763	6.8
197.04575	71.7
197.08165	9.8
198.04922	3.3
211.06129	12.7
215.69939	1.8
217.00346	2.7
224.03271	5.7
239.05617	40.1
240.05899	2.6
250.04805	1.8
269.06729	3.9
299.07825	8.1
327.10947	4.7
357.44907	2.0
359.09851	100.0
359.13416	6.1
360.10263	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	359.099
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01872	2.6
57.03467	5.6
58.00601	2.3
59.01385	100.0
61.91891	1.9
63.71862	2.1
67.04549	1.9
67.62147	2.1
68.95800	24.9
68.99841	2.5
71.01389	66.7
72.99316	8.5
73.02949	7.6
76.50836	2.1
78.95916	3.7
83.01385	13.3
85.02966	14.1
87.00888	8.4
88.98825	4.2
89.02454	64.5
92.95998	2.3
95.01405	7.9
99.00908	3.2
101.02451	47.8
107.01472	2.5
109.02959	20.1
113.02477	27.5
119.03513	30.0
123.00900	27.2
125.02470	17.2
127.00411	4.7
131.08238	5.0
134.03743	2.2
135.04507	17.2
137.02539	2.5
138.03244	32.6
143.03525	4.7
146.93425	6.8
151.00435	3.2
153.01965	39.4
153.05577	27.5
161.04472	2.8
166.99889	7.5
169.01373	6.0
170.34763	2.1
179.03516	3.2
179.05594	2.5
182.02216	22.1
187.07117	2.3
196.05789	3.6
197.04556	57.6
198.04932	3.6
207.01436	4.1
217.00490	5.1
284.29187	2.6
285.06949	6.7
315.07330	5.7
359.05875	5.6
359.09460	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97173	1.8
66.48840	1.9
69.20231	14.5
71.16108	2.2
78.33993	1.8
93.07172	2.4
98.21938	6.3
105.53053	2.3
117.69843	2.4
121.02973	10.7
122.03812	2.1
125.02449	3.8
137.02463	5.6
147.04558	5.9
149.02542	2.8
150.03265	10.7
150.29617	2.1
158.03714	4.2
159.04514	20.2
160.05313	56.5
161.06096	18.1
163.04063	10.6
164.04758	6.5
169.01442	4.6
173.06131	7.4
175.04099	3.5
175.07671	43.9
176.04855	2.9
177.05565	12.2
178.06331	6.9
191.07188	2.7
193.08601	4.9
202.44412	2.1
205.08739	2.0
229.18079	5.7
312.97604	2.4
329.13977	100.0
330.14328	15.7
359.11386	2.5
359.15359	4.3
359.20871	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	359.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.0
58.00581	3.4
59.01365	4.2
69.03442	2.8
69.35342	1.9
70.77712	5.1
71.01354	1.8
71.05022	2.5
73.02950	40.4
83.05029	1.9
87.04515	2.6
97.06602	2.0
111.08163	3.9
113.09730	12.9
121.10246	6.3
123.08158	7.7
125.02400	3.3
125.09724	2.2
127.11296	4.6
135.11797	3.9
137.09731	4.6
139.11337	3.3
151.11314	2.4
153.09248	12.8
153.12915	3.8
155.10796	7.3
157.12241	3.6
162.23479	1.7
167.10782	14.0
169.01442	6.7
169.12357	4.7
181.12395	4.0
183.13962	2.3
187.11728	4.0
187.13416	78.2
188.13786	3.4
201.14952	18.3
217.00349	2.3
225.32704	1.9
231.21045	2.1
233.58701	1.9
250.19948	1.7
277.21677	2.0
295.23071	2.0
297.24341	3.5
299.25912	11.2
303.33075	1.7
323.25906	2.7
329.26810	3.4
337.07434	2.3
341.26990	5.7
357.26553	4.3
359.12289	4.2
359.24442	5.8
359.28073	100.0
360.13126	6.2
360.28296	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	360.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46471	1.9
59.01395	17.7
66.03168	3.3
66.03494	51.8
67.01894	4.8
68.99838	1.9
69.03465	1.9
69.70485	6.3
71.01385	16.3
72.99302	4.4
73.02967	2.6
75.00886	15.8
76.12865	1.7
79.81477	1.7
85.02964	12.3
87.00880	5.5
95.01432	2.3
99.00902	9.2
105.37476	1.7
110.02489	100.0
111.00897	9.5
111.02814	2.7
113.02483	13.0
115.00397	1.9
116.64551	1.7
123.00901	4.1
124.01228	2.6
149.17262	1.8
184.06157	2.4
197.04660	3.4
198.04922	4.9
200.57353	1.9
223.37477	1.8
226.27051	1.8
231.05066	2.9
249.06183	40.5
267.07306	5.0
342.08417	2.8
360.09409	59.2
361.10129	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	361.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03455	7.6
59.01386	6.6
70.46480	2.4
70.46835	1.4
71.01389	11.7
72.99306	1.9
75.00866	2.2
83.01413	1.4
84.02177	2.4
85.02957	61.0
86.03300	1.6
87.00906	1.6
89.02453	4.0
101.63893	0.9
103.00378	1.7
111.00890	3.8
114.97089	0.8
115.00430	1.4
125.02459	3.1
129.01958	5.4
133.01453	5.2
143.66676	0.9
145.44363	0.9
147.03003	4.0
169.01437	4.1
173.00929	1.8
191.01990	22.1
209.03035	100.0
210.03375	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	361.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.6
59.01375	5.6
71.01380	13.1
71.25512	1.9
72.99310	3.6
75.00841	1.8
78.01935	1.4
78.95908	4.9
84.02196	1.9
85.02956	65.4
86.03295	1.7
87.00868	2.0
88.98813	3.9
89.02462	3.8
95.51664	1.5
96.96922	1.5
97.26130	1.5
105.10458	1.4
111.00896	2.4
118.99325	1.4
125.02439	6.2
129.01941	5.6
133.01454	4.3
147.03009	3.0
160.91600	1.6
165.54901	1.3
169.01428	4.7
172.96712	3.2
181.55908	1.4
191.02000	24.5
198.98373	2.3
209.03041	100.0
210.03394	3.6
217.30542	1.4
249.06219	1.5
311.21448	1.6
320.13461	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	361.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01144	1.5
59.01385	19.8
60.99284	1.9
69.03445	1.5
70.13335	2.5
70.13731	1.8
71.01392	9.2
72.99304	1.5
81.03493	1.1
83.01370	3.2
85.02946	3.0
87.70786	1.1
88.98809	12.4
89.02457	7.1
96.96015	8.6
97.02967	1.3
101.02457	12.4
107.01400	11.1
111.00846	2.7
113.02424	2.4
116.39415	1.3
119.03489	3.5
123.00880	4.9
123.98267	1.7
124.01646	2.7
125.02456	58.4
126.02765	3.0
130.24829	1.2
136.98828	1.3
137.02409	3.4
139.00340	2.8
139.04034	1.5
140.01155	3.5
149.02431	1.3
151.00357	2.6
165.01904	1.9
166.02837	2.7
167.03531	2.9
168.00626	10.0
169.01439	100.0
170.01723	4.9
181.05058	3.3
183.02992	2.5
186.95587	2.2
193.01367	2.7
193.26620	1.2
209.03085	1.3
211.02513	18.6
212.03568	9.1
229.06274	5.8
241.03514	6.5
249.06122	1.4
253.03584	2.6
254.04695	10.0
271.04651	67.1
271.07281	7.1
272.04959	5.1
273.05197	1.8
276.70590	1.1
301.04883	3.0
343.06635	2.3
361.07745	44.2
362.08191	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	361.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01144	1.5
59.01385	19.8
60.99284	1.9
69.03445	1.5
70.13335	2.5
70.13731	1.8
71.01392	9.2
72.99304	1.5
81.03493	1.1
83.01370	3.2
85.02946	3.0
87.70786	1.1
88.98809	12.4
89.02457	7.1
96.96015	8.6
97.02967	1.3
101.02457	12.4
107.01400	11.1
111.00846	2.7
113.02424	2.4
116.39415	1.3
119.03489	3.5
123.00880	4.9
123.98267	1.7
124.01646	2.7
125.02456	58.4
126.02765	3.0
130.24829	1.2
136.98828	1.3
137.02409	3.4
139.00340	2.8
139.04034	1.5
140.01155	3.5
149.02431	1.3
151.00357	2.6
165.01904	1.9
166.02837	2.7
167.03531	2.9
168.00626	10.0
169.01439	100.0
170.01723	4.9
181.05058	3.3
183.02992	2.5
186.95587	2.2
193.01367	2.7
193.26620	1.2
209.03085	1.3
211.02513	18.6
212.03568	9.1
229.06274	5.8
241.03514	6.5
249.06122	1.4
253.03584	2.6
254.04695	10.0
271.04651	67.1
271.07281	7.1
272.04959	5.1
273.05197	1.8
276.70590	1.1
301.04883	3.0
343.06635	2.3
361.07745	44.2
362.08191	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	361.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01646	1.5
59.01382	3.4
61.91515	1.6
61.98836	100.0
69.54729	9.4
76.57397	1.4
86.13335	1.4
90.86188	1.4
107.54902	1.6
110.03214	1.4
135.04526	10.5
137.09773	2.8
138.88550	1.5
155.10822	3.8
161.02461	2.4
199.09805	5.3
270.84402	1.7
298.10889	34.2
299.11304	2.9
319.21140	2.5
346.13538	2.6
361.15857	3.8
361.22412	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	361.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.54426	2.2
69.54830	1.6
71.46181	0.6
71.78174	0.8
90.12328	0.7
98.21831	0.8
101.02448	0.8
124.01436	0.8
135.04575	1.8
142.51427	0.6
175.63023	0.7
188.29233	0.6
243.96811	0.6
266.38364	0.7
298.11023	3.3
361.22495	0.8
362.31604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88289	4.4
59.01391	46.8
63.92105	3.6
71.01381	11.0
72.97543	16.9
85.02959	7.1
88.98817	10.4
95.01399	5.3
96.96023	5.9
99.12784	3.8
101.02464	9.7
108.98033	3.9
111.00851	5.1
113.02459	9.7
121.02953	5.3
123.00901	100.0
124.01691	14.5
125.02476	14.5
133.96805	3.7
134.97583	5.7
137.02487	8.8
138.03241	67.8
139.04030	26.5
144.48358	3.9
146.24319	3.9
153.01949	11.7
159.74005	4.3
161.04634	19.3
169.01434	32.4
178.08534	4.1
181.05066	11.4
183.02919	5.0
183.39943	4.1
196.60362	4.3
211.02516	5.8
212.03494	11.0
215.62589	4.1
229.06161	7.5
237.21089	4.3
254.04559	10.7
271.04666	12.6
271.07303	9.0
301.09369	25.3
361.07275	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	361.1508
Annotation	Gibboside
Peak:m/z	Relative Intensity
53.40670	0.8
59.01375	3.2
61.91848	0.7
71.01367	1.1
73.02934	2.8
79.04030	0.8
84.56413	0.8
85.02943	2.2
85.90470	0.7
87.04536	3.6
92.99302	0.7
101.02457	1.8
111.00819	0.7
113.02465	3.1
117.03445	1.1
123.00870	1.1
131.01375	0.8
133.02985	1.3
135.08202	1.8
137.09729	11.3
139.11275	0.9
145.02963	1.0
155.10793	100.0
156.10057	0.8
156.11101	5.2
161.02460	1.2
163.04138	0.9
169.12296	1.3
175.04005	1.1
181.08711	1.2
185.11925	0.9
189.01933	1.4
191.03470	1.5
199.09773	98.0
200.10109	7.0
212.94975	0.8
213.11432	1.4
217.01480	1.2
219.02840	0.8
233.00874	1.0
241.10785	8.0
245.00871	0.8
247.02534	2.2
261.00452	1.1
273.00317	0.9
275.02206	0.9
300.99899	1.1
301.13028	1.3
310.48694	0.8
319.21274	1.3
326.03635	0.9
348.03003	1.6
361.14993	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	361.1658
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
54.73650	0.3
57.03440	1.5
63.42588	0.3
69.05515	1.7
69.05936	1.6
73.02914	0.4
74.74751	0.3
81.03469	0.8
109.02991	0.4
115.03435	0.3
121.06548	0.4
131.05032	1.0
136.99640	0.3
147.08110	0.7
169.01460	0.6
185.09712	0.8
186.10619	0.6
187.11270	3.5
198.99797	0.5
203.14511	0.5
211.14923	1.3
215.85153	0.4
227.14449	0.4
229.15993	0.5
237.12823	1.3
239.14461	0.9
253.15988	0.8
257.15579	0.6
261.14841	0.4
269.15921	0.4
271.17148	1.1
273.18600	6.3
274.19006	0.6
301.14499	7.6
302.14828	1.1
311.90906	0.4
317.17633	7.3
318.18008	1.1
343.15540	5.4
344.15958	0.5
361.16583	100.0
362.16916	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	361.1659
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
52.03048	0.4
57.03439	0.6
59.01358	0.9
59.58879	0.4
69.03449	1.5
69.15870	3.9
69.19310	0.4
71.01393	0.5
79.05525	0.8
90.41905	0.4
95.05033	0.6
98.22548	0.9
101.02437	0.7
108.02184	0.5
111.00829	0.5
119.08675	0.6
125.02514	0.5
133.06606	0.9
147.08168	1.2
149.09738	0.8
161.09778	0.5
166.98068	0.7
173.06081	7.3
186.03154	0.4
193.80856	0.4
209.06822	0.5
219.09756	0.4
227.14485	0.9
233.15485	0.5
250.84969	0.4
250.87671	0.4
253.15923	1.3
255.17569	1.3
258.01892	0.4
271.17099	3.2
273.18613	8.3
274.19165	0.6
287.09396	0.6
298.82095	0.5
317.02972	1.4
317.06412	0.7
317.17575	4.7
318.17911	0.6
331.08340	1.0
343.15530	10.3
344.15964	1.0
361.16586	100.0
362.16937	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	361.1661
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
50.79721	0.6
57.03439	0.8
59.01357	0.8
62.07986	0.6
69.18051	5.1
70.68664	0.7
71.05019	1.7
76.15879	0.6
83.05036	4.3
107.05038	1.1
109.06577	1.1
119.08694	0.7
133.06602	2.5
140.57303	0.6
173.09807	0.8
174.08617	0.6
175.11270	1.3
177.12839	1.3
185.09688	0.7
202.98781	1.3
203.10794	1.0
203.14363	2.9
206.87122	0.6
229.12305	3.5
246.98764	1.1
253.16135	0.7
255.17516	1.5
273.18582	7.3
299.16608	1.1
317.17603	6.1
318.17715	1.0
330.97272	3.9
343.15567	1.5
345.99673	2.8
356.94394	0.6
361.16577	100.0
362.16861	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	361.1663
Annotation	Sauriol A
Peak:m/z	Relative Intensity
55.01877	0.9
59.01388	8.4
61.98814	0.7
69.80415	1.8
69.80809	1.5
71.01386	7.3
73.02936	2.6
83.01399	2.3
83.39075	0.6
85.02959	4.7
87.00908	0.8
89.02448	1.9
93.03470	4.8
95.01439	1.6
96.06927	0.6
98.21922	1.0
98.22446	0.9
99.00894	1.6
101.02465	5.1
105.76311	0.9
108.02189	1.9
109.02966	10.3
111.00894	0.9
113.02473	3.1
119.05070	1.3
121.02968	33.9
122.03770	20.5
123.04559	4.6
124.01684	3.4
125.02454	1.3
129.03506	1.6
134.03789	1.7
135.04538	2.9
136.05281	2.1
137.02470	6.7
145.78497	0.8
146.03732	2.1
147.04544	14.5
148.05432	1.5
149.06105	2.7
151.03969	0.7
154.02762	5.7
161.06116	3.6
162.06752	0.7
163.03990	1.3
164.04839	1.2
165.05585	45.2
166.05933	1.8
168.04356	0.9
169.01427	0.7
173.06117	1.6
175.07729	0.7
178.06297	1.6
179.07146	17.0
191.07230	1.0
192.40141	0.7
199.13411	3.3
209.08218	1.9
223.09718	1.4
245.58084	0.6
247.02553	1.1
254.09488	0.6
301.10663	1.4
312.22610	0.7
313.14346	1.7
315.12463	4.5
316.12833	1.4
346.14215	15.3
347.14996	1.3
358.25562	0.8
361.16086	100.0
362.16531	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37918	0.5
55.01883	1.9
57.03447	1.8
58.00600	0.9
59.01093	1.1
59.01387	17.6
70.07510	1.1
70.07896	1.6
71.01388	16.0
72.99321	0.9
73.02950	4.7
83.01413	3.6
83.01830	0.5
85.02953	8.2
86.00110	0.9
87.00906	0.7
89.02446	3.7
93.03456	0.5
95.01384	1.4
99.00905	1.1
99.62878	0.6
101.02459	11.2
109.02964	1.3
111.00897	0.8
113.02460	3.9
119.03525	1.3
119.38208	0.5
121.02980	3.9
122.03778	3.0
124.01655	0.7
137.02475	0.9
139.11333	0.7
147.04582	1.8
161.06071	0.5
165.05557	4.2
179.07208	1.8
181.12376	1.4
199.13380	7.9
209.15556	0.5
315.12415	0.8
343.17886	1.5
346.14307	1.5
361.18851	100.0
362.09521	0.7
362.19391	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	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03445	1.1
58.00597	0.7
59.01387	12.6
60.01707	0.3
61.98814	0.3
69.03443	0.3
69.28070	0.5
69.28478	1.3
69.92421	0.2
71.01389	16.5
72.35818	0.2
72.99294	0.9
73.02950	2.6
73.22903	0.2
79.12182	0.2
83.01393	2.3
85.02961	5.0
86.00108	0.7
87.00887	1.4
89.02450	2.9
91.78967	0.2
95.01403	0.5
96.64668	0.2
97.02910	0.3
99.00893	1.1
101.02457	5.8
111.00893	0.9
113.02462	3.3
119.03511	0.8
124.01681	0.4
125.02425	0.8
139.11307	0.9
153.12856	0.9
173.78336	0.3
181.12399	1.3
199.13416	16.5
200.13742	1.0
204.99088	0.3
211.13431	0.4
241.14497	0.4
253.14619	0.3
343.17642	4.1
361.18695	100.0
362.19034	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	362.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.5
59.01396	1.7
67.01896	2.0
68.18444	1.4
69.14342	3.3
69.14742	8.3
71.01398	3.9
75.59143	1.3
85.02961	21.2
87.00884	32.2
91.26495	1.4
98.21762	2.6
111.00896	100.0
111.03521	1.7
112.01235	2.9
113.35413	1.5
115.00384	6.2
129.01967	3.8
133.01451	9.9
134.93118	1.5
173.00941	4.1
191.02002	88.7
192.02293	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	363.109
Annotation	Inumakilactone A
Peak:m/z	Relative Intensity
57.42755	0.6
61.98820	0.9
65.00314	0.6
67.01884	1.3
67.48270	0.5
69.00879	6.3
69.03465	0.7
69.40434	0.5
72.99299	0.6
81.03469	0.8
83.01391	0.8
95.01413	2.7
98.21817	1.2
107.01405	4.1
110.00081	0.9
111.00896	5.0
119.01447	0.5
123.00891	9.0
123.04488	0.7
124.01694	2.5
125.02464	27.5
126.02797	1.5
127.00382	1.6
135.04509	0.6
136.98801	2.8
137.02345	0.6
139.00375	7.0
139.04025	3.4
140.01212	5.5
151.00363	2.2
151.04008	0.7
153.01894	1.0
163.04028	1.1
164.04831	1.1
165.02023	0.9
166.99921	3.7
167.03612	0.6
168.00687	7.9
169.01445	37.1
170.01761	1.8
173.28554	0.6
182.02155	1.2
183.02991	7.6
187.27264	0.6
193.05205	0.7
195.02995	2.5
197.04573	1.2
220.56796	0.5
247.08430	0.5
274.01004	0.6
277.07263	1.0
301.03656	1.2
305.06613	0.7
318.07336	1.0
319.08020	0.8
330.07309	0.7
331.08279	0.7
333.06122	6.1
347.07776	0.8
348.08490	19.9
349.08966	2.2
363.10876	100.0
364.11261	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	363.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73730	0.2
58.82347	0.2
59.01373	0.6
63.38459	0.2
69.17979	1.2
69.18403	1.1
79.95735	1.4
96.96017	100.0
97.95976	0.3
98.22478	0.4
121.02929	0.3
137.30974	0.2
167.22554	0.3
184.02971	0.3
208.80304	0.3
279.26758	0.2
363.11206	4.7
363.18240	0.5
364.11591	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	363.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.8
57.03447	7.0
58.00607	2.5
59.01389	37.2
65.00311	2.6
67.01917	3.0
67.47382	2.3
68.99832	3.8
69.03464	3.6
71.01390	49.0
71.26581	4.6
72.99313	11.2
73.02932	3.3
75.00884	39.2
83.01406	4.3
83.23930	2.1
85.02959	55.4
86.03268	2.4
87.00893	18.8
89.02466	15.2
91.03990	3.1
93.03459	4.1
95.01382	18.7
97.02955	4.5
99.00888	26.2
101.02442	3.0
101.52879	2.7
103.00381	5.0
107.05063	2.9
109.02964	3.3
111.00890	5.6
113.02465	68.2
113.06098	82.0
113.90742	2.2
114.06415	4.2
115.00410	3.6
117.01963	8.1
117.03448	4.0
119.05070	3.5
123.00906	5.0
125.02451	4.8
129.01935	5.7
131.03496	3.1
133.03014	3.2
137.02463	4.4
145.02988	8.3
147.04523	5.6
152.48767	2.3
159.04558	4.4
161.02472	7.2
163.00383	6.6
163.04037	6.6
164.01169	3.0
169.01430	4.2
173.02513	6.0
175.02620	4.1
175.04080	9.1
177.01923	12.9
188.45593	2.8
189.01950	9.3
190.02762	9.9
191.03532	17.2
201.01924	6.6
203.03499	16.6
205.01422	2.8
205.05116	3.4
205.07140	4.7
217.01448	10.9
218.02237	3.0
219.03047	15.2
221.00882	3.2
221.04642	10.0
229.01434	7.8
230.01955	3.1
231.03001	10.3
231.05083	5.6
235.02509	3.0
245.00978	9.4
247.02502	62.6
249.03992	10.2
249.06212	63.6
250.06561	3.0
257.00882	3.3
267.07254	100.0
268.07660	7.3
273.00543	18.1
274.01022	2.6
275.02005	10.5
291.01544	3.2
293.03220	2.8
300.99835	3.0
349.03955	3.7
355.03915	5.0
363.03796	11.7
363.13049	93.4
363.53555	2.5
364.04355	25.0
364.13437	10.1
364.17493	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	363.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33265	0.5
55.01889	1.0
57.03450	1.5
59.01387	6.1
67.01884	2.1
68.99814	1.2
69.03442	1.1
71.01394	7.4
72.99299	1.5
73.02946	0.8
83.01373	1.6
85.02965	8.5
87.00886	2.5
89.02450	1.9
91.04002	0.8
92.05097	1.1
95.01421	2.2
98.02492	4.3
99.00905	0.7
99.04530	100.0
100.04871	2.4
101.02440	1.5
109.02917	0.7
111.00895	1.6
113.02470	8.7
116.32035	0.5
125.02457	5.5
127.05180	0.5
128.03554	0.7
129.01979	1.5
136.04063	1.7
137.02457	0.9
138.05606	1.2
139.00385	1.6
145.06186	1.8
157.01416	1.2
161.02489	1.0
161.04608	0.7
164.03555	0.8
165.01845	0.6
169.01476	1.3
174.05667	1.2
174.32912	0.6
194.04582	0.6
205.07205	2.1
207.01991	0.5
215.40581	0.6
218.04578	0.6
227.06763	0.9
231.05008	0.7
242.24997	0.5
249.06137	1.2
257.13086	0.9
263.07748	9.0
267.07263	2.0
281.08661	2.8
287.10416	1.7
289.07083	0.6
331.10126	0.8
363.12982	22.4
363.16815	3.8
364.13541	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	363.1816
Annotation	DODECAHYDRO-8''-HYDROXY-1'',2'(5'H)-FURAN-5',5''-[5H-1,4A](METHANOXYMETHANO)NAPHTHALEN]-2,9''-DIONE
Peak:m/z	Relative Intensity
57.03445	0.4
59.01369	1.2
69.03456	0.5
70.90668	0.7
70.90988	0.3
71.01376	0.6
72.99316	0.7
85.02950	0.6
96.95984	0.5
97.06603	1.7
99.04521	0.9
119.08661	0.5
125.02431	1.0
169.01447	0.5
185.17065	0.4
257.19150	0.8
273.18643	0.9
275.20154	0.7
283.07114	0.6
289.07312	0.5
319.19119	4.1
345.17099	5.2
363.18155	100.0
364.18515	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	363.1819
Annotation	Cinncassiol C2
Peak:m/z	Relative Intensity
71.01370	1.4
80.51033	0.8
94.54995	0.8
96.96024	4.7
98.22630	1.8
111.00878	4.0
123.00903	1.1
124.01692	2.2
125.02465	31.6
126.02800	1.5
127.00423	1.7
136.98808	2.9
139.00409	4.1
140.01195	6.5
168.00665	6.7
169.01439	29.8
170.01767	1.4
173.02478	1.0
211.78468	0.8
363.18179	100.0
364.18478	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	363.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42399	13.4
58.69491	14.2
59.01376	38.6
69.00733	100.0
69.01154	44.7
79.35433	13.8
79.95747	19.9
125.02431	15.6
177.12944	13.4
209.60077	13.3
327.21912	78.2
329.02640	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	364.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.5
61.98833	42.2
71.27505	10.1
107.01429	9.7
123.00896	12.6
125.02469	21.7
139.00420	6.2
140.11951	7.8
141.80423	7.1
151.00391	24.1
152.37552	5.9
169.01503	36.7
170.01765	17.0
301.03552	55.2
320.71964	6.6
349.05154	7.1
349.09052	16.1
364.11295	100.0
365.11047	10.9
365.19711	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	364.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20398	0.7
57.60325	0.7
65.01565	0.7
70.02975	2.2
71.01383	1.0
82.02984	1.5
84.04556	16.5
92.05072	36.3
93.05399	0.8
98.02490	100.0
98.22554	2.5
99.00909	1.3
99.02815	2.6
99.05600	0.8
101.07223	1.0
109.04086	3.0
125.02596	0.7
125.03581	1.8
127.05154	12.1
128.03560	15.2
130.06644	12.9
131.05038	1.0
135.04561	0.7
135.06445	0.7
136.04068	20.3
145.06210	48.2
146.06442	1.5
147.04488	1.0
159.04463	0.8
163.03941	1.0
173.07246	3.3
174.03247	0.8
174.05621	18.0
175.04016	1.2
175.05943	1.2
175.08801	1.0
177.01976	1.4
190.02692	1.2
191.03510	1.5
203.03606	1.4
209.05809	0.8
218.04607	19.4
219.04919	1.2
221.04572	1.5
227.04538	1.4
227.06761	25.4
228.07114	1.5
228.96611	0.8
229.01410	1.0
231.02687	0.9
247.02480	6.0
248.02803	1.0
249.04063	1.9
273.00391	1.2
275.02039	1.8
302.11526	1.3
328.03482	0.8
346.10565	2.3
364.04282	2.7
364.11530	19.7
364.16049	1.3
365.11911	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	365.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
69.03468	1.0
71.01398	1.7
72.99323	0.9
79.01891	0.7
79.66683	0.6
79.95733	3.5
80.96524	1.7
85.02945	1.1
89.55959	0.5
96.96019	100.0
97.02953	0.5
98.21731	1.0
107.01370	0.9
108.02166	3.0
109.02958	6.6
118.15347	0.5
122.97594	7.4
125.02507	0.7
135.00870	2.7
150.97081	5.0
151.03348	0.5
152.01202	1.3
152.98604	0.9
153.01961	10.9
160.03963	0.7
199.45221	0.5
200.99271	0.5
210.99200	45.4
211.99524	2.0
228.74831	0.8
229.55315	0.5
275.01932	0.6
285.06235	2.9
321.02805	0.7
347.00775	17.2
348.01147	1.3
365.01834	46.6
366.02130	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	365.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89981	0.3
54.23241	0.4
55.59753	0.3
57.66724	0.3
59.01377	0.6
67.69431	0.4
69.03447	0.8
71.01395	2.2
71.14812	0.4
72.99303	1.3
79.01898	0.4
79.95735	4.2
80.96531	1.9
81.03469	0.5
83.44491	0.4
85.02965	1.5
87.00877	0.9
96.96022	100.0
97.02928	0.6
98.21819	0.9
107.01417	1.1
108.02198	3.0
109.02967	6.9
111.00933	0.6
112.33873	0.3
113.02437	0.9
115.94585	0.4
122.97588	7.8
125.02457	0.4
133.01459	0.4
135.00880	3.0
138.97107	0.4
150.97093	4.8
152.01196	0.9
152.98674	0.9
153.01953	10.8
154.02283	0.5
160.04037	2.4
210.99193	46.4
211.99442	1.6
285.06073	1.9
301.69336	0.4
321.02884	0.9
347.00793	17.3
348.01154	1.4
365.01834	45.5
366.02081	3.1
387.55273	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	365.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84624	0.4
59.01369	1.1
69.03436	0.6
71.01382	1.8
72.99311	0.7
79.95747	3.2
80.96517	1.6
82.79876	0.4
85.02961	1.0
96.96021	100.0
104.38231	0.5
107.01414	1.2
108.02158	2.7
109.02959	6.6
113.02470	0.8
118.19597	0.4
122.97598	8.5
125.02461	0.5
135.00896	2.8
138.97075	0.6
150.97078	4.9
152.01215	0.7
152.98692	0.5
153.01952	10.0
154.02190	0.6
167.39191	0.5
210.99193	48.1
211.99474	1.7
228.66547	0.5
267.16522	0.4
285.06183	1.8
321.02863	0.8
322.03403	0.6
347.00790	19.7
348.01114	1.1
359.98001	0.5
365.01843	51.3
366.02200	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	365.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
71.01391	2.9
71.17530	0.8
71.17886	1.3
72.99306	0.8
75.30526	0.7
79.95753	3.6
80.96540	2.1
85.02954	1.4
94.10548	0.8
96.96026	100.0
102.32576	0.7
107.01398	1.1
108.02198	2.6
109.02976	7.6
113.02470	1.1
122.97580	8.3
125.02434	2.6
134.90508	0.7
135.00912	2.7
150.97107	4.3
152.01184	1.0
153.01959	11.4
160.04034	1.5
180.20079	0.7
210.99205	47.7
211.99562	1.2
285.06195	2.6
347.00818	16.5
365.01840	47.5
366.02139	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	365.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01342	6.2
71.01367	9.8
71.19277	8.3
76.80784	5.6
78.95924	9.4
85.02969	10.3
87.00880	29.1
96.96011	100.0
101.31423	5.5
103.92013	7.5
111.00866	16.8
112.98804	11.0
119.66716	6.2
122.97612	7.2
142.99783	5.5
153.02054	7.1
191.02005	8.7
208.88052	5.7
210.99173	47.4
302.90878	6.7
365.01309	29.4
365.05359	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	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
51.33863	0.4
53.42633	0.4
59.01388	0.8
67.48499	0.5
71.01347	0.5
73.02956	0.7
96.96014	0.6
97.02911	0.4
98.22534	1.3
112.76225	0.4
125.02446	0.7
133.02969	0.5
145.02983	1.5
147.04532	0.9
158.03752	13.6
158.05066	0.7
159.04564	5.2
171.04573	2.6
172.05278	0.4
173.02448	0.8
175.04048	1.2
177.01991	1.0
183.04698	0.5
187.03957	0.5
190.02689	0.5
191.03525	0.6
192.23936	0.5
201.01923	1.3
201.05663	2.4
202.02736	100.0
203.00099	0.8
203.03235	10.4
204.03864	0.8
205.01561	0.5
205.05103	0.5
213.05611	2.8
219.02861	0.7
228.72058	0.5
230.99423	0.9
231.06633	1.3
245.04543	0.7
247.02614	2.2
247.16447	0.5
248.02789	1.4
249.03915	0.5
274.00772	0.7
275.05597	2.1
292.06653	0.5
364.54697	1.3
365.08801	40.2
366.09195	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	365.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41916	0.8
55.01893	0.9
59.01382	4.7
71.01398	4.0
71.26485	1.8
82.02974	1.4
84.04555	0.9
85.02947	2.2
89.02450	1.4
92.05067	43.2
93.05398	1.8
95.01417	1.0
98.02486	92.1
99.00911	4.6
99.02826	2.6
101.02452	2.2
102.05616	34.2
104.29281	0.9
111.00908	0.8
113.02445	2.5
114.99319	0.7
115.07645	3.6
123.00871	0.9
125.02467	0.8
128.03552	100.0
129.03883	2.1
130.06636	11.8
136.03000	1.2
136.04050	25.7
146.04605	66.8
147.04750	1.8
148.07646	1.1
157.12398	1.4
161.02444	0.8
166.05112	1.0
173.02382	0.9
173.07187	2.8
174.05630	16.3
175.03955	1.5
175.05972	0.9
177.01880	1.7
184.06128	1.8
191.03499	2.5
203.03423	2.0
203.12880	2.7
204.03947	1.3
217.01344	1.0
218.04590	14.8
219.02890	1.2
221.04558	1.7
222.01712	1.1
228.05151	25.6
229.01437	0.9
229.05370	1.5
231.02954	1.8
236.05635	2.3
247.02499	5.5
248.02716	3.2
249.04005	1.6
250.04492	1.0
259.49603	0.8
273.00208	1.4
274.00720	1.2
347.08716	0.9
355.53967	1.0
364.54468	5.5
365.04825	2.5
365.09872	26.1
365.18103	19.9
365.55087	0.9
366.10153	2.2
366.18588	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	365.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44023	2.5
53.96374	2.2
57.03466	13.3
59.01368	2.6
59.58887	2.2
64.50099	2.9
70.58701	4.5
70.59021	3.8
71.01369	2.6
73.02950	4.5
78.95927	3.1
96.96035	6.0
113.09743	25.4
119.05041	73.2
120.05363	6.0
127.07654	9.3
129.09230	100.0
130.09583	4.3
131.70294	2.6
135.04570	4.1
145.06215	5.6
157.08734	20.2
161.02483	6.5
163.04027	87.2
164.04338	4.8
173.08189	9.3
191.25487	2.5
204.65451	2.5
213.91669	2.4
221.31502	2.6
250.03348	2.3
267.71640	2.4
365.20914	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19592	0.6
52.60616	0.7
52.89236	0.6
55.01888	0.8
57.03444	2.4
59.01387	15.4
60.06767	0.6
67.01880	0.8
68.99815	1.1
69.03499	0.7
69.45459	2.6
69.45866	1.2
71.01392	13.0
72.01663	0.6
72.99305	4.1
73.02950	1.6
75.00883	14.9
77.44170	0.7
83.01408	1.0
85.02956	17.2
87.00873	6.5
89.02461	3.7
95.01386	3.8
97.71247	0.8
98.22262	2.0
99.00889	9.0
103.00388	1.4
103.21293	0.7
109.02969	1.0
111.00881	1.5
113.02466	22.5
115.00359	1.5
115.07661	100.0
116.07988	3.7
117.01962	3.3
123.00854	1.2
125.02471	1.1
129.01930	1.4
137.02504	1.0
147.04614	0.8
157.01437	0.7
165.01927	0.9
175.02530	3.2
177.01968	1.0
190.02705	0.9
191.03551	2.1
193.01408	0.8
203.03511	1.4
205.07179	1.1
217.01376	1.0
231.02959	1.0
231.05161	1.8
245.00801	0.8
247.02534	3.2
248.02638	1.6
249.03990	1.1
249.06181	16.9
250.04181	1.0
250.06548	1.0
266.97644	0.8
267.07217	1.7
305.12469	1.5
347.13541	2.1
364.54782	2.1
365.04684	2.1
365.14545	59.7
366.14975	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	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01385	6.5
63.52499	0.4
67.01893	1.2
67.94875	0.4
68.99805	1.3
69.21676	3.6
71.01397	3.8
71.43323	0.4
83.01388	1.2
85.02965	6.7
87.00886	2.4
87.04528	1.6
89.02467	0.5
95.01379	1.5
95.32696	0.4
96.96041	0.5
101.02469	1.0
101.06093	100.0
102.06410	2.8
107.01439	0.8
109.02948	0.6
111.00887	1.8
111.28291	0.4
113.02456	4.2
125.02464	3.4
126.02794	0.9
137.02437	0.6
139.00369	1.3
151.00398	0.8
157.01413	0.6
169.01442	1.1
185.11781	0.6
189.03981	0.5
203.12889	0.6
205.07224	0.9
221.59712	0.4
231.05032	0.5
255.29538	0.5
263.07736	5.9
331.04462	0.6
365.14462	18.0
365.18350	2.9
366.14874	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	365.1457
Annotation	15-Bromoparguer-7-ene-16-ol
Peak:m/z	Relative Intensity
57.03442	1.8
59.01383	19.5
65.41210	1.0
68.99810	1.3
71.01388	14.9
72.99299	4.0
75.00885	13.7
81.03455	1.4
82.02979	2.9
83.01339	1.4
85.02961	16.8
87.00896	6.7
89.02456	3.1
92.05080	12.2
95.01401	5.6
99.00900	9.8
103.00391	1.5
109.02982	1.0
111.00854	1.4
113.02470	25.7
115.07665	100.0
116.07993	3.4
117.01955	2.8
123.00876	1.4
124.04097	1.8
125.02478	1.8
129.01985	1.7
135.58553	1.1
136.04073	16.4
137.02531	1.2
139.18869	1.0
163.00357	1.6
169.01459	1.2
174.05600	2.3
175.02487	2.8
177.01923	1.3
184.23027	1.2
189.01987	1.1
191.03499	2.6
193.01422	1.6
203.03548	1.6
217.01433	1.5
218.04698	2.4
231.05089	1.5
233.64026	1.1
237.61613	1.2
245.00893	2.0
247.02458	4.1
248.02809	3.6
249.03792	2.4
249.06149	17.9
261.08771	5.9
267.07242	2.4
347.13596	3.3
357.31253	1.4
364.54568	3.0
365.14554	64.6
365.95200	1.4
366.14874	4.2
367.02621	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	365.161
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
59.01387	7.4
61.98838	13.3
85.38951	4.6
99.92604	15.4
115.92097	11.7
116.92851	14.7
123.00877	14.0
125.02467	58.3
125.23894	4.6
139.00375	5.2
139.95033	4.5
151.00340	29.6
152.31606	3.9
169.01454	50.1
177.74861	4.4
213.14902	26.2
321.16769	4.3
347.15027	12.2
365.16098	100.0
366.16418	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70204	1.1
55.01867	1.3
57.03445	2.9
58.00591	3.8
59.01385	100.0
71.01389	59.1
71.04386	2.5
72.01736	1.5
72.99314	6.0
73.02935	1.4
75.00861	1.0
76.74129	0.9
83.01385	3.9
85.02960	12.7
87.00882	2.8
89.02455	63.1
95.01401	4.1
96.96015	1.6
99.00838	1.3
101.02454	38.9
101.06097	1.9
102.02793	1.1
109.02950	1.4
113.02468	20.7
119.03510	32.4
125.02440	7.2
131.03510	2.3
137.02571	1.3
143.03539	3.3
149.04561	2.2
151.04041	1.8
153.01953	3.6
161.04559	3.6
165.05536	1.1
168.04263	1.1
169.01430	3.5
179.05620	4.0
185.11818	5.0
191.56836	1.0
195.06499	1.2
196.74988	1.0
203.12825	1.8
254.49948	1.1
365.18188	77.7
366.18488	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	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89058	0.2
68.97314	1.8
68.97718	0.4
79.29111	0.2
82.14399	0.2
96.96021	2.2
98.95620	0.5
98.96381	0.2
106.63535	0.2
108.02190	0.3
112.34349	0.2
116.05077	3.8
117.05495	0.2
128.66365	0.2
140.17885	0.2
153.01950	0.2
159.03232	0.7
160.04054	100.0
161.04405	5.3
204.03021	4.1
205.03342	0.3
207.92987	0.2
210.99197	0.6
211.99504	0.5
290.38947	0.2
348.01016	0.3
366.02411	0.6
366.08313	13.7
367.08698	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	366.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64259	8.0
61.98833	100.0
63.96611	10.7
70.53398	13.8
70.53715	15.1
168.00768	14.2
169.29268	11.0
192.24190	8.7
202.35962	10.5
248.03113	9.9
303.12238	53.8
351.86765	9.4
359.23276	10.7
371.96353	11.7
385.37375	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	366.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82795	1.0
62.07331	1.2
71.04108	2.3
79.81611	1.3
91.61465	1.1
91.66037	1.3
120.04530	2.5
132.04536	2.8
146.06075	4.6
148.07698	51.5
149.08051	3.3
229.67551	1.1
241.20712	1.4
366.24377	100.0
367.24765	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	367.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73922	1.4
57.03456	7.5
59.01395	3.9
65.50967	1.5
71.25124	2.9
83.01394	3.3
85.02962	20.5
91.05534	3.2
95.01427	1.7
98.02495	2.2
105.03513	2.4
105.26418	1.6
110.83890	1.5
111.00906	3.0
117.03490	5.0
119.05029	11.6
121.02955	4.5
123.00906	3.6
125.02532	3.2
128.03563	3.3
129.01961	24.5
130.04198	2.8
131.05048	5.6
132.02200	2.2
133.02975	2.9
134.03746	13.7
135.04568	9.9
137.02402	2.1
145.02948	4.7
146.03636	1.7
147.00993	1.6
147.04533	28.2
148.04910	2.1
149.02460	2.8
149.06087	1.7
159.04559	10.8
160.01660	4.3
161.02449	11.8
161.06146	1.6
162.03143	2.7
163.04030	38.1
164.04358	1.8
165.01956	1.8
173.01006	3.6
173.02460	4.1
174.03241	3.3
175.04018	74.3
176.01216	1.6
176.04550	5.8
177.01936	16.3
179.03459	2.7
185.02466	2.6
185.34750	1.5
189.02003	1.6
190.02716	5.0
191.01985	3.5
191.03493	14.6
191.07104	1.8
193.05078	14.2
201.01997	3.2
203.03519	73.8
204.00668	2.2
204.03940	6.2
205.01447	4.4
207.02887	2.9
219.02982	28.1
220.03719	5.2
229.01483	5.1
231.02911	2.4
235.06131	55.4
236.06529	5.0
245.00972	2.3
247.02490	100.0
248.02829	8.7
275.01935	2.3
279.05115	50.6
279.49997	1.8
280.05478	5.1
291.01508	1.9
300.99945	4.2
323.04102	48.1
324.04449	5.4
352.55197	1.6
367.03076	5.5
368.02835	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	367.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27798	6.2
71.37190	3.6
85.02934	4.2
96.96037	7.5
98.95599	10.5
101.02478	4.2
108.85396	3.4
115.07645	5.4
125.02467	49.1
147.04489	4.1
160.04057	33.3
161.04419	35.9
164.07285	3.7
169.01427	100.0
170.01814	5.4
173.09767	3.6
212.11789	3.2
212.98888	3.6
331.06839	23.3
367.01950	8.6
367.08615	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	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72120	1.2
55.01868	2.4
55.07914	1.2
57.03451	11.3
59.01381	6.3
68.99816	1.6
71.01397	2.4
71.26646	1.8
72.99316	2.6
81.55598	1.4
83.01397	8.4
84.02185	2.9
85.02960	100.0
86.03319	1.6
87.02407	1.2
89.04032	1.3
93.03484	1.3
93.46522	1.3
95.01418	1.8
99.00887	3.7
105.03405	1.3
109.02943	2.1
111.00876	4.5
117.03475	7.5
119.05049	3.5
119.99416	1.3
123.00896	3.0
125.02447	4.0
129.01961	16.2
129.03430	1.6
132.02191	4.3
133.02975	20.4
134.03760	35.2
135.04552	25.1
136.04033	1.6
137.02480	4.2
143.03499	4.5
145.02922	8.3
147.03001	28.0
147.04573	3.0
147.82295	1.6
149.06126	4.7
154.99873	2.9
159.04543	2.2
160.01692	18.7
161.02458	53.1
162.02943	2.4
163.00377	2.6
163.04016	2.9
169.01469	1.5
171.00858	3.0
172.01620	2.1
173.00928	9.5
173.02463	6.2
175.04024	31.4
176.04459	1.9
177.01967	1.6
178.02765	1.6
179.03516	30.5
185.02448	3.1
186.51784	1.4
187.03877	1.6
189.01973	4.0
190.02730	2.7
191.01990	24.8
191.03520	2.6
193.01437	1.7
193.05064	15.5
199.00436	1.5
200.01207	1.7
201.02043	7.3
203.03531	6.6
204.03923	1.5
205.01546	2.2
205.07120	1.5
205.83463	1.5
214.99768	1.7
217.01395	4.3
217.08948	1.4
219.03035	4.8
226.99812	2.4
228.00684	1.5
229.01479	12.7
231.03064	3.2
233.01260	1.4
233.08257	2.3
235.02547	1.6
245.00963	3.5
246.01584	1.5
247.02422	6.6
248.03061	1.6
249.03987	2.0
250.55435	1.5
254.99284	1.6
257.00845	3.5
261.07605	13.0
262.08179	1.6
271.99768	1.4
273.00491	4.9
274.01126	1.6
275.01987	9.1
288.08893	1.8
289.00082	1.7
291.01410	1.4
300.99887	15.0
304.99521	2.1
340.03439	2.1
345.02594	1.9
353.02377	1.6
367.01865	4.1
367.06689	3.7
367.52039	1.6
368.02869	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	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91080	2.0
57.03450	18.6
63.93220	2.0
67.36888	2.0
69.16261	4.8
69.16659	18.3
85.02956	29.3
90.23434	2.4
93.03464	6.6
111.00861	5.1
117.03478	3.8
125.02475	5.5
129.01961	100.0
134.03746	34.7
135.03027	2.2
166.69714	2.2
173.00850	11.1
173.04613	3.4
182.51132	2.2
191.02010	4.5
191.05655	12.3
193.05069	22.7
205.03548	6.9
250.89674	2.4
281.95712	2.7
300.99792	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	367.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03452	10.5
59.01380	4.1
67.01872	1.1
68.99821	1.2
71.01382	2.0
71.26431	0.7
72.99310	1.5
75.00875	1.8
78.88521	0.7
83.01390	2.7
84.02180	3.3
85.02958	100.0
86.03304	2.4
89.03958	0.8
95.01411	2.2
97.02976	0.6
98.13119	0.6
99.00861	1.1
103.00386	1.2
107.01382	0.8
111.00904	2.2
117.03513	4.9
119.05027	1.6
119.58665	0.7
121.02945	0.8
121.99835	0.6
123.00881	1.8
123.04553	1.5
125.02471	4.5
129.01947	5.4
129.03479	1.2
132.02174	3.0
133.02983	1.4
134.03752	32.0
135.04549	2.0
137.02461	2.5
145.02963	4.5
147.03014	46.7
147.04422	2.3
148.03387	1.0
149.02496	0.8
149.06096	5.3
151.00362	0.7
153.88597	0.7
157.02977	2.0
158.03828	0.8
159.04594	1.9
160.01666	20.0
161.02487	4.3
162.03148	0.9
163.04062	3.0
166.99841	0.7
169.01442	1.6
171.00960	1.2
172.01685	1.9
173.00909	2.8
173.02452	5.6
174.03178	2.1
175.04010	33.7
176.04427	2.3
177.01985	2.2
177.05626	0.8
185.02457	2.6
189.01941	1.9
189.05566	0.9
190.02776	1.1
191.01991	2.7
191.03526	2.0
193.05086	21.4
194.05457	1.2
199.00465	0.9
200.01257	2.2
201.01964	6.4
202.02695	0.9
202.06487	0.8
203.03546	7.1
205.05017	0.9
213.01959	1.3
213.83054	0.6
214.02893	0.7
214.99768	0.6
216.00706	1.0
217.01460	2.2
217.08784	0.8
218.05913	1.7
219.03046	1.1
226.99821	1.2
228.00708	1.5
229.01443	11.6
230.02164	1.8
231.03062	4.6
233.00931	1.2
233.08191	1.6
245.00821	3.3
247.02528	3.5
249.04143	1.8
254.99274	3.1
257.00977	3.7
258.01654	0.8
261.00351	0.9
261.07706	12.9
270.98898	1.0
273.00491	2.7
274.01151	1.6
275.02011	10.1
291.01556	1.0
299.99039	1.8
300.99921	13.1
340.03415	1.5
345.94574	0.7
354.03140	1.5
367.06696	2.4
367.52499	0.8
368.02765	7.6
378.86829	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	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03449	11.7
59.01378	3.6
70.93262	0.9
71.01383	2.1
72.99303	2.6
83.01395	2.8
84.02187	2.5
85.02959	100.0
86.03289	2.5
98.22540	2.1
106.39681	0.9
111.00864	2.8
112.42177	1.0
125.02439	3.7
129.01967	7.3
132.02144	2.7
133.02879	2.3
134.03751	6.1
145.02988	1.2
145.08676	1.0
147.03017	26.7
148.03296	1.2
160.01675	9.9
161.02472	8.1
161.04539	1.1
167.03482	3.4
173.00932	1.2
173.02393	1.1
175.04053	11.2
191.01987	17.3
191.03580	2.3
192.02303	1.2
193.05112	3.0
201.01894	1.3
203.03473	1.3
205.03493	10.9
218.82707	1.0
228.73610	1.2
235.02390	1.4
237.68620	1.0
273.00681	1.2
300.06558	0.9
316.53680	1.0
323.07669	2.1
368.02606	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	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
57.03451	21.6
59.01389	1.6
60.32965	1.4
67.01878	1.6
68.95855	15.4
71.01382	3.8
72.99306	2.4
75.00866	3.3
83.01392	5.8
84.02177	8.4
85.02958	100.0
86.03300	2.0
89.03989	1.7
92.35287	1.4
97.02969	1.5
108.02189	2.5
109.02970	1.3
111.00891	3.7
112.01884	1.2
117.03464	5.1
121.35143	1.3
123.04519	1.6
125.02460	5.5
129.01930	9.1
129.92284	1.2
132.02184	3.9
134.03755	79.5
135.04436	5.1
137.02431	4.0
145.02902	1.8
147.03029	6.8
149.06090	15.6
154.99869	1.5
160.01680	22.9
161.02371	6.1
162.03218	3.1
163.04094	1.8
173.00873	4.7
173.06139	2.5
173.75848	1.5
175.04018	44.9
176.04622	1.9
177.05553	1.5
177.76366	1.3
178.02669	4.9
189.05551	2.1
191.01945	2.1
193.05074	47.2
194.05362	3.1
200.04790	2.0
202.06398	2.3
207.06693	2.9
217.05063	1.8
218.05899	5.3
233.08212	4.8
261.07687	39.2
262.07993	2.1
300.99802	1.6
367.06824	2.9
387.50757	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	367.08
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.4
61.98844	34.1
69.25111	38.7
72.31938	5.4
93.28194	4.4
96.96022	22.9
98.21814	9.1
98.95635	25.6
98.96265	4.6
109.62272	5.3
113.59783	4.9
116.05019	6.3
117.05395	6.4
150.88849	5.9
153.01996	8.1
160.04068	79.8
161.04424	100.0
169.01508	5.3
206.04588	18.7
212.98755	11.3
367.01669	14.7
367.08667	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84419	1.3
59.01379	1.9
60.05832	1.2
66.22990	1.3
71.01363	1.9
75.17243	1.4
78.95937	7.7
82.02984	10.6
92.05071	100.0
93.05419	4.7
94.02995	1.6
96.04581	2.7
96.96035	2.6
96.96999	2.0
98.02496	9.6
100.04072	2.7
110.67514	1.2
114.05618	1.9
119.04977	1.6
121.02972	5.7
121.03765	1.3
124.04028	1.5
125.02423	1.9
128.05040	1.6
130.06638	31.0
131.05037	4.3
131.06972	2.3
136.04056	56.7
137.04416	1.7
138.05629	19.9
144.04573	1.6
146.06128	2.9
148.04410	37.5
174.05617	51.3
174.07101	2.9
175.05968	2.1
182.04655	7.6
186.05952	31.2
187.06306	1.8
218.04611	60.9
219.04976	6.1
230.04932	59.6
231.05257	3.7
239.18048	1.7
257.19214	2.4
287.20142	2.0
305.09665	2.5
321.20486	1.8
349.08655	2.6
367.09604	28.8
367.21359	3.1
368.04944	1.5
368.10040	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	367.1033
Annotation	Methyl-4-O-caffeoylquinate
Peak:m/z	Relative Intensity
57.03460	7.3
57.18016	0.8
69.16920	6.3
72.99320	2.3
73.02914	1.5
77.75552	0.8
78.95921	1.9
79.47121	0.9
81.07114	0.9
91.80614	0.8
98.22532	1.7
99.08151	9.0
107.05039	1.3
109.02867	0.9
113.06095	2.0
115.07657	26.5
129.05592	2.0
134.03740	4.2
135.04539	96.4
136.04872	4.4
143.07141	6.3
152.99574	1.3
161.02481	1.5
179.03510	100.0
180.03841	6.0
205.07205	9.1
206.07681	0.9
298.18787	1.0
334.53470	0.9
368.22034	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	367.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98868	0.2
59.01380	1.7
60.03083	0.3
67.28789	0.2
79.95754	1.6
79.96148	0.3
85.02958	1.8
96.96022	100.0
97.95974	0.3
100.34250	0.2
125.02425	0.5
129.01945	1.0
134.03737	1.5
154.08768	0.6
155.09036	0.4
160.01617	0.3
175.03989	0.9
193.05086	0.8
202.73575	0.2
227.12866	0.9
252.85576	0.3
259.06210	0.6
261.07751	0.7
287.05621	1.0
287.15027	3.2
323.21405	0.4
345.52213	0.3
367.10666	11.5
367.20502	1.8
368.11029	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	367.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34552	15.3
55.39057	16.5
59.01388	42.6
68.99815	16.7
71.01920	17.9
71.26634	20.2
93.03448	64.0
95.01428	17.7
99.04553	18.5
121.02914	22.9
123.00909	20.0
125.02455	26.1
135.04536	50.4
137.02475	86.2
138.02811	20.4
139.51057	17.8
145.02962	34.3
161.02441	23.9
163.04028	28.6
169.01393	24.2
173.02420	24.2
175.04012	31.6
178.05093	24.0
189.02013	25.5
191.03540	37.6
192.00702	20.5
201.01851	35.3
203.03690	23.6
229.01401	66.1
230.02036	23.5
231.03055	26.7
245.00926	20.9
247.02493	100.0
262.83664	17.9
273.00424	54.3
281.29840	17.3
281.32739	18.9
298.10941	45.8
300.99884	65.0
329.12320	87.1
367.21384	26.2
368.02823	55.7
391.95840	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	93.3
72.26077	46.7
78.95910	92.3
112.85895	52.4
116.92876	89.7
142.09456	53.7
148.05487	48.0
179.03354	53.8
196.99702	57.1
285.04187	100.0
390.84082	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	10.9
58.02986	8.5
59.01381	2.1
64.93137	1.6
70.62661	2.6
74.02475	2.0
82.02988	2.1
83.29026	1.3
84.04537	7.4
96.96012	1.7
98.81528	1.3
99.99373	1.2
101.07218	6.6
109.04071	9.0
113.09733	22.2
121.02929	2.1
123.08100	2.0
124.07730	1.7
125.03572	2.9
125.07235	8.3
127.05145	63.3
128.03534	12.1
143.08226	1.6
145.06201	59.2
146.06575	1.9
179.11981	1.5
191.11879	4.4
196.62000	1.3
209.12906	2.2
220.17070	1.4
221.15419	1.7
305.22296	2.5
349.21286	10.0
350.21722	1.5
367.22345	100.0
368.22705	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	368.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42368	0.9
61.98835	100.0
65.03500	0.9
69.52042	4.3
83.31773	0.9
85.02968	1.7
96.95991	1.3
98.95607	2.6
108.02182	1.3
111.00896	1.6
111.04623	0.9
119.05354	1.0
125.02473	5.8
131.38750	0.9
137.02455	1.4
139.04077	1.6
149.38451	1.0
153.01544	0.9
165.01991	1.4
167.89688	0.9
205.05104	1.1
211.19275	0.9
219.06396	1.1
223.04626	1.3
286.06516	2.6
305.06851	4.6
368.01886	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	368.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17616	0.8
53.03384	0.9
55.01882	1.0
57.03452	2.7
59.01384	2.0
60.56170	0.8
61.98837	100.0
63.31994	0.8
69.26009	2.9
69.26445	3.6
71.01398	2.1
83.01414	1.1
85.02959	16.1
89.02505	1.2
101.02478	1.9
107.80728	0.9
111.00898	5.6
119.05045	1.2
125.02454	3.2
129.01953	5.6
133.85692	1.0
163.04042	1.4
205.03537	4.1
223.04617	9.8
245.68936	0.9
305.06741	2.5
348.29807	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	368.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51694	16.7
66.34611	14.8
68.50104	15.2
68.50498	15.4
69.17516	100.0
70.43332	13.5
72.06891	13.7
75.09785	16.0
80.36407	17.4
129.81087	14.9
133.45995	17.0
143.89917	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	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.3
57.03448	15.4
59.01377	14.5
69.41264	11.5
69.41685	7.2
71.01384	22.4
71.54272	3.1
72.99302	5.1
75.00900	3.9
78.62480	2.8
83.00940	2.8
83.01399	17.1
84.02197	4.0
85.02958	100.0
89.02457	4.6
96.96024	3.2
99.00881	6.2
101.02473	4.2
105.32179	3.1
107.01402	8.9
111.00884	9.5
117.03435	3.4
119.05032	61.8
123.00896	6.9
125.02451	41.9
129.01973	16.8
133.01411	4.4
143.03516	8.1
145.02962	24.9
147.03021	4.8
147.04495	3.9
150.10847	3.0
151.00349	4.3
163.04016	59.0
163.91309	2.7
169.01436	47.5
173.00922	5.6
177.84740	2.8
191.01984	54.6
191.03610	5.3
201.01968	3.4
203.03481	9.9
203.06985	3.0
223.04613	45.4
229.01472	6.0
231.02972	6.1
231.06612	9.3
249.03973	14.9
258.01758	4.5
273.00546	4.2
275.01981	46.5
294.03812	20.7
306.80246	3.1
337.05563	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
57.03452	19.1
59.01395	3.9
69.92691	6.2
71.01400	9.9
73.02918	1.8
75.00863	1.8
78.14022	1.5
80.14301	1.4
83.01406	9.3
84.02132	2.1
85.02960	100.0
86.03294	2.3
98.22436	1.7
101.02454	7.0
111.00887	35.3
119.05037	7.3
129.01952	34.3
147.03012	3.5
161.04541	2.4
163.04048	6.5
177.84390	1.9
187.02524	2.7
205.03555	33.2
223.04616	92.6
224.04985	4.3
255.50291	1.6
390.06699	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36390	1.4
55.01881	5.4
57.03452	17.5
59.01393	4.3
68.99799	1.8
69.79097	5.5
71.01381	10.2
72.99322	1.9
73.02944	1.6
75.00882	4.6
83.01395	13.0
84.02176	3.6
85.02961	100.0
86.03315	2.2
87.00890	1.6
101.02446	7.4
111.00901	37.0
116.42953	1.4
119.05025	12.0
129.01961	30.8
143.03574	2.4
145.02937	2.7
147.03044	3.0
161.04591	3.5
163.04044	9.3
188.39145	1.6
191.02000	2.1
193.31445	1.5
202.82310	1.4
205.03551	32.1
205.05403	2.5
223.04625	98.3
224.05017	3.1
264.49786	1.6
371.23425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.1
57.03453	17.6
59.01377	6.5
68.99837	2.1
69.03461	1.7
71.01402	9.6
71.01732	2.4
72.99302	3.3
73.02959	2.7
75.00894	3.3
83.01380	12.4
84.02161	2.6
85.02962	100.0
86.03307	2.5
87.00874	2.0
94.87146	1.5
98.22593	3.8
101.02457	7.4
102.06667	1.9
103.03999	2.3
111.00906	37.0
119.05046	9.2
129.01962	33.4
147.03023	3.0
161.04489	2.6
163.04030	6.5
163.82352	1.6
179.05521	2.0
187.02496	3.6
205.03563	36.4
208.06171	2.2
223.04626	94.4
224.05016	4.1
277.79288	1.7
294.76550	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68410	1.0
55.01871	4.1
57.03458	17.6
59.01373	3.0
60.29424	1.3
67.01897	1.5
71.01389	7.5
71.19169	1.0
72.99300	2.4
73.02949	2.4
75.00903	1.7
83.01401	11.4
84.02168	1.8
85.02957	100.0
85.80524	1.1
86.03306	2.4
87.51512	0.9
89.60295	0.9
94.54737	1.0
101.02457	4.7
111.00884	27.9
119.05021	10.6
125.02409	3.2
129.01955	39.1
130.02275	1.5
137.02457	1.4
147.03061	1.3
150.91263	1.4
161.04558	2.3
163.04013	13.2
169.01419	2.3
187.02419	1.7
205.01651	1.7
205.03560	22.1
223.04597	37.5
224.04912	2.5
229.12895	1.5
229.15277	1.7
229.83391	1.1
287.05566	1.5
370.09015	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.3
57.03453	20.5
67.01893	1.0
68.99816	1.1
69.16685	2.4
69.17089	6.3
71.01391	5.6
71.19173	1.0
72.99318	2.6
73.02960	1.7
75.00867	1.9
75.49541	1.2
83.01411	8.8
84.02166	2.6
85.02959	100.0
86.03299	2.4
94.45029	1.2
95.69627	1.1
97.57248	1.2
101.02466	5.5
111.00896	29.8
112.01197	1.2
119.05035	12.4
119.54909	1.0
129.01955	38.2
130.02327	1.5
145.02986	1.3
147.03001	1.2
161.04594	2.1
163.04056	9.2
177.04039	1.2
187.02580	2.0
205.03572	22.8
223.04610	35.7
224.04982	1.4
301.25635	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.8
57.03457	14.4
59.01370	3.8
71.01385	9.3
71.26026	4.3
72.99316	19.5
73.02954	6.2
75.00875	5.7
78.95873	3.4
81.03462	17.7
82.46395	2.4
83.01396	9.8
84.02183	3.5
85.02957	100.0
87.00894	9.8
88.98820	3.0
90.24010	2.4
96.96032	16.5
96.96963	4.4
99.00897	10.6
101.02444	6.7
104.97789	3.5
111.00890	26.1
113.02502	5.1
119.05011	12.8
125.02460	46.5
128.96887	3.4
129.01956	44.4
130.96574	3.1
131.08331	3.0
143.03526	8.8
161.04602	6.3
161.06097	2.2
163.04070	13.4
164.01297	2.5
190.02705	3.2
194.29106	2.7
195.21170	2.8
202.94162	9.6
205.03543	40.8
205.05161	12.7
219.02881	3.5
223.04590	66.8
240.97612	5.3
249.03972	2.9
296.94327	3.1
325.05661	3.7
359.92825	3.1
369.12341	3.3
370.11694	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	369.2436
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
62.12555	2.1
70.51035	6.9
88.67961	2.3
101.15862	2.5
163.11293	99.3
164.11626	5.7
172.17705	2.1
179.10773	18.6
193.12343	20.4
197.41919	2.3
337.21725	11.6
369.24371	100.0
370.24786	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	370.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64769	0.6
53.60327	0.6
55.01876	1.8
57.03456	10.9
57.40482	0.6
58.00592	1.7
59.01385	47.2
68.95275	8.3
71.01389	27.6
71.01697	0.4
71.01793	0.7
72.99311	3.4
73.02966	1.1
75.00889	1.1
83.01390	2.4
84.02159	2.6
85.02961	95.4
86.03290	1.6
87.00893	2.8
89.02457	30.2
95.01397	1.1
98.21722	1.3
101.02458	8.9
103.00395	1.7
105.19349	0.7
111.00899	1.8
113.02458	7.4
115.00439	1.4
119.03519	9.6
119.04974	0.9
122.06110	0.9
129.01962	6.8
133.01443	5.4
134.91455	0.8
135.04549	6.1
143.03528	0.9
147.03024	9.0
161.04570	1.7
163.46840	0.8
164.07175	15.0
169.01505	0.9
169.35667	0.7
173.00987	1.1
178.67688	0.7
179.03546	2.4
179.05669	5.3
182.26231	0.7
191.01997	22.5
209.03044	100.0
291.24014	0.7
326.12540	11.1
327.12952	0.9
371.05704	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	370.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76168	1.8
57.03436	5.2
59.01388	7.6
65.74139	2.1
71.01392	25.7
71.25605	3.3
73.02943	7.4
83.01403	4.4
84.43382	2.0
85.02959	34.4
86.03262	3.4
89.02438	3.2
93.03450	3.7
94.15957	2.1
99.00900	2.9
101.02455	8.9
106.04261	10.4
107.05042	89.1
108.02155	3.9
108.05376	5.1
113.02457	3.7
125.02418	2.8
129.01949	3.7
131.08313	4.0
133.01454	5.9
136.07698	63.1
137.07974	4.1
161.04543	2.4
164.07187	98.8
165.07558	5.1
173.10515	3.1
184.44621	2.1
191.02000	3.3
208.06172	100.0
209.03014	22.7
209.06487	5.8
366.61209	2.0
370.11444	73.0
371.11649	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	370.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25565	13.9
69.44901	100.0
94.42598	14.6
103.15009	13.3
106.24810	13.7
163.11296	26.9
165.09430	14.6
177.09427	13.9
209.31322	14.2
217.12572	15.8
222.08870	14.8
353.20917	20.4
370.21182	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50132	0.8
57.03454	8.8
59.01377	8.3
61.37272	0.9
69.11118	8.5
71.01389	10.4
71.55754	0.8
72.99286	1.7
75.00860	1.8
83.01398	1.5
84.02156	2.0
85.02956	74.0
86.03291	2.0
87.00876	1.8
89.02466	5.8
99.59368	1.0
103.00386	1.8
115.00377	0.9
129.01979	4.1
133.01443	7.7
135.04527	5.2
135.05452	1.1
137.02423	2.6
147.02977	4.9
179.03510	1.3
191.01981	17.6
209.03036	100.0
210.03352	3.8
243.68408	1.1
346.27747	0.8
371.06033	1.2
385.56314	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	371.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58334	1.1
52.51570	1.0
55.01880	1.8
57.03450	8.1
59.01382	6.5
60.07346	1.0
71.01391	9.8
72.99326	2.5
75.00877	1.2
83.01402	1.5
84.02173	2.3
85.02962	88.7
86.03315	1.6
89.02473	5.4
98.22525	2.5
100.94960	0.9
102.97533	0.9
103.00420	2.0
115.00359	1.2
115.17670	1.0
129.01990	5.1
133.01448	7.6
135.04549	2.7
147.03044	7.5
179.03482	1.8
191.02002	21.8
191.03625	1.5
198.32536	0.9
209.03046	100.0
210.03403	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44172	1.1
55.01883	1.1
55.84299	0.9
57.03449	8.2
59.01384	5.5
64.12653	0.9
70.38799	2.7
70.39144	1.2
71.01389	9.1
72.99330	1.3
78.41139	1.2
83.01395	1.6
84.02178	1.3
85.02955	72.7
86.03278	1.4
87.00897	1.3
89.02451	2.8
103.00375	2.1
129.01950	3.8
133.01428	4.4
135.04530	3.8
147.03021	6.7
179.98068	0.9
191.01985	20.5
209.03032	100.0
210.03377	3.0
220.64030	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.3
59.01390	13.4
68.99794	2.4
69.03460	1.6
71.01385	17.7
72.99295	3.8
73.02937	2.4
74.62154	1.6
75.00887	17.1
84.11673	1.3
85.02958	17.6
87.00888	5.4
89.02443	4.0
90.73480	1.4
95.01382	4.0
99.00871	8.2
100.17223	1.3
113.01735	2.3
113.02470	27.0
115.00401	2.1
117.01945	3.9
121.02972	100.0
122.03294	2.6
129.01863	1.9
175.02533	3.8
189.04121	2.4
231.05173	6.8
233.58054	1.4
249.06180	92.7
250.06438	5.2
307.00546	1.3
324.65039	1.6
371.09869	54.5
372.10211	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	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.03442	4.5
59.01122	1.7
59.01384	16.5
68.73060	1.1
69.66113	6.7
71.01383	15.7
72.99316	6.9
73.02942	3.4
75.00486	1.8
75.00877	18.6
85.02957	27.3
87.00891	7.2
89.02442	5.4
95.01399	5.6
99.00891	11.9
101.02392	1.4
103.00394	2.8
104.94467	1.4
105.48981	1.2
113.02467	29.4
114.12359	1.2
115.00429	2.3
117.01952	3.9
121.02967	100.0
122.03272	3.6
125.02479	1.6
128.03526	1.1
129.01959	2.4
139.00349	1.2
153.05527	1.8
155.04996	1.0
160.40022	1.1
175.02524	4.3
191.01979	1.6
193.03545	2.7
197.04684	2.4
209.02939	2.7
210.04111	1.6
231.05042	2.5
249.06152	26.6
265.07150	2.1
279.78778	1.4
346.73053	1.6
371.09842	59.5
372.10257	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	371.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54624	2.1
61.43069	2.3
61.98831	3.8
63.22556	2.7
64.41069	2.4
74.94859	2.3
77.36411	2.2
80.86359	2.2
98.21750	7.6
104.78451	2.4
109.02958	65.5
110.03330	4.6
121.02988	4.2
131.50584	2.3
134.03746	3.5
135.04567	15.8
136.01677	24.4
145.03029	5.5
151.04008	27.7
158.03831	3.1
159.04500	14.0
160.05327	48.7
161.05646	3.6
175.07669	34.4
179.03528	15.5
193.06506	2.6
193.21507	2.8
211.07727	3.4
221.06093	3.6
229.17740	2.9
239.07137	16.9
250.06380	6.9
267.06638	100.0
268.06995	7.4
282.09000	72.8
283.09293	6.6
297.11365	65.8
298.11624	6.7
312.10107	14.0
327.12430	78.8
327.15433	1.5
328.12878	10.6
352.96097	2.5
371.11221	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	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89099	1.5
64.91944	1.3
66.57627	1.1
68.07869	1.2
69.01649	10.8
69.18481	1.4
81.03448	3.4
83.33378	1.2
88.23676	1.2
93.03501	2.7
98.21780	1.9
108.02150	1.4
109.02966	71.1
110.03294	2.6
121.02967	7.6
125.02457	1.9
136.01678	26.7
145.02989	6.3
148.41544	1.2
149.02466	2.6
151.00412	1.2
151.04025	30.5
152.04373	2.4
158.03758	2.8
159.04555	13.3
160.05316	48.8
161.05710	2.9
164.04857	2.9
165.09251	11.2
174.03192	1.8
175.04114	2.1
175.07661	33.8
176.08073	2.1
188.48322	1.1
209.08212	34.5
210.08507	2.6
211.07664	3.8
221.06148	2.2
223.07675	2.2
224.04727	1.3
225.05644	1.9
233.08151	8.0
239.07216	19.0
240.07439	2.2
249.05644	3.3
250.06345	7.3
251.09334	3.3
266.05942	3.8
267.06653	100.0
268.07059	9.5
282.09006	74.4
283.09348	7.1
297.11346	74.6
298.11600	6.3
308.85962	1.4
312.06683	1.8
312.10071	12.1
327.12415	88.5
328.12750	8.5
371.11282	10.0
371.24088	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	371.135
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01873	3.3
57.03445	3.3
58.00593	4.8
59.01384	100.0
68.95112	10.1
68.95525	3.9
71.01389	62.5
72.99302	6.3
73.02931	1.5
83.01365	3.4
85.02478	2.6
85.02959	31.2
87.00877	3.8
89.02455	71.4
95.01405	3.5
99.00903	2.3
101.02452	40.7
108.02122	1.5
112.43823	1.4
113.02462	20.8
113.46482	1.3
119.03514	31.8
119.04877	1.4
121.02975	4.6
123.79340	1.6
131.03537	2.2
139.00429	1.9
143.03510	4.3
147.03040	1.7
161.02417	1.5
161.04523	3.2
163.00383	4.0
165.01952	2.4
179.05624	5.6
191.01965	3.5
203.03462	1.4
209.03004	18.3
247.02397	3.1
252.64911	1.5
337.11395	1.5
371.03955	3.3
371.13492	97.0
372.13828	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01381	2.5
66.87280	0.3
69.52302	2.1
71.01385	10.2
73.02956	2.9
79.95741	0.4
81.15243	0.4
83.01393	0.8
85.02963	6.2
87.00904	0.4
89.02445	1.2
95.01383	0.8
97.02975	0.4
98.21761	0.6
99.00928	1.7
99.04536	6.8
101.02451	6.0
111.00912	0.6
113.02467	4.8
125.02465	1.4
129.01961	0.4
135.04482	0.3
135.08243	0.5
137.06093	6.3
139.07642	0.7
143.03513	0.5
149.09753	0.5
150.03258	0.6
150.06906	3.0
151.07655	0.5
153.05556	0.4
155.31337	0.3
159.02985	1.0
160.54849	0.3
161.02441	0.3
161.04579	8.3
163.07686	1.0
164.08438	100.0
165.08803	7.5
179.07149	4.7
191.02051	0.8
194.02264	0.4
198.66234	0.4
208.07375	0.6
209.02867	2.2
209.04414	0.6
255.83748	0.3
327.14481	0.4
331.27222	0.4
371.13422	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	371.1352
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
52.30790	0.4
55.03344	0.4
57.03441	1.6
59.01384	2.3
65.00307	0.8
65.25728	0.4
68.96316	4.0
71.01378	1.5
81.03461	4.8
83.01392	1.3
85.02942	2.0
89.02448	1.4
95.05005	0.8
98.22463	0.7
99.08131	0.9
101.02420	0.7
101.06104	0.6
107.01424	0.7
113.02517	0.6
119.03489	0.5
121.02914	0.4
123.08189	2.9
125.02451	5.1
125.05206	0.6
125.06093	5.0
137.85786	0.3
141.09198	0.8
143.10765	0.5
147.08215	0.8
149.02438	0.6
151.00354	1.3
151.04018	0.4
152.01155	0.4
153.58835	0.3
164.33318	0.4
165.09221	25.1
166.09639	1.7
167.03473	1.0
167.07112	0.5
179.10820	0.4
191.07133	1.4
197.04570	0.4
209.08203	100.0
210.08545	6.9
221.08134	0.4
251.09283	4.3
252.09592	0.4
281.10144	0.8
327.25287	0.9
371.13107	0.5
371.17276	0.6
371.24506	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	371.1352
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.45290	1.6
56.42466	1.4
58.67882	1.2
58.91932	1.0
63.31483	1.0
81.03446	8.1
83.01395	4.2
85.02971	1.2
91.63156	1.2
95.05035	14.0
97.02956	7.1
97.30968	1.1
99.04545	2.2
99.08176	2.1
101.06117	3.4
101.87460	1.2
111.92776	1.1
113.02440	2.0
121.02988	2.3
123.04543	4.4
123.08185	4.8
125.02467	21.0
125.06083	9.7
137.02467	4.8
141.09259	1.5
154.17111	1.1
159.18729	1.3
163.74414	1.2
164.08485	2.1
165.09244	12.2
167.03526	14.5
167.07159	1.4
179.10768	10.4
183.10260	2.0
197.04466	1.4
207.10309	3.8
209.06299	2.3
209.08192	27.3
210.08513	2.7
221.08197	8.3
223.09808	2.8
229.35475	1.5
251.09270	100.0
252.09560	6.3
263.09283	2.5
281.10352	24.6
282.10648	1.7
353.12396	1.4
371.13593	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	371.1351
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
57.03447	0.3
59.01373	0.6
65.00335	0.7
71.01392	0.7
71.05017	0.3
81.03465	6.0
81.20469	0.2
83.01398	0.9
90.46540	0.2
95.01434	0.4
95.05049	0.4
97.02962	0.7
99.08158	1.5
101.06046	0.6
107.01385	0.3
107.51950	0.3
109.02973	0.3
120.02437	0.2
121.02955	0.3
123.04647	0.2
123.08171	2.9
125.01561	0.2
125.02467	5.1
125.06097	5.4
126.06421	0.3
127.07672	0.5
129.67183	0.2
131.01353	0.2
133.01488	0.2
135.62546	0.2
136.05319	0.7
139.04010	0.3
141.09253	0.9
141.97314	0.2
147.08147	0.6
149.02466	1.0
150.06892	0.3
151.00386	1.0
152.01196	1.0
165.09222	36.7
166.09535	1.8
167.07155	0.5
175.07574	0.2
177.09151	0.2
179.07164	0.6
191.07184	1.4
193.08728	1.0
205.08711	1.2
209.08205	100.0
210.08543	6.7
213.87450	0.2
214.04149	0.2
215.07152	0.8
221.08183	0.9
223.09781	2.9
233.08205	25.0
234.08549	2.2
251.09288	10.4
252.09642	0.9
263.09268	3.4
275.09317	0.5
311.11456	0.6
371.13525	7.2
372.13797	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	371.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
59.01362	1.1
66.52877	0.8
73.02931	1.1
85.02959	1.0
97.06627	2.1
105.01560	0.7
110.33499	0.7
123.08154	1.4
125.09737	1.4
137.09717	1.0
139.11292	3.0
155.10727	1.0
185.11858	15.9
186.12160	1.2
203.08366	0.7
209.05997	1.4
213.11348	1.4
214.12093	2.5
215.12801	1.9
228.38383	0.8
237.22310	0.9
243.16100	3.7
267.06641	1.4
327.12491	1.2
341.23318	6.4
371.24405	100.0
372.24704	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	371.2443
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
53.96653	0.4
57.03444	0.9
59.01380	1.1
60.46161	0.5
71.05016	0.7
73.02934	1.6
78.74062	0.4
83.05013	0.7
87.04519	1.5
87.73692	0.4
90.16201	0.4
97.06613	1.0
98.21777	0.7
99.08176	0.5
109.06565	0.4
111.22158	0.4
121.90645	0.5
123.08179	1.4
125.09750	3.2
137.09721	0.9
139.11302	1.4
141.09225	0.6
141.12874	1.3
143.10762	0.7
153.09219	0.8
155.10814	1.0
160.58171	0.4
169.12311	0.7
171.10283	11.3
185.11850	1.9
195.29752	0.4
200.10606	0.7
209.06090	1.9
214.12047	0.5
215.12843	1.3
228.13690	0.8
267.06680	0.6
311.22409	0.6
323.22397	0.8
341.23337	6.8
342.23639	1.1
353.23352	1.6
369.22900	1.0
371.24402	100.0
372.24756	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	372.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95282	10.7
53.69212	11.3
53.91888	12.9
58.54471	10.1
59.01377	48.4
66.16660	10.2
67.85696	9.7
69.03451	100.0
69.03852	13.1
71.01392	19.8
77.49660	10.4
85.02955	32.6
87.00858	11.8
89.02466	19.8
105.65461	10.4
111.00863	13.1
111.12796	10.8
130.08769	21.5
132.04576	17.0
135.04562	53.0
136.04881	28.0
161.02425	13.1
169.01422	13.6
179.03580	24.9
180.03813	14.8
183.06488	10.7
191.03596	21.5
204.73880	13.4
247.02521	34.5
335.07733	18.1
372.20807	23.4
373.05377	15.8
384.89856	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	372.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18639	29.6
56.68979	29.6
57.06297	44.3
70.52174	100.0
78.49635	38.3
87.63301	33.5
109.36428	31.4
109.38933	34.7
114.27411	34.2
116.39847	37.4
276.12582	34.4
339.77759	35.4
386.52676	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13792	1.1
69.00012	6.2
69.00438	4.6
73.00872	1.2
98.21797	2.5
159.00858	2.6
168.99344	1.1
170.12807	1.1
171.00920	3.9
180.40746	1.2
187.00366	6.6
188.01199	2.0
200.01059	2.5
202.99910	1.9
212.98267	1.5
214.02838	1.6
214.99879	6.9
216.00616	3.3
225.98831	1.1
228.00659	1.7
228.97833	2.3
230.02319	1.5
230.99342	7.3
242.99348	7.1
244.00131	18.3
245.00534	1.6
256.97342	4.3
258.98901	2.9
270.98883	15.2
271.99503	3.6
284.96805	16.8
285.97543	6.4
286.01065	2.1
286.98337	6.0
298.98505	3.0
299.99124	34.8
300.99765	4.2
312.96313	5.9
313.97015	16.0
314.00455	2.1
314.97839	21.4
315.01495	6.1
315.98190	3.6
318.85712	1.2
326.97849	1.3
327.98615	21.8
328.99347	17.6
329.03186	1.4
330.00079	10.6
339.97876	1.1
341.96573	1.5
342.97263	66.6
343.01022	100.0
343.97629	6.1
344.01483	13.8
345.02551	1.5
356.99051	5.8
357.99579	34.8
358.03403	41.1
358.99725	2.6
359.03714	3.9
373.01974	55.3
373.05847	28.1
374.02042	6.2
374.06168	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	373.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42216	2.0
59.01378	5.6
59.53745	1.8
61.16912	2.0
71.01396	7.4
72.99319	2.4
83.01397	5.9
85.02974	4.6
87.00904	6.8
99.00909	14.2
109.02954	12.1
115.00380	21.4
121.02966	3.0
121.06626	3.3
133.02975	5.4
135.04547	6.7
137.02487	2.0
139.00345	2.8
145.02951	3.5
147.04497	9.3
148.05307	4.9
149.06100	100.0
150.06436	4.1
157.01451	3.1
159.03043	2.1
161.02461	29.1
161.04625	2.3
161.06151	4.5
163.04074	3.9
165.05597	5.6
175.02493	13.8
175.04012	12.5
177.01947	22.9
177.05487	2.3
179.03551	3.2
189.05643	5.1
193.05086	14.2
203.07008	1.9
205.05070	3.4
206.02199	4.7
219.03006	30.4
231.06593	2.7
233.04539	23.6
237.04060	42.1
238.04326	5.1
275.05484	2.3
277.03552	32.1
293.06696	11.9
319.04721	7.9
337.05679	77.8
338.06104	6.5
373.03342	9.2
390.24936	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	373.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01389	5.7
68.52122	1.1
70.57536	1.1
71.01390	7.3
71.26774	1.7
72.99329	2.0
73.02975	1.2
75.00877	1.3
81.25938	1.1
83.01392	8.6
85.02964	7.0
87.00890	6.4
92.05048	1.6
93.04565	1.2
98.02492	7.0
99.00897	11.8
99.78282	1.2
107.01451	1.9
109.02969	12.2
111.00874	2.8
113.02415	1.2
115.00384	24.9
116.00745	1.3
121.02950	1.7
121.06577	3.8
123.00920	1.2
125.02473	3.5
127.00351	1.9
129.01949	1.3
133.03003	7.4
135.04523	6.3
137.02455	1.5
139.00400	1.8
145.02977	3.3
147.04541	8.6
148.05356	5.1
149.06097	100.0
150.06396	5.9
153.01985	5.7
154.06244	7.1
157.01447	1.2
159.04472	1.5
161.02457	31.3
161.04514	1.3
161.05965	2.5
162.02911	1.6
163.04080	5.9
165.01892	1.4
165.05527	5.3
168.04298	3.8
169.01498	1.9
171.12987	1.1
174.03267	2.0
175.02481	16.8
175.04028	17.3
177.01936	27.7
177.05553	2.8
179.03519	2.9
185.06032	1.2
187.04005	2.8
189.05580	5.5
191.03551	3.8
193.05084	17.4
201.05577	1.6
205.05098	3.8
206.02252	5.8
219.03009	34.3
219.06470	1.4
231.06625	2.0
233.04582	23.6
234.05031	1.4
235.02480	3.7
236.06810	2.0
237.04062	49.6
238.04396	3.6
247.02451	1.8
249.07700	2.3
275.02521	1.5
275.05618	4.5
277.03583	31.4
278.03955	2.4
283.99500	1.7
293.06628	14.1
300.99954	8.6
316.89209	1.3
319.04630	10.0
324.59988	1.2
328.99411	3.6
337.05682	84.3
338.05954	8.8
347.71344	1.2
373.03290	8.5
373.07538	2.0
373.11575	1.6
374.03290	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	373.0566
Annotation	Melinervin
Peak:m/z	Relative Intensity
59.01372	1.3
62.78836	0.9
67.91424	0.9
148.01585	1.4
168.43198	0.8
187.00372	2.6
200.01254	0.9
214.99817	2.5
216.00635	2.5
228.77339	1.1
228.97791	2.0
230.99316	2.5
240.97784	1.2
242.99332	3.1
244.00148	19.6
256.00360	0.9
256.97342	2.4
270.98843	6.7
271.99509	3.3
273.35770	1.0
284.96796	13.3
285.97324	3.2
286.98389	3.1
291.76801	0.9
298.98358	2.4
299.99167	26.0
300.99579	2.6
311.99402	0.9
312.96362	6.8
313.97012	6.4
314.94543	1.3
314.97781	8.9
315.01508	4.4
327.98615	19.4
328.99280	5.7
329.99997	2.9
342.97229	23.7
343.00964	100.0
343.97580	3.1
344.01352	10.4
356.98904	1.5
357.99527	9.3
358.03323	45.9
358.99896	1.0
359.03757	4.6
373.01843	16.6
373.05722	34.8
374.02011	1.6
374.06485	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	373.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92452	1.2
57.03471	1.8
59.01394	8.2
59.96583	1.2
66.78702	1.3
69.10581	2.3
69.10984	11.7
71.01382	13.7
72.99325	1.3
73.02950	4.1
82.12413	1.3
83.01390	3.4
85.02960	6.4
89.02446	3.6
98.21822	2.4
100.28051	1.4
101.02470	10.1
107.01381	3.3
113.02462	1.7
124.01663	4.6
125.02411	2.7
151.00391	7.4
152.01160	5.8
161.02461	2.4
162.03166	2.6
163.00414	2.4
164.01151	4.3
169.01476	2.3
205.67133	1.4
209.08281	3.8
210.08540	3.9
211.04146	1.4
211.08684	3.8
211.13437	1.7
241.05078	3.3
243.03015	4.0
257.04532	4.9
269.04556	9.9
271.02499	29.3
272.02878	3.8
285.04086	37.6
286.04709	6.1
297.04150	7.0
299.01990	13.1
313.03424	7.3
314.04346	97.8
315.04590	9.7
329.06665	100.0
330.07022	10.2
332.41833	1.7
373.05399	2.3
373.18738	23.4
373.25876	7.5
374.19049	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	373.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.2
57.03452	12.3
57.46093	1.3
58.03794	2.5
59.01390	15.6
59.03900	1.5
61.98837	2.1
64.65723	1.2
65.26747	1.2
71.01389	16.3
71.26360	2.1
72.01726	2.9
72.53822	1.2
72.99337	3.4
73.01823	2.1
75.00875	2.5
83.01427	1.6
84.02182	3.2
85.02959	100.0
86.03289	22.3
87.00904	2.0
87.03354	14.6
89.02441	6.9
91.02863	1.2
101.02451	2.4
103.00389	2.4
110.83199	1.2
125.02442	1.2
129.01942	5.1
131.02426	1.4
133.01454	4.8
134.01837	1.3
134.03731	5.8
135.01881	3.0
135.04552	4.1
135.84457	1.2
136.04956	1.5
137.05167	1.9
147.02957	7.5
149.03458	3.8
151.04053	2.0
153.01974	5.0
164.53311	1.2
168.04279	3.0
169.01474	1.7
169.05147	1.1
169.44456	1.2
178.02705	4.7
179.03656	1.2
191.01997	12.5
192.02303	7.4
193.02475	14.5
193.05089	13.5
209.03049	45.0
210.03401	28.2
211.03502	74.1
212.03842	2.9
240.42993	1.3
286.18765	1.3
313.47864	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	373.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03180	0.9
57.03455	12.6
57.10208	0.6
59.01392	8.4
67.03551	0.7
71.01380	2.8
71.02133	1.3
72.99307	1.0
75.00880	1.5
83.01394	2.1
84.02174	3.2
85.02959	100.0
86.03295	2.8
86.97898	0.7
103.00362	1.5
121.02964	10.2
129.01956	5.5
137.76584	0.7
139.63826	0.7
147.03021	12.8
181.05072	2.9
182.87489	0.7
187.78795	0.8
191.00233	1.6
191.01990	33.7
192.02473	0.9
198.49988	0.6
209.03009	6.1
299.99258	0.8
361.00339	1.0
373.07925	1.0
395.39606	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	373.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81378	1.4
59.01384	29.1
67.01888	1.2
67.56132	1.3
71.01382	18.7
71.28007	2.3
73.02953	20.9
74.02486	1.5
79.01874	1.4
81.03488	1.3
83.01385	5.8
85.02950	7.0
89.02407	1.5
89.64908	1.4
92.04116	1.3
95.01403	3.1
100.84090	1.4
101.02440	10.4
107.01425	7.9
113.02449	3.3
123.00897	30.1
124.01672	1.4
124.67353	1.4
125.02455	39.3
126.02792	2.0
128.03554	1.7
134.03696	1.3
136.01666	17.9
139.00395	8.0
140.01126	2.4
141.01933	4.2
143.03407	1.4
149.91919	1.3
151.00391	26.4
151.04019	28.7
153.01941	3.0
165.02104	1.3
167.03448	1.6
168.00620	3.5
169.01439	70.1
170.01746	2.5
191.01869	1.3
193.01500	1.7
209.03023	1.8
211.02304	11.4
213.01823	1.6
253.03589	2.4
269.00854	1.4
271.99594	1.4
285.00458	8.8
303.01599	2.1
303.40912	1.4
312.99927	4.3
313.05508	7.6
314.00644	3.6
327.01459	2.1
340.99420	6.9
343.19870	1.4
373.02115	14.0
373.07709	100.0
374.02988	1.6
374.07980	8.9
397.42416	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	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21037	1.2
57.03470	1.6
57.85540	1.2
59.01388	100.0
61.30857	1.1
69.37868	4.0
69.38291	4.6
71.01382	4.2
75.29945	1.2
84.30603	1.2
85.02967	1.5
91.01881	2.9
93.03459	3.6
98.22539	1.7
98.24011	1.3
101.02483	2.0
108.02252	1.4
113.02471	1.5
121.02961	4.5
125.02458	5.9
137.02431	3.3
139.78581	1.2
151.04025	52.7
151.13905	1.3
152.04369	3.1
161.04601	3.4
169.01408	1.3
212.02180	1.3
218.95183	1.4
237.89662	1.5
241.05035	2.3
253.04845	1.4
271.09616	1.7
320.35754	1.4
327.34265	1.3
359.98798	1.3
387.36493	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	373.1295
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
51.92785	0.9
56.88124	0.9
59.01390	5.3
61.28661	1.1
67.65810	1.0
71.01384	2.4
73.02937	1.6
91.01914	2.1
92.42770	1.2
101.02441	2.1
108.02177	1.3
109.02962	17.9
113.02435	1.2
117.03488	1.4
121.02964	15.1
122.03775	2.4
123.00877	1.5
123.04514	2.7
124.01730	1.6
129.03445	1.2
134.03758	3.7
135.04530	1.4
136.05299	4.3
137.02444	3.5
146.03769	10.5
147.04549	48.2
148.05365	9.0
149.02469	1.8
150.03239	9.1
151.04019	3.1
158.03758	2.8
159.04549	17.5
160.05331	16.4
161.02492	1.8
161.06107	13.5
162.03256	3.9
162.06789	2.6
163.04068	5.1
164.04752	4.3
168.04306	2.6
173.06137	2.1
175.07680	16.2
177.05624	5.7
178.06334	2.6
179.03494	1.9
179.07088	1.2
193.05066	1.6
193.08688	2.8
194.01698	1.2
268.07379	11.3
269.08304	4.9
282.08936	1.2
283.09845	17.6
284.10532	26.0
285.00409	1.3
285.10892	3.3
297.11313	3.9
297.44968	1.0
299.12888	11.9
313.10828	3.2
313.71881	1.0
329.13962	100.0
330.14313	14.4
373.12961	15.1
373.18454	3.3
373.25940	1.5
374.13412	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	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03444	3.2
58.00588	3.2
59.01386	91.6
61.98829	2.5
69.03450	2.2
70.04996	4.9
70.76022	1.1
71.01390	55.6
71.05029	1.6
72.01728	1.1
72.99294	6.3
73.02943	5.5
83.01388	3.6
85.02960	15.0
87.00857	2.5
89.02457	56.4
95.01381	3.8
99.00890	1.9
101.02453	35.4
101.03110	1.8
106.72754	1.2
108.02155	1.8
113.02459	22.6
119.03519	26.8
120.88267	1.1
123.04501	1.7
129.01952	1.4
131.03542	2.4
143.03505	2.8
161.04526	1.6
179.05626	4.5
193.05066	2.4
193.12358	19.5
195.13913	3.4
211.03958	4.4
211.13402	6.9
355.17267	1.8
373.18698	100.0
374.18951	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	373.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03443	2.7
58.00587	1.4
59.01383	100.0
60.01702	1.3
61.85699	0.9
62.88947	0.8
68.98875	9.9
71.01387	34.7
72.99306	2.3
73.02951	13.1
81.07113	1.1
83.01386	5.4
85.02958	15.1
86.00085	2.4
87.00871	3.0
89.02450	18.2
89.45591	1.0
90.02812	0.9
95.01425	2.3
99.00875	2.7
101.02455	25.9
111.23610	0.9
112.26797	1.0
113.02468	14.3
119.03500	8.1
125.02441	2.9
130.08760	1.3
141.48253	0.9
143.03484	1.8
150.38861	1.0
159.06642	2.2
161.04573	6.0
161.05681	1.1
165.09204	1.6
179.05608	2.2
209.08241	4.8
210.08517	3.0
211.08714	3.4
211.13387	2.0
223.60645	1.2
271.02563	1.1
285.00470	1.5
285.03983	1.7
314.00894	1.0
314.04276	3.4
329.06619	2.7
373.02090	4.5
373.18692	57.1
374.19171	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	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03432	0.9
58.00581	3.7
59.01384	100.0
60.01720	0.9
69.11919	4.2
69.12325	2.2
71.01385	53.9
72.01715	0.9
72.99303	4.4
83.01402	2.8
85.02961	10.7
87.00906	1.4
89.02453	61.6
90.02799	1.9
90.43291	1.0
95.01410	4.0
98.09982	0.8
98.47049	0.8
101.02451	36.3
102.02769	1.0
105.72875	0.8
108.94361	0.8
113.02464	20.7
119.03516	33.3
131.03543	1.9
143.03545	2.3
149.04515	1.8
161.04564	1.6
171.51321	0.8
179.05617	2.5
187.25967	0.8
193.12332	7.2
224.54156	0.7
373.18683	32.2
374.19046	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	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01382	100.0
62.13441	1.1
69.20390	1.2
70.31497	1.0
70.80763	2.3
71.01379	4.0
73.53021	1.0
80.22581	1.0
85.02908	1.0
89.02441	4.9
101.02443	1.4
103.78355	1.1
114.08677	1.0
119.03531	2.6
123.07086	1.0
125.02466	1.2
127.75484	1.2
165.09221	1.6
179.83781	1.1
209.08144	2.8
210.08426	1.5
211.08759	2.2
237.93585	0.9
285.00345	1.4
314.00714	1.3
328.95999	1.1
372.92337	1.1
373.01920	1.9
373.26126	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	373.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93225	1.0
57.03445	3.1
59.01373	2.4
60.58688	0.7
62.10130	0.7
69.20189	0.6
69.30217	5.9
70.73842	0.7
71.01378	0.7
71.05030	0.7
73.02953	0.8
79.18301	0.9
83.05061	1.2
93.07094	2.2
98.22035	2.4
110.12859	0.8
123.08145	1.2
183.13924	6.9
185.11844	14.1
199.13371	1.8
199.86417	0.7
201.14886	1.0
225.14951	5.4
244.99400	0.8
285.20862	3.8
313.23773	1.7
325.23813	3.3
343.24890	5.5
344.24997	0.9
355.24979	1.1
373.25980	100.0
374.26361	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	373.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60076	0.9
53.37089	0.8
54.01939	0.8
57.03449	1.1
57.74578	0.8
59.01384	100.0
60.01709	1.4
63.11946	0.9
69.89759	4.5
84.90965	0.9
97.06585	4.0
98.21901	1.1
111.08189	2.4
113.09707	1.3
123.08164	12.0
124.08570	0.9
131.57602	0.9
139.11325	1.1
141.09172	1.6
141.12859	4.7
152.08444	2.1
170.83687	0.9
171.13905	3.7
200.14224	1.3
262.72766	0.9
277.21738	13.1
278.22083	1.1
295.22781	8.9
296.23196	1.4
313.23929	1.0
373.25983	72.5
374.26434	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	373.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00591	0.6
59.01376	0.7
60.05400	0.3
70.61367	0.9
73.02934	0.8
85.02960	0.6
87.04527	0.9
97.06603	0.8
121.10224	1.6
123.08166	1.1
125.09740	1.2
127.11330	0.7
130.67751	0.3
137.09750	0.4
138.50819	0.3
139.11324	2.2
141.09212	0.3
141.12869	1.2
151.11342	0.3
155.10854	0.4
157.12366	1.9
157.88805	0.3
162.45041	0.3
167.10797	0.4
169.12349	1.4
171.10278	1.2
175.31242	0.4
185.11841	4.2
197.11801	0.3
201.11430	0.4
213.11385	0.8
214.12001	0.6
215.12897	10.5
216.13367	0.7
256.00360	0.3
295.22882	0.4
299.01892	0.4
307.22745	0.4
308.16623	0.4
313.23904	1.2
325.23898	1.0
341.23328	1.0
342.23712	0.3
343.24908	9.2
344.25275	1.1
355.24985	2.9
356.24915	0.4
371.24512	1.3
372.25085	0.4
373.25980	100.0
374.26315	13.4
376.30457	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	374.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.2
71.01394	12.2
84.77532	8.7
85.02934	15.2
88.98841	7.7
110.00210	9.5
122.63097	9.5
125.02448	30.6
128.96809	14.2
137.99664	9.6
151.00436	11.8
153.01959	100.0
153.30121	9.0
167.03539	16.6
168.04262	55.7
169.01427	19.0
169.05042	21.0
200.91943	7.8
217.00301	11.7
331.10318	37.3
374.98413	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	374.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01728	14.0
62.81745	13.4
69.06741	70.4
69.07168	56.3
71.01393	53.2
85.02986	14.7
89.02454	74.2
90.02776	14.9
101.02454	33.5
107.00136	15.6
108.02155	39.0
113.02493	30.7
115.11946	12.7
119.03521	42.9
143.03404	15.6
256.63168	16.4
269.53711	13.8
374.19043	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05947	30.4
56.05676	30.0
56.56215	32.1
56.95879	28.3
58.89877	31.4
64.64404	31.5
66.92736	27.2
69.67483	61.4
69.67889	98.1
77.44860	34.6
87.69047	38.6
92.85838	32.8
98.22504	33.8
100.82069	33.7
106.38423	28.1
114.05611	33.5
133.61958	36.0
152.03552	50.4
161.02490	44.9
171.41676	32.9
173.02176	28.9
175.04150	34.1
189.02182	35.1
201.01988	33.6
203.03490	33.3
235.06209	31.1
275.02167	46.3
286.00681	45.3
289.07141	41.1
300.99811	100.0
321.78201	34.0
375.01859	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35794	42.4
61.28064	51.5
70.45686	100.0
80.42483	54.8
116.21150	50.6
153.34329	52.0
163.64217	46.6
335.92093	44.9
350.46536	51.8
394.65781	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63844	9.4
59.01376	21.1
69.53854	52.2
71.01412	22.3
86.00095	8.0
89.02454	22.4
93.03468	44.2
97.73179	9.0
98.22270	27.3
125.02479	19.1
131.37415	9.8
135.31584	9.4
137.02477	100.0
163.21335	7.8
163.36484	8.5
169.01399	15.7
175.03979	9.7
180.63522	8.5
207.87512	10.9
247.02260	10.3
253.44617	9.4
293.15359	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	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73418	14.8
56.12615	17.9
65.15353	15.0
69.57127	100.0
118.43162	16.0
146.90500	15.1
266.83096	17.0
374.19119	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35390	15.3
53.34214	16.4
59.01374	53.6
69.49078	100.0
71.01397	21.6
75.67226	17.3
76.95341	13.6
78.80553	13.5
85.02985	15.8
98.21837	31.7
101.02454	33.6
111.64194	16.8
113.09789	17.3
145.36499	17.7
165.82411	17.3
171.00883	15.1
194.05331	18.0
204.32675	17.3
325.58719	15.5
331.17813	16.8
349.16074	19.9
370.18628	16.5
374.19412	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21527	0.3
51.50993	0.3
52.04703	0.3
59.01369	0.5
66.70291	0.3
66.94211	0.3
69.62927	0.7
69.63345	1.4
77.91022	0.3
78.14237	0.3
101.06085	1.1
106.47097	0.3
106.95793	0.3
115.52874	0.4
124.07726	0.6
173.68010	0.3
174.99129	0.4
189.10335	0.4
215.95963	0.5
217.00345	0.8
218.75214	0.4
232.10915	10.2
233.11308	0.7
289.17987	2.0
290.18814	2.5
311.46222	0.4
316.16797	1.7
331.18481	0.4
357.78537	0.4
358.21442	0.7
374.24503	100.0
375.24823	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	375.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.2
71.26792	1.4
71.27200	1.3
74.71754	1.1
78.21371	1.3
94.28355	1.2
126.32813	1.2
189.99103	3.3
201.99083	1.6
207.79533	1.5
215.05766	1.2
217.00197	6.7
217.98660	1.7
245.98109	11.9
301.96991	7.4
312.96475	1.6
326.98099	2.3
329.96570	92.3
330.96924	8.6
344.98886	100.0
345.99225	8.8
360.01251	87.4
361.01599	6.7
374.98853	2.8
375.03604	53.8
376.03906	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	375.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31283	5.2
58.23686	4.8
59.01377	24.1
63.53350	4.9
63.96236	22.1
64.96583	4.8
71.26736	6.2
71.27073	5.8
79.95748	38.5
96.95982	6.7
105.52694	5.3
128.32927	5.2
132.32648	4.8
150.46378	5.8
158.19209	5.5
217.00319	40.3
245.98209	5.9
246.41052	5.7
329.96564	96.7
330.96811	6.4
342.00119	7.5
344.95016	8.4
344.98920	100.0
345.99222	6.0
356.60349	5.4
360.01236	79.5
361.01593	12.9
375.03531	94.3
375.18387	19.1
376.03683	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	375.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03452	9.3
59.01378	6.5
65.21006	1.2
71.01392	6.8
71.27160	2.1
72.99274	2.5
73.02940	1.6
75.00863	2.2
76.82841	1.3
83.01402	5.0
84.02171	1.7
85.02960	50.9
86.03291	1.5
87.00847	2.5
89.02455	1.7
92.06628	1.2
101.02454	7.6
111.00890	29.2
113.03598	1.4
124.01721	2.6
125.02451	19.6
128.03549	2.0
129.01952	14.0
130.33212	1.3
147.03029	3.0
149.02458	1.4
151.00378	4.7
151.03970	1.8
165.05722	1.9
168.00633	4.3
169.01442	23.4
169.90746	1.3
170.01834	1.3
178.23891	1.2
191.02026	2.0
192.90022	1.3
195.14754	1.3
198.03831	1.4
205.03539	26.6
206.03810	1.6
209.03029	8.3
216.01944	1.3
223.04604	100.0
224.04884	3.8
313.05856	1.7
314.90170	1.3
331.06723	4.6
375.05692	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	375.0571
Annotation	Mucic acid 6-methyl ester 2-O-gallate
Peak:m/z	Relative Intensity
52.25162	1.8
55.01860	2.4
57.03453	11.2
59.01373	6.8
70.30260	7.3
71.01379	6.0
83.01376	6.2
85.02962	48.0
87.00893	3.9
101.02451	4.5
107.01392	3.6
111.00908	21.2
123.00919	3.2
124.01663	11.5
125.02460	76.7
126.02792	3.4
129.01941	8.9
146.40337	2.1
147.03026	3.2
150.03172	5.0
151.00380	15.6
152.90025	2.1
161.04541	2.3
164.83923	2.3
164.86990	1.9
165.05551	11.2
167.64140	1.9
168.00673	10.2
169.01447	100.0
170.01747	5.0
187.02295	2.0
191.01990	3.8
195.06631	2.7
199.96613	1.9
205.03532	20.7
209.03026	3.2
223.04611	88.2
331.06738	22.6
375.05685	54.5
375.10327	3.9
376.06036	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	375.057
Annotation	Mucic acid 1-methyl ester 2-O-gallate
Peak:m/z	Relative Intensity
57.03440	6.9
59.01372	6.5
60.38176	2.0
69.02222	1.8
69.02525	17.0
71.01381	6.2
72.99303	2.1
75.00858	2.2
85.02963	60.5
86.03299	2.0
87.00860	1.7
89.02470	2.7
96.24429	1.5
98.22608	2.8
98.45032	1.6
103.00406	1.5
107.01383	3.5
108.63141	1.5
111.00891	4.8
123.00925	2.8
124.01669	21.3
125.02467	61.2
129.01976	6.0
133.01471	2.0
139.00406	4.9
139.04143	1.5
147.03044	4.5
149.99594	6.9
151.00392	17.1
152.03609	2.1
168.00662	33.9
169.01439	100.0
170.01755	2.8
173.00970	1.7
183.03036	2.3
191.02011	24.2
209.03043	47.5
223.04648	7.4
258.11288	1.5
313.05600	11.1
331.06683	25.4
332.07010	2.4
375.05716	55.3
376.06021	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	375.1817
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
58.34334	2.3
59.01382	9.3
78.95908	15.0
79.22801	2.5
90.83689	2.2
94.82652	1.8
133.02954	17.0
135.04544	20.8
161.02455	100.0
162.02710	4.0
174.99205	4.2
179.03516	8.4
213.14957	9.8
217.00288	11.4
270.93991	2.4
375.18231	32.6
376.18497	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	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64047	0.5
57.88829	0.6
58.63388	0.6
67.48290	0.6
70.58718	1.5
70.59054	0.7
74.99068	3.3
90.83823	0.7
93.00188	1.0
159.08484	10.7
160.08577	0.8
161.06406	2.7
209.01276	2.7
261.04407	0.6
277.07623	2.6
277.78244	0.6
289.07556	1.9
291.09131	97.1
292.09232	16.1
309.10315	1.3
318.97952	0.9
357.13956	1.8
359.15390	100.0
360.15543	18.7
375.18448	7.6
376.18610	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	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29396	0.7
52.31361	0.7
60.97521	0.8
69.68725	2.1
69.69136	1.8
69.99059	0.7
73.51305	0.8
74.99087	6.8
75.37575	0.7
80.61377	0.7
90.12852	0.8
93.00156	1.8
98.22525	0.8
131.82820	0.7
143.05313	1.4
149.00975	1.9
159.08473	13.8
161.06369	6.1
209.01337	3.9
217.07283	2.5
227.02266	0.8
275.06061	1.8
277.07559	5.7
289.07523	3.7
291.09119	100.0
292.09265	16.2
357.13779	4.1
359.15375	94.9
360.15552	16.6
375.18619	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	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37687	0.7
55.01881	0.8
58.00587	1.4
59.01384	41.3
60.01694	0.6
65.66031	0.6
66.26682	0.6
69.93123	2.6
71.01386	25.4
72.99297	2.7
73.02944	1.2
83.01393	3.1
85.02962	6.3
87.00896	1.4
89.02452	21.4
95.01405	1.5
101.02455	15.6
105.03419	0.6
110.94738	0.7
113.02458	7.2
113.03166	0.8
119.03517	7.3
174.99339	1.2
183.13950	1.2
195.13924	9.7
213.14941	4.6
217.00351	3.7
276.80652	0.8
283.25897	0.8
289.45227	0.8
351.74814	0.9
375.20285	100.0
375.27795	2.7
376.20575	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	375.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.71238	2.8
71.01377	3.1
85.71510	0.9
94.43397	0.9
101.02408	1.5
113.02451	1.2
161.04582	2.5
174.77441	1.0
174.99234	1.2
217.00323	3.5
218.38179	0.9
307.87906	0.9
382.30261	1.0
390.47617	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93581	4.1
57.03434	4.9
59.01389	49.9
69.03278	4.8
69.24327	37.9
71.01383	23.6
72.99289	5.7
83.01416	5.2
85.02961	12.3
86.67181	4.2
89.02460	19.7
92.46999	5.1
98.21970	14.2
98.22525	4.7
101.02462	14.7
113.02409	5.0
119.03523	6.8
125.02406	6.6
143.04150	4.0
169.01466	8.0
174.99194	4.6
195.14015	7.3
215.37149	4.1
217.00244	24.6
219.02802	4.8
229.01274	5.9
339.33005	5.3
359.39056	4.5
375.20264	100.0
375.27518	5.8
376.20749	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	61.4
61.98830	22.6
70.27016	15.8
71.26064	22.9
76.20261	15.3
91.82974	14.4
95.05061	27.8
95.12507	14.0
97.40816	13.5
99.92593	39.0
116.92880	21.0
149.67604	17.3
160.71692	14.7
217.00336	33.4
278.11441	80.7
293.21335	100.0
298.90482	15.9
315.19354	24.0
395.36514	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	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04734	0.5
54.51189	0.6
56.07589	0.6
57.03456	1.5
58.00599	2.9
59.01391	7.2
62.23249	0.6
63.83096	0.6
64.73315	0.5
69.03484	0.8
71.01392	4.6
71.05001	1.7
72.02159	0.7
73.02952	33.4
83.01346	0.6
83.05010	0.7
85.02955	1.9
87.04517	5.1
89.02454	2.3
95.01403	0.8
95.05035	0.9
97.06615	2.2
98.03757	0.9
98.21696	1.4
99.04551	1.3
101.02471	1.1
101.06061	0.7
107.05016	1.2
107.08679	0.6
108.02209	3.0
111.08173	2.1
113.09737	5.6
119.03493	0.8
121.02959	1.6
121.10255	21.9
122.10591	1.5
123.00869	1.3
123.08179	5.5
125.02401	0.6
125.09739	5.2
135.08131	0.8
137.02406	0.8
137.09744	7.2
139.11292	0.8
141.09250	3.2
143.10794	7.4
147.08154	1.1
149.09673	1.2
151.07637	0.6
151.11307	9.9
152.11540	0.7
153.09233	6.3
155.10768	2.2
157.12364	2.0
161.09734	1.6
165.09268	3.0
167.10748	4.1
169.01395	1.2
169.12340	3.2
171.13879	0.7
173.11818	2.1
179.10797	8.2
181.12344	1.8
185.11772	1.1
187.13432	6.7
189.01959	0.8
191.03458	1.0
195.10298	6.2
196.10750	0.7
199.13449	2.2
203.12849	1.6
215.12865	2.1
216.13725	1.4
217.00316	1.1
217.14458	100.0
218.14810	6.5
245.00917	1.0
247.02551	1.1
273.00510	0.8
287.64325	0.6
313.23962	0.7
315.25430	6.9
316.25711	0.8
345.26566	1.4
357.26471	1.9
373.25888	1.6
375.27539	54.5
376.27917	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	375.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26479	0.4
57.03445	1.3
59.01368	1.7
65.55486	0.3
69.19094	3.2
87.04520	1.0
97.06609	0.6
108.47784	0.4
109.06630	0.4
112.91112	0.3
113.09769	0.4
123.08157	1.7
125.09721	0.4
134.46489	0.4
135.08183	0.7
139.11310	1.0
141.12868	0.4
153.09218	0.7
157.12332	1.9
169.12355	1.2
185.11845	3.0
215.12912	1.6
217.00333	1.3
327.21881	0.4
327.25339	0.6
329.23352	3.4
330.23883	0.5
339.25327	0.8
355.99246	0.5
357.26489	4.2
358.26804	0.7
373.26010	3.0
375.27536	100.0
376.27917	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	376.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	4.0
59.01386	52.5
59.40392	2.9
60.01705	6.4
61.59678	2.9
66.32713	2.7
69.13004	16.9
69.13433	10.8
71.01377	26.6
71.77202	3.1
72.01736	5.1
85.02977	2.7
89.02465	23.7
90.02808	3.2
95.01370	4.5
101.02452	13.8
102.02797	3.9
113.02473	4.3
119.03532	5.6
121.02969	5.0
125.02448	3.2
128.54063	3.1
147.38380	2.9
168.00716	4.9
169.01369	6.8
190.02847	3.1
196.14302	4.6
215.10132	3.1
217.01373	3.3
376.20587	100.0
377.20987	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	377.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03448	11.3
59.01390	7.4
68.73679	1.0
70.77776	1.3
70.78112	2.2
71.01388	6.5
71.56390	0.9
72.99310	5.3
75.00864	1.6
83.01384	4.1
84.02161	3.2
84.69116	1.2
85.02957	100.0
86.03293	3.3
87.00851	1.3
93.03490	1.1
95.01400	2.7
101.02441	2.1
103.00366	2.0
103.76763	0.9
111.00854	1.3
115.00378	3.5
115.12072	0.9
117.03461	1.1
119.05035	5.6
120.08768	1.1
123.00830	4.0
125.02457	4.5
128.49001	1.0
129.01921	1.1
133.02974	1.3
139.00143	1.0
141.01727	2.0
145.02974	3.8
147.03003	10.4
147.04466	1.7
161.02493	1.5
163.02773	1.3
163.03992	5.1
166.99706	1.5
169.01401	6.0
173.00990	2.1
173.02477	1.8
175.03946	1.4
185.02299	2.0
189.01933	2.0
191.01982	32.3
191.03423	2.2
201.01924	1.0
202.55513	1.0
203.03575	2.2
213.00172	27.0
217.01320	2.6
229.01410	3.2
231.01176	3.8
245.00967	2.7
247.02472	4.7
257.01035	1.6
261.00406	1.9
271.02448	1.1
273.00397	4.1
275.02026	7.8
276.02103	1.3
300.99921	3.9
305.03525	1.0
306.12662	1.2
333.05865	1.3
363.03433	1.5
377.03629	5.8
377.19443	1.5
378.04422	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	377.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28134	1.9
55.01883	2.5
55.34014	2.0
56.51018	2.2
57.03443	10.9
58.00603	2.5
59.01377	21.2
61.54717	1.8
65.00352	2.2
71.01393	17.3
71.26559	2.7
72.99319	28.6
75.00877	10.8
75.40813	1.9
83.01160	7.4
84.02179	6.7
85.02959	82.5
87.00896	5.4
89.02471	3.9
95.01396	10.6
99.00920	1.8
103.00358	2.9
111.00867	4.0
115.00239	2.5
117.03418	2.9
119.05038	15.8
121.02960	2.7
123.00888	14.0
125.02466	14.6
129.90608	1.9
133.01445	4.3
133.02980	3.7
135.04478	3.7
139.00311	2.9
141.01711	61.7
142.02014	2.7
145.02974	10.6
147.03047	6.8
147.04543	6.2
151.00270	2.2
154.99641	13.2
159.04550	2.9
161.02490	7.2
163.00301	2.5
163.03976	15.0
165.02023	2.0
166.99757	2.5
169.01434	9.6
170.99112	2.5
171.04649	2.1
173.02420	7.7
174.03064	2.3
175.04034	8.8
177.01945	6.0
177.05527	2.5
185.00800	2.6
185.02298	5.6
187.04146	2.1
189.01901	6.5
190.02740	3.6
191.01990	29.1
191.03549	10.4
201.01921	11.5
203.01933	2.4
203.03566	12.9
213.00160	39.3
213.01653	2.4
217.01450	10.3
217.05019	2.0
219.02972	7.3
221.04617	2.3
229.01434	19.6
230.02002	4.3
231.01208	100.0
231.02974	5.3
232.01619	4.1
245.00963	11.9
246.01242	2.2
247.02493	29.4
248.02921	3.8
249.04045	4.0
256.98810	2.3
257.01117	3.3
258.01752	4.8
273.00418	13.9
274.01175	3.8
275.01984	41.4
276.02377	5.1
283.99588	2.1
291.01321	2.5
300.99875	43.1
301.03177	2.3
302.00461	3.3
333.02597	3.5
363.03659	3.2
363.53775	2.3
368.02759	2.4
377.03412	30.8
377.53458	11.0
378.03888	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	377.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03450	10.9
59.01380	7.2
69.69541	1.0
71.01389	7.2
71.27165	1.0
71.27524	1.5
72.99312	6.5
75.00869	2.8
83.01396	3.3
84.02178	6.0
85.02958	100.0
86.03268	2.3
87.00906	1.0
89.02470	1.0
96.96988	1.5
101.02444	1.2
103.00392	1.3
105.57528	0.8
111.00888	1.0
115.00387	2.9
117.03492	1.1
119.05041	4.5
121.02952	1.1
121.59200	1.0
123.00822	4.1
124.42989	0.9
125.02435	3.4
141.01787	2.6
145.02983	3.2
147.03024	10.7
147.04248	1.4
147.04570	1.3
154.99770	1.0
161.02452	2.0
163.04039	4.7
166.99843	1.4
169.01411	4.8
173.00951	1.8
173.02504	2.2
175.03964	2.0
185.02263	2.8
189.01974	1.8
190.02620	1.1
191.01988	31.2
191.03522	2.0
192.02390	1.0
201.01950	1.3
203.03581	1.8
205.01443	1.1
213.00179	23.9
213.12457	1.4
214.00600	1.4
217.01483	1.9
229.01447	3.5
231.01230	2.2
245.00871	3.5
247.02472	4.6
256.00061	1.1
257.00876	1.9
273.00403	3.3
274.00845	1.7
275.01917	9.0
291.01691	1.2
300.99832	4.5
333.02505	1.4
333.06210	1.3
377.03915	3.7
377.19727	1.3
377.53574	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	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25906	4.7
53.86385	4.6
59.01387	30.9
69.28978	7.1
69.29385	31.0
71.01373	28.2
78.95950	5.7
85.02954	7.4
89.02449	25.0
95.23161	5.2
101.02463	15.1
113.02467	7.9
119.03544	8.3
123.00928	6.9
125.02416	6.0
161.04561	14.4
179.05621	26.7
191.01959	8.1
285.49585	5.1
341.10916	100.0
342.11237	9.0
377.08691	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	73.3
66.25968	1.1
68.17874	1.4
69.03452	1.6
69.10064	9.0
79.81958	1.1
97.06586	1.5
98.22637	1.9
107.01411	13.8
123.00871	5.8
125.02456	52.3
126.02791	1.3
127.51648	1.1
139.00429	1.9
146.90202	1.0
147.08156	3.3
151.00414	3.5
165.09187	1.3
167.03571	2.3
169.01445	57.4
170.01744	2.1
177.31348	1.1
181.01447	2.4
181.12456	1.4
217.10559	1.2
225.11331	74.6
226.11720	5.9
245.67918	1.1
317.10281	11.7
318.10547	1.7
359.11423	10.4
377.12436	100.0
378.12720	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	377.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52784	0.4
57.03453	0.8
58.13305	0.4
59.01384	62.5
60.01763	0.5
60.70882	0.5
67.01900	1.0
69.03452	0.9
70.86977	0.4
71.26957	0.9
79.01895	0.6
81.03470	0.9
95.01398	1.4
97.02979	1.0
97.06599	4.5
99.30870	0.5
107.01398	13.0
111.00866	0.7
120.01263	0.9
121.03001	0.5
123.00903	7.8
124.01727	1.1
125.02459	49.3
126.02812	1.9
128.63484	0.4
135.08182	1.5
136.98775	0.5
137.02457	0.7
139.00407	2.0
139.04051	0.6
140.01169	1.6
141.01991	0.6
147.08223	3.2
151.00389	5.4
161.02464	0.6
163.00383	0.6
163.11334	0.9
165.09184	1.0
167.03473	0.6
168.00742	0.6
169.01445	52.4
170.01787	2.1
174.66133	0.5
181.01453	2.9
181.12418	0.9
191.03514	0.9
199.97908	0.7
207.10263	0.7
219.03130	0.6
225.11337	59.4
226.11668	4.0
229.01479	0.8
247.02460	1.7
257.01251	0.4
257.04568	1.5
273.00723	0.5
275.02014	1.3
300.99835	1.4
317.10349	10.2
318.10657	0.7
333.13345	0.8
359.11429	10.7
360.11783	1.3
377.12439	100.0
378.12805	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	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.9
59.01118	3.0
59.01378	25.4
66.47380	1.9
68.99812	4.3
71.01389	33.6
71.27508	4.0
72.99310	10.2
73.02948	4.6
75.00884	30.7
77.50123	2.2
83.01397	2.9
85.02961	41.1
87.00890	17.4
89.02454	9.4
93.03460	3.1
95.01395	7.9
99.00892	20.5
103.00375	4.6
113.02462	57.2
115.00404	4.3
117.01941	6.4
119.05031	2.4
121.79192	2.2
123.00866	2.5
125.02454	7.3
127.07668	43.6
128.08032	2.4
129.01935	4.8
130.08699	2.6
133.02928	2.1
137.02425	4.0
145.03004	4.8
149.02530	2.4
157.01418	2.0
161.02460	6.3
162.02977	2.6
163.03984	3.5
169.01450	11.7
173.02585	2.3
175.02463	6.3
175.03917	4.7
189.01942	4.0
191.03531	8.4
192.03932	2.0
203.03464	3.1
205.01314	2.1
205.07181	6.3
217.01460	3.4
219.02985	2.6
221.04559	3.0
229.01472	5.3
231.05173	2.8
235.02560	2.0
245.00890	5.2
246.01244	2.1
247.02530	17.5
248.02882	8.7
249.06161	45.6
261.00574	3.2
263.02051	2.3
267.07239	100.0
268.07532	6.0
273.00449	5.4
274.00723	4.6
275.02127	2.9
300.99841	3.5
302.00217	1.9
348.53162	3.5
359.13663	2.7
376.52811	2.7
377.02936	2.9
377.07318	3.6
377.14554	81.2
377.25580	2.5
378.14886	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	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.9
59.01118	3.0
59.01378	25.4
66.47380	1.9
68.99812	4.3
71.01389	33.6
71.27508	4.0
72.99310	10.2
73.02948	4.6
75.00884	30.7
77.50123	2.2
83.01397	2.9
85.02961	41.1
87.00890	17.4
89.02454	9.4
93.03460	3.1
95.01395	7.9
99.00892	20.5
103.00375	4.6
113.02462	57.2
115.00404	4.3
117.01941	6.4
119.05031	2.4
121.79192	2.2
123.00866	2.5
125.02454	7.3
127.07668	43.6
128.08032	2.4
129.01935	4.8
130.08699	2.6
133.02928	2.1
137.02425	4.0
145.03004	4.8
149.02530	2.4
157.01418	2.0
161.02460	6.3
162.02977	2.6
163.03984	3.5
169.01450	11.7
173.02585	2.3
175.02463	6.3
175.03917	4.7
189.01942	4.0
191.03531	8.4
192.03932	2.0
203.03464	3.1
205.01314	2.1
205.07181	6.3
217.01460	3.4
219.02985	2.6
221.04559	3.0
229.01472	5.3
231.05173	2.8
235.02560	2.0
245.00890	5.2
246.01244	2.1
247.02530	17.5
248.02882	8.7
249.06161	45.6
261.00574	3.2
263.02051	2.3
267.07239	100.0
268.07532	6.0
273.00449	5.4
274.00723	4.6
275.02127	2.9
300.99841	3.5
302.00217	1.9
348.53162	3.5
359.13663	2.7
376.52811	2.7
377.02936	2.9
377.07318	3.6
377.14554	81.2
377.25580	2.5
378.14886	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	377.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04016	0.8
61.98827	1.1
70.58482	0.8
70.58811	1.9
82.64136	0.9
93.03465	2.1
94.72169	0.8
95.01398	2.9
95.05043	0.9
97.02952	0.9
103.03913	0.8
107.01395	3.5
111.00874	1.4
121.02974	8.2
122.03723	3.1
123.00912	11.1
124.01682	14.9
125.02462	16.7
132.02242	0.8
133.02936	0.8
135.04497	0.9
137.02478	0.8
138.03256	1.6
139.00403	2.8
139.04024	9.8
140.01135	1.4
147.04465	1.3
149.02451	100.0
150.03247	24.3
151.00357	1.0
151.03584	1.5
164.04805	16.2
165.05583	23.9
166.06261	3.0
166.99825	2.3
167.07123	5.6
168.00656	2.6
169.01450	19.1
180.04298	2.1
181.08777	1.1
185.00841	1.0
195.06621	12.4
222.14937	0.8
224.27518	1.0
232.02997	9.7
283.09717	2.5
302.05420	19.1
308.03717	4.1
314.11658	30.2
315.11996	2.8
329.13953	85.8
330.14294	11.6
377.18118	1.4
378.05951	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	377.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28674	0.4
55.01879	1.0
57.03442	1.2
58.00597	0.9
59.01387	17.4
69.01327	0.7
69.01729	2.9
71.01389	15.4
72.02145	0.4
72.99323	1.2
73.02953	5.7
83.01364	1.9
85.02953	5.3
87.00884	1.1
87.04512	1.2
89.02455	5.6
95.01381	1.3
98.22535	0.9
99.00873	1.1
100.70440	0.4
101.02451	7.7
103.39697	0.3
113.02468	4.1
118.60516	0.3
119.03510	1.9
124.01681	0.4
125.02467	1.2
125.09716	2.0
155.10812	0.8
169.01457	0.9
169.12398	2.7
197.11819	6.0
215.12892	17.8
216.13214	1.3
228.95380	0.3
247.02419	0.7
300.99911	1.1
359.17072	2.3
377.18201	100.0
378.18521	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	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52471	1.1
52.61795	1.2
56.92388	1.4
59.01131	1.6
59.01387	20.2
70.91355	2.8
96.96030	2.5
99.92556	1.6
106.06765	1.2
117.14786	1.3
159.01489	1.4
169.01350	1.4
171.10280	34.2
172.10696	1.8
183.10210	2.0
209.08034	1.9
241.99762	1.4
265.14825	2.8
277.21759	35.8
278.22061	4.8
295.22787	100.0
296.23093	12.1
317.20993	34.6
318.21152	3.8
357.35934	1.4
361.19952	3.3
377.23053	20.3
378.15128	2.0
378.23264	2.5
393.04578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29281	22.5
59.01383	27.7
61.98833	85.4
71.27353	47.9
71.82343	26.9
78.38906	27.5
93.55537	31.9
108.03057	28.5
116.77727	26.1
135.04552	40.8
161.02451	92.8
169.01456	48.6
287.33060	30.4
300.02719	72.9
315.05115	100.0
316.05170	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	14.5
59.01385	3.3
66.03512	2.3
69.51305	8.7
71.01366	3.2
72.00893	3.1
74.02478	24.5
75.67406	2.0
81.04590	2.9
82.03008	4.2
86.02480	14.3
87.00880	35.9
87.05648	5.8
87.41562	1.9
96.04562	2.4
97.04098	2.6
99.05664	23.4
101.02412	3.0
101.07211	8.8
102.05639	2.5
105.03819	22.2
107.01424	2.9
107.06150	2.8
109.04085	6.0
111.05657	3.6
112.04050	6.2
123.00874	3.7
125.02470	14.7
125.03322	2.7
127.05141	3.9
128.03551	71.3
130.99866	2.4
135.05638	5.9
141.06693	2.7
143.04637	100.0
145.02982	2.0
145.06374	2.6
146.04610	9.8
147.04518	4.9
153.06699	6.7
163.00398	6.2
166.09909	2.3
167.04626	4.6
167.08276	6.9
169.01427	19.0
170.03352	2.6
171.04256	4.9
173.02463	4.8
175.04007	5.6
176.81908	2.0
179.04646	24.3
181.06209	2.7
182.56277	2.0
185.02574	2.1
185.05714	3.3
191.03485	10.4
197.05670	6.6
203.03499	7.9
210.08842	25.1
217.05196	4.5
219.03020	9.4
229.01491	2.7
247.02496	73.1
249.04042	4.4
249.09174	7.4
254.07843	41.6
255.08011	2.4
258.01642	6.4
272.08893	43.8
273.04041	28.2
275.01978	24.4
303.04337	6.5
317.03098	25.2
360.12274	7.8
378.13434	49.0
379.03085	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	379.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
71.01381	1.1
71.12464	1.3
71.12823	0.8
79.46916	0.7
85.02966	1.1
87.00887	58.8
87.89275	0.7
88.01196	0.7
95.01418	0.8
95.05048	0.9
104.37075	0.8
107.01394	0.8
111.00900	1.0
112.98845	1.5
119.05029	1.3
121.06599	0.9
123.00864	0.9
125.02504	3.5
130.99908	3.4
131.05070	1.6
133.03008	1.0
143.05035	1.6
145.02954	1.8
145.06593	1.6
146.08279	1.1
147.04529	2.8
155.51204	0.7
157.06578	1.0
158.03752	1.1
159.04533	2.0
161.06085	1.0
163.00365	2.8
163.03998	2.2
169.01428	6.1
171.04504	2.5
173.02518	3.6
173.06075	2.3
174.03113	0.9
175.04012	6.1
177.01926	1.4
183.04607	1.0
190.02710	1.9
191.03519	11.5
196.44664	0.8
199.04033	1.8
201.01910	1.4
201.05618	4.4
202.02672	1.7
203.03494	3.3
205.01402	0.9
206.02356	0.9
206.99463	0.7
214.02798	1.5
215.03593	1.1
216.04233	0.8
217.01561	0.9
217.05098	4.5
219.03030	15.3
227.03540	2.0
229.05049	2.4
230.02124	1.7
231.02965	1.7
243.02998	0.9
245.04543	3.8
247.02490	100.0
248.02835	6.3
249.03909	1.6
250.01312	1.0
257.00983	1.1
258.01675	7.1
259.02155	1.2
271.02371	1.6
273.04068	45.9
274.04352	4.3
275.01993	7.2
276.02441	0.8
299.01889	0.8
303.04404	1.5
317.03043	37.6
318.03391	3.7
329.35013	0.7
331.06796	1.0
343.00922	1.1
361.01965	2.2
379.03070	12.2
379.07455	0.8
379.12979	1.3
379.17545	6.9
380.03714	1.1
380.15689	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	379.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58035	0.7
60.90592	0.7
62.10881	0.6
64.99368	0.6
68.99844	1.3
69.05814	1.7
69.06232	4.5
74.36219	0.6
93.03462	7.6
96.95998	0.7
98.56226	0.7
100.64539	0.5
105.03434	0.8
106.04253	0.8
108.02219	1.9
109.02963	3.7
111.00900	1.4
117.02665	1.1
117.03484	20.3
118.03803	0.8
119.05042	28.8
121.02978	3.6
121.10074	0.6
123.00925	0.7
123.04533	2.1
125.02478	2.4
130.04272	0.8
132.02173	1.6
133.02982	8.9
133.06598	1.1
134.03757	98.5
135.00923	1.8
135.04573	27.1
136.04816	0.8
137.02475	6.6
139.04024	2.8
143.05045	16.7
144.05476	0.9
145.02968	59.3
146.03352	2.2
148.05360	2.9
149.02487	1.4
149.06091	49.3
150.03268	1.1
150.06438	2.7
155.05037	1.9
156.05830	11.5
157.06602	17.4
158.03731	3.7
158.06970	0.6
159.04477	4.4
159.08168	8.5
160.01680	8.5
160.08430	0.8
161.02463	26.2
161.06107	0.9
162.03189	3.7
163.03798	0.8
169.01425	2.2
169.06599	1.7
170.07564	0.7
171.04541	2.4
172.05292	1.7
173.02518	3.4
173.05995	3.1
174.03239	16.7
175.04018	17.9
176.04521	0.9
183.04471	1.0
184.05299	1.9
185.02525	1.1
185.06084	19.5
186.06458	1.5
187.04008	16.9
188.04384	1.7
189.05550	1.7
191.07178	2.3
194.02196	6.6
197.06122	2.4
198.06883	4.5
199.04015	14.3
199.07539	1.5
200.04762	3.3
201.05585	3.3
202.06348	1.0
203.03362	1.5
203.07144	3.4
209.06163	1.1
210.07063	0.8
211.04076	1.9
211.07639	1.2
212.04807	1.1
213.05656	0.8
215.07161	2.7
217.05103	2.3
217.08620	0.7
218.05789	0.8
225.05707	1.4
227.07162	2.8
229.05052	6.4
233.08186	4.6
238.06464	1.4
240.07813	3.2
251.07156	15.0
252.07953	5.9
253.08672	1.0
255.06670	3.0
259.06146	1.5
263.07257	0.8
267.10275	36.9
268.10574	4.2
277.08667	3.9
278.09329	2.1
280.07474	0.7
285.07745	1.7
291.10416	1.0
293.11761	4.7
295.09930	1.5
302.09485	0.9
305.08228	2.3
317.11749	0.7
319.09769	2.8
320.10492	8.5
321.11017	0.8
335.12915	100.0
336.09241	0.7
336.13242	13.2
337.10831	31.3
338.11133	4.3
338.19269	0.7
361.13110	0.8
379.11658	15.2
380.12228	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	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01886	1.5
57.03447	1.0
58.00594	3.6
59.01384	84.6
68.52251	1.0
71.01388	63.3
72.01738	1.5
72.99320	3.7
73.02955	16.8
78.56199	0.9
83.01402	2.2
85.02962	10.3
87.00878	3.1
89.02454	100.0
90.02791	2.3
95.01395	3.1
97.02969	1.8
99.00894	22.3
101.02451	40.1
102.02711	1.0
103.42173	1.1
111.02047	1.0
113.02470	16.0
115.04041	1.4
119.03522	19.1
125.02458	7.0
131.03528	13.8
143.03487	3.4
149.04573	42.2
152.15654	1.1
161.04604	5.3
169.01450	2.4
179.05623	9.0
191.05614	10.4
221.06569	1.5
233.06709	1.7
247.02481	3.4
247.11922	3.6
251.07730	2.4
379.16132	22.8
380.16452	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	379.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11135	10.3
59.01372	24.9
69.57069	61.2
71.01386	15.5
89.02470	19.5
96.95998	14.4
103.11319	11.9
110.87378	10.7
111.00889	24.9
113.27573	11.8
125.02397	17.8
127.00435	12.7
139.00407	19.6
140.01181	32.1
168.00664	39.9
322.64212	10.2
379.17688	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	380.1564
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.29679	0.7
59.01386	18.2
69.76870	0.6
71.01388	32.2
71.05016	6.7
73.02953	1.6
83.01369	1.7
85.02953	3.5
87.00892	0.8
88.04048	4.7
89.02459	7.9
96.49672	0.7
98.22514	1.8
99.04505	2.3
101.02448	8.0
106.97963	0.8
113.02454	4.3
113.41000	0.6
116.07195	1.4
119.03509	2.5
128.07224	2.5
146.08246	60.0
147.08603	1.8
162.95625	0.7
166.99426	0.8
199.01556	0.7
200.09338	1.4
201.99008	0.6
263.11115	1.0
290.12619	0.7
308.13507	7.4
340.20908	0.8
362.14456	1.4
380.15646	100.0
381.16077	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	381.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26506	0.7
59.01382	1.8
64.54258	0.7
69.03457	2.9
70.61256	0.8
70.61607	1.9
71.01389	1.8
76.49912	0.7
79.95750	1.5
81.03461	0.9
83.01385	1.0
85.02948	1.1
86.70318	0.7
87.00865	1.3
95.01404	1.5
96.96023	33.5
97.02956	2.4
101.02448	0.9
107.01398	1.2
113.02403	0.7
122.97572	2.9
123.00900	1.9
124.01684	3.3
125.02464	47.7
126.02805	2.0
130.06715	0.7
134.04741	2.5
149.99583	5.9
150.97112	1.9
151.00374	11.2
168.00658	21.8
169.01443	100.0
170.01773	4.4
193.01405	0.8
210.99187	30.6
211.99596	0.8
283.04648	2.7
301.05670	60.7
302.05862	5.7
350.60699	0.7
381.01251	8.0
382.10657	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	381.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.5
69.03465	2.7
71.01396	4.5
72.01678	0.7
72.57127	0.7
79.01886	0.9
79.95731	1.2
81.03449	1.0
83.01364	1.8
92.02683	0.7
95.01411	2.3
96.96021	29.9
97.02976	3.6
98.21696	1.1
101.02444	1.1
106.46189	0.7
107.01412	4.4
122.97596	1.1
123.00915	2.8
124.01675	5.4
125.02462	40.2
126.02789	1.8
137.02510	0.7
146.08240	4.9
147.08591	1.5
149.99585	7.0
150.97108	1.1
151.00389	18.0
168.00668	31.2
169.01442	100.0
170.01773	4.5
204.31061	0.8
210.99205	21.9
211.99554	1.0
228.70457	0.7
275.84448	0.7
283.04623	5.3
284.05032	0.8
301.05676	96.3
302.05997	8.5
380.15787	1.6
381.01160	5.2
381.15952	9.0
382.16275	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	381.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.5
72.99314	2.5
73.02952	2.8
85.06601	1.2
91.09151	0.7
91.70705	0.8
98.22573	2.5
99.08170	22.5
100.08533	1.0
101.06096	2.1
113.06113	6.2
115.07663	100.0
116.08003	3.6
117.03500	2.9
129.05620	4.5
131.29942	0.8
134.03757	78.3
134.35507	0.9
135.04109	3.2
137.02475	2.9
139.78418	0.7
143.06001	1.3
143.07147	20.7
144.07480	0.9
149.06044	4.8
159.06641	6.3
164.65266	0.9
178.02711	7.3
193.05077	66.2
194.05399	4.0
205.07214	13.9
230.29735	0.8
264.05353	0.8
292.73254	0.9
325.72128	0.9
381.15695	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	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27264	0.6
57.03182	0.7
57.03452	9.5
69.62849	4.0
73.02959	3.7
81.07087	1.3
83.05055	0.8
85.06606	1.2
89.03965	0.9
97.06593	1.3
99.08167	22.1
100.08472	0.8
101.06093	1.1
113.06096	7.0
115.07660	100.0
116.07979	2.3
117.03470	2.3
117.92224	0.6
121.02936	0.7
121.38583	0.5
121.65131	0.6
124.99572	0.7
125.06118	0.8
129.05539	0.6
134.03758	32.6
135.04135	0.8
137.02444	1.8
143.06015	1.1
143.07156	19.6
144.07506	1.1
149.06067	5.5
159.06619	5.2
178.02708	11.4
179.03122	0.8
193.05069	66.4
194.05424	3.7
211.77003	0.7
404.46078	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	381.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48061	9.0
65.42399	13.4
66.50842	9.7
78.95905	68.7
95.01388	15.2
96.96021	14.6
107.01409	16.1
111.11918	9.3
114.78909	9.1
123.00880	38.0
125.02468	54.2
145.03006	14.1
147.26807	10.2
152.99590	100.0
166.99910	22.9
169.01402	61.3
183.10336	48.4
201.28979	11.0
229.01437	20.7
247.02553	17.0
275.01880	14.8
300.99893	36.4
306.02045	32.1
310.12970	10.4
381.02313	14.3
381.13129	23.4
382.02731	58.6
382.06949	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.6
57.03445	3.1
58.00586	1.4
59.01094	1.9
59.01382	31.0
61.55177	0.9
64.80151	0.8
69.03448	1.2
71.01389	52.6
72.01720	0.8
72.99321	2.5
73.02953	30.8
75.00886	1.5
79.01221	0.8
83.01395	13.2
85.02477	2.0
85.02961	26.8
86.00088	1.6
87.00883	3.8
87.08156	1.5
89.02451	11.6
95.01413	4.4
97.02966	2.7
98.36226	0.9
99.00871	9.1
101.02451	59.2
102.02769	1.6
107.01411	1.5
111.00837	2.1
113.02464	19.8
115.03974	1.4
123.00901	1.8
125.02462	7.0
129.01961	2.1
131.03487	2.2
135.66286	0.9
143.03488	2.7
145.03058	1.2
147.04546	1.3
149.04492	1.3
159.03027	5.0
161.02490	2.1
161.04587	20.1
169.01419	3.9
171.00914	1.4
173.02499	1.1
179.24318	0.9
201.01924	2.9
203.76248	0.9
226.99895	1.2
229.01418	2.2
231.02998	2.3
233.06755	2.7
247.02446	2.4
249.13448	100.0
250.13739	7.2
275.01907	3.4
293.08942	1.4
293.12314	1.5
299.99179	1.2
300.99948	7.2
326.77731	1.0
381.17673	75.7
382.18033	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	381.1921
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
56.42976	0.7
58.00589	2.1
59.01371	1.1
69.11076	5.4
71.01396	0.7
73.02950	1.0
87.04510	2.1
89.27280	0.7
95.05016	0.7
113.06084	5.6
123.08218	0.9
123.93556	0.7
125.09758	0.9
135.04533	1.1
137.09772	3.5
150.82994	0.6
169.01276	0.7
181.08727	1.3
191.14423	1.4
227.14473	0.8
245.19133	0.8
257.15494	7.5
258.15781	0.8
259.16956	0.6
263.19980	1.3
273.18625	6.3
274.18985	1.3
275.16614	1.4
283.17017	0.8
289.18030	1.1
291.19635	2.2
301.18057	1.8
319.19061	4.3
335.18680	37.0
336.19043	5.4
337.20187	2.2
345.16922	0.6
363.18146	34.8
364.18484	3.6
381.19202	100.0
382.19495	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	381.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03619	8.1
54.71360	10.3
58.45840	8.7
59.01350	9.5
77.33960	8.1
89.93987	8.6
99.98544	9.6
125.77344	9.0
133.20836	8.6
291.19635	33.4
293.15396	9.3
308.24023	10.6
309.20749	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	381.2286
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
61.27980	0.2
61.98835	0.3
65.00298	0.4
65.01268	0.3
67.01891	0.7
68.99824	0.7
69.12672	0.7
69.13077	2.2
71.01375	0.5
72.99302	1.2
78.95905	0.8
83.01385	1.0
83.94276	0.3
87.00884	0.3
95.01389	0.6
97.02962	0.5
99.00927	0.3
110.00105	0.8
111.00899	5.6
123.00858	2.1
124.01664	2.5
125.02460	20.2
126.02770	0.6
127.00373	2.4
136.98814	4.1
139.00381	5.9
140.01176	8.9
141.01468	0.3
151.00337	0.5
154.99916	0.5
168.00652	5.4
169.01433	11.3
170.01727	0.8
174.96492	0.3
177.37167	0.3
217.00252	0.4
237.05724	0.3
253.18768	0.3
379.21082	0.3
381.22849	100.0
382.23190	14.0
382.27072	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	382.101
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
59.01377	1.9
60.97296	0.9
62.01784	1.0
64.49027	0.8
66.04240	0.9
71.01393	9.3
71.23145	0.9
75.00879	1.5
81.28033	0.8
87.00890	1.3
92.02582	1.1
96.96026	1.3
101.02437	1.1
107.03648	3.3
108.02195	3.8
109.02963	1.8
115.00388	16.7
125.02468	1.6
127.22247	1.0
132.04564	3.5
133.03979	1.4
134.04745	100.0
135.05099	1.8
135.06783	1.5
152.01132	2.7
153.01976	1.5
158.06120	8.2
160.06215	1.1
162.07860	9.0
169.01390	1.5
170.01724	1.3
202.05092	3.2
206.06837	35.9
207.07016	1.2
224.00114	1.1
232.04671	1.3
238.98981	1.0
250.05887	4.4
250.98761	1.6
266.08945	5.6
285.06165	7.1
302.06107	2.0
316.57434	1.0
382.10126	29.3
383.02905	2.3
383.10513	1.7
383.20499	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	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02195	0.7
59.01385	15.2
71.01383	9.6
73.02956	1.1
75.00878	26.8
83.01394	1.0
85.02963	3.1
87.00884	17.8
89.02448	5.9
95.01402	1.1
97.75156	0.7
99.29800	0.9
101.02451	4.1
113.02463	3.1
115.05568	6.3
116.05070	3.2
116.05816	0.9
119.03493	1.3
130.06642	8.5
132.04570	34.8
133.04910	1.6
144.04575	2.3
146.06226	0.8
157.05423	1.2
158.06126	100.0
159.06459	6.2
161.04674	1.0
174.05565	3.8
192.37593	0.8
202.05118	45.9
203.05470	2.9
220.06151	6.0
221.06528	0.9
237.06204	11.7
242.76003	0.8
249.06154	9.7
262.07309	1.5
268.94614	0.7
358.46609	1.1
382.11465	65.6
383.11743	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	382.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54406	0.7
59.01088	1.1
59.01385	15.8
59.09855	0.6
69.16315	3.2
69.16751	2.6
71.01392	9.2
72.99304	0.8
73.02949	1.2
75.00882	29.2
83.01385	1.2
84.33749	0.6
85.02959	2.8
86.93175	0.7
87.00882	18.4
87.11795	0.7
89.02455	5.7
92.25860	0.7
95.01372	1.1
101.02460	5.4
101.25442	0.7
105.35773	0.7
112.08266	0.8
113.02467	3.6
115.05545	7.0
116.05096	2.8
117.01967	1.0
119.03497	1.5
119.14988	0.7
130.06650	8.4
132.04567	30.8
133.04932	1.6
144.04559	2.2
146.06151	0.8
157.05287	1.4
158.06131	100.0
159.06503	7.0
161.04716	0.8
174.05583	2.7
175.92010	0.6
202.05121	44.6
203.05414	2.6
220.06178	6.5
233.74269	0.7
237.06192	13.5
238.06340	1.3
249.06221	8.6
262.07397	1.2
382.11475	66.8
383.11798	7.5
384.82379	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	382.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21273	0.7
59.01387	12.9
69.14865	6.3
71.01395	9.4
72.99311	1.5
73.02948	2.2
75.00885	26.4
85.02959	3.4
87.00888	15.7
88.40382	0.8
89.02468	4.5
95.01393	1.0
101.02465	5.6
113.02464	3.4
115.05550	6.8
116.05067	2.5
116.90879	0.7
119.03501	1.8
119.29867	0.8
126.74664	0.8
130.06638	8.2
131.03784	0.8
132.04570	35.0
132.09787	0.8
133.04915	1.3
144.04588	1.2
157.05334	1.4
158.06131	100.0
158.47772	0.7
159.06473	6.4
174.05663	3.8
202.05116	44.8
203.05457	3.0
220.06107	7.2
237.06197	10.3
249.06163	8.7
262.07230	1.3
382.11469	67.3
383.11746	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	382.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48246	1.0
58.02981	7.5
59.01377	1.3
61.38178	1.1
66.03473	4.8
68.05049	3.0
69.03465	16.0
72.04545	1.7
77.08932	0.9
79.53692	1.1
82.06629	8.4
84.00922	1.2
84.04556	1.6
86.06119	1.8
87.00902	1.2
89.99112	1.0
95.01413	1.4
96.04530	1.7
97.02937	3.1
98.21790	2.1
99.00886	3.5
99.05651	2.7
100.04047	2.9
110.06110	1.5
113.07221	6.0
114.05611	3.8
115.38206	1.0
124.04066	1.4
125.02436	3.1
125.07234	1.6
126.09235	6.7
127.08791	31.7
127.09661	1.4
128.03571	2.8
128.09123	1.6
129.10338	3.7
129.26665	1.0
130.05118	16.4
130.08777	1.5
133.06955	5.3
140.07173	3.9
141.01871	1.5
143.11935	4.1
153.06728	1.3
154.08757	52.8
155.08237	25.8
155.11816	2.0
156.08585	1.6
164.10780	2.8
165.10350	15.1
166.12392	5.7
167.04611	1.4
169.01421	3.1
171.11479	2.5
175.04027	1.1
179.03499	1.4
181.09805	5.2
184.61749	1.1
185.00943	6.6
185.13045	1.8
203.03505	1.7
207.11406	2.7
208.43103	1.0
209.12967	30.2
210.13242	1.8
223.10918	2.2
223.14462	1.5
227.10388	21.3
228.10719	2.3
228.69308	1.4
231.03049	1.6
240.17165	11.3
241.11983	1.5
251.14017	17.0
268.31192	1.3
278.18756	1.2
282.18222	4.4
300.99957	1.7
310.17603	1.4
320.19852	3.7
338.20889	12.9
339.21121	1.4
382.19849	100.0
383.13815	2.4
383.20129	10.7
386.55612	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	383.047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.7
59.01372	24.8
59.53778	8.3
69.41929	29.4
69.42342	26.7
71.01392	19.6
72.84160	9.1
72.99312	25.2
78.95901	12.7
85.02950	62.9
86.41615	8.2
87.00886	22.0
88.98822	16.7
97.56016	9.1
98.22558	13.1
120.89300	8.6
147.03020	9.0
150.03326	9.5
151.89780	9.2
156.99051	21.0
161.24567	9.0
167.31664	9.6
175.70818	10.0
191.01996	40.0
191.05635	100.0
246.98622	25.2
309.11847	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	383.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14419	1.0
58.02974	2.3
63.96241	3.3
71.01389	24.2
72.00930	1.1
74.99103	1.4
76.97047	2.9
78.95841	1.2
79.73692	1.0
79.95763	3.7
82.02988	12.2
88.04041	11.5
89.02436	1.1
92.05069	40.7
93.05385	1.3
96.00925	8.1
96.04568	5.6
98.02486	10.1
99.00903	1.1
100.04050	5.2
101.02435	1.4
107.01379	2.4
108.01760	1.3
111.03336	1.2
113.07220	61.7
114.05612	15.8
115.00379	37.2
115.01168	2.2
123.00858	1.7
123.09277	1.8
125.02454	4.8
126.09234	2.6
129.10355	2.8
130.06630	7.8
132.03049	2.5
134.03767	1.5
135.03200	1.0
136.04053	35.2
137.04356	1.6
137.81160	1.1
138.05626	12.1
141.10378	4.5
144.04587	1.7
146.06140	9.3
149.07291	1.8
151.07466	1.5
154.07545	1.4
154.08759	19.6
157.13594	1.0
162.01974	2.3
164.03882	31.8
164.05208	2.0
167.08238	3.2
169.01448	7.0
170.01727	1.4
171.11429	4.6
174.05608	15.9
182.04669	1.6
185.09325	30.9
187.09720	1.1
189.03778	1.8
190.05095	15.0
193.05177	2.3
193.08603	2.4
201.01891	1.3
202.05438	17.3
203.03519	1.4
209.12958	1.1
211.10849	1.2
213.10336	1.0
218.04594	18.9
221.06567	2.2
225.16081	1.4
226.15697	1.4
229.08458	2.1
230.01860	1.4
231.02721	1.7
246.04396	35.9
247.02365	1.2
247.04800	2.2
250.15590	8.8
268.16702	18.7
269.15088	9.4
275.10403	3.4
292.06967	1.5
301.08340	1.6
306.52170	1.4
319.09302	2.1
340.18759	14.0
366.16864	1.4
368.06857	1.5
383.04224	2.4
383.09204	16.2
383.13895	2.3
383.19955	1.7
384.17770	100.0
401.76410	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	383.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33745	0.3
68.98692	0.4
68.99036	3.3
70.02985	4.7
72.00912	6.3
72.99309	0.3
82.02956	0.3
91.05558	1.0
92.05064	100.0
93.05381	3.1
98.02480	37.1
98.03136	0.6
99.02810	0.8
102.03503	0.6
103.05556	0.7
110.02501	1.5
111.03265	24.1
112.03631	0.6
116.05074	1.8
118.06662	0.8
119.05032	0.3
128.05058	0.6
129.05850	0.7
130.06635	28.6
131.03746	0.3
131.04022	0.4
131.05029	3.4
131.06963	1.3
135.04536	0.3
136.04051	48.0
137.04424	1.5
141.07111	0.7
144.04523	2.1
145.04878	0.3
146.06126	3.0
147.04530	24.9
148.04848	1.6
156.04607	0.5
156.08192	2.6
157.06583	0.8
158.09711	1.4
159.08151	1.4
161.04892	0.6
164.07170	43.3
164.33322	0.3
165.07547	2.1
172.07629	0.4
173.07195	3.5
174.05605	44.1
175.05940	1.9
176.03539	0.3
182.60966	0.3
184.07684	21.5
185.06071	0.4
185.08011	1.6
194.09714	0.4
199.05159	1.4
200.03694	0.3
202.08737	18.1
203.09019	1.2
204.64299	0.3
217.06108	0.3
218.04584	49.1
219.04913	3.2
246.07718	33.5
247.08058	3.1
277.13504	0.3
303.11301	1.1
321.12451	3.3
322.12619	0.5
365.11307	1.8
366.11530	0.4
383.12503	16.0
384.12863	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	384.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97785	0.4
59.01379	0.9
59.03326	0.4
70.57635	0.9
70.58009	0.6
85.02953	0.5
85.88362	0.4
94.02992	1.1
108.04568	2.7
122.06120	1.6
124.04053	1.7
132.04576	0.8
134.68242	0.4
135.04532	4.6
136.04042	4.2
148.04039	1.0
150.05641	4.1
160.04024	5.2
162.01971	3.3
163.02765	17.9
164.03152	0.5
176.03517	5.1
177.04274	1.2
178.05107	100.0
179.05492	4.9
204.03050	2.5
220.14368	0.4
222.04089	83.6
223.04407	4.0
247.41835	0.4
316.89774	0.5
384.09399	14.7
385.09799	1.4
396.74014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
60.98848	0.5
64.49264	0.6
68.17375	0.7
83.12475	0.6
85.02962	0.6
91.11855	0.5
94.02972	1.0
107.05039	1.1
108.04567	2.7
122.06137	1.5
124.04052	0.9
124.56454	0.6
132.04536	0.5
135.04536	5.2
136.04079	4.9
148.04076	1.4
150.05588	3.9
160.04068	5.4
162.01947	3.2
163.02765	17.1
176.03526	5.6
177.04240	1.4
178.05109	100.0
179.05493	4.8
182.13847	0.6
204.03006	2.1
222.04089	69.7
223.04398	4.4
369.18835	0.5
384.09396	11.8
385.09488	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	384.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
59.01371	1.3
69.41505	1.2
69.41812	5.3
71.35710	0.7
72.00930	6.2
74.02486	6.3
84.04543	1.4
85.02966	1.8
93.03471	7.4
98.02487	26.3
106.04284	1.4
112.04041	1.4
115.05561	7.6
119.05038	21.6
121.02936	1.2
123.00916	1.2
125.02478	1.9
131.05020	2.3
133.05411	1.1
133.06606	7.7
134.06122	3.9
136.07707	1.2
137.02469	0.8
138.43312	0.8
139.00349	1.0
145.02983	1.9
147.04549	4.7
149.02434	0.7
158.03731	2.7
158.06108	10.8
159.04527	7.9
161.02449	1.4
162.02304	1.9
163.00481	0.7
163.04024	20.9
164.04375	0.9
169.01448	2.5
170.06097	1.0
172.07695	1.3
173.02409	1.6
175.04073	4.0
176.07132	1.6
179.10759	3.3
180.06676	100.0
181.07043	4.7
185.02463	12.9
186.02902	0.9
189.01979	1.6
190.02736	1.8
191.03534	3.4
198.77008	0.8
201.01942	1.2
203.03546	6.2
206.04578	2.4
216.06749	1.2
217.01433	1.6
218.08382	1.1
219.02913	0.8
221.04565	1.0
223.09787	2.2
225.09174	1.5
229.01477	1.8
234.07747	1.8
245.00955	1.8
247.02455	9.2
261.00537	0.9
273.00418	1.3
291.01608	1.0
296.12915	3.2
304.09683	0.8
322.10886	3.1
340.11905	12.8
341.12213	2.5
363.03912	1.4
366.09836	16.5
367.10074	2.2
384.10873	25.7
384.21472	2.1
385.11057	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	384.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.02959	2.2
59.01368	2.4
60.27340	0.9
69.14308	0.9
71.01390	26.1
72.29818	1.0
80.01469	0.9
85.02957	5.4
88.03544	1.1
88.04056	13.8
92.05059	1.6
98.06127	2.0
109.02935	1.3
113.07225	79.5
114.01954	1.3
114.05617	13.9
114.07539	1.6
115.00384	44.4
123.09305	1.3
126.09287	2.6
129.10359	4.4
132.03035	2.6
136.04018	1.0
139.08821	2.0
141.10368	6.5
154.08762	24.7
163.04070	1.0
166.12352	2.4
167.08278	3.2
171.11427	6.7
177.01912	1.9
185.09329	34.8
186.09700	2.0
189.01944	2.2
191.03416	1.6
193.08560	3.0
209.13011	1.3
217.01431	1.2
219.02963	1.1
226.15593	1.7
228.71010	1.2
229.08281	2.0
245.00859	1.0
247.02399	2.0
250.15642	9.9
268.16678	22.7
269.14957	9.8
278.74481	1.3
322.17776	3.3
340.18796	20.9
341.06616	1.6
341.18954	2.5
365.75528	1.0
384.17795	100.0
385.18121	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	384.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03680	1.0
58.02978	3.7
59.01384	1.1
68.96642	7.9
68.97067	4.7
71.01391	31.4
82.06617	4.0
82.92377	1.2
85.02946	2.8
88.04044	14.2
91.74786	1.1
98.06102	1.5
111.05678	1.8
113.07222	75.1
114.05621	12.3
114.07526	1.4
115.00385	46.5
116.00626	1.2
123.09274	1.7
125.07256	1.3
126.09244	3.3
129.10349	3.8
132.03027	3.7
139.08757	1.9
141.10371	6.1
146.78909	1.3
151.35818	1.0
153.10307	1.3
154.08780	24.4
155.09160	1.6
155.11899	1.0
157.13504	1.3
166.12328	2.2
167.08295	3.1
171.11388	5.7
185.09335	41.6
186.09645	1.8
193.08575	1.8
208.14552	2.9
209.12965	1.9
217.01329	1.6
218.96840	1.2
225.16071	3.1
226.15613	5.3
226.35223	1.3
229.04602	1.1
229.08257	2.9
250.15616	16.7
268.16702	25.2
269.14923	9.9
298.17807	1.5
322.17780	3.2
340.18805	18.1
341.18951	2.4
384.17792	100.0
385.18106	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	384.987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38856	0.8
57.03442	2.5
59.01384	2.9
61.98814	2.3
69.69569	0.9
70.49744	2.4
71.01378	1.8
72.99324	1.3
78.91884	5.0
83.01409	1.1
85.02961	25.6
89.89964	0.8
99.92588	13.6
108.02200	4.6
109.02986	1.7
115.92081	1.4
116.92871	100.0
117.92857	5.1
122.02493	2.6
123.00921	6.6
125.02422	2.0
129.01949	2.1
137.02466	1.1
147.02985	1.4
149.02420	1.9
152.01186	4.6
153.01897	1.3
164.04807	1.4
174.01701	5.8
177.02025	1.4
178.08760	1.3
179.03610	1.0
179.09184	1.4
179.24985	0.8
191.02066	6.5
207.94705	13.8
208.94781	2.1
209.03006	1.9
223.04420	1.9
223.06277	1.4
234.93391	3.7
235.32953	0.8
247.40741	0.8
249.27074	0.8
251.93690	1.6
263.07596	1.8
285.06143	6.1
295.08105	1.2
340.99725	1.9
384.98700	51.3
385.11578	5.5
385.98868	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	385.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.58809	0.8
57.03454	11.3
59.01393	6.6
59.83482	0.7
61.98818	0.9
66.49035	0.7
68.99827	1.2
69.71472	3.5
71.01375	4.3
72.99316	1.9
75.00867	1.7
78.95875	0.9
83.01398	1.9
84.02168	2.9
85.02962	100.0
86.03301	2.3
87.00899	1.4
87.92537	1.4
88.98830	2.6
89.02441	1.1
99.21259	0.9
101.02490	1.1
103.00378	1.8
111.00876	1.5
125.02472	1.4
126.94412	1.3
129.01950	5.5
131.08289	7.9
133.01439	0.9
134.03786	5.4
147.03038	10.6
150.94025	0.8
173.10477	5.7
191.02003	24.9
193.05090	3.5
205.03603	1.6
209.03040	13.1
210.03355	0.9
223.04518	2.1
385.11697	0.9
406.15082	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	385.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71119	0.9
55.01881	2.1
57.03453	11.2
59.01383	7.7
66.66599	1.0
70.95712	2.3
71.01392	4.2
72.99324	1.4
75.00864	1.1
80.68011	0.9
83.01396	2.7
84.02182	3.9
85.02959	100.0
86.03290	3.0
86.69334	0.8
86.90182	0.8
89.02460	1.0
91.52859	0.9
94.90329	0.9
99.92617	1.3
101.02479	1.2
103.00391	1.9
111.00898	2.4
115.92092	1.4
116.92879	8.0
123.04507	1.4
125.02533	1.6
129.01985	6.9
134.03769	4.1
147.02998	8.6
149.02505	1.1
153.01970	1.5
160.79570	0.8
164.04767	1.2
174.01718	6.8
191.00226	1.6
191.01994	25.7
193.05130	3.3
205.03554	2.0
209.03053	9.7
223.04445	7.2
223.06499	1.0
325.09192	1.0
384.98752	1.4
385.07382	1.0
385.11597	6.7
396.26083	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	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03453	14.8
59.01381	7.3
63.32345	0.7
66.43186	0.8
68.99837	0.9
69.71423	2.6
71.01385	4.8
72.99326	0.9
75.00882	1.9
83.01395	2.6
84.02169	1.2
85.02960	100.0
86.03287	3.4
87.00862	1.1
89.02470	1.1
96.59665	0.8
101.02501	1.0
103.00378	1.9
103.43694	0.8
107.01641	0.9
111.00937	1.4
115.00352	0.8
129.01958	7.0
134.03749	3.6
135.04578	4.6
147.03015	9.4
173.01019	1.5
174.01714	2.4
179.03557	2.1
191.01997	23.5
193.05095	1.0
209.03078	2.7
223.04617	13.2
244.89594	0.7
247.02359	1.4
249.04118	0.8
257.47229	0.9
269.36975	0.8
310.30682	0.7
377.57584	0.8
385.11472	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	385.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64152	0.9
55.01875	2.6
57.03452	12.0
59.01382	7.9
69.16195	5.6
69.16605	1.6
71.01382	7.9
72.99319	1.5
75.00875	1.3
83.01385	1.6
84.02180	2.1
85.02959	100.0
86.03294	2.8
87.00911	1.4
89.02448	1.3
98.22101	4.0
103.00380	1.4
106.98167	1.1
129.01955	6.7
133.01451	3.4
134.03781	4.6
147.03026	11.7
173.00890	0.9
191.01987	28.6
191.03302	1.2
192.02422	2.2
193.05104	1.7
209.03040	50.4
210.03340	2.8
242.19656	0.8
247.02370	2.1
267.07214	4.9
344.83762	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	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77160	0.5
55.01883	2.0
57.03453	13.6
59.01384	5.5
59.58634	0.5
63.73405	0.5
66.14201	0.5
67.55645	0.6
68.99824	0.5
70.03382	0.6
71.01379	2.8
72.99306	0.8
75.00897	0.9
83.01385	1.8
84.02177	2.4
85.02959	100.0
86.03300	2.1
87.00894	0.9
90.55693	0.5
97.56586	0.6
98.21782	2.0
103.00396	1.2
111.00919	0.6
115.00375	0.8
129.01964	8.3
134.03769	3.7
147.03008	12.1
148.07166	0.5
173.00841	0.8
174.01723	2.7
178.51965	0.6
191.01987	23.5
191.03349	0.8
192.02409	0.8
193.05043	1.7
209.03072	3.3
223.04646	0.8
247.02519	0.7
262.87488	0.6
385.11597	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01378	2.3
67.45761	0.8
70.48465	2.2
71.01379	1.8
80.07240	0.9
83.94183	1.0
85.02956	17.8
88.64606	1.0
93.03491	1.7
96.96972	1.0
115.00399	1.8
121.02978	11.8
122.03276	0.9
125.02451	1.1
129.01961	1.5
134.03795	1.8
135.04581	1.3
137.02502	1.3
147.02997	1.2
149.02461	72.9
150.02811	4.4
152.01187	3.8
163.04045	3.8
164.04807	70.7
165.05135	3.0
169.05086	2.3
174.01682	12.8
174.52959	0.8
175.02470	1.7
177.01950	1.5
179.07153	25.9
180.07468	1.9
184.82216	0.9
191.02007	3.4
193.01436	7.8
205.05077	1.2
208.03783	21.7
209.02840	5.5
223.06143	100.0
224.06473	6.9
233.48463	1.0
295.08279	1.5
299.13205	1.0
385.11505	14.3
386.11963	1.5
401.36108	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	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56076	1.4
57.03474	1.9
57.29115	1.0
59.01382	5.5
69.60873	5.9
71.01385	3.8
72.99307	1.7
73.02940	2.9
75.00877	3.9
75.92807	1.1
83.01380	4.3
85.02961	15.1
87.00871	4.8
95.56731	1.4
98.21828	1.5
99.00884	1.7
101.02432	2.1
113.99622	2.9
115.00379	8.7
129.01973	1.7
137.02420	1.4
164.04683	1.4
174.01714	83.8
175.02513	8.8
194.05855	1.4
194.41371	1.1
205.05060	1.6
209.08189	6.5
216.79256	1.5
223.06163	2.6
239.09180	2.4
251.09276	1.6
267.08795	3.5
295.08194	8.9
325.09348	16.5
326.09753	2.1
380.88843	1.3
385.11456	100.0
386.11713	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45945	0.8
57.03453	3.1
59.01387	15.5
67.75700	0.7
69.15237	6.7
71.01389	22.2
72.99303	4.6
74.26613	0.7
75.00878	16.3
83.01398	1.3
84.02195	1.2
85.02959	27.8
86.03288	0.9
87.00890	10.5
89.02456	8.4
91.04019	1.5
91.05551	6.2
92.31064	0.7
95.01395	5.0
99.00882	8.0
101.02451	1.0
103.00404	2.9
111.00967	1.0
112.01631	1.4
113.02462	34.7
114.02783	1.7
115.00375	2.1
117.01963	2.9
117.03466	5.3
121.02973	1.6
125.02453	1.5
129.01964	1.3
131.03516	1.0
135.04579	4.1
175.00404	0.9
175.02466	1.5
198.80276	0.8
205.05174	1.8
205.07121	1.7
207.05080	1.1
208.03685	1.1
209.03036	1.0
223.06126	1.7
249.06194	8.6
267.07239	100.0
268.07620	5.5
369.47928	0.8
385.11475	15.7
386.11844	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	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01387	8.7
67.01890	2.5
68.99837	3.2
69.03456	1.2
71.01392	8.7
72.99289	1.0
75.00865	2.3
83.01389	1.0
83.19248	0.6
85.02964	9.6
85.16832	0.6
86.00117	0.9
87.00884	3.4
89.02445	2.4
91.04027	1.7
91.05534	2.3
93.03488	0.6
95.01423	1.9
97.02895	0.6
99.00915	2.0
110.22594	0.6
111.00886	2.0
113.02466	10.1
117.03465	1.0
120.90250	0.7
121.02970	100.0
122.03282	5.1
124.19814	0.7
129.01941	1.4
135.04532	1.9
139.00403	1.5
157.01463	1.2
167.07863	0.6
169.05020	0.7
192.92870	0.8
205.07120	0.6
219.21045	0.7
229.13943	0.8
231.05093	1.9
249.06128	5.4
250.06494	0.8
263.07727	22.2
264.08069	1.4
267.07217	15.0
267.09863	1.3
275.54877	0.6
307.81308	0.6
353.08716	0.8
385.06372	0.9
385.11423	19.2
386.11630	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	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99417	0.5
55.01875	0.9
57.03460	2.9
59.01385	8.0
60.37925	0.4
61.32771	0.5
63.82621	0.4
67.01895	2.1
68.99835	1.1
69.03474	0.7
70.67545	0.5
71.01389	7.5
72.99311	1.7
73.02945	2.1
73.89249	0.5
75.00868	1.5
83.01393	2.3
84.02200	0.9
85.02957	30.8
86.03294	0.7
87.00911	2.8
89.02451	2.2
93.03480	0.6
95.01397	1.7
97.02950	1.2
99.00903	2.1
101.02455	2.4
111.00887	3.3
111.04495	0.5
112.01624	0.9
113.02469	7.0
115.00411	0.6
117.03456	0.7
121.02970	100.0
122.03284	3.8
125.02467	0.8
129.01949	2.7
133.01488	1.2
134.03703	0.8
135.04561	2.5
137.02466	1.3
138.06895	0.9
139.00372	1.3
143.03438	1.2
147.03018	1.7
147.04419	0.6
151.07668	1.6
152.08470	2.6
153.09248	5.6
157.01521	0.6
159.04486	0.5
161.02490	1.0
161.04660	0.6
163.00366	1.8
163.04015	0.8
165.01952	1.3
169.66875	0.5
173.00940	0.9
173.02397	0.6
175.04037	1.7
177.05522	1.1
179.03502	2.4
189.01944	1.0
190.02713	1.2
191.01964	7.7
191.03508	2.3
193.01440	1.7
201.02095	0.8
203.03516	2.2
205.05139	1.2
205.12334	1.1
209.01064	0.7
209.03029	4.2
217.01404	1.4
219.03001	1.5
221.04552	1.2
223.04575	10.4
223.13371	0.7
229.26601	0.6
231.02998	0.7
231.05132	1.0
235.02365	0.8
237.00465	1.0
245.00914	1.5
247.02452	7.4
249.04019	1.4
263.07764	8.9
273.00455	1.9
275.02020	1.5
293.03235	0.7
314.03473	0.6
322.03125	0.6
350.04739	0.7
353.08755	0.7
363.03543	1.2
364.04532	1.0
385.11417	21.2
386.11777	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.7
59.01383	19.8
59.36012	1.4
69.08242	1.8
69.32124	1.6
69.87586	6.3
71.01394	15.7
72.99314	1.5
73.02953	4.7
79.39967	1.9
79.96872	1.9
85.02953	13.6
87.08327	1.8
89.02438	11.9
94.45547	1.7
101.02473	8.2
111.04502	1.9
113.02442	12.3
119.03501	4.8
125.02460	3.5
125.06151	1.7
133.10229	3.4
135.04556	2.3
135.11810	16.3
137.02386	1.9
144.07886	1.7
146.07407	2.4
147.04498	1.8
153.09230	1.9
159.08084	3.0
159.11824	4.3
161.02425	2.0
161.09724	18.9
169.01399	2.6
175.11258	2.0
179.10796	100.0
180.11111	7.7
190.02606	2.4
191.03552	3.0
203.10791	13.6
217.01375	2.2
221.11897	1.8
223.09766	48.8
224.10091	2.2
229.03920	1.9
245.11893	2.0
247.02519	5.0
265.10742	2.9
312.12543	2.7
367.21320	2.4
385.14948	5.9
385.22281	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63349	1.6
59.01384	21.7
70.16373	3.8
70.16740	3.2
71.01386	14.5
85.02966	6.3
89.02454	11.4
96.09675	1.5
97.03000	1.6
101.02450	3.9
107.05160	1.7
113.02482	6.4
115.52435	1.7
119.03515	4.1
125.02426	1.7
133.03078	1.8
135.11815	12.0
135.61014	1.7
147.99655	1.7
161.09779	4.9
163.32988	1.7
172.04160	1.7
177.40424	2.1
178.96799	1.6
179.10786	100.0
180.11154	6.1
199.24677	1.7
221.24017	2.0
223.09770	31.3
224.10095	1.9
265.10880	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01383	58.0
71.01392	14.4
72.99295	1.5
85.02920	1.8
85.04246	1.0
87.00903	1.6
89.02455	1.6
102.32850	1.1
105.47652	1.1
109.06550	1.3
115.00381	24.7
121.02899	1.1
125.02457	2.1
133.00461	2.3
133.01443	34.1
137.02393	1.4
148.05344	2.3
163.07640	3.9
165.12856	6.2
169.01407	1.8
189.12885	1.2
196.07423	1.2
207.13936	12.9
208.14143	2.0
209.11848	11.0
223.13486	1.7
225.09409	1.1
225.14975	5.6
251.12878	3.4
257.08377	1.4
269.13953	100.0
270.14297	10.7
305.02939	1.4
342.17233	1.1
385.22791	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	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59843	0.9
59.01386	100.0
60.01710	1.5
69.16144	6.2
69.16551	1.8
85.02959	1.2
92.10898	0.8
98.21820	1.9
98.22462	1.9
125.02455	0.9
191.03516	1.1
247.02599	1.4
273.00433	1.1
325.26813	0.9
330.33380	0.9
375.12326	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01383	58.0
71.01392	14.4
72.99295	1.5
85.02920	1.8
85.04246	1.0
87.00903	1.6
89.02455	1.6
102.32850	1.1
105.47652	1.1
109.06550	1.3
115.00381	24.7
121.02899	1.1
125.02457	2.1
133.00461	2.3
133.01443	34.1
137.02393	1.4
148.05344	2.3
163.07640	3.9
165.12856	6.2
169.01407	1.8
189.12885	1.2
196.07423	1.2
207.13936	12.9
208.14143	2.0
209.11848	11.0
223.13486	1.7
225.09409	1.1
225.14975	5.6
251.12878	3.4
257.08377	1.4
269.13953	100.0
270.14297	10.7
305.02939	1.4
342.17233	1.1
385.22791	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	385.1661
Annotation	(+)-Eudesmin
Peak:m/z	Relative Intensity
67.01891	4.1
69.03466	1.4
72.99291	1.3
79.01904	5.6
85.02976	1.6
87.40421	0.6
95.01398	7.3
95.28992	0.6
97.02972	1.6
97.47457	0.6
98.22152	5.4
109.03011	0.9
122.03762	5.9
123.00903	74.0
124.01214	2.2
133.63062	0.7
134.03795	1.1
135.04472	1.2
136.05295	2.5
137.06020	0.9
139.00388	18.9
140.00847	0.8
141.01962	10.7
148.05354	1.6
149.06090	8.5
150.06876	8.9
151.00385	81.2
151.07677	7.9
152.00729	3.5
155.10786	0.8
162.06856	2.0
163.07669	1.8
165.05603	1.4
173.23888	0.7
181.12393	2.6
205.12456	1.9
218.13106	4.1
219.13866	4.8
232.14819	3.3
233.15479	48.6
234.15871	4.1
237.14940	0.8
247.13380	3.2
258.71674	0.8
265.14456	3.6
385.16589	100.0
386.16974	14.6
399.33304	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	385.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
58.04118	0.4
59.01394	0.7
61.98835	0.5
69.23970	3.2
74.99125	0.7
85.02960	3.3
98.21822	0.6
100.65214	0.4
100.90234	0.4
102.44954	0.4
112.08803	0.6
113.07280	0.4
114.05633	0.9
117.97299	0.5
130.08752	1.3
131.08284	100.0
132.08618	2.6
156.07803	3.8
172.65985	0.4
173.10466	64.7
174.10876	2.5
191.01964	0.8
209.03130	0.5
211.07819	1.3
238.06847	0.6
290.16458	0.4
309.14197	1.7
326.16922	0.8
353.47601	0.4
368.13422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
57.03457	5.0
57.42519	0.6
58.00600	2.9
59.01384	62.5
68.99808	0.7
69.03457	1.2
69.10645	1.6
69.11047	3.8
71.01388	67.4
72.01725	1.9
72.99319	3.7
73.02950	12.0
75.00902	1.4
81.03486	0.8
83.01399	6.6
83.05038	0.7
84.02183	0.7
85.02959	38.3
86.03268	0.7
87.00891	3.4
89.02455	31.1
90.02766	0.7
95.01395	5.2
95.05029	2.5
97.02963	6.8
99.00890	5.7
101.02454	34.0
105.07116	1.5
108.05812	2.1
109.02979	1.0
109.06598	1.4
111.00882	1.5
111.04500	1.4
111.12673	0.6
113.02457	28.5
113.06092	3.5
114.02824	0.8
119.03510	11.2
119.05035	0.6
121.02968	29.2
122.03734	2.3
123.08160	5.8
125.02431	1.4
125.06089	4.1
126.37853	0.6
129.01965	2.7
131.03496	1.2
135.04558	1.5
135.08200	0.9
136.05324	3.5
137.02469	1.0
137.06110	2.0
138.06891	23.5
139.00369	1.2
139.07678	10.2
139.47305	0.6
143.03537	2.7
147.03008	1.4
147.04491	0.7
149.04642	0.7
149.06084	1.0
151.04048	0.6
151.07666	23.9
152.04796	2.7
152.08444	43.7
153.09230	100.0
154.09560	5.4
159.01741	0.6
159.03011	2.5
161.04573	16.6
161.09746	0.7
162.04967	0.7
163.00380	1.3
163.03925	0.7
163.11316	3.5
165.09204	2.3
167.07222	1.0
173.02480	0.8
174.44574	0.7
175.04066	1.2
177.01970	0.8
179.03589	0.5
179.05635	2.7
189.09280	1.8
190.02780	1.6
190.10022	1.9
191.01971	3.3
191.03543	1.9
193.01498	0.9
203.03548	0.9
205.12344	31.4
206.12683	3.3
209.03087	1.9
219.03059	1.7
221.04506	0.7
223.04591	4.8
223.13414	14.0
245.00917	1.2
247.02449	4.7
263.01917	0.6
263.07751	2.6
273.00449	1.1
275.02008	0.6
336.03046	0.7
385.11520	5.2
385.18799	6.3
386.18787	0.8
405.04639	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	385.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28585	1.5
61.98837	100.0
68.96457	16.6
85.02979	1.7
95.26887	1.4
98.22363	6.2
125.02470	2.1
130.08748	2.9
131.20418	1.9
169.46454	1.6
245.71472	1.6
300.99899	1.6
322.20300	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	385.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24870	6.5
71.96612	0.9
86.49302	0.9
91.04019	1.2
93.95609	0.9
112.33646	0.9
113.09737	1.6
115.07659	1.2
167.14427	2.8
177.48552	1.1
183.13911	2.0
195.13907	11.7
197.20363	1.0
213.14893	1.6
242.15323	1.7
272.85870	1.0
293.21286	11.7
311.22299	100.0
312.22659	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	386.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27222	0.7
69.27625	2.6
71.01373	0.5
90.02919	0.4
94.85236	0.4
107.05054	0.4
119.05054	0.8
124.01666	0.5
125.02432	0.5
133.02979	0.6
133.05405	1.1
134.03789	2.5
135.04543	17.9
136.03984	0.6
136.04898	1.0
136.07751	0.6
137.02429	0.6
147.04518	3.9
148.05322	45.8
149.05782	2.2
150.03236	1.3
161.02419	0.6
162.06865	0.7
171.92421	0.4
176.03549	5.5
177.04323	3.1
178.05115	27.2
178.99809	0.4
179.05457	1.8
179.28688	0.5
183.30515	0.6
190.05115	12.6
192.06665	1.4
253.08708	1.2
271.02551	0.7
297.06781	0.6
297.10110	10.9
298.10608	0.6
310.10855	0.5
311.11667	1.1
312.12451	100.0
313.12805	12.9
313.16449	0.9
315.05081	0.6
318.59830	0.6
386.15973	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95886	5.5
59.01381	100.0
61.98824	10.3
67.40603	6.1
69.61452	16.4
69.61858	25.4
103.01507	72.3
145.09839	6.5
159.01540	13.3
188.40794	6.5
201.02519	36.8
232.96439	6.0
245.02631	47.4
291.53152	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	387.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03453	42.5
59.07568	0.8
59.71241	0.8
69.18990	1.8
69.19388	7.1
71.01379	2.2
73.02953	16.8
83.01395	38.9
84.01710	1.0
87.00873	3.5
97.57590	0.9
99.00906	9.9
101.02460	6.9
109.97425	0.9
110.91530	0.8
113.39253	0.9
114.68372	0.9
117.01894	0.9
121.02937	2.1
125.02483	1.7
127.00387	100.0
128.00717	3.0
152.98184	0.9
153.05591	1.3
156.66245	1.0
178.05167	1.2
179.05446	1.9
180.05606	0.9
181.05910	1.0
183.06499	0.9
189.00426	49.9
190.00739	2.4
197.04463	1.2
223.04437	1.5
225.07742	1.1
255.18854	0.9
255.30934	1.0
380.96014	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	387.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04473	0.7
55.01876	4.9
57.03450	17.9
58.80129	0.8
59.01376	3.3
67.01869	1.3
69.44159	5.2
71.01395	5.3
72.99303	0.9
73.02934	2.5
75.00859	1.9
83.01394	8.3
84.02166	2.6
85.02956	100.0
86.03297	2.7
87.00870	0.9
98.21815	1.0
101.02432	5.5
103.04057	1.3
106.55112	0.7
109.02948	1.6
111.00890	22.4
119.05032	2.0
121.02966	28.1
122.03276	1.4
129.01952	37.1
130.02293	1.0
147.02948	1.4
149.11763	0.9
151.04025	1.2
161.04604	4.2
181.01469	1.4
181.05092	7.8
187.02493	1.0
191.01982	1.9
205.03537	32.1
209.03036	0.9
223.04576	15.2
275.01965	2.1
387.09296	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	387.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04473	0.7
55.01876	4.9
57.03450	17.9
58.80129	0.8
59.01376	3.3
67.01869	1.3
69.44159	5.2
71.01395	5.3
72.99303	0.9
73.02934	2.5
75.00859	1.9
83.01394	8.3
84.02166	2.6
85.02956	100.0
86.03297	2.7
87.00870	0.9
98.21815	1.0
101.02432	5.5
103.04057	1.3
106.55112	0.7
109.02948	1.6
111.00890	22.4
119.05032	2.0
121.02966	28.1
122.03276	1.4
129.01952	37.1
130.02293	1.0
147.02948	1.4
149.11763	0.9
151.04025	1.2
161.04604	4.2
181.01469	1.4
181.05092	7.8
187.02493	1.0
191.01982	1.9
205.03537	32.1
209.03036	0.9
223.04576	15.2
275.01965	2.1
387.09296	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	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52866	0.4
57.03178	0.6
57.03450	8.2
59.01386	8.1
63.03059	0.3
63.68274	0.3
68.96836	0.3
70.30873	0.5
70.31243	1.0
71.01379	2.3
81.03467	1.3
83.01398	4.3
85.02964	0.6
89.02464	2.1
93.03493	0.4
95.05036	0.7
97.02962	1.6
99.00876	0.7
101.02455	1.3
113.02468	0.7
119.03552	0.8
119.05044	0.9
121.02999	0.4
123.04543	0.3
125.02460	100.0
126.02796	3.9
134.51974	0.3
137.02486	0.4
137.06094	1.1
139.04007	1.7
149.02446	11.9
150.02881	0.8
151.03998	0.5
161.04608	0.5
163.03995	0.8
163.11301	3.9
164.11572	0.4
165.01906	0.3
165.05637	0.9
167.03526	1.2
177.01984	1.2
179.03569	0.5
181.05057	1.1
192.04291	0.9
207.06700	2.3
209.04575	0.3
217.96356	0.3
225.04115	5.7
225.07637	3.5
226.04532	0.4
231.70404	0.3
247.81088	0.3
287.07831	1.3
289.07196	0.6
361.48236	0.3
387.11899	0.6
387.16699	10.4
387.21698	0.5
388.17224	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	387.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03179	0.7
57.03453	8.6
59.01390	4.9
70.30530	0.7
70.30875	0.6
71.01378	1.5
81.03472	1.2
83.01401	3.9
89.02440	1.0
93.31689	0.3
95.05041	0.6
97.02984	1.7
98.22659	0.4
99.77522	0.3
101.02468	1.4
109.03008	0.5
113.02467	0.6
119.03481	0.4
119.05006	0.6
121.02962	0.5
124.01771	0.4
125.02463	100.0
125.81940	0.3
126.02799	3.9
137.06104	1.1
139.04066	1.6
139.23650	0.4
149.02469	11.5
150.02789	0.5
151.04001	0.8
161.04625	0.8
163.04045	0.6
163.11285	1.8
165.05562	1.1
167.03537	1.4
169.01418	0.4
179.03491	0.9
181.05127	1.5
191.03500	0.6
192.04280	0.5
207.06691	1.2
225.04102	7.1
225.07628	4.2
278.84476	0.3
287.07721	1.3
306.61859	0.4
387.16797	3.6
388.17395	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	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.4
58.00603	1.4
59.01384	42.4
59.55020	0.8
62.49226	0.9
65.80975	0.9
70.51083	0.8
70.91135	1.0
70.91460	1.3
71.01388	24.0
71.14769	0.8
72.15603	1.0
72.99306	2.6
79.84098	1.0
83.01366	1.7
85.02943	4.5
89.02457	20.8
95.01396	1.8
95.05029	1.1
101.02448	15.0
113.02481	9.0
113.56445	1.0
119.03519	7.7
121.02959	1.8
122.59361	1.0
125.02457	24.1
131.03418	0.9
149.02426	6.8
163.11316	2.6
167.99957	0.9
169.01448	1.3
177.01950	39.8
178.02516	1.8
179.05606	0.9
192.04305	49.5
193.04755	4.1
207.06645	100.0
208.06926	5.7
225.04025	1.3
239.05710	1.4
248.14268	1.1
276.39182	0.9
281.88895	0.9
307.56241	0.9
308.17642	0.9
332.60489	1.1
387.16696	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	387.1302
Annotation	Syringoxide
Peak:m/z	Relative Intensity
51.11784	0.8
55.85682	0.5
59.01376	2.6
69.09909	0.5
69.10180	5.9
71.01382	1.5
77.55537	0.6
80.27571	0.6
84.44824	0.6
85.02969	1.6
92.35387	0.8
101.02463	0.7
109.02962	1.5
111.55825	0.5
121.03004	0.9
123.00906	1.4
123.04524	0.9
125.02467	1.9
136.01634	0.9
137.02451	4.1
149.02464	1.4
150.03235	1.9
151.04027	22.1
152.04721	1.3
153.01851	0.8
163.03883	0.6
165.02010	3.0
166.02686	1.4
166.06380	3.3
167.03487	3.7
168.04047	0.7
169.01440	1.1
177.01939	8.9
179.03508	2.4
180.04378	1.2
192.04277	4.9
193.04962	1.4
194.02303	1.9
195.03012	34.1
195.06651	3.8
196.03337	2.0
198.05347	1.9
204.12877	0.7
207.06689	1.2
209.04575	37.2
210.05350	36.3
211.05711	2.1
224.06912	19.4
225.07710	100.0
226.08057	6.6
260.42783	0.7
387.08844	1.2
387.13092	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	387.1301
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
54.40081	0.5
55.01867	0.7
56.76710	0.5
57.03455	0.6
57.21846	0.5
57.22983	0.5
59.01397	4.3
59.88099	0.4
64.42938	0.5
65.00317	1.5
65.59340	0.4
67.01888	1.4
68.99802	0.7
69.03458	0.8
69.06323	4.7
71.01393	4.3
72.99299	1.1
73.02937	2.3
79.01883	1.0
83.01392	1.9
83.57933	0.5
85.02951	3.1
87.00867	0.9
89.02460	1.2
93.03453	0.6
95.01392	2.4
97.02966	1.3
99.00899	1.3
101.02450	5.0
104.63702	0.4
107.01391	4.7
109.02937	1.3
110.00093	0.6
111.00915	3.3
112.21464	0.4
113.02452	2.3
117.01954	0.8
123.00013	1.0
123.00903	16.9
123.04535	1.6
124.01690	1.3
125.02465	20.5
126.02783	1.1
127.00393	1.6
129.01921	0.6
134.13315	0.4
136.98804	1.8
137.02475	2.3
139.00400	6.8
140.01180	4.3
140.07779	0.5
141.01981	2.2
145.02966	0.7
149.02509	0.7
151.00383	12.5
152.00755	0.6
153.01904	1.0
159.04474	0.6
161.02428	1.4
161.04510	0.5
162.02365	1.0
163.00348	1.9
163.03998	1.0
164.00916	0.6
165.01945	0.9
167.03522	4.5
168.00659	4.7
169.01442	23.5
170.01836	1.1
175.03970	0.9
177.02013	1.2
189.02008	0.6
191.03436	1.7
193.01439	0.5
196.72525	0.5
202.99997	0.6
203.03462	0.8
211.02533	0.9
219.02885	0.5
220.23586	0.4
221.04605	1.0
223.02420	0.5
231.02884	0.5
245.00891	0.7
246.98886	2.3
247.02550	3.2
248.02806	1.5
252.52255	0.5
261.00348	1.7
262.00647	0.5
274.00613	0.6
313.05591	0.9
322.52942	0.6
323.50131	0.5
351.46744	0.5
387.12994	100.0
388.13361	11.1
404.39667	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	387.1452
Annotation	Cetirizine
Peak:m/z	Relative Intensity
65.00316	0.5
67.01879	0.9
68.99831	0.5
69.03477	0.6
70.79102	0.9
71.01389	0.8
72.99316	0.8
81.03506	0.5
82.00602	0.6
83.01396	0.6
87.00900	0.6
88.38718	0.3
94.30519	0.3
95.01375	2.2
107.01414	0.5
110.00109	0.8
111.00896	6.7
123.00910	2.7
124.01696	3.5
125.02454	16.4
126.02741	0.5
127.00403	2.3
136.98808	4.7
139.00381	7.4
140.01173	11.6
151.00389	2.8
154.99869	1.0
168.00656	8.9
169.01440	14.3
199.26027	0.4
235.13330	0.9
343.15561	1.2
369.13443	1.0
387.14517	100.0
388.14832	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	1.2
59.01385	77.4
60.01738	0.8
68.06323	0.6
71.01385	17.2
72.99312	1.0
73.02968	0.8
75.82517	0.6
84.38600	0.8
85.02964	4.1
87.00906	1.0
89.02444	14.8
91.93921	0.7
95.01387	1.7
100.14269	0.7
101.02471	11.4
113.02479	6.2
119.03512	4.8
128.06853	0.7
128.45000	0.7
138.75206	0.8
158.24338	0.8
163.11310	5.2
164.11668	0.8
169.87637	0.8
196.48396	0.7
207.10294	17.6
208.10669	1.1
229.15184	0.7
387.16623	100.0
388.16962	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	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25437	0.6
57.03445	1.4
58.00596	1.3
59.01387	83.4
60.01714	1.3
62.32388	0.7
69.10654	1.6
69.11055	3.4
71.01392	14.0
72.99314	1.7
73.02940	1.0
74.61592	0.6
83.01382	1.4
83.59795	0.7
85.02960	7.1
85.25038	0.6
89.02454	15.2
95.01416	1.2
99.00877	0.8
99.06808	0.8
101.02454	9.4
113.02470	6.0
119.03512	6.1
125.02456	3.8
147.08174	1.3
149.02420	0.7
158.62138	0.7
163.00369	1.3
163.11299	33.7
164.11661	1.9
191.03528	0.9
205.05182	0.9
207.10271	0.8
226.75290	0.6
247.02486	2.7
249.04041	0.9
275.02097	0.6
387.16660	100.0
388.16940	10.8
400.09631	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01390	3.4
70.59187	0.8
70.59531	1.3
71.01375	2.4
73.02942	1.9
85.02934	1.9
89.02454	2.8
92.87002	0.5
95.01365	0.8
95.05033	2.0
101.02448	2.1
113.02482	4.1
123.04562	0.8
132.59183	0.5
137.06105	0.9
142.11969	0.6
163.11302	3.9
166.62997	0.6
181.12364	13.5
182.12675	0.6
189.54340	0.5
205.12497	0.7
207.10318	1.0
223.13362	1.7
225.11337	100.0
226.11687	7.3
249.11287	5.2
267.12424	2.0
347.89325	0.7
387.16653	1.1
388.16306	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.87002	0.8
55.02137	0.9
59.01383	11.5
66.70275	1.0
71.01378	7.6
73.02952	8.9
85.02967	3.0
89.02452	4.6
95.05022	1.8
101.02469	5.3
107.05027	1.5
109.06593	2.3
113.02480	5.5
119.03527	1.4
121.06606	1.7
137.06087	1.3
145.10342	1.0
161.09854	1.6
163.11298	14.4
164.35751	1.0
181.12350	48.4
182.12727	4.1
195.13811	1.0
198.07347	1.0
205.12343	2.3
207.10304	7.9
223.13356	2.0
225.11334	100.0
226.11621	6.8
228.65450	1.2
249.11333	7.2
267.12384	5.0
287.79199	0.9
327.14502	3.0
387.16583	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	387.2026
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01883	1.1
58.00610	1.0
59.01385	100.0
60.01726	1.2
67.69508	0.6
70.81506	0.7
71.01392	23.0
71.27815	1.0
71.28177	0.9
72.99318	1.3
73.02952	10.0
82.70668	0.6
83.01394	4.6
85.02966	6.1
87.00925	1.2
89.02457	15.0
89.02964	1.2
95.01429	1.3
99.00916	1.8
101.02451	18.5
113.02455	6.9
119.03519	8.1
125.02417	0.8
131.03552	2.0
143.03564	2.1
149.04517	0.8
161.04576	4.4
174.87395	0.7
179.05707	2.4
180.06697	1.2
209.57130	0.6
279.36444	0.7
345.19183	4.3
346.19766	0.8
367.45093	0.8
388.11533	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	387.2029
Annotation	Ilicifolinoside B
Peak:m/z	Relative Intensity
57.03451	2.2
58.00593	1.3
59.01138	1.0
59.01391	12.3
61.17411	1.0
69.03479	1.0
71.01040	1.2
71.01396	15.0
71.27675	1.4
72.40527	1.1
72.99310	2.0
73.02952	3.0
80.36679	1.2
83.01382	2.6
83.34084	1.0
85.02961	7.3
86.00092	1.0
87.00868	2.3
89.02432	3.1
95.01432	1.5
99.00866	1.4
101.02457	7.4
111.00953	1.2
113.02506	2.4
141.83449	0.9
144.92216	1.1
192.16875	0.9
201.11343	2.7
225.15007	7.9
246.08202	0.9
268.91330	1.0
289.06775	1.1
298.40707	1.0
369.19287	3.1
387.20242	100.0
388.20517	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	388.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	43.0
63.01501	13.1
64.34151	13.4
64.38676	12.5
69.37083	100.0
71.01388	25.3
84.00922	13.2
85.02975	17.4
101.02492	13.8
105.03471	15.8
108.02171	21.6
117.03490	28.8
123.00924	26.6
123.04562	21.8
131.01411	12.5
133.02975	22.4
145.02972	55.2
147.04514	23.4
157.02983	20.7
159.04572	17.4
160.01637	18.7
161.02451	84.9
163.04028	27.9
169.01451	15.1
171.00870	14.8
172.01796	15.2
173.02470	39.6
175.04082	19.2
177.01976	26.0
179.03596	14.8
183.10304	67.0
185.02568	14.3
187.00357	34.3
188.01193	16.6
189.01938	67.3
190.02675	19.6
190.99896	18.2
191.03500	38.5
201.01944	50.3
203.03574	35.1
205.01474	14.5
214.99794	27.6
216.00642	23.1
217.01463	71.6
219.03032	17.6
229.01466	52.7
230.02068	15.5
230.75281	14.2
235.02501	17.5
242.99257	20.3
243.02995	16.7
245.00911	54.0
247.02524	44.4
259.99570	18.6
261.00354	45.8
273.00403	40.7
275.02057	74.6
286.98456	14.3
300.99997	63.5
325.02905	19.5
333.02451	32.7
339.02478	20.4
347.02374	18.3
361.01868	37.0
375.01865	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.3
59.01396	45.4
61.63073	6.9
69.00683	7.1
70.74249	7.3
70.74577	15.0
71.01376	46.0
73.02938	9.9
77.97803	7.0
79.92753	8.9
84.74507	7.0
85.02966	22.5
87.00872	8.0
87.17299	6.6
89.02435	10.4
93.03474	25.3
101.02435	35.8
113.02468	19.1
133.32643	7.4
137.02469	64.1
161.04585	13.4
183.13943	21.1
191.31206	7.2
226.11592	13.2
227.12918	32.4
345.19125	24.4
389.12387	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	388.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	86.9
62.83329	43.5
71.01384	71.9
71.26353	61.6
85.02946	53.3
87.28561	42.7
98.22282	45.2
99.99263	61.8
101.02425	57.6
101.87418	42.7
118.77607	43.1
132.58255	43.5
150.97180	40.4
201.11365	100.0
329.23398	53.2
345.18872	51.2
347.24347	85.4
355.07602	41.0
388.24380	72.4
389.25427	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45991	36.0
58.73359	28.0
59.01368	100.0
60.76690	30.1
65.07848	26.8
70.73306	32.9
71.01369	90.7
71.28426	49.6
85.02993	42.9
89.02457	58.1
90.07140	30.2
101.02448	84.1
113.02441	69.0
117.03436	43.9
119.05045	78.0
129.05606	38.6
145.02977	84.2
161.04556	92.9
162.67552	32.4
163.04134	31.2
183.13882	49.8
200.99567	59.0
227.12900	66.1
241.13852	27.4
243.02853	51.3
345.19189	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40176	8.9
57.42999	8.2
61.98832	100.0
67.69986	8.7
81.87133	8.8
89.54502	9.6
91.37086	8.6
98.21998	64.2
106.77556	10.0
109.18542	9.2
125.02512	11.1
135.23759	8.4
155.83139	10.2
169.01466	15.0
228.86456	10.3
380.82983	9.4
388.18503	58.8
389.18918	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	389.0519
Annotation	Trifuhalol A
Peak:m/z	Relative Intensity
52.73817	1.9
53.73339	1.8
64.83610	2.2
70.14185	6.8
93.14310	2.0
93.44276	1.7
98.22061	4.0
116.36515	2.1
216.00517	2.2
239.90747	2.0
241.98457	2.9
259.99582	6.2
270.85614	2.2
271.99533	2.3
272.96777	5.6
274.98358	2.4
287.99222	2.5
297.97562	5.1
300.96454	16.2
315.98639	24.7
316.98962	2.1
328.95761	11.9
329.96323	2.1
343.98074	37.5
344.98672	3.5
359.00500	100.0
360.00757	9.7
374.02817	46.4
375.03186	3.2
389.05139	36.2
389.19821	4.3
390.05081	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	389.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03451	12.4
57.99659	0.7
59.01385	6.3
62.59544	0.7
67.01936	0.8
68.99827	0.9
70.29539	2.3
71.01380	4.1
72.99294	1.9
82.88471	0.7
83.01369	1.7
84.02166	2.4
85.02959	100.0
86.03294	2.7
87.00860	1.4
89.02452	1.6
103.00359	1.9
111.00901	1.7
129.01959	10.4
133.01439	2.1
135.04543	13.5
137.02472	2.1
137.04730	0.7
147.03012	15.1
169.01479	1.2
173.00951	1.7
173.02406	0.7
185.53195	0.7
191.01993	37.8
192.02284	1.4
209.01010	1.3
209.03041	26.1
253.90672	0.7
278.36417	0.7
290.28647	0.7
371.06281	1.4
385.81454	0.8
389.07480	3.8
390.07898	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	389.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
55.20015	0.8
57.03455	15.0
58.79558	0.7
59.01383	6.5
67.90764	0.8
68.99825	0.9
71.01391	7.0
72.99319	2.4
73.02927	1.1
75.00887	2.9
83.01405	4.0
84.02199	2.2
85.02960	100.0
86.03297	2.7
87.00867	1.1
101.02473	1.6
103.00346	1.2
111.00874	6.0
115.00421	1.5
121.02978	3.0
123.00874	0.9
125.02480	1.2
129.01959	8.6
145.03014	1.2
147.03018	12.4
148.03329	1.1
153.05595	2.1
155.84169	0.7
173.00940	2.2
188.08629	0.8
191.01999	20.8
197.04565	3.6
201.01903	1.0
209.03055	11.5
210.03642	0.8
217.01382	1.1
223.04665	1.1
300.99799	1.5
362.02841	2.5
363.64920	0.9
364.72839	0.9
376.02499	1.4
389.07285	1.2
404.52692	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	389.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
56.41150	0.7
57.03451	13.6
59.01373	5.9
68.99825	1.2
69.10345	1.0
69.10506	2.6
69.10933	4.4
71.01386	4.2
72.99298	1.3
79.47449	0.6
83.01360	1.4
84.02164	2.5
85.02959	100.0
86.03309	2.3
87.00874	1.4
89.02473	1.2
98.22543	1.5
102.17422	0.8
103.00394	2.1
109.02975	0.7
129.01964	9.7
133.01425	1.4
135.04536	11.4
137.02440	1.0
147.03020	14.2
173.00882	1.2
184.58969	0.7
191.00209	1.7
191.01987	35.2
192.02493	1.1
209.03046	22.6
238.06392	0.8
293.38983	0.8
389.07275	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	389.0731
Annotation	Permethrin
Peak:m/z	Relative Intensity
59.01379	8.7
69.08390	21.3
69.82908	2.0
71.01392	7.5
71.05010	4.0
79.01900	4.3
85.02959	16.2
87.85393	2.1
95.01370	4.1
97.02987	11.6
98.21765	3.4
107.01369	2.7
121.02966	6.5
123.00903	3.2
124.01630	6.3
125.02446	8.8
137.02492	10.7
139.04027	54.3
146.02509	2.8
147.00819	2.2
151.04028	2.9
163.00453	10.7
164.01184	18.6
165.01950	37.7
166.02420	3.2
166.99832	6.2
168.00635	8.6
169.01453	4.9
179.03481	10.3
182.02295	11.9
183.02977	30.7
189.01900	4.7
190.99904	47.1
192.00221	2.7
197.04550	30.8
209.00958	32.2
225.04033	8.9
227.05615	36.1
285.06250	14.1
329.05304	6.2
345.08121	15.6
346.08392	2.9
389.07184	100.0
390.07642	8.7
404.64063	2.9
405.30249	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	389.1091
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01883	1.0
57.03445	0.8
59.01395	4.1
59.76612	0.5
61.65905	0.4
62.63814	0.4
65.00363	0.6
66.35575	0.4
67.01889	1.5
69.03451	0.9
69.09943	3.9
71.01389	5.6
72.99313	0.7
73.02952	3.1
76.92529	0.4
77.11059	0.4
79.01907	0.5
81.20813	0.4
83.01407	2.6
85.02966	5.3
87.00877	1.1
89.02438	0.5
95.01401	2.6
97.02953	0.8
98.22554	0.9
99.00877	1.0
101.02441	4.5
107.01394	4.3
110.00079	0.6
111.00899	3.0
113.02447	2.2
117.03474	0.8
123.00900	16.8
124.01721	0.6
125.02462	16.9
126.02785	1.1
127.00379	1.3
133.02864	0.6
136.98840	1.6
139.00385	6.8
139.38031	0.4
140.01215	4.0
141.01938	2.2
145.02985	1.3
147.04572	0.6
151.00388	12.4
153.01971	0.7
159.04596	0.4
161.02408	1.5
161.04594	0.6
163.04036	0.9
168.00697	3.9
169.01440	22.4
170.01770	0.9
173.02498	1.0
175.03978	0.4
179.03523	0.8
181.05122	0.5
189.01953	0.6
191.03526	1.1
191.05533	0.6
193.37924	0.4
197.04556	0.6
201.01973	0.9
203.03526	1.3
211.02364	0.6
217.01393	1.2
219.03064	0.5
229.01392	1.8
231.02965	0.6
233.00890	0.5
235.02359	0.6
245.00958	0.7
247.02469	0.8
249.03865	0.6
253.03549	0.7
257.00922	0.7
271.04590	0.5
273.00473	0.7
275.01947	3.5
300.99881	4.0
313.05664	2.1
348.03088	0.6
362.02756	3.2
368.02716	1.1
376.02585	1.2
381.01773	0.7
389.10910	100.0
390.11234	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	389.1822
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03434	1.2
59.01381	9.2
59.27768	0.6
69.03147	1.7
69.03549	5.4
71.01382	6.2
72.99344	0.7
73.02955	0.8
85.02964	1.7
89.02453	4.9
95.01399	1.5
98.22533	1.5
98.26031	0.6
101.02457	2.5
111.08172	2.0
113.02481	4.1
113.03152	0.7
119.03474	1.5
161.04520	0.9
165.12866	25.8
166.13232	1.7
183.13908	79.3
184.14240	5.5
197.15468	1.8
207.13896	2.0
209.11908	3.4
225.14996	1.4
227.12907	100.0
228.13260	8.0
251.12909	4.9
269.14014	2.2
293.14050	1.3
353.02704	0.9
389.18027	1.8
389.25574	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	389.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46141	45.5
60.21902	50.8
61.98838	84.3
65.62577	53.2
65.86337	56.0
71.26534	100.0
94.14238	50.9
153.10764	53.6
202.35257	54.7
336.26025	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	45.1
61.19939	24.7
61.98834	100.0
67.53265	21.7
70.68654	21.6
71.27803	37.8
72.21062	20.4
76.87986	19.1
78.95966	20.9
81.03463	40.1
114.68408	21.6
125.02464	60.4
218.56279	22.9
270.14651	24.1
275.02036	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42914	2.0
59.01379	7.3
59.24626	2.2
61.96014	2.2
70.82822	2.6
71.27837	3.3
82.24364	2.1
88.98805	22.0
93.03493	7.1
94.96190	2.5
119.05104	6.3
145.02968	3.0
151.00363	2.6
151.04034	2.8
169.01491	5.2
182.03740	4.7
183.04512	43.1
184.04863	3.9
184.14238	2.7
185.02434	3.2
203.22177	2.7
209.06100	5.7
216.91452	2.3
227.03511	100.0
228.03862	6.6
238.91974	2.8
311.13815	3.3
364.40640	2.6
390.93301	18.1
391.08325	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1038
Annotation	Breynioside A
Peak:m/z	Relative Intensity
55.01867	1.5
57.03440	2.2
59.01377	10.1
64.34547	1.1
67.01908	1.0
68.99828	2.5
69.03437	1.4
71.01389	24.7
71.26824	1.7
73.02967	5.9
79.01911	1.4
81.03433	1.0
81.59761	1.0
83.01408	4.7
85.02962	18.9
89.02440	2.6
93.02884	2.3
93.03470	44.1
94.03800	1.7
95.01392	13.0
96.99310	1.8
97.02946	3.1
99.00859	2.9
101.02453	16.0
107.01378	4.5
108.02190	49.9
109.02970	55.6
110.03295	1.8
113.02473	12.2
119.05034	1.3
121.02956	3.3
123.00899	10.5
124.01646	1.0
124.33746	1.1
125.02456	20.0
136.01672	3.7
137.02466	85.0
138.02802	3.2
139.00357	2.3
145.02971	1.6
147.04510	2.7
149.02429	1.3
151.03915	1.4
151.61581	1.0
159.02945	0.9
161.02489	1.8
161.04626	2.3
163.03993	1.8
166.99858	2.7
168.00641	1.4
169.01453	26.2
170.01805	1.6
191.03479	3.4
201.01993	1.8
203.03462	1.4
211.13339	1.3
221.04483	1.5
227.00041	1.2
229.01328	2.4
230.02101	1.1
231.02835	1.2
247.02473	2.2
273.00430	2.3
275.01859	1.7
281.06699	94.4
282.06967	5.9
287.02991	1.6
293.03357	1.1
298.98251	1.3
299.99146	1.0
300.99857	3.1
301.02902	2.2
306.02051	4.1
306.52191	1.4
315.02411	2.5
382.02722	1.8
390.89529	4.4
391.10373	100.0
391.18793	2.8
392.10693	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	391.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33736	1.5
52.51262	1.4
56.55331	1.3
57.03456	1.9
59.01381	23.9
61.98844	2.1
69.31573	1.5
71.01380	5.8
71.27118	1.9
73.02953	2.7
85.02965	2.7
89.02446	1.8
93.03449	2.5
95.01384	1.9
101.02452	3.5
102.21964	1.5
107.01410	3.1
108.02205	3.1
109.02950	1.8
110.87940	1.7
113.02477	2.6
121.02966	13.3
122.03739	6.6
123.00914	3.0
123.04537	8.7
125.02467	15.2
132.02205	2.0
133.02977	4.7
134.03758	3.4
135.04549	6.2
136.05312	19.2
137.02463	2.9
137.06114	3.5
139.00415	1.7
142.84267	1.6
147.04568	2.0
149.02441	23.0
149.06152	2.5
150.03246	72.0
151.00381	1.7
151.04021	15.7
151.07571	2.4
152.01140	5.2
164.04793	6.2
165.05594	45.3
166.06009	2.3
167.03577	7.4
168.00554	1.8
169.01457	16.8
180.04297	3.8
181.05063	6.0
186.37286	1.8
194.05846	1.6
195.06656	45.7
196.07013	1.9
202.02795	1.6
283.09860	7.5
284.10562	1.8
301.00171	2.3
311.09259	8.8
312.22763	2.1
316.05148	3.8
316.08994	2.1
317.03085	3.8
343.11890	100.0
344.12225	10.3
390.89621	2.8
391.03070	4.6
391.14078	10.3
391.19620	11.1
394.82123	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05598	0.5
56.53672	0.5
59.01384	100.0
60.01701	1.1
65.80066	0.5
69.39967	2.4
71.01399	2.7
73.02952	0.8
85.02963	1.5
87.09184	0.5
89.02437	0.6
98.22481	1.1
99.00906	0.9
100.54414	0.6
101.02480	2.2
101.45168	0.6
102.81121	0.5
113.02457	1.0
114.00111	0.6
146.89632	0.5
151.93176	0.5
161.04584	2.7
209.91826	0.7
218.70686	0.5
228.29808	0.6
331.17725	1.1
391.19992	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32814	0.9
58.00581	0.9
59.01386	100.0
60.01711	1.9
61.98832	3.1
69.25190	6.8
69.25593	2.1
71.01387	20.4
72.99326	1.2
85.02988	3.0
87.00930	1.2
89.02457	32.3
101.02447	8.9
107.09655	1.0
112.31405	1.0
113.02477	6.5
119.03521	14.9
131.03506	1.4
143.03535	2.3
149.04648	1.3
161.04596	3.5
177.18790	0.9
179.05666	6.7
193.01982	1.2
235.38809	1.0
263.36780	1.0
322.23651	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42023	0.5
59.01385	100.0
60.01722	1.2
69.39616	3.7
71.01392	3.0
73.02957	1.4
79.50050	0.5
80.03773	0.6
85.02967	1.3
98.22474	1.2
100.14548	0.5
101.02486	1.6
113.02483	0.9
159.03027	0.7
161.04619	2.7
169.01550	0.7
188.45221	0.6
331.17691	1.2
391.19830	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50569	1.6
59.01386	100.0
60.01705	2.2
62.57090	1.5
63.75191	1.7
65.00325	1.6
69.17143	4.2
69.17546	11.7
71.01392	31.1
71.70758	1.6
72.99325	3.5
85.02962	4.7
89.02454	35.5
91.01896	2.0
94.71664	1.8
95.01417	2.0
98.22018	6.3
101.02447	13.6
107.01374	2.0
113.02461	10.7
119.03535	14.2
123.00912	3.3
125.02481	17.1
131.03561	1.8
132.15186	1.6
137.02423	3.4
139.00362	1.8
143.03488	4.6
158.72246	1.7
161.04517	3.6
163.00388	2.8
167.03452	4.5
168.00583	1.8
169.01491	13.2
175.03955	3.2
178.92572	1.9
179.05594	11.0
190.77441	1.5
191.03590	2.3
203.03416	2.4
229.01405	2.6
229.14540	2.6
245.00931	2.2
247.02437	3.0
249.06328	1.7
254.41408	1.7
275.01959	4.3
298.98260	2.5
300.99994	10.1
302.00317	3.2
310.49765	1.8
316.06839	2.8
391.27005	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	391.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70355	0.5
70.70711	0.8
74.27711	0.4
85.97080	0.4
89.83101	0.5
115.08656	0.4
116.92933	0.4
125.02435	0.4
138.03227	0.6
139.04051	3.0
145.24841	0.4
154.00110	0.4
167.02156	0.7
167.03517	12.1
168.04060	0.7
171.02573	0.4
179.03496	0.9
179.41663	0.4
180.04153	0.6
181.05116	1.0
219.10364	0.8
236.10762	0.5
237.11380	0.9
240.24954	0.4
269.54053	0.4
291.16040	1.1
305.21240	0.9
333.20743	21.5
334.21497	100.0
335.21884	11.1
376.22580	8.1
377.22766	1.1
383.74466	0.4
391.24896	5.5
392.25266	1.1
405.09906	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	392.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
70.11536	38.2
70.11938	32.5
84.98816	17.0
113.86247	19.0
118.94257	20.0
148.52234	16.6
163.20670	18.9
299.02097	56.2
314.04367	46.2
329.06650	59.5
356.80756	19.4
392.24683	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62814	7.5
57.59047	7.1
61.98838	100.0
62.98278	7.5
64.82828	9.4
70.45773	19.2
78.93907	7.1
98.21868	8.9
109.80035	6.7
125.02463	25.3
125.50961	8.2
152.27347	7.0
169.01424	30.1
169.40398	7.6
182.56978	7.3
189.10358	8.0
218.42012	9.5
258.04428	7.8
273.15146	11.6
359.06912	8.2
399.62546	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	393.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	2.5
67.01898	0.6
69.14948	0.7
69.15347	3.4
81.93340	0.4
82.12356	0.5
83.01405	0.8
91.01908	1.0
93.03462	10.2
108.99394	0.6
109.03002	0.6
111.00895	9.1
112.01246	0.6
115.05553	2.2
117.03476	14.4
117.04302	0.8
117.59299	0.4
118.03804	0.7
119.05038	100.0
120.05365	4.8
121.02957	1.9
131.05029	0.5
133.02985	0.6
133.06544	0.8
135.00867	2.1
143.05038	35.3
144.05379	2.0
145.02969	36.2
146.03368	1.4
153.01945	0.8
156.05856	2.5
157.06592	4.6
159.04564	1.0
159.08163	12.1
160.08519	0.7
161.06091	10.2
162.06386	0.9
163.04036	0.5
167.04977	0.7
169.06593	1.9
183.08218	0.7
184.05309	1.6
185.06093	23.5
186.06390	2.0
187.04027	3.7
187.07666	1.1
203.07161	12.3
204.07512	1.1
211.07663	6.4
212.07878	1.0
213.05466	0.5
213.59981	0.5
227.07202	1.3
229.05063	26.2
230.05391	2.5
237.09213	11.1
238.09589	0.9
255.06638	12.0
256.06976	1.1
261.09113	0.6
263.10883	1.6
267.83731	0.5
289.08737	0.5
299.05710	2.4
305.11853	25.9
306.12155	3.3
307.09769	13.2
308.10172	1.7
316.32251	0.4
349.10849	9.6
350.11298	1.0
350.35156	0.5
393.09863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06773	1.7
69.07198	1.7
93.03468	11.5
94.03838	0.4
95.82153	0.4
105.35251	0.4
109.80479	0.4
111.00869	0.5
115.05518	0.8
117.03484	15.3
118.03743	0.7
119.05043	100.0
120.05383	4.8
121.02983	2.9
123.04577	1.0
125.02505	0.5
133.03009	1.2
133.06627	1.0
134.03752	0.4
135.00909	0.9
143.05045	19.6
144.05373	0.9
145.02972	36.9
145.06630	0.8
146.03419	1.7
147.04565	0.7
156.05800	2.6
157.06602	6.2
159.04517	1.0
159.08174	18.9
160.08505	1.3
161.06099	9.3
162.06412	0.6
163.04037	1.1
169.01556	0.5
171.04550	0.7
184.05304	1.9
185.06097	30.6
186.06409	2.4
187.04034	5.7
187.07661	2.8
199.07632	0.6
203.07191	3.9
211.07625	1.3
229.05090	8.3
237.09236	9.5
238.09641	1.0
255.06589	3.2
261.09268	0.6
263.10834	1.6
265.08707	0.5
287.10895	0.9
289.08835	0.8
305.11868	39.4
306.12198	4.4
307.09790	21.0
308.10147	2.3
349.10849	17.6
349.15250	0.4
350.11185	2.6
367.80844	0.4
393.09860	5.1
394.10110	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	393.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.2
59.01371	3.1
59.48476	2.4
61.98834	10.7
69.13844	2.6
69.88996	13.1
77.42741	2.9
81.03546	2.6
81.04036	2.6
83.01389	11.6
97.02944	3.8
107.01405	3.8
109.02963	8.1
111.00905	6.4
119.05038	8.9
121.02940	16.9
123.00896	3.8
125.02460	100.0
126.02776	5.5
130.08745	4.5
135.04529	4.2
136.93100	2.7
137.02451	51.4
145.02989	21.3
149.02438	9.7
150.03253	5.8
157.06635	6.9
159.04474	15.3
161.02502	4.0
161.06099	11.0
169.01427	24.0
175.07695	4.7
178.74797	3.0
183.04617	3.9
185.06099	8.6
187.04060	6.1
199.07687	7.2
201.05583	11.1
203.07092	5.2
209.06136	5.4
211.04034	4.9
213.05545	7.2
225.05595	6.3
227.07185	7.2
229.05077	4.4
230.02086	4.2
241.03638	3.7
243.06641	33.5
253.04988	19.1
255.06606	7.7
271.06168	28.1
272.06500	3.2
289.08713	3.7
307.09827	5.2
331.09711	2.9
349.10721	10.1
375.09085	5.0
389.42441	2.8
393.05341	3.7
393.09833	12.0
393.21274	12.8
394.10599	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	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12743	0.8
55.01883	1.2
55.98881	0.7
58.00586	2.1
59.01385	87.6
69.03458	1.4
69.18387	7.0
71.01390	61.8
72.01743	1.2
72.99319	3.8
73.02954	17.1
73.03333	1.5
81.03496	0.8
83.01401	1.6
85.02954	7.7
87.00888	1.5
89.02454	100.0
90.02782	1.6
95.01412	2.8
99.00893	28.6
100.01241	1.4
101.02455	39.5
101.03128	2.0
113.02469	16.5
119.03518	17.1
125.02478	5.2
131.03525	14.4
143.03577	2.9
149.04573	46.3
150.04932	1.6
161.04564	3.0
169.01460	1.7
179.05644	6.3
180.69669	0.9
191.05632	10.7
206.86546	0.8
221.06808	1.7
233.06799	1.1
233.52808	0.8
251.07729	3.5
261.13507	1.5
263.21710	0.8
279.04691	0.9
306.60788	0.8
320.36163	1.0
393.17703	20.6
394.18008	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	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62278	0.4
58.00579	0.6
59.01385	100.0
59.61505	0.4
60.01722	1.1
60.90939	0.4
71.01393	8.1
71.27145	0.5
71.27489	0.5
76.62731	0.5
82.66813	0.4
83.06752	0.5
85.02940	0.7
89.02450	10.7
89.02959	0.9
93.44249	0.5
95.01437	0.7
98.21790	0.4
101.02455	3.2
113.02482	2.8
113.50995	0.5
119.03516	3.6
125.02519	0.7
143.03508	0.8
161.04564	0.8
169.01482	0.7
179.05702	1.8
241.33817	0.6
272.02817	0.6
366.59879	0.6
395.54480	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	393.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77843	23.8
69.78179	100.0
114.54184	20.9
146.17366	21.7
169.01424	22.0
201.20836	21.6
248.01483	21.9
319.98212	22.7
331.12048	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	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35401	23.0
69.89400	100.0
69.89747	26.7
73.84475	25.0
131.03651	24.7
152.33408	27.9
354.87967	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56068	1.9
58.81994	1.9
59.01381	2.9
61.98835	100.0
62.89818	1.9
68.95787	21.3
71.60392	1.9
122.40029	1.9
125.02464	41.1
126.02832	2.8
147.04572	1.9
162.99194	1.7
169.01439	96.7
170.01830	4.1
183.35632	1.6
185.02530	1.8
247.02342	2.3
249.04022	2.1
257.00830	2.8
278.03778	2.2
293.03311	2.7
305.41873	2.0
331.06689	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69272	6.7
59.01370	10.6
61.98835	42.8
65.78040	5.7
69.48490	31.2
71.01369	10.2
71.61676	7.2
74.50247	6.0
87.00940	6.9
88.98824	13.0
89.18917	6.5
98.22535	6.6
109.02957	12.2
121.72433	6.5
123.00862	11.9
125.02460	23.8
131.07216	5.9
131.08290	7.7
132.75294	6.6
150.80380	8.0
151.00398	8.6
169.01508	38.5
211.02510	11.3
271.04623	14.9
288.76926	7.3
291.82034	5.9
331.06760	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14938	5.2
59.01376	12.2
61.98836	100.0
69.08572	9.3
69.08971	42.7
72.88796	4.8
83.05047	6.0
93.03453	14.9
119.05079	11.2
123.00882	7.7
125.02529	26.3
133.06587	20.0
159.08147	6.8
169.01443	23.5
198.29601	5.0
201.09261	28.5
287.05151	5.8
289.59250	6.8
307.13455	33.2
318.06937	6.4
395.00549	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	394.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72620	1.9
53.13498	2.1
61.11876	1.9
61.98827	11.0
70.26590	4.6
70.82317	2.2
75.74516	1.7
76.41794	1.9
78.95917	100.0
91.03461	1.9
96.96940	4.6
132.91902	2.3
150.03148	2.4
302.43607	2.0
394.23538	18.1
395.07059	2.7
395.23972	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	395.008
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
67.77210	0.5
76.85316	0.7
107.01395	0.6
108.01486	0.5
108.02196	0.8
117.94175	0.5
118.20090	0.4
135.01015	0.6
145.48219	0.5
147.57747	0.4
148.01736	1.0
151.00369	0.6
155.23518	0.5
175.04353	0.7
227.03595	1.5
237.64049	0.5
243.03011	6.3
254.02281	0.8
255.02986	18.7
256.03387	1.5
271.02515	38.8
272.02936	4.0
299.02097	0.9
300.02783	100.0
301.03119	9.3
301.06284	0.8
315.05130	78.6
316.05472	7.2
387.50250	0.5
395.00781	11.4
396.00873	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	395.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19635	3.2
55.81925	2.9
57.48832	3.2
60.99303	10.4
64.24632	3.2
88.98815	100.0
95.92440	3.2
105.49813	3.0
130.88068	3.1
197.04527	6.0
228.64963	3.5
233.73570	3.4
367.59769	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	395.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
60.99309	15.1
61.98845	3.5
71.01374	2.7
71.24844	2.9
72.99272	2.7
78.95914	2.2
79.52565	2.3
85.02927	4.2
87.00892	9.1
88.98816	100.0
96.96971	3.0
98.12955	2.3
109.39281	2.5
131.08264	3.8
133.01450	2.2
138.93878	2.2
171.94649	2.4
173.10411	2.4
182.02254	2.8
197.04497	5.7
259.98297	2.3
267.07248	8.0
278.90814	9.1
290.87354	2.7
305.03149	3.3
307.04495	2.4
322.89835	9.6
366.88425	3.1
395.09866	2.6
401.67307	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	395.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
59.43039	0.4
60.26463	0.4
67.78004	0.4
71.01025	0.6
71.01385	6.6
71.28786	0.6
73.02942	2.3
78.95898	0.4
83.01382	0.8
85.02959	2.7
89.02440	0.8
89.70902	0.4
95.01385	0.5
99.00864	0.9
101.01875	0.5
101.02448	3.5
109.02957	1.6
113.02464	3.3
121.06598	0.9
122.03735	3.3
125.02419	0.8
134.03731	5.9
135.04530	10.7
136.05336	2.3
145.02956	0.5
148.05315	9.3
149.06091	36.1
150.06882	15.6
151.07571	1.7
155.10809	0.4
159.03029	0.7
161.04578	3.6
162.06863	1.4
163.07660	6.5
164.04805	4.8
175.82809	0.4
181.12309	2.6
205.12411	2.1
209.15610	0.6
215.14439	1.2
217.12273	0.6
218.13152	2.3
219.13910	5.8
229.16057	0.5
231.13902	0.8
232.14687	100.0
233.15414	37.0
234.15892	2.9
237.14972	1.2
239.23618	0.4
247.13379	5.0
247.17113	0.8
257.15402	0.8
265.14386	3.1
272.73804	0.4
275.16501	2.3
278.70587	0.4
285.14880	0.5
317.14075	0.5
395.21051	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	395.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26828	100.0
80.92223	88.1
84.79906	90.9
91.48681	87.9
97.75444	83.2
101.71173	87.4
105.16924	81.4
118.64407	86.9
139.53738	96.8
144.91469	94.3
157.14282	86.8
166.29314	92.0
225.15543	92.2
295.64932	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65848	1.0
54.40515	0.9
59.01385	100.0
68.01430	1.9
71.01384	4.3
75.02451	1.0
87.53457	1.0
92.05057	1.3
98.21750	3.0
98.22469	5.2
101.02485	1.7
107.32932	1.2
110.02483	1.5
129.26016	1.6
130.48480	1.0
147.04539	4.0
161.04628	2.1
171.08926	1.1
181.32341	1.1
191.03569	1.4
203.05621	2.5
230.06728	3.7
240.99431	1.2
329.87280	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	396.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.7
60.98840	12.1
61.98833	45.3
66.08971	12.8
69.38589	100.0
74.74618	12.2
96.59714	12.7
98.22033	45.0
103.47185	12.4
113.02495	15.8
116.49763	12.8
127.90961	13.5
133.46890	13.4
235.09700	25.3
397.05569	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06953	3.6
68.65276	3.0
80.91695	13.7
86.31107	3.4
106.55222	3.6
117.03471	8.0
119.05083	4.2
136.04097	5.9
140.48155	3.6
145.02989	4.0
228.74113	4.1
235.09868	6.4
243.03094	5.7
255.03143	24.7
271.02499	57.1
272.02722	5.7
283.01010	12.9
300.02805	100.0
301.03009	11.5
302.57523	3.6
309.02435	8.3
311.00519	48.7
312.00995	6.0
315.05139	99.0
325.01917	9.9
325.99225	7.8
340.00763	11.9
341.00601	5.2
353.01523	35.2
354.01669	11.2
354.95435	9.9
381.00708	4.5
382.01794	58.0
382.95035	9.7
383.02063	11.5
397.04156	60.3
397.97202	21.4
398.04617	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	397.1407
Annotation	Alstoyunine D
Peak:m/z	Relative Intensity
51.79755	0.5
56.94746	0.5
66.03490	0.8
70.02979	1.8
70.03897	1.8
70.04234	0.5
91.05560	0.6
92.05067	91.7
93.05369	2.6
98.02489	9.3
109.01707	0.5
111.03252	0.8
111.84954	0.5
114.37688	0.4
115.05639	0.4
116.05070	4.7
117.03451	0.5
118.06626	1.3
130.06589	0.9
136.04053	100.0
137.04425	3.5
139.18742	0.5
143.05031	0.5
146.06152	1.4
147.04550	0.8
150.05589	0.7
156.08290	0.5
158.09770	3.5
159.08128	1.2
164.07112	0.7
173.07231	2.0
174.05640	2.7
176.03491	0.7
179.76282	0.5
184.07692	5.3
185.06021	1.1
186.05624	1.9
186.08009	0.5
200.07274	1.3
202.08675	1.0
218.04587	1.1
218.08395	0.7
228.06674	3.9
246.07642	1.1
260.09299	4.9
277.13525	1.0
303.11514	1.0
321.12436	8.8
322.12949	1.1
347.10434	0.5
365.11377	4.4
397.14056	25.5
398.14346	2.9
402.97983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
67.60599	1.5
69.30526	5.2
69.30933	7.1
71.01385	3.9
72.00922	4.5
77.29089	1.8
78.95917	7.3
80.20475	1.7
87.88749	1.6
89.02460	2.7
89.10217	1.7
89.37872	1.6
92.05070	100.0
93.05409	3.0
94.03043	2.1
101.02467	2.2
112.04060	30.1
113.55651	1.6
116.05073	2.2
125.02452	1.8
125.04850	29.9
136.04057	63.6
137.04341	2.5
144.08194	4.5
147.04527	18.2
164.07182	29.8
183.06935	5.6
187.08733	3.4
188.07191	28.8
189.07562	2.7
198.09248	22.0
199.09679	2.6
210.78003	1.7
216.10289	23.7
224.84126	1.6
232.06163	46.2
233.06517	2.5
240.57631	1.8
241.37259	1.8
260.09305	47.9
261.09534	4.7
278.31003	1.5
281.99985	1.9
301.14404	1.6
318.46082	1.7
352.24640	1.8
397.13873	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	397.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74340	0.9
54.90984	0.8
55.01882	1.7
57.03445	1.4
59.01413	1.4
61.98831	1.2
62.92108	0.8
70.94781	0.9
70.95105	1.7
81.03458	1.2
83.05025	1.9
85.30630	0.8
95.72897	0.8
97.06608	5.1
98.03773	1.3
111.08179	4.6
113.09767	1.1
116.92892	1.1
153.01978	2.1
155.04990	0.8
184.48210	0.9
219.17506	1.4
221.19145	71.2
222.19492	6.2
233.15398	0.8
233.19086	1.1
237.22246	4.2
251.20193	2.5
265.18228	6.6
265.21686	9.8
266.22055	1.0
277.21808	2.3
291.23212	1.1
293.17661	100.0
293.21149	8.4
294.17981	10.3
321.20776	13.7
322.21066	2.1
337.20248	1.1
397.22382	2.8
397.99634	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	398.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60645	0.5
51.02139	0.5
51.50369	0.6
58.35763	0.4
69.19353	0.9
69.19760	2.7
72.51215	0.5
73.02959	1.9
80.70241	0.5
123.00867	0.5
134.02538	1.2
149.85103	0.5
160.04088	1.4
162.01996	26.8
163.02771	70.5
164.03114	3.5
169.01364	0.7
171.74078	0.4
176.64124	0.5
186.02043	1.0
191.03531	0.7
195.09126	0.5
204.03020	12.0
205.03419	0.7
236.05655	100.0
237.06009	6.5
247.02577	0.7
275.01929	0.7
300.99988	1.2
323.35117	0.5
377.03046	0.7
398.10706	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	398.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52709	1.0
58.02973	4.1
59.01374	3.4
66.03487	8.4
68.05048	3.6
70.54138	4.0
71.01382	1.3
73.00516	1.1
82.02985	3.1
84.00919	1.9
84.04554	4.7
86.02529	1.3
86.06123	3.4
94.02995	2.7
96.04589	1.5
97.04077	2.9
98.06136	1.1
110.02526	1.3
110.09750	3.4
110.29115	1.4
112.04070	10.6
114.05581	1.5
122.06249	1.4
125.07243	7.9
126.09251	7.6
128.03535	4.0
129.06715	2.1
129.10342	3.7
130.05110	40.1
130.08746	9.6
133.65582	1.2
134.03732	1.6
135.05626	1.5
141.06731	1.9
143.08289	10.0
143.11905	15.0
153.06726	4.5
154.08757	66.2
155.09042	2.4
163.08853	1.5
164.10802	2.8
166.08656	1.4
168.91844	1.1
169.01221	1.3
171.07819	10.7
171.11406	32.2
172.08401	1.7
172.09814	8.5
172.11827	1.4
181.09830	10.0
182.11803	1.8
185.12956	4.3
193.05052	4.4
207.11450	1.8
213.12515	11.2
223.14525	2.5
225.12460	38.7
226.12756	3.2
243.09848	25.1
267.13474	11.8
294.18008	1.2
294.78128	1.3
336.19299	4.0
354.20490	2.2
398.19333	100.0
399.19504	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	399.0725
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
55.04973	0.7
57.03445	1.2
57.51894	0.7
69.03887	6.7
70.55107	0.6
83.01395	1.0
91.52492	0.7
93.03481	1.5
97.02956	1.2
104.29732	0.7
109.02972	0.9
109.27844	0.7
117.03461	0.9
119.05046	0.9
119.66694	0.7
121.02951	0.7
125.02454	6.7
131.05040	1.8
133.06601	1.9
135.04544	1.8
137.02463	6.4
143.04968	0.8
145.02982	1.0
145.06487	0.6
147.04485	0.8
149.06104	1.7
159.04530	10.4
161.02469	1.0
161.06079	2.0
165.01935	10.3
167.03523	0.8
169.01398	1.0
171.04565	1.1
175.03983	2.4
177.05548	1.8
179.03371	1.0
187.04025	42.3
188.04575	4.2
189.01897	1.2
189.05551	3.3
190.02765	1.8
191.03442	1.7
192.00618	0.8
193.01379	1.9
199.04010	1.1
203.03505	5.8
204.04239	3.0
205.05080	20.8
206.05414	1.1
207.03012	4.6
215.03513	14.1
216.03758	1.0
219.03000	2.5
227.03513	2.4
231.02991	3.8
232.03697	2.7
233.04559	100.0
234.04924	7.9
236.03354	0.8
243.03090	0.9
245.04495	2.9
255.03006	3.0
256.03683	1.1
259.02759	1.5
260.03223	2.5
261.04050	18.2
262.04437	1.2
267.06641	0.9
268.02579	0.7
273.03995	5.8
274.04532	0.6
291.58972	0.7
295.06204	2.3
313.07327	3.5
315.05017	1.1
327.08664	1.2
337.07224	2.0
342.00833	2.4
355.08328	2.3
363.00534	1.1
373.41455	0.7
381.06119	4.3
385.02606	1.0
399.07254	22.4
400.07419	2.9
418.22141	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	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24623	1.0
55.01870	4.2
57.03455	23.0
59.01381	1.6
61.91428	1.1
71.01405	6.3
72.99282	1.9
73.02946	2.8
75.00848	1.8
83.01403	8.8
84.02175	1.5
85.02959	100.0
86.03277	2.5
100.77841	1.3
101.02462	5.6
110.15504	1.2
111.00900	32.8
117.03465	1.1
123.07213	1.1
125.02470	3.2
129.01958	43.9
134.03719	11.9
137.02452	1.8
148.94278	1.3
161.02426	1.2
161.04532	3.6
163.00345	1.3
169.01520	1.5
175.04074	1.9
178.02698	1.2
187.02464	1.5
193.05118	5.8
205.03531	23.3
223.04605	17.6
247.02504	2.5
257.01059	1.7
275.01913	4.3
300.99884	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	399.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86974	0.6
54.09480	0.5
55.15277	0.6
62.49913	0.5
63.45542	0.6
63.62651	0.6
66.53458	0.6
69.05432	6.4
70.02984	1.3
72.00909	3.0
74.02473	1.2
82.02987	1.2
84.00928	1.2
92.05070	79.9
93.03468	5.2
93.05406	2.6
96.45043	0.7
98.02489	100.0
98.22162	2.9
99.02830	2.5
106.04232	0.8
107.05044	0.7
110.02520	0.7
111.03287	6.4
112.04064	9.7
119.05038	16.5
120.05352	0.6
121.28608	0.6
128.05093	0.9
129.05853	0.7
130.06648	27.2
131.05070	2.9
131.06987	1.4
136.04059	49.0
137.04381	2.2
144.04570	2.2
146.06152	3.4
156.03023	2.0
157.06578	4.5
161.04886	1.0
163.04024	18.0
172.07721	2.8
173.07196	3.5
174.05615	44.8
175.05959	2.3
176.03522	0.7
180.06682	54.9
181.07019	3.8
199.05080	0.8
200.03503	1.0
200.07198	17.8
201.07526	1.9
218.04605	59.0
218.08026	13.4
219.04878	5.4
219.08551	0.9
262.07227	46.8
263.07556	4.6
281.14529	0.7
337.12152	3.3
355.13089	1.2
381.11185	1.5
399.12006	40.3
400.12256	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
57.03458	6.2
58.00599	1.4
59.01383	16.1
62.07629	1.0
67.01890	5.6
68.99838	8.2
69.03452	4.1
71.01389	42.5
71.26858	1.3
72.99304	1.6
73.02949	2.9
81.03457	1.5
83.01386	4.5
84.02176	1.1
85.02961	50.7
86.00099	1.7
87.00893	14.0
89.02440	3.8
91.03999	3.0
91.05544	45.4
92.05840	1.4
93.03476	2.6
95.01391	8.6
97.02956	1.9
99.00860	1.3
101.02440	5.3
103.00389	2.6
111.00866	6.8
112.01700	2.6
113.02460	57.9
114.02757	1.0
117.03479	16.7
125.02448	3.5
129.01956	4.9
131.03575	1.2
135.04541	66.8
136.04832	3.4
139.00365	5.0
143.03465	1.4
147.14845	1.1
157.01448	1.8
159.04561	3.3
161.04546	1.9
169.01494	1.9
169.05101	1.3
178.00908	1.1
189.04083	1.7
191.03357	1.3
193.03291	4.0
205.07181	18.8
231.05109	2.6
237.02303	4.0
237.09930	1.3
249.06160	7.7
251.11302	6.0
263.07727	48.9
264.08102	2.9
281.08810	100.0
282.09171	6.4
299.99146	1.8
300.99866	2.5
371.94449	1.6
378.40405	1.3
393.09320	1.1
399.12958	40.1
400.13339	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	399.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31809	2.1
55.01869	1.9
57.03445	2.5
58.00584	3.7
59.01387	100.0
69.11904	16.7
69.12334	3.8
71.01390	73.8
72.99303	8.0
73.02967	5.5
80.94450	2.0
83.01415	6.1
85.02968	17.6
88.04058	3.3
89.02457	68.7
92.05067	2.4
95.01410	5.9
99.00901	3.5
101.02454	47.0
111.00856	2.3
113.02456	31.2
119.03516	39.5
119.04917	2.4
121.10253	4.9
125.02456	3.9
131.03522	3.9
137.02406	6.3
142.46629	2.0
143.03476	3.0
149.04605	3.0
161.04515	11.3
175.14912	14.7
179.05602	6.6
219.13870	26.6
237.14977	5.2
262.21609	2.0
399.11722	2.9
399.20123	55.6
400.20432	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	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
57.03439	4.5
58.00593	3.0
59.01386	100.0
63.73633	1.8
68.83696	1.6
70.71442	1.6
71.01391	93.7
71.28931	2.3
72.01739	1.9
72.99293	5.1
73.02953	10.7
73.61395	1.8
83.01389	6.1
85.02958	27.2
87.00893	3.9
89.02454	87.5
95.01405	5.5
99.00912	3.4
101.02455	55.5
113.01733	2.9
113.02471	40.2
116.81171	1.7
119.03517	33.0
125.02438	3.2
143.03506	4.3
149.04509	1.9
159.02951	3.3
161.04564	10.8
179.05641	3.3
422.72614	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	399.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.0
57.01740	0.8
57.03451	4.9
58.00602	3.8
59.01384	57.0
60.01738	0.7
69.03449	1.3
69.19936	3.0
69.20346	2.0
71.01387	100.0
72.01734	1.4
72.99306	4.8
73.02954	20.6
73.42252	0.6
75.00875	1.3
81.03458	0.9
83.01392	9.3
84.02174	1.1
84.51453	0.7
85.02957	34.7
86.00098	2.3
86.03288	0.8
87.00890	6.2
87.04524	1.6
89.02452	42.9
89.36536	0.6
90.02818	1.1
95.01401	6.9
97.02964	1.4
98.21809	1.5
99.00887	8.2
101.02453	58.8
101.06123	0.8
102.02796	0.7
113.02460	36.8
114.02829	1.4
119.03518	17.4
122.62378	0.7
125.02489	2.0
129.01991	1.8
131.03511	1.3
143.03543	4.2
145.56328	0.6
149.04619	1.1
149.13374	4.2
159.02992	5.7
159.06641	10.8
161.04578	28.5
162.04945	0.7
163.77043	0.7
172.33386	0.7
179.05659	2.9
200.98897	0.6
202.58560	0.7
205.03598	1.8
249.09842	2.4
299.82108	0.8
399.23804	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	400.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.2
61.98840	29.6
65.50800	17.3
69.71471	20.5
69.71779	99.8
78.68533	18.3
98.21783	23.2
121.02941	100.0
169.01424	20.2
181.06540	36.4
357.09393	22.0
401.08566	49.1
404.29703	19.7
422.81924	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	42.0
61.98837	29.7
69.23215	100.0
69.78875	12.3
71.01381	15.1
86.72089	12.8
91.97100	11.4
125.02470	12.7
125.99648	12.5
149.02844	12.4
179.10741	19.7
329.23260	19.9
400.14175	13.5
421.01959	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	400.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	53.2
69.88851	100.0
69.89235	50.3
121.02986	46.0
123.00937	25.7
160.15576	24.2
167.03577	61.9
168.20653	26.7
169.01463	30.6
198.99002	28.0
327.21921	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14947	36.1
59.01377	53.3
62.88893	34.4
71.01365	61.3
71.27145	36.3
99.90704	41.8
115.97578	38.7
121.02948	68.6
163.00348	52.7
240.78674	45.3
245.00777	49.1
257.97794	45.5
301.00043	49.9
344.76614	46.2
353.18073	42.0
357.26828	100.0
373.60031	42.4
401.09128	84.2
406.96127	40.2
411.80011	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.2
59.01390	16.8
66.33007	2.0
68.97385	14.8
68.97802	4.3
71.01392	26.3
72.99289	5.4
73.02942	2.5
75.00877	22.2
83.01377	2.6
85.02958	29.2
87.00894	11.5
89.02439	5.0
93.03422	2.3
95.01386	8.1
99.00897	11.6
103.00352	2.3
106.04228	2.3
107.05036	14.6
108.02182	2.0
109.02964	1.8
111.77459	2.2
113.01759	2.6
113.02467	34.6
115.00357	5.1
117.01958	2.7
121.02972	2.9
123.00846	2.2
123.04494	7.1
125.02423	4.0
133.02972	10.3
137.02470	4.3
150.03221	3.8
150.47438	1.9
151.04030	24.9
165.05502	3.9
169.01443	5.0
175.02495	4.4
181.04922	1.9
237.04099	2.7
237.67917	2.0
243.64420	2.0
249.03746	2.4
249.06195	35.4
256.75772	1.8
267.07230	62.2
268.07535	2.7
279.48669	1.8
311.08917	2.1
383.09775	2.3
401.10785	100.0
402.11179	10.2
403.50421	1.9
418.79813	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	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.8
60.48312	3.1
71.01386	11.8
74.02451	3.5
83.33456	3.4
85.02955	4.4
87.00883	53.2
87.85410	3.6
98.22504	10.2
113.02445	7.1
119.05016	5.3
123.00912	6.5
125.02461	8.8
135.04585	4.9
136.03241	3.4
149.02420	4.6
151.04137	3.8
161.02487	12.2
163.02829	5.7
163.03999	30.2
164.04820	18.3
165.05528	6.7
166.02791	7.9
169.01486	4.9
173.02451	3.5
175.04008	6.2
176.04800	10.1
177.01901	5.4
178.06345	21.5
179.03493	13.1
179.07120	31.8
181.05125	7.8
187.04091	4.1
191.03535	24.9
191.07106	6.9
192.04192	4.4
193.05077	8.2
194.05873	7.5
203.03462	7.7
205.05118	9.3
206.05775	8.4
207.06496	5.2
209.08183	10.1
218.05789	4.3
221.04640	6.0
221.08192	5.7
229.01401	7.3
237.07683	5.3
247.02409	8.4
247.06223	5.7
249.07872	5.4
251.09227	6.3
262.04828	12.2
262.84125	3.7
265.07236	65.0
266.07635	4.3
275.02051	12.4
277.07278	32.0
295.04889	5.0
295.08237	94.5
296.08768	5.9
301.00015	10.1
302.00256	3.5
325.09299	6.0
355.10303	15.0
383.09689	8.7
391.53363	7.9
392.03268	3.3
401.10907	100.0
402.11310	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	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
65.52457	0.3
68.99837	0.4
71.01383	1.0
74.36758	0.3
76.41081	0.3
82.03100	0.3
85.02947	1.5
89.02465	0.5
93.03467	45.9
94.03802	1.3
108.13641	0.3
111.00871	0.4
111.04512	0.4
113.02409	0.6
117.14579	0.3
119.12891	0.3
125.02462	5.1
137.02458	100.0
138.02800	3.6
149.02420	0.4
167.03580	0.4
191.03539	0.4
229.16437	0.4
239.05637	1.6
263.07742	4.8
275.02335	0.4
289.07364	0.3
401.10724	2.2
401.22089	0.5
402.11060	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22606	0.3
54.70446	0.4
57.01577	0.3
59.01376	0.7
62.56667	0.3
66.59704	0.3
68.99830	0.4
70.30660	0.9
71.01386	0.9
72.39660	0.3
80.45503	0.3
85.02953	0.6
88.29668	0.3
88.76913	0.3
93.03468	48.1
94.03793	1.5
104.56912	0.3
128.27066	0.3
137.02458	100.0
138.02800	3.8
263.07736	5.2
299.99045	0.6
401.11090	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	401.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87251	5.8
59.01386	43.2
61.98838	30.6
65.77347	6.0
71.01381	46.6
71.25140	7.3
72.99307	15.3
78.95879	7.7
82.65887	5.8
85.02952	19.7
87.00893	39.2
88.98834	34.1
89.02438	30.1
101.02460	16.2
111.00883	64.2
113.02466	13.8
115.00401	52.8
119.03500	9.2
119.04274	6.1
133.01434	100.0
172.56976	5.9
179.05623	18.8
191.01993	61.4
221.75136	7.7
257.18802	6.2
341.10974	47.7
376.08994	6.8
402.62527	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	401.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	55.0
61.98832	18.1
69.19224	100.0
71.01387	58.1
85.83054	13.3
87.00917	20.6
88.98821	40.8
89.02458	47.8
101.02448	28.6
111.00891	24.1
115.00411	22.2
119.03531	19.1
128.04900	10.9
133.01479	48.2
179.03438	12.5
179.05630	25.7
191.02029	35.2
217.49673	13.2
265.07187	30.2
292.21725	11.5
341.10965	69.2
401.11243	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01892	8.5
57.03437	5.5
59.01092	2.7
59.01383	42.4
60.37614	1.4
69.03423	1.5
71.01388	89.0
72.99300	2.8
73.02951	40.3
75.00867	3.8
78.47062	1.5
78.54728	1.6
81.03463	1.8
83.01404	14.4
85.02477	2.8
85.02963	37.3
87.00867	4.6
89.02445	16.0
95.01418	6.7
97.02965	4.6
98.22573	5.4
99.00894	17.5
101.02453	72.3
102.02787	1.6
111.00863	2.3
113.02464	29.7
115.04001	3.8
121.11269	1.4
125.02475	10.6
129.01906	1.4
131.03505	5.7
143.03488	4.4
149.04617	3.2
152.42862	1.4
159.03033	7.0
161.04573	59.6
165.01923	1.6
168.65878	1.5
191.03484	1.7
191.05594	1.5
229.13850	1.4
233.06703	10.4
247.02516	3.7
269.10318	100.0
270.10681	8.7
275.01974	1.7
293.08795	3.7
300.99988	1.6
303.01074	1.9
376.73450	1.7
401.14542	87.8
402.15009	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
58.00615	0.4
58.02959	1.1
59.01383	3.9
67.01889	1.1
70.53155	0.8
71.01389	3.5
72.99306	1.0
73.02940	1.6
78.95902	1.9
79.01890	1.3
81.52487	0.3
83.01383	1.5
85.02969	2.5
86.96658	0.3
87.00851	0.6
89.04174	0.3
95.01397	2.0
96.96989	0.6
97.02959	0.7
99.00916	0.5
101.02453	5.2
107.01402	3.7
110.00102	0.6
111.00905	3.3
113.02455	1.8
114.05586	0.6
119.05017	1.2
123.00895	15.5
124.01656	1.2
125.02461	14.3
126.02805	0.4
127.00391	1.1
136.35083	0.3
136.98811	2.0
139.00389	6.6
140.01187	3.8
141.01978	1.9
151.00389	13.9
153.01971	0.4
163.04001	1.5
165.05591	1.0
168.00644	5.1
169.01437	18.0
170.01744	1.0
196.04904	0.4
211.02538	0.4
211.10872	0.7
241.01164	0.6
313.05621	0.8
401.14526	100.0
402.14856	10.9
402.19797	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	401.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26728	1.3
53.99866	1.2
58.72543	1.1
61.98833	100.0
103.74262	1.1
125.02466	1.4
128.10854	3.4
130.08752	25.0
131.09033	1.2
159.36690	1.1
176.31168	1.2
189.01933	1.4
244.00058	1.6
338.19736	19.9
339.20132	1.4
359.90970	1.2
382.04755	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	402.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02048	23.0
59.01391	29.1
63.76635	25.7
65.17802	22.1
71.26553	26.9
82.63468	23.1
94.10682	21.5
95.36850	21.8
98.22278	26.3
105.03625	20.9
108.43660	23.6
111.08176	72.0
173.08194	67.5
187.32613	25.2
206.56670	22.5
335.00571	26.8
359.28094	70.0
400.36200	23.7
403.17819	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	403.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.03449	14.7
59.01392	5.5
66.01720	1.4
70.30098	3.6
71.01377	6.0
75.00878	2.6
83.01397	5.9
84.02155	2.5
84.91168	1.3
85.02960	100.0
86.03327	2.4
93.10946	1.2
99.00871	1.5
101.02462	2.8
109.02991	1.7
111.00888	11.7
129.01953	29.3
135.04547	29.1
136.01703	3.1
137.02419	2.5
147.03030	8.7
151.04031	4.0
182.97569	1.2
191.02013	19.3
205.03522	16.7
209.03033	3.2
211.06213	2.0
223.04591	28.1
258.75943	1.3
315.36948	1.2
412.40170	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	403.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.0
57.03452	16.6
58.02976	1.7
59.01387	5.7
62.97416	1.0
67.01907	1.5
69.03462	1.5
71.01399	8.9
71.26772	2.2
72.99325	3.3
74.02484	2.4
75.00882	2.7
79.35168	1.1
80.19611	1.2
83.01408	10.7
84.02159	2.4
85.02961	100.0
86.02483	1.3
86.03278	1.3
87.00820	1.1
87.05645	1.9
89.02441	1.7
95.01407	1.3
96.96019	1.4
99.00896	3.3
99.05647	2.9
101.02459	6.8
109.02950	2.6
109.04095	1.2
111.00893	26.1
113.02444	1.4
121.02961	9.8
123.00904	3.5
125.02491	5.4
128.03561	11.3
129.01953	22.7
137.02493	2.5
139.00320	1.6
143.03560	2.2
143.04611	12.3
153.05595	6.2
160.00740	2.7
161.04558	3.1
163.00377	1.5
165.01941	1.3
169.01443	5.6
175.04068	2.0
177.01974	1.2
177.03394	1.2
179.04651	3.0
187.02460	2.1
191.03519	2.2
193.01442	1.2
197.04527	10.8
205.03548	25.0
205.05362	1.5
209.00957	1.3
210.08789	2.4
219.03046	1.4
223.04613	30.2
224.05095	1.2
229.01566	1.6
241.39850	1.2
247.02484	2.4
248.02711	2.0
254.07906	3.6
272.08884	6.9
275.01895	3.4
283.27219	1.1
288.06635	2.5
300.99936	1.8
306.07693	15.5
316.03345	1.7
403.03815	2.5
403.16290	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	403.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84161	0.9
55.01877	2.9
57.03454	15.3
59.01382	5.7
59.63515	0.8
60.93957	0.9
67.51190	0.9
68.99830	1.3
69.57742	5.3
71.01383	4.0
72.99326	1.7
75.00874	1.9
78.02763	1.0
78.95911	1.5
83.01391	4.5
84.02178	1.8
85.02958	100.0
86.03320	1.9
87.00880	1.7
96.96052	2.3
99.00870	1.3
101.02464	2.0
103.00414	1.3
108.02215	2.7
109.02937	1.1
111.00890	6.3
125.02485	1.4
128.45811	0.9
129.01952	23.5
129.02852	1.7
135.04539	26.6
136.01709	2.9
136.04893	1.3
137.02435	2.3
147.03024	12.2
151.04012	2.5
152.01154	1.6
153.01949	1.2
153.05643	1.2
156.90976	1.0
173.00958	1.9
191.01993	26.5
195.28465	1.0
205.03561	9.3
209.03056	3.0
210.99182	1.7
211.06079	1.8
223.04608	21.1
223.06747	1.4
250.59427	1.0
273.00339	0.9
375.88675	1.0
398.99905	1.2
402.97452	4.4
403.08853	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	403.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54035	0.7
51.87459	0.7
52.52988	0.7
55.01867	1.7
57.03450	12.2
59.01391	7.4
62.39985	0.7
64.24741	0.8
66.96744	0.7
68.99809	1.2
69.55189	3.1
69.55599	1.2
71.01396	4.3
72.99291	1.3
75.00903	1.8
80.10651	0.8
83.01410	1.6
83.57134	0.8
84.02186	2.8
85.02956	100.0
86.03304	2.6
87.00902	1.5
89.02460	1.0
96.17377	0.7
98.22454	0.8
103.00387	1.2
109.02930	0.8
111.00909	1.8
115.00387	1.0
129.01936	7.1
133.01431	0.9
134.03751	1.6
135.04535	44.0
136.01691	2.8
136.04855	1.8
143.03584	1.2
147.03004	12.5
151.04037	3.6
153.01331	1.4
169.30621	0.8
173.00937	1.6
191.01994	32.5
194.80217	0.7
209.03020	4.2
211.06128	1.2
223.04593	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	403.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24352	0.9
53.05288	0.8
55.01877	3.7
57.03453	16.1
59.01379	7.0
62.99097	1.3
67.17624	0.8
69.65089	5.1
71.01385	5.8
73.02979	1.0
75.00875	2.4
83.01408	4.6
84.02156	2.0
85.02959	100.0
85.41317	0.9
86.03300	2.0
101.02433	3.3
103.00355	1.8
111.00890	14.5
125.02443	1.2
129.01962	31.1
133.35416	1.0
135.04538	22.5
136.01634	3.0
137.02422	2.3
147.03000	8.3
151.03995	3.2
158.92558	1.1
159.71312	1.0
161.04536	2.4
179.03474	1.4
184.54401	0.9
191.02000	14.5
191.34811	0.9
205.03554	16.6
209.03113	2.7
211.06154	1.8
219.66441	0.9
223.04601	32.0
223.06767	1.8
228.96283	1.0
302.52362	1.1
403.08820	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03424	0.8
59.01386	13.4
67.01866	1.3
69.03442	1.0
70.99873	1.1
71.01383	7.7
72.13936	0.6
72.99304	1.4
73.02934	2.0
78.95902	3.3
79.01905	0.9
83.01366	2.1
85.02955	4.9
87.00877	0.9
89.02435	2.3
95.01367	2.5
97.02934	0.9
99.00883	1.2
101.02473	5.6
107.01400	5.4
110.00127	0.6
111.00912	3.7
113.02474	3.0
118.14492	0.6
119.03526	0.8
123.00029	1.3
123.00897	20.2
123.08157	0.6
125.02457	17.8
126.02762	0.6
127.00368	1.1
133.58662	0.5
134.03716	0.6
134.04671	0.7
136.98781	2.4
137.02423	0.9
139.00389	8.4
139.55417	0.6
139.76958	0.7
140.01228	4.4
141.01920	2.6
151.00377	13.7
153.01874	0.7
161.04594	1.1
163.04037	0.7
168.00623	4.9
169.01443	23.1
170.01717	1.5
193.04942	0.8
211.02486	1.0
212.32678	0.6
223.09679	0.7
253.03514	0.7
275.01620	0.6
313.05695	1.2
373.20810	0.9
403.12320	100.0
404.12686	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	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.4
59.01384	22.3
60.01700	0.7
61.98830	1.2
67.01878	0.8
67.84493	0.7
71.01385	16.0
72.99319	1.3
78.95913	3.6
83.01374	3.5
85.02974	3.7
89.02452	19.5
95.01410	5.0
96.96031	0.7
98.70107	0.6
101.02459	10.3
107.01347	0.8
108.02157	1.2
109.02950	1.3
111.00886	3.2
112.98836	0.8
113.02461	4.3
119.03511	6.6
121.02940	2.0
123.00896	15.8
125.02438	3.7
127.00388	2.2
134.04745	1.0
136.98837	2.7
137.02444	4.8
138.03273	7.6
139.00383	11.4
140.00752	1.1
144.04559	1.2
151.00365	1.3
152.01170	2.6
152.04800	1.6
153.01958	0.8
153.05579	3.0
154.02693	1.1
165.01942	10.4
167.03513	3.2
169.01401	5.4
179.03510	2.8
180.04272	4.9
193.01425	24.4
194.01741	1.0
195.06659	1.6
200.41536	0.7
207.03026	2.8
208.03778	41.7
209.04150	3.1
211.02444	0.9
223.06133	100.0
224.06438	6.6
251.07751	7.2
271.04550	1.5
359.05487	1.2
373.62708	0.8
403.08191	9.4
403.12674	3.3
403.16959	1.0
404.08914	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	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.2
60.94870	1.1
71.26870	1.6
78.95925	9.1
101.10741	1.3
108.02184	2.1
109.02956	6.2
121.02955	11.0
123.00918	3.4
123.04546	2.9
123.09170	1.2
124.01656	3.3
134.03789	2.0
134.04739	1.6
135.04515	5.0
136.01665	2.0
136.05339	8.1
137.02463	5.9
138.03217	1.6
139.04027	3.6
140.36908	1.3
145.02951	3.0
147.04538	17.5
148.05260	3.8
149.02414	2.9
150.03268	6.9
151.04021	15.5
158.03729	1.9
159.04567	8.0
160.05305	10.1
161.02403	3.0
161.06056	8.1
162.03235	21.2
162.06772	1.6
163.04030	41.8
164.04710	5.5
168.04248	3.9
173.06119	1.4
175.03973	3.2
175.07677	13.1
176.04808	6.6
177.05582	13.5
178.06329	5.4
179.03503	6.0
180.04292	2.3
184.03725	1.6
189.05656	1.5
191.07231	1.9
193.05135	3.0
194.05811	2.1
195.03059	3.6
195.06491	1.5
209.08208	4.0
268.07449	1.5
281.08154	1.7
283.06186	4.1
284.06924	5.5
298.08514	3.0
299.09274	17.2
313.10797	6.7
314.11615	19.7
315.11618	1.9
327.12482	2.6
329.10352	1.8
329.13895	7.7
343.11847	1.6
359.15030	100.0
360.15344	9.6
403.13873	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26595	2.4
57.03454	8.0
59.01384	100.0
71.01392	13.9
71.26820	3.2
71.27248	2.9
73.02939	14.2
83.01395	10.7
85.02972	8.2
89.02477	4.0
99.04565	3.2
101.02436	6.5
113.02464	11.7
114.34319	2.5
119.08704	3.7
137.02437	5.1
137.09763	7.2
161.09789	6.5
163.07591	2.9
163.65860	2.4
163.68658	2.4
169.01526	4.1
179.10768	7.5
181.08736	37.4
193.69588	2.4
197.11850	80.4
198.12283	4.9
223.09729	9.2
241.10840	93.4
242.11189	5.3
256.75024	2.5
283.11795	8.9
343.14154	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1613
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.40868	1.0
57.03448	5.1
58.00607	1.1
59.01384	91.0
63.16757	0.9
68.40274	1.0
70.96829	1.1
70.97152	1.4
71.01392	9.7
71.37748	1.0
72.91459	0.9
73.02946	3.8
83.01398	1.9
83.05007	1.2
85.02974	2.9
87.00861	1.9
89.02462	8.5
99.04537	2.1
101.02451	6.4
113.02463	5.0
113.72579	1.2
119.03501	2.8
119.08672	2.8
120.75913	0.9
125.02417	1.5
128.03535	2.5
133.10243	1.3
135.08156	2.2
137.09758	5.5
143.04626	3.4
146.07411	1.0
153.82706	0.9
154.09662	1.2
160.00742	1.1
161.09763	5.3
163.07590	1.8
179.10782	3.9
181.05084	1.8
181.08730	16.0
197.11847	68.6
198.12221	3.9
205.08723	1.4
223.09727	6.0
241.10832	100.0
242.11197	7.6
272.08887	2.1
282.76660	1.0
283.11865	3.1
306.07687	5.0
334.30496	1.1
371.91968	1.2
403.15918	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	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.94300	0.7
57.03447	3.2
58.00594	0.9
59.01383	82.5
61.08812	0.9
68.50626	0.7
71.01391	9.2
73.02940	1.2
83.01398	1.4
83.05035	0.8
85.02946	2.3
87.00865	1.8
89.02457	8.0
95.01438	1.0
99.04526	2.3
101.02445	4.9
113.02448	3.7
119.03514	2.0
119.08655	1.7
128.80959	1.0
133.10242	1.6
135.08157	2.4
135.11832	0.9
137.09723	5.8
144.82875	0.9
161.09734	4.4
163.07671	1.2
179.10796	5.0
181.08711	11.5
191.91866	0.7
197.11842	61.3
198.12189	2.6
223.09796	5.8
241.10832	100.0
242.11156	7.3
283.11993	1.4
348.64337	0.9
403.16281	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	403.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	20.5
68.68613	7.3
69.46587	7.3
70.79069	10.9
70.79424	13.6
73.19998	7.0
81.26422	7.1
99.08189	7.8
111.00911	15.2
117.03468	29.2
139.00421	8.9
148.01675	13.5
154.81587	7.2
161.02470	100.0
162.02992	11.6
165.09265	6.9
166.71202	7.4
170.73434	7.4
189.01955	19.5
203.10783	12.2
219.10286	18.4
223.09735	20.7
247.09697	13.9
260.10574	24.3
287.20071	9.4
291.08755	32.6
315.19720	17.2
331.19180	31.5
359.18713	46.6
404.06189	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	404.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98512	2.1
59.01381	15.0
61.98833	100.0
66.03490	7.1
71.01389	6.4
71.28265	2.8
72.99302	5.3
78.95911	22.7
85.02959	6.3
86.02148	2.1
89.02447	7.4
98.75478	2.0
101.02479	4.1
101.80330	2.1
109.02926	3.1
110.02493	10.5
111.00886	18.8
117.34424	2.3
119.88367	2.3
125.02456	5.0
129.05515	2.1
134.04764	4.5
135.04526	11.4
137.02478	2.3
140.62927	2.4
149.02515	2.4
153.10347	2.3
158.07008	2.5
158.92644	2.8
161.02414	2.8
167.10791	3.4
169.01401	5.9
175.03993	3.7
179.03531	22.7
179.04991	3.2
203.03537	2.6
215.07149	2.4
227.03549	8.6
245.04622	7.1
255.02805	4.9
272.04990	2.6
275.01917	2.8
299.02014	26.1
300.99930	3.9
301.07297	2.5
315.32574	2.4
317.03058	5.8
319.70508	2.4
343.00955	7.3
404.08698	5.4
405.08542	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	404.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
66.76778	0.3
70.30772	0.7
70.31141	0.6
81.23707	0.3
94.71933	0.3
98.21875	0.4
103.78371	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	404.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57743	0.7
60.62298	0.6
61.98837	100.0
69.30817	0.6
69.31133	4.7
75.39813	0.7
87.00928	0.7
88.98833	0.6
111.00925	1.2
121.46954	0.7
124.73013	0.7
132.51102	0.7
191.02115	0.7
200.87520	0.7
202.63492	0.6
217.46706	0.7
297.90686	0.7
298.26071	0.8
320.84076	0.6
324.32312	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	404.15
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	10.9
69.11695	10.4
74.02477	25.0
81.04559	1.6
82.02991	1.7
84.04553	2.2
86.02489	6.2
86.99126	1.7
87.05655	7.4
90.00214	3.5
91.14082	1.4
97.04080	3.6
98.06091	1.7
98.21833	3.5
99.05652	18.7
101.07215	3.0
101.93902	1.4
102.05637	1.9
112.04123	3.4
113.03621	2.5
121.08843	1.4
125.03578	2.5
127.05148	4.7
128.03557	60.9
135.05684	6.7
141.06700	5.4
143.04639	85.0
144.04987	1.7
145.06218	5.3
146.04604	10.1
153.06723	4.2
160.00763	20.4
166.09816	2.3
167.04645	5.2
167.08192	2.4
177.03406	9.1
179.04640	17.3
181.06218	2.1
181.43333	1.5
185.05681	2.9
192.07770	1.8
197.05646	2.8
198.08704	1.7
210.08829	14.9
228.09669	2.2
242.07800	2.5
254.07838	32.4
272.08942	37.1
273.09274	2.8
288.06610	11.5
306.07678	100.0
307.08041	6.2
414.67673	1.5
417.08057	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	405.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02299	1.9
60.99916	2.1
81.24311	2.5
90.95543	1.9
98.21825	8.5
116.78255	2.2
143.05061	4.3
155.05003	4.0
158.03712	3.1
159.04593	3.5
161.06192	2.7
171.04533	3.8
173.06105	7.0
175.04031	8.0
177.01939	5.6
189.01973	2.5
189.05553	2.9
191.03502	4.2
197.02460	2.4
199.04010	6.9
200.04738	2.8
201.05569	6.5
203.03485	5.3
205.01364	2.7
213.01822	2.4
217.05116	4.2
219.03049	2.6
226.02724	4.2
227.03438	16.7
229.13649	3.3
230.02206	2.6
231.03093	3.5
233.00938	9.7
243.02986	6.8
245.04485	15.9
247.02420	11.7
254.02298	4.9
255.02986	14.7
257.00888	4.8
271.02417	11.0
273.04227	5.7
275.01987	7.7
289.03674	9.4
299.02002	100.0
300.02347	7.3
301.00061	3.4
317.03088	14.7
343.00934	24.8
361.01996	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	405.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40278	5.4
60.99308	8.4
68.97215	46.6
68.97628	15.4
88.98808	100.0
109.48589	5.5
118.86568	6.5
139.91133	5.5
259.41049	6.8
288.52991	6.5
313.00934	5.8
332.92593	12.1
360.91910	32.0
389.92447	26.5
390.92380	6.5
404.94626	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
56.59883	0.6
58.00596	0.6
59.01139	0.7
59.01386	8.9
61.98811	1.6
62.72154	0.6
66.12334	0.6
67.01889	0.7
69.33020	3.6
69.84128	0.5
71.01385	8.4
72.99294	0.9
73.02956	1.0
76.60956	0.5
79.01894	1.3
81.39254	0.6
83.01389	1.2
85.02946	2.3
87.00887	1.2
89.02454	5.8
95.01381	2.7
96.95991	1.0
97.02965	1.1
99.00890	1.0
101.02436	9.3
107.01390	4.6
108.02209	0.6
109.02990	0.9
111.00889	1.6
113.02451	3.7
114.01928	0.7
119.03508	1.5
122.99996	1.3
123.00897	19.6
124.01743	0.8
125.02463	17.8
126.11304	0.6
126.98695	0.6
127.00411	0.9
127.35966	0.6
136.98810	0.7
139.00391	6.3
140.01143	2.1
141.01941	2.5
150.99176	1.3
151.00378	18.1
151.04056	0.8
153.01912	1.7
154.65462	0.7
161.04523	1.2
167.03502	1.0
168.00639	2.1
168.99997	1.0
169.01442	19.2
170.01727	1.1
179.03604	0.7
205.58746	0.6
211.02524	0.9
225.03931	0.7
253.03549	1.8
253.09218	1.0
271.04636	0.8
306.05511	0.6
313.05652	7.3
405.10406	100.0
406.10770	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	405.1071
Annotation	Braxoron
Peak:m/z	Relative Intensity
70.02981	2.5
72.62768	0.6
82.02989	4.5
83.01398	3.1
91.05553	2.4
92.05071	16.4
96.00917	1.6
97.01701	1.3
98.02486	22.0
98.21943	2.9
99.89732	0.8
102.31764	0.6
102.94240	0.6
105.02213	0.7
107.03799	1.4
110.02496	2.5
111.03278	4.9
116.05042	0.9
117.03479	3.4
118.03033	0.8
118.03779	0.6
118.06651	3.5
126.61158	0.6
129.00671	1.1
130.06631	9.5
131.05048	1.3
132.04564	1.1
135.03212	3.0
136.04080	7.3
141.00859	0.7
146.06140	5.4
147.04526	1.7
148.07716	2.2
157.06602	1.1
158.02116	0.7
158.06105	1.0
158.09715	1.1
159.08179	0.8
162.01970	2.0
164.07228	2.4
171.05640	1.0
173.07303	3.8
174.05618	18.1
175.05867	1.3
176.03354	13.4
176.07176	2.2
184.07718	3.7
190.01198	3.4
190.05115	2.1
198.01749	4.7
198.05399	3.6
200.07214	6.5
201.07970	0.7
202.08746	11.4
212.03331	0.8
213.06496	2.6
214.04797	1.0
218.04620	6.4
220.02303	6.5
224.06885	3.5
225.06525	1.2
229.19080	0.7
240.06363	1.2
242.04344	2.2
242.08044	1.6
246.07693	0.9
257.10663	0.7
268.05936	10.1
269.05533	3.4
286.06961	5.3
302.05209	1.4
312.04871	3.5
323.45807	0.6
330.06027	5.6
331.06311	0.9
343.10666	2.7
361.11746	8.0
362.11996	1.1
387.09451	3.1
405.10706	100.0
406.11026	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	405.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44767	0.8
57.61884	0.8
59.01375	3.6
67.01891	0.9
69.03461	54.7
69.33332	3.1
69.33744	2.0
70.03788	1.0
71.01360	2.2
79.01895	29.6
80.02221	0.8
81.03458	3.1
85.02962	3.7
89.02407	1.0
90.39117	0.7
93.03472	0.9
95.01392	9.2
97.02959	35.0
101.02456	1.8
107.01400	59.0
107.05058	1.0
108.02232	9.3
109.02977	7.4
113.02452	1.8
119.05041	0.9
121.02962	6.0
122.03728	1.0
123.00909	15.4
125.02461	56.1
126.02789	2.4
133.02951	3.3
134.03781	0.9
135.00914	2.6
135.04533	2.6
136.01663	7.6
137.02483	4.9
145.02959	2.2
149.02470	4.4
151.00385	72.5
152.01125	5.1
153.01958	16.0
161.02391	2.3
163.04018	10.4
165.02025	0.8
168.00398	0.8
169.01422	2.8
175.03963	1.6
177.01939	11.2
178.02231	0.9
179.03543	1.2
189.02005	1.8
191.03499	2.3
195.02960	0.8
197.06102	4.6
198.06693	1.4
201.01807	1.3
207.03000	1.7
217.01434	0.9
224.33693	0.7
225.05521	0.8
229.01512	2.1
242.05870	100.0
243.06587	51.1
243.16061	0.8
244.06970	3.4
246.01472	0.8
285.07755	4.5
297.06140	15.7
298.06470	1.7
304.66721	0.8
323.75070	0.7
341.90634	0.8
405.11951	13.8
405.21024	8.0
406.12277	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	405.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68224	0.3
57.70218	0.2
59.01371	0.4
65.00332	0.9
65.03968	2.9
67.01891	1.5
68.96883	0.7
68.97282	1.9
68.99822	0.6
71.01389	0.6
80.02671	0.6
86.21534	0.2
91.01903	42.1
92.02236	1.5
98.22024	1.3
98.22672	0.6
107.05057	2.1
108.02197	3.0
109.02964	28.0
110.03300	0.8
113.02280	0.2
119.05049	0.3
121.02963	1.6
123.00887	0.9
123.04509	0.4
131.05124	0.3
133.02957	1.2
135.00900	100.0
136.01180	3.1
137.02460	4.0
137.33585	0.3
138.03059	0.3
145.02934	0.5
149.02518	1.5
151.03987	0.5
151.71022	0.2
153.01953	81.6
154.02290	3.2
161.02461	0.9
163.04016	0.3
169.01511	0.3
173.02470	0.4
175.03995	3.3
177.01917	2.8
182.25012	0.3
189.01915	0.6
191.03549	0.5
197.06075	1.2
217.01395	0.3
225.05542	0.9
243.06630	12.1
243.53389	0.3
244.06923	1.2
267.06659	0.6
297.06177	13.7
298.06644	1.4
322.80545	0.3
405.11923	9.3
405.20639	0.5
406.12274	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	405.1195
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02371	0.7
55.01883	0.8
69.03464	60.7
69.21003	3.6
70.03796	1.0
71.01382	0.8
75.07383	0.3
79.01900	30.0
80.02240	0.9
81.03457	2.5
83.01392	0.5
85.02970	2.1
95.01401	8.4
97.02959	33.7
98.03279	1.0
101.02454	0.7
107.01402	68.9
108.02265	5.4
109.02982	4.6
113.02460	1.0
121.02960	3.0
123.00007	0.9
123.00899	15.1
123.04544	0.5
124.01225	0.4
125.02462	57.8
126.02801	2.0
133.02968	2.0
135.00903	19.7
135.01952	0.9
135.04552	1.1
136.01709	4.9
137.02527	2.6
145.02948	0.8
146.52795	0.4
149.02443	2.1
150.03241	0.7
151.00386	75.2
152.01176	7.5
153.01962	23.4
154.02295	0.8
161.02443	0.9
163.04013	6.5
164.04362	0.4
169.06586	0.4
175.03949	0.6
177.01955	8.2
189.02020	0.9
191.03494	0.5
197.06094	1.4
198.06787	0.9
207.02924	1.0
209.73717	0.5
219.02979	0.5
225.05571	1.4
242.05873	100.0
243.06548	29.2
244.06953	1.8
285.07721	4.2
297.06070	6.1
405.11929	37.6
406.12158	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	405.1194
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
50.76569	0.5
59.01384	0.6
63.34400	0.6
70.59428	1.5
93.03467	30.7
94.03771	1.0
118.17762	0.6
121.02970	2.0
125.02403	1.2
129.01141	0.6
137.02463	100.0
138.02817	4.4
158.98592	0.5
168.00667	0.7
169.01357	0.6
178.48767	0.5
181.06606	0.8
184.63173	0.6
199.07680	15.3
200.08061	1.6
243.06636	30.4
244.06943	3.3
272.26382	0.6
405.10654	0.7
405.19330	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	405.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
62.80905	10.4
66.64760	12.0
69.09151	65.1
69.09582	47.2
74.64223	12.9
93.04037	14.3
98.21800	24.6
125.02480	42.0
131.27739	11.4
137.02507	14.4
161.02428	29.4
169.01424	44.4
179.37978	12.4
183.10306	18.1
185.25208	11.6
189.02013	13.6
193.04993	13.5
201.01959	25.4
217.01534	14.1
229.01431	18.8
243.03004	27.4
243.12370	22.3
245.01137	13.3
261.00467	15.7
273.00391	15.2
285.13385	13.9
300.99829	12.2
329.06024	14.6
352.28345	13.4
361.02094	20.2
387.03967	13.7
405.05923	20.1
405.16245	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	405.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
62.80905	10.4
66.64760	12.0
69.09151	65.1
69.09582	47.2
74.64223	12.9
93.04037	14.3
98.21800	24.6
125.02480	42.0
131.27739	11.4
137.02507	14.4
161.02428	29.4
169.01424	44.4
179.37978	12.4
183.10306	18.1
185.25208	11.6
189.02013	13.6
193.04993	13.5
201.01959	25.4
217.01534	14.1
229.01431	18.8
243.03004	27.4
243.12370	22.3
245.01137	13.3
261.00467	15.7
273.00391	15.2
285.13385	13.9
300.99829	12.2
329.06024	14.6
352.28345	13.4
361.02094	20.2
387.03967	13.7
405.05923	20.1
405.16245	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01088	2.1
59.01381	37.5
71.01382	1.8
71.47790	0.8
73.02952	1.5
95.01381	1.2
99.00901	1.2
100.95673	0.9
101.02451	2.9
113.02468	1.9
117.03455	0.9
125.02452	1.2
137.02473	1.1
139.11305	21.3
140.11639	1.4
145.02963	1.7
153.05922	0.9
161.02435	2.5
163.00439	1.1
163.04048	1.6
163.11237	1.3
169.12390	0.9
181.12346	11.7
183.10255	26.4
184.10545	1.8
189.02019	1.0
190.02687	1.1
199.13437	3.4
200.01215	0.9
201.01965	1.8
203.03537	1.9
204.27960	0.8
207.80794	0.8
217.01381	1.8
219.02988	1.2
225.11333	11.3
226.99834	0.9
229.01408	3.2
229.17703	0.9
243.03052	1.8
243.12370	100.0
244.12680	7.0
245.00851	1.8
247.02563	1.7
257.13846	1.1
261.00375	1.1
270.98715	1.1
273.00580	1.8
275.02048	1.3
285.13461	19.2
286.13644	1.8
300.99945	2.5
315.14603	3.0
345.15610	16.9
346.15656	1.9
405.17514	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01386	100.0
60.01706	1.0
63.51735	0.8
67.41343	0.8
69.03481	4.7
71.01382	2.8
71.04982	1.4
74.01327	0.9
80.06644	1.1
89.02448	1.5
92.87310	0.9
98.22606	2.2
101.02447	2.1
113.02444	3.7
119.03506	2.0
133.85063	0.8
139.11281	7.9
177.50945	1.1
183.10280	55.6
184.10666	2.7
225.11278	1.2
229.19341	1.2
251.33266	1.0
273.00635	1.0
275.01907	1.0
357.80142	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01380	3.6
73.02917	1.8
73.07648	1.4
79.30344	1.7
85.42826	1.5
85.75107	1.4
89.02441	2.9
99.00880	1.9
100.46926	1.5
101.02474	2.8
105.39755	1.5
113.02444	2.4
118.38019	1.4
119.03497	1.4
153.09230	9.3
183.10281	83.7
184.10582	5.9
194.76138	1.7
197.11827	2.0
228.74174	2.1
229.01381	1.8
312.01920	1.5
364.50504	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82199	0.6
57.03444	1.0
59.01384	18.5
69.87718	3.1
71.01383	0.8
73.02941	0.7
75.15666	0.7
98.21848	0.8
101.02445	0.9
106.17214	0.7
113.02460	1.4
120.65016	0.7
122.24931	0.7
138.00661	0.7
139.11308	18.7
140.11656	0.8
163.11278	1.1
165.09204	1.0
181.12360	9.3
183.10300	24.0
184.10548	1.1
190.99846	1.0
199.13452	3.0
225.11346	7.8
243.12386	100.0
244.12695	6.7
249.11346	1.2
276.32846	0.8
285.13541	4.1
405.17609	3.7
415.49606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1921
Annotation	Picrasin E
Peak:m/z	Relative Intensity
53.65452	1.2
59.57105	1.3
63.50722	1.5
67.01888	1.5
70.96072	2.9
72.99329	1.6
106.00637	1.7
107.01390	2.3
110.00121	1.7
111.00919	9.9
123.00903	8.9
124.01644	3.4
125.02464	24.1
127.00385	4.7
136.98825	6.9
139.00383	13.6
140.01166	19.1
141.01910	1.8
151.00385	5.9
168.00658	10.0
169.01427	22.4
181.01392	2.6
191.10866	1.5
225.63611	1.5
253.18077	3.5
334.80219	1.3
361.20193	56.0
362.20477	5.2
387.18161	34.8
388.18442	2.9
405.19223	100.0
406.19485	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	405.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01674	2.4
61.98830	6.5
68.97363	10.9
68.97785	10.2
71.01384	39.1
72.99284	2.4
73.02949	9.5
83.01393	3.6
85.02954	12.4
87.00888	2.3
89.02454	20.2
99.00896	3.9
101.02459	24.8
101.06128	2.3
106.24527	2.2
107.01391	3.6
113.02451	16.9
119.03543	9.4
119.05048	3.6
125.02466	8.0
125.06062	2.7
143.03477	3.5
159.03015	3.8
161.02509	2.6
161.04581	25.7
169.01465	10.6
179.05592	3.5
193.15514	1.8
235.03101	2.3
243.03020	3.0
261.00876	4.1
271.45419	2.2
345.19205	26.6
361.09738	3.0
405.19492	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	407.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22898	1.6
57.58874	1.6
65.00359	1.8
68.25165	1.9
70.59225	4.0
78.95905	8.7
83.01360	2.3
92.99825	11.0
93.03464	68.1
94.03782	3.8
103.38895	1.7
109.02970	2.6
115.05525	2.1
117.03494	11.2
119.05016	7.6
121.02966	2.0
123.04549	3.5
125.02447	52.0
126.02764	3.5
137.02469	5.4
143.05034	72.1
144.05370	5.5
145.02957	27.5
151.00356	2.7
177.05513	5.1
181.16516	1.9
185.06097	8.0
187.03993	8.5
193.06563	2.5
195.04652	2.5
209.06073	14.8
210.06810	5.0
214.03766	1.9
237.05588	35.3
238.05751	2.5
244.06427	1.9
247.07660	3.2
269.08206	11.0
281.04504	14.9
289.08643	6.4
309.94580	2.0
313.07187	100.0
314.07565	11.6
333.07544	2.1
398.78018	1.7
407.11768	4.9
408.11862	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	407.1352
Annotation	Ginkgolide A
Peak:m/z	Relative Intensity
59.01384	0.7
67.01888	1.6
68.96637	5.5
71.01373	0.7
79.01885	1.4
95.01408	4.1
97.02946	0.7
107.01384	1.0
110.00166	0.5
111.00919	2.3
123.00898	24.3
124.01743	1.1
125.02460	12.5
127.00379	1.2
136.98788	2.0
137.02425	0.7
139.00377	8.4
139.03984	1.0
140.01221	2.6
141.01967	2.4
150.03174	1.3
151.00378	1.2
153.01909	0.6
165.05573	1.0
166.99873	11.7
168.00670	5.5
169.01434	20.1
170.01817	0.8
181.01456	1.2
182.02194	1.1
183.03024	2.4
183.04430	0.5
194.99348	1.8
241.05055	0.6
242.05803	1.0
243.20728	0.5
250.10353	0.6
289.07120	1.7
302.08084	0.9
303.08752	1.2
314.07977	2.1
317.06653	7.4
318.03760	0.9
318.07352	7.0
319.08069	0.8
331.08267	4.0
332.09015	27.4
333.09732	11.6
334.10254	1.2
345.23126	0.6
375.10886	0.6
407.13495	100.0
407.25891	4.2
408.13855	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	407.1715
Annotation	CHEBI:70176
Peak:m/z	Relative Intensity
52.63822	1.1
54.08419	1.1
59.01096	1.4
59.01385	23.2
60.67864	1.4
62.06250	1.2
65.08424	1.2
69.19442	2.6
69.19852	8.4
71.01388	12.0
78.95900	1.8
79.05527	1.8
81.03472	7.4
83.01408	1.4
83.04997	1.7
85.02961	4.8
89.02437	7.6
93.03464	2.9
95.05080	1.6
99.00899	2.2
101.02486	7.3
101.03029	1.4
107.01376	3.7
113.02471	6.8
115.05511	2.3
116.19156	1.3
117.03378	1.3
119.03528	2.0
119.05027	5.8
119.08698	8.1
121.02969	7.3
121.06593	4.1
123.04527	7.5
124.35070	1.2
125.02462	2.4
133.03035	1.5
133.06560	1.8
135.04526	2.5
137.09735	15.0
143.05002	3.1
143.08693	2.0
145.02936	3.8
145.06615	3.4
147.04527	3.1
149.02464	38.5
157.06625	1.8
157.10226	2.3
159.04515	2.9
159.11781	2.9
160.08997	1.6
161.06079	2.2
161.09778	12.6
163.07664	54.1
164.07993	3.4
167.87401	1.1
169.01445	1.9
169.06583	2.0
171.04501	4.0
173.09726	1.4
175.04005	5.7
177.09198	1.3
183.08109	2.6
184.08958	7.8
185.09712	9.7
186.06772	1.2
187.07683	2.1
189.05530	5.9
197.06070	12.2
199.04039	3.1
199.11337	4.3
201.12859	19.7
202.13193	1.4
211.07660	23.5
211.13393	1.6
212.08156	3.7
213.12805	2.1
215.14401	1.7
217.05267	1.6
218.64844	1.2
225.05704	1.6
226.09845	2.2
227.10791	100.0
228.11176	10.5
241.12344	6.4
243.03021	4.8
243.13893	14.2
245.11847	74.9
246.12132	5.7
246.14326	1.3
253.08823	3.2
255.13979	1.9
259.13342	4.7
259.62546	1.3
261.04031	1.4
269.11844	34.3
270.12213	2.8
287.12921	36.3
288.13416	2.8
319.09601	3.0
321.07755	3.1
363.08389	1.8
407.07507	2.9
407.17203	2.2
407.26526	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	407.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	45.8
63.40157	13.5
69.20235	100.0
71.01383	35.6
72.97688	14.7
73.02955	13.7
83.33356	11.9
85.02946	23.4
90.28806	10.6
95.01418	12.8
98.22005	43.4
98.22591	16.0
99.00890	46.2
101.02431	28.4
109.02960	16.7
113.02474	13.7
113.96644	10.8
119.01328	12.3
123.00874	14.4
123.04375	12.2
123.54133	12.7
125.02446	38.1
129.02031	14.6
137.02431	31.9
145.02934	20.8
161.02399	32.6
163.00383	45.5
163.04007	23.9
165.01938	40.5
169.01459	36.0
175.04036	16.5
177.01921	19.4
189.01932	13.6
190.99890	15.6
191.03491	45.9
201.01891	12.3
203.03372	14.2
209.00938	42.8
217.01404	13.5
219.02931	27.7
231.02705	16.6
237.00400	19.3
245.00729	15.6
247.02568	64.9
249.03960	15.5
261.00406	12.6
273.00543	16.4
275.02045	18.0
297.03595	12.6
300.99808	30.7
364.03854	15.2
407.18842	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	407.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	45.8
63.40157	13.5
69.20235	100.0
71.01383	35.6
72.97688	14.7
73.02955	13.7
83.33356	11.9
85.02946	23.4
90.28806	10.6
95.01418	12.8
98.22005	43.4
98.22591	16.0
99.00890	46.2
101.02431	28.4
109.02960	16.7
113.02474	13.7
113.96644	10.8
119.01328	12.3
123.00874	14.4
123.04375	12.2
123.54133	12.7
125.02446	38.1
129.02031	14.6
137.02431	31.9
145.02934	20.8
161.02399	32.6
163.00383	45.5
163.04007	23.9
165.01938	40.5
169.01459	36.0
175.04036	16.5
177.01921	19.4
189.01932	13.6
190.99890	15.6
191.03491	45.9
201.01891	12.3
203.03372	14.2
209.00938	42.8
217.01404	13.5
219.02931	27.7
231.02705	16.6
237.00400	19.3
245.00729	15.6
247.02568	64.9
249.03960	15.5
261.00406	12.6
273.00543	16.4
275.02045	18.0
297.03595	12.6
300.99808	30.7
364.03854	15.2
407.18842	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	409.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.3
61.19488	1.4
61.36505	1.6
61.98824	1.8
63.36602	1.4
67.01933	1.7
71.27085	2.1
82.96623	1.8
83.01398	2.8
93.03459	1.8
105.03470	3.8
109.02962	5.1
110.23920	1.4
117.03477	1.5
125.02467	10.3
135.04539	37.0
137.02467	12.2
143.05089	8.6
149.02429	8.8
155.05072	8.7
159.04520	5.3
161.02461	2.6
163.04030	11.7
167.03545	1.9
171.04541	6.7
175.04065	2.8
182.03745	2.3
183.04524	6.3
187.04054	2.4
193.01463	4.5
198.03255	11.8
199.04022	72.3
200.04361	4.7
211.04015	6.7
212.04796	1.5
215.03552	3.9
226.02261	1.6
227.03525	100.0
228.03902	8.7
229.05110	4.3
243.03011	29.4
255.03065	1.9
267.06549	7.3
271.02368	7.4
281.04791	1.8
285.07794	15.2
319.06052	1.9
337.07300	2.4
347.05646	2.0
349.03720	2.0
365.07034	3.0
409.01987	14.0
410.02484	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	409.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96339	0.8
55.14114	0.9
59.01379	1.6
71.26962	1.0
80.77063	0.8
93.03459	3.5
96.96062	4.9
109.02955	3.5
111.00905	4.1
117.03471	1.7
119.05036	29.1
121.02930	0.9
125.02460	1.4
130.04218	1.6
131.05067	6.5
133.02995	9.4
133.06609	1.5
134.03799	2.6
135.04546	100.0
136.04872	4.2
137.02473	1.3
141.03496	2.3
143.05025	7.9
145.02942	4.4
145.06604	1.2
156.05843	1.2
157.06618	1.7
158.03752	3.2
159.04532	91.0
159.08138	5.7
160.04871	4.1
161.01122	2.0
161.02463	41.1
161.06110	4.9
162.02812	1.2
162.41464	0.9
163.03934	1.1
172.05258	1.2
173.06052	4.6
174.03322	1.3
177.05598	2.8
183.04549	2.2
185.06110	3.8
187.04054	1.8
201.05591	27.7
202.05939	1.6
203.03503	3.4
203.07179	17.8
204.07524	1.4
219.06731	1.0
227.07077	1.7
235.37068	0.9
235.39502	0.9
245.04575	76.4
246.04909	6.1
271.06155	5.4
279.10275	1.2
321.11346	4.0
323.09146	1.7
365.10278	15.5
365.14462	1.6
366.10693	2.0
383.53976	1.1
383.82114	1.1
409.09555	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	409.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
67.01905	3.7
69.08372	16.1
69.93662	1.8
78.57428	1.6
81.12709	1.7
81.83864	1.9
93.03468	10.5
107.05032	4.8
108.02165	2.3
109.02968	26.0
111.00885	6.0
117.03454	9.8
119.05037	100.0
120.05383	2.3
133.02959	9.2
134.03752	2.9
135.04547	80.0
136.04858	3.6
143.05037	27.6
145.01895	3.7
145.02980	55.4
145.06599	2.8
157.06578	4.5
159.04536	41.5
160.05101	2.7
161.02475	61.8
161.06099	19.6
162.02844	3.1
163.04198	2.2
169.06612	5.3
171.04631	2.2
172.05370	3.2
173.06137	14.6
175.04027	8.5
175.07672	46.4
176.07986	4.4
177.05576	7.6
185.02480	2.1
185.06070	7.5
187.04045	5.1
199.04007	2.6
201.05614	30.4
202.05951	2.6
203.03464	5.9
203.05441	2.3
203.07056	9.8
211.07664	23.6
215.07126	9.5
219.06636	5.1
221.04568	6.0
227.07237	3.1
229.01549	1.9
229.05063	5.6
245.04530	11.1
247.02603	2.0
253.08815	9.4
255.06650	35.8
256.07043	3.3
279.10345	2.5
299.05664	4.4
321.11343	29.3
322.11618	4.3
323.09406	11.6
365.10284	29.3
366.10651	3.2
409.09305	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	409.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
69.51765	1.6
69.52175	3.6
77.03940	0.7
81.03471	2.4
83.01390	1.7
85.02682	0.6
93.03480	7.8
95.05025	3.1
97.02970	5.8
98.21798	1.4
109.02247	1.3
109.02960	18.4
121.02992	4.3
123.04531	11.3
124.04923	0.6
125.02448	16.6
135.04584	1.6
137.02458	16.6
139.04053	3.7
143.05016	0.9
145.02959	2.5
146.03732	1.2
149.02466	3.7
150.03224	1.0
151.04016	7.2
159.04527	2.2
160.05257	1.6
161.02449	1.9
161.06091	5.3
162.03267	1.1
164.01175	3.0
165.01941	18.5
166.02519	1.1
167.03474	1.9
173.06113	1.1
175.04010	2.5
175.07672	2.1
177.05614	0.8
179.03503	4.9
185.06035	0.9
187.04042	4.3
188.04727	3.3
199.03967	0.7
199.07649	0.8
201.05559	1.0
202.06308	1.8
203.07141	11.4
204.07515	1.2
205.05106	5.6
210.73947	0.6
221.08199	3.5
227.07138	2.8
229.05083	1.2
231.02963	1.6
241.05063	2.1
243.06686	3.3
245.08208	15.0
245.28563	0.8
247.06030	1.1
259.06079	4.6
271.06186	2.4
289.07196	100.0
290.07562	9.8
317.64368	0.7
364.39517	0.9
409.09354	2.0
409.14331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
57.03440	4.9
59.01127	3.8
59.01385	39.9
61.98834	4.2
71.01389	65.4
71.26400	3.5
72.99311	5.3
73.02962	32.8
83.01399	14.1
85.02955	40.6
87.00886	4.9
89.02468	16.7
93.13485	2.4
95.01422	4.5
99.00891	13.5
101.02452	65.2
103.08526	2.7
111.00885	5.4
113.02491	27.4
119.05011	2.7
125.02457	11.3
131.03549	5.7
137.02449	3.7
143.03566	3.2
148.52377	2.6
159.03009	7.2
161.04610	24.8
163.00401	5.1
165.01961	3.3
169.01433	4.1
177.01978	4.9
182.12912	2.6
191.03383	2.6
193.01375	3.4
197.40567	2.6
203.03499	3.4
209.00955	4.2
247.02405	3.1
249.04123	4.4
277.13556	5.1
277.16580	100.0
278.17001	8.2
281.58542	2.8
300.99820	2.6
373.18564	4.0
409.20822	89.3
410.08771	3.2
410.21179	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	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
56.42843	1.0
57.03441	4.8
58.00582	2.2
59.01090	1.9
59.01385	34.8
64.65748	1.3
69.03477	1.3
69.35758	4.1
69.36185	4.3
71.01389	54.8
72.99313	2.7
73.02953	28.8
75.00838	2.1
78.95919	1.4
83.01404	15.3
85.02959	34.3
86.00091	2.9
87.00869	4.5
88.40711	1.3
89.02448	10.2
95.01402	4.5
97.02946	2.6
97.04417	1.2
98.22556	2.4
99.00899	12.7
101.02456	68.1
102.02781	1.6
111.00962	1.5
111.59435	1.2
113.02466	26.2
115.04082	2.3
125.02448	3.9
127.44196	1.2
129.02013	1.9
131.03488	1.8
143.03508	3.4
149.04482	1.6
149.84767	1.2
151.05478	1.1
159.02983	5.3
161.02499	3.0
161.04576	19.2
200.26515	1.3
209.97513	1.2
211.13353	1.4
233.06645	3.9
277.16586	100.0
278.16922	7.6
409.20840	65.6
410.21017	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	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
57.03440	4.9
59.01127	3.8
59.01385	39.9
61.98834	4.2
71.01389	65.4
71.26400	3.5
72.99311	5.3
73.02962	32.8
83.01399	14.1
85.02955	40.6
87.00886	4.9
89.02468	16.7
93.13485	2.4
95.01422	4.5
99.00891	13.5
101.02452	65.2
103.08526	2.7
111.00885	5.4
113.02491	27.4
119.05011	2.7
125.02457	11.3
131.03549	5.7
137.02449	3.7
143.03566	3.2
148.52377	2.6
159.03009	7.2
161.04610	24.8
163.00401	5.1
165.01961	3.3
169.01433	4.1
177.01978	4.9
182.12912	2.6
191.03383	2.6
193.01375	3.4
197.40567	2.6
203.03499	3.4
209.00955	4.2
247.02405	3.1
249.04123	4.4
277.13556	5.1
277.16580	100.0
278.17001	8.2
281.58542	2.8
300.99820	2.6
373.18564	4.0
409.20822	89.3
410.08771	3.2
410.21179	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	409.2364
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.37239	3.8
54.82105	4.0
65.48044	3.2
70.22193	5.0
70.22543	11.6
78.95917	85.5
86.10479	3.8
129.59096	3.9
152.99603	100.0
362.90051	3.9
409.23645	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	409.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	47.7
62.18913	28.1
98.21729	55.9
125.02452	28.7
137.02437	46.3
138.36461	31.2
145.01030	25.9
161.02455	27.3
163.00395	59.1
244.48203	33.2
247.13327	60.1
275.01944	43.8
314.00409	29.0
339.78949	30.5
395.07025	100.0
409.23483	60.4
410.09189	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.9
61.98838	9.8
71.01392	32.2
71.06177	11.7
71.26358	18.0
73.02948	16.1
85.02963	11.1
89.02461	26.3
96.96014	11.7
101.02435	21.5
113.02432	12.8
116.80462	9.1
151.53665	8.5
153.57745	9.9
161.09756	10.3
206.42523	9.5
219.13998	9.3
249.11293	84.0
249.14951	75.5
411.20590	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	410.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	45.1
68.75761	10.1
69.01061	16.9
69.01460	100.0
71.01406	51.8
76.62027	9.6
78.24332	9.2
80.49473	10.3
89.02445	68.3
98.22630	18.6
101.02438	17.8
113.02468	12.2
119.03513	24.1
135.04555	69.7
136.04861	40.7
143.03568	10.8
162.02655	18.1
170.14665	9.4
179.05701	22.8
181.49805	10.5
187.11336	39.6
366.10834	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0243
Annotation	Turgorin
Peak:m/z	Relative Intensity
53.38758	0.7
69.24883	6.1
71.01389	1.0
75.00833	0.8
79.95737	2.0
80.96522	2.7
87.00864	1.9
96.96022	100.0
98.21809	1.7
101.02437	2.3
113.02473	1.1
125.01543	1.3
125.02460	25.6
126.02766	1.3
150.97052	0.9
168.00645	2.2
169.01439	42.4
170.01816	1.8
182.75064	0.8
241.00256	77.6
242.00558	3.1
318.82294	0.8
321.05969	0.9
331.06647	8.8
411.02402	79.6
412.02768	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	411.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05664	1.2
60.99314	15.6
69.82838	6.5
77.03797	1.2
88.98816	100.0
94.93194	1.4
182.59578	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	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43817	2.7
56.38472	2.7
58.94592	2.6
59.01383	44.5
69.92535	13.3
71.01392	25.9
73.98924	2.9
83.01399	3.2
83.05037	2.7
85.02941	9.4
89.02444	31.5
95.05061	3.6
98.89668	3.2
101.02449	11.6
107.05022	4.1
113.02461	23.6
115.07680	4.0
119.03540	7.7
159.11771	3.3
161.04594	3.4
161.13380	54.9
162.13721	4.5
170.22083	2.6
179.05647	3.2
185.13344	4.9
187.11305	27.1
188.11662	2.7
191.69838	3.0
205.12346	100.0
205.20193	2.7
206.12573	7.8
219.13861	3.6
229.12376	14.4
231.10234	3.9
249.11304	29.8
259.13437	5.1
343.97412	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	411.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42341	6.1
59.01382	63.8
71.01383	44.6
71.86331	5.8
85.02966	9.9
89.02453	35.3
89.38596	5.9
95.01414	8.1
96.96029	30.8
101.02444	25.6
107.04999	7.4
113.02465	28.4
114.02634	5.9
119.03507	11.7
161.13371	47.4
179.05646	6.0
185.13397	7.6
187.11287	32.0
195.13930	9.5
205.12344	100.0
206.12589	7.2
208.90260	6.7
213.15027	65.7
213.65468	7.3
229.12299	24.8
236.28534	7.1
247.13409	8.7
249.11389	30.3
324.19064	6.3
411.20099	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	411.2028
Annotation	AFP 07 (free acid)
Peak:m/z	Relative Intensity
55.01863	1.9
57.03441	1.7
58.00587	1.5
59.01387	18.6
71.01392	16.6
72.99312	2.1
73.02966	3.5
83.01402	2.9
85.02973	7.4
89.02458	8.2
95.01391	1.4
98.21731	1.3
99.00871	0.7
101.02458	12.6
113.02464	5.6
114.46740	0.6
119.03513	2.4
141.63126	0.5
143.91153	0.7
145.02931	2.0
146.03310	0.8
156.56332	0.6
199.31094	0.6
203.14450	1.9
229.13200	0.7
231.13914	13.5
232.14229	1.2
233.15500	1.7
240.50842	0.6
249.15010	11.6
250.15359	0.9
294.69717	0.5
340.81787	0.5
411.20291	100.0
412.20621	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.203
Annotation	Plucheoside A
Peak:m/z	Relative Intensity
55.01874	1.5
57.03446	1.5
57.58886	0.4
58.00601	0.8
58.07185	0.5
59.01387	10.9
60.01696	0.4
64.20187	0.5
66.34066	0.4
69.00909	1.8
69.01339	2.7
71.01389	16.1
71.33429	0.5
72.99307	0.9
73.02950	5.3
73.32080	0.5
77.83753	0.5
83.01390	3.3
85.02960	7.9
85.44947	0.4
86.00109	0.5
86.53164	0.6
87.00861	0.6
89.02463	2.4
95.01404	1.5
96.83181	0.5
99.00886	2.4
101.02456	9.0
113.02465	5.6
119.03504	1.1
123.08179	0.5
125.02478	0.8
139.27635	0.6
140.04160	0.4
145.03009	1.1
161.04515	0.6
169.01500	0.7
187.14978	0.6
203.14449	3.2
205.15971	3.0
231.13910	2.1
233.15468	5.3
249.14984	30.1
250.15344	2.2
253.55815	0.5
265.56033	0.5
411.20273	100.0
412.20654	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	411.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55297	2.7
57.03445	3.6
59.01390	7.1
61.15488	2.6
65.01259	2.4
66.83377	2.8
69.41168	16.4
80.91673	3.0
81.03479	5.8
86.48989	2.8
88.13809	2.5
93.53719	3.2
99.08172	4.0
99.92602	29.5
103.12992	2.7
115.92106	7.6
116.92872	3.5
119.11037	2.3
125.02438	13.3
137.65256	2.5
139.11339	9.8
157.12384	3.3
165.12866	15.2
171.10257	16.3
193.08505	27.3
205.12042	4.0
211.13451	22.0
219.10144	3.7
221.11554	8.5
228.10950	2.8
229.14494	13.0
231.10048	10.3
233.11617	100.0
234.11922	6.4
246.45888	2.6
249.10991	10.3
251.11499	24.3
251.12413	21.1
265.83124	3.1
285.20679	3.2
294.05750	6.2
329.23312	53.9
330.23846	5.2
342.54276	2.8
351.21490	61.5
352.21594	6.4
376.13821	4.3
395.20850	3.1
406.39102	3.0
411.22995	7.1
412.15598	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	412.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52875	10.4
53.77950	12.4
61.31667	10.3
62.25474	11.4
65.67739	12.2
69.63596	12.5
71.27341	15.9
71.27804	16.7
80.20662	10.8
96.96026	41.7
99.92596	95.7
105.21812	10.7
109.96142	11.4
115.92061	24.4
116.92912	20.5
118.89998	100.0
127.69913	12.2
134.89494	34.1
135.90244	28.7
147.63393	11.4
255.46002	11.7
340.11246	13.8
376.13348	32.3
412.11401	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	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	81.4
61.98834	29.3
69.22308	100.0
69.22733	94.9
71.01397	40.3
89.02457	43.0
92.05083	60.0
98.22511	31.5
100.51513	24.8
112.27227	21.3
119.03527	22.6
125.02470	44.6
136.04074	63.7
167.03549	42.2
197.22292	23.1
224.53580	25.7
251.16513	42.7
300.89014	23.7
341.18918	24.0
378.93198	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17352	12.8
63.06574	12.2
78.95906	51.1
83.01410	14.2
95.20947	13.0
96.96033	20.8
98.22578	24.1
103.61546	11.0
111.00941	14.3
120.00098	12.8
125.02511	22.1
134.03705	13.2
152.99626	100.0
159.05380	14.5
169.01430	21.5
228.76717	13.3
248.21115	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	412.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58510	2.6
59.01386	100.0
61.57523	2.7
69.10667	28.9
71.01373	11.1
73.59812	2.8
74.19932	3.1
77.49789	3.6
80.61945	3.1
89.02439	9.3
92.01135	3.3
98.22540	6.6
101.02473	3.7
119.03509	5.5
121.02973	87.9
125.02454	7.3
129.05603	15.4
135.04543	78.7
138.62880	3.4
163.04053	10.1
167.03476	8.8
223.66991	3.0
263.93494	3.2
413.14584	44.4
420.53027	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	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.48514	97.5
69.48924	93.5
71.01390	40.7
89.02449	63.0
100.35790	28.9
119.03526	53.5
119.53677	27.1
125.02464	82.6
141.37370	31.1
144.97038	27.2
169.01450	44.3
178.99849	35.5
235.06075	40.6
236.06856	34.3
251.09300	53.9
252.51956	33.9
377.55573	29.4
406.74506	31.4
413.06476	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
69.52168	51.3
71.01380	70.1
81.33109	51.7
85.61934	48.9
89.02456	75.6
108.76471	50.8
112.39069	60.7
114.08984	52.9
119.03432	57.3
294.55325	63.8
333.02637	57.3
408.21588	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
63.84209	1.3
70.02993	7.8
70.03302	1.4
71.01382	4.5
72.00898	4.8
73.02962	1.4
85.02947	2.5
92.05070	100.0
93.05400	1.7
98.02488	44.0
99.04529	3.7
101.02430	3.7
106.04266	2.6
111.03276	14.3
113.02441	3.2
119.05074	7.0
121.06604	2.5
127.45881	1.3
130.06641	31.7
131.03735	2.2
131.05005	3.8
133.06581	1.3
136.04060	51.9
146.06134	3.6
156.29500	1.4
161.26543	1.5
173.07219	2.9
174.05620	42.2
175.05922	2.7
177.05594	17.8
189.12837	2.7
194.08238	43.8
198.05624	5.7
199.06458	15.1
207.13910	4.9
214.08737	12.4
217.07495	3.8
218.04599	57.8
219.04915	3.8
222.04556	1.4
231.13844	2.6
232.09789	25.5
233.12120	1.7
251.12917	27.6
259.06345	1.4
275.12955	2.7
276.08804	41.6
277.09082	4.2
308.31577	1.5
318.15558	1.3
343.41849	1.4
351.13577	3.1
380.44537	1.4
395.12418	1.9
413.13562	27.2
413.21762	7.9
414.13858	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	413.1358
Annotation	2-(5-(phenoxy)-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acid
Peak:m/z	Relative Intensity
59.01388	1.2
69.08624	4.9
71.01380	1.8
73.02938	1.9
82.02983	1.7
84.00891	1.5
85.02923	0.7
92.05070	96.8
93.03483	0.7
93.05372	2.8
94.02997	0.9
95.01393	6.2
98.02491	5.6
99.00897	0.7
101.02432	1.7
103.59040	0.6
110.02482	2.0
110.20304	0.6
112.04057	1.3
112.94859	0.7
114.64342	0.6
119.05022	1.5
127.17252	0.7
130.06699	1.0
131.03770	0.6
132.04599	0.8
136.04057	100.0
137.04410	3.1
138.01991	26.3
139.02379	0.8
151.00398	0.6
170.04608	20.1
173.07243	1.0
174.05635	1.4
176.03558	1.0
180.06660	0.7
187.08820	2.0
196.41350	0.6
200.07217	1.4
213.06761	1.1
218.08191	0.6
231.07784	1.5
239.98158	0.5
251.16539	3.8
262.07144	0.6
276.08807	2.0
296.78500	0.7
301.03568	0.7
301.80371	0.6
337.11923	7.4
338.12326	0.8
381.10989	2.9
413.13596	47.3
413.21713	8.8
414.13745	5.6
414.21951	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	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91401	1.0
53.15264	0.9
53.90815	0.9
59.01386	100.0
59.86188	0.9
62.94272	0.9
71.01385	6.8
78.95889	1.3
80.69411	0.8
89.02447	2.2
91.26962	0.9
101.02454	2.3
111.04535	1.2
112.61256	0.9
113.02460	2.0
121.02975	90.8
122.03298	1.9
125.02467	3.0
129.05602	16.5
135.04538	62.8
136.04871	2.7
152.99550	1.4
154.07452	0.9
163.04022	9.5
167.03526	3.6
173.02348	1.3
189.02025	1.3
191.03519	2.1
197.04416	1.2
217.05170	1.5
219.02863	1.4
223.06122	4.0
229.01315	1.2
247.02466	1.8
251.16470	1.7
413.14581	41.3
414.15021	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	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03436	0.3
58.00586	0.4
58.40155	0.2
59.01386	8.7
65.00330	0.3
67.01901	1.3
68.99834	0.4
69.03452	0.4
69.40471	1.2
70.77647	0.2
71.01389	4.9
72.99305	1.0
73.02942	0.6
73.55895	0.2
79.01901	1.6
83.01378	0.9
85.02953	1.5
87.00855	0.5
89.02448	2.4
91.75234	0.2
92.05055	0.7
95.01395	2.6
96.99334	0.3
97.02951	0.9
99.00896	0.4
101.02439	2.5
107.01400	4.0
108.02180	0.9
109.02948	0.3
110.00093	0.3
111.00893	3.6
112.04044	0.3
113.02455	1.5
119.03497	0.6
123.00899	17.3
123.04502	0.5
124.01740	1.8
125.02458	16.7
126.02772	0.6
127.00390	1.1
136.98805	2.3
137.02438	0.2
137.55014	0.2
139.00389	6.9
140.01178	5.3
141.01979	2.2
149.17780	0.2
151.00381	12.8
151.04057	0.3
152.00914	0.7
153.01941	0.7
154.99863	0.4
163.04065	0.4
167.03532	1.8
168.00644	4.6
169.01434	19.1
170.01776	0.7
179.03571	0.3
181.05013	0.3
209.04591	0.3
211.02507	3.1
232.06149	0.3
251.09268	0.5
271.04626	2.4
276.08850	0.3
308.79013	0.2
313.05643	0.9
399.49844	0.2
413.14551	100.0
414.14896	11.7
414.19305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1822
Annotation	Dichotomoside E
Peak:m/z	Relative Intensity
56.40987	1.7
59.01386	19.8
69.06352	3.7
69.06750	15.8
71.01395	15.9
73.02908	2.7
79.52685	1.8
80.02682	2.5
85.02977	4.4
89.02438	9.0
99.04520	4.5
101.02446	10.6
102.82133	1.9
113.02483	7.9
119.03525	4.8
121.06601	10.3
161.04617	3.1
177.08749	1.7
179.05627	3.1
189.12856	16.0
207.13867	16.6
231.13931	8.7
233.11903	5.8
251.12906	100.0
252.13271	6.8
275.12909	8.3
353.16058	2.8
408.90695	1.8
413.21912	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	413.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36354	2.5
55.01863	5.8
55.59719	2.4
57.03452	5.5
58.00594	4.9
59.01385	88.4
71.01389	100.0
71.26882	4.0
72.99308	7.5
73.02948	22.7
83.01398	9.9
85.02964	39.5
87.00867	7.6
89.02454	60.1
95.01411	8.1
96.96033	3.1
97.02957	3.2
97.06632	3.5
99.00893	8.8
101.02454	84.1
104.39475	3.2
113.02463	43.9
119.03512	23.4
125.02462	15.0
131.03537	3.1
132.83266	2.7
139.00392	3.2
143.03516	8.3
146.09142	2.8
149.06023	2.9
153.01953	11.0
159.02982	8.4
161.04599	34.1
163.07808	2.8
169.01428	6.7
175.03957	3.4
179.05577	7.2
192.04260	3.7
206.02368	3.5
207.06654	7.1
207.13898	8.2
233.11771	4.4
235.06261	5.0
237.37996	2.6
250.08412	6.9
251.09021	5.0
251.12898	11.5
272.94803	2.7
300.99945	10.3
302.39026	2.9
327.80859	3.0
357.74878	2.8
369.19382	14.1
413.18350	62.1
414.18527	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	413.2184
Annotation	Tentoxin
Peak:m/z	Relative Intensity
54.73446	3.0
55.01875	5.3
59.01387	48.4
61.98842	7.7
65.71777	2.5
68.99894	31.6
69.65014	2.8
71.01028	4.6
71.01392	59.7
72.99309	5.6
73.02941	10.4
78.04881	2.7
83.01401	7.0
85.02964	19.2
87.00897	4.6
89.02457	28.4
95.01395	4.3
99.00897	6.2
100.78907	2.7
101.02460	39.5
101.86261	2.7
113.02467	22.2
116.97304	3.6
119.03522	11.7
161.04553	6.8
189.16585	5.5
195.48477	2.5
221.38904	3.2
242.17839	3.3
251.16542	6.3
381.48782	2.9
413.21857	100.0
414.22226	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13202	1.2
55.01872	4.0
57.03449	4.4
58.00587	1.1
59.01388	23.2
71.01388	45.0
72.99316	1.2
73.02960	15.8
83.01400	9.1
85.02960	22.6
87.00868	2.6
89.02447	4.2
92.05090	1.5
95.01395	4.4
97.03014	1.2
98.21724	2.6
98.22402	5.4
99.00879	7.4
99.04512	1.6
101.02453	36.9
111.68229	1.0
113.02463	20.0
119.03561	1.6
125.02459	1.4
129.01877	1.1
141.81386	1.0
159.02985	2.9
161.04602	10.6
214.13562	1.1
228.76115	1.6
251.12949	4.7
251.16542	3.6
391.24301	1.0
413.21829	100.0
414.22162	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39188	0.8
52.11319	0.8
55.01887	0.9
57.03441	1.6
58.00587	1.6
58.91848	0.9
59.01392	18.5
59.41908	0.8
65.94679	0.8
69.19038	6.5
71.01390	21.5
73.02942	3.2
75.00854	0.8
83.01385	3.8
85.02976	9.5
87.00859	1.2
87.04526	4.8
89.02456	9.7
91.45368	0.8
95.01402	2.0
96.91956	0.8
99.00874	1.9
101.02452	13.7
110.65738	0.8
111.00777	0.9
113.02465	8.3
119.03485	2.9
125.02476	1.6
135.08177	8.9
147.08186	2.1
156.41631	1.2
160.02493	0.9
161.04544	1.5
163.11310	3.5
169.01430	1.8
169.10706	1.1
191.10887	1.0
192.79192	0.9
205.12187	0.9
207.13951	7.8
224.39241	0.9
233.15562	6.7
235.13354	4.1
249.14981	1.8
251.16537	71.5
252.16856	5.6
270.98892	5.6
271.04535	0.9
275.61032	0.9
298.98407	6.8
314.00729	7.0
329.03104	9.3
365.04828	0.9
413.21832	100.0
414.22247	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03448	2.8
59.01385	21.9
71.01385	18.8
71.27501	0.8
71.27848	1.7
72.99319	1.6
73.02947	4.6
83.01385	3.4
84.29487	0.8
85.02959	6.1
87.04498	6.5
89.02450	13.6
95.01388	2.1
98.70358	0.8
99.00879	1.6
101.02455	14.2
111.00871	1.4
113.02470	4.8
119.03476	4.9
125.02453	2.7
135.08176	10.4
135.23615	0.7
137.02364	0.9
146.25674	0.8
146.65855	0.8
147.08223	1.6
157.08286	0.9
161.04559	1.3
163.11343	6.0
185.30267	0.8
191.10780	2.3
205.12331	1.1
210.79747	1.0
230.73561	0.8
233.15524	5.9
235.13376	6.8
236.13606	1.0
240.94742	0.8
246.36369	0.8
249.14909	2.5
251.16539	76.9
252.16846	6.0
298.98273	1.2
329.03027	1.1
413.21832	100.0
414.22293	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	414.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39027	10.0
55.01870	10.5
59.01387	100.0
65.00353	13.3
71.01388	73.1
71.26389	18.7
71.26726	12.3
83.01409	14.9
83.30279	11.0
85.02966	28.7
88.04073	9.9
89.02454	67.8
92.05082	37.5
98.02505	41.0
99.00931	22.4
101.02463	52.9
108.02176	23.2
109.02979	41.1
111.00929	10.8
113.02477	24.0
119.03500	22.4
123.00857	19.8
125.02466	40.8
130.94568	9.9
136.04057	42.4
137.02480	22.0
149.02390	13.4
150.56689	12.5
161.02521	21.9
161.04543	15.1
162.02251	14.7
163.00400	21.1
169.01411	30.2
170.01715	13.3
173.02496	15.4
174.05586	11.3
189.01913	13.6
190.99883	10.9
191.03502	47.1
193.01389	11.9
196.06190	23.7
217.01500	14.7
218.04636	24.4
219.02849	12.8
229.01375	13.7
242.56938	13.1
245.00938	14.6
247.02524	51.0
273.00693	13.4
414.15048	42.1
414.22183	36.4
415.11752	19.0
415.23053	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	414.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57625	8.6
51.42346	8.8
58.00594	9.4
59.01379	62.3
61.98831	12.3
68.96228	9.9
69.03040	100.0
69.03346	8.9
71.01391	64.8
72.99296	9.8
73.02934	14.9
85.02944	26.3
89.02464	59.2
92.05054	9.4
98.22414	27.4
99.00909	22.6
101.02443	35.6
104.53584	8.8
113.02449	23.0
119.03474	28.5
121.03019	11.6
125.02459	10.7
136.04047	10.4
161.02356	9.9
161.04515	11.3
163.00299	16.3
167.52661	10.8
169.01389	15.0
174.02939	10.2
175.04033	14.6
189.01984	21.1
190.99825	11.6
201.01936	17.1
203.03589	20.3
217.01395	12.3
221.04430	9.1
229.01434	16.9
242.62469	9.9
245.00929	15.6
247.02396	19.1
252.13162	16.5
261.00400	9.9
273.00513	12.0
371.20502	19.5
414.22232	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	415.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06874	9.9
53.43982	9.0
59.01393	18.0
71.01379	15.4
71.25616	10.7
88.98810	69.2
89.02493	12.3
93.03465	18.2
100.74592	11.8
101.02439	11.6
102.01817	9.4
111.04546	14.3
125.02451	66.4
140.01079	12.9
155.03528	16.1
168.00661	21.8
169.01460	100.0
253.05975	11.9
296.77945	10.6
325.05792	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83726	0.5
54.53881	0.6
57.03456	4.5
59.01373	1.5
60.49126	0.5
65.00323	0.6
67.01902	0.6
69.03465	0.7
71.01380	3.0
71.26472	0.5
71.26921	0.9
73.02941	0.9
81.03449	1.8
83.01388	2.6
83.05030	1.2
85.02956	1.1
87.00896	0.6
87.23883	0.7
89.02445	0.9
92.05059	1.2
93.03441	0.9
95.01428	0.9
98.02509	1.6
101.02441	1.1
107.01399	6.7
108.04568	1.7
109.02980	2.2
109.06586	0.7
110.00043	0.6
111.00907	2.2
112.04139	0.6
113.02470	0.6
119.05085	0.6
121.02959	1.3
123.00896	1.9
124.01678	1.3
125.02460	100.0
125.06069	4.7
126.02784	3.6
127.00389	1.1
129.07172	0.8
131.05037	1.2
135.04538	2.3
136.04008	0.9
136.98865	1.0
137.02463	17.3
139.00410	1.8
140.01170	2.7
145.06635	0.8
147.04468	0.6
149.02455	3.6
151.00417	0.8
151.07631	0.6
152.03493	0.6
156.03032	0.5
157.06586	1.3
158.03748	1.3
159.04536	2.2
161.02483	1.0
161.04625	0.7
163.04024	2.3
167.03589	0.5
168.00653	3.8
169.01440	31.6
170.01811	1.4
173.06082	4.5
177.05618	1.3
177.22379	0.6
189.05557	0.9
190.05176	0.9
200.16017	0.6
201.05539	3.8
217.05040	3.1
219.06610	4.2
233.04523	1.6
245.04434	4.3
245.06548	0.5
253.07181	22.3
254.07536	2.1
262.07288	1.0
263.05630	13.3
264.06024	0.9
269.69934	0.6
277.07251	0.5
336.78925	0.8
415.06772	21.3
415.11700	1.0
416.07037	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	415.1613
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	1.1
59.01391	7.1
67.01888	1.0
68.98020	4.4
68.98444	1.7
68.99543	0.7
70.72169	0.5
71.01389	8.9
72.19650	0.5
72.99303	1.2
73.02965	2.6
79.01897	1.4
82.90113	0.5
83.01384	2.1
85.02960	4.6
89.02455	3.0
95.01387	2.9
97.02953	1.1
99.00896	1.5
101.02449	5.9
107.01404	4.5
110.00057	0.8
111.00879	3.8
112.98534	0.7
113.02465	3.1
119.03525	1.2
123.00896	17.3
124.01705	1.4
125.02458	16.5
127.00359	1.6
136.98804	1.9
137.02385	0.6
139.00385	6.1
140.01190	4.9
141.01979	2.8
148.25792	0.5
151.00375	12.6
151.03967	0.5
152.22304	0.5
153.01945	1.2
159.02936	0.5
161.04559	2.0
163.03960	0.8
165.01945	1.6
168.00674	4.6
168.67041	0.5
169.01447	17.2
170.01732	0.6
213.84363	0.7
251.87915	0.6
301.03314	0.5
313.05524	1.5
406.64438	0.5
415.16113	100.0
416.11386	0.9
416.16489	11.6
416.21136	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	415.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18682	0.6
71.02373	0.7
74.99097	5.7
77.00671	76.2
78.00999	0.6
122.11763	0.6
147.08205	2.1
149.09726	1.8
161.09740	2.0
163.11330	2.9
187.11270	2.9
265.12427	0.7
279.13806	1.3
280.14740	1.1
282.47076	0.7
307.17130	0.8
309.22232	2.4
321.18649	0.8
337.21753	100.0
338.22095	11.7
415.23138	9.7
416.23392	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	415.2342
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
52.21065	1.9
55.38158	1.8
59.01388	19.2
59.27128	1.5
61.98808	2.2
70.95230	1.7
71.01388	17.8
73.02937	5.8
84.23547	1.6
85.02937	6.3
89.02460	8.8
99.00888	2.0
101.02451	13.5
103.92010	3.3
113.02487	8.3
119.03558	3.9
129.01941	2.5
232.60739	1.7
235.17032	3.7
237.18634	25.5
253.18069	19.2
259.02332	2.0
262.64493	1.6
291.15457	1.7
318.03305	3.0
412.97604	1.8
415.23416	100.0
416.23828	14.9
437.92087	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	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76231	4.2
59.01384	100.0
62.39156	4.4
71.01388	87.7
71.28681	9.7
72.99300	7.1
73.02949	14.6
83.01394	10.8
85.02954	27.2
86.00112	8.7
87.00890	17.4
89.02450	76.6
99.00900	12.5
99.04561	6.2
101.02451	62.8
101.06099	5.1
113.02460	38.0
119.03529	35.2
119.04302	5.5
121.10256	13.1
125.02400	5.3
127.04066	10.3
147.11760	25.2
159.02951	6.5
159.06654	28.6
161.04588	38.9
167.07141	27.3
179.05716	10.3
191.14334	6.0
209.15468	23.1
235.13475	5.0
249.09807	7.0
253.14427	40.9
275.11487	5.6
415.23352	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	416.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03621	1.8
58.00594	2.2
59.01385	100.0
60.01717	9.1
69.19147	4.5
69.19554	10.7
70.40012	1.7
71.01388	71.9
72.01720	8.2
72.99311	4.3
73.02955	62.5
74.03275	10.3
76.53109	2.1
83.01398	17.6
84.01714	3.4
85.02967	17.5
86.03285	2.5
86.72903	2.1
87.00886	2.3
89.02455	23.3
90.02785	4.0
91.07648	1.6
95.01406	3.7
99.00888	3.8
101.02454	62.8
102.02802	13.7
113.02451	21.1
114.02790	5.6
119.03529	9.9
125.02475	3.0
129.84615	2.1
131.03546	2.9
141.09134	1.8
143.03529	7.0
144.03886	2.2
149.04582	3.6
161.04561	18.5
162.04912	4.4
193.12427	2.8
194.12723	4.3
214.91942	1.8
242.58917	1.9
322.79504	1.8
374.19086	8.5
416.19943	23.9
416.24564	2.4
417.20374	3.0
417.25015	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	416.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89865	1.7
57.43223	1.9
59.01386	13.8
63.53459	1.7
69.18521	16.1
71.01389	11.5
73.02953	4.8
83.01392	3.2
85.02962	5.0
89.02438	4.4
99.00905	1.6
101.02453	8.1
113.02433	4.1
119.05064	3.1
135.00966	4.7
149.00681	1.9
153.86618	1.6
161.04529	2.9
187.04099	3.1
202.25478	1.7
211.04007	4.0
227.03523	71.4
229.05099	4.4
255.03012	100.0
255.06670	5.6
256.03806	8.5
257.04538	2.5
283.02618	2.5
284.03293	89.7
285.04068	68.0
373.35260	1.8
374.68369	1.8
399.00891	2.0
416.23810	15.6
417.08276	72.6
417.20685	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	416.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94197	14.5
53.44019	10.2
59.01394	16.7
71.26538	19.4
85.02941	60.2
96.14707	14.3
99.00883	30.5
111.00920	12.8
119.05024	13.5
124.30996	13.5
125.02401	16.7
126.14133	12.9
129.01881	14.4
132.39281	12.8
135.04468	15.3
137.02405	19.4
141.76390	11.5
145.02934	16.0
147.04555	13.8
161.02428	17.6
163.00386	42.5
163.04050	23.6
165.02057	14.8
173.02377	15.4
175.03976	16.4
189.01915	19.6
190.02780	19.3
191.01968	16.2
191.03505	48.7
193.01505	29.1
203.03572	28.2
204.03896	13.1
217.01422	23.0
218.99367	18.6
219.02907	25.9
229.01485	31.1
237.00482	18.8
245.00859	36.3
247.02501	100.0
273.00473	53.7
275.01907	21.9
301.00076	18.5
417.04556	34.8
417.20993	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	417.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19606	0.4
59.01392	0.8
60.88731	0.4
62.96893	0.5
63.39317	0.4
66.58069	0.4
69.21587	3.9
83.01409	0.6
92.99112	0.4
100.18758	0.5
107.01402	0.7
109.03001	0.6
110.90737	0.7
132.02264	0.6
151.00397	1.5
163.00404	0.9
183.04555	1.6
185.06233	0.7
187.04022	1.0
211.04041	2.6
227.03517	77.5
228.03889	5.3
229.05099	2.3
239.03494	0.7
255.03003	97.8
256.03534	14.6
257.04443	1.7
277.42270	0.5
284.03284	96.8
285.03961	28.1
286.04385	2.0
289.07175	0.7
327.05173	1.3
360.45264	0.5
417.08298	100.0
418.08633	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	417.0833
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
65.00331	0.7
66.16207	0.3
69.43651	2.1
69.80650	0.4
93.03467	1.0
96.21205	0.4
107.01405	1.4
109.03024	0.4
125.02506	0.5
132.02167	0.9
135.00873	1.2
143.05051	0.5
151.00368	1.6
159.04501	0.9
163.00359	1.5
164.01114	0.4
165.01976	0.5
167.05023	0.6
169.06593	0.4
171.04539	0.6
174.03093	0.4
178.99887	0.5
182.03796	0.4
183.04549	2.0
185.02417	0.5
185.06084	1.3
187.04016	1.7
189.05664	0.5
197.06047	0.6
199.03860	0.7
202.57726	0.4
211.04007	2.8
213.05511	0.8
215.03546	0.4
227.03520	76.2
228.03848	5.7
229.05058	5.3
230.05318	0.4
239.03444	1.1
240.04277	0.5
241.04947	0.7
255.03008	100.0
256.03525	14.2
257.04529	3.5
269.04422	0.6
283.02405	0.5
284.03287	84.2
285.04031	72.0
286.04391	5.7
327.05066	0.8
417.08325	64.6
418.08691	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	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.7
58.42880	0.6
59.01388	21.6
67.01890	1.2
69.45991	4.3
71.01393	14.1
72.99305	1.6
73.02962	0.7
77.66970	0.6
79.01910	1.1
83.01401	1.6
85.02956	3.8
89.02454	13.7
93.83736	0.7
95.01410	2.7
97.02965	0.9
101.02464	11.0
103.04039	1.8
103.91929	0.6
107.01411	3.4
108.02255	0.9
109.02962	1.5
111.00897	2.5
113.02467	5.1
114.69772	0.8
119.03511	4.9
123.00901	12.4
123.04498	1.5
124.01698	1.6
125.02470	21.0
126.02828	1.0
131.08272	2.5
132.04671	0.8
136.98846	0.7
137.02515	0.8
139.00365	4.3
139.04100	0.7
140.01149	2.5
141.01950	1.6
144.11432	2.7
151.00395	7.3
152.01082	1.0
153.01912	1.0
153.05727	0.8
167.03477	1.4
168.00653	7.6
168.99991	1.6
169.01450	31.2
170.01785	1.7
173.10483	1.4
182.02223	1.6
186.12433	0.9
197.04616	2.0
211.02502	27.8
212.02861	1.6
223.39218	0.7
265.09341	7.7
271.04611	41.9
272.04883	2.8
272.13681	2.0
313.05698	1.1
331.06848	3.1
399.04547	0.7
399.09045	3.2
417.10400	100.0
418.10693	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	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80986	1.3
56.01393	1.2
59.01388	23.4
62.26773	1.3
67.01878	1.5
69.04694	3.3
69.05105	9.3
71.01383	15.0
72.98313	1.1
85.02964	11.9
89.02452	17.9
95.01408	1.5
101.02450	7.9
107.01425	6.6
111.00870	2.2
113.02473	5.1
119.03540	7.6
123.00928	2.9
124.01663	2.4
125.02463	38.7
126.02814	1.6
128.15448	1.3
136.98761	1.8
139.00394	4.6
140.01146	5.0
149.04549	2.7
151.00346	2.3
161.04651	1.6
165.01886	1.8
167.03555	1.6
167.99362	1.8
168.00645	16.0
169.01447	59.4
170.01772	4.0
179.05585	4.1
211.02493	74.9
212.02884	3.3
241.03500	2.7
265.09235	12.5
271.04614	99.7
272.04941	5.5
331.06754	6.9
417.10403	100.0
418.10834	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	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39684	0.7
51.44112	0.7
58.07475	0.7
59.01374	0.7
59.10843	0.8
69.09982	7.1
71.01376	2.9
73.02941	0.8
85.02951	1.5
95.01368	1.1
108.02180	51.8
108.49319	0.7
109.02979	21.6
123.00903	1.0
125.02444	1.0
151.03979	1.5
152.01161	90.4
153.01682	3.2
156.47417	0.7
163.04024	1.8
165.10675	0.7
169.01395	1.1
208.58003	0.8
211.02461	1.3
219.95638	0.7
221.99146	1.0
241.07149	3.5
252.85519	0.7
271.04611	1.3
310.78741	0.8
417.10388	100.0
418.10672	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	417.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43818	2.6
59.01382	42.4
61.98843	5.2
62.33491	2.8
71.26340	3.4
78.60950	2.7
107.89442	2.9
108.02193	35.6
109.02982	15.6
115.30486	2.8
123.00867	3.9
125.02457	2.8
150.03250	59.0
152.01172	66.4
153.01561	3.9
162.48073	3.5
165.05585	61.3
169.01385	3.9
180.04341	12.0
195.06644	100.0
196.06992	5.5
211.02429	3.3
221.37154	2.7
271.04764	4.2
298.37357	3.3
356.31903	3.8
361.89169	2.7
417.10385	68.3
418.10684	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01708	1.3
61.49879	0.6
61.98819	0.7
63.73934	0.6
69.09206	6.4
85.02979	0.7
101.02434	0.8
151.00450	0.7
163.00435	0.8
183.04530	0.8
213.64363	0.6
227.03510	16.1
227.05655	1.1
228.03908	1.3
229.05157	1.6
249.31252	0.7
255.02997	21.0
256.03491	4.2
257.04361	0.7
284.03275	20.7
284.06314	1.2
285.04059	14.9
286.04376	1.5
367.83380	0.7
417.08347	16.2
418.08759	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2502
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
51.93674	0.8
55.01885	4.3
57.03453	4.7
58.00599	2.8
59.01386	72.3
63.41435	0.8
64.72833	0.7
71.01389	100.0
72.01737	1.6
72.99323	5.5
73.02956	18.1
81.03445	1.0
81.34451	0.9
83.01392	10.5
84.02183	1.0
85.02958	35.2
87.00890	5.1
87.04553	2.1
87.44277	0.8
89.02452	53.1
95.01395	5.2
97.02969	2.5
98.22171	4.9
99.00911	7.5
101.02456	66.8
102.02762	1.2
110.77573	0.8
111.00879	1.5
113.02465	39.8
119.03519	24.6
119.04356	1.7
125.02456	2.1
131.03506	2.8
143.03523	6.0
149.04555	1.5
153.19897	0.8
159.02986	6.9
161.04576	33.3
179.05649	8.6
179.14555	1.0
210.37321	0.8
215.61392	1.0
233.77206	0.8
255.19743	3.0
295.05212	0.8
356.07397	1.2
417.16196	0.9
417.24945	17.8
418.25235	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	417.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
57.03452	5.8
58.00603	2.3
59.01385	44.5
62.47334	0.5
69.03452	0.9
69.11683	4.3
71.01389	100.0
72.01727	1.4
72.99320	1.8
73.02953	25.9
75.00879	0.8
79.35778	0.7
81.03489	0.5
83.01396	9.4
84.02191	0.8
85.02960	40.2
87.00889	2.7
87.04529	2.6
89.02457	27.8
95.01386	8.1
97.02967	2.2
99.00890	12.2
99.01471	0.9
100.01252	0.6
101.02455	56.6
102.02789	1.1
111.00932	0.8
113.02464	39.4
114.02819	1.4
119.03510	12.8
125.02473	2.3
129.01987	1.3
131.03560	1.1
143.03491	4.4
145.51353	0.5
149.04616	0.8
154.33493	0.6
156.41159	0.5
159.03000	8.5
159.77013	0.5
161.04576	44.8
162.04953	1.4
179.05582	2.6
196.01981	0.6
205.03529	0.6
218.71228	0.7
228.03708	0.5
255.19675	2.4
270.45767	0.6
273.66187	0.6
297.20822	0.9
401.62247	0.6
417.16422	0.9
417.25021	23.8
418.25436	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	417.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07417	0.7
55.01886	5.6
57.03453	4.9
58.00603	2.6
59.01386	68.2
69.03445	1.2
69.13065	2.4
69.13488	3.7
71.01389	100.0
72.01730	0.8
72.99319	3.0
73.02952	21.9
83.01390	9.7
85.02959	36.1
86.03338	0.8
86.80137	0.7
87.00899	3.4
87.04549	2.3
89.02454	35.3
93.77493	0.7
95.01400	8.7
97.02971	1.4
99.00897	9.8
101.02454	69.7
102.02799	0.9
112.01691	0.7
112.22693	0.6
113.02464	44.4
114.02812	1.3
119.03513	14.9
125.02514	2.2
131.03503	1.7
143.03513	6.9
149.04565	1.4
157.28526	0.6
159.03021	7.5
161.04578	43.8
162.04927	1.5
179.05640	4.2
205.03511	1.1
227.03476	4.8
229.05075	1.1
245.29993	0.6
253.77393	0.8
255.03000	5.4
255.19722	2.7
277.16763	0.8
284.03210	6.8
285.04007	4.9
286.04465	0.7
324.08572	0.7
417.08557	4.6
417.24994	34.3
418.25342	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	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.0
57.03446	2.5
58.00588	3.5
58.48169	0.7
59.01384	100.0
63.47178	0.7
66.06872	0.7
67.45982	0.8
69.11870	6.9
71.01389	77.9
72.99304	3.6
73.02952	8.2
75.00861	1.1
83.01397	5.9
85.02481	1.3
85.02964	21.2
87.00861	4.1
89.02454	68.9
95.01403	5.4
97.02965	0.8
98.22060	3.0
99.00908	4.6
101.02454	47.0
102.02791	1.1
111.60625	0.7
113.02462	34.2
119.03516	32.6
125.02455	1.1
127.50085	0.8
129.01852	1.0
131.03517	3.1
137.09731	1.5
143.03543	7.3
149.04594	2.5
159.03006	3.4
161.04561	20.2
179.05643	12.2
180.06052	0.8
229.66110	0.9
255.19696	10.3
320.79160	0.8
417.24963	41.0
418.25284	8.0
430.32108	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	419.026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71638	1.5
69.88581	6.3
78.49662	1.6
79.48051	1.5
84.99316	2.7
98.21841	2.2
98.22382	3.2
104.25348	1.8
108.02055	1.8
112.98826	37.0
117.03490	4.6
119.04991	2.0
123.06887	2.0
133.02933	1.9
143.04990	2.3
145.02962	11.0
147.04498	2.5
157.02873	2.0
159.04469	2.6
161.02461	5.2
163.04030	2.6
169.02954	4.5
171.04529	3.4
173.02568	8.6
174.03197	2.0
175.03870	1.8
181.52145	1.9
185.02432	5.5
189.01913	4.2
189.27415	2.0
190.02734	7.1
191.03268	2.1
197.02451	7.1
199.03990	3.3
201.02000	10.1
202.02483	2.0
203.03539	4.2
213.01932	5.5
214.02560	1.8
214.19856	1.6
215.03459	4.7
216.00456	1.7
217.01387	10.0
218.02159	7.4
220.00301	1.7
225.01939	6.6
227.03471	6.9
229.01434	26.9
230.01891	3.8
230.99295	4.7
231.02998	6.1
232.00093	3.6
233.04510	2.6
241.01448	8.1
242.99545	1.7
243.02985	10.2
244.00209	2.2
245.00955	11.3
246.01614	4.3
247.02361	2.7
249.04050	12.2
250.99767	2.2
253.01363	7.2
255.02965	2.0
256.00342	1.9
258.01736	2.9
259.02588	2.3
261.04062	5.6
269.00983	13.9
271.02478	17.3
272.02789	2.7
273.00388	14.2
274.01199	3.8
275.02115	9.4
275.04587	1.8
277.03540	16.0
279.84537	2.0
281.01187	2.9
287.01849	2.0
297.00436	14.4
298.00983	4.3
299.02045	6.9
299.99106	7.7
300.99808	3.2
305.03067	100.0
306.03156	8.0
313.00201	2.3
315.01517	18.7
316.01944	2.1
322.98209	2.4
324.99924	11.8
340.99139	2.2
343.00995	9.8
347.04181	7.9
357.02621	6.3
368.98871	18.9
375.03577	1.9
386.99957	18.1
401.01364	13.1
419.01971	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	419.099
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
59.01385	3.5
59.21434	0.7
63.02387	2.0
63.41285	0.6
65.00330	6.2
69.21777	5.4
71.01369	1.7
73.83170	0.7
83.01402	5.0
89.02464	1.6
93.03442	1.8
95.01401	1.3
96.02165	1.3
107.01401	7.8
111.00894	2.7
117.03416	1.2
123.00926	3.6
124.01678	14.0
125.02477	9.6
131.36417	0.7
133.02942	1.2
134.03745	3.1
135.04514	3.0
139.00363	3.5
141.01973	1.6
151.00381	25.9
152.01166	94.0
153.01532	3.0
165.01944	1.0
169.01433	1.5
169.06604	0.9
173.06111	1.0
177.05600	0.9
178.99873	100.0
180.00424	5.7
183.04514	0.8
197.06093	1.0
201.05530	1.0
204.24332	0.7
215.07141	1.9
225.05557	1.8
227.03465	0.9
228.03899	0.9
229.03961	0.9
241.05032	0.8
243.06595	1.8
244.97255	0.8
255.02979	1.2
256.03384	1.2
256.89478	0.9
257.03510	0.9
259.03369	1.2
259.06125	27.9
260.06470	2.7
269.04575	37.1
270.04904	2.6
285.03769	1.1
286.04852	16.1
287.05621	35.1
288.06049	2.8
324.23898	1.0
419.09821	59.4
419.22089	3.6
420.10129	6.4
434.64270	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	419.1352
Annotation	4-deoxyphloridzin
Peak:m/z	Relative Intensity
58.40440	0.4
59.01376	1.2
65.03970	4.1
68.97502	4.3
71.01395	0.8
80.41730	0.4
80.91685	0.4
87.60003	0.4
91.01891	0.9
93.03474	2.3
107.05042	7.8
107.38387	0.3
108.05343	0.4
109.02957	6.3
122.03741	1.7
125.02457	1.2
130.08778	2.2
135.00912	1.7
136.01747	0.5
150.03252	2.6
151.04019	100.0
152.04350	4.4
153.01974	0.9
163.04015	1.4
169.01433	1.7
229.04045	0.4
257.08215	55.7
258.08575	5.1
284.62445	0.4
286.03986	1.3
287.04489	0.6
338.19775	1.5
359.63193	0.4
419.08728	1.0
419.13492	13.5
420.13724	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82818	0.9
59.01386	100.0
60.67931	1.0
65.67374	0.9
71.26756	1.9
84.69904	1.0
95.21870	0.9
122.21224	1.0
125.02473	1.1
137.02440	2.5
167.03523	2.9
182.05891	5.8
197.08195	11.1
209.04645	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	419.1716
Annotation	15-Acetoxyeremantholide B
Peak:m/z	Relative Intensity
57.03451	1.0
59.01389	7.9
65.00317	2.1
65.12770	1.0
67.01871	2.6
68.99799	1.4
71.01368	2.3
71.26929	1.8
72.99313	2.5
83.01384	2.1
83.02090	1.1
87.00873	1.4
96.95821	1.1
110.00134	2.7
111.00901	18.0
112.98782	1.4
123.00881	2.6
124.01671	7.8
125.02489	7.5
127.00381	7.4
136.98822	13.6
139.00386	19.7
140.01183	26.5
143.39720	1.2
151.00381	2.6
154.99895	1.7
168.00662	58.3
169.01427	10.4
173.77365	0.9
178.19475	1.2
201.15007	1.8
209.11856	2.9
213.25710	1.1
266.23279	1.1
267.16028	3.8
331.19174	2.5
375.18118	6.5
401.16022	2.4
419.17133	100.0
420.07468	2.6
420.17450	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	419.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58527	0.7
57.03448	1.4
59.01086	1.0
59.01383	17.8
67.76277	0.7
71.01385	12.1
72.99292	1.4
73.02911	1.1
77.97494	0.6
83.01385	1.5
85.02950	4.5
87.00863	1.3
89.02467	6.5
95.01360	1.0
97.04727	0.7
99.00893	1.0
101.02450	7.3
113.02447	3.3
116.49988	0.7
119.03509	2.7
169.01344	0.9
185.15926	0.6
197.19206	1.0
220.85472	0.7
239.20154	5.7
257.21231	11.0
258.21503	1.2
401.25366	1.3
419.26529	100.0
420.26926	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	419.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89933	5.5
59.01390	100.0
68.97002	17.9
68.97411	42.6
70.05640	4.8
73.02962	6.6
98.21832	14.3
98.22511	13.7
116.95075	5.1
119.21393	5.0
125.02470	9.8
187.13458	7.5
201.15102	7.9
257.08185	12.5
290.73090	5.5
305.86203	5.8
359.28119	49.9
360.28253	10.0
419.16989	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	420.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.3
61.98851	1.1
64.28815	0.8
71.27037	1.0
76.10277	0.9
159.03313	1.3
165.51639	1.0
190.98196	0.8
193.24921	0.8
199.02687	1.2
215.02237	3.3
216.00716	1.1
242.00966	2.0
243.01721	2.9
271.01221	1.8
282.00525	4.1
283.99493	1.6
297.00470	4.0
297.99915	9.3
299.00732	77.3
300.01318	10.9
312.01517	16.7
313.02072	4.9
318.40656	1.0
342.11304	1.0
343.03110	0.9
420.07297	100.0
421.07602	12.0
421.18854	1.3
443.20779	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	420.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88607	1.2
58.02982	8.0
59.01372	3.6
64.37315	1.1
66.03481	2.2
66.67569	1.3
69.75817	1.1
71.01392	1.8
72.00893	1.4
74.02479	18.6
86.02489	7.1
86.69345	1.2
86.99121	1.3
87.05637	4.8
90.00199	1.9
97.04089	2.3
98.21788	2.5
99.05662	14.4
101.07236	3.2
102.05626	2.1
107.06138	1.7
107.36426	1.4
109.04107	2.1
109.48654	1.2
111.05673	1.9
112.04073	2.5
113.07195	1.6
123.05625	2.5
125.03588	2.2
127.05116	3.5
127.82982	1.2
128.03555	44.3
129.03871	2.3
135.05644	3.3
141.06720	3.4
143.04637	61.6
143.05766	3.0
144.01385	1.5
144.04962	2.1
145.02982	1.2
145.06189	3.4
146.04599	4.9
147.04729	1.4
149.53679	1.2
153.06705	5.8
160.00749	15.9
163.04100	1.4
166.09793	2.9
167.04611	4.7
167.08270	1.9
169.01414	1.9
170.03363	1.8
177.03401	6.5
179.04630	13.9
181.06122	1.5
185.05721	1.6
188.78101	1.2
197.05650	3.4
210.08853	12.1
228.09906	1.7
229.01445	2.4
233.46561	1.4
237.39072	1.3
245.00865	1.9
249.03986	1.8
254.07860	19.2
255.08061	2.3
272.08905	31.1
273.09186	1.6
275.01962	3.3
288.06570	10.0
300.99951	11.0
306.07693	100.0
307.08041	8.7
318.73169	1.3
420.14551	2.5
421.04083	4.5
421.17160	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	420.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26828	3.6
51.39923	4.0
61.98838	100.0
63.56973	3.6
71.27619	3.5
71.27984	3.8
80.18354	4.2
111.58923	4.1
125.02461	6.3
169.01413	10.1
217.96968	4.2
251.32648	3.9
299.00742	27.9
300.01529	3.9
302.03674	4.1
305.43524	3.8
315.85471	4.3
420.07364	40.1
421.18710	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	420.276
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.25812	0.5
51.57511	0.3
53.31123	0.4
70.60391	1.4
93.03476	0.6
108.02193	0.5
121.02967	100.0
122.03326	3.7
127.87071	2.5
159.86021	5.0
178.35245	0.5
179.71259	0.4
185.92732	0.6
199.89194	0.4
220.14821	0.6
242.37233	0.4
302.27008	0.4
381.60925	0.4
388.68353	0.4
420.27579	44.8
421.27911	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	421.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77521	1.2
52.94416	1.3
57.03443	3.9
69.86494	1.4
71.14563	1.8
71.14893	2.4
78.95915	2.6
85.02953	21.8
87.00881	33.7
88.98814	2.1
96.96030	3.4
96.96971	2.4
103.78094	1.4
110.51643	1.3
111.00887	100.0
112.01243	3.5
125.02449	2.9
129.01978	4.5
130.99939	1.5
142.96652	9.1
160.97691	3.3
169.01428	2.1
173.00919	4.4
177.30193	1.6
184.97707	2.1
191.01987	95.3
192.02306	2.8
201.00757	2.0
211.02466	2.6
212.97212	4.5
226.34785	1.3
230.98222	4.7
254.98309	2.3
272.99265	2.3
316.98175	2.3
331.06686	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	421.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78875	1.1
60.99313	13.6
63.23421	1.0
69.46066	5.2
69.46468	2.4
88.98813	100.0
89.99141	1.3
92.46136	1.1
92.61051	1.0
96.35899	1.0
125.02454	5.1
128.84943	1.0
149.85249	1.1
157.42001	1.1
169.01440	13.5
169.17213	1.1
276.88370	1.3
331.06735	3.2
344.06320	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	421.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.8
60.99310	8.1
71.01389	6.3
83.19116	2.9
85.02970	3.8
88.98814	40.1
89.02467	6.6
101.02440	5.5
123.00880	11.3
125.02454	10.1
139.00385	3.6
151.00372	11.3
169.01450	31.1
184.12886	3.3
211.02458	8.3
271.04694	7.4
300.99902	10.5
331.06720	100.0
331.10663	4.9
332.07126	6.6
407.60812	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	421.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82767	1.2
59.94592	1.3
70.02965	2.9
71.27708	2.1
74.02486	2.2
83.01384	2.8
84.00996	1.4
92.05076	52.3
96.00926	3.4
98.02490	57.1
99.02821	1.5
110.02477	4.1
111.03272	8.2
112.04037	1.8
116.05088	10.9
118.06628	3.9
130.06645	25.6
131.05058	3.4
132.04570	1.8
132.23004	1.3
135.03329	6.1
136.04082	26.3
141.07092	1.7
142.06644	5.3
146.06120	6.6
147.04530	5.4
164.07111	2.3
173.07231	3.4
174.05620	36.1
176.03516	3.3
176.07190	2.7
184.07686	9.4
186.05626	1.6
192.00624	3.2
195.09303	2.0
197.10863	3.8
200.07195	3.3
202.08754	11.9
203.08235	8.4
204.64790	1.4
205.98607	1.7
213.99146	1.7
218.04594	28.0
220.06192	2.7
223.08827	7.2
229.03795	3.7
235.99725	3.3
241.09875	1.5
246.07655	2.6
280.07864	1.4
284.03329	14.9
285.02960	3.8
285.08835	12.4
287.16385	1.2
302.04340	2.8
328.02219	8.3
336.25891	1.5
359.07700	1.4
377.09207	6.9
421.08102	100.0
422.08344	11.2
422.13666	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	421.102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67794	0.7
56.80059	0.8
58.28116	0.7
59.01367	1.2
71.01387	0.8
92.05061	7.8
94.02956	0.8
96.00877	0.9
98.02487	23.3
98.22600	1.6
99.02798	0.8
106.04260	9.7
107.05070	4.0
108.02184	3.4
109.02979	1.0
110.02513	1.8
111.03251	2.2
112.04055	5.2
118.02946	1.1
119.05037	50.1
120.05375	2.4
124.01703	1.5
125.02464	0.9
130.06647	6.4
131.04964	0.8
132.04578	1.6
134.06102	0.9
136.04077	6.0
145.02885	0.8
146.06128	2.4
162.01959	2.4
162.17526	0.8
163.04022	4.0
165.01947	0.9
172.04137	1.0
173.07262	1.0
174.05609	9.1
176.03351	3.6
176.07155	2.0
180.06693	1.0
190.01157	0.9
190.05237	1.2
194.05862	1.3
198.01704	1.2
198.05423	0.9
200.03436	0.7
200.07187	2.2
202.04857	2.9
212.06935	2.0
213.05568	0.8
214.06413	1.7
214.08327	1.3
215.07124	4.5
218.04533	4.6
225.06540	1.8
225.64491	0.8
227.08119	1.7
240.04286	1.5
240.06424	16.6
241.06746	2.2
253.05862	2.2
258.05362	2.4
258.07678	1.0
271.07098	5.2
284.05411	5.6
297.04901	2.9
301.00003	0.9
301.95566	0.8
302.06601	0.8
307.25681	0.8
315.11224	1.6
319.66187	0.8
339.84723	0.8
359.09961	0.9
361.22583	0.9
374.79150	0.9
377.11203	7.8
378.11343	1.2
403.09573	1.1
421.10248	100.0
422.10446	13.3
448.63766	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	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38328	0.6
59.01394	1.3
60.27132	0.5
67.01910	0.5
68.99838	0.7
71.01417	0.5
81.03450	2.2
84.85336	0.5
93.03474	1.1
95.01393	3.4
96.96024	0.4
97.02962	0.9
101.02448	0.7
105.03455	1.0
107.01394	3.3
109.02954	1.2
111.00855	0.6
111.04550	0.7
121.02995	2.4
123.00878	2.7
124.01659	1.4
125.02449	7.5
133.02959	0.7
133.75125	0.5
137.02457	2.6
139.00433	0.5
141.01938	0.7
149.02431	1.6
149.99597	70.5
151.00400	11.3
161.02493	0.7
165.01936	2.1
169.01422	1.6
177.01949	0.8
179.03490	0.6
193.01405	1.9
193.84933	0.6
205.01312	0.6
313.05676	100.0
314.06049	7.1
421.10846	0.5
421.18719	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03430	0.5
59.01136	0.3
59.01388	3.2
61.98814	0.4
64.36092	0.2
65.00350	0.6
67.01885	1.3
69.03453	0.3
71.01389	5.2
72.99296	1.1
73.02957	2.5
79.01891	1.9
83.01402	1.6
85.02956	3.1
86.00117	0.3
87.00871	0.4
95.01390	3.2
97.02957	0.8
98.21742	0.7
99.00887	1.0
101.02452	4.5
102.45730	0.3
107.01395	4.9
110.00083	0.5
111.00881	4.0
113.02445	2.0
119.37725	0.3
123.00896	19.3
124.01743	1.7
125.02454	18.7
126.02811	0.4
127.00374	1.3
136.98827	1.6
139.00381	7.1
140.01192	4.4
140.02260	0.5
141.01953	2.6
151.00389	12.1
152.00635	0.4
153.01915	1.1
161.04581	0.4
163.04051	0.3
166.99893	0.3
168.00648	4.2
169.01437	22.0
170.01781	0.7
179.03590	0.3
181.05098	0.5
228.94283	0.5
229.00131	0.3
313.05740	1.5
353.53860	0.3
358.13016	0.3
421.11420	100.0
422.11768	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39067	0.6
57.03444	0.7
59.01396	3.9
67.01876	1.3
69.03452	1.2
71.01396	4.4
71.25079	0.7
72.99323	0.6
73.02946	1.2
79.01891	1.1
81.03405	0.6
83.01369	1.5
85.02949	1.9
89.02466	1.9
95.01398	1.5
98.21934	0.7
98.22482	0.7
98.46975	0.7
99.00887	1.0
101.02447	3.0
101.97501	0.7
106.92566	0.8
107.01409	7.0
110.00112	0.9
111.00900	4.8
113.02470	2.3
122.71965	0.6
123.00909	14.2
124.01729	3.8
125.02459	25.4
127.00391	1.8
136.05212	0.6
136.98817	3.0
137.02403	0.7
139.00372	7.4
140.01195	6.8
141.01949	1.8
147.04520	0.6
151.00386	10.0
154.99815	0.9
166.02728	1.7
168.00656	5.6
169.01439	24.5
170.01787	1.4
203.03633	0.7
215.07185	0.6
216.26144	0.6
217.01437	0.7
229.01411	1.5
259.02551	1.1
300.99921	1.6
313.05621	3.1
383.04196	0.7
421.11450	100.0
422.11917	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	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
59.01390	11.2
61.78387	1.1
64.67086	1.0
68.99841	1.5
69.47881	6.5
71.01385	15.3
73.02962	6.1
83.01383	4.1
85.02959	6.1
93.03468	41.9
95.01399	9.6
95.02597	1.0
96.99326	1.8
98.21766	1.8
99.00905	2.9
101.02448	10.4
108.02189	11.4
109.02963	8.8
111.00872	1.6
113.02468	8.4
119.05018	1.3
121.02976	3.5
123.00903	97.1
123.04543	2.9
124.01691	55.3
136.01683	6.7
137.02461	82.0
138.03273	32.4
139.04037	35.0
149.02478	1.2
151.00418	2.5
151.03963	2.1
152.01199	1.7
153.01965	2.8
167.03517	7.3
179.03546	1.8
181.05130	1.6
189.95007	1.2
191.03433	1.1
221.04599	1.8
281.06686	86.1
282.07062	5.7
297.06570	1.6
311.07767	7.1
421.11459	100.0
422.11823	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	421.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58644	1.0
55.04226	1.0
59.01387	1.8
67.01883	1.0
70.95943	1.0
71.01375	5.6
71.27072	1.3
71.27455	1.5
72.52242	0.9
73.02947	1.3
75.72462	1.0
85.02965	1.5
92.05078	1.6
95.01395	2.0
98.02484	3.9
101.02460	2.4
107.01392	6.4
107.05042	33.3
111.00877	1.6
113.02493	1.5
119.05038	9.1
123.00900	15.0
124.01704	1.4
125.02463	37.6
133.67897	1.0
136.98856	1.7
138.03233	2.4
139.00394	5.8
140.01166	4.1
141.01967	1.8
151.00354	9.5
155.03482	1.4
166.99837	2.9
167.03601	1.2
167.67223	1.0
168.00626	3.2
169.01442	44.5
170.01779	1.2
174.05515	1.4
177.02045	1.3
179.03534	1.1
182.02249	6.0
193.01489	2.2
197.04524	7.2
208.03767	1.6
223.06094	2.4
230.55200	1.0
240.06459	3.2
276.62335	1.0
301.00067	1.0
313.05637	13.3
313.08850	1.6
314.06094	1.0
327.28845	1.1
338.16885	1.0
352.79108	1.0
373.42398	1.1
421.11356	100.0
422.11749	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	421.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58644	1.0
55.04226	1.0
59.01387	1.8
67.01883	1.0
70.95943	1.0
71.01375	5.6
71.27072	1.3
71.27455	1.5
72.52242	0.9
73.02947	1.3
75.72462	1.0
85.02965	1.5
92.05078	1.6
95.01395	2.0
98.02484	3.9
101.02460	2.4
107.01392	6.4
107.05042	33.3
111.00877	1.6
113.02493	1.5
119.05038	9.1
123.00900	15.0
124.01704	1.4
125.02463	37.6
133.67897	1.0
136.98856	1.7
138.03233	2.4
139.00394	5.8
140.01166	4.1
141.01967	1.8
151.00354	9.5
155.03482	1.4
166.99837	2.9
167.03601	1.2
167.67223	1.0
168.00626	3.2
169.01442	44.5
170.01779	1.2
174.05515	1.4
177.02045	1.3
179.03534	1.1
182.02249	6.0
193.01489	2.2
197.04524	7.2
208.03767	1.6
223.06094	2.4
230.55200	1.0
240.06459	3.2
276.62335	1.0
301.00067	1.0
313.05637	13.3
313.08850	1.6
314.06094	1.0
327.28845	1.1
338.16885	1.0
352.79108	1.0
373.42398	1.1
421.11356	100.0
422.11749	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	421.1145
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02379	0.5
55.01869	2.9
57.03210	0.4
57.03459	2.7
58.00597	1.1
59.01386	18.1
61.98835	1.3
68.99825	0.5
69.03467	4.6
69.54388	0.4
71.01389	37.9
72.01715	0.7
72.99310	1.7
73.02955	19.2
75.00884	1.1
79.01904	1.5
81.03479	0.7
83.01395	8.6
85.02958	19.1
86.00095	1.0
87.00892	2.1
89.02455	9.6
95.01399	24.0
96.96077	0.5
97.02965	5.1
98.22154	2.5
99.00889	7.0
101.02451	34.2
102.02806	0.7
107.01402	20.2
108.01682	0.6
111.00894	1.7
113.02467	14.7
115.04047	1.2
117.65549	0.4
119.03520	1.8
121.02961	0.6
123.00902	10.3
124.01677	21.9
125.02467	26.7
126.02853	0.7
129.01942	1.2
131.03531	2.5
137.02498	0.7
143.03534	2.0
149.04614	1.3
149.99617	1.8
151.00388	69.1
151.99658	0.5
152.00626	2.6
159.02972	2.5
161.04570	13.6
161.05885	0.7
166.99823	0.7
169.01442	100.0
170.01782	4.2
191.05688	0.6
193.01431	1.3
193.53839	0.5
197.05978	0.5
205.03517	1.1
211.02602	0.9
215.07155	2.5
218.44853	0.5
223.02547	1.2
229.01277	0.5
233.06683	1.4
258.04996	1.2
259.06149	3.3
289.16586	46.4
290.16937	4.3
300.99832	0.9
313.05707	3.4
314.06265	0.5
333.15588	0.7
345.09180	1.0
421.11377	2.3
421.20810	38.3
422.21277	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	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03431	4.1
58.64668	2.3
59.01387	38.0
61.98821	2.4
66.60614	2.0
69.13100	2.1
69.74890	5.2
69.75301	8.1
71.01389	66.7
72.99309	3.6
73.02955	25.5
79.71204	2.2
83.01390	13.3
85.02966	31.0
85.64072	2.2
87.00889	3.7
89.02462	10.2
95.01414	6.1
97.02969	4.0
98.22109	5.5
99.00894	10.5
101.02454	58.2
107.01376	2.6
108.02228	2.8
111.00898	3.3
113.02470	22.5
118.63192	2.3
121.02969	7.5
123.00883	5.7
124.01654	3.0
125.02480	11.6
137.02458	5.0
139.00360	4.5
140.01166	22.8
151.00385	3.6
155.03535	26.1
159.02989	5.4
161.04581	33.2
168.00685	5.5
169.01457	16.4
190.06403	4.8
209.00974	4.1
259.06152	7.9
259.09564	5.4
275.01941	3.1
289.16599	100.0
290.16858	6.5
300.99939	3.8
315.07877	3.3
329.20981	2.6
345.09195	8.7
345.59039	6.3
374.62448	2.8
375.27774	2.8
421.10318	3.6
421.13690	3.3
421.19833	28.8
422.20682	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	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.1
57.03437	5.0
58.00578	1.5
59.01094	2.2
59.01384	38.5
66.73014	0.8
69.03443	2.2
69.17384	6.3
69.17793	2.1
71.01388	100.0
72.01735	1.9
72.99313	2.2
73.02952	40.0
75.00876	2.9
81.03484	1.8
83.01393	13.8
85.02959	42.8
87.00873	4.2
89.02459	23.7
93.03464	2.6
95.01404	7.2
97.02962	4.5
98.21762	1.7
99.00900	20.4
101.02449	65.0
102.02792	1.1
108.96974	1.0
109.02967	1.0
111.00899	1.4
113.02463	36.4
114.02801	1.3
115.04034	2.7
125.02454	9.2
127.11316	1.6
129.01968	1.5
131.03535	6.2
137.02472	3.8
143.03520	5.1
149.04541	3.1
159.03017	10.4
161.04565	47.0
162.04973	1.1
174.20847	0.9
191.05666	2.4
219.64789	1.0
228.41367	1.0
233.06674	10.9
251.30280	1.0
289.16605	67.5
290.16916	5.2
293.08762	2.9
300.85159	1.0
421.20825	83.8
422.21164	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	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03431	4.1
58.64668	2.3
59.01387	38.0
61.98821	2.4
66.60614	2.0
69.13100	2.1
69.74890	5.2
69.75301	8.1
71.01389	66.7
72.99309	3.6
73.02955	25.5
79.71204	2.2
83.01390	13.3
85.02966	31.0
85.64072	2.2
87.00889	3.7
89.02462	10.2
95.01414	6.1
97.02969	4.0
98.22109	5.5
99.00894	10.5
101.02454	58.2
107.01376	2.6
108.02228	2.8
111.00898	3.3
113.02470	22.5
118.63192	2.3
121.02969	7.5
123.00883	5.7
124.01654	3.0
125.02480	11.6
137.02458	5.0
139.00360	4.5
140.01166	22.8
151.00385	3.6
155.03535	26.1
159.02989	5.4
161.04581	33.2
168.00685	5.5
169.01457	16.4
190.06403	4.8
209.00974	4.1
259.06152	7.9
259.09564	5.4
275.01941	3.1
289.16599	100.0
290.16858	6.5
300.99939	3.8
315.07877	3.3
329.20981	2.6
345.09195	8.7
345.59039	6.3
374.62448	2.8
375.27774	2.8
421.10318	3.6
421.13690	3.3
421.19833	28.8
422.20682	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	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03431	4.1
58.64668	2.3
59.01387	38.0
61.98821	2.4
66.60614	2.0
69.13100	2.1
69.74890	5.2
69.75301	8.1
71.01389	66.7
72.99309	3.6
73.02955	25.5
79.71204	2.2
83.01390	13.3
85.02966	31.0
85.64072	2.2
87.00889	3.7
89.02462	10.2
95.01414	6.1
97.02969	4.0
98.22109	5.5
99.00894	10.5
101.02454	58.2
107.01376	2.6
108.02228	2.8
111.00898	3.3
113.02470	22.5
118.63192	2.3
121.02969	7.5
123.00883	5.7
124.01654	3.0
125.02480	11.6
137.02458	5.0
139.00360	4.5
140.01166	22.8
151.00385	3.6
155.03535	26.1
159.02989	5.4
161.04581	33.2
168.00685	5.5
169.01457	16.4
190.06403	4.8
209.00974	4.1
259.06152	7.9
259.09564	5.4
275.01941	3.1
289.16599	100.0
290.16858	6.5
300.99939	3.8
315.07877	3.3
329.20981	2.6
345.09195	8.7
345.59039	6.3
374.62448	2.8
375.27774	2.8
421.10318	3.6
421.13690	3.3
421.19833	28.8
422.20682	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	421.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03431	4.1
58.64668	2.3
59.01387	38.0
61.98821	2.4
66.60614	2.0
69.13100	2.1
69.74890	5.2
69.75301	8.1
71.01389	66.7
72.99309	3.6
73.02955	25.5
79.71204	2.2
83.01390	13.3
85.02966	31.0
85.64072	2.2
87.00889	3.7
89.02462	10.2
95.01414	6.1
97.02969	4.0
98.22109	5.5
99.00894	10.5
101.02454	58.2
107.01376	2.6
108.02228	2.8
111.00898	3.3
113.02470	22.5
118.63192	2.3
121.02969	7.5
123.00883	5.7
124.01654	3.0
125.02480	11.6
137.02458	5.0
139.00360	4.5
140.01166	22.8
151.00385	3.6
155.03535	26.1
159.02989	5.4
161.04581	33.2
168.00685	5.5
169.01457	16.4
190.06403	4.8
209.00974	4.1
259.06152	7.9
259.09564	5.4
275.01941	3.1
289.16599	100.0
290.16858	6.5
300.99939	3.8
315.07877	3.3
329.20981	2.6
345.09195	8.7
345.59039	6.3
374.62448	2.8
375.27774	2.8
421.10318	3.6
421.13690	3.3
421.19833	28.8
422.20682	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	422.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48981	0.5
54.15370	0.6
57.03458	5.2
63.02410	0.7
65.00332	1.3
80.81606	0.5
83.01416	2.7
93.03466	1.0
95.01405	0.9
98.11008	0.6
107.01416	2.7
109.02969	1.9
110.99096	0.7
121.02956	2.7
123.00845	0.7
123.04527	0.5
124.01655	0.9
125.02463	32.5
126.02774	0.7
128.03543	1.9
133.02921	0.6
135.04582	0.7
137.00659	0.7
137.02467	3.8
138.89296	0.5
138.98621	0.7
139.04050	0.7
143.04660	3.2
145.02971	0.7
147.00873	2.2
147.04546	0.7
147.63882	0.5
148.01691	0.7
149.02477	6.1
150.03154	1.0
150.43118	0.6
151.00400	9.7
151.03975	0.8
152.01183	2.9
152.29790	0.7
153.00194	6.5
153.01938	3.6
155.01717	1.4
159.04523	1.1
162.42485	0.5
163.00420	0.8
165.00168	1.2
165.02063	0.6
165.05511	0.8
169.01459	2.2
171.04526	0.7
173.02475	1.9
175.00354	8.5
175.04004	1.6
176.01154	4.5
177.01917	2.0
178.99878	10.8
179.01440	0.4
180.99699	8.8
181.01306	0.9
182.00307	0.6
183.01219	6.3
185.06013	0.7
187.04033	2.4
190.98062	0.8
191.03506	0.7
197.02487	1.2
199.03860	0.9
201.05493	0.8
207.01219	4.7
208.99153	100.0
209.99492	5.1
211.03986	1.0
213.05647	0.6
215.03493	1.6
217.04938	0.7
227.03558	0.7
229.05099	1.1
231.01178	5.6
232.01598	0.7
239.03529	1.6
241.04945	1.0
243.02884	1.4
249.02321	3.1
254.07785	1.0
255.00899	1.1
255.03043	2.3
257.04672	1.3
258.05243	0.7
272.08987	1.4
273.02313	4.6
283.02524	6.0
284.03195	2.3
285.04056	6.9
291.03342	3.6
296.02359	7.0
299.00177	1.0
301.03662	1.3
305.55798	0.6
306.07748	4.3
307.02963	1.0
317.01260	14.0
318.01569	0.7
335.02356	6.6
342.04535	1.2
404.04492	6.3
405.05334	1.1
422.05435	6.6
423.07153	3.4
423.18307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91790	0.9
59.23241	1.0
69.20815	7.9
70.02973	0.9
72.00916	5.3
74.02480	11.2
82.02966	1.0
84.00918	6.1
92.05069	98.8
93.05407	3.2
98.02486	100.0
98.21760	1.7
99.02834	1.4
111.03293	2.8
111.76307	0.9
112.04060	17.0
116.05074	53.8
117.05413	1.1
128.05072	1.8
130.06636	44.7
131.03799	0.9
131.05022	3.2
131.07059	2.2
136.04057	56.9
137.04393	2.4
142.06636	22.4
144.04578	3.5
146.06145	4.8
156.03065	7.0
159.09291	6.1
161.04846	1.5
173.07228	4.4
174.05614	61.0
175.05930	3.3
180.08272	1.2
186.05559	7.9
195.09270	9.4
197.10847	16.7
203.08282	52.6
204.08565	2.6
218.04594	82.2
219.04996	5.5
222.08035	1.1
223.08772	34.9
224.09065	1.5
230.68512	0.9
241.09831	13.3
285.08826	51.9
286.09232	5.1
360.13525	3.8
378.14722	1.1
382.02789	1.1
404.12418	1.8
422.13608	61.9
423.13898	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	422.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.13186	19.9
72.00841	2.2
92.05066	11.3
98.02482	11.3
99.36337	2.1
116.05072	6.8
130.06644	4.0
136.04062	6.5
169.01457	2.3
174.05609	11.8
197.10861	2.7
203.08305	7.6
218.04620	10.6
219.76247	2.0
223.08781	3.0
247.30496	2.2
285.08893	6.5
422.13504	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	423.022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66896	1.1
52.68968	1.1
55.00383	1.3
59.01388	2.8
65.68533	1.1
66.22009	1.1
71.01385	6.1
71.26664	2.2
72.99348	1.6
73.02934	1.7
79.01907	1.6
79.95763	4.0
85.02969	5.0
87.00880	8.9
88.98819	1.7
93.03474	2.8
95.01414	5.5
96.96018	91.8
99.39577	1.4
101.02461	3.5
107.01411	8.3
108.02196	6.2
109.02969	17.7
111.00922	3.5
113.02522	2.4
119.05036	11.2
123.00887	16.6
124.01712	2.7
125.02458	47.8
135.04565	2.7
136.98767	2.1
137.02440	2.4
139.00447	5.5
140.01180	6.2
141.01962	2.9
151.00403	10.9
153.02075	1.7
159.14627	1.3
161.02495	1.7
163.04001	6.9
168.00679	7.6
169.01442	58.8
170.01886	1.3
173.02533	1.3
173.06123	2.3
175.04070	1.7
179.03683	1.3
181.05122	2.3
185.07542	1.3
191.03613	3.4
199.00807	3.7
201.05641	1.9
202.02864	1.3
215.00293	3.0
227.03496	2.0
242.99608	1.3
245.04739	1.8
247.02437	15.4
247.04610	1.3
255.02849	1.7
258.01746	7.0
261.00259	1.7
273.04044	21.9
274.04578	1.3
296.54193	1.2
313.05692	9.5
317.02991	8.2
319.01254	1.2
325.05600	6.8
363.00528	1.5
379.03177	6.7
419.25949	1.4
423.09601	100.0
424.09903	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	423.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13648	1.0
52.16893	0.8
54.18548	1.1
58.86954	0.9
59.01387	5.7
62.22862	1.0
64.23967	0.9
69.03445	2.8
70.73796	0.8
71.01362	2.5
77.80280	0.8
79.01891	1.8
81.03452	1.8
83.01384	1.8
85.02965	3.0
95.01394	3.9
96.96027	17.5
97.02969	3.3
99.00941	1.2
107.01410	6.5
108.02177	1.5
109.02967	2.9
113.02390	1.7
123.00917	8.2
124.01692	6.3
125.02459	49.5
135.04608	1.0
136.98854	0.9
137.02438	2.0
139.00403	1.2
145.03004	1.4
149.99596	11.0
151.00389	19.0
161.02483	1.9
163.00421	1.6
163.04015	1.9
165.05704	1.0
167.03392	1.3
168.00648	30.3
169.01437	100.0
170.01785	3.1
175.03973	1.0
177.05696	1.1
189.01997	1.7
191.03464	1.9
193.01463	1.3
217.01500	2.5
229.01506	1.3
235.02431	1.3
245.00865	1.1
247.02495	3.7
253.00134	4.6
261.00293	1.9
273.00461	1.1
275.01953	1.8
283.04590	1.3
300.99939	2.9
303.01428	1.0
313.05679	11.6
314.05695	1.1
325.05603	2.8
343.06711	72.6
344.07077	6.5
348.03143	0.9
379.52524	1.1
423.09531	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	423.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26856	0.6
50.72151	0.8
59.01390	1.5
67.01886	1.7
71.01378	4.1
72.99327	0.6
73.02940	1.5
74.01936	0.7
74.33481	0.6
79.01898	1.2
80.11813	0.7
83.01382	1.5
83.80534	0.6
85.02962	4.0
95.01411	3.0
98.22555	2.4
99.00888	1.2
101.02459	2.5
107.01410	6.9
108.02185	5.4
109.02967	14.6
111.00881	2.9
113.02502	2.0
115.92073	2.4
123.00905	14.8
124.01702	2.0
125.02466	33.9
125.34037	0.6
126.02799	1.3
127.00339	1.3
129.02013	1.5
134.79950	0.6
136.98790	0.9
137.02455	1.2
139.00404	6.2
140.01161	3.7
141.01939	2.2
149.02383	0.7
151.00404	8.5
151.04030	0.9
163.00368	1.0
163.04024	1.0
168.00664	3.6
169.01453	42.0
170.01796	1.6
179.03574	0.7
201.01971	0.8
211.02580	0.9
219.31412	0.7
220.97533	0.7
235.02484	0.8
247.02521	1.9
273.00348	1.0
275.02039	1.1
297.06067	1.1
313.05682	9.2
314.06027	1.0
361.05841	1.3
362.06625	0.8
423.09393	100.0
424.09674	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	423.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
65.00320	0.7
69.03444	1.6
71.01381	5.7
72.99301	0.9
73.02950	1.6
73.39997	0.7
79.01886	1.7
79.51659	0.6
79.59966	0.6
81.03453	1.2
83.01392	1.9
85.02961	3.3
87.00901	1.3
95.01413	3.5
97.02974	1.6
99.00899	1.1
101.02459	3.0
107.01417	8.8
108.02180	6.4
109.02973	11.1
111.00877	3.0
113.02422	3.4
115.03982	0.7
121.06563	0.7
123.00883	17.1
123.04406	0.6
124.01725	1.7
125.02456	38.7
126.02788	1.1
126.64031	0.8
127.00364	1.7
136.98802	1.7
137.02457	1.4
139.00383	5.9
140.01201	4.9
141.01945	2.4
149.02455	1.2
151.00389	12.4
153.01953	1.2
161.02414	1.0
161.04579	0.8
166.99841	0.7
168.00653	5.6
169.01439	52.2
170.01749	1.4
173.02425	1.0
179.03560	1.0
189.01949	1.1
191.03517	2.2
211.02492	1.4
217.01390	1.1
219.03058	1.0
228.71454	1.0
247.02510	3.2
300.99884	1.4
313.05692	25.9
314.06015	2.2
335.07693	0.7
343.06845	1.1
423.09381	100.0
424.09695	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	423.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54562	0.5
51.85256	0.5
52.47320	0.5
59.01373	0.9
63.45643	0.5
68.97549	3.6
68.97978	2.2
69.03474	1.2
71.01385	4.3
72.25127	0.5
73.02945	0.9
79.01913	1.2
81.03450	0.7
83.01368	0.6
85.02962	3.0
87.00907	0.6
95.01387	3.5
101.02446	2.3
107.01398	5.9
108.02192	5.6
109.02971	13.7
111.00887	2.0
113.02453	1.4
123.00902	11.6
124.01692	1.2
125.02460	28.2
126.02805	1.0
127.00345	1.1
129.29018	0.5
136.18205	0.5
136.98813	1.7
139.00403	5.7
140.01146	3.4
141.01930	1.9
144.19391	0.5
151.00394	9.7
151.03966	0.9
168.00635	3.6
169.01440	38.5
170.01794	1.2
170.65793	0.7
191.44121	0.6
211.02525	1.2
249.64729	0.6
252.68059	0.6
253.03566	0.7
260.09845	0.5
297.06180	1.1
313.05679	9.0
423.09372	100.0
424.09634	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	423.0937
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
57.03449	0.6
59.01377	2.1
63.45670	0.6
67.01902	0.7
69.03455	1.1
69.44583	3.0
71.01391	5.8
72.65020	0.4
72.99310	1.0
73.02954	1.1
79.01905	1.6
83.01388	1.8
85.02960	4.6
87.00864	1.5
87.33889	0.5
88.98819	1.4
89.02470	0.8
95.01399	3.1
97.02950	1.1
98.09521	0.4
101.02461	2.8
107.01407	7.7
108.02207	6.7
109.02962	16.5
110.03329	0.7
111.00902	2.9
113.02485	2.5
119.05029	0.7
121.01261	0.4
123.00905	14.0
124.01740	0.5
125.02463	36.0
126.02847	1.1
127.00397	1.4
131.08229	1.6
133.27110	0.5
136.98814	1.6
139.00388	5.4
140.01190	3.7
141.01967	2.3
151.00394	10.7
153.01978	1.0
163.04056	1.0
167.03403	0.6
168.00635	3.6
169.01445	46.7
170.01790	1.4
179.03474	0.7
211.02434	1.1
215.79221	0.4
241.03676	0.7
255.03011	0.7
297.06177	0.9
303.47528	0.5
313.05667	12.0
314.06186	0.8
341.10919	0.7
423.09387	100.0
424.09671	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	423.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15472	0.8
57.02095	0.8
57.19648	0.8
61.98828	0.8
62.13061	0.7
69.01995	7.6
69.02412	1.8
71.01364	1.1
80.21658	0.8
85.02934	1.2
88.98829	1.9
93.03475	5.6
101.02444	1.0
108.02234	0.9
109.02974	1.9
111.00928	1.6
117.03483	6.2
119.05040	15.3
121.02959	2.7
123.04556	1.1
127.32652	0.8
130.08751	1.6
133.02975	6.3
134.03752	46.1
135.04568	14.0
137.02472	5.1
138.10385	0.9
139.03951	2.1
143.05025	9.2
145.02968	20.8
147.04445	1.3
148.05334	1.6
149.02493	1.0
149.06090	27.2
155.04985	1.1
156.05821	4.9
157.06592	11.6
158.03731	8.4
159.04393	1.7
159.08188	5.9
160.01695	3.4
161.02470	17.8
161.06079	14.4
162.03207	4.1
163.04044	1.9
169.06596	0.9
171.04529	2.6
172.05321	2.2
173.02473	3.3
173.06097	6.3
174.01898	1.5
174.03255	12.2
175.04019	9.2
185.02467	1.1
185.06090	14.9
187.04016	12.7
194.02263	4.6
197.06137	0.9
198.06883	3.5
199.04002	12.9
199.07663	1.4
200.04762	3.4
201.05579	3.1
202.06319	2.8
203.07135	1.1
212.04718	0.9
215.07141	3.4
217.05110	2.0
219.24179	0.9
225.05605	1.4
227.07242	2.4
229.05046	5.1
233.08214	2.2
240.07983	2.4
251.07213	2.8
252.07750	1.1
255.06725	1.2
267.10260	11.1
268.10620	1.6
277.08786	1.3
278.09564	0.9
293.11722	1.0
302.09424	1.2
305.08258	1.9
319.09735	2.3
320.10623	4.7
335.12915	100.0
336.13239	11.1
337.10828	20.1
338.11234	2.6
379.11880	23.1
380.12222	2.8
423.10992	8.0
424.11285	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	423.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76697	1.0
65.00334	1.9
88.13593	1.3
93.03474	4.2
98.21758	2.9
108.02219	2.1
109.02949	2.0
111.00892	7.3
117.03501	6.0
119.05043	39.8
120.05360	1.4
121.02984	2.1
132.02214	1.9
133.02971	4.9
134.03755	59.8
135.00899	2.0
135.04579	13.7
137.02477	5.4
143.05019	9.4
145.02963	26.6
148.05383	2.4
149.06097	33.6
155.05110	1.6
156.05794	6.3
156.93117	1.2
157.06625	12.4
158.03760	16.0
159.04483	2.2
159.08147	8.0
160.01677	8.5
161.02461	18.9
161.06122	14.7
162.03191	4.7
163.03973	1.8
169.06569	1.4
171.04527	2.1
172.05299	2.5
173.02461	4.1
173.06100	10.4
174.03212	12.3
175.04013	15.2
176.04648	1.6
183.04532	1.4
185.02498	1.1
185.06078	12.8
187.04028	14.4
191.07231	2.6
194.02237	4.1
197.06175	1.8
198.06905	3.1
199.04013	13.6
199.07793	1.7
200.04845	5.7
201.05534	1.9
203.07159	11.8
215.07281	8.1
217.05121	2.5
225.05501	5.8
226.06447	3.0
227.07167	2.7
228.69614	1.4
229.05046	6.1
233.08215	2.7
240.07883	1.8
241.08739	3.6
251.07184	4.6
252.07796	2.3
255.06635	2.3
259.06116	18.0
260.06415	1.4
267.10263	16.5
277.08890	2.4
285.07675	14.4
286.07953	1.8
319.09729	2.1
320.10574	4.8
329.06769	2.9
335.12912	100.0
336.13251	10.2
337.10849	23.2
338.11176	2.7
379.11896	19.2
380.12274	4.5
420.36371	1.2
423.11020	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.5
57.03456	5.2
58.00600	1.1
59.01382	28.8
62.65068	0.5
69.03463	1.8
69.11942	3.0
69.12347	0.7
71.01389	66.7
72.01714	0.8
72.99306	3.8
73.02952	23.9
75.00874	0.8
78.95921	1.0
81.03458	0.6
83.01397	12.9
84.33279	0.6
85.02959	30.1
86.00117	1.7
86.03320	0.5
87.00883	2.6
89.02455	9.8
91.30945	0.4
95.01389	4.7
97.02962	2.2
99.00891	13.8
101.02452	56.2
102.05174	0.5
111.00913	2.1
113.02465	23.8
114.51685	0.5
119.03528	0.9
119.05037	0.6
125.02431	3.2
127.11272	0.7
129.01935	1.2
131.03503	1.2
134.03754	0.8
143.03502	3.1
145.02992	0.6
149.04593	1.0
159.03000	5.3
161.04575	28.6
162.04897	1.2
205.03529	1.8
213.18863	0.4
233.06660	1.2
291.18158	100.0
292.18512	8.0
335.12891	1.2
335.17267	1.4
423.22433	21.7
424.22775	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	424.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29517	0.4
54.31514	0.5
59.01380	1.1
61.42159	0.5
69.03426	0.6
69.12994	4.7
69.88941	0.5
71.01389	4.1
72.01737	0.7
72.99300	0.6
73.02950	0.8
74.80948	0.5
79.01901	1.1
83.01391	0.6
85.02959	2.7
87.44203	0.5
89.51263	0.5
95.01386	2.0
96.01717	0.6
96.99245	0.6
97.02979	1.0
99.00894	0.5
101.02444	1.6
102.02782	0.7
103.32901	0.5
107.01399	4.7
108.02264	4.5
109.03024	10.0
110.03297	5.3
111.00897	1.5
112.01257	0.6
113.02440	1.2
119.90308	0.5
123.00891	9.0
124.01181	3.8
125.02466	24.3
126.02802	9.4
127.00360	1.1
136.98764	1.0
137.99197	0.8
139.00388	3.7
140.01062	1.9
141.01793	1.1
151.00371	6.1
152.00739	2.9
153.01898	0.6
163.03972	0.7
167.64305	0.5
168.00670	3.1
169.01442	27.4
170.01779	15.2
171.01958	1.2
193.01468	0.8
228.01463	0.5
247.02582	0.7
298.06537	0.8
301.00052	1.1
313.05609	2.3
314.06119	5.1
315.06131	0.8
380.26797	0.5
424.09708	100.0
425.09915	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	425.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30478	0.8
59.01364	1.8
60.82417	1.0
62.09580	0.7
68.99817	1.3
69.03450	1.3
69.83024	0.8
71.01385	7.2
72.99319	1.0
79.01904	1.4
83.01387	1.5
85.02966	2.1
95.01376	1.9
97.02949	1.2
98.22549	1.8
101.02431	2.0
107.01398	10.0
109.02939	1.8
111.00897	6.9
113.02444	1.8
123.00909	10.7
123.04546	1.2
124.01704	1.8
125.02463	73.1
126.02768	2.5
127.00348	1.1
136.98848	1.0
137.02426	1.4
139.00349	3.7
140.01141	2.4
151.00397	7.0
151.03984	2.7
153.01967	1.1
168.00627	2.6
169.01445	100.0
170.01857	4.8
175.03967	1.8
187.04005	1.1
211.02388	1.1
223.02361	1.6
225.63429	0.9
241.03450	4.4
251.17079	1.1
255.02956	2.3
264.24463	0.8
313.05698	36.2
314.05914	4.1
324.38629	0.8
397.07593	1.2
407.07770	5.7
425.07217	90.1
426.07440	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	425.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84000	1.0
55.62233	1.1
57.03447	3.2
68.32053	1.0
71.27551	1.2
78.95911	2.4
81.03443	2.7
83.01402	3.2
89.02502	1.0
93.03476	1.2
95.05031	1.6
97.02960	3.5
105.91689	1.0
108.02177	2.3
109.02966	80.1
110.03313	1.8
121.02971	2.2
123.04533	9.5
125.02469	23.0
126.02779	1.1
134.54364	1.2
137.02451	13.8
139.04024	2.7
145.02945	4.3
147.24007	1.1
149.02461	2.9
151.04041	6.7
153.01955	100.0
154.02312	5.1
157.25159	1.0
159.04533	1.6
161.02463	1.4
161.06073	4.5
162.03241	1.1
163.03926	1.2
165.01927	4.9
175.04048	1.8
175.07674	1.1
177.12714	1.0
179.03513	4.0
185.06096	2.5
186.71925	1.1
187.04041	3.7
188.04765	2.5
200.54987	0.9
202.06235	1.4
203.03690	1.0
203.07155	9.3
205.05077	4.5
221.08141	2.4
224.76848	1.0
227.07181	1.5
245.08176	13.1
247.06122	1.4
253.05115	1.7
271.06076	6.8
289.07208	63.4
290.07654	5.9
314.03549	1.3
425.08499	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	425.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.6
69.35128	83.0
85.69777	11.1
101.08752	12.1
108.19598	10.7
113.08888	11.4
195.08612	12.1
219.13983	58.2
263.12851	100.0
434.08405	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27108	3.8
62.54049	2.9
68.49156	3.1
69.03453	3.6
69.46864	14.4
70.65004	3.1
75.15166	2.9
96.95992	7.3
97.02973	4.8
98.21786	3.2
103.88187	3.3
107.05035	5.2
109.02959	20.8
123.00961	3.7
123.04541	14.5
125.02477	27.2
137.02451	10.3
139.03891	3.7
149.02516	7.3
151.04042	23.6
159.04491	5.6
161.02473	8.9
163.03940	7.2
169.01433	14.0
169.42282	3.5
175.04031	23.2
177.01947	13.5
187.04010	13.0
193.05089	3.7
194.59172	3.5
227.03430	4.0
228.04288	5.5
229.04999	8.4
241.00273	7.8
243.02921	8.6
252.03273	3.4
255.02979	25.3
256.03647	8.8
257.04443	7.9
273.04095	10.6
277.45239	3.7
281.04688	6.8
313.05820	4.9
339.08771	14.4
350.68820	3.2
381.09521	4.9
407.07761	100.0
408.07983	16.0
425.08688	19.8
444.87527	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	425.1819
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
59.01378	11.8
60.59152	0.6
66.29525	0.6
66.76430	0.7
71.01389	6.6
72.99294	1.4
73.02951	17.5
85.02960	1.7
89.02459	5.9
98.22549	1.7
101.02443	3.0
102.83878	0.6
106.08443	0.7
113.02455	3.3
119.03506	2.1
159.11804	1.7
173.09697	2.1
179.05594	0.9
183.11816	6.0
189.09238	21.5
190.09595	1.5
201.12866	13.9
219.13924	21.8
220.14330	1.7
245.11842	10.8
246.12115	0.8
263.12897	100.0
264.13196	8.7
305.14032	1.7
425.18198	8.9
426.18582	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	426.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
55.15674	1.2
58.00588	3.4
58.38554	1.2
59.01384	68.3
69.03465	6.9
69.35675	2.7
69.36089	7.4
71.01388	93.4
72.01709	2.0
72.99310	5.5
73.02953	16.2
75.00874	2.9
77.11871	1.2
81.03462	5.9
83.01382	4.1
85.02958	15.7
85.45744	1.2
87.00882	2.7
89.02454	100.0
93.16836	1.3
94.16454	1.3
95.01403	4.1
97.02969	13.9
99.00879	26.3
99.04541	2.3
101.02454	25.7
107.01373	1.4
113.02464	17.1
115.04006	8.4
119.03544	3.3
123.00906	1.4
125.02462	48.7
126.02834	1.8
127.04088	1.3
131.03595	18.3
135.04565	1.6
137.02521	2.3
143.03487	4.4
149.04572	17.5
161.04590	20.7
169.01451	3.4
175.03990	3.1
188.05624	2.7
191.03693	1.7
191.05620	10.5
199.73901	1.5
230.85141	1.3
231.02774	1.4
233.06685	38.8
293.08838	53.5
294.09195	3.0
309.86121	1.9
310.65497	1.3
320.36368	1.6
426.14191	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	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61784	0.5
59.01380	6.6
62.95140	0.4
64.69225	0.4
69.03380	3.3
69.03771	1.7
71.01392	2.4
81.03459	0.7
83.05051	0.9
89.02441	2.8
93.03443	0.6
95.01418	0.8
97.02957	2.1
101.02460	0.9
109.02973	0.6
111.43221	0.4
113.02468	1.0
119.03522	0.6
123.00895	2.0
124.01677	4.7
125.02454	71.4
126.02795	1.9
139.00372	0.5
140.12460	0.5
166.99892	0.6
168.00648	9.0
168.02023	0.8
169.01434	100.0
170.01805	4.4
179.05750	0.6
187.11288	1.2
211.02698	0.5
256.41840	0.6
257.75479	0.5
257.78342	0.5
313.05573	1.7
331.06717	22.6
332.07175	1.4
427.12463	34.5
428.12866	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	427.1508
Annotation	octacene
Peak:m/z	Relative Intensity
69.23099	1.8
69.23518	4.8
92.05066	87.7
93.05403	2.5
98.02499	5.6
109.01700	0.8
111.03267	0.7
130.06581	0.8
131.03731	1.5
133.05347	1.4
136.04051	100.0
137.04462	3.8
146.06140	2.4
146.07251	0.7
150.05655	1.0
163.59468	0.8
173.07237	1.6
173.08495	5.4
174.05553	1.6
176.03502	1.2
199.06412	1.6
214.08684	3.6
216.06723	1.0
218.04622	0.8
232.09830	0.8
258.07718	3.9
276.08844	1.0
290.10400	4.4
307.14493	1.0
351.13629	8.0
395.12460	3.2
427.15112	27.4
428.15408	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	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76962	1.2
59.01385	100.0
60.01711	1.1
68.96634	5.4
68.97054	8.7
71.01376	4.3
75.53242	1.4
84.43691	1.4
85.02999	1.4
89.02455	2.5
101.02434	2.5
113.02443	2.1
114.07737	1.2
121.02959	2.5
135.04576	2.9
148.05341	7.3
163.07669	10.7
169.01439	1.4
189.01755	1.4
247.02400	1.9
265.14603	1.7
309.64493	1.4
345.22861	1.6
356.07672	1.8
427.19885	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	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.00571	2.4
58.03769	1.9
59.01383	83.1
69.03461	1.9
71.01386	43.6
71.26435	2.1
72.01619	1.4
72.99306	4.4
73.02956	20.1
74.58776	1.2
81.03459	2.6
81.93475	1.2
83.01392	8.0
85.02953	13.9
87.00870	1.9
89.02449	25.2
93.07552	1.3
95.01431	3.5
96.95998	2.6
99.00918	2.1
99.04531	69.4
100.04861	3.2
101.02453	53.2
111.04517	2.4
113.02470	18.3
113.06083	2.9
115.92016	1.6
119.03508	9.3
123.04539	10.0
125.02456	27.0
131.03484	1.7
141.05576	4.3
143.03502	4.1
149.04584	3.2
153.05600	2.0
161.04582	5.3
169.01494	3.9
179.05643	3.9
203.14415	4.2
227.07187	1.9
232.06792	1.5
247.13470	4.5
265.14407	6.5
275.01886	1.6
320.39969	1.4
341.95566	1.4
427.19794	49.4
428.20270	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	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70305	3.6
59.01385	100.0
59.15121	3.1
69.55338	4.2
71.01382	9.2
73.02972	3.9
78.95930	16.5
95.31560	3.5
101.54936	3.5
109.00818	3.2
111.00865	4.8
115.62604	3.1
123.00842	4.6
125.02470	7.0
137.02473	3.8
148.05315	6.3
151.00380	8.3
152.99661	21.5
163.07654	10.5
169.01472	16.3
221.15483	20.0
228.86896	3.4
265.14508	22.4
281.11523	4.2
291.41562	3.6
427.15991	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01868	2.0
57.03448	2.1
58.00575	0.7
59.01391	12.4
66.16939	0.6
71.01387	18.2
71.05016	2.4
71.27472	0.8
72.99313	1.2
73.02953	6.1
83.01398	3.7
83.05027	2.1
85.02961	9.9
86.00182	0.6
87.00880	1.6
89.02447	2.2
95.01411	1.6
96.98935	0.7
97.06579	1.2
99.00894	1.5
101.02453	12.4
105.43624	0.5
109.06615	0.6
113.02470	6.0
119.03493	1.1
120.49574	0.6
121.03068	0.6
121.06614	0.6
123.08141	0.5
125.02425	1.1
137.09724	1.6
161.04576	1.5
161.09802	0.6
163.11311	2.1
163.93297	0.6
175.11246	0.6
185.09735	0.8
187.11322	0.7
203.14444	2.2
219.13927	7.1
221.15509	9.5
247.13432	4.1
265.14465	39.8
266.14731	3.7
409.18610	2.5
427.19751	100.0
428.20062	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	427.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76180	1.6
58.00585	1.6
59.01387	100.0
69.28703	11.1
71.01389	29.9
74.97364	1.5
81.63072	1.5
85.02966	5.1
87.02557	1.4
89.02453	44.4
95.01390	2.5
101.02451	13.4
109.03034	2.1
111.08163	3.2
113.02460	11.7
119.03532	14.3
140.37062	1.4
143.03537	4.2
161.04500	2.1
173.08165	4.4
179.05635	12.4
187.11307	21.9
380.54291	1.6
427.16122	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47561	2.0
58.04609	2.2
59.01375	11.7
61.98825	12.5
69.06326	23.4
71.01391	10.3
73.02957	3.5
73.87260	2.3
75.78716	2.1
83.05048	3.3
85.02927	3.2
89.02461	5.4
95.05049	3.4
99.92595	24.7
101.02425	2.7
113.02484	8.0
115.92089	27.7
116.92104	4.2
116.92873	37.9
121.02993	2.6
121.06596	4.2
123.04562	2.4
123.08185	8.1
125.02449	4.5
135.80901	2.8
151.07700	7.0
155.10864	4.6
169.01480	4.1
203.14433	11.7
221.15483	87.7
222.15810	6.6
247.13361	3.7
265.14465	100.0
266.14761	9.0
289.14545	3.9
293.04828	6.2
307.15457	4.7
315.01492	2.2
322.05167	4.5
349.81824	2.3
373.11221	5.0
391.12152	7.1
405.10132	3.3
427.14236	3.5
427.19522	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	427.1976
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.76151	1.6
53.18211	1.5
59.01392	8.3
69.03471	19.0
71.01383	3.7
72.05416	2.1
73.02950	3.5
95.54960	1.6
97.02981	3.0
101.02480	1.9
113.02485	5.4
123.04561	2.1
123.08191	2.4
133.06644	2.1
135.11995	1.9
149.56129	1.6
151.07660	7.1
155.10760	1.9
169.01396	1.9
175.15005	1.8
185.36688	1.7
203.14430	6.1
221.15468	97.3
222.15848	7.9
263.16464	1.7
265.14459	100.0
266.14822	7.7
279.77466	1.9
289.14493	2.1
362.32431	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03434	3.6
58.00581	3.0
59.01384	92.9
69.17976	0.9
69.18301	9.2
71.01388	64.8
72.01714	1.1
72.99305	3.8
73.02954	2.2
81.03448	2.0
81.44038	0.9
83.01379	3.5
83.05034	100.0
84.05360	2.7
85.02951	9.3
87.00864	2.4
89.02453	80.2
93.03487	1.7
94.29996	0.9
95.01416	5.6
101.02451	34.8
108.02164	1.7
109.03000	2.1
113.02454	25.8
119.03517	29.2
123.04556	3.8
124.99412	1.1
125.02461	2.6
131.03484	3.0
137.02457	4.8
143.03499	5.1
143.08607	1.8
149.04547	1.7
161.04568	5.0
169.10292	2.5
179.05609	11.5
183.32339	1.1
185.13301	1.8
187.11298	6.8
189.09232	3.9
203.14427	13.4
205.12500	1.2
247.13367	7.5
265.14395	1.4
281.06644	2.0
391.10428	5.7
427.13824	1.5
427.19778	14.1
428.19727	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	427.1979
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
50.53656	1.1
55.01879	5.1
57.03453	20.4
58.00592	2.5
59.01386	44.9
68.61112	1.1
68.98573	1.6
68.98966	12.0
69.03419	1.2
71.01389	39.7
72.99316	2.9
73.02947	11.6
83.01391	7.0
83.04998	1.5
85.02961	16.8
86.00102	1.4
87.00887	1.2
87.09512	1.1
89.02453	16.5
95.01392	2.5
95.36465	1.2
98.22168	6.2
99.00887	4.1
99.04529	17.8
101.02454	33.0
112.01682	2.8
113.02466	16.0
119.03496	7.2
123.04534	2.4
125.02470	9.9
129.01894	1.4
131.03516	1.4
143.03468	1.4
161.04567	6.3
169.01405	2.9
179.05637	2.9
179.98488	1.3
203.14366	3.2
225.68423	1.2
237.83003	1.4
265.14386	3.0
307.79825	1.3
313.19165	1.2
339.10617	1.3
365.19272	1.3
427.19785	100.0
428.20157	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	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	3.8
59.01090	5.9
59.01385	100.0
59.42432	2.7
60.39648	2.8
69.38448	9.0
69.38871	11.6
71.01388	74.4
72.99300	4.9
73.02975	14.7
83.01389	9.8
85.02960	26.5
87.00892	4.1
89.02457	37.8
95.01409	6.5
98.21776	5.7
99.00903	13.6
101.02454	49.7
107.01432	3.1
113.02474	36.3
119.03544	14.0
119.12368	3.0
125.02463	10.2
131.03566	3.8
135.04633	3.0
143.03571	7.5
161.04623	20.6
169.01398	11.8
179.05521	4.6
181.12358	13.6
205.12436	5.7
223.17047	3.5
267.16086	8.5
297.84927	2.7
300.99933	5.9
313.05600	11.7
325.20117	2.6
369.15085	5.2
385.18213	5.5
385.22427	11.5
428.20288	23.8
429.04279	4.6
429.21353	64.1
433.63931	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	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95664	13.8
56.36696	12.9
59.01389	100.0
69.82224	15.3
71.01392	75.3
83.05029	42.5
83.16511	14.1
89.02441	92.0
91.68700	16.8
97.52361	16.1
101.02480	39.6
106.37931	14.2
113.02445	26.0
116.90181	14.0
119.03516	23.6
125.02462	43.0
135.04546	64.0
135.11945	15.0
163.66638	15.5
164.47124	17.3
169.01477	45.9
202.47887	14.8
276.02695	14.3
300.99890	27.6
391.71570	15.1
393.17700	25.3
429.15494	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	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23664	15.3
59.01397	89.2
64.47026	14.7
71.01394	92.3
71.26324	22.3
72.11940	16.0
87.48563	17.3
89.02461	100.0
101.02455	33.0
113.02485	51.6
119.03531	51.4
163.00357	19.5
179.05583	48.9
266.88281	17.9
307.43512	15.7
429.23010	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77841	9.3
53.97839	8.8
55.40414	10.3
59.01385	51.9
69.21622	81.9
71.01398	67.7
74.88785	10.0
76.93744	9.0
85.02971	12.2
89.02477	21.5
93.03471	9.9
101.02481	31.0
113.02457	33.0
119.03522	12.2
122.03745	17.3
137.02464	26.9
138.06865	12.2
143.03502	10.5
151.07709	17.9
152.08485	20.6
153.09247	93.7
161.04594	52.4
179.03464	12.3
179.05612	12.0
205.12433	29.3
223.13550	56.6
223.15337	9.7
239.05745	16.1
243.73491	11.3
246.86737	11.1
267.16104	33.5
385.18652	100.0
429.14084	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71807	1.9
57.03437	2.8
59.01371	8.9
64.85450	2.0
68.96677	18.5
68.97092	4.3
71.01409	12.8
71.01731	2.9
73.02944	2.6
73.49608	2.1
75.00868	2.5
85.02954	7.7
89.02469	7.5
99.00909	3.0
101.02460	9.1
113.02473	9.0
121.02965	7.6
122.03761	57.6
122.18151	2.2
125.02489	11.4
138.06856	2.5
140.25562	1.8
149.06133	3.8
151.07660	4.7
152.08458	5.3
152.54478	1.9
153.09239	16.7
161.04591	8.7
169.01433	6.8
177.01941	2.6
179.10776	3.9
187.21806	2.4
189.65422	2.0
191.10812	6.2
205.12331	7.3
223.13441	9.0
249.06212	7.4
266.15457	2.7
267.16037	100.0
350.88101	2.2
371.09885	6.9
385.18777	10.2
429.05557	2.9
429.13980	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	429.046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.9
71.01405	1.7
71.26752	0.7
71.27142	1.1
79.95755	1.8
89.02453	2.2
96.96021	100.0
101.02483	1.3
107.01373	0.9
113.33330	0.7
123.00925	3.7
124.01764	0.7
125.02466	5.3
139.00317	1.1
151.00365	4.2
152.96608	0.8
163.14914	0.7
164.11102	0.9
169.01445	13.2
211.02487	3.5
265.42072	0.9
271.04657	2.2
290.49774	0.9
331.06732	31.2
332.07123	1.8
370.40207	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	429.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	14.7
60.99317	17.6
69.36738	100.0
71.01382	21.0
78.95908	30.7
85.02872	14.7
88.98824	78.7
95.91791	16.0
96.96972	37.8
125.02428	19.8
133.01036	13.8
145.89767	15.5
153.01924	57.0
168.04289	31.4
169.01404	13.5
175.02531	21.0
221.04576	17.5
331.10535	27.1
429.10260	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1042
Annotation	Bispyribac
Peak:m/z	Relative Intensity
55.01883	2.0
57.03445	1.2
59.01393	8.0
61.19129	0.9
67.01872	1.2
69.03452	1.4
71.01028	1.4
71.01385	15.7
71.32668	1.1
71.33008	1.7
72.99300	1.8
73.02941	4.1
74.86209	0.9
75.00856	1.0
79.01890	2.4
83.01392	3.7
85.02953	9.0
85.80830	0.9
87.00883	2.3
89.02463	2.1
93.25552	0.9
95.01404	3.8
96.96030	1.4
97.02958	1.6
97.19585	0.8
99.00895	2.7
101.02456	9.0
106.00549	0.9
107.01389	8.4
111.00907	6.5
113.02464	7.2
115.04044	5.6
123.00893	25.7
124.01630	1.2
125.02466	42.3
127.00368	1.7
134.03752	1.4
136.98819	3.1
137.02438	1.2
139.00360	9.5
140.01189	7.7
141.01941	3.5
151.00391	16.8
153.01904	1.2
161.04568	3.1
168.00642	8.5
169.01439	45.0
170.01697	1.2
177.04085	2.6
193.05084	2.9
203.00023	1.1
211.02460	7.7
233.10423	1.4
253.03641	1.2
271.04599	18.3
272.04898	1.5
277.09256	8.5
297.06131	1.7
313.05670	6.3
385.11444	44.8
386.11813	4.2
409.27426	0.9
411.09363	10.4
412.09512	1.7
429.10419	100.0
430.10861	10.0
440.05307	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03455	0.5
59.01381	3.0
65.00309	0.3
67.01878	0.9
68.99808	0.5
69.03440	0.5
70.42513	1.0
71.01387	3.0
72.99303	1.2
73.02946	1.0
78.83170	0.4
79.01889	1.1
83.01417	1.4
85.02956	2.4
86.00105	0.3
87.00880	0.4
95.01397	2.2
96.01727	0.3
97.02958	0.7
97.54039	0.3
99.00893	0.4
101.02470	3.1
107.01402	4.0
111.00883	3.2
113.02431	0.5
121.02855	0.4
123.00893	17.9
124.01652	1.3
125.02454	15.5
126.02826	0.8
127.00375	0.9
136.98807	1.7
139.00378	6.8
140.01184	5.0
141.01947	2.5
145.02986	0.7
151.00388	13.4
153.01944	1.1
154.99904	0.4
163.03918	0.5
168.00653	4.7
169.01439	18.1
170.01709	0.5
174.52478	0.3
181.05122	0.5
192.00343	0.3
211.02557	0.3
242.47929	0.3
279.75540	0.3
309.13669	0.4
313.05716	1.0
429.17661	100.0
430.17960	10.4
453.80096	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	429.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98468	1.8
57.03445	4.6
57.52327	1.8
57.92936	1.8
59.00031	2.1
59.01385	100.0
60.01699	2.2
62.78564	1.9
69.48715	12.0
71.01389	17.4
83.01402	2.5
84.16740	1.9
85.02917	4.8
85.16527	1.9
87.00893	8.9
87.83978	1.9
89.02448	16.2
92.38282	1.9
97.06624	3.2
101.02464	8.4
107.05039	8.7
113.02453	9.2
115.44074	2.1
119.03503	6.0
120.05840	3.6
135.04552	2.8
141.11926	2.0
159.08138	1.9
161.09726	18.1
161.13358	8.2
179.05562	2.4
187.11288	22.5
188.11670	2.4
189.09204	7.9
204.87560	2.5
205.12314	5.4
207.10277	3.6
213.05820	1.9
223.13420	87.0
224.13785	6.9
249.11368	6.7
265.14441	2.4
267.12387	73.0
268.12692	5.2
271.24551	2.1
309.13605	2.6
429.17734	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	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22090	1.2
57.03444	4.8
59.01381	100.0
60.64074	1.2
61.43354	1.4
64.47377	1.2
69.07212	10.8
71.01385	15.3
73.02950	3.8
78.95898	1.6
83.01394	4.4
83.05040	1.6
83.59532	1.2
85.02961	3.7
87.00879	4.7
89.02448	11.5
93.03458	4.5
97.06537	1.3
101.02446	6.7
106.82778	1.4
107.05019	2.8
113.02451	6.4
119.03520	4.4
120.05834	1.5
137.02454	13.3
143.03548	1.2
152.99611	2.4
161.04541	1.7
161.09724	4.5
161.13359	4.4
163.11281	2.1
179.05597	2.1
187.11275	6.0
189.09254	2.7
203.10794	2.2
205.12334	3.6
207.10242	4.5
223.13402	62.4
224.13731	4.7
229.12315	2.9
249.11244	4.3
267.12378	46.7
268.12772	4.7
273.64108	1.5
308.16443	1.4
309.13403	1.9
429.17606	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	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07093	0.2
69.89566	0.8
89.54030	0.2
99.92588	4.3
100.92719	0.3
100.93368	2.8
115.92086	100.0
116.92094	4.7
116.92878	6.2
117.92514	0.3
120.34643	0.2
132.92346	1.1
142.94420	0.2
155.95332	0.3
168.98509	0.2
172.95468	3.9
190.35715	0.2
213.61787	0.2
219.69431	0.2
255.23326	1.1
355.15860	0.5
381.17490	0.6
429.19510	2.5
430.19958	0.4
444.04480	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	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08857	0.9
57.03446	1.0
59.01387	100.0
62.08045	0.9
64.36933	0.8
69.27838	3.6
69.28266	2.4
71.01033	1.3
71.01390	20.3
72.99333	1.6
73.02952	1.5
83.01390	0.9
85.02962	4.0
87.00897	1.5
89.02457	23.5
98.21856	1.8
99.04518	1.8
101.02457	9.2
113.02461	7.3
119.03513	9.2
125.02481	4.0
131.03471	1.5
143.03621	1.4
149.04503	1.1
161.04584	1.9
162.57057	0.9
169.01422	3.2
179.05644	2.9
249.14868	0.8
267.16074	2.3
349.75150	0.8
429.21179	9.5
435.32300	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32716	0.6
53.96742	0.6
56.95538	0.6
57.03466	0.9
58.00589	0.7
59.01385	100.0
60.01722	1.2
65.01875	0.8
67.23904	0.6
69.03484	1.0
69.27254	4.9
71.01389	13.4
72.67767	0.6
72.99336	1.3
73.02958	0.9
83.01383	1.5
85.02951	3.2
87.00902	1.5
89.02452	15.7
95.01440	0.9
98.21801	1.5
101.02457	7.3
102.31455	0.7
113.02467	6.8
113.22591	0.6
119.03510	6.6
125.02480	1.7
131.03558	1.1
137.09775	2.3
143.03551	1.0
149.04729	0.7
161.04607	1.8
161.13443	0.8
162.78607	0.6
168.00835	0.7
169.01456	0.8
179.05659	4.0
183.03079	1.3
187.11263	0.9
223.13348	5.8
245.73383	0.6
267.12527	6.5
267.16031	1.7
268.13068	1.0
289.07327	1.2
373.76181	0.8
429.21503	6.8
430.21857	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	429.2134
Annotation	Celerioside A
Peak:m/z	Relative Intensity
54.85878	0.5
57.03453	1.3
57.74209	0.5
59.01367	2.1
62.51629	0.6
69.08146	4.3
71.01376	2.2
83.01373	0.6
85.02960	2.4
87.04523	0.8
89.02457	1.1
101.02435	1.9
107.01411	0.7
108.02158	0.7
109.03003	0.6
111.00875	0.8
113.02470	1.3
119.03493	0.6
121.02971	1.2
122.03753	54.8
123.00903	1.1
123.04047	1.3
124.05286	1.5
125.02451	5.0
125.06036	0.7
136.05286	0.9
139.00345	0.6
149.06116	4.1
151.07690	2.9
153.09180	2.4
163.04080	0.6
169.01421	1.9
178.09956	1.0
179.10831	2.6
191.10765	6.1
193.08762	0.6
231.13939	0.7
249.14944	2.1
251.12968	1.0
252.13661	1.1
265.14557	2.6
266.15149	1.3
267.16022	100.0
268.16321	7.8
292.33966	0.7
308.03345	0.6
327.93414	0.6
371.09930	0.9
385.02365	0.6
429.14020	4.7
429.21240	1.9
430.14203	0.5
446.11240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Dendroside F
Peak:m/z	Relative Intensity
51.47593	1.2
54.66162	1.1
55.01875	2.3
57.03438	2.8
58.00597	2.7
59.01384	82.9
60.91083	0.9
64.70948	1.0
66.93227	1.1
69.03431	1.0
69.57500	1.1
71.01389	50.6
72.99309	3.8
73.02932	1.4
75.75249	1.1
78.24389	1.1
83.01392	3.8
83.05021	1.0
85.02958	13.2
87.00871	1.6
89.02454	46.3
90.02782	1.4
95.01387	3.8
99.00938	2.0
101.02452	32.7
113.02457	24.1
119.02686	1.4
119.03514	22.6
123.09060	1.1
125.02417	2.6
131.03513	1.9
135.02740	1.0
143.03523	3.2
149.02493	1.2
161.04601	1.9
169.01418	1.8
179.05606	2.9
198.73965	1.1
240.39532	1.3
249.14961	13.1
267.16034	2.0
271.04706	1.5
426.30890	1.1
429.21317	100.0
430.21771	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88442	0.5
59.01385	100.0
59.35187	0.5
60.01712	0.9
60.83139	0.4
67.20949	0.5
69.27636	2.4
69.28051	1.4
71.01380	5.2
73.02966	0.9
85.02975	1.0
89.02453	5.2
101.02448	2.8
113.02480	2.2
119.03535	1.9
125.02459	0.5
159.79692	0.5
161.04596	0.7
162.02390	0.7
169.01491	1.2
179.05684	1.6
220.09668	0.4
267.12451	0.9
270.31125	0.5
429.21646	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61323	0.6
55.01882	1.5
57.03446	1.0
57.98545	0.5
58.00579	0.6
59.01386	17.6
71.01387	14.3
71.05028	0.8
72.99324	0.9
73.02959	4.0
83.01395	2.6
85.02957	6.2
85.06576	0.8
87.00894	0.6
87.76796	0.5
89.02458	5.5
90.18536	0.6
95.01399	0.8
98.21710	0.9
99.00897	2.4
101.02462	7.8
113.02473	4.4
119.03542	1.2
167.14407	5.5
173.14066	0.6
205.16005	1.1
216.48543	0.6
223.17004	0.9
231.13908	1.3
249.14955	5.7
257.96011	0.5
267.16052	7.3
290.02966	0.6
321.17087	1.6
374.01758	0.6
411.20282	2.3
429.21326	100.0
430.21664	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	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31487	0.5
55.01873	2.4
57.03443	2.1
58.00592	1.1
59.01385	29.3
60.01777	0.5
66.37946	0.5
69.03465	0.5
70.88859	1.4
71.01387	27.0
72.99303	2.0
73.02947	5.8
75.00893	1.1
83.01373	3.8
85.02959	8.9
85.06592	1.2
87.00890	2.0
87.04536	0.8
89.02452	13.6
91.19975	0.6
95.01406	2.2
98.02430	0.7
99.00880	2.7
101.02449	16.0
102.02850	0.6
102.30555	0.6
109.02953	0.6
113.02453	9.9
119.03509	5.5
123.00906	1.0
125.02452	3.1
131.03551	0.9
137.73662	0.6
143.03503	0.6
153.01884	1.4
160.82463	0.6
161.04552	2.1
167.14386	2.8
169.01416	2.3
179.05704	0.9
189.09326	0.6
205.16055	0.9
223.13406	1.5
223.17038	0.9
229.01393	0.8
231.13924	0.9
249.14961	3.7
255.03078	0.8
267.12369	2.0
267.16031	8.4
268.16324	0.7
283.02490	1.1
284.18735	0.6
313.05630	1.2
408.73431	0.8
411.20392	1.7
429.21307	100.0
430.21680	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	430.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77697	1.0
57.03451	1.0
58.60220	1.0
59.01385	3.0
60.71210	1.0
62.65127	0.9
63.60995	0.9
69.27529	1.1
71.01379	2.3
84.04554	18.3
101.02428	1.3
107.01424	2.0
120.01263	3.5
123.00890	1.4
125.02423	5.2
125.31435	1.0
127.88697	1.2
130.87431	0.9
136.09006	0.9
139.72256	0.9
162.02325	100.0
163.02655	3.7
169.01468	7.6
175.03996	1.3
177.01839	1.4
203.03455	1.2
206.38562	1.2
231.02841	1.0
245.00891	1.2
247.02480	1.7
275.01968	2.6
301.00027	2.2
346.51117	1.0
355.03854	1.0
391.85773	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	430.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66799	1.8
55.01857	2.5
59.01385	44.1
69.19813	22.0
71.01384	29.8
73.02961	7.8
83.01384	4.7
84.00930	4.0
85.02952	13.0
87.04522	3.1
89.02449	15.3
90.78953	2.3
91.70724	2.6
98.22556	4.8
98.25770	2.1
99.00898	3.1
101.01855	3.8
101.02438	20.5
113.02477	12.4
133.02980	5.7
142.51027	2.8
161.02470	14.6
161.04607	4.3
180.06715	5.5
183.10449	2.9
225.11305	16.1
227.03552	5.7
255.02954	10.8
284.03241	10.1
285.04047	12.2
288.57010	2.6
431.13876	3.7
431.22922	100.0
446.36389	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	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11979	9.0
59.01370	41.0
65.58199	8.8
68.95733	87.2
68.96137	22.3
71.01403	52.6
73.02950	18.8
85.02983	25.0
89.02440	32.8
98.21809	20.4
101.02457	44.1
113.02473	20.4
117.15871	9.5
119.03441	18.5
125.02428	20.0
153.09247	47.8
161.04588	60.1
162.80414	10.3
169.01451	28.3
177.01923	11.1
189.67130	9.8
203.03627	11.0
225.14957	100.0
226.15289	10.5
244.20433	10.0
247.02400	16.7
258.98737	11.0
275.02115	13.3
299.42932	10.4
343.64130	10.5
387.20502	45.4
430.20673	15.7
431.18924	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	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17814	12.5
59.01374	42.1
62.25946	12.0
71.01385	32.0
82.15611	12.4
89.02441	33.6
89.61730	12.0
97.53213	12.1
101.02502	15.0
107.50842	12.3
113.02419	18.8
119.03478	28.2
125.02476	64.6
140.62938	12.6
169.01434	95.7
170.28162	13.7
202.22232	13.4
211.02548	42.5
219.50595	12.7
271.04507	63.2
279.10825	26.9
286.84512	13.9
313.05609	21.3
431.11777	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85627	11.1
55.80150	12.8
59.01383	100.0
62.45330	11.6
69.17933	95.6
71.01383	19.2
73.02984	11.4
73.04738	12.9
80.92069	11.9
89.02475	19.0
98.22527	27.6
101.02420	26.0
102.50661	13.1
111.39494	11.2
113.02493	12.4
157.55621	12.4
160.42928	12.6
227.03539	22.0
233.58792	13.5
249.41405	12.4
255.03006	24.8
267.38458	12.9
284.03220	23.5
285.04108	48.8
345.19553	19.9
347.28055	11.4
389.00183	13.4
431.09976	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	14.4
66.56039	4.7
67.45500	4.9
71.01367	6.3
71.08149	7.2
71.08496	8.3
78.10622	5.2
79.86139	4.9
84.57089	4.9
89.02419	8.3
121.44472	5.6
123.00923	6.3
125.02479	43.0
128.34135	5.8
139.00372	5.2
162.19835	6.0
165.01865	5.2
168.00656	15.2
168.39836	5.3
169.01436	57.6
203.03593	5.3
206.65134	5.6
211.02487	66.2
271.04630	85.9
279.10880	7.6
431.11880	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	431.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
59.01386	19.8
65.00322	2.1
67.01887	2.6
68.99841	1.1
69.03455	1.0
70.47879	1.5
70.48233	1.6
71.01036	1.0
71.01390	12.7
72.09375	0.7
72.99301	2.3
73.02937	1.7
76.53264	0.7
79.01890	0.8
83.01392	3.0
85.02948	3.2
85.67602	0.7
87.00918	1.1
89.02468	6.4
93.03479	1.3
94.90575	0.7
95.01382	3.8
98.21854	1.1
99.00908	1.6
101.02438	5.5
107.01406	12.0
108.02235	0.9
109.02957	3.0
110.00110	2.5
111.00895	14.4
113.02448	3.7
119.03520	3.2
123.00887	8.7
124.01669	6.0
125.02457	27.9
126.02835	1.1
127.00388	5.0
136.98824	11.4
137.02423	1.0
139.00398	15.9
140.01181	23.8
141.01740	0.9
145.02934	1.0
151.00406	4.9
154.99886	1.6
161.02483	0.9
161.04541	2.4
163.00404	1.1
166.99896	6.8
167.66786	0.7
168.00658	100.0
169.01440	28.7
170.01768	1.3
179.05582	1.1
199.04086	0.9
203.03491	1.3
217.05110	4.7
231.03113	1.1
242.99269	0.8
253.84564	0.7
256.59827	0.8
261.04068	16.3
262.04361	0.8
279.05127	7.9
371.17273	1.1
393.04617	0.9
431.00720	1.3
431.06268	17.9
431.22748	2.3
432.06604	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	431.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86404	1.7
57.60542	1.5
59.01395	2.1
60.99314	13.2
70.53989	5.0
71.01402	2.2
74.02476	2.1
88.98814	100.0
97.06583	1.8
125.02464	2.7
133.02974	7.2
135.04558	2.2
141.05551	2.5
161.02466	20.5
169.01460	2.3
179.03476	4.5
185.05890	1.7
229.01228	2.0
271.04657	2.3
281.11594	1.8
300.99902	4.9
332.07904	2.1
341.08762	12.1
355.27979	2.2
431.11838	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	431.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.2
62.79216	0.3
63.02399	0.6
64.36681	0.3
65.00326	0.4
70.03938	1.3
80.71690	0.3
83.01395	0.8
89.07436	0.3
93.03467	1.2
98.16254	0.3
98.21998	0.6
101.02450	0.9
107.01390	2.2
109.02921	0.4
113.02416	0.3
117.03440	0.4
125.02414	0.5
128.03545	0.7
128.19864	0.4
132.02184	1.1
135.00946	1.8
137.02470	0.4
143.05040	1.3
145.03050	0.4
151.00372	1.1
153.01987	0.4
157.06555	0.7
159.04524	1.2
161.04579	0.4
163.00394	2.8
164.01038	0.5
167.05019	0.4
169.06668	0.8
171.04556	0.6
173.06042	0.4
183.04568	2.4
184.05266	0.4
185.02414	0.4
185.06136	2.5
187.04048	2.6
189.05583	0.9
195.04605	0.9
197.06116	0.7
199.04048	1.2
200.04796	0.4
201.05574	0.6
211.04054	3.5
212.04678	0.5
213.05608	1.5
214.02722	0.5
215.03534	0.5
223.04097	0.4
227.03517	55.4
228.03915	4.6
229.05074	11.3
230.05374	0.7
239.03560	1.3
240.04277	1.1
241.05051	1.2
255.03006	76.3
256.03519	8.6
257.04578	5.4
269.14008	0.5
284.03296	64.9
285.04056	100.0
286.04410	8.1
371.20688	0.7
431.09854	50.6
431.22360	1.0
432.10229	5.4
432.18726	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	431.0987
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01369	1.6
65.00316	1.0
65.88781	0.3
67.01902	0.3
69.24948	0.9
69.25361	1.9
70.82053	0.3
71.01369	1.3
74.99857	0.3
75.51996	0.3
77.03971	0.9
79.01899	2.5
80.34888	0.3
83.01377	0.5
89.02448	0.8
91.01885	0.3
93.03458	1.2
95.01379	0.8
95.05018	0.4
97.02934	0.4
98.22551	0.6
101.02446	0.7
105.03492	0.5
107.01385	0.7
109.02959	0.8
117.03490	3.7
119.03507	0.5
119.05016	2.6
121.02948	3.4
123.04544	0.5
125.02456	1.4
131.05040	0.6
133.02963	1.8
135.00891	0.9
135.04529	0.6
137.02461	0.8
149.02386	0.6
151.00388	1.7
151.04004	0.5
159.04489	0.7
161.02451	1.5
163.00374	2.5
165.01952	3.9
168.05998	0.4
169.01399	0.5
169.06596	0.4
175.00325	0.5
177.01953	1.3
180.05917	0.4
181.06654	1.0
183.04559	0.5
183.08176	2.4
185.06119	0.6
189.01932	0.8
193.01447	0.7
193.06482	0.4
195.08116	0.6
196.05273	0.8
197.06102	1.2
199.03978	0.4
201.05598	1.3
208.05275	0.5
209.06013	0.6
210.06819	0.6
211.04021	0.5
211.07619	1.9
223.07693	0.5
224.04710	0.8
225.05573	1.6
227.03436	0.6
231.96358	0.4
237.05530	1.0
238.06386	0.4
239.07153	2.7
240.04346	0.4
240.07347	0.5
249.05801	0.4
251.07092	1.1
253.05070	1.1
265.05099	0.6
267.06699	0.9
268.03775	1.3
269.04575	13.2
269.07474	0.7
270.04886	1.2
270.27383	0.4
279.06702	0.8
281.02231	0.4
281.04575	15.6
282.05267	3.8
283.06131	25.0
284.06473	1.9
293.04608	1.2
295.06122	9.7
296.06519	0.8
308.03409	0.9
309.04147	0.8
311.05630	100.0
312.05978	10.0
314.04401	1.1
323.05594	7.6
324.05957	0.5
325.07086	1.0
341.06680	35.1
342.06876	3.3
353.06641	1.8
355.01215	0.4
371.07574	0.5
377.06448	0.5
383.07516	0.4
413.08783	3.7
426.16522	0.4
431.09900	6.0
431.15546	0.6
431.22754	0.4
432.10010	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	431.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12663	0.6
60.99309	14.4
70.94662	0.7
73.08652	0.7
75.00466	0.8
84.07789	0.7
88.98811	100.0
89.23946	0.8
89.99137	1.0
120.41321	0.8
191.05573	1.1
194.54115	0.8
220.97177	0.7
237.79942	0.7
246.98601	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	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77732	0.8
54.93520	0.9
60.99311	12.6
61.98835	1.0
69.91213	1.8
69.91623	2.9
82.79250	0.9
84.85710	0.9
87.00898	1.8
88.98816	100.0
105.77086	0.9
223.16905	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	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	14.1
70.40841	3.1
86.19120	1.1
88.98814	100.0
107.36902	1.2
173.67082	1.2
249.92921	1.2
325.13501	1.2
437.58975	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	431.1194
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
57.03433	1.5
58.00575	0.6
59.01385	29.4
66.58402	0.6
67.01878	0.8
71.01389	12.9
71.89527	0.6
72.99303	1.8
73.02955	0.9
75.72092	0.5
79.01862	0.6
83.01386	1.4
85.02964	2.9
89.02455	15.3
95.01390	2.5
97.02966	1.0
98.21719	1.4
99.00873	0.8
99.04501	0.9
101.02451	12.0
105.70165	0.7
107.01416	4.2
108.12746	0.6
109.02958	1.6
111.00900	1.4
113.02448	6.3
117.05569	2.5
119.03519	6.7
123.00890	9.6
123.04526	2.2
124.01704	1.3
125.02460	32.0
127.88823	0.5
133.56763	0.7
136.98769	1.7
137.02425	1.5
138.01987	8.2
139.00385	5.4
140.01163	3.1
141.11362	0.7
143.03535	0.5
151.00383	7.0
151.04018	3.3
151.45357	0.6
161.02448	2.0
165.01846	1.0
167.03473	1.1
167.64648	0.7
168.00648	6.2
169.01434	27.9
170.01779	1.0
175.03979	0.8
191.65143	0.6
198.55170	0.7
203.03342	0.6
211.02484	26.7
212.02892	0.7
243.03030	1.3
271.04620	37.7
272.04984	2.0
279.10849	14.0
280.11258	0.8
289.07150	2.1
313.05600	1.0
331.06708	2.1
413.10825	3.6
431.11954	100.0
432.12332	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	431.1195
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
56.10702	0.5
58.00573	0.9
59.01089	1.0
59.01383	17.5
61.52119	0.5
71.01386	10.6
71.05035	4.9
72.99316	0.7
73.02943	1.6
83.01403	1.1
85.02940	2.6
85.70716	0.7
87.00861	1.1
89.02451	10.5
93.03470	3.2
95.01373	1.7
97.02895	0.5
99.04514	1.9
100.86718	0.6
101.02451	9.1
101.06070	1.3
107.01389	4.9
111.00883	1.3
113.02444	5.2
113.06113	0.9
117.05589	43.7
117.93946	0.7
119.03531	4.1
123.00898	3.5
124.01692	0.8
125.02462	21.0
126.02799	0.9
136.98802	0.8
137.02455	7.5
139.00340	1.9
140.01163	1.6
141.01913	0.7
151.00386	2.0
159.06630	2.2
161.02605	0.6
163.00339	0.6
167.03470	0.8
168.00648	5.1
169.01439	26.3
170.01796	0.9
179.05437	0.6
183.03049	0.9
193.16020	0.6
203.03416	0.6
211.02496	16.9
212.02776	1.3
225.04176	0.8
263.64410	0.6
271.04614	19.0
272.04901	1.5
275.01944	0.7
279.10867	50.4
280.11276	3.0
285.06296	0.8
300.99771	0.7
313.05710	3.0
371.10056	0.9
413.10864	1.6
431.11926	100.0
432.12314	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	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.4
60.45137	0.8
69.18223	7.9
71.01384	7.9
72.99298	1.6
83.01401	1.2
85.02954	1.5
88.22423	0.8
89.02452	6.8
97.02985	1.6
99.04561	0.9
101.02464	4.9
107.01406	5.6
111.00871	3.7
112.96566	0.9
113.02441	4.2
119.03502	4.2
123.00890	4.3
123.04503	1.0
124.01699	3.8
125.02460	43.4
127.00324	1.4
136.98840	1.7
137.02483	1.6
139.00389	4.1
139.03972	1.0
140.01205	5.2
143.03496	1.6
151.00417	2.5
151.04028	2.3
155.03543	1.0
156.09457	0.9
161.02478	1.1
161.04581	1.0
165.01938	1.9
167.03522	2.1
168.00671	20.0
169.01443	57.4
170.01791	2.8
175.03998	1.0
179.05559	1.4
211.02501	86.1
212.02844	4.2
241.03560	2.6
269.04578	1.1
271.04626	100.0
272.05029	5.4
279.10971	5.6
280.24945	1.0
313.05707	1.3
331.06757	4.9
431.11966	97.5
432.12274	9.6
446.23911	1.0
459.47049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57227	2.1
56.16085	1.9
57.03453	21.3
59.01384	58.9
65.64915	2.4
69.03455	3.6
70.46944	5.2
70.47308	4.4
71.01373	14.9
73.02940	5.0
80.67551	2.7
81.03478	4.7
83.01392	12.4
85.02962	6.3
89.02457	7.4
93.03481	5.9
95.05035	9.9
97.02954	6.0
97.06601	27.2
101.02457	16.1
109.02971	28.6
109.06604	5.6
111.00889	3.2
113.02486	5.4
115.07671	6.0
121.02986	3.7
123.04527	15.5
125.02457	100.0
126.02837	2.8
135.04581	4.3
137.02461	92.9
138.02873	3.2
143.04643	2.4
145.03006	22.1
149.02455	13.2
151.04050	16.9
157.08774	3.1
159.04610	11.9
159.06657	30.5
161.02490	5.9
161.04860	3.8
161.06111	17.6
162.06390	2.3
165.01872	4.2
165.12862	7.3
171.55768	2.4
175.03928	4.2
179.03465	4.3
183.04559	3.8
185.06088	9.3
187.03993	8.6
188.04694	3.4
189.12883	3.1
195.10333	3.8
201.05499	4.2
203.07112	22.6
205.05037	8.0
207.13907	28.7
209.11870	9.4
221.08197	2.9
225.14983	4.1
227.03493	5.1
227.07130	7.1
229.05244	2.7
245.08153	20.6
251.12889	7.7
253.05080	17.4
255.03041	7.8
256.03510	3.3
269.13965	94.7
270.14243	8.2
271.06140	44.0
281.10269	15.1
284.03323	5.0
285.03998	10.6
289.07217	85.7
290.07535	7.5
293.10522	5.9
299.01947	5.1
303.12625	4.1
341.15750	4.6
369.13422	7.3
387.14532	32.9
388.15100	3.0
431.13370	7.0
431.22897	9.0
432.23724	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	431.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17913	1.3
57.03440	2.6
59.01385	100.0
62.66249	1.2
71.01396	9.8
71.10896	1.2
73.02959	4.2
83.01415	1.5
85.02969	4.2
87.00883	1.5
89.02428	1.7
99.04548	1.3
101.02426	7.4
107.01440	1.3
109.02967	1.8
113.02461	4.0
117.05598	1.6
119.03500	1.6
123.00888	3.3
123.04475	1.7
125.02459	25.2
127.18103	1.1
135.24052	1.2
137.02457	2.2
139.00323	1.8
151.00420	1.4
151.04015	3.9
161.02446	4.7
161.04584	3.9
168.00653	1.5
169.01427	23.0
176.04834	2.0
179.03514	5.1
191.07150	1.2
194.05869	7.3
209.08229	18.7
211.02434	2.6
229.32700	1.3
243.03081	1.7
269.10220	4.5
271.04575	3.5
279.10834	1.2
289.07248	4.9
331.06769	1.6
384.61029	1.3
389.01645	1.2
431.11713	26.8
432.12399	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	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01382	40.4
69.79555	4.2
71.01395	4.4
73.02945	1.8
83.01395	2.7
85.02948	1.7
87.00902	1.0
89.02453	2.3
98.22402	1.9
99.04547	2.8
101.02459	2.6
105.23170	1.0
109.06628	1.6
113.02465	2.8
125.02521	1.2
125.85316	0.9
148.01749	1.2
155.00395	0.8
161.04593	1.3
165.12866	8.1
189.12825	1.8
206.89410	1.0
207.13933	13.8
209.11853	9.1
225.14954	2.8
227.03584	5.3
231.13866	1.0
251.12917	6.5
255.03014	8.0
269.13950	100.0
270.14368	5.2
284.03302	7.2
285.04007	8.2
286.04181	1.6
311.14987	1.3
431.09814	4.3
431.19138	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	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
59.01386	54.6
62.26367	0.8
69.40115	5.6
71.01395	5.3
85.02965	2.0
89.02463	2.5
95.05054	1.2
99.04538	3.0
101.02442	2.8
102.39893	1.1
109.06607	2.9
112.00735	0.9
113.02429	1.5
121.06641	1.6
130.46143	1.0
135.00876	2.1
151.84024	0.9
158.71458	0.8
159.04576	1.1
163.00317	1.3
163.07649	0.9
165.12898	6.9
185.06133	1.6
187.04031	1.8
189.12914	2.3
190.34213	0.9
191.10861	2.0
199.04036	1.2
207.13918	31.3
208.14223	3.1
209.11845	10.5
211.04004	2.2
213.05490	1.1
225.11653	1.0
225.14980	3.9
227.03519	32.4
228.03859	2.8
229.05042	7.1
233.11920	1.4
251.12904	9.4
255.03012	47.0
256.03665	5.9
257.04611	4.7
267.02954	1.0
269.13965	100.0
270.14349	8.8
284.03296	44.1
285.04056	67.2
286.04437	3.9
293.13992	3.3
311.15070	8.2
333.26334	1.0
341.16061	3.1
371.17108	17.4
372.17389	1.5
415.64023	1.1
431.09906	33.4
431.18643	5.1
432.10089	5.0
456.40515	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	431.2208
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
61.98828	0.8
70.38018	1.9
78.95913	58.9
94.96083	0.5
96.96974	6.2
110.41843	0.5
116.33282	0.7
150.98055	1.4
151.20438	0.6
151.57553	0.7
152.99602	100.0
153.99905	1.6
171.00647	4.9
199.06624	0.6
292.61484	0.6
431.21924	4.3
432.22546	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	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99138	0.3
69.07888	0.8
69.08292	2.5
78.95911	78.6
92.98535	0.3
96.96371	0.6
96.96967	6.1
141.09595	0.3
150.98042	1.5
152.99605	100.0
153.99968	1.1
171.00684	2.7
208.64954	0.3
277.21790	1.3
318.72519	0.3
371.22870	0.3
375.93225	0.3
410.21057	0.3
431.22049	8.7
432.22498	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
57.03446	2.7
58.00586	1.6
58.39322	0.4
59.01386	35.6
62.87080	0.4
63.41486	0.4
68.28287	0.6
69.03458	0.7
70.39483	0.6
70.39833	1.4
71.01386	39.3
72.01718	0.5
72.99308	2.5
73.02954	9.9
83.01385	5.4
85.02960	17.6
86.00111	0.6
87.00884	2.0
87.04514	4.1
89.02451	13.4
95.01397	3.4
97.02946	0.8
99.00871	4.1
99.04467	0.5
101.02451	25.1
102.02766	0.5
113.02461	14.3
119.03514	5.2
125.02467	1.1
127.32395	0.4
133.02969	3.9
135.04515	1.1
141.44629	0.4
143.03493	1.2
145.18912	0.5
148.20013	0.5
150.10872	0.4
150.12238	0.5
159.03021	1.8
161.02484	9.8
161.04549	5.1
179.05687	0.9
183.96394	0.5
185.05327	0.4
223.04553	0.4
223.36859	0.4
251.16545	1.3
269.17603	1.0
413.21722	0.6
431.13422	5.5
431.22867	100.0
432.23163	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	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.5
57.03437	3.7
58.00607	1.9
59.01387	40.3
61.98836	2.1
71.01040	2.2
71.01391	32.7
71.26414	1.7
72.99310	1.9
73.02954	7.9
83.01381	4.2
85.02957	13.8
87.04530	3.3
88.38481	1.1
89.02456	11.6
95.01380	3.8
99.00919	3.3
101.02452	22.1
113.02469	11.7
119.03518	4.7
125.02400	2.0
141.10651	1.4
159.03056	2.1
161.04553	3.8
163.05672	1.2
269.17664	1.4
354.72610	1.5
414.47833	1.7
422.28540	1.5
431.22772	100.0
432.23126	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01718	1.3
65.81374	0.5
69.06396	4.7
71.01389	9.6
73.02959	1.3
85.02962	2.5
87.00955	0.5
89.02454	10.0
89.02969	0.9
95.01427	1.2
98.22143	2.5
99.96045	0.5
101.02458	5.8
113.02475	3.6
119.03499	4.1
143.03560	0.7
155.99306	0.5
161.04538	3.1
179.05690	1.9
183.10417	0.7
249.73155	0.5
254.91548	0.5
268.03958	2.0
269.04666	0.7
269.17404	0.7
361.18832	1.6
431.10254	1.6
431.22980	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	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79860	1.0
57.03453	1.3
59.01386	100.0
61.98822	2.0
67.71933	1.1
71.01387	19.8
72.99297	1.4
73.02951	3.6
83.01401	1.7
85.02956	7.0
87.00909	2.1
89.02460	13.7
95.01421	2.2
98.21775	3.5
98.22487	4.3
99.00883	3.2
101.02442	11.4
106.47681	1.1
109.86682	1.1
111.00934	1.2
113.02466	8.9
115.92129	1.3
119.03526	5.6
123.00870	1.4
125.02465	3.3
131.03540	1.9
137.02458	1.2
149.02344	1.5
161.04588	7.5
163.00368	2.0
169.01468	2.0
179.05637	1.6
207.59502	1.1
241.01451	2.1
245.00992	1.7
247.02364	2.0
268.03870	5.3
270.01743	1.7
294.29123	1.3
299.01901	1.9
349.05130	1.1
360.83701	1.2
371.20758	4.6
431.09735	3.8
431.22989	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	431.2442
Annotation	Rastevione
Peak:m/z	Relative Intensity
55.59311	0.3
56.63654	0.3
60.24822	0.3
68.96027	2.3
68.96437	1.1
71.19577	0.3
80.24026	0.3
93.03455	0.4
98.22516	0.7
109.49978	0.3
114.06249	0.3
117.03480	16.7
118.03799	0.5
119.05039	26.5
120.05392	0.6
121.02956	1.8
133.03006	0.5
142.67921	0.4
145.02966	100.0
146.03308	3.9
152.99561	0.4
156.21632	0.3
163.04022	19.0
164.04362	0.8
168.65218	0.3
175.15474	0.3
267.19757	1.4
285.04050	0.5
285.17667	0.5
285.20752	7.8
286.21277	0.4
311.75323	0.3
413.23209	0.5
431.24423	26.1
432.24615	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	432.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30080	16.5
51.85725	17.4
59.01389	27.4
69.49525	100.0
87.70411	17.3
125.02483	48.4
174.60631	18.3
293.90826	24.2
326.31198	21.9
393.60507	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	432.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57631	5.4
52.51073	4.6
59.01381	18.4
59.92222	4.4
69.65900	21.1
71.01387	14.4
73.19996	5.0
78.91912	11.5
85.02980	6.3
85.64079	6.0
89.02442	7.7
99.00909	8.2
101.02489	9.2
102.27216	5.7
113.02423	6.9
125.02486	9.9
137.02524	7.2
145.03036	5.5
147.04677	5.6
153.09210	6.5
161.02502	12.2
163.00410	9.8
169.01425	7.6
175.03979	8.3
177.01901	6.3
187.79114	4.8
190.02718	5.4
190.99875	5.8
191.03499	11.8
193.01485	13.0
203.03540	14.5
216.00546	6.7
219.02951	7.9
224.09225	5.0
229.01376	8.5
237.00404	5.9
242.99394	10.5
245.00908	12.2
247.02531	9.2
249.03883	6.1
254.44635	6.1
263.01840	5.4
270.98920	7.5
275.01999	11.2
299.99142	100.0
301.00018	32.0
350.16238	6.4
389.05096	13.3
433.04056	70.7
433.24646	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	433.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45726	0.6
68.47670	0.6
69.12338	0.6
70.22196	1.1
89.35474	0.6
105.66138	0.6
132.02185	0.6
160.01691	0.7
172.01700	1.2
188.01155	0.8
200.01141	1.7
201.02025	0.8
216.00610	2.5
228.00493	0.8
229.01521	0.8
242.99310	1.4
244.00165	2.8
257.01028	0.9
270.99002	0.8
271.99515	0.9
282.98825	0.8
298.98309	1.2
299.99139	100.0
300.99826	31.9
302.00269	2.4
334.46011	0.7
433.04153	49.0
434.04443	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	433.0417
Annotation	Etravirine
Peak:m/z	Relative Intensity
57.14381	0.5
58.00577	0.6
58.10868	0.5
59.01381	4.9
65.00317	0.5
71.01394	3.6
73.02935	0.7
73.04064	0.5
83.01352	0.6
85.02935	2.0
89.02462	3.4
89.35468	0.5
95.01365	0.5
98.21733	1.4
98.22430	3.5
99.00890	0.7
101.02447	2.2
102.63122	0.5
105.51578	0.5
109.02967	0.5
113.02460	1.6
119.03479	1.3
125.02473	0.6
137.02454	0.7
144.02231	0.5
145.02954	0.9
169.01447	0.7
172.01704	1.1
185.02458	0.8
188.01199	0.8
191.03404	0.5
200.01234	2.7
216.00601	3.2
217.01366	0.9
219.03130	0.6
220.31627	0.6
226.99738	0.7
228.00592	0.8
229.01378	1.4
229.24606	0.7
242.99348	1.4
244.00055	3.4
247.02530	0.8
270.98871	0.7
271.99475	1.2
275.01904	0.6
282.98871	1.2
283.99741	0.6
298.98279	1.1
299.99146	100.0
300.99844	36.1
301.02692	0.5
302.00165	2.8
373.02493	0.5
433.04150	54.0
433.20844	2.2
434.04459	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	433.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59016	0.3
57.03456	0.4
59.01365	0.6
69.66457	0.9
69.66865	1.3
71.01358	0.9
75.12573	0.3
81.56130	0.3
85.05962	0.4
89.35450	0.4
97.59230	0.3
98.21900	0.5
98.26143	0.3
99.87511	0.3
113.02426	0.4
125.02457	1.4
135.78773	0.3
147.00906	0.5
148.01683	0.6
159.19901	0.3
160.01685	0.9
166.54579	0.4
172.01666	1.3
173.02397	0.7
185.02472	1.1
186.85307	0.4
188.01129	0.8
196.05040	0.4
196.30151	0.3
200.01134	2.2
201.01848	1.1
216.00681	2.7
226.99846	0.8
228.00656	1.5
229.01448	1.9
242.99327	1.4
244.00182	3.7
245.00800	0.5
254.99417	0.4
257.00931	1.4
270.98782	1.0
271.99683	2.0
282.98981	1.6
283.99615	1.0
298.22498	0.4
298.98398	1.1
299.99139	100.0
300.99869	61.1
302.00262	3.9
310.59222	0.4
358.51166	0.4
433.04153	64.0
434.04474	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	433.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73737	1.2
59.01396	2.1
60.99308	3.7
68.88886	1.4
68.96271	13.8
73.53050	1.2
74.16136	1.1
78.50649	1.3
85.02973	6.3
87.00858	1.2
88.98811	14.5
88.99314	1.9
93.03484	2.2
94.23150	1.2
113.02414	1.2
125.02454	2.1
127.04044	1.4
127.49527	1.2
156.50810	1.1
169.01431	3.8
173.79364	1.4
191.05629	100.0
192.05957	3.4
211.02518	1.5
240.10443	1.1
241.77878	1.2
343.06726	19.9
344.06900	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	433.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	1.0
65.00314	2.2
67.31131	0.6
70.30560	1.0
70.30949	0.9
75.87089	0.5
77.49372	0.5
83.01380	1.5
93.03449	0.5
107.01413	4.5
108.02181	2.1
109.02971	3.4
121.02957	3.3
124.01639	0.7
125.02455	0.7
125.98743	0.5
135.00887	1.6
148.01680	2.1
149.02467	0.8
151.00391	15.4
152.00755	1.0
159.04427	0.6
163.00429	4.6
164.01152	1.1
164.92407	0.5
169.01465	0.6
177.88791	0.5
178.99881	8.3
180.00166	0.6
183.04523	1.0
187.04013	0.9
192.00732	1.1
198.03154	0.6
199.04068	1.4
201.05565	1.3
203.03479	0.7
211.04013	2.2
213.01921	0.7
215.03539	1.4
226.02693	1.8
227.03581	4.5
229.05022	1.3
243.03011	13.1
244.03497	0.9
245.04619	2.6
254.02290	1.8
255.03012	32.2
256.03384	3.1
271.02512	59.0
272.02948	6.8
273.04037	2.7
273.06696	0.5
283.02448	2.5
299.02060	1.6
299.95673	0.8
300.02789	96.9
301.03540	100.0
302.03915	8.1
343.04883	0.6
433.07822	40.4
434.08133	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	433.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88002	0.7
64.99571	0.7
66.81964	0.8
70.56354	2.1
73.73854	0.7
77.74940	0.7
83.01340	0.9
93.19244	0.7
98.16455	0.7
101.95367	0.7
107.01367	3.3
108.02164	1.3
109.02956	1.7
115.32954	0.6
116.48931	0.6
121.02927	2.0
128.67509	0.6
133.02902	0.7
135.00867	1.9
143.85103	0.7
145.61812	0.7
145.97766	0.8
148.01611	1.2
151.00375	11.4
163.00334	2.7
164.01103	1.4
178.99905	5.6
196.43417	0.8
199.03952	1.4
211.03934	1.0
226.02670	3.2
227.03481	3.9
229.05116	0.8
243.00688	0.5
243.02982	14.9
244.03436	1.3
245.04510	1.3
250.54567	0.7
254.02251	3.5
255.03011	25.5
256.03333	2.0
271.02502	68.5
272.02994	7.4
273.04166	1.1
283.02512	1.7
289.28427	0.8
299.01987	1.9
300.02771	100.0
301.03513	64.0
302.03998	4.0
326.85205	0.8
433.07828	58.1
434.08118	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	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40800	0.5
55.59585	0.5
55.62989	0.5
59.01394	0.9
63.02393	0.8
65.00331	6.6
67.01888	0.5
68.97369	6.0
68.99829	1.5
69.03452	1.9
71.01375	0.6
77.03960	0.7
78.22984	0.6
79.01913	1.0
81.03457	3.3
83.01398	4.9
93.03465	7.8
95.01411	2.2
97.02969	7.0
99.04572	0.5
105.03482	1.6
107.01401	7.6
107.05043	0.7
109.02967	1.4
111.00063	0.5
111.16936	0.5
111.94687	0.6
113.02460	1.4
117.03509	1.1
119.05044	50.9
120.05392	2.2
121.02976	6.9
123.00917	3.0
123.04553	1.2
125.02461	17.1
126.02814	0.6
133.02992	0.9
135.00911	0.7
135.04559	0.9
137.02467	4.1
141.91794	0.4
143.05034	4.5
144.98219	0.5
145.02994	5.0
147.04546	0.9
147.11139	0.5
148.01689	0.6
149.02470	6.4
151.00388	14.7
151.04048	0.6
155.03543	1.2
157.06584	0.9
161.02443	0.9
161.06126	2.9
163.00401	7.8
163.04060	1.2
164.01096	1.8
165.01964	9.7
167.03554	4.1
169.01422	0.5
177.01900	2.7
179.03487	2.1
185.06096	3.5
186.85228	0.4
187.04031	5.7
190.99855	0.5
191.03578	1.3
193.01439	29.3
194.01776	1.2
197.06107	0.6
199.07724	1.5
205.01428	1.0
207.03070	2.3
219.02962	1.6
223.02461	3.3
223.07542	0.5
226.06311	0.8
227.03525	0.8
227.07048	2.3
229.05098	1.3
241.08737	1.4
243.03008	1.3
255.02963	3.9
269.08258	2.0
271.02533	8.4
271.06152	9.1
272.03006	1.2
272.06433	0.7
283.06174	2.2
299.99268	1.1
300.02750	12.2
301.03461	6.0
309.36932	0.5
311.05649	1.0
313.07214	100.0
314.07602	9.6
325.07230	2.0
343.08258	29.0
344.08746	2.5
355.08386	1.2
415.10571	2.1
433.06818	2.4
433.12128	16.5
434.11829	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.6
61.30133	0.9
61.98833	1.1
64.33945	1.0
65.00333	1.9
67.01895	1.4
67.43413	1.0
69.03474	1.0
71.01395	7.4
72.99291	1.4
73.02947	1.5
79.01901	1.6
83.01410	2.9
85.02977	3.3
89.02446	5.7
91.28891	0.9
93.03442	1.0
95.01411	3.7
95.20618	0.9
101.02447	5.6
107.01402	12.6
109.02953	2.3
111.00894	3.7
113.02469	5.7
119.03654	2.8
119.05040	57.2
121.03010	2.7
123.00900	14.8
124.01727	2.0
125.02460	50.2
126.02836	2.2
127.00392	1.6
136.98866	1.9
137.02446	1.9
139.00383	6.5
140.01195	2.4
141.01965	2.7
149.02405	1.6
151.00398	17.0
161.04524	1.0
163.00418	1.9
165.01987	1.1
168.00685	4.3
169.01443	64.3
170.01808	3.3
178.02768	1.3
178.99925	3.3
179.05740	1.1
185.06155	3.0
191.03557	1.5
197.11978	1.9
211.02449	1.2
223.02505	1.3
226.02736	1.6
227.03528	3.0
227.07129	2.6
229.01584	1.4
229.05060	1.3
243.02954	6.0
244.03577	1.7
245.04607	1.5
251.20683	1.2
255.03004	13.1
256.03391	1.5
271.02579	26.4
271.06198	21.3
271.09152	1.3
271.19266	2.1
272.03110	2.8
272.06534	1.5
283.02502	1.6
299.99228	16.6
300.02856	43.8
300.99976	9.8
301.03604	40.0
302.03946	2.8
313.05692	28.1
358.10764	2.0
373.13016	6.7
418.12518	1.6
433.04260	3.0
433.11551	100.0
434.11975	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	1.5
59.01385	26.7
61.33087	0.6
65.00323	4.9
67.46451	0.7
69.03447	0.8
69.41519	4.7
71.01394	4.4
79.01908	1.2
81.03462	2.4
83.01380	4.5
85.02956	1.4
89.02454	3.5
93.03463	5.6
95.01402	1.7
95.05032	1.2
96.72423	0.7
97.02957	5.3
98.21797	0.9
101.02448	2.0
105.03481	2.3
107.01408	6.2
109.02953	2.0
113.02480	2.2
117.03474	1.3
118.73392	0.7
119.03603	1.5
119.05035	42.3
120.05376	1.1
121.02944	6.9
123.00880	3.7
123.04502	0.9
125.02458	17.8
125.03335	1.1
133.02975	2.5
135.04553	2.0
137.02458	3.5
143.05002	4.3
145.02974	4.3
147.00874	1.0
147.04453	0.8
149.02452	6.0
151.00378	14.5
155.03456	1.6
157.06561	1.1
161.02470	8.4
161.04591	1.1
161.06107	2.0
163.00381	6.3
163.04039	1.1
164.01204	1.2
165.01958	11.1
167.03503	3.0
170.01668	0.7
172.01682	1.3
177.01985	3.0
179.03534	2.5
185.06133	2.2
187.03947	3.9
188.01183	1.1
189.02007	1.1
190.99780	1.1
191.03479	2.6
193.01440	28.0
193.03218	1.6
194.01703	1.8
200.01146	1.0
201.01826	1.1
205.01445	1.7
207.03040	2.4
216.00636	2.3
217.01361	0.9
219.02992	2.9
223.02435	3.1
226.06497	1.0
227.07072	1.8
229.05008	1.1
235.13545	1.1
241.08661	1.4
242.99419	1.5
244.00182	1.9
245.00694	1.2
253.14449	2.1
259.99442	1.2
269.08090	1.4
271.06116	10.8
271.99585	0.8
272.06686	0.9
282.98541	0.9
283.05978	2.4
299.99161	51.8
300.99835	17.8
301.03284	1.3
302.00308	1.3
313.07208	100.0
314.07520	8.0
325.07172	2.4
343.08276	28.4
344.08554	2.5
355.08295	1.8
383.00397	0.8
415.10339	1.1
433.04132	31.8
433.11313	13.3
433.20535	8.8
434.04480	4.3
434.11655	1.8
434.21106	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.2
63.02410	2.3
65.00325	8.5
69.22556	6.6
69.22972	1.6
71.01382	1.9
83.01383	5.2
89.02441	1.0
91.01896	1.5
93.03456	7.2
94.03883	1.3
107.00741	1.4
107.01405	16.3
108.02193	2.1
109.02978	2.3
113.59916	0.9
119.05035	34.0
120.05385	1.3
121.02962	3.0
131.36462	0.9
134.03705	1.0
135.00925	5.4
135.04541	21.5
137.02379	1.0
148.01682	2.2
151.00381	45.6
152.00722	2.1
153.01965	1.5
161.06061	1.0
163.00368	3.6
164.01114	1.7
165.01956	2.4
169.01424	1.8
175.00342	1.6
177.01967	3.9
178.99850	4.0
185.06290	1.0
187.03941	1.6
226.02702	1.4
227.03491	3.1
229.04922	1.1
243.03041	7.1
245.04530	1.8
254.02351	1.8
255.03000	19.1
271.02533	38.5
271.06125	100.0
272.03012	3.2
272.06433	7.4
273.03894	2.5
283.02487	1.7
295.06055	1.2
299.99243	8.4
300.02734	59.6
301.00168	2.7
301.03513	66.2
302.03940	5.3
313.07166	2.6
433.07925	20.8
434.08176	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01381	5.8
65.00325	3.4
67.01884	0.8
68.92381	0.7
69.03467	1.4
71.01392	5.4
73.02930	0.8
74.86205	0.7
79.01939	1.2
79.02422	0.8
81.03465	2.2
83.01395	3.9
85.02944	1.3
87.00890	0.9
89.02441	2.9
93.03451	5.4
95.01400	1.7
97.02965	5.1
101.02448	3.6
105.03459	1.1
107.01420	6.1
108.02146	0.9
109.02954	0.8
113.02479	1.8
117.03463	0.8
119.05043	39.3
120.05407	1.2
121.02982	5.3
123.00916	1.4
123.04532	1.4
125.02458	14.8
135.00899	1.7
135.04552	1.6
136.01703	1.1
137.02483	4.0
143.05014	4.2
145.03012	4.0
147.04407	0.9
149.02438	4.6
151.00398	12.2
155.03511	1.4
155.07137	0.9
161.02493	1.9
161.06073	1.6
163.00389	5.4
163.04111	1.4
164.01134	1.7
165.01926	9.5
167.03560	4.0
169.01454	1.6
177.01952	3.0
179.03528	2.6
185.02502	0.8
185.06136	2.0
187.04045	3.6
187.96442	0.9
191.03442	1.1
193.01434	23.6
194.01749	1.7
200.01241	1.7
205.01419	1.3
207.02986	2.6
216.00684	1.4
217.01411	0.9
217.61613	0.8
219.03065	2.9
223.02467	4.1
227.07216	2.3
229.01552	1.0
241.08691	1.2
244.00128	1.5
245.08350	0.9
253.14778	1.2
255.02975	1.3
269.08173	1.3
271.02573	2.2
271.06140	8.6
271.99820	1.3
283.06027	2.9
299.99173	30.4
300.02750	3.8
300.99869	16.1
301.03479	3.9
302.00513	1.6
313.07211	100.0
314.07513	7.6
325.07156	1.6
343.08240	27.1
344.08585	2.7
355.08304	1.2
415.10504	2.5
433.04160	17.3
433.11401	15.1
433.20367	1.9
433.25189	1.5
434.04422	2.2
434.11990	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	72.6
61.98834	1.3
63.02406	2.5
65.00338	9.8
71.01389	9.5
71.26671	1.9
73.02943	6.1
83.01401	9.1
85.02964	2.4
89.02457	5.8
93.03474	5.0
95.01355	1.0
101.02456	11.2
107.01402	15.0
113.02460	3.9
118.74508	1.1
119.03540	2.7
119.05039	31.8
121.02953	1.5
125.02472	4.0
131.03499	1.2
133.03001	1.5
138.03244	1.2
143.05093	1.3
145.02977	5.4
149.02455	1.1
151.00386	54.9
152.00793	2.0
153.01930	1.2
153.05563	1.4
161.02484	1.3
161.04585	3.2
161.06071	1.1
165.01944	4.7
168.04320	2.7
169.01448	6.3
169.70418	1.1
177.01939	5.7
179.05603	1.1
185.06071	3.2
187.04008	3.7
191.03537	1.9
193.01465	3.4
207.06728	3.0
208.03802	1.7
209.08249	2.2
223.06244	2.5
227.07222	3.3
243.02927	1.5
253.04980	1.3
255.03030	4.2
269.04550	1.4
271.02686	8.2
271.06122	100.0
271.19113	1.8
272.03717	1.6
272.06497	9.6
295.06210	1.2
299.99146	43.6
300.02774	15.8
300.99860	20.9
301.03510	14.9
301.16541	1.3
302.03790	1.4
313.05814	3.6
386.42947	1.2
394.36682	1.3
433.03693	19.7
433.11435	5.6
433.24304	3.2
434.04330	1.9
434.25354	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.6
61.30133	0.9
61.98833	1.1
64.33945	1.0
65.00333	1.9
67.01895	1.4
67.43413	1.0
69.03474	1.0
71.01395	7.4
72.99291	1.4
73.02947	1.5
79.01901	1.6
83.01410	2.9
85.02977	3.3
89.02446	5.7
91.28891	0.9
93.03442	1.0
95.01411	3.7
95.20618	0.9
101.02447	5.6
107.01402	12.6
109.02953	2.3
111.00894	3.7
113.02469	5.7
119.03654	2.8
119.05040	57.2
121.03010	2.7
123.00900	14.8
124.01727	2.0
125.02460	50.2
126.02836	2.2
127.00392	1.6
136.98866	1.9
137.02446	1.9
139.00383	6.5
140.01195	2.4
141.01965	2.7
149.02405	1.6
151.00398	17.0
161.04524	1.0
163.00418	1.9
165.01987	1.1
168.00685	4.3
169.01443	64.3
170.01808	3.3
178.02768	1.3
178.99925	3.3
179.05740	1.1
185.06155	3.0
191.03557	1.5
197.11978	1.9
211.02449	1.2
223.02505	1.3
226.02736	1.6
227.03528	3.0
227.07129	2.6
229.01584	1.4
229.05060	1.3
243.02954	6.0
244.03577	1.7
245.04607	1.5
251.20683	1.2
255.03004	13.1
256.03391	1.5
271.02579	26.4
271.06198	21.3
271.09152	1.3
271.19266	2.1
272.03110	2.8
272.06534	1.5
283.02502	1.6
299.99228	16.6
300.02856	43.8
300.99976	9.8
301.03604	40.0
302.03946	2.8
313.05692	28.1
358.10764	2.0
373.13016	6.7
418.12518	1.6
433.04260	3.0
433.11551	100.0
434.11975	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	433.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74958	0.6
59.01359	1.6
65.48335	0.5
68.96565	1.2
68.96966	5.6
72.99311	16.3
73.02946	1.3
81.07104	1.3
85.06603	1.2
97.69494	0.6
99.08167	6.3
101.06078	1.4
112.98601	0.9
113.06097	4.6
114.98886	0.8
115.07658	48.2
116.07991	1.7
123.00873	1.4
124.01672	2.6
125.02462	1.9
125.06100	0.6
128.03564	0.6
129.05592	28.2
130.05919	1.1
143.07147	17.2
149.99557	4.2
159.05345	0.8
159.06647	3.2
165.30061	0.5
168.00656	8.8
169.01421	0.6
169.03548	1.2
169.04802	0.9
183.05254	0.6
205.07179	100.0
206.07527	4.3
211.04630	0.6
227.05345	2.5
295.10623	0.9
301.04169	1.2
357.10681	2.5
408.35556	0.7
433.09055	7.3
434.10492	1.0
434.41437	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	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52060	2.2
59.01093	4.4
59.01381	72.9
59.64523	2.4
67.45396	2.7
69.03454	8.4
71.01389	86.7
71.26932	4.2
72.99312	4.6
73.02934	11.2
74.99920	2.7
75.00880	4.4
81.03479	5.6
83.01384	7.1
85.02947	9.2
87.00873	6.2
88.98825	5.1
89.02454	100.0
95.01407	4.8
97.02949	15.5
99.00880	17.7
101.02464	20.4
111.00848	2.9
113.02448	7.2
115.04002	5.7
119.03529	2.5
123.00878	11.8
124.01675	33.0
125.02475	64.8
126.02769	5.0
131.03508	10.4
139.03995	11.1
143.03555	6.0
149.04564	11.8
161.04546	4.2
169.01387	4.8
187.67433	2.3
191.05588	7.9
233.06667	35.5
271.04602	7.2
293.08783	35.4
299.99319	3.0
335.13507	4.6
373.07645	3.6
409.57895	2.8
433.13589	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	433.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46579	9.5
69.17445	31.3
69.17868	55.1
98.21769	20.4
98.22415	34.4
169.01295	13.2
233.55020	11.5
249.70552	10.6
271.02579	14.6
299.99127	100.0
300.02280	17.9
300.99976	47.3
301.03281	18.3
433.04089	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.34433	1.0
71.01382	14.4
73.02951	20.7
75.00878	1.5
83.01402	5.6
89.02443	3.8
98.21892	4.6
101.02457	21.2
112.97945	1.2
113.02448	5.1
119.03526	1.8
131.03554	2.4
135.00925	1.1
135.03018	1.9
149.04541	3.0
151.00420	1.5
161.04617	6.1
195.17604	1.0
217.82605	1.2
244.00232	1.2
255.03038	2.3
271.02448	4.1
297.04095	5.2
299.99179	14.4
300.02786	5.2
300.99854	9.7
301.03540	8.1
433.04144	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12514	1.0
55.34526	0.8
57.03453	1.1
59.01387	90.9
61.98822	1.5
63.02404	3.2
65.00328	10.9
68.99807	2.2
69.77263	0.9
71.01382	10.8
71.25726	2.0
73.02953	8.0
74.00220	1.1
83.01396	12.2
85.02969	1.7
89.02463	4.5
93.03476	6.1
95.79665	0.9
101.02467	10.9
107.01413	18.1
109.02949	1.1
113.02452	3.8
117.03485	1.3
119.03593	2.1
119.05045	32.2
120.05373	1.5
121.02962	2.2
125.02452	4.0
131.03511	1.0
137.02481	1.2
139.00403	0.9
143.03522	1.6
143.05028	1.0
145.02959	7.5
149.02339	1.0
151.00397	66.7
152.00777	2.8
153.05617	1.2
157.06667	0.9
161.02492	1.5
161.04572	3.3
161.05998	1.6
165.01933	8.9
168.04341	2.4
169.01480	5.4
174.49033	0.9
176.01180	1.7
177.01974	6.3
177.10709	1.0
178.99892	1.7
179.03485	1.5
185.06111	3.2
187.04044	2.9
191.03561	1.4
191.77185	1.0
192.04367	2.0
193.01366	1.7
193.05005	0.9
194.05774	1.5
200.01186	1.2
207.06618	2.4
208.03804	1.8
209.08243	1.5
210.81424	1.0
223.06152	4.1
227.07140	3.7
243.02975	1.9
244.00108	1.2
255.03072	5.6
256.54141	1.2
271.02655	8.2
271.06134	100.0
272.03690	1.2
272.06488	9.1
299.99121	44.5
300.02765	15.1
300.99838	24.5
301.03500	16.3
302.00342	2.3
302.03558	1.1
313.05649	2.5
318.65802	1.2
382.60565	1.0
405.06418	1.1
433.03806	19.9
433.11871	6.9
433.24826	2.2
434.04446	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	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22072	0.3
59.96008	0.2
63.46174	0.3
63.81995	0.2
68.53574	0.3
70.91969	0.4
70.92284	0.5
78.95908	54.2
96.96965	5.7
106.01505	0.3
150.97983	1.7
152.99594	100.0
153.99947	1.3
171.00647	4.0
219.98531	0.2
279.23349	0.9
364.58975	0.3
433.23575	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	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24556	0.3
62.33032	0.3
62.96407	0.3
69.45686	0.3
69.75655	1.0
78.95908	55.6
95.71838	0.3
96.96964	6.4
106.49125	0.3
120.05931	0.3
150.62959	0.3
150.98010	1.8
152.99596	100.0
153.99908	1.7
161.02415	1.3
171.00627	3.7
173.30550	0.3
201.70244	0.3
279.23264	1.1
300.02435	0.4
301.03482	0.3
394.97763	0.3
433.23502	6.0
434.24048	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	433.2598
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
70.72633	1.0
70.72950	1.2
71.92049	0.6
92.32336	0.7
117.03480	19.8
119.05042	25.4
120.05369	1.3
121.02960	1.9
121.12737	0.7
122.17999	0.7
126.84393	0.7
127.36202	0.6
145.02966	100.0
146.03317	4.1
151.00403	1.7
163.04022	17.5
164.04298	0.9
186.74376	0.6
201.07669	0.7
202.40712	0.6
238.64517	0.7
243.02930	1.0
255.03035	1.9
256.03580	0.9
269.21271	1.9
271.02444	4.1
287.22284	9.3
288.22684	0.7
299.99152	5.7
300.02780	8.0
300.37454	0.7
300.99948	2.8
301.03494	6.9
328.32727	0.6
351.19345	0.6
359.62231	0.7
408.99307	0.6
415.24936	1.0
416.25095	0.6
433.03323	1.4
433.08322	1.8
433.25970	34.5
434.26178	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	434.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81253	0.3
59.01380	1.6
59.67825	0.3
60.01690	0.3
60.22961	0.3
61.98834	26.0
65.03968	5.5
70.47112	0.5
70.47467	0.8
71.01376	0.6
85.02970	0.4
91.01910	1.1
93.03478	0.4
101.02435	0.3
107.01416	0.7
107.05037	10.3
108.02190	5.6
109.02998	12.1
115.50275	0.3
119.05049	1.0
120.05447	0.3
121.02940	1.0
123.04532	2.3
124.04877	0.5
125.02466	1.3
133.02957	0.5
135.00914	1.5
149.02470	0.4
150.03175	0.3
151.00420	1.6
151.04024	100.0
152.01190	5.1
153.01500	2.4
153.16873	0.3
163.00319	0.4
163.04013	3.9
167.03513	11.2
168.00667	0.8
168.03860	5.8
169.01404	0.8
178.99825	0.5
191.03648	0.4
193.01477	0.5
194.01913	0.4
209.04547	1.2
209.08234	1.4
213.05070	0.4
227.97224	0.3
243.03014	0.5
244.03442	0.7
255.02850	0.6
255.06627	0.7
256.03256	1.4
270.14313	0.3
271.02533	1.4
271.14307	0.5
272.02844	2.4
272.14792	0.4
273.07709	35.4
299.99228	0.6
300.02753	1.6
300.99554	1.7
301.03226	5.9
302.00360	0.7
302.03787	4.6
313.07294	0.4
314.07620	2.1
341.06717	0.5
344.08527	0.6
371.13281	0.3
434.08417	2.4
434.24973	0.4
435.13116	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	434.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.8
61.98839	100.0
100.04375	4.2
117.92707	4.4
141.58917	4.1
188.23364	3.7
216.97516	4.2
229.01176	4.9
239.46178	4.4
299.99231	4.2
300.99567	11.1
302.00287	5.4
355.50656	4.7
371.24362	9.6
434.04269	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	435.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41097	5.5
60.99295	10.8
67.68307	5.0
71.27283	10.5
73.79256	6.6
85.02950	6.0
88.98811	100.0
102.25873	5.3
132.49840	5.5
145.03035	7.7
147.04494	5.6
173.02470	11.6
183.17557	5.6
189.02032	10.0
194.95187	5.6
201.01979	15.6
203.03473	17.5
217.01566	7.1
229.01367	13.4
230.02013	6.4
245.00919	6.5
247.02524	17.1
273.00421	17.9
291.01428	7.0
352.83990	5.8
432.13318	6.8
435.05798	36.3
455.89502	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	435.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57455	0.2
59.01370	0.3
60.21508	0.2
67.01889	0.7
69.03471	1.5
69.17784	2.1
74.80630	0.2
79.01906	0.5
81.03458	0.7
83.01389	0.3
84.03474	0.2
95.01397	0.6
97.02974	1.3
107.01415	0.4
108.01801	0.2
118.50353	0.2
119.05014	0.3
121.02977	0.3
123.00907	0.6
124.01676	0.8
125.02461	60.2
126.02789	2.3
148.88614	0.2
151.00423	0.4
168.00681	0.6
169.01442	100.0
170.01776	4.0
193.54192	0.2
264.05829	0.2
299.99561	0.3
300.02869	0.3
301.03455	0.3
302.03391	0.4
303.04077	0.3
422.47366	0.3
435.08356	0.5
435.13388	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	435.0937
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
51.12624	0.5
51.19422	0.6
54.51137	0.4
57.03461	3.0
59.01385	4.3
62.49917	0.4
63.02396	1.1
65.00333	19.5
69.50430	0.4
71.01376	3.5
83.01392	8.8
85.02930	1.0
89.02460	2.9
93.03458	1.3
95.01379	1.3
96.92705	0.5
101.02486	1.3
107.01402	23.2
108.99304	0.7
109.02970	2.2
111.00897	0.5
113.02487	1.5
119.03510	1.3
121.02985	1.1
122.03748	0.8
123.00923	0.6
123.04542	9.7
124.01707	3.7
124.04912	0.4
125.02456	29.4
126.02784	0.6
133.02946	2.8
135.04533	1.3
137.02493	2.9
139.00429	0.7
139.04021	0.7
149.02463	3.3
150.02028	1.0
150.03244	21.0
151.00386	100.0
151.04016	21.9
152.01181	17.1
152.04404	0.6
153.01971	3.6
161.02309	0.5
169.01442	1.8
171.04520	0.7
173.02458	0.5
174.03244	1.1
175.04016	3.8
176.01155	1.4
177.01945	5.9
177.25064	0.4
178.99875	21.4
179.05658	0.5
180.00198	0.6
181.01389	0.7
181.35324	0.4
185.06136	0.8
189.05595	1.1
195.04456	0.5
199.04005	3.6
201.01990	0.7
213.05519	0.7
215.03621	0.8
216.04274	0.8
217.04982	2.8
241.05075	3.1
257.04590	1.3
259.06107	1.5
273.20715	1.0
275.05667	2.0
283.08279	2.6
284.08609	0.6
285.04071	53.2
286.04431	4.6
297.06357	0.7
302.04361	3.1
303.05115	22.8
304.05331	1.8
309.06107	2.3
417.08115	1.0
435.04016	0.8
435.09390	8.2
435.25974	1.6
436.09753	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	435.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40639	0.8
54.70736	0.7
59.01383	2.0
61.98837	14.0
69.32487	0.7
71.01368	1.3
71.27409	1.3
83.48763	0.8
93.03470	8.7
95.05039	2.1
99.11201	0.8
107.05053	1.0
108.02187	1.4
109.02961	16.5
117.03458	1.5
119.05034	2.5
121.02944	1.3
123.04543	13.1
125.01627	0.7
125.02456	3.8
133.02954	1.8
135.00958	0.8
135.04492	1.0
137.02441	1.2
145.02992	8.2
147.04509	4.1
149.02458	1.3
150.03241	2.1
151.00365	0.9
151.04034	14.2
159.04555	1.7
161.02477	2.0
167.03506	0.9
169.01366	2.4
177.01952	25.3
178.02243	0.9
181.05045	1.1
187.04013	2.0
189.01953	51.5
190.02698	13.1
191.03493	11.2
192.03781	1.2
203.03571	7.2
210.08487	1.1
216.00652	9.0
217.01431	34.4
218.02026	3.4
219.03014	14.3
220.03323	1.0
229.08549	1.1
231.02957	11.1
232.03571	1.5
233.04640	0.8
241.05141	1.8
269.04422	1.4
271.06180	2.1
273.07645	3.2
281.04504	2.1
283.06033	1.0
289.07236	4.4
292.99606	0.8
297.07858	1.7
311.05804	4.8
315.08521	0.9
323.05594	1.8
341.06693	100.0
342.07043	9.4
375.27533	1.7
435.10846	34.4
436.11044	2.9
442.01291	0.8
443.96936	0.9
456.66852	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	435.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97605	1.4
56.86222	1.3
57.03445	4.7
59.01373	3.0
61.98832	1.9
65.61430	1.2
82.23895	1.7
83.01402	5.5
88.22558	1.4
93.03446	4.8
95.05020	2.3
97.02953	5.7
98.21784	3.2
109.02962	23.5
115.07609	2.3
117.03471	22.1
119.05048	15.2
119.50204	1.2
121.02952	7.8
122.03769	1.4
123.04539	14.8
125.02459	23.4
132.19951	1.5
137.02452	27.9
139.04005	3.2
145.02971	71.0
146.03343	3.3
147.04514	1.8
149.02437	4.9
151.04051	8.4
159.04530	4.6
161.06075	4.8
162.03282	2.7
163.04042	9.3
164.01169	3.7
165.01935	37.6
167.03531	1.7
175.03972	2.3
175.07700	2.2
177.01923	3.7
179.03493	3.5
187.03951	6.4
188.04773	4.7
189.01924	9.5
190.02724	2.5
191.03580	1.8
202.06360	1.9
203.07130	10.3
205.05020	6.9
217.01381	4.1
219.03105	2.1
221.08209	2.5
227.07133	3.9
231.03014	1.8
245.08203	13.4
246.08458	1.3
253.08818	3.3
269.08142	11.5
271.06042	5.0
285.07803	2.3
289.07196	100.0
290.07587	7.3
341.06656	16.9
342.06876	3.3
391.11984	1.5
435.10989	11.0
435.25967	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32335	0.5
50.62335	0.5
59.01134	0.5
59.01386	6.5
67.01889	1.1
68.07553	0.4
70.02551	1.7
71.01380	4.6
72.99296	0.7
73.75970	0.5
79.01900	0.9
83.01397	0.9
85.02946	1.2
89.02448	3.2
95.01385	1.8
99.00860	0.7
101.02449	3.9
107.01391	4.6
111.00878	2.5
113.02464	1.5
119.03505	1.1
121.05058	1.9
123.00896	14.7
125.02458	19.2
126.02808	0.6
133.21977	0.5
136.98817	0.8
139.00372	4.5
139.02846	0.5
140.01244	2.6
141.01968	6.1
151.00374	9.0
151.03978	0.5
159.58456	0.5
162.33342	0.6
168.00636	2.8
169.01439	28.0
170.01743	1.3
179.03464	0.9
181.05014	0.5
211.02509	3.7
255.05338	0.5
271.04596	5.6
273.06097	0.6
313.05612	2.8
435.11438	100.0
436.11777	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	435.1301
Annotation	Rocymosin B
Peak:m/z	Relative Intensity
54.97475	0.3
59.09608	0.3
61.98816	0.8
65.03664	0.4
65.03968	5.2
69.72504	1.3
91.01893	0.7
101.02457	0.3
107.05042	8.9
108.02180	0.7
108.05358	0.4
109.02964	12.9
110.03263	0.6
116.53113	0.3
119.05063	0.4
121.02928	0.7
123.04491	0.5
125.02436	1.0
133.03003	0.5
135.00873	1.5
149.99635	0.4
151.04024	100.0
152.04361	3.9
163.04041	3.7
164.04443	0.3
167.03487	0.4
168.00702	0.5
169.01314	0.4
209.04594	0.4
255.06628	0.9
273.07703	37.5
274.08054	3.3
341.06943	0.4
432.51749	0.3
435.13193	10.0
436.13684	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	435.1296
Annotation	Trilobatin
Peak:m/z	Relative Intensity
50.80244	0.6
57.03445	2.1
59.01385	2.3
61.74557	0.6
64.82426	0.7
65.00334	1.7
67.51913	0.6
70.19727	2.0
71.01399	1.0
81.03467	14.1
83.01392	5.4
89.02447	0.7
93.03461	8.8
95.01397	1.1
95.05058	0.7
98.46187	0.7
107.01406	1.5
119.05038	15.0
121.03042	0.7
123.04536	35.8
124.04858	1.0
125.02460	18.5
126.02834	0.9
135.04501	1.4
147.04614	0.7
149.02469	2.7
151.00395	4.8
153.01950	1.9
166.02737	1.9
167.03510	85.7
168.03836	4.2
169.01419	4.2
179.03494	7.9
185.06027	1.0
187.07596	0.8
189.05583	2.3
191.03494	1.3
227.03445	0.7
228.03839	1.3
229.04060	2.6
229.08714	1.5
230.04311	1.0
231.04546	1.1
255.02838	0.8
256.03375	2.2
257.03400	3.0
258.03885	2.0
259.04111	1.7
273.07697	100.0
274.08029	6.9
285.03720	1.5
286.04013	3.9
287.04468	5.0
288.04739	5.4
289.05127	4.3
301.03189	1.0
302.03333	1.5
303.04175	1.9
315.08588	2.7
341.06693	1.6
345.09946	0.8
435.12881	11.7
436.13388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33247	0.4
59.01384	9.2
61.98823	0.5
62.83741	0.4
65.00322	0.4
67.01881	1.3
69.03465	0.6
69.96104	1.6
71.01378	5.5
72.99299	1.4
79.01896	1.6
83.01411	0.8
85.02947	1.9
87.00888	0.4
89.02451	3.0
95.01402	3.0
97.02923	0.7
98.13510	0.4
99.00855	0.5
101.02451	2.6
107.01397	5.7
111.00890	3.3
113.02434	1.4
119.03522	0.7
119.05001	1.0
121.02919	0.4
123.00903	20.2
124.01762	1.0
125.02456	19.6
126.02817	0.6
127.00381	1.2
136.98848	2.1
137.02515	0.4
139.00388	8.0
140.01173	5.2
141.01970	2.4
151.00388	13.2
151.03943	0.4
153.01952	0.9
160.63184	0.4
163.97615	0.4
167.03586	0.8
168.00674	5.2
169.01443	22.2
170.01817	1.0
179.03506	0.5
203.03436	0.4
208.32915	0.4
211.02504	5.8
271.04654	4.4
302.03204	0.6
313.05554	1.0
435.12988	100.0
436.13275	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	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	64.1
71.27128	54.5
74.92953	51.4
137.02541	63.7
159.76085	48.7
192.06622	100.0
227.09178	57.2
300.33264	55.5
301.85065	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.5
61.98814	4.7
66.72465	3.8
69.39927	21.7
69.40337	8.3
71.01396	13.4
71.23676	4.0
78.14931	3.7
85.02956	5.9
85.23833	3.7
89.02438	6.9
92.12580	3.5
101.02486	8.1
112.30151	3.1
113.02483	6.2
119.05051	5.3
127.05189	5.4
145.06201	7.5
153.01958	4.1
156.22792	3.4
181.60301	3.8
255.19707	8.8
266.24039	3.5
273.20813	24.3
435.20435	6.6
435.26022	100.0
436.26273	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	435.216
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15108	100.0
69.15514	24.7
72.14062	13.8
93.93298	12.5
98.21915	39.2
129.55133	12.4
213.74100	13.5
379.79160	14.6
435.04517	15.8
458.63336	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31939	1.2
59.01089	2.7
59.01387	50.9
61.98837	1.9
65.54485	1.1
69.19586	11.0
71.01385	3.3
73.02987	1.6
85.02955	1.4
86.61119	1.3
88.56773	1.2
93.03471	1.2
101.02437	1.3
109.02966	3.7
113.02436	3.0
115.07607	1.6
116.92858	3.9
119.03482	1.2
119.05029	3.1
123.04544	1.8
125.02486	1.9
137.69533	1.2
145.02972	1.7
148.31989	1.2
151.00391	1.8
151.04012	3.1
154.20152	1.3
159.04506	2.2
169.01512	1.7
177.01961	4.9
183.13889	7.4
189.01967	9.4
190.02795	1.8
191.03510	1.5
195.13899	6.7
201.05618	1.5
213.14978	100.0
214.15370	6.2
216.00560	1.8
217.01430	4.2
219.03029	1.9
231.02899	2.1
255.15961	2.4
289.07050	1.4
297.07730	1.4
302.03448	1.9
303.04144	1.7
341.06677	19.9
342.06775	2.7
374.96088	1.4
392.11578	3.0
435.10397	3.8
435.26233	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	435.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33056	0.9
55.01890	4.9
57.03441	4.6
58.00591	2.3
59.01094	1.9
59.01384	33.2
61.98822	1.2
68.99831	1.0
69.03462	1.0
69.28271	7.4
71.01391	68.5
72.01722	1.3
72.99318	2.2
73.02954	27.3
83.01385	13.7
85.02962	35.5
85.03481	1.7
86.00067	1.5
87.00893	1.9
89.02454	10.6
95.01404	4.8
97.02955	2.2
99.00896	10.5
101.02455	56.7
111.00885	1.3
113.02459	23.0
119.05022	2.6
123.00928	1.0
125.02450	4.7
129.01952	2.2
131.03490	1.9
143.03506	2.8
149.04547	0.9
154.93964	1.0
159.03014	6.4
161.04575	35.0
162.04955	1.9
163.00172	1.0
169.01413	1.8
198.66444	1.0
205.03535	2.4
303.18155	100.0
304.18433	6.8
337.66171	0.9
418.66064	1.1
435.22388	18.3
436.22202	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	435.2518
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
55.89947	7.0
68.17561	6.7
78.95901	73.6
133.15154	7.0
144.46169	7.8
152.99609	100.0
163.11252	14.1
172.77156	7.2
304.63721	7.9
435.29349	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	435.2603
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
55.01876	2.3
57.03433	3.0
58.00592	4.4
59.01385	100.0
61.98822	0.8
69.36311	5.0
71.01389	82.5
72.01710	1.2
72.99327	5.2
73.02951	9.2
75.00880	1.1
83.01395	5.3
85.02959	21.3
87.00907	3.8
87.04527	1.8
89.02455	74.4
90.02815	0.8
93.44282	0.7
95.01406	6.0
97.02930	1.2
99.00884	4.8
101.02454	56.3
102.02816	1.1
113.02462	35.3
114.02791	1.2
114.88734	0.8
119.03515	35.5
121.02984	1.4
123.00862	1.2
123.04524	1.9
125.02464	3.4
129.01985	0.9
131.03500	3.1
137.02428	1.6
143.03514	8.2
149.04559	2.5
155.10825	7.4
159.03003	2.7
161.04579	20.0
164.07188	1.5
168.00664	1.5
169.01389	0.9
179.05620	19.6
188.20752	0.8
216.00653	2.4
217.01389	1.3
229.08707	1.9
244.00169	3.2
245.00905	4.0
249.06189	1.0
257.17502	1.0
271.19186	1.9
271.99667	11.2
273.00461	15.5
273.07642	1.6
273.20749	21.1
274.00824	1.0
274.21091	1.5
435.05597	7.8
435.26022	88.6
436.09018	1.1
436.26294	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	435.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
55.07555	1.2
57.03449	4.6
58.00586	5.0
59.01387	100.0
68.10632	1.2
69.18790	4.1
69.19207	7.4
71.01392	73.0
72.99303	5.1
73.02972	6.5
83.01391	5.0
85.02957	19.8
87.00884	2.3
87.04565	1.7
89.02454	76.4
95.01404	7.5
98.22588	2.7
99.00917	3.1
101.02456	46.6
113.02469	34.8
119.03516	38.3
125.02457	2.3
131.03508	4.2
131.48607	1.3
137.02481	2.5
143.03540	5.6
145.47394	1.4
149.04535	3.4
153.01920	3.3
155.10802	3.8
159.03015	2.1
161.04579	16.9
179.05658	17.8
244.00214	1.6
245.00699	2.3
262.22781	1.3
271.99597	2.5
273.00128	2.5
273.07697	2.0
273.20761	22.1
299.99130	23.3
300.99622	29.8
301.99744	61.6
303.00403	34.6
304.00876	2.5
356.92969	1.5
435.04684	69.1
435.26053	98.4
436.05170	7.1
436.26550	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	435.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48176	2.8
54.54534	2.5
55.01871	4.3
57.03443	5.4
58.00589	2.7
59.01385	100.0
64.77715	2.5
68.85117	2.4
69.09763	12.6
69.10187	9.3
71.01386	94.6
72.99306	9.1
73.02936	11.4
74.02480	2.6
83.01402	8.5
85.02954	29.7
87.00907	6.5
87.04519	5.9
89.02453	91.7
95.01411	7.4
96.96025	28.8
99.00909	4.7
99.05623	3.3
101.02455	63.2
113.02460	40.1
119.03529	41.8
119.05003	21.4
125.02466	2.7
128.03555	8.8
137.00021	2.5
137.02452	4.5
143.03505	8.4
143.04660	7.0
145.02968	4.6
149.04613	4.3
155.10793	2.8
159.03133	2.8
161.02475	2.7
161.04576	18.1
163.03964	3.5
169.01514	5.2
169.47565	2.5
173.02417	4.8
175.04019	5.9
179.05652	22.3
189.01927	2.9
191.03468	4.3
201.01976	4.8
203.03516	7.2
208.16580	2.7
217.01416	6.2
219.02917	5.6
221.04532	5.0
229.01450	5.0
245.00810	7.2
247.02478	22.5
254.07730	4.0
265.03827	3.0
272.09000	12.5
273.00449	12.2
273.20721	33.8
291.01685	3.8
299.99149	9.8
300.99551	9.8
301.99759	27.5
303.00391	4.9
304.05960	5.2
316.16611	10.1
379.08109	2.7
391.20068	2.8
435.05133	35.3
435.10016	3.9
435.26013	84.8
436.05710	4.8
436.26813	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	436.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.8
64.20853	0.7
67.01900	1.0
69.19307	4.7
69.19722	1.0
71.01385	6.2
79.01892	1.3
79.23705	0.7
85.02961	1.9
89.02438	4.3
95.01414	2.6
101.02451	3.0
107.01398	4.6
111.00910	3.0
113.02462	2.1
119.03539	1.3
123.00890	13.5
125.01541	1.3
125.02455	21.2
127.00385	1.3
136.98792	1.4
137.60945	0.7
139.00404	5.2
140.01193	4.6
141.01938	1.0
151.00377	9.3
167.03569	0.8
168.00655	6.4
169.01439	33.6
170.01888	1.3
183.47667	0.8
201.11276	0.9
211.02483	24.4
217.01230	0.8
229.01422	0.7
245.00594	0.8
271.04630	27.0
272.05011	1.9
299.99039	3.1
300.99487	8.5
301.99756	11.8
302.99969	18.9
304.00665	5.9
311.16525	0.7
313.05615	0.7
331.06668	1.2
382.69366	0.8
436.05112	17.9
436.12479	100.0
437.06552	1.3
437.12741	10.9
456.85712	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	436.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76569	0.6
57.06040	0.6
66.03522	0.6
70.09090	2.1
70.09449	1.2
76.49525	0.6
82.03007	1.4
84.00941	0.5
84.33370	0.6
92.05072	100.0
93.05408	2.8
94.03011	1.6
95.01409	7.5
98.02495	5.5
110.02481	2.4
112.04076	1.6
116.05067	2.4
116.07217	0.6
124.03993	0.7
128.89296	0.6
130.06668	0.9
136.04063	93.9
137.04408	2.1
138.01991	31.7
146.06068	0.6
158.89256	0.6
170.04610	29.0
171.04918	0.7
173.07216	1.0
174.05525	0.8
176.03516	1.3
185.07326	0.7
187.08809	2.0
203.08183	1.0
213.06653	1.0
218.04568	0.7
231.07750	1.9
263.10406	0.8
275.99646	0.7
299.10471	1.5
317.11575	0.8
355.51413	0.6
360.13583	4.0
404.12274	1.1
436.15189	50.4
437.15567	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	437.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
62.15985	1.4
63.03208	1.3
63.68800	1.4
66.96519	1.5
87.00886	55.1
96.96014	10.8
98.95600	13.3
117.03497	3.9
121.46484	1.4
124.60636	1.4
125.02469	2.1
130.99904	2.3
133.02965	1.6
143.05025	3.0
145.02962	5.9
145.06567	1.7
158.03629	1.4
161.02505	5.2
171.04532	5.3
173.02480	9.7
177.01939	1.7
179.03477	1.6
187.04016	2.3
189.01924	6.5
189.05487	2.2
190.02724	7.0
191.03516	1.9
199.03981	1.9
200.04674	1.9
201.01953	9.1
201.05603	3.4
202.02644	2.1
203.03610	2.4
205.01460	1.9
215.03488	2.0
217.01421	12.2
217.05064	5.2
218.02156	6.0
227.03462	2.6
229.01439	5.6
229.04967	2.3
229.44321	1.8
230.02194	2.5
243.02930	1.9
245.00940	22.0
245.04550	6.1
246.01466	1.8
247.02534	4.3
257.00943	5.2
258.01678	3.0
267.64182	1.3
271.02518	6.6
273.00430	100.0
273.04037	38.4
274.01202	28.2
274.04373	3.8
275.01956	25.6
276.02356	2.4
291.01526	1.8
296.32596	1.5
299.01904	9.3
299.68118	1.3
305.03018	23.0
306.03244	1.7
307.99777	1.5
317.03033	80.6
318.03430	6.6
343.01047	7.6
349.48547	1.7
357.02612	3.5
375.03265	2.3
390.85565	1.9
437.07324	30.4
438.07648	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	437.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.3
77.68308	1.2
92.35268	1.1
96.75137	1.1
99.92602	2.3
101.02468	1.3
109.02944	1.5
111.03632	1.2
115.92101	1.8
116.92860	3.0
117.03467	1.6
118.83463	1.1
119.05061	1.5
123.00883	1.9
125.02467	1.7
127.98568	1.1
133.03009	1.4
145.02951	3.7
146.03687	1.3
147.04514	4.5
149.99382	1.3
157.02945	1.5
161.02452	2.7
163.03993	1.6
173.02438	5.1
174.03249	1.2
175.03983	5.0
177.01912	7.0
185.02461	2.0
187.03998	1.2
189.01939	4.0
190.02692	2.7
191.03528	6.4
192.00656	1.5
193.01405	1.4
201.01950	8.0
203.03564	10.5
205.01459	8.6
207.02939	3.9
213.01968	1.8
214.02768	1.5
217.01457	12.9
218.02014	2.5
219.03017	10.1
229.01422	13.2
229.06192	1.3
230.02052	2.2
231.02972	7.3
233.00980	2.7
235.02417	3.2
241.01324	1.5
244.00117	3.1
245.00912	22.8
246.01512	2.5
247.02560	7.5
249.04054	3.2
257.00934	16.4
258.01627	5.5
259.02426	2.9
261.00397	5.3
262.00909	2.1
273.00473	15.4
274.01117	5.1
275.01993	59.0
276.02261	4.1
287.01865	1.8
289.00021	2.2
290.00729	8.6
291.01505	99.3
292.01715	6.4
300.99887	4.4
303.01505	3.8
316.99567	6.6
318.00092	4.2
319.00885	1.7
328.99326	3.0
330.00174	1.7
331.00964	2.3
333.02429	1.8
345.99597	5.0
347.00452	73.2
348.00784	6.3
359.00470	7.4
363.03464	1.6
377.01364	2.1
437.03589	100.0
438.04056	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	437.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
87.00911	1.1
125.02453	1.1
134.19250	0.7
147.04532	0.9
159.04558	1.0
160.98351	0.7
161.02429	1.0
173.02454	1.1
175.04024	1.2
189.01999	3.4
190.02725	8.9
191.03387	1.8
201.01944	2.7
202.02695	2.9
203.03465	3.1
206.66451	0.8
213.01915	0.8
217.01318	2.2
218.02193	11.2
219.02933	2.0
222.01743	0.9
228.00684	2.5
229.01396	7.8
230.01843	1.0
231.02933	1.5
245.00912	3.2
246.01698	2.3
247.02470	6.9
256.00079	1.0
257.00937	14.1
258.01553	3.4
273.00354	5.9
274.01215	56.3
275.01971	78.4
276.02301	5.7
291.01575	1.7
317.03030	1.7
389.58780	0.9
437.07278	100.0
438.07578	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	437.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51219	0.3
50.79370	0.3
52.03475	0.3
54.44604	0.3
55.03697	0.3
58.30838	0.3
59.01402	0.4
61.21807	0.2
69.23110	2.4
70.59508	0.3
71.01405	0.9
81.73354	0.4
85.02986	0.4
89.02474	0.3
98.22552	0.6
101.02442	0.5
109.02949	0.3
125.02517	0.5
126.60702	0.3
145.02953	0.5
147.04549	0.4
149.66833	0.3
157.02969	0.3
159.04532	0.6
160.83525	0.4
161.04607	0.5
163.04037	0.6
169.01457	0.8
173.02440	0.6
175.03978	0.9
185.02504	0.7
189.02017	1.1
190.02687	2.1
191.03476	1.4
200.86450	0.3
201.01918	2.8
202.02657	0.7
203.03526	3.3
204.34833	0.3
205.01585	0.5
213.01958	0.3
217.01366	0.5
218.02242	1.7
219.03044	1.6
228.00679	0.4
228.99132	0.4
229.01411	8.3
229.03566	0.5
230.01857	0.7
231.02988	1.3
245.01019	0.5
247.02505	1.1
251.81035	0.3
257.00949	10.8
258.01636	4.0
273.00409	0.6
274.01205	7.9
275.01990	100.0
276.02280	7.0
290.43036	0.4
305.16013	0.4
437.07126	11.5
438.07648	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	437.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
87.00887	2.6
88.56313	0.6
95.25134	0.7
98.95618	1.9
125.02467	1.1
133.02972	1.3
146.03625	1.0
150.29736	0.7
153.01985	1.4
161.02394	0.8
167.76195	0.8
169.01486	2.3
173.02385	1.8
174.03250	0.9
177.02048	0.9
185.02478	0.7
189.01959	6.1
190.02722	15.0
191.03273	1.8
200.01129	1.3
201.01904	2.9
202.02731	3.4
203.03467	2.7
204.17365	0.8
205.01534	1.2
217.01514	2.0
218.02211	16.6
219.02782	2.1
222.01747	1.5
228.00623	4.2
228.83760	1.1
229.01421	8.3
230.02206	0.9
230.99487	0.7
231.02893	0.9
245.00900	3.7
246.01668	2.2
247.02455	3.3
256.00064	1.0
257.00931	13.9
258.01559	2.4
273.00427	9.7
273.03854	1.7
274.01215	100.0
275.01956	58.9
276.02295	4.2
299.02063	1.2
301.00000	1.0
305.03104	0.7
317.03036	5.2
437.07254	94.4
438.07520	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	437.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97354	0.8
51.02376	0.9
51.66067	0.8
57.77792	0.8
59.01360	1.5
65.75055	0.9
66.24303	0.9
69.03414	2.1
69.31200	5.7
71.01389	6.2
72.99323	1.0
73.02956	1.4
79.01878	2.2
81.03456	2.7
82.70592	0.8
83.01376	1.8
84.10574	0.9
85.02945	7.2
95.01385	2.3
97.02938	1.3
101.02463	1.6
107.01382	3.9
107.19020	0.8
108.02187	27.2
109.02972	46.2
110.03313	1.3
111.00835	1.0
113.02472	2.7
123.00898	9.0
123.04487	0.9
124.01699	1.8
125.02454	20.8
126.02701	1.0
128.59349	1.0
135.00891	2.3
138.12070	0.8
139.00391	3.5
140.01128	2.0
141.01953	1.3
146.86905	0.8
151.00374	6.1
151.01382	0.9
152.01169	15.3
153.01953	81.6
154.02274	3.5
161.04538	1.6
163.04057	1.5
167.03447	1.3
168.00606	3.5
169.01447	24.3
170.01755	1.6
179.03467	1.3
189.01985	1.7
190.02689	6.5
193.01404	1.9
193.98560	1.7
202.02756	1.9
203.84232	0.9
211.02490	2.2
211.06090	1.3
218.02209	5.9
222.01874	0.9
223.02682	1.0
228.00648	1.3
229.01454	1.2
257.00797	2.0
267.05157	2.1
271.04718	2.1
274.01233	24.2
275.01813	2.5
283.04651	10.9
285.06140	3.2
305.16104	2.9
331.66446	0.9
393.08240	4.7
419.06174	3.1
437.07275	100.0
438.07510	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	437.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85606	0.6
57.03451	0.7
57.38708	0.7
59.01378	2.2
61.20291	0.6
67.01888	1.0
70.03881	1.6
70.27158	0.6
71.01392	6.9
73.02950	1.3
83.01413	2.6
85.02945	3.2
87.00875	1.0
89.02471	1.7
91.01927	1.4
93.02929	0.6
93.03490	2.4
95.01411	2.5
96.99339	0.9
97.02972	1.2
99.00887	1.0
101.02459	4.3
107.01391	3.0
108.02187	1.7
109.02958	46.2
109.91221	0.7
110.03345	1.2
111.00905	4.4
112.54027	0.6
113.02458	3.0
115.92051	0.7
116.92892	0.6
119.04979	0.6
121.02969	4.2
123.00896	20.4
123.01765	1.2
123.04530	5.9
124.01680	30.3
125.02473	23.0
126.02800	0.8
135.00925	0.9
136.98878	1.1
137.02486	4.0
138.03242	3.9
139.00420	2.0
139.04030	10.7
140.01196	1.2
140.04398	0.9
140.66095	0.5
147.02843	0.7
149.02502	1.5
150.03255	1.8
151.00400	2.9
151.04076	1.5
151.96770	0.7
152.01187	5.1
153.01952	64.3
154.02330	2.2
161.04579	0.7
163.04019	1.1
165.01979	0.6
166.02745	0.9
167.03545	3.2
168.00664	1.2
169.01433	18.8
169.02818	1.1
170.01788	0.9
177.01984	0.8
181.05101	1.2
190.02762	1.3
191.03543	1.3
195.02980	1.9
201.11375	2.5
203.03621	1.0
209.04660	1.8
219.02969	0.7
225.04103	0.8
229.01381	3.0
239.05586	0.9
255.05174	0.9
257.00934	4.5
258.01801	1.3
269.06638	1.0
274.01248	4.9
275.01987	38.8
276.02310	2.4
281.06693	0.8
297.06180	23.1
298.06586	2.0
311.07840	3.5
313.05606	5.5
436.26392	0.8
437.11057	100.0
438.11301	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	437.1093
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
57.03453	1.1
59.01382	3.8
67.01908	1.2
69.03456	0.9
69.06316	1.4
69.06734	3.3
71.01378	4.2
72.99326	0.5
73.02949	1.7
76.10724	0.5
79.01892	1.2
80.76225	0.5
81.03455	0.6
83.01380	2.7
85.02970	2.5
87.00858	0.5
89.02450	1.6
90.94728	0.5
93.03474	1.4
95.01393	2.9
95.05038	0.4
97.02967	1.3
101.02469	2.9
105.03461	0.7
107.01422	4.2
107.05031	0.6
108.02194	1.1
109.02957	3.7
111.00913	2.9
113.02467	2.0
119.03517	1.0
119.05067	0.6
121.02971	0.6
123.00905	18.6
123.04538	21.6
124.01697	2.9
125.02464	29.6
126.02787	1.0
127.00393	1.1
136.98825	1.8
137.02472	2.3
139.00386	9.5
139.04001	1.2
140.01184	8.5
141.02011	2.4
145.80455	0.5
149.02417	0.8
151.00385	13.7
151.03937	0.6
152.01183	0.6
153.01952	5.8
154.02718	0.9
155.03545	3.1
167.03523	1.2
168.00648	3.4
169.01443	22.3
170.01790	1.1
239.05667	0.6
261.48511	0.5
268.90894	0.5
275.01987	3.7
281.06830	1.2
285.09738	1.8
297.06253	1.1
311.07715	0.8
313.05676	2.2
436.25897	0.6
437.10941	100.0
437.26862	1.5
438.11292	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	437.1822
Annotation	Phlebotrichin
Peak:m/z	Relative Intensity
57.03443	5.6
61.98819	2.2
69.03468	9.9
71.01032	2.9
71.01395	38.6
71.05020	3.2
73.02954	7.5
81.03435	3.1
83.01409	4.7
85.02966	28.0
87.00897	2.4
89.02444	2.7
92.05087	4.3
93.20047	2.1
95.01386	19.0
99.00900	3.9
101.02446	20.9
108.02192	53.5
109.02974	86.8
110.03282	4.4
112.49467	2.0
113.02463	17.3
121.71290	2.1
123.00911	12.1
125.02454	4.2
132.04573	16.0
136.04074	3.9
139.11307	32.7
139.61363	1.9
143.03563	3.3
151.04041	2.7
159.03036	3.4
161.04585	36.1
174.05643	6.1
181.64267	2.0
183.10286	100.0
184.10588	4.2
218.04559	2.7
219.07886	5.5
301.08420	3.2
433.83453	2.4
438.13428	4.8
462.56766	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	437.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08381	2.3
55.01896	3.2
58.00618	4.9
59.01097	3.6
59.01387	72.9
61.98829	7.3
63.08499	2.6
65.26189	2.2
66.11060	2.7
69.03474	6.9
69.07683	23.9
69.79739	2.4
71.01388	71.2
72.99301	5.2
73.02947	17.7
75.00884	3.8
81.03465	4.3
83.01404	5.9
85.02963	9.1
89.02457	100.0
97.02970	13.9
97.03508	2.8
98.21925	8.6
99.00900	22.1
101.02454	24.4
109.02979	2.8
113.02468	11.4
115.04025	5.8
125.02475	40.4
131.03516	12.5
135.57956	2.4
143.03561	4.7
143.10800	33.6
149.04585	27.2
161.04526	3.3
168.13228	2.6
169.01357	3.5
185.11842	10.5
191.05711	12.8
210.41550	2.8
233.06683	19.7
234.07147	2.5
293.08841	31.7
301.00082	3.6
400.03104	2.9
431.87350	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	437.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47382	0.7
59.01374	1.1
59.25733	0.7
60.68112	0.6
60.99314	7.2
71.11548	0.7
71.21706	1.8
73.35864	0.8
88.98817	100.0
89.99170	0.9
92.81676	0.7
111.00887	4.6
116.06707	0.7
128.68581	0.7
130.08752	2.4
131.08293	0.8
275.02197	0.9
437.07712	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	437.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34460	0.3
57.91158	0.3
59.01387	3.7
69.12523	3.3
71.01379	1.0
85.02967	1.9
101.02452	0.4
104.09122	0.3
109.02988	1.7
113.02426	0.4
118.49882	0.3
121.06598	0.6
122.03759	6.4
122.04633	0.4
125.02458	0.4
134.03740	6.2
135.04541	12.5
135.08069	0.5
136.05266	1.3
136.63618	0.3
148.05315	10.5
149.06094	36.0
150.06886	15.2
151.07579	1.4
155.10759	0.6
161.04532	0.8
162.06885	2.2
163.07678	6.5
164.04810	4.3
169.01422	0.4
175.07645	1.3
179.10809	1.2
181.12335	2.4
203.14366	0.4
205.12421	2.0
217.12363	1.1
218.13120	7.5
219.13908	6.7
220.14325	0.4
231.13948	0.8
232.14694	100.0
233.15424	42.6
234.15845	2.9
237.14958	1.8
247.13412	8.2
248.13663	0.5
257.15427	0.4
259.17010	0.4
265.14453	3.1
275.16620	1.4
287.16699	0.4
316.54196	0.3
371.21332	0.4
377.19623	0.9
395.20670	0.5
437.21454	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	437.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18661	1.3
59.01382	7.8
70.00365	2.8
70.00752	3.8
73.02908	1.4
83.01406	1.9
85.02947	3.1
85.53939	1.4
98.21793	1.5
98.22323	2.7
101.02457	2.0
107.41367	1.3
109.02922	3.5
113.02487	1.7
122.03700	7.9
133.02969	4.7
134.03781	7.1
135.04546	24.3
136.05273	4.9
143.54604	1.3
148.05353	10.1
149.06097	42.6
150.06894	23.1
151.07747	6.6
161.02469	19.5
161.04594	1.5
162.06883	3.3
163.07663	7.9
164.04785	4.3
165.05493	1.7
179.03493	3.1
181.12329	9.3
183.76888	1.6
190.02722	1.7
201.02126	1.4
203.14362	1.8
205.12303	5.8
215.14445	1.6
218.13156	6.0
219.13924	16.6
231.13870	2.4
232.14697	99.4
233.15463	100.0
234.15828	6.3
237.14920	4.7
247.13382	14.8
265.14496	9.5
275.16443	2.3
291.01276	2.2
350.10211	1.8
377.19641	6.4
419.20758	2.1
437.21762	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	438.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39577	1.5
55.41949	1.7
57.03444	7.3
59.01380	7.1
59.87037	1.8
63.97784	1.5
64.54888	1.6
71.01382	6.2
73.02945	1.9
74.02478	5.1
76.62724	1.8
79.95757	3.3
82.02989	5.5
85.02948	2.3
86.02488	20.4
89.02451	1.8
90.99276	1.6
92.05069	73.6
92.61829	1.5
93.05408	2.7
96.96021	6.3
98.02484	100.0
98.22543	4.1
99.02832	3.5
99.04539	5.7
101.02457	4.6
109.02952	2.3
113.02474	3.1
124.04078	4.8
125.02451	15.5
130.06648	24.4
131.03781	10.5
132.04562	37.9
136.04056	52.8
137.02428	2.8
144.04558	15.1
146.06157	2.4
157.07709	20.5
158.06151	6.1
159.34029	1.7
161.02466	2.5
161.04581	5.7
168.02994	8.4
169.01422	4.8
170.72705	1.6
173.07257	3.9
174.05611	31.7
184.04097	1.7
201.06793	3.0
202.05087	3.5
203.07104	3.4
206.91655	1.9
218.04628	36.6
219.07768	68.8
220.08028	3.8
233.11836	2.8
236.05536	3.2
239.08292	1.9
257.09317	11.8
287.02185	2.1
289.07202	4.9
301.03583	1.8
301.04648	1.8
301.08359	26.1
307.17737	4.9
420.12085	5.7
438.13116	34.9
439.12042	2.7
439.22366	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	438.131
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.4
71.27426	1.2
71.27809	1.3
74.02463	5.0
79.05568	1.0
79.18410	1.0
82.02982	4.7
86.02480	14.7
92.05068	73.6
93.05388	2.3
98.02486	77.6
118.02992	2.6
118.51244	1.0
118.84729	1.2
120.04574	1.5
120.19930	1.1
124.04091	5.4
125.02464	2.4
130.06636	19.4
131.03769	11.4
131.04834	1.6
132.04581	29.0
133.04839	1.3
136.04054	55.2
137.04416	1.7
137.95319	1.0
142.06700	1.3
144.04573	14.9
146.04965	1.7
146.06140	3.5
157.07719	51.0
158.06099	7.3
158.08092	1.8
162.01997	1.9
168.00653	1.0
168.02995	6.0
169.01352	1.2
173.07249	3.4
174.05612	27.7
175.05928	1.4
175.08746	3.7
184.04048	1.6
201.06654	5.1
202.06998	1.5
218.04593	30.8
219.07753	100.0
220.08096	6.2
239.08157	1.3
257.09320	7.8
261.08719	1.4
301.08289	22.4
302.08627	1.3
402.02075	1.7
420.12091	8.8
438.13074	47.3
438.18243	2.3
439.13370	6.4
439.19077	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	438.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74407	3.0
61.98848	27.4
71.26591	5.2
74.02479	11.7
82.02998	8.1
84.00897	4.4
86.02476	4.1
92.05070	90.8
98.02509	29.0
125.02417	2.9
130.06616	18.6
131.03673	2.9
132.03554	4.4
132.04570	93.9
136.04066	100.0
144.04559	6.1
146.06140	3.8
156.03070	16.5
157.07732	6.1
174.05608	26.4
218.04631	31.8
219.07764	38.1
220.08102	4.3
261.25839	3.6
301.08292	10.7
341.07724	3.9
389.79230	3.3
420.11859	7.2
438.13055	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	96.5
59.01386	57.8
60.41259	1.9
63.60564	2.0
64.36543	2.1
67.65562	1.8
68.01406	5.7
69.27113	15.5
71.01386	27.1
73.02947	6.9
81.03463	2.8
82.55141	1.9
83.01385	3.1
85.02962	12.1
85.14681	2.0
92.05070	4.2
96.96041	5.1
97.03020	2.6
98.02509	5.2
99.00870	3.8
99.04533	100.0
101.02458	32.6
113.02448	12.6
119.27219	2.0
125.02466	60.5
132.04509	2.8
135.04547	3.3
136.04053	4.1
143.03488	4.1
147.04529	20.8
160.59721	2.4
161.02489	2.6
161.04576	50.6
169.01402	2.4
188.05653	9.1
203.05620	5.1
218.04581	2.9
219.07611	2.6
230.06764	8.5
234.68663	2.4
276.08743	4.9
294.09961	4.2
300.99844	2.9
336.10645	3.2
356.52179	2.2
358.11642	2.2
438.13535	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	438.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79501	1.4
59.01366	1.7
61.98837	100.0
72.65086	1.5
87.56804	1.7
89.29637	1.5
103.34721	1.5
125.02477	2.1
169.01349	2.8
372.51974	1.7
375.20319	7.5
376.20380	2.6
439.16083	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	438.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	5.7
69.15427	36.2
70.43216	3.5
71.01381	10.8
83.55623	3.9
85.02946	8.2
95.97260	3.8
98.22584	7.7
101.02431	7.0
108.16868	4.6
113.02464	6.5
125.02456	8.0
135.04581	5.4
148.05322	4.9
149.06128	27.8
150.06831	11.8
161.04608	13.4
164.04761	10.6
169.01395	6.8
205.12282	5.2
219.14030	5.0
232.12473	7.1
232.14716	100.0
233.15413	60.2
234.15758	5.4
247.13409	5.0
265.14417	5.1
275.16623	5.3
395.20715	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	438.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09582	0.9
56.37118	1.0
59.01379	1.1
61.98836	100.0
69.40125	7.0
71.01409	1.3
106.57201	0.9
107.01389	3.5
108.02184	1.2
109.03004	1.5
116.14291	1.0
117.03456	1.1
123.00922	1.3
123.73363	0.9
125.02475	10.6
137.02466	1.1
145.02985	1.1
161.02452	1.8
169.01453	13.1
170.01767	1.8
189.01999	1.8
190.02618	1.2
205.01614	0.9
205.05261	1.0
217.01347	1.1
229.01466	1.4
247.02559	1.9
249.04021	1.1
250.62430	0.9
273.00659	1.2
273.21103	1.1
275.02066	1.6
281.81229	1.0
289.07220	2.3
300.99905	9.3
318.00272	1.0
342.34058	0.9
438.03284	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	439.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01374	5.8
61.98832	2.0
66.24535	0.7
69.03442	0.6
69.23071	3.0
69.23477	1.5
71.01384	4.7
71.74375	0.6
72.99323	1.6
78.95914	49.9
79.95681	0.6
83.01400	0.9
85.02940	1.1
87.00895	1.1
88.98811	2.6
89.02459	4.5
95.01405	0.8
96.96053	15.5
96.96972	100.0
98.22536	1.0
101.02461	2.1
107.01384	1.1
111.00875	1.4
113.02469	2.0
119.03522	1.7
121.88760	0.7
123.00887	1.7
124.01689	1.9
125.02463	23.8
126.02724	0.7
126.94376	0.7
131.08255	2.1
133.01442	1.1
139.00400	0.7
168.00673	1.0
169.01442	9.2
173.10481	0.9
179.05666	2.1
211.02501	1.0
258.98911	0.6
271.04648	1.0
287.07782	1.5
313.05786	4.4
341.10941	7.8
342.34604	0.7
439.08884	20.1
440.09174	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	439.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.1
55.17271	0.1
57.03461	0.1
59.01384	0.4
67.01893	0.3
68.99817	0.1
69.03461	0.9
71.01389	0.9
73.02951	0.1
79.01911	0.3
81.03496	0.4
83.01393	0.3
83.75425	0.1
85.02972	0.4
87.00874	0.1
87.63092	0.1
89.02452	0.1
95.01407	0.6
96.96031	0.3
97.02961	0.9
99.00813	0.1
101.02475	0.5
107.01398	3.1
107.94195	0.1
109.02954	0.2
111.00894	0.4
113.02438	0.5
123.00898	2.2
124.01679	1.2
125.02460	100.0
126.02795	3.0
127.00452	0.2
132.40128	0.1
133.02980	0.1
135.04521	0.1
136.98834	0.3
137.02455	0.1
139.00420	0.8
140.01186	0.7
141.01949	0.2
151.00391	1.4
151.03941	0.1
153.01920	0.1
161.02496	0.2
163.04013	0.1
165.01775	0.1
165.68431	0.1
167.03505	0.2
168.00705	0.6
169.01440	14.9
170.01744	0.5
179.03548	0.2
189.01897	0.1
211.02507	0.9
223.02502	0.2
230.06895	0.1
241.03558	0.2
253.03586	0.3
271.04669	1.0
287.07751	20.5
288.08084	1.4
313.05685	9.7
314.06052	0.5
331.06842	0.2
434.37701	0.1
439.08865	29.6
439.18457	0.8
440.09192	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	439.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	7.5
59.14285	0.9
65.35901	0.7
66.07272	0.7
68.96852	4.1
68.97284	3.6
69.03468	1.3
71.01382	3.2
75.05405	0.8
79.01908	1.1
81.03481	1.7
83.01400	3.8
85.02978	1.4
95.01408	1.8
97.02947	1.7
101.02489	1.4
107.01418	5.3
111.00887	1.4
113.02477	1.4
123.00893	9.1
124.01698	11.0
125.02462	96.7
126.02801	2.6
130.73259	0.7
136.98891	1.3
137.02460	1.4
139.00359	2.5
139.04041	1.0
140.01146	2.6
141.01961	0.9
143.06425	0.7
149.02437	2.1
151.00346	4.4
151.04021	1.2
167.03543	2.9
168.00664	3.6
169.01450	53.2
170.01747	2.1
176.96402	0.7
193.01480	0.7
195.28232	0.8
211.02489	7.2
241.03595	1.5
271.04596	7.9
297.06348	1.2
313.05688	27.1
314.06198	1.4
346.32599	0.7
439.08856	100.0
440.09323	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	439.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78905	0.4
59.01371	0.5
67.01912	0.5
69.03461	3.0
71.01393	1.5
79.01898	1.8
79.30759	0.5
81.03465	1.1
83.01407	1.4
85.02955	0.6
95.01407	1.4
97.02943	3.5
97.03493	0.4
98.21752	1.0
101.02502	0.6
107.01405	6.7
111.00926	1.4
113.02448	0.9
120.20715	0.5
123.00893	7.2
124.01685	5.5
124.34996	0.4
125.02466	100.0
126.02773	3.0
127.00414	0.9
135.03024	0.6
136.98802	0.9
137.02499	0.5
139.00403	2.8
140.01190	1.7
141.01936	0.6
150.03297	0.6
150.32875	0.4
151.00414	3.1
151.03999	1.2
161.02405	0.5
165.02002	0.7
167.03493	1.2
168.00690	2.8
169.01450	30.4
170.01772	1.1
195.06697	0.5
211.02539	0.8
228.65001	0.4
241.03568	0.4
253.03552	0.8
259.02582	1.1
267.09378	0.5
271.04657	0.9
287.07690	4.3
297.06021	0.6
313.05661	17.4
314.06091	1.7
439.08847	63.8
440.09283	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	439.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.6
61.02545	0.7
61.98849	3.8
68.21643	0.8
68.96083	8.7
68.96429	1.4
75.73956	0.7
81.03440	3.7
83.01398	4.5
84.84667	0.8
85.02966	2.9
93.03451	2.3
95.01394	1.0
95.05025	1.9
97.02965	5.7
108.02174	4.8
109.02959	20.9
110.03275	0.8
111.00909	1.2
121.02954	3.9
122.03732	1.6
123.00922	1.3
123.04536	16.7
124.01635	1.0
125.02462	36.9
126.02785	0.8
129.23061	0.6
135.04521	2.7
137.01463	1.6
137.02467	23.4
139.04021	3.7
143.76810	0.7
145.02982	5.0
145.52954	0.8
146.03683	1.4
149.02492	6.1
150.03209	1.7
151.04033	8.6
152.01152	2.6
158.03745	1.2
159.04523	4.4
160.05217	1.2
161.02429	2.1
161.06068	5.6
163.03957	0.9
164.01172	3.2
165.01952	17.6
166.02287	1.1
167.03506	6.2
169.59691	0.7
173.06120	1.4
174.03255	1.4
175.03986	2.3
175.07668	1.6
179.03572	4.7
183.04492	0.8
185.06088	1.9
187.04037	5.4
188.04897	3.8
191.01958	1.5
195.76868	0.8
201.05620	1.1
202.06297	1.7
203.07155	10.5
204.07553	1.7
205.05032	6.6
206.05701	1.0
221.08202	4.5
225.05534	1.3
227.07123	2.5
229.05171	1.7
230.05779	1.8
231.02837	0.8
243.34084	0.7
245.08218	15.6
246.08588	1.1
247.06122	1.3
248.99966	0.8
253.05052	3.2
256.03754	0.9
269.26044	0.8
271.06152	8.9
272.06354	0.9
273.07666	2.1
285.07681	3.0
289.07199	100.0
290.07532	7.7
301.03381	1.0
351.12277	1.0
396.23886	0.8
439.10629	1.3
457.97900	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	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07723	0.9
55.01890	5.2
57.03432	5.2
58.00600	2.7
59.01384	58.6
64.50134	1.1
69.03451	4.0
69.07484	10.7
69.85271	1.0
71.01389	93.0
72.99306	4.4
73.02953	28.6
75.00886	2.6
82.26691	1.1
83.01395	14.8
85.02959	38.1
87.00875	4.5
88.77052	1.1
89.02451	40.0
95.01396	6.9
97.02954	4.6
99.00890	20.7
99.04496	1.4
101.02454	90.3
102.65218	1.0
111.00871	2.3
113.01731	2.2
113.02463	33.6
115.04025	3.8
117.03461	1.2
119.03537	7.5
123.00913	2.3
125.02465	15.5
131.03545	5.3
133.02971	1.4
135.88403	1.0
143.03499	4.5
145.03021	2.0
149.04576	8.9
151.16809	1.2
159.03023	6.7
159.04214	1.4
161.04572	36.3
163.00359	1.7
163.04099	1.5
169.01419	7.9
177.01796	1.0
179.05566	2.2
179.09775	1.2
186.55307	1.1
186.57103	1.1
189.02043	1.2
190.02623	1.3
191.03516	2.1
191.05608	2.5
217.01440	2.0
231.03017	1.6
233.06642	7.7
245.00813	1.4
247.02509	4.1
273.00424	2.7
275.02005	2.7
293.08813	2.8
298.98499	1.1
299.99197	1.1
301.00061	5.4
307.17661	100.0
308.17972	8.9
339.01703	1.3
393.02719	1.6
439.03073	7.6
439.21872	84.8
440.22214	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	439.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66091	1.0
52.30739	1.0
55.01876	7.7
56.48957	1.1
57.03450	4.6
58.00587	3.1
59.01385	59.3
60.01732	1.5
62.60977	1.1
68.79378	1.0
69.03465	1.9
71.01390	93.9
71.26418	1.2
72.01710	1.7
72.99311	5.0
73.02957	34.0
75.00890	3.3
79.34917	1.0
81.03460	1.9
83.01399	15.2
85.02960	37.4
87.00891	4.9
89.02456	47.3
95.01398	9.1
97.02963	5.9
97.56955	1.0
99.00894	20.6
101.02453	85.7
102.02790	1.6
107.01413	2.7
111.00910	3.0
113.02464	31.7
115.04025	4.3
119.03503	7.1
123.00916	3.0
125.02477	18.6
131.03490	6.1
137.02501	1.7
139.00294	1.4
140.01108	1.8
143.03513	4.7
145.02965	1.9
145.12392	1.7
147.04483	1.7
149.04561	7.4
155.03572	1.5
159.03033	6.9
161.02431	3.3
161.04575	35.2
162.04970	1.5
163.00404	1.5
163.04063	1.3
166.99870	1.7
169.01445	10.1
170.01715	1.1
173.02464	2.0
175.03961	2.3
179.05615	1.3
189.01888	1.3
191.03522	3.1
191.05637	3.2
193.06560	1.1
203.03517	1.7
205.03540	1.5
217.01381	2.1
218.99539	1.1
229.01448	1.6
233.06648	6.6
245.00914	1.9
247.02481	5.3
270.98938	1.6
273.00443	4.0
275.01996	2.5
276.99088	1.1
291.01486	1.5
293.08841	3.4
299.99039	1.6
300.99817	6.1
307.17654	100.0
308.17929	7.9
363.03571	1.6
439.02930	7.9
439.21887	97.8
440.03290	1.7
440.22348	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	439.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01710	1.6
69.23660	1.1
69.90109	0.9
71.01383	12.0
71.26313	1.7
73.02935	3.9
73.23228	1.0
83.01382	2.8
85.02950	6.8
89.02443	3.6
101.02453	9.7
113.02479	3.7
119.03540	2.0
152.46962	0.8
161.04585	7.1
163.62077	0.9
286.61453	0.9
353.90414	1.0
397.22339	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	439.2342
Annotation	Spinanine A
Peak:m/z	Relative Intensity
58.20654	1.1
58.60405	1.3
59.01380	13.6
67.01874	1.9
68.01482	1.2
70.03313	2.6
70.03701	2.7
71.01381	3.4
73.02953	1.9
82.86913	1.2
83.01386	1.9
86.87051	1.1
89.30291	1.1
95.01374	2.7
98.21906	1.5
101.02464	2.8
102.08815	1.2
107.01414	2.8
111.00895	3.4
113.02446	1.4
123.00903	21.9
124.01740	1.2
125.02460	14.0
127.00304	1.3
129.51474	1.6
139.00375	8.8
140.01141	3.2
141.01944	2.8
147.15523	1.1
151.00391	27.7
152.00626	1.3
169.01414	9.8
179.81754	1.1
184.57961	1.1
269.21332	1.5
287.22305	39.5
288.22617	2.9
397.22247	1.4
421.22455	12.3
422.22934	1.5
439.23376	100.0
440.23737	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92150	3.8
68.94345	3.9
70.47598	11.0
74.32697	3.9
77.30110	3.9
78.92039	3.6
91.98327	3.8
120.09674	4.3
145.10590	100.0
146.10919	4.8
164.03079	4.9
200.07591	3.8
310.16089	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	439.3432
Annotation	Passifloricin A
Peak:m/z	Relative Intensity
50.25740	0.9
63.98269	1.1
80.46229	1.0
91.45355	0.9
98.21704	2.4
116.92887	1.4
125.02474	1.4
126.96730	0.9
133.82130	1.0
135.90642	1.0
150.87000	1.0
157.73088	1.0
169.01477	1.1
233.82011	0.9
249.29300	1.1
297.98450	1.1
359.33246	20.1
360.33557	2.3
377.33963	2.1
403.32150	6.7
417.45544	1.3
421.33350	8.5
439.34308	100.0
440.34665	11.3
460.78256	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	440.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.1
61.37853	12.2
63.58708	11.5
69.06893	100.0
71.01394	13.5
100.92004	12.2
103.64191	12.6
127.31005	15.8
166.50912	12.9
169.01414	13.2
173.83226	12.8
195.14050	11.8
203.03447	12.7
213.14931	32.7
305.62863	13.1
340.46686	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	440.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	67.4
62.63479	11.6
70.87537	11.4
71.01372	12.5
88.98808	53.9
98.21746	23.5
125.02465	92.6
137.02457	22.9
169.01437	100.0
176.29691	16.1
193.08443	18.1
233.11557	20.2
236.14725	12.4
276.53970	12.2
289.07239	42.1
380.63608	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96414	0.5
66.09159	0.3
71.01382	0.6
71.25640	0.5
78.95911	94.4
85.02953	0.8
96.96971	100.0
99.93221	0.2
121.37104	0.3
138.98039	9.2
150.98032	2.9
153.73412	0.3
158.92557	12.4
161.72545	0.3
168.99101	1.6
174.98033	0.6
176.93636	1.4
180.54027	0.3
192.99098	3.7
211.00163	9.5
212.00365	0.4
212.93771	0.3
214.29724	0.3
229.01199	42.3
230.01588	1.1
230.94698	1.7
234.01758	0.3
248.27769	0.3
269.32352	0.3
290.96841	1.5
330.02023	0.3
380.99933	1.2
395.88443	0.3
422.91727	0.3
441.02039	22.6
441.06946	1.0
442.02435	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	441.0829
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
57.03455	2.5
69.03466	1.3
78.74365	0.5
81.03451	1.7
83.01397	1.4
95.01388	0.8
95.05034	1.8
97.02938	2.8
107.01401	2.0
108.15659	0.6
109.02968	8.2
111.00887	1.3
121.02979	1.4
123.00893	1.5
123.04546	5.2
124.01620	0.7
125.02462	61.8
126.02805	1.5
136.98843	0.8
137.02458	7.0
139.00395	1.3
139.04045	1.5
140.01146	0.8
145.02968	3.0
149.02409	2.6
151.04057	4.9
155.79030	0.5
159.04565	1.3
161.06119	3.1
164.01166	1.3
165.01961	1.9
166.99893	1.1
168.00674	1.7
169.01442	100.0
170.01761	2.8
173.06033	0.7
175.03970	1.2
175.07613	0.8
179.03505	2.2
185.06059	0.8
187.04054	2.3
188.04796	1.6
193.01419	5.2
193.81613	0.5
202.06325	0.6
203.07132	6.0
205.01364	1.1
205.04973	2.7
221.08170	1.1
227.07161	1.3
245.04515	0.7
245.08223	6.8
247.06004	0.7
253.05049	1.0
254.78781	0.6
259.06146	1.5
271.06192	3.8
289.07193	38.4
290.07611	3.5
303.05133	2.1
304.54047	0.5
331.04648	2.4
397.09198	0.7
441.08368	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	441.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23472	0.5
52.49223	0.5
55.01881	0.5
57.03461	2.9
59.01389	1.1
67.01884	0.8
69.03455	1.9
71.01404	1.2
76.78783	0.5
81.03470	2.8
83.01408	1.5
85.02944	0.8
93.03460	0.8
95.01392	0.8
95.05065	1.1
96.96034	2.4
97.02945	3.9
102.47304	0.5
107.01399	2.8
108.02174	0.6
109.02960	11.0
111.00896	1.0
119.05054	0.6
121.02955	2.2
123.00918	2.1
123.04537	6.9
124.01691	0.9
125.02463	72.2
126.02824	2.5
137.02460	9.0
139.00394	1.4
139.04037	1.1
140.01178	1.3
142.58165	0.5
145.02980	2.6
149.02483	3.0
150.03137	0.7
151.04007	5.3
153.01898	0.8
159.04530	1.6
160.05325	0.7
161.02461	1.1
161.06065	3.1
162.03201	0.8
163.04053	1.3
164.01154	1.9
165.01942	2.2
166.99844	0.9
168.00665	1.4
169.01443	100.0
170.01791	3.8
175.03951	1.2
175.07642	0.8
179.03467	2.8
185.06078	0.6
187.04050	2.1
188.04706	0.8
193.01428	5.6
199.07684	0.5
202.06305	0.6
203.07164	5.2
205.05090	3.2
221.08333	0.8
227.07210	1.1
245.08174	5.7
253.05223	1.2
259.06140	0.9
271.06134	4.2
287.05640	0.6
289.07208	38.3
290.07495	3.4
303.05087	1.8
315.04990	0.6
331.04654	2.2
392.33423	0.5
397.09286	0.9
441.08279	4.4
441.13364	1.2
441.18472	1.0
442.08307	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	441.1407
Annotation	Yadanziolide B
Peak:m/z	Relative Intensity
57.03428	0.9
59.01379	1.6
61.98835	4.8
62.52799	0.9
69.03443	3.5
69.13520	6.8
71.01361	0.8
81.03441	1.8
83.01385	2.2
83.05016	2.1
85.02956	5.7
95.01371	2.1
97.02984	3.9
98.22578	1.8
107.01389	3.0
109.02950	2.4
123.00903	7.6
123.04545	1.2
124.01680	19.4
125.02462	75.4
126.02791	2.5
137.02438	3.0
149.99603	36.9
151.00325	2.8
151.04002	1.4
167.03517	1.2
168.00661	65.9
169.01456	21.1
184.94849	0.9
190.46236	1.1
191.01868	1.9
209.02991	2.5
270.98776	1.2
271.06113	1.0
289.07190	4.4
297.27301	1.1
298.98169	1.5
313.05646	2.1
314.00623	1.7
320.96466	1.2
329.02930	2.4
335.98944	1.7
382.99933	1.1
423.12799	3.8
438.48782	0.9
440.31308	2.4
441.13910	100.0
441.31107	4.4
442.14392	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	441.1772
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01876	0.9
57.03452	0.4
59.01385	2.7
60.44876	0.2
61.98843	0.3
65.00343	0.3
65.19784	0.2
67.01891	1.0
68.99826	0.5
69.03458	0.7
71.01389	4.8
72.99323	0.8
73.02955	1.3
75.00886	2.2
79.01886	1.3
83.01384	1.5
85.02962	3.1
87.00885	0.8
89.02447	0.4
93.03491	0.3
95.01398	2.2
96.99302	0.3
97.02965	0.8
99.00891	0.9
101.02448	2.7
107.01403	6.3
107.02072	0.5
110.00108	0.5
111.00893	2.6
113.02457	1.6
117.03476	0.2
123.00903	15.4
124.01720	1.1
125.02463	25.8
126.02824	0.7
127.00414	1.2
127.11324	0.4
129.01973	1.2
132.26414	0.2
133.42032	0.3
135.04529	0.3
136.98827	1.6
137.02455	0.6
139.00391	5.3
140.01189	4.2
141.01982	1.9
151.00386	10.4
151.04025	0.5
153.01950	0.5
154.99907	0.3
159.03011	0.6
161.46671	0.3
163.04007	0.3
168.00674	3.3
169.01447	33.6
170.01807	1.5
177.04062	8.1
179.03493	0.3
181.05081	0.3
204.04359	0.3
211.02470	0.9
253.03590	0.3
289.07162	0.4
311.03851	0.3
313.05826	0.6
329.05066	2.0
441.17688	100.0
442.18005	10.5
464.26282	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	441.2136
Annotation	Jatamanvaltrate G
Peak:m/z	Relative Intensity
57.03454	10.0
57.72460	1.6
58.00592	3.6
59.01383	81.7
61.98822	2.3
71.01389	57.1
71.05003	3.6
71.27215	2.5
72.99307	7.0
73.02917	2.3
78.45755	2.1
83.01381	2.8
85.02956	12.4
87.00878	2.4
89.02454	42.2
95.01386	3.2
98.62679	2.1
99.00877	2.6
101.02448	38.5
113.02464	19.4
119.03495	21.5
125.02435	5.4
130.90170	1.7
147.11829	7.7
167.09612	2.3
169.01488	3.8
194.58046	1.6
211.68854	1.6
245.49065	1.9
248.89819	1.7
261.14899	9.6
263.16608	5.0
300.99799	2.3
335.05679	2.0
361.54034	1.9
441.21310	100.0
442.21753	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.9
59.01385	100.0
60.01699	1.4
63.11073	1.0
71.01392	19.2
73.02952	8.9
83.01385	4.1
83.38261	0.9
85.02961	6.0
87.00916	1.2
89.02455	10.8
95.01398	1.3
99.00894	1.8
101.02457	17.6
113.02472	8.0
119.03518	6.6
125.02480	1.0
131.03491	1.5
143.03499	1.5
161.04549	4.0
179.05594	2.3
201.05974	0.8
208.90288	0.9
250.97188	1.0
340.01608	0.9
346.36255	0.9
391.33472	0.9
399.23819	2.1
407.40628	1.0
469.19623	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	441.2497
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.68635	0.6
58.00621	1.0
59.01384	100.0
61.44999	0.6
71.01388	20.3
71.26191	0.8
72.99323	1.0
73.02950	10.4
73.03322	0.8
75.66230	0.6
76.72366	0.6
83.01384	3.4
83.84744	0.6
85.02122	0.7
85.02951	5.2
87.00902	0.8
89.02452	11.5
91.96853	0.6
99.00916	1.5
101.02449	15.5
113.02460	7.6
119.03501	5.5
131.03548	1.1
143.03549	2.1
149.04688	0.7
161.04538	3.2
179.05698	2.8
381.23123	0.7
399.24155	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	442.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74899	2.0
59.01385	36.9
69.48991	1.9
71.01387	39.9
73.02940	7.5
85.02957	4.1
87.00895	5.0
89.02453	62.7
92.05090	3.5
98.22520	5.0
99.00887	20.1
101.02449	13.1
113.02477	11.0
116.05037	3.7
118.02990	3.9
120.04569	4.4
125.02451	5.5
131.03542	11.7
132.04585	13.4
144.04555	16.9
146.02490	41.0
146.03557	3.5
146.06168	2.7
147.03302	32.0
148.04012	4.1
149.04568	28.6
158.06166	6.4
159.03281	2.7
159.04564	2.8
160.04056	100.0
161.04440	6.8
167.03564	2.0
169.01488	2.6
172.04056	20.2
174.05620	9.2
178.05156	7.2
179.02271	5.9
184.04056	2.8
185.04810	3.8
186.05611	9.2
191.05623	9.0
202.05176	11.3
205.05078	2.1
214.05128	17.2
222.04086	4.7
229.04402	2.4
232.06146	2.7
244.02341	3.3
247.02402	2.8
251.07925	2.3
276.12271	2.1
310.09323	2.5
311.09769	2.1
384.09506	3.1
442.13577	94.4
443.13556	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	442.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	21.2
61.98826	5.5
68.98190	58.5
71.01380	13.0
77.01228	5.4
88.04040	11.7
101.02451	6.7
111.08215	7.2
115.07722	5.7
123.00913	13.7
125.02467	52.2
139.00446	6.6
139.92049	6.0
150.75978	5.7
151.00328	5.8
151.03955	7.2
169.01396	38.5
170.01753	11.5
249.10666	5.5
303.05060	8.0
375.20258	9.9
397.18335	10.6
400.97717	6.4
442.18069	100.0
442.24072	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	442.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35393	15.8
51.63864	14.6
59.01367	40.7
61.98812	18.9
69.21877	100.0
69.22293	25.5
71.01385	39.1
101.02414	22.5
144.52940	14.6
361.59058	18.8
399.23682	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02974	11.7
51.70914	9.8
59.01389	100.0
59.20301	9.8
65.96410	10.2
67.87839	10.9
71.01386	77.5
71.27494	18.1
71.77158	8.8
82.69544	10.5
85.02957	19.5
87.00858	10.8
89.02458	75.8
95.01424	31.9
101.02459	44.6
107.01334	11.1
113.02451	15.8
115.94861	9.9
119.03526	28.1
121.02948	32.7
123.00901	57.7
125.02453	46.8
131.64487	10.3
151.00371	15.2
161.02490	12.5
166.99881	18.4
169.01480	63.8
189.01976	10.7
190.76414	10.9
217.01419	12.0
235.20306	10.1
247.02556	18.0
270.98935	12.6
273.00568	20.2
300.99936	37.7
330.68039	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	442.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.6
69.21690	100.0
69.22099	32.8
71.14552	15.2
85.02935	20.1
85.52943	16.3
90.64701	15.6
98.22589	26.0
169.01436	48.3
177.01811	21.7
291.98941	17.8
313.10919	16.0
442.24146	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	443.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28416	3.9
59.01382	30.4
63.98695	3.3
67.01891	4.4
69.03457	5.1
71.01399	18.7
71.27276	5.7
79.01904	7.1
85.02952	8.1
89.02454	20.6
95.01405	34.5
97.02975	4.7
101.02464	8.8
107.01392	15.9
108.34981	3.8
108.74422	3.2
113.02431	8.6
119.03530	6.1
121.02969	75.4
122.03350	4.3
123.00906	82.5
125.02460	82.6
133.02902	3.4
135.04549	17.4
139.00394	14.8
140.01158	8.7
141.01976	9.4
145.02890	7.8
151.00378	10.0
159.04488	3.6
161.02419	10.5
163.00342	4.0
163.04013	6.0
166.99875	41.7
168.00620	12.2
169.01451	100.0
170.01787	6.8
173.02458	6.6
175.03966	5.9
178.05058	5.4
189.01962	10.5
189.40964	3.9
191.03470	6.5
200.01146	4.4
201.01921	11.1
203.03609	3.9
205.01326	4.4
217.01494	9.1
226.99867	4.0
229.01486	9.3
235.02507	5.3
245.00952	21.1
247.02451	7.5
258.01450	4.1
261.76465	4.1
270.98923	5.4
271.99612	7.1
273.00537	18.5
275.01987	8.4
282.11386	38.9
283.06879	3.6
297.01678	4.1
298.98273	8.0
299.99234	5.4
300.99939	52.9
302.00314	9.3
350.03427	4.6
407.05328	3.8
415.04715	4.2
429.04651	4.4
460.60019	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	443.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37786	1.4
57.03453	20.1
59.01372	2.8
67.01884	1.7
69.03463	2.4
69.53572	9.1
79.26840	1.3
81.03469	7.9
83.01385	9.1
83.05030	1.5
93.03490	4.1
95.05054	3.7
97.02948	6.6
109.02957	35.0
109.06621	4.5
111.00893	4.2
117.03446	1.7
121.02975	3.7
122.03742	1.5
122.78296	1.3
123.04525	16.7
124.01675	1.5
125.02460	96.1
126.02803	4.2
127.07666	41.6
135.04552	4.0
135.08141	1.7
137.02457	75.4
138.02814	2.6
139.04027	4.6
142.34041	1.3
145.02969	20.4
146.03691	3.3
149.02414	10.7
150.03227	2.0
151.04027	12.7
151.07620	1.4
159.04521	12.3
160.05339	1.9
161.02481	6.3
161.06094	14.6
163.03957	2.6
164.01170	3.0
165.01962	3.5
167.03563	1.5
169.01363	1.7
171.01840	1.6
171.06656	28.4
171.08073	3.2
173.06097	1.6
174.03210	1.8
175.04015	3.0
179.03508	8.5
181.12442	1.6
183.04543	2.2
184.05188	1.7
185.06099	8.1
187.04056	10.1
188.04771	5.8
200.47977	1.4
201.05638	5.5
202.06381	3.0
203.07126	23.2
204.07500	2.2
205.05115	9.5
209.06128	4.2
211.04153	1.6
221.08191	3.6
227.07104	7.3
229.05098	4.1
230.02237	3.4
230.05766	2.3
243.06653	2.4
245.08200	22.9
253.05052	11.6
254.05544	1.7
271.06131	36.3
272.06403	3.0
289.07205	100.0
290.07535	9.1
293.10327	15.5
305.10321	3.7
313.14459	10.2
326.60822	1.5
337.14606	2.0
339.12445	3.8
355.15509	10.7
381.13412	9.7
399.14496	16.4
400.14801	2.5
443.13336	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	443.1564
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
55.01876	0.9
57.03463	0.5
59.01382	3.9
60.93686	0.3
61.98863	0.3
62.46482	0.3
67.01892	1.1
69.03453	0.6
69.14945	1.0
69.15362	1.7
69.25511	0.3
71.01385	6.0
72.99300	0.8
73.02959	1.7
79.01894	1.4
83.01376	1.9
85.02952	2.9
86.00120	0.3
87.00868	1.5
89.02449	1.1
95.01395	2.2
96.99299	0.4
97.02942	0.9
98.21767	0.6
99.00886	0.6
101.02470	3.4
107.01398	5.6
109.02952	0.4
111.00871	2.5
112.98579	0.4
113.02483	3.1
113.94320	0.3
118.49472	0.3
121.06637	0.4
122.36863	0.3
123.00901	17.4
123.04488	0.3
124.01666	1.2
125.02458	21.4
125.20751	0.3
126.02776	1.0
127.00386	1.1
129.09248	0.5
136.98837	2.1
137.02510	0.4
137.53772	0.3
139.00398	6.1
140.01190	3.8
141.01964	3.1
149.02429	0.5
151.00391	12.7
151.04012	0.4
152.00720	0.4
153.01933	1.2
165.01917	0.4
168.00659	4.3
169.01447	27.5
170.01743	1.9
171.01871	0.8
179.03479	0.4
181.05017	0.4
206.59944	0.3
207.10164	0.5
211.02496	1.0
219.14043	0.4
222.12685	0.4
237.14954	0.4
245.08148	0.3
253.03687	0.5
271.04620	0.5
281.13910	1.0
289.07321	0.5
291.07828	0.5
297.06088	0.5
298.10965	0.4
312.12332	0.3
313.05585	1.9
443.15604	100.0
444.15891	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23323	0.6
55.01871	1.7
57.03440	1.9
58.00600	1.1
59.01387	40.0
60.55169	0.6
69.09078	1.3
69.09472	4.5
71.01391	28.7
72.99303	1.8
73.02962	4.0
82.63123	0.5
83.01378	2.8
85.02966	8.1
87.00882	1.7
89.02459	18.6
95.01395	3.9
99.00875	1.4
101.02452	21.2
106.86267	0.6
111.04530	1.1
113.02469	9.4
116.60961	0.7
119.03520	6.9
123.08147	0.8
125.02474	1.7
131.03482	0.8
134.65576	0.7
161.04581	1.7
171.11847	0.7
189.12871	1.8
203.54930	0.7
219.13876	0.8
443.19272	100.0
444.19632	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	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
57.03441	2.1
58.00596	1.6
59.01386	32.4
64.32381	0.7
69.48276	3.8
71.01388	29.9
72.99317	1.9
73.02964	4.7
75.00864	0.8
76.30788	0.7
81.03436	0.6
83.01392	4.4
83.05043	1.0
83.42575	0.8
85.02956	9.0
87.00882	2.1
87.85698	0.8
89.02451	17.7
95.01405	2.1
99.00875	2.5
101.02451	20.0
102.02831	1.0
113.02467	10.9
119.03503	8.5
121.06615	1.0
125.02454	4.2
161.02444	0.9
161.04561	2.5
163.90714	0.7
167.03535	2.2
169.01416	1.4
171.11864	0.8
189.12863	2.1
205.05067	1.9
219.13898	1.1
231.02922	0.9
237.15157	1.3
366.30731	0.7
381.05899	1.1
399.07721	0.8
443.07034	3.4
443.19238	100.0
444.19559	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	443.1934
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
59.01390	3.4
61.45474	0.8
63.16298	0.7
65.00332	0.9
68.97147	0.8
68.97537	7.3
71.01383	5.0
72.99313	0.9
73.02946	1.5
73.93098	0.6
79.01910	1.0
83.01402	1.7
85.02958	3.2
93.03445	1.4
95.01391	2.6
97.02972	1.0
99.00905	1.1
101.02424	2.4
107.01416	3.8
111.00891	3.6
113.02443	1.3
123.00897	17.6
125.02460	15.2
127.00357	1.0
136.98822	1.6
139.00375	6.6
140.01170	4.1
141.01923	2.3
151.00374	10.6
153.01834	1.0
168.00635	5.6
169.01450	18.1
170.01688	0.9
172.05080	0.7
198.33209	0.9
211.02635	0.8
212.65105	0.7
327.21841	1.4
412.84479	0.9
434.98456	0.8
443.19247	100.0
444.19611	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	443.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03407	3.5
70.04453	3.6
71.05756	5.7
75.63693	3.1
109.55626	3.8
112.12421	3.7
127.83714	3.5
136.54274	3.0
156.32828	3.0
159.08432	3.4
170.99419	3.0
189.75424	3.8
213.30138	3.5
243.28329	3.9
295.42068	3.7
359.15381	100.0
360.15668	18.3
427.21613	58.5
428.21585	9.8
443.24786	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	444.094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28537	0.5
59.01376	0.8
60.85051	0.5
69.13490	4.3
81.46346	0.4
84.13651	0.5
86.36961	0.4
87.17612	0.6
91.36485	0.5
98.22154	2.4
125.02477	0.7
139.66725	0.5
140.05006	0.7
153.05910	1.0
154.06644	1.4
166.06667	0.9
168.04581	0.8
169.01398	0.6
180.04581	1.0
181.05341	2.1
182.06172	3.3
196.04033	0.8
197.04778	3.3
198.05411	0.9
207.03233	0.7
209.04727	0.8
210.05592	5.0
212.03412	0.7
224.03432	0.6
225.04333	4.7
226.04866	0.6
236.03545	3.1
238.05182	0.8
252.02975	1.2
253.03809	3.0
254.04610	1.0
264.03006	8.7
265.03662	1.9
266.04315	0.5
280.02597	1.9
281.03314	100.0
282.04056	77.5
283.04382	6.5
329.96530	0.6
334.42618	0.6
444.09399	70.2
445.09695	9.8
456.20795	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	444.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12425	0.3
59.01432	0.4
67.20281	0.3
68.39595	0.3
69.33008	2.1
78.83218	0.3
82.80432	0.3
89.02546	0.3
92.05145	0.4
98.02577	1.4
98.22552	0.3
105.38023	0.3
125.02491	0.4
130.06682	0.5
136.04156	0.4
140.05133	0.5
142.06607	1.7
153.05902	0.4
154.06665	1.7
154.79347	0.3
166.06685	0.9
168.04669	0.4
177.90338	0.3
180.04550	0.7
181.05447	0.8
181.48929	0.3
182.06119	5.2
183.06587	0.4
196.04051	0.4
197.04871	1.0
198.05692	0.9
198.82892	0.5
207.03253	0.4
208.04042	0.8
209.11731	0.3
210.05620	6.4
211.06006	0.6
220.04083	0.4
225.04317	2.3
225.06189	0.3
226.05186	0.7
236.03604	2.1
238.05168	1.0
250.38332	0.3
252.03008	0.7
253.03810	1.4
254.04585	1.2
263.08032	0.9
264.03012	4.9
265.03766	2.2
266.09952	0.3
280.02509	0.4
281.03305	34.2
282.04074	100.0
283.04428	7.7
300.99939	0.5
400.12610	0.5
444.09241	25.4
445.09433	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	444.118
Annotation	C646
Peak:m/z	Relative Intensity
59.01365	1.7
75.93742	0.9
76.12897	1.0
92.05065	8.6
96.00918	1.3
98.02490	34.0
98.22546	2.7
112.04070	7.0
113.02377	1.4
116.05042	4.0
126.01254	0.9
129.05807	1.5
130.06633	11.7
131.05112	0.9
135.32098	0.9
136.04079	6.0
142.06642	52.1
143.06949	1.9
146.06094	3.3
157.07718	1.2
159.05696	1.1
161.04803	2.4
162.02011	5.1
173.07178	1.8
174.05591	10.3
176.03320	2.6
176.07071	2.2
178.01189	3.3
185.07190	1.2
186.05630	7.2
190.01286	1.3
203.08191	1.1
217.07425	1.1
218.04562	6.5
220.02287	1.7
223.08734	2.9
224.07014	1.0
225.06425	4.6
240.01057	1.1
253.05989	5.5
263.08032	13.9
264.08261	1.3
271.06989	6.3
285.08496	1.0
294.03140	0.9
297.04852	5.4
307.07117	5.4
315.06000	3.3
322.07187	5.1
400.12744	7.6
444.11691	100.0
445.12009	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	445.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03779	0.6
59.01388	4.6
61.98819	0.9
63.02388	2.4
65.00327	4.5
71.01374	2.8
71.02548	0.5
71.26933	1.0
73.02956	1.1
73.31932	0.6
83.01397	3.5
85.02950	1.8
89.02446	5.0
93.03477	0.6
99.00886	1.8
101.02441	2.6
107.01398	8.5
113.02457	1.4
121.02937	1.0
123.00848	0.7
125.02479	8.9
126.02814	1.1
131.03592	1.0
133.02971	1.4
135.04549	1.0
145.02945	3.0
147.04510	2.3
149.04535	1.4
151.00392	28.8
152.00703	1.3
153.01915	1.2
159.04489	1.6
161.02448	8.6
161.04471	1.3
162.03220	1.7
163.00410	1.2
163.04010	4.4
169.01466	6.2
171.04594	0.8
173.02394	1.5
174.03244	0.8
175.04079	3.0
176.06564	0.6
178.99872	15.4
179.03532	1.0
183.04567	0.8
187.00354	1.0
189.01909	3.6
191.03506	3.0
192.00665	1.2
199.04010	1.4
201.02008	1.2
203.03557	2.4
203.55893	0.6
209.11755	0.6
211.04008	1.5
217.01456	1.4
221.04512	1.2
223.04054	1.2
223.13318	0.7
225.05507	0.7
226.02812	0.7
227.03511	3.0
229.01451	0.8
229.05040	1.5
231.03072	1.4
241.05130	1.7
242.02246	0.9
247.02560	1.4
251.03558	1.7
255.02919	1.0
256.03690	1.2
257.04626	1.1
267.02979	1.8
269.04559	2.8
270.01807	0.8
271.02432	2.1
275.01923	1.3
279.03040	1.7
283.02460	1.5
283.06332	0.7
283.15524	1.1
284.03244	1.3
285.04053	1.4
295.02509	8.0
296.03110	2.2
297.04047	8.7
298.01279	1.5
299.01944	1.9
300.02814	1.1
301.00040	1.0
301.03568	1.9
309.04211	0.8
311.01978	2.3
313.03561	8.1
314.04016	1.4
323.02029	10.0
324.02512	1.3
325.03568	0.9
327.01508	8.2
327.05078	0.8
341.03052	25.5
342.03467	1.8
353.03131	1.0
355.04648	2.8
373.05402	2.2
383.03613	1.2
402.40457	0.6
445.07782	100.0
445.20761	2.0
446.08112	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	445.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43380	0.5
56.58181	0.5
57.03453	0.6
59.01394	4.6
60.52797	0.5
61.98838	0.7
63.02386	2.8
65.00327	5.0
71.01389	3.6
71.25792	0.7
73.02955	1.1
74.05397	0.6
83.01392	3.9
85.02946	1.5
89.02452	4.6
91.37008	0.6
93.03471	0.6
95.01378	0.6
99.00873	0.8
101.02473	2.7
101.09055	0.7
107.01405	9.6
113.02435	1.2
113.33240	0.5
119.33154	0.6
120.38410	0.5
121.02957	0.9
123.04627	0.6
124.01624	0.5
125.02465	9.1
133.03011	1.5
135.04533	2.1
137.02426	1.2
145.02963	2.8
147.04543	2.2
149.04509	1.0
151.00380	32.1
152.00806	1.0
153.01961	1.0
159.04391	1.0
160.01653	1.1
161.02475	8.0
162.03195	1.5
163.00394	1.1
163.04028	4.5
169.01448	5.6
173.02454	1.7
174.03172	0.7
175.03993	2.5
178.99864	15.3
179.03526	0.8
185.06137	0.7
187.00375	1.4
189.01945	4.4
189.60143	0.6
191.03532	2.6
192.00630	1.3
193.01418	2.1
199.03981	1.8
201.01898	0.7
203.03545	2.4
205.01323	0.7
211.04007	0.9
213.01947	0.6
213.05498	0.8
215.03464	0.9
217.01424	0.9
217.05002	1.0
219.06532	0.6
221.04536	1.1
223.04065	1.0
223.13344	1.4
226.02811	0.6
227.03621	3.3
229.01350	1.0
229.05087	0.6
231.03078	1.2
239.03488	0.7
241.01469	0.9
241.05049	1.4
243.02924	1.3
245.00911	1.2
247.02341	0.8
251.03554	1.9
253.05002	1.3
255.03065	1.7
256.03903	1.0
257.04538	0.9
258.65265	0.6
267.03003	2.0
269.04593	2.4
270.01801	1.0
271.02548	2.0
273.04047	0.8
275.01941	0.8
279.03021	1.7
280.03757	1.2
283.02603	1.3
283.15509	1.6
284.03238	0.8
285.00720	0.5
285.04047	2.1
295.02481	8.7
296.03033	2.5
297.04068	8.4
298.01166	1.4
298.04233	1.0
299.01959	2.0
300.02698	1.8
300.99921	1.4
301.03571	2.1
302.00339	1.1
311.01978	2.6
312.02609	0.8
313.03476	7.8
315.05264	0.7
323.01996	11.3
324.02451	2.0
325.03552	1.0
327.01517	8.1
327.05038	1.0
341.03049	26.1
342.03464	2.0
343.04617	0.7
353.03339	0.9
355.04544	2.3
373.05899	2.2
383.04092	1.5
445.07773	100.0
446.07996	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	445.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.9
59.01387	39.6
62.70496	1.9
63.06010	1.7
63.42145	1.4
65.69234	1.5
65.95637	1.5
69.93054	7.8
71.01388	11.1
71.16133	1.4
73.02959	9.6
81.03464	4.4
83.01389	7.4
83.05039	2.8
85.02946	5.7
88.12604	1.6
89.02447	3.1
93.03456	19.8
95.01382	2.9
95.05023	4.2
97.02953	4.0
98.21861	1.8
99.00926	3.2
99.04504	2.9
101.02451	5.4
102.12552	1.5
107.01397	2.6
109.02968	22.8
111.00932	2.4
111.04541	8.6
113.02441	4.1
121.02953	4.5
123.00911	3.0
123.04502	14.3
125.02463	86.9
126.02841	3.1
131.05022	1.9
131.07164	4.6
135.04506	4.8
137.02460	30.2
139.04004	3.3
143.04955	1.5
145.02965	19.2
146.03717	3.3
149.02438	9.6
151.04036	8.4
153.09340	2.0
155.03473	1.8
159.03098	1.7
159.04552	8.4
161.02498	2.9
161.04538	5.7
161.06100	8.5
163.03995	2.1
164.01109	2.2
165.01917	6.8
167.03575	4.3
169.01419	13.3
173.04599	21.5
173.06059	3.3
175.04041	2.6
175.07692	2.4
176.08183	1.8
179.03520	6.0
183.04494	2.0
185.06107	6.8
187.04019	7.5
188.04826	4.5
191.07236	2.0
191.72041	2.0
200.55019	1.7
201.05571	3.7
203.03616	2.9
203.07162	16.6
205.05150	8.0
205.06726	2.1
211.04166	2.2
221.08246	3.2
223.13377	5.2
227.07126	3.4
229.05077	2.7
231.03012	2.0
245.08171	18.8
253.05162	9.5
259.06000	3.2
271.06165	31.6
272.06494	3.3
275.01971	2.5
277.07315	4.0
289.07208	100.0
290.07675	7.7
293.12442	5.0
295.08295	4.6
299.99161	1.8
300.99988	3.7
401.12378	2.9
436.36392	1.9
445.04034	3.5
445.13580	12.1
445.19040	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	445.1355
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
51.19502	0.6
53.08829	0.7
59.01385	24.8
60.01693	0.6
65.00309	0.8
67.01896	0.7
67.24638	0.6
69.03452	1.0
69.83939	2.1
70.74904	0.7
71.01391	13.7
72.99319	1.9
73.02956	1.0
76.34376	0.6
79.01900	1.6
83.01398	1.2
85.02971	3.1
85.06598	1.7
87.00868	0.9
89.02451	15.1
95.01404	2.2
97.02924	0.9
99.00895	0.9
101.02448	11.6
102.41591	0.6
107.01376	3.4
110.07679	0.6
111.00919	1.9
113.02470	6.9
113.06073	3.5
119.03516	7.1
123.00900	12.2
124.01685	1.3
124.41152	0.5
125.02459	16.0
127.00362	1.0
131.07169	5.1
136.98781	1.3
139.00377	4.8
140.01137	2.8
141.01985	1.3
141.05408	0.7
151.00409	9.4
152.08466	0.7
153.09184	1.4
161.04648	1.0
168.00670	3.3
169.01440	18.4
170.01730	1.0
179.05669	1.0
211.02460	7.6
223.13155	0.8
247.77029	0.7
271.04636	8.4
273.00528	0.8
275.02051	0.6
293.12442	20.8
294.12582	1.2
300.99881	1.1
313.05692	0.7
331.06754	1.2
385.18604	1.5
427.12500	4.8
428.13055	0.9
445.13550	100.0
446.13940	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30496	1.1
57.03462	1.8
58.00586	1.0
59.01385	32.6
62.65131	1.0
69.03459	1.2
71.01389	22.8
71.27723	1.2
72.41756	1.1
72.99296	1.3
73.02955	1.7
80.08900	1.2
81.03461	1.3
83.01413	2.4
83.29277	1.0
85.02965	4.2
85.06597	14.3
89.02456	22.7
93.03485	1.6
95.01408	2.4
99.00889	1.5
101.02453	15.1
107.01418	4.9
109.50649	1.3
111.00871	1.5
113.02476	7.2
113.06091	3.0
115.07669	1.6
118.62364	1.0
119.03516	8.2
123.00906	4.4
125.01551	2.2
125.02467	31.8
125.03347	2.3
126.65094	1.0
131.07156	66.2
132.07532	1.6
137.02466	2.6
139.00354	1.6
140.01131	1.4
142.38560	1.0
147.03004	1.1
151.00380	1.8
151.04042	4.5
161.04605	1.4
165.91780	1.2
167.03587	1.3
168.00652	3.8
169.01443	33.8
169.02832	2.4
170.01848	1.7
179.05742	1.4
203.03636	1.4
211.02524	8.2
226.20944	1.4
231.03094	1.7
233.06895	1.6
247.02533	1.5
249.04141	2.3
271.04630	9.3
275.02054	7.1
293.12454	82.6
294.12839	2.6
313.05762	3.6
354.81970	1.3
445.13641	100.0
445.20773	18.2
446.14026	10.8
446.20596	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	445.1354
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
57.03453	14.6
58.00584	1.4
59.01384	30.9
64.48541	0.9
67.01881	1.3
69.00238	4.3
69.00656	5.7
71.01029	1.8
71.01390	20.8
72.99306	2.3
73.02954	1.9
73.92756	0.9
79.01913	1.4
83.01394	1.8
83.05028	3.2
85.02952	5.7
85.06591	3.0
89.02453	20.6
93.03441	1.7
95.01401	3.0
95.05071	1.0
97.02947	1.3
101.02448	14.1
107.00754	1.1
107.01418	4.3
109.02981	1.2
111.00890	3.0
113.02444	8.5
113.06084	2.0
119.03522	9.5
123.00908	16.8
123.04536	1.8
125.02457	24.4
125.03350	2.0
126.02770	1.0
131.07159	6.8
137.02457	3.4
139.00369	6.0
140.01161	1.9
141.01971	1.7
143.03471	1.4
149.02354	1.3
151.00380	10.8
151.03964	1.7
159.04544	1.0
161.02446	3.4
163.11308	5.7
165.01837	1.1
165.63770	0.9
168.00655	3.4
169.01425	18.6
176.04863	1.6
178.10051	1.4
179.03575	5.0
180.09473	1.0
194.05908	2.4
198.51054	1.0
203.07092	1.3
203.14462	2.6
207.10283	3.0
209.08182	8.1
211.02481	4.0
221.15503	8.9
222.15860	1.2
265.14508	6.6
271.04694	4.1
273.63376	1.1
276.57474	0.9
283.15515	1.4
289.07217	6.4
293.12460	28.0
294.12820	1.9
313.05576	1.0
331.06482	1.1
343.66287	1.0
372.50052	1.1
416.64133	1.4
427.12677	4.2
445.13602	100.0
445.20538	8.7
446.13965	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	445.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62079	1.6
57.03457	18.0
59.01380	15.5
61.98834	7.8
69.03472	2.2
69.16490	11.1
69.16903	3.6
70.48419	1.6
71.01096	1.5
71.01390	15.8
73.02949	4.9
81.03465	4.4
83.01384	13.2
83.05051	3.4
85.02959	4.4
89.02447	18.3
93.03455	2.9
95.05045	3.9
97.02947	4.6
99.00886	3.4
101.02447	11.0
107.01381	2.2
109.02962	24.4
109.06628	1.8
111.00900	3.8
111.08166	21.5
113.02431	2.8
117.03455	2.2
119.03513	2.3
121.02991	2.0
123.04537	11.0
125.02460	100.0
126.02789	3.5
131.03500	3.7
135.04567	3.8
137.02460	98.0
137.09744	5.9
138.02888	2.8
139.04059	2.2
145.02972	21.8
146.03748	2.4
149.02490	10.8
149.04575	8.9
151.00397	1.8
151.04028	9.5
159.04515	10.7
161.02477	6.5
161.04684	2.4
161.06078	16.0
162.97983	1.8
165.01956	3.3
171.10316	2.5
173.08200	35.0
174.08554	2.0
175.07825	1.9
179.03532	2.5
183.04497	2.6
185.06129	5.2
187.04045	9.1
188.04727	3.3
191.05727	2.8
201.05560	6.1
203.03725	1.6
203.07169	16.2
203.14447	2.4
205.05043	4.4
209.06076	3.3
209.11862	4.7
211.04001	2.4
221.08273	2.1
227.03508	2.6
227.07118	6.5
229.05098	3.1
239.13060	1.7
241.01524	3.6
245.01140	2.4
245.08180	15.3
247.13452	3.9
253.05122	8.5
255.03053	3.2
270.01852	1.9
271.02979	2.9
271.06131	35.9
272.06366	3.0
285.04013	1.9
289.07193	67.7
290.07535	4.8
295.11905	16.3
299.02014	2.8
307.11874	4.3
313.16559	4.6
317.13931	3.1
373.82742	2.0
383.14899	8.0
386.01938	2.1
401.16019	40.4
402.16489	5.0
409.21014	3.2
445.07800	10.2
445.14932	16.1
445.20749	10.0
446.15436	2.7
446.20920	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	445.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
69.19406	4.3
69.19827	3.9
71.01410	1.5
83.01379	1.0
85.02951	1.1
89.02489	1.4
91.29536	1.0
93.03490	1.7
98.21755	1.2
101.02468	2.0
111.00719	0.9
119.05025	7.8
123.08206	1.8
125.02469	3.4
135.04544	1.2
138.37245	1.0
145.02969	1.5
151.11302	12.1
158.03807	1.0
161.09740	1.2
165.09239	4.5
169.01439	2.3
188.22633	1.0
197.02333	3.2
198.91673	1.0
199.04007	2.1
203.14410	12.9
225.05640	1.1
235.81703	1.0
237.05470	1.6
247.13409	100.0
248.13771	8.4
281.04541	1.4
283.11703	2.8
289.07358	1.5
307.05975	1.4
313.00015	2.9
327.96017	1.0
357.11298	1.1
359.09064	1.0
401.10037	7.2
402.10550	1.2
445.09341	2.8
445.16251	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	445.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57632	1.2
53.32841	1.2
58.40009	1.2
59.01381	10.4
69.03454	2.7
71.01388	14.9
72.99309	1.3
73.02949	56.1
83.01410	1.9
85.02958	4.7
89.02450	14.7
95.01376	2.6
97.02971	2.4
99.00876	4.8
101.02448	9.1
107.01382	2.1
113.02461	2.7
119.03556	1.9
123.00887	7.1
124.01696	19.4
125.02464	43.8
126.02787	1.5
131.03535	1.8
137.02428	1.6
149.04588	4.9
149.99597	24.1
151.00348	4.2
161.02388	1.5
161.04694	2.0
168.00659	49.9
169.01431	9.1
191.05624	2.1
197.02208	2.3
202.97134	1.4
203.14485	4.6
209.11931	1.9
211.77620	1.3
238.33237	1.4
241.01530	4.2
245.00957	2.3
247.13399	100.0
248.13789	8.8
270.01791	3.8
271.02618	4.2
298.01407	1.9
299.02075	5.3
313.16617	4.6
327.75620	1.4
427.08267	1.9
445.09946	72.2
445.20798	5.1
446.10153	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25946	0.7
58.00600	0.9
59.01384	100.0
59.73003	0.6
60.01725	1.4
69.09563	0.7
71.01386	18.0
72.99311	1.0
77.57098	0.8
83.05054	2.9
85.02985	2.6
87.00878	0.7
89.02453	28.2
95.01418	1.2
98.22552	1.6
101.02456	9.8
107.01439	1.3
113.02454	9.5
116.50362	0.6
119.03511	11.7
123.00919	1.7
124.34946	0.7
125.02414	4.2
128.03586	1.0
131.03511	1.5
143.03543	2.8
151.00435	0.8
161.04631	3.1
168.00763	0.9
169.01416	5.9
179.05624	13.7
183.03142	0.8
201.01950	0.8
203.03526	1.0
210.23024	0.8
275.02045	2.0
301.00027	2.8
325.29480	0.7
355.15271	0.7
358.89487	0.7
445.04572	2.7
445.13522	4.6
445.21408	0.9
446.14047	1.1
453.78128	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15309	0.6
55.68621	0.6
58.00583	1.0
59.01384	100.0
60.01712	1.2
70.69119	1.6
70.69475	0.8
71.01389	17.1
71.01752	1.2
72.99321	1.0
83.05055	1.9
85.02977	2.0
87.00880	0.9
89.02453	27.1
92.46813	0.6
100.28918	0.7
101.02447	8.4
109.90081	0.6
113.02451	6.3
113.03033	0.5
119.03517	11.6
125.02474	2.7
131.03542	0.9
143.03551	2.7
155.66440	0.8
161.04610	3.0
169.01468	1.8
179.05623	14.3
196.12935	0.7
275.02127	1.4
281.08569	0.7
293.12418	0.8
300.99939	1.6
313.00241	0.7
445.04123	1.5
445.13910	1.1
445.20731	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	445.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76265	0.6
53.82371	0.6
57.03456	1.8
59.01384	100.0
60.01698	0.7
61.26394	0.6
67.01904	0.7
71.01380	11.6
71.27206	1.1
72.99319	0.8
75.87217	0.6
83.05062	1.4
84.04578	1.2
85.02975	3.0
85.57630	0.6
87.44201	0.6
89.02455	12.9
89.02959	1.1
95.01430	1.2
99.00953	0.6
100.83692	0.8
101.02444	7.0
101.03018	0.6
107.05093	1.2
113.02467	6.4
119.03515	5.0
125.02423	3.2
125.06123	2.3
127.00266	0.6
131.03554	0.9
143.03542	1.2
149.04585	0.8
152.08467	1.1
153.09233	4.1
158.00346	0.7
161.04643	2.7
162.02321	5.9
162.03502	0.8
163.11299	8.9
163.12518	0.7
165.09227	1.2
169.01375	3.1
179.05693	1.4
205.12346	9.0
205.13994	0.7
211.02625	0.7
223.13411	1.4
244.54651	0.6
254.87350	0.7
313.58652	0.6
385.18808	0.7
445.04654	1.2
445.13666	1.4
445.21094	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	445.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	3.7
67.01890	2.6
68.97300	24.2
71.01385	4.0
83.01403	3.5
98.22498	5.2
107.01396	6.9
111.00888	27.9
121.02906	2.8
123.00861	2.9
123.42899	2.2
124.01650	15.9
125.02455	35.0
127.00407	11.8
127.01237	2.1
136.98804	19.9
137.93628	2.4
139.00394	28.1
140.01167	41.0
151.00394	4.6
168.00652	96.2
169.01442	65.2
173.06961	2.5
208.33069	2.6
305.89438	3.4
401.23410	5.4
445.22336	100.0
446.22653	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	445.2235
Annotation	Atranone B
Peak:m/z	Relative Intensity
55.56965	2.3
67.01889	1.9
71.01397	3.9
85.32357	1.9
98.21706	4.0
110.00101	2.7
111.00906	22.9
111.76743	2.2
123.00905	6.4
124.01713	7.2
125.02461	14.4
125.22462	1.9
127.00365	9.6
134.97415	2.2
136.98831	15.3
137.98538	1.9
139.00383	22.9
140.01178	37.4
141.01640	2.2
144.92479	2.2
151.00421	5.3
154.99901	2.9
168.00659	74.3
169.01483	11.7
179.92638	2.5
293.21356	5.8
309.04657	1.9
401.23553	4.2
439.05334	2.0
445.22391	100.0
445.48373	2.1
446.22836	13.5
447.53705	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	446.1098
Annotation	Prunasin 6'-O-gallate
Peak:m/z	Relative Intensity
58.03982	0.9
59.01384	26.7
60.00964	1.0
63.02408	1.5
65.00300	1.1
67.01887	1.7
69.47030	4.3
69.47449	1.6
71.01397	8.7
73.02943	2.1
75.97378	1.1
83.01397	2.8
85.02956	3.6
87.00859	1.4
89.02451	3.6
95.01376	3.4
97.02283	1.1
97.02937	1.5
98.06040	0.8
99.00885	1.2
99.43874	0.9
101.02449	4.1
107.01400	8.3
110.00107	1.1
110.87440	0.9
111.00883	5.5
113.02451	2.9
119.03560	1.2
121.02977	1.5
123.00904	13.5
124.01694	2.0
125.02468	27.3
127.00406	2.5
131.03772	3.3
132.04590	9.2
133.02997	2.9
136.98814	3.5
139.00407	6.7
140.01170	8.7
141.01961	1.2
143.03535	0.9
145.02982	1.3
149.02426	1.7
151.00395	10.5
161.02419	0.8
161.04576	2.7
166.99834	3.5
168.00644	12.2
169.01443	36.1
171.00761	1.0
174.05710	1.3
189.35526	0.9
199.04106	1.5
201.01933	1.6
211.02385	6.2
217.05060	1.3
227.00008	1.2
227.03568	1.4
229.01376	1.0
241.03600	1.0
242.99283	1.1
243.03006	1.0
255.02887	1.9
256.03790	3.5
260.03043	0.9
270.98849	10.0
271.04575	3.5
275.01932	1.2
284.03281	56.0
285.00903	3.1
285.04062	84.9
286.01288	1.8
297.06302	7.9
298.98285	13.1
299.99155	13.9
300.99878	3.8
312.99979	3.6
313.05701	3.7
314.00793	9.5
315.01273	1.3
387.20319	3.0
423.91730	1.1
446.10959	100.0
447.04449	5.6
447.10168	52.1
447.22287	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	446.1097
Annotation	Prunasin 6'-O-gallate
Peak:m/z	Relative Intensity
54.75572	0.6
59.01387	1.9
59.74203	0.6
65.00330	0.7
67.01900	1.1
69.03449	1.0
71.01385	6.6
71.76119	0.6
72.99309	0.7
73.02959	1.4
78.02334	0.5
79.01897	1.2
80.78094	0.5
83.01395	1.0
83.87483	0.6
85.02966	2.7
89.02440	0.6
95.01398	2.7
95.32247	0.6
97.02975	1.2
98.22521	1.4
101.02449	3.7
107.01405	9.7
109.02999	0.9
111.00865	1.2
113.01189	0.7
113.02484	3.6
121.02996	1.3
123.00906	14.5
124.01678	0.8
125.02461	34.9
131.03770	1.2
134.86118	0.6
136.98846	1.4
139.00351	5.0
140.01170	2.9
141.01996	1.6
151.00377	13.3
153.01976	1.2
161.04564	1.8
161.06694	0.6
166.99796	0.8
168.00632	4.0
169.01443	49.9
170.01808	2.0
178.99915	1.5
193.01369	0.8
211.02486	0.9
216.00671	0.7
223.02422	0.8
243.03096	1.4
253.03552	1.1
255.02936	4.1
259.42111	0.7
270.98853	1.7
271.02496	7.8
285.03976	0.8
298.98279	1.7
299.01743	0.8
299.99149	34.2
300.02786	14.1
301.03531	10.8
313.05695	10.5
314.00735	1.3
315.01492	37.6
446.10965	100.0
447.05612	2.6
447.10934	13.2
447.21667	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	447.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64760	1.6
56.79515	1.3
69.11856	10.1
69.12273	3.0
69.19380	1.7
142.87616	8.6
189.35320	1.6
207.94081	1.7
259.99527	2.3
272.96799	2.4
287.99210	1.8
292.28952	2.1
294.28864	1.6
297.97635	3.0
300.02765	2.6
300.96289	7.5
315.98657	22.8
328.95728	11.6
343.98145	27.6
344.98431	3.2
359.00491	100.0
360.00708	7.9
374.02847	17.2
389.05191	80.8
389.10251	3.3
390.05576	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	447.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97072	0.7
59.01368	2.6
69.69860	3.1
71.01358	1.5
72.38328	0.6
80.44893	0.6
89.02460	0.8
95.72645	0.6
98.21914	1.1
109.85278	0.5
112.34912	0.6
112.54208	0.7
121.41094	0.6
125.02476	4.6
135.04506	1.0
169.01404	1.7
181.72777	0.5
212.12061	0.6
234.61263	0.6
242.99362	2.6
244.00082	1.3
270.98880	24.6
271.01910	1.2
271.99243	1.5
283.99600	0.9
287.05807	0.7
298.98355	30.0
299.99127	100.0
300.99521	7.7
312.99945	1.9
314.00671	14.7
314.04013	1.1
315.01495	68.5
316.01859	5.3
402.31390	0.6
447.05710	59.7
447.22211	3.7
448.05933	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	447.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03198	0.7
59.01367	1.6
60.41088	0.7
98.21793	1.7
101.02454	1.0
151.13460	0.8
229.16583	1.1
237.02419	0.8
242.02269	1.0
242.99350	3.7
245.81042	0.8
258.01712	4.0
270.98856	42.3
271.99240	2.8
283.99646	6.0
285.00458	10.1
286.01151	7.8
297.00290	0.9
298.98349	60.5
299.98874	8.0
300.99670	1.2
312.99933	18.9
314.00693	56.2
315.01221	6.6
447.05716	100.0
447.22168	4.4
448.06094	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	447.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.9
76.84388	0.5
88.72909	0.5
90.80107	0.5
101.01585	0.4
125.02518	2.0
151.04108	0.5
169.01440	1.2
200.01178	0.7
216.00580	0.8
227.03577	2.3
242.99406	1.9
244.00166	0.6
255.03044	2.7
270.98880	22.7
271.99265	1.7
284.03278	2.1
285.03973	1.8
298.98352	21.8
299.99133	100.0
300.99542	6.8
313.00012	1.1
314.00729	15.5
315.01492	86.2
316.01807	6.6
396.27045	0.5
400.34750	0.5
432.03333	0.8
447.05612	69.6
448.05954	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	447.0575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01424	0.8
59.01091	1.1
59.01383	16.8
68.31899	0.6
71.01392	6.8
73.02950	1.8
83.01356	1.0
85.02966	3.0
89.02446	3.0
90.48406	0.8
93.73341	0.7
98.21723	1.4
98.22403	4.5
101.02431	4.7
113.02433	3.1
119.03484	1.5
123.00894	2.1
125.02440	1.3
133.91055	0.7
137.17751	0.7
161.04568	2.7
164.86998	0.8
166.99957	1.3
169.01410	0.8
179.05791	1.0
200.01152	1.3
214.02658	0.8
214.99770	0.7
229.11667	0.9
242.99362	4.7
243.99959	1.5
258.01721	3.9
270.98859	47.3
271.99112	3.4
283.99628	5.9
285.00476	13.8
286.01227	8.6
297.00345	2.0
298.98340	58.5
299.99106	41.1
300.02087	0.8
300.99820	8.1
312.96332	1.2
312.99924	21.3
314.00699	61.5
315.01273	6.6
328.99463	1.1
387.20508	0.9
447.05704	100.0
447.22318	13.8
448.06155	10.5
448.22256	1.6
452.50064	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	447.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97923	0.7
68.98328	4.6
71.01397	1.0
76.54427	0.6
76.84385	0.5
83.01433	0.5
83.03587	0.5
107.01404	0.9
125.02425	1.2
138.83748	0.5
146.88689	0.6
151.00375	2.8
163.00359	0.9
169.01405	1.0
178.99895	1.0
200.01268	0.8
211.04025	0.8
215.64778	0.6
216.00554	1.2
227.03526	11.3
228.04178	0.7
242.99432	1.7
243.02991	1.9
244.00145	1.7
255.02997	17.8
256.03513	2.1
270.98892	18.1
271.02499	9.9
271.99551	1.1
272.02878	0.9
284.03339	9.3
285.04004	4.5
298.98364	16.8
299.99197	100.0
300.02774	15.2
300.99548	6.2
301.03543	11.8
301.06763	0.9
302.03693	0.6
314.00705	9.8
315.01492	98.3
316.01886	8.0
323.44528	0.5
327.05035	0.5
337.03351	0.6
447.05597	23.2
447.10034	11.6
448.05975	3.1
448.10532	1.9
456.37479	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	447.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
62.23845	0.8
63.68280	0.8
64.02326	0.9
69.33941	6.2
76.84370	1.1
83.01444	0.9
93.03484	0.9
98.21762	1.5
102.94402	0.8
107.01420	3.0
109.02971	2.3
121.03014	2.4
123.00931	1.2
125.02472	1.8
148.01721	0.8
149.31677	0.8
151.00392	9.7
163.00415	2.3
163.80426	0.8
169.01454	1.9
178.72005	1.0
178.99916	5.0
211.03876	1.3
216.00774	1.0
227.03477	3.5
243.03014	6.0
244.00099	2.7
245.04616	1.4
254.02235	0.8
255.02985	16.3
256.03503	1.4
270.99069	3.2
271.02490	26.2
272.03006	3.5
273.03824	0.9
283.02444	1.8
286.30264	0.8
298.98410	2.0
299.99173	100.0
300.02808	50.8
300.99576	7.4
301.03543	39.3
302.03931	2.8
314.00598	1.2
315.01505	98.8
316.01904	7.3
328.58112	0.9
407.10880	1.4
434.64261	0.9
447.10074	27.0
448.09964	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	447.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
65.00330	0.8
70.83165	1.4
70.83498	1.2
71.01384	2.7
73.02953	1.2
76.84372	1.1
83.01406	1.3
85.02946	1.1
89.36774	0.7
94.17615	0.8
99.48483	0.9
101.02455	1.3
107.01414	5.0
109.02969	2.3
113.02492	0.8
117.03477	2.6
121.02877	1.2
123.00893	2.6
125.02459	8.9
126.02779	1.2
133.02972	3.5
133.39206	0.8
137.02513	1.2
139.00327	1.0
145.02960	7.3
149.02435	0.9
151.00386	7.7
161.04620	1.0
163.00401	1.7
163.04047	1.3
169.01471	8.7
169.22589	1.0
170.01808	1.2
172.12549	0.7
175.04089	1.3
178.99907	1.7
199.04071	1.3
215.03499	1.3
216.00627	1.3
227.03473	3.1
242.99379	1.3
243.02948	4.0
244.00214	1.0
255.03004	9.7
256.03394	1.1
257.04495	1.4
270.98889	8.0
271.02487	14.6
272.02911	1.8
273.04034	0.8
284.03268	4.3
285.00925	1.4
285.04071	40.6
286.04404	2.9
298.98358	11.2
299.99124	100.0
300.02744	23.3
300.99496	8.4
301.03503	17.4
302.03918	1.5
307.08228	1.4
312.99933	1.2
314.00757	7.0
314.06244	0.9
315.01501	97.3
316.01761	8.8
447.05463	12.6
447.10986	13.0
447.22049	4.0
448.05423	1.5
448.10983	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03179	0.6
59.01384	11.0
60.19845	0.6
69.64215	3.8
83.01376	0.6
83.66719	0.6
89.02461	1.4
93.03427	0.8
93.20075	0.7
97.39079	0.7
100.28453	0.6
107.01375	1.0
122.07905	0.7
125.02477	3.4
148.51561	0.6
151.00380	2.4
169.01434	1.9
176.73227	0.6
177.02049	0.6
183.04472	1.3
185.06139	0.7
187.04039	1.0
211.04050	2.7
227.03519	73.8
228.03860	6.8
229.05016	2.0
241.04990	1.2
248.62773	0.8
255.03012	93.7
256.03604	13.2
257.04382	1.6
284.03287	77.2
285.03998	25.5
286.04456	1.5
298.98257	1.0
299.99179	3.8
300.99515	0.9
315.01492	2.9
327.05249	1.9
447.09406	100.0
448.09811	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78910	0.8
52.58803	0.7
56.17199	0.8
63.02393	1.7
65.00323	2.4
69.22201	1.6
69.22606	4.1
73.55698	0.8
78.25775	0.7
83.01391	2.4
91.01896	1.2
107.01376	4.8
108.02222	1.5
109.02949	3.5
121.02968	3.3
135.00883	1.7
137.40625	0.8
148.01698	2.1
149.02495	0.8
151.00395	15.5
159.15750	0.9
163.00365	3.7
164.01102	0.9
172.20274	0.7
178.99866	8.6
187.03941	1.1
189.14764	0.7
199.03886	1.1
211.03911	2.7
211.79889	1.1
215.03433	1.4
216.95769	0.9
227.03503	3.9
228.60701	0.8
243.03026	11.7
244.03392	0.9
245.04539	1.9
254.02257	1.4
255.00432	1.9
255.03018	27.2
256.03250	1.5
271.02499	55.1
272.02908	4.8
273.03949	2.0
283.02490	2.3
300.02765	100.0
301.03516	95.7
302.03778	6.1
372.55420	0.8
447.09348	83.4
448.09625	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01305	11.6
59.01641	1.5
63.02342	1.1
65.00262	1.1
67.01844	0.3
70.12384	1.0
73.02908	0.6
83.01318	1.2
85.02876	1.1
89.02454	1.4
89.02863	0.4
93.05746	0.3
95.01295	1.1
101.02455	2.0
105.03419	0.3
106.18282	0.3
107.01415	3.2
108.11371	0.3
109.02917	0.7
113.02457	1.5
114.38907	0.3
119.03471	0.5
121.02892	0.6
123.00922	2.1
125.02385	1.0
132.02162	0.7
133.02106	0.4
133.02960	4.9
134.03630	1.2
135.04501	0.3
139.00336	0.6
148.01610	0.5
149.02335	0.6
149.99574	0.3
151.00380	5.3
154.28395	0.3
157.02890	0.4
161.04588	1.7
166.99896	1.5
169.01453	1.6
171.00801	0.8
173.02374	0.4
174.03189	0.4
175.04024	1.9
179.05614	0.4
183.04559	0.5
185.06017	0.5
187.03857	0.4
188.04692	0.4
195.04550	0.5
198.03195	0.6
199.00485	0.4
199.03947	2.0
200.04758	0.8
201.01895	0.9
211.04039	1.5
212.04712	0.5
213.05606	0.4
216.00568	0.3
217.04979	0.9
226.99899	0.6
227.03586	1.9
229.01314	0.8
239.03532	0.6
241.04881	0.6
242.02055	0.4
243.02962	0.7
254.99396	0.4
255.02904	1.4
256.03781	4.9
257.04538	0.4
270.98871	3.4
273.00381	0.4
283.02441	0.7
284.03287	58.1
285.04053	100.0
286.04388	6.5
287.10266	0.3
298.98428	5.0
299.01666	0.5
299.99136	4.2
300.99905	2.1
301.03079	0.5
312.99976	1.1
314.00702	4.2
315.01331	0.4
327.04941	0.8
330.64233	0.3
387.20334	1.7
447.09595	63.4
447.22656	1.3
448.09918	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	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.74357	0.8
63.02410	1.4
65.00314	2.7
69.37878	4.3
69.38284	1.6
71.01397	1.1
75.13486	0.9
83.01413	1.8
93.03480	0.8
107.01397	5.3
108.02174	1.9
109.02953	4.3
121.02950	5.0
125.02421	1.7
133.02959	3.8
135.00882	1.1
145.19481	0.9
147.00967	0.8
148.01672	1.9
149.02481	1.5
151.00394	21.2
152.00893	0.9
163.00397	6.5
164.01134	1.0
169.01407	2.2
175.03987	2.1
178.99875	10.7
180.00294	0.9
182.91783	0.8
183.04561	1.0
187.03992	1.1
199.04019	1.7
201.01862	0.9
201.05592	1.0
211.03935	2.1
215.03424	1.0
226.02768	1.5
227.03540	6.4
228.04028	0.8
229.04974	1.9
243.02971	13.2
244.03497	1.4
245.04527	3.0
254.02176	1.9
255.03020	32.8
256.03491	3.4
271.02509	58.5
272.03015	6.1
273.04062	2.0
283.02487	2.4
284.03363	4.0
285.04080	45.4
286.04459	4.1
299.02023	2.4
300.02780	100.0
301.03522	87.7
302.03937	5.6
327.01074	0.7
447.09332	74.5
448.09741	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13481	0.2
59.01362	0.3
63.02394	0.3
65.00323	0.3
69.52098	1.4
71.01360	0.4
89.02421	0.3
90.49294	0.3
93.03441	0.5
107.01397	0.6
109.02950	0.9
123.00860	0.3
123.04518	1.0
125.02459	2.5
133.02943	0.5
135.00838	0.3
137.02432	1.5
143.05112	0.3
147.00795	0.3
151.00366	1.6
151.03979	0.4
153.97905	0.2
157.02957	0.3
159.04427	0.3
161.02461	0.3
163.00301	0.3
165.01833	0.4
169.01419	1.8
171.04517	1.0
175.04004	0.9
187.03979	0.9
199.03999	2.8
201.01981	1.3
203.03529	0.7
215.03497	2.2
226.02725	0.7
227.03531	2.9
242.02267	0.6
243.02997	3.3
244.03352	0.3
245.08156	0.2
254.02170	0.6
255.02953	1.9
271.02499	54.9
272.02823	4.7
282.01859	0.3
285.04120	0.4
289.07224	2.0
299.01987	100.0
300.02502	12.7
301.03323	0.9
312.99866	0.3
314.00964	0.5
314.04318	1.0
315.05118	18.9
316.05545	1.7
327.02939	0.3
357.06293	0.4
399.95435	0.2
432.07004	22.9
433.07346	2.3
447.09402	49.4
448.09729	6.6
448.23120	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	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38409	0.2
53.50845	0.1
65.00308	0.4
66.22890	0.1
66.44926	0.2
69.07298	1.7
83.64698	0.2
101.02421	0.2
107.01389	0.4
108.02161	1.2
135.00912	0.4
145.02992	0.2
148.01714	0.7
151.00383	2.0
152.01060	0.2
163.00371	0.4
164.01135	0.6
183.04526	0.4
192.00674	0.3
199.03976	1.1
201.01857	0.2
203.03494	0.3
215.03542	0.6
216.04231	0.4
226.02798	0.9
227.03506	2.1
233.53279	0.2
243.02986	7.6
244.03537	0.9
254.02206	1.4
255.03000	19.2
256.03336	1.6
271.02502	41.7
272.02966	3.8
298.98553	0.4
299.01987	7.7
300.02771	94.7
301.03131	6.9
301.06671	0.3
315.05127	100.0
316.05450	8.2
370.15759	0.2
432.07022	0.6
447.09357	13.1
448.09433	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01388	3.3
61.98817	1.2
71.98119	0.7
83.01408	1.4
89.02452	2.8
93.03494	0.8
95.01446	0.8
101.02448	1.5
101.27949	0.7
104.02628	0.8
107.01430	1.3
108.02205	1.3
109.02975	5.6
119.01400	2.3
119.03526	1.4
121.02983	1.4
123.00865	2.2
123.04526	0.9
124.01701	0.8
125.02458	24.5
133.02922	0.7
137.02438	1.5
147.00893	13.0
147.04536	2.0
148.01700	4.4
149.02457	4.1
151.00366	1.1
151.04021	1.5
153.01990	1.1
159.04652	0.8
160.01675	0.8
161.02429	0.7
163.00369	2.3
164.01169	0.9
167.03525	1.4
168.00618	0.9
169.01479	5.8
170.03947	0.8
171.04530	2.7
173.02417	0.7
174.03160	1.3
175.00414	1.0
175.03972	4.0
177.01949	2.6
178.05119	1.2
183.04518	3.0
185.06042	1.4
187.04022	2.3
188.04774	1.7
189.05649	1.6
190.99974	0.7
195.04483	1.5
196.05310	0.9
197.02640	0.8
199.04008	4.3
200.01222	1.0
200.04776	2.8
201.01955	1.9
201.05479	0.8
211.02370	2.7
211.04033	7.2
212.04820	3.7
213.01958	1.3
213.05524	2.2
214.02728	1.3
215.03519	2.2
217.05060	3.0
222.04163	0.8
223.04051	1.0
227.03506	7.7
228.04164	2.1
229.05098	0.9
239.03510	7.9
240.04227	5.9
241.05061	2.5
242.02208	1.3
243.03026	2.4
255.03008	18.7
256.03778	9.8
257.04477	6.0
267.02924	1.3
271.04498	1.9
279.06503	0.8
283.02509	10.2
284.03271	100.0
285.04037	78.7
286.04358	5.8
295.10355	4.5
299.05707	3.7
303.05261	1.1
327.05075	1.4
447.09378	22.9
448.09695	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47623	0.8
57.03461	2.5
59.01386	6.9
60.33901	1.0
61.98835	2.2
69.12698	1.1
69.27679	6.2
81.95651	0.9
89.02438	4.6
95.01424	1.1
97.70207	0.9
101.02460	1.8
107.01431	1.6
108.02195	2.6
109.02995	8.7
113.02496	1.3
119.01406	2.4
119.03492	1.7
121.02972	1.3
123.00919	1.6
125.02460	24.1
135.00835	1.0
137.02481	1.4
138.63983	1.0
147.00903	13.8
147.04575	1.3
148.01668	4.1
149.02437	2.6
151.03973	1.1
153.01942	3.3
161.02498	1.1
163.00348	1.7
167.03435	1.5
169.01398	7.7
170.03680	1.0
171.04521	2.1
174.03284	1.6
174.67258	1.0
175.00429	1.7
175.04001	3.0
177.01962	3.3
178.05139	3.6
183.04495	3.6
183.86859	0.9
185.06110	2.0
187.04060	2.9
188.04793	1.2
189.05626	1.7
195.04523	1.7
196.05258	1.2
197.02777	0.9
198.03253	1.4
199.04007	4.0
200.04709	1.6
201.01945	1.8
201.05411	1.0
211.02464	2.6
211.04201	6.8
212.04742	3.2
213.05608	1.1
214.02696	1.0
215.03534	1.0
217.05026	1.9
222.04126	3.0
223.04042	1.7
225.07677	1.5
227.03461	6.3
228.04283	2.6
229.05019	1.6
239.03424	7.2
240.04327	5.6
241.05098	2.3
243.03012	2.0
255.03012	18.1
256.03732	10.1
257.04581	7.8
269.04446	1.2
271.04712	3.4
277.67737	1.0
283.02475	11.2
284.03287	100.0
285.04037	77.4
286.04382	6.6
295.10416	3.7
299.05627	2.9
321.06262	1.8
370.10822	1.1
384.09375	2.8
389.08875	1.0
447.09525	25.7
448.10553	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	447.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01379	2.0
60.86430	0.8
63.02396	1.7
65.00311	1.9
70.32204	3.2
70.57418	0.8
78.79148	0.7
83.01400	1.9
85.87877	0.8
101.02460	1.1
103.99383	0.8
107.01400	6.0
108.02221	2.1
109.02971	5.9
121.02991	4.4
123.00903	4.1
123.04533	1.3
124.01676	1.9
125.02462	20.4
126.02800	1.1
135.00894	1.3
137.02438	2.5
138.03197	1.5
139.04007	2.0
147.04576	1.1
148.01675	2.8
149.02414	1.6
151.00369	20.4
151.04018	3.9
159.04494	1.0
161.02443	2.0
163.00351	5.5
164.01073	1.2
168.00636	1.2
169.01443	3.9
177.01926	1.4
178.99910	7.7
183.03000	3.7
183.04485	1.5
187.04066	1.9
192.00626	1.0
201.05621	1.6
203.03574	1.3
211.04053	2.3
211.13490	5.0
226.02792	2.0
227.03523	7.2
229.04987	2.4
243.03023	12.9
245.04533	4.0
254.02263	2.8
255.03017	33.6
256.03448	3.8
271.02502	59.4
272.03006	5.2
273.04025	2.4
283.02570	2.0
284.03241	4.2
285.04080	4.4
289.07208	3.5
299.02023	1.8
300.02774	100.0
301.03531	89.4
301.07153	1.9
302.03879	5.7
303.04926	1.4
319.77533	0.9
364.06641	1.4
405.12164	0.9
407.07587	1.9
447.09348	64.8
448.09677	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	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	28.7
65.27849	0.8
71.01389	13.7
72.99314	1.3
78.82603	0.9
83.01376	1.4
85.02975	2.5
89.02457	23.3
95.01390	1.5
98.21813	2.9
101.02458	13.0
107.01416	4.0
109.97934	0.8
111.00900	2.1
113.02483	6.2
115.03993	0.8
119.03532	10.0
123.00892	3.2
124.01719	2.3
125.02464	37.6
126.02807	1.4
133.05115	1.5
136.98813	1.2
139.00378	3.6
139.04057	1.0
140.01155	4.1
151.00397	2.7
161.02394	1.2
167.03494	3.4
168.00671	18.1
169.01434	42.0
170.01794	1.1
177.01984	1.5
211.02496	62.2
212.02785	3.0
229.38161	0.9
271.04611	53.2
272.04944	3.9
284.03281	1.8
285.04007	2.0
295.10370	71.3
296.10623	3.5
319.04688	1.2
331.06738	2.0
401.10928	1.2
407.07916	1.3
447.11475	100.0
448.11844	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	447.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.00580	1.5
59.01382	29.3
69.03449	1.1
69.46998	5.0
71.01389	18.4
72.99313	3.1
73.67346	1.0
83.01384	1.6
85.02969	4.1
87.04517	1.1
89.02450	20.4
95.01406	1.9
97.02966	3.1
101.02445	16.3
107.01397	4.0
108.02209	1.0
109.02961	2.3
109.94456	0.9
111.00880	1.2
112.96616	0.9
113.02459	7.4
115.04027	16.8
119.03533	9.9
121.02898	1.0
123.00921	3.9
124.01696	1.4
125.02460	27.9
133.05069	4.0
137.02432	1.3
139.00395	1.7
140.01176	1.5
145.02965	1.2
147.00882	2.8
149.02432	1.0
149.04485	1.0
151.00380	7.5
153.01866	1.4
167.03508	2.0
168.00647	5.0
169.01448	24.4
170.01807	1.0
177.01939	1.1
178.05286	1.4
186.48935	0.9
199.04140	1.0
211.02452	9.9
211.04089	1.5
222.04193	0.9
227.03531	1.7
239.03444	1.2
243.03065	1.0
255.02986	3.2
256.03656	1.1
271.04538	7.8
276.93744	0.9
283.02518	1.8
284.03262	14.2
285.04050	13.8
295.10349	66.4
296.10767	3.6
301.00021	1.3
303.05112	1.1
331.06866	2.9
353.61084	1.0
401.10867	1.4
447.11481	100.0
448.11789	9.3
462.84253	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	447.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83078	0.4
59.01368	0.5
62.43407	0.5
62.96420	1.0
65.98624	0.4
70.29375	1.6
72.01147	0.4
78.95911	44.0
96.96957	2.9
98.22478	0.6
101.28708	0.5
149.00108	20.8
158.92583	2.3
174.72400	0.5
179.01147	2.4
205.16054	1.4
211.13484	1.1
243.03104	0.5
255.02982	1.1
267.11429	0.6
271.02484	1.6
285.03928	0.5
300.02686	3.7
301.03607	2.8
327.57693	0.5
336.25818	0.5
347.08420	0.6
417.12411	1.3
431.10211	2.7
447.13495	100.0
448.13815	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	447.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16332	3.9
59.01377	12.0
66.14474	3.6
69.01540	39.6
71.01381	9.5
72.34994	5.1
73.02946	9.4
75.00864	6.0
83.01375	6.9
95.01376	5.3
101.02467	9.4
107.01380	9.2
109.02959	10.1
121.59299	4.2
123.00900	8.2
125.02469	32.0
135.04536	10.9
138.08986	3.9
145.02983	7.9
151.00385	17.8
160.01640	5.0
161.02376	4.7
163.00333	4.0
169.01434	17.8
175.03998	8.2
227.03448	8.1
242.99055	5.2
243.02917	6.5
249.14973	85.8
250.15263	5.8
255.02945	14.1
258.17395	5.0
260.83817	5.5
270.99005	38.0
271.02457	28.8
284.03351	24.1
285.00803	6.6
285.04013	29.0
289.07254	5.0
291.76935	4.5
298.98450	46.3
299.01678	8.9
299.99109	100.0
300.02774	55.9
300.99725	7.9
301.03470	36.4
312.99908	10.7
314.00775	41.7
315.01468	87.6
316.01700	7.3
431.45056	5.1
447.05573	39.7
447.10129	19.5
447.22092	32.0
448.05585	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	447.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53131	0.9
59.01384	100.0
65.00324	1.1
71.01383	6.1
71.18084	1.7
73.02940	1.5
74.99117	1.3
76.81155	1.0
83.01378	1.6
85.02945	2.9
88.52142	0.8
89.02445	3.0
95.01418	0.9
95.45064	0.9
101.02443	2.7
107.01389	2.7
109.02969	2.1
113.02467	5.6
119.03544	2.0
121.02943	1.9
125.02391	1.6
126.35654	0.9
135.00906	1.4
136.99139	2.5
151.00381	11.9
153.09213	1.8
161.04529	2.9
163.00389	2.5
164.01022	1.1
165.09242	5.3
169.01488	1.7
175.03828	1.1
178.99872	4.2
179.88376	1.2
183.09088	0.9
183.10313	9.2
189.02182	1.0
191.38393	1.1
211.13422	14.9
225.11330	55.7
226.11610	3.9
227.03502	2.8
239.03606	1.0
243.02988	7.8
245.04678	1.2
253.09373	2.3
255.02971	18.5
256.03580	1.5
271.02499	32.5
272.02866	3.3
283.02444	1.7
284.03201	2.6
285.03949	2.5
299.02087	1.6
300.02765	55.6
301.03531	41.0
302.03915	3.4
311.31644	1.2
315.05154	8.9
315.17996	3.0
447.09332	36.1
447.21967	1.8
448.09680	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72902	0.5
57.03461	1.4
59.01386	100.0
60.01722	0.8
69.21813	4.2
71.01393	9.0
80.96187	0.6
85.02959	1.0
87.00864	0.8
89.02454	14.4
95.01430	0.8
98.22578	1.1
101.02448	4.1
107.01364	0.8
108.02218	0.6
113.02457	4.7
113.03072	0.5
119.03523	4.8
123.00972	0.6
123.04608	0.6
125.02460	9.0
143.03549	1.7
149.04602	1.2
151.04048	0.6
161.04616	2.3
167.03555	2.3
169.01430	5.8
177.01915	2.5
179.05634	8.8
247.02618	1.0
253.31662	0.5
255.03200	0.7
284.03351	1.6
285.04184	1.9
303.05084	0.7
319.04770	0.8
333.07666	0.6
342.71094	0.6
407.08218	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	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.2
55.93372	0.8
57.03453	5.0
58.00595	1.1
59.01385	41.0
60.46025	0.7
69.03471	1.6
69.12023	7.7
71.01389	79.3
71.25138	0.8
72.99306	3.1
73.02953	34.2
75.00875	1.8
77.12455	0.8
81.78926	0.7
83.01396	10.2
85.02956	31.9
87.00877	3.4
89.02457	31.0
95.01374	6.1
97.02963	3.1
99.00893	13.5
101.02456	51.5
102.02759	1.1
111.00896	1.1
113.02464	32.0
115.03986	1.3
119.03523	5.5
125.01664	1.0
125.02421	5.2
129.01981	1.1
131.03529	5.2
143.03516	4.8
147.05516	0.9
149.04562	4.3
151.11324	1.8
159.03003	7.1
161.04575	43.7
162.04959	1.5
191.05666	1.5
193.51460	1.0
203.14470	1.0
205.03491	1.8
211.13385	1.2
233.06718	2.3
247.13402	10.8
271.02533	2.2
298.98425	1.2
299.02017	1.2
300.02731	3.7
315.05212	3.6
315.18155	53.7
316.18387	4.0
330.00897	0.8
347.26440	0.9
447.22397	100.0
448.22693	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	447.2241
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.89353	1.2
52.41888	1.2
53.02663	1.2
54.27708	1.1
55.01878	6.4
57.03441	3.8
58.00607	1.9
59.01386	52.1
69.03477	2.1
69.55286	7.6
71.01389	92.0
72.01724	1.7
72.99307	2.7
73.02952	39.6
75.00869	3.9
83.01383	11.0
85.02960	37.2
86.03345	1.2
87.00883	4.1
89.02450	35.8
90.44117	1.2
95.01387	7.2
97.02938	4.5
98.22407	2.3
99.00883	20.4
101.02454	63.6
102.02768	1.3
106.00760	1.2
111.36250	1.4
113.02462	33.7
115.04059	2.2
117.86398	1.2
119.03520	6.8
125.02460	6.9
129.02022	1.5
131.03519	5.8
143.03502	4.6
149.04601	9.9
151.00389	2.7
159.02989	8.9
161.04575	60.5
162.04875	1.6
178.99826	1.4
191.05649	2.7
197.39030	1.3
211.13400	10.1
229.33310	1.3
233.06650	4.4
243.03043	2.2
253.09132	1.3
255.03072	4.9
271.02512	11.8
293.08725	2.0
300.02747	15.3
301.03595	10.2
315.18121	39.9
316.18533	3.7
354.92252	1.3
447.09442	12.7
447.22397	100.0
448.09436	2.1
448.22684	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	447.2388
Annotation	Ugaferin
Peak:m/z	Relative Intensity
59.01381	1.5
65.00325	3.4
67.01891	1.6
68.99815	2.4
70.40077	1.8
70.40406	4.1
71.01379	5.0
72.99294	5.5
73.55562	2.1
75.68965	1.7
83.01382	3.9
110.00118	4.8
111.00896	22.8
123.00893	4.9
124.01654	13.3
125.02416	5.7
127.00389	11.5
136.98799	17.0
139.00374	28.0
140.01170	35.4
151.00372	7.0
154.99886	3.6
161.52885	1.7
168.00655	94.6
169.01321	7.5
177.38274	1.8
178.99895	2.8
243.03096	3.6
255.03078	7.1
265.70407	1.9
271.02530	9.4
284.03140	2.7
295.22748	2.5
300.02747	19.5
301.03534	16.2
309.53009	1.7
346.96860	1.8
351.46240	1.8
403.24930	5.3
447.09836	12.7
447.23862	100.0
448.24161	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	447.2391
Annotation	Ugaferin
Peak:m/z	Relative Intensity
52.14236	0.3
59.01403	0.4
61.98811	0.3
62.89939	0.3
70.84754	0.6
78.95908	2.0
80.73618	0.3
82.33991	0.2
90.36132	0.3
96.96004	0.3
99.08127	0.3
105.03481	0.5
106.04240	0.5
107.05000	0.4
108.02225	0.3
117.03452	1.5
121.02982	0.5
132.02190	0.9
133.02969	22.9
134.03792	5.7
135.04538	33.2
136.04863	1.5
137.02464	2.6
139.04033	1.1
151.00343	0.8
152.09377	0.3
152.99580	2.5
153.01855	0.3
161.02457	100.0
162.02791	4.1
178.02740	0.8
178.99930	0.5
179.03519	10.9
180.03908	0.6
190.52946	0.3
226.22929	0.3
227.03557	0.4
243.03067	0.5
255.02966	1.5
267.19681	1.0
271.02499	2.5
284.03378	0.7
285.04150	0.5
285.20712	10.9
286.21097	0.7
300.02789	3.9
301.03485	3.5
429.22665	2.3
430.23151	0.5
447.10165	2.8
447.23898	52.3
448.09720	0.4
448.24161	6.5
455.18405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81400	3.7
59.01391	5.6
69.57349	3.3
73.20287	3.9
75.78060	3.8
85.02960	5.1
87.86730	3.9
95.01412	6.0
98.22561	13.0
107.01436	6.2
109.02937	5.2
117.03448	3.6
121.02999	13.4
122.03355	6.1
123.00896	80.3
125.02475	27.4
137.02475	7.7
138.03246	54.0
151.00424	19.9
151.04010	5.5
152.00655	5.2
161.02547	6.5
169.01436	11.4
178.99870	9.5
181.05054	11.9
193.05148	6.3
209.00945	4.8
227.03523	5.8
228.03909	5.8
244.03448	5.4
255.03043	14.4
256.03235	30.1
271.02533	25.1
272.02850	45.1
273.03360	3.8
284.02869	5.0
286.04416	5.4
300.02820	30.5
301.03195	100.0
302.03867	59.5
303.04099	4.9
373.53323	4.5
405.12094	23.6
448.09750	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26168	1.8
57.30349	1.8
69.03459	28.8
79.01890	13.5
81.03462	1.9
95.01412	5.6
97.02956	15.0
102.64203	1.7
107.01398	45.4
107.02070	3.2
108.02225	3.5
109.02946	4.9
121.02949	3.0
123.00880	10.5
125.02470	39.0
133.02953	2.9
135.00909	15.5
135.04567	2.1
136.01680	2.1
137.02509	1.7
151.00398	54.1
152.01103	6.3
153.01942	15.3
163.04050	5.4
166.59999	1.7
177.01945	5.6
218.27750	1.6
228.99161	2.1
242.05844	65.3
243.06587	22.2
244.06932	2.5
285.07669	2.3
297.06296	5.6
301.03250	8.8
302.03799	4.7
405.11914	100.0
406.12173	12.3
436.46902	1.9
448.09607	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	449.0729
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
59.01374	0.4
62.10603	0.3
63.02385	0.5
65.00332	0.6
69.15889	2.7
71.01362	0.5
75.03373	0.3
81.91006	0.3
83.01381	0.8
107.01395	2.2
109.02953	1.1
123.00911	0.4
124.01673	3.2
125.02438	1.1
135.00874	0.6
136.01617	0.8
137.02448	3.1
148.01741	0.4
151.00383	8.2
152.01062	1.4
161.02394	0.5
163.00392	1.5
164.01181	2.5
165.01921	0.8
166.50421	0.3
169.01375	0.4
171.04529	0.3
175.04001	0.4
178.99886	8.7
185.02386	0.5
187.04103	0.5
192.00693	0.6
193.01390	0.5
199.03931	0.8
203.03514	0.8
204.04201	0.9
214.02719	7.5
215.03357	1.2
227.03546	1.5
229.35744	0.3
231.02974	0.4
232.03827	0.7
241.01341	0.5
242.02243	6.5
243.02991	4.9
244.03461	0.6
259.02478	7.6
261.04047	0.5
270.01706	6.5
271.02502	40.1
272.02847	3.0
287.02002	25.3
288.02457	3.2
299.01944	0.5
315.01306	0.6
316.02252	100.0
317.02963	29.0
317.07013	0.5
318.03342	2.2
436.07190	0.4
449.07288	45.3
450.07565	5.1
474.25528	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	449.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59424	0.5
54.30093	0.5
59.01383	1.6
65.00349	0.6
67.30626	0.5
71.01392	0.9
71.27043	0.8
78.07800	0.5
83.01387	0.6
89.02452	0.8
92.58112	0.4
93.03506	0.6
101.02423	0.6
105.56998	0.5
107.01391	2.4
109.02988	1.3
113.02468	0.5
119.03481	0.5
124.01707	2.6
125.02445	3.7
134.03842	0.5
135.04524	0.5
136.01689	0.6
136.63350	0.4
137.02432	2.5
137.74869	0.5
138.15216	0.5
151.00409	4.8
151.04045	0.8
152.01175	1.2
153.01935	1.1
161.02477	0.9
163.00409	1.1
164.01160	2.3
165.01906	0.5
169.01505	2.3
169.19737	0.5
175.03999	0.6
178.99898	5.7
185.02394	0.6
192.00670	0.6
199.04120	0.6
203.03499	0.7
204.04269	0.7
214.02740	6.0
215.03395	0.9
227.03485	1.0
232.03749	0.5
242.02216	4.7
243.03001	3.2
259.02518	5.9
259.05338	0.7
259.06024	0.5
261.04065	0.6
270.01758	5.9
271.02505	39.4
272.02866	2.6
281.06622	0.5
287.02014	21.3
287.05209	0.8
288.02563	2.8
316.02255	100.0
317.02899	22.1
318.03342	1.5
343.33441	0.5
376.76834	0.5
381.95422	0.5
405.12128	0.5
449.07227	52.4
450.07532	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	449.1095
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.40909	1.3
57.03454	11.2
59.01369	3.3
61.98833	3.2
65.00332	3.2
69.16714	11.5
71.01402	1.5
73.10688	1.5
76.53406	1.3
81.03449	2.4
83.01386	7.7
89.02426	1.8
93.03431	2.4
98.22611	1.8
107.01392	5.0
107.05054	1.9
109.02952	1.7
110.53814	1.4
113.11644	1.2
123.00841	1.9
124.01602	1.7
125.02457	100.0
126.02796	5.0
131.82846	1.6
135.04567	1.9
139.03955	2.0
149.02461	9.6
151.00403	17.2
152.01118	4.2
153.01944	6.8
163.00389	1.7
167.03474	3.8
169.01407	4.0
173.06081	5.1
177.01897	4.3
177.05563	1.5
178.99849	13.6
179.03497	5.4
184.74358	1.4
197.06059	3.0
201.05544	2.5
202.33624	1.3
206.12973	1.6
215.07106	4.3
225.05551	3.0
241.05153	1.9
243.06596	5.3
259.06116	73.6
260.06375	4.9
269.04553	65.6
270.04941	5.7
287.05643	55.9
287.08881	2.9
288.05890	3.7
420.46835	1.5
449.10898	55.5
450.11404	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	449.1095
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03453	12.7
59.01390	1.4
61.98837	2.3
63.02403	1.2
65.00316	3.9
69.01573	9.2
69.54432	1.0
71.01381	1.0
77.68382	0.8
79.48775	0.9
81.03474	1.9
83.01395	7.8
86.36968	0.9
89.02478	1.0
93.03468	2.2
95.01434	1.1
97.02969	1.7
107.01408	5.5
109.02977	2.6
117.03468	1.1
121.02997	1.5
123.00831	1.6
123.04537	1.4
124.01669	2.3
125.02460	100.0
126.02790	3.8
133.02937	1.9
135.04630	1.3
137.02455	1.7
139.03975	1.4
149.02475	9.1
151.00381	23.5
151.01587	1.3
152.01180	4.5
153.01985	6.5
155.04948	0.9
157.06656	1.0
161.02582	0.9
163.00362	2.0
165.01935	1.0
165.26825	1.0
167.03424	1.0
168.63455	0.9
169.01433	3.4
169.06593	1.6
172.05264	1.2
173.06091	2.8
175.03970	1.2
176.01157	1.1
177.01910	1.1
177.05576	2.4
178.99887	14.8
179.03537	3.4
181.06602	1.2
193.01384	1.0
197.06111	2.7
201.05528	4.3
213.05511	1.1
215.07179	4.0
225.05571	3.5
241.04958	1.8
243.06447	4.2
259.06140	74.9
260.06488	5.4
269.04575	63.4
270.04904	4.7
287.05643	55.2
288.06046	4.2
311.05826	1.4
342.05981	1.9
431.09988	2.0
449.10934	63.4
450.11340	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	449.1092
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
53.42719	0.3
54.18737	0.3
54.80569	0.3
59.01383	0.9
61.64713	0.3
65.42765	0.3
69.03489	0.4
69.35751	1.8
71.01388	1.8
74.07736	0.3
79.01900	0.4
83.01387	0.4
85.02959	0.9
95.01382	0.7
97.02938	0.4
98.22493	0.6
101.02443	0.7
107.01391	5.5
107.05093	0.4
109.36952	0.3
111.00893	1.3
112.47576	0.3
113.02451	1.0
114.80179	0.3
123.00890	4.0
124.01694	0.7
125.02459	25.1
126.02797	0.4
127.00362	0.4
134.03780	1.9
135.04539	100.0
136.04865	3.1
136.98824	0.7
137.02444	0.5
139.00392	1.8
139.36533	0.3
140.01195	1.7
141.01999	0.6
145.58488	0.3
151.00351	3.6
155.00046	0.3
168.00645	1.5
169.01440	35.7
170.01787	1.1
179.03502	0.5
211.02597	0.6
223.02321	0.4
241.03467	0.4
253.03621	0.6
262.20358	0.3
269.04572	0.8
287.05612	0.5
297.06622	0.6
297.09802	5.1
298.09958	0.4
313.05676	27.2
314.06055	1.7
420.16766	0.3
449.10922	50.2
450.11282	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	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42831	0.6
59.01393	6.3
65.03961	0.9
65.75304	0.6
71.01408	3.9
71.26730	0.9
83.01387	1.1
85.02946	1.6
89.02457	1.6
93.03471	58.8
94.03809	2.3
95.01408	2.2
99.00909	1.0
101.02464	2.2
107.01357	0.8
107.08646	1.1
108.02197	3.7
109.02963	7.9
110.00167	0.8
113.02472	1.2
123.00908	2.3
123.04527	1.8
124.01665	1.1
125.02460	4.1
135.04494	0.8
137.02463	100.0
138.02765	4.6
139.00441	1.2
144.87459	0.6
150.04849	0.8
151.00398	2.0
151.07654	2.3
152.01172	1.8
153.02007	0.9
161.04539	1.0
163.79942	0.7
165.01932	0.8
167.03490	4.1
169.01419	4.6
177.05656	0.8
195.06575	1.1
251.12929	2.6
287.05374	1.5
305.19797	0.7
311.07581	3.5
316.02145	1.2
378.57864	0.7
418.13428	0.7
449.14807	2.6
450.15979	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	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42831	0.6
59.01393	6.3
65.03961	0.9
65.75304	0.6
71.01408	3.9
71.26730	0.9
83.01387	1.1
85.02946	1.6
89.02457	1.6
93.03471	58.8
94.03809	2.3
95.01408	2.2
99.00909	1.0
101.02464	2.2
107.01357	0.8
107.08646	1.1
108.02197	3.7
109.02963	7.9
110.00167	0.8
113.02472	1.2
123.00908	2.3
123.04527	1.8
124.01665	1.1
125.02460	4.1
135.04494	0.8
137.02463	100.0
138.02765	4.6
139.00441	1.2
144.87459	0.6
150.04849	0.8
151.00398	2.0
151.07654	2.3
152.01172	1.8
153.02007	0.9
161.04539	1.0
163.79942	0.7
165.01932	0.8
167.03490	4.1
169.01419	4.6
177.05656	0.8
195.06575	1.1
251.12929	2.6
287.05374	1.5
305.19797	0.7
311.07581	3.5
316.02145	1.2
378.57864	0.7
418.13428	0.7
449.14807	2.6
450.15979	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	449.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
55.68566	0.8
57.03455	0.7
58.70678	0.7
59.01386	100.0
60.01711	1.1
61.98840	0.9
68.17503	0.7
69.24092	2.8
69.24519	3.5
71.01019	1.1
71.01391	9.8
73.02956	4.0
73.80177	0.8
83.01387	2.0
85.02976	4.0
87.00871	1.9
89.02450	2.4
89.89878	0.9
95.01379	1.1
99.00876	1.3
101.02463	7.3
109.06621	1.0
113.02493	3.9
121.02972	90.2
122.03302	3.5
125.02486	1.4
127.07672	0.9
161.04601	2.6
177.01990	0.9
215.03372	1.1
227.07159	63.0
228.07541	4.7
230.05794	1.4
245.08057	1.3
256.58759	0.8
269.21088	1.5
273.03177	1.0
287.22318	20.1
288.22638	2.1
301.03470	1.4
302.03510	1.5
316.02539	1.1
431.26300	2.2
443.85162	0.9
449.27612	73.4
450.27893	8.3
461.38867	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	449.1507
Annotation	Suvorexant
Peak:m/z	Relative Intensity
58.21686	2.1
62.96418	26.8
70.16270	5.7
78.95914	72.0
80.97480	36.5
84.90898	1.8
93.19183	2.1
97.82164	1.8
104.93194	1.8
142.18758	2.0
149.00107	16.9
193.47212	2.1
205.15965	10.5
216.55359	2.1
242.98317	4.2
355.16840	24.6
377.62512	1.9
385.17957	20.7
449.15039	100.0
450.15274	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	449.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14786	0.7
51.38456	0.7
52.71988	0.7
53.76682	0.7
59.01384	100.0
60.01736	1.5
70.96696	0.7
71.26441	0.8
85.02984	1.1
88.46143	0.7
96.96067	0.8
109.02949	0.8
120.99688	1.3
137.02449	4.9
140.01196	4.6
145.02991	0.9
152.04849	1.3
155.03577	2.3
157.75566	0.8
168.98344	0.7
184.03838	1.0
197.04636	0.7
201.01886	0.7
203.56163	0.7
212.06879	6.4
217.01509	0.8
227.09270	17.0
227.11487	0.9
228.09665	1.3
229.01472	0.8
258.98846	0.7
270.84659	0.6
275.02020	0.7
300.99973	2.8
410.23657	0.8
449.04138	2.7
449.12631	1.0
455.43542	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	449.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13028	1.2
55.01884	1.9
59.01373	5.3
67.15594	1.2
69.06470	11.6
71.01392	15.1
71.77779	1.2
73.02955	3.0
78.95914	1.7
80.44055	1.2
83.01379	4.7
85.02961	6.1
95.01402	8.1
98.21786	2.6
99.00880	2.6
101.02465	11.2
111.00896	4.2
113.02467	7.3
115.22876	1.1
121.02956	1.9
121.10247	26.7
123.00896	91.8
124.01681	100.0
125.02253	2.3
134.62796	1.3
137.99617	1.8
138.03249	16.7
139.00386	4.0
139.04025	98.4
140.04317	3.1
141.96375	1.3
143.03500	1.5
150.03177	1.2
153.01886	1.7
161.02475	1.9
161.04568	12.3
165.09221	15.9
181.05011	1.4
271.02423	1.9
309.13412	2.1
316.02222	2.3
449.09479	2.2
449.27686	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	449.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.2
63.41349	11.8
67.42452	10.6
69.44671	31.9
69.45083	38.3
71.01395	11.1
83.74567	9.6
85.02982	15.1
88.14594	12.0
95.48821	13.3
98.21839	21.8
99.00925	11.5
101.02454	18.4
170.20586	11.4
251.16528	100.0
281.39090	14.7
287.22180	15.3
413.21500	26.4
449.27628	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01384	66.1
59.88920	0.6
63.38306	0.7
71.01388	2.6
73.02957	1.4
77.07959	0.6
83.01377	2.1
88.09869	0.8
89.02451	1.4
93.03407	0.8
99.04538	1.3
101.02424	1.1
113.02448	1.9
125.02460	6.2
126.02737	0.8
130.97961	0.7
137.02518	1.0
151.00374	1.5
151.04015	2.2
153.01970	1.9
165.12900	1.0
167.03601	0.8
167.10675	0.8
169.01405	1.3
207.13878	3.7
209.11880	6.1
225.14978	7.1
227.12920	30.2
228.13213	1.7
230.01660	0.8
251.12971	1.6
269.13943	8.3
287.15030	100.0
288.15344	5.6
313.05756	0.8
316.02252	1.7
329.16046	2.8
389.18164	0.9
449.20328	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	449.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.3
66.12578	4.0
77.51358	3.6
81.26236	3.4
83.05029	3.6
87.86246	3.5
98.21973	18.3
98.22643	8.8
107.05077	4.9
111.51109	4.1
121.02972	14.4
122.03813	6.5
135.04507	11.9
145.02977	6.9
147.04562	6.6
149.02443	11.9
159.04573	8.7
161.02486	4.3
161.06099	12.2
173.02351	5.2
173.06158	6.4
175.07625	10.2
178.06346	5.6
187.07613	10.4
189.09303	7.7
189.12856	4.6
190.09918	6.3
191.10733	6.9
199.03673	3.6
201.09322	5.1
215.10750	7.7
216.98799	4.0
217.12354	4.4
229.15828	5.1
253.50917	4.6
283.20605	6.9
299.20276	6.3
315.19608	12.1
317.17432	4.6
317.21185	5.2
325.18015	7.1
327.19693	22.9
331.19107	16.1
332.12650	17.0
333.20679	17.1
343.19092	10.8
345.20731	99.9
346.21072	10.3
357.20886	6.6
361.20255	18.1
362.13776	5.2
369.20645	13.2
371.18658	100.0
372.18771	13.8
383.18729	11.4
387.21768	17.3
389.19635	16.7
395.18750	8.7
401.19690	45.4
403.21362	5.5
413.19824	27.1
431.20926	25.3
449.21796	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45975	1.3
78.95910	75.0
81.88481	0.4
83.14046	0.4
84.60542	0.4
95.75393	0.3
96.96971	6.3
133.02962	8.9
134.03825	0.5
135.04538	2.3
150.97986	1.5
152.99599	100.0
153.99988	1.9
155.00056	0.6
161.02454	34.8
162.02748	1.2
171.00621	2.7
179.03491	0.9
195.13695	0.4
229.88641	0.4
287.22247	4.4
295.22528	1.0
303.03827	0.5
379.51886	0.4
449.23425	17.9
450.24078	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	449.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
70.30605	1.0
78.95911	62.0
91.88552	0.4
96.96964	6.4
100.98550	0.4
116.92878	0.4
150.97997	1.7
152.99602	100.0
153.99986	1.2
161.02480	0.4
171.00674	3.6
247.77029	0.4
263.14029	0.4
316.02533	0.6
449.23132	11.6
450.23410	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	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.6
59.01387	100.0
61.98822	1.2
70.61658	2.5
70.61994	2.9
71.01401	10.6
73.02950	3.1
83.01396	1.5
85.02960	4.2
87.00859	1.6
89.02446	6.4
92.38937	1.4
101.02460	9.5
113.02483	4.6
119.03492	2.3
125.02469	3.7
126.90437	3.6
127.44541	1.3
143.03494	2.2
152.15356	1.1
155.10858	2.5
161.04599	12.0
169.01463	3.2
179.05621	1.4
213.32896	1.5
227.16542	7.9
287.05609	2.4
300.99902	2.4
315.98761	2.1
316.02243	4.0
316.99448	2.7
317.02744	2.2
389.21976	6.7
433.20871	1.6
449.03348	3.0
449.24384	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	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01387	100.0
60.01725	0.9
61.98825	2.0
69.20660	4.1
71.01017	0.7
71.01382	5.2
73.02931	1.8
83.01380	2.3
85.02951	1.7
89.02451	3.1
89.18194	0.5
94.45979	0.5
95.01426	0.7
99.00895	0.5
101.02451	4.2
103.20669	0.5
103.85027	0.5
103.89632	0.5
107.01421	0.7
113.02481	2.9
113.90416	0.4
119.03523	0.6
119.04970	0.5
124.38260	0.5
125.02460	11.2
133.02959	0.7
133.36034	0.5
143.03554	0.5
149.02429	0.6
149.36148	0.5
151.00359	2.2
153.01903	1.1
154.84467	0.5
161.04588	4.0
178.99895	1.1
195.17926	0.4
215.07114	1.1
217.01544	0.6
241.05028	0.6
243.06825	0.6
259.06158	6.6
269.04599	6.3
270.04822	0.7
273.00391	0.8
275.01352	0.9
287.05673	5.0
300.99982	1.1
370.51852	0.5
372.98022	0.6
383.71710	0.6
389.21851	3.4
421.03271	0.6
449.11139	4.9
450.11057	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	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55197	0.9
55.01891	0.9
55.15562	0.8
59.01385	100.0
60.01711	1.4
65.99541	0.8
71.01395	10.8
71.05043	1.3
71.26325	0.8
71.26739	1.6
72.30953	0.8
72.99274	1.0
73.02940	2.5
81.98203	1.0
85.02945	3.5
89.02452	6.0
95.01357	1.3
97.02995	0.8
99.00895	1.1
101.02436	6.9
112.36802	0.8
113.02450	3.4
119.03535	2.2
119.05029	1.0
125.02441	2.2
125.16904	0.9
126.90382	1.9
139.92680	0.8
143.03534	1.2
152.30658	1.1
155.10812	3.8
159.02971	1.9
161.04588	10.0
169.01430	2.0
179.05579	2.2
183.36404	0.9
227.16542	8.1
273.00412	1.2
287.05643	1.2
300.99792	3.5
316.02249	2.8
316.99451	1.9
389.21823	6.6
449.24387	1.7
455.46436	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	449.255
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
52.01023	0.9
52.41462	1.0
56.66909	1.0
76.37359	0.9
78.95907	2.1
86.50904	1.0
92.05901	1.0
98.21744	2.4
102.57616	1.0
113.34338	1.1
116.12083	1.2
116.92856	2.5
117.03490	1.6
123.46833	0.9
133.02975	21.8
134.03769	5.8
135.03500	1.9
135.04536	31.5
136.04910	1.0
137.02464	3.3
152.99597	1.9
161.02461	100.0
162.02776	4.2
165.38959	0.9
179.03516	11.0
180.03859	1.0
287.22308	9.1
288.22614	1.6
431.24451	3.9
449.25500	64.0
450.25742	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	449.2551
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
59.01377	0.8
59.70803	0.8
60.24288	0.7
61.98837	1.1
70.84824	1.7
75.38699	0.8
78.28600	0.8
78.95914	58.2
81.66247	0.8
88.31560	0.8
96.96960	2.8
99.55694	0.9
110.93276	1.0
117.03470	1.4
133.02966	20.4
134.03699	2.5
135.04524	6.2
137.02493	1.0
150.98053	1.2
152.99599	78.8
153.99907	1.0
155.00078	1.1
161.02457	100.0
162.02780	3.2
166.86115	0.9
171.00639	2.2
179.03494	1.4
208.75674	0.8
210.64325	0.8
218.33273	0.8
252.50798	1.0
286.68286	1.2
287.22360	12.8
431.24182	2.1
441.36270	1.0
449.25644	40.5
450.25793	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	449.276
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01885	1.4
57.03432	1.0
58.00596	0.6
59.01384	11.4
62.57331	0.3
67.79468	0.3
68.99821	0.3
69.03451	0.7
69.21790	2.2
71.01387	11.1
72.99290	1.2
73.02947	3.0
83.01382	3.4
85.02471	0.4
85.02959	5.4
86.00069	0.4
87.00905	2.0
89.02463	2.7
95.01374	1.3
98.22597	0.4
99.00903	1.6
99.08142	0.4
101.02445	6.8
111.00875	1.1
112.01680	0.6
113.02469	2.9
119.03535	0.4
124.01669	0.6
125.02437	0.9
129.09221	0.3
132.71225	0.3
141.01903	0.3
141.12886	0.8
145.48659	0.2
151.00467	0.4
173.30681	0.3
191.05655	0.8
241.21698	0.9
269.21210	2.9
271.02420	0.4
285.20798	0.7
287.22299	34.9
288.22614	2.8
299.22339	0.6
301.03253	0.3
302.03461	0.6
303.04181	0.7
316.02274	0.6
329.23062	0.4
405.03796	0.3
431.26547	3.9
432.27042	0.4
449.27576	100.0
450.27933	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	449.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03460	1.3
58.00580	0.8
59.01385	22.2
63.10783	0.5
69.08158	2.5
69.08589	2.4
71.01389	10.7
72.99299	1.6
73.02953	3.1
73.72960	0.4
83.01381	2.8
85.02968	5.2
86.00149	0.6
87.00873	1.9
89.02449	1.8
95.01383	0.8
96.89571	0.5
97.02932	0.5
99.00866	1.2
99.08144	0.6
101.02460	6.7
111.00875	1.0
113.02441	2.7
121.02970	9.0
124.01625	0.7
125.02419	1.1
141.12869	0.5
163.18364	0.5
194.83015	0.4
205.61862	0.8
227.07144	6.4
230.45505	0.6
239.37520	0.5
269.21268	1.1
287.22311	26.5
288.22522	1.9
329.23407	0.8
431.26575	4.7
449.27588	100.0
450.27982	11.2
474.50491	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	449.2892
Annotation	Chaksine
Peak:m/z	Relative Intensity
50.82603	0.4
59.01370	1.2
61.98832	0.6
69.05515	4.3
71.01356	0.8
86.11745	0.4
89.97810	0.4
91.97431	0.4
92.55148	0.4
96.96031	6.5
96.96975	0.5
123.24210	0.4
153.36433	0.4
183.13916	16.0
184.14265	0.8
195.13916	14.2
196.14275	0.7
211.13477	0.6
213.14977	100.0
214.15317	4.6
223.13135	1.7
235.13116	2.7
237.11261	0.6
267.12134	2.0
269.21277	0.9
279.12286	2.2
332.39941	0.5
419.26575	0.6
449.28729	21.6
450.29105	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	451.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66837	0.4
57.03453	0.4
57.93430	0.3
59.01376	0.7
64.07244	0.3
71.01365	0.5
71.26064	0.4
72.43089	0.3
79.95758	2.3
82.14701	0.3
85.02966	3.2
96.96018	100.0
97.95972	0.4
105.10781	0.3
107.01434	0.4
113.92629	1.5
115.92100	0.7
125.02460	1.2
129.01958	1.0
135.04506	0.9
139.91457	0.4
145.03003	0.4
160.94870	0.3
161.02509	0.8
163.00443	0.4
169.01442	1.4
173.00958	0.3
182.99789	0.6
189.01917	1.0
191.00542	0.5
191.01996	2.5
191.03548	1.1
191.05424	0.4
205.01317	0.4
207.37675	0.3
217.01421	1.3
226.98750	0.5
229.01167	0.4
245.00995	0.7
245.69363	0.4
247.02539	0.8
248.97232	0.8
259.99588	0.4
261.00525	0.9
263.01913	0.6
270.98898	0.9
271.02759	0.3
273.00323	0.6
275.02194	0.6
279.08264	0.4
288.99600	1.1
300.99881	1.0
303.01730	0.5
391.03296	0.4
407.06213	0.4
451.05289	1.6
468.74481	0.4
477.12064	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	451.0709
Annotation	glycosmisic acid sulfate
Peak:m/z	Relative Intensity
57.03445	1.0
61.69618	0.3
68.12493	0.3
74.45853	0.3
79.95754	4.6
81.03448	0.3
83.01389	0.8
93.03466	0.5
95.05077	0.4
96.96024	100.0
97.02956	0.4
98.21808	0.7
108.02185	0.5
109.02964	5.4
110.97630	0.3
118.19363	0.2
121.02964	0.4
123.04531	1.1
125.02460	5.8
126.02766	0.3
133.03001	1.8
134.03795	0.3
135.04547	6.3
136.10814	0.2
137.02458	10.6
145.02945	0.5
147.04538	0.8
149.02429	0.3
150.03210	0.3
151.04027	1.2
159.04564	1.3
160.05325	0.6
161.02463	5.9
161.06052	0.7
164.01091	0.3
165.01927	0.3
175.04033	0.8
179.03526	6.3
184.04095	0.3
188.04773	0.3
203.03534	1.7
203.07109	1.3
205.05020	0.6
227.07191	0.3
239.07022	0.4
245.08171	1.1
247.06125	0.4
254.05911	0.3
267.06656	1.6
269.08176	2.4
271.06082	0.7
282.09073	0.3
289.07239	6.2
311.05682	0.5
313.07129	0.4
326.07910	1.1
327.08859	0.4
341.10345	0.5
358.34692	0.3
407.11365	0.4
451.06982	23.5
452.07205	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	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.9
59.01386	4.4
67.01932	0.8
69.03490	0.9
69.47806	2.0
69.48205	1.4
71.01386	8.6
73.02982	1.4
79.01935	1.0
81.03468	0.8
82.11095	0.7
83.01425	1.6
85.03004	2.7
89.02505	2.2
93.03464	18.2
94.03868	1.1
95.01426	1.3
97.03013	2.2
99.04559	0.6
101.02454	3.2
104.17158	0.7
107.01405	11.4
108.02303	0.6
109.03012	2.0
111.00867	2.9
113.02504	2.4
119.05049	1.0
123.00913	12.1
123.01780	1.1
123.04539	1.0
124.01705	1.1
125.02464	74.6
126.02810	2.4
135.04544	0.6
136.98822	1.6
137.02463	27.7
138.02779	0.8
138.05649	1.5
139.00404	4.9
140.01186	3.6
149.02376	0.9
151.00392	11.6
151.04050	1.9
152.01161	1.0
153.01981	2.4
161.02493	1.3
163.00438	0.8
165.01895	0.8
167.03578	1.8
168.00621	5.6
169.01443	100.0
170.01797	3.9
179.03523	1.7
193.01434	1.2
211.00647	0.9
211.02489	10.4
223.02460	0.8
241.03581	4.4
243.06465	0.8
245.00818	0.8
271.02124	0.8
271.04636	9.8
272.05054	0.7
273.00357	1.5
274.01062	1.4
288.02618	1.7
289.03210	1.3
289.06775	1.0
296.06262	0.7
299.07608	1.7
313.05688	60.1
314.05963	4.6
331.06473	2.5
391.06149	0.8
407.09354	2.6
451.08292	52.2
451.25195	1.2
452.08417	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	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.5
69.16808	5.2
69.17230	4.8
87.13571	1.3
93.03462	32.1
95.01422	1.6
96.96019	76.1
97.02947	2.1
98.21746	1.6
109.02987	1.8
123.00890	6.8
124.01666	18.9
125.02457	41.0
125.03349	2.7
133.82431	1.3
137.02460	60.5
138.02832	2.6
149.99599	30.9
151.00340	3.2
156.54895	1.4
161.02472	1.4
167.03502	1.5
168.00653	63.0
169.01433	9.7
211.36792	1.4
227.03542	5.5
235.59973	1.2
247.13396	4.4
266.33450	1.5
313.05676	19.1
331.06705	37.9
332.06995	2.8
451.08838	100.0
452.09198	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76686	1.1
59.01375	8.9
66.59563	1.2
67.01896	1.6
69.03439	2.2
71.01386	10.7
72.99300	1.2
74.53953	0.9
79.01908	2.2
83.01413	1.5
85.02943	3.4
89.02465	2.7
93.03465	42.0
94.03809	1.5
95.01405	3.4
97.02965	1.5
98.22628	2.4
101.02445	3.7
107.01410	17.1
109.02932	1.6
111.00867	3.6
113.02468	2.2
119.05038	3.2
123.00908	25.7
124.01675	3.8
125.02460	80.1
126.02815	2.4
135.04510	1.4
136.98795	2.6
137.02461	61.9
139.00415	9.0
140.01187	6.4
141.01913	1.7
151.00401	18.5
152.00824	1.5
153.01892	1.4
161.02370	1.2
167.03574	1.2
168.00587	7.6
169.01437	100.0
170.01855	2.6
179.38652	1.1
211.02464	7.8
218.02229	2.1
223.02400	1.2
241.03564	3.8
245.00922	10.1
250.69585	1.1
271.04559	7.4
273.00427	22.7
274.01129	11.0
288.02786	19.7
289.03546	10.1
299.07800	3.6
313.05698	63.8
314.06064	4.0
316.75089	1.2
407.10123	6.6
451.08289	41.5
451.12650	57.6
452.08475	3.8
452.12961	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89913	0.7
59.01387	3.5
68.92321	0.7
69.45123	1.7
69.45530	3.7
71.01382	7.0
73.02947	2.0
79.01945	0.7
83.01395	1.4
85.02969	2.1
87.00899	0.8
89.02453	1.4
93.03468	63.9
94.03814	1.3
95.01411	2.4
99.93014	0.7
101.02477	2.8
107.01395	10.0
107.05079	0.9
111.00881	1.2
112.50155	0.7
113.02467	2.5
123.00890	10.4
124.01734	1.8
125.02460	52.7
126.02811	0.9
126.28274	0.7
127.00398	0.8
137.02458	100.0
138.02768	3.4
139.00368	2.9
140.01195	1.8
141.01930	1.0
151.00391	7.5
167.03510	1.1
168.00668	1.7
169.01442	68.6
170.01779	1.8
181.73322	0.7
211.02548	2.4
241.03578	2.3
271.04529	1.7
273.00421	1.7
281.63373	0.8
288.02872	1.2
299.07758	7.4
313.05682	81.5
314.06064	4.3
407.09854	12.3
408.09839	0.8
451.08780	39.1
451.25568	2.3
452.09354	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	451.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01381	1.0
69.03469	0.8
71.01386	1.3
76.59235	0.7
93.03469	56.1
97.02941	1.5
98.22491	1.6
101.02464	1.2
107.01421	1.2
109.02969	3.3
123.00869	2.2
123.04533	5.4
124.01671	1.6
125.02464	46.3
126.02814	2.2
133.02977	1.3
137.02463	100.0
138.01894	1.6
138.02809	3.0
147.04390	1.0
151.04015	1.3
167.03513	9.6
168.00713	2.9
169.01447	56.1
170.01785	2.1
177.01932	1.9
189.01926	3.8
190.02760	1.3
191.03511	1.3
210.35730	0.7
217.01402	1.5
219.03055	1.2
219.22284	0.9
225.04164	0.9
231.03098	0.8
285.06097	1.3
289.04019	1.1
289.07196	7.1
304.03806	2.0
312.88889	0.8
313.05719	9.7
331.06604	3.7
341.06735	6.6
342.07156	1.1
342.50537	0.9
451.08981	23.8
452.09262	3.0
470.49768	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	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21787	0.6
59.01395	2.9
65.64143	0.6
69.03471	0.7
69.83229	0.6
71.01383	8.6
71.26968	0.8
71.27364	1.0
72.99303	0.9
73.02956	1.3
83.01399	1.6
85.02969	1.5
89.02444	0.9
91.12509	0.6
93.03471	22.4
93.04047	1.3
95.01434	1.3
97.02969	1.7
101.02435	3.3
101.75073	0.6
107.01398	9.7
109.02954	0.7
111.00921	1.5
113.02496	1.5
123.00900	7.1
124.01697	1.2
125.02463	62.6
126.02802	1.2
127.88036	0.6
135.04570	1.1
136.98830	1.1
137.02460	36.5
139.00351	3.4
140.01199	2.3
141.01935	1.3
151.00386	8.6
151.04041	0.8
161.02467	0.8
165.01842	0.8
167.03566	1.2
168.00638	4.6
169.01443	97.5
170.01796	3.2
179.03581	0.7
195.06653	0.7
211.02481	10.7
212.26469	0.6
217.01495	0.7
241.03539	6.1
246.73044	0.7
271.04614	21.3
272.05017	1.5
276.54083	0.7
307.12271	0.6
313.05673	100.0
314.06073	6.9
331.06726	2.8
391.06750	2.4
451.08856	9.6
452.08594	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	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.5
68.98133	4.0
69.03459	0.5
69.24786	0.4
79.95745	5.7
81.03467	1.0
83.01403	2.8
83.01833	0.5
93.03474	1.5
95.01379	0.5
95.05061	0.8
96.96025	100.0
97.02956	1.4
97.95940	0.6
98.22480	0.8
107.05047	0.4
108.02185	1.1
109.02970	17.8
110.03327	0.6
116.42012	0.4
117.03463	0.4
117.82027	0.4
121.02957	0.9
123.04552	3.4
125.02465	17.7
126.02871	0.4
131.05029	0.5
133.02994	5.4
134.03758	0.7
135.04547	18.4
136.04881	0.6
137.02466	34.4
138.02792	1.6
139.04019	0.9
145.02983	2.3
146.03772	0.6
147.04553	2.3
149.02441	1.7
150.03342	0.4
151.04065	2.7
153.09230	0.4
159.04549	5.2
160.05344	0.7
160.33246	0.4
161.02470	16.4
161.06070	1.6
162.02852	0.8
164.01237	1.0
165.01932	1.3
167.03442	0.4
169.01450	1.3
171.04510	0.5
175.03993	1.8
175.07599	0.6
179.03516	17.5
180.03758	1.0
185.06004	0.8
186.62663	0.4
187.03998	1.4
188.04726	0.9
191.03754	0.4
197.05861	0.5
201.05424	0.3
202.06319	0.5
203.03560	5.5
203.07173	2.7
203.70009	0.4
205.05121	1.9
221.08092	0.6
227.07121	1.1
239.07254	0.5
242.47980	0.4
245.08279	3.0
253.05011	0.7
255.67342	0.4
267.06589	2.0
269.08252	9.0
270.08456	1.1
271.06100	1.5
279.06442	0.7
281.08008	1.0
282.08783	0.5
285.07446	0.5
289.07236	15.0
290.07608	1.0
297.07761	0.4
311.05655	0.6
313.07092	0.7
313.59232	0.5
315.05255	0.5
325.07120	0.9
326.07849	0.8
341.06448	1.1
342.06805	0.5
407.03455	0.4
407.11145	1.0
451.06784	22.5
452.06915	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	451.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
71.01373	0.9
71.27283	1.3
89.04012	0.7
93.03477	2.5
95.05030	0.7
95.42297	0.8
108.02176	1.2
109.02956	24.7
110.03301	1.0
116.18204	0.8
117.03442	1.0
119.05064	1.5
121.02948	1.0
122.03690	1.5
123.00949	1.3
123.04537	12.0
124.01669	2.9
125.02444	7.8
133.03001	4.7
134.03812	1.2
135.00974	1.1
136.01669	11.2
137.02466	4.2
139.04039	6.4
145.02927	2.1
147.04546	3.8
149.02473	1.6
151.00421	1.1
151.04027	18.8
151.05255	1.1
159.04550	1.9
161.02440	6.6
162.03177	1.1
163.00516	0.7
163.04050	1.4
167.03506	2.6
168.96246	0.8
169.01408	6.0
176.01099	0.9
177.01945	26.9
178.02243	1.9
180.33192	0.9
183.93190	0.8
187.04086	1.9
188.04665	0.9
189.01945	52.6
190.02678	11.9
191.03500	8.0
201.01942	1.0
203.03539	5.2
216.00601	5.8
217.01427	32.6
218.01888	3.1
219.03012	10.9
231.02992	10.7
241.05101	2.2
269.04562	0.9
271.09854	1.1
281.04538	1.8
283.06186	1.3
287.05743	1.2
289.07217	2.8
295.06503	0.8
297.07605	2.6
299.05576	4.6
300.12366	1.4
311.05154	4.8
313.06192	0.7
323.05530	1.5
329.85681	0.8
341.06677	100.0
342.07056	9.5
357.06201	8.6
451.10416	22.1
452.11032	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	451.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
58.00469	0.5
58.47750	0.6
81.03461	2.1
83.01389	2.4
93.03471	1.1
95.01378	0.8
95.05036	2.5
97.02970	4.2
100.71164	0.6
107.05036	0.8
109.02248	1.1
109.02969	18.5
116.92893	0.7
121.02971	2.1
122.03761	0.7
123.00922	0.6
123.04536	12.2
124.01672	0.7
125.02469	13.9
135.04558	1.0
137.02469	8.9
139.04024	3.2
145.02965	1.1
149.02470	5.7
150.03072	1.0
151.04024	7.9
157.06660	0.5
159.04517	2.2
160.05296	1.4
161.02452	2.1
161.06093	5.6
162.03239	1.3
163.03967	1.1
164.01132	3.1
165.01996	3.4
167.03496	1.4
169.01398	0.7
173.05992	0.9
175.03998	1.7
175.07692	1.6
177.05629	0.8
179.03519	4.9
185.06110	0.5
187.04033	3.0
188.04813	3.0
193.05045	0.7
199.07642	1.0
202.06372	1.9
203.03491	0.9
203.07152	10.4
204.07434	0.9
205.05099	6.4
221.08212	2.0
226.54813	0.6
227.07121	2.1
228.71689	0.7
245.08215	14.3
246.08583	0.8
247.06126	0.9
271.06097	1.8
289.07220	100.0
290.07562	7.8
313.07251	2.2
374.79605	0.6
451.12292	0.7
468.53854	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	451.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45156	0.9
56.71930	0.9
57.03466	2.4
59.01383	2.7
63.46508	0.9
66.32407	0.8
69.10001	3.9
69.10431	4.0
71.01384	1.4
81.03471	2.9
83.01398	5.2
83.24784	0.9
89.02503	0.9
93.03503	2.2
95.01452	1.3
95.05043	2.5
96.96035	10.4
97.02967	7.7
98.21721	1.7
98.24382	0.8
99.92603	1.2
108.02189	1.3
109.02966	28.6
115.92112	4.7
116.92877	5.7
119.05071	1.0
121.02967	6.2
123.00931	1.3
123.04538	22.3
125.02460	22.7
126.02915	1.4
133.02985	1.6
135.04565	2.0
137.02466	37.8
138.03326	1.2
139.04034	6.6
145.03043	2.4
146.03789	1.2
147.04488	1.5
149.02470	8.4
150.03323	1.6
151.04039	16.6
151.05247	1.0
153.28888	0.9
159.04564	3.7
160.05441	1.6
161.02454	5.9
161.06113	7.4
162.03230	3.1
164.01151	6.6
165.01974	10.6
166.02715	1.5
167.03508	2.7
169.01479	2.8
174.03273	1.1
175.04044	4.3
175.07632	1.8
177.05637	2.0
179.03513	8.7
185.06047	1.6
187.04002	7.3
188.04810	6.4
199.07690	1.0
201.05531	1.2
202.06441	2.9
203.07166	18.2
204.04312	1.1
205.05109	12.5
215.47314	1.0
217.08809	1.1
221.08162	7.5
227.07219	3.6
230.05936	1.3
245.08214	35.1
246.08705	2.5
247.06195	2.4
255.55998	1.0
270.98935	1.4
271.06174	3.4
289.07211	100.0
290.07477	7.9
350.52789	1.1
374.47940	1.0
404.62839	1.1
407.06021	1.7
451.12625	53.4
451.25681	1.6
452.12845	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	451.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11230	9.8
69.05421	86.7
77.84388	8.0
81.53798	8.9
82.39436	8.7
92.73995	9.1
106.75766	8.0
125.24213	7.4
129.08621	9.3
169.01396	12.5
246.66908	9.0
253.18102	100.0
310.95721	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	451.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20305	0.9
61.98838	1.6
69.05998	10.0
70.81313	0.8
70.95868	1.1
79.95738	2.1
83.01365	1.3
93.03469	22.7
93.04047	1.5
96.96019	100.0
97.02959	1.2
109.02980	1.3
113.02497	1.0
116.72224	1.0
118.08772	0.9
118.37412	1.0
123.00893	3.8
123.04543	1.3
124.01675	9.7
125.02470	20.1
128.14357	1.0
134.03726	0.9
137.02454	33.6
138.02844	0.9
148.05345	1.0
149.99596	19.3
151.00346	1.7
152.03555	1.3
168.00652	39.7
169.01436	4.6
189.01857	1.8
222.31731	1.0
227.03600	2.2
244.77945	0.9
247.13361	5.7
287.90887	1.0
313.05676	8.8
331.06735	19.6
332.07239	1.8
341.06595	1.3
451.08810	56.0
452.09177	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	451.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62463	3.5
59.01382	4.2
61.98833	4.7
65.00327	3.5
71.01385	9.6
71.27383	3.1
71.27807	6.1
73.01807	3.7
84.06886	5.4
93.03453	9.1
95.01363	4.2
97.02969	4.9
101.02401	4.3
107.01386	11.8
109.02960	31.9
123.00896	13.8
123.04510	12.9
125.02452	46.2
126.02800	5.7
133.02945	8.3
135.04541	10.8
137.02470	22.5
147.04514	5.2
151.03975	10.5
161.02438	11.8
169.01445	49.3
170.01839	4.7
177.01941	26.6
177.49878	3.7
189.01958	46.8
190.02623	11.5
191.03615	8.7
216.00616	12.6
217.01379	24.3
219.03027	10.6
222.45044	4.4
231.02992	7.4
245.01033	5.4
251.45776	3.8
273.00452	4.7
281.04492	7.4
289.07169	5.5
297.07816	7.0
299.02069	5.3
301.00024	5.0
324.99829	9.2
341.06671	100.0
342.06995	8.1
401.03687	5.6
451.10406	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	451.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.1
55.17116	0.6
57.03453	5.5
58.00605	1.9
59.01387	39.7
61.98838	3.2
62.14273	0.7
69.03466	2.8
70.72603	1.3
71.01390	100.0
72.01717	1.7
72.99333	4.5
73.02953	33.1
75.00874	2.6
81.03468	1.2
83.01394	14.7
83.05090	0.7
84.02210	0.9
85.02959	43.7
86.03321	0.9
87.00884	4.6
89.02453	23.8
93.03474	1.4
95.01397	9.2
96.96027	0.9
97.02951	4.9
99.00888	14.0
101.02452	78.7
102.02821	1.3
107.01423	2.9
109.02968	1.6
111.00912	2.7
113.02458	39.9
114.02836	0.9
115.03977	0.7
119.03520	11.2
119.05005	1.5
121.02967	0.9
123.00922	3.5
123.04591	1.2
125.02464	15.5
126.02815	0.8
127.11340	1.4
129.01967	2.0
131.03540	1.2
137.02455	3.3
139.00392	1.8
141.01968	1.4
143.03525	5.4
145.02966	1.6
147.04573	1.0
149.04532	1.2
157.00648	19.0
158.00995	0.9
159.03001	9.8
161.02455	2.0
161.04575	41.3
163.00418	1.2
163.04103	1.3
166.61880	0.7
166.99904	1.9
167.03467	1.0
169.00156	1.3
169.01454	11.1
170.01793	1.4
171.00925	0.8
173.02478	0.7
175.03954	0.9
177.01949	1.3
179.05646	2.4
187.00417	1.3
189.02039	4.3
191.03513	1.1
201.01953	0.9
203.03615	1.3
205.03632	1.5
217.01463	3.2
221.06670	1.9
229.01430	1.4
233.06577	1.2
245.01109	1.5
245.06732	1.0
247.02483	1.9
263.07947	1.1
270.98956	3.8
271.01794	0.7
273.00464	3.4
274.01160	0.8
275.02151	2.1
289.16580	24.3
290.16937	2.1
300.99844	6.2
315.01462	0.7
320.13773	0.8
323.09912	1.2
341.06726	2.8
365.45007	0.9
375.01642	1.0
451.11188	1.4
451.21869	26.6
452.21991	3.7
453.29205	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	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03444	6.1
58.00591	5.3
59.01385	100.0
60.01701	1.9
63.02397	1.5
66.93746	1.5
69.03451	3.0
69.20951	10.3
71.01389	91.2
72.01711	1.9
72.99311	5.0
73.02951	19.8
74.43964	1.4
81.03465	5.0
83.01391	11.5
84.97388	1.6
85.02963	22.7
87.00890	4.2
87.04520	3.6
89.02455	88.6
90.02784	2.0
93.03470	5.8
95.01403	6.4
95.05040	3.9
97.02974	5.0
99.00907	3.8
99.04537	3.5
101.02455	59.2
103.04037	5.1
105.03426	1.5
106.81980	1.4
107.01423	2.9
108.02204	1.5
109.02969	6.0
111.00909	1.7
113.02464	31.7
119.03513	42.1
119.04350	2.3
121.02905	1.7
123.00912	5.0
123.04530	10.9
124.01705	2.3
125.02459	84.5
126.02863	3.4
131.03505	3.6
135.04553	5.6
137.02469	13.7
137.06119	4.6
139.00395	2.7
139.04083	1.9
143.03532	6.9
147.11818	2.7
149.02512	2.1
149.04578	3.2
151.00401	5.8
151.03972	6.8
152.01120	1.9
153.01956	3.4
159.02977	1.8
161.02489	3.0
161.04570	15.2
165.01837	1.5
165.05562	1.9
166.99951	1.8
167.03522	32.3
168.00690	2.2
169.01443	99.4
170.01793	2.9
179.03506	2.9
179.05615	22.1
193.01553	1.9
197.04602	2.6
203.07196	1.6
209.04550	17.8
221.04665	2.1
239.05606	1.7
243.03244	2.5
273.00375	1.9
288.02921	2.7
289.07248	4.0
289.20224	47.3
290.20596	2.8
300.99887	2.3
303.05103	2.8
311.05283	2.7
313.05746	4.3
331.08246	34.5
332.08646	4.3
345.03220	1.6
361.09241	7.3
380.89276	1.6
451.08844	7.9
451.13400	4.0
451.25552	58.3
452.11700	1.5
452.25906	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	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03444	6.1
58.00591	5.3
59.01385	100.0
60.01701	1.9
63.02397	1.5
66.93746	1.5
69.03451	3.0
69.20951	10.3
71.01389	91.2
72.01711	1.9
72.99311	5.0
73.02951	19.8
74.43964	1.4
81.03465	5.0
83.01391	11.5
84.97388	1.6
85.02963	22.7
87.00890	4.2
87.04520	3.6
89.02455	88.6
90.02784	2.0
93.03470	5.8
95.01403	6.4
95.05040	3.9
97.02974	5.0
99.00907	3.8
99.04537	3.5
101.02455	59.2
103.04037	5.1
105.03426	1.5
106.81980	1.4
107.01423	2.9
108.02204	1.5
109.02969	6.0
111.00909	1.7
113.02464	31.7
119.03513	42.1
119.04350	2.3
121.02905	1.7
123.00912	5.0
123.04530	10.9
124.01705	2.3
125.02459	84.5
126.02863	3.4
131.03505	3.6
135.04553	5.6
137.02469	13.7
137.06119	4.6
139.00395	2.7
139.04083	1.9
143.03532	6.9
147.11818	2.7
149.02512	2.1
149.04578	3.2
151.00401	5.8
151.03972	6.8
152.01120	1.9
153.01956	3.4
159.02977	1.8
161.02489	3.0
161.04570	15.2
165.01837	1.5
165.05562	1.9
166.99951	1.8
167.03522	32.3
168.00690	2.2
169.01443	99.4
170.01793	2.9
179.03506	2.9
179.05615	22.1
193.01553	1.9
197.04602	2.6
203.07196	1.6
209.04550	17.8
221.04665	2.1
239.05606	1.7
243.03244	2.5
273.00375	1.9
288.02921	2.7
289.07248	4.0
289.20224	47.3
290.20596	2.8
300.99887	2.3
303.05103	2.8
311.05283	2.7
313.05746	4.3
331.08246	34.5
332.08646	4.3
345.03220	1.6
361.09241	7.3
380.89276	1.6
451.08844	7.9
451.13400	4.0
451.25552	58.3
452.11700	1.5
452.25906	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	451.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	0.4
61.23594	0.1
69.03448	0.2
70.58716	0.4
71.01376	0.3
80.05061	0.2
81.03468	8.1
82.03790	0.3
83.01424	0.2
83.05035	22.8
84.04514	0.1
84.05357	0.4
93.03475	0.6
100.07698	0.3
101.02472	0.2
101.52743	0.2
107.06167	0.7
108.02180	0.2
108.04543	0.7
109.02978	0.2
111.08691	0.2
123.00898	0.5
124.01657	1.0
125.02454	2.2
125.07213	3.1
126.05634	0.5
131.53520	0.2
137.02452	1.4
138.05634	0.2
139.00436	0.3
143.08295	1.5
149.99602	1.6
153.01959	0.3
157.13428	0.2
168.00685	2.6
169.01401	0.6
183.15135	0.1
207.15051	3.1
208.13332	0.2
208.15228	0.2
224.17702	4.1
225.16100	11.6
226.16417	0.6
242.18726	1.5
250.15891	0.2
268.16550	0.2
281.06503	0.2
289.07297	0.3
307.23840	0.3
309.21780	0.6
313.05688	0.5
322.00711	0.1
322.25214	0.2
324.26520	1.8
331.06839	0.5
333.22961	3.9
334.23517	0.3
351.24097	0.8
367.27026	1.3
368.27274	0.2
385.28036	0.2
433.31827	5.9
434.32138	0.6
440.11841	0.1
446.64969	0.1
451.08630	4.0
451.32922	100.0
452.08755	0.4
452.33218	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60468	0.4
59.01384	0.6
62.26099	0.4
66.98250	0.4
67.01920	0.5
68.99815	0.5
71.01383	3.3
72.21277	0.4
73.02962	0.4
79.01904	0.5
81.03477	0.4
83.01396	0.5
83.05052	1.1
85.02953	1.1
95.01424	1.0
101.02486	1.3
104.47086	0.4
107.01406	5.3
108.02185	14.2
109.03035	0.6
111.00906	1.1
121.02968	0.4
123.00900	7.1
123.04537	0.5
124.01791	2.3
125.02459	31.4
126.02803	0.8
137.02466	0.8
138.01985	100.0
139.00395	2.0
139.02332	3.6
139.04016	0.5
140.01135	1.1
140.04333	0.4
141.01959	0.8
151.00389	4.4
151.02777	0.5
153.01949	1.0
165.01973	0.5
167.03525	1.6
168.00653	1.8
168.03830	0.6
169.01442	42.3
170.01759	1.4
186.48291	0.4
211.02533	2.1
238.04350	0.4
241.03568	1.3
271.04587	1.2
311.07803	0.5
312.08087	1.5
313.05676	68.3
314.05933	5.0
348.91577	0.4
451.32965	1.7
452.08203	30.0
452.33069	2.1
453.08456	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	452.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91084	4.4
59.01382	8.9
61.98837	100.0
69.06445	27.8
69.06872	16.0
71.01405	7.0
72.81174	4.6
80.91681	6.6
82.08488	4.7
91.77982	4.3
101.02451	7.5
109.08155	4.4
120.71545	4.2
121.02934	5.9
125.02457	15.9
145.03046	4.8
159.08516	4.4
169.01443	21.3
204.85446	4.1
226.11588	5.6
255.06671	16.3
263.82596	4.6
301.03513	6.7
395.78522	5.0
451.28015	24.3
452.28665	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58884	0.4
61.98831	0.7
62.73351	0.4
71.21084	0.6
75.70886	0.5
78.95908	18.8
122.00091	0.4
125.02458	0.5
140.01213	3.8
147.89362	0.4
152.99583	1.7
163.36932	0.5
169.01460	1.0
196.03798	8.2
214.04926	1.4
255.23309	100.0
256.23642	7.6
414.74985	0.5
452.27847	19.8
453.27936	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	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60385	0.4
68.17403	0.4
69.70143	2.2
78.95911	20.2
100.41043	0.4
114.86552	0.4
122.00108	1.3
124.54500	0.4
134.98589	0.4
140.01192	5.8
152.99577	1.8
166.40057	0.4
171.01088	0.4
196.03819	10.3
214.04869	2.1
221.11002	0.4
255.23312	100.0
256.23651	8.0
325.55029	0.5
452.27850	21.3
453.28323	3.0
462.03683	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	453.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54344	0.7
57.96104	0.6
59.01402	1.2
71.01392	2.8
71.26164	0.8
71.26561	1.0
72.99310	0.8
79.95752	1.7
83.89918	0.7
85.02976	2.8
86.03274	0.7
95.01415	1.4
96.96018	55.8
99.00848	0.8
104.45271	0.6
107.01434	2.2
117.03492	2.1
118.96672	2.8
119.05046	8.8
121.02966	2.0
123.00925	1.8
125.02458	6.4
129.03496	1.3
131.05057	1.2
133.02997	2.3
135.04518	1.2
137.02440	1.1
145.02974	6.7
147.04512	4.9
149.02463	1.3
159.04532	1.9
160.97656	1.1
161.02455	4.0
163.00415	0.9
163.04015	4.9
165.01941	0.8
169.01459	9.0
170.01848	0.7
173.02428	5.7
174.03087	1.6
175.04016	3.3
177.01979	3.2
182.99788	2.0
187.03954	1.0
189.01906	5.3
190.02696	5.2
190.99944	0.7
191.01955	1.7
191.03511	21.0
191.05128	1.5
192.03870	0.9
193.01646	2.3
201.01981	4.3
203.03410	4.4
205.01498	5.7
209.01056	1.4
209.02817	3.4
215.03323	0.7
215.94844	0.7
217.01505	14.3
218.02209	3.7
218.99675	2.0
219.03014	14.4
220.03285	1.4
221.01060	2.2
221.04568	1.5
222.01778	1.3
228.13838	0.7
229.01445	8.6
231.03024	1.4
233.04408	1.0
235.02510	2.9
243.03227	1.1
245.00949	16.8
246.01611	5.1
247.02484	100.0
248.02826	5.3
249.03911	1.0
259.02634	1.4
261.00781	4.9
261.03726	1.2
273.00427	30.7
274.00803	2.3
274.99173	1.0
275.01999	1.4
287.02344	2.2
288.98657	3.9
289.03659	0.9
290.00357	0.7
290.98251	0.9
291.01498	17.0
292.01794	1.6
300.99911	5.8
305.03018	3.7
306.99866	0.8
325.72058	1.0
333.02530	8.4
335.04297	1.4
337.05533	0.9
355.06531	0.9
363.03622	5.0
365.05063	1.0
393.04840	20.7
394.04965	3.1
397.07471	1.3
409.07608	1.7
425.07172	1.6
453.06647	29.2
454.07001	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	453.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
61.63211	0.5
67.50987	0.6
68.96996	0.5
69.39806	3.4
71.09248	0.5
80.53202	0.6
96.96053	1.4
97.87640	0.5
106.04232	0.8
107.01376	1.5
109.02962	0.9
111.00893	0.7
115.92102	1.6
119.05065	1.7
121.02964	0.6
122.94296	0.5
123.00931	1.6
124.01644	0.5
125.02454	5.5
127.63792	0.6
131.05038	0.6
133.02977	1.1
135.04553	0.7
137.02419	1.5
145.02950	2.4
146.03654	0.6
147.04558	3.1
149.02505	1.1
151.00360	0.7
152.42366	0.6
158.03769	0.6
159.04559	0.8
161.02446	1.5
163.04080	3.1
165.01981	1.0
169.01443	6.2
173.02477	3.5
174.03256	0.8
175.04036	4.6
176.01106	0.7
177.01996	1.3
181.01566	0.6
184.85123	0.6
185.02505	0.5
189.01901	3.7
189.03369	0.5
190.02737	12.7
191.03502	12.8
192.00630	0.7
193.01338	0.9
201.01927	1.6
203.03558	4.2
205.01370	1.0
209.00963	1.1
217.01436	15.3
218.02168	11.6
219.03003	8.8
220.03351	0.6
221.00932	0.9
221.04541	1.3
229.01485	4.1
235.02463	0.9
245.00914	6.5
246.01706	38.5
247.02478	100.0
248.02817	6.1
249.38805	0.5
249.52885	0.5
259.02359	0.7
273.00418	11.3
274.00745	1.7
275.02133	1.1
291.01489	5.7
300.99936	2.8
333.02481	3.6
363.03549	1.3
393.04672	13.9
394.04935	1.5
409.07779	42.2
410.08008	3.5
435.05496	0.6
453.06708	38.0
454.06995	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	453.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68013	0.5
59.01394	0.6
63.88600	0.5
65.00309	0.7
69.40108	2.9
71.01403	0.5
83.01424	0.5
95.01405	0.9
96.96021	0.5
97.02982	0.5
98.22504	0.7
106.04253	0.8
107.01422	1.6
111.00895	0.6
119.05047	1.7
121.02988	0.6
123.00919	2.1
124.01687	0.7
125.02460	6.4
133.02966	1.3
135.04533	1.4
137.02460	1.8
139.90312	0.5
145.02928	2.9
146.03720	0.5
147.00812	0.5
147.04565	2.9
149.02466	0.9
159.04529	0.7
159.43703	0.5
161.02393	2.6
162.03246	0.5
163.00380	0.7
163.04033	2.9
164.01204	0.5
164.04340	0.5
165.01997	1.3
169.01451	8.0
169.90652	0.6
173.02408	2.7
175.04005	3.8
176.01192	0.5
177.01981	2.4
178.99739	0.7
185.02469	0.6
186.02853	0.5
189.01932	4.3
190.02722	11.6
191.03526	13.7
192.00697	0.6
192.03723	0.7
193.01631	0.8
201.01933	2.3
202.99760	0.5
203.03519	3.6
205.01407	1.4
209.00945	0.9
217.01443	14.7
218.02211	9.2
219.02983	9.8
221.00871	1.0
221.04605	1.5
222.90063	0.5
229.01434	4.4
235.02502	0.8
245.00934	8.2
246.01694	32.8
247.02481	100.0
248.02805	5.3
263.01990	1.6
273.00443	16.5
274.00882	0.9
275.02005	1.1
277.03598	1.0
289.03647	0.6
291.01489	5.9
292.01691	0.8
300.99979	3.7
305.03030	2.2
313.05658	1.1
333.02466	5.0
363.03564	1.7
377.03128	0.7
393.04669	14.9
394.04874	0.9
409.07761	35.1
410.08011	3.1
425.07214	1.0
453.06677	37.3
454.06967	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	453.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08029	0.5
55.01887	0.8
59.01368	0.7
63.41526	0.5
67.01875	1.3
67.55540	0.5
69.03447	1.1
69.11369	5.0
71.01394	3.2
72.74962	0.5
73.02932	0.7
79.01896	0.9
83.01405	0.9
85.02955	1.4
87.00879	0.6
95.01414	1.9
97.02943	1.1
99.00915	0.7
101.02457	1.1
105.48119	0.6
107.01404	8.5
111.00892	3.8
113.02432	0.9
123.00898	17.7
123.82556	0.5
124.01677	20.2
125.02457	41.5
126.02744	0.9
127.00395	0.7
136.98801	2.3
137.02548	0.6
138.03217	1.6
139.00392	6.0
139.04022	7.6
140.01186	5.5
141.01955	1.9
148.28535	0.5
151.00374	7.3
153.01872	0.8
167.03552	1.0
168.00638	6.9
169.01434	45.2
170.01793	1.1
183.02957	3.4
211.02521	0.8
225.03847	0.9
247.02454	0.8
285.06302	1.2
297.06299	3.3
313.05685	9.2
327.07321	1.2
453.10403	100.0
454.10638	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	453.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75510	0.6
61.45005	0.6
67.01905	1.2
69.03430	0.8
71.01381	3.4
72.99319	0.9
73.02932	1.1
79.01893	0.8
83.01385	1.3
85.02946	1.8
89.54092	0.5
95.01379	2.3
97.02967	1.1
100.61587	0.5
101.02439	1.8
107.01402	9.1
111.00878	2.7
113.02453	1.4
123.00896	20.6
124.00749	0.9
124.01676	23.3
125.02465	42.6
126.02810	1.1
127.00381	1.4
136.98802	2.5
138.03236	1.7
139.00397	5.1
139.04018	8.5
140.01178	5.0
141.01929	1.8
148.39496	0.6
151.00381	8.4
153.02000	0.8
155.90692	0.6
167.03619	0.8
168.00671	6.4
169.01451	44.5
170.01764	1.5
183.03047	4.0
211.02489	1.2
229.12984	1.0
247.02466	1.7
273.00400	0.9
285.06229	0.8
297.06262	1.9
313.05664	9.6
327.07199	2.2
413.55225	0.7
445.97858	0.6
453.10428	100.0
454.10779	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	453.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91246	0.6
59.01394	1.0
67.01904	1.6
69.02111	1.3
69.02507	5.3
69.03462	0.9
71.01385	5.2
78.95892	0.7
79.01921	0.9
82.14694	0.6
83.01382	1.7
85.02965	2.3
87.00862	1.5
88.98790	1.3
89.02410	0.7
95.01383	2.1
96.96027	0.9
97.02956	1.5
101.02454	2.3
107.01405	7.6
109.03004	0.7
110.89935	7.4
111.00886	3.8
113.02443	1.6
123.00898	17.9
124.01673	21.0
125.02461	39.7
126.02789	1.7
127.00374	1.1
134.03717	0.7
135.04485	0.8
136.98819	2.4
137.02417	1.2
137.46049	0.7
138.03247	1.3
139.00377	8.0
139.04030	7.4
140.01222	4.4
141.01950	1.3
151.00381	7.7
153.01967	1.0
165.01945	0.7
168.00655	7.4
169.01440	46.5
170.01813	1.2
170.97829	3.7
175.04042	1.3
179.03531	0.8
183.03055	3.7
191.03560	0.9
193.04974	0.7
203.03564	1.6
211.02483	1.3
217.01405	1.3
225.04103	1.0
241.03542	0.7
243.03568	1.1
246.01649	1.2
247.02539	8.3
273.00430	2.6
285.06143	0.8
291.01529	2.2
297.06198	2.4
301.05927	0.8
313.05695	19.0
314.06036	1.8
327.07339	1.1
409.07996	1.4
453.10498	100.0
454.10776	10.6
464.50681	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	453.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81486	1.7
59.01379	2.3
69.80558	8.3
72.71007	1.5
91.01888	1.8
93.03475	2.1
108.02177	3.5
109.02974	5.1
111.00883	4.5
117.03462	2.3
123.00912	1.7
123.04506	4.6
124.01659	1.6
125.02425	4.7
132.02205	2.7
133.02969	5.7
134.03757	68.5
135.04597	10.6
137.02437	6.0
143.94139	1.9
145.02943	3.9
147.04532	3.5
147.72443	1.6
149.02402	2.4
149.06100	45.7
158.03728	16.7
159.04494	5.3
160.01646	12.3
161.02472	20.6
162.03044	2.0
169.01447	4.8
171.04536	4.9
172.05334	9.9
173.02495	3.4
173.06094	35.4
174.03241	9.6
174.06755	4.1
175.04033	36.0
176.04630	2.5
177.01888	2.3
185.06122	1.9
187.04010	7.4
187.07587	2.9
189.05577	5.8
189.09132	3.4
191.07127	6.3
194.02219	2.7
199.04008	14.7
200.04839	16.0
201.05518	3.1
202.06421	2.2
213.05632	2.7
215.07152	11.1
217.05075	4.5
218.05774	2.2
225.05542	4.5
226.06335	1.9
227.07184	2.9
233.08234	13.8
259.06186	20.4
260.06430	2.0
261.95844	1.6
267.06549	1.7
281.08261	2.0
285.07703	12.3
291.15735	2.7
297.11343	9.5
329.06693	2.0
350.11719	2.8
365.13974	100.0
366.14325	12.0
367.11923	24.4
368.12122	2.1
377.07068	4.6
409.12991	31.1
410.12704	2.0
453.11932	3.4
453.21515	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	453.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94941	1.5
60.87842	1.5
69.63293	3.4
69.63695	6.7
71.01379	1.9
92.65445	1.7
108.02169	3.3
109.02979	4.2
111.00896	4.8
121.02995	2.5
123.00899	4.1
123.04527	4.0
124.01649	2.5
125.02463	5.4
132.02168	3.5
133.02963	6.7
134.03758	76.4
135.04562	8.6
137.02466	5.9
145.02916	3.4
147.04546	3.5
148.05336	3.7
149.02484	2.8
149.06105	41.3
155.05008	2.4
158.03752	16.9
159.04480	5.1
160.01665	14.4
161.02472	22.3
161.06110	2.2
163.04034	2.2
169.01459	5.3
171.04527	2.5
172.05328	8.6
173.02493	4.0
173.06107	29.8
174.03233	11.0
174.06714	4.5
175.04019	32.7
176.04665	5.4
185.06171	3.0
187.04022	8.6
187.07719	2.9
189.05595	5.6
191.07127	5.2
194.02167	2.7
199.04044	12.8
200.04814	14.5
211.04070	2.3
213.05777	2.0
215.07123	10.4
217.05070	8.2
218.05859	2.9
225.05545	6.6
226.06302	2.1
227.07156	3.5
233.08298	9.3
241.08780	1.8
259.06140	18.5
260.06207	2.2
267.78864	1.8
281.08136	3.2
285.07755	9.3
291.16202	1.8
293.08057	2.2
297.11328	11.0
308.10333	2.0
333.11304	2.1
335.09344	4.1
350.11792	4.4
365.13983	100.0
366.14325	11.4
367.11908	23.4
409.12961	21.0
410.13248	2.9
453.21765	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	453.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71017	0.3
57.73911	0.3
59.01387	1.6
61.98820	0.5
66.99509	0.3
69.03466	4.4
71.01386	0.7
71.25735	0.4
79.01900	0.7
81.03459	1.2
83.01402	1.8
85.02966	1.4
87.70720	0.3
91.97939	0.4
95.01395	1.3
96.96021	0.5
97.02962	3.0
101.02484	0.4
107.01395	3.0
108.02184	0.9
109.02963	0.9
111.00900	0.6
121.03006	0.4
123.00907	3.0
124.01712	1.9
125.02462	100.0
126.02802	3.6
133.26173	0.3
137.02457	0.5
139.00455	0.4
139.11296	0.4
140.01286	0.3
151.00494	0.4
166.99881	0.6
167.03471	0.4
169.01445	7.8
169.02837	0.6
170.01814	0.5
173.02484	0.4
175.03967	0.3
177.01875	0.4
183.10277	0.7
189.01866	0.4
191.03514	1.0
203.03526	0.4
217.01549	1.2
229.01448	0.4
244.00105	0.3
245.00920	1.2
247.02539	2.2
261.00449	0.4
269.06674	0.9
273.00467	2.0
275.01944	0.7
287.07840	0.7
291.01584	0.7
300.99863	1.8
302.00134	0.3
343.01010	0.5
347.04022	0.4
352.03253	0.7
361.03989	0.4
362.04553	0.5
428.53949	0.4
453.04938	1.3
453.17368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67492	12.3
62.17565	10.4
64.93463	11.1
70.68435	24.9
71.01396	13.5
107.01365	21.9
123.00905	21.8
125.02448	100.0
130.79382	11.9
137.02449	26.7
151.00430	15.0
169.01370	67.7
213.45750	12.6
247.02513	33.3
431.00290	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	454.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70497	1.7
59.01374	6.3
61.30453	1.7
61.98835	6.6
69.85892	1.9
71.01390	6.0
85.02958	4.0
85.06612	1.7
85.68145	1.8
95.01412	2.7
96.72694	1.7
97.02956	5.0
101.02452	5.3
105.03420	1.9
107.01395	6.0
109.02960	2.4
111.00950	1.9
119.05004	3.7
122.03754	54.2
123.00900	8.3
123.04539	1.9
124.01681	4.4
125.02465	38.5
126.02805	4.3
134.03775	3.4
135.04547	4.0
136.05307	2.7
137.02441	4.4
142.89812	1.8
145.02998	2.7
149.06097	27.3
150.06895	6.8
151.00378	3.3
151.07635	14.6
161.02403	3.9
161.04561	3.4
163.07689	2.6
163.51591	1.8
164.04852	3.2
165.01961	2.9
165.05585	6.8
169.01450	52.0
170.01802	4.7
173.02525	2.5
175.03963	2.8
189.01860	3.6
190.02647	1.8
191.03445	3.3
197.54105	2.1
201.01942	3.2
203.03592	2.5
209.80679	2.1
217.01328	2.4
228.27942	1.8
228.95485	2.0
229.01450	2.9
232.03244	2.1
232.13689	2.1
235.13445	4.8
236.14114	2.5
245.00906	4.9
247.02460	20.2
248.02818	3.6
248.14186	31.8
249.14969	100.0
250.15715	47.0
251.16530	75.1
257.00970	3.1
261.00568	2.5
273.00519	6.9
274.00632	2.4
275.02020	6.9
285.07764	2.9
291.01550	5.6
300.99979	11.5
302.00351	3.4
302.05524	2.6
303.08655	9.5
349.78830	2.2
378.05368	5.8
378.56003	2.9
395.20599	4.2
411.20056	2.2
454.05838	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	455.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09425	1.4
57.03452	17.6
69.03469	1.4
69.55118	8.2
81.03461	6.1
83.01392	6.4
93.03432	1.9
95.05048	3.5
97.02979	5.3
107.01420	4.7
109.02962	24.0
109.51067	1.6
111.00892	4.9
121.02960	6.2
122.03732	1.9
123.00917	3.9
123.04539	15.3
124.01690	31.7
125.02467	98.3
126.02789	4.4
135.04559	3.2
137.02455	45.6
139.00391	3.8
139.04033	18.2
140.01173	6.5
145.02988	23.5
146.03792	3.6
148.46565	1.5
149.01434	1.8
149.02437	9.0
150.03207	4.4
151.04071	10.3
159.04576	8.4
161.06142	8.1
163.04007	2.3
164.01201	3.9
165.01964	12.4
167.03581	2.9
168.00661	51.8
169.01387	4.8
175.04030	3.1
179.03581	7.8
183.03011	100.0
183.04413	3.7
184.03348	4.2
185.06105	5.3
187.03996	7.2
188.04776	2.5
192.00650	5.4
199.07736	1.9
201.05576	1.9
202.06322	3.0
203.03479	4.2
203.07127	14.1
204.07239	2.0
205.05098	9.1
206.02213	1.7
207.02972	4.6
209.06058	1.5
220.70193	1.6
221.08170	2.6
227.07164	6.5
229.05061	3.0
245.08228	15.0
247.06268	2.1
253.05084	11.6
271.06186	33.5
289.07230	93.6
290.04578	2.3
290.07578	6.7
305.06778	17.7
306.07065	2.8
309.01129	1.9
317.06738	3.6
411.10931	2.2
455.09955	12.2
456.10559	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	455.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02678	0.7
56.37019	0.6
59.01364	1.1
67.01905	0.6
69.59428	0.6
78.19981	0.5
83.01398	1.0
93.03474	1.2
95.01395	0.9
107.01385	1.7
108.02190	0.8
109.02990	1.3
111.00893	0.9
117.03509	0.7
120.02180	3.9
121.02961	0.8
121.59756	0.7
123.00906	2.0
123.04546	1.7
124.01700	1.0
125.02457	11.7
127.15742	0.6
133.02969	1.5
134.03786	0.9
135.04514	1.3
136.01695	0.8
137.02463	7.0
139.00407	1.0
140.01187	1.2
149.02472	1.9
151.00352	1.3
156.05800	0.6
157.06615	0.7
163.00369	2.2
164.01175	100.0
165.01936	9.7
166.99911	1.0
167.03503	2.3
167.04839	0.6
168.00655	0.9
169.01450	14.8
169.06631	0.7
177.01926	0.8
180.05794	0.9
181.06625	0.8
183.04616	0.6
185.06044	1.6
199.07640	0.7
203.07182	1.1
209.06125	2.3
211.04019	0.8
216.00208	0.6
225.05614	2.1
229.05171	0.9
243.06686	0.9
253.05075	14.1
254.05630	0.9
271.06143	48.5
272.06537	3.5
285.04465	0.7
285.07617	3.1
287.05621	1.6
297.04034	5.2
298.04260	1.0
303.08795	2.1
379.08279	0.6
423.07166	4.0
455.09677	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	455.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56536	0.8
51.70784	0.7
56.94843	0.7
57.03436	0.9
67.01906	0.9
69.03475	2.1
69.95650	0.8
71.01376	0.9
79.01902	0.9
79.86916	0.8
81.03475	2.5
83.01401	2.6
83.05009	1.0
95.01410	1.9
95.05052	2.8
97.02961	20.2
98.21791	1.1
107.01411	10.6
108.02214	1.8
109.02988	1.4
111.00893	2.8
121.02988	3.2
121.32275	0.8
122.03764	7.0
123.00893	6.1
123.04550	4.0
124.01712	6.9
125.02466	59.6
126.02789	2.3
135.04549	1.2
136.98842	2.0
137.02455	16.7
138.03215	2.7
139.00395	4.3
139.04018	4.5
140.01189	4.5
145.02960	3.0
146.32625	0.8
148.01660	1.5
149.02438	6.0
150.03214	2.6
151.00392	2.0
151.04008	2.8
153.01889	1.4
153.05585	1.1
154.02773	1.1
159.04529	1.7
160.05312	1.9
161.02422	1.3
162.03319	0.9
163.04065	2.3
164.01192	1.1
165.01903	5.8
165.05521	0.8
166.02766	1.1
166.99896	2.7
167.03493	0.9
168.00664	7.3
169.01443	100.0
170.01796	4.7
173.06139	1.2
175.04057	1.0
179.03548	1.9
183.03059	1.7
183.04538	1.5
184.05356	1.0
198.06718	1.1
199.07646	1.3
200.04855	1.1
201.05522	4.2
202.06345	3.8
204.04362	1.6
209.06175	1.1
215.07214	1.6
217.08719	3.9
218.09019	1.1
219.06651	4.0
220.07404	7.5
225.05653	1.8
226.06425	5.3
227.03542	2.1
235.09796	3.4
241.08701	3.1
242.05927	1.2
243.06802	1.3
244.07364	6.5
245.08080	0.8
249.14944	1.0
250.15286	1.3
255.02989	1.9
259.09772	3.2
261.07779	1.1
269.04709	1.1
270.05368	8.8
271.05942	0.9
273.07672	1.3
285.07700	38.9
286.08151	3.1
288.06366	1.1
289.07190	1.7
302.05573	1.0
302.55353	1.5
303.08765	75.2
304.09113	6.2
317.06686	4.1
378.56097	2.8
379.06342	1.7
382.76929	0.8
413.34216	0.9
454.56561	1.5
455.09955	13.2
455.15652	1.3
455.76419	1.0
456.10425	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	455.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50726	9.5
54.68782	8.5
59.01379	9.7
60.99306	13.1
67.14964	9.5
71.25268	15.6
72.26492	9.7
78.73389	10.0
85.02942	21.3
87.00885	41.4
88.98808	74.5
101.02430	12.9
111.00923	90.2
123.00928	10.8
131.33594	9.1
147.49117	9.5
169.01366	12.9
183.62935	11.1
191.01985	100.0
198.11325	9.6
245.02209	11.2
263.27402	12.7
383.07581	12.4
459.58011	10.9
461.94757	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	455.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98480	1.3
57.03448	14.5
59.01385	7.1
69.03441	2.4
81.03455	4.0
83.01398	8.3
86.53528	1.5
90.42303	1.4
95.05050	1.7
96.86333	1.3
97.02966	4.2
109.02958	20.3
111.00911	2.2
117.03446	2.6
121.02998	2.6
123.04527	13.6
124.01650	1.5
125.02456	100.0
126.02792	3.3
135.04500	4.2
137.02454	70.7
138.02766	2.9
139.04044	2.3
145.02968	24.0
146.03755	3.5
149.02475	9.3
150.03242	5.6
151.04028	13.4
159.04515	10.4
160.05315	2.7
161.02493	1.6
161.06085	8.5
163.04024	1.5
164.01112	2.0
165.01950	5.6
167.03561	1.8
169.01410	5.0
174.03206	1.7
175.03926	1.8
179.03537	5.0
183.04570	1.8
185.06117	5.9
187.04008	8.0
188.04727	3.1
201.05548	2.8
203.07111	12.4
205.05106	6.4
209.05956	2.0
227.07103	5.3
229.05096	2.1
229.21385	1.8
230.02219	2.4
245.08241	13.3
253.05130	9.9
271.06119	33.1
272.06482	2.8
289.07196	85.3
290.07498	6.4
305.13904	4.3
373.76276	1.6
411.17996	4.7
455.16635	2.7
455.22836	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	455.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16683	1.3
57.03450	13.4
59.01389	9.1
69.03429	2.0
69.56239	6.9
69.56644	3.2
71.01374	5.7
71.05016	1.8
74.02480	1.7
78.91883	7.0
81.03455	5.8
83.01392	10.6
89.02483	1.7
90.59392	1.4
93.03474	2.7
93.44630	1.3
97.02955	3.7
99.72859	1.4
101.07175	2.5
109.02976	19.2
109.04098	6.2
111.00889	1.6
117.03441	2.0
118.68160	1.4
121.02991	2.7
123.00919	2.2
123.04555	11.1
125.02458	100.0
125.09759	2.2
126.02740	1.5
127.05157	28.8
128.03581	8.6
128.05499	2.2
135.04474	2.0
137.02457	46.6
138.02867	1.7
139.04021	2.8
145.02986	18.6
145.06215	26.2
146.03784	3.0
149.02467	9.1
150.03233	4.3
151.04012	10.8
157.06691	1.7
158.67143	1.4
159.04565	11.2
161.06078	6.7
163.07640	1.6
164.01212	2.0
165.01912	4.6
167.03531	2.4
169.01433	6.2
179.03526	5.9
183.04538	2.7
184.13377	6.9
185.06059	5.0
187.04005	8.5
188.04704	3.1
201.05597	3.9
203.03629	1.4
203.07166	14.5
205.05106	5.5
209.06114	1.6
211.04056	3.1
219.68860	1.6
221.08183	2.6
227.03569	2.0
227.07114	3.8
230.02266	1.6
245.08151	12.5
251.17670	6.6
253.05075	8.5
269.18503	1.4
271.06134	31.6
281.18710	2.1
287.39099	1.6
289.07193	71.0
290.07535	5.1
305.13934	1.8
411.18289	5.4
437.26572	5.7
455.27698	77.0
456.28448	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	455.1774
Annotation	(LRha)3
Peak:m/z	Relative Intensity
58.00581	0.9
59.01382	77.2
69.03461	1.5
70.94811	1.4
71.01385	14.3
72.99304	2.8
73.02951	18.3
75.21890	0.7
80.73819	0.6
85.02968	6.5
86.00101	1.5
87.00880	8.9
87.04513	3.6
89.02448	9.8
97.02955	1.1
101.02449	19.1
103.04025	10.8
111.04557	1.0
113.02417	1.4
115.04015	8.3
119.03503	4.6
125.02474	2.0
127.04023	0.9
129.05605	7.0
131.03528	9.8
143.03513	14.4
145.05087	3.9
146.72397	0.7
163.06143	21.7
205.05228	0.9
205.07187	18.8
205.09030	1.4
265.09332	2.4
455.17737	100.0
456.18066	9.0
458.29739	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	455.1772
Annotation	(LRha)3
Peak:m/z	Relative Intensity
52.19742	0.7
54.03073	0.7
59.01385	44.7
69.71046	4.1
69.71339	1.0
71.01384	8.4
73.02946	12.1
83.73093	0.8
85.02966	3.8
86.00069	1.2
87.00885	5.4
87.04504	1.9
89.02446	6.0
98.22470	1.5
101.02455	16.0
101.03110	1.1
103.04006	7.6
115.03275	0.8
115.04002	4.3
119.03490	3.1
125.02465	1.0
129.05559	3.9
131.03510	5.0
143.03510	7.3
145.05101	2.4
163.06139	18.0
205.07161	13.9
265.09274	2.1
277.47141	0.7
280.55630	0.8
373.37186	0.9
396.38290	0.9
455.17734	100.0
456.18021	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	455.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43861	0.8
55.01856	1.0
59.01362	2.3
67.01886	1.3
69.18550	0.7
71.01386	4.5
71.61343	0.9
72.99315	1.0
73.02950	1.3
75.00877	3.3
79.01878	1.0
83.01375	1.3
85.02942	3.7
86.67406	0.9
95.01397	2.6
95.60472	0.9
97.02915	1.3
98.22548	2.0
99.00878	0.9
101.02445	2.9
107.01395	5.3
111.00890	2.7
123.00904	15.5
125.02469	24.5
127.00337	1.1
130.37901	0.9
136.98836	1.4
139.00375	6.5
140.01154	3.9
141.01945	2.3
151.00362	8.3
153.01927	1.2
168.00658	4.1
169.01450	33.2
177.04102	7.4
187.73448	0.9
251.08662	0.9
302.97412	0.9
311.99057	1.8
329.04968	2.4
418.96350	1.7
439.85776	1.4
455.19269	100.0
456.19650	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	455.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66333	0.5
55.01868	1.9
57.03445	2.3
58.00592	1.1
59.01387	52.4
68.99833	1.1
69.03444	1.2
71.01390	22.6
71.05782	1.3
72.99308	1.2
73.02958	8.0
73.79268	0.5
79.30720	0.7
81.03449	0.8
81.39640	0.7
83.01390	4.1
85.02964	10.1
86.00109	2.2
87.00885	5.7
87.04520	9.8
89.02457	10.3
95.01398	2.5
97.02962	2.3
99.00893	1.9
101.02460	16.5
101.06091	2.5
107.12177	0.5
111.00888	1.4
112.01664	0.7
113.02464	9.0
119.03500	3.0
124.01679	1.3
125.02457	5.4
133.06613	0.8
135.08180	14.4
136.08536	0.7
141.01897	0.6
143.03522	6.1
147.08151	2.8
159.02892	0.7
163.11287	6.8
175.11264	1.8
185.58484	0.6
191.10782	6.0
205.12363	3.2
217.16008	1.5
233.15465	11.2
235.13390	9.7
249.15016	3.8
251.16537	100.0
252.16833	7.7
275.16656	1.7
293.17566	1.2
321.17084	9.8
322.17523	0.9
377.19809	2.1
395.20752	68.2
396.21097	6.7
413.21835	76.2
414.22156	9.1
455.22913	21.8
456.23587	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	455.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46234	2.0
75.00888	1.1
78.95915	0.9
94.02943	0.6
98.27328	0.8
106.14027	0.6
117.03436	1.0
133.02974	20.4
134.03748	1.8
135.04536	21.3
137.02528	0.7
148.05293	1.2
161.02457	100.0
162.02794	3.9
177.04080	0.9
179.03503	7.5
214.29663	0.6
214.44899	0.6
256.23605	2.2
257.24078	0.8
258.24182	1.8
263.20270	1.1
275.20093	1.9
277.21457	0.7
293.21298	3.0
295.93359	0.6
400.34106	0.7
437.23483	0.8
455.17920	1.5
455.24316	20.6
455.30304	1.1
456.24771	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2655
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01866	0.8
57.03442	1.2
58.00591	1.9
59.01385	37.2
60.01706	0.5
64.86049	0.4
70.00900	1.4
71.01389	22.0
72.99324	2.1
73.02948	1.1
83.01386	2.2
85.02961	6.4
87.00880	0.9
89.02457	18.0
95.01389	2.1
99.00883	0.9
101.02454	12.0
111.08143	0.4
113.01730	0.6
113.02463	8.7
113.09750	0.4
119.03514	6.8
129.01944	0.5
143.03470	0.6
179.14473	0.6
195.13962	0.9
195.15536	0.4
205.15999	0.6
214.81801	0.4
223.13379	1.5
231.21281	0.4
238.06427	0.4
275.20230	5.4
277.21774	1.2
293.21262	25.8
294.21552	1.9
437.25677	0.9
455.26538	100.0
456.26849	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	455.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63425	2.2
52.72752	1.9
63.96232	7.5
65.03944	2.4
68.99813	4.4
79.67463	2.4
81.03474	9.6
82.12840	2.2
83.83435	2.1
91.05557	4.8
93.03471	5.0
95.01404	13.5
95.05032	10.1
107.05045	15.7
109.02940	5.9
118.24151	2.6
119.05041	16.9
121.02957	7.2
121.06602	10.4
122.03780	7.3
123.04486	4.0
133.06670	8.6
135.04546	100.0
136.04883	3.9
137.06096	31.0
147.04579	16.0
150.03168	2.7
150.06876	4.4
163.03920	5.4
164.02974	2.7
179.01727	7.2
180.02538	5.7
181.03276	3.0
182.05815	5.8
199.82809	2.6
212.01445	11.9
261.18750	3.6
265.16376	2.3
275.14764	3.2
287.14081	2.8
293.15900	6.6
294.16528	23.2
326.15601	66.1
327.16022	3.4
421.26941	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	455.3535
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
50.74163	1.7
60.84327	1.9
70.77927	1.5
71.26479	3.3
76.13142	1.7
81.88490	1.8
93.94753	1.6
124.41846	1.5
155.04692	1.5
194.97729	1.4
196.04845	1.6
260.17035	1.6
319.16974	1.6
455.35345	100.0
456.35562	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	457.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
61.98818	2.5
65.55795	1.6
73.81036	1.6
85.02969	2.9
91.05525	2.2
95.01392	2.2
98.21807	5.7
107.01382	2.1
107.05009	2.4
109.02953	2.5
112.78503	1.5
117.03462	3.7
119.05025	5.3
121.02915	2.6
122.03730	2.4
123.00903	5.4
125.02437	6.2
127.41820	1.4
133.02962	2.3
135.04526	26.9
137.02434	2.6
141.51326	1.9
145.02951	12.7
147.00899	3.3
150.03235	8.2
151.00470	1.9
151.04022	4.4
153.01909	2.0
161.02405	3.7
162.03235	63.6
163.04027	72.4
164.01239	1.4
164.04393	4.5
166.99849	2.7
169.01390	8.2
177.01871	1.9
179.03510	40.5
189.02013	3.5
191.03575	2.1
193.98596	2.3
194.99384	5.0
205.01450	12.6
205.05038	3.0
206.02219	100.0
207.02985	60.4
208.03333	3.5
228.70874	1.9
229.01401	2.4
231.68553	1.5
232.00087	3.2
233.00911	1.7
249.04118	2.3
251.02063	9.3
291.62140	1.8
300.99939	5.9
303.05038	2.1
341.08740	12.7
357.04730	4.8
369.08282	52.6
370.08585	6.0
413.07153	18.7
450.41501	1.7
457.06259	95.3
458.06570	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	457.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39389	0.9
57.03450	3.6
59.18734	1.1
65.00333	3.6
67.01878	2.0
68.99821	1.9
74.68442	0.9
79.01908	1.0
81.03452	2.1
83.01395	9.2
85.02948	1.2
87.91199	1.1
93.03493	2.0
93.59648	0.9
95.01405	1.8
95.05046	1.4
98.22644	1.9
101.12804	0.9
105.03493	1.9
107.01420	4.2
108.51762	1.1
109.02966	2.6
116.84661	0.9
117.56363	0.9
119.63228	0.9
121.03013	2.1
122.03765	1.7
123.00886	14.5
123.04538	37.7
124.01733	1.2
125.02460	49.6
126.02798	1.2
132.17911	1.0
133.02998	1.7
135.25636	1.1
137.02512	1.9
139.00409	3.9
141.01962	1.8
149.02473	5.1
150.03238	7.3
151.00391	24.1
151.04019	100.0
152.04359	3.8
153.01949	84.5
154.02312	3.7
161.02431	5.7
164.01172	1.4
165.01984	1.2
166.64287	1.1
166.99881	1.6
169.01437	25.4
177.01854	1.2
183.03020	2.3
257.04520	2.8
259.06219	1.5
275.05661	1.9
287.05701	6.5
303.05115	85.6
304.05463	7.2
305.06766	4.5
331.04767	1.7
457.07562	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	457.0779
Annotation	Gallocatechin 3'-O-gallate
Peak:m/z	Relative Intensity
51.78392	0.8
57.03445	4.6
59.76206	0.7
61.60679	0.7
65.00327	2.8
67.01891	2.2
68.99829	2.3
79.01904	1.2
81.03453	1.6
82.26640	0.8
83.01390	7.5
85.02959	1.3
89.35421	0.8
91.57381	1.0
95.01418	1.3
95.05014	1.3
97.02922	0.9
105.03471	2.3
107.01403	4.5
108.02217	1.6
109.02946	4.8
121.02981	2.3
122.03770	2.8
123.00894	15.0
123.04535	42.6
124.04839	1.6
125.02460	51.3
126.02779	1.3
133.02988	1.4
137.02461	2.2
139.00360	3.1
141.02007	2.1
149.02454	3.8
150.03239	9.1
151.00386	25.7
151.04019	91.6
152.04364	3.1
153.01947	88.6
154.02284	3.9
161.02460	4.5
164.01114	0.9
165.02054	1.9
168.00702	1.0
168.15862	0.9
169.01436	21.4
169.02832	1.5
177.02010	2.3
183.02968	2.0
201.05107	0.8
257.04608	3.2
262.16299	0.9
269.04459	1.2
275.05612	1.6
287.05600	6.9
303.05124	100.0
304.05457	7.0
305.06671	3.1
305.30792	0.9
322.20694	0.9
331.04761	1.3
457.07843	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	457.0779
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
51.18390	0.4
51.78924	0.4
57.03448	2.3
69.03459	1.8
79.01921	0.5
81.03452	2.1
83.01385	0.7
95.01425	0.6
95.05034	0.7
95.80603	0.4
97.02959	1.6
103.32769	0.5
105.03526	0.6
107.01406	1.1
109.02982	1.0
109.16423	0.5
114.03328	0.4
118.46233	0.4
121.02925	0.4
123.00909	1.0
124.01683	1.2
125.02458	71.7
126.02807	1.6
137.02464	1.9
139.04027	1.3
161.02449	4.5
165.01956	1.1
167.03465	1.7
169.01436	100.0
170.01755	4.0
177.05533	0.6
179.03510	1.1
193.01447	3.8
195.11162	0.4
219.06497	0.6
243.06636	0.5
256.66129	0.4
269.04623	0.5
287.05630	1.0
305.06650	6.0
319.04523	0.4
331.04547	1.9
457.07645	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	457.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.7
69.03469	1.3
79.01927	0.5
81.03470	1.1
83.01405	0.9
91.67208	0.5
95.01398	0.7
97.02964	1.6
98.21653	0.3
98.22161	3.5
105.03486	0.7
107.01403	1.7
108.00067	0.4
109.02988	0.7
123.00876	1.4
123.04527	0.4
124.01629	0.9
125.02462	70.7
126.02837	1.7
135.04498	0.5
136.33572	0.4
137.02463	2.7
139.04041	1.1
139.97433	0.4
149.02486	0.5
151.00333	0.4
151.04030	1.3
153.01878	0.8
161.02464	4.3
164.01155	0.6
165.01939	1.6
166.99942	0.4
167.03494	1.4
169.01442	100.0
170.01752	2.9
176.69832	0.4
177.05632	0.5
178.46310	0.3
179.03476	0.8
193.01454	2.9
219.06618	0.9
229.68756	0.5
233.46353	0.5
269.04608	0.6
270.98276	0.4
287.05588	0.8
300.99814	0.8
303.05032	0.7
305.06741	5.9
305.10132	0.6
331.04568	1.8
457.08142	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	457.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66589	0.9
56.49152	0.8
57.03455	7.7
59.01394	1.8
61.98828	4.2
63.13041	0.8
68.96066	9.0
71.01373	1.1
79.01881	3.2
93.03478	12.7
95.01401	1.1
97.02934	1.1
99.04533	4.9
101.02452	1.8
107.01363	0.9
108.02186	1.4
109.02963	2.3
119.01380	1.0
119.05024	1.3
121.02957	5.3
123.04537	2.2
124.01662	2.0
125.02477	11.1
126.02721	0.8
136.01665	2.5
137.02467	3.8
139.04030	1.2
143.05049	21.2
144.05394	1.1
145.02943	2.3
147.04507	1.2
149.02460	2.6
151.00449	1.3
151.04018	22.6
152.01143	1.2
152.04443	1.3
161.02411	2.0
163.00407	1.3
163.04028	4.4
165.01968	8.4
167.03508	1.6
168.00682	1.6
169.01425	4.8
175.03931	1.2
183.03004	4.2
184.03334	2.3
185.03563	2.0
185.06116	1.3
187.04045	1.7
203.03543	3.1
207.08023	0.9
215.03566	6.2
221.06128	1.2
237.09091	1.2
241.08749	1.9
250.06442	1.1
263.07184	1.0
265.08765	2.5
266.05670	1.2
289.07220	1.6
290.07574	3.0
291.07776	4.5
293.04404	1.0
294.05383	1.5
295.06161	4.6
307.06253	7.4
308.06839	6.4
309.07730	33.6
310.08121	2.8
316.17838	0.9
319.06250	1.8
321.04440	1.2
321.07654	4.4
337.07199	100.0
338.07492	8.1
349.07019	8.8
367.08243	24.4
368.08743	3.2
379.08261	2.2
439.10556	2.0
457.11447	52.5
457.17136	5.1
458.11813	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	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32105	0.3
57.03452	34.1
58.03787	0.4
59.01093	0.5
59.01384	6.7
61.98806	0.4
62.47901	0.3
65.00844	0.4
71.01378	1.2
73.02950	0.5
75.00886	0.7
79.01893	0.4
81.03478	0.5
83.01381	0.7
85.02914	0.5
89.02468	0.4
91.01904	7.4
93.03468	7.2
95.01403	1.6
98.22521	1.1
99.00917	0.3
99.04530	22.2
101.02460	6.6
101.79162	0.3
107.01415	1.1
107.05043	1.5
108.02199	0.4
113.02444	1.0
117.03452	0.5
119.01408	3.4
121.02969	8.0
123.00899	2.9
123.04538	0.6
125.01528	0.8
125.02456	15.2
126.02803	0.9
133.02982	0.5
136.01686	0.8
137.02467	5.3
140.01115	0.4
143.03470	0.9
145.02971	1.0
147.92661	0.3
149.02472	0.9
151.04021	100.0
151.87173	0.3
152.04362	3.8
161.02466	0.9
161.04594	1.1
163.00383	0.8
166.99878	1.8
169.01457	4.2
170.01784	0.5
171.00897	0.8
173.02441	0.4
185.02420	0.4
186.52922	0.4
187.31099	0.3
190.97528	0.4
198.53397	0.4
200.01093	0.6
201.01929	1.2
217.01236	0.6
219.03003	0.4
226.99823	0.4
229.01462	1.1
230.01950	0.5
233.00900	0.4
245.00945	0.8
247.02538	0.7
270.98856	0.5
273.00586	0.5
275.02094	0.6
281.06665	2.1
298.98346	0.8
299.99139	0.8
300.99799	2.9
337.07150	0.7
363.03256	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	457.185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
70.31014	12.9
70.31360	35.5
71.01388	32.0
85.02985	11.6
97.00079	9.6
98.22588	11.2
101.02492	22.3
116.39627	9.4
117.66647	9.4
117.70764	9.3
125.02467	11.8
140.50024	10.2
143.22688	9.5
161.04527	12.3
169.01477	19.1
421.20947	30.0
457.18417	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29489	0.4
67.90218	0.4
68.81165	0.4
69.70592	2.1
74.07778	0.4
79.61314	0.4
86.00988	0.4
95.88021	0.4
98.21814	0.5
99.92610	3.6
100.93378	0.9
115.92091	100.0
116.92096	4.5
116.92880	5.4
120.12903	0.4
132.92372	1.3
172.95496	4.8
192.54984	0.5
246.78911	0.4
321.30441	0.4
327.27405	0.4
383.18939	0.6
409.20758	0.8
457.22522	2.9
458.22928	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	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60834	2.6
59.01089	5.6
59.01389	100.0
70.44158	5.8
70.44509	3.4
71.01395	25.0
73.02939	7.9
83.01385	3.6
85.02962	6.8
89.02450	11.3
101.02460	18.8
113.02459	13.7
119.03500	3.6
125.02514	3.3
153.45082	2.9
161.04576	12.4
169.01497	4.7
175.32307	3.5
262.29367	4.0
283.63419	2.9
319.86133	3.1
354.10788	3.0
366.90448	3.2
397.22375	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	458.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.6
61.98835	100.0
69.19749	7.9
69.20155	2.3
71.01380	2.0
85.02983	1.2
89.02456	1.4
96.04203	1.3
98.22296	4.8
101.02454	1.3
110.43713	1.1
139.57314	1.3
161.04512	2.8
294.12256	1.2
314.95706	1.3
354.96124	1.2
399.24081	2.7
443.08475	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	458.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09978	11.1
57.33070	9.7
59.01394	53.0
59.01650	9.7
70.91941	22.1
71.01386	21.3
80.79334	10.7
83.19980	12.5
89.02441	12.6
123.00917	13.2
125.02485	23.5
151.00316	17.4
169.01477	26.3
216.08339	11.4
227.03551	57.2
255.03015	100.0
284.03247	59.5
400.30753	12.7
458.17560	40.8
459.09357	75.1
459.18716	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	458.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.0
60.96759	4.6
63.88380	5.0
69.03462	7.7
69.18833	46.2
71.01389	12.6
74.67031	5.1
83.01418	6.6
89.02447	9.3
91.40447	5.6
93.03467	10.9
95.01413	5.7
98.21756	7.0
107.01402	9.5
113.02493	6.8
123.00922	10.9
123.04594	9.8
125.02458	34.9
126.02753	5.2
137.02467	7.0
143.05072	10.0
151.00410	8.4
151.04121	5.6
159.04446	7.0
161.02481	6.3
167.03441	7.7
168.03816	10.0
169.01416	42.6
195.68861	6.2
209.00850	8.5
211.13441	11.4
295.06104	44.5
296.06497	100.0
297.06906	8.1
350.11053	6.4
459.19339	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	459.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82868	6.9
69.68877	41.7
71.01389	18.4
94.44180	7.1
98.22315	12.4
115.00375	43.8
123.00902	13.3
123.04563	19.7
125.02470	34.5
126.68321	8.1
126.81982	7.0
133.01425	100.0
151.03989	31.6
152.04352	15.8
153.01976	20.8
154.02264	8.6
163.00363	7.8
169.01436	45.4
279.01547	15.7
301.00317	9.1
304.05365	9.9
305.05646	28.9
325.05911	14.9
380.16284	7.6
380.21713	8.4
423.08875	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	459.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23100	0.4
53.71656	0.4
59.01387	2.4
60.79003	0.4
62.02221	0.4
63.02401	0.9
65.00342	0.4
69.74831	0.3
70.19697	0.5
70.20054	1.4
83.01405	0.6
89.02357	0.4
93.03468	1.4
107.01400	1.7
113.02536	0.4
125.02467	0.7
132.02235	0.9
135.00879	1.3
143.05023	0.7
151.00403	2.2
156.48174	0.4
157.06628	0.7
159.04532	1.2
163.00447	2.1
167.04953	0.5
169.06633	0.6
171.04498	0.9
173.02347	0.5
178.99944	1.9
183.04489	2.4
184.54901	0.4
185.02338	0.7
185.06181	1.8
187.04022	2.5
189.05588	0.9
195.04530	0.9
196.05301	0.4
197.06151	1.1
198.03223	0.4
199.04041	1.3
200.04700	0.4
201.05646	0.7
210.03255	0.4
211.04024	3.5
212.04762	0.4
213.05598	1.3
215.03595	0.4
227.03520	78.5
228.03876	5.9
229.05067	8.3
230.05397	0.6
239.03476	1.6
240.04335	0.5
241.05040	0.8
255.03004	100.0
256.03574	13.1
257.04504	4.3
267.03043	0.8
269.04581	0.6
284.03287	72.2
285.04050	99.8
286.04379	6.7
459.09348	71.8
460.09708	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	459.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.6
63.02381	0.7
65.00343	0.8
69.89995	0.6
77.28326	0.7
85.02925	0.6
93.03404	0.7
97.47549	0.6
97.93085	0.8
107.01398	1.2
125.02461	1.8
131.89105	0.7
135.00870	1.1
151.00404	1.7
161.04631	0.9
183.04512	2.1
185.02551	1.0
199.03920	0.7
211.04048	2.7
227.03528	72.2
228.03857	5.5
229.05035	1.5
239.03566	0.9
255.03017	100.0
256.03558	11.4
257.04410	1.2
283.02383	1.0
284.03287	99.7
285.03946	25.1
286.04529	1.2
399.23880	1.2
459.09366	66.5
460.09848	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	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75788	0.6
59.01377	1.0
65.00341	0.6
71.27492	0.6
71.27908	0.8
83.01386	0.7
107.01395	1.6
107.64630	0.5
123.00925	0.9
125.02460	2.4
151.00378	1.9
159.04533	0.7
169.01483	2.8
170.06161	1.1
177.01965	0.8
183.04588	1.4
187.03885	0.8
191.03513	2.3
198.05699	0.6
199.03992	2.1
211.03993	4.8
213.01952	0.7
226.02765	1.2
227.03528	10.6
235.06311	0.6
247.02536	1.0
253.03798	1.8
254.04636	2.7
255.03001	100.0
256.03366	6.6
283.02502	43.9
284.03189	10.4
285.04083	5.2
298.03540	3.9
299.01926	0.8
312.02780	43.1
313.03442	14.4
456.93161	0.6
459.09344	74.9
460.09534	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	459.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57095	0.4
57.03448	1.0
59.01366	1.6
70.05772	1.6
71.01358	1.5
71.59948	0.5
77.03989	0.8
79.01899	1.6
81.03447	1.6
83.01382	1.5
86.25001	0.5
89.02440	0.6
93.03452	1.3
95.01350	0.5
95.05031	0.7
97.02959	0.7
104.02784	0.5
105.03477	0.6
107.01382	1.8
109.02911	0.8
111.00889	0.6
119.05024	1.9
121.02972	1.8
123.00938	2.9
123.04577	0.7
125.02459	7.8
128.00859	0.7
133.02977	1.1
133.06601	1.1
135.04549	7.3
137.02409	1.7
137.06076	0.8
139.00412	1.3
140.01129	0.8
145.02901	0.7
146.03743	1.0
147.04533	1.0
149.02496	2.7
151.00357	1.7
151.03976	0.9
156.73880	0.5
159.04489	0.8
161.02435	5.8
161.06108	4.6
161.81827	0.5
162.03232	2.9
163.00406	0.9
163.04022	5.7
165.01933	1.6
165.05498	0.9
168.00674	1.0
169.01457	6.8
170.01625	0.5
175.04048	0.6
176.67488	0.5
177.05565	2.3
179.03505	1.4
189.05614	1.2
190.02750	1.7
191.03450	3.6
192.06711	0.5
203.03522	2.8
204.04312	4.5
205.05070	79.3
206.05455	4.4
215.03577	2.7
217.05023	0.9
231.02959	1.2
233.04565	100.0
234.04900	5.1
236.03284	0.6
245.04509	3.6
263.05563	2.4
271.06323	0.8
281.06644	0.8
289.07040	0.5
298.10776	2.5
301.00055	1.1
323.07947	0.8
339.08749	53.8
340.09052	5.7
353.08887	1.8
369.09958	1.9
418.14767	0.6
459.13028	52.6
459.18817	12.3
460.13284	6.1
460.18973	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	459.1513
Annotation	Paeonolide
Peak:m/z	Relative Intensity
54.59962	0.6
55.01880	0.7
56.14846	0.6
56.85739	0.7
58.00590	1.1
59.01101	1.0
59.01388	18.5
67.75897	0.6
70.50340	0.9
70.50675	1.4
71.01391	13.5
72.08458	0.6
72.99312	1.5
73.03269	0.7
79.01913	1.0
83.01393	1.2
85.02972	2.8
87.00891	1.0
89.02460	12.2
95.01396	2.6
97.02959	1.2
99.08170	1.9
101.02452	8.6
107.01388	4.2
111.00898	1.7
113.02479	4.7
114.91614	0.9
119.03517	4.5
123.00896	15.7
125.02459	15.3
126.02780	1.1
127.07671	5.0
132.78152	0.8
136.98778	1.0
139.00397	6.0
140.01228	1.8
141.01923	2.4
145.08716	7.3
151.00378	9.7
151.03966	1.5
153.01979	1.3
168.00652	2.4
169.01448	16.9
170.01735	1.3
177.02026	0.7
194.38058	0.8
211.02579	0.7
271.04633	1.1
300.03461	0.7
301.00317	0.9
305.05460	1.3
307.14047	33.3
308.14352	2.3
382.90652	0.7
435.57391	0.9
441.14111	5.6
459.15106	100.0
460.15500	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	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
59.01381	3.3
59.75613	0.4
61.64537	0.3
67.01886	1.2
68.99828	0.4
69.03461	0.8
70.43211	0.3
71.01390	3.5
71.27676	0.5
72.83342	0.4
72.99303	0.8
73.02948	0.8
76.87218	0.3
79.01891	1.4
81.42691	0.4
83.01385	1.4
85.02955	1.9
86.88250	0.4
87.00890	0.7
89.02453	0.7
90.60326	0.3
93.47461	0.4
95.01394	1.8
97.02942	0.8
99.00897	0.4
101.02453	2.9
107.01390	4.3
107.19731	0.3
111.00890	3.8
113.02455	1.3
123.00890	17.7
124.01648	1.1
125.02458	17.2
125.03168	0.2
126.02814	0.6
127.00365	1.1
136.98822	1.7
137.02464	0.5
139.00391	7.0
140.01201	4.0
141.01973	2.8
151.00385	12.1
153.01941	0.7
154.99857	0.3
163.03937	0.4
165.54858	0.3
168.00652	4.0
169.01437	23.1
170.01813	0.9
179.03418	0.4
211.02443	0.6
223.16583	0.3
271.04535	0.5
313.05652	1.3
459.18744	100.0
460.19116	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67565	0.5
55.01869	0.4
55.36963	0.4
57.03427	0.6
59.01391	7.3
65.00309	0.7
67.01881	1.4
69.03455	0.7
69.28050	3.8
71.01395	4.9
72.99290	1.3
73.02941	1.7
79.01894	1.6
83.01405	1.0
85.02970	2.2
87.00871	0.9
87.38255	0.4
89.02441	2.0
91.63504	0.5
95.01392	2.9
97.02956	1.5
99.00883	0.5
101.02444	4.2
107.01391	4.6
109.26118	0.6
110.00082	0.5
111.00888	2.7
112.31068	0.5
113.02443	2.7
115.28371	0.5
119.03481	0.6
120.10040	0.4
123.00903	18.4
124.01664	0.7
125.02464	22.3
126.02805	0.8
127.00341	1.2
133.19125	0.5
136.98784	2.3
139.00397	7.2
140.01207	4.4
141.01942	2.5
151.00385	12.5
153.01994	0.6
154.99876	0.6
161.04582	1.0
168.00681	4.3
169.01448	24.8
170.01692	0.9
175.37215	0.5
197.90131	0.5
211.02449	1.2
234.33681	0.5
313.05688	1.7
399.00510	1.6
417.25006	1.8
423.22672	0.9
426.38608	0.6
459.18750	100.0
460.19141	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33821	2.7
59.01385	100.0
61.98827	6.1
68.36990	2.9
71.01389	13.7
71.26926	3.3
73.02947	4.1
89.02483	8.8
91.32931	3.3
101.02467	8.2
115.94587	3.5
121.02951	8.6
123.11234	3.5
161.04590	8.7
399.23984	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	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
59.01385	100.0
61.98838	2.2
69.03478	0.9
69.17249	3.7
69.17664	1.9
71.01386	19.5
72.99334	1.3
73.02947	6.0
73.83404	0.7
83.01421	2.9
85.02959	4.5
87.00905	1.2
87.04537	1.0
89.02460	15.2
95.01423	2.1
98.22655	0.8
99.00925	2.5
101.02451	11.9
101.06091	1.6
111.00899	0.8
113.02451	7.0
119.03447	3.7
121.02946	1.3
123.00953	1.0
125.02494	2.5
125.98313	0.8
143.03647	1.1
149.04523	3.6
161.04572	4.5
169.01501	1.8
179.05701	0.7
183.78357	0.7
191.05595	1.0
193.01463	0.8
227.03560	4.5
255.03040	4.6
255.19502	1.0
256.03397	0.7
284.03323	3.7
285.04056	3.9
288.39984	0.7
291.19839	0.9
300.99902	1.1
381.22766	1.0
399.24011	5.7
413.15775	0.7
417.24796	4.7
418.25891	0.9
459.09088	4.1
459.26865	6.4
460.17889	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	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56594	0.6
57.93882	0.5
58.00603	0.6
59.01382	100.0
61.64794	0.7
61.98830	4.3
69.22564	5.3
70.35295	0.6
71.01384	8.9
72.99290	0.6
73.02955	3.3
83.01405	1.9
85.02947	3.2
89.02455	8.6
95.01443	0.6
98.21833	1.3
99.00909	2.6
101.02443	7.2
113.02467	3.6
117.00118	0.6
119.03545	2.4
123.04515	0.6
125.02460	5.3
127.05149	0.6
131.03520	1.4
137.02458	3.0
143.03496	1.1
145.03011	0.9
149.04649	1.5
151.00412	0.9
161.04556	5.0
169.01436	2.0
179.05727	0.9
187.09761	1.0
211.04044	1.0
222.97365	0.6
225.24141	0.6
227.03496	14.3
227.07086	0.6
227.92331	0.6
228.03941	1.6
254.02144	0.8
255.02995	24.4
256.03638	2.4
259.76563	0.6
268.14981	0.6
269.04578	0.9
271.06384	0.9
283.02628	1.3
284.03287	16.0
284.06363	0.9
285.04001	10.2
289.07401	1.3
293.08917	0.9
297.04279	1.5
326.04459	2.0
327.05179	0.8
375.20496	1.2
399.00671	1.4
399.23926	3.7
417.25082	3.0
459.09384	18.9
459.19534	1.0
459.30728	1.5
460.09970	2.6
460.18472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01384	100.0
60.01725	0.9
61.98832	1.5
65.68324	0.4
69.13161	2.3
69.13595	2.3
71.01389	13.3
73.02954	4.3
74.60528	0.5
83.01402	1.7
85.02953	5.3
87.00895	0.6
87.04573	0.5
89.02453	3.8
93.03426	0.6
95.01407	1.1
97.02992	0.7
98.21808	1.1
99.00899	1.3
101.02454	9.0
103.25953	0.5
107.01411	0.7
111.00916	1.3
113.02462	5.7
116.70560	0.5
119.03504	1.6
122.03774	0.9
123.00918	1.0
123.37182	0.5
125.02498	4.2
140.59627	0.4
143.03540	1.3
149.30624	0.5
151.00377	1.5
157.96207	0.5
159.03059	1.1
161.04594	5.1
169.01459	2.6
169.12415	0.5
179.05739	0.6
181.12349	0.7
183.04504	0.8
211.03929	0.8
225.11269	1.0
227.03510	18.5
228.03931	1.4
234.29971	0.6
239.16762	0.6
255.03003	29.3
255.19624	1.2
256.03494	3.0
276.10318	0.5
284.03281	29.8
285.03943	7.7
329.19681	1.0
399.23969	9.3
400.24249	0.7
417.25031	8.8
418.25330	1.3
452.56442	0.5
459.09381	19.0
459.18704	5.8
459.24414	0.8
459.30286	0.7
460.09854	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08899	0.5
59.01384	100.0
60.01711	1.0
61.98835	1.3
71.01387	12.7
72.99310	0.7
73.02969	2.8
73.44785	0.6
80.95052	0.6
82.88520	0.6
83.01447	0.9
85.02937	3.6
87.00893	1.2
89.02453	16.1
95.01411	1.0
99.00876	3.3
101.02446	9.1
109.03007	0.6
113.02497	3.5
119.03503	3.2
125.02509	1.6
131.03545	2.0
143.03548	0.9
149.04579	7.3
161.04559	4.1
169.01416	0.6
175.04095	0.7
179.05627	1.4
183.03264	0.6
191.05646	1.4
195.13956	1.6
205.12358	1.0
223.13405	10.0
223.15286	0.8
224.13705	0.8
227.03485	1.5
231.14594	0.7
253.09320	2.0
255.03104	2.7
255.06691	1.5
284.03345	2.6
285.04190	2.3
338.11108	0.7
368.90469	0.7
398.26688	0.6
399.23953	6.7
406.66748	0.7
459.09628	1.7
460.09384	1.4
460.17725	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	460.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80713	0.8
59.01385	5.8
63.02435	0.8
65.00343	1.2
65.78546	0.8
69.02600	8.9
69.03439	1.0
70.72969	0.7
71.01374	3.2
77.99780	0.8
80.64819	0.7
82.47532	0.7
83.01414	1.1
85.02958	2.6
89.02479	1.3
95.01398	4.0
95.14982	0.7
97.43194	0.8
101.02457	1.6
107.01368	1.7
108.63166	0.7
109.02959	1.8
113.02457	2.9
120.10972	0.8
121.02961	1.4
123.00907	2.8
124.01665	0.9
125.02490	3.8
127.97012	0.9
135.00908	1.3
137.02455	0.8
140.05113	0.8
142.06593	1.6
146.02480	2.4
148.00426	1.9
149.01207	1.8
151.00427	5.7
154.06662	4.8
156.04584	5.1
158.06140	1.1
163.00351	1.8
166.06673	5.6
168.04555	2.8
169.01437	3.0
170.01802	0.8
170.06129	24.3
171.06361	1.1
178.99883	2.9
181.05334	1.2
182.06145	10.3
183.06453	0.8
183.10284	0.8
184.04047	2.2
187.03984	1.8
196.03976	0.9
197.04802	13.9
198.05608	18.2
209.04713	1.4
210.05667	2.3
211.03993	0.9
212.03493	1.5
225.04340	10.8
225.11322	2.2
226.05081	12.7
227.03545	4.4
228.03848	2.7
229.05002	3.6
230.05385	1.4
236.03453	1.6
243.02974	3.1
253.03822	34.5
254.04597	93.2
255.02760	11.1
255.05489	4.7
256.03326	10.0
257.04507	2.4
271.02478	18.2
283.02438	2.2
284.02994	6.7
285.04022	28.2
286.04391	6.2
297.02853	2.5
298.03592	100.0
299.04111	6.2
300.02759	24.5
301.00119	1.6
301.03540	20.6
312.02887	1.9
313.03125	5.5
314.04108	2.1
416.09854	10.0
417.10312	2.2
433.07870	10.2
460.09039	50.5
460.19287	2.4
461.09033	6.1
461.19986	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	460.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
71.01352	0.5
71.25340	0.6
82.12571	0.4
85.02962	0.7
91.05508	0.7
97.02863	0.4
102.04169	0.4
107.01388	1.4
107.05021	1.5
107.81035	0.4
109.02939	0.4
117.03457	0.5
119.05036	0.5
120.38228	0.4
121.02954	0.5
123.00905	0.4
125.02470	4.1
126.02806	0.4
133.02959	0.9
134.03722	0.7
135.04536	35.3
136.04897	1.1
136.07690	3.2
137.02460	0.4
145.02930	0.8
147.04556	1.1
148.05318	5.3
149.05678	0.4
160.04004	0.6
161.02457	4.8
163.04065	0.5
164.65996	0.4
169.01428	5.4
170.01761	1.0
175.03943	0.5
178.05106	7.0
180.99757	0.6
189.01939	0.9
190.05127	1.8
191.03447	0.7
201.01877	0.5
203.03514	0.9
209.59067	0.4
211.04370	0.4
217.01462	0.6
229.01440	0.8
245.00940	1.3
247.02477	2.1
256.09854	0.8
261.00293	0.5
273.00464	1.8
274.90448	0.4
275.01984	0.7
291.01599	1.4
298.10861	100.0
299.11203	8.8
300.99860	1.5
301.87256	0.4
351.63052	0.4
391.80200	0.4
460.16049	2.1
461.03619	1.4
461.16135	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	460.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23227	0.3
58.72597	0.3
66.05441	0.3
71.01371	0.4
74.11416	0.3
89.02455	0.4
91.05530	0.7
93.03481	0.3
96.34086	0.3
98.22159	2.5
101.02480	0.3
106.04283	0.4
107.01394	0.6
107.05058	2.0
109.02955	0.5
117.03450	0.5
119.05058	0.8
123.00872	0.7
125.02451	2.3
133.02943	0.9
134.03741	0.8
134.06155	0.6
135.04539	41.4
136.04002	0.7
136.04906	1.2
136.07684	3.6
137.02422	0.4
145.02937	0.6
147.04530	1.0
147.22087	0.3
148.05307	5.3
160.04083	0.9
161.02448	4.3
161.64204	0.3
163.03973	0.4
169.01404	3.2
170.01802	0.4
173.02338	0.4
175.04018	0.3
178.05118	7.3
181.42699	0.3
185.33307	0.3
189.02008	0.4
190.05139	1.6
191.03452	0.7
196.18657	0.3
199.53456	0.3
201.01910	0.4
203.03482	0.5
217.01582	0.5
219.03024	0.4
229.01497	0.4
229.12740	0.4
241.01450	0.8
245.00897	1.4
247.02470	1.6
256.09790	0.7
270.01724	1.3
271.02368	0.8
273.00366	1.7
274.01031	0.3
275.01874	0.4
291.01486	0.8
298.10867	100.0
299.02011	1.2
299.11194	9.0
300.99936	1.3
460.08945	1.0
460.16125	1.5
461.07797	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	460.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84613	0.2
55.32745	0.2
55.53071	0.2
55.93362	0.2
59.01389	0.5
59.69291	0.2
63.63272	0.2
69.46133	0.2
71.01403	0.4
71.30454	0.3
80.38930	0.2
83.01385	0.2
85.02938	0.3
91.05544	0.7
93.03474	1.4
101.02439	0.3
103.83515	0.2
106.04257	0.5
107.01398	0.3
107.05042	2.1
109.02959	0.9
113.18898	0.2
114.06459	0.2
117.03456	0.3
119.05040	0.3
121.02967	0.4
123.00912	0.5
123.04495	0.3
124.31439	0.2
125.02460	2.3
133.02950	1.4
134.03751	1.1
134.06168	0.5
135.04544	44.3
136.04010	0.5
136.04889	1.7
136.06746	0.3
136.07703	3.6
137.02458	2.4
139.01602	0.2
147.04526	0.6
148.04169	0.4
148.05321	6.7
151.00418	0.4
153.02037	0.3
160.04117	0.6
161.02477	4.3
164.04869	0.3
164.07230	0.2
167.03532	0.8
168.00713	0.3
169.01462	2.3
178.05122	7.6
179.05566	0.3
179.07060	0.5
181.78677	0.2
190.05133	2.9
191.05362	0.2
201.24387	0.2
254.96994	0.2
256.09854	0.7
263.05630	0.7
289.03601	1.6
298.10873	100.0
299.11240	8.6
346.73682	0.2
458.13104	0.3
460.09869	0.4
460.16193	5.8
461.07681	1.0
461.16379	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	460.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00628	0.3
58.55896	0.3
59.01382	1.0
61.98832	0.5
62.67281	0.3
71.01392	0.4
71.26540	0.4
80.92362	0.3
93.03467	1.1
108.02216	0.4
109.03001	2.0
119.05026	0.7
121.02970	10.1
123.00877	0.5
125.02473	1.1
126.82825	0.4
128.61816	0.4
133.03004	0.5
133.05225	0.4
134.03766	0.5
135.04527	1.0
136.07738	0.4
139.07715	0.4
145.02974	1.0
147.04593	0.5
152.03558	2.7
153.31119	0.4
158.03745	1.3
159.04529	4.0
161.02460	0.4
162.05635	0.5
169.01468	0.7
169.06638	0.3
173.02455	1.0
174.03218	0.7
174.06866	0.5
176.03560	0.7
183.08174	0.5
185.06129	0.8
187.04102	0.4
188.03516	0.4
193.06635	0.5
195.04471	0.7
195.08127	1.0
196.05307	0.9
197.06102	2.1
202.05103	0.5
209.06088	1.0
211.04166	0.9
211.07646	4.4
220.05226	0.9
221.06110	3.2
222.06801	0.5
223.04083	0.7
223.07724	2.2
224.04784	0.9
225.05548	0.8
235.04086	0.5
235.07617	0.8
236.04892	0.7
237.05583	3.8
237.09143	0.5
238.06270	0.9
239.07182	7.9
240.04390	0.4
240.07593	0.4
247.03828	0.5
248.04802	1.7
249.05588	4.7
250.06277	1.3
251.03456	4.1
251.07144	1.2
252.04118	0.6
252.07797	0.5
253.04955	0.4
253.08702	2.4
255.02934	0.5
263.07159	1.5
263.12881	0.6
264.06747	0.6
265.05106	4.1
265.07913	0.6
266.05750	2.3
266.08252	0.5
267.06644	22.9
268.07306	6.1
269.08044	0.9
277.04956	0.6
277.08447	0.5
278.08548	0.6
279.06650	3.8
280.07434	3.7
281.08249	13.2
282.09015	13.4
283.09772	14.0
284.03290	5.2
284.10040	1.1
293.04593	4.9
293.07632	0.6
294.05115	0.9
294.08002	1.0
295.06454	0.4
295.09882	3.2
296.10559	21.4
297.11331	43.1
298.04785	0.4
298.11667	3.3
299.05649	10.4
308.09711	0.6
309.07581	1.2
310.07336	2.1
310.10724	0.5
311.08182	2.0
322.07227	1.2
323.08191	2.5
324.08804	1.5
325.09427	0.5
326.10214	2.2
338.10397	4.4
340.11615	0.4
373.05371	0.4
374.14212	1.1
384.12503	0.4
402.13525	2.6
412.12024	1.1
413.12723	0.5
430.12985	40.5
431.13354	4.9
444.14697	0.6
445.15387	20.4
446.15591	1.6
460.17725	100.0
461.11139	2.2
461.17990	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	460.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.2
61.98824	14.6
65.63585	4.0
69.01475	41.6
69.03463	13.0
71.01381	25.7
73.02967	9.8
85.02958	8.5
92.05075	9.3
101.02475	15.5
107.01415	6.6
113.02474	10.5
120.04605	4.0
123.00912	7.2
124.01670	4.7
125.02470	18.4
131.03784	50.0
132.04570	100.0
139.04108	5.2
139.11301	23.8
158.06029	4.1
161.04607	23.4
169.01451	14.2
177.48083	4.2
182.43440	4.0
183.10272	79.9
248.41614	5.0
307.03693	4.5
385.10422	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	12.4
61.98836	100.0
69.08800	3.5
71.46706	3.4
95.99229	3.7
98.21788	8.1
98.22470	16.1
117.03508	3.6
267.08078	3.6
412.16342	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	460.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90266	5.2
54.55985	6.1
57.03437	7.9
58.50606	6.6
59.01384	91.8
60.03322	5.7
69.72662	33.9
71.01385	72.8
73.02933	11.4
85.02963	24.9
89.02455	57.6
98.02531	7.1
101.02457	34.5
109.02962	18.9
113.02460	22.5
116.82053	6.1
119.03523	12.0
125.02464	30.1
134.03719	8.5
137.02452	7.7
159.03134	8.9
159.04549	40.0
161.04605	38.2
175.04007	8.4
198.69092	6.2
243.27267	7.2
271.02487	14.9
278.53085	7.0
280.48795	8.1
281.08060	8.9
296.10544	17.1
299.01962	19.3
311.12897	78.7
417.25006	100.0
418.25348	20.3
423.07135	11.4
460.11038	22.2
460.17419	12.5
461.10919	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33039	2.5
59.01384	15.1
64.73975	2.3
69.12140	6.2
69.12560	14.2
71.01392	17.0
73.02968	2.6
85.02902	6.2
89.02460	12.0
99.00912	3.0
101.02455	10.3
107.01402	3.0
111.00790	2.8
113.02454	8.3
118.92919	2.3
119.03466	5.5
123.00880	11.0
124.01186	3.7
125.02469	18.5
126.02815	5.7
126.39307	2.2
138.49986	2.3
139.00395	3.6
140.01131	2.9
151.00377	5.6
152.00638	3.2
161.04501	6.5
169.01448	22.4
170.01740	8.2
179.05649	3.0
255.03001	5.2
271.02502	15.2
300.02771	38.5
315.05130	39.9
402.55319	2.3
417.25110	26.1
424.22665	3.1
460.19073	100.0
461.10745	7.7
461.19382	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	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
60.47170	3.4
65.00340	5.8
69.21284	18.8
69.21709	8.5
71.01403	19.6
73.02959	4.3
81.81592	3.2
82.33472	3.3
85.02943	10.2
89.02464	11.6
95.01395	4.9
99.00863	4.1
101.02476	7.3
107.01373	5.2
113.02448	16.7
119.03539	6.2
125.02466	6.8
151.00343	19.9
161.04576	19.5
163.00423	7.8
170.06137	9.5
178.99899	8.1
197.04781	6.3
198.05569	9.7
201.05598	4.3
225.04225	4.0
226.04994	6.3
227.03526	7.5
229.05057	8.4
237.64374	3.3
239.03679	4.3
243.03009	10.8
253.03789	12.8
254.04604	34.8
255.03033	31.7
256.03421	4.5
257.04663	3.8
271.02481	60.1
285.04059	53.5
286.04477	3.7
298.03589	50.9
299.01871	6.9
300.02744	100.0
301.03540	78.4
416.10043	4.1
417.24957	31.7
418.25430	5.2
433.07843	36.1
460.09061	18.1
461.11456	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	461.073
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.01851	0.2
55.01878	0.3
56.69427	0.2
57.03452	1.4
58.00561	0.2
59.01382	5.8
63.02403	1.0
65.00326	0.4
67.01900	0.3
68.99811	0.3
69.13776	2.0
71.01389	7.2
72.61275	0.2
72.99289	0.7
73.02942	0.6
75.00873	2.6
82.98496	0.2
83.01372	1.2
85.02957	9.3
86.03308	0.2
87.00877	1.8
89.02440	1.0
89.13593	0.2
91.01884	0.6
93.03468	2.5
95.01394	2.5
99.00888	4.1
101.02494	0.3
103.00392	1.9
107.01407	2.4
109.02959	1.0
111.00855	0.3
113.02460	13.1
115.00379	0.8
117.01983	1.0
117.03458	0.9
119.01392	0.3
129.01959	1.0
130.04289	0.3
131.05066	0.5
131.67322	0.2
133.03015	0.3
135.00911	1.2
137.02443	0.3
141.07088	0.3
143.05045	1.7
145.03012	0.5
145.06578	0.4
151.00348	1.7
153.01886	0.4
154.04268	0.6
155.05009	0.5
156.05847	0.4
157.01466	0.3
157.06589	1.2
159.04536	2.3
161.02412	0.2
163.00418	2.5
165.01953	0.7
167.05031	0.7
169.06606	0.8
171.04576	1.2
173.02388	0.4
173.06059	0.3
175.02501	2.4
183.04512	0.5
184.05193	0.3
185.06102	3.3
187.04010	4.2
189.05595	1.6
192.00609	0.3
195.04530	1.0
196.05190	0.3
197.06120	0.9
199.03973	1.1
201.05569	1.1
206.12767	0.2
208.57196	0.3
211.04002	2.2
212.04697	0.3
213.05586	2.6
213.82457	0.2
214.02776	0.3
214.06029	0.3
215.03532	0.7
227.03484	3.4
228.03899	0.4
229.05067	13.0
230.05396	1.0
239.03467	1.8
240.04221	0.9
241.05052	1.7
243.02980	0.7
255.02959	1.9
256.03729	1.1
257.04572	7.5
258.04922	0.5
267.02933	1.1
268.03723	0.3
284.03152	0.3
285.04062	100.0
286.04437	7.3
286.07660	0.4
409.79382	0.2
461.07288	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	461.0733
Annotation	Stenophyllin
Peak:m/z	Relative Intensity
52.56673	0.5
57.12296	0.5
59.01385	6.1
64.29485	0.6
65.00373	0.6
66.01641	0.5
71.01369	1.9
75.04981	0.5
81.64208	0.5
85.02938	1.5
89.02431	1.4
90.38167	0.5
93.03391	0.6
107.39581	0.6
109.02997	1.1
110.12728	0.6
125.02460	4.1
131.30583	0.6
135.04503	2.4
137.02443	0.7
151.00325	0.9
161.02377	0.9
169.01393	1.5
178.99832	0.5
179.03464	1.8
186.06821	0.6
197.99536	0.7
199.03972	0.8
207.10257	1.5
213.02026	0.6
225.11331	1.3
227.03442	0.7
243.02954	1.3
252.35243	0.6
254.99414	1.7
255.02977	0.7
257.00934	1.7
269.98068	26.5
270.98471	1.5
271.02521	2.1
285.00430	14.1
286.00775	0.6
297.97562	49.4
298.98172	4.3
299.01724	4.5
300.02661	0.6
300.99924	0.7
301.03058	0.7
311.12939	1.7
312.99918	100.0
314.00351	6.9
315.01563	1.5
328.02246	67.9
329.02637	5.1
341.02902	0.6
349.81412	0.6
446.04990	7.9
447.05194	1.1
461.07275	70.6
462.07684	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	461.0735
Annotation	Kaempferol 3-glucuronide
Peak:m/z	Relative Intensity
57.03431	1.4
59.01374	5.8
63.02391	1.2
66.81328	0.9
71.01389	8.1
72.99289	1.4
75.00871	3.4
83.01371	1.0
85.02954	11.0
87.00882	2.7
88.63203	0.7
89.02456	1.6
91.01917	0.8
93.03444	3.5
95.01392	3.1
99.00900	3.9
101.02467	1.2
103.00382	2.0
107.01392	2.0
109.02943	2.5
113.02467	16.0
113.89478	0.8
115.00405	0.8
117.01935	1.2
117.03486	1.3
119.05045	1.0
123.00897	1.4
125.02476	8.5
133.02943	1.0
133.67313	0.7
135.00917	1.5
135.04501	1.2
137.02438	1.8
139.00439	1.0
143.05077	1.8
145.02951	1.9
151.00371	1.8
153.01889	1.4
157.06618	1.1
159.04503	2.5
161.02428	2.7
163.00406	2.2
167.05093	1.5
168.00623	0.8
169.01433	5.2
169.06624	0.8
171.04559	1.1
175.02496	3.7
175.03911	1.4
183.04564	1.2
185.06110	2.8
187.03989	4.2
189.05647	1.1
195.04474	1.0
196.05225	1.0
199.03894	0.9
201.05698	0.8
207.10347	1.8
210.63171	0.7
211.04039	2.7
213.05573	2.5
225.11316	1.0
227.03436	3.6
229.05055	11.9
230.05330	1.5
239.03476	2.2
241.05157	1.3
247.02510	1.1
255.03033	6.3
256.03656	1.3
257.04599	7.0
267.02991	1.7
273.00418	1.4
283.02484	3.4
284.03146	1.0
285.04074	100.0
286.04517	7.3
297.03995	1.3
301.00146	1.2
459.49905	0.9
461.12054	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	461.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25907	3.3
58.81698	2.6
59.01386	71.7
59.06197	2.7
60.99331	6.6
69.03471	20.2
71.01390	79.9
71.26501	3.6
71.26899	3.3
72.99333	5.4
73.02947	13.9
75.00885	5.4
77.54241	2.8
79.01894	4.6
81.03461	10.7
83.01387	7.0
83.04237	2.8
85.02938	14.9
87.00890	5.9
88.98817	48.7
89.02454	98.0
93.03487	6.5
95.01401	9.1
97.02965	20.1
99.00900	17.2
99.04535	3.7
101.02451	17.3
107.01411	18.0
108.02194	11.4
109.02956	14.5
112.01145	3.5
113.02459	10.2
115.04008	7.5
119.03583	4.7
121.02989	3.6
123.00883	10.4
123.04545	16.9
125.02459	100.0
131.03488	9.2
135.00902	27.3
135.04529	12.6
136.04787	4.5
137.02449	8.1
148.90958	3.8
149.04550	10.1
152.01210	17.4
153.01935	13.8
161.04501	3.9
165.01962	4.7
166.02753	3.7
167.03502	58.5
169.01439	39.9
176.90523	6.2
191.03519	8.2
191.05658	8.2
233.06682	35.0
241.11952	3.6
293.08823	26.0
298.10730	8.6
299.11261	25.2
299.14301	4.1
337.87222	3.0
338.95834	3.8
362.16586	3.2
379.25775	3.8
395.29300	3.3
429.10416	40.4
461.07098	6.4
461.13220	11.4
461.20502	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	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.4
66.92148	0.4
70.66474	1.1
87.31746	0.4
97.02957	0.5
108.02195	0.5
115.48472	0.3
124.01705	0.5
125.02457	1.1
147.00946	0.9
148.01649	0.6
151.00386	0.4
157.02977	0.4
165.01985	1.1
165.31618	0.4
169.01451	0.7
173.37204	0.4
197.02577	0.5
198.03239	0.9
199.03983	1.2
203.03542	0.4
213.01996	0.7
213.05643	0.4
214.02751	3.4
215.03548	0.6
225.01999	0.9
226.02667	0.9
227.03519	1.8
229.01323	0.5
229.05223	0.5
240.04286	0.4
242.02226	15.3
243.02853	3.2
253.01392	1.0
254.01959	0.4
255.03162	0.7
257.04593	7.8
258.05075	0.6
261.31622	0.4
268.03796	1.3
269.00879	1.1
269.04520	0.9
270.01730	19.9
271.02475	20.1
272.02853	1.1
285.04083	61.7
286.04749	14.1
287.05133	0.9
298.01434	0.4
299.01996	3.8
309.06189	0.6
313.03595	24.9
314.04340	27.5
315.04736	1.5
328.05978	0.7
329.06696	100.0
330.07043	8.6
371.07791	0.4
403.06970	0.6
446.08582	6.7
461.11032	9.5
462.11200	1.1
468.85699	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	461.1094
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
59.01383	3.1
61.98812	1.3
69.20341	2.4
71.88641	0.3
72.85205	0.5
88.98801	1.3
88.99317	0.3
89.02440	0.3
93.02368	0.3
94.73916	0.3
101.02435	0.4
107.01418	0.6
121.02952	0.4
124.70120	0.3
125.02472	0.4
125.13833	0.3
129.52367	0.3
133.03023	1.4
148.01678	0.4
151.00374	0.7
169.01425	0.5
171.10497	0.3
184.34033	0.4
227.03462	0.3
255.02979	4.2
256.03735	1.5
263.13013	0.7
283.02466	2.1
284.03278	54.4
285.03638	3.8
298.04803	2.1
299.05624	100.0
300.05966	7.8
461.10950	17.3
462.11111	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	461.1095
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
52.11998	0.3
53.62017	0.3
54.05446	0.2
55.96425	0.3
63.02392	0.3
65.00324	0.4
74.22976	0.2
80.05743	0.2
83.01364	0.3
88.98806	0.5
93.03467	0.5
95.27416	0.3
96.85263	0.2
98.21796	0.5
107.01385	0.5
117.03459	0.9
125.02444	0.5
141.03473	0.2
146.06149	0.4
150.20605	0.2
151.00418	1.3
155.04997	0.4
159.04529	1.0
171.04608	0.4
182.03767	0.4
183.04550	4.6
185.02429	0.6
187.03891	0.3
199.03989	0.4
211.04041	2.6
217.87823	0.3
227.03535	2.9
255.03015	43.5
256.03412	2.8
269.98120	0.3
271.02527	0.8
283.02512	100.0
284.02966	8.9
289.07227	0.6
297.97568	0.7
298.04852	0.7
299.02045	1.4
299.05585	12.2
300.02954	0.3
300.06030	1.0
312.99863	1.4
328.02310	0.9
341.06628	0.4
446.08591	21.4
447.08917	2.6
461.10992	40.5
462.11331	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	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94268	0.6
59.01387	34.2
60.99289	0.7
67.01881	0.7
68.76000	0.8
70.57655	1.9
71.01390	7.0
72.99307	1.1
78.95882	0.8
83.01363	0.9
85.02956	2.0
87.00897	2.2
88.98795	1.3
89.02448	9.0
95.01408	0.8
101.02451	5.9
107.01401	2.3
111.00896	4.8
113.02428	3.3
119.03505	4.3
123.00888	4.9
124.01659	1.5
125.02458	20.6
126.02850	0.6
129.05603	5.0
139.00377	2.2
140.01187	2.7
151.00404	3.9
156.39908	0.7
167.03502	0.8
168.00671	9.0
169.01445	37.2
170.01836	1.5
179.05608	1.0
183.03014	0.8
191.01970	2.5
211.02498	41.7
212.02786	1.8
215.01016	0.7
222.13492	0.7
241.03529	1.8
247.02603	0.8
271.04614	59.5
272.04950	3.1
309.11954	21.7
310.12354	1.1
331.06686	5.4
333.05927	1.3
399.12897	6.2
401.10904	15.2
402.11301	1.1
443.11960	2.9
461.13052	100.0
462.13306	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	461.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05863	1.1
59.01101	2.0
59.01386	38.6
59.29171	1.2
65.00335	2.8
67.01839	1.1
69.27107	9.5
70.70830	1.2
71.01383	20.4
72.99319	1.9
73.02941	3.6
83.01405	2.0
85.02951	1.7
87.00867	1.6
89.02455	26.9
91.01887	8.1
93.03474	1.7
95.01407	2.6
97.02927	1.7
98.22555	2.4
99.00900	7.2
101.02438	12.4
102.82789	1.3
107.01400	3.2
108.02145	7.7
109.02968	2.2
111.00856	2.8
113.02476	5.3
117.97303	3.7
119.03469	7.3
123.00883	8.1
123.04533	29.3
124.01682	3.2
125.02470	28.3
129.05585	4.6
131.03514	2.8
131.08255	6.7
137.02451	8.2
139.00369	2.1
144.11427	3.3
149.04562	4.2
151.00368	4.3
152.01163	12.5
161.02385	2.1
167.03506	100.0
168.00594	7.6
168.03778	3.2
169.01431	34.0
170.01767	2.8
173.10446	4.3
186.12627	1.8
191.05592	2.0
209.04556	6.0
211.02475	32.0
211.04158	1.3
230.11401	2.3
233.06668	3.7
271.04599	42.0
272.04950	2.6
272.13599	4.8
293.08768	4.2
309.11951	25.4
310.12231	2.2
313.05725	1.4
331.06757	4.9
371.10306	1.5
399.12952	4.4
400.78787	1.4
401.10953	11.4
417.18863	2.4
417.92798	1.5
423.09528	2.8
461.13034	81.8
462.13782	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	461.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.4
59.01386	44.9
69.05070	4.8
69.05489	2.5
71.01388	23.3
72.99318	5.4
73.02957	1.2
75.94801	0.9
83.01393	1.3
83.05055	0.9
85.02952	4.6
85.06631	0.9
87.00864	1.7
89.02453	31.4
95.01408	2.4
98.21788	1.7
99.00897	0.9
101.02454	21.1
107.01393	4.3
111.00877	1.8
111.04491	1.4
113.02464	10.9
117.97346	1.7
119.03512	15.0
119.35986	0.7
123.00900	4.9
124.01717	1.0
125.02462	19.9
129.05598	17.0
131.03548	0.8
133.02946	1.0
134.88463	0.8
137.02478	1.1
139.00372	2.5
140.01149	2.3
143.03510	1.2
145.02966	1.9
147.04543	0.8
147.06671	2.4
151.00398	2.6
153.01953	0.7
161.02438	1.6
166.99820	0.9
168.00697	5.2
169.01447	24.8
169.02840	1.6
173.02473	1.6
175.03987	1.4
189.01945	2.1
191.03506	2.6
201.02005	2.0
203.03442	0.8
211.02499	18.6
217.01436	2.5
219.03088	1.7
229.01349	1.8
231.03029	0.9
245.00902	3.5
247.02481	3.4
271.04620	15.4
273.00470	4.3
275.02048	4.0
291.01514	2.7
300.99991	4.0
309.11942	69.0
310.12125	4.3
415.12399	1.8
443.12033	0.9
461.03110	2.6
461.13058	100.0
462.13486	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	461.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
60.72780	1.0
65.11741	1.2
69.13023	10.2
93.03452	1.2
109.03036	1.5
109.81153	1.1
121.02962	6.6
122.03237	1.5
123.00858	1.1
125.02495	2.0
133.02977	2.5
139.07637	4.0
152.03520	6.2
159.04523	2.7
169.01453	1.6
193.04196	1.2
211.07666	1.7
212.07928	1.2
223.07440	1.4
224.04646	1.5
237.05487	2.0
238.05989	1.7
239.06990	4.2
240.07462	3.7
249.05431	3.3
250.06021	2.5
251.03647	2.2
252.03812	2.3
252.07478	1.6
253.08685	1.6
255.03026	4.4
256.03821	2.0
263.12863	8.8
266.05621	2.8
267.06519	11.0
268.07031	14.0
269.07532	2.1
271.02719	1.2
280.07181	2.8
281.08112	7.2
282.08768	12.2
283.02475	2.2
283.09552	9.5
284.03311	53.4
284.10056	7.5
285.03595	4.4
293.04559	1.9
294.04880	1.4
296.10632	6.7
297.11139	25.6
298.11642	26.1
299.05634	100.0
300.05951	7.1
310.07321	1.7
311.08011	1.5
324.08389	1.9
326.10345	1.5
329.02893	2.2
338.10141	1.8
339.10696	3.9
403.13809	3.4
430.13034	3.2
431.13239	37.4
432.13736	1.7
445.14966	1.7
446.15793	15.3
461.11057	15.9
461.17963	96.8
462.11398	2.4
462.18219	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	461.2188
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
60.36184	3.5
94.07554	3.6
94.98270	4.4
97.25315	3.6
101.10564	3.8
110.00100	5.0
111.00875	11.5
113.02489	4.1
124.01690	7.4
125.02469	32.9
127.00354	4.5
136.98866	9.0
139.00336	11.0
140.01140	16.3
151.00319	4.3
168.00658	27.1
169.01450	36.2
185.59189	4.5
229.02126	5.2
229.04198	5.7
285.04083	17.9
309.20776	10.5
318.45169	4.2
386.80060	3.8
443.21280	5.0
461.21851	100.0
462.22263	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	461.364
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
51.14090	1.4
69.03464	17.6
71.05249	3.1
72.99300	6.6
78.22234	1.7
78.48495	1.5
82.97690	1.5
95.01172	1.6
107.05119	1.4
109.06604	13.3
111.08170	10.7
165.42477	1.6
180.42293	1.7
216.84232	1.6
303.26959	18.3
357.31671	4.9
387.36334	32.7
388.36789	5.4
397.34912	16.1
398.34949	1.9
413.34619	2.2
415.35861	15.8
416.36139	2.7
431.35245	5.8
461.36404	100.0
462.36557	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	462.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	16.9
59.01378	2.6
64.12087	2.3
66.88577	2.2
69.03449	2.6
71.01345	4.2
81.03468	4.6
83.01385	9.3
83.84457	2.0
84.00732	2.7
88.98824	5.3
93.03470	2.3
95.05037	4.6
97.02958	4.5
109.02967	32.4
111.00893	5.0
113.02382	2.5
116.05112	2.9
121.03011	3.0
123.04529	23.7
125.02458	100.0
126.02803	5.1
128.05058	3.0
129.52399	2.6
131.03748	10.7
135.04530	6.2
137.02440	39.5
139.03999	2.5
144.04544	15.9
145.02977	23.7
146.03685	3.7
146.06133	61.2
147.06485	3.6
149.02437	11.6
151.00378	6.2
151.03961	8.0
159.04465	14.8
160.05232	2.4
161.02463	5.4
161.06065	12.8
163.04025	4.2
165.01947	2.9
165.05609	3.4
169.01390	5.7
172.04074	5.3
174.05595	2.6
175.03969	4.6
175.07677	2.8
178.99873	3.8
179.03540	5.4
183.04532	3.7
185.06065	4.9
187.04018	10.5
188.04832	3.8
190.05103	57.7
191.05377	4.0
201.05595	4.9
202.06126	2.8
203.07121	16.7
205.05051	8.8
209.06120	3.6
210.05542	4.4
211.04129	3.9
221.08209	3.4
225.05524	3.4
227.03435	3.1
227.07182	7.6
229.04654	2.3
230.02303	3.8
230.05502	2.5
245.08253	16.0
252.06674	6.0
253.05038	25.4
255.02945	3.8
256.03494	6.6
266.08142	3.2
271.02829	5.0
271.06146	53.5
272.06552	3.6
283.02472	10.1
284.02786	17.6
285.03784	3.0
286.04453	8.4
289.07214	93.5
290.07556	7.3
294.07782	8.8
300.02725	9.7
300.05875	3.3
301.00201	4.7
301.03510	17.4
301.07169	9.6
312.08762	8.6
358.11081	3.1
360.08817	7.7
376.12262	3.8
400.11838	4.0
418.12964	7.8
447.08743	6.6
450.65912	2.6
462.11469	20.1
463.08972	7.4
463.25613	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	462.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.9
59.01380	6.0
63.02397	5.1
64.21751	1.9
65.00319	7.0
69.03472	7.0
69.03903	11.4
70.07142	1.6
71.01385	2.7
71.44859	1.8
79.78220	1.6
81.03474	4.3
83.01391	11.4
93.03474	4.1
95.05037	4.0
97.02979	5.1
98.22548	4.1
107.01403	9.7
109.02954	29.5
111.00893	5.4
113.01698	1.9
121.02976	14.6
122.03722	2.0
123.04533	21.3
125.02459	97.7
128.05090	2.6
131.03799	6.9
133.03012	2.3
135.04567	5.2
137.02454	44.9
138.02835	1.7
139.04012	4.1
144.04587	24.1
145.02942	21.0
146.03696	3.3
146.06139	61.4
147.06453	2.1
148.01750	2.0
149.02441	11.3
151.00371	39.5
151.03940	8.4
159.04558	14.4
160.05234	1.9
161.02478	6.0
161.06065	9.8
162.03210	3.4
163.04045	3.1
163.94411	1.9
164.01074	4.5
165.01924	2.2
165.05614	3.0
167.03517	2.0
169.01419	8.9
172.04059	4.7
173.06116	2.3
174.05585	3.0
175.04042	5.2
175.07797	2.3
178.99901	15.8
179.03488	5.2
182.06178	1.9
183.04541	2.6
185.06113	7.9
187.04021	9.1
188.04704	3.9
190.05104	50.5
191.05446	2.6
193.87520	1.8
198.05710	4.1
201.05623	6.3
202.06351	2.6
203.07156	17.3
205.05109	6.5
205.55380	2.0
210.05663	6.6
211.03992	2.9
225.05605	2.3
227.07077	4.2
229.05148	5.4
230.02321	3.9
234.05794	2.3
245.08185	12.9
252.06679	7.6
253.05026	19.6
255.02998	4.6
268.09924	2.6
271.02658	7.2
271.06107	44.0
272.06744	2.8
273.04233	2.0
285.04068	4.6
286.04459	6.7
289.07187	84.7
290.07541	5.6
294.07635	11.3
299.99475	3.3
300.02585	11.6
301.03552	100.0
312.08868	11.3
316.02017	2.0
317.03397	2.1
358.10770	3.9
360.08868	5.1
376.11856	2.5
400.11874	5.2
418.12912	8.1
444.11261	2.6
462.12283	10.5
463.08920	29.1
463.25790	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	462.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	18.4
70.58308	1.4
71.81060	1.5
93.38123	1.4
98.21738	4.0
111.81886	1.4
128.62234	1.5
136.65594	1.8
141.38072	1.3
162.03279	1.8
169.06538	1.8
175.03943	2.0
191.03462	2.5
194.02238	1.6
197.06094	3.2
212.04723	2.4
213.05571	5.6
223.04021	2.9
224.04657	1.8
225.19460	1.6
227.03535	1.4
237.11412	2.0
239.03490	3.5
240.04253	1.7
241.05078	34.3
243.20038	1.4
268.03732	2.0
268.07175	2.2
269.04578	73.9
270.05054	8.0
283.06293	2.7
284.06931	64.4
285.07361	9.2
299.09283	100.0
299.99292	1.7
300.02631	2.1
300.06351	2.0
300.09482	8.3
310.04852	5.4
311.05136	1.9
325.07147	8.2
447.13217	1.8
462.15643	48.8
463.16064	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	462.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96322	4.0
56.92373	4.3
61.98517	6.2
61.98833	100.0
71.26192	6.7
76.77456	4.0
107.37317	4.8
127.28978	4.5
169.01379	5.2
193.06116	5.3
209.11887	5.4
299.99194	10.5
300.99954	8.9
321.70486	4.9
482.92603	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	463.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71305	0.5
69.47394	2.9
72.17233	0.6
75.12568	0.6
78.66354	0.6
115.15250	0.6
122.44702	0.7
160.01662	0.8
163.53581	0.6
172.01674	2.1
185.02426	1.1
200.01215	2.9
216.00638	2.5
228.00543	1.7
229.01360	2.1
244.00151	3.8
245.00722	1.2
257.00882	1.6
270.98761	0.8
271.99646	2.7
282.98846	1.1
283.99655	1.7
288.93542	0.6
298.98425	0.8
299.99136	100.0
300.99875	76.6
302.00208	4.3
396.19348	0.7
463.05225	70.1
464.05634	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	463.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13409	0.4
75.12574	0.5
84.57507	0.4
91.44621	0.5
125.02441	0.7
137.02452	0.5
150.35327	0.4
160.01653	0.9
169.01480	0.8
172.01651	1.3
185.02419	1.1
188.01161	1.0
200.01146	2.3
201.01964	1.1
216.00684	3.2
226.99820	0.8
228.00587	0.8
229.01440	2.4
242.99397	1.4
244.00163	3.7
245.00699	1.0
257.00891	2.6
269.64587	0.5
270.98849	1.1
271.99680	1.6
282.99011	0.9
283.99585	1.5
298.98416	1.3
299.99127	100.0
300.99878	51.9
302.00290	2.7
463.05228	67.9
464.05621	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	463.0887
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
63.02382	0.7
65.00311	1.9
65.14172	0.6
67.16908	0.5
81.62313	0.6
83.01385	1.2
91.01866	0.6
92.09306	0.6
98.22639	1.0
101.09695	0.5
107.01390	3.1
108.02177	1.7
109.02977	1.4
121.02963	1.7
122.44278	0.6
127.55995	0.5
134.16362	0.7
135.00893	1.8
148.01677	1.7
151.00372	10.3
163.00397	4.4
164.01138	1.3
165.01845	0.6
178.99875	6.6
180.00276	0.7
183.04533	0.7
199.04033	1.2
201.01944	0.6
211.03952	1.1
214.02682	1.1
215.03365	0.6
215.91536	0.6
226.02715	2.0
227.03571	4.3
229.05037	0.9
230.22574	0.7
242.02267	0.7
243.02982	13.4
244.03397	1.6
245.04565	1.6
254.02234	3.1
255.03011	27.0
256.03540	1.6
259.02560	1.1
271.02499	66.2
272.02899	5.3
273.03824	0.8
283.02411	1.1
287.01978	2.2
299.02045	1.0
300.02780	100.0
301.03503	49.8
302.03937	3.4
316.02304	9.1
317.02914	2.7
394.98547	0.6
463.08893	72.8
464.09152	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	463.089
Annotation	3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside
Peak:m/z	Relative Intensity
52.16319	0.1
59.01365	0.4
65.00323	1.4
70.05502	0.5
71.01392	0.3
73.63725	0.1
83.01371	0.2
85.02960	0.1
89.02435	0.2
95.01382	0.7
96.99345	0.2
98.22201	0.3
99.00857	0.2
101.02452	0.2
107.01408	0.4
107.05025	0.2
109.02945	1.2
110.00098	0.3
111.00910	0.9
113.02431	0.2
116.56054	0.1
117.93214	0.1
119.01456	0.2
121.02959	0.2
123.00893	0.6
124.98804	0.3
125.02470	0.6
133.02965	6.3
134.03654	0.3
135.00885	0.2
135.04530	2.3
136.01749	0.2
136.98827	1.6
137.02455	2.7
139.00383	2.7
143.05020	0.2
151.00375	0.6
159.04512	0.4
161.02501	0.4
163.00392	1.2
164.01184	0.6
164.98317	1.2
165.01952	2.3
165.99030	0.4
166.99898	2.4
169.01447	0.5
171.04623	0.2
173.02469	0.2
173.06041	0.2
174.03307	0.2
175.04036	0.8
178.99907	0.3
183.04535	0.4
185.06087	0.5
187.03992	0.9
189.02003	0.2
190.99883	0.5
192.00584	1.1
197.02426	0.2
198.03357	0.2
199.03957	0.3
200.04800	0.3
201.01999	1.0
201.05545	1.0
203.03506	0.5
209.11984	0.2
211.04085	0.9
212.04547	0.2
213.01939	0.4
214.02638	0.3
215.03551	0.7
216.04181	0.3
217.01398	0.2
225.31868	0.1
227.03568	1.1
228.04237	0.3
229.01382	0.3
229.04980	0.8
239.03554	0.5
241.01782	0.3
243.03029	0.2
244.03610	0.2
245.00917	0.1
245.04601	0.5
247.02513	0.3
255.03012	2.5
256.03641	0.3
257.00891	0.2
257.04507	0.4
271.02490	1.2
272.03223	0.4
273.04120	0.4
275.01938	0.2
283.02454	0.6
284.03259	0.3
299.02008	0.6
299.99176	1.4
300.02771	5.6
301.03552	100.0
302.03906	7.6
329.81519	0.2
427.19415	0.2
463.09293	2.2
463.25674	0.5
464.09235	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	463.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	1.1
59.01309	11.8
59.01633	1.7
63.02319	3.7
63.02670	1.0
65.00252	4.6
68.32069	0.6
69.30397	4.7
71.01302	8.8
72.99254	0.8
73.02865	2.1
81.03422	0.7
82.35254	0.5
83.01398	6.0
83.04936	1.9
84.02116	0.8
85.02903	1.4
87.00819	1.0
89.02454	16.6
93.03384	2.3
95.01340	0.9
99.00795	4.0
101.02451	6.1
107.01391	12.1
109.02852	2.1
111.14478	0.6
113.02361	2.6
113.03083	0.5
117.03455	1.3
119.03445	1.5
119.04972	0.9
121.02965	10.2
123.00793	1.9
124.01603	0.9
125.02464	11.4
125.06315	0.6
126.02757	1.1
127.04917	0.6
131.03387	2.3
133.02911	0.8
137.02335	2.2
139.00266	0.6
139.03973	0.8
140.01172	3.6
145.02997	4.6
149.02434	1.4
149.04568	9.7
151.00381	47.3
152.00655	1.9
153.01964	10.2
154.02281	0.7
155.03462	3.5
161.02399	1.4
161.04582	1.6
163.00336	1.5
163.11215	2.4
164.01076	1.2
165.12856	1.0
166.06331	1.0
166.99840	1.2
167.03415	0.7
169.01456	5.6
175.00252	0.6
175.03973	1.3
177.01897	1.0
178.99876	20.9
180.00075	1.3
181.94348	0.6
182.02217	0.9
187.03963	1.1
191.05600	1.4
193.01390	1.3
197.04507	1.4
201.05576	0.9
201.10947	0.8
209.11842	50.8
210.12106	2.8
211.03944	1.1
227.03374	1.6
227.12944	8.3
229.01289	0.9
229.05078	2.3
243.03004	4.5
245.04323	1.5
253.09392	5.8
255.03011	6.5
256.03256	0.9
257.04428	0.9
271.02463	14.6
272.02805	2.2
273.00391	0.9
273.04028	2.2
281.06638	0.8
283.02679	0.7
285.03989	1.1
286.04382	1.0
287.01999	1.3
287.04773	2.2
299.01938	2.8
299.99197	4.1
300.02704	24.4
301.03537	100.0
302.03830	7.0
307.08334	1.3
316.02261	7.2
317.02939	1.4
394.44403	0.7
401.14578	0.9
419.10199	0.8
445.07959	1.3
463.09045	23.2
463.26080	2.2
464.09311	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	463.0886
Annotation	Prionitiside A
Peak:m/z	Relative Intensity
59.01376	4.5
60.85522	1.5
71.01395	2.3
74.11250	1.4
93.03487	1.8
101.12521	1.4
109.03000	2.6
125.02476	6.5
137.02449	10.7
147.00916	1.6
149.02469	1.7
151.04051	1.4
163.00394	14.6
164.01167	4.1
165.02026	2.1
175.00365	10.5
175.04045	1.4
176.01201	2.7
183.04538	5.7
187.04074	3.9
189.02045	2.6
191.03529	3.5
199.04057	3.4
211.04114	4.2
213.02007	3.7
214.02679	1.7
215.03435	3.2
226.02785	2.0
227.03589	9.0
228.04018	1.4
233.04622	1.4
239.03625	3.4
255.02989	11.8
256.03888	4.1
257.04474	6.6
271.02579	3.4
272.03354	5.8
273.30087	1.5
277.94608	1.4
283.02521	77.0
284.02887	3.6
300.02780	9.9
300.99997	8.8
301.03662	13.2
463.09000	100.0
464.09390	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	463.1098
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
51.24730	0.9
57.09430	0.9
59.01383	19.6
61.95920	0.9
69.29861	2.0
69.30250	7.1
71.01386	9.9
72.99322	2.7
73.02930	1.8
75.00882	36.5
85.02943	2.6
85.69618	0.9
87.00880	1.8
87.04544	1.1
89.02448	14.4
95.01418	1.1
99.00927	1.0
101.02455	9.1
106.04821	1.0
107.01407	3.3
113.02466	6.5
119.03512	6.4
123.00871	3.6
125.02461	21.0
131.03532	2.6
139.00360	2.9
140.01131	3.7
149.04596	1.7
151.00386	4.2
155.03522	1.7
163.04047	1.2
168.00665	6.8
169.01427	26.9
170.01750	1.2
211.02504	25.6
211.04498	0.9
212.02806	1.2
241.03668	1.1
249.04051	1.1
271.04599	30.3
272.04797	1.1
275.01837	2.6
300.02881	3.1
300.99713	1.7
301.03262	1.9
311.09842	46.0
312.10281	2.5
313.05737	1.4
331.06750	3.5
387.09348	20.2
463.10953	100.0
464.11398	9.7
478.19043	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	463.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
59.39061	0.8
62.54884	0.9
65.00329	0.8
67.01866	1.6
69.03431	1.4
70.30766	2.3
71.01388	8.5
73.02950	1.1
79.01910	1.4
81.03450	1.0
83.01396	2.3
85.02942	2.8
87.00948	1.0
89.02450	1.0
93.03476	7.2
95.01411	1.9
97.02972	1.7
98.88707	0.8
101.02435	4.7
107.01399	15.4
108.02240	4.7
109.02967	1.6
111.00890	1.3
112.87011	0.8
113.02464	2.7
121.02943	1.8
123.00899	17.2
123.04608	1.0
124.01696	1.5
125.02464	79.1
126.02814	2.1
127.00416	1.0
133.02951	1.0
136.98827	1.5
137.02426	2.1
139.00417	6.7
140.01181	4.2
141.01927	1.7
149.06099	85.5
150.06441	4.3
151.00383	17.2
153.01926	1.5
161.02475	3.0
161.04539	2.4
163.00323	0.9
163.11261	0.9
167.03549	0.8
168.00684	4.4
168.02979	1.0
169.01442	91.6
170.01782	2.4
175.02287	0.9
175.61238	0.8
178.99861	1.9
179.03415	1.1
205.01163	0.9
209.11852	6.6
211.02367	2.1
219.13969	1.0
227.03616	1.7
227.12868	1.3
241.03677	1.6
243.02950	5.2
255.03041	12.5
263.12891	6.0
264.13251	1.0
270.99573	1.9
271.02505	30.0
272.03024	3.5
299.99539	2.1
300.02780	43.2
300.99973	2.3
301.03470	25.6
302.03928	1.7
313.05688	72.1
314.06046	4.6
384.22522	1.0
463.13028	100.0
464.13321	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	463.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	3.2
59.01384	72.2
60.01297	1.0
66.07931	1.2
69.03471	8.9
69.33211	8.4
71.01388	77.5
72.99313	3.0
73.02954	11.4
75.00891	2.8
75.10819	1.5
80.59453	1.3
81.03474	5.3
81.51147	1.1
83.01399	5.1
85.02968	7.6
87.00902	2.5
89.02453	100.0
90.02770	1.5
95.01386	2.8
97.02965	12.3
98.22617	1.2
99.00894	17.4
99.04521	2.1
101.02450	13.4
107.01429	1.6
111.00909	4.9
113.02480	8.0
115.04029	9.3
119.03480	3.2
125.02459	56.6
126.02782	1.5
127.03983	1.3
131.03519	9.6
137.02441	1.9
139.00407	27.2
140.01221	7.1
143.03522	4.0
149.04570	15.0
153.01961	4.2
154.02727	19.6
155.03522	10.5
161.04549	2.5
165.22990	1.2
168.00667	3.0
169.01479	2.3
169.05069	8.0
173.04526	1.6
175.06183	1.7
191.05577	8.3
211.02397	1.4
214.20915	1.2
215.05699	1.3
233.06667	34.5
234.06978	1.6
271.04367	1.8
274.06461	1.3
293.08829	29.1
294.09134	2.2
311.09970	1.4
402.96841	1.5
403.03455	1.7
463.10446	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	463.2347
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
59.01378	1.4
62.04894	1.3
70.42103	1.4
70.43635	5.0
78.95912	16.1
87.74949	1.5
89.13973	1.4
94.38324	1.3
121.02975	14.9
124.01682	5.1
125.02451	8.0
149.02525	2.3
150.03247	1.9
151.00426	1.5
152.99605	26.5
161.02483	6.0
162.03285	2.0
163.04070	5.7
164.04791	2.5
166.02852	1.5
168.00681	4.1
169.01430	3.9
172.05270	1.8
175.03973	6.8
176.04771	6.4
189.05574	2.3
190.06363	2.1
192.00670	3.4
193.01476	6.3
201.05670	3.6
203.07111	2.4
203.14517	2.0
204.08052	1.6
205.01508	2.2
219.03032	1.7
219.13911	2.2
229.12312	2.4
232.11174	1.9
233.11836	5.0
247.13399	50.0
248.13831	3.3
249.14983	2.5
271.02502	3.4
273.11395	3.1
291.12390	21.6
292.13031	2.0
299.99454	3.2
300.02765	6.7
301.03519	3.0
383.22263	5.3
401.23416	5.1
419.24469	5.5
463.09155	4.7
463.23434	100.0
464.23724	14.5
464.30215	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	463.3799
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
65.91217	4.0
69.03461	9.5
70.52021	9.7
72.99300	8.6
81.12714	3.7
92.55330	3.7
109.06608	6.2
111.04585	3.9
111.98759	4.4
135.49617	3.9
182.12213	4.0
231.54222	4.4
260.02646	4.0
262.81772	3.9
303.26892	21.5
352.05692	4.4
387.36334	17.7
417.37198	10.7
463.38062	100.0
464.38132	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18061	1.6
59.01386	22.7
61.98835	100.0
69.04581	12.3
69.05009	6.0
71.01379	3.6
73.02930	1.9
78.95899	3.5
85.02972	2.1
89.02449	2.6
90.71819	1.7
94.31751	1.7
96.53756	1.5
98.22487	3.1
123.00903	5.5
125.02448	10.9
127.62721	1.8
151.00446	2.0
152.64992	1.9
152.99623	2.8
168.00647	2.3
169.01436	20.6
196.24028	2.1
297.06442	2.0
300.99838	3.3
301.03204	2.8
303.12271	3.0
304.06232	1.9
313.05655	3.0
464.20319	2.3
465.07040	3.6
465.17633	25.7
480.15955	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	464.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12078	7.5
59.01385	28.6
61.98838	8.3
71.01391	56.3
71.27802	13.6
73.02953	19.4
83.01408	10.3
85.02962	32.2
89.02459	18.2
99.00877	11.7
101.02459	54.3
102.78437	8.9
106.83389	8.6
109.02963	11.5
113.02464	26.4
121.02988	10.9
123.00878	12.6
123.04504	8.6
125.02445	41.8
131.03535	48.1
137.02463	13.7
151.00349	12.6
160.12743	8.0
161.04587	37.3
169.01437	33.9
177.01961	26.2
177.66679	7.7
189.02007	7.9
217.01411	12.9
219.02960	8.8
271.02472	12.9
272.02896	10.3
289.16583	100.0
290.16623	10.8
300.02692	9.4
301.03391	38.7
301.06824	10.3
302.03815	21.9
313.05908	10.7
341.06659	45.4
343.65250	7.8
421.20996	12.3
464.09283	15.0
464.25537	11.0
465.06595	21.8
465.12567	9.6
465.27005	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	464.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18319	4.5
51.10918	5.2
59.01372	22.1
69.14560	27.8
69.14985	15.5
71.01393	59.4
71.66891	5.3
73.02938	17.7
77.26105	4.4
83.01389	12.9
85.02959	30.6
89.02453	20.8
95.01359	6.4
99.00879	9.7
101.02456	41.1
113.02450	35.0
125.02529	6.5
159.02983	7.9
161.04562	47.0
190.53383	4.8
199.66634	5.1
289.16599	100.0
290.16849	9.4
342.13028	4.7
358.01791	5.8
418.25381	11.3
421.20731	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28216	0.4
55.01884	0.4
56.76317	0.3
57.03455	0.3
59.01383	0.9
59.83471	0.3
61.98821	0.4
63.93618	0.3
65.00337	0.6
67.01891	1.1
69.03460	1.1
69.09185	2.2
71.01389	7.8
72.99319	0.7
73.02950	0.5
78.79917	0.3
79.01913	1.2
81.03460	0.7
83.01415	1.3
85.02966	2.3
87.00909	0.6
93.03436	0.5
95.01391	2.8
96.99297	0.3
97.02952	2.2
99.00853	0.4
101.02441	2.1
107.01405	14.3
107.05032	0.5
109.02937	0.7
111.00879	1.9
113.02468	1.7
121.02934	0.5
123.00004	0.7
123.00903	12.7
123.04540	0.5
124.01708	2.4
124.93258	0.3
125.02460	72.6
126.02769	1.8
127.00385	1.2
136.98837	1.9
137.02434	1.4
138.03256	0.5
139.00389	5.0
139.04027	0.7
140.01184	4.6
140.41608	0.3
141.01984	1.4
144.83842	0.3
149.02470	1.1
151.00377	8.8
151.04045	0.9
152.00999	0.4
153.01949	0.8
161.02377	0.6
163.04016	0.4
164.01244	0.4
165.01904	0.8
166.02859	0.3
166.99846	2.3
167.03523	1.8
168.00661	6.5
169.01440	100.0
170.01791	3.3
175.00449	0.3
177.01892	0.6
179.03514	1.2
181.01376	0.6
191.03531	0.5
193.01445	5.0
194.01837	0.3
195.02974	0.9
205.01363	0.4
207.02982	0.7
211.02502	8.2
212.02797	0.5
221.04376	0.3
223.02477	3.0
235.02458	1.4
237.04057	0.6
241.03596	1.8
253.03522	1.4
295.04630	4.0
297.06143	4.6
298.06470	0.4
300.99780	0.6
303.00467	0.3
313.05667	38.4
314.06073	2.7
375.47723	0.3
421.11591	2.3
442.94989	0.3
447.05453	0.3
452.92957	0.3
465.06696	93.8
466.07117	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	465.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80009	3.9
59.82430	3.8
71.01393	19.8
71.26814	7.3
72.99319	6.6
75.26333	3.8
85.02962	4.9
89.02443	4.5
95.01392	6.3
98.24261	4.7
107.01398	13.1
109.02944	5.1
109.08945	3.9
115.00386	39.6
121.02992	4.8
123.00935	20.1
125.02461	87.6
133.01443	100.0
139.00398	3.8
145.03046	4.7
147.04546	6.2
149.02467	6.1
151.00374	9.8
153.01962	8.5
166.02786	7.3
166.99846	14.1
169.01454	98.8
175.04027	10.2
177.01938	5.7
193.01556	4.5
199.04044	9.2
217.01503	5.6
217.05093	6.7
241.05125	17.9
242.42233	4.3
273.00815	4.9
285.04059	35.8
299.99466	5.1
300.99966	42.1
313.05624	21.9
322.86197	4.2
465.06027	39.8
465.12494	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	465.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.7
60.17925	4.4
64.51241	4.4
64.54059	4.2
69.03463	5.0
71.01378	20.1
73.02943	11.0
79.86880	4.0
85.02925	4.0
88.98801	10.4
89.02448	10.3
89.40692	4.0
95.01418	9.1
98.22562	9.4
101.02454	5.0
107.01397	15.1
109.03004	5.1
114.65276	4.7
115.00405	27.2
116.92862	10.1
117.01967	41.1
119.03452	5.6
123.00915	13.8
125.02452	76.7
131.08223	5.8
133.00487	6.7
133.01442	74.5
137.02417	5.2
141.01912	11.1
149.02484	8.1
151.00352	13.6
161.02487	4.9
165.01932	17.5
166.02803	5.1
167.03448	7.5
168.00665	7.6
169.01437	100.0
175.04048	8.4
177.01930	10.3
180.04306	10.4
193.01436	5.7
195.06613	23.0
199.03990	8.4
201.66905	4.5
211.02379	10.5
217.05106	4.2
241.05196	9.3
271.04724	5.1
285.04019	32.3
291.64493	4.3
300.99893	6.5
302.12726	4.9
303.04929	5.6
313.05670	16.9
331.06744	24.6
382.53220	5.7
390.22577	4.9
465.06601	36.9
465.12433	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73188	5.7
56.75048	6.2
57.96692	5.0
58.83027	5.4
59.01377	22.3
61.00193	5.3
66.22350	6.1
68.48755	5.4
69.15604	47.1
71.01392	28.0
72.99310	11.7
82.38003	5.5
83.17375	5.9
85.02977	13.4
87.00907	19.4
88.98788	7.9
89.02484	5.7
107.01368	10.2
111.00889	17.6
115.00352	58.2
121.58384	5.9
123.00877	11.1
125.02454	53.6
133.01431	100.0
139.35254	6.8
140.01143	6.8
141.01906	7.3
149.02486	5.8
151.00406	10.2
165.01859	8.2
169.01450	68.8
191.02005	11.8
193.01404	6.3
193.13217	5.5
195.06630	8.6
198.69142	6.9
211.02495	15.2
239.39937	7.2
251.19951	6.0
271.04675	16.3
285.04007	11.9
313.05865	7.3
331.06635	32.5
337.07742	11.2
434.48187	6.4
465.06647	8.7
465.12421	74.8
480.31885	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	465.1043
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03452	8.9
59.01335	2.2
65.00299	2.2
69.03426	0.7
69.15501	0.5
71.01402	3.1
79.01897	0.9
83.01389	3.7
85.02936	1.6
89.02448	1.3
93.03439	0.8
95.01389	4.7
97.02955	1.0
101.02424	1.3
107.01400	7.8
107.05038	1.1
108.49941	0.5
109.02936	2.8
111.00877	2.0
113.02443	1.4
118.22401	0.6
121.02962	2.3
123.00903	7.8
123.04545	2.6
124.01686	7.1
125.02460	100.0
126.02809	3.1
133.03024	1.3
135.04619	0.9
137.02475	2.3
137.14372	0.5
139.00407	3.7
139.04060	1.4
140.01163	1.8
145.03024	0.6
147.04538	0.9
149.02422	3.6
150.03288	2.9
151.00389	11.7
151.04028	5.6
152.01147	10.5
153.01974	5.6
154.02417	0.6
161.02550	0.9
163.00388	1.3
163.04134	0.9
165.02107	0.6
166.99913	2.0
167.03499	0.8
168.00697	3.2
169.01442	28.6
170.01833	1.5
171.04623	0.8
173.06125	1.0
174.03252	1.3
175.03990	5.2
176.01210	1.5
177.01956	4.1
178.99860	5.8
181.01538	0.9
183.03081	1.8
185.06116	0.8
187.04077	0.8
188.05003	0.6
189.05550	3.4
191.03612	2.4
193.01427	1.0
193.05151	1.7
199.04099	1.5
203.07349	0.7
211.02464	3.9
211.04285	0.7
213.05864	0.6
215.03491	0.8
215.07341	1.5
216.04333	1.1
217.01508	0.9
217.05067	7.1
221.04565	0.8
223.02415	0.9
228.79285	0.7
231.06714	1.7
235.06293	1.2
241.05325	1.3
256.04083	0.8
257.04608	0.9
258.05356	0.9
259.06097	11.4
260.06656	0.7
271.04724	4.6
274.04971	1.0
275.02774	1.2
275.05643	7.1
284.03525	1.6
285.04065	21.0
286.04623	1.4
295.04700	1.0
297.57999	0.6
299.99582	0.8
300.02921	0.7
300.99930	5.2
302.00104	0.8
302.03571	0.8
303.05130	7.7
304.05688	0.9
313.05713	9.8
313.08798	0.9
421.11414	4.3
437.10977	15.4
438.11710	1.4
447.09378	5.3
465.11118	48.3
466.11649	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	465.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.8
59.01372	3.2
63.02401	1.4
65.00320	2.9
67.01865	1.1
69.03451	0.8
71.01373	2.3
81.03452	1.3
83.01396	4.6
93.03486	0.9
95.01390	3.9
96.36339	0.9
97.02927	1.1
101.02444	0.8
107.01405	10.5
109.02949	2.5
111.00900	1.4
115.64299	0.9
121.02957	2.0
123.00906	6.4
123.04521	3.7
124.01658	2.7
125.02457	100.0
126.02802	1.6
133.02954	2.0
137.02448	1.9
139.00392	1.4
139.03990	3.1
140.01189	1.1
147.04482	1.4
149.02446	6.9
150.03139	0.9
151.00378	23.9
151.03976	3.0
152.01125	2.6
153.01958	15.3
157.02882	0.9
161.02440	1.4
163.00383	4.4
165.01837	0.9
166.99854	2.4
168.00690	1.9
169.01439	35.1
170.01756	1.3
173.05922	1.1
174.03209	1.8
175.04030	10.3
176.01129	3.6
177.01950	15.8
178.02449	0.9
178.99870	10.2
181.01399	1.7
184.09068	0.9
188.04672	0.9
189.05563	3.4
191.03378	1.4
193.01346	1.8
193.04945	1.0
197.06059	0.9
199.03998	6.0
201.01921	2.0
202.02293	0.8
211.02466	1.7
213.05580	1.9
217.01442	0.7
217.05052	7.7
220.99963	0.8
228.80800	1.0
231.06660	1.0
233.78259	0.8
241.05089	6.4
243.03018	1.5
257.04477	1.1
259.06122	2.9
261.88693	0.9
275.01920	0.8
275.05658	4.8
278.08960	0.9
285.04056	76.8
286.04504	6.7
295.04547	1.1
300.99902	8.5
303.05115	66.0
304.05429	4.4
313.05667	10.8
315.07129	1.3
341.05200	2.1
342.05981	1.1
416.26437	0.8
438.03232	1.0
447.09317	2.5
465.06482	25.6
466.07187	2.9
492.12354	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	465.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.5
59.01414	1.3
65.00350	0.5
67.01918	1.1
69.03497	1.7
69.21286	2.7
71.01387	8.6
72.99318	0.9
73.02979	0.9
78.09071	0.4
79.01888	2.2
81.03516	1.1
83.01424	1.3
85.02963	2.8
87.00923	0.6
93.03501	0.5
95.01396	2.8
97.02966	2.4
101.02447	2.5
105.46231	0.4
107.01404	17.2
107.05035	7.1
109.03001	0.7
110.00114	0.7
111.00892	3.1
113.02448	3.2
121.02991	0.5
123.00898	16.2
123.04540	0.6
124.01694	2.2
125.02460	76.4
126.02811	1.4
127.00383	1.1
133.02931	0.4
136.98808	1.9
137.02458	1.5
138.03265	0.5
139.00378	7.4
139.03989	0.6
140.01186	4.6
141.02014	1.8
149.02438	1.1
149.97797	0.5
151.00388	10.6
151.04024	1.4
153.01945	1.1
154.99828	0.4
161.02405	0.6
161.04561	0.4
165.01949	1.1
166.02728	0.6
166.99960	2.1
167.03490	2.0
168.00673	6.4
169.01440	100.0
170.01790	3.2
177.01942	0.4
179.03452	1.1
181.01352	0.7
191.03528	0.5
193.01488	4.2
205.01392	0.5
211.02502	6.2
212.21486	0.4
223.02472	3.0
235.02592	1.9
241.03447	1.4
253.03391	1.0
287.85748	0.4
295.04556	3.4
297.06180	4.2
300.99588	1.2
301.99597	0.6
313.05685	33.3
314.05743	1.5
421.11438	17.3
422.11737	1.9
422.17081	0.4
447.09659	2.7
465.06137	71.9
465.20026	1.4
466.06512	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	465.1043
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
57.03450	0.5
59.01381	2.2
65.12016	0.4
67.01897	1.0
68.99800	0.5
69.03471	1.9
69.10371	2.5
69.10783	0.8
70.73737	0.4
71.01024	0.7
71.01388	7.4
72.99303	0.9
73.02962	0.8
75.00903	0.5
79.01900	1.7
81.03476	0.9
81.68650	0.4
83.01402	1.3
85.02964	2.6
87.00872	0.5
89.02445	1.9
91.01912	3.4
93.03457	6.2
95.01402	1.8
97.02959	1.5
99.00919	0.6
101.02462	2.5
102.54729	0.5
107.01399	15.5
107.05058	0.5
111.00891	1.5
113.02475	1.7
119.01440	1.2
121.02971	3.9
123.00903	12.3
124.01706	1.6
125.02459	80.1
126.02783	2.4
127.00397	0.6
136.01662	0.5
136.98822	1.0
137.02467	10.1
139.00400	4.6
139.04048	1.2
140.01183	2.9
141.01942	1.9
149.02490	0.6
151.00392	10.6
151.04021	26.7
152.04413	0.8
153.01924	0.9
161.02455	0.6
161.04596	0.5
166.99844	0.5
167.03545	0.6
168.00694	4.1
169.01440	100.0
170.01778	2.9
183.03015	2.4
211.02502	2.1
233.40086	0.4
241.03491	2.2
253.03485	0.7
271.79935	0.5
313.05679	53.5
314.06003	3.1
327.07257	3.6
433.07739	1.0
465.10413	91.3
466.10861	9.6
466.24225	0.5
469.65097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.0
57.03442	4.6
57.94595	1.1
59.01376	4.5
65.00334	1.7
68.95657	2.9
68.96066	11.1
69.03445	2.0
71.01386	9.6
73.88828	1.5
81.03469	3.1
83.01373	4.6
85.02947	2.5
87.00875	1.1
89.02453	3.0
93.03476	2.7
94.19575	1.1
95.01395	4.0
95.05002	1.6
96.99733	1.2
97.02945	1.9
99.00810	1.4
101.02482	3.0
107.01412	16.9
107.05070	6.1
108.02194	1.4
109.02964	11.8
109.66535	1.2
111.00877	2.1
111.31920	1.1
113.02457	3.4
121.02919	2.9
123.00905	14.7
123.04510	4.7
124.01678	2.0
125.02462	100.0
126.02778	3.7
133.02951	2.8
136.01680	8.2
137.02504	7.5
137.03458	1.1
139.00378	4.6
139.03973	1.8
140.01131	3.9
147.04480	1.5
149.02408	7.2
151.00386	21.2
151.04028	17.7
153.01976	9.0
161.02460	2.8
163.00365	2.7
164.01178	2.2
165.02016	8.3
166.02689	4.2
166.99835	2.9
167.03520	10.6
168.00627	3.8
169.01445	84.9
170.01733	1.4
173.02400	1.2
175.04082	7.8
176.01137	3.0
177.01950	9.7
178.99883	5.1
184.92552	1.2
189.05666	1.1
191.03505	1.7
193.01419	6.9
199.03989	6.9
201.01970	1.5
211.02496	4.4
213.05600	1.5
215.03333	1.2
217.05040	4.4
229.22043	1.2
241.05293	9.0
243.03122	2.0
257.04489	1.6
259.06140	2.5
275.02014	2.7
275.05624	2.9
285.04080	57.4
286.04422	6.2
295.04767	2.5
297.06113	2.1
301.00003	8.2
303.05121	35.5
304.05414	2.3
313.05688	41.1
314.05978	2.6
329.08801	2.8
341.05179	2.0
385.85828	1.4
421.11313	8.8
434.77243	1.2
447.09781	2.1
465.06061	16.6
465.10571	24.4
465.20032	1.4
466.11032	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	465.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71255	0.9
52.86515	0.9
53.58979	0.8
57.03454	5.4
69.03452	1.3
71.28478	1.5
77.03996	0.9
81.03476	3.2
83.01408	6.0
93.03465	2.1
95.01407	1.1
95.05035	2.6
97.02959	5.8
108.02153	1.2
109.02965	23.8
109.46294	0.8
109.80138	0.8
113.06592	0.8
117.03419	1.1
121.02969	7.9
123.00892	1.7
123.04542	13.4
125.02465	33.0
127.85422	0.9
129.49557	0.8
132.02184	8.3
134.03763	10.2
135.04497	2.9
137.02451	31.4
139.04005	3.5
145.02936	6.1
146.03696	2.1
149.02444	5.8
149.03448	1.0
149.06053	4.5
150.03207	1.8
151.04005	5.9
159.04475	4.7
160.01671	29.4
160.05316	1.0
161.02432	6.6
161.06076	5.5
162.03242	4.0
162.82353	0.9
163.04106	1.3
164.01140	2.8
165.01945	41.9
166.02255	1.7
167.03497	1.6
169.01404	1.5
173.06020	1.5
174.03162	1.2
175.04016	33.9
175.07574	1.1
176.04291	1.1
177.01915	0.9
178.02594	1.1
179.03546	5.5
185.06094	1.6
187.04034	5.8
188.04800	3.8
189.02061	1.5
193.05061	8.3
199.07710	1.1
202.06345	1.6
203.07146	11.4
205.05052	7.3
217.01511	1.0
221.08197	3.8
227.07127	1.8
245.08208	14.4
247.06113	1.9
253.05092	2.1
271.06155	4.8
289.07211	100.0
290.07492	6.0
297.07672	0.9
299.09247	9.5
300.09579	1.7
301.00085	1.3
315.08835	4.4
341.06442	5.3
465.12170	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	465.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15401	0.5
59.01386	7.9
61.98822	0.6
65.00320	0.6
66.97520	0.5
67.01904	0.8
69.03483	0.8
71.01389	7.5
71.26454	0.7
72.99291	0.9
73.02946	0.7
74.02178	0.6
79.01897	1.4
83.01382	1.0
85.02973	2.2
88.98810	1.6
89.02454	5.0
89.77288	0.5
95.01396	2.2
97.02943	0.7
101.02457	4.4
101.82678	0.5
104.53561	0.6
107.01414	6.2
111.00890	1.9
113.02464	2.4
119.03534	2.1
121.72796	0.6
123.00898	15.1
124.01691	1.3
125.02460	34.0
126.02805	1.4
127.00421	0.8
131.90192	0.6
133.01405	1.0
135.04527	0.6
136.98776	1.6
137.02408	0.9
139.00415	4.3
140.01187	2.6
141.01978	1.7
149.02382	0.8
151.00369	10.8
151.04039	0.6
151.06142	3.2
153.01965	0.9
163.00508	0.7
163.03990	1.1
165.01979	0.8
166.02670	0.6
168.00668	3.9
169.01443	45.3
170.01784	2.3
171.01924	1.0
175.04037	4.0
199.04070	2.9
201.01979	1.5
211.02499	14.5
212.02742	0.6
217.05124	1.2
223.02339	0.6
241.05112	2.2
241.07419	0.6
243.02969	1.3
253.03452	0.8
271.04611	17.5
272.05099	1.4
285.04004	6.0
286.04391	0.7
303.05548	1.8
313.05682	4.0
329.09125	0.6
331.06610	0.8
463.28729	0.6
465.07083	4.2
465.12518	100.0
466.12851	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	465.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	72.7
71.01374	1.6
71.26313	2.0
98.93919	1.1
123.00918	2.2
125.02455	3.6
133.01466	1.7
137.02467	4.1
137.70874	1.1
141.01958	15.1
165.01944	41.6
169.01442	2.8
180.04294	30.6
181.04709	1.2
191.04962	1.0
195.06641	100.0
196.06979	3.3
197.60417	1.1
211.02628	1.1
243.08752	14.7
257.92108	1.2
285.04092	1.6
303.07327	5.5
325.04074	1.2
337.07999	1.2
465.06680	1.7
465.12463	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	465.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03453	0.5
57.68755	0.4
59.01381	8.1
59.91075	0.3
61.98824	1.3
65.00307	1.0
67.01905	1.8
67.56367	0.4
68.99821	0.9
69.03431	0.8
69.33097	2.8
71.01024	0.7
71.01383	6.6
72.99298	2.1
73.02937	1.2
75.00896	0.5
78.95893	1.1
79.01910	2.2
83.01429	2.2
85.02956	3.1
87.00866	0.8
89.02444	2.1
95.01404	3.4
97.02953	1.6
99.00881	0.8
101.02451	3.0
107.01397	11.1
110.00111	0.7
111.00890	5.5
113.02467	1.9
123.00898	21.5
124.01691	3.1
125.02457	44.1
126.02806	0.8
127.00392	2.1
136.98843	3.2
137.02441	0.8
139.00378	9.3
139.04013	0.9
140.01176	9.1
141.01973	2.4
149.02443	0.4
151.00378	10.0
151.11336	0.6
153.01952	0.6
154.99901	0.6
159.81436	0.4
165.01898	1.0
166.99901	0.4
167.03517	1.9
168.00650	15.1
169.01439	56.0
170.01736	1.3
177.04042	1.1
181.01407	0.5
183.03029	0.5
193.01474	0.5
202.21422	0.4
211.02487	63.2
212.02859	2.4
237.80647	0.4
241.03458	2.3
271.04608	94.1
272.04895	4.1
296.61237	0.5
296.64557	0.4
300.99622	0.5
313.05621	1.2
329.05026	0.7
331.06738	3.2
465.17670	100.0
466.18015	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	465.1771
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
59.29432	0.5
69.10211	4.3
78.95904	1.9
95.01413	0.7
98.22517	1.0
107.01376	1.3
108.48715	0.6
110.59112	0.5
113.25657	0.6
123.00890	3.1
124.01678	0.7
125.02466	5.2
137.02457	0.9
139.00369	1.1
140.01138	1.4
149.02425	0.9
150.03253	2.8
152.99623	1.8
154.02713	0.5
155.03535	1.2
161.06058	0.7
163.04034	1.0
166.02756	5.8
166.99820	1.4
167.85060	0.6
169.01454	7.9
173.06107	1.7
175.04041	8.5
178.06294	0.7
188.04826	1.8
189.05582	5.8
190.06361	18.0
193.01445	2.2
194.02161	2.2
205.05081	0.8
209.00940	13.9
210.01207	0.7
211.02647	0.5
231.13846	0.8
234.05336	0.8
259.13275	3.0
270.98499	0.6
285.03915	0.7
301.00018	2.8
303.12396	100.0
304.12759	8.0
313.05743	0.8
339.20245	0.6
400.79642	0.6
465.07092	1.4
465.17624	11.4
465.23767	1.0
466.18185	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	465.177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06379	0.3
61.98846	0.4
65.03945	0.7
69.70185	0.9
69.70611	0.5
71.01389	0.6
83.46059	0.2
93.03468	66.8
94.03799	1.6
95.01384	0.8
106.65107	0.3
107.01401	0.4
123.00903	2.1
125.02483	2.3
137.02458	100.0
138.02780	3.3
139.00397	0.5
139.11316	0.8
145.02925	0.3
166.99847	1.1
169.01428	2.8
174.33672	0.3
183.10284	1.9
187.00343	0.4
188.59430	0.3
189.02000	0.5
201.02023	0.4
216.00626	0.3
242.99338	0.4
270.98947	0.4
275.02075	0.5
298.98468	0.4
299.99042	0.3
300.99881	3.0
302.00430	0.4
376.16302	0.3
443.02881	0.3
465.17685	0.9
482.41327	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	465.1771
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
55.01871	0.8
59.01374	4.2
61.98841	3.8
65.00331	1.2
67.01888	1.3
71.01394	4.8
71.27969	1.1
72.99308	1.2
78.95909	8.3
79.01875	2.2
83.01397	1.4
85.02957	2.7
89.02445	0.9
91.42023	0.7
95.01385	3.7
97.02955	1.1
101.02447	3.4
107.01415	7.0
110.00124	1.0
111.00897	3.8
113.02507	1.8
119.05083	0.7
123.00901	19.8
125.01541	1.3
125.02460	27.6
126.02832	0.8
127.00404	1.1
136.98830	2.8
137.02432	1.6
139.00404	8.0
140.01166	6.0
141.01965	2.6
149.02509	1.1
151.00403	9.8
152.99620	3.8
153.01978	1.3
155.10806	1.6
158.11989	0.9
161.02448	1.1
166.99892	2.5
167.03543	0.8
168.00642	7.5
169.01436	34.3
170.01781	1.4
175.03957	0.8
177.04100	1.8
189.01942	0.8
189.05623	1.8
191.03484	0.8
193.01401	1.1
199.09790	0.8
211.02475	8.5
211.04318	0.9
212.02757	1.1
216.47833	0.7
219.02943	0.7
234.05270	1.5
270.98859	0.9
271.04739	4.9
275.02161	1.1
285.03912	0.8
301.00031	3.8
303.12381	12.9
313.05725	2.6
331.06461	1.4
373.21487	0.7
465.06873	2.7
465.17688	100.0
466.17807	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	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17340	0.7
55.01884	3.4
57.03463	3.6
59.01387	25.6
61.98830	1.6
65.00340	1.2
67.01884	2.2
68.99821	1.1
69.03445	2.9
69.10056	3.4
69.10472	2.3
71.01391	61.6
71.05014	1.0
72.01719	0.6
72.99289	3.0
73.02954	20.1
73.37441	0.7
75.00890	1.0
79.01897	1.4
81.03441	1.4
83.01402	7.6
85.02961	25.0
86.03270	0.6
87.00854	4.1
89.02458	21.0
93.03453	1.6
95.01396	9.7
97.02945	4.6
99.00891	9.5
101.02454	38.3
107.00727	1.2
107.01401	12.7
107.05045	1.2
107.87255	0.7
108.02232	0.7
109.02921	1.4
111.00875	2.7
113.02460	24.9
114.02757	0.7
115.03954	1.3
115.92054	1.1
116.92853	1.0
117.03453	0.8
119.03505	4.1
121.02925	1.5
123.00905	17.5
123.04476	1.6
124.01668	2.1
125.02460	64.5
126.02763	2.6
127.00385	1.0
131.03537	3.4
133.02943	1.1
136.98819	0.7
137.02438	4.8
139.00381	6.5
139.04002	4.6
140.01132	3.8
141.01938	0.9
143.03481	3.2
145.02939	1.4
149.02478	1.1
149.04529	3.6
150.03201	1.8
151.00395	7.7
151.04005	2.8
153.01942	0.7
157.29063	0.7
159.02972	4.9
159.04245	1.0
161.02385	2.1
161.04575	26.3
162.04852	0.7
165.01968	9.2
165.54207	0.8
166.99866	5.0
167.03491	2.1
168.00677	4.7
169.01442	79.8
169.86374	0.7
170.01750	2.9
173.02367	1.2
175.00407	1.0
175.03976	1.1
177.01871	1.8
178.99985	0.9
179.03464	1.9
179.05702	0.8
185.02420	0.9
187.00441	0.8
189.01965	1.2
191.03532	1.3
193.01439	3.0
195.03024	0.8
201.01958	1.7
203.03532	0.9
205.03487	1.4
207.02913	0.6
209.04556	1.0
211.02496	4.9
217.01472	1.1
223.02351	1.3
229.01453	1.8
233.06709	1.3
235.02647	1.1
242.99236	0.8
245.00824	2.2
247.02484	1.0
249.03989	0.7
257.00967	1.1
270.98840	1.0
273.00320	2.3
275.02005	2.9
277.27444	0.7
285.03958	2.4
295.04529	2.3
297.06079	2.5
298.98190	1.2
299.99210	1.9
300.99915	21.6
302.00177	4.5
303.00424	1.9
303.04941	1.0
313.05719	23.9
314.05997	1.9
333.19232	31.5
334.04810	0.7
334.19504	2.3
357.28656	0.8
377.18063	2.3
391.03384	0.8
402.11316	0.8
421.11371	0.8
438.03091	1.8
438.53836	1.1
452.03113	1.4
465.06641	62.7
465.23404	100.0
466.07022	7.2
466.23682	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	465.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.3
61.98811	2.0
65.31599	1.1
71.28900	1.7
72.53863	1.2
78.95912	8.4
95.01407	2.9
96.96037	5.4
97.08056	1.1
101.38297	1.1
107.01445	1.5
119.39286	1.2
123.00920	5.7
125.02472	12.4
139.00502	1.5
145.02995	1.5
152.99608	11.3
161.02463	2.2
166.99854	3.8
169.01430	14.5
171.00737	1.7
175.03972	1.4
177.01993	1.7
183.13953	16.1
189.01997	1.7
195.13976	12.3
213.14975	100.0
214.15349	3.7
226.01674	1.3
270.98932	1.8
285.04187	1.9
299.11786	2.7
299.99088	1.7
301.00018	8.9
312.95715	1.4
394.70541	1.5
419.21515	1.5
421.22723	1.5
435.24304	2.8
447.24908	1.5
465.06790	2.5
465.17957	1.9
465.25626	14.9
466.25732	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	466.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
69.03439	0.6
71.01386	2.8
72.42580	0.3
78.69938	0.3
79.01910	0.5
79.74170	0.3
82.96629	0.3
83.01376	0.5
85.02958	0.8
90.87250	0.3
95.01406	0.7
97.02953	0.4
101.02467	0.9
107.01398	4.8
107.74408	0.4
111.00880	0.8
113.02431	0.6
122.03749	12.9
123.00902	5.1
124.01696	0.9
125.02459	32.9
126.02805	0.8
136.98846	0.4
137.02451	0.4
139.00401	2.0
140.01208	1.0
141.01950	0.4
141.96265	0.3
148.55249	0.4
151.00401	4.2
152.03551	100.0
153.03940	2.8
165.64333	0.4
167.03468	0.6
168.00677	0.9
169.01440	42.9
170.01779	1.1
171.01097	0.3
195.02899	0.4
205.01479	0.4
211.02469	1.3
229.51788	0.4
241.03503	0.9
253.03484	0.4
271.04605	0.7
289.06952	0.4
313.05682	65.7
314.05988	4.0
360.83084	0.4
466.09952	32.4
467.10275	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	466.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89380	0.2
57.03428	0.2
59.01368	0.3
68.99826	0.2
71.01386	0.6
81.03470	0.2
83.35901	0.2
87.44278	0.2
95.95382	0.2
98.21825	0.7
101.02467	0.3
107.01404	0.6
109.02985	0.3
121.02992	0.3
122.03753	9.5
123.00922	0.9
123.04050	0.3
124.01665	0.4
125.02460	3.3
126.02806	0.7
139.04028	0.3
139.18768	0.3
140.01222	0.2
151.00403	0.3
152.03551	100.0
153.03891	3.2
161.38742	0.2
166.99892	0.2
167.03502	0.6
169.01450	3.3
170.01770	0.9
179.03447	0.3
209.04553	0.3
213.11134	0.2
224.37566	0.2
293.08255	0.3
300.99841	0.5
304.04572	0.3
313.05704	4.2
314.06024	0.9
466.06378	1.8
466.19003	0.3
467.06870	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	466.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51253	1.2
61.98823	1.2
69.03452	1.7
71.01378	1.2
72.00919	11.7
92.87729	0.9
95.01388	4.9
97.02944	1.3
100.74708	0.9
107.01396	12.1
109.94906	1.0
113.00374	1.0
117.03482	1.3
123.00900	18.0
124.01713	1.1
125.02459	42.8
126.02777	2.4
133.01385	1.5
138.03163	1.8
139.00389	2.8
141.01979	1.1
145.02988	3.5
147.04543	36.1
148.04843	1.5
149.02463	1.0
157.03006	1.6
161.02441	3.3
163.04016	2.8
164.07178	100.0
165.07535	5.3
166.99843	8.8
168.00430	1.1
169.01434	66.1
170.01772	4.1
173.02440	2.9
175.04018	1.5
185.02475	2.0
187.00441	1.3
189.01897	2.6
191.03532	3.1
195.27397	1.1
201.01947	2.2
203.03609	1.3
204.86798	1.0
207.99617	1.0
217.01364	3.7
229.01366	4.0
231.03058	2.0
239.91829	1.1
244.00058	1.4
245.00966	3.8
247.02484	3.1
248.03261	1.3
249.04092	2.6
257.01001	3.8
270.98914	2.7
273.00360	5.2
274.01126	1.5
275.02008	10.8
283.99554	1.6
286.04398	2.3
298.98468	1.5
299.99185	5.4
300.99915	61.4
302.00354	5.0
368.77863	1.1
438.03503	3.6
438.53870	1.6
452.03021	2.2
452.53229	1.5
463.05362	1.7
466.07480	2.0
466.13727	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	466.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15328	2.3
57.03462	2.9
59.01385	19.2
69.14668	21.9
70.23964	2.8
71.01388	35.0
73.02966	14.2
83.01382	9.0
85.02960	16.6
87.00864	3.0
89.02434	5.3
94.64969	2.8
95.01390	3.8
98.22484	3.7
98.42683	2.3
99.00903	4.6
101.02456	30.2
107.01421	6.3
113.02452	15.2
123.00910	12.7
125.02433	23.6
140.25539	2.6
161.04585	17.0
166.99783	4.4
169.01439	28.6
172.44098	2.4
179.77713	2.5
201.01830	2.8
217.01505	3.3
245.00932	4.3
275.01846	5.5
291.18152	100.0
291.21490	4.7
292.18475	3.9
299.98975	3.1
300.99854	23.5
366.66431	2.7
423.22427	41.3
424.22900	3.5
467.06174	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	467.0989
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
55.79359	0.8
55.98006	0.7
57.03453	13.1
59.01384	1.6
61.98834	1.3
63.51406	0.6
65.03957	0.7
67.01894	0.7
69.03453	1.4
71.01388	1.3
77.22155	0.8
81.03445	2.3
81.43446	0.7
83.01398	4.5
91.07053	0.8
93.03476	2.6
95.01413	1.9
95.05033	2.6
97.02987	1.0
105.03493	4.2
107.01414	2.5
107.04999	0.9
109.02961	13.5
111.04482	1.1
114.64447	0.9
121.02966	1.7
123.00884	5.1
123.04597	1.5
124.01651	2.3
125.02460	100.0
126.02792	3.3
133.02994	7.4
134.03781	3.9
135.04538	76.9
136.04886	4.1
137.02454	33.6
138.02786	1.0
139.00374	1.0
139.04033	6.3
140.01126	0.9
141.01891	1.0
145.02957	1.3
147.04520	2.3
149.02435	1.8
151.00342	0.9
151.04016	3.2
153.01938	1.8
155.03487	0.9
157.30914	0.8
159.04541	2.1
161.02461	47.8
162.02843	1.0
163.04005	1.9
164.01216	1.5
165.01953	6.2
166.99881	1.7
167.03514	5.7
168.95340	0.7
169.01448	16.3
170.01820	1.5
173.02553	1.0
175.04034	9.8
177.01926	4.6
177.05571	3.2
179.03517	97.7
180.03891	3.6
189.01917	6.3
191.03488	2.1
201.01964	1.2
201.05576	1.4
203.03540	14.6
204.04080	1.0
207.03040	1.1
217.01404	7.1
219.03033	1.7
219.06573	3.1
219.22906	0.8
221.04616	1.1
227.03922	0.9
229.01414	1.3
231.03053	3.2
232.03552	1.3
243.06653	1.1
247.02440	1.0
249.03943	1.5
257.00809	0.8
261.07870	1.0
261.11099	1.1
267.16135	1.4
269.04572	3.7
275.02084	4.3
279.32825	1.0
285.07712	6.3
287.05630	3.3
297.07724	0.8
300.99875	3.4
305.06714	22.1
306.07040	1.3
313.06082	1.7
315.05853	0.9
329.06708	1.6
341.06671	2.2
342.07446	1.6
357.06165	7.4
370.04279	1.4
467.09921	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	467.1198
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
51.81232	1.0
54.92978	1.1
57.03449	6.3
59.01394	2.1
64.69064	1.1
69.03468	1.9
70.57301	1.0
70.57619	2.1
71.01369	1.1
81.03485	2.6
83.01402	4.8
85.02927	1.5
85.68191	1.0
93.03482	3.1
95.01408	2.5
96.99353	1.0
97.02964	2.6
102.52837	1.2
107.01405	3.9
108.02195	3.0
109.02966	13.6
111.04494	1.6
121.02946	4.9
123.00916	10.4
123.04540	2.3
124.01685	4.5
125.02461	100.0
126.02766	4.0
131.05042	1.2
132.04576	4.6
135.04567	1.7
137.01466	2.2
137.02460	29.1
138.03223	5.0
139.04034	17.8
147.04521	1.9
149.02448	2.5
149.06042	1.5
151.04034	4.0
152.01187	4.3
153.01974	5.1
159.04546	2.5
161.02454	11.7
163.04007	1.7
164.01164	7.9
165.01956	20.8
166.02707	1.5
166.99838	1.1
167.03519	30.4
167.04926	1.9
168.03897	1.8
169.01442	19.2
170.02106	2.2
173.02356	1.5
173.06126	1.8
175.04012	3.7
177.01941	5.4
177.05544	3.8
178.02748	2.1
179.03510	16.8
191.03493	1.6
191.07172	2.4
195.02989	1.9
196.67599	1.0
203.03473	3.7
204.04285	3.8
204.13799	1.1
217.05165	1.9
219.06514	15.5
221.04605	7.0
235.02451	1.1
237.07756	1.3
243.06699	2.2
261.07715	14.3
275.02075	4.8
287.05466	3.4
300.99844	4.8
305.06686	79.7
306.07126	5.3
313.05688	3.6
315.07199	1.6
329.08630	4.9
449.11322	1.3
467.12445	48.8
468.12537	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	467.12
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
50.45848	1.4
57.03453	6.0
58.71135	1.5
59.01372	3.7
61.98844	2.7
67.01883	3.3
69.03468	3.4
71.01389	4.3
81.03478	3.6
83.01378	9.6
85.02980	2.4
87.00850	1.6
88.04537	1.4
93.03477	5.4
95.01410	4.5
95.05061	2.6
96.96042	1.6
97.02980	7.3
98.56040	1.5
102.67874	1.5
106.53213	1.5
107.01410	11.9
107.05035	7.4
108.02222	12.5
109.02964	60.8
111.00934	1.7
121.02979	12.8
122.03690	1.7
123.00885	13.4
123.04539	16.4
124.01692	3.3
125.02467	100.0
126.02825	4.0
133.02982	3.0
135.04529	4.3
137.02469	68.3
137.03528	3.5
139.00407	3.3
139.04068	5.5
145.02963	3.0
146.03780	1.7
147.04523	2.7
147.48228	1.6
149.02478	9.0
150.03226	3.5
151.00391	3.8
151.04024	56.0
152.01208	13.5
152.04416	2.8
153.01973	9.7
153.05681	3.8
159.04524	3.2
161.02470	10.9
161.06079	4.3
163.00476	1.8
163.04030	3.4
164.01199	5.4
165.01979	9.0
166.99916	2.9
167.03546	10.2
168.00674	3.3
169.01454	66.2
170.01811	4.1
173.06129	3.5
174.03226	2.3
175.04068	11.2
177.01942	79.9
177.05449	2.3
178.02284	4.7
179.03496	18.1
185.02316	1.5
187.04059	6.3
188.04803	3.5
189.01917	2.7
189.05675	2.2
191.03557	3.8
191.07204	1.9
193.98589	2.1
195.03123	2.0
201.02042	2.6
201.05576	2.9
202.59523	2.0
203.03502	4.8
203.07185	6.6
205.01418	1.9
205.05072	6.7
211.02463	2.3
215.07094	1.9
217.01491	1.9
217.05054	3.4
219.06682	2.5
221.08287	2.7
229.01448	2.9
231.03087	4.2
237.04053	1.9
243.06596	3.0
245.08290	12.4
246.01596	1.5
247.06209	2.5
249.04065	3.5
254.53343	1.5
257.00986	3.0
259.06104	13.9
273.00433	2.0
275.01950	16.1
287.05634	60.4
288.06067	3.3
289.07205	74.0
290.07516	3.2
300.99924	15.6
302.00186	1.9
305.06613	8.2
313.05756	8.1
315.07227	3.6
329.09033	8.0
338.95798	1.6
341.08798	12.8
347.07672	4.5
357.08307	4.4
370.04388	3.7
423.09521	7.1
467.08194	31.6
467.12360	19.1
468.09128	2.3
468.12405	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	467.1926
Annotation	Atticin
Peak:m/z	Relative Intensity
55.04119	0.8
59.01373	2.4
62.11621	0.8
67.01900	0.9
71.01384	3.0
72.99319	1.2
85.02975	1.7
89.02447	0.9
95.01392	2.0
101.02451	2.3
107.01405	3.3
111.00894	2.3
113.02468	1.5
123.00887	12.7
125.02457	15.5
127.00393	1.2
136.98798	2.0
139.00391	6.5
140.01175	3.1
151.00372	10.0
153.02017	1.3
168.00647	3.7
169.01440	19.4
176.04109	0.9
182.20349	0.8
211.02528	1.5
270.61310	1.0
275.01984	0.9
451.39371	0.9
467.19244	100.0
468.19699	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48554	0.3
55.01870	0.4
57.03448	0.3
59.01384	1.6
61.98828	0.3
66.25195	0.2
67.01888	0.7
69.03455	0.5
69.23553	1.9
71.01383	2.7
72.99314	0.5
73.02934	1.0
79.01904	0.8
83.01389	1.1
85.02956	2.0
87.00897	0.4
88.56410	0.3
93.03490	0.4
95.01396	2.6
97.02956	0.8
98.22427	0.4
99.00855	0.3
101.02446	2.0
107.01397	4.2
110.00100	0.4
111.00896	2.0
113.02441	0.8
123.00892	13.3
124.01663	0.7
125.02458	20.9
126.02795	0.8
127.00409	0.6
135.04558	0.3
136.98784	1.2
137.02539	0.3
138.55223	0.2
139.00404	4.6
140.01189	3.3
141.01985	1.5
145.02971	1.5
147.04468	0.5
151.00385	10.1
153.01956	0.8
161.02443	0.5
161.04642	0.4
163.03987	0.6
166.99849	0.8
168.00693	3.3
169.01436	26.1
170.01788	1.0
173.02361	0.5
175.04092	0.4
177.01947	0.2
181.04927	0.3
190.02759	0.3
191.03525	0.5
201.01952	0.6
203.03424	0.5
211.02504	0.6
215.70114	0.2
216.00565	0.3
217.01349	0.3
219.21333	0.3
223.02513	0.4
229.01338	1.5
231.02892	0.8
245.00847	0.6
247.02425	0.6
248.03165	0.4
249.03925	1.7
257.00909	0.9
273.00378	0.7
274.01126	0.4
275.01974	5.7
276.02505	0.5
289.07175	0.3
294.03961	0.5
299.99200	0.6
300.99896	4.2
301.03250	0.4
302.00302	0.6
313.05652	1.5
370.04416	1.0
446.04892	0.4
467.19226	100.0
468.19586	10.8
494.97772	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03449	3.6
59.01381	2.5
60.22026	1.0
68.98331	7.1
68.98727	3.2
69.03465	7.2
71.01389	15.1
71.05008	1.4
73.02953	4.0
83.01395	3.2
85.02953	5.4
95.01410	4.7
98.21776	1.6
99.00876	1.2
101.02453	10.8
107.01343	1.2
111.00899	1.5
113.02462	8.2
118.03181	1.0
121.03014	1.1
123.00905	52.5
123.04588	1.5
124.01679	100.0
124.87859	0.9
125.02558	6.6
137.99565	1.0
138.03232	7.9
139.00432	1.9
139.04030	72.4
139.11296	22.3
140.04324	2.4
143.03554	1.5
159.02968	1.3
159.87628	1.2
161.04567	16.5
166.24928	1.2
169.01459	6.8
183.10281	70.2
184.10664	2.6
275.01981	1.7
278.85919	1.1
283.08160	2.0
300.99924	4.4
302.00745	1.1
375.46078	1.1
482.57443	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	467.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40713	0.3
57.03446	1.1
59.01377	2.0
65.00306	0.4
65.90204	0.3
67.01901	0.9
68.99805	0.4
69.03446	1.3
70.38932	1.0
71.01384	4.1
72.99308	1.0
73.02951	0.8
75.00884	0.6
78.95914	0.8
79.01891	1.1
81.03443	0.5
83.01414	1.0
83.41942	0.3
85.02963	2.7
87.00903	0.4
89.02440	0.3
94.27473	0.3
95.01421	2.0
97.02969	2.1
99.00900	1.8
101.02470	0.7
107.01394	11.4
110.00112	0.5
111.00890	3.4
113.02434	0.6
118.05730	0.3
123.00895	12.9
124.01657	0.6
125.02456	66.8
126.02749	2.1
127.00394	0.9
129.01944	2.4
136.98819	1.5
137.02460	0.5
139.00375	5.6
140.01184	5.1
141.01917	1.4
151.00380	6.2
151.04025	0.5
152.00717	0.4
155.03540	0.9
156.03807	0.5
159.03120	0.5
161.02463	0.5
165.01898	0.4
166.99883	1.1
168.00659	3.2
169.01434	100.0
170.01784	3.3
177.04102	1.9
177.05405	0.3
189.01942	0.5
201.01952	0.8
203.03525	0.6
217.01520	0.4
219.03026	0.6
229.01398	1.0
231.03085	0.8
245.00853	0.8
247.02527	0.4
249.04039	1.5
257.01007	0.7
258.01498	0.3
273.00397	1.0
274.00955	0.5
275.01993	4.5
276.02313	0.5
294.03998	0.3
299.99219	0.4
300.99881	2.6
302.00192	0.4
313.05801	0.5
329.05139	9.6
330.05493	0.8
370.04523	1.0
402.40543	0.3
419.05774	0.3
467.19220	97.9
468.19577	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	467.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
65.00327	0.9
67.01874	1.1
69.03448	1.3
71.01387	5.8
72.99308	0.9
73.02937	0.7
79.01908	1.3
83.01397	1.4
83.13966	0.5
85.02963	1.4
87.00877	0.7
88.78828	0.6
89.02445	1.7
89.38783	0.5
91.58662	0.5
93.05067	0.5
93.91405	0.5
93.94289	0.5
95.01392	3.3
95.05114	0.5
97.02963	1.5
99.00900	0.6
101.02431	2.3
107.01388	6.5
109.02943	1.3
110.00077	0.8
111.00885	4.7
113.02505	1.2
123.00000	1.1
123.00894	19.6
124.01671	1.6
124.34119	0.5
125.02457	30.8
126.02842	0.6
127.00388	1.6
136.98785	2.5
137.02406	0.9
139.00394	8.6
140.01192	7.7
141.02003	2.3
145.02995	1.0
147.04556	0.5
149.02434	0.5
151.00375	11.4
151.04002	0.7
153.01888	0.6
154.99881	0.6
159.04478	0.6
163.00346	0.8
163.03996	0.8
166.99847	1.7
168.00648	11.1
169.01436	42.8
170.01785	1.8
173.02507	0.9
174.01640	0.5
175.03989	1.0
177.01955	0.7
177.04147	0.7
179.03467	0.7
181.01381	0.9
184.34660	0.6
185.02591	0.5
190.02679	0.6
191.03513	1.0
193.01430	1.2
193.83017	0.5
201.01868	0.9
203.03497	1.3
205.01448	0.6
211.02513	4.2
213.14885	0.6
217.01460	0.5
218.02260	0.5
229.01369	1.1
229.04979	0.6
229.08328	0.7
231.02875	1.4
245.00845	1.3
247.02399	0.6
248.03069	0.7
249.01833	0.5
249.03954	2.8
257.00894	1.7
263.12827	0.7
271.04620	0.5
273.00452	1.7
274.00967	0.8
275.01974	8.2
276.02493	0.9
284.00128	0.5
289.55832	0.7
294.03836	1.2
299.99179	1.0
300.99863	6.5
302.00131	1.0
313.05664	1.7
315.05243	1.7
370.04205	3.4
370.54562	0.8
419.06085	0.7
446.04871	0.7
467.19214	100.0
468.19528	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	467.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24109	0.4
59.01398	2.4
65.00348	0.6
67.01891	0.9
69.03467	1.0
71.01389	2.9
72.99319	1.2
73.02965	0.6
79.01916	1.3
79.99506	0.5
83.01415	1.1
85.02964	1.5
87.00883	0.6
88.66932	0.5
89.02465	0.6
95.01395	2.4
96.99359	0.5
97.02956	0.9
98.21744	1.1
99.19640	0.4
101.02467	1.8
107.01403	7.1
109.40538	0.4
110.00127	0.9
111.00913	3.0
113.02469	1.4
123.00909	16.0
124.01723	0.9
125.02467	27.3
126.02846	0.9
127.00349	1.0
133.02974	0.6
136.98839	2.0
139.00395	7.1
140.01207	5.6
141.01910	1.4
150.82164	0.5
151.00395	9.8
166.99818	0.7
168.00647	5.2
169.01445	43.0
170.01819	1.4
175.03975	0.5
180.28494	0.5
181.05145	0.6
191.03516	0.6
201.01949	1.3
203.03560	1.1
210.01225	0.4
211.02509	0.9
229.01434	1.3
231.03017	1.3
245.01015	0.9
247.02510	0.5
247.22276	0.5
249.03902	2.2
257.00946	1.0
273.00427	1.7
275.02048	5.6
294.03946	0.8
300.99954	3.5
302.00235	0.7
313.05777	1.4
370.04340	1.4
467.19263	100.0
468.19684	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	467.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.2
69.03496	5.5
71.01355	7.0
72.99313	21.5
74.47987	5.2
74.94339	4.5
75.00877	33.2
81.32339	4.8
82.48798	5.4
87.00869	6.6
96.52264	4.8
99.00908	9.1
107.01420	13.3
111.00865	5.0
111.08205	6.2
112.98829	10.1
121.49015	5.2
121.59325	4.5
123.00909	18.8
125.02452	65.9
126.48373	5.5
127.73360	4.6
133.06621	5.2
135.03015	56.2
137.40320	4.5
138.95859	5.8
141.28651	4.7
142.99878	15.9
145.03020	6.0
147.04590	9.2
161.06087	7.5
165.12845	13.6
166.99896	12.3
169.01440	100.0
170.01801	10.0
173.00996	9.1
174.01686	62.2
175.02376	8.9
175.03983	6.6
175.07678	6.3
178.06303	4.9
184.45834	4.7
189.02014	6.6
229.01497	8.4
231.02997	6.2
239.98294	6.2
244.89070	6.2
245.00874	7.4
247.02620	6.9
249.03918	6.6
257.00882	7.8
273.00510	12.2
275.01984	42.5
277.21826	25.6
293.21274	15.1
300.99924	42.2
302.00378	8.4
305.21173	38.3
327.19574	5.8
331.19183	48.7
333.20959	6.9
345.20892	29.4
349.20261	16.8
369.20657	9.5
370.04321	7.7
371.18704	31.3
389.19955	9.7
401.19669	14.4
413.19626	9.6
431.20642	8.8
449.21774	9.1
467.06058	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	468.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
60.33285	1.1
70.45242	3.6
90.18890	1.1
102.98714	1.5
106.88577	1.1
126.13875	1.0
135.88652	1.1
140.02061	1.9
184.01019	100.0
185.01152	7.0
275.99872	2.1
318.00552	2.1
319.00543	1.7
326.02179	28.8
327.02353	3.8
346.00308	1.3
360.01733	2.0
362.01617	2.2
388.01242	3.9
389.01334	2.1
404.02957	2.1
449.65472	1.4
492.19443	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	468.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81048	17.6
55.16906	16.4
59.01379	24.1
59.62961	15.7
60.13207	18.6
61.98843	18.0
67.04168	17.3
69.16399	89.3
69.16828	57.4
69.50442	16.8
71.01373	22.8
77.73665	16.3
93.26411	14.2
98.21803	30.5
123.00868	20.1
125.02477	86.3
139.07721	33.1
140.39735	14.9
169.01440	100.0
215.77737	16.7
245.11952	30.1
249.04002	18.6
263.12909	86.4
275.02078	59.3
347.49399	20.5
370.04306	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	469.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30415	1.9
59.01368	4.1
71.01379	5.0
71.07839	1.9
71.26614	3.4
85.02940	2.8
95.01447	2.9
96.96019	10.4
107.01422	16.9
111.00886	3.1
117.03407	3.6
123.00879	9.5
125.02455	76.1
126.02822	13.2
127.02892	2.7
133.02969	7.3
135.04520	2.5
139.00343	4.3
140.01164	3.8
145.02963	7.3
151.00375	5.5
161.02444	27.7
163.04015	6.0
165.01855	2.5
166.99889	2.8
168.00626	3.7
169.01436	99.9
170.01782	19.5
171.01898	5.0
173.02393	4.7
175.04016	5.4
177.01967	2.9
185.02586	3.1
189.01945	34.5
190.02437	2.2
191.03468	7.8
201.01944	3.5
203.03468	7.6
204.03777	2.9
214.68990	1.8
217.01436	31.8
219.03006	3.9
229.01381	6.2
231.02943	5.0
233.01025	3.4
245.00989	10.3
247.02402	5.1
248.03076	5.7
249.03990	14.6
250.04475	5.7
257.00967	4.9
258.01340	3.7
261.00391	45.6
262.00864	2.9
263.01907	3.3
273.00412	4.5
274.01199	2.9
275.01978	36.2
276.02359	18.9
277.02753	3.1
288.99921	100.0
290.00317	5.8
294.53940	5.4
300.99966	17.0
302.00159	8.5
303.00238	3.0
313.05505	10.0
370.04703	2.7
370.54691	10.0
371.04544	6.3
409.04236	4.0
425.01874	3.6
425.07217	27.0
426.07391	2.7
446.55087	2.6
468.54419	2.8
469.05914	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	469.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
65.00340	0.7
67.01875	0.7
70.23274	1.0
70.23652	1.5
71.01389	3.2
78.86381	0.6
79.01884	0.7
83.01400	0.8
85.02963	1.5
88.51882	0.7
95.01393	2.0
97.02978	1.1
99.00911	2.3
101.02432	0.9
107.01405	6.7
111.00904	4.5
112.81340	0.6
113.02454	1.3
118.70118	0.7
123.00902	12.6
124.01678	1.8
125.02457	33.1
126.02808	1.9
127.00385	1.1
136.98817	2.4
137.02414	0.8
139.00386	20.8
139.04068	0.9
140.01178	43.8
141.01985	9.9
151.00374	3.9
153.01938	2.7
154.02753	4.5
154.99953	0.8
155.03519	14.4
165.01990	0.8
168.00652	5.3
169.01439	37.6
170.01814	1.6
183.03076	3.5
211.02531	5.8
225.04156	1.4
241.03505	1.1
271.04663	7.2
275.02072	2.1
285.06210	1.9
297.06082	1.5
313.05667	8.7
314.05890	1.1
327.07104	1.2
331.06808	0.7
397.77750	0.7
454.08063	0.7
457.00607	0.6
469.09897	100.0
470.10178	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	469.1142
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
57.03452	5.5
59.01371	1.9
68.22854	0.7
68.96632	7.2
68.97045	1.5
69.98637	0.8
81.03467	2.9
83.01392	5.2
89.02450	1.1
93.03452	2.0
95.05041	3.0
96.96028	3.4
97.02951	5.8
97.41956	0.8
97.57761	0.9
101.02454	1.6
101.21771	0.7
107.01380	1.4
108.02202	1.2
109.02964	19.7
111.00881	1.0
121.02957	6.0
123.00896	3.4
123.04544	10.2
124.01680	1.0
125.02464	34.8
126.02821	1.7
135.04558	2.5
137.02469	23.0
138.03212	3.4
139.00381	1.9
139.04037	3.6
145.02968	7.4
146.03745	2.3
149.02469	6.0
150.03236	1.2
151.04007	6.7
153.05588	3.3
157.06561	0.9
159.04550	4.9
160.05304	1.4
161.02458	1.0
161.06075	5.4
162.03209	1.6
164.01213	2.7
165.01947	16.2
167.03479	1.8
169.01431	4.7
173.06131	1.5
175.04041	1.3
175.07713	1.7
179.03558	5.2
182.02202	2.8
185.06093	1.2
187.04027	5.6
188.04851	3.8
197.04515	4.8
201.05556	2.0
202.06439	1.8
203.03485	1.4
203.07153	10.1
205.05074	7.5
209.05995	1.1
221.04451	0.8
221.08229	3.1
227.07173	2.6
229.05016	1.3
230.02177	1.0
230.05771	1.2
231.03079	1.2
245.04480	1.4
245.08173	14.8
247.06238	1.7
253.05040	4.1
271.06113	7.0
272.06525	1.1
275.01898	1.4
289.07208	100.0
290.07645	6.7
301.07300	1.2
303.08881	2.7
319.08337	5.3
328.92258	1.1
425.12509	1.3
469.11526	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	469.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
90.55466	0.6
94.06640	3.7
98.21711	1.3
107.01392	1.0
107.03790	4.5
122.06136	37.3
123.00920	1.0
123.06470	0.8
124.07695	2.1
125.02465	4.7
134.06107	1.9
139.02757	2.9
139.03902	0.6
148.29027	0.7
152.07193	59.2
153.07527	2.1
162.05637	5.2
169.01440	6.3
170.01733	1.2
174.01978	2.7
186.01915	0.8
188.07220	5.4
201.07979	1.4
216.10307	21.4
217.10715	1.9
228.10243	0.8
249.03995	1.0
260.09793	1.1
260.12915	21.4
261.13269	1.5
275.02026	3.7
276.02350	1.9
304.11868	1.8
311.10324	1.7
339.09918	4.7
354.06488	0.8
370.54456	1.5
381.17981	0.7
425.16144	1.5
425.21490	9.0
426.21341	1.0
441.20734	1.2
469.19824	100.0
470.20154	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	469.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.3
58.00575	1.3
59.01387	27.6
61.98839	1.4
65.00333	1.2
67.01891	1.5
68.87935	0.9
68.99832	2.2
71.01386	2.9
81.03487	1.4
83.01391	7.8
85.02974	1.9
89.02482	1.6
97.02956	2.7
98.22526	3.0
101.02434	1.8
107.01408	2.4
109.02993	5.3
111.00912	1.6
113.02441	3.4
121.03000	1.2
123.00906	2.2
123.04541	1.8
123.08187	2.2
125.02461	26.6
126.02859	1.2
137.02475	1.3
139.04073	2.0
141.09196	1.1
145.02901	1.3
149.02472	3.4
149.09750	1.8
151.00360	6.6
151.11316	13.1
153.01961	49.3
154.02322	1.5
165.01958	2.5
165.09221	5.7
169.01460	6.9
177.01971	1.2
178.99832	2.1
193.01489	1.0
195.02980	1.5
203.14412	16.5
204.14853	1.5
228.77246	1.5
229.12288	1.3
247.13414	100.0
248.13770	6.3
261.14999	1.8
275.02054	1.4
289.07230	1.6
289.14429	4.9
317.06638	16.7
318.06836	1.4
425.14618	4.1
451.12518	1.1
470.12177	1.7
470.22238	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	469.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
59.01385	37.8
61.98840	1.6
68.39888	1.3
70.40878	1.5
71.01379	5.9
71.27733	1.9
73.02951	51.5
75.00872	2.4
82.95419	2.4
83.83676	1.3
85.02969	3.3
87.04517	2.4
89.02443	4.6
95.01402	1.6
97.02959	6.7
101.02450	4.9
107.46288	1.5
113.02451	10.4
119.03525	4.6
123.00904	2.2
125.02477	3.6
137.02495	1.6
161.04614	1.6
169.01413	5.7
190.09830	1.5
203.14445	5.1
243.13863	2.8
247.13406	100.0
248.13799	7.0
261.14987	6.1
289.14447	4.8
342.22311	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	470.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32326	0.9
117.03478	6.1
119.05019	2.4
121.02947	2.6
133.02946	1.2
134.70833	0.8
135.04539	2.0
145.02972	19.0
146.03278	0.9
152.79115	0.9
153.61581	0.9
161.02422	4.0
163.04033	1.5
222.66107	0.8
252.04073	0.9
254.05881	2.0
265.04913	1.2
266.05869	1.8
269.04587	15.6
270.05157	2.1
277.04956	2.4
292.06036	4.4
293.04599	2.9
303.02829	1.4
304.06122	1.6
320.05634	10.0
321.06281	2.4
332.85812	1.0
348.05161	9.0
349.05771	6.0
353.05560	1.4
379.03452	1.5
381.04926	62.1
382.05234	5.2
454.09283	6.2
455.10144	12.1
456.10999	1.2
470.12460	100.0
470.62439	2.5
471.12729	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	470.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34644	1.9
51.36431	1.6
59.01367	3.2
63.37508	1.7
71.01375	3.8
71.26588	2.8
72.99281	3.9
85.02950	10.8
96.96021	39.9
98.95602	54.4
98.96429	7.4
99.00891	2.6
99.92590	54.8
100.92641	2.8
100.93374	6.5
101.02470	3.0
102.09252	1.9
115.92086	100.0
116.92096	6.5
116.92879	14.1
119.03500	1.8
134.03784	4.2
135.04556	23.9
142.94424	5.9
150.96919	2.2
156.92358	2.7
163.02495	2.6
163.88521	1.9
169.01500	3.3
179.03476	12.7
184.95474	15.2
190.04196	2.0
191.01944	3.4
203.03600	2.1
209.03047	7.9
211.03491	6.2
215.95245	4.1
216.95908	5.1
217.01517	2.0
217.96770	9.3
218.97514	11.0
219.94754	2.9
219.97807	2.1
228.94493	6.1
243.94766	2.7
244.95502	11.5
247.02507	6.9
259.02487	2.0
261.95828	3.5
262.96561	20.0
290.95679	1.9
367.96069	2.0
390.97708	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	471.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76826	0.4
59.01373	0.9
68.99825	0.4
69.52839	1.9
71.01376	1.7
72.99311	1.2
81.03410	0.4
85.02968	0.6
86.00127	0.5
87.00838	0.5
92.61929	0.3
96.96069	0.4
97.71687	0.4
99.00915	0.9
99.92595	22.3
100.92625	1.3
100.93388	1.5
111.00906	0.8
115.92094	25.6
116.92876	100.0
117.92896	5.1
121.02970	7.7
123.00873	1.0
125.02455	3.3
126.19117	0.5
127.00402	1.1
137.02484	0.7
139.00381	0.4
141.93562	0.5
142.94441	1.5
151.00307	0.6
169.01486	2.9
169.93141	0.6
170.93924	4.7
184.95508	2.0
201.18793	0.4
212.95009	1.0
215.03368	0.4
236.94949	2.6
240.94362	0.4
256.94070	1.8
258.95596	0.7
273.94348	0.7
278.99786	0.8
310.10992	1.2
317.93033	0.4
338.61072	0.4
391.01706	0.5
409.02161	2.1
411.05093	0.7
453.01193	3.0
471.02338	9.3
471.14963	5.1
472.02570	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	471.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91861	1.5
65.26992	1.8
69.12381	8.0
69.12811	7.7
83.61420	1.7
98.44648	1.7
104.11430	1.7
127.22686	2.0
162.83968	2.3
164.83638	2.8
166.83319	14.6
193.70825	1.6
207.62122	1.8
210.33978	1.6
259.99673	2.9
297.97488	3.7
300.96313	6.3
315.98618	24.1
328.95798	10.2
343.98111	26.6
344.98285	2.8
359.00485	95.6
360.00818	10.2
374.02832	24.5
375.03067	2.2
389.05173	100.0
390.05414	9.5
442.20190	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	471.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11090	0.7
57.03451	5.1
59.01366	1.3
63.02379	1.1
63.52747	0.6
65.00313	2.1
69.35493	4.5
69.59351	0.7
70.65759	0.6
81.03466	0.8
83.01394	3.6
93.03477	1.6
97.02262	0.7
105.91981	0.6
107.01394	4.3
109.02959	2.7
117.03448	1.0
118.78914	0.6
119.05042	4.9
121.02938	1.5
123.00895	1.9
124.01675	1.2
125.02461	43.6
126.02794	1.4
137.02464	5.5
139.04007	3.4
145.02963	4.8
145.06186	0.6
147.00920	2.9
149.02487	0.6
151.00388	13.1
152.01180	1.9
153.01964	9.1
155.03546	0.8
159.04485	0.8
161.02423	2.1
163.00343	0.7
163.03983	5.0
165.01947	6.2
166.02701	1.0
167.03545	3.2
168.00659	1.5
169.01443	17.2
175.00378	16.1
176.00896	1.1
177.01874	0.7
178.99866	15.5
181.01395	1.5
185.02483	1.1
187.03960	0.8
191.03513	10.8
193.01428	100.0
194.01767	3.8
204.56288	0.7
205.05125	1.3
213.05539	0.7
215.03511	8.0
227.03433	0.8
233.04590	2.0
257.04535	5.1
287.05649	0.8
301.03540	16.6
302.03897	1.4
307.08243	1.5
319.00873	1.0
319.04636	20.4
320.04773	1.2
389.49994	0.8
471.18942	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	471.0938
Annotation	CHEBI:70256
Peak:m/z	Relative Intensity
54.42451	0.4
57.03450	7.8
59.01392	0.8
68.34801	0.3
69.03458	0.4
69.76479	1.5
71.01385	0.4
71.23431	0.3
79.01914	0.4
83.01405	1.3
89.02440	0.4
93.03471	0.5
95.01392	0.9
97.02972	1.2
104.63614	0.3
107.01405	1.6
108.02192	0.4
109.02950	0.5
111.00898	0.4
119.03462	0.4
120.02167	0.3
121.02980	1.3
123.00887	2.1
123.04523	1.8
124.01665	0.9
125.02461	100.0
126.02802	2.9
132.02296	0.4
133.02982	1.6
136.98828	0.3
137.02463	2.8
139.00429	0.6
139.04039	0.9
140.01151	0.7
149.02454	1.4
150.03239	1.1
151.00415	1.8
151.04019	4.2
153.01956	0.4
155.03546	0.4
159.04579	1.3
161.02461	18.4
162.03075	0.7
163.00320	0.5
164.01181	5.8
165.01939	4.7
166.99850	0.5
167.03532	0.7
168.00642	0.9
168.46304	0.3
169.01442	31.4
170.01813	1.4
172.58527	0.3
175.03987	0.6
177.01938	0.4
179.03482	0.5
183.04527	0.9
192.96400	0.3
197.04510	2.3
199.04095	0.7
201.05623	1.2
225.05600	2.0
227.03458	1.4
241.05199	1.2
243.06674	0.7
244.03645	0.4
245.04602	0.5
249.15202	0.3
269.04565	6.0
270.05151	0.4
287.05640	19.1
288.06064	1.3
301.07104	1.7
303.05127	4.0
304.05682	0.6
313.03470	1.7
319.08289	4.5
329.02911	0.5
407.87213	0.3
439.06577	0.4
471.08301	1.6
471.14590	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	471.0938
Annotation	Egcg3''me
Peak:m/z	Relative Intensity
50.62209	0.8
57.03455	10.5
59.01379	3.1
68.97111	1.6
68.97508	7.4
69.03470	1.4
71.01375	1.7
81.03464	1.6
83.01401	3.8
85.02965	0.8
89.02475	2.2
93.03467	1.4
95.01398	1.4
95.05040	1.8
96.96014	4.9
97.02964	1.6
101.02468	1.6
105.03487	3.7
107.01364	1.8
109.02968	3.1
111.00901	1.1
113.02433	0.9
119.04981	0.7
122.97555	0.8
123.00874	4.1
124.01688	16.0
125.02464	100.0
126.02804	2.9
133.02980	1.2
137.02443	7.4
139.00343	1.2
139.04031	7.4
146.47485	0.9
148.98842	0.7
149.02487	0.8
151.03989	1.4
157.08733	0.8
161.02470	29.1
161.75133	0.7
162.02914	1.9
164.01198	0.9
165.01952	4.7
166.02591	0.9
167.03566	3.4
168.00662	20.1
169.01451	22.9
170.01753	1.0
173.06082	0.7
175.04005	1.3
177.05603	3.0
179.03485	3.6
183.03015	49.5
184.03401	1.3
193.01443	0.9
201.05716	0.9
203.03378	1.4
219.06628	2.1
221.04338	1.1
229.01353	0.9
243.06541	1.0
269.04510	2.1
275.02234	1.0
287.05658	2.8
301.07327	0.9
305.06693	15.2
319.08194	4.2
319.13968	2.5
471.09631	2.8
471.15112	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0938
Annotation	CHEBI:70256
Peak:m/z	Relative Intensity
56.31414	1.4
57.03444	2.7
59.01379	17.0
61.52384	1.4
65.03934	1.9
67.01891	1.9
69.03456	2.4
69.25919	10.2
71.01389	3.8
73.02965	1.4
77.79688	1.2
81.03484	1.6
83.01402	2.5
83.05042	2.6
85.02991	2.0
85.88777	1.2
89.02451	1.8
90.30849	1.3
93.03460	26.7
97.02953	3.2
98.21764	2.6
101.02479	3.3
107.01396	2.3
109.02991	2.2
111.00897	2.0
111.04532	10.2
119.05054	4.4
122.03780	2.1
123.00891	4.7
123.04520	1.4
124.01688	3.1
125.02459	100.0
126.02805	3.2
127.05183	1.4
130.08704	1.6
137.02425	8.5
139.00389	3.3
140.01201	4.6
140.42999	1.3
149.02487	1.9
151.00383	1.8
151.03993	1.6
155.03543	12.3
161.02388	7.2
163.04047	2.1
165.01944	2.7
168.00665	26.6
169.01440	79.0
170.01814	4.0
201.05591	19.6
202.05942	1.6
245.04591	6.1
249.14998	26.7
250.15350	1.8
261.00314	1.3
263.16385	1.3
271.06165	2.4
287.05649	9.0
302.72571	1.3
303.05429	2.1
307.04523	2.6
331.27368	1.4
427.89096	1.5
471.09540	8.8
471.18939	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	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95352	0.9
58.00578	1.2
59.01384	17.5
67.01875	1.0
71.01385	11.8
71.50192	0.8
72.99333	1.2
83.01405	1.4
83.18439	0.7
85.02960	3.4
85.23295	0.8
89.02459	14.0
95.01417	3.3
96.96028	4.8
97.02973	1.2
101.02453	13.0
107.01404	4.6
111.00883	1.1
113.02448	5.2
119.03522	7.1
123.00902	15.0
125.02460	17.1
139.00392	5.2
139.07652	10.2
140.01155	3.1
141.01926	1.9
151.00359	7.4
153.01950	1.2
158.84366	0.8
168.00644	2.3
169.01451	17.5
170.01767	1.3
193.18977	0.9
211.02417	5.2
247.02402	1.5
271.04614	3.9
273.00287	1.1
273.23465	0.9
300.99805	1.4
319.13980	30.9
320.14258	2.2
453.14185	4.0
471.15097	100.0
472.15448	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	471.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03177	1.3
57.03449	16.3
59.01387	3.8
61.98779	0.9
69.03444	1.8
71.01382	1.3
71.05013	0.9
73.02954	1.2
80.02674	0.8
81.03460	2.9
82.64812	0.8
83.01393	9.4
89.02503	1.0
93.03466	2.7
95.05035	3.7
97.02959	2.3
108.02174	0.9
109.02955	16.5
109.06568	2.3
111.00877	3.4
114.98247	0.8
118.50396	0.8
121.02954	2.3
123.04536	4.8
125.02456	100.0
126.02818	3.0
135.04510	2.6
135.08342	0.9
137.02455	78.9
137.09714	4.2
138.02785	3.3
139.03984	1.4
145.02960	21.4
146.03688	3.5
149.02446	10.3
150.03209	1.0
151.04036	2.7
155.10791	38.4
156.11098	1.4
157.06595	0.9
159.04510	12.0
160.33682	0.8
161.02478	3.9
161.06102	11.0
162.58170	0.8
164.01196	1.1
165.01915	1.3
167.05136	1.0
179.03510	3.6
181.06551	1.3
183.04549	3.2
184.05269	1.3
185.02499	0.8
185.06093	6.8
187.04004	6.2
188.04691	1.4
199.07979	1.4
199.09758	30.2
201.05624	4.4
202.06062	0.8
203.07152	10.0
205.05042	3.0
209.06133	2.5
211.03990	2.8
213.01936	1.2
221.08087	1.0
225.05687	2.1
226.89319	1.1
227.03578	1.4
227.07130	5.2
229.05038	2.7
230.02222	1.5
245.08252	5.6
253.05086	16.1
256.03754	1.5
271.06125	48.9
272.06445	3.4
289.07193	38.6
290.07510	2.3
293.22855	0.8
321.13434	17.4
322.13702	1.7
333.13400	2.5
339.69495	0.8
397.10022	0.9
427.17599	8.8
471.16544	15.6
472.16852	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	471.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	11.4
59.01394	10.1
60.67526	1.2
61.98837	32.6
66.28001	1.3
68.98537	15.0
71.01386	4.6
78.95901	2.6
81.03471	3.1
83.01389	5.8
85.94712	1.5
89.02457	1.7
93.03486	1.6
95.05054	2.4
96.96986	2.5
97.02975	3.0
109.02972	13.8
111.00903	2.4
121.02993	2.8
123.00906	1.9
123.04575	10.7
125.02460	100.0
126.02793	4.3
133.02980	2.4
135.04549	2.1
137.02457	28.4
137.09761	1.7
139.04037	2.8
139.07666	4.1
145.02963	20.0
146.03740	3.5
149.02469	7.5
150.03282	2.3
150.39482	1.4
151.04025	8.7
153.01973	1.6
159.04538	6.3
161.02478	4.8
161.06090	9.5
164.01172	3.5
165.01930	6.4
167.03554	3.2
169.01463	14.6
175.04037	2.4
179.03566	2.7
183.04585	2.6
185.06117	3.2
187.03922	6.2
188.04794	3.0
193.01373	3.1
199.09677	1.7
201.05605	2.7
203.07196	10.6
205.05087	3.8
211.13420	2.2
221.08186	2.9
225.05573	1.6
227.07144	4.2
229.05142	2.2
236.04704	1.3
245.08195	9.2
249.14940	2.2
253.05147	8.0
255.44437	1.2
256.03870	1.7
271.06140	35.5
272.06656	1.6
273.07739	3.1
287.05618	4.3
289.07214	56.6
290.07547	3.7
303.05026	1.6
427.17731	1.7
435.13043	1.5
471.16110	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87402	0.7
59.01385	54.4
63.86875	0.6
67.57597	0.6
71.01386	4.1
71.05457	0.6
73.02920	2.5
75.00877	1.1
81.14503	0.7
83.05022	0.8
85.02948	1.5
87.04523	1.4
89.02452	2.9
93.03441	0.9
95.01404	0.9
101.02451	4.3
102.21752	0.6
113.02461	4.5
119.03518	2.7
125.02464	5.5
143.92549	0.6
161.04514	1.4
168.00665	1.6
169.01413	4.0
202.78497	0.7
209.04123	0.8
249.14977	100.0
250.15353	7.2
263.16565	2.5
276.01398	0.7
287.05692	1.0
291.16049	2.8
385.05988	0.7
411.20129	1.0
414.58917	0.7
422.32452	0.8
429.21301	0.8
471.18634	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	472.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04778	2.6
58.37764	2.1
59.01388	79.8
60.01719	2.5
61.00829	2.3
61.98823	4.9
68.99808	2.5
69.03469	3.2
69.25320	19.7
71.01392	15.3
73.02946	2.8
81.03477	3.0
83.01413	2.5
84.36294	2.5
85.02946	10.0
85.38801	2.6
89.02448	8.5
91.01904	2.3
93.03477	16.1
94.03863	2.6
95.01391	14.1
97.02946	4.9
98.22154	10.7
99.00860	4.6
101.02448	6.8
107.01401	17.5
109.02936	3.0
111.00886	3.8
111.04501	3.5
113.02473	11.4
117.03442	2.9
119.03497	5.1
119.05061	3.4
120.48460	2.7
122.03699	2.8
123.00893	24.6
124.01640	4.7
125.02462	93.5
126.02774	11.7
132.02159	2.9
133.02945	17.9
134.03638	2.6
135.04543	45.7
136.04778	3.1
137.02431	7.5
139.00374	7.0
145.02919	8.8
147.04547	5.5
151.00424	3.0
155.03516	6.0
159.04543	2.9
161.02470	43.7
161.04507	5.1
162.02835	2.6
163.00385	4.5
163.04053	6.7
166.99918	13.5
168.00681	15.1
169.01445	98.1
170.01794	15.2
171.00858	5.5
173.02473	6.5
175.04074	4.6
177.96367	2.7
179.03485	29.3
185.02470	6.1
189.01906	7.6
191.01941	3.0
191.03500	6.4
199.00356	3.7
201.01938	9.0
201.05659	4.2
202.05893	6.5
202.59827	2.5
203.03529	6.7
214.99983	3.2
216.00604	2.7
217.01392	8.0
219.02985	4.2
226.99936	4.3
229.01459	16.3
230.02080	4.1
231.03044	6.1
231.87396	2.7
245.00945	9.4
245.04697	4.2
246.04958	4.1
247.02499	8.2
249.14969	80.4
250.15309	37.8
257.01016	6.8
261.00327	3.1
264.26050	2.7
270.98703	6.1
273.00357	9.5
274.01053	4.5
275.01996	23.6
283.99509	4.7
284.02890	2.6
291.01456	3.2
298.98468	6.7
299.99060	6.7
300.99905	100.0
302.00238	12.3
382.02505	2.9
391.03055	47.6
391.53143	10.0
413.21652	4.9
425.01721	3.5
436.05136	3.6
444.05130	3.1
458.04541	3.5
463.04263	6.6
472.04361	7.4
472.10233	5.3
472.54861	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	472.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90929	0.6
57.30612	0.5
59.01392	1.4
61.98837	100.0
71.26839	0.9
78.88764	0.6
90.41428	0.6
125.02477	0.9
139.41148	0.7
151.13541	0.6
161.46654	0.6
168.62828	0.6
211.47777	0.6
241.01495	1.4
251.16612	1.0
261.37698	0.7
344.17261	0.6
472.18625	1.0
473.07358	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	473.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03048	0.4
50.46911	0.4
57.01885	0.4
57.03445	1.4
59.01363	1.0
61.70281	0.4
65.00315	1.7
67.01885	1.3
68.99813	1.0
69.03442	0.7
71.01369	1.1
71.26830	0.5
78.95889	0.5
79.01905	0.9
81.03460	1.3
83.01396	2.9
83.05038	0.7
85.02964	0.9
87.92544	2.1
88.98836	0.7
93.03465	1.5
94.87297	0.4
95.01390	3.7
95.05054	0.7
97.02952	1.2
103.92027	2.4
104.92796	2.0
107.01405	2.4
107.02030	0.5
109.02977	2.1
111.00928	1.0
111.04562	0.9
116.71603	0.4
121.02973	3.8
123.00899	22.5
123.04531	1.6
124.01688	11.4
125.02460	33.8
126.02760	1.0
130.94402	0.4
137.02472	1.9
138.03227	0.7
139.00398	1.4
139.04027	14.9
140.04308	0.7
141.01967	0.6
147.50801	0.4
149.02451	6.6
151.00389	10.8
151.04007	1.3
151.95644	0.7
152.00987	0.6
153.01952	32.1
154.02269	0.8
165.01933	3.3
166.02730	9.0
167.03510	100.0
168.03822	3.1
169.01440	43.5
170.01799	1.3
171.94728	0.9
175.03978	0.6
177.01930	5.9
180.95985	1.1
182.97583	1.1
183.03069	0.9
189.05696	0.5
191.01840	0.5
193.01437	1.5
195.02988	2.0
196.95465	1.1
200.98599	2.2
210.93379	0.9
211.94106	0.8
219.39761	0.5
224.94965	0.9
234.31622	0.4
235.13509	0.5
237.95700	3.3
240.94495	1.4
257.94556	0.5
258.80386	0.5
261.71289	0.4
265.95126	0.6
273.04092	1.7
281.94644	0.7
292.40427	0.6
303.05191	2.9
319.04617	64.3
320.04889	4.6
321.06064	0.9
325.97247	0.6
347.04086	0.6
357.99854	0.5
381.96368	0.8
401.99255	0.5
448.69751	0.5
473.07333	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	473.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31230	0.7
57.03440	1.8
63.76294	0.6
65.00322	1.5
67.01859	1.1
69.03454	0.9
69.47231	2.7
69.47654	1.9
73.93548	0.7
76.82057	0.7
81.03456	2.0
83.01411	3.6
83.01791	0.6
90.55558	0.7
91.80357	0.8
93.03468	2.1
95.01399	3.4
95.05048	1.0
96.92790	0.7
97.02952	1.1
98.22642	0.8
107.01429	0.9
109.02940	2.0
121.02953	3.8
123.00894	20.8
123.04498	1.0
124.01683	10.6
124.11617	0.7
125.02451	33.2
137.02464	2.0
138.03256	0.9
139.00418	0.9
139.04018	12.6
140.04422	0.9
149.02457	5.7
151.00392	10.2
151.04028	1.9
153.00700	1.7
153.01950	32.7
154.02168	0.9
165.01945	3.3
166.02727	9.8
167.03503	100.0
168.03830	3.8
169.01434	46.9
170.01781	1.6
177.01947	5.7
183.03099	1.0
193.01469	1.4
195.03023	2.6
273.04013	1.6
275.53467	0.7
301.03308	0.8
303.05209	2.7
319.04599	68.0
320.04996	5.9
344.40314	0.7
431.94034	0.7
444.64911	0.8
473.07202	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85696	0.5
58.00596	1.0
59.01384	24.9
61.62572	0.5
66.01216	0.6
67.01878	1.1
68.22599	0.5
68.30312	0.5
70.82572	0.6
70.82886	1.1
71.01386	12.6
72.99299	1.9
73.02945	0.9
79.01897	1.2
83.01377	1.5
85.02943	2.4
87.00873	0.8
89.02453	16.2
95.01395	2.5
101.02462	12.8
107.01409	3.9
111.00876	1.7
113.02457	4.9
113.09740	1.0
115.24647	0.6
119.03509	6.8
123.00897	12.5
124.01655	1.8
125.02460	15.0
127.00383	1.2
136.98827	0.7
139.00403	4.1
139.03932	0.5
140.01193	3.2
140.02100	0.5
141.01927	1.8
141.09201	1.8
150.99371	0.7
151.00403	8.0
159.10260	2.3
161.04623	0.7
165.01945	0.6
168.00641	3.7
169.01433	18.3
170.01842	0.8
172.04082	0.8
190.05186	1.1
211.02483	11.0
250.15649	1.0
251.16541	3.0
271.04611	12.4
272.04861	0.8
321.15564	16.7
322.15854	1.2
331.06833	1.1
455.15533	6.9
456.16025	0.9
473.16672	100.0
474.16995	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	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.9
61.12493	0.8
71.01366	3.4
72.33957	0.9
78.58861	0.9
85.02942	1.1
89.02463	2.3
90.60876	0.8
94.64671	0.8
95.01397	1.2
98.22629	1.8
99.23177	0.8
101.02454	3.0
107.01370	1.4
113.02448	1.7
119.03528	1.6
122.03757	17.9
122.04623	1.2
123.00886	3.2
123.04001	0.9
125.02451	5.1
128.53461	1.1
134.03728	2.1
137.02470	0.8
141.93542	0.8
143.74988	0.9
149.06094	16.1
150.06441	1.2
151.00368	1.5
161.02483	0.9
161.04553	3.0
164.04779	1.3
166.99838	1.3
169.01463	7.7
172.01588	1.1
177.09236	2.3
190.56444	0.8
196.53334	0.8
218.04610	0.8
229.01500	1.0
229.14485	0.9
235.13362	1.3
236.14081	1.5
239.79832	0.8
250.15749	44.2
251.16528	100.0
252.16943	6.6
262.21503	0.9
298.98425	1.4
300.99866	3.0
321.15640	2.4
403.58121	0.8
473.16800	11.7
473.27551	1.3
474.16779	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	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36009	1.3
59.01385	100.0
59.14851	1.2
61.98834	4.3
69.39726	2.7
69.40137	6.1
71.01384	3.9
74.05849	1.2
78.95923	1.7
89.02445	2.4
98.22467	3.0
101.02443	3.5
113.02481	3.7
116.87775	1.2
119.03491	1.5
121.20976	1.2
123.00876	1.7
125.02443	2.4
126.31129	1.8
129.93254	1.3
150.24229	1.5
161.04532	2.6
162.05637	10.1
163.05984	3.8
169.01440	2.1
193.05153	2.0
206.04604	6.5
207.04938	6.3
225.11238	1.6
227.03412	3.0
227.73407	1.3
241.01447	5.6
245.00949	3.6
251.16544	94.6
252.16901	4.8
255.02969	2.4
270.01651	4.4
271.02451	4.0
284.03308	3.4
285.03961	1.5
293.17560	1.5
298.01117	2.2
299.02017	2.9
317.67300	1.3
413.21457	1.7
473.06958	4.2
473.19467	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	473.9739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.5
65.00298	4.2
71.01400	16.5
71.27062	5.6
71.81318	3.2
73.94135	3.0
83.01366	3.8
87.92535	32.6
89.02428	5.8
89.55210	2.9
94.46700	3.6
95.01387	15.2
101.02440	3.9
103.92045	54.0
104.92795	36.9
108.02161	5.7
110.00105	13.2
111.00873	7.0
114.94889	3.7
123.00884	29.0
124.01637	13.4
125.02440	14.8
128.03496	3.7
130.94385	5.9
135.79959	3.2
137.99571	4.0
139.00345	9.3
139.03995	5.5
139.95673	14.5
151.00352	13.6
151.95689	16.3
152.01221	5.0
153.01915	11.1
155.95139	10.4
166.99828	12.4
167.03499	24.4
168.03830	12.3
169.01428	17.4
171.94673	24.0
178.94612	3.6
179.95181	7.5
180.95914	26.7
182.93874	16.9
182.97540	14.7
195.94579	6.1
196.95396	25.2
197.96196	5.6
198.93393	6.3
199.94138	6.0
200.98642	30.5
201.92212	3.6
210.93372	21.5
211.94058	10.6
222.93272	3.5
223.94052	7.7
224.95020	19.7
226.92755	8.3
229.98882	4.2
235.94072	4.9
237.95712	100.0
238.96159	6.1
239.93614	11.8
240.94403	31.3
241.94678	3.6
249.97809	4.6
252.94366	5.8
253.95178	5.3
254.92349	7.5
257.94617	9.0
265.95151	12.6
266.95978	3.6
279.93433	4.6
279.96729	13.2
281.94641	17.7
281.98172	9.6
282.95016	5.3
293.94778	5.5
294.95453	15.1
295.95981	4.4
307.96286	4.0
319.04556	12.5
320.04996	13.4
322.09384	3.4
323.95425	4.4
325.97244	10.9
337.97137	4.1
357.99921	10.8
381.96039	15.5
383.98358	9.5
399.97375	4.6
401.99170	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	474.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99407	1.4
61.98835	39.8
67.46082	1.3
70.15682	4.1
70.16098	2.6
94.18738	1.5
111.48839	1.7
116.17638	1.3
189.73637	1.4
259.99664	1.8
272.96951	2.2
274.98404	1.9
276.87701	1.4
297.97665	3.1
300.96283	8.3
300.99448	1.4
315.98645	22.4
328.95673	9.7
343.98108	28.4
344.98569	2.4
359.00485	100.0
360.00836	8.3
374.02759	19.0
375.03046	2.2
389.05167	97.2
390.05557	9.9
474.03094	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	474.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95156	0.4
59.01362	1.4
69.15116	2.3
69.15539	1.0
71.01385	0.8
83.17222	0.4
91.15714	0.4
98.22546	0.9
107.78356	0.5
119.05024	0.5
124.01691	0.7
125.02463	1.3
133.05351	1.5
134.03743	3.7
135.04539	13.3
135.05540	0.9
136.04922	0.5
147.04541	2.0
148.05321	42.2
149.06099	3.1
150.03209	0.5
151.96512	0.5
155.03506	0.3
161.02403	0.9
169.01428	1.6
175.03987	0.5
176.03531	4.3
177.04323	1.8
178.05110	27.0
179.05409	0.8
190.05119	9.5
191.05667	0.5
192.06598	0.5
253.08719	1.3
296.09390	0.9
297.10101	11.0
298.10703	1.4
299.99097	2.0
300.99786	0.9
312.12451	100.0
313.12790	9.2
313.16443	0.4
352.74658	0.5
414.89597	0.5
474.17661	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	474.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88322	0.9
53.38863	1.0
59.01374	1.0
64.53648	1.0
64.59571	0.9
65.16517	0.9
71.01382	1.0
77.49401	0.9
98.21783	3.2
99.89043	0.9
101.41105	0.9
102.09274	1.0
125.02489	1.3
133.05325	2.1
134.02586	0.9
134.03741	3.2
135.04546	13.9
147.04546	2.3
148.05319	46.7
149.05721	1.5
162.93263	0.9
176.03542	3.3
177.04294	2.8
178.05113	28.5
179.05504	1.3
190.05110	10.4
252.82643	1.0
253.08676	2.2
280.09631	1.2
297.10147	11.3
312.12451	100.0
313.12759	9.6
425.58588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12704	0.2
59.01383	1.0
78.95912	7.4
79.34565	0.2
83.05020	0.2
88.97012	0.2
98.21985	1.3
139.33134	0.2
140.01204	2.6
152.99591	0.8
169.01375	0.3
196.03825	1.5
214.04893	3.2
228.76732	0.2
233.22870	0.5
259.20807	0.5
275.20264	0.3
277.21735	100.0
278.22073	8.2
300.99756	0.3
474.26273	6.7
475.26666	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	474.263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73328	0.6
59.01371	1.6
61.98823	0.6
70.38670	0.7
70.54803	1.2
70.55133	0.7
78.95912	29.9
86.95641	0.5
90.69469	0.6
122.00126	0.7
125.02489	0.8
140.01212	7.8
152.99620	1.8
169.01480	1.2
193.90057	0.6
196.03821	12.4
196.82289	0.6
200.12251	0.6
200.90285	0.6
214.04906	2.3
277.21756	100.0
278.22086	8.0
299.99261	0.8
301.00046	1.1
307.73209	0.7
474.26312	23.3
475.26758	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	475.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47470	0.4
68.96046	3.6
97.98212	0.3
107.01486	0.4
109.03056	0.4
113.14237	0.3
132.02261	0.6
137.02492	0.4
151.00406	1.1
160.01759	1.0
163.00485	0.5
172.01741	1.2
178.99951	0.7
184.43173	0.4
188.01208	1.1
200.01169	2.2
201.02144	0.5
216.00665	3.0
226.99933	0.6
228.00694	0.8
229.01389	0.6
242.99411	1.5
243.03033	0.9
244.00105	3.0
255.02997	2.4
257.00937	0.4
270.98972	1.0
271.02539	4.3
271.99597	1.0
282.98917	0.5
283.99725	0.5
298.98352	1.0
299.99170	100.0
300.02719	5.8
300.99918	28.4
301.03561	4.8
302.00262	1.4
302.03705	0.5
459.04047	0.4
475.05103	36.0
476.05484	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	475.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	1.9
65.00312	1.6
68.40299	0.9
69.25509	2.4
69.25921	5.2
76.77127	1.1
83.01395	2.2
99.38017	1.0
107.01411	3.1
108.02186	1.3
109.02959	3.9
119.39088	1.0
121.02942	4.0
135.00848	1.2
148.01680	2.7
149.02501	1.1
151.00397	14.4
159.04477	0.9
163.00395	4.1
178.99878	6.2
187.04054	1.2
190.99850	1.1
199.04037	2.1
201.05527	1.1
203.08191	1.0
216.04228	0.9
227.03502	3.9
229.04984	1.3
243.02989	13.5
245.04501	2.3
254.02144	2.3
255.03004	29.8
256.03333	1.9
271.02499	56.6
272.02884	4.8
283.02463	1.5
299.02063	2.1
300.02786	100.0
301.03534	90.2
301.07196	1.7
302.03772	5.1
415.07092	1.7
433.07846	5.4
475.08844	49.0
476.09375	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	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14718	0.2
50.31429	0.2
63.02376	0.3
63.94618	0.2
65.00323	1.0
68.98322	2.6
83.01402	0.8
88.35596	0.2
91.43290	0.2
97.45547	0.2
98.22501	0.6
107.01401	1.9
108.02160	1.5
109.02976	0.9
118.96638	0.3
121.02961	0.8
124.03513	0.2
125.02416	0.3
135.00909	0.8
141.57863	0.2
145.03041	0.2
148.01694	1.5
151.00391	6.5
159.04533	0.3
163.00377	1.3
164.01163	0.7
169.01550	0.4
173.24286	0.2
178.99879	3.6
183.04553	0.4
185.51466	0.3
187.04001	0.5
190.99889	0.3
192.00682	0.3
198.03094	0.3
199.03992	1.2
201.01939	0.3
203.03496	0.5
211.03981	1.4
215.03488	0.9
216.04169	0.5
221.89751	0.2
226.02666	1.2
227.03523	3.1
228.04068	0.3
229.05066	0.5
243.02989	11.1
244.03479	0.5
245.04521	1.0
254.02191	2.3
255.03003	24.8
256.03384	1.5
271.02499	55.6
272.02942	4.8
273.03900	0.5
283.02551	0.6
299.01904	1.3
300.02765	100.0
301.03430	23.3
302.03912	0.7
313.03384	0.3
343.04568	0.7
433.07852	0.6
457.07889	0.5
475.08847	36.6
476.09155	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
71.01387	12.3
71.30230	1.6
77.59486	0.6
95.01389	2.2
107.01407	0.9
115.00385	6.6
123.00901	22.3
125.02436	3.9
137.02441	1.6
138.03250	34.6
153.05571	10.5
166.99892	12.1
169.01498	4.1
182.02235	37.5
183.02599	1.1
192.03056	2.1
193.03313	1.4
197.04575	100.0
198.04980	4.7
211.02554	1.1
251.14714	0.7
300.99936	2.4
313.09216	1.5
359.09879	17.9
360.10199	1.3
457.09778	1.5
475.09967	0.9
492.17419	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	475.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04344	2.5
69.04771	2.9
71.01387	11.2
73.02917	0.5
95.01389	2.0
104.92001	0.6
115.00389	6.8
123.00893	20.3
125.99640	0.5
137.13774	0.5
138.03238	31.4
139.03590	1.0
153.05586	13.3
164.98662	0.6
166.99873	9.9
175.34778	0.6
182.02229	37.0
183.02521	1.3
195.57028	0.5
197.04559	100.0
198.03249	0.8
198.04897	4.8
229.38588	0.6
259.22235	0.7
359.09842	18.3
360.10068	1.4
376.58279	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	475.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83513	0.8
54.45473	0.7
57.47968	0.8
59.01367	1.4
61.98834	2.1
70.49128	2.3
71.01392	13.4
72.99303	0.8
88.98813	1.2
89.02475	1.1
95.01420	1.4
108.96211	0.8
111.00891	1.5
115.00403	7.4
123.00900	19.5
125.02419	0.9
132.94658	1.3
133.01450	1.6
138.03256	31.8
139.03664	1.3
141.90953	0.7
153.05589	11.1
166.99876	12.1
169.01511	1.2
182.02234	31.6
183.02530	1.4
191.02025	0.9
197.04575	100.0
198.04929	4.7
239.05836	1.3
341.11111	1.9
359.05692	1.4
359.09912	17.4
360.10416	1.2
377.08459	1.0
420.79758	0.8
429.63034	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	475.1249
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
60.43671	0.4
65.00338	0.5
72.45457	0.6
89.63609	0.4
97.02927	0.4
110.00119	0.8
123.00932	0.8
125.02432	2.3
133.02959	0.5
141.03503	0.5
145.02969	0.7
154.04242	1.4
161.02538	0.5
165.01935	2.8
169.01468	2.6
182.03856	0.4
183.04533	0.6
186.94205	0.4
193.05061	1.1
193.43198	0.5
198.03195	4.4
211.03987	1.6
226.02731	15.8
227.03387	2.9
239.03548	0.7
241.05063	5.3
248.88710	0.4
253.01480	0.5
254.02222	27.5
255.02975	22.8
256.03329	1.2
269.04572	68.5
270.05206	11.7
271.05685	0.5
282.01794	0.8
283.02484	3.4
297.04056	38.0
298.04770	21.6
299.05319	1.1
301.00024	1.9
313.07202	100.0
314.07544	9.0
314.10889	0.9
355.08167	0.5
394.21872	0.4
417.08234	1.5
460.10086	7.8
461.10373	0.9
475.12299	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	475.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03473	0.7
58.00582	1.7
59.01385	26.7
61.98825	2.6
62.22789	0.7
67.86647	0.6
68.14417	0.5
71.01390	13.7
71.37703	0.6
72.99321	1.7
73.02963	0.8
78.90580	0.7
83.01399	1.4
85.02958	5.6
87.00901	1.2
89.02457	12.6
89.97542	0.6
95.01411	2.2
99.00909	0.7
101.02456	7.8
107.01412	2.1
113.02460	4.8
119.03557	3.1
121.02982	0.8
125.02464	3.2
148.01796	0.9
151.00371	3.7
163.00356	0.7
169.01443	6.5
169.12381	0.8
178.99904	1.5
186.53342	0.6
203.08583	0.7
227.03580	1.1
243.03000	2.7
245.00995	0.9
245.04402	1.1
247.02441	0.9
254.02087	0.7
255.03032	6.0
256.03452	1.3
271.02496	13.2
272.02905	2.3
295.22824	10.1
296.23428	0.9
297.24258	3.9
299.99197	2.9
300.02737	22.8
300.99899	3.1
301.03433	17.7
302.03912	2.2
313.23865	8.3
433.07788	1.0
442.43875	0.7
475.09268	9.1
475.29153	100.0
476.09073	1.1
476.29462	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	476.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
65.00308	0.5
67.44966	0.4
68.99825	0.4
69.03445	1.0
71.01370	0.7
71.26519	0.4
71.26949	0.6
75.98258	0.4
89.02425	0.9
91.05500	0.5
95.01401	1.1
95.05042	0.4
97.02952	0.7
101.02462	0.6
107.01395	6.4
107.05038	1.5
108.01630	0.5
117.03466	0.4
119.05040	3.7
121.02953	0.6
122.03783	2.4
123.00889	3.3
123.04526	2.8
125.02460	19.5
126.02769	1.5
133.02982	3.2
134.03741	0.6
135.04541	51.4
136.04904	2.2
137.02460	2.0
139.00406	0.8
147.04564	0.7
148.05263	1.2
149.02408	0.7
150.03250	0.4
150.05595	1.4
151.00414	0.6
151.04045	2.1
152.07185	26.4
153.07503	1.2
154.02641	0.5
159.04506	0.6
161.02461	25.4
162.02774	1.1
163.00310	0.4
163.04044	2.6
166.99867	0.9
168.00603	0.8
169.01443	27.4
170.01834	2.5
173.02451	0.7
175.04031	1.6
178.05092	8.5
179.05426	0.7
180.06664	1.2
190.05148	0.7
191.03520	1.0
192.06606	1.5
193.01398	0.7
201.01993	1.3
203.03514	2.3
205.01353	0.6
205.05112	0.5
211.02478	1.6
213.28874	0.4
217.01451	1.0
219.02869	0.9
222.04832	0.5
229.01404	1.2
231.02963	0.8
232.03152	0.5
237.00488	0.7
242.99289	0.6
245.00862	1.5
247.02428	3.1
248.02957	0.7
249.04080	0.9
258.01730	0.6
270.98889	5.1
271.04523	1.2
273.00375	1.5
274.00961	0.7
275.01968	2.9
276.02164	0.7
283.99689	1.0
285.00482	1.5
291.01123	0.9
298.98413	7.4
299.99231	2.0
300.99908	12.9
302.00204	3.2
303.00592	0.7
312.99860	1.8
313.05685	2.0
314.00717	6.9
314.10358	100.0
315.01550	0.8
315.10709	7.8
323.13513	0.7
324.13779	1.4
453.03989	0.8
453.53979	1.4
454.04819	0.7
462.04285	1.8
462.54779	0.6
476.04187	0.7
476.15433	6.4
477.06857	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	476.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
65.00308	0.5
67.44966	0.4
68.99825	0.4
69.03445	1.0
71.01370	0.7
71.26519	0.4
71.26949	0.6
75.98258	0.4
89.02425	0.9
91.05500	0.5
95.01401	1.1
95.05042	0.4
97.02952	0.7
101.02462	0.6
107.01395	6.4
107.05038	1.5
108.01630	0.5
117.03466	0.4
119.05040	3.7
121.02953	0.6
122.03783	2.4
123.00889	3.3
123.04526	2.8
125.02460	19.5
126.02769	1.5
133.02982	3.2
134.03741	0.6
135.04541	51.4
136.04904	2.2
137.02460	2.0
139.00406	0.8
147.04564	0.7
148.05263	1.2
149.02408	0.7
150.03250	0.4
150.05595	1.4
151.00414	0.6
151.04045	2.1
152.07185	26.4
153.07503	1.2
154.02641	0.5
159.04506	0.6
161.02461	25.4
162.02774	1.1
163.00310	0.4
163.04044	2.6
166.99867	0.9
168.00603	0.8
169.01443	27.4
170.01834	2.5
173.02451	0.7
175.04031	1.6
178.05092	8.5
179.05426	0.7
180.06664	1.2
190.05148	0.7
191.03520	1.0
192.06606	1.5
193.01398	0.7
201.01993	1.3
203.03514	2.3
205.01353	0.6
205.05112	0.5
211.02478	1.6
213.28874	0.4
217.01451	1.0
219.02869	0.9
222.04832	0.5
229.01404	1.2
231.02963	0.8
232.03152	0.5
237.00488	0.7
242.99289	0.6
245.00862	1.5
247.02428	3.1
248.02957	0.7
249.04080	0.9
258.01730	0.6
270.98889	5.1
271.04523	1.2
273.00375	1.5
274.00961	0.7
275.01968	2.9
276.02164	0.7
283.99689	1.0
285.00482	1.5
291.01123	0.9
298.98413	7.4
299.99231	2.0
300.99908	12.9
302.00204	3.2
303.00592	0.7
312.99860	1.8
313.05685	2.0
314.00717	6.9
314.10358	100.0
315.01550	0.8
315.10709	7.8
323.13513	0.7
324.13779	1.4
453.03989	0.8
453.53979	1.4
454.04819	0.7
462.04285	1.8
462.54779	0.6
476.04187	0.7
476.15433	6.4
477.06857	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	476.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	4.0
69.23988	1.9
69.24236	19.9
76.28800	2.4
90.38142	2.4
91.05537	4.4
107.05070	12.4
117.03477	7.2
119.05061	4.0
121.02898	2.6
133.02997	20.2
134.03796	5.4
135.04549	79.8
145.02983	14.6
146.03764	21.5
147.04478	9.0
148.05328	31.1
149.05917	3.8
153.20975	2.3
160.04071	6.5
161.02461	12.3
161.06110	6.3
163.04007	2.9
164.04854	15.3
169.01424	5.9
176.03557	32.2
178.05112	19.4
179.07149	28.8
180.95067	2.2
185.46693	2.4
190.05075	11.1
202.05267	2.2
222.31427	2.4
240.63075	2.6
255.02959	2.8
271.02463	9.7
272.02798	5.1
296.09335	100.0
297.09836	21.1
298.10876	25.3
300.02759	29.7
301.03281	9.4
302.03970	5.4
312.12308	4.2
313.10779	4.1
315.05170	23.2
477.10544	4.2
488.38553	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	476.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04222	0.2
52.96144	0.2
53.20997	0.2
53.69269	0.2
59.01387	1.4
61.98837	100.0
71.01401	0.9
71.27838	0.2
73.02989	0.2
75.18525	0.2
85.02977	0.3
87.00900	0.3
89.02467	0.5
101.02464	0.5
107.01414	0.3
113.02467	0.4
120.04582	0.5
125.02456	1.0
127.07648	0.3
132.04549	0.4
135.71420	0.2
137.06143	0.2
139.11336	0.4
144.04648	0.2
145.56006	0.2
146.02512	0.7
147.03293	0.9
148.04065	2.8
158.06221	0.2
160.04048	1.8
161.04610	0.2
169.01453	1.4
170.01813	0.2
172.04138	0.2
174.05746	0.2
183.10277	1.3
214.05165	0.3
225.11386	0.3
244.03566	0.2
271.02603	0.2
272.02975	0.4
275.02075	0.2
291.11276	0.2
292.08380	0.3
299.99423	0.3
300.02634	0.4
300.99924	1.0
301.03412	1.1
302.00467	0.2
302.03931	0.6
313.05972	0.3
476.09525	0.6
476.19315	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	476.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94012	0.2
59.01388	0.7
61.98835	100.0
69.24197	0.9
69.24632	0.8
71.01392	0.4
74.71875	0.2
101.02444	0.3
113.02470	0.3
123.00895	0.2
125.02451	1.2
161.04559	0.3
169.01414	1.1
170.01888	0.2
171.06978	0.2
171.97327	0.2
220.88512	0.2
247.02457	0.3
272.02985	0.4
300.02798	0.5
300.99884	0.6
301.03448	1.0
302.00543	0.3
302.03958	0.5
349.48401	0.2
379.25748	0.3
400.81082	0.2
476.09546	0.4
477.07523	0.3
481.04089	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	476.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
61.98842	0.3
70.96527	0.5
78.95909	6.4
86.09805	0.2
93.52473	0.2
94.73583	0.2
106.06670	0.2
116.54514	0.3
125.02430	0.2
136.69283	0.2
140.01202	2.5
144.04497	0.3
145.02979	0.4
145.40198	0.2
148.84535	0.2
152.99571	0.6
160.84180	0.3
169.01456	0.4
196.03813	1.1
214.04874	2.9
230.38719	0.3
261.22159	0.4
279.23309	100.0
280.23660	8.4
300.02887	0.4
301.92685	0.3
313.31567	0.3
476.27832	5.4
477.06546	0.4
477.28085	0.5
498.94519	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	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74052	0.5
69.22881	3.6
78.95911	37.3
96.96956	1.5
99.99477	0.5
108.13731	0.5
122.00137	0.7
127.08389	0.6
140.01183	5.5
152.99599	3.4
171.00690	2.1
196.03827	9.5
209.26407	0.6
214.04874	2.4
279.23309	100.0
280.23648	6.6
283.37244	0.7
301.03510	0.7
476.27869	33.5
477.28348	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	477.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
79.62576	1.1
171.13165	1.3
242.99461	1.3
243.61859	1.0
244.00128	1.5
270.98865	20.8
271.99368	1.5
298.98373	25.8
299.99146	100.0
300.99582	7.1
313.00024	1.6
314.00693	17.6
314.04080	1.6
315.01505	93.9
316.01807	6.5
386.49796	1.0
388.45840	1.0
477.06750	74.1
478.07285	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	477.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12181	0.5
58.94932	0.4
64.57956	0.5
69.03450	1.7
69.35654	3.2
79.01913	0.9
81.03455	1.5
83.01437	0.6
83.05021	0.7
88.46060	0.5
93.03468	5.5
97.02982	2.4
107.01389	1.5
111.04534	2.6
116.84428	0.5
117.76007	0.6
123.00916	0.9
124.01693	1.6
125.02459	74.1
126.02808	1.9
137.02443	1.7
150.54909	0.5
155.03513	2.0
168.00638	3.4
169.01437	100.0
170.01770	4.0
175.16574	0.5
201.05597	3.4
245.04561	1.1
255.56804	0.5
271.52176	0.5
289.03491	0.8
307.04675	0.9
325.05701	5.5
376.12115	0.6
477.06750	16.8
478.07025	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	477.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74915	1.0
67.01900	1.0
69.03456	3.4
79.01893	2.1
81.03488	1.4
88.07133	1.3
91.83790	1.0
93.03471	50.1
94.03809	1.7
95.01393	3.0
97.02959	2.1
107.01395	4.9
108.01025	1.0
109.02942	1.2
111.00887	2.0
123.00906	11.8
124.01693	8.6
125.02466	88.7
126.02811	1.6
127.00445	1.2
137.02463	100.0
138.02808	3.3
139.00400	4.7
140.01151	3.1
141.01950	1.4
145.06609	1.4
147.04562	1.2
151.00386	9.4
166.99817	1.9
168.00674	12.3
169.01451	93.0
170.01781	3.8
173.06055	1.2
188.60678	1.0
201.05565	6.3
202.05876	1.2
219.06682	5.7
221.60939	0.9
245.04555	1.7
259.15515	1.0
263.05652	35.7
264.06064	3.1
289.03564	66.8
290.03790	5.0
300.99963	1.5
302.00021	1.4
307.04565	15.0
308.05386	5.4
325.05573	1.7
477.06754	36.9
478.07135	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	477.069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	2.1
69.03441	4.9
71.36324	1.3
79.01881	4.2
84.54153	1.6
91.31020	1.2
93.03476	15.0
95.01376	6.9
96.45435	1.5
97.02958	3.3
107.01385	7.2
111.00910	1.8
111.04511	5.2
122.49032	1.2
123.00903	32.3
124.01644	5.0
125.02455	78.2
126.02807	4.6
137.02455	18.6
139.00362	8.0
140.01118	2.1
141.01964	1.6
151.00342	2.1
155.03496	6.4
166.99872	43.0
168.00655	11.6
169.01437	100.0
170.01801	9.2
175.04039	3.2
191.03510	1.9
201.05592	6.7
203.03535	2.6
217.01503	1.7
219.02902	1.8
229.01485	2.5
231.03166	1.4
245.04607	2.0
247.02536	3.3
249.04080	2.5
263.05585	3.7
275.01913	6.0
275.48434	1.4
276.02274	2.4
289.03537	10.5
300.99988	6.6
302.00458	2.5
307.04712	8.4
325.05627	7.3
356.54727	1.6
379.04532	1.6
477.06787	30.1
478.07147	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	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
63.02390	1.9
65.00311	3.0
71.01368	2.9
83.01423	1.5
85.02967	1.6
87.00874	0.7
92.16859	0.6
93.03443	0.9
98.21975	4.9
99.00879	1.2
103.00387	0.8
107.01382	6.1
109.02948	3.6
113.02431	2.0
119.01388	0.7
121.02979	7.0
125.02452	1.1
145.28706	0.6
149.02420	1.2
151.00383	25.2
152.00630	0.9
159.04549	0.8
163.00342	3.7
164.01123	0.9
169.01447	1.9
175.02562	1.0
175.04015	0.8
178.99870	13.7
193.01222	0.9
201.05580	1.2
211.03995	1.9
227.03520	1.9
229.04980	1.6
229.23244	1.2
229.25229	0.8
239.03522	0.8
245.04564	2.8
255.02925	4.6
256.03430	0.7
270.98849	1.6
273.04022	2.4
283.02530	1.2
298.98431	2.1
299.99155	8.2
301.03555	100.0
302.03827	6.6
315.01508	5.3
328.96729	0.7
400.06610	0.7
477.06754	17.2
478.07074	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	477.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
76.01002	0.9
81.93530	0.8
82.86189	0.8
85.02984	0.9
95.01407	1.1
98.40807	0.9
107.01417	3.5
111.79432	0.8
119.05049	21.6
120.05364	1.1
123.00895	3.5
125.02473	18.9
139.00381	1.7
151.00380	2.9
163.04041	8.0
168.00630	1.5
169.01450	25.2
170.01843	0.9
194.00305	0.9
241.01335	1.3
242.02065	1.4
242.99336	3.5
258.01636	4.9
259.79953	1.0
270.98859	56.9
271.99252	3.2
283.99591	6.8
285.00424	16.6
285.03418	1.7
286.01151	10.6
298.98352	77.8
299.98962	11.3
300.99832	3.1
312.99960	24.4
313.05557	13.6
314.00696	72.4
315.01184	6.2
328.99301	0.9
477.06250	100.0
478.06659	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	477.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
63.02392	2.3
65.00325	3.7
69.49004	1.6
69.49422	2.5
71.01388	3.4
83.01395	3.2
85.02952	1.6
87.00893	1.0
93.03455	1.1
95.01379	1.3
98.22501	1.1
107.01404	9.2
109.02973	5.1
113.02433	2.6
119.01383	0.8
121.02962	8.1
123.00871	1.1
125.02457	7.7
131.81380	0.8
135.00861	1.0
137.02441	1.2
145.06360	0.7
149.02429	1.9
151.00383	32.1
159.04526	1.3
163.00404	5.0
164.01100	0.7
169.01440	10.4
175.02542	1.6
178.99873	14.1
190.99927	1.3
193.01521	1.2
201.05681	0.8
203.03719	0.7
211.04041	2.3
217.01361	0.8
227.03557	1.9
229.05104	1.6
240.04065	1.1
245.04622	3.4
255.02948	4.5
257.04572	1.3
273.04108	2.0
283.02484	2.7
289.07300	1.7
301.03561	100.0
302.03888	7.3
314.04333	1.7
357.06189	3.0
387.07510	0.8
477.06396	8.5
478.07147	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	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98545	0.3
59.00962	0.4
59.01368	0.5
65.00311	0.7
69.06709	3.2
75.11596	0.3
76.44933	0.4
76.85244	0.4
77.19614	0.3
77.25591	0.4
78.73129	0.3
83.38209	0.3
93.00093	0.3
107.01392	1.1
108.02191	0.5
109.02979	0.4
148.01743	0.6
151.00385	3.7
163.00391	0.7
164.01079	0.6
175.20383	0.4
178.99820	1.3
195.79303	0.4
199.03963	1.7
204.12241	0.4
211.03886	0.6
215.03488	0.5
220.49411	0.4
226.02707	0.9
227.01514	0.3
227.03442	2.2
243.02997	8.0
254.02261	1.6
255.02997	19.8
256.03305	1.4
271.02493	42.0
272.03046	3.4
299.01990	10.7
300.02765	100.0
301.03287	11.3
302.03662	0.9
302.23489	0.4
314.04211	0.4
315.05127	88.9
316.05460	6.9
422.41208	0.4
462.08032	1.6
477.10461	28.0
478.10822	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	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38910	2.0
60.35653	1.8
61.98842	2.2
71.26555	2.5
74.71938	1.9
77.67852	2.0
86.16093	2.0
90.03318	1.8
113.74147	2.3
125.02509	2.8
135.72595	2.0
151.00403	3.0
169.01459	5.1
199.04028	7.5
203.56221	2.3
205.04994	2.3
225.57622	2.1
227.03404	4.0
243.03035	8.8
250.42781	2.1
251.23917	2.1
254.02235	3.6
271.02481	72.7
272.02875	5.3
299.01978	100.0
299.99237	5.4
300.02646	31.8
300.99728	6.6
301.99826	8.9
315.01755	2.6
315.05106	77.1
316.05566	6.2
349.75150	2.2
357.06244	3.0
462.07840	19.4
477.10779	49.3
478.10992	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	477.106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.6
61.98839	5.5
70.65081	0.6
70.65395	0.6
71.01356	1.5
76.85244	0.6
85.02944	0.5
89.02448	0.7
98.21751	0.6
101.02457	0.6
107.01388	1.1
108.02184	0.9
123.00873	0.9
125.02449	2.7
137.02438	0.6
139.00403	0.4
148.01718	1.2
151.00345	1.4
157.93250	0.4
163.00407	0.9
164.01135	0.5
169.01428	3.3
171.06555	0.5
175.04007	0.7
185.02432	0.6
191.00066	0.6
191.03459	0.6
192.00691	0.5
199.04013	0.5
201.01820	0.5
216.04190	0.8
226.02721	0.6
227.03563	1.5
242.99556	0.4
243.00507	0.6
243.02995	7.4
244.03493	1.0
245.01122	0.5
254.02223	1.8
255.03000	20.3
255.05701	1.0
256.03329	1.6
257.03616	0.7
271.02505	41.6
272.02982	4.7
273.03094	1.7
275.01938	0.7
298.98447	0.9
299.01965	1.9
299.99765	3.5
300.02771	100.0
300.99670	2.4
301.03189	9.2
301.99792	1.8
302.03381	2.9
303.00531	0.6
303.03970	0.5
313.97031	0.5
314.00717	0.8
315.05130	98.6
316.05515	7.0
340.12094	0.4
379.05585	0.4
385.03107	0.5
449.01367	0.4
477.06491	2.2
477.09744	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	477.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17111	1.0
67.01907	1.2
71.01377	4.3
79.01905	1.6
82.33081	1.1
83.01384	1.2
85.23763	1.0
93.03468	1.4
95.01402	2.0
97.03005	1.3
101.02451	2.2
107.01399	7.8
111.54716	1.2
113.02477	2.2
119.05045	100.0
120.05389	3.2
123.00889	11.6
124.01740	2.0
125.02464	71.0
126.02808	2.6
135.04541	2.2
136.98796	1.8
139.00395	3.5
140.01160	2.6
151.00391	10.5
152.00659	1.3
163.04027	45.5
164.04384	1.5
168.00658	3.4
169.01453	96.8
170.01735	4.6
211.02527	2.9
241.03622	1.8
258.01666	2.1
270.98868	21.4
283.99655	3.0
285.00430	5.9
286.01212	4.2
298.98383	33.0
299.98929	4.5
313.00281	10.5
313.05679	60.9
314.00726	33.5
314.06082	3.7
315.01062	2.8
315.10458	2.0
433.11679	2.8
466.63336	1.2
477.11304	95.4
478.11548	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	477.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.5
59.69810	0.9
68.96266	9.5
68.96665	2.1
71.01395	4.0
75.63660	1.0
79.75154	1.0
83.89262	1.0
93.03470	1.2
95.01407	1.5
101.02442	1.6
107.01403	8.7
109.02960	1.3
111.00894	1.6
112.07755	1.0
113.02496	1.2
119.05042	61.6
120.05396	2.9
123.00896	9.7
125.02463	46.6
126.02818	1.8
127.27740	1.1
136.98842	1.1
139.00436	3.2
140.01202	2.6
141.01974	1.2
151.00394	9.3
153.01935	2.9
163.04030	24.0
163.05423	1.3
167.03502	1.0
168.00702	2.9
169.01450	63.9
170.01830	3.6
211.02521	1.4
271.05087	1.3
277.15503	1.1
299.04672	1.3
301.00000	2.4
313.05679	22.9
314.05878	1.2
315.10861	1.7
406.96964	1.0
433.11411	8.7
459.09485	3.2
477.10477	100.0
478.10864	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	477.1408
Annotation	Lindleyin
Peak:m/z	Relative Intensity
52.46345	0.4
56.41797	0.4
59.01381	1.5
61.98807	0.8
63.02388	0.6
64.56250	0.4
65.00318	1.4
66.42392	0.4
67.01900	1.0
69.03450	1.1
69.32858	2.9
71.01382	4.5
72.99306	0.8
73.02965	0.6
79.01895	1.7
83.01390	1.8
85.02961	2.5
87.00858	1.1
94.61266	0.4
95.01379	3.1
96.99335	0.6
97.02994	1.2
101.02458	1.9
101.98973	0.4
107.01394	13.6
109.02962	1.5
110.00094	1.0
111.00885	5.0
113.02453	2.8
121.02967	2.1
123.00893	18.8
124.01678	1.4
125.02458	48.7
126.02785	1.7
127.00404	1.9
136.98804	3.4
137.02460	0.6
139.00369	8.8
140.01173	7.1
141.01962	2.9
148.05318	26.6
149.02480	0.8
149.05737	0.7
151.00377	19.3
151.03888	0.5
152.00717	0.6
153.01997	0.7
161.02452	0.5
163.00406	1.4
163.03969	0.7
163.07666	10.1
165.01898	0.6
166.99846	0.8
168.00648	7.8
169.01433	59.9
170.01775	1.9
175.04051	0.6
177.01958	0.6
178.99916	3.6
179.03513	1.3
201.05634	1.0
203.03450	0.5
245.04469	0.6
255.03017	1.2
273.03918	0.8
283.02402	0.9
297.06195	1.0
300.02579	0.9
301.03540	25.0
302.03677	2.0
303.04205	0.7
313.05661	19.6
314.06174	0.5
356.64905	0.5
441.17642	1.1
477.14029	100.0
478.07422	0.6
478.14374	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	477.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38146	0.5
55.01896	0.7
57.03439	1.4
59.01384	9.9
60.05735	0.5
61.98832	0.9
63.02384	0.7
67.01881	0.7
69.03454	1.1
69.05193	2.6
69.05608	2.3
69.24339	0.5
71.01392	7.7
72.99316	0.7
73.02939	1.7
79.01879	1.1
81.03445	0.8
83.01392	1.8
85.02943	3.1
89.02451	1.7
93.72416	0.5
95.01402	2.5
97.02973	1.1
99.00886	1.0
101.02459	4.2
107.00739	0.8
107.01404	10.5
109.02960	1.2
111.00886	2.2
113.02457	3.2
121.02972	1.4
123.00899	14.4
124.01673	1.1
125.02460	52.9
125.09099	0.5
126.02805	1.5
127.00398	1.4
135.95580	0.5
136.98840	1.5
139.00389	5.2
139.03958	0.9
140.01199	4.3
141.01979	1.5
148.05319	26.0
149.02405	0.6
149.05992	1.9
151.00391	14.1
151.01587	1.2
152.00769	1.1
153.01958	0.7
154.99821	0.6
161.04570	2.3
163.00380	1.2
163.07675	8.2
168.00662	4.0
169.01437	63.7
170.01784	2.0
178.99902	2.0
183.03044	2.2
187.03998	0.8
188.17307	0.6
201.05643	0.6
211.02379	1.3
227.03453	0.6
241.03505	0.6
253.03563	1.0
255.03021	1.8
257.03647	0.9
271.02554	1.6
272.02786	0.9
273.03543	1.3
286.60229	0.6
297.06238	0.8
300.02679	2.4
301.03479	16.0
302.03552	4.7
302.33533	0.6
303.04071	2.5
305.04013	0.5
313.05664	20.0
314.06149	1.0
315.05087	0.6
315.18042	0.7
327.07169	1.5
417.24942	3.0
477.14111	100.0
478.14371	10.9
478.20737	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	477.1409
Annotation	Lindleyin
Peak:m/z	Relative Intensity
50.32704	0.3
59.01385	3.2
65.00334	0.8
67.01884	1.3
68.99812	0.5
69.03465	1.0
70.28656	0.9
70.29022	0.5
71.01386	4.4
72.99304	0.9
73.02928	1.1
79.01881	1.2
81.03453	0.4
83.01389	1.4
85.02959	1.4
87.00851	0.4
95.01397	2.6
97.02960	1.7
101.02452	1.8
101.86195	0.3
107.01402	13.7
108.01711	0.5
109.02962	1.3
109.81679	0.3
111.00893	4.2
113.02438	1.7
121.02949	1.2
121.56851	0.3
123.00903	15.3
124.01697	1.6
125.02460	64.0
126.02798	1.2
127.00380	1.2
136.98805	2.0
137.02483	0.7
138.03180	0.3
139.00386	5.8
139.04021	0.9
140.01192	4.8
141.01971	1.3
146.79369	0.3
148.05321	28.7
149.02483	0.6
149.05884	1.6
151.00386	12.8
152.00685	0.4
153.02014	0.7
155.44780	0.3
161.02466	0.4
161.04532	0.3
162.06813	0.3
163.00389	0.7
163.07663	9.8
164.07979	0.4
165.01962	1.1
167.03561	0.5
168.00659	5.0
169.01439	72.9
170.01756	2.1
175.03920	0.4
178.99844	1.5
179.03561	0.5
183.02997	1.2
183.59726	0.3
193.01344	0.4
197.50378	0.3
211.02489	1.4
218.18741	0.3
223.02589	0.4
241.03580	1.3
243.02992	0.4
253.03551	0.8
255.02975	0.7
271.02496	2.4
272.02896	0.4
297.06152	1.7
299.02032	3.1
300.02692	1.2
301.00031	0.6
301.03528	9.6
302.03732	1.1
303.04095	0.7
313.05682	26.4
314.03976	1.9
315.05045	1.9
321.95642	0.3
327.07172	1.7
333.64316	0.3
358.11484	0.3
400.44092	0.3
477.14114	100.0
478.14450	10.6
478.21442	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	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.9
69.18839	7.1
69.19228	1.5
71.01386	6.1
83.01400	2.1
85.02991	2.2
89.02472	2.3
93.03480	17.8
97.02936	1.2
101.02463	4.2
102.98608	4.6
107.01396	3.2
109.02949	3.1
113.02470	3.5
121.02972	2.5
123.04520	3.2
123.41724	1.1
125.02460	16.3
133.02985	1.3
134.03734	0.9
135.04558	2.7
137.02467	29.7
138.02763	1.2
145.02986	1.5
149.02441	1.0
150.03250	17.9
151.00418	4.8
151.04034	5.3
152.04347	2.8
153.01965	2.2
161.02510	1.8
161.04588	1.4
162.03247	24.9
162.04581	1.3
163.03915	1.9
165.05577	12.5
169.00006	1.5
169.01447	26.6
170.01674	1.1
175.03905	1.4
177.05597	25.8
178.99881	1.7
179.03511	1.5
180.04356	1.4
187.04027	1.2
191.15143	1.0
193.01486	1.1
195.06647	4.5
199.04018	4.2
201.01987	1.1
201.42468	1.1
203.03535	1.6
205.05042	1.2
227.03523	4.4
227.66206	1.0
235.30280	0.9
243.02954	8.3
254.02251	1.8
255.03024	16.8
258.01730	1.2
259.02597	1.2
270.99167	3.3
271.02490	63.1
272.02927	5.7
281.06686	32.2
282.07028	1.2
283.05035	4.2
286.01187	2.1
289.04184	1.1
289.07120	6.4
290.07492	1.0
297.06305	1.2
298.70612	1.2
298.98520	4.0
299.01965	53.7
299.99197	14.9
300.02701	91.7
300.99649	3.2
301.03403	12.8
302.00101	1.9
303.00378	1.6
314.00784	5.0
314.04160	2.0
315.01517	12.8
315.05075	100.0
316.05341	8.9
368.86588	1.0
441.08557	5.7
447.12964	3.5
459.13092	18.9
460.13239	1.2
462.08118	9.0
477.11288	39.9
478.10864	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	477.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33224	0.8
55.01879	6.9
57.03450	5.4
58.00588	3.4
59.01384	57.5
59.08496	0.9
61.98824	3.4
63.02388	1.4
65.00311	3.1
65.47338	0.7
67.01882	1.2
68.99796	0.8
69.03464	0.9
70.84275	2.3
71.01388	91.3
72.01720	1.5
72.99318	4.7
73.02951	26.4
75.00874	1.4
83.01394	18.0
85.02958	43.4
87.00870	4.9
89.02453	31.0
93.03442	1.5
95.01382	7.8
96.51033	1.1
97.02946	3.5
99.00890	11.6
101.02453	100.0
102.02780	1.3
106.58009	0.9
107.01396	7.3
109.02972	4.3
110.28725	0.8
111.00875	1.1
113.02463	51.2
119.03509	12.4
121.02946	4.9
123.00911	5.3
125.02464	16.2
129.01942	1.3
131.03546	2.6
139.00375	1.8
140.01076	1.2
143.03510	6.6
145.02878	1.1
148.05301	2.3
151.00383	17.4
152.00722	1.0
153.01805	0.8
159.03018	5.6
161.04572	41.8
162.04895	1.1
163.00383	3.0
167.03600	1.2
168.00603	1.3
169.01442	16.8
178.99873	8.3
179.05634	4.8
187.04079	0.9
201.05591	1.5
205.03519	2.0
211.03925	1.6
229.05121	1.4
238.08029	1.0
245.00957	0.9
245.04614	1.6
247.02559	1.2
255.02997	3.5
271.02466	2.0
273.03806	1.3
283.02567	1.3
300.02658	1.9
301.00223	1.9
301.03546	54.3
302.03720	8.1
313.05432	1.6
315.18149	36.8
316.18420	2.4
438.36282	1.1
462.07138	1.0
477.06934	5.4
477.14377	7.7
477.23389	51.6
477.29822	1.9
478.07748	0.9
478.14587	2.1
478.23779	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	477.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.03770	1.2
59.01384	67.1
61.59238	1.1
61.98835	4.4
69.03497	1.4
69.49583	5.7
71.01389	36.7
72.99310	2.2
73.02951	24.6
75.00869	1.3
79.05554	1.7
81.03475	4.7
83.01393	9.9
85.02972	6.2
87.00855	1.8
89.02449	12.2
95.01401	2.7
95.05021	1.0
97.02892	0.8
97.06602	1.9
98.21946	2.0
98.22471	1.2
99.04527	75.9
100.04877	1.1
101.02453	52.8
102.02773	1.1
107.01392	3.1
111.00912	1.3
111.04502	1.0
113.01800	0.8
113.02460	22.1
113.06102	4.0
119.03496	7.4
123.00922	6.0
123.04540	24.3
125.02462	50.7
126.02811	1.0
131.03476	2.4
136.98799	1.3
139.00410	2.4
140.01144	1.4
141.01920	1.0
141.05595	3.4
143.03516	6.2
148.05305	7.5
149.04555	4.2
151.00336	4.3
153.05583	3.2
161.04562	13.8
163.07645	2.3
168.00642	3.1
169.01462	18.9
170.01816	1.7
170.18129	0.9
170.66577	0.9
179.05606	3.8
263.07709	1.2
299.99243	1.0
300.02719	0.9
300.99875	2.6
301.03378	1.8
313.05692	5.4
315.05118	1.6
477.07214	1.4
477.14081	25.1
477.21069	1.4
477.30045	1.7
478.14218	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	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
59.01385	100.0
60.13745	1.8
65.38562	1.9
68.27341	1.7
68.86861	2.2
69.43021	13.1
71.01385	46.2
71.80782	1.7
73.02942	8.0
76.43497	1.7
83.01402	4.8
85.02962	16.0
87.00868	2.5
89.02460	25.2
95.01377	5.0
99.00893	3.4
101.02452	28.6
107.01395	9.1
109.02963	4.0
113.02448	19.4
119.03507	12.3
121.91509	1.8
123.00887	6.6
125.02462	28.3
131.03529	2.0
142.93170	2.0
143.03539	4.2
148.05333	17.3
151.00421	11.8
159.02985	2.3
161.04573	23.8
163.07684	6.5
168.00708	2.3
169.01456	29.9
176.37906	2.1
178.99864	2.9
179.05618	6.5
189.27008	2.1
255.19809	2.1
301.00375	3.8
301.03568	26.2
302.03967	3.4
313.05777	10.4
315.04663	2.2
372.81033	2.3
417.24966	45.8
418.25320	4.8
456.39288	1.9
477.07147	4.4
477.14038	47.5
478.14447	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	478.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16433	1.6
59.01385	10.9
61.98837	64.4
62.49822	1.4
62.96896	1.3
65.00309	1.6
66.94991	1.5
68.72831	1.4
69.02398	16.7
71.01368	3.6
85.02937	2.0
89.02466	2.8
95.01371	1.9
100.62855	1.6
101.02454	2.8
107.01418	3.0
113.02419	2.4
120.27209	1.7
123.00882	6.0
124.59741	1.5
125.02436	11.2
134.03737	2.2
135.04546	3.4
139.42076	1.7
151.00323	4.3
161.02480	1.6
161.04579	1.5
169.01425	8.2
193.05072	2.4
200.04411	1.8
227.03264	2.3
228.03925	2.6
243.02946	5.3
244.03366	8.5
254.02173	1.9
255.02960	13.4
256.03351	16.5
257.03427	3.5
270.98712	1.8
270.99341	2.1
271.02515	23.0
272.02853	38.7
273.00479	2.8
273.02994	8.4
274.03378	4.6
275.01944	4.1
279.27744	1.6
298.98718	2.5
299.02023	4.9
299.46658	1.8
299.99274	2.9
300.02740	54.4
300.99930	7.5
301.03088	100.0
302.03253	16.1
303.03558	11.2
315.01517	2.6
315.05133	37.8
316.05463	85.6
317.05823	8.3
471.72095	1.5
478.10400	43.6
479.10666	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	478.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52200	3.2
53.53552	3.1
59.01129	4.5
59.01387	54.9
60.01714	6.3
61.98513	6.2
61.98833	100.0
69.03498	5.0
69.90471	15.6
71.01376	14.9
73.02962	4.1
78.58154	3.7
85.02966	4.8
89.02434	5.3
95.01382	3.6
97.24509	3.2
101.02481	9.1
107.01389	8.0
107.05035	36.7
109.03014	5.4
111.71251	3.1
113.02467	7.9
117.03538	4.8
123.00906	15.1
125.02470	35.1
126.02826	10.7
131.27174	3.2
135.97871	3.4
139.03998	5.2
139.11298	4.3
141.01898	4.1
141.30911	3.0
145.02960	12.0
145.39864	3.6
148.05331	9.3
149.05681	8.6
151.00363	11.4
151.04016	9.5
161.04596	4.9
163.07776	5.1
169.01457	46.4
170.01778	14.2
183.10219	19.2
218.30489	3.4
224.55476	3.3
227.03444	3.7
244.03435	6.3
255.02998	10.9
256.03400	15.1
271.02570	26.3
272.02841	32.2
273.03317	4.3
273.94125	3.6
278.24051	3.8
299.02054	8.1
300.02722	69.2
301.03116	91.9
302.03418	14.5
303.03592	4.4
304.04166	3.7
313.05600	4.7
314.06006	9.4
315.05057	36.8
316.01944	3.4
316.05444	93.9
317.06235	4.8
331.04144	10.1
346.06689	7.9
469.11203	5.5
469.61581	7.2
478.09454	13.5
478.14297	61.7
479.14624	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	478.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46185	0.3
61.98844	0.4
65.93606	0.3
70.13872	1.4
70.14217	0.4
72.22414	0.4
78.95918	5.2
78.97086	0.3
85.62942	0.4
92.38304	0.4
94.90219	0.3
98.22468	0.4
104.75108	0.3
125.51918	0.4
139.21358	0.4
140.01207	2.0
145.02910	0.4
152.99582	0.8
164.41319	0.3
168.21524	0.4
169.01349	0.4
196.03778	1.3
214.04865	2.3
281.24884	100.0
282.25201	8.3
478.29529	6.1
479.29739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56326	1.8
70.77136	0.5
78.95913	24.3
84.17817	0.6
96.97000	0.6
104.35999	0.6
122.00155	0.9
123.00809	0.6
125.02470	1.3
140.01193	5.9
151.00377	1.0
152.99605	2.2
169.01346	1.1
171.00633	1.4
196.03801	9.3
211.13326	0.8
214.04892	1.7
275.02039	1.5
281.24890	100.0
282.25284	7.5
300.99951	1.6
301.03299	1.0
302.03827	1.4
304.61829	0.6
391.58533	0.6
478.29428	29.2
479.29718	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	479.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75565	4.3
59.01367	8.2
67.01528	4.3
69.04021	11.4
69.04422	36.6
70.95810	5.2
71.01388	16.0
84.02189	4.1
85.02952	8.7
95.01419	5.5
98.21915	13.9
101.02459	5.2
106.40200	4.4
109.02969	4.5
113.02435	6.1
117.03486	6.0
119.05034	7.0
123.00901	9.2
125.02457	71.0
128.54364	4.1
129.03471	5.6
133.02995	9.2
137.02480	8.3
138.07732	5.0
141.14328	4.0
145.02975	30.3
147.04543	20.7
149.02483	6.2
151.00366	6.0
157.02869	5.0
159.04541	6.8
161.02483	34.0
163.04031	21.3
165.01888	7.3
166.09393	4.4
166.50533	4.5
169.01451	100.0
171.00861	7.0
173.02432	26.3
175.04037	17.7
177.01947	6.3
185.02470	4.9
187.00424	8.5
187.04002	5.7
189.01968	37.7
191.03505	37.3
201.01941	34.5
203.03531	28.5
215.03419	5.4
216.00706	11.2
217.01450	40.9
219.03056	8.5
221.04567	7.0
229.01393	34.4
229.03233	4.5
231.03014	9.7
235.02524	8.9
242.99420	17.4
243.02875	5.2
245.00906	54.5
246.01645	8.6
247.02553	48.2
257.00836	12.5
259.99619	9.0
261.00421	15.1
270.98853	61.6
271.99319	5.5
273.00443	69.6
274.00903	10.2
275.01932	27.4
291.01477	14.8
295.04590	37.8
298.98407	89.1
299.01797	9.6
299.99078	16.3
300.99963	65.9
302.00128	11.2
303.04419	6.7
315.01508	6.1
317.02441	10.2
331.01239	4.9
363.03317	6.2
379.06763	8.1
391.03235	16.3
407.06015	11.5
419.02692	18.0
435.05362	21.8
451.05203	37.7
461.03320	9.2
479.03986	45.7
479.12463	8.6
480.04959	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	479.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.2
58.60881	0.7
61.98825	1.6
62.66346	0.7
64.11434	0.8
69.03470	1.7
71.01402	1.2
79.01892	0.9
79.22638	0.8
81.03472	1.8
82.92226	1.0
83.01416	3.4
93.03515	0.9
95.01406	1.3
95.05020	1.2
97.02972	2.8
105.03461	3.5
107.01411	1.8
109.02959	2.2
123.00928	4.3
124.01662	2.8
125.02465	100.0
126.02808	2.4
135.04527	1.1
137.02467	14.4
139.00435	1.1
139.04062	2.0
147.04541	4.1
149.02448	0.9
151.00392	2.0
151.04068	2.9
161.02458	18.3
162.02972	1.2
163.11330	1.0
163.63550	0.9
164.01222	1.1
165.01926	6.6
165.05647	1.8
166.02711	3.7
167.03535	7.1
168.00633	2.5
169.01445	83.5
170.01811	3.0
177.01939	1.5
183.04575	0.9
184.01733	1.7
199.04048	2.0
201.01952	2.6
201.05563	1.4
202.02701	1.7
203.03340	1.1
207.00603	1.3
223.00221	0.9
225.05652	1.9
227.03429	1.3
229.01517	2.2
241.05090	1.3
242.05615	1.0
250.99643	7.0
259.06033	1.8
265.04834	1.5
269.04590	9.9
273.01605	2.6
287.02658	1.2
287.05524	4.7
291.02780	1.1
300.99930	4.7
309.03839	19.0
309.07419	1.0
310.04376	0.9
313.05750	1.6
316.02466	2.1
316.99567	1.1
317.03134	1.1
327.04727	4.9
331.06967	0.9
341.02866	4.6
461.11017	3.5
479.07022	4.1
500.82227	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	479.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00533	0.8
59.01378	1.9
65.00288	0.7
65.09034	0.8
71.01375	1.3
93.53008	0.7
98.22529	1.9
107.01388	2.6
109.02955	1.6
123.00905	2.0
124.01699	3.8
125.02470	7.7
137.02434	2.0
147.00865	1.7
150.03210	2.2
150.99310	1.2
151.00392	9.3
152.01122	1.7
162.03227	1.3
163.00320	2.1
164.01137	2.2
165.05545	1.5
169.01434	8.9
178.99869	7.1
193.01366	0.9
199.04030	0.9
203.03554	1.7
209.69830	0.7
214.02724	8.4
215.03288	0.7
220.81044	0.9
227.03511	1.6
242.02156	5.5
243.03018	4.0
259.02481	6.6
267.06653	0.9
270.01715	8.2
270.99628	1.8
271.02512	37.0
272.02768	3.0
275.01959	4.5
284.07074	1.0
287.02014	20.8
288.02490	3.2
299.01862	1.5
299.09274	6.5
300.99841	2.9
313.05762	4.5
316.02267	100.0
317.02948	20.3
322.97983	1.1
331.84012	1.0
340.75760	0.9
355.29034	0.8
425.07840	0.7
479.08191	68.8
480.08667	5.7
487.04602	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	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11601	0.2
59.01387	0.3
65.58898	0.2
71.26232	0.4
71.77739	0.2
88.34767	0.2
115.41528	0.2
117.27902	0.2
125.02467	0.5
131.05005	0.3
133.03003	0.2
140.01157	0.2
145.02956	0.6
147.04532	0.9
155.03474	0.3
157.03012	0.4
159.04543	0.4
161.02499	1.1
163.03972	0.5
169.01414	0.6
173.02394	1.2
174.03172	0.3
175.04015	1.5
176.04361	0.2
177.01895	0.4
179.55011	0.2
185.02431	0.9
189.01929	0.9
190.02718	2.3
191.03505	1.7
200.01083	0.3
201.01936	2.8
202.02626	0.6
203.03500	3.9
205.01302	0.3
213.01959	0.8
217.01411	0.7
218.02220	1.5
219.03043	1.5
228.00598	0.6
229.01421	9.5
230.01865	0.6
231.02908	1.3
233.00903	0.3
245.00929	1.0
245.32532	0.2
246.01546	0.3
247.02451	1.2
257.00934	11.1
258.01645	4.1
270.98828	0.5
273.00330	1.6
274.01218	7.2
275.01984	100.0
276.02328	6.1
298.98334	0.6
300.99771	0.7
301.99872	0.4
324.49088	0.2
419.06091	1.4
437.07153	1.8
479.08398	3.9
480.08853	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	479.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76665	0.6
57.03453	11.8
59.01384	1.4
61.98835	3.8
63.02412	1.1
65.00317	4.0
67.01878	1.2
68.99818	1.8
69.23898	1.5
69.24302	2.7
83.01400	12.1
89.02470	1.1
93.03469	27.6
97.02950	0.9
102.18990	0.7
107.01400	7.6
108.02216	0.8
109.02951	5.3
111.00882	1.2
121.02944	1.0
123.00909	0.7
123.04533	0.7
124.01670	0.9
125.02461	100.0
126.02805	3.1
137.02460	65.5
138.02802	2.1
139.04044	0.9
140.86183	0.6
147.04539	0.8
149.02467	10.0
150.03276	3.9
151.00392	28.0
151.03847	0.7
152.01227	4.6
153.01955	61.4
154.02313	1.8
161.02515	0.6
165.05592	3.7
169.01442	2.1
177.01991	2.2
178.99876	7.4
191.03484	0.9
225.79478	0.6
227.03584	1.2
238.51749	0.6
242.71857	0.5
281.06714	3.2
284.03363	0.8
285.04034	1.2
288.83612	0.7
289.30396	0.6
316.02524	1.2
317.03009	3.5
317.06720	2.4
334.84879	0.6
345.19730	0.6
407.09949	4.1
461.07251	1.7
468.65179	0.7
479.12692	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	479.0834
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
51.11601	0.2
59.01387	0.3
65.58898	0.2
71.26232	0.4
71.77739	0.2
88.34767	0.2
115.41528	0.2
117.27902	0.2
125.02467	0.5
131.05005	0.3
133.03003	0.2
140.01157	0.2
145.02956	0.6
147.04532	0.9
155.03474	0.3
157.03012	0.4
159.04543	0.4
161.02499	1.1
163.03972	0.5
169.01414	0.6
173.02394	1.2
174.03172	0.3
175.04015	1.5
176.04361	0.2
177.01895	0.4
179.55011	0.2
185.02431	0.9
189.01929	0.9
190.02718	2.3
191.03505	1.7
200.01083	0.3
201.01936	2.8
202.02626	0.6
203.03500	3.9
205.01302	0.3
213.01959	0.8
217.01411	0.7
218.02220	1.5
219.03043	1.5
228.00598	0.6
229.01421	9.5
230.01865	0.6
231.02908	1.3
233.00903	0.3
245.00929	1.0
245.32532	0.2
246.01546	0.3
247.02451	1.2
257.00934	11.1
258.01645	4.1
270.98828	0.5
273.00330	1.6
274.01218	7.2
275.01984	100.0
276.02328	6.1
298.98334	0.6
300.99771	0.7
301.99872	0.4
324.49088	0.2
419.06091	1.4
437.07153	1.8
479.08398	3.9
480.08853	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	479.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53222	3.6
57.03452	9.2
59.01385	8.0
59.76895	4.8
81.64941	4.0
85.02962	25.7
87.00890	33.1
101.02459	7.7
106.58549	3.9
124.84793	4.1
125.02438	9.2
129.01978	5.5
134.65450	3.6
147.03018	100.0
160.13676	4.1
161.02499	4.6
167.21571	3.9
169.01439	17.0
182.73003	4.4
229.01555	6.5
242.99310	7.9
245.00934	4.9
247.02521	6.7
270.98801	22.3
273.00543	9.7
298.98453	32.4
299.98987	6.0
300.99857	4.9
331.06665	24.4
433.23828	4.3
479.05298	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	479.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
59.01375	4.1
67.01872	1.6
69.03455	1.5
71.01398	8.1
81.03444	1.2
83.01396	1.7
85.02959	1.4
89.02464	1.5
90.84056	1.1
97.02956	1.3
101.02436	3.1
107.01402	16.9
109.02946	2.6
111.00880	2.2
113.02483	3.5
119.05042	6.2
120.05375	1.9
122.03728	3.1
123.00895	14.1
124.01706	2.7
125.02460	81.6
126.02799	4.8
134.92766	1.1
137.02426	3.5
139.00397	6.0
139.04065	1.5
140.01151	3.6
141.01967	1.2
149.02441	1.2
150.03241	57.0
151.00385	15.4
151.03964	4.4
153.01932	2.9
163.04028	2.4
165.01955	2.1
165.04349	1.9
165.05591	25.9
167.03513	2.6
168.00645	4.8
169.01445	100.0
170.01778	4.5
171.01907	2.3
178.99901	3.2
192.00728	1.2
204.04276	1.4
208.85474	1.1
211.02531	4.2
214.02737	4.7
229.12897	1.2
235.02553	1.1
241.03513	3.2
242.02185	2.6
243.02745	1.8
253.03603	1.4
259.02417	4.9
270.01654	4.6
271.02408	20.6
271.04883	2.4
272.02756	2.3
275.01978	2.6
276.09192	1.1
287.02008	11.8
288.02521	1.8
289.70987	1.1
300.99808	3.4
313.05682	73.1
314.06052	6.4
316.02240	54.2
317.02899	11.9
327.07538	2.0
479.11716	81.3
480.13138	8.2
494.97983	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	479.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
59.01375	4.1
67.01872	1.6
69.03455	1.5
71.01398	8.1
81.03444	1.2
83.01396	1.7
85.02959	1.4
89.02464	1.5
90.84056	1.1
97.02956	1.3
101.02436	3.1
107.01402	16.9
109.02946	2.6
111.00880	2.2
113.02483	3.5
119.05042	6.2
120.05375	1.9
122.03728	3.1
123.00895	14.1
124.01706	2.7
125.02460	81.6
126.02799	4.8
134.92766	1.1
137.02426	3.5
139.00397	6.0
139.04065	1.5
140.01151	3.6
141.01967	1.2
149.02441	1.2
150.03241	57.0
151.00385	15.4
151.03964	4.4
153.01932	2.9
163.04028	2.4
165.01955	2.1
165.04349	1.9
165.05591	25.9
167.03513	2.6
168.00645	4.8
169.01445	100.0
170.01778	4.5
171.01907	2.3
178.99901	3.2
192.00728	1.2
204.04276	1.4
208.85474	1.1
211.02531	4.2
214.02737	4.7
229.12897	1.2
235.02553	1.1
241.03513	3.2
242.02185	2.6
243.02745	1.8
253.03603	1.4
259.02417	4.9
270.01654	4.6
271.02408	20.6
271.04883	2.4
272.02756	2.3
275.01978	2.6
276.09192	1.1
287.02008	11.8
288.02521	1.8
289.70987	1.1
300.99808	3.4
313.05682	73.1
314.06052	6.4
316.02240	54.2
317.02899	11.9
327.07538	2.0
479.11716	81.3
480.13138	8.2
494.97983	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	479.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99586	0.9
59.01385	9.1
63.81606	0.7
67.01886	1.2
68.96627	6.1
68.97038	1.5
68.99776	0.9
71.01383	7.4
73.02956	1.2
79.01899	1.3
83.01419	0.9
85.02937	1.6
87.00893	2.3
89.02453	5.7
93.03484	1.4
95.01405	2.9
96.96003	0.8
97.02944	0.9
99.00895	1.0
101.02450	5.7
102.98618	4.5
107.01411	6.5
109.90839	0.7
111.00870	2.4
113.02467	2.8
117.03473	1.6
119.03532	1.9
123.00903	12.7
125.02460	28.2
126.02785	1.3
133.02943	1.4
135.63795	0.8
136.98848	1.5
137.02429	1.2
139.00354	5.9
140.01193	8.2
141.01979	1.4
145.02950	3.7
147.04570	1.8
151.00377	10.1
155.03493	5.2
157.03043	0.9
161.02446	4.7
161.04539	0.8
163.00378	0.8
163.04036	1.8
165.01901	1.1
165.07687	2.9
168.00569	3.8
169.01448	40.6
170.01778	1.4
171.02045	1.1
173.02426	2.6
175.04063	1.7
176.97672	0.9
177.01889	1.9
179.03447	1.2
189.01910	3.6
190.99901	1.2
191.03493	3.1
199.00432	0.9
201.01952	3.3
203.03525	3.0
211.02484	8.6
214.99869	1.5
216.00731	1.1
217.01447	5.4
219.02838	1.2
229.01433	3.1
242.99236	2.0
245.00909	5.8
247.02538	6.3
257.00955	1.0
259.99521	1.4
261.00482	1.6
263.01801	1.4
270.98846	6.1
271.04654	10.6
271.99545	0.9
273.00412	9.6
275.01889	1.0
283.04926	6.0
291.01450	1.1
298.98352	8.9
300.99866	3.9
313.05728	2.8
327.06952	1.1
391.03116	2.2
407.06134	1.1
419.02612	1.2
435.05615	3.1
451.05295	4.9
479.05811	4.4
479.14117	100.0
480.14560	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	479.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90551	0.5
55.32463	0.5
57.82453	0.5
61.98817	1.4
69.03449	1.6
69.23536	5.0
71.01373	1.7
71.18874	0.5
73.15491	0.5
79.01889	0.5
83.26218	0.5
86.04180	0.6
91.00342	0.6
95.01370	1.1
97.02953	1.4
98.01077	0.5
101.02440	0.8
107.01421	0.6
109.65972	0.5
109.86673	0.6
113.02465	0.8
121.02929	0.7
121.10293	0.8
123.00907	2.0
124.01704	4.3
125.02460	71.0
126.02802	1.6
139.00401	1.4
151.00417	0.8
166.99864	1.0
168.00671	8.4
169.01442	100.0
170.01776	2.7
193.92580	0.5
208.36879	0.6
211.02547	1.6
275.02051	1.3
300.99896	1.2
313.05640	8.6
331.06696	23.4
332.07080	1.6
416.57877	0.7
448.76108	0.6
459.25729	0.6
479.15652	31.0
480.16296	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	479.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.3
69.03465	1.5
70.73447	0.4
79.01904	0.6
81.03453	0.6
83.01389	0.2
86.19381	0.2
94.60661	0.2
95.01403	0.6
97.02967	1.5
97.14581	0.2
107.01418	0.3
111.00895	0.3
123.00903	0.5
124.01665	1.0
125.02462	57.5
126.02802	1.4
136.98866	0.2
139.00359	0.4
154.76836	0.2
168.00641	1.4
169.01442	100.0
170.01791	2.9
180.00583	0.2
289.14456	0.2
327.21719	0.2
331.06693	0.4
479.15659	0.8
479.22946	1.9
480.23984	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	479.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74376	0.8
59.01389	7.2
61.98852	1.5
65.00259	0.9
67.01891	2.8
67.37010	0.8
69.03456	2.5
69.86765	0.9
71.01384	9.0
72.99301	1.2
73.97038	0.8
78.95957	1.1
79.01897	3.3
81.03468	1.0
83.01412	2.0
85.02960	2.3
89.05453	0.9
95.01405	5.7
97.02971	1.9
98.21819	2.4
99.00878	1.1
101.02461	2.4
106.25965	0.9
107.01393	12.2
111.00900	3.3
113.02454	2.8
121.02921	0.9
121.06607	3.0
121.10242	6.7
123.00006	2.0
123.00902	37.8
124.01711	2.2
125.02462	64.9
126.02792	1.5
127.00393	1.3
136.98787	1.8
137.02493	0.8
139.00375	12.4
140.01176	4.8
141.01973	4.6
143.74664	0.9
145.10228	1.1
145.39302	0.9
151.00385	29.8
153.01968	2.5
155.34872	0.9
161.09712	2.2
163.11317	5.9
165.01997	1.5
165.09196	7.8
167.03444	1.7
168.00655	8.9
169.01437	93.6
170.01749	2.1
179.10788	1.5
181.01443	1.3
183.02986	1.0
193.01514	2.2
207.10374	2.0
208.67792	1.1
211.02513	11.1
211.13383	2.4
229.14519	1.9
253.03552	2.7
270.98706	1.2
274.28690	0.9
275.02094	3.1
299.99152	1.2
301.00235	1.9
313.05612	9.9
314.05869	1.0
327.21747	5.5
328.22049	1.2
377.17795	0.9
419.13922	1.3
479.15585	100.0
479.22852	34.1
480.15936	13.1
480.23254	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	479.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09326	1.5
55.01880	1.7
57.03445	2.6
59.01389	9.4
61.98839	11.1
64.86387	1.5
66.15723	1.6
69.03467	2.7
69.23288	10.2
69.23701	2.5
69.31348	1.5
71.01389	34.4
73.02953	30.1
78.95934	3.2
80.02708	1.8
81.03461	2.4
83.01408	4.4
83.05013	2.6
85.02953	23.5
87.04523	3.3
89.02452	2.5
89.35317	1.5
93.03484	1.8
95.01398	7.9
95.05032	24.9
97.02953	3.0
99.00906	4.7
99.04571	2.0
101.02451	13.8
107.04317	2.7
107.05042	54.6
107.05740	3.2
107.08689	5.4
108.02188	46.4
109.02974	47.9
109.06598	14.3
113.02454	11.4
120.05838	3.0
121.06625	9.5
123.00899	4.6
123.04551	5.5
125.02465	12.6
127.29163	1.8
133.06647	2.9
135.04616	1.9
135.08200	2.1
137.02429	2.5
137.06078	2.1
139.11284	1.9
145.10295	4.0
151.00403	2.5
151.04048	5.0
152.99638	2.8
154.66072	1.8
159.03072	2.0
161.04587	17.0
161.09767	6.5
163.11304	100.0
164.11673	5.8
169.01422	15.7
181.12317	8.7
183.10216	9.0
207.10272	79.4
208.10689	3.3
208.33124	1.7
225.11343	75.7
226.11693	3.6
231.10239	3.8
249.11151	3.5
253.85493	2.1
257.50983	1.6
263.12881	2.2
267.12415	2.4
270.98932	4.4
271.08243	10.7
275.02020	3.6
291.12460	10.8
298.98508	2.9
299.98987	2.1
302.04074	1.8
303.49478	1.6
309.13800	1.9
327.59567	1.7
369.16040	2.2
479.07904	3.9
479.19458	87.5
480.19598	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	479.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03459	1.4
59.01392	9.1
60.97788	1.0
61.98833	2.7
68.99807	1.2
69.03438	1.7
69.18422	9.9
71.01395	13.0
72.44980	1.0
73.02959	6.7
78.95901	2.5
79.01923	1.0
81.03457	3.5
83.01375	4.7
85.02958	23.5
86.00113	1.2
87.04513	3.3
89.02448	2.3
93.03461	2.8
95.01392	18.4
97.02949	1.9
98.21699	1.3
99.00896	4.3
101.02471	9.5
108.02190	85.7
109.02971	100.0
109.06587	1.3
110.03304	2.7
113.02464	6.3
119.03411	1.1
123.00909	14.5
123.04521	4.0
124.01692	1.3
125.02464	5.6
136.01662	2.8
137.02452	3.6
137.06091	1.6
139.71573	1.2
140.01137	3.8
151.00337	1.3
151.03983	7.2
152.04199	1.3
152.99615	2.8
155.03560	5.6
161.04535	3.3
163.04094	2.0
163.07668	1.4
163.11333	4.0
169.01443	4.9
174.47458	1.1
181.12364	33.5
182.12718	1.6
225.11362	14.8
231.10202	2.1
242.99274	1.7
249.11351	3.6
263.12881	3.5
267.12430	3.5
270.98837	7.0
271.86517	1.3
275.01929	1.4
279.12604	1.3
279.33585	1.2
291.12308	7.8
298.98492	6.2
299.98737	1.7
301.00238	1.6
301.03622	2.1
309.13336	5.4
369.15451	1.9
479.07932	2.2
479.19272	47.0
479.31851	10.6
480.19644	5.8
480.32346	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	480.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33916	1.0
59.01377	2.4
61.98836	100.0
69.02991	4.3
69.03422	6.0
71.01376	1.4
95.01399	1.6
98.21793	1.9
105.59904	1.0
107.01408	2.5
107.96673	1.1
123.00924	3.9
123.04640	1.0
125.02445	10.4
127.18621	1.1
135.04576	2.1
151.00381	1.7
161.02425	1.4
166.99823	1.4
168.00603	1.9
169.01431	12.3
201.01991	1.3
211.02528	2.7
217.01300	1.3
227.03513	10.6
228.03996	1.1
229.01416	1.8
230.01733	1.3
245.00882	1.5
255.02972	16.9
256.03683	1.4
271.04694	6.1
273.00412	1.3
275.01965	3.7
284.03275	16.2
285.04099	12.4
300.99896	7.9
301.03583	4.4
327.04947	1.3
333.02148	1.2
365.40894	1.2
417.08325	25.2
418.08878	1.3
481.17761	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	480.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28688	3.3
59.01366	6.5
69.96098	6.9
69.96482	7.6
72.07479	3.3
85.24823	3.3
97.64734	3.3
102.36717	3.5
134.03766	5.1
135.04506	5.2
144.34001	3.4
148.05228	7.5
149.06093	21.9
150.06873	11.6
163.07668	3.7
164.04742	6.5
205.12331	4.1
218.13228	5.4
219.13924	5.6
232.14699	100.0
233.15482	60.9
234.15880	6.0
247.13373	9.6
300.32730	3.6
437.22018	9.5
493.06802	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	480.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11379	11.0
59.01381	11.5
61.98809	15.1
98.21767	48.0
98.22482	61.8
125.02450	11.0
149.06097	39.4
150.06892	11.1
169.01476	25.5
219.13887	12.7
220.93390	11.9
228.96646	13.2
229.84924	13.3
232.14662	100.0
233.15413	84.9
244.85997	11.7
247.13341	14.3
293.16226	11.2
334.50809	13.1
419.02719	13.4
499.27933	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.31567	0.7
69.31909	5.1
69.42297	0.6
89.05935	0.6
98.22318	2.1
123.00917	1.0
125.02504	1.4
169.01505	2.4
209.11983	1.0
255.81364	0.7
267.71307	0.7
301.00116	1.1
313.63470	0.7
392.71796	0.9
452.41708	0.7
484.48758	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	480.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
60.26387	0.4
61.98836	100.0
69.25007	0.8
69.25405	3.6
69.66149	0.4
71.01381	1.0
77.78650	0.4
89.02433	0.5
95.58353	0.4
101.02480	1.0
107.01441	1.0
110.86076	0.5
113.02527	0.6
123.00924	0.7
123.04567	1.7
124.04910	0.8
125.02444	3.9
126.35564	0.4
151.02838	1.1
153.01906	0.7
161.04669	0.6
166.05089	9.5
167.03505	4.8
168.03908	2.3
169.01431	4.9
183.03070	0.7
191.03580	1.6
209.04584	0.8
268.48987	0.5
289.16797	1.4
307.48117	0.5
313.05661	4.5
360.16760	0.5
421.20895	2.2
450.21112	0.6
457.89676	0.5
480.11511	3.2
481.16083	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	480.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43532	0.5
55.19883	0.5
57.45810	0.5
59.01383	1.6
61.98837	100.0
67.46140	0.5
69.14923	4.4
86.41228	0.5
95.01377	0.8
95.68172	0.6
107.01379	0.7
123.00938	1.1
125.02489	1.7
169.01436	1.7
217.50270	0.6
221.65541	0.6
228.90215	0.6
300.99976	1.8
309.14600	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	481.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36950	0.4
55.47746	0.4
59.01363	1.5
64.83460	0.4
69.33158	1.0
69.33568	2.2
71.01379	1.0
72.71935	0.4
88.06410	0.6
89.02441	0.6
94.03488	0.4
95.01369	0.6
101.02439	0.6
106.49432	0.5
119.05054	0.6
119.36842	0.4
123.00869	1.2
125.02442	0.9
131.04892	0.5
133.02940	0.7
145.02962	1.9
147.04466	1.2
157.02913	1.8
159.04501	1.3
161.02498	0.9
163.04025	0.8
173.02460	2.8
175.04077	3.3
177.01883	0.6
185.02455	4.6
187.03981	0.7
189.01990	1.4
190.02730	1.2
190.53702	0.4
191.03481	2.2
200.01202	0.4
201.01970	5.3
202.02522	0.8
203.03531	6.2
205.01549	0.6
213.02023	2.1
214.02684	0.7
217.01396	1.4
219.03008	2.0
221.04520	0.6
228.00664	0.6
229.01450	12.4
230.01855	0.5
231.03000	4.3
240.00563	0.5
240.32703	0.4
245.00908	3.2
246.01274	0.6
247.02513	2.6
249.04022	2.9
255.86432	0.5
257.00928	10.2
258.01669	3.6
273.00488	0.9
274.01254	1.3
275.01993	46.0
276.02386	2.1
283.99582	1.7
299.99069	2.2
300.99908	100.0
302.00192	6.4
333.02795	0.5
421.03903	3.6
431.31787	0.5
481.06259	40.8
482.06586	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	481.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
71.01395	1.5
71.25874	1.3
77.54897	0.6
84.28538	0.7
85.02971	1.0
93.34665	0.6
95.01370	0.6
111.75968	0.6
123.00893	2.0
125.02444	1.0
129.03479	0.8
134.02701	0.7
139.10469	0.6
145.02943	1.5
147.04549	1.6
157.02982	1.6
159.04515	1.2
163.04010	1.0
166.99869	1.0
173.02452	1.9
175.04012	1.9
185.02420	3.6
189.01898	0.9
191.03514	1.4
201.01944	5.3
203.03459	5.1
213.01836	1.7
214.02626	0.7
217.01347	0.7
219.02953	1.8
229.01434	9.5
231.02957	3.2
245.00899	1.8
247.02455	1.1
249.04054	2.6
257.00897	8.0
258.01712	3.4
273.00256	1.2
274.01193	1.4
275.01993	39.3
276.02304	2.3
283.99670	2.7
299.99136	2.3
300.99915	100.0
302.00296	7.3
388.01645	0.6
421.03983	3.0
481.06241	40.3
482.06442	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	481.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
67.01897	0.9
69.03454	2.2
70.02847	0.5
71.01392	1.3
71.26994	0.5
79.01884	1.1
83.01418	0.6
85.02976	0.9
89.39103	0.4
91.01904	1.6
95.01400	1.4
97.02965	2.0
101.02456	0.7
107.01404	3.1
108.02192	1.3
109.02978	1.8
111.00932	0.7
113.02463	0.6
121.02965	0.6
123.00905	4.5
123.04549	3.5
124.01678	4.3
125.02461	77.6
126.02818	2.4
129.49583	0.4
131.84540	0.4
135.00899	0.6
137.02451	1.4
139.00401	1.9
139.04007	1.0
140.01152	0.8
151.00412	1.8
152.01183	3.1
153.01939	3.9
165.01938	2.8
166.02760	1.1
166.99928	1.0
167.03519	11.3
168.00668	7.5
168.03867	0.9
169.01442	100.0
170.01782	3.2
183.03014	3.2
192.24142	0.4
211.02455	1.6
222.82486	0.4
241.03633	0.6
253.03694	0.6
275.01947	0.5
288.33597	0.5
300.99866	2.0
301.03018	0.5
302.00348	0.9
303.00510	1.4
313.05676	6.5
315.07098	0.5
316.02350	0.5
318.03192	0.5
331.06741	10.9
332.06888	1.0
437.11121	1.1
470.59866	0.5
481.09885	57.9
482.10220	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	481.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24602	2.1
56.85496	2.3
57.03451	18.3
59.01379	2.5
59.94240	1.9
63.02422	3.0
65.00327	5.3
69.29691	10.8
69.30112	5.7
73.32443	2.1
83.01400	9.6
93.03514	2.7
95.01386	3.6
98.37145	2.3
107.01404	13.5
109.02936	5.2
111.90527	2.1
118.17271	2.5
121.02964	3.2
123.00880	12.9
124.01659	4.0
124.60515	1.9
125.01531	5.0
125.02460	100.0
126.02779	2.6
137.02448	16.1
139.04013	6.2
149.02446	2.8
151.00383	33.2
152.01132	12.5
153.01926	15.3
155.03578	3.2
159.04451	3.4
163.00397	2.4
165.01929	21.9
166.02554	3.1
167.03494	24.8
169.01439	13.0
175.00389	7.0
175.03992	2.6
178.99878	34.4
190.02679	3.6
191.03513	17.0
192.00670	3.1
193.01434	97.8
194.01797	4.6
195.55563	2.5
205.05125	2.3
209.04422	2.6
211.04001	4.5
213.05760	2.8
215.03473	5.4
227.03574	3.7
229.05005	2.4
232.03769	3.6
233.04535	10.5
239.03499	6.1
252.00232	2.2
255.03085	12.1
257.04565	5.6
275.05606	10.9
283.02493	43.2
300.02646	3.1
301.00165	3.6
301.03625	11.6
313.05627	5.6
319.04517	3.2
329.08835	4.2
353.08829	2.9
355.06729	35.4
355.10736	3.7
437.10745	4.6
453.10199	9.1
463.08865	59.3
464.09229	5.8
481.09900	56.2
482.10123	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	481.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01394	0.6
65.00315	0.7
68.19003	0.2
71.01387	0.3
81.03459	4.7
83.01394	2.8
95.05042	0.6
99.04530	0.4
107.01413	0.6
123.00877	0.6
123.04538	31.5
124.04877	1.3
125.02467	6.5
135.75337	0.3
136.01640	0.7
140.01146	0.3
151.00394	1.2
151.03990	0.5
167.03510	100.0
168.00639	0.3
168.03845	3.5
169.01439	1.3
241.92148	0.3
313.05695	2.4
481.09937	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	481.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.8
63.13185	0.7
67.01884	1.2
70.68406	1.9
71.01395	6.0
79.01935	0.9
81.03471	0.8
83.01397	1.0
85.02959	1.8
87.00857	0.9
95.01418	1.3
97.02989	1.1
101.02486	2.0
107.00739	1.2
107.01411	13.2
108.02200	15.9
109.02966	2.5
111.00912	1.4
113.02435	1.4
122.57505	0.8
123.00911	10.3
123.04530	8.2
123.28629	0.8
124.01694	2.1
125.02460	74.1
126.02821	1.7
136.98776	1.0
139.00417	4.5
139.03966	0.8
140.01135	2.0
141.01932	1.6
149.02397	0.8
151.00369	8.0
152.01163	42.7
153.02031	4.2
167.03499	29.6
168.00647	3.1
169.01440	100.0
170.01778	2.6
183.02979	1.5
193.01462	1.5
211.02536	3.1
231.03056	1.1
241.03593	2.0
275.02008	1.1
313.05688	66.3
314.06146	3.6
327.07248	2.0
437.10889	5.8
440.24643	0.7
481.09921	93.4
482.10251	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	481.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95382	0.7
57.03461	3.8
59.01375	2.3
65.00322	1.1
66.22926	0.8
67.01881	0.8
68.87061	0.9
69.03434	1.4
71.01392	3.7
79.01927	0.8
81.03471	6.6
82.71770	0.8
83.01391	6.7
83.71297	0.6
85.02969	0.9
90.61192	0.7
92.41346	0.7
95.01379	1.3
97.02957	1.2
101.02441	1.8
107.01401	10.3
111.00902	0.9
113.02489	0.8
123.00897	6.3
123.04541	39.5
124.01678	1.3
124.04887	1.8
125.02463	73.4
126.02821	2.3
136.98888	1.1
139.00383	2.4
140.01128	1.5
149.02434	2.2
151.00392	8.7
152.03555	13.6
153.01889	1.1
164.76195	0.7
167.03513	80.1
167.58521	0.7
168.00693	3.7
168.03862	2.2
169.01442	76.4
170.01802	2.7
179.03433	0.9
191.03461	2.1
195.03090	0.9
209.04562	1.3
211.02527	7.0
241.03517	2.7
253.03622	1.3
271.04669	5.5
300.99866	2.3
301.99789	1.1
313.05676	56.1
314.06033	4.2
439.08865	25.0
440.09265	1.6
477.21619	0.8
481.09933	100.0
482.10303	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	481.101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34801	0.8
57.03447	1.5
59.01379	6.1
62.18132	0.8
65.00319	1.2
67.01901	0.8
69.03449	1.7
71.01385	10.2
71.26957	1.4
71.47147	0.7
73.02935	1.4
79.01903	0.8
83.01392	1.6
85.02940	2.3
89.02428	2.8
89.74762	0.8
91.01896	0.8
93.03448	2.5
95.01369	2.7
97.02946	0.9
101.02432	3.6
107.01402	12.8
108.02161	2.2
109.02940	2.6
111.00894	1.8
113.02451	2.7
121.02905	0.8
123.00906	8.8
123.04499	3.5
124.01682	2.1
125.02460	82.8
126.02813	5.2
127.02830	1.0
136.98773	1.9
137.02435	4.2
139.00403	4.9
139.03961	1.9
140.01135	3.0
141.01917	0.9
151.00371	7.5
151.87198	0.8
152.01180	4.1
153.01959	8.8
154.02264	1.4
165.01944	2.4
167.03493	5.7
168.00658	6.2
169.01442	100.0
170.01790	4.7
171.01811	0.9
177.01874	1.0
178.75017	0.8
178.99933	1.1
183.02992	4.0
191.03511	1.1
193.01443	6.9
211.02499	7.5
212.02866	1.0
225.03963	1.7
229.01363	1.1
237.64389	0.8
241.03532	5.5
271.04602	11.6
275.01917	1.7
276.02292	1.7
285.06274	3.0
300.99826	2.9
301.03226	1.6
313.05682	60.2
314.05853	3.3
317.02692	0.8
319.04584	2.2
327.07297	2.5
331.06558	1.9
407.00006	0.9
421.08020	1.6
435.26074	6.4
437.10919	1.4
481.09781	62.1
482.10248	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	481.101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34801	0.8
57.03447	1.5
59.01379	6.1
62.18132	0.8
65.00319	1.2
67.01901	0.8
69.03449	1.7
71.01385	10.2
71.26957	1.4
71.47147	0.7
73.02935	1.4
79.01903	0.8
83.01392	1.6
85.02940	2.3
89.02428	2.8
89.74762	0.8
91.01896	0.8
93.03448	2.5
95.01369	2.7
97.02946	0.9
101.02432	3.6
107.01402	12.8
108.02161	2.2
109.02940	2.6
111.00894	1.8
113.02451	2.7
121.02905	0.8
123.00906	8.8
123.04499	3.5
124.01682	2.1
125.02460	82.8
126.02813	5.2
127.02830	1.0
136.98773	1.9
137.02435	4.2
139.00403	4.9
139.03961	1.9
140.01135	3.0
141.01917	0.9
151.00371	7.5
151.87198	0.8
152.01180	4.1
153.01959	8.8
154.02264	1.4
165.01944	2.4
167.03493	5.7
168.00658	6.2
169.01442	100.0
170.01790	4.7
171.01811	0.9
177.01874	1.0
178.75017	0.8
178.99933	1.1
183.02992	4.0
191.03511	1.1
193.01443	6.9
211.02499	7.5
212.02866	1.0
225.03963	1.7
229.01363	1.1
237.64389	0.8
241.03532	5.5
271.04602	11.6
275.01917	1.7
276.02292	1.7
285.06274	3.0
300.99826	2.9
301.03226	1.6
313.05682	60.2
314.05853	3.3
317.02692	0.8
319.04584	2.2
327.07297	2.5
331.06558	1.9
407.00006	0.9
421.08020	1.6
435.26074	6.4
437.10919	1.4
481.09781	62.1
482.10248	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	481.1355
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
53.60584	0.5
54.37768	0.5
59.01375	1.1
65.00327	0.6
67.01897	1.1
67.51322	0.6
69.03444	0.9
71.01392	3.0
79.01882	1.2
81.03474	0.7
83.01398	1.2
85.02937	1.2
95.01408	1.5
95.05037	0.5
95.81242	0.5
97.02959	1.5
99.81202	0.5
101.02455	1.6
107.01394	9.6
110.00072	0.6
111.00893	1.9
113.02446	1.4
122.03748	2.7
123.00907	10.8
123.04540	2.5
124.01747	1.3
125.02460	54.6
126.02797	1.3
136.98831	1.6
137.02483	1.2
137.06075	1.0
139.00395	4.8
139.04025	0.9
140.01183	3.7
141.01965	1.7
149.02499	1.5
151.00394	7.9
152.04813	19.0
153.02005	0.8
153.05560	1.6
167.03490	4.7
167.07169	7.2
168.00645	4.4
169.01443	66.7
169.13585	0.6
170.01785	2.1
179.03456	1.0
183.02995	1.6
191.03531	6.2
209.04559	8.0
211.02493	1.6
223.02470	0.9
224.50215	0.5
232.17778	0.6
239.05696	1.3
275.53546	0.5
297.06268	1.1
301.00122	1.1
313.05664	19.0
327.07266	1.2
329.08801	3.9
424.19684	0.5
481.13593	100.0
482.13956	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	481.1509
Annotation	SSR 125543
Peak:m/z	Relative Intensity
51.02392	0.3
63.07839	0.3
65.00321	0.6
65.10954	0.3
67.01907	0.5
68.99851	0.3
69.03455	0.9
71.01383	0.6
72.75967	0.3
73.32726	0.3
74.75657	0.3
79.01904	0.8
81.03448	0.5
83.01400	0.4
86.30267	0.3
95.01402	0.5
97.02961	1.0
98.22561	1.3
107.01401	59.5
108.01748	1.4
109.95003	0.3
110.00101	0.4
111.00898	2.1
120.44654	0.3
121.02978	0.9
123.00887	1.7
123.04527	0.3
124.01683	4.3
125.02459	100.0
126.02803	2.3
127.00407	0.7
134.03775	0.4
135.04501	0.4
136.98805	1.6
139.00403	3.5
139.04025	10.1
140.01190	3.0
140.04356	0.4
141.01936	0.3
159.04524	1.1
160.05305	0.7
161.06085	1.1
168.00641	8.9
169.01440	94.7
170.01772	2.8
175.07677	0.5
181.01436	0.5
183.03003	40.0
184.03381	1.2
191.80411	0.3
197.04552	0.5
230.16054	0.4
279.33459	0.3
301.18640	0.4
481.15073	85.7
482.15384	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	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48103	0.8
57.03452	0.9
59.01394	1.9
67.01888	1.3
71.01392	7.4
71.27552	1.2
73.02950	2.6
83.01382	3.0
83.05026	1.6
83.66578	0.7
85.02967	4.1
89.02465	1.2
93.03463	2.5
95.01410	3.1
97.02964	2.0
98.53645	0.9
99.00905	1.2
101.02451	5.1
101.77635	0.9
107.68977	0.9
108.02186	6.5
109.02972	34.4
109.03720	1.8
111.00899	4.3
112.89982	0.8
113.02477	3.5
123.00908	49.7
123.04551	1.8
124.01682	95.7
125.02432	3.4
135.08189	2.5
137.02469	4.7
137.99533	1.0
138.03305	4.1
139.00470	4.1
139.04033	100.0
140.01152	0.9
140.04384	3.0
152.01186	6.8
153.01958	25.3
153.09230	20.0
161.04568	4.6
161.05873	1.2
162.94588	0.8
169.01465	3.3
177.09317	1.0
181.05107	1.2
186.08472	0.9
197.08154	1.0
199.27911	0.8
203.07225	0.9
212.08887	1.0
212.42004	0.8
271.02390	4.9
297.13477	1.7
300.99918	0.9
301.09280	0.9
314.04187	4.3
327.45837	0.9
329.06622	8.2
349.23856	1.0
393.16312	0.8
421.21002	1.8
461.22400	0.9
481.17197	37.4
482.17545	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98867	0.5
53.33627	0.5
59.82997	0.5
61.98852	0.8
66.63245	0.5
67.01875	0.7
69.03455	2.1
70.59294	0.9
70.59635	1.0
78.95911	0.6
81.03471	0.6
95.01403	2.3
97.02973	2.1
107.03136	0.5
111.00843	0.7
123.00899	2.4
124.01689	5.5
125.02456	80.4
126.02808	1.7
139.00377	1.6
151.04010	0.6
152.99643	0.7
166.25566	0.6
166.99913	1.4
167.03423	1.0
167.10825	1.2
168.00641	10.0
169.01434	100.0
170.01715	2.8
211.02438	0.7
300.99640	0.7
313.05731	2.4
331.06808	2.1
377.41846	0.6
481.17139	50.1
482.17511	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	481.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.1
59.01367	2.0
61.98837	5.6
69.01495	0.9
69.01897	5.2
69.03451	1.9
71.01387	4.4
72.28883	0.6
73.02960	1.6
79.01888	0.6
81.03458	1.7
83.01419	0.7
85.02943	4.4
95.01396	4.3
98.22154	2.8
99.00874	1.3
101.02450	2.9
107.01397	2.5
108.02187	62.3
109.02976	43.4
110.03317	1.1
113.02451	1.8
121.02984	0.8
123.00903	5.6
123.04561	0.8
125.02466	9.6
133.02972	1.1
135.04518	2.1
139.00467	0.6
139.11272	2.4
140.01195	0.8
145.02960	1.1
151.00421	0.9
151.04019	1.1
152.01164	60.9
153.01958	19.5
161.02451	1.0
161.04619	1.1
163.00398	1.2
165.01935	1.1
166.99854	1.4
167.03506	0.7
169.01442	10.1
170.01775	0.8
177.01927	1.2
179.03529	1.7
180.11803	0.7
183.10252	2.0
189.01877	0.7
191.16728	0.6
201.02055	1.2
203.03574	0.6
212.72368	0.8
245.01050	0.7
247.02388	1.1
270.98965	0.8
273.00443	0.7
275.01923	1.2
299.99136	0.9
300.99930	5.3
315.07190	2.0
321.70227	0.7
405.55917	0.6
481.17197	100.0
482.17557	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.4
57.03453	4.4
59.01384	100.0
69.07454	15.5
69.07868	3.7
71.01389	56.6
73.02946	19.3
83.01396	7.8
85.02959	27.8
87.00873	2.7
89.02472	7.2
89.11118	1.5
89.20981	1.7
93.75385	1.8
95.01385	5.5
99.00892	10.1
101.02454	44.5
109.02962	6.2
113.02466	23.6
125.02466	5.6
127.11291	1.7
131.03516	44.7
143.03539	3.3
153.01952	5.1
159.02997	4.5
161.04573	31.6
166.05205	2.0
169.01463	4.3
201.57071	1.9
234.10852	1.7
289.16592	98.1
290.16968	7.2
302.03412	2.3
303.03534	2.2
310.40552	1.7
318.05988	2.5
421.20816	15.0
481.11508	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.10588	1.2
57.03436	3.1
58.00600	1.9
59.01383	88.0
60.01695	1.7
61.70552	1.2
69.07247	5.1
69.07670	8.0
71.01387	56.9
72.99300	1.6
73.02956	17.3
83.01383	7.0
84.28377	1.3
85.02958	26.2
87.00881	1.3
88.64378	1.2
89.02424	6.3
94.39192	1.5
95.01401	4.6
97.02960	2.8
99.00898	8.9
101.02445	48.4
109.02959	4.2
113.02450	24.5
121.67691	1.5
125.02453	5.3
127.11298	1.6
129.01901	1.3
131.02542	2.8
131.03505	40.0
143.03476	3.1
153.01949	4.2
159.03017	5.3
161.04582	32.1
166.66765	1.3
168.51152	1.4
169.01454	1.5
172.91469	1.5
185.68013	1.5
263.24985	1.3
271.02292	2.3
289.16574	100.0
290.16937	6.6
296.16385	1.5
302.03336	3.4
304.03610	1.6
313.05606	1.4
329.06848	1.8
360.89230	1.6
421.20728	13.4
422.21060	1.6
481.11078	2.5
481.17429	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	481.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10070	2.8
55.01875	5.7
57.03452	4.4
59.01385	36.5
61.98835	52.0
66.97527	2.8
70.06330	7.1
71.01384	75.1
73.02952	25.5
78.95895	4.5
83.01386	10.9
85.02963	29.3
87.00856	3.4
89.02452	10.8
95.01398	5.7
99.00908	9.0
101.02455	40.1
111.00925	3.1
113.02460	26.2
113.77771	2.5
123.00888	18.3
124.01672	38.3
125.02478	8.4
138.03226	3.3
139.04031	40.6
143.03546	4.4
152.99617	2.6
153.09184	7.0
154.93588	2.9
159.03059	5.7
161.04601	31.2
161.22426	2.5
169.01450	5.8
196.86067	2.5
265.19437	3.1
278.09372	2.9
289.16577	100.0
290.16776	3.4
361.30313	3.2
421.20847	60.8
421.26303	2.8
422.21167	5.3
481.17334	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	481.245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.6
65.00327	1.2
67.01893	1.5
67.94450	0.6
68.40041	0.6
68.99827	1.7
69.03460	0.7
69.71786	3.6
70.46639	0.6
71.01389	1.6
72.99319	1.4
74.64707	0.7
78.95918	0.9
81.03471	0.8
83.01389	1.9
87.00902	1.1
95.01382	1.1
107.01414	1.4
110.00120	2.1
111.00899	13.9
117.54794	0.7
118.30286	0.8
123.00919	2.4
124.01688	11.0
125.02458	19.4
127.00391	5.7
136.98805	10.3
139.00378	16.3
140.01175	23.8
151.00415	0.9
154.99902	1.8
168.00658	44.8
169.01442	25.1
170.01747	0.9
180.59296	0.7
193.01543	0.8
211.13397	1.8
289.14493	2.2
290.11905	0.8
303.34149	0.7
307.15530	4.8
329.23199	4.3
437.25269	3.4
481.24454	100.0
482.24835	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	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24361	0.8
70.13589	1.8
70.13979	1.9
78.95911	45.7
96.96969	4.3
152.99605	68.8
171.00662	18.8
177.06938	0.8
227.03249	3.9
245.04333	100.0
246.04663	2.0
253.21758	61.0
254.22107	3.5
481.25800	32.1
482.26294	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	481.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64441	1.0
59.63694	0.9
64.66405	1.0
70.42193	3.3
78.95911	45.9
88.37097	1.0
96.96976	3.9
111.42052	1.1
117.32464	1.1
150.96178	1.0
152.99612	53.6
171.00661	16.1
227.03130	2.7
229.44191	1.1
245.04335	100.0
246.04724	3.1
253.21754	59.4
254.22050	4.5
263.12735	1.0
333.06018	1.0
342.46432	1.2
481.25787	27.5
482.26147	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	481.2812
Annotation	Virescenoside O
Peak:m/z	Relative Intensity
55.01877	1.2
57.03440	1.6
58.00600	1.6
59.01386	24.3
69.03448	0.6
71.01390	24.7
72.99312	1.9
73.02952	5.8
83.01392	3.5
85.02963	10.3
86.00114	1.1
87.00886	1.6
89.02452	10.1
95.01400	2.2
98.22350	3.0
99.00890	3.0
101.02448	19.1
111.00906	1.0
111.04544	0.8
113.02467	8.5
119.03497	3.0
125.02440	0.7
130.38606	0.5
131.03395	0.6
161.04547	1.6
163.10033	0.6
169.01474	0.9
177.16129	0.6
179.05618	0.7
259.20660	0.6
301.21698	5.3
319.22830	3.5
320.23309	0.8
336.84271	0.7
434.55078	0.7
457.90433	0.6
481.28128	100.0
482.28448	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	481.2811
Annotation	Pierisformoside B
Peak:m/z	Relative Intensity
55.01873	2.5
56.75794	1.5
59.01387	21.3
70.01693	5.3
71.01388	22.4
72.99304	1.5
73.02960	9.0
76.85155	1.4
79.09888	1.3
83.01395	3.3
85.02966	11.8
85.16475	1.5
86.00123	1.8
87.00925	1.8
89.02435	6.2
93.03477	3.2
96.82706	1.4
98.22411	2.9
99.00885	2.1
101.02459	23.9
113.02480	10.4
119.03525	3.0
119.06858	1.5
125.02441	1.6
137.02444	4.3
143.03549	1.5
161.04521	3.1
167.08856	1.5
182.83075	1.5
187.53996	1.8
300.58267	1.8
301.21713	3.9
303.23444	3.4
319.22736	14.0
440.09219	1.7
458.55441	1.6
481.28107	100.0
482.28497	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	481.281
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
55.01855	2.5
57.03433	2.0
59.01388	12.8
61.98832	7.5
65.43975	1.0
70.83824	2.8
71.01388	22.5
72.58571	1.0
72.99319	2.3
73.02956	11.0
74.01270	1.1
80.30111	1.1
83.01373	6.0
84.78262	1.1
85.02955	13.6
85.11176	1.0
86.00089	1.8
87.00831	1.4
89.02443	1.5
90.29055	1.1
92.05067	24.6
95.01375	1.9
98.02487	2.4
99.00894	3.7
101.02449	24.5
113.02460	9.0
116.05057	1.7
125.02482	1.5
136.04050	23.9
157.86284	1.1
161.04588	6.1
169.01367	1.3
184.07689	2.1
228.06573	1.5
260.09641	1.1
300.99835	2.4
319.22794	28.5
320.23065	2.5
321.12567	1.5
360.75751	1.1
362.26544	1.1
392.58789	1.2
397.14099	23.3
481.28125	100.0
482.28586	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	481.2814
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
55.01858	6.0
57.03455	2.6
59.01381	14.6
70.51547	5.1
70.51904	6.3
71.01390	43.8
73.02946	15.7
83.01391	10.5
85.02966	27.4
89.02475	4.1
95.01390	6.6
99.00891	4.1
101.02455	33.9
113.02476	17.5
123.47203	2.6
125.02437	4.4
159.02962	2.8
161.04543	16.3
187.84973	2.7
259.20685	3.3
287.46378	2.9
481.28058	100.0
482.28458	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	482.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72373	1.7
55.01874	2.0
59.01369	6.6
61.98834	22.5
68.71284	1.4
70.03596	5.8
71.01396	10.9
72.99296	1.4
73.02943	4.2
80.66830	1.5
83.01354	1.8
85.02957	5.8
92.05070	98.7
93.05402	2.4
95.01367	1.9
98.02489	9.6
98.21841	1.7
99.00925	1.7
101.02479	13.3
113.02477	6.7
116.05074	4.0
123.04484	1.7
125.02448	2.3
136.04060	100.0
137.04417	2.2
158.09737	4.5
161.04601	2.6
169.01443	3.0
173.07207	2.9
174.05542	1.6
184.07678	6.3
185.06058	2.5
186.05565	2.8
199.05084	1.6
228.06700	5.1
239.61842	1.5
260.09277	3.0
263.49017	1.5
319.22763	9.0
320.23019	7.3
321.12460	5.2
365.11307	4.6
387.09961	1.8
397.14050	84.9
398.14554	9.0
481.21909	2.4
481.28162	23.9
482.28412	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	29.4
61.39969	9.1
61.98831	11.0
66.48519	9.4
67.19398	9.6
69.08782	100.0
71.01382	9.9
85.02916	10.3
89.02459	11.4
99.05949	10.7
101.02444	13.0
121.60194	10.0
121.63248	9.9
125.02492	14.1
130.92995	9.9
169.01440	14.4
194.30507	10.2
482.28534	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	29.4
61.39969	9.1
61.98831	11.0
66.48519	9.4
67.19398	9.6
69.08782	100.0
71.01382	9.9
85.02916	10.3
89.02459	11.4
99.05949	10.7
101.02444	13.0
121.60194	10.0
121.63248	9.9
125.02492	14.1
130.92995	9.9
169.01440	14.4
194.30507	10.2
482.28534	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22854	0.9
82.02986	1.9
90.03507	2.0
92.05070	13.7
96.95983	1.6
98.02505	1.0
98.21785	1.8
98.95615	1.6
99.92593	54.0
100.92646	1.9
100.93380	2.7
105.02220	2.3
109.93405	3.8
115.92091	27.4
116.05072	4.8
116.92873	100.0
117.03462	1.2
117.92906	6.0
118.02975	4.1
118.06640	4.1
124.42739	0.8
125.92899	12.1
126.93719	1.4
134.02496	3.4
136.04056	13.5
138.73727	0.9
141.92366	1.2
142.94479	0.8
146.06125	1.6
157.91852	1.7
162.01958	3.3
174.05586	1.8
174.97292	1.4
177.99799	0.8
189.95967	4.2
190.96838	3.3
191.97615	4.2
200.76669	1.0
203.95219	13.6
217.95512	23.7
218.96288	6.2
219.97040	7.8
220.97357	1.1
229.32990	1.1
229.98959	1.0
233.98524	1.1
243.97252	1.0
245.98555	0.9
246.99576	0.9
257.98642	3.0
259.96954	1.1
271.96600	1.3
272.97357	2.4
273.98010	1.5
274.98807	2.7
282.98062	1.1
300.99243	16.3
317.97235	0.9
328.98666	3.5
337.11874	2.4
346.00116	1.1
403.04016	8.3
415.70987	0.9
435.03024	2.2
483.05035	50.2
484.05182	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	483.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15963	0.5
62.56377	0.5
69.03442	1.4
69.17439	1.9
69.17861	2.1
70.84206	0.7
71.01360	1.3
73.02943	0.6
81.03459	1.0
82.71230	0.5
85.02968	0.7
90.91086	0.6
97.02943	2.2
101.02429	0.5
105.64441	0.5
107.01396	2.2
123.00878	1.8
124.01656	1.8
125.02454	72.9
126.02818	1.9
127.79411	0.4
137.02400	0.5
139.00415	0.9
140.01164	0.5
151.00342	1.9
168.00633	2.0
169.01431	100.0
170.01761	2.5
195.14247	0.6
211.02434	0.7
211.13750	0.5
241.03526	0.7
249.18001	0.7
253.03630	0.7
271.04468	0.6
313.05655	34.7
314.05835	2.0
324.49130	0.6
331.06686	4.8
366.39804	0.5
483.07809	25.6
484.08179	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	483.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59642	0.7
53.07891	0.7
54.49434	0.8
57.78120	0.9
59.01387	3.0
62.00508	0.9
67.01884	1.5
69.03453	1.4
69.21803	1.1
69.52734	1.6
69.53144	4.4
71.01383	3.1
72.99322	1.4
79.01876	1.0
81.03419	1.8
81.91850	1.0
83.01403	2.0
95.01410	2.5
97.02980	1.1
101.02452	1.3
107.01411	10.3
111.00903	4.9
121.02962	1.9
123.00916	7.1
124.01682	5.4
125.02460	95.5
126.02776	3.0
127.00362	1.9
136.98820	3.5
137.02464	3.0
139.00429	5.6
140.01166	7.6
141.02060	1.1
151.00380	5.7
165.01932	3.1
167.03502	2.4
168.00639	21.3
169.01443	100.0
170.01814	3.0
181.01422	1.7
183.03009	1.1
193.01434	28.9
211.02496	79.1
212.02850	3.0
241.03610	2.8
271.04626	52.3
272.05017	2.8
272.57413	1.0
287.07843	5.3
295.04611	1.2
313.05673	16.0
314.06018	1.4
331.06723	14.1
423.05594	1.5
439.08826	11.7
442.05905	0.9
465.06775	3.1
483.07840	48.1
484.08240	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	483.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89564	0.8
59.01389	2.4
63.73002	0.7
65.90714	0.6
67.01907	1.0
69.03465	1.6
69.35390	3.9
70.13148	0.7
71.01391	5.3
72.99274	0.9
83.01414	0.9
85.02966	1.4
95.01424	2.3
97.02963	1.5
99.00899	0.9
101.02489	1.5
107.01396	11.8
111.00877	1.9
113.02459	1.7
117.12772	0.9
123.00894	8.8
124.01681	2.6
125.02460	73.2
125.78313	0.7
126.02782	3.0
127.00394	1.3
131.81918	0.7
136.98830	1.1
137.02522	1.1
139.00401	4.1
140.01201	3.8
141.01956	1.4
149.02444	0.9
151.00385	8.3
153.01961	1.1
154.65887	0.8
165.01917	1.1
166.99918	1.0
167.03519	1.2
168.00627	9.2
169.01440	100.0
170.01787	3.3
179.03442	1.0
191.86496	0.8
193.01456	2.8
203.03519	1.1
211.02493	23.7
212.02907	1.4
241.03500	1.8
242.42924	0.8
253.03525	1.1
271.04608	25.0
272.05048	1.5
275.02429	0.8
300.99942	1.7
313.05685	38.0
314.06030	2.5
331.06711	6.0
378.12445	0.8
439.08414	0.7
483.07773	82.4
484.07983	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	483.0785
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01369	0.9
59.30585	0.3
60.16673	0.4
67.01920	0.5
69.03455	1.4
71.01382	1.3
79.01888	1.0
81.03460	0.7
83.01380	0.8
85.02964	1.6
87.17313	0.4
89.02447	0.6
95.01397	1.0
97.02965	1.2
98.21792	1.4
101.02467	1.1
107.01397	7.5
108.42584	0.4
110.07818	0.4
111.00868	0.5
113.02479	1.7
123.00870	2.6
124.01696	0.9
125.02458	70.2
126.02766	1.9
130.03914	0.4
137.00212	0.4
139.00378	1.8
140.01175	0.5
145.26601	0.4
151.00307	2.3
152.00845	0.4
167.03471	0.5
167.31860	0.4
168.00661	1.5
169.01434	100.0
170.01797	2.9
179.03488	0.5
183.02966	0.5
193.01419	1.4
198.53444	0.4
204.77910	0.4
211.02489	4.3
211.62366	0.4
253.03642	0.6
261.14532	0.5
271.04593	4.1
276.02338	0.6
277.02521	0.6
300.99893	0.9
303.00354	1.4
313.05673	3.5
331.06699	11.4
332.06937	0.6
483.07828	48.7
484.08173	4.6
509.22760	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	483.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
67.01899	0.5
69.03471	2.2
69.77731	1.4
71.01382	1.9
79.01900	1.0
81.03431	1.1
85.02970	1.6
85.84353	0.5
89.02432	0.5
95.01409	1.3
97.02956	2.0
101.02467	1.1
102.83229	0.4
107.01408	9.8
109.02991	0.4
111.00881	0.7
113.02457	2.3
123.00864	3.2
124.01727	1.3
125.02461	82.3
126.02769	2.2
136.98746	0.5
137.02443	0.5
139.00401	1.0
140.01152	0.7
151.00383	1.6
165.01987	0.6
168.00662	2.3
169.01443	100.0
170.01779	3.9
183.02925	0.6
193.01463	1.3
211.02516	4.1
235.45352	0.5
245.42870	0.5
271.04626	3.7
282.28320	0.5
313.05698	4.8
331.06720	15.1
332.07083	1.5
393.00665	0.5
422.28268	0.5
483.07788	52.8
484.08194	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	483.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07674	1.0
59.01384	2.6
66.22623	0.8
67.01893	1.5
69.03469	2.1
70.98840	1.0
71.01368	2.8
73.51705	0.8
89.02457	1.0
95.01396	2.2
97.02955	1.7
98.21825	3.0
101.02464	3.8
102.30787	0.8
107.01395	8.1
111.00884	2.4
113.02416	0.9
123.00900	10.9
124.01678	3.2
125.02462	78.8
126.02808	2.9
136.98807	1.3
137.02448	2.2
139.00391	4.0
139.03967	1.1
140.01212	5.3
151.00398	4.2
163.04047	1.1
165.01939	2.6
166.99870	2.0
167.03568	1.6
168.00667	11.0
169.01447	100.0
170.01790	3.3
175.03938	1.3
181.01498	2.9
183.02914	1.2
191.03658	1.1
193.01442	10.7
203.03484	1.4
205.05118	2.7
207.03035	1.0
211.02487	36.0
212.02747	1.7
217.01544	1.3
223.02489	1.1
235.02612	1.6
241.03468	2.4
247.02460	1.3
249.04062	1.5
253.03537	1.2
271.04620	22.0
273.00473	1.4
299.99258	1.1
300.99918	4.4
313.05643	7.9
331.06873	6.4
337.02097	2.6
374.02414	1.0
405.04684	1.7
423.05725	34.8
424.05963	3.5
483.07834	86.8
484.08334	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	483.0785
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01381	1.1
67.01883	0.5
69.03454	1.6
69.84932	1.2
70.56009	0.3
71.01380	1.7
79.01899	0.6
81.03461	0.8
83.01405	0.5
85.02948	1.1
89.02442	0.4
95.01397	0.7
97.02963	1.7
101.02437	0.9
103.66063	0.3
104.43036	0.3
107.01392	7.6
107.02068	0.6
111.00883	1.0
113.02468	1.5
123.00887	2.9
124.01646	1.6
125.02456	72.1
126.02808	1.8
136.98833	0.4
137.02417	0.4
139.00366	1.4
140.01175	0.7
149.93777	0.3
151.00375	2.0
165.01883	0.4
166.99817	0.4
167.03467	0.7
168.00659	2.6
169.01436	100.0
170.01779	3.3
171.94580	0.5
175.69434	0.3
179.03349	0.3
183.02925	0.4
193.01407	2.7
201.33580	0.3
211.02492	8.2
241.03520	0.9
253.03432	0.5
271.04617	7.1
272.04648	0.4
277.02472	0.5
301.00034	0.4
303.00287	0.5
313.05670	4.5
316.92740	0.3
331.06723	11.6
332.06891	0.6
332.13867	0.3
349.87552	0.5
423.05301	0.5
439.08691	1.0
483.07828	40.3
484.08221	4.2
505.82916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	1.8
68.99796	1.0
69.03449	2.1
69.21030	2.3
69.21452	3.7
70.00026	0.7
71.01393	4.7
79.01904	1.8
83.01391	1.7
85.02973	2.6
87.00885	0.9
91.31843	0.7
95.01413	2.1
97.02966	2.2
99.00916	0.8
101.02434	2.3
107.01402	9.5
111.00905	6.8
113.02470	1.7
119.04960	0.8
123.00904	17.4
124.01719	4.1
125.02464	83.1
126.02771	1.4
127.00390	1.5
136.98808	2.3
137.02425	1.1
139.00394	29.2
139.04012	2.7
140.01178	17.5
141.02003	4.6
149.99602	2.2
151.00392	9.9
153.01933	3.6
154.02748	15.2
155.03563	5.5
161.33296	0.9
165.01952	1.4
167.03604	1.0
168.00676	12.5
169.01450	100.0
169.05052	7.9
170.01762	3.3
183.02980	10.1
193.01364	1.3
211.02444	5.9
225.04051	1.1
241.03548	2.6
271.04636	2.8
285.06314	2.4
297.06247	2.6
312.05109	1.1
313.05649	24.9
314.06018	1.6
327.07202	6.1
331.06631	7.0
365.48331	0.9
439.09082	1.0
483.12006	95.5
484.12424	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	483.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66833	1.0
69.03425	1.0
70.15324	1.1
71.01388	2.4
81.02595	1.0
82.38029	0.9
83.01398	1.4
87.43922	1.0
95.01422	1.0
107.01406	6.3
110.22279	0.9
111.00895	5.2
113.02413	1.0
115.63908	0.9
123.00900	11.4
124.01706	3.5
125.02460	27.4
126.02876	1.3
127.54337	1.1
136.98810	2.2
139.00386	25.6
139.04053	3.0
140.01201	11.3
141.01958	3.8
151.00404	4.7
153.01909	3.2
154.02748	15.0
155.03543	4.9
168.00603	6.2
169.01450	29.0
169.05080	5.5
183.02985	9.2
211.02460	1.2
225.04085	1.4
285.06219	3.8
313.05688	7.5
326.26019	1.0
327.07202	6.4
438.79807	1.1
483.11517	100.0
484.11938	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	483.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76586	2.7
52.69729	2.2
53.32060	2.1
56.81184	2.4
56.90442	2.0
57.25409	2.0
59.01383	13.6
61.98828	31.1
69.71561	9.9
69.74446	2.3
71.01384	12.0
73.02936	4.7
73.86065	2.1
74.49139	2.2
80.89317	2.1
82.62198	2.2
85.02937	6.3
87.04521	6.2
88.58759	2.3
89.02441	3.0
101.02458	6.7
107.01396	6.5
111.00861	5.6
113.02405	2.7
123.00883	24.9
124.01677	36.5
125.02455	31.5
137.09694	7.7
139.00420	3.9
139.04027	25.1
140.01227	3.1
140.81096	2.3
151.00375	5.2
155.10773	30.1
159.65117	2.3
164.18987	2.2
168.00655	6.0
169.01428	28.5
181.08682	4.1
199.09805	26.0
211.02570	12.5
237.51422	2.4
241.10811	5.1
271.04651	14.3
283.11884	9.3
290.17294	2.4
313.05710	2.8
315.18146	3.0
447.22360	15.0
483.18832	100.0
484.19223	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	483.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08660	0.5
53.98822	0.5
54.36442	0.5
54.62311	0.6
55.01873	0.7
56.88253	0.6
57.03452	0.7
59.01392	3.5
59.56568	0.6
61.17210	0.5
67.01894	1.8
67.91653	0.6
69.04218	1.2
69.04619	4.4
71.01051	0.8
71.01386	4.8
72.99301	0.8
73.02927	1.4
79.01876	0.9
83.01373	1.8
85.02973	2.9
89.02469	0.6
91.29115	0.6
92.58529	0.5
93.03503	0.8
95.01409	3.0
96.96021	1.5
97.02955	0.7
101.02466	2.5
102.19424	0.7
107.01418	4.5
109.02993	0.8
111.00935	2.8
113.02465	1.8
123.00899	17.4
124.01688	0.7
125.02464	21.3
126.02853	0.8
127.00404	1.1
134.03780	1.2
135.04543	0.9
136.98851	1.7
137.02469	2.6
139.00385	6.1
140.01176	4.8
140.35628	0.6
141.01962	2.3
151.00391	11.8
153.01927	2.0
155.03703	0.6
167.03516	1.1
168.00674	3.6
169.01453	26.5
178.02782	1.1
179.03520	0.7
184.70528	0.6
193.05043	3.9
211.02429	1.3
244.36560	0.6
271.04645	0.7
301.00198	0.8
313.05753	2.3
321.13544	2.4
351.23001	0.6
444.28064	0.6
465.89536	0.8
483.18799	100.0
484.19116	12.5
493.64529	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	483.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29166	0.6
59.01380	3.9
61.45229	0.6
67.01894	1.6
69.03442	0.8
71.01389	6.3
72.99325	0.8
73.02940	1.7
78.95903	1.3
79.01904	1.3
81.07092	0.7
83.01391	0.8
85.02946	2.2
89.02464	2.0
95.01403	1.6
97.02965	1.0
98.22550	1.4
101.02460	3.1
107.01407	7.9
111.00902	3.8
113.02470	1.8
123.00889	13.8
125.02463	27.9
127.00391	1.5
136.98788	0.8
139.00377	6.6
140.01178	4.7
141.01978	1.4
151.00377	10.6
153.01901	0.6
160.50221	0.6
161.04597	0.8
167.03455	1.6
168.00674	5.8
169.01442	41.3
170.01764	1.5
182.02533	0.7
211.02298	0.8
239.42975	0.8
253.03601	0.8
291.18155	2.6
313.05597	2.4
423.22498	2.0
432.70825	0.7
483.18765	100.0
484.12524	1.3
484.19104	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	483.1874
Annotation	Globulusin A
Peak:m/z	Relative Intensity
59.01140	0.5
59.01388	6.3
61.98831	4.8
67.01888	1.2
70.62318	0.4
71.01383	5.4
71.27918	0.5
72.99293	1.1
79.01910	1.2
83.01397	1.2
85.02960	2.3
87.00858	0.5
89.02466	2.6
95.01390	2.4
97.02930	0.5
101.02453	2.0
101.60033	0.4
101.93818	0.6
107.01402	5.5
109.02908	0.8
111.00891	3.6
113.02439	1.7
114.82407	0.4
119.03506	0.8
123.00901	14.8
124.01675	1.6
125.02458	26.0
127.00375	1.3
136.08411	0.4
136.98804	2.0
137.02461	1.0
139.00401	5.3
140.01172	6.5
141.01909	1.8
145.03009	0.5
151.00395	9.2
155.03526	3.1
166.69409	0.5
167.03481	0.9
168.00662	8.2
169.01443	36.5
170.01770	1.1
192.71210	0.5
211.02493	23.2
212.02695	1.0
220.93198	0.5
223.02467	0.5
241.03630	0.8
271.04593	21.9
272.04889	1.2
313.05664	1.3
331.06705	1.1
401.10898	0.5
483.18756	100.0
484.19141	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	483.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38034	0.3
53.90300	0.3
54.45049	0.3
57.03464	0.4
58.35278	0.3
59.01377	1.0
61.98833	3.6
69.03458	0.6
69.25571	2.4
71.01375	1.1
85.02953	0.7
95.01375	0.6
101.02466	0.8
103.53867	0.3
107.01409	0.7
108.02180	1.0
109.02956	0.5
111.00883	3.2
113.02447	0.7
114.87045	0.3
123.00896	2.0
124.01694	0.4
125.02473	3.2
126.02747	0.3
131.03505	0.3
136.98843	0.4
137.02496	0.3
139.00388	9.0
139.11327	0.6
140.01170	88.4
141.01466	2.0
151.00401	1.0
152.01128	0.4
152.51511	0.4
153.01982	2.1
154.02693	1.7
155.03517	100.0
156.03853	3.1
165.01962	0.6
166.02844	0.3
168.00659	0.8
169.01465	3.3
183.10313	1.4
289.16733	0.4
291.17056	0.4
299.07721	2.0
313.05716	0.4
317.08731	1.5
483.07959	0.5
483.18777	13.6
484.19327	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	483.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58089	0.6
57.63485	0.6
59.01381	3.5
60.84605	0.7
67.01866	0.9
69.55902	1.1
69.56310	2.9
69.77314	0.5
71.01392	4.3
73.02944	1.4
78.31168	0.6
79.01885	1.4
83.01376	0.9
85.02963	2.8
92.19112	0.6
95.01391	2.0
97.02951	0.7
98.54329	0.9
99.00906	0.6
101.02457	3.1
105.05449	0.7
107.01402	4.9
109.03008	1.1
111.00878	5.1
113.02439	1.3
123.00900	15.8
124.01743	0.8
124.04075	0.8
125.02463	18.8
127.00432	1.1
136.98842	1.0
137.02486	0.7
139.00394	12.0
140.01186	25.1
141.01912	2.2
151.00395	11.8
153.01961	2.4
154.02730	2.7
155.03513	20.5
159.30188	0.6
163.04073	0.6
167.03510	0.7
168.00633	2.9
169.01443	21.7
176.79913	0.6
179.03487	0.9
183.10255	0.8
211.02411	1.1
224.92152	0.6
313.05713	1.6
396.92038	0.6
468.64676	1.1
483.18790	100.0
484.19095	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	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60157	2.9
54.60291	2.4
55.01863	3.5
59.01384	34.3
61.98840	3.1
63.37829	2.5
69.13003	24.3
71.01392	49.2
73.02953	13.6
83.01387	9.7
85.02956	23.7
88.87158	2.8
89.02443	7.3
90.45499	2.6
95.01418	5.7
99.00896	7.8
101.02455	40.5
107.01414	7.3
113.02443	17.2
123.00895	8.4
125.02464	26.0
131.03531	2.4
139.00418	5.2
140.01207	4.2
143.03474	3.2
151.00381	7.0
159.02910	3.2
161.04565	14.8
168.00647	2.9
169.01428	28.9
199.83745	2.6
291.18170	100.0
292.18423	6.8
423.22400	62.5
424.22675	4.6
483.18759	66.5
484.19107	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	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47572	0.3
66.16962	0.3
67.51751	0.3
67.92704	0.3
70.92924	0.4
78.95907	8.6
78.96348	0.6
83.46073	0.3
84.44833	0.3
93.03094	0.3
96.96971	0.8
106.91209	0.4
124.88330	0.4
125.02469	0.4
152.99605	16.5
169.01384	0.4
171.00670	1.7
227.03215	3.6
239.34731	0.3
245.04388	1.2
255.23311	100.0
256.23660	7.6
277.74335	0.4
341.04608	0.3
352.14627	0.3
483.27295	25.7
484.27469	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	484.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84596	1.1
57.03454	1.3
59.01385	2.4
61.98838	15.0
69.03622	11.0
71.01371	5.4
79.79189	1.1
83.01394	2.7
84.97330	1.2
85.02975	1.1
86.66281	1.1
89.02480	1.7
95.01427	2.3
97.56969	1.1
101.02487	3.4
107.01400	4.5
111.00893	3.2
113.02444	1.4
123.00912	15.1
125.02462	25.3
137.02432	2.5
139.00374	5.5
140.01163	4.5
141.01976	2.0
151.00388	14.2
151.04041	2.3
153.01942	1.2
161.02473	2.0
162.53693	1.2
168.00674	3.0
169.01451	28.4
170.01785	2.2
301.00003	1.7
313.05762	2.8
333.06042	2.0
368.14706	1.4
369.54541	1.2
421.11438	100.0
422.11841	8.3
484.19363	1.4
485.16757	4.7
488.86514	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	484.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	42.3
70.65791	13.8
71.01407	13.7
71.27167	32.0
84.92101	14.2
125.74879	13.2
150.85625	16.3
160.84270	30.0
162.83922	100.0
169.01421	23.0
292.29886	14.9
383.44717	15.5
472.90927	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
63.27987	1.0
65.00327	7.9
68.76881	1.0
70.09044	3.5
70.09396	1.3
71.01360	1.9
77.09324	1.0
83.01399	5.6
93.03485	1.2
95.01379	2.3
97.02963	3.3
98.22433	1.4
103.05793	1.1
107.01402	12.3
109.02951	8.6
111.00859	2.0
119.09903	1.0
121.02966	4.9
123.00877	3.4
125.02457	24.7
126.02831	2.3
133.02917	1.5
134.38493	1.1
135.00865	1.7
137.02470	3.9
139.03999	1.3
145.02963	5.7
149.02431	4.2
151.00380	24.4
151.04010	3.7
153.02046	1.1
159.04517	8.5
161.02394	2.8
161.06082	3.9
163.00401	15.6
164.00999	1.7
165.01952	12.9
169.01443	27.9
170.01720	3.4
175.00381	2.4
175.04070	1.7
177.01959	5.6
181.01416	12.4
183.04500	3.0
185.06075	4.9
187.04027	10.5
193.01389	3.9
201.05586	3.6
203.07097	2.2
205.01349	1.6
205.05034	3.6
207.04335	1.3
209.06030	2.2
211.03987	4.1
225.05537	3.2
227.03485	2.4
227.07098	1.8
229.05087	12.8
231.02986	2.2
245.08160	1.3
247.02505	1.2
247.06039	3.2
251.03500	3.7
252.04333	1.5
253.05077	14.4
255.03201	1.5
256.00177	2.6
269.04471	1.6
271.02597	2.0
271.06134	6.2
282.01733	2.3
289.07077	5.8
297.04071	23.1
298.04410	2.1
300.02771	3.8
300.99780	1.1
301.03513	2.8
315.05142	71.4
316.05472	4.3
333.06186	100.0
334.06537	5.6
429.30365	1.2
447.09183	5.6
485.07169	2.8
485.20001	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	485.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97562	0.9
57.03442	1.8
57.93488	0.9
59.01377	3.2
65.00332	9.5
69.03453	1.1
71.01381	3.3
71.26983	1.3
81.03422	1.4
83.01399	4.4
89.02481	1.7
93.03476	1.7
95.01395	1.5
97.02985	4.1
101.02466	2.0
107.01392	8.4
109.02966	9.6
110.63712	1.1
111.00855	2.5
113.02450	1.7
121.02973	5.3
123.00917	4.4
123.04543	3.2
125.02464	26.0
133.02946	1.3
137.02504	6.0
139.00394	2.8
139.04028	1.6
145.02991	3.4
146.03758	1.2
149.02438	4.1
151.00386	25.9
151.03983	4.3
154.02730	1.4
159.04549	7.1
161.02478	1.5
161.06081	3.1
163.00389	19.2
163.04022	1.0
164.01105	1.3
165.01956	14.2
168.00636	1.5
169.01440	26.4
169.05098	1.4
170.01857	1.1
171.10246	1.8
174.03235	0.9
175.00395	1.7
175.04060	1.1
177.01959	4.0
178.99857	3.5
179.03413	1.0
181.01428	12.6
183.04509	2.1
185.06071	4.9
187.04030	9.6
189.01958	1.0
189.99054	1.4
193.01440	2.3
197.19177	1.0
201.05608	3.0
203.07222	1.1
205.01471	3.0
205.05067	3.5
209.06081	2.3
211.04086	2.2
213.01993	1.6
225.05537	2.4
227.03595	1.8
227.07230	2.0
229.05057	10.5
230.02174	1.0
231.02969	3.7
235.03963	1.3
245.08023	1.1
247.06078	3.0
251.03529	1.9
253.05098	10.9
255.02881	1.4
256.00204	2.5
256.03534	1.0
271.02469	1.7
271.06247	4.9
273.04041	2.3
282.01605	2.0
289.07294	7.7
297.04080	15.6
298.04352	1.4
315.05124	66.2
316.05527	4.7
323.11401	2.8
333.06189	100.0
333.15298	10.7
334.06543	6.9
352.16626	1.2
379.15991	1.0
380.16061	1.5
412.83017	1.2
459.02188	1.0
484.20163	1.5
485.07159	3.0
485.16287	18.0
486.17068	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	485.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38281	0.5
56.27715	0.5
56.86676	0.6
57.03440	1.6
63.02385	0.7
65.00328	7.1
69.04148	1.7
69.04563	3.8
71.01378	0.5
80.96912	0.5
81.03476	0.7
83.01402	4.7
93.03471	2.4
95.01405	1.5
97.02946	5.5
101.93667	0.5
107.01410	5.7
109.02964	13.5
111.00957	0.8
119.01431	0.9
121.02962	7.4
123.00877	3.1
123.04527	3.3
124.01622	0.7
125.02457	19.9
131.01393	0.5
133.02919	1.3
135.00914	1.8
135.04631	0.6
137.02473	5.6
138.03256	0.6
139.00490	0.5
139.04065	2.6
140.01215	0.7
141.01886	0.6
145.02968	1.9
146.03696	1.2
149.02467	6.3
150.99184	1.1
151.00385	20.2
151.04034	5.4
152.00647	0.8
153.01906	0.5
157.06598	0.7
159.04552	4.8
161.02499	2.7
161.06090	4.0
162.03241	0.7
163.00392	17.8
163.03954	0.8
164.01079	1.8
165.01958	17.2
166.02310	0.8
169.01439	14.5
169.94077	0.5
170.01759	0.8
175.00395	1.7
177.01939	7.8
179.03539	0.7
181.01428	10.7
183.03075	0.9
183.04573	1.7
185.06105	4.7
187.03998	6.9
188.04817	0.8
189.01862	0.6
189.99103	1.2
193.01442	1.9
199.07509	0.7
201.05612	3.3
203.03519	0.7
203.07060	1.8
205.01387	2.9
205.05070	3.4
206.02249	0.7
209.06088	2.0
211.04045	1.9
225.05646	1.3
227.03543	1.8
227.07097	2.0
228.04352	0.6
229.05077	11.6
230.05434	0.8
231.02989	5.0
235.03963	1.1
243.06619	0.9
245.08211	2.3
247.06131	4.9
251.03584	0.8
253.05098	7.2
255.03070	1.0
256.00110	1.7
269.04453	1.2
271.06146	4.7
273.04077	2.4
274.01202	0.6
282.01825	1.6
287.05728	1.4
289.07193	9.8
290.07498	0.6
297.04041	13.9
298.04437	0.6
300.02783	0.7
311.67996	0.5
315.05127	60.2
316.05527	5.0
333.06186	100.0
334.06506	7.0
356.01483	0.6
485.07852	0.8
485.20389	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	485.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
69.03444	1.6
71.01379	0.5
71.26290	0.4
78.95918	0.3
81.03451	0.5
83.01408	0.4
95.01446	0.9
97.02964	1.2
106.81639	0.3
107.01381	0.7
115.00409	0.4
123.00935	0.9
123.04599	0.4
124.01656	1.0
125.02463	53.2
126.02806	1.6
139.00348	0.5
151.00407	0.8
163.00443	0.7
165.01993	0.4
169.01445	100.0
170.01778	3.3
171.01921	0.3
175.04073	0.4
177.01903	0.4
178.99855	0.6
181.01506	0.3
187.03955	0.4
213.01979	0.3
227.03488	0.4
263.12885	1.1
297.04041	0.4
300.99908	0.6
302.00177	0.3
308.06863	0.3
315.05069	2.0
331.06793	0.6
333.06223	2.6
468.54645	0.4
485.06375	0.6
485.13095	3.3
485.19562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57674	0.5
57.12378	0.5
59.01377	1.5
67.01887	0.8
69.03466	1.7
70.58041	0.8
70.58374	1.1
71.01411	0.6
79.01886	0.8
81.03473	1.3
83.01392	0.7
90.37177	0.6
95.01410	1.4
96.96040	1.5
97.02970	1.9
101.02482	0.7
107.01410	2.0
109.02961	1.0
109.06598	1.2
111.00869	0.7
123.00906	2.8
124.01667	3.5
125.02461	100.0
126.02801	4.0
127.07678	6.5
139.00414	1.1
151.00345	0.6
151.04068	0.6
151.07744	0.8
165.02052	0.6
166.99821	0.8
167.03548	0.9
168.00673	5.6
169.01443	79.4
170.01775	3.6
171.01900	1.3
171.06651	4.3
173.02390	0.6
175.04065	0.7
177.05583	3.9
192.03717	0.6
193.01489	0.7
193.78229	0.7
195.06607	1.6
203.03474	0.7
211.02489	1.3
217.01480	0.6
219.06700	0.9
231.02948	0.8
237.07677	1.4
245.00768	0.9
247.02443	2.0
249.03957	0.6
255.08852	1.2
269.01016	0.6
269.06787	1.1
273.00381	0.9
275.02020	0.9
287.07703	1.9
300.99826	3.8
302.00110	1.6
313.05701	0.9
313.38757	0.5
314.84958	0.6
315.10916	2.9
331.06836	1.4
337.07321	0.6
441.14047	20.1
442.14279	2.6
467.12021	0.8
474.88297	0.7
485.05878	0.7
485.12949	14.3
486.13547	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	485.1306
Annotation	Plumiepoxide
Peak:m/z	Relative Intensity
57.03446	1.9
59.01128	1.5
59.01386	16.0
61.98841	1.3
65.00338	2.0
71.01390	9.5
72.87331	1.0
72.99291	2.0
73.02934	1.4
80.20576	1.0
82.95393	1.0
83.01392	2.4
85.02944	2.9
85.80790	1.0
89.02455	5.2
95.01401	1.7
101.02444	4.4
107.01402	2.6
113.02453	3.1
119.05001	1.3
123.00871	2.2
124.01663	3.0
125.02467	17.6
133.02982	1.5
151.00394	9.3
152.01137	4.4
161.06075	2.0
163.03947	1.0
164.01151	1.8
168.00566	2.3
169.01471	7.3
177.01929	8.0
178.99869	7.3
185.06122	1.8
190.02646	2.0
191.03622	1.4
193.08594	1.2
201.05629	1.5
203.03491	4.0
205.01430	37.9
206.02245	14.4
207.02464	1.4
211.04129	2.2
217.05078	9.4
218.02223	3.3
219.03026	14.3
219.06499	1.7
220.03859	1.4
221.04628	1.6
227.03410	2.1
229.05109	8.6
230.71805	1.1
231.06625	10.3
233.04628	3.7
238.23888	1.1
246.05252	2.4
247.05981	2.5
248.06583	1.4
261.07706	5.3
262.04718	1.2
263.05554	4.2
266.06082	1.6
272.03433	1.3
273.03995	2.6
276.11243	1.1
277.07205	12.1
278.07599	1.3
279.08694	1.1
290.04285	5.0
291.05121	2.2
305.06738	25.5
306.06943	2.1
323.07767	30.1
324.08575	4.7
365.08676	3.9
441.14096	9.8
467.12131	1.9
485.12985	100.0
486.13135	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	485.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34740	0.8
55.57914	0.7
55.87705	0.7
69.03468	1.9
71.27079	1.6
78.95906	2.9
83.01397	1.4
93.27112	1.0
95.01419	1.5
96.96024	21.5
97.02996	1.4
107.01401	2.8
109.06565	0.9
111.00900	1.4
123.00901	3.1
124.01671	2.9
125.02462	98.7
126.02819	3.8
127.07688	5.2
139.00420	1.6
151.00362	5.6
166.99808	1.2
168.00661	5.8
169.01440	100.0
170.01793	4.2
171.06639	3.1
175.02470	0.8
177.05629	2.7
195.06711	1.5
205.05173	1.0
237.28920	0.8
245.00835	1.3
247.02338	1.8
273.00720	0.9
275.01761	1.2
287.07785	12.1
300.99847	2.2
315.10858	1.5
326.73746	1.2
331.06717	21.4
332.06714	1.3
336.77008	1.0
441.13983	20.2
442.14459	1.6
485.13083	19.0
486.13489	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	485.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57337	0.7
57.03413	0.8
57.15038	0.6
59.01384	36.8
61.52568	0.7
69.03491	5.4
69.03899	1.7
71.01374	3.1
81.52959	0.7
85.02971	1.4
89.02432	1.3
101.02451	2.8
109.02934	1.4
109.06563	0.7
113.02449	4.1
119.03527	1.4
119.08709	0.8
121.06552	0.9
123.00907	1.1
125.02450	5.3
125.06088	2.6
135.04538	0.8
135.08170	0.9
136.05298	2.3
139.07716	1.2
149.86813	0.7
151.00430	0.8
151.07657	1.9
152.08450	1.6
153.09236	1.2
163.10233	0.7
169.01437	4.5
186.10582	1.1
189.09239	1.7
201.12863	9.0
203.10788	4.3
204.11572	18.4
205.11884	1.0
219.13899	22.4
220.14293	1.5
228.11497	1.0
243.13860	1.1
245.11880	3.2
260.34619	0.7
263.12900	100.0
264.13290	6.9
277.14651	0.8
287.12875	3.5
305.13977	4.1
312.43286	0.7
313.05621	1.4
364.18713	1.5
380.16342	1.2
472.92551	0.8
485.10910	1.1
485.21246	5.9
486.20447	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	486.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67589	1.3
59.01411	1.4
61.98826	6.3
71.01393	3.2
78.45892	1.4
79.01891	1.4
85.02949	2.0
98.22553	3.0
101.02460	2.5
107.01392	6.4
108.02157	4.6
109.02952	9.7
113.02535	2.0
123.00902	9.2
125.02462	28.7
136.98801	1.8
137.04178	1.7
139.00377	4.5
140.01143	2.7
145.02988	5.2
151.00398	10.2
152.00729	1.7
168.00647	3.4
169.01442	45.8
170.01788	4.1
173.12985	1.4
211.02493	3.2
214.41541	1.5
241.03593	2.2
301.00009	2.2
312.35455	1.7
313.05713	6.7
317.35947	1.6
423.09375	100.0
424.09686	9.9
486.07938	2.4
487.14319	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	486.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	71.2
66.18750	5.7
68.94853	54.2
68.95254	11.8
69.03469	8.7
71.01382	100.0
72.73048	6.9
73.02945	12.8
74.73759	6.7
83.01399	10.9
85.02953	21.2
87.00892	8.7
89.02449	90.1
95.01395	11.4
96.96008	7.5
97.02956	11.3
99.00892	11.5
101.02446	25.3
107.01360	6.9
109.02876	6.6
111.00887	7.3
113.02463	22.1
115.00318	6.7
123.00813	8.2
125.02465	50.2
129.01894	7.1
131.03531	22.6
147.04543	6.0
149.04553	30.1
161.04572	20.2
163.00417	19.2
169.01450	26.2
175.02451	18.9
189.01913	8.5
190.99728	6.6
193.01454	9.3
203.03528	9.2
209.00954	17.4
219.02945	7.4
229.01486	8.2
233.06741	8.7
247.02408	22.1
273.00476	9.2
275.01987	17.6
293.08786	96.0
294.09372	6.8
300.99899	33.0
302.00183	5.9
391.03461	6.8
426.14349	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	486.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82920	0.7
57.75565	0.5
59.01381	1.4
61.98835	100.0
69.62552	3.2
86.53651	0.6
100.76065	0.6
117.03528	0.8
125.02482	1.1
145.02959	1.7
166.02783	1.0
181.05075	3.0
182.05455	1.0
192.19350	0.7
198.76273	0.5
250.05049	0.7
258.41635	0.6
287.09412	2.4
288.09723	2.4
314.00824	0.8
329.03101	0.9
342.61597	0.6
376.11093	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	487.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26610	4.1
57.57307	3.5
59.01377	30.2
61.98837	5.6
71.01389	11.5
85.81517	3.9
86.09556	3.5
88.18403	4.2
89.02454	12.5
95.01394	5.3
96.78038	4.1
98.21726	7.5
101.02466	8.0
107.01422	9.2
113.02480	8.0
119.03500	5.5
123.00908	16.8
125.02467	80.3
131.03403	4.1
137.02475	7.0
139.00441	8.9
141.02019	4.8
151.00386	19.1
151.04089	3.7
163.03944	5.6
165.01915	8.8
168.00650	9.2
169.01456	100.0
170.01740	6.6
176.12779	3.6
179.05566	5.0
194.07227	3.6
211.02493	15.9
229.01329	4.9
257.01093	7.2
268.07443	4.2
271.04639	18.6
275.02023	44.4
276.02396	5.4
300.99918	23.8
310.07199	10.0
311.08081	10.0
313.05743	16.0
326.10333	48.1
331.06747	4.4
451.08572	25.6
451.12955	20.1
487.14456	6.0
503.02390	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	487.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.8
59.01384	3.0
63.64909	2.0
66.88602	2.5
69.48979	12.2
71.01385	2.7
83.01400	6.0
87.33204	2.1
93.03452	2.3
97.02957	3.6
98.21848	3.9
107.05067	2.6
108.04572	2.4
109.02952	34.2
115.92088	3.2
116.92844	6.2
117.03481	4.8
121.02944	3.2
121.57928	2.2
123.04526	11.1
124.00633	2.5
124.54729	2.2
125.02460	65.0
127.29786	2.3
130.82306	2.2
133.02989	15.6
134.29352	2.2
135.04532	50.9
136.04021	4.6
136.55750	2.2
137.02457	85.2
145.02988	14.8
147.04599	4.9
149.02457	3.9
151.04005	9.6
153.01894	4.3
159.04552	11.6
160.04051	5.2
161.02455	51.6
161.06084	6.3
163.02754	18.2
164.01143	2.6
165.01984	3.2
169.01451	8.6
175.04034	2.6
176.03554	6.8
178.05103	100.0
179.03510	58.8
187.04018	4.9
188.04811	3.6
189.16003	2.0
203.03601	13.9
203.07118	8.7
205.05000	5.5
222.04094	76.6
245.08154	12.6
251.35132	2.4
269.08191	25.0
271.02774	2.4
271.06091	7.7
281.08286	2.3
289.04236	4.0
289.07202	48.1
290.07559	3.9
307.08054	3.1
307.33591	2.3
341.06909	2.5
451.10373	57.7
452.10712	5.0
488.12082	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	487.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.0
69.03465	1.7
69.88341	0.4
81.03461	1.3
83.01402	0.5
95.01385	0.8
97.02984	1.2
107.01420	1.1
109.02971	1.1
121.02977	1.8
123.00895	1.7
124.01670	1.2
125.02459	100.0
126.02785	2.6
137.02461	4.2
139.03929	0.7
143.05095	0.5
149.02448	3.0
157.06664	0.6
161.02370	0.6
163.00317	0.7
164.01158	1.3
165.01967	4.4
166.02705	1.3
166.99896	0.7
167.03493	5.6
169.01439	79.7
170.01758	2.6
170.03845	0.5
175.03984	4.0
177.01942	33.4
178.02309	1.5
191.03409	0.5
193.01392	0.7
197.04568	2.4
197.06143	0.5
198.03215	0.5
199.03975	1.2
215.03348	0.4
217.05104	2.1
240.62486	0.4
241.05128	2.2
259.68796	0.4
285.04047	4.8
303.05103	9.2
304.05600	0.7
317.06671	0.9
319.04559	4.0
320.05078	0.6
329.03024	2.2
335.07782	2.4
345.99768	0.4
425.27731	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	487.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49278	0.5
59.01362	1.7
60.07244	0.6
65.00314	0.9
70.01036	1.4
70.01426	1.3
83.01405	0.7
85.84908	0.7
103.22956	0.5
107.01392	1.5
109.02985	0.6
111.04478	0.7
113.46750	0.6
119.03672	0.6
124.32462	0.6
125.02436	2.0
135.00888	1.1
141.06729	0.9
151.00352	2.1
159.04488	0.7
163.00378	1.0
169.01459	1.9
171.04523	0.7
178.99861	1.3
179.03546	0.7
183.04555	2.6
187.04016	1.3
199.65015	0.6
209.11858	2.3
211.04074	3.2
212.04735	0.7
226.02644	0.8
227.03511	76.5
228.03850	5.1
229.04999	3.1
239.03502	1.0
247.58441	2.1
255.03000	100.0
256.03522	12.6
257.04507	2.1
269.04517	0.8
275.01843	0.7
284.03284	73.3
285.04010	41.3
286.04367	2.4
300.02780	1.1
365.62894	1.4
441.08188	1.1
459.09348	6.6
487.08862	67.2
488.09296	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	487.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.5
68.16769	1.4
71.01396	15.1
79.01878	1.9
84.73415	1.5
85.02964	2.7
89.02446	13.6
90.68131	1.5
95.01397	2.2
98.21735	3.5
100.69706	1.6
101.02455	11.9
107.01404	2.9
109.78291	1.5
113.02475	4.3
119.03528	6.1
120.76175	1.4
123.00881	4.9
125.02463	20.8
139.00397	3.1
140.01163	3.1
145.02988	3.6
151.00385	3.0
168.00673	5.7
169.01440	24.4
173.08243	3.7
179.69405	1.6
180.51953	1.4
211.02487	19.8
213.04889	1.7
271.04630	27.3
280.49222	1.9
280.56177	1.8
289.07291	9.4
331.06662	2.2
335.13531	16.5
469.13574	2.0
487.14688	100.0
488.15085	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94041	0.2
51.11528	0.2
52.02238	0.3
54.24112	0.3
58.00578	0.3
59.01386	4.7
69.46538	0.6
69.46960	1.1
71.01388	4.2
72.99279	0.4
83.01389	0.4
83.87875	0.2
85.02936	0.8
87.00896	0.6
89.02455	5.3
94.46612	0.3
95.01410	0.3
97.02950	0.4
101.02448	2.3
109.02887	0.3
113.02483	2.1
117.03479	21.4
118.03791	0.7
119.03557	1.4
119.05038	4.0
121.02988	0.3
123.00907	0.7
125.02467	2.4
131.90959	0.3
132.24562	0.3
137.02443	0.4
141.26422	0.2
143.03561	0.4
145.02968	100.0
146.03302	4.5
149.02478	0.3
163.04025	7.1
164.01112	0.3
164.04335	0.4
165.01924	0.4
168.00630	0.3
169.01480	1.9
170.01828	0.4
179.05676	0.7
211.02321	0.3
216.43436	0.3
245.08189	0.4
257.04434	0.3
271.04868	0.3
275.01968	0.4
289.07233	0.7
300.99960	0.6
307.01508	0.4
307.08279	1.6
313.05554	0.3
313.44104	0.3
316.13614	0.2
325.03339	1.4
341.10886	2.9
424.09644	0.8
425.07126	0.6
451.12704	0.8
487.09027	0.6
487.14719	11.3
488.14969	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94041	0.2
51.11528	0.2
52.02238	0.3
54.24112	0.3
58.00578	0.3
59.01386	4.7
69.46538	0.6
69.46960	1.1
71.01388	4.2
72.99279	0.4
83.01389	0.4
83.87875	0.2
85.02936	0.8
87.00896	0.6
89.02455	5.3
94.46612	0.3
95.01410	0.3
97.02950	0.4
101.02448	2.3
109.02887	0.3
113.02483	2.1
117.03479	21.4
118.03791	0.7
119.03557	1.4
119.05038	4.0
121.02988	0.3
123.00907	0.7
125.02467	2.4
131.90959	0.3
132.24562	0.3
137.02443	0.4
141.26422	0.2
143.03561	0.4
145.02968	100.0
146.03302	4.5
149.02478	0.3
163.04025	7.1
164.01112	0.3
164.04335	0.4
165.01924	0.4
168.00630	0.3
169.01480	1.9
170.01828	0.4
179.05676	0.7
211.02321	0.3
216.43436	0.3
245.08189	0.4
257.04434	0.3
271.04868	0.3
275.01968	0.4
289.07233	0.7
300.99960	0.6
307.01508	0.4
307.08279	1.6
313.05554	0.3
313.44104	0.3
316.13614	0.2
325.03339	1.4
341.10886	2.9
424.09644	0.8
425.07126	0.6
451.12704	0.8
487.09027	0.6
487.14719	11.3
488.14969	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	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51009	0.5
57.03431	0.9
58.00587	1.1
59.01385	29.7
61.02105	0.6
69.24383	4.8
71.01390	16.0
72.28369	0.6
72.99313	1.9
73.02930	0.7
73.17802	0.6
79.01891	0.8
83.01384	0.9
85.02937	2.9
87.00881	0.7
89.02455	15.3
95.01410	3.7
101.02454	12.3
102.38753	0.5
107.01384	3.4
109.02954	1.5
111.00886	1.8
113.02457	7.0
115.50602	0.7
119.03502	5.3
123.00895	9.8
124.01671	0.9
125.02464	23.4
125.12413	0.6
126.02757	1.0
127.11317	0.6
133.03000	1.2
135.04517	2.4
136.98799	1.1
137.02486	4.9
139.00394	3.3
140.01164	2.6
141.01927	1.0
143.03508	0.7
145.02902	0.7
151.00418	4.5
151.04022	0.8
155.10858	0.8
159.04478	0.8
161.02409	2.1
168.00673	6.9
169.01445	23.7
173.11842	2.3
179.03523	2.8
181.49930	0.6
183.03023	5.3
211.02483	21.9
212.02824	1.1
245.08138	0.6
265.14682	0.9
267.06549	0.6
269.08386	1.1
271.04587	28.3
271.96182	0.6
272.05011	1.4
289.07257	1.5
331.06723	2.7
335.17123	14.1
336.17554	1.2
451.10284	1.6
469.17184	3.8
470.17093	0.6
487.18262	100.0
488.18600	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	487.3433
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.90898	0.6
66.55252	0.6
70.15713	0.5
70.77607	1.2
71.05013	1.7
90.04658	0.7
125.02464	1.2
127.06573	0.6
169.01418	1.3
229.43098	0.6
301.00018	0.8
427.32199	2.3
437.30383	0.7
443.35178	1.1
467.31583	2.2
469.26636	1.0
469.33252	15.4
469.39578	1.2
470.33560	2.3
487.34326	100.0
488.34744	12.6
503.38876	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	488.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74933	0.9
57.03433	1.4
59.01372	2.3
61.98836	68.0
65.67210	1.0
81.03473	1.3
83.01415	1.8
97.02937	1.4
107.01421	1.5
108.02189	1.4
109.02965	55.6
121.02950	1.2
121.29478	0.9
123.04549	4.3
125.02467	20.0
135.04506	1.4
136.01643	1.1
137.02469	7.7
139.03992	1.0
145.02946	3.5
145.80559	1.0
149.02435	2.3
151.04022	6.1
153.01953	100.0
154.02293	3.7
159.04576	1.6
161.06021	2.2
164.01196	1.3
165.01961	3.0
167.03482	1.1
169.01443	4.5
175.04041	1.6
177.01955	8.9
179.03479	2.4
185.06128	1.0
187.04001	2.9
195.30054	0.9
203.07143	5.1
205.05124	2.7
227.07150	1.4
229.15518	1.0
245.08209	8.7
253.05128	1.6
266.43689	1.1
271.06107	9.1
287.05734	1.9
289.07199	56.9
290.07480	4.2
315.01578	2.3
326.06506	1.2
342.41959	1.1
425.08862	17.3
426.09158	2.4
488.56061	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	488.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.26750	0.4
67.44109	0.4
69.27066	3.1
94.02966	1.0
101.21436	0.4
107.05037	0.8
108.04559	3.6
121.02953	0.6
122.06112	2.0
124.04060	1.8
125.02428	0.4
132.04538	1.2
133.03033	0.5
134.06071	0.4
135.04527	5.6
136.04041	5.2
137.02461	1.5
148.04062	1.1
150.05609	4.9
160.04039	6.1
161.02432	0.7
162.01944	3.1
163.02757	18.2
175.02745	0.7
176.03531	6.4
177.04233	1.4
178.05106	100.0
179.05458	3.9
204.02901	2.2
220.06139	0.5
222.04083	83.6
223.04387	3.5
227.03452	1.1
232.62457	0.4
255.02992	1.0
284.03281	1.0
289.07327	0.4
293.14728	0.4
366.08469	0.6
452.10886	0.6
488.12057	7.0
489.10818	1.4
509.49405	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	488.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
65.24690	0.4
65.76266	0.4
69.56834	1.9
69.57242	0.9
94.03002	1.3
97.76803	0.4
103.55353	0.4
107.05094	0.5
108.04557	3.3
120.04597	0.5
121.02962	0.8
122.06140	1.8
124.04069	1.8
125.02465	0.8
132.04625	1.0
135.04547	4.8
136.04045	4.9
148.04057	1.5
150.05640	4.1
160.04057	5.4
162.01929	3.7
163.02774	17.3
164.03116	0.8
169.01445	0.5
172.47491	0.4
176.03537	6.9
177.04285	1.3
178.05118	100.0
179.05438	4.0
204.03101	2.0
222.04102	77.6
223.04457	3.4
345.17969	0.5
488.12024	7.0
489.12515	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	488.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58774	0.2
57.03452	0.3
59.01378	0.6
61.98823	0.5
71.26842	0.4
73.02918	0.2
74.00755	0.3
74.79774	0.2
89.82033	0.2
93.03457	0.7
107.01393	0.5
109.02961	1.1
123.00886	0.4
125.02462	7.6
125.87549	0.2
126.02814	2.0
133.02971	0.4
135.04543	0.4
137.02457	0.7
138.02843	0.3
145.02951	0.3
146.03749	2.6
147.04529	0.4
148.03952	0.3
149.04831	0.6
159.04539	1.6
160.04063	0.6
161.02452	1.0
161.04855	0.3
162.03206	1.4
163.03978	0.5
169.01439	6.9
170.01767	2.0
173.02440	0.5
173.04614	0.5
175.03981	0.3
176.01126	0.4
177.01930	1.1
178.02274	0.7
185.06049	0.3
188.03510	0.4
189.04317	1.6
190.05078	1.5
191.05649	1.0
202.05055	0.4
211.07695	0.3
227.56775	0.3
237.05499	0.3
239.07080	0.8
241.05093	0.4
242.05913	0.4
249.05441	0.3
251.07135	0.3
253.05095	0.6
254.08215	0.5
255.06622	1.3
256.07504	0.5
264.04163	0.3
264.06924	0.6
266.05795	0.6
266.08334	0.5
267.06610	2.6
268.07382	1.5
279.06595	0.3
282.07764	3.4
283.04898	3.3
283.08578	1.3
284.05225	0.3
292.06161	0.7
293.07019	0.4
294.07767	0.7
295.08438	1.0
298.07300	3.2
298.10889	3.0
303.05280	0.7
304.05301	0.7
310.07233	25.9
311.07971	17.3
312.08337	1.1
325.09540	0.3
326.10345	100.0
327.06827	0.5
327.10703	8.8
343.06842	2.0
351.36053	0.3
488.09158	0.4
488.15753	4.9
489.19867	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	488.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01373	0.3
61.05361	0.2
61.98818	0.4
63.95161	0.2
70.30601	0.9
71.01391	0.3
79.48666	0.3
93.03471	0.4
95.01463	0.3
109.02962	1.2
119.01805	0.3
121.02999	0.3
125.02461	5.5
126.02826	1.2
135.04562	0.4
137.02466	0.4
145.02983	0.4
146.03758	2.9
147.04518	0.5
147.77853	0.2
148.04083	0.4
149.04814	0.6
159.04526	1.6
160.04042	0.5
161.02454	1.0
162.03212	1.7
169.01427	4.7
170.01796	1.2
173.02467	0.7
173.04530	0.5
176.01245	0.3
177.01921	0.9
178.02266	0.6
189.04326	2.1
190.05142	2.2
191.05609	0.8
202.05128	0.4
213.05585	0.5
225.05615	0.3
239.07126	0.6
241.05084	0.5
242.05835	0.3
253.05185	0.4
254.08206	0.6
255.06641	0.7
256.07385	0.4
264.06659	0.6
266.05862	0.5
267.06628	3.3
268.07321	1.1
281.06921	0.3
282.05133	0.4
282.07813	3.5
283.04941	3.4
283.08521	1.5
292.06104	0.5
293.06885	0.4
294.07593	0.9
295.08487	1.0
298.07364	3.1
298.10907	3.0
303.05252	0.4
304.05539	0.5
310.07233	25.8
311.07974	17.1
312.08344	1.1
325.05750	0.3
326.10352	100.0
327.06827	0.5
327.10669	8.5
343.06702	1.5
344.26736	0.3
488.09521	0.3
488.15781	4.7
489.20389	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	488.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92500	0.3
53.84476	0.3
57.03444	0.4
59.01375	0.5
61.98833	3.4
69.14699	2.4
71.01357	0.4
98.22541	0.6
98.93279	0.3
108.02165	0.5
109.02959	1.4
121.03008	0.3
123.00894	0.6
125.02460	3.7
126.02778	1.1
130.08698	0.5
137.02466	0.3
145.02974	0.6
146.03755	2.2
147.04526	0.4
148.04085	0.4
149.04813	0.6
151.00369	0.3
159.04541	1.7
160.04037	0.7
161.02454	0.9
161.04694	0.5
161.06038	0.4
162.03221	1.3
163.04004	0.4
169.01468	3.6
170.01776	1.2
172.13829	0.3
173.02490	0.5
177.01962	0.8
178.02345	0.5
180.04285	3.2
189.04234	1.7
190.05106	1.7
195.04958	0.4
195.06641	2.7
202.05060	0.3
211.02548	0.6
213.05681	0.4
239.07172	0.6
241.05077	0.6
242.06082	0.4
251.07118	0.6
253.05060	0.6
254.08183	0.6
255.06674	0.8
256.07428	0.7
264.06720	0.7
266.05814	0.3
267.06616	2.9
268.07291	1.0
281.04260	0.4
281.07043	0.5
282.07751	2.8
283.04895	3.1
283.08469	1.9
292.06259	0.5
293.06982	0.5
294.07776	0.8
295.08621	1.4
298.07318	3.2
298.10938	2.0
299.07904	0.4
310.07245	26.0
311.07977	15.7
312.08389	1.3
313.05621	0.7
325.09659	0.5
326.10355	100.0
327.10690	8.1
331.06723	0.5
362.60309	0.3
488.15506	3.2
489.15228	0.8
489.20132	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	488.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84606	0.6
56.02660	0.6
57.63785	0.5
61.98813	1.6
69.01447	4.3
69.01868	1.7
80.37688	0.5
93.03442	0.6
121.02927	1.0
148.04054	0.9
149.04884	1.0
163.04039	0.7
171.04527	0.6
173.02480	1.2
174.03139	0.9
176.04774	0.9
188.04797	1.3
190.05162	0.9
197.06052	0.8
202.02753	0.7
209.06035	0.7
211.07681	1.5
212.56387	0.5
217.05110	2.8
221.06050	2.3
222.06776	0.8
223.04088	1.1
223.07622	2.5
224.04800	0.8
225.05380	0.7
233.06184	0.6
237.05576	7.0
238.06250	2.0
239.07193	3.8
244.06145	1.0
248.04799	1.3
249.05582	6.4
250.06171	1.8
251.03474	2.4
251.07127	1.7
252.04063	0.7
265.05173	3.6
266.05838	2.4
267.06628	26.4
268.07040	2.0
270.11346	1.3
271.02481	2.1
277.05032	2.1
279.06671	3.1
281.08179	2.2
282.08920	0.8
293.04492	1.1
294.05325	1.3
294.08810	1.3
295.06146	76.3
296.06555	7.9
299.01968	2.5
308.06815	1.8
309.07742	4.8
310.08496	55.1
311.09039	7.2
314.04196	1.3
315.05124	2.0
325.10837	100.0
326.11197	8.2
336.06195	3.5
337.06815	0.7
351.08734	5.8
473.14645	1.3
488.17218	50.9
489.10440	1.5
489.17297	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	489.068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94396	0.3
59.01505	1.1
70.98512	0.5
71.01489	0.5
75.35635	0.3
76.84084	0.3
112.12037	0.3
125.02508	0.4
137.20300	0.3
143.04807	0.4
151.00490	0.4
160.01880	0.4
169.01501	0.6
172.01762	0.4
176.01282	0.4
176.75578	0.3
179.00014	0.3
188.01305	0.4
200.01315	0.8
209.11998	0.6
216.00786	0.9
227.03569	1.8
242.99370	1.4
243.03079	0.3
243.97527	0.3
244.00226	1.1
255.02994	2.8
256.03592	0.4
267.16010	0.4
270.98859	9.6
271.02454	0.9
271.99411	1.0
284.00000	0.6
284.03342	1.8
285.00806	0.5
285.04019	1.1
287.01682	0.3
298.98376	8.4
299.99124	99.1
300.99484	5.5
301.02811	0.5
306.07544	0.4
312.99878	0.6
314.00659	4.5
315.01477	100.0
316.01791	7.0
415.02548	0.5
447.05405	0.6
460.17395	0.5
489.06320	13.8
490.06699	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	489.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18045	0.7
57.17412	0.7
59.01403	4.1
60.55408	0.8
61.98816	3.0
70.71336	1.6
71.01368	1.7
73.02926	1.0
77.01826	0.8
85.02979	4.6
89.02423	0.9
91.86712	0.7
101.02457	2.3
107.01390	1.0
108.09902	0.7
113.02451	1.1
115.38107	0.8
118.98047	1.1
119.03532	0.8
123.00911	1.7
125.02440	3.5
139.47154	0.8
143.04601	1.2
145.02951	2.1
161.04541	0.7
161.56256	0.8
163.04031	0.8
167.95036	0.8
169.01440	4.2
187.00505	0.7
187.03989	0.9
191.01918	2.5
200.01166	0.8
209.11835	2.5
214.99834	1.6
221.12785	0.9
242.99406	4.6
255.02977	1.5
258.01703	3.7
267.15967	2.6
270.98880	49.5
271.01926	1.9
271.99289	2.6
282.98837	0.8
283.99673	6.9
285.00412	13.8
286.01208	7.1
298.98355	73.5
299.98984	12.0
300.02789	6.3
300.99844	2.7
301.03220	1.6
306.07590	1.1
312.99963	22.4
314.00699	61.5
315.01163	7.2
337.05612	1.0
489.06754	100.0
490.07068	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	489.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98203	0.5
57.27180	0.4
59.01381	1.3
70.60349	0.5
70.87064	0.5
72.37211	0.5
90.36219	0.5
104.81558	0.6
107.01394	0.9
148.01649	1.3
151.00394	3.4
163.00392	0.7
178.99870	1.7
197.66664	0.5
200.01288	0.7
212.61737	0.5
216.00710	0.7
227.03601	0.8
242.99324	2.1
243.02946	3.1
244.00169	1.4
254.02280	0.6
255.02931	7.8
270.98889	12.2
271.02502	17.7
271.99353	1.5
272.03000	1.6
298.98404	12.2
299.01749	1.3
299.99142	100.0
300.02768	30.2
300.99564	6.5
301.03506	11.9
314.00717	4.5
315.01505	87.7
316.01825	5.8
429.04340	0.7
447.09393	9.1
448.09827	0.8
471.33038	0.5
489.06876	14.5
489.10831	5.9
490.06799	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	489.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.8
68.99806	3.2
69.63574	1.1
69.73499	3.4
69.73907	1.8
71.01376	3.0
72.99304	1.3
75.00864	2.6
76.72852	1.0
82.78655	1.1
83.01382	2.1
85.02957	7.6
87.00844	2.2
90.84698	1.1
92.37333	1.1
95.01412	1.5
96.96037	5.2
98.21879	2.1
99.00901	5.7
100.88313	1.2
101.02489	1.5
107.01423	1.6
111.00932	2.0
113.02460	6.4
113.99599	16.0
115.00393	7.5
125.02461	7.1
127.00370	4.9
128.03578	1.2
129.01941	5.0
139.00362	1.2
141.01910	1.4
141.97281	3.7
153.02036	1.2
156.00642	1.5
156.99724	2.2
157.01392	5.2
169.01442	10.6
169.96768	2.0
170.01727	1.2
174.01691	15.7
175.02507	2.5
184.99124	4.8
193.01428	1.1
194.60689	1.1
202.08009	1.0
207.51646	1.1
231.59875	0.9
241.00169	3.1
277.02585	1.9
277.05652	31.1
278.06152	1.2
304.06119	2.5
319.06735	4.5
337.07788	100.0
338.08051	4.8
409.04501	4.2
429.06638	2.2
471.07892	1.4
489.08893	54.9
490.09424	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	489.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98831	0.3
65.00308	0.4
71.01376	0.6
71.26864	0.4
79.35282	0.3
89.02462	0.4
101.02485	0.4
107.01395	1.1
108.02198	1.0
109.02968	0.7
121.02943	0.7
124.01747	0.3
125.02425	0.7
134.86476	0.3
135.00876	0.6
143.04663	0.4
148.01707	0.9
151.00369	3.3
163.00363	0.7
169.01451	0.6
170.70003	0.2
172.01633	0.3
178.99837	1.7
183.04500	0.4
190.99919	0.4
199.04016	0.5
200.01201	1.3
201.01927	0.3
202.77951	0.3
204.85104	0.3
209.12024	0.3
213.60507	0.3
214.99962	0.3
216.00659	1.0
216.04337	0.4
226.02748	0.6
227.03513	1.1
227.12943	0.4
229.05035	0.4
242.99358	2.4
243.03003	5.0
243.05273	0.5
244.00136	1.5
245.04480	0.3
254.02327	1.0
255.03011	11.6
256.03510	1.0
270.98901	13.2
271.02499	24.0
271.99417	1.2
272.02933	2.3
273.03995	0.6
283.02448	0.4
283.99905	0.4
284.03229	0.7
285.04071	1.0
298.98401	14.4
299.01999	1.2
299.99146	100.0
300.02771	41.6
300.99524	7.1
301.03467	12.2
302.03824	0.6
312.99899	1.1
314.00677	5.3
315.01498	81.1
316.01788	5.7
342.03662	0.4
429.03891	0.5
429.08890	0.4
447.03812	0.5
447.09457	8.9
448.09558	1.3
489.06699	13.4
489.10907	8.5
490.07010	1.4
490.11176	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
63.02378	0.8
65.00311	2.2
65.22691	0.5
68.96545	5.8
71.01364	1.6
71.24534	0.6
83.01385	1.4
89.02446	1.2
91.01877	0.6
98.22629	0.9
101.02415	0.7
107.01407	4.6
108.02180	1.6
109.02956	2.9
121.02980	3.5
125.02464	0.5
135.00812	1.2
148.01680	1.9
149.02463	0.5
150.99181	1.0
151.00391	15.7
152.00784	0.7
159.04588	0.6
163.00406	3.9
164.01192	0.6
169.01421	0.7
178.99861	7.5
180.00375	0.6
183.04526	1.0
184.86501	0.5
187.03966	1.4
192.00638	0.6
198.03279	0.6
199.04060	1.0
201.11327	1.6
203.03534	0.5
211.03989	2.4
213.01961	0.5
215.03517	1.0
216.04408	0.5
220.56870	0.5
226.02734	1.5
227.03491	4.4
229.05045	1.5
239.03542	0.5
243.02989	11.5
244.03424	0.8
245.04549	2.0
254.02232	2.2
255.02998	29.0
256.03326	1.7
271.02509	60.5
272.03024	4.8
272.16193	0.5
273.03973	1.5
283.02548	1.7
299.02066	1.2
300.02774	100.0
301.03525	54.3
301.07111	1.2
301.10767	0.6
302.03909	2.9
429.07986	0.7
447.09467	3.2
447.22345	1.0
489.10464	51.7
489.26404	4.3
490.10968	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	489.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.3
60.09724	0.4
65.37346	0.4
69.09837	3.0
69.10255	0.9
73.51196	0.4
76.84363	0.6
85.04330	0.4
98.21759	0.8
107.01399	0.9
108.02227	0.5
109.02952	0.7
121.02991	0.5
125.02415	0.4
141.08768	0.4
148.01688	0.8
151.00400	2.4
169.01439	0.5
178.99895	1.6
200.01198	0.7
211.04010	0.5
216.00629	1.3
227.03522	1.0
242.99385	1.7
243.02983	3.4
244.00143	0.9
255.03029	7.8
270.98883	11.3
271.02502	16.9
271.99399	1.2
272.02878	1.7
284.03336	0.4
298.98389	13.7
299.01956	1.0
299.99139	100.0
300.02765	29.3
300.99500	7.2
301.03464	8.1
313.00012	0.9
314.00674	4.1
314.35925	0.4
315.01495	80.4
316.01810	6.1
316.05112	0.8
342.04132	0.6
400.11884	0.4
447.09442	6.9
448.09738	0.5
489.06735	12.9
489.10907	6.9
490.07065	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
65.00327	1.9
65.23837	0.8
76.72193	1.0
97.02962	0.9
98.22511	2.2
109.02964	4.0
121.02991	7.6
149.02490	0.9
151.00424	1.7
163.00488	1.3
165.01942	17.5
166.02350	1.0
175.03928	1.5
193.01384	4.5
199.04036	3.2
201.01953	1.5
215.03583	2.5
226.02757	2.3
227.03488	4.6
229.32935	0.8
229.78819	0.8
242.02086	1.2
243.03026	9.4
244.03564	1.2
254.02281	3.2
255.02986	3.3
269.04605	2.7
271.02496	84.4
272.02963	6.1
285.04080	2.6
287.05811	1.7
297.03998	1.4
299.02008	100.0
300.02646	23.5
301.03134	1.4
305.36346	0.9
314.04355	90.8
315.05112	90.8
316.05457	6.8
426.42603	0.9
429.08185	1.9
447.09317	6.3
472.03040	0.9
489.10413	47.3
490.10858	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
63.20560	0.4
69.05123	3.5
69.05535	0.8
71.01396	0.5
76.85306	0.6
98.21796	0.9
107.01419	0.7
108.02186	2.1
109.03009	1.0
119.05020	0.9
121.02991	1.3
123.00934	0.7
125.02470	1.1
134.03795	0.6
135.00882	0.5
135.04565	0.9
147.04582	1.5
148.01746	1.2
148.05305	4.4
149.06097	5.5
151.00439	1.2
162.05656	0.6
164.01099	0.4
175.04037	1.6
190.06448	1.0
192.06689	1.8
198.03186	0.5
199.03999	1.5
200.84325	0.4
204.06644	0.7
215.03563	0.7
216.04262	0.5
222.05371	1.2
223.07661	0.8
226.02678	0.9
227.03508	2.1
233.06131	0.5
239.07127	1.3
242.02208	1.1
243.02980	7.4
244.03781	0.5
250.06316	0.6
251.07159	1.7
254.02185	1.5
255.03008	19.5
256.03409	0.9
261.05569	1.0
262.06525	0.5
267.06662	3.1
268.07281	0.5
269.08279	2.0
270.01776	0.9
271.02499	43.2
272.02905	3.3
279.06613	4.8
280.07248	0.5
282.09140	2.1
294.09042	5.0
296.06680	1.0
297.07712	6.4
297.11362	7.9
298.01263	0.7
299.01996	6.7
300.02777	96.1
301.03140	6.5
309.11371	8.3
311.11661	1.3
312.09634	3.5
314.04355	0.8
315.05127	100.0
316.05487	8.0
326.14023	13.2
327.12192	7.7
353.10101	0.5
414.06104	0.6
429.08304	5.5
429.16901	0.7
447.09262	2.5
448.09521	0.4
460.17767	1.8
472.17728	3.8
475.16199	0.5
489.10626	4.5
489.20425	6.1
490.12408	0.7
490.18869	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	489.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60113	0.4
56.60834	0.4
57.03223	0.3
57.03453	3.5
59.01362	1.4
63.12020	0.4
67.01879	1.6
68.99806	0.5
69.03458	20.8
71.01386	33.1
83.01372	0.6
83.05038	3.3
85.02956	1.2
85.06588	0.5
93.03446	0.8
95.01381	1.8
95.05034	4.9
97.06605	1.6
99.62100	0.4
107.04996	0.8
108.02174	1.0
109.02950	1.2
109.06597	1.0
111.04573	1.1
113.09704	0.5
119.05022	0.5
120.75787	0.4
121.02939	0.4
121.06559	0.4
123.08161	1.3
125.02471	1.2
125.06033	0.7
134.03773	0.5
135.04549	0.6
159.04459	0.4
161.02501	1.0
167.10797	0.4
184.26625	0.4
232.74294	0.5
242.12971	0.4
246.98643	0.5
259.17065	0.4
265.21835	0.5
289.21725	0.4
291.19757	0.6
294.12222	0.4
299.23843	0.5
313.21936	0.6
313.25272	0.6
315.23276	1.3
329.25085	0.5
331.26379	4.1
332.26834	0.5
333.24332	1.1
339.23233	1.3
341.24792	1.2
355.26401	2.8
356.26572	0.4
357.24280	2.7
359.25931	1.9
371.26086	0.5
373.27515	5.0
374.27930	0.7
375.25470	4.3
383.26123	2.2
399.29071	0.9
401.26941	8.8
402.27365	1.0
409.27643	0.6
417.26462	0.8
427.28528	5.2
445.29590	1.4
489.28622	100.0
490.29007	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	489.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
57.34641	0.3
65.03965	0.4
67.01899	1.9
68.99827	0.3
69.03465	10.6
71.01385	31.9
72.01704	0.4
78.95905	1.6
80.70593	0.3
83.05042	2.1
93.03467	1.3
95.01390	0.6
95.05025	1.9
97.02943	0.4
97.06596	0.8
107.05033	3.8
109.02964	1.3
109.06601	0.9
111.04533	0.7
113.09741	1.0
115.05512	0.3
117.87591	0.3
119.05035	0.4
121.02920	0.5
123.08164	0.9
132.05811	0.5
133.02942	0.3
133.06598	0.5
134.03741	0.3
141.09227	0.5
143.05022	0.5
145.06621	0.5
146.03648	0.4
146.07265	0.3
149.09776	0.4
159.04497	0.6
163.14934	0.3
169.06595	0.4
231.17532	0.4
259.17084	0.8
278.62982	0.4
289.21890	0.7
293.21240	2.9
305.24774	0.6
313.21991	0.3
313.25455	0.4
315.23370	1.7
317.21140	0.4
327.06097	0.4
331.22791	1.3
331.26501	0.9
332.23615	0.4
333.24292	2.3
339.23315	1.6
349.23727	0.4
353.24872	0.7
355.26468	0.8
357.24304	2.0
359.25790	1.1
371.25861	1.6
373.27487	7.6
374.27783	0.8
383.25916	1.9
399.29147	1.2
401.21713	0.5
401.26993	10.0
402.27237	1.4
409.27420	1.3
427.28525	6.3
428.28671	0.7
445.29752	2.7
446.29727	0.4
489.28589	100.0
490.29028	12.7
490.36227	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	490.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26920	0.5
57.05386	0.5
59.01386	10.9
61.83522	0.7
69.03459	0.7
69.14829	0.6
69.15147	4.6
71.01386	6.0
71.73738	0.6
79.01901	1.0
83.01398	1.3
85.02958	2.0
89.02448	5.5
89.11987	0.6
95.01413	1.3
95.41688	0.6
97.03006	1.1
101.02459	3.8
107.01396	5.5
109.02963	3.0
111.00891	2.7
111.67246	0.7
113.02441	2.5
115.92966	0.5
119.03522	2.5
123.00895	9.4
124.01678	1.8
125.01534	1.3
125.02463	27.7
126.02813	2.0
127.00392	0.9
136.98822	1.2
139.00383	4.0
140.01193	3.5
141.01985	1.1
145.33923	0.6
147.70729	0.6
151.00391	6.3
154.43616	0.5
158.06117	5.7
159.04576	1.3
160.05365	0.6
161.06059	0.6
161.44044	0.6
165.02031	1.1
167.03522	1.0
168.00694	9.8
169.01448	34.9
170.01759	2.6
173.04582	0.6
176.07176	1.1
189.05542	1.1
192.06010	0.7
211.02509	35.2
212.02783	1.1
241.03444	1.1
243.03058	1.4
271.02396	13.8
271.04666	22.0
272.04916	1.6
275.22830	0.6
285.04086	1.1
286.04950	0.8
287.08423	0.6
299.02051	1.2
299.09369	0.8
314.00659	0.7
314.04346	12.9
314.11597	5.0
328.10782	1.4
329.06680	19.6
329.13940	11.3
338.12534	3.0
343.06870	1.1
344.07028	1.9
457.80252	0.5
490.13593	100.0
491.13928	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	490.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.9
61.98837	4.9
70.60327	4.1
71.01371	5.3
85.02976	2.3
94.79871	1.7
101.02431	4.0
108.02170	2.8
125.02466	6.1
127.11234	2.0
130.08746	15.0
135.04550	2.3
139.11227	2.8
145.02972	5.2
147.04559	4.4
148.05289	2.1
149.06102	3.8
152.49237	1.8
159.04381	2.0
161.06096	5.4
162.06868	9.8
169.01442	8.1
171.10289	5.4
176.08414	2.4
192.06667	3.3
192.99173	1.8
195.08168	2.9
202.33310	1.6
211.13367	8.7
223.07541	2.0
229.14417	18.3
235.07602	2.1
239.07187	2.7
249.05540	2.6
251.03416	1.8
251.07137	5.8
263.07181	3.3
264.07706	3.0
266.72403	1.9
267.06625	6.8
268.07336	2.9
276.07889	2.7
279.06674	8.5
280.07245	2.1
281.08118	4.7
282.08902	5.6
283.09738	4.9
293.04785	3.2
293.08218	8.0
293.21219	2.5
294.08234	2.6
296.10532	7.8
297.11313	14.8
306.07956	3.1
307.09610	2.9
308.10522	5.1
311.22220	2.1
323.08066	4.0
324.08694	5.1
329.23468	12.1
337.09525	2.5
338.10428	10.2
338.19751	6.2
354.13638	2.4
366.09537	2.1
414.13489	10.7
426.13367	2.1
430.12894	13.1
440.15128	4.5
442.12982	47.4
443.13571	5.8
445.15231	7.0
457.15295	42.0
458.15417	2.5
460.17676	48.9
461.17773	5.2
472.17673	100.0
473.17978	10.0
490.21454	9.8
490.27429	3.6
491.08823	2.0
491.21350	3.1
491.28601	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02547	0.7
55.15804	0.6
56.26204	0.6
59.01395	0.7
59.26751	0.6
61.98829	4.0
69.03006	5.4
69.03413	1.7
98.22462	1.3
107.01321	0.7
113.34048	0.7
121.03031	0.8
121.37347	0.7
145.03009	1.1
147.04616	0.9
159.49727	0.7
162.06894	0.9
164.87190	0.7
199.04013	0.8
227.03497	1.5
239.06885	0.8
243.03072	2.5
251.07088	1.0
267.06659	1.3
269.04480	1.1
271.02496	32.5
272.02911	0.8
279.06601	1.0
281.08157	1.2
285.04111	1.6
286.79135	0.7
293.08145	0.9
296.10477	2.0
297.11169	1.1
299.01993	62.8
300.02643	1.3
301.03061	1.9
314.04355	73.6
315.05112	1.0
316.05460	1.4
329.06686	100.0
338.10342	1.3
430.08267	1.4
430.13373	1.6
440.14963	0.9
442.12985	6.3
457.15240	5.4
460.17755	6.2
472.17770	12.1
473.17743	1.9
490.10315	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	490.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70894	6.3
53.71608	6.6
59.01385	60.3
60.47237	6.5
61.98826	38.7
67.99739	8.0
69.03432	7.8
71.01375	48.8
71.27454	7.8
73.02940	15.9
75.00896	8.4
78.91924	7.4
83.01418	9.7
85.02982	17.9
89.02457	34.0
101.02438	38.2
107.30370	6.6
113.02452	12.9
124.01934	7.3
125.02433	26.0
131.03534	14.6
145.02972	8.3
149.04588	8.9
161.04625	16.3
169.01492	14.6
232.44020	7.1
288.59491	6.8
300.99927	7.4
313.94470	7.6
315.18219	17.5
447.22342	100.0
448.22803	11.3
490.27600	18.4
491.28333	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	490.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82771	1.9
62.56154	2.1
63.47988	2.3
63.96231	10.3
68.68932	2.7
79.95756	7.1
80.96529	2.5
85.53495	2.3
91.05518	2.7
107.05061	2.5
118.06616	2.5
119.05038	3.3
121.06607	4.8
135.04539	10.4
137.06027	4.8
147.04558	3.6
149.06116	3.5
153.43434	2.4
194.09859	3.5
229.14763	3.2
252.98058	2.3
329.17874	18.8
330.18573	5.9
344.16440	3.0
346.18103	30.4
347.18582	4.3
360.14209	7.1
361.16888	100.0
362.17352	11.7
490.27631	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	490.9811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01469	1.3
50.89500	1.3
65.50568	1.5
69.93694	3.0
69.94070	3.2
71.94085	1.4
79.95746	2.7
85.02948	2.1
96.96022	81.3
101.02493	1.7
113.02369	1.4
125.02456	27.6
126.02772	1.6
152.98640	3.6
167.03365	1.7
169.01442	53.8
170.01797	2.8
180.98161	2.4
209.03087	2.0
241.00258	78.7
245.01248	1.4
247.02763	1.5
321.54492	1.4
331.06567	2.1
339.84460	1.6
411.02426	100.0
412.02917	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	491.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78823	0.4
54.75322	0.5
58.80534	0.4
59.01375	0.6
63.28273	0.5
65.79146	0.4
69.14896	1.0
69.15292	3.6
80.09692	0.5
84.70670	0.4
90.62823	0.4
96.78474	0.4
125.02441	1.4
130.00591	0.5
135.04482	0.5
166.44373	0.5
169.01431	2.0
175.04236	0.5
178.05104	0.9
185.99553	0.5
191.05334	0.5
197.99661	1.1
203.97542	0.5
213.98962	0.9
226.99792	0.5
241.98505	1.1
254.99362	2.5
257.00909	1.9
269.98090	28.6
270.98535	1.9
282.98907	1.2
285.00436	14.4
286.00851	0.7
297.97565	54.4
298.98029	3.5
300.99911	1.4
311.99326	0.5
312.99924	100.0
314.00284	7.2
328.02267	64.3
328.11948	0.8
329.02621	4.3
329.12424	2.6
357.92755	0.5
374.70105	0.5
383.41501	0.5
476.06091	8.0
477.06140	1.1
477.78281	0.5
491.08362	68.3
492.08710	7.1
501.97653	0.5
513.44299	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	491.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
60.01772	0.7
64.74370	0.7
66.11895	0.8
67.84709	0.7
69.12261	4.0
69.12683	2.0
71.01410	1.4
94.42883	0.6
98.21795	1.6
109.02971	1.1
111.98187	0.6
112.28005	0.7
125.02486	1.1
130.00513	0.8
136.75615	0.7
140.98759	0.7
169.01448	1.2
197.99580	1.4
198.53453	0.7
229.01430	1.3
241.98659	0.9
253.05013	0.7
254.99260	2.5
257.00922	2.3
269.98080	28.6
270.98260	1.2
285.00424	14.5
297.97577	55.2
298.98001	4.1
301.00021	1.2
312.99939	100.0
314.00241	7.2
328.02267	58.5
329.02652	4.3
330.45245	0.7
344.12674	1.6
359.15012	3.0
476.06073	6.2
491.08362	54.5
491.19678	2.0
492.08575	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	491.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84258	0.5
65.00333	0.5
68.94866	4.8
68.95192	0.9
97.30262	0.5
98.21626	0.7
107.01376	0.7
109.03000	0.6
120.00051	0.4
124.01682	1.7
125.06438	0.5
136.01682	0.6
137.02455	2.6
139.43370	0.4
151.00381	5.2
152.01140	1.0
159.55984	0.4
163.00377	1.3
164.01176	1.3
178.99893	7.0
185.95499	0.4
203.03589	0.9
214.02737	4.1
215.03471	0.7
215.53938	0.4
227.03419	0.8
232.03769	0.5
242.02219	4.2
243.02969	3.4
250.57846	0.4
259.02496	5.7
270.01712	6.7
271.02502	32.8
272.02805	1.9
287.01974	17.0
288.02631	2.2
299.01913	0.9
316.02255	100.0
317.02911	22.2
318.03384	1.5
365.95129	0.5
431.06339	0.4
449.07324	1.8
465.27713	0.4
491.08337	52.1
492.08716	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	491.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24021	0.3
59.01363	0.6
63.02371	0.4
65.00335	0.5
69.50863	0.6
69.51269	1.8
71.01387	0.5
83.01383	0.5
97.30204	0.4
107.01373	1.3
109.02937	0.8
111.77995	0.4
123.00875	0.4
124.01701	2.7
125.02451	1.2
131.11888	0.3
135.00897	0.4
137.02409	1.4
151.00375	4.1
152.01146	0.9
163.00368	1.0
164.01166	1.7
166.99832	0.4
169.01439	1.5
178.99879	7.3
180.00377	0.4
183.80225	0.3
185.02477	0.4
203.03461	1.2
214.02719	6.8
215.03427	1.1
227.03520	1.1
232.03940	0.5
242.02213	5.3
243.02953	4.4
244.03477	0.5
259.02457	7.4
260.03000	0.6
261.03986	0.5
270.01733	7.5
271.02493	39.3
272.02853	2.5
287.01999	22.2
288.02438	2.3
297.07031	0.3
300.02850	1.6
300.99734	0.7
301.03326	0.4
315.01636	1.0
315.05170	0.6
316.02246	100.0
317.02814	12.5
318.03403	0.7
473.07199	0.4
491.08353	43.5
492.08743	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	491.0836
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01377	1.8
66.79601	0.9
69.06200	2.1
69.06619	5.5
71.01393	4.8
71.93028	0.9
77.86343	0.8
85.02952	1.3
89.02438	1.0
91.01881	1.3
93.03448	0.8
97.02922	1.1
101.02413	2.3
107.01396	9.6
109.02922	1.7
111.00900	1.6
113.02460	1.6
123.00903	7.9
124.01682	1.1
125.02460	47.5
133.02939	2.6
137.02475	4.6
139.00357	2.9
140.01067	1.5
147.68494	0.8
151.00375	8.3
152.32063	1.0
157.76482	0.8
161.08267	0.8
168.00629	3.4
169.01443	70.2
170.01747	2.1
177.01952	100.0
177.05495	14.7
178.02252	3.8
183.11568	0.9
199.04001	2.1
201.01855	0.9
211.02391	1.9
220.55551	0.8
227.03545	2.0
241.03424	1.2
242.02080	0.8
243.02913	4.2
263.05518	1.2
271.02502	48.6
272.02762	2.8
278.99997	0.8
285.04050	2.3
286.04706	2.8
289.03391	1.2
299.01944	3.3
300.99844	1.2
313.05698	73.3
314.04187	25.7
315.04578	1.1
316.21613	0.9
329.06699	55.1
330.06946	3.5
339.10693	2.4
469.60690	1.0
491.08154	56.6
492.08548	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	491.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28701	0.2
57.03437	0.2
59.01389	0.6
61.98834	0.7
65.00325	0.4
71.01385	0.3
78.37805	0.2
83.01398	0.3
89.02422	0.3
91.01974	0.2
93.03526	0.2
96.96043	0.4
106.92738	0.2
107.01439	0.6
109.02963	0.5
124.01675	0.3
125.02415	0.9
125.05490	0.2
133.03008	0.3
137.02422	0.3
143.04973	0.4
145.02983	0.7
147.00891	0.2
151.00362	2.6
152.01120	0.3
159.04527	0.6
167.05017	0.3
169.01456	0.6
169.02821	0.2
171.04550	0.5
174.60767	0.2
178.99884	0.5
183.04512	1.4
184.21654	0.2
185.02455	0.4
187.04024	0.8
199.04008	3.4
200.04381	0.2
201.01964	0.2
203.03514	0.6
211.04066	0.7
214.02679	0.4
215.03506	0.8
227.03513	4.8
228.03909	0.3
229.05043	0.3
241.01479	0.9
242.02237	1.9
242.67332	0.2
243.03003	9.9
244.03455	0.7
245.00859	0.8
251.93507	0.2
255.03011	9.7
256.03528	0.6
257.04565	0.4
270.01700	1.6
271.02493	16.7
271.91571	0.2
272.02988	1.6
272.99634	0.3
285.04056	3.1
286.04611	0.2
298.01062	0.6
299.01990	84.0
299.99088	1.4
300.02377	7.6
300.99448	1.8
301.99652	3.0
312.12512	0.3
313.00146	0.3
313.03564	2.1
314.04340	37.3
315.01385	1.5
315.04846	3.9
316.02032	3.0
317.02020	3.4
322.10999	0.2
326.11633	0.3
328.02487	0.3
329.06674	100.0
330.07007	7.2
330.10974	0.3
333.08386	0.2
337.12854	0.4
341.14001	0.7
431.04388	0.3
445.14908	0.4
461.07388	0.5
461.18048	1.2
473.07239	0.9
491.07800	2.3
491.12543	1.5
492.07748	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	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01210	0.7
59.01466	1.4
65.00412	0.9
69.42064	1.0
69.42468	4.2
70.70248	0.6
71.01505	2.6
73.06497	0.8
76.00528	0.6
79.02037	1.0
82.15440	0.7
84.77088	0.7
85.65123	0.7
89.02554	1.0
93.03566	1.4
94.90491	0.6
95.01546	0.7
97.03083	0.7
107.01556	5.4
123.00290	0.9
123.01075	3.0
125.01637	1.2
125.02464	24.3
133.03152	1.9
137.02573	1.2
139.00548	1.2
139.99712	0.8
148.01797	1.0
151.00388	4.9
155.61922	0.7
168.00737	1.7
169.01451	30.8
175.04102	0.9
177.01952	47.0
177.05766	3.9
178.02438	2.1
199.04156	2.8
201.01987	0.9
203.03648	0.9
211.02617	1.2
227.03526	3.9
241.03526	1.1
242.02321	2.3
243.02995	8.1
255.03003	1.8
257.04703	3.1
269.04703	1.4
269.26471	0.8
269.32565	0.9
271.02499	83.0
272.02771	4.9
285.04147	5.3
286.04919	3.5
299.02042	4.6
313.05743	35.0
314.04333	49.5
315.04715	3.9
329.06689	100.0
330.06992	7.8
339.10815	1.0
465.75409	0.8
491.08011	24.3
491.19116	1.7
492.08359	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	491.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46693	0.3
61.98816	0.3
69.07346	0.3
69.07623	2.6
107.01394	0.6
125.02447	0.5
149.99539	0.3
151.00319	1.4
158.03673	0.3
160.05319	0.4
167.48869	0.2
172.01678	0.3
175.07790	0.3
186.03204	0.8
189.01982	0.5
198.03209	1.0
199.03934	0.4
201.01901	0.3
211.26199	0.3
214.02713	3.8
217.01276	0.3
218.02174	0.5
226.02715	0.8
227.03490	1.2
229.01324	0.3
241.01477	4.0
242.02222	21.9
243.02881	2.2
245.00928	6.7
254.02246	1.4
255.02988	2.2
259.94403	0.3
267.02985	0.3
270.01718	30.8
271.02402	6.7
272.03094	0.7
272.86670	0.3
273.00403	0.6
282.01654	1.2
285.04062	9.4
286.04349	0.5
297.97784	0.5
298.01187	8.9
299.01962	10.5
300.02374	0.7
312.02829	0.9
313.03564	100.0
314.03986	8.8
316.02029	0.5
328.02393	0.5
328.05930	1.2
329.06641	10.1
329.13989	1.2
330.06833	0.4
341.02927	0.4
371.07840	0.4
461.00961	0.3
461.07382	4.6
462.07727	0.3
476.09637	36.3
477.10022	3.0
491.12039	62.2
492.12335	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	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.0
69.76385	1.9
74.07544	0.3
85.88608	0.3
104.59841	0.4
109.02902	0.4
125.02468	2.1
132.94638	0.3
157.02779	0.4
165.01993	0.7
169.01457	2.6
170.12596	0.4
177.01932	1.6
182.19908	0.4
198.03212	0.4
199.03996	2.1
203.03545	0.8
214.02713	1.7
215.03494	1.3
225.01927	1.2
227.03537	3.1
229.01654	0.5
229.05032	0.9
239.05847	0.5
240.04250	0.6
241.04967	0.6
242.02260	7.4
243.03000	4.5
253.01582	0.8
255.02998	0.6
257.04556	13.3
268.03757	2.3
269.04471	0.9
270.01727	8.9
271.02493	26.2
272.02899	1.8
285.04071	34.2
286.04807	16.9
287.05157	1.2
299.02042	2.1
313.03467	7.1
314.04333	29.1
315.04733	1.6
329.06686	100.0
330.07062	7.2
335.86209	0.4
371.07654	0.9
443.79898	0.4
476.09485	1.0
491.12689	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	491.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78239	0.6
69.39257	4.0
74.97076	0.6
76.76418	0.6
80.35791	0.7
87.96185	0.5
91.02305	0.5
96.15856	0.6
98.22548	0.7
107.53289	0.5
126.59168	0.6
165.01942	2.6
167.49673	0.5
199.04007	1.7
226.02641	1.4
227.03543	1.4
242.02219	2.6
243.02957	1.6
254.02216	2.3
255.02829	0.8
257.04620	2.0
269.04526	2.7
270.01743	1.5
271.02509	32.3
272.02896	1.6
285.03949	2.9
298.01251	0.9
299.02008	73.2
300.02350	4.3
313.03555	8.5
314.04361	91.0
315.04788	7.1
329.06699	100.0
330.06998	7.4
396.47708	0.6
476.09564	1.4
491.12024	22.8
492.12509	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	491.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
62.37480	1.1
69.05671	9.8
71.01383	1.0
81.03474	6.1
83.01394	4.5
85.02954	1.1
89.02486	1.1
95.05032	8.7
97.02958	2.0
99.04529	1.6
106.67712	1.1
109.02984	1.6
111.00881	3.5
121.02948	2.3
122.03746	2.5
123.00874	3.1
123.04543	9.1
125.02460	21.0
137.02467	3.4
137.06088	11.5
139.04033	2.7
141.05557	1.4
149.02443	1.8
150.03204	1.7
151.00363	1.0
151.03976	1.5
152.84146	1.2
153.59724	1.1
161.02428	1.1
163.04034	2.5
165.01849	1.2
165.05615	5.6
166.02716	1.4
166.99869	2.3
167.02164	1.7
167.03526	29.8
167.04930	2.0
168.03796	1.5
169.01419	10.9
177.01976	1.9
177.05632	1.0
179.03555	4.8
180.04234	3.0
181.05109	2.1
191.03537	8.6
193.04990	1.6
203.03429	1.0
205.05066	4.2
206.02103	0.9
207.02884	1.6
208.03729	1.8
209.04575	100.0
210.04900	4.8
221.04536	2.2
233.04568	22.1
234.04724	1.0
235.05853	1.0
239.05641	3.6
246.95044	0.9
247.02545	1.2
247.06450	1.0
251.05632	3.5
263.05640	2.1
300.99875	1.7
354.87811	0.9
371.09851	79.9
372.10339	6.0
401.10745	1.5
453.10764	1.4
491.13925	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	491.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01382	1.5
59.15931	0.5
59.50254	0.4
61.98828	1.7
64.91039	0.4
68.96992	5.1
69.03450	2.0
71.01389	1.1
72.99294	1.1
79.01881	0.6
80.91684	0.5
81.03450	0.6
83.01384	0.7
87.00868	0.6
93.03470	16.2
95.01396	0.8
97.02959	2.0
98.21676	0.8
101.02489	0.5
105.26348	0.5
107.01402	6.1
107.49503	0.5
111.00876	1.6
123.00921	1.2
124.01665	3.6
125.02457	59.4
126.02767	1.8
136.98785	0.7
137.02463	7.4
139.00380	1.7
139.11308	1.2
140.01180	2.4
168.00659	15.6
169.01437	100.0
170.01811	2.7
183.10298	2.4
201.05573	0.8
219.06648	0.7
219.11812	0.5
245.04567	0.8
247.18988	0.6
263.05594	1.5
289.03513	1.0
312.99954	0.6
321.13400	1.4
339.14487	1.1
447.16492	0.6
491.08859	1.0
491.15668	6.9
491.28409	2.1
492.16324	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	491.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11069	0.6
55.01879	1.0
57.03448	1.4
58.00583	1.3
59.01387	31.7
69.03885	6.6
69.81682	0.8
71.01392	18.7
72.99296	1.8
73.02938	2.1
83.01394	1.5
85.02946	5.4
89.02454	17.4
91.01891	1.0
98.21729	1.2
101.02436	3.1
104.36472	0.8
108.02182	2.1
109.02962	13.5
113.02464	0.9
116.21341	0.7
123.04537	3.5
125.02415	1.1
131.03494	1.6
134.03781	0.8
135.04533	10.1
149.04562	0.8
155.59683	0.7
159.04567	4.7
167.03505	1.5
169.01511	1.3
172.05345	4.2
173.06107	7.8
179.03517	4.3
187.07651	3.4
189.05595	4.0
190.06393	0.8
191.07108	1.4
203.07114	1.7
213.05435	0.9
217.08688	1.5
225.05382	0.9
240.04417	1.3
241.05087	8.1
253.05055	2.8
255.06602	6.0
256.07007	0.8
267.06662	2.4
268.07410	2.0
269.08154	1.0
269.98093	6.3
279.06674	1.5
280.07422	1.8
281.08261	5.6
283.09778	2.3
285.00452	3.9
295.09772	7.7
296.10492	3.4
297.97577	11.2
298.08548	1.3
298.97922	1.4
299.09308	5.3
309.11176	1.0
311.08972	7.2
311.12973	0.9
312.99921	20.9
313.10803	11.8
314.00189	1.3
323.96887	0.8
325.10767	2.2
326.11679	7.2
327.12161	1.9
328.02240	13.4
329.02448	1.9
329.10400	3.2
341.13971	13.0
342.14291	0.8
343.11874	2.0
344.12671	27.9
345.13077	2.7
359.15033	100.0
360.15329	8.4
476.06161	2.3
478.22113	0.9
491.08719	15.8
491.19293	75.8
492.08383	2.4
492.19589	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	491.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
59.94871	0.8
69.01942	6.9
69.02335	1.0
69.92036	0.7
71.01384	1.8
71.48995	0.7
72.96720	0.7
73.02959	0.8
74.09668	0.7
80.94910	0.8
89.02450	1.1
101.02486	1.1
107.29952	0.7
109.03012	1.0
119.87946	0.7
121.02981	3.8
121.72812	0.7
122.03778	0.9
123.00877	1.2
136.05330	1.6
137.02446	1.0
139.40732	0.8
143.05022	1.0
147.04506	3.0
149.02492	1.4
150.03258	5.1
158.03754	3.1
159.04541	11.4
160.05313	33.3
161.06097	11.1
163.04036	5.7
164.04770	4.4
173.04807	0.8
173.06085	4.1
175.07664	24.4
176.04689	0.9
176.07979	1.3
177.05606	6.4
178.06354	9.6
192.07924	1.8
193.08650	1.3
199.71295	1.0
271.02463	0.7
312.99844	1.3
314.11615	1.9
329.13968	100.0
330.14337	8.2
332.73428	0.8
344.12787	0.9
359.14908	3.0
491.19183	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	491.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93387	1.8
57.03444	2.1
58.00592	6.0
59.01386	100.0
61.98839	16.4
71.01390	70.9
72.99313	7.9
73.02963	1.8
83.01405	2.7
85.02952	12.4
87.00896	1.8
89.02456	98.3
95.01397	3.8
98.02481	5.5
98.21726	3.3
101.02457	36.9
109.02969	11.7
113.02464	23.3
119.03516	32.6
121.02952	3.0
123.00916	1.6
123.04497	2.3
125.02440	7.1
131.03523	2.1
137.02440	2.0
143.03506	4.0
149.02406	1.7
149.04588	3.4
150.03275	4.7
151.00423	2.4
151.09172	1.4
158.03821	2.6
159.04529	40.2
160.05118	2.5
161.04564	2.1
161.48697	1.8
169.01396	5.0
173.06123	4.4
176.98480	2.6
178.99857	2.6
179.05606	4.1
214.02733	1.9
236.10837	1.6
245.00450	1.7
259.02502	2.2
270.98932	4.3
271.02496	10.4
271.99213	5.3
272.99374	12.0
281.08200	4.8
287.01901	7.9
288.01776	2.6
296.10538	23.9
297.97522	2.3
298.98395	5.8
299.98837	7.3
300.98865	12.0
301.99487	4.5
311.12921	81.7
312.13260	6.8
313.00012	5.0
314.00665	7.7
315.00830	9.7
316.02087	30.4
317.02628	6.7
328.02127	2.4
467.97186	1.7
491.07632	48.4
491.22052	2.9
492.08041	4.7
492.15530	1.8
503.54956	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	491.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92282	0.4
55.17218	0.4
57.22727	0.5
59.01406	0.4
64.28110	0.4
69.64161	1.6
90.85771	0.4
93.03490	0.7
107.05045	0.5
109.02978	5.3
115.57762	0.4
119.05040	100.0
120.05339	3.0
125.02464	0.5
137.02452	2.3
145.78993	0.4
163.04024	74.6
164.04387	3.4
169.01442	1.1
211.13374	0.4
316.02310	0.5
329.23343	2.4
399.79489	0.4
491.19907	0.6
491.28159	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	491.2868
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
52.79801	0.4
55.01865	0.9
57.03445	1.5
58.00599	0.7
59.01390	6.7
61.98813	1.1
68.09373	0.5
69.93096	0.9
69.93509	1.7
71.01394	7.9
72.99317	0.5
73.02942	2.0
75.00880	0.6
77.31705	0.4
83.01395	1.9
85.02956	3.0
87.00904	0.7
89.02456	1.1
95.01395	0.6
95.15336	0.4
99.00908	0.9
101.02435	5.9
109.02986	1.0
113.02468	2.4
116.40827	0.4
119.03523	0.8
121.76500	0.5
123.00919	0.7
125.02419	2.5
125.09737	2.8
127.11258	4.1
137.09732	0.9
139.11317	0.7
139.26808	0.5
153.01971	1.8
155.10788	1.9
165.09236	2.2
169.01424	1.9
171.10295	4.7
183.10233	0.6
193.05093	0.9
199.09732	1.1
201.11343	26.2
202.11685	1.1
205.73830	0.5
231.43285	0.6
271.02551	1.1
287.01944	1.0
293.21384	1.2
299.01962	0.7
311.22379	2.3
316.02277	3.6
317.03033	0.7
329.23318	6.2
411.81494	0.5
455.26688	1.0
456.69739	0.5
473.27689	3.5
491.08612	1.9
491.28665	100.0
492.29010	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	492.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01365	1.2
61.98816	0.4
70.17532	0.8
74.58683	0.4
78.95908	11.0
97.06557	0.4
98.48712	0.3
107.98253	0.4
113.09739	2.4
121.75220	0.3
133.67337	0.4
140.01193	2.8
140.69003	0.4
152.99593	1.0
153.80185	0.4
171.10257	0.5
179.14406	1.1
181.12361	0.6
195.13922	15.8
196.03799	1.8
196.14261	0.9
214.04892	4.5
259.20435	0.4
277.21744	15.4
278.22137	1.1
295.22800	100.0
296.19968	0.6
296.23145	7.6
463.16208	0.4
492.27359	19.0
493.27640	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	493.055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.57399	1.5
59.10799	1.5
71.01398	2.3
98.21747	5.5
101.28816	1.4
107.01414	6.3
109.02966	6.1
115.84444	1.6
123.00923	3.6
125.02463	67.6
126.02814	3.4
135.04541	69.7
136.04868	2.6
139.00429	1.7
151.00330	1.8
156.15578	2.0
161.02454	3.3
168.96083	1.8
169.01442	100.0
170.01764	4.9
177.02028	2.7
179.03499	13.0
287.02042	1.9
287.05405	1.8
297.09933	2.9
300.99832	1.7
305.06509	1.8
313.05685	21.2
449.10934	40.9
450.11307	4.3
457.07706	2.8
493.09543	10.3
493.15698	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	493.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24125	0.3
59.01376	0.7
63.02399	2.3
65.00322	3.6
70.01533	0.5
70.01939	1.1
71.01376	1.2
72.95863	0.3
75.00873	0.3
75.87517	0.3
78.75671	0.3
80.38365	0.3
81.03448	0.5
83.01398	2.8
84.64234	0.3
85.02947	0.9
93.43951	0.3
94.41834	0.3
97.02892	0.3
98.53161	0.3
99.00892	0.4
107.01403	7.7
109.02960	6.6
113.02479	0.6
119.01384	0.8
124.01672	0.3
125.02449	3.3
125.28199	0.3
135.00868	0.4
137.02458	17.9
137.95442	0.3
138.02795	0.7
149.01201	0.3
151.00386	31.8
152.00772	1.1
155.03517	0.6
159.62526	0.3
161.02443	0.4
163.00366	2.8
164.01074	0.7
165.01936	1.2
169.01456	1.8
171.04529	0.4
175.03961	0.5
178.99875	25.0
180.00229	1.1
183.04597	0.5
185.02472	0.3
189.05753	0.4
190.99883	0.7
192.00662	1.7
193.01413	1.2
193.03542	1.2
199.03981	1.2
201.01930	0.4
203.03525	0.8
215.03528	0.5
217.04906	0.5
219.03030	0.4
227.03535	2.6
229.01598	0.4
231.03041	0.3
243.02928	1.9
245.04605	0.7
255.03032	0.5
261.04095	1.1
271.02493	5.6
272.03101	0.4
287.02026	0.8
289.03598	0.5
299.01953	3.3
316.02213	1.9
316.32242	0.3
317.03036	100.0
318.03412	6.2
341.80618	0.3
429.41418	0.3
493.06290	14.7
494.06540	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	493.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03315	1.3
65.12304	1.3
67.50726	1.5
79.68779	1.3
98.21678	2.4
107.01395	5.2
109.02950	4.6
113.02518	1.3
123.00888	5.1
125.01540	2.5
125.02465	52.0
135.04539	56.9
136.04819	2.3
137.02480	1.6
139.00417	1.8
146.19467	1.3
151.00410	1.8
161.02469	3.0
169.01447	100.0
170.01756	3.7
179.03539	14.9
222.22353	1.3
279.51682	1.4
287.02173	2.4
297.09726	1.9
300.99771	2.7
305.06644	4.2
313.05682	14.9
319.10568	1.8
342.78940	1.5
361.76840	1.4
434.63635	1.5
449.10922	25.7
457.07819	4.4
471.37057	1.7
493.09717	9.1
493.16043	2.1
494.10535	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	493.0992
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
52.16351	1.0
53.65575	1.0
57.02000	1.1
59.01388	7.7
61.98836	8.1
65.00327	1.2
65.97599	1.1
68.79380	1.0
71.01400	3.4
71.27148	1.5
71.27511	1.4
83.01365	1.5
83.03798	1.0
85.78352	1.0
86.06609	1.0
89.02418	2.8
90.77549	1.1
93.03444	1.2
107.01386	4.1
123.00936	1.5
124.01698	2.4
125.02469	7.9
136.01677	5.8
137.02449	2.4
139.00398	4.0
140.01135	4.3
149.04482	1.1
151.00374	20.9
151.03952	1.2
152.01160	12.4
155.03503	4.6
160.01614	1.7
161.02437	1.5
163.00371	4.7
164.01186	8.9
164.04677	1.4
169.01416	5.8
175.04013	3.3
178.99866	42.5
179.07051	1.3
180.00327	1.3
192.00522	1.4
193.01447	2.7
193.05025	1.5
203.03481	1.5
211.02435	1.5
215.03450	3.2
219.02902	2.0
243.02951	2.0
244.90080	1.3
255.36742	1.3
259.02466	5.0
270.01608	2.0
271.02386	9.7
271.04782	2.4
287.02051	2.7
289.03400	1.6
298.01025	2.3
299.01981	35.5
300.02545	4.1
301.03485	1.9
315.01547	8.2
316.02228	47.5
316.05917	2.8
317.02618	4.2
318.02722	2.2
330.03833	5.7
331.04602	100.0
331.15421	2.4
332.04922	7.6
337.09189	3.7
432.22119	1.4
433.24484	2.3
493.09781	53.5
493.29056	1.7
494.10074	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	493.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42875	0.3
59.01393	0.7
60.14374	0.4
61.98855	1.0
71.01476	0.4
71.27123	0.4
80.85340	0.4
107.01443	0.5
113.02481	0.4
117.62829	0.4
123.00933	0.5
124.01719	1.6
125.02475	0.8
136.01675	0.6
137.02440	0.7
137.35887	0.4
151.00397	1.3
152.01186	0.7
163.00409	0.5
164.01215	1.4
169.01462	0.8
178.99918	1.6
194.57314	0.4
203.03539	1.2
214.02727	4.9
215.03323	0.5
227.03493	0.9
231.03053	0.4
232.03738	0.6
242.02237	4.1
243.02925	2.2
259.02487	4.8
260.02991	0.6
270.01694	5.3
271.02496	29.1
272.02823	2.1
287.01968	17.1
287.05139	1.0
288.02472	1.8
295.05750	0.4
313.05798	0.6
315.01392	3.6
316.02252	88.1
317.02597	6.1
330.03674	1.9
331.04605	100.0
332.04974	7.0
383.10724	0.4
481.22632	0.4
493.09827	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	493.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
63.03392	0.5
71.26034	1.3
85.02962	1.7
89.02417	0.6
95.01397	1.0
97.02968	1.0
107.01424	0.7
109.62065	0.6
123.00919	1.3
124.01651	3.2
125.02460	59.4
126.02794	1.3
153.01900	0.9
168.00655	8.7
169.01443	100.0
170.01758	3.4
171.72992	0.6
208.22244	0.7
211.02539	3.3
224.48035	0.6
253.30484	0.6
271.04611	1.5
314.89682	0.7
331.06735	84.6
332.07028	4.8
373.07922	0.9
433.10004	2.4
493.12097	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	493.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44246	1.5
59.01370	5.1
61.98837	2.1
65.00327	1.7
71.01372	5.6
71.27282	2.8
73.02953	2.1
74.04033	1.5
75.89360	1.3
85.02942	2.5
89.02485	3.4
101.02437	3.8
104.44789	1.4
107.01381	2.8
109.02975	3.6
111.00886	5.0
113.02457	2.2
123.00903	1.8
124.01630	1.6
125.02489	7.1
132.02147	8.2
134.03764	20.4
135.04535	1.8
137.02443	4.3
139.00401	23.5
139.04027	2.5
140.01175	100.0
141.01469	1.7
149.06099	5.3
151.00377	6.8
153.02023	2.7
154.02727	7.1
154.13086	1.4
155.03520	89.4
156.03836	2.7
160.01669	38.0
161.02391	4.4
161.04448	1.6
162.66635	1.6
164.01118	1.5
165.01834	2.2
167.03523	2.5
169.01431	4.7
175.04024	64.0
176.04459	1.8
178.99892	4.6
180.00246	1.9
181.00343	2.2
183.02953	2.8
187.04005	1.8
193.05077	17.1
214.02699	2.3
243.02887	3.3
244.02876	2.2
259.02374	1.8
261.03104	1.9
270.01733	2.7
271.02411	12.9
272.02652	8.2
273.03076	15.1
287.01959	6.8
288.02374	5.8
289.02487	9.6
316.02255	17.5
317.02744	32.3
317.08624	12.3
318.02829	40.6
319.03424	8.8
337.09290	49.1
338.09695	4.4
361.18756	1.6
449.05182	1.7
493.08426	37.4
493.22696	2.8
494.08411	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	493.136
Annotation	Ericifolin
Peak:m/z	Relative Intensity
54.94082	0.5
57.03447	1.7
57.27452	0.4
58.20333	0.5
59.01374	2.7
61.48401	0.5
61.98820	1.7
67.01888	0.9
67.24185	0.5
69.03454	1.3
71.01389	6.2
72.99313	0.8
73.02956	0.9
79.01883	1.3
81.03445	0.7
83.01392	1.3
85.02964	2.1
86.70726	0.4
87.00911	0.7
89.02475	1.0
95.01421	2.3
97.02966	1.3
101.02440	2.6
102.71033	0.4
102.84405	0.5
107.01398	13.3
111.00893	1.8
112.81374	0.4
113.02454	2.0
123.00898	12.4
123.04623	0.6
124.01691	1.3
125.02457	75.2
126.02779	1.4
127.00377	0.7
136.05313	2.7
136.98854	0.7
137.02464	1.5
139.00380	5.4
139.04005	1.0
140.01144	3.4
141.01938	1.3
151.00381	9.5
151.03998	1.3
153.01965	1.0
154.99770	0.5
161.02449	1.8
161.04533	0.5
164.04803	55.4
165.05428	4.2
166.99680	0.5
167.03479	0.7
168.00659	3.5
169.01439	87.8
170.01845	2.4
179.03619	1.0
179.07147	23.0
180.07481	1.0
181.01495	0.4
182.02243	0.6
183.02998	1.2
193.01459	1.0
203.03421	0.5
211.02475	2.0
223.02504	1.1
229.11563	0.5
241.03603	2.2
271.02460	1.1
287.01944	0.7
299.17563	0.4
313.05676	72.5
314.06061	3.9
315.01581	2.1
316.02078	2.7
327.07397	2.1
330.03915	0.5
331.04688	2.7
341.08917	0.6
341.36804	0.5
449.14676	1.2
493.13638	100.0
494.13989	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	493.1358
Annotation	Ericifolin
Peak:m/z	Relative Intensity
55.01863	0.7
55.30873	0.6
59.01389	3.3
67.01913	0.8
67.24193	0.7
69.03471	1.2
69.34414	2.0
69.34834	1.9
71.01383	4.3
72.27229	0.6
73.02944	0.9
79.01914	1.3
81.96908	0.5
82.56500	0.6
85.02982	1.5
88.05334	0.5
95.01405	2.1
97.02956	1.3
99.04527	0.8
101.02471	2.0
107.01400	11.3
109.02969	0.8
111.00920	2.2
113.02484	1.7
123.00890	10.2
124.01656	1.4
125.02463	56.5
126.02795	3.2
133.02998	1.0
135.04550	11.6
135.05518	0.9
136.98813	1.1
137.02478	1.5
139.00388	5.5
140.01158	3.5
141.01955	1.8
145.02992	0.9
146.03755	14.2
147.04509	1.1
151.00375	9.2
153.01967	1.0
161.02486	2.3
161.06064	4.1
164.04820	9.1
165.01988	0.8
165.05563	1.7
166.99925	0.8
167.03506	0.6
168.00638	4.3
169.01443	72.4
170.01839	1.9
171.01900	0.8
177.01956	1.2
179.03592	1.4
179.07170	9.2
181.01598	0.7
183.03018	1.8
211.02484	3.0
241.03566	1.2
243.17178	0.6
271.02313	1.3
271.04922	1.2
272.02756	1.4
273.03061	2.1
286.04657	0.7
297.06348	1.0
313.05673	30.9
314.06076	2.0
315.05743	0.5
316.04977	1.6
327.07394	2.7
327.42014	0.6
329.06830	1.0
330.07010	1.7
331.07214	4.0
378.97049	0.6
421.01758	0.7
433.24582	0.7
449.10913	6.5
493.13669	100.0
494.14087	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	493.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78487	0.4
61.98809	0.7
69.03447	2.3
70.02350	1.5
71.17956	0.5
76.68530	0.5
78.95888	0.5
81.03451	0.7
85.02972	0.5
95.01409	1.6
97.02940	1.1
105.52127	0.5
117.03513	0.5
121.02933	0.6
123.00918	3.1
124.01678	5.3
125.02457	78.8
126.02779	1.9
134.59509	0.5
138.29391	0.5
139.00412	1.0
139.03996	0.6
151.00420	0.7
166.99864	1.2
168.00655	8.9
169.01437	100.0
170.01807	3.3
170.62747	0.5
171.10291	0.6
179.10757	1.7
211.02443	1.2
224.98602	0.5
313.05673	3.0
317.02725	0.8
331.06757	3.3
412.10449	0.9
493.17188	48.6
494.17480	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	493.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	92.0
58.00596	2.6
59.01386	89.6
60.15427	1.5
61.98842	2.8
69.03452	2.4
69.40654	3.7
69.41058	11.4
71.01390	45.6
71.62200	1.7
72.99313	3.3
73.02952	36.4
79.01936	2.2
79.05540	2.2
81.03484	5.1
83.01411	12.4
85.02966	11.0
89.02463	21.2
95.01398	4.1
97.02937	3.0
99.04529	100.0
100.04910	2.2
101.02455	71.1
107.01402	4.8
109.02957	2.6
109.06606	2.2
113.02462	29.1
113.06136	3.5
119.03522	15.9
123.00913	3.4
123.04546	27.0
125.02466	64.5
131.03502	4.6
135.04453	2.4
137.02435	3.4
141.05600	5.1
143.03551	7.6
149.04585	7.2
153.05548	3.6
161.02486	3.0
161.04575	29.8
163.00368	3.6
168.00609	2.7
169.01427	23.2
170.01761	3.7
173.02513	2.4
179.05684	12.3
189.01974	1.8
193.01512	2.0
203.03555	3.3
204.03944	2.2
217.01530	2.7
221.06766	4.1
247.02534	3.1
257.00912	3.6
263.07745	3.7
266.78531	2.2
269.98093	2.3
270.98660	1.9
271.98965	3.2
273.00467	5.9
274.01205	3.1
275.01913	6.4
285.00006	2.1
287.01401	3.0
288.02942	2.4
289.03543	5.8
297.97549	4.4
298.97986	4.5
299.97928	10.7
300.99908	14.2
302.00284	7.0
312.99921	7.8
314.00266	6.4
315.00479	20.9
328.02243	5.3
329.02652	5.6
330.03049	10.1
386.53958	3.5
433.24542	6.4
493.09125	31.6
493.22946	6.5
494.09525	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	493.2448
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
58.00597	0.9
59.01381	23.2
71.01382	15.9
72.99300	0.8
77.87002	0.7
84.72248	0.7
85.02950	2.6
87.00892	1.3
89.02454	20.1
95.01413	1.2
101.02452	7.7
113.02457	7.5
117.03496	0.8
119.03522	10.1
119.05041	1.0
131.03484	1.0
138.83516	0.7
143.03470	2.0
145.02921	1.4
149.04579	1.2
150.67374	0.6
160.01782	0.8
161.04607	1.5
175.04068	0.7
179.05609	8.9
201.12759	1.0
209.11815	0.7
229.68274	0.7
269.19125	4.5
270.19324	0.7
287.20209	5.9
313.18130	15.7
314.18372	0.9
331.19168	100.0
332.19464	10.8
345.20538	1.0
354.96759	0.7
373.20224	7.1
374.20645	1.2
400.06998	0.7
493.24490	42.1
494.24857	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	493.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32236	0.9
55.01882	1.4
57.03458	1.0
59.01387	12.0
61.98839	4.0
69.19102	7.2
69.67181	0.9
71.01392	35.1
72.99306	2.8
73.02947	11.8
75.00880	81.3
77.64765	1.0
77.65214	0.9
83.01402	4.1
85.02955	14.0
87.00915	1.1
89.02448	11.3
91.05502	1.1
95.01386	2.4
97.02983	1.0
99.00905	4.7
101.02454	21.6
111.00915	1.6
113.02460	15.6
119.03489	3.4
125.02482	2.8
131.03503	1.3
143.03510	1.0
149.04639	1.7
159.03041	2.2
161.04581	12.1
169.01543	1.4
201.31946	0.9
245.03722	1.0
273.58231	1.0
301.00058	1.2
302.03372	1.1
304.04025	1.7
315.18182	15.5
316.18604	1.2
319.07755	1.0
447.22379	100.0
448.22827	9.9
493.12027	1.3
493.30139	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	493.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	3.6
59.01383	100.0
61.98832	45.3
66.37997	3.0
67.13497	3.3
71.01388	75.5
72.99319	7.5
73.02955	5.1
83.01401	4.3
85.02964	15.8
87.00867	3.8
89.02450	78.5
89.32356	3.2
94.32422	3.2
95.01411	8.0
99.00906	12.5
101.02454	37.5
107.01420	5.2
108.13206	3.5
109.02984	3.2
113.02480	23.8
119.01364	4.9
119.03524	30.1
121.02988	4.1
122.02479	3.9
123.00912	10.2
125.02441	32.9
126.02869	3.8
131.03555	5.4
137.02446	10.0
139.00366	6.0
140.01122	3.5
143.03535	10.2
145.02979	4.5
147.04607	4.9
149.02419	4.4
149.04570	5.2
151.00352	5.4
161.02452	6.2
161.04599	9.5
163.00374	13.9
165.01901	6.1
169.01447	45.1
170.01810	3.8
173.02415	4.3
175.02489	4.4
177.01920	5.2
179.05580	27.6
179.06920	3.6
189.01942	5.1
190.99927	5.6
193.01469	6.8
195.58034	3.5
198.06934	5.0
199.07576	3.5
201.01862	3.8
202.02521	6.0
203.03580	8.9
205.05113	4.3
209.00983	9.7
217.01395	5.4
229.01418	5.5
231.02982	8.6
237.00378	7.9
247.02533	4.4
249.63078	3.6
270.99060	4.2
271.02432	6.9
271.19196	4.2
273.00302	6.1
275.01962	7.2
287.02100	5.8
293.08771	6.0
298.98175	5.0
300.99957	29.4
302.00302	6.2
315.01544	14.3
316.02213	20.3
331.04575	7.3
339.12997	4.2
433.24387	7.3
493.10071	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39217	0.3
51.46713	0.3
59.01394	0.6
61.98836	100.0
62.18322	0.4
69.11855	0.9
69.12267	2.5
71.01398	0.6
90.96149	0.4
97.60517	0.4
101.02487	0.5
123.04583	0.7
125.02474	0.7
137.02469	0.5
156.91426	0.4
163.00462	0.4
169.01500	0.6
183.10315	0.5
191.68227	0.4
227.03513	5.0
229.05223	0.6
255.02986	8.4
256.03683	1.2
267.38141	0.4
272.89987	0.4
284.03293	9.3
285.04059	9.2
285.06992	0.7
286.04404	0.5
431.09851	17.1
432.10300	0.9
488.01880	0.5
494.13849	0.7
500.96823	0.4
517.78784	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	494.11
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07243	1.8
55.20701	1.9
57.03443	12.5
59.01376	8.2
59.80844	1.7
61.80986	1.8
69.03472	2.3
71.01379	5.3
71.27224	3.2
81.03461	3.6
83.01402	5.2
89.02415	1.7
93.03477	3.2
95.04985	2.0
97.02937	2.4
101.02452	2.1
105.03490	2.0
107.01415	4.5
108.04575	2.5
109.02982	13.9
109.89440	1.7
111.00900	5.1
117.83752	1.8
121.02927	2.8
123.00899	9.2
123.04523	6.7
125.02463	95.6
126.02800	6.0
135.04538	7.1
136.04025	4.3
137.02454	22.7
139.00330	2.8
139.04042	3.9
140.01144	2.3
145.02957	18.3
146.03723	3.3
149.02473	4.6
150.02011	2.9
150.05663	4.8
151.00421	3.6
151.03963	6.5
159.04501	14.9
160.04053	3.2
161.02429	5.3
161.06082	6.5
162.01968	15.6
162.03136	2.7
163.02785	20.5
165.01991	4.1
166.99860	2.5
168.00659	4.9
169.01453	25.7
170.01807	6.2
175.04042	2.0
176.03526	21.8
178.05113	100.0
179.05476	4.7
181.05038	2.3
183.04512	3.0
184.05263	3.1
185.06091	8.5
185.27377	1.7
187.03920	4.4
188.04749	2.1
201.05573	4.8
203.07118	10.6
204.03032	15.9
205.05008	5.1
211.02405	2.6
212.02832	3.0
222.04100	97.8
223.04544	4.1
227.07130	6.7
229.05020	3.6
245.08217	6.7
253.05118	12.8
271.06235	42.1
287.02020	4.0
288.02328	6.6
289.07214	45.5
290.07397	2.8
301.00052	2.7
315.01447	7.5
316.01782	14.1
317.02338	4.3
318.03296	5.5
330.03827	2.2
331.04230	6.2
332.07187	4.8
356.07947	9.4
408.10574	2.1
434.24915	2.5
450.12155	4.3
451.32986	3.6
494.10535	34.3
495.15897	11.7
503.61682	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	494.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87129	1.2
59.01374	1.7
61.98837	100.0
69.21408	2.2
69.21793	9.5
71.01384	1.6
83.60857	1.2
85.02958	1.8
86.04394	1.0
93.67381	1.1
98.21770	2.3
101.02468	1.1
109.03003	1.5
123.04570	1.7
125.02446	3.3
137.02480	1.4
138.46529	1.1
139.00410	1.6
140.01204	2.1
145.02980	3.0
149.02399	1.4
149.03682	1.2
155.03543	1.6
169.01378	2.0
177.01843	1.7
189.01929	3.6
199.06165	1.4
217.01445	2.1
247.88501	1.2
341.06610	5.2
431.22913	8.9
435.14441	2.4
447.14581	6.5
484.62164	2.0
495.13181	2.0
495.25394	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	494.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63342	0.9
66.95795	0.9
71.26938	1.1
71.27332	1.2
76.61157	0.9
81.03454	3.8
83.05034	10.3
95.10297	1.0
95.67335	1.0
123.00865	1.1
125.02447	6.8
125.07204	1.1
153.52472	1.2
169.01442	8.6
170.01839	2.4
198.29895	1.3
214.11513	1.0
224.17760	1.2
225.16112	6.8
230.45528	1.1
246.18356	1.1
271.06155	1.2
276.88559	1.0
298.98465	1.2
313.05734	2.4
316.01599	1.2
317.02747	1.2
318.03613	1.0
333.22943	2.3
367.27069	1.5
433.31824	4.4
451.32928	100.0
452.33069	9.6
494.10010	2.4
494.33270	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	495.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81057	0.3
56.36046	0.3
58.35426	0.5
59.01406	0.5
67.01890	1.0
68.72092	0.4
69.03455	1.3
71.01395	0.8
73.02922	0.4
78.95908	0.8
81.03481	0.5
85.02940	2.7
87.00877	0.9
90.66656	0.4
93.03468	8.9
95.01389	0.4
97.02975	0.5
99.04547	0.4
107.01394	4.6
109.02961	1.4
111.00893	0.9
111.04523	2.7
111.32927	0.3
123.00925	0.7
124.01662	0.4
125.02460	44.3
126.02802	1.4
127.04060	0.7
137.02460	3.8
143.03534	0.8
152.99599	0.4
155.03531	2.5
168.00629	0.3
169.01440	100.0
170.01773	3.2
173.04562	23.6
174.04924	0.5
191.05621	16.1
193.01447	1.4
211.02489	0.5
253.36919	0.4
294.47635	0.3
313.05957	0.4
325.05710	7.8
326.05862	0.7
327.97250	0.4
343.06714	60.4
344.07043	3.0
423.09647	0.5
495.07654	8.1
496.07739	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	495.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65107	0.7
52.44504	0.8
67.01895	1.3
70.85740	0.8
70.86089	1.7
71.01356	1.1
77.12189	0.7
81.03468	0.8
83.01352	0.7
85.02964	2.1
93.03477	9.2
99.04529	0.8
100.79611	0.7
105.73888	0.8
107.01397	5.7
109.02962	25.2
111.00868	1.2
111.04510	3.2
113.02460	1.1
116.39388	0.8
123.00916	2.0
125.02459	51.2
126.02789	1.7
137.02457	26.6
139.00363	1.2
151.00420	1.1
152.37631	0.7
152.68579	0.8
155.03497	3.1
159.20245	0.8
169.01440	100.0
170.01851	2.6
173.04558	20.0
191.05621	16.0
193.01447	0.9
211.02521	0.9
211.18640	0.7
221.07141	0.7
299.07813	3.0
313.05716	5.9
325.05624	5.3
343.06714	59.1
344.07169	4.0
349.68832	0.7
375.70709	0.9
423.09354	22.9
424.09799	2.0
451.08676	0.7
495.07980	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	495.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88124	0.7
59.01392	1.1
67.01907	0.8
69.03442	1.0
70.63633	1.1
70.63982	1.8
71.01375	0.7
81.03452	1.1
84.63350	0.6
85.02962	2.3
87.00880	0.8
93.03477	8.1
107.01392	4.8
109.02969	0.7
111.04544	3.3
125.02457	41.4
137.02446	3.6
139.82205	0.7
143.03473	0.8
155.03543	3.2
167.63745	0.7
169.01440	100.0
170.01738	3.5
173.04559	24.7
173.06039	1.3
191.05640	15.8
193.01410	1.1
325.05652	9.2
343.06714	69.7
344.07104	4.0
495.07877	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	495.0786
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01377	2.3
61.98834	4.2
61.99107	0.8
66.25515	0.8
67.01872	1.2
67.33956	0.7
69.03458	2.5
69.52519	5.0
71.01376	1.0
79.01923	1.4
81.03465	1.5
83.01392	1.6
85.02950	1.8
95.01403	6.6
97.02966	5.6
98.21838	1.5
98.22468	1.5
107.01397	11.9
109.03029	1.2
111.00911	1.1
113.02451	2.7
116.77959	0.9
123.00917	14.3
124.00887	1.0
124.01695	13.0
125.02464	52.1
135.04506	0.8
137.02455	1.6
139.00380	2.1
140.01190	1.8
141.01923	1.0
149.02415	1.1
149.99608	22.0
151.00395	17.1
163.03993	2.5
166.99818	4.5
168.00665	45.4
169.01443	93.6
170.01799	3.2
200.54172	0.7
203.03600	1.0
227.36519	0.9
265.03558	7.1
283.04639	1.2
325.05713	6.4
343.06897	2.6
391.06808	2.2
451.08798	3.2
456.66357	0.8
477.06940	1.2
495.07874	100.0
496.08218	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	495.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.1
61.98832	7.7
69.03471	2.1
70.89075	3.0
81.03443	2.8
83.01408	7.5
89.02466	1.5
91.01907	1.8
93.03485	3.6
95.01389	1.9
95.05029	2.0
97.02962	6.1
109.02968	20.6
119.01384	2.2
121.02998	6.3
123.00883	3.2
123.04547	14.5
125.02461	33.4
128.80099	1.3
135.04518	3.6
137.02458	28.6
139.00313	1.7
139.04007	3.5
145.02972	8.4
146.03719	2.2
146.48213	1.2
147.00879	1.8
149.02464	11.1
150.03252	2.4
151.04042	7.1
159.04550	4.5
161.02533	2.9
161.06049	4.7
163.04012	3.4
164.01147	3.2
164.04803	4.5
165.01945	39.5
166.02336	1.7
167.03456	1.5
169.01440	3.5
174.03194	1.4
175.00398	10.8
175.04063	2.6
176.00995	1.5
177.02007	3.3
179.03491	6.1
179.07100	1.8
185.06058	2.4
187.03949	6.8
188.04794	4.3
189.01944	3.7
190.02742	22.6
191.03371	2.2
193.01428	1.7
194.76285	1.5
202.06412	1.6
203.07182	11.9
205.05087	30.0
217.01282	2.0
221.08253	2.9
223.06148	7.6
227.07140	4.0
245.08224	17.9
247.06166	2.0
253.05014	2.6
271.03354	1.4
271.06137	5.7
278.37772	1.3
289.07205	100.0
290.07538	7.2
315.05182	1.6
327.08588	1.8
329.10147	9.7
341.06693	6.6
345.09814	3.7
351.61023	1.4
495.14221	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	495.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.4
59.01370	0.7
64.52212	0.5
69.04423	4.4
71.01382	0.7
76.36740	0.5
76.98157	0.4
91.01988	0.4
92.24164	0.5
93.03477	2.0
98.22548	0.9
101.02483	0.7
108.02187	27.3
109.03016	1.1
123.00893	0.9
123.04546	13.5
125.02467	4.5
130.77441	0.5
137.02466	4.2
137.06091	3.1
138.03238	0.7
151.04036	0.5
152.01164	50.4
153.01517	2.0
167.03506	100.0
168.03857	3.8
169.01413	4.4
177.01932	1.6
181.05106	5.1
189.01944	3.1
191.03465	0.6
192.57330	0.4
205.04973	0.8
217.01421	1.8
219.02980	0.8
313.05591	1.5
341.06729	6.4
355.08160	0.4
495.11743	7.4
495.18997	1.4
496.12357	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	495.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24179	0.9
57.03445	3.0
59.01382	10.1
61.98835	32.7
69.03454	6.8
69.52242	0.8
70.96283	1.1
71.01390	15.6
71.05038	1.1
73.02955	4.1
81.03466	2.1
83.01399	3.3
83.05023	1.2
84.46082	0.8
85.02950	10.3
87.00887	1.2
88.28567	0.8
89.02435	1.0
93.03464	1.7
95.01408	5.3
97.02983	3.9
99.00893	2.2
99.04534	2.5
101.02435	8.7
107.01408	1.9
107.05027	1.1
107.08701	3.0
108.02183	13.1
109.02966	29.7
111.00913	3.9
113.02456	5.5
119.08684	1.1
121.02988	1.8
121.06584	1.1
122.02918	1.5
122.03757	16.1
123.00907	3.9
123.04539	17.2
124.01698	1.3
125.02460	67.0
126.02740	2.1
135.04608	1.6
135.08214	1.3
137.02437	4.9
137.09749	6.1
139.00395	11.7
139.11308	9.7
140.01178	52.3
141.01720	1.4
151.00420	1.1
151.04060	1.0
151.07623	4.5
153.01932	2.3
154.02702	2.1
155.03519	63.5
156.03902	2.4
159.03024	1.7
161.04588	10.2
161.05930	1.3
161.09784	2.6
163.07648	7.1
165.01877	1.2
165.09309	0.9
167.03542	2.9
168.00685	2.7
169.01440	100.0
170.01793	3.4
179.10826	1.8
181.08768	5.9
183.10278	27.1
195.06625	3.5
197.11853	1.6
205.08842	1.4
223.09850	2.9
226.60698	1.0
245.18294	0.9
255.02950	1.4
256.03345	1.6
284.03183	1.6
285.03720	3.0
286.04385	2.2
300.99847	2.5
301.03406	1.6
315.05215	1.9
317.08841	1.4
339.10727	1.2
343.04501	2.1
432.10196	6.5
433.08929	1.1
451.16238	3.1
477.17514	1.5
495.19342	32.7
495.31033	2.1
496.19028	3.7
512.62628	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	495.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01379	1.5
61.98822	0.5
66.82778	0.4
67.06166	0.4
70.16713	0.4
70.33982	0.5
71.01377	1.1
72.35313	0.4
72.41351	0.5
78.95918	0.5
81.03461	4.6
81.95021	0.4
83.01385	3.5
93.03441	0.5
95.05038	1.1
97.02964	0.8
101.02401	0.7
110.95018	0.5
123.04539	34.6
124.04894	0.7
125.02454	4.7
137.02455	0.9
139.04036	0.6
149.02437	1.2
151.00391	1.3
151.04074	0.8
161.87936	0.5
163.04021	1.4
167.03510	100.0
168.03822	3.6
169.01450	0.6
175.00360	1.0
179.03497	0.7
181.05095	2.4
191.03519	23.2
192.03923	0.9
209.04576	7.6
221.04543	1.2
229.23065	0.5
313.35541	0.4
484.29498	0.5
495.18768	7.9
496.19604	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	495.2608
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
56.29145	3.1
59.01091	3.9
59.01382	56.8
70.41345	3.7
70.83668	6.3
71.01386	44.2
85.02951	7.7
89.02453	62.3
95.81438	3.3
101.02460	24.5
113.02452	20.2
119.03520	24.4
123.04512	5.3
123.22556	3.7
125.02380	4.0
137.02460	4.6
143.03548	4.8
145.02985	3.3
153.30002	4.4
161.04512	8.2
167.03490	4.6
179.05603	19.1
235.32291	3.2
259.20615	8.5
289.21756	74.5
290.22168	6.9
315.19690	39.2
333.20734	100.0
334.21054	10.2
347.22305	4.1
375.21738	11.1
407.10141	3.8
495.36682	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	495.2606
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
52.01984	0.6
58.00591	0.6
59.01385	5.6
69.03446	0.9
70.00338	1.0
70.00737	1.8
71.01392	3.5
80.93825	0.6
83.01466	0.7
83.38609	0.7
85.02953	1.5
89.02448	1.7
92.67050	0.7
92.73457	0.8
95.01374	0.7
98.21815	0.7
101.02455	1.2
107.01424	0.7
109.02986	0.6
113.02483	4.6
118.77531	0.7
125.02468	2.2
135.00903	1.7
137.02498	1.0
145.02974	0.9
151.66949	0.6
161.04596	1.1
167.03511	2.2
169.01385	1.3
183.10342	1.1
196.23424	0.7
236.43971	0.6
271.20663	2.0
276.82437	0.7
289.07178	1.8
289.21765	46.1
290.21997	4.2
315.19742	5.4
333.20743	100.0
334.21143	9.8
347.22186	1.6
375.21774	9.9
414.35461	0.7
484.19592	0.7
495.22162	1.4
501.58701	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	495.2607
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
53.33729	0.6
59.01377	7.0
60.28806	0.7
69.62582	0.7
70.77215	0.9
70.77608	0.7
71.01378	5.1
77.51370	0.8
85.02955	1.7
87.00870	0.7
88.20321	0.6
89.02454	6.0
95.01337	0.7
97.02883	0.6
101.02474	2.7
106.43645	0.7
113.02476	3.2
119.03509	2.1
136.40242	0.8
138.58812	0.7
150.66129	0.6
158.92683	0.6
161.04579	1.1
179.05637	2.2
227.29489	0.7
271.20697	5.2
287.23843	0.9
289.21750	81.8
290.22083	7.7
303.23328	0.8
315.19669	6.0
333.20731	100.0
334.21066	9.6
375.21899	5.2
375.38162	0.8
387.91718	0.9
391.72128	0.7
495.25955	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	496.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16645	1.3
50.57116	1.4
61.56833	1.2
61.98834	9.4
65.67573	1.3
71.01408	3.0
73.02985	1.3
83.01411	1.9
85.02972	2.2
98.22599	3.4
107.01424	6.5
111.00957	2.4
113.02462	3.4
114.18977	1.4
121.02992	2.2
123.00922	8.0
124.01749	2.5
125.02469	19.9
127.00403	2.6
139.00414	4.1
140.01187	3.9
148.01671	1.7
151.00388	17.3
158.80927	1.3
163.00410	2.0
167.03580	1.6
168.00655	5.6
169.01436	24.7
178.99857	2.5
179.86150	1.2
191.98079	1.5
227.03418	1.5
243.02914	3.5
255.03024	12.0
271.02457	25.3
272.03006	2.1
285.03909	1.5
300.02786	39.3
301.03546	40.0
302.03894	2.5
313.05667	100.0
433.07813	48.6
434.08319	5.8
497.16736	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	496.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.5
69.03472	1.0
71.01373	0.8
81.03455	0.9
83.01391	0.6
95.01415	0.5
97.02953	1.3
107.01402	13.6
108.02229	0.6
109.02964	0.9
111.00860	0.8
118.68040	0.5
123.00893	2.1
125.02462	53.0
126.02806	2.0
139.00362	1.1
139.04022	0.6
140.01172	1.0
148.01628	0.6
149.02443	1.1
151.00400	2.6
153.01950	0.6
159.03271	1.1
160.04057	1.1
162.01987	1.3
166.05096	1.5
168.00671	3.0
169.01443	44.2
170.01756	2.4
183.03035	1.3
190.05125	0.6
206.04694	0.6
207.05363	1.9
208.06209	1.5
211.02489	0.6
212.05627	1.9
213.05574	1.3
220.06221	0.9
225.05664	0.6
238.05293	0.7
240.04318	1.5
241.05183	3.6
242.05843	4.3
243.06345	0.7
253.05078	3.6
254.05789	1.0
254.08344	0.7
255.06776	1.0
257.08249	1.4
266.04669	2.4
267.05402	1.5
268.06427	0.5
280.06320	1.6
281.06979	3.1
282.07608	1.3
283.05048	0.7
283.08463	0.8
294.07776	1.0
300.99847	0.9
301.03360	0.6
310.07257	5.9
311.08041	11.0
312.08640	3.1
326.10355	9.4
328.08322	2.0
329.09213	3.5
330.09698	1.3
344.11435	9.8
345.11691	1.2
384.61633	0.5
481.10242	1.2
496.12573	100.0
497.13074	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	496.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25811	10.3
57.03433	13.2
59.01394	11.9
61.78554	10.7
61.98822	10.8
69.06761	100.0
70.17334	9.2
71.01369	11.5
78.95871	20.0
90.53181	11.3
101.33430	10.2
125.02445	40.8
137.02463	23.8
144.76550	11.8
144.81030	10.5
150.64886	11.1
152.21140	11.2
152.99571	30.1
154.26852	11.3
169.01334	15.8
203.07007	12.7
231.36064	9.5
271.06171	18.6
289.07166	70.7
289.64294	9.9
439.11960	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	497.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98836	2.1
68.95655	18.4
69.45045	1.4
70.91032	1.8
78.95920	4.8
92.05076	4.6
92.23438	1.5
94.16994	1.9
96.03356	1.6
98.21800	3.7
99.92599	30.6
115.30167	1.6
115.92086	5.0
116.05130	3.0
116.92875	100.0
117.92871	6.1
118.03027	3.9
125.02501	2.2
125.92912	5.5
134.02469	2.7
136.04085	3.4
139.04047	1.9
142.48843	1.7
146.06128	2.1
152.99576	3.4
162.01990	4.0
169.01425	2.4
191.97560	4.0
203.95215	6.6
206.58887	1.5
217.95499	10.5
218.96303	4.5
219.97063	3.9
272.97461	3.6
300.99554	3.1
345.06522	1.5
479.05450	5.4
497.06665	55.9
497.25876	2.0
498.06668	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	497.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01772	0.6
59.01370	1.2
71.01380	1.3
71.88246	0.7
72.45496	0.7
73.81855	0.7
75.14483	0.7
79.01885	0.7
84.06494	0.7
96.96021	3.4
98.21780	2.4
107.01400	3.6
109.02946	1.5
111.00903	1.8
123.00904	2.3
124.01708	1.4
125.02482	13.8
126.02804	1.0
136.98792	1.1
137.02419	1.2
139.00380	3.3
140.01202	2.4
149.02429	1.3
151.00363	1.4
153.01970	1.0
154.51866	0.9
161.02429	1.0
161.04546	0.7
163.00383	1.4
165.01936	2.1
166.99879	2.3
168.00684	5.3
169.01456	16.8
177.01988	1.5
182.02267	5.3
183.03003	100.0
184.03348	3.5
193.01585	0.8
194.99316	0.9
206.56540	0.8
225.04062	1.2
248.43686	0.9
295.04535	1.4
296.35324	0.9
305.16052	1.4
313.05722	4.2
327.05038	3.6
345.08307	49.0
346.08768	2.0
465.06931	3.1
497.09381	20.8
498.09747	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	497.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	1.0
69.14828	5.9
69.15231	2.1
71.01390	2.9
71.05023	5.8
77.03958	1.9
83.01378	2.0
85.02940	1.5
91.54098	1.5
93.03485	1.7
95.01400	1.5
95.05028	4.3
97.02952	12.0
98.22484	1.6
101.02448	1.1
107.01412	5.4
108.89478	1.0
111.00900	1.8
121.02981	8.2
123.00902	4.5
124.01694	2.2
125.02461	27.5
132.84412	1.0
137.02455	24.1
139.00381	3.5
139.04027	69.7
140.01152	2.1
140.04359	2.4
150.03255	1.6
151.00398	4.4
163.04050	3.0
165.01945	100.0
166.02290	3.2
168.00677	7.1
169.01445	39.3
170.01854	1.4
175.24664	0.9
183.03009	9.3
190.50461	1.0
207.02985	3.8
211.02496	17.4
241.03404	1.2
247.02524	1.3
271.04617	50.8
272.04886	2.0
313.05685	12.5
331.06702	19.7
332.07114	1.1
345.08292	26.6
440.98749	1.1
453.10065	6.4
456.48834	1.1
479.08435	14.1
480.08868	2.0
497.09402	31.3
498.09595	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	497.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
59.55913	0.6
65.00327	0.6
68.99818	0.6
71.01382	5.0
71.05035	0.8
71.26622	0.7
72.99311	1.2
82.11139	0.5
83.01395	1.1
85.02968	1.2
87.00904	0.7
89.02459	1.4
95.01385	1.1
97.02950	1.3
97.18445	0.6
101.02444	2.1
103.05541	2.1
106.04256	1.2
107.01397	7.6
109.06608	1.5
111.00887	2.9
113.02466	1.3
119.03559	0.7
119.05012	1.2
121.06599	3.3
123.00891	7.6
123.04502	1.1
124.01672	5.2
125.02461	42.2
126.02779	0.8
127.00394	1.4
136.98808	2.3
137.02423	2.0
139.00404	5.5
139.04016	5.7
139.07680	1.5
140.01158	4.6
141.01959	0.7
149.02458	2.1
150.03204	2.7
151.00366	4.6
151.04015	2.9
152.04407	1.1
153.01906	0.7
161.02431	1.3
165.01906	2.5
165.05595	3.0
166.06007	0.9
166.99905	0.8
167.03520	2.2
168.00664	21.4
169.01442	56.0
170.01784	1.8
181.05096	1.3
182.05324	1.1
183.02994	9.0
183.06668	1.8
189.28276	0.6
193.01340	0.7
195.06622	1.1
211.02492	55.8
212.02795	2.4
217.01454	0.6
241.03517	2.3
247.02441	2.0
271.04611	100.0
272.04932	5.4
273.00473	1.7
288.18042	0.7
298.98404	1.1
313.05713	15.5
314.06033	1.1
326.30023	0.6
331.06781	5.7
345.11996	1.6
361.10907	0.9
362.11511	2.3
401.79721	0.7
449.10587	1.5
453.14136	24.3
454.14420	1.5
479.08438	2.4
497.14001	12.2
498.13727	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	497.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07963	9.4
58.51610	8.0
59.01363	22.6
61.98835	100.0
71.01384	32.1
75.00877	21.5
80.91662	11.3
85.15031	8.5
89.02457	22.2
93.03486	9.4
101.02459	13.3
111.00918	9.0
113.30840	8.4
114.94557	8.7
123.00920	11.2
125.02470	44.0
136.96190	9.4
137.02521	16.0
139.00380	15.5
140.01196	12.1
155.86960	8.0
156.31000	8.9
161.02483	10.6
168.00679	47.7
169.01434	56.9
183.04932	10.2
245.14302	8.6
273.22284	19.1
282.75211	9.1
291.12564	18.7
311.12961	18.8
317.10028	12.3
335.11386	92.6
335.22055	23.8
373.90482	11.2
497.16467	10.4
497.20798	13.5
497.27637	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03444	0.8
59.01389	0.8
61.98822	1.1
65.00327	0.7
67.01888	0.6
68.99815	0.7
69.03446	1.2
69.85175	1.3
71.01388	4.0
72.99306	0.7
73.02941	0.8
79.01895	1.1
83.01389	1.0
83.85336	0.2
85.02965	2.8
87.00880	0.6
89.02448	0.4
95.01411	2.1
97.02966	0.9
98.22337	0.4
99.00896	0.6
101.02463	2.7
107.01403	5.2
109.03003	0.3
110.00113	0.9
111.00900	3.3
113.02443	2.9
119.05012	0.4
121.02984	0.3
123.00906	10.8
124.01685	1.1
124.25121	0.3
125.02462	22.7
126.02821	0.5
127.00405	1.5
136.98845	2.0
137.02483	0.4
139.00389	6.2
139.11386	0.5
140.01192	4.4
141.01968	1.4
149.02472	0.6
151.00392	11.1
151.03941	0.3
152.00708	0.5
153.01912	0.6
154.99951	0.4
161.02422	0.4
165.01909	0.6
166.02689	0.9
166.99855	0.8
167.03522	0.7
167.99211	0.3
168.00656	9.3
169.01443	31.3
170.01761	0.9
172.93437	0.3
179.03577	0.6
183.02931	0.4
183.10309	0.7
189.01872	0.4
193.01387	0.6
203.03613	0.3
211.02545	1.3
221.08211	0.9
245.01047	0.3
256.03363	0.5
271.02451	0.8
272.02924	1.5
273.00458	0.4
294.09610	0.3
299.99411	0.4
300.02713	1.0
300.99875	1.2
301.03281	3.4
301.65128	0.3
302.03864	2.7
313.05682	100.0
314.02618	0.5
314.06030	6.5
333.63110	0.3
345.15469	0.4
372.35193	0.3
434.07986	3.4
435.08392	0.4
497.16528	6.2
498.17151	0.8
499.86227	0.3
509.47379	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	497.1672
Annotation	Globulusin B
Peak:m/z	Relative Intensity
54.36324	0.1
55.01891	0.3
57.03453	0.4
59.01381	0.7
61.98845	0.9
67.01919	0.4
68.99825	0.2
69.03464	1.8
69.26618	1.2
71.01385	1.4
71.16200	0.2
73.02956	0.5
74.02467	0.2
75.00900	0.2
79.01903	0.4
81.03477	0.8
83.01399	0.7
85.02977	1.0
89.02407	0.2
95.01417	0.8
97.02966	1.5
98.22008	0.6
98.22588	0.2
99.00878	0.2
99.05652	0.2
101.02444	1.0
107.01405	0.5
110.00107	0.3
111.00906	0.5
113.02462	0.7
120.35041	0.2
123.00896	0.7
124.01707	0.8
125.02460	60.9
126.02827	1.3
137.02477	0.3
137.99553	0.2
139.00397	3.1
139.11298	0.6
140.01204	1.8
141.01920	0.2
143.03554	0.2
143.04655	0.2
145.27348	0.2
146.02596	0.2
153.01962	1.9
154.02721	3.0
155.03494	2.3
161.04559	0.5
166.99860	0.2
168.00638	0.6
168.04295	0.6
169.01442	100.0
169.05003	2.9
170.01793	3.3
183.10260	1.7
198.02522	0.2
208.97351	0.2
211.02507	0.2
301.00027	0.2
306.07858	0.2
313.05750	0.2
369.46222	0.2
497.16727	3.0
497.27628	5.6
498.17072	0.3
498.28262	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	497.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77362	0.4
55.83973	0.3
57.17580	0.3
61.85985	0.5
61.98808	0.5
67.01888	0.6
67.44437	0.5
68.94875	0.9
68.95273	4.3
69.03486	1.9
74.72688	0.5
79.01890	0.5
81.03471	1.3
95.01407	1.1
97.02972	1.8
107.01423	0.9
111.00906	0.5
123.00891	2.8
124.01688	4.7
125.02462	80.2
126.02767	1.8
137.02452	0.5
139.00381	1.0
139.04016	0.6
166.05101	6.3
166.99878	0.7
167.03462	0.6
167.05484	2.2
168.00661	7.9
169.01440	100.0
170.01811	3.1
180.85153	0.4
191.03630	0.5
198.82909	0.4
211.02522	1.8
265.80090	0.4
281.50809	0.4
288.06161	0.4
313.05612	2.6
331.06708	4.0
442.00995	0.5
497.16687	65.2
498.17120	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	497.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
57.03455	1.2
58.00589	0.5
59.01385	5.0
61.98821	1.7
65.13413	0.3
67.01885	1.4
69.03461	2.8
71.01384	5.7
71.05025	0.5
71.26555	0.8
72.99323	0.5
73.02952	0.9
79.01890	2.9
81.03465	0.5
83.01392	1.2
85.02966	1.8
89.02450	1.1
93.07085	0.9
95.01393	4.0
97.02965	0.9
99.00210	0.4
99.00896	0.8
101.02449	1.5
101.95826	0.4
107.01405	10.8
109.02943	1.0
109.06615	1.0
111.00892	1.5
111.08161	1.1
113.02487	2.1
121.02990	0.8
123.00898	27.4
123.08179	1.1
124.01699	0.9
125.02462	35.7
125.06099	0.6
126.02795	0.9
127.07662	4.2
136.98816	0.8
137.02461	1.2
137.06105	2.1
139.00385	6.6
139.11253	2.3
140.01215	2.4
141.01958	3.0
143.04672	0.5
148.82875	0.4
151.00381	18.0
152.00748	0.5
153.01968	1.9
155.03506	0.4
155.07155	2.2
160.35988	0.4
161.02495	0.4
163.00340	0.6
163.03899	0.5
164.88383	0.4
165.01920	1.4
165.09280	0.9
166.99895	1.2
167.03516	1.2
168.00674	3.9
169.01439	61.1
170.01773	1.9
173.02499	0.8
179.03470	0.7
181.01477	0.7
183.03009	0.9
183.10278	3.1
193.01447	1.4
197.11867	1.5
211.02470	8.8
212.02838	0.6
223.02524	0.5
225.11394	2.6
226.11603	0.4
229.01396	0.6
247.02385	0.4
253.03534	1.7
271.04727	0.7
284.03406	0.5
299.05673	0.6
301.00058	1.9
313.05627	5.6
331.06802	0.8
357.23584	0.4
373.01828	0.4
435.12918	2.3
437.14542	1.3
470.59659	0.4
497.16681	100.0
498.17078	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	497.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03444	0.8
59.01389	0.8
61.98822	1.1
65.00327	0.7
67.01888	0.6
68.99815	0.7
69.03446	1.2
69.85175	1.3
71.01388	4.0
72.99306	0.7
73.02941	0.8
79.01895	1.1
83.01389	1.0
83.85336	0.2
85.02965	2.8
87.00880	0.6
89.02448	0.4
95.01411	2.1
97.02966	0.9
98.22337	0.4
99.00896	0.6
101.02463	2.7
107.01403	5.2
109.03003	0.3
110.00113	0.9
111.00900	3.3
113.02443	2.9
119.05012	0.4
121.02984	0.3
123.00906	10.8
124.01685	1.1
124.25121	0.3
125.02462	22.7
126.02821	0.5
127.00405	1.5
136.98845	2.0
137.02483	0.4
139.00389	6.2
139.11386	0.5
140.01192	4.4
141.01968	1.4
149.02472	0.6
151.00392	11.1
151.03941	0.3
152.00708	0.5
153.01912	0.6
154.99951	0.4
161.02422	0.4
165.01909	0.6
166.02689	0.9
166.99855	0.8
167.03522	0.7
167.99211	0.3
168.00656	9.3
169.01443	31.3
170.01761	0.9
172.93437	0.3
179.03577	0.6
183.02931	0.4
183.10309	0.7
189.01872	0.4
193.01387	0.6
203.03613	0.3
211.02545	1.3
221.08211	0.9
245.01047	0.3
256.03363	0.5
271.02451	0.8
272.02924	1.5
273.00458	0.4
294.09610	0.3
299.99411	0.4
300.02713	1.0
300.99875	1.2
301.03281	3.4
301.65128	0.3
302.03864	2.7
313.05682	100.0
314.02618	0.5
314.06030	6.5
333.63110	0.3
345.15469	0.4
372.35193	0.3
434.07986	3.4
435.08392	0.4
497.16528	6.2
498.17151	0.8
499.86227	0.3
509.47379	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	497.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96955	1.2
57.03453	15.5
59.01382	4.6
61.98843	2.1
64.06951	1.3
69.03467	2.8
71.01381	3.2
73.02970	2.9
78.95911	12.9
80.91720	1.3
81.03460	3.2
83.01400	12.1
84.63035	1.2
86.37106	1.1
93.03473	3.7
95.05038	2.7
95.24010	1.4
96.96993	1.4
97.02974	3.4
98.21815	3.8
99.04538	4.4
109.02966	15.2
111.00935	1.7
114.85963	1.4
117.03462	1.3
121.02957	2.0
123.00906	13.9
123.04530	5.5
124.01665	5.8
125.02460	100.0
126.02772	3.0
135.04564	1.9
137.02458	80.4
138.03217	2.6
139.04047	4.6
145.02966	24.2
146.03688	3.7
149.02460	8.1
150.03238	2.5
151.00377	1.7
151.04008	3.7
152.99603	18.0
159.04536	12.9
161.02496	3.0
161.06079	7.9
163.11296	2.9
165.01927	1.7
166.99913	1.6
167.03545	2.0
169.01459	2.1
175.03990	2.0
179.03577	2.4
181.12361	24.6
183.04491	2.9
183.10233	1.4
185.06117	7.7
187.04054	5.7
188.04781	2.2
190.99924	1.4
201.05620	5.2
203.07144	12.3
205.05066	3.5
209.06122	3.1
211.04039	2.3
212.04790	1.4
213.01949	1.6
213.14973	8.5
225.05528	1.8
225.11327	36.2
226.11632	2.1
227.07141	6.5
229.05099	2.3
230.02119	2.4
230.05832	1.4
245.08157	5.9
253.05107	16.0
271.06143	47.6
272.06409	3.1
289.07187	40.9
290.07703	3.4
299.22400	4.4
303.15717	1.6
325.23911	1.6
327.21408	1.4
335.22217	1.4
346.97607	1.2
347.15054	16.8
359.15054	3.3
367.19174	2.6
409.20096	2.2
435.18402	1.4
453.19437	5.4
457.11411	1.5
479.16589	1.7
497.18127	11.4
497.24124	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	497.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	9.5
69.03432	2.6
71.27777	1.9
72.92532	2.0
78.95915	42.7
83.01401	9.5
83.33100	2.0
85.81452	1.7
95.05049	3.2
96.97002	2.7
97.02948	2.5
106.56954	1.8
109.02969	22.5
111.00944	1.8
114.59518	1.8
121.02976	2.5
123.04550	14.7
125.02464	62.5
135.04485	3.5
137.02460	38.4
139.04007	5.5
145.02986	14.5
146.03726	4.2
149.02457	4.7
151.03995	9.9
152.99599	48.5
159.04526	7.3
161.02498	2.3
161.06102	7.8
163.04059	2.9
165.02003	3.9
167.03490	2.8
169.01454	2.8
175.03990	3.9
179.03517	8.3
181.12349	5.3
183.04535	2.5
185.06108	4.7
187.04056	6.1
188.04845	2.5
201.05655	2.4
202.06357	2.0
203.07156	17.7
205.05130	4.7
225.11299	20.6
227.07100	6.0
245.08170	19.2
247.06203	2.3
253.05099	6.6
256.04126	2.4
271.06137	21.5
289.07202	100.0
290.07611	7.0
319.48376	1.9
347.14923	2.6
353.48163	2.0
359.15118	2.8
453.19229	15.7
454.19467	2.4
497.18381	5.0
497.25620	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	497.2764
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
52.84308	0.9
53.27460	0.8
55.01880	4.5
57.03443	4.1
59.01389	19.9
61.98836	12.9
67.13837	0.8
70.06641	0.8
71.01390	39.8
73.02947	15.2
75.00867	1.1
82.95428	11.1
83.01403	6.7
85.02958	22.5
86.00113	1.2
87.00893	1.5
89.02469	6.6
95.01398	4.3
98.22605	2.0
99.00899	5.6
101.02454	32.9
111.00866	1.1
113.02452	16.7
115.73721	1.0
119.03499	2.1
123.00885	1.2
125.02471	2.6
129.02010	1.5
139.00302	1.2
143.03532	1.9
159.02998	2.1
161.04572	12.0
169.01457	4.4
189.01912	1.3
201.16565	0.9
270.29871	1.0
273.22296	8.7
300.99783	1.1
332.70346	0.9
335.22217	1.8
441.01068	1.0
453.28549	3.4
465.16620	1.0
497.27585	100.0
498.20850	1.2
498.27997	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	497.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25513	1.0
55.01863	2.9
56.77730	0.9
57.03452	2.4
57.11545	1.0
57.54152	1.0
59.01132	1.2
59.01385	14.8
61.98837	14.9
69.49062	2.1
69.49468	4.2
71.01387	24.3
71.88763	1.0
71.89864	1.0
72.99288	1.2
73.02955	7.8
83.01379	3.9
85.02961	15.0
87.00841	1.3
89.02441	4.6
95.01386	3.0
99.00871	2.8
101.02449	21.3
107.01365	0.9
113.02446	9.6
123.00860	1.3
125.02449	3.5
159.03032	1.5
161.04558	4.9
169.01375	6.2
193.20720	1.1
201.32217	1.0
219.13965	1.1
291.23361	1.2
335.22345	2.8
497.20416	9.2
497.27490	100.0
498.27597	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	497.2764
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
55.01884	2.4
57.03432	3.8
59.01139	1.2
59.01388	15.5
61.98833	2.2
66.41595	1.1
71.01034	2.1
71.01392	28.9
71.27689	2.1
72.99302	1.5
73.02943	9.2
78.49461	1.2
83.01379	5.3
85.02960	15.3
86.00143	1.4
89.02435	4.8
92.61988	1.3
95.01386	2.9
99.00887	3.4
99.04512	1.5
101.02451	24.5
111.00852	1.9
113.02456	10.6
119.03492	1.7
123.00921	2.0
125.02432	3.8
143.03571	1.9
148.84026	1.1
151.02127	1.2
161.04562	5.9
169.01396	2.9
177.14113	1.1
195.61954	1.6
213.24814	1.3
275.02057	1.3
335.22287	2.9
453.28549	1.6
497.27551	100.0
498.27914	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	497.2764
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
52.11369	1.9
53.19872	1.8
55.01876	4.0
57.03455	4.5
58.00595	3.0
59.01387	41.1
61.98837	4.4
69.10331	1.6
69.37482	1.9
71.01390	65.1
71.27058	2.7
72.99326	3.7
73.02961	19.4
83.01398	8.5
85.02964	29.1
87.00880	3.5
89.02451	28.5
95.01400	6.0
99.00889	7.5
99.92622	3.2
101.02451	47.3
103.54796	1.9
113.02467	27.1
119.03550	10.1
125.02446	4.8
143.03514	2.6
151.11317	9.8
159.02975	3.8
161.04567	24.8
169.01436	3.6
179.05589	2.7
183.44591	1.6
201.53593	2.2
254.56035	1.8
273.22275	12.4
319.23004	2.0
335.15167	4.0
335.22293	5.2
358.24997	2.4
453.28690	9.4
497.20691	5.3
497.27576	100.0
498.27835	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	498.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01394	1.5
61.98835	100.0
65.00327	4.5
69.13594	4.1
69.14016	1.8
71.01411	0.8
78.92592	0.7
83.01415	2.7
85.02992	1.0
86.42232	0.7
89.02489	0.7
98.22576	1.4
107.01392	10.5
109.03004	1.4
123.00945	1.1
123.04560	2.3
124.01717	1.1
125.02451	18.6
125.03336	1.1
133.02989	0.8
135.04584	1.2
137.02451	0.8
139.00383	0.9
139.04008	0.8
149.02477	1.3
150.03233	7.4
151.00381	43.0
151.04001	9.4
151.33292	0.8
152.01180	6.5
153.02014	1.2
166.99832	0.8
168.00731	2.0
169.01433	4.8
170.01845	0.8
170.83470	0.8
175.04083	2.0
177.02022	2.4
178.99864	10.1
189.05728	0.8
199.03979	1.8
201.02019	1.1
213.05559	0.8
217.05119	1.5
240.89185	0.8
241.05130	2.0
275.05649	0.8
285.04065	25.6
286.04523	1.5
302.04373	1.4
303.05124	23.8
304.05576	2.4
309.06415	1.7
312.12546	0.7
420.20529	0.8
435.09381	25.8
436.09882	2.4
498.17123	2.1
499.18692	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	498.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64952	0.4
70.52568	0.6
70.52925	0.5
79.95750	11.5
79.96230	0.7
80.96525	2.6
91.30958	0.3
106.98097	4.8
124.00758	4.4
145.02985	0.6
188.88083	0.4
311.50723	0.3
498.28998	100.0
499.29376	13.5
499.34863	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	498.2902
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
79.95747	11.0
80.96526	4.3
100.36749	0.9
106.98078	5.5
124.00723	3.1
124.61491	1.0
146.46208	0.9
164.52409	0.9
171.39346	0.9
345.45584	1.0
498.28983	100.0
499.29312	12.3
524.27972	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	499.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62211	0.8
72.99332	2.0
78.11211	1.0
90.03502	3.0
92.01400	1.3
92.05078	8.2
98.02471	1.6
99.92596	59.3
100.92627	2.1
100.93378	2.6
105.02210	1.2
107.74580	0.9
109.93420	6.7
115.92088	20.7
116.05103	1.3
116.92874	58.8
117.92889	2.4
118.03001	3.3
119.05034	2.1
125.02446	2.1
125.92912	18.3
126.93680	1.6
130.41397	1.2
131.03819	1.1
133.05348	1.3
134.02512	7.7
134.06161	1.2
136.04077	4.9
141.92369	1.1
142.93213	1.1
144.04556	2.2
146.06177	1.1
155.93991	2.3
157.91891	5.1
160.04036	1.0
161.82373	0.9
162.01978	2.5
168.00737	1.2
169.01460	2.5
171.05682	1.2
174.05595	1.9
183.02936	1.3
189.96060	10.4
190.96768	2.3
191.95244	1.0
191.97580	7.3
200.97606	0.9
203.95212	17.4
204.95311	1.2
216.97017	1.5
217.93373	1.8
217.95525	37.0
218.96275	9.2
219.97076	9.5
227.97702	1.3
229.99220	1.3
231.96980	1.5
238.99184	1.3
243.97009	2.6
249.98169	1.1
255.97145	2.0
257.00314	5.1
257.98584	10.4
258.98621	1.0
259.96646	1.4
271.96484	2.5
272.97244	3.9
273.98193	7.0
274.98535	1.4
282.98148	5.1
287.25516	1.1
289.97681	1.9
296.96060	1.5
300.99243	100.0
301.99957	7.6
314.97366	1.2
316.99228	1.2
328.98654	1.6
337.07339	1.0
344.98199	26.5
345.98425	3.4
356.98306	2.5
374.99313	7.6
375.04346	2.2
419.03397	14.4
420.03546	1.2
437.04495	2.0
455.87448	1.1
481.03409	6.0
499.04529	19.4
499.18350	3.4
500.05032	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	499.066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82327	1.2
59.01371	4.6
61.98838	9.1
63.02402	2.2
65.00357	6.1
69.03442	1.6
71.01394	6.5
71.27191	1.5
72.99302	1.3
73.02957	1.6
83.01395	5.2
85.02934	1.8
89.02402	2.6
93.03465	2.1
96.96021	2.7
101.02444	4.9
107.01402	14.5
109.02945	3.4
110.22139	1.4
113.02456	2.7
117.85102	1.2
121.02966	9.3
123.00904	7.0
124.12534	1.2
125.02468	24.6
125.28413	1.5
136.98845	1.4
137.02441	3.7
138.01982	8.9
139.00349	3.5
145.02969	1.6
150.03270	1.7
151.00391	57.5
152.00740	2.2
153.01981	4.0
167.03517	1.4
169.01448	29.0
170.01738	3.1
177.01874	3.0
178.99898	23.1
193.01474	1.3
211.02455	2.1
227.03497	1.3
229.05054	2.2
273.04031	3.3
291.97073	1.3
297.06174	5.5
300.02863	2.6
301.03577	100.0
302.03857	6.8
315.05081	7.3
340.97870	1.3
347.17166	7.2
436.08566	2.2
455.18970	2.1
463.08887	73.4
464.09195	7.5
499.18231	41.7
500.17966	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	499.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64914	1.3
59.01368	2.6
64.17511	1.4
66.89080	1.8
69.68892	6.0
71.01376	3.8
73.02938	2.3
78.85526	1.4
78.96086	1.5
83.01422	1.9
85.02946	4.3
87.42670	1.3
92.37110	1.3
93.03471	1.5
98.69839	1.6
101.02425	3.2
109.02973	3.4
111.41192	1.4
113.02463	2.0
119.05015	2.3
121.02924	1.5
123.00847	2.3
124.01693	1.9
125.02455	5.2
129.01956	5.3
131.05014	3.0
137.02452	13.8
145.02957	3.1
147.04498	5.3
149.02470	6.9
151.03998	1.7
157.02937	3.0
159.04532	10.5
161.02472	1.7
161.06075	1.6
163.00397	36.2
163.04076	3.6
164.01082	1.5
165.01933	4.5
169.01469	2.0
173.02434	3.4
175.04036	7.7
177.01932	6.6
177.05527	4.0
185.02428	5.3
187.04019	5.4
189.01968	2.3
190.02715	4.1
190.99867	3.1
191.03494	6.8
192.00665	2.3
193.01476	13.4
201.01976	9.1
203.03526	23.4
204.04031	1.7
205.01418	4.1
205.05070	16.1
206.99405	3.2
213.01904	2.3
217.01367	2.9
218.99394	1.9
219.02986	3.4
221.04565	6.0
229.01428	16.5
231.02982	23.4
233.01076	2.0
235.02197	1.4
237.00415	13.3
245.00826	4.5
247.02521	14.3
248.02780	1.9
249.04051	23.5
256.98541	2.2
257.00970	25.1
258.01581	4.7
273.00375	4.3
274.01114	1.7
275.02011	100.0
276.02332	6.9
279.01578	6.1
283.99808	1.7
291.01346	1.6
293.03064	39.8
294.03348	3.2
299.99524	1.6
300.99933	77.2
302.00259	4.9
319.01068	7.5
335.04315	2.6
337.01947	5.6
339.03662	4.6
379.03091	10.6
395.06165	8.4
399.05777	5.5
409.03973	2.0
421.03909	4.4
439.05289	11.1
455.08163	9.4
481.06198	26.2
482.06488	3.4
499.07288	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96386	1.9
58.34036	1.7
59.01389	2.4
66.99716	2.4
69.45375	3.8
69.45782	7.5
69.58610	1.7
71.01373	2.3
73.34487	2.1
79.17827	1.7
79.56037	1.6
82.44918	1.7
85.02958	3.3
89.03980	2.4
91.01926	2.9
98.21864	4.0
101.02454	2.8
109.02937	4.4
117.01943	1.9
117.03470	2.5
119.05015	2.4
123.00896	1.9
124.01648	2.2
125.02479	3.2
129.01947	6.7
129.15695	1.7
131.05035	2.1
137.02434	14.0
144.91080	1.9
145.02977	3.0
147.04582	3.0
149.02448	4.7
157.02872	2.4
159.04469	9.3
161.02428	2.8
163.00385	51.6
163.03961	3.8
164.01047	3.0
165.01959	6.5
166.80255	2.0
169.41855	1.9
173.02545	3.1
175.03969	7.4
177.01935	9.3
177.05659	3.8
185.02415	6.7
187.04024	5.9
189.01907	3.4
190.02734	2.7
190.99846	2.9
191.03456	7.0
192.00568	3.1
193.01450	12.8
201.01935	9.7
203.03494	23.0
205.01357	5.0
205.05089	12.6
206.99341	7.0
209.00871	3.9
217.01447	2.5
219.02960	5.5
221.00887	2.0
221.04512	7.1
229.01422	17.6
231.02975	27.9
237.00357	12.4
245.00972	8.0
247.02544	7.8
249.04083	23.5
250.01051	2.3
257.00909	28.6
258.01590	5.9
273.00485	3.4
275.01996	98.1
276.02258	7.2
279.01453	3.4
283.99716	3.9
293.03052	39.8
300.99930	100.0
302.00250	6.6
319.00851	3.9
337.01987	5.5
338.33722	2.0
339.03632	6.0
379.03085	14.1
395.06155	5.1
399.05923	4.5
421.04059	4.5
439.05194	13.9
455.08450	4.8
481.06235	32.6
482.06613	4.6
499.07370	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	499.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15437	1.1
59.01371	4.2
61.98827	8.1
65.00327	6.8
65.75713	1.2
71.01371	1.7
71.27544	1.6
71.27956	2.0
75.55661	1.2
78.95897	1.6
79.37836	1.2
81.06181	1.1
82.95383	1.9
83.01401	3.6
89.12950	1.2
91.15917	1.1
93.03479	1.4
95.01405	3.0
97.02962	4.9
97.29841	1.2
107.01402	8.0
109.02951	11.4
121.02962	8.4
123.00893	3.0
123.04556	2.6
125.02453	30.0
126.02862	1.1
133.02933	1.8
137.02458	3.3
139.03975	1.6
145.02948	2.2
149.02446	7.8
151.00380	15.8
151.04013	3.4
161.02438	2.9
163.00368	4.9
164.01056	1.2
165.01933	17.5
169.01437	39.5
170.01732	1.9
177.01955	8.3
185.06056	1.5
187.04022	5.0
188.04764	1.6
189.99136	1.4
201.05566	1.8
205.01384	3.7
205.05089	2.8
208.86267	1.1
228.04721	1.3
229.05022	12.5
231.02971	4.5
247.06110	4.8
253.04816	1.8
271.06119	4.7
273.04120	2.9
297.04071	9.2
315.05130	100.0
316.05630	8.2
319.29868	1.2
333.06104	4.4
347.07642	5.9
467.06073	5.0
469.97729	1.3
488.70090	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	499.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	6.8
69.03458	1.6
71.01401	1.1
83.01383	4.0
85.02959	0.9
93.03475	2.5
95.01397	1.3
97.02959	5.7
98.67464	0.8
107.01394	5.4
109.02966	11.3
117.03487	5.1
119.05036	2.4
121.02961	7.0
123.00862	4.0
123.04554	1.9
125.02460	25.4
126.79560	0.7
137.02501	4.5
139.04089	1.8
143.16994	0.8
145.02983	14.9
146.03343	1.2
149.02455	6.7
151.00397	16.0
151.04019	3.1
159.04535	2.6
160.01662	1.3
161.02477	2.7
161.06104	0.9
163.00409	6.9
163.04027	1.4
165.01950	17.7
166.02603	0.9
168.00571	1.1
169.01453	33.7
170.01736	0.9
175.04045	1.5
177.01956	8.6
180.04277	4.4
185.06140	0.8
187.03992	5.1
189.01868	1.1
192.00636	1.3
193.01413	2.4
195.06631	12.7
201.05649	1.7
205.01369	2.7
205.05054	3.2
207.06624	2.3
211.04030	1.1
229.05031	9.7
231.03020	4.8
247.06139	4.6
255.03130	0.9
271.02127	0.8
271.06122	3.6
273.04025	2.7
295.36304	0.9
297.04062	10.1
298.04330	0.9
301.10849	16.6
315.05142	100.0
316.05420	6.9
321.85745	0.7
333.06137	3.0
347.07748	4.0
467.06076	3.7
499.12714	1.6
499.29221	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	499.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95883	0.3
53.93851	0.2
59.01378	0.5
61.98829	2.0
63.94063	0.3
67.01884	0.4
69.03456	1.7
71.01376	0.4
71.28035	0.3
71.83253	0.3
77.46867	0.3
79.01904	0.5
81.03448	0.7
95.01385	0.6
97.02953	1.5
107.01404	0.8
109.02965	0.4
123.00891	0.8
124.01694	1.1
125.02457	57.5
126.02773	1.5
137.02454	1.4
138.48755	0.3
139.00378	0.3
143.14838	0.3
151.00383	0.4
161.02405	0.3
165.01935	0.9
168.00642	0.9
169.01440	100.0
170.01782	3.3
175.04001	0.3
184.38994	0.3
202.50475	0.3
209.00912	0.9
285.04312	0.3
289.07248	0.6
296.77139	0.3
347.17072	0.5
366.64636	0.3
412.94608	0.4
415.92773	0.3
499.18103	3.8
500.18900	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	499.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26218	1.4
53.86425	1.3
59.01397	8.0
59.46385	1.5
61.98845	1.7
64.79165	1.5
69.03469	2.7
69.23612	11.5
71.01386	4.6
74.16132	1.5
80.91694	29.7
83.01409	1.8
85.02961	4.8
87.04534	7.0
89.02452	2.9
97.02949	3.7
98.21790	3.2
101.02464	2.6
103.48768	1.4
109.02966	2.7
111.00927	8.0
113.02457	2.2
123.00894	1.7
125.01543	2.7
125.02464	47.6
125.03339	3.0
137.02510	1.6
137.09756	5.9
139.00389	18.5
140.01172	100.0
141.01984	7.5
153.01813	2.9
154.02753	5.1
155.03525	91.1
155.10788	32.0
156.03819	2.0
157.90306	1.8
168.93726	1.5
169.01445	77.3
170.01752	2.8
179.10840	2.7
181.08710	2.5
199.09770	34.7
214.98422	1.7
219.52814	1.7
223.09793	2.3
241.10880	6.2
253.10783	3.7
255.12384	2.3
282.18903	1.8
283.11942	16.3
301.03574	2.2
343.14056	3.5
439.21857	5.2
463.08813	1.7
499.18253	44.0
500.18433	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	499.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72937	8.6
59.01379	83.6
71.01385	44.1
71.06883	19.4
73.02962	15.1
85.02956	18.7
87.00890	8.1
87.04545	12.8
89.02448	19.2
101.02473	32.4
113.02474	13.8
119.03541	13.8
125.02415	12.8
135.08185	17.8
219.24193	7.8
221.00746	8.7
233.15533	11.1
239.94543	8.4
251.16544	100.0
306.70358	9.0
321.17102	13.5
334.41125	9.8
395.20709	71.1
413.21857	88.5
455.23157	45.9
498.63593	10.2
499.28165	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	499.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78677	1.0
59.01385	100.0
59.42960	0.9
60.01711	1.2
68.78271	1.0
69.20069	8.3
71.01380	4.5
74.00607	0.9
84.77899	0.9
85.02921	1.5
89.02454	1.5
90.46614	1.1
98.22306	4.1
101.02464	3.2
108.28559	0.9
113.02457	1.3
114.66869	1.1
161.04623	1.2
191.86774	1.1
256.42346	0.9
397.22318	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	499.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31321	0.6
53.77387	0.7
54.29983	0.6
56.65447	0.6
59.01383	100.0
61.98838	2.1
69.91862	3.0
71.01387	5.5
73.02957	1.8
73.82877	0.6
80.91696	3.0
83.01421	0.9
85.02980	1.5
89.02470	2.4
95.01389	0.8
98.21918	0.9
98.22439	0.8
101.02443	3.5
111.00889	1.2
113.02493	1.9
119.03490	0.8
123.00928	2.1
125.02441	3.1
129.13597	0.8
136.98810	0.8
140.01205	1.1
151.00429	0.9
161.04597	1.1
168.00723	0.9
169.01396	4.6
170.02023	0.7
201.01978	0.7
229.01695	0.7
258.96472	0.6
293.14099	3.5
301.00012	2.0
319.11972	3.2
337.13010	8.0
337.23785	1.2
455.15457	0.8
493.98230	0.7
499.18875	0.8
499.29056	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	499.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03447	2.6
59.01383	9.0
61.98839	6.4
62.88803	0.6
65.00327	0.9
67.01908	0.8
69.03471	3.2
69.77239	0.6
70.72729	1.1
70.73069	0.7
71.01390	23.6
72.99307	1.0
73.02953	7.3
78.77245	0.6
81.03492	0.6
83.01402	4.9
85.02964	12.1
87.00865	1.0
89.02460	2.3
95.01382	3.0
95.79211	0.7
96.96018	2.0
97.02939	2.3
99.00895	3.1
101.02451	16.2
107.01392	1.8
113.02462	8.1
123.00913	2.1
124.01674	1.4
125.02460	72.3
126.02802	23.3
127.02900	13.7
136.05292	0.9
139.00410	1.0
141.61493	0.6
145.02911	0.9
154.76381	0.6
159.03067	0.8
161.02493	0.9
161.04594	4.7
163.00389	1.1
163.04054	0.6
165.09262	1.2
168.00624	1.4
169.01445	100.0
170.01784	45.5
171.01904	46.0
172.02231	1.3
189.02000	2.4
190.02654	0.9
191.03508	0.7
211.02483	1.0
217.01451	5.1
218.02095	1.4
231.03059	0.7
233.60991	0.7
245.00928	9.4
246.01656	4.6
247.02464	2.8
275.01996	0.9
293.24884	1.6
300.99872	1.6
337.15088	0.8
337.20187	0.9
347.17242	1.5
356.67886	0.6
386.59216	0.7
455.09796	4.3
455.29614	0.6
499.18384	10.2
499.29181	63.0
500.18030	1.4
500.29712	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	499.2919
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
52.10825	0.4
55.01883	3.6
57.03445	2.1
58.00573	0.6
59.01386	25.0
61.98819	0.5
69.92502	1.1
69.92878	1.3
71.01389	30.8
72.99312	2.0
73.02576	0.9
73.02952	12.0
75.00914	0.6
83.01395	9.1
85.02956	17.7
86.00101	1.1
87.00872	2.3
89.02460	4.5
90.00155	0.5
95.01393	2.7
97.02961	1.1
99.00886	5.7
99.39120	0.5
101.02451	32.8
102.02776	0.7
111.00889	1.8
113.02463	13.6
119.03500	1.9
120.35854	0.6
129.01997	1.0
131.03482	0.6
143.03549	0.8
159.02972	2.4
161.04570	10.4
209.64351	0.5
271.89944	0.6
293.24921	1.6
312.25400	0.5
455.30115	5.9
499.29187	100.0
500.29575	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	500.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79482	0.3
51.93450	0.3
57.99160	0.4
59.01384	0.7
61.98836	100.0
71.01428	0.5
71.25985	0.6
89.02451	0.5
98.22052	0.6
109.31889	0.4
123.00948	0.5
125.02493	1.2
126.02713	0.4
148.72107	0.4
151.00481	0.4
166.21735	0.4
169.01440	2.1
175.04214	0.4
256.76599	0.4
473.18234	0.4
500.18439	0.9
501.19540	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	500.2507
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
50.09328	0.4
52.18119	0.4
57.05944	0.7
58.00582	0.4
58.02985	0.9
59.01387	7.2
69.27647	1.6
69.28050	1.1
71.01393	3.3
83.01385	0.6
85.02988	0.5
89.02464	1.9
98.22586	0.7
101.02454	1.7
113.02444	1.2
114.66753	0.4
119.03529	0.9
124.49922	0.5
125.02457	1.4
128.10831	2.1
130.08754	100.0
131.09064	2.0
169.01427	1.4
172.09801	3.5
320.18665	0.6
438.96085	0.5
500.25073	76.4
501.25467	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	501.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76915	0.5
52.46596	0.7
59.01365	1.2
60.40086	0.7
69.18962	2.4
69.19395	2.2
83.01409	0.6
83.83500	0.5
93.03472	1.2
107.01390	2.4
108.78225	0.6
117.03500	0.8
121.02917	0.6
132.02106	0.7
135.00850	1.0
143.05009	0.7
145.02986	1.8
151.00412	2.8
155.26933	0.5
159.04619	0.7
163.00430	1.1
164.01181	0.8
171.04536	0.9
178.99881	3.0
183.04562	3.2
187.04031	1.4
199.04048	1.2
211.03975	3.1
227.03522	79.7
228.03876	4.5
229.05098	3.7
230.05089	0.7
239.03604	1.4
255.03011	100.0
256.03629	9.7
257.04498	2.0
284.03293	88.4
285.04028	39.3
286.04440	2.5
322.69391	0.7
501.10443	66.1
502.10779	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	501.3954
Annotation	docosyl ferulate
Peak:m/z	Relative Intensity
53.82100	0.9
54.76237	0.9
58.85547	0.8
66.14778	0.8
69.45589	0.9
70.60057	2.0
95.05038	1.6
139.04028	24.3
152.04790	1.8
358.78012	1.0
397.23486	0.9
501.39532	100.0
502.39902	13.9
529.18475	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	502.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25588	6.0
55.93201	6.6
56.83976	5.4
61.98813	8.5
68.17570	6.3
69.03885	28.3
69.04304	35.1
76.03421	5.9
78.94312	5.7
93.32019	7.0
96.59917	6.3
96.96030	15.5
102.56084	5.9
107.01430	6.7
113.50623	5.9
123.00844	6.6
125.02470	100.0
125.99950	6.2
132.18071	5.8
135.04514	8.7
137.02454	13.3
149.02444	10.6
153.01894	12.2
163.04005	7.5
169.01425	51.1
179.03479	12.0
193.01509	6.4
196.83174	6.1
205.04997	10.0
205.76628	5.3
211.04512	6.2
269.66577	7.1
276.00943	7.3
285.04034	13.7
286.04520	14.9
313.05634	19.6
337.01990	27.1
432.95532	6.4
439.08871	97.4
440.09140	7.1
464.92407	6.6
466.09671	7.7
523.72491	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.49362	27.3
71.01364	14.2
89.02444	6.7
97.68385	4.5
101.02457	10.3
123.54901	4.8
255.02954	16.1
271.02493	26.6
300.02811	39.4
301.03540	16.4
325.60150	5.9
399.23785	14.5
417.24875	21.9
503.08328	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	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35824	0.1
59.01389	1.0
62.88866	0.1
69.97912	0.1
71.01380	0.2
78.95911	7.2
83.05049	0.2
98.22538	0.2
127.07644	0.3
152.99590	0.7
168.04335	2.0
205.19594	0.1
224.06964	1.3
233.22707	0.3
242.08029	3.2
243.08244	0.1
258.47910	0.1
259.20660	0.5
275.20151	0.4
277.21738	100.0
278.22079	6.9
278.25223	0.2
412.84497	0.1
502.29456	4.9
503.29590	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	503.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20414	0.6
54.92646	0.7
59.01395	1.1
62.00213	0.7
63.02398	0.6
69.79436	1.7
69.79840	2.4
71.24583	0.7
98.21885	0.9
107.01421	2.9
108.02196	2.1
109.02957	1.1
121.02925	1.6
125.02460	0.7
130.90849	0.6
135.00923	1.4
148.01709	2.1
151.00378	9.2
163.00412	1.9
164.01068	0.7
178.99925	5.6
199.04120	1.7
211.03999	1.6
214.30000	0.7
215.03525	1.3
216.04234	0.7
226.02853	1.7
227.03459	4.4
234.13243	0.7
238.65094	0.7
243.02992	12.9
244.03540	1.1
245.04456	1.6
254.02260	2.1
255.03012	28.9
256.03381	2.2
271.02509	61.3
272.02936	5.0
273.03909	1.0
283.02478	1.0
299.02051	2.0
300.02786	100.0
301.03494	40.8
302.04047	2.1
318.57440	0.7
433.07800	2.0
457.07483	1.6
461.07309	6.6
475.08826	11.7
476.09601	0.9
503.08356	32.1
504.08514	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	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.3
71.01381	2.7
71.28194	1.0
78.95885	0.6
85.02965	0.6
87.00909	0.6
89.02447	1.3
95.43133	0.4
101.02442	0.5
105.03471	0.6
107.01341	0.4
113.02473	0.6
117.03461	1.4
123.04505	0.6
125.02455	2.1
132.02180	2.6
133.02963	20.8
134.03612	0.8
135.04532	27.7
136.04816	0.5
137.02394	0.6
149.02457	0.8
149.06062	1.4
160.01689	3.6
161.02454	100.0
162.02835	3.3
163.04155	0.5
169.01425	2.7
175.03966	0.8
177.05591	2.7
179.03502	46.0
180.03851	1.5
193.01457	0.5
203.03502	3.0
205.05025	1.0
221.04526	2.5
249.04137	0.7
251.05655	0.5
281.06644	1.1
285.04037	1.0
300.99805	1.3
304.29373	0.5
323.07739	8.2
337.01929	0.6
341.08789	55.4
342.09216	3.2
345.61926	0.5
365.08917	0.8
440.62589	0.5
503.14157	12.6
504.14484	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	503.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75645	0.4
53.74899	0.3
59.01378	0.9
68.91013	0.4
69.01238	0.4
70.85139	0.6
84.01820	0.3
89.57093	0.4
93.03448	0.4
118.28229	0.3
121.02924	1.9
121.06608	0.7
121.14421	0.3
133.02946	1.4
134.03757	45.5
135.04071	1.4
137.02461	7.9
139.04044	3.2
149.06088	13.8
150.03220	1.1
169.01442	0.4
178.02724	33.2
179.03128	1.2
193.05069	100.0
194.05382	4.3
235.06140	1.1
253.12271	0.5
296.06213	0.4
352.36786	0.4
468.81116	0.4
503.10828	0.4
503.23141	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	503.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07825	2.2
58.02985	15.3
59.01390	18.9
61.10365	2.3
61.98805	3.1
62.63170	2.8
65.98065	2.3
68.98100	5.9
68.98509	21.4
74.02490	27.1
81.04600	2.7
81.96068	2.3
82.02962	3.1
82.25013	2.5
83.04088	2.3
84.10079	2.4
85.02982	2.4
86.02501	12.6
87.05646	5.7
97.04060	4.5
99.05646	26.9
101.07228	2.8
102.05602	6.8
107.01479	3.1
108.45978	2.5
109.04078	3.8
110.00711	4.4
111.05631	4.1
112.04061	4.9
123.00912	3.0
123.05628	2.9
125.02425	10.8
125.03182	12.7
126.03868	3.6
127.05112	3.2
128.03557	83.9
135.05659	8.6
141.06757	3.0
142.80582	3.2
143.04636	100.0
145.06241	4.0
146.04599	8.7
153.06696	6.4
158.72716	2.6
166.09882	6.3
167.04681	4.9
167.08272	4.2
169.01448	21.0
170.03230	3.3
179.04625	29.5
185.05763	5.0
197.05722	5.8
210.08966	31.7
230.10083	8.4
254.07843	53.0
267.06635	3.8
272.08911	64.5
273.02783	3.1
282.08716	2.4
297.11417	5.9
344.11426	9.6
345.99646	2.4
374.15137	3.7
404.59204	3.7
485.18427	3.3
503.19852	37.6
503.27859	3.9
504.20236	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	503.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.4
58.19792	5.1
59.01391	10.8
65.00512	5.0
69.03468	12.9
69.04283	50.2
71.01376	14.5
75.05591	5.1
79.64601	6.3
83.73268	5.6
87.00893	11.1
87.76411	5.6
101.02475	6.6
111.00886	56.9
118.05968	5.8
125.13998	5.7
134.03787	5.9
139.11301	25.1
151.07651	9.3
161.04585	25.5
169.01492	6.3
183.10307	100.0
184.10588	10.1
188.05679	8.5
195.06648	24.3
212.85538	6.0
229.04300	5.8
247.09343	6.5
256.03293	8.9
258.03964	6.1
285.03796	6.7
286.03793	7.2
287.04474	5.6
305.14291	7.2
491.38464	5.8
503.11313	17.0
503.18961	7.0
503.32516	13.6
517.58093	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	503.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.1
60.99306	15.0
61.98818	10.2
67.03813	3.1
69.89047	6.3
69.89436	7.3
74.57050	3.3
83.05061	3.4
87.00897	5.3
88.98816	100.0
95.88209	3.1
95.92727	2.9
98.22408	6.6
125.02454	3.4
139.48854	3.2
151.00383	6.5
153.98064	3.1
169.01498	7.4
178.99887	7.9
189.55826	3.5
207.09691	3.2
227.03398	4.7
243.03027	15.1
255.03192	22.4
271.02499	57.7
272.02917	6.1
299.99338	8.0
300.02750	88.0
301.00058	5.7
301.03531	38.1
314.00607	4.2
315.01535	5.3
348.07629	3.4
461.07257	6.1
475.08850	10.4
503.08353	33.4
509.35092	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	504.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50564	1.6
61.33437	1.7
61.98835	8.9
69.03094	16.0
69.03397	2.6
69.94703	1.5
81.68777	1.5
91.38230	1.7
97.02984	4.0
98.21796	3.1
107.01398	1.9
109.02297	2.1
109.02918	8.0
111.00911	1.8
123.04556	5.8
125.02457	62.8
137.02470	5.0
145.02956	2.7
149.02431	3.2
151.04010	5.1
157.00069	2.0
166.99884	2.0
168.00697	2.2
169.01436	100.0
170.01756	3.9
179.03543	2.2
181.40427	1.7
187.04041	2.6
193.01436	3.4
203.07166	6.2
205.05013	5.7
227.07137	2.2
230.20839	1.7
245.08220	7.1
266.38025	1.9
271.06155	4.4
289.07205	34.7
290.07523	1.9
303.05212	3.0
331.04892	2.8
406.54315	1.7
441.08270	28.6
453.99597	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	504.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60006	1.0
59.01377	2.1
61.98830	14.0
69.13914	2.4
69.14310	9.6
71.01376	3.5
73.02956	1.5
75.36152	1.3
78.46875	1.1
84.40634	1.0
85.02959	3.3
92.11000	1.1
97.02961	1.1
98.22540	2.0
101.02444	1.5
107.01401	3.2
111.00853	1.6
114.87054	1.0
123.00895	11.8
125.02455	21.0
134.03700	1.1
139.00404	3.3
139.83124	1.1
140.01157	1.9
141.01935	1.8
151.00359	7.6
151.04071	1.0
166.05116	4.4
168.00624	4.2
169.01443	33.0
176.03506	1.8
177.04086	6.5
214.46274	1.1
329.05219	2.0
413.30896	1.2
418.35449	1.3
441.17676	100.0
442.17920	10.8
504.17963	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	504.1877
Annotation	Isoalangiside
Peak:m/z	Relative Intensity
51.30263	0.7
59.01389	1.9
71.01369	1.2
98.21748	2.1
98.22459	4.2
107.01397	1.3
109.02954	1.9
117.03497	1.1
123.00991	0.9
124.01631	0.8
125.02454	15.5
133.02942	1.0
134.03751	6.4
135.04547	14.6
145.02972	0.9
146.06136	0.9
147.04535	6.8
148.05318	37.1
149.05997	2.9
161.02481	2.2
162.05658	0.8
162.06921	2.8
163.04134	1.2
164.07161	1.2
169.01443	28.6
170.01738	1.5
173.02417	1.1
176.03555	4.3
177.04323	4.1
178.05112	30.6
179.05423	1.2
188.07236	1.3
189.02057	1.1
190.05122	12.0
191.03468	4.6
192.06696	1.5
193.85979	0.9
204.06619	1.8
217.01561	1.1
229.01425	1.1
245.00970	2.6
247.02557	2.7
270.98721	1.1
273.00473	4.2
275.01987	1.2
283.09906	1.5
291.01474	3.1
298.98419	1.6
299.99167	17.0
300.02539	1.8
300.99988	7.0
301.03363	1.4
326.10266	1.0
327.11151	10.3
342.13480	100.0
343.13791	9.2
505.06177	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80130	2.9
59.01381	25.7
64.51775	3.1
69.06366	31.0
71.01392	18.0
82.95422	3.2
85.02960	4.1
87.00906	3.2
89.02450	23.7
93.03471	55.3
109.03000	7.9
123.65821	3.0
125.02457	7.8
137.02460	100.0
149.04602	3.8
159.04480	16.7
183.66304	3.6
203.03477	5.3
205.05032	5.2
209.44009	3.0
242.02110	3.1
243.03107	4.4
259.02548	8.1
270.01767	4.8
271.02438	26.0
281.08194	4.4
287.01944	23.9
296.10568	13.7
297.11331	5.7
311.12955	66.1
312.13101	3.9
315.01498	30.1
316.02280	65.8
330.03741	5.3
331.04587	70.2
343.04797	3.4
367.10733	3.8
427.94943	3.4
441.16187	3.3
445.07730	3.5
452.92294	3.4
454.85651	3.4
463.09247	4.4
482.39178	3.1
504.19397	3.0
505.10043	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50970	0.1
50.96830	0.1
59.01365	0.4
71.01396	0.2
78.95911	7.5
80.84215	0.1
90.24649	0.1
120.29737	0.1
152.99597	1.3
159.46605	0.1
164.78336	0.1
168.04324	1.7
171.00584	0.2
183.16861	0.1
211.12225	0.1
220.89227	0.1
224.06978	0.9
238.81944	0.1
242.08003	2.7
243.08287	0.1
261.22195	0.5
277.19278	0.1
277.21750	5.2
279.23306	100.0
280.23648	7.5
290.35684	0.1
504.31015	5.9
505.25217	1.0
505.31592	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	505.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00079	5.2
75.12602	0.6
85.02934	0.7
87.96482	0.5
88.89072	0.5
95.68258	0.5
98.21879	1.7
98.22550	0.7
100.13586	0.5
109.93449	0.4
111.85470	0.5
125.02450	0.6
160.01651	1.1
167.21542	0.5
167.85867	0.5
169.01407	1.1
172.01704	1.0
185.02470	1.4
188.01196	0.9
190.29527	0.4
200.01202	2.2
201.01791	0.7
216.00650	3.7
216.65764	0.5
226.99889	0.9
228.00592	0.7
229.01390	1.7
242.99367	2.1
244.00204	2.4
257.00903	2.2
270.98853	2.1
271.99579	0.7
283.99454	0.9
298.98328	1.4
299.99146	100.0
300.99841	28.3
302.00241	2.0
411.65833	0.6
505.06302	53.6
506.06549	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	505.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
69.15548	0.3
69.17912	1.3
69.18321	0.8
72.56109	0.3
85.02958	0.4
98.22466	0.6
112.71158	0.3
129.03445	0.3
132.02173	0.6
144.02165	0.5
157.03027	0.3
160.01672	1.0
163.00400	0.3
169.01282	0.3
172.01665	2.0
173.02365	0.5
176.01210	0.3
185.02446	0.8
188.01157	1.1
200.01186	2.9
201.01956	0.7
216.00636	3.2
226.99951	0.6
228.00688	1.3
229.01419	1.2
242.99387	1.8
244.00139	3.8
245.00807	0.6
254.99332	0.3
257.00833	0.9
270.98831	1.4
271.99597	1.9
282.98941	1.6
283.99557	0.9
298.98407	1.4
299.99142	100.0
300.99869	45.0
302.00253	2.3
312.89893	0.3
394.34421	0.3
434.85632	0.3
445.04398	0.6
505.06284	56.6
506.06589	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	505.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
69.15548	0.3
69.17912	1.3
69.18321	0.8
72.56109	0.3
85.02958	0.4
98.22466	0.6
112.71158	0.3
129.03445	0.3
132.02173	0.6
144.02165	0.5
157.03027	0.3
160.01672	1.0
163.00400	0.3
169.01282	0.3
172.01665	2.0
173.02365	0.5
176.01210	0.3
185.02446	0.8
188.01157	1.1
200.01186	2.9
201.01956	0.7
216.00636	3.2
226.99951	0.6
228.00688	1.3
229.01419	1.2
242.99387	1.8
244.00139	3.8
245.00807	0.6
254.99332	0.3
257.00833	0.9
270.98831	1.4
271.99597	1.9
282.98941	1.6
283.99557	0.9
298.98407	1.4
299.99142	100.0
300.99869	45.0
302.00253	2.3
312.89893	0.3
394.34421	0.3
434.85632	0.3
445.04398	0.6
505.06284	56.6
506.06589	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	505.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75085	0.4
59.01363	0.4
62.63569	0.4
65.00317	1.2
68.88157	0.4
70.73216	1.4
70.88595	0.6
78.51319	0.4
83.01398	0.6
99.27253	0.5
107.01396	1.7
108.02192	1.6
109.02962	0.9
121.02974	1.5
135.00871	0.9
147.04639	0.5
148.01692	1.5
149.02470	0.5
151.00381	8.3
163.00365	1.5
164.01167	1.0
178.99911	4.0
187.03986	0.7
192.00656	0.5
199.04062	1.1
211.04004	0.9
215.03506	1.2
225.99451	0.6
226.02814	0.9
227.03554	3.4
228.04243	0.5
243.03001	11.3
244.03435	0.7
245.04526	0.9
254.02229	1.9
255.02998	23.5
256.03452	1.4
271.02496	52.0
272.03036	4.7
273.03937	0.8
283.02573	1.4
299.02054	1.8
300.02771	100.0
301.03494	38.2
302.03766	2.7
334.31900	0.5
445.07932	0.6
463.08868	5.6
464.09247	0.5
503.63492	0.5
505.09933	44.8
506.10086	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	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89233	0.5
58.10868	0.5
63.02396	0.8
65.00315	1.0
83.01389	1.1
86.64288	0.5
98.21814	1.4
107.01417	3.1
108.02205	1.3
109.02938	2.0
117.46856	0.5
121.02966	1.8
135.00966	0.8
148.01674	1.7
151.00385	10.3
162.67233	0.4
163.00398	2.7
175.03960	0.6
178.99881	5.2
183.04564	0.5
187.03969	0.7
190.99905	0.6
199.04010	1.4
203.03633	0.5
211.03975	1.1
215.03516	1.0
216.04196	0.6
226.02682	1.7
227.03490	4.2
229.01660	0.5
243.03006	12.2
244.03418	0.7
245.04562	1.5
254.02254	2.2
255.03014	29.7
256.03299	1.6
271.02496	59.9
272.02911	5.3
273.03998	1.3
283.02481	0.8
297.52219	0.6
299.01965	2.6
300.02780	100.0
301.03513	46.9
302.03934	2.4
364.59088	0.5
423.79883	0.5
445.07883	2.4
463.08716	2.4
505.09955	45.4
506.10202	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	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.8
64.68679	0.9
71.01388	10.0
72.99333	1.1
73.02940	1.1
75.00851	0.9
83.01395	1.4
83.59515	0.9
85.02964	2.0
87.00891	14.8
89.02446	1.9
99.00930	1.2
101.02447	1.4
107.01411	1.9
109.02980	2.1
113.02467	2.4
115.00386	36.7
116.00721	1.3
121.03010	0.9
125.02461	10.9
135.04523	1.2
139.00423	1.0
144.31557	0.8
151.00365	2.0
156.00679	1.8
161.02455	3.6
169.01459	11.1
173.06033	1.1
174.01729	0.9
175.02499	100.0
176.02808	3.2
177.05530	2.1
191.07198	1.1
193.05086	1.3
240.04163	1.0
245.00778	1.1
254.27669	0.9
255.02956	2.4
270.99072	1.5
271.02557	4.2
273.00330	1.2
286.04755	1.4
297.11401	1.3
298.98154	1.3
299.99136	8.5
300.02789	9.1
300.99860	4.1
301.03525	4.4
301.07034	2.0
315.01529	2.7
327.03583	25.9
328.13165	2.8
343.15503	7.6
407.85733	0.9
410.48749	0.9
436.66678	1.1
447.09302	6.9
472.66202	1.0
505.06180	2.8
505.20609	1.9
505.27747	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	505.0994
Annotation	Quercetin-3-O-glucose-6''-acetate
Peak:m/z	Relative Intensity
56.38169	0.3
59.01368	0.8
65.00333	2.3
71.01405	0.3
71.09528	0.5
95.01363	0.6
108.02187	0.4
109.02947	1.2
110.00153	0.4
111.00889	0.7
123.00919	0.5
125.02422	0.7
133.02956	7.2
133.03912	0.6
134.03702	0.5
135.00934	0.3
135.04514	2.4
136.01649	0.8
136.98802	2.2
137.02458	2.6
139.00381	2.3
159.59694	0.3
161.02499	0.5
163.00356	0.9
163.03879	0.3
164.01228	0.7
164.98317	1.1
165.01929	2.3
165.99062	0.8
166.99831	1.9
169.01405	0.5
172.05377	0.3
172.97672	0.3
175.04002	1.1
183.04575	0.7
185.02446	0.4
185.06041	0.4
187.04012	0.7
190.99861	0.5
192.00638	0.8
199.04047	2.2
201.01941	1.2
201.05586	1.1
202.02585	0.3
203.03506	0.7
211.03987	0.7
213.01958	0.5
213.11346	0.7
214.02542	0.5
215.03416	0.4
216.04366	0.4
227.03537	1.6
228.04198	0.5
229.05087	1.0
239.03508	0.7
243.03047	1.1
245.04822	0.4
255.03024	2.7
256.03497	0.5
257.04675	0.3
271.02374	1.4
272.03146	0.6
273.04062	0.4
283.02548	0.5
284.03217	0.6
299.02063	2.9
299.99814	0.4
300.02759	15.8
301.03549	100.0
302.03894	7.2
302.07065	0.5
338.25040	0.3
445.07782	10.0
446.08069	0.8
463.08740	1.0
475.17801	0.7
505.10052	5.5
505.17838	0.6
516.06500	0.4
530.85132	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	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	1.0
63.02354	0.7
65.00280	0.7
67.29131	0.5
70.44115	1.2
70.44511	1.0
71.01345	0.5
83.01360	0.6
87.50147	0.7
98.21968	0.6
107.01393	2.6
108.02114	1.7
109.02944	1.0
121.02929	1.0
123.00854	0.7
124.04774	0.5
125.02408	1.9
135.00894	0.9
135.04416	0.6
144.81671	0.5
148.01654	1.8
151.00394	8.5
163.00323	1.6
169.01422	1.9
178.99872	4.7
192.37750	0.6
198.03253	0.7
199.03963	0.8
201.01839	0.6
203.03494	0.7
211.03951	1.0
215.03537	0.7
226.02661	1.6
227.03493	3.4
229.05048	0.7
243.03000	11.7
244.03343	1.0
245.04567	1.4
254.02251	2.4
255.03000	27.4
256.03381	2.3
262.10831	0.6
271.02499	61.3
272.02939	4.1
280.28537	0.6
283.02368	0.7
299.01984	1.6
300.02753	100.0
300.99951	2.7
301.03461	31.0
302.03897	1.9
326.79230	0.6
463.08829	8.8
464.09348	0.8
466.57382	0.6
505.10004	54.1
506.10410	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	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89498	0.6
51.13061	0.6
53.97104	0.8
69.03857	7.0
88.13903	0.8
95.31993	0.6
121.02969	100.0
122.03301	2.7
181.06654	2.8
196.05620	0.7
197.06119	2.5
207.04631	1.3
225.05547	2.5
257.09833	0.8
276.90704	0.7
280.47900	0.9
313.07208	5.6
357.06305	1.1
383.07874	1.6
417.09848	9.2
505.11670	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	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42150	0.4
59.01368	1.2
64.92728	0.3
65.00325	0.9
68.99480	3.6
70.16985	0.4
71.98592	0.3
84.61218	0.3
89.02451	0.6
91.01880	0.5
93.03426	0.7
96.61341	0.4
97.02940	0.8
101.02453	0.5
108.02161	0.4
121.02994	0.6
125.02474	2.5
135.00896	0.5
137.02467	0.6
147.00861	0.5
147.04543	0.8
160.05353	0.9
163.00383	0.6
163.04179	0.5
165.01953	3.4
167.03552	0.5
169.01427	3.0
169.02835	0.8
170.01907	0.4
174.03241	0.4
177.01961	0.5
183.02998	0.4
191.85526	0.4
192.06683	0.6
197.02473	0.6
198.03117	0.4
199.03993	0.8
200.01265	0.5
203.78485	0.4
208.35686	0.4
212.04774	0.8
213.01945	1.5
214.02742	0.9
216.00635	0.4
225.01947	1.1
226.02702	0.5
227.03528	2.3
228.04274	1.3
241.01450	6.4
242.02216	3.8
243.02849	0.4
253.01421	1.0
253.08827	0.5
255.02963	3.0
256.03790	35.1
257.04391	3.8
259.06046	0.4
269.00964	6.9
269.03873	0.8
270.01721	6.3
271.02017	0.4
271.06024	0.6
283.02560	1.1
284.03284	29.6
285.04037	21.5
286.04431	1.5
296.03409	0.6
297.00418	0.5
299.05630	50.1
299.99133	11.8
300.06226	7.2
300.99780	3.7
312.02863	2.1
313.03549	9.1
314.04025	0.6
325.11053	0.5
326.04416	0.6
327.05127	42.8
328.05835	14.6
329.06290	1.2
332.00748	0.4
342.07504	1.0
343.08246	100.0
344.08600	7.3
380.78885	0.4
385.09332	0.7
432.07248	0.6
447.09332	2.4
462.11728	1.2
475.08859	0.6
490.11218	16.3
491.11642	1.8
505.06308	5.9
505.13583	10.6
505.20023	0.6
506.07153	0.6
506.14249	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	505.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	85.7
61.98820	0.7
71.01378	1.1
71.27007	1.1
76.13403	0.7
99.68286	0.8
105.03445	1.1
113.02474	0.8
116.16650	0.7
125.02448	2.1
134.67366	0.7
151.04018	2.6
152.73798	0.7
161.02467	15.8
169.01427	2.4
176.04825	10.7
177.05516	0.8
179.03525	24.4
180.03851	0.8
191.05685	0.8
191.07159	4.7
194.05849	30.9
209.08209	100.0
210.08575	4.8
235.15865	0.8
283.15460	1.7
344.11780	0.8
506.12375	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	505.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.1
57.03450	2.4
59.01379	10.9
66.72379	1.7
68.98434	13.1
68.98837	6.0
69.03454	1.8
70.96904	2.2
71.01388	40.4
73.02968	10.6
78.95910	6.2
80.02679	13.7
81.03470	4.7
83.01402	6.9
85.02959	31.4
95.01411	15.0
95.05051	3.3
97.02943	2.8
99.00912	4.8
99.04541	8.1
101.02455	19.2
102.14742	2.1
107.05019	6.7
108.02193	71.3
109.02975	100.0
109.06607	7.8
110.28766	1.8
111.00907	3.6
113.02454	14.0
119.05083	2.8
120.05827	5.3
121.06614	56.2
123.00868	11.3
123.04510	3.7
125.02477	3.6
135.04520	7.8
151.04039	3.9
152.04826	2.7
155.55548	2.3
159.02979	5.0
161.04572	30.7
162.05031	2.0
169.01410	2.7
171.11766	3.2
172.24857	2.1
189.12872	92.9
190.13188	5.0
203.11296	2.2
207.13948	20.7
208.14410	2.1
231.13823	2.4
233.11778	13.7
251.12910	33.2
252.13255	2.5
271.08264	10.5
272.08569	2.5
275.12900	2.7
299.12991	5.4
316.50592	2.2
317.14008	7.7
335.15125	2.1
401.43576	2.1
505.20883	71.2
505.27356	3.5
506.20840	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	505.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46177	1.6
71.25224	3.1
71.66889	1.7
75.60160	2.1
78.95912	37.1
78.96349	2.7
93.38953	1.7
134.83539	1.7
152.99597	20.1
168.04352	3.8
224.06938	8.2
224.08942	1.7
225.07257	2.9
227.03391	3.0
242.08032	2.0
277.21759	97.4
278.22192	6.3
279.23334	44.5
280.23672	100.0
281.23962	3.4
325.05362	1.9
505.24902	18.9
505.32114	18.1
506.26065	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	506.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	1.4
68.99825	17.6
71.27792	1.2
80.02713	0.6
81.03452	0.9
84.79041	0.6
93.03497	0.9
95.01408	1.6
98.22620	0.6
105.44860	0.6
107.01415	1.3
108.02189	57.8
109.03025	8.3
111.00862	2.1
116.95906	0.6
117.03515	1.8
121.02991	2.4
122.03768	5.3
123.00920	10.6
123.04543	43.4
124.01669	2.9
124.04855	1.2
125.02473	1.2
132.02184	7.6
133.03017	3.0
133.05362	2.8
134.03781	6.1
135.00926	1.0
135.04544	30.7
136.01675	3.5
136.27789	0.6
137.02448	1.5
138.03258	12.8
147.04553	8.7
148.01672	4.1
148.05325	71.3
149.02426	1.2
149.06044	3.9
150.02036	1.6
150.03242	23.6
151.03998	1.7
153.05611	3.5
155.30290	0.6
160.01703	2.4
160.03963	0.9
161.02463	8.7
162.01939	1.4
162.03242	19.5
162.05536	0.9
162.06911	2.5
163.00356	0.6
163.04050	10.5
165.05579	2.0
166.02739	0.7
167.03560	3.0
168.03857	0.8
172.05257	0.7
175.04033	2.7
176.03491	6.3
177.02065	1.1
177.04306	2.3
177.05609	25.3
178.02734	56.9
178.05128	43.9
179.03502	10.5
179.05283	1.2
180.04428	0.6
187.04051	1.8
188.04823	4.7
190.05116	17.2
191.05501	0.8
192.06639	1.4
193.05080	90.2
194.05420	5.5
195.06699	0.7
202.05084	0.7
204.06612	0.7
211.13313	0.8
214.59399	0.7
218.04651	3.4
230.04593	2.8
253.08763	2.3
257.08273	1.0
270.11310	0.7
296.09348	1.3
297.10086	17.4
298.08051	1.0
298.10834	1.2
299.09497	1.1
299.12756	3.4
312.12457	100.0
313.03598	0.8
313.10931	9.6
314.11316	1.2
324.12500	1.2
325.10651	1.1
330.03934	0.9
336.12656	1.3
337.09653	1.5
343.12000	1.3
345.06052	3.5
352.11935	28.8
353.12259	1.8
354.13153	0.8
364.11972	16.7
365.12192	1.2
418.16595	0.9
462.19064	1.3
476.17203	43.1
477.17343	4.7
488.17178	19.5
489.17575	2.9
506.18246	54.1
507.11584	1.1
507.18500	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	506.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31227	5.6
72.88345	1.5
76.04483	1.3
88.84719	1.7
91.05530	5.5
93.03449	3.1
105.03463	3.4
107.05035	14.3
109.02940	2.8
117.03464	5.9
119.05019	2.8
133.02971	20.6
133.05287	3.1
134.03754	2.3
134.06119	1.8
135.04536	91.8
136.04932	2.0
136.07683	1.8
137.02380	1.9
145.02969	9.6
146.03703	1.9
147.04515	8.4
148.04150	2.7
148.05312	47.2
149.02464	4.2
151.04005	4.8
153.01857	2.1
160.04071	11.6
161.02455	30.4
162.03021	1.6
164.04793	4.1
175.02724	4.5
176.03506	35.5
176.04832	10.2
177.04047	1.7
178.05116	30.5
179.03511	27.4
179.05276	2.1
179.07133	5.6
180.03821	1.5
190.05084	15.0
191.07132	7.1
192.76599	1.5
194.05856	28.9
202.05095	2.7
209.08195	56.4
210.08565	2.3
253.08739	1.8
294.07755	3.3
296.09296	100.0
296.37979	1.7
297.09946	24.0
298.10858	31.8
299.10956	2.2
312.12390	5.3
476.17166	1.6
479.88177	1.6
498.13602	2.9
506.11185	1.8
509.97754	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	507.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28813	2.4
60.99306	14.6
62.41243	2.3
66.68405	2.5
68.08827	2.2
69.79059	11.6
74.58394	2.6
88.98815	100.0
98.22543	4.0
125.24342	2.4
128.80499	2.5
155.33026	2.4
164.76132	2.3
215.49768	2.7
381.77792	2.6
394.07260	3.3
507.10803	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	507.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40754	1.9
59.01352	7.4
61.06479	2.0
61.98844	14.4
71.01360	4.9
71.26798	4.0
72.19147	2.1
85.02941	3.9
88.98795	3.7
91.13535	2.4
107.01369	4.1
113.02428	3.9
123.00867	4.6
125.02469	15.2
134.03795	3.1
135.04451	3.1
138.42651	2.3
138.98267	2.3
141.18268	2.4
148.05252	4.9
149.02423	3.3
150.03207	3.8
151.03961	6.9
169.01390	13.7
178.05067	3.0
190.02644	2.6
209.11589	2.6
217.01163	2.5
233.99895	2.7
270.51779	2.3
271.02444	3.0
285.97333	9.0
286.98032	7.3
287.01572	5.8
300.99612	10.5
311.98907	3.6
312.12497	13.7
313.97079	29.5
314.97925	60.5
315.01306	10.7
315.04709	2.3
315.97934	6.5
328.99405	42.1
330.00238	74.9
330.03696	13.9
331.00565	2.9
344.01758	17.8
345.02527	96.8
345.06137	18.5
345.22592	2.9
346.02786	5.9
355.06519	4.1
460.17233	3.4
507.07385	100.0
507.28076	17.6
508.07889	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	507.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.8
59.01371	17.2
71.01391	10.5
71.27004	7.3
71.27407	6.5
82.95420	14.6
85.02970	43.9
86.34917	4.9
88.98818	40.0
89.02457	10.0
97.36225	5.6
101.02496	9.4
123.00862	5.3
125.02488	33.2
129.01981	6.6
143.72855	5.2
151.00334	7.8
161.02422	6.2
167.39487	5.9
168.00615	9.7
169.01465	37.2
183.03009	100.0
191.01982	30.5
209.02975	27.9
211.02487	13.0
211.56781	5.8
243.03102	5.4
248.14572	6.0
271.04645	23.2
300.99750	7.0
345.08334	52.5
355.07098	5.5
417.10370	76.6
507.13885	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	507.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	0.4
69.03459	1.8
69.77979	1.0
71.01415	0.2
75.62935	0.2
79.01885	0.2
81.03456	0.7
83.01412	0.2
95.01380	0.4
97.02965	1.3
107.01400	0.5
119.68102	0.2
123.00883	0.4
124.01670	0.8
125.02462	60.2
126.02790	1.6
132.02245	0.2
160.01683	0.6
168.00697	0.5
169.01443	100.0
170.01794	2.7
175.04016	0.4
256.29932	0.2
331.06778	0.4
337.09500	0.3
342.46500	0.2
370.21185	0.2
507.11166	0.8
507.28009	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	507.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82510	0.7
57.03428	1.4
58.76323	0.8
59.01380	2.9
61.98822	3.3
62.74966	0.7
67.01900	0.9
69.03469	1.2
71.01389	4.8
79.01897	1.0
83.01386	1.7
85.00249	0.8
85.02956	1.9
89.02462	1.5
95.01410	2.5
97.02972	1.0
97.20518	0.7
101.02452	2.1
107.01402	9.7
109.02949	1.3
111.00892	1.5
113.02464	1.4
121.03035	1.1
123.00897	9.3
123.04559	0.9
124.01704	2.1
125.02463	59.6
133.02945	1.3
134.02737	1.3
134.03755	23.6
135.04506	2.9
136.01662	2.0
136.98807	1.4
137.02489	5.8
139.00406	3.5
139.04045	1.5
140.01154	2.2
149.02428	1.2
149.06102	9.8
151.00385	8.1
151.04016	4.5
161.02438	2.0
168.00668	4.1
169.01443	70.4
170.01788	1.7
178.02736	15.9
179.03484	2.1
183.03017	2.1
193.01398	1.4
193.05069	23.6
201.37135	0.7
209.54028	0.7
211.02483	1.9
241.03551	1.5
287.05765	0.8
313.05673	30.0
314.05936	1.2
327.07059	0.9
327.12369	2.1
345.06537	0.9
355.10468	1.7
357.13895	1.0
457.29047	0.8
463.12527	13.2
464.13028	1.5
489.10437	2.8
507.11517	100.0
508.11908	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	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26172	1.1
53.89648	1.2
57.89833	1.0
59.01387	3.0
69.03454	1.4
69.17270	9.8
69.18701	1.4
71.01385	5.3
85.02955	2.7
95.01373	1.6
97.02961	1.7
101.02398	2.0
107.01398	8.8
111.00882	2.0
113.02493	1.4
118.32761	1.1
123.00925	6.6
125.02456	59.6
128.80664	1.2
134.03757	25.8
135.04541	3.3
137.02461	6.5
139.00386	3.4
139.03998	2.5
140.01181	2.9
149.02431	1.6
149.06082	9.0
151.00365	6.2
161.02591	1.2
168.00688	3.0
169.01442	75.2
170.01752	2.0
178.02751	17.0
179.03369	4.1
184.91925	1.3
193.05078	23.1
206.17540	1.1
211.02440	1.9
241.03313	1.6
257.11920	1.7
268.88660	1.3
285.03876	2.0
300.99979	1.9
313.05676	53.2
314.06091	4.1
327.07071	1.6
408.86148	1.3
438.60004	1.5
463.12823	3.3
507.11496	100.0
508.11673	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	507.1146
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
51.69870	0.5
69.62924	3.1
73.39223	0.5
84.05775	0.6
84.35780	0.6
93.03467	0.6
124.04926	0.5
125.02399	1.3
137.02397	0.8
143.36578	0.7
150.03136	0.7
151.00320	2.4
178.99686	0.8
187.03958	0.7
192.00456	0.7
199.03996	1.2
201.01805	0.7
203.03557	3.7
214.02647	0.6
215.03419	2.5
230.02191	2.2
231.02945	2.3
242.02168	1.6
243.03040	5.8
258.01648	2.2
259.02463	8.2
260.02661	0.7
269.00897	0.8
270.01651	2.3
271.02478	11.7
274.01221	1.0
285.04025	1.5
286.01181	3.2
287.01956	21.1
288.02383	1.2
298.01172	2.0
299.01999	1.5
301.03680	3.2
312.12448	0.7
313.03232	2.9
313.97220	0.9
314.98163	2.0
315.01477	49.2
316.01846	3.6
328.99493	1.0
329.03015	16.7
330.03824	85.1
331.04129	6.6
345.06171	100.0
346.06519	7.1
492.09210	4.3
507.11615	41.2
508.11868	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	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01361	1.1
69.03439	1.1
69.22359	1.9
69.22777	2.9
71.01375	1.0
75.00863	0.8
81.03428	0.9
85.33409	0.6
95.01391	1.3
97.02951	1.5
104.29293	0.6
107.01387	1.6
109.02939	0.8
123.00906	1.5
123.04452	0.8
124.01688	4.6
125.02463	69.0
126.02788	1.7
134.03773	5.8
137.02487	0.9
139.36765	0.7
149.06062	0.8
151.03958	0.8
160.01614	1.3
161.02412	1.2
168.00676	7.3
169.01443	100.0
170.01785	2.9
175.04041	1.5
183.03050	1.0
193.05055	4.3
211.02574	1.2
245.95886	0.7
289.07394	0.9
299.99249	2.0
300.99658	2.0
301.99866	2.8
303.00632	0.7
310.31641	0.6
313.05780	2.4
331.06744	39.4
332.07144	2.5
345.56985	0.6
451.69644	0.7
507.11795	28.2
508.12177	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	507.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.7
61.98832	5.4
69.14687	2.2
69.15095	9.1
71.01383	1.2
75.86050	1.2
80.91698	1.6
93.17206	1.0
97.89766	1.0
101.29545	1.1
107.01402	2.7
109.02978	1.1
123.00886	1.8
123.04459	1.2
125.02462	11.0
131.70073	1.2
131.85777	1.3
133.22087	1.2
133.23276	1.1
134.03676	1.9
135.04530	1.6
137.02449	1.3
151.00369	3.7
153.01964	2.3
157.21805	1.1
159.04538	1.3
161.02480	1.7
169.01483	8.7
174.03313	1.2
175.04024	2.5
187.04077	1.2
190.99722	1.1
193.05070	3.5
202.02690	3.4
203.03651	1.2
214.02570	1.4
215.03516	1.8
230.02191	12.7
241.01379	1.8
242.02234	6.1
243.03062	3.3
258.01691	20.7
259.02444	7.9
269.00970	3.4
270.01636	3.9
271.02475	2.4
273.04141	6.1
281.27078	1.4
284.03180	1.4
286.01208	38.2
287.01999	11.9
300.02972	1.3
301.03552	30.9
302.03854	2.4
313.05591	2.0
314.00629	8.2
315.01566	11.6
316.02051	1.3
323.11191	2.3
329.03058	100.0
330.03778	28.2
331.04077	1.8
344.05475	9.2
344.11996	1.9
345.06174	90.8
346.06442	5.7
387.07440	1.9
477.06726	2.6
492.09149	21.5
493.09229	2.3
507.11475	83.7
508.11771	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	507.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58202	2.0
59.01386	2.8
69.33424	7.2
69.33846	6.4
72.49020	1.9
85.02956	2.6
85.06602	12.9
87.00884	46.1
87.04504	3.4
97.33890	2.0
113.06091	6.5
125.02464	4.9
163.98061	1.9
169.01428	6.9
175.06133	100.0
176.06601	2.2
183.03015	6.6
232.47179	2.2
277.96335	2.0
345.08167	3.6
508.08337	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	507.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14850	1.5
52.72388	1.6
57.03464	4.5
59.01379	5.3
61.98853	3.7
63.95766	1.8
65.67982	1.7
69.38363	5.4
69.38779	4.7
71.01392	13.7
73.02942	2.7
81.03461	2.4
83.01399	2.9
85.02981	4.0
87.00912	2.2
89.02457	2.4
91.01911	2.9
95.01402	2.7
101.02472	6.0
106.65553	1.6
107.01410	15.7
108.02190	17.5
109.03001	4.2
111.00909	3.3
113.02464	5.6
122.03799	4.6
123.00887	10.1
123.04547	24.0
124.01665	2.0
125.02462	70.7
133.03015	2.4
134.03751	3.1
135.04547	3.1
136.01678	2.1
137.02518	1.8
139.00403	2.8
140.01202	2.7
150.03242	77.9
151.00391	14.4
151.03944	4.1
152.01170	22.0
153.01941	5.5
157.55235	2.0
160.01665	3.4
161.02472	11.3
162.03233	68.7
163.03798	3.5
165.01912	1.7
165.05586	61.4
166.02698	1.9
167.03505	58.7
168.00682	6.0
169.01439	66.2
175.04056	5.8
177.05586	100.0
177.49420	1.7
178.06015	2.5
179.03619	3.0
180.04260	10.9
193.05045	4.2
195.06647	25.9
196.06952	1.8
211.02576	10.2
211.49931	1.8
221.04750	1.9
271.04608	20.3
296.05411	6.0
311.07761	89.0
312.08081	5.9
313.05737	28.2
313.97171	1.7
315.04462	2.3
331.06781	5.8
343.08551	1.9
344.08786	2.3
345.08810	4.7
477.14081	12.5
489.14063	82.7
490.14401	9.4
507.11435	30.7
508.11725	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	507.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	38.0
70.46172	30.9
75.14963	39.4
85.02947	43.6
97.13975	31.6
115.04347	29.8
129.08043	30.4
191.01894	30.1
228.95970	43.2
239.18707	28.2
306.07770	32.1
323.13519	100.0
344.42737	37.3
509.75082	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01392	0.8
60.99316	1.2
61.98545	0.6
61.98845	2.7
71.01385	1.1
73.78466	0.6
82.67728	0.7
83.01392	0.8
88.98817	7.6
89.02436	0.9
90.99895	0.7
107.05051	1.4
121.29465	0.6
125.02450	14.6
133.03041	0.6
134.03777	3.6
135.04535	94.4
136.04881	3.3
136.10687	0.6
137.02472	0.8
146.75125	0.6
150.03305	0.7
161.02477	5.1
177.05652	0.9
179.03506	100.0
180.03886	3.7
227.12874	0.6
287.05563	2.0
305.06760	0.7
507.18716	11.6
508.18900	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	507.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
69.20779	3.1
79.25520	0.4
85.02943	0.5
87.76625	0.4
107.05060	0.7
117.90898	0.4
134.03767	2.9
135.04538	89.4
136.04860	2.9
148.05318	1.0
149.02507	0.4
150.03253	1.3
151.89439	0.4
161.02492	0.9
165.05627	1.5
178.05052	0.5
179.03517	100.0
180.03848	3.4
195.06583	0.9
247.36165	0.5
279.65353	0.4
312.12372	2.2
507.28046	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	507.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16710	0.7
53.02148	0.8
58.51950	0.7
59.01385	11.1
61.98796	1.0
68.99291	0.8
68.99636	8.3
71.01397	5.4
72.99287	1.0
85.02947	1.4
85.24570	0.7
89.02442	7.3
97.37521	0.7
98.21704	1.3
101.02421	3.3
103.64603	0.8
104.87867	0.9
113.02421	2.9
114.56026	0.8
119.03488	3.0
131.05028	5.2
135.04460	2.5
136.04805	1.0
145.02916	2.0
147.04428	0.9
170.76563	0.7
172.52507	0.7
179.03502	1.5
179.05502	2.0
194.05910	1.7
200.46643	0.7
209.08171	1.9
213.16557	1.5
241.16029	4.0
256.03644	1.3
285.04092	1.7
285.11877	1.0
285.14932	13.6
286.15314	1.2
296.09256	2.0
297.09665	2.5
298.10303	0.8
301.18094	10.2
302.18442	1.5
327.05179	2.9
327.16010	8.1
328.05701	1.1
345.17099	100.0
346.17441	7.3
359.18661	3.1
387.18161	11.4
464.43231	0.8
489.17285	0.9
507.22458	50.7
508.22754	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99486	0.3
53.48783	0.4
55.01862	0.4
57.03445	0.8
58.00598	0.8
59.01385	21.4
69.36267	2.7
71.01387	19.8
71.01971	0.5
72.99321	1.9
73.02954	7.2
75.00899	0.4
83.01402	1.3
85.02966	3.5
87.00874	0.9
89.02453	18.8
90.84039	0.4
95.01410	0.7
97.02957	0.7
99.00891	15.0
101.02448	10.2
113.02444	3.7
119.03493	1.7
125.02505	1.9
131.03513	2.7
135.04501	0.9
145.10616	0.4
149.04555	1.2
161.04608	0.7
166.65752	0.4
169.01396	0.8
179.03462	0.6
183.13913	0.7
191.05629	3.8
195.13904	4.7
213.15030	3.2
219.32495	0.4
223.08681	0.4
266.07086	0.4
301.03577	1.1
302.03778	1.2
303.04099	1.1
326.26028	0.4
375.20285	6.1
376.20551	0.5
447.22455	1.4
448.22720	0.5
489.22900	0.5
507.24487	100.0
508.24826	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10616	0.3
59.01373	0.6
61.98813	0.9
70.90293	1.1
78.95912	9.5
85.19376	0.4
96.96972	0.9
152.99600	14.0
171.00661	1.5
177.28421	0.3
227.03293	2.0
245.04321	1.4
261.22229	0.5
273.58630	0.3
279.23303	100.0
280.23691	6.3
282.25131	0.4
308.92792	0.4
318.31586	0.5
377.83398	0.4
380.66339	0.4
507.27274	20.6
508.27499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2968
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
50.02740	0.5
53.57220	0.4
57.03451	6.4
59.01372	0.7
62.58663	0.4
63.50549	0.5
65.00324	0.4
65.03955	0.7
67.01907	3.1
68.41712	0.5
68.99796	0.9
69.03098	0.8
69.03458	13.2
69.80635	1.6
71.01387	44.2
72.01707	0.7
79.05530	0.7
81.03457	1.4
83.01371	1.6
83.05031	4.0
85.02943	0.7
93.03442	1.1
95.01384	0.9
95.05027	5.3
97.02957	9.3
97.06593	1.6
101.82467	0.4
104.84033	0.4
107.05045	6.5
109.02956	1.9
109.06595	1.2
111.04512	1.3
113.09718	0.7
121.02922	0.6
123.08170	0.8
125.02454	8.6
126.02764	0.6
127.93095	0.4
133.06616	0.6
135.11790	0.4
141.09207	0.6
147.11819	0.6
151.03992	1.2
152.04094	0.5
163.14929	0.9
164.04787	1.5
169.01447	0.5
176.08336	0.4
179.07133	1.5
181.28645	0.4
181.30090	0.5
202.46440	0.5
233.15500	0.8
265.21710	2.0
289.21649	1.4
291.23175	0.7
305.24777	1.9
307.22781	1.5
311.22382	0.6
315.23505	1.1
329.24658	1.0
331.22635	1.4
331.26221	0.6
333.24338	1.3
335.22488	0.5
337.23221	0.5
341.24826	0.7
347.25949	5.6
349.23914	4.3
357.24551	1.1
359.25723	0.7
361.23727	0.6
365.26883	0.6
373.27478	2.5
375.25418	4.3
383.25867	1.0
391.24777	8.0
391.28836	0.7
392.25143	0.7
401.27026	3.3
402.26849	0.6
417.26437	0.8
419.28009	1.5
427.28540	1.3
445.30170	1.0
463.26901	0.8
471.27560	2.1
489.28595	11.4
490.29086	1.6
507.29639	100.0
508.30011	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	508.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22752	1.0
69.25456	6.0
93.03470	2.1
119.05030	1.1
121.02956	2.8
122.03751	6.4
124.01666	1.0
133.02965	1.7
134.03760	3.5
135.04541	16.6
147.04555	2.6
148.05318	44.3
149.02435	11.9
149.05988	2.2
150.03239	51.1
151.03624	1.4
164.04816	2.7
164.59152	0.8
165.05586	49.0
166.05914	2.2
175.04097	1.0
176.03535	3.5
177.04280	1.9
178.03517	1.3
178.05115	26.6
179.03568	1.1
180.04312	4.1
190.05103	10.7
195.06627	27.6
202.49011	0.8
214.79437	0.8
253.08655	1.4
297.10092	9.5
298.10608	1.1
310.11035	1.3
311.11679	1.5
312.12442	100.0
313.12851	7.3
332.36987	0.8
337.63303	1.0
460.17621	8.6
461.18005	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	508.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33030	0.4
56.48299	0.4
57.96405	0.4
64.29105	0.4
65.51255	0.4
68.98873	1.4
68.99294	2.5
84.19204	0.4
93.03474	2.0
95.05029	0.6
108.02184	0.5
109.02939	0.8
115.36713	0.4
119.05003	1.0
121.02972	4.5
122.03750	5.1
123.04552	0.6
124.01637	1.0
132.02226	0.5
133.02953	2.8
133.05348	1.2
134.03767	5.7
135.04546	13.9
136.07686	0.4
137.02452	0.7
147.04570	2.5
148.05322	39.6
149.02467	12.2
149.06122	3.7
150.03238	30.6
151.03810	1.2
160.04070	0.5
161.02464	0.9
162.03194	0.7
164.04805	1.6
165.05585	29.1
166.05855	0.9
167.03468	0.5
175.04073	0.5
176.03529	3.9
177.04306	1.3
178.05118	24.5
179.05528	0.6
180.04311	2.0
189.04276	0.5
190.05101	9.9
195.06638	13.8
241.48996	0.5
251.07182	0.5
253.08685	1.1
270.11441	0.4
281.06848	0.5
296.09543	0.6
297.10092	8.5
298.10703	1.1
310.10956	2.6
311.11575	2.3
312.12445	100.0
313.12784	8.2
328.65405	0.4
346.06476	0.5
366.13513	0.6
402.13504	0.9
413.12878	0.6
416.14957	1.1
417.15933	0.6
428.14969	0.7
445.15469	0.5
460.17688	26.6
461.18015	3.4
508.19949	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	508.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29942	1.3
69.11867	13.0
78.95917	13.9
79.64880	1.5
123.00972	1.6
125.02409	1.6
125.09866	1.6
137.05991	1.5
139.11313	1.9
140.01204	5.6
152.99625	2.1
163.11325	4.2
167.10799	2.8
168.11571	3.0
196.03770	3.0
210.94786	1.4
211.13338	1.7
214.04865	8.4
249.22238	6.1
293.21246	78.9
294.21552	6.1
311.22311	100.0
312.22668	6.5
435.35913	1.6
508.26840	44.0
509.20590	2.4
509.27136	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	508.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
63.33061	0.9
69.26266	0.9
70.15673	0.9
71.26328	1.7
71.31715	0.9
78.95905	12.7
85.68626	1.1
92.09322	0.9
98.22211	1.2
98.46387	0.9
140.01215	4.3
146.11464	1.0
152.99669	1.4
165.12901	1.0
167.14453	3.8
169.12735	1.0
183.13893	2.1
195.13933	11.9
196.03836	3.1
213.14940	1.1
214.04878	4.8
239.55901	1.0
272.46301	1.4
293.21231	15.0
311.22296	100.0
312.22662	8.6
329.17621	1.3
488.44818	1.1
508.26776	32.5
508.33856	2.1
509.27283	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	509.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97785	0.8
55.01875	0.8
57.03214	1.1
57.03452	9.7
58.34042	0.8
59.01389	10.3
59.37912	0.8
61.98823	4.0
65.00310	1.1
67.01878	1.6
70.86897	2.3
71.01389	7.3
72.26557	0.8
72.99290	1.0
74.70393	0.8
81.03446	1.8
83.01399	9.4
85.02965	2.2
87.00885	0.9
89.02476	4.4
97.02965	1.6
101.02450	2.6
107.01404	5.6
108.02235	1.1
109.02963	5.2
113.02470	3.1
119.03492	1.5
121.02938	1.2
123.00905	3.8
123.04510	3.2
124.01710	1.4
125.02464	100.0
126.02797	4.0
135.04533	1.3
137.02432	2.6
139.00409	1.1
139.04041	2.8
147.00873	3.2
149.02478	7.5
151.00383	12.3
151.04025	2.2
152.01128	1.2
153.01965	40.4
160.01659	1.4
161.02463	1.4
162.03214	2.5
165.01952	1.5
165.05576	1.0
167.03510	7.0
168.00661	2.0
169.01451	28.4
170.01788	1.8
177.02072	1.9
178.99809	1.1
180.04263	1.0
195.06628	3.6
240.04152	1.0
256.03757	1.2
268.03537	1.6
269.06650	2.0
283.06140	7.3
284.06326	1.0
289.07095	1.9
297.06393	3.1
299.05658	2.5
311.07773	6.2
313.05634	4.2
314.07971	2.3
329.10342	25.5
330.10770	2.0
331.06900	0.8
347.07687	3.6
437.11047	4.9
437.97122	0.9
465.10715	0.9
491.11990	2.0
509.13040	28.8
510.13022	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	509.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01374	1.6
69.03452	1.4
69.45771	5.4
71.01384	6.9
73.02975	1.1
77.22319	0.9
95.01412	2.1
97.02944	1.2
98.22539	1.8
101.02431	1.9
107.01421	12.5
108.02191	20.2
111.00926	2.2
113.02466	1.4
123.00900	12.7
123.04530	20.6
124.01683	1.5
125.02464	78.4
126.02791	2.6
136.01685	34.0
136.98816	1.5
137.02492	6.7
139.00453	4.4
140.01128	3.6
146.56473	0.9
151.00385	8.8
151.02876	1.5
151.04027	19.6
157.64465	0.9
165.02013	1.3
167.03494	0.9
168.00681	3.5
169.01447	100.0
170.01796	2.6
175.03961	0.9
187.87103	0.9
193.01262	1.2
195.02998	2.3
197.72061	0.9
211.02429	2.8
222.37219	0.8
241.03571	3.1
313.05701	77.5
314.06149	4.8
327.07455	0.9
413.87964	1.1
423.79892	1.0
437.10855	1.7
450.85312	1.0
465.10480	31.1
466.10623	2.7
491.12036	2.2
509.09387	69.5
510.09787	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	509.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01381	0.8
60.06716	0.7
61.98827	1.0
69.03452	2.5
69.70881	4.1
71.01364	1.3
71.38048	0.8
83.65203	1.1
89.02396	0.8
95.01389	1.1
97.02969	2.2
115.87909	0.7
123.00858	1.2
124.01679	2.8
125.02460	62.0
126.02820	1.8
128.79803	0.8
134.03731	2.7
135.04552	1.2
136.04822	1.0
137.02460	3.1
139.04062	1.1
148.05334	2.2
149.02419	1.0
149.05762	0.8
150.03214	2.2
151.00314	0.9
151.03807	0.9
161.02455	1.9
165.05577	1.5
169.01447	100.0
170.01775	2.4
178.02722	1.0
178.05141	1.0
193.05090	2.0
195.06598	1.7
225.11372	1.1
227.07108	2.2
281.06689	2.5
302.97983	0.8
312.12488	4.6
313.12784	6.1
388.10190	0.9
461.18027	2.6
466.07697	0.9
509.13672	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	509.13
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
53.85604	0.3
67.42131	0.3
68.40682	0.2
69.03461	2.0
69.16326	1.8
69.16737	0.7
79.01901	0.6
81.03461	0.8
97.02969	1.3
107.01447	0.3
109.03065	0.3
123.00909	0.4
124.01653	0.9
125.02461	54.9
126.02773	1.1
151.07634	0.3
168.00676	0.7
169.01443	100.0
170.01796	2.5
184.42065	0.3
217.48076	0.3
313.05856	0.4
347.11343	0.7
359.88177	0.3
509.13141	2.1
509.29361	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	509.1303
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
56.88292	0.8
59.01385	1.0
60.39961	0.8
61.98511	1.6
61.98834	27.2
65.00329	1.0
69.09644	0.8
69.37938	2.3
69.38348	4.1
71.01398	2.5
81.03453	4.6
81.48965	0.9
83.01401	2.0
85.06570	1.3
87.04509	1.1
95.01415	0.9
98.22552	0.9
107.01398	5.5
109.06607	2.4
111.04551	4.3
115.34345	1.0
123.00898	4.6
124.01711	1.0
125.02461	45.7
127.07672	1.2
139.00386	2.7
151.00421	5.0
151.07661	37.9
152.07964	1.0
168.00636	1.9
169.01437	42.3
170.01849	1.0
177.05580	1.6
195.06639	73.5
196.06995	3.1
211.02475	5.0
219.06676	6.7
227.49266	0.9
237.07703	2.5
254.43715	0.9
271.04623	4.8
313.05682	18.9
439.08652	1.2
505.11975	1.0
509.13019	100.0
510.13422	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	509.1305
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
56.86956	0.7
59.01374	1.5
62.32752	0.6
64.29506	0.7
65.75970	0.6
67.01913	0.8
68.37373	0.6
69.03446	1.2
70.82423	1.5
71.01385	5.5
72.99320	0.7
73.02966	0.8
79.01894	1.2
81.03487	0.6
83.01398	1.1
85.02949	1.7
95.01405	2.0
97.02990	1.8
101.02444	1.6
107.01399	12.5
109.02991	1.0
111.00888	1.6
111.40075	0.6
113.02473	2.5
122.03756	1.6
123.00907	9.8
123.04527	1.3
124.01703	1.3
125.02465	75.9
126.02815	2.1
131.94769	0.6
136.98827	0.8
139.00407	3.8
139.03992	0.7
140.01166	1.9
141.01927	0.9
144.73552	0.6
147.79903	0.8
150.03247	38.3
151.00385	9.7
151.03984	2.5
157.12103	0.6
162.03267	10.0
163.04019	2.0
165.05594	24.6
166.06026	1.2
168.00726	3.5
169.01451	100.0
170.01753	2.8
177.05588	7.4
180.04326	6.0
181.04994	0.9
183.03020	1.1
195.06642	11.1
211.02541	2.4
215.38972	0.7
241.03549	2.6
253.03476	0.9
313.05695	68.0
314.06070	4.0
317.10117	0.9
327.07651	1.3
347.11432	1.5
479.11948	6.2
491.12012	80.5
492.12354	8.9
509.13019	38.6
509.20819	1.0
510.13354	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	509.1326
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.23656	1.1
57.03434	4.9
59.01387	7.3
60.09348	1.1
61.98817	1.6
68.99799	1.4
69.03459	1.5
70.98251	2.0
71.01371	5.2
73.02937	1.2
73.86943	1.2
79.01902	2.3
81.03467	1.8
83.01389	4.6
85.02934	1.6
87.00427	1.0
88.99150	1.0
89.02421	1.2
95.01398	1.6
97.02959	2.4
101.02470	2.2
105.13954	1.0
107.01395	11.4
108.02226	1.3
109.02943	3.2
111.00896	2.6
113.02474	1.8
123.00887	10.2
123.04508	3.3
124.01682	4.2
125.02460	100.0
126.02783	5.4
130.46214	1.0
135.04576	1.7
136.98820	2.8
137.02490	2.5
137.16338	1.1
139.00365	5.0
139.04034	2.1
140.01141	4.4
141.01973	1.8
149.02419	3.6
149.64255	1.2
151.00397	9.1
151.03984	5.2
153.01955	13.8
161.02464	3.3
162.03200	3.3
163.04039	2.2
165.01967	1.5
167.03545	4.4
168.00652	11.9
169.01442	69.8
170.01744	3.2
171.02002	1.3
175.04015	1.6
177.05559	1.2
183.03059	2.5
183.35628	1.0
193.05042	2.3
195.06644	10.9
211.02504	35.9
271.04611	73.4
272.04984	3.7
275.02042	6.1
283.06079	1.3
289.07123	2.2
301.00049	1.3
311.07718	1.4
313.05737	14.3
315.06308	1.4
329.10339	3.1
331.06699	8.2
491.11917	5.8
509.12946	87.3
510.13297	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	509.1303
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03464	0.6
59.01386	5.7
70.30800	2.0
71.01390	4.7
86.89614	0.8
89.02458	4.7
105.51088	0.8
107.01397	4.8
109.02964	3.6
123.00913	3.2
123.04500	1.0
125.02464	23.8
126.02819	1.8
137.02461	1.6
139.00305	1.1
140.01202	1.2
145.03012	0.7
149.04597	0.8
150.03270	1.0
151.00392	2.1
151.03969	1.6
152.04739	1.9
162.03221	5.5
165.05565	1.0
166.06342	1.4
167.03542	0.7
169.01448	27.5
170.01775	1.9
177.05582	5.4
179.03564	1.5
180.04303	100.0
181.04808	5.6
181.08710	0.8
195.06644	94.6
196.06946	3.0
211.02565	1.0
284.03189	1.2
285.04153	1.0
312.12445	1.3
313.05698	22.4
314.06036	2.1
327.07404	1.0
343.10437	1.3
357.11963	39.1
358.12256	2.5
447.09598	1.2
509.13013	38.7
510.13309	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	509.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.9
59.97773	0.2
61.98830	0.9
69.95325	1.0
79.95744	2.2
96.96021	100.0
98.22540	0.3
105.14490	0.3
125.02459	1.7
151.04060	0.6
167.97308	0.2
169.01511	1.3
188.52292	0.2
222.57614	0.2
223.13420	0.7
227.03467	0.6
241.00322	0.4
255.03011	0.6
258.89246	0.3
259.01297	1.3
267.12335	1.6
284.03308	0.7
285.03708	0.3
309.72867	0.3
347.08133	1.6
373.09094	0.3
388.05170	0.2
418.54428	0.3
429.17700	0.8
447.09509	0.9
509.13373	10.9
510.13641	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	509.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25970	0.2
57.03428	0.5
58.95930	0.2
59.01374	0.6
68.96651	1.9
71.01370	0.4
72.99300	0.2
79.95747	2.1
81.75636	0.2
88.12664	0.2
89.02422	0.2
96.96021	100.0
97.95947	0.2
107.01404	0.6
109.02940	0.5
121.03011	0.2
123.00858	0.2
123.04528	0.7
125.02466	5.2
126.02782	1.0
128.03564	0.3
134.03760	0.3
137.02469	0.5
143.04604	0.3
151.04045	1.0
152.04379	0.2
152.51118	0.1
156.28143	0.1
159.04472	0.2
161.02463	0.5
162.02652	0.2
163.00452	0.2
169.01440	2.9
170.01819	0.6
171.01840	0.2
173.67310	0.2
175.04086	0.3
177.01918	0.2
193.01340	0.3
199.03989	0.3
217.05005	0.3
227.03519	0.2
229.04999	0.2
237.09613	0.2
243.03030	1.0
244.03362	0.4
255.02756	0.2
259.01376	0.4
267.12286	0.5
272.08875	0.2
289.03848	0.2
289.07281	0.4
299.99152	2.1
301.00040	0.3
303.05127	0.3
304.05389	0.2
306.07697	0.5
314.06009	0.2
315.05869	0.2
347.08224	1.3
348.08496	0.2
359.00476	0.4
405.06000	0.2
429.18005	0.3
447.07401	0.2
463.21753	0.3
509.13306	12.0
510.13815	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	509.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93042	0.3
53.46176	0.3
57.03455	0.8
59.01363	0.4
69.03455	0.4
71.01425	0.4
71.26516	0.5
79.27799	0.3
81.03451	0.6
82.77306	0.3
91.01904	0.4
96.96021	12.3
99.24036	0.3
107.01403	0.5
108.02200	2.2
109.02964	100.0
110.03313	2.3
123.00927	0.4
123.04539	0.6
125.02457	8.4
126.02823	1.3
128.03583	0.7
136.01675	0.6
137.02458	29.5
138.02789	0.5
143.04613	0.9
151.04010	1.3
155.10788	0.4
161.02492	1.0
169.01437	3.7
181.01474	1.0
203.10768	0.9
217.10840	0.5
237.09474	0.5
253.07318	0.6
269.87372	0.4
272.08911	0.7
306.07697	1.3
372.61859	0.4
437.18179	3.2
438.18002	0.4
442.99454	0.3
465.17740	0.6
484.06754	0.4
509.16537	3.9
509.22739	0.8
527.11749	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	509.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93042	0.3
53.46176	0.3
57.03455	0.8
59.01363	0.4
69.03455	0.4
71.01425	0.4
71.26516	0.5
79.27799	0.3
81.03451	0.6
82.77306	0.3
91.01904	0.4
96.96021	12.3
99.24036	0.3
107.01403	0.5
108.02200	2.2
109.02964	100.0
110.03313	2.3
123.00927	0.4
123.04539	0.6
125.02457	8.4
126.02823	1.3
128.03583	0.7
136.01675	0.6
137.02458	29.5
138.02789	0.5
143.04613	0.9
151.04010	1.3
155.10788	0.4
161.02492	1.0
169.01437	3.7
181.01474	1.0
203.10768	0.9
217.10840	0.5
237.09474	0.5
253.07318	0.6
269.87372	0.4
272.08911	0.7
306.07697	1.3
372.61859	0.4
437.18179	3.2
438.18002	0.4
442.99454	0.3
465.17740	0.6
484.06754	0.4
509.16537	3.9
509.22739	0.8
527.11749	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	509.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
57.03451	1.9
57.05128	0.8
59.01388	5.9
67.01894	1.0
69.03461	2.3
69.47672	3.7
71.01386	16.3
72.99313	0.9
73.02954	17.7
79.05542	0.9
80.02677	2.2
81.03465	2.0
83.01378	5.2
83.05032	3.8
85.02966	11.2
87.04520	6.7
89.02423	1.3
93.03461	1.6
95.01374	4.2
95.05035	19.1
97.02956	3.9
98.21778	1.9
99.00880	2.8
99.04522	1.2
101.02452	9.1
107.05039	6.2
107.08667	3.3
108.02147	1.3
109.06606	11.5
111.04530	1.7
113.02452	7.1
113.06110	1.4
114.05383	0.9
120.05791	2.8
121.02953	1.9
121.06602	7.7
122.03749	10.0
123.00896	57.7
123.04538	5.4
123.08247	1.2
124.01678	100.0
125.02479	23.4
125.06075	1.2
133.06587	1.6
135.08192	2.6
137.02481	2.2
137.06053	4.8
138.03236	27.4
139.00369	1.4
139.04031	64.9
140.04353	1.9
143.03456	1.3
145.10228	2.3
147.08176	1.0
149.02473	1.5
151.04036	1.8
151.07623	1.0
158.00800	0.9
159.02956	1.4
161.04579	13.7
161.09732	4.0
163.11301	57.3
164.11613	3.4
169.01422	4.6
175.07643	1.4
178.02670	1.1
181.05060	3.8
181.12347	17.7
183.10208	3.7
185.13426	0.9
187.11319	1.2
189.09091	1.1
193.05048	2.3
201.12791	1.1
203.10791	1.1
203.14433	1.4
205.12312	1.7
207.10287	38.9
208.10527	1.3
219.13931	1.6
223.13374	1.2
225.11336	56.6
226.11652	2.6
231.10297	7.1
239.12981	1.1
247.13388	1.6
249.11369	5.1
252.25082	1.1
263.12885	5.6
267.12381	5.6
287.07773	1.6
291.12402	16.8
301.09311	36.9
302.09702	1.3
309.13470	5.7
369.15576	3.4
509.20300	76.3
510.20569	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	509.2396
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.01880	0.7
58.00595	1.0
59.01383	27.1
61.98558	0.7
61.98833	7.8
68.08449	0.5
69.01670	1.0
69.02071	4.5
71.01388	17.6
71.04997	0.5
72.99299	1.7
73.02988	0.6
79.86951	0.5
83.01402	0.6
85.02961	3.0
87.00864	0.8
89.02455	22.3
92.13986	0.5
95.01394	1.2
98.21841	1.4
98.22487	1.0
101.02457	10.2
104.16379	0.6
113.02472	8.0
119.03525	10.0
121.06603	1.9
122.12949	0.6
125.02449	1.3
131.03458	1.0
143.03485	2.1
149.04588	0.9
158.06134	0.7
160.70729	0.5
161.04543	2.6
169.01424	0.9
179.05640	10.7
189.12883	5.8
190.16467	0.6
233.11823	2.1
257.10870	1.3
271.04660	0.8
285.18610	0.9
298.98334	0.8
303.19647	5.3
304.20020	0.8
329.17584	15.3
330.17929	1.6
347.18658	100.0
348.18958	6.9
349.25320	0.5
361.20285	0.9
389.19714	8.7
390.19855	0.7
449.21695	0.8
509.23950	62.6
510.24258	6.3
521.67450	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	509.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
64.37227	1.0
65.00326	1.1
65.03963	4.6
67.01894	12.0
69.03452	3.4
71.01390	7.5
78.95915	2.0
79.05522	2.8
83.05043	1.4
95.05026	1.2
107.05040	43.9
109.02950	7.1
120.72176	1.0
121.02968	1.3
131.80260	1.0
133.06589	2.4
135.04553	2.2
151.04024	3.8
157.82895	1.1
169.01454	1.2
218.54727	1.0
265.21768	1.9
285.24460	2.8
295.13885	1.3
311.26041	2.6
313.23843	3.7
339.25531	1.8
509.31271	100.0
510.31693	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	509.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
58.70586	0.6
59.01370	2.1
61.98820	0.8
63.02391	0.7
65.00330	2.1
65.03970	1.1
67.01872	2.4
68.99802	1.8
69.03460	14.8
70.04144	1.7
71.01393	13.1
78.95923	1.3
81.03464	32.1
81.06045	0.6
82.03793	1.0
83.01398	5.7
83.05041	5.8
85.02967	0.7
85.06589	3.0
93.03454	0.7
95.05046	4.9
97.06608	4.5
101.32198	0.8
107.05047	6.4
109.02958	2.0
111.04530	2.5
111.08167	1.6
119.89344	0.7
125.02459	30.8
125.06073	2.9
126.02726	0.7
135.04506	1.6
136.05281	1.5
139.11287	1.7
141.12845	1.4
151.04030	6.4
165.09190	1.0
167.10861	0.8
169.01451	0.9
169.12350	1.3
183.13994	0.7
184.54114	0.7
185.15469	1.8
197.04556	4.1
199.03912	0.6
209.11998	0.8
251.20210	3.0
269.21094	1.0
271.02579	0.7
285.24335	0.8
286.84174	0.6
293.24887	2.7
299.02048	2.9
300.02783	1.5
301.03577	1.0
309.24457	1.3
311.25970	22.3
312.26266	2.7
313.23782	1.2
321.24396	1.7
337.27493	1.8
339.25320	6.4
363.29330	0.7
365.27051	2.3
447.09564	1.2
509.19464	2.7
509.31232	100.0
510.31708	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	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72166	1.2
55.25338	1.1
61.98837	15.9
69.23923	4.1
69.24351	5.0
69.47568	1.0
73.02463	1.1
75.73204	1.0
77.49277	1.2
82.95479	1.2
83.01357	1.2
98.73886	1.1
102.06066	1.3
107.01397	3.4
108.02187	2.2
109.02975	3.6
121.02938	4.3
124.01629	1.2
125.02440	4.2
127.84528	1.3
137.05998	1.1
151.00388	12.6
151.04111	1.3
159.82018	1.1
163.00410	2.7
169.01460	3.2
178.99854	5.7
183.80037	1.1
187.03952	1.3
189.01909	2.5
227.03502	3.0
243.02948	9.2
245.04698	1.8
254.02316	1.6
255.03029	20.1
271.02505	41.8
272.02975	3.5
273.04068	1.9
283.02472	3.8
300.02792	72.9
301.03534	49.3
302.03815	3.2
447.09375	100.0
448.09686	11.4
503.48331	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	510.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57556	0.5
56.23727	0.6
56.59676	0.6
60.00619	0.6
61.98838	44.3
62.37983	0.7
70.79990	1.6
76.50146	0.6
76.85286	0.8
81.03449	0.6
104.17361	0.6
111.68781	0.7
125.02466	0.5
151.00395	1.3
156.45070	0.6
188.07228	0.6
199.04085	0.7
216.04073	0.7
227.03445	1.5
243.02989	5.6
254.02176	1.5
255.03001	16.1
256.03406	1.0
269.02615	0.5
271.02509	33.8
272.02985	3.1
299.02051	7.6
300.02774	100.0
301.03152	6.9
315.05127	99.7
316.05469	7.3
373.15784	0.7
432.07001	1.1
447.09369	61.6
448.09708	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	510.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98836	100.0
63.13663	0.2
69.48016	1.5
75.01770	0.2
98.22089	0.7
116.92902	0.3
131.88326	0.2
163.60452	0.2
169.01559	0.3
191.17470	0.3
300.02802	0.3
301.03647	0.3
408.69540	0.3
447.09860	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	511.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.6
98.22713	2.6
101.02434	2.1
101.35855	1.6
103.67177	1.4
107.01405	4.8
108.51864	1.7
124.01683	25.7
125.02448	15.5
139.00369	2.4
139.04002	7.9
168.00655	39.7
169.01431	23.2
179.64470	1.6
183.03001	100.0
184.03352	2.2
206.65146	1.6
227.65598	1.5
229.13783	1.7
255.03053	1.9
271.02438	5.7
300.02753	13.3
300.99829	2.4
301.03436	3.8
335.65869	1.7
475.08890	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	511.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78855	3.0
69.23618	2.5
71.01370	3.0
84.49608	2.3
86.20804	2.3
98.21698	3.4
110.79151	2.4
117.03481	5.5
123.00890	5.4
129.03444	2.9
133.02979	5.8
137.02477	4.5
145.02942	19.8
147.04561	6.2
149.02419	2.7
157.02933	4.1
159.04550	3.4
161.02481	15.1
162.03290	3.6
163.00417	3.9
163.04056	7.2
165.02145	2.5
167.01920	2.8
169.01462	6.8
171.00838	3.9
172.01694	2.6
173.02429	21.2
174.03221	2.3
175.03995	9.4
176.01108	2.8
177.01990	4.9
178.99861	6.3
185.02415	5.1
187.04146	2.7
188.01228	3.3
189.01988	19.2
190.02672	16.5
191.03485	16.6
194.99272	3.2
199.00415	5.3
200.01175	5.3
201.01971	30.6
202.02423	2.9
203.03485	13.6
203.93584	2.5
205.01521	4.0
216.00604	6.4
217.01421	33.4
218.02094	2.6
219.02992	7.3
221.01079	3.0
226.99866	5.5
228.00597	5.8
229.01439	26.6
231.03024	6.2
232.00078	2.7
233.00880	3.0
235.02579	3.5
241.04933	2.4
242.99358	7.6
243.03029	5.4
244.00121	2.8
245.00958	46.8
246.01614	5.5
246.87933	2.7
247.02469	31.7
249.04001	2.6
254.99394	6.7
257.01074	4.0
259.02399	5.7
259.99692	3.4
261.00357	11.2
261.03979	6.3
263.01907	2.7
270.98904	14.5
273.00421	100.0
274.00772	5.0
275.02005	8.6
287.01947	10.1
289.00027	2.4
290.00607	4.3
291.01559	23.1
298.98404	29.7
299.98831	4.1
300.99820	10.2
303.01486	5.3
305.03073	16.5
315.87518	2.5
316.99490	7.4
331.01035	8.3
338.03827	2.4
347.03888	2.9
349.02094	9.2
357.02670	2.7
363.03491	2.7
391.03146	8.6
407.06305	4.3
417.04654	6.8
419.02325	5.4
433.04202	4.3
435.05823	8.9
449.07425	3.6
451.05231	30.0
461.03683	7.1
467.08279	4.7
479.04794	32.7
493.05960	13.1
511.07257	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	511.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54922	0.7
57.03451	5.7
59.01383	1.1
65.00315	1.4
67.01902	0.8
69.41692	5.4
71.01380	2.0
73.92934	0.7
80.16303	0.8
81.03467	1.4
83.01380	3.8
87.48816	0.8
95.01369	1.1
97.02974	1.0
98.21818	1.0
101.02484	0.8
103.02502	0.7
104.28596	0.7
107.01398	5.4
109.02967	0.9
111.00909	0.9
113.02388	1.6
123.00887	3.6
124.01661	1.1
125.02457	79.0
126.02804	2.0
139.00386	1.9
140.01161	0.8
149.02451	1.7
151.00380	11.3
153.01953	7.2
167.03539	1.6
168.00606	1.8
169.01440	42.8
170.01755	1.5
178.99841	1.4
179.03638	0.9
201.02003	1.2
211.02499	3.5
241.03612	1.1
247.02428	0.9
271.04620	2.3
298.98581	0.8
313.05704	24.1
439.08847	100.0
440.09253	8.4
451.05261	2.4
467.08554	2.3
493.06329	8.5
494.06866	1.4
503.32852	1.1
511.07022	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	511.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93798	1.7
59.01371	2.3
60.99309	16.5
71.01391	2.5
88.98812	100.0
89.02489	1.7
98.21803	7.0
101.02480	2.9
111.00965	2.0
118.96783	2.1
123.00887	11.5
125.02454	30.5
137.02449	3.5
139.00389	5.6
140.01208	2.7
141.01868	2.2
150.03058	2.0
151.00349	7.7
151.38490	2.0
153.01961	1.9
168.00685	4.3
169.01434	32.5
298.30804	1.7
421.11484	74.8
422.11917	4.8
511.18332	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	511.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.3
67.01872	0.8
69.03468	0.7
70.76155	1.0
71.01389	4.0
72.99323	0.5
73.02939	1.0
75.98888	0.5
79.01888	0.8
81.03477	0.6
85.02959	2.3
87.00895	0.5
95.01398	5.9
97.02937	1.0
99.00873	1.0
101.02456	2.0
107.01395	6.7
109.02966	0.7
111.00912	2.2
113.02447	2.8
115.08328	0.5
121.02985	2.5
123.00902	32.0
123.04549	0.8
124.01682	1.7
125.02464	36.9
126.02788	1.3
127.00351	0.7
130.62807	0.5
134.03743	1.8
135.04465	0.7
136.98816	1.0
137.02470	1.6
138.03249	8.2
139.00365	4.1
139.04037	0.6
140.01192	4.3
141.01933	0.8
149.06085	1.6
151.00398	9.6
151.04037	0.9
153.01944	1.2
153.05592	4.3
154.99892	0.7
165.01926	0.9
166.02670	0.6
166.98462	1.3
166.99879	25.6
168.00664	6.4
169.01445	48.6
170.01790	1.5
181.01445	1.4
182.02235	58.7
183.02774	2.9
193.01384	0.9
197.04567	66.2
198.04909	2.6
211.02556	1.2
241.03357	0.7
269.28134	0.5
313.05692	100.0
314.06052	4.9
327.07169	1.0
451.25323	0.6
467.11890	3.5
467.17783	0.6
493.11584	0.6
511.11292	17.8
512.10352	1.0
516.97607	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	511.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85930	0.6
63.32241	0.6
67.01906	1.1
68.99825	0.6
70.73447	1.5
71.01387	3.9
78.89018	0.6
79.01873	0.6
85.02962	2.3
87.00874	0.7
95.01403	5.2
97.02951	1.2
101.02467	1.4
107.01414	6.0
109.02922	1.0
110.30109	0.6
111.00877	2.2
113.02460	2.5
121.02956	3.3
123.00895	32.4
124.01685	1.9
125.02455	32.9
127.00405	1.0
134.03700	0.8
136.98820	2.3
137.02464	1.1
138.03241	7.6
139.00359	4.6
140.01202	3.5
141.01970	0.8
149.06099	0.9
150.03239	0.7
150.56339	0.7
150.99336	1.0
151.00407	9.9
153.01947	1.1
153.05588	4.7
166.99875	23.7
168.00667	7.3
169.01442	44.5
170.01764	1.3
181.01547	0.8
182.02225	60.8
183.02928	3.7
197.04565	67.2
198.04901	2.2
211.02431	1.4
233.02971	0.6
241.03503	1.3
306.93835	0.7
313.05679	100.0
314.05939	5.2
327.07263	1.4
387.84143	0.6
393.72409	0.6
467.12085	3.6
511.10458	19.7
512.11298	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	511.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03724	0.5
59.01368	1.0
61.98838	5.8
69.03450	1.7
71.01382	1.1
71.26620	0.9
79.01894	0.5
80.91704	0.6
81.03443	0.9
83.01366	0.5
88.98805	0.9
95.01409	1.1
96.95985	0.7
97.02966	1.4
101.02492	0.6
108.02178	1.1
109.02985	0.6
123.00897	2.1
123.04513	0.6
124.01678	8.3
125.02463	57.7
126.02784	1.5
137.02441	1.6
139.04028	1.7
139.61986	0.5
142.74086	0.5
168.00665	9.5
169.01445	100.0
170.01707	3.0
177.02036	0.5
178.02792	1.1
183.01357	1.0
183.03003	19.3
184.03435	0.9
193.05080	0.9
197.18050	0.5
217.01428	0.5
222.55994	0.5
271.02628	2.5
272.02856	2.6
287.09225	2.9
289.07187	1.0
299.02063	2.3
300.02399	9.2
301.02832	0.6
314.99857	0.4
315.05521	0.6
316.05380	1.6
316.99747	1.6
342.06412	0.5
349.02133	1.2
371.07828	0.5
433.07312	2.0
447.08835	0.6
448.09662	10.1
449.10107	1.3
481.15103	1.6
485.26694	0.5
511.07605	1.0
511.14777	4.0
511.25531	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	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.2
60.99300	0.9
69.02771	8.3
69.03448	1.2
71.01391	1.1
77.50490	0.8
79.01883	0.8
85.02999	0.9
88.98814	8.8
93.70317	0.8
95.01385	2.1
96.25909	0.9
97.02959	1.9
109.02952	2.6
119.04245	0.7
123.00897	3.6
123.04489	1.1
124.01658	3.0
125.02460	100.0
126.02777	2.7
139.00407	0.8
150.30814	0.9
151.00429	1.8
153.09187	2.7
166.99863	1.0
167.03441	1.0
168.00626	6.6
169.01445	82.7
170.01779	2.5
177.01894	1.1
189.01933	2.1
211.02396	1.5
217.01421	3.5
263.09293	0.9
287.07709	2.4
313.05826	2.2
331.06827	4.0
341.12271	0.9
357.06097	2.8
371.07718	2.6
421.11426	7.5
423.16641	5.3
467.15677	13.3
511.14438	20.3
512.14789	1.9
520.14117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1462
Annotation	Amphicoside
Peak:m/z	Relative Intensity
55.97307	0.4
56.69952	0.4
59.01374	1.4
59.15498	0.4
63.51112	0.4
63.90836	0.5
67.01910	0.6
68.13338	0.6
69.03463	0.4
71.01393	2.9
72.99312	0.5
79.01874	0.7
81.03489	0.4
83.01405	1.3
85.02953	1.1
88.83549	0.5
89.02452	0.9
90.70182	0.4
95.01394	1.3
97.02946	0.8
98.22541	0.9
101.02472	1.5
107.01398	7.9
109.02945	0.6
111.00899	1.8
112.59931	0.5
113.02477	1.5
121.02971	0.7
122.03763	3.6
123.00903	10.4
123.04533	1.6
124.01682	1.3
125.02461	45.5
126.02805	0.8
127.00396	0.6
136.01675	0.5
136.98819	1.2
137.02475	1.2
139.00394	4.3
139.04012	0.7
140.01158	3.4
141.01979	0.8
151.00374	7.2
151.01613	0.6
153.02013	0.7
166.99829	0.6
167.03572	0.5
168.00653	3.6
169.01443	54.7
170.01807	1.7
179.03558	0.4
179.92767	0.4
182.05849	10.7
183.02959	2.4
183.06606	1.0
183.47443	0.4
193.05017	0.4
197.08200	6.4
211.02455	2.3
225.04193	0.8
237.56474	0.5
241.03595	1.0
253.03542	1.0
271.04785	1.1
313.05685	14.3
314.06152	0.9
327.07095	1.0
349.09317	3.5
493.13010	0.6
511.14615	100.0
512.14886	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	511.146
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
59.01372	0.8
67.01888	0.6
69.03448	1.5
71.01384	3.8
71.26675	0.7
72.99295	0.6
73.13459	0.5
79.01903	1.2
83.01409	0.7
85.02946	1.4
95.01394	2.5
97.02995	1.0
101.02456	1.2
107.01402	9.4
109.02972	2.1
111.00897	2.0
113.02460	1.4
123.00903	12.4
124.01674	1.1
125.02467	50.8
126.02785	0.9
127.00385	0.7
134.03723	1.8
135.04509	1.9
136.98816	1.3
137.02469	5.9
139.00380	4.4
139.03946	0.5
140.01176	3.1
141.01915	1.8
149.02437	0.5
151.00383	8.9
151.03998	1.1
153.01974	3.0
153.05571	1.2
166.99866	1.6
167.03563	0.8
168.00650	4.1
169.01448	65.8
170.01772	2.0
179.03502	1.0
179.07083	0.5
182.02290	3.3
182.05869	13.4
183.03023	2.1
183.06458	0.7
189.11388	0.5
193.01465	0.7
195.02946	0.5
197.04608	3.0
197.08215	8.3
211.02522	1.3
241.03616	1.8
253.03604	0.9
287.02054	0.9
297.06238	0.6
313.05670	25.7
314.05978	1.6
327.07385	1.3
366.24530	0.5
439.08899	0.7
467.12018	0.5
493.06619	1.3
493.13272	1.2
511.14716	100.0
512.15051	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	511.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
61.84637	0.2
61.98814	0.3
67.01894	0.3
69.03468	1.3
69.26478	0.9
69.26914	0.9
70.18333	0.2
79.01878	0.5
81.03474	0.8
95.01411	0.4
95.83843	0.2
97.03003	1.4
97.03512	0.3
98.21850	0.5
107.01392	0.4
123.00915	0.6
124.01676	0.8
125.02457	57.0
126.02802	1.6
135.04500	0.3
137.02489	0.3
153.09192	0.6
155.03540	0.4
162.24753	0.3
168.00652	0.7
169.01434	100.0
170.01759	2.9
186.28806	0.3
206.89560	0.3
239.09377	0.4
289.06976	0.4
301.03085	0.4
313.05780	0.3
331.06711	0.3
363.80606	0.2
467.15170	0.4
511.14392	3.4
511.27838	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	511.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60286	0.4
57.98868	0.4
59.01374	1.1
61.98834	6.0
68.99820	0.5
69.03455	1.8
71.01397	1.0
71.27414	0.6
79.01891	0.5
81.03491	0.7
85.02963	0.4
88.98872	0.4
95.01421	0.9
97.02963	1.7
105.62862	0.4
107.01424	0.6
107.67034	0.4
108.02200	1.1
109.02955	0.6
111.00884	0.5
123.00909	2.5
123.04562	0.9
124.01679	8.0
125.02464	57.7
126.02802	1.2
137.02422	0.8
139.00392	0.6
139.04036	2.2
150.03226	0.5
154.26311	0.4
165.01912	0.4
166.99922	0.7
168.00661	9.1
169.01445	100.0
170.01775	3.6
178.02690	0.5
183.03006	21.5
184.03267	0.7
193.05051	1.4
221.83183	0.4
262.82141	0.5
271.02521	1.4
272.02832	1.6
272.06894	0.4
287.09225	3.3
289.07184	0.5
299.01883	2.7
300.02374	6.6
301.03046	1.2
315.05258	0.7
316.05646	0.7
316.99661	1.5
349.02081	0.8
371.08023	0.4
433.07394	1.9
448.09717	9.9
449.09976	0.9
449.15991	0.4
451.19955	0.5
481.14963	2.2
491.91534	0.5
511.06812	0.8
511.14795	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	511.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08004	0.2
61.98819	0.7
68.30325	0.2
70.53847	0.4
70.54202	0.6
75.79393	0.2
79.95744	1.9
96.96020	100.0
97.95975	0.3
109.02895	0.3
123.00876	0.3
124.01698	0.4
124.10441	0.2
125.02460	9.0
126.02795	0.3
145.02910	0.3
151.00377	0.3
168.00656	0.6
168.22235	0.2
169.01442	6.9
224.71474	0.2
256.03177	0.3
272.02991	0.2
287.07809	0.7
294.63837	0.2
301.03268	0.8
302.03961	0.6
331.06915	1.1
349.09460	0.3
409.70105	0.2
448.09738	1.4
453.88834	0.2
467.15393	1.4
511.14783	5.2
520.97394	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	511.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97994	0.2
51.84061	0.2
53.26537	0.2
53.50906	0.2
59.01379	1.0
60.38987	0.2
60.49645	0.3
60.99302	0.5
68.99680	2.5
79.95746	2.0
88.98808	3.0
96.96020	100.0
97.95975	0.4
98.21805	0.5
98.95601	1.0
102.82217	0.2
108.46857	0.2
123.00864	0.4
125.02458	2.9
127.00267	0.2
135.31836	0.3
151.00429	0.4
157.68611	0.2
162.72842	0.3
169.01433	2.8
207.13866	0.6
259.01239	1.3
269.13965	2.3
349.09702	2.2
376.77625	0.2
421.11322	2.2
431.19147	0.7
467.15485	0.3
511.14908	12.1
512.15729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
60.99302	1.7
62.53707	0.3
71.26191	0.3
79.95751	2.1
88.98814	7.2
92.54292	0.3
96.96022	100.0
97.02945	0.4
97.95942	0.5
98.95602	0.3
104.71556	0.3
107.35887	0.3
111.00881	0.4
121.44646	0.2
123.00890	0.9
125.02472	2.9
125.72672	0.3
137.55321	0.3
139.00400	0.6
151.00404	0.6
165.21996	0.3
169.01486	1.9
207.13959	0.6
209.76152	0.2
259.01270	1.4
269.14023	1.8
279.94766	0.3
325.89221	0.3
349.09683	1.9
421.11475	7.3
422.11685	0.9
431.19336	0.8
511.14865	12.4
512.15265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54408	0.6
55.59956	0.6
61.17536	0.6
63.53696	0.6
65.00333	1.0
66.54868	0.7
67.01871	1.3
69.03460	0.7
71.01379	1.2
71.56795	0.6
72.99290	0.9
79.01898	1.3
90.41995	0.6
95.01404	5.6
98.21786	1.1
106.41233	0.7
107.01404	7.9
109.02964	1.0
110.00114	0.7
111.00875	5.1
121.02982	3.6
123.00898	23.3
123.04501	0.7
124.01664	2.9
125.02463	25.4
126.02742	0.6
127.00385	2.1
136.98801	2.8
137.02461	1.3
138.22591	0.6
139.00391	8.9
139.04021	5.1
140.01151	7.4
141.01984	1.4
150.57027	0.7
151.00412	3.8
151.04118	0.7
153.01981	1.6
166.99870	10.5
168.00662	7.8
169.01443	19.5
179.47565	0.6
183.02998	12.8
190.39922	0.6
195.02966	2.9
197.04555	1.0
255.06531	0.8
269.08206	1.7
280.07208	0.6
281.08170	1.4
282.08960	1.8
293.08310	0.9
295.09836	0.8
297.10938	0.7
299.09323	1.6
300.10144	2.9
311.09268	1.2
314.11630	2.5
315.12421	5.9
326.11578	2.6
327.12479	3.1
329.14053	1.9
332.08939	2.0
344.09622	0.7
370.09982	0.6
375.10919	4.6
383.52496	0.7
436.46033	0.7
445.08859	0.7
448.12082	1.5
449.12634	1.0
451.10339	7.4
460.11649	0.7
463.10483	2.8
465.11679	0.7
466.12744	9.7
478.12723	8.5
479.13345	0.8
481.15085	100.0
482.15390	10.1
493.15091	48.4
494.15405	5.8
511.16095	17.6
512.16431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1617
Annotation	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
57.03440	1.1
59.01390	5.6
60.72245	0.8
61.98825	4.2
69.03463	1.4
70.90299	1.5
71.01384	3.1
75.07075	0.8
83.01348	1.4
89.02407	1.6
95.01357	4.2
96.96024	2.6
98.02548	0.9
101.02439	1.1
107.01399	10.2
109.02943	2.0
110.00106	1.2
111.00896	6.9
113.02447	1.2
121.02973	1.9
123.00901	9.3
123.04546	2.4
124.01667	4.2
125.02466	22.9
126.02766	1.1
127.00380	2.1
128.23491	0.8
136.98813	3.6
137.02477	4.8
138.03152	0.8
139.00407	7.5
139.04021	6.8
139.11327	1.3
140.01187	8.2
141.01936	3.7
145.38524	0.8
151.00409	1.4
153.01906	1.6
155.03528	1.1
155.99858	0.9
166.99847	3.9
167.03482	4.9
168.00674	11.5
169.01442	24.0
179.05667	1.1
181.01476	2.5
181.12398	0.9
183.03004	16.7
183.10315	1.9
184.10535	1.1
236.83171	0.9
243.12314	4.6
268.20242	0.9
345.15695	2.8
349.20294	4.7
421.07358	6.4
439.08411	2.1
496.13916	4.1
511.16196	100.0
512.16486	12.5
512.23920	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	511.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06868	0.9
57.03447	3.3
59.01381	14.6
67.01904	1.2
69.03445	2.2
71.01379	1.7
71.28088	1.2
81.03461	3.6
83.01363	2.3
95.05030	2.0
96.95980	1.2
97.02966	3.8
109.02962	10.8
111.00917	1.0
118.03162	0.9
121.02941	1.4
123.00900	2.0
123.04507	6.8
124.01676	17.0
125.02460	86.7
126.02791	1.8
135.04553	1.3
137.02460	12.8
139.00383	1.4
139.04027	7.8
141.05583	1.3
145.02980	3.7
149.02463	2.3
151.04015	6.1
159.04512	2.8
161.02446	1.0
161.06099	2.9
164.01207	1.6
165.01935	3.0
167.03531	1.1
168.00650	24.9
169.01442	100.0
170.01787	2.8
175.04007	1.1
177.09235	1.9
179.03502	3.4
183.03014	46.8
184.03445	1.6
185.06146	1.9
187.03975	1.9
188.04852	2.1
195.10332	5.1
201.05763	1.1
203.07190	7.0
205.05055	3.1
210.86653	0.9
221.08220	2.9
227.07112	2.4
235.05083	1.4
239.09264	16.8
245.08159	8.2
253.05064	3.5
271.02859	1.5
271.06091	12.7
271.08887	1.7
289.07196	56.1
290.07611	3.5
300.02740	2.0
302.88617	1.1
373.12875	1.4
467.17108	2.4
475.09082	1.6
478.66647	1.0
511.18466	14.3
512.18207	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	511.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30449	0.3
59.01371	0.5
61.98820	0.4
66.18791	0.3
66.23060	0.4
69.28139	2.5
71.01372	0.6
88.27745	0.3
88.98829	1.3
92.97511	0.7
95.01376	0.4
96.96019	1.3
97.02936	0.5
107.01392	0.6
111.00871	0.6
123.00900	1.6
124.01677	26.9
125.02502	5.8
130.17598	0.3
137.02515	0.3
139.00414	1.6
139.04019	7.5
140.01178	0.4
168.00659	41.6
169.01436	10.1
170.01642	0.5
183.03003	100.0
184.03302	2.9
300.02847	0.7
300.99792	0.5
330.04730	0.3
338.95923	0.3
382.35410	0.3
451.20724	0.3
475.09000	0.4
511.17972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76419	0.2
57.03452	0.2
59.01394	0.3
61.98839	2.8
65.00308	0.2
67.01882	0.2
69.03445	0.7
71.01384	0.6
71.64361	0.3
77.84549	0.3
81.84751	0.2
83.01373	0.3
83.19486	0.3
95.01364	0.4
96.36103	0.2
97.02952	0.3
100.59356	0.2
110.00113	0.3
111.00890	2.1
111.08166	0.5
116.92856	0.9
120.31306	0.3
121.47224	0.2
123.00903	2.7
124.01663	1.3
125.02470	0.8
127.00426	1.2
136.98801	1.5
139.00383	2.3
139.11349	0.4
140.01166	3.2
141.01918	0.6
151.00407	0.6
153.01955	0.6
154.99875	0.4
166.99879	2.3
168.00661	6.2
169.01424	1.0
169.16307	0.2
181.01466	1.3
182.02243	6.9
183.02995	100.0
183.10258	0.7
184.03331	3.7
206.10854	0.2
225.04066	1.0
258.46786	0.3
327.07233	1.4
343.73853	0.3
345.08255	2.8
349.20255	1.0
511.18225	36.8
512.18604	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	511.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92665	4.0
55.01888	6.2
57.03461	5.0
59.01380	38.7
61.98825	15.9
71.01392	89.1
71.26569	6.7
72.99312	5.4
73.02959	23.4
78.91892	6.9
83.01407	12.6
85.02960	30.2
88.98832	10.1
89.02440	17.5
89.17666	3.9
95.01424	6.9
96.96039	9.1
99.00893	12.3
101.02454	66.1
113.02467	39.3
119.03516	5.2
123.00901	6.0
124.01650	19.9
125.02480	25.6
161.04579	33.0
168.00668	57.5
169.01468	27.3
179.68573	4.2
183.02992	62.3
203.03383	5.1
207.67401	4.2
208.36256	4.7
247.02443	5.2
272.02805	5.1
275.02405	4.2
289.16580	32.5
300.99960	19.6
301.03073	6.8
302.03845	6.3
313.05682	4.2
327.07214	11.3
343.88715	4.6
366.09869	5.3
369.08759	4.4
448.09842	12.6
451.21957	100.0
452.22336	5.6
509.02457	4.7
511.18265	5.8
511.25668	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	511.2552
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
58.00574	1.5
58.34424	0.5
59.01387	27.8
69.16241	2.3
69.16665	2.0
71.01391	16.5
72.01735	0.6
72.99300	1.6
83.01413	0.6
85.02946	2.4
87.00874	1.1
87.98132	0.5
89.02456	23.1
95.01386	2.0
98.22498	0.9
100.04608	0.6
101.02454	10.6
104.68095	0.7
107.01392	1.1
113.02457	8.7
119.03519	10.9
125.02465	3.0
129.11664	0.5
131.03511	1.3
135.77878	0.5
143.03523	2.3
149.04604	1.0
156.11140	0.5
161.04523	2.6
169.01466	2.9
175.24440	0.5
177.90132	0.5
179.05606	9.1
179.07022	0.9
185.78676	0.5
231.35429	0.5
269.19147	2.4
287.20126	1.6
305.21298	5.7
306.21402	0.8
331.19141	18.0
332.19522	1.3
349.20227	100.0
350.20599	9.4
363.21725	1.2
391.21295	5.6
441.02930	0.5
504.59137	0.6
511.25513	66.1
512.25824	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	511.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83849	0.4
59.01383	44.3
60.09635	0.4
64.68790	0.5
71.27223	0.7
81.03457	3.0
83.05035	10.7
84.05384	0.5
88.98811	0.7
96.95997	0.6
125.02434	1.1
125.07255	1.3
126.52901	0.5
143.08275	0.6
169.01442	1.1
199.69560	0.4
207.15025	1.1
222.49951	0.5
224.17740	3.1
225.16090	8.6
225.52000	0.5
242.18777	0.8
324.26575	1.5
333.23065	2.4
339.27768	0.5
351.24057	0.9
367.27081	1.0
430.89413	0.5
433.31934	4.7
434.32297	0.7
451.32925	100.0
452.33188	10.4
534.70099	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	513.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
61.39274	0.3
61.98827	0.9
63.02400	2.4
63.24452	0.3
65.00335	3.5
65.00668	0.5
71.01379	0.6
71.27113	0.5
73.02967	0.4
79.95734	0.9
80.96497	0.3
82.95325	0.3
83.01397	3.2
91.01869	0.3
93.03476	1.5
95.01353	0.4
96.96023	0.8
97.02956	0.6
98.05398	0.3
99.00891	0.5
101.02453	0.7
107.00738	0.6
107.01408	7.4
108.02220	0.6
109.02959	4.4
111.00862	0.5
111.04527	0.6
113.02461	0.4
119.01369	0.6
119.03492	0.4
121.02982	6.9
123.00868	1.7
123.04537	1.1
124.01678	1.1
125.01523	0.5
125.02467	8.6
132.48976	0.3
134.03679	0.3
135.04520	0.4
136.01645	0.4
137.02478	2.9
139.00388	0.8
139.04021	1.1
140.01122	0.4
145.02937	0.4
148.01640	0.3
149.02461	2.0
150.03238	2.2
151.00388	29.2
151.03999	1.3
152.00761	1.1
153.05612	0.6
159.04501	1.1
161.02420	0.9
161.06097	0.7
163.00388	4.3
163.03922	0.7
164.01160	0.6
165.01891	0.8
165.05539	2.0
167.03487	0.4
168.00632	1.1
169.01445	7.1
171.04553	0.4
175.04033	0.9
177.02016	0.4
178.99876	13.4
180.00337	0.7
183.04509	0.7
185.06120	0.6
187.04002	0.9
193.01454	0.9
195.03044	0.6
195.06718	1.7
197.04599	0.6
199.04073	0.6
201.05571	0.9
203.03482	0.5
203.07201	0.8
205.05063	1.1
210.99191	1.1
211.04036	1.5
212.04604	0.4
215.03426	0.4
227.03525	1.6
228.04195	0.5
229.05106	1.5
239.03516	0.7
240.04468	0.4
243.02995	0.4
245.04570	2.6
245.08237	0.7
255.03014	3.0
256.07385	0.4
257.04504	0.6
266.02048	0.4
271.02560	1.2
271.06036	0.5
272.06937	0.4
273.04053	2.2
273.74408	0.3
283.02573	1.5
284.02710	0.5
287.09235	2.7
289.07156	1.8
300.02835	1.2
301.03571	100.0
302.03891	6.5
313.05829	0.4
361.09381	3.3
433.07782	1.0
495.09875	0.6
513.03680	2.3
513.10547	0.4
513.12067	0.3
513.20319	6.8
513.27173	0.6
514.20490	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	513.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
61.39274	0.3
61.98827	0.9
63.02400	2.4
63.24452	0.3
65.00335	3.5
65.00668	0.5
71.01379	0.6
71.27113	0.5
73.02967	0.4
79.95734	0.9
80.96497	0.3
82.95325	0.3
83.01397	3.2
91.01869	0.3
93.03476	1.5
95.01353	0.4
96.96023	0.8
97.02956	0.6
98.05398	0.3
99.00891	0.5
101.02453	0.7
107.00738	0.6
107.01408	7.4
108.02220	0.6
109.02959	4.4
111.00862	0.5
111.04527	0.6
113.02461	0.4
119.01369	0.6
119.03492	0.4
121.02982	6.9
123.00868	1.7
123.04537	1.1
124.01678	1.1
125.01523	0.5
125.02467	8.6
132.48976	0.3
134.03679	0.3
135.04520	0.4
136.01645	0.4
137.02478	2.9
139.00388	0.8
139.04021	1.1
140.01122	0.4
145.02937	0.4
148.01640	0.3
149.02461	2.0
150.03238	2.2
151.00388	29.2
151.03999	1.3
152.00761	1.1
153.05612	0.6
159.04501	1.1
161.02420	0.9
161.06097	0.7
163.00388	4.3
163.03922	0.7
164.01160	0.6
165.01891	0.8
165.05539	2.0
167.03487	0.4
168.00632	1.1
169.01445	7.1
171.04553	0.4
175.04033	0.9
177.02016	0.4
178.99876	13.4
180.00337	0.7
183.04509	0.7
185.06120	0.6
187.04002	0.9
193.01454	0.9
195.03044	0.6
195.06718	1.7
197.04599	0.6
199.04073	0.6
201.05571	0.9
203.03482	0.5
203.07201	0.8
205.05063	1.1
210.99191	1.1
211.04036	1.5
212.04604	0.4
215.03426	0.4
227.03525	1.6
228.04195	0.5
229.05106	1.5
239.03516	0.7
240.04468	0.4
243.02995	0.4
245.04570	2.6
245.08237	0.7
255.03014	3.0
256.07385	0.4
257.04504	0.6
266.02048	0.4
271.02560	1.2
271.06036	0.5
272.06937	0.4
273.04053	2.2
273.74408	0.3
283.02573	1.5
284.02710	0.5
287.09235	2.7
289.07156	1.8
300.02835	1.2
301.03571	100.0
302.03891	6.5
313.05829	0.4
361.09381	3.3
433.07782	1.0
495.09875	0.6
513.03680	2.3
513.10547	0.4
513.12067	0.3
513.20319	6.8
513.27173	0.6
514.20490	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	513.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
61.70010	1.3
69.27351	1.1
71.01378	3.7
71.25604	3.0
78.95902	2.8
85.02959	3.2
88.98836	1.2
89.02487	1.6
91.05550	2.5
93.03485	2.4
95.01359	1.3
96.96028	4.6
97.66308	1.3
101.02456	1.3
107.05021	1.9
109.02991	1.7
117.03448	5.0
119.05036	6.4
123.00914	2.3
125.02480	2.4
129.03499	1.8
133.03035	2.0
135.04520	14.0
137.02473	9.1
145.02979	12.9
147.04538	17.7
149.02527	1.5
159.04552	2.4
161.02493	5.7
162.03194	1.9
163.00380	9.2
163.04013	41.7
164.01161	3.0
165.01930	13.5
173.02505	9.9
174.03154	2.0
175.04005	9.3
176.01149	1.7
177.01987	4.2
177.05573	2.8
178.99957	1.9
179.03510	1.9
185.02492	2.7
189.01944	8.6
190.02727	39.0
191.03510	100.0
192.03859	3.7
193.01454	3.6
201.01993	11.1
203.03499	5.0
205.01498	2.6
205.05060	4.7
207.03052	4.0
208.00136	3.9
209.00980	20.4
209.02879	3.0
209.04648	3.9
216.00673	1.8
217.01439	25.9
218.02074	4.5
218.99565	1.7
219.03011	20.2
229.01411	8.2
231.02975	4.4
233.01045	1.7
233.04546	1.6
234.01688	7.3
235.02489	48.5
236.02885	1.6
245.00896	11.8
247.02614	3.1
249.00354	1.9
249.04065	2.8
251.01949	4.5
257.00925	6.8
258.01630	1.5
259.02472	1.4
261.00461	2.9
263.01965	13.9
275.01959	31.1
276.02301	1.4
277.03555	38.1
278.03925	2.3
288.99960	4.3
300.99924	59.2
302.00308	3.8
305.02881	6.8
307.01096	1.8
307.04596	3.5
311.04102	9.1
333.02502	2.8
335.03830	2.0
337.05679	82.6
338.06018	6.1
345.82544	1.3
365.05093	14.5
366.05737	1.9
371.06485	6.8
381.04474	2.0
397.07822	37.2
398.08087	3.1
409.04144	1.9
421.04364	1.7
425.07318	5.6
441.06775	2.8
451.04700	1.8
453.06433	1.6
469.06161	6.9
481.06409	9.4
483.16629	1.5
513.05365	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	513.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82093	0.8
59.01380	1.7
59.10141	1.0
62.19468	0.8
62.19909	0.9
70.80334	0.8
70.95135	2.4
71.01382	2.8
85.02966	2.0
88.67940	0.9
89.98370	0.8
99.00898	1.2
109.02940	1.0
113.02512	1.0
119.05012	1.4
123.00918	2.0
125.02458	2.2
129.03485	1.3
131.05034	1.4
133.02946	2.4
137.02449	8.9
145.02957	1.8
147.04536	3.6
148.01680	1.1
157.02962	1.7
159.04550	2.5
161.02490	1.5
163.00371	2.9
163.04025	1.7
165.01936	4.0
173.02477	4.0
175.04062	4.3
177.01929	3.2
185.02455	4.5
187.04135	1.1
189.01926	2.8
190.02823	1.0
190.99928	1.6
191.03528	3.9
193.01447	6.2
201.01929	5.1
203.03546	10.6
205.01498	1.5
208.00217	1.0
209.00935	2.9
209.02933	1.9
213.02016	2.3
217.01511	2.6
217.44652	1.1
218.99400	1.7
219.03003	3.5
221.01024	1.0
229.01445	14.2
230.01901	1.5
231.02977	8.6
233.00829	1.0
237.00406	5.9
245.00958	5.2
247.02531	9.9
248.02954	0.9
249.04015	8.7
251.02110	1.3
257.00916	21.2
258.01633	5.5
273.00436	5.8
274.01089	1.6
275.01990	100.0
276.02261	4.7
279.01517	3.7
283.99716	2.1
300.99911	93.0
302.00177	7.2
333.02530	3.6
351.03751	1.1
379.66409	0.9
381.04538	2.0
404.20779	1.1
421.04291	6.8
437.07257	1.6
453.06836	4.9
481.06213	25.2
482.06656	3.2
513.08789	10.3
514.09015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42836	1.5
55.62427	1.4
59.01396	2.9
69.36211	11.0
71.01394	2.0
80.96435	1.4
91.01904	1.4
109.02980	1.8
110.01337	1.3
116.31287	1.7
117.03385	1.4
123.00915	2.9
124.01694	2.4
129.03532	1.9
129.51367	1.4
135.00923	1.6
137.02473	27.9
145.02992	3.3
147.00935	2.3
147.04561	1.8
148.01721	1.8
157.02982	2.4
159.04552	2.1
161.02504	2.9
163.00377	4.2
163.03975	1.8
164.01178	2.6
165.01982	6.1
173.02463	4.4
175.04059	4.4
177.01996	3.4
185.02484	5.8
188.92653	1.6
189.01909	3.3
190.02647	1.5
190.99907	5.7
191.03522	3.7
192.00624	2.1
193.01422	19.9
201.01941	11.0
203.03426	7.9
206.99506	2.0
207.02835	1.8
208.00166	3.0
209.00977	3.3
213.01923	2.5
217.01376	3.5
218.99309	3.5
219.03033	3.9
229.01418	18.4
230.02011	1.6
231.02980	6.0
235.02516	1.5
235.99770	1.6
237.00436	15.4
245.00932	7.3
247.02553	7.0
249.04071	6.7
251.02031	3.8
257.00925	24.8
258.01483	6.8
259.02090	2.0
263.37509	1.4
273.00415	4.9
274.01157	1.4
275.01987	94.9
276.02371	5.5
279.01526	13.8
283.99823	2.6
289.03604	2.9
300.99905	100.0
302.00229	5.5
333.02533	8.2
377.01224	1.5
381.04187	1.6
421.04370	4.0
423.09964	2.0
453.06793	10.7
481.06290	23.1
503.40033	1.5
513.08881	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	513.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72140	1.0
57.19825	1.3
58.91290	1.0
59.01375	2.5
62.09298	1.2
66.26775	1.1
67.90314	1.1
71.01372	1.1
95.36034	1.2
99.00860	1.4
109.02962	1.2
123.00884	2.7
124.01738	1.6
129.03488	1.6
132.27325	1.1
137.02464	28.0
145.02940	2.2
147.00873	1.3
147.04568	2.1
154.59831	1.1
157.02943	2.4
161.02504	1.4
163.00383	4.0
163.03917	1.4
165.01950	5.6
170.87703	1.3
170.89931	1.2
173.02455	4.2
175.04053	3.7
177.01944	3.0
185.02422	5.9
189.02010	2.3
190.99956	3.2
191.03539	3.9
192.00650	1.9
193.01439	18.3
201.01939	7.5
203.03529	6.7
207.03000	1.3
208.00172	3.4
209.01035	1.7
213.02052	2.7
214.29887	1.3
216.91655	1.5
217.01477	3.6
218.02136	1.3
218.99452	3.1
219.03026	2.4
229.01463	16.3
230.01982	2.3
231.02966	3.9
233.00812	1.5
235.02660	1.6
237.00423	18.2
245.00954	8.2
247.02444	6.5
249.03989	1.7
251.02162	2.2
257.00943	23.0
258.01520	6.3
273.00491	5.2
274.01196	1.3
275.02002	66.2
276.02341	3.5
279.01453	14.1
283.99545	2.3
289.03687	2.7
300.99930	100.0
302.00336	6.4
309.02859	1.5
321.02414	1.4
333.02542	7.9
361.01923	1.3
381.04602	1.5
421.04102	4.8
453.06744	9.4
454.07648	1.6
481.06339	27.0
482.06680	2.4
513.08954	4.2
528.94800	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	513.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61040	1.6
60.99313	14.0
70.06259	4.3
70.06613	3.3
71.01405	2.6
79.92699	1.7
88.98815	72.2
107.01396	2.0
108.02164	2.4
108.23834	1.5
109.03008	4.3
112.32857	1.6
123.00912	9.1
125.02473	23.4
139.00366	1.8
140.01207	3.2
144.32431	1.6
151.00383	5.9
168.00610	3.8
169.01457	28.2
170.01845	2.0
187.10658	1.9
303.12250	2.0
313.05832	8.3
396.42749	2.2
423.09409	100.0
424.09680	8.5
430.42789	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	513.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36182	0.5
69.03448	1.2
71.07716	0.6
71.97270	0.5
81.03468	0.5
83.41052	0.5
95.01376	1.1
97.02959	2.1
97.03525	0.4
101.10246	0.5
108.02187	2.4
118.97752	0.5
122.23521	0.5
123.00881	1.6
123.01699	0.5
123.04546	4.3
124.01669	4.8
125.02464	77.6
126.02788	2.0
136.01691	0.6
136.74986	0.4
136.84105	0.5
137.02510	0.8
137.09764	0.9
139.00406	0.7
151.00317	0.6
161.70425	0.5
166.99820	0.8
167.03506	0.5
168.00648	7.3
169.01442	100.0
170.01764	3.9
195.03020	2.1
211.02452	1.2
224.50658	0.5
288.62112	0.5
290.47687	0.4
313.05640	3.3
320.55859	0.5
331.06714	22.4
332.07016	1.6
495.15009	2.6
513.03613	1.3
513.16162	51.6
514.16498	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	513.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.3
59.03183	0.4
61.31929	0.3
69.42258	2.4
73.02963	2.5
81.07096	0.8
85.06593	1.6
90.80343	0.3
97.06593	1.5
99.08166	18.1
101.06112	2.0
113.06101	7.0
115.07661	100.0
116.07994	2.1
119.05037	30.8
120.05373	1.1
125.02451	3.5
125.06066	0.8
129.05595	1.6
141.99323	0.3
143.07156	19.9
144.07526	0.5
159.06648	5.9
163.04022	30.4
164.04362	0.9
164.31123	0.3
169.01424	5.6
169.05057	0.7
215.76674	0.4
242.57535	0.4
313.05685	0.4
325.09286	0.5
513.15668	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	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.9
69.48166	1.1
69.48569	1.7
73.02952	2.4
80.07297	0.5
81.07092	0.5
83.44701	0.4
85.06594	1.1
96.19254	0.4
96.96026	2.8
97.06599	2.0
98.95609	3.2
98.96388	0.6
99.08165	19.9
101.06059	1.3
113.06103	4.8
113.29803	0.5
115.07664	75.5
116.08001	1.2
119.05038	83.3
120.05372	2.3
124.01675	0.6
125.02448	2.0
125.06109	0.6
129.05605	0.7
132.55341	0.5
143.07156	21.0
144.07478	0.8
145.02939	0.9
151.00414	1.2
159.06644	5.0
163.04025	100.0
164.04318	3.4
169.01445	3.2
169.05099	1.1
178.99812	0.6
204.39189	0.6
212.24370	0.5
301.03528	3.4
325.09280	15.8
326.09702	1.4
513.16083	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	513.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
69.03431	2.4
69.22166	9.5
71.01380	3.7
73.02942	3.8
79.01900	1.4
80.91687	15.2
87.04524	4.9
88.18729	1.3
95.01385	1.6
96.96035	2.7
97.02964	2.6
98.59017	1.3
101.02444	6.9
102.57034	1.5
107.01398	16.1
113.02481	2.1
114.01842	1.3
123.00876	11.2
125.02451	67.3
126.02792	2.2
137.09718	14.7
139.00359	5.3
139.11238	1.5
140.01076	2.2
151.00363	5.1
155.10793	90.3
156.11104	2.4
163.00409	2.0
168.00592	3.4
169.01440	100.0
169.12299	3.8
170.01826	3.6
181.07227	1.8
181.08737	3.6
187.03885	1.8
193.01405	2.7
199.09761	81.9
200.10069	3.3
211.02498	4.3
213.11282	2.8
227.03522	5.2
229.05009	4.9
241.10817	23.2
255.02974	13.4
256.03717	1.4
257.04471	2.1
271.11844	8.8
284.03244	21.0
285.04068	47.2
286.04291	4.1
301.12970	23.8
302.13330	2.3
307.02164	2.8
313.05676	13.1
361.15057	38.3
362.15295	2.1
367.03113	3.4
431.09808	33.0
432.09885	2.7
513.16010	61.1
514.16364	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	513.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06837	0.2
60.39574	0.2
64.42400	0.2
67.01884	0.4
69.03458	1.3
69.17281	1.7
79.01902	0.3
81.03467	0.9
88.73735	0.2
91.75571	0.2
95.01394	0.3
96.14893	0.2
97.02937	1.4
98.22537	0.4
107.01453	0.2
119.26805	0.2
123.47923	0.2
124.01690	0.7
125.02461	56.4
126.02782	1.5
154.90359	0.2
155.10811	0.4
158.29533	0.2
169.01447	100.0
170.01799	3.0
171.01907	0.3
197.40282	0.2
199.09787	0.4
300.02774	0.4
310.28595	0.2
315.05060	0.3
401.81161	0.2
430.50833	0.2
475.58316	0.2
506.99890	0.3
513.16095	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	513.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87669	0.5
59.01383	5.1
61.98818	2.9
69.03439	0.9
69.13113	0.6
69.13430	5.8
71.01390	10.9
72.99297	1.0
73.02944	1.3
79.01894	1.0
80.91685	1.3
83.01380	1.9
85.02979	3.6
85.63036	0.6
87.00880	0.9
89.02454	1.6
95.01398	2.5
95.83471	0.6
97.02942	0.8
98.22588	1.1
99.00835	0.8
99.92642	0.7
101.02464	3.5
107.01398	5.6
111.00900	3.1
113.02462	2.3
123.00905	12.1
124.01686	1.8
125.02459	28.5
126.02774	0.8
127.00396	0.8
136.98807	1.4
139.00365	4.4
140.01181	4.0
141.01900	1.1
150.99536	0.5
151.00403	5.3
153.12828	0.8
161.40738	0.6
168.00609	3.5
169.01440	31.8
196.07321	0.7
196.97572	0.6
199.13409	10.9
200.13693	0.7
291.24411	0.6
300.02805	1.1
301.03186	0.9
302.03452	0.8
303.03851	0.7
315.05109	0.8
316.05569	0.8
317.05667	1.0
343.17697	3.3
351.21692	1.4
361.18695	51.7
362.19199	3.4
400.22714	0.7
431.22797	2.3
450.10135	1.2
453.21133	3.1
495.18887	2.2
513.19824	100.0
514.13147	0.9
514.20270	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	513.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.0
57.03454	26.5
59.01091	1.7
59.01387	33.7
61.98827	3.7
62.21100	1.2
69.03469	1.0
69.90208	1.1
71.01024	2.0
71.01388	18.7
72.99317	1.9
73.02963	7.9
79.01895	1.4
83.01407	4.4
85.02962	4.6
88.96985	1.0
89.02462	8.3
95.01405	3.4
96.96026	2.5
97.02983	1.7
99.04532	32.0
101.02451	17.8
107.01418	4.4
111.00951	1.3
113.02455	7.9
119.03509	4.0
123.00906	14.5
123.04514	3.3
124.01678	2.4
125.02464	29.8
127.00297	1.2
137.09714	3.7
139.00380	2.9
140.01151	3.2
141.01978	1.5
143.03549	2.3
150.06853	4.3
151.00410	7.9
161.04582	5.3
164.08522	1.4
168.00641	4.3
169.01448	15.6
179.05641	2.8
179.10835	2.0
199.13406	11.4
228.66690	1.4
271.02386	1.2
300.02844	4.5
301.03305	1.2
315.05331	2.3
343.17578	3.6
350.20914	1.2
351.21707	5.1
361.18723	48.5
477.10434	3.1
495.19116	6.6
513.19867	100.0
513.26874	6.3
514.20251	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	513.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57006	1.5
52.71349	1.7
52.92675	1.5
57.03455	95.0
59.01384	100.0
61.98826	5.1
68.12978	1.5
71.01392	47.9
72.99321	1.6
73.02950	20.1
80.96529	3.4
81.03460	2.9
83.01395	7.1
85.02961	13.2
87.00874	3.6
89.02448	21.6
95.01402	3.2
97.02949	2.5
99.04527	80.2
100.04898	1.9
101.02457	47.8
113.02457	19.0
113.06131	2.3
117.80211	2.0
119.03510	8.9
123.00896	1.6
123.04519	6.6
125.02456	47.3
126.02791	2.3
131.03479	2.2
137.09732	13.8
139.00391	1.6
140.24196	1.8
143.03552	4.1
143.04614	3.8
149.04501	2.2
150.06879	6.3
151.00401	2.0
161.04558	20.4
166.02432	1.9
169.01457	8.8
171.10271	1.9
179.05698	8.2
179.10829	3.5
183.02892	2.2
196.11713	2.3
255.02977	2.1
263.07800	3.4
271.02597	2.5
300.02713	3.3
301.00024	2.9
301.03387	2.6
323.09744	5.3
351.21902	6.8
361.18707	2.4
370.36249	2.0
434.31967	2.1
441.37180	1.7
469.94067	1.8
513.10736	2.9
513.20020	9.1
513.26984	19.1
529.96539	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	513.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03442	0.3
58.00605	0.4
59.01089	0.4
59.01386	7.2
71.01390	5.0
72.99315	0.3
73.02947	1.1
77.20499	0.2
78.95917	1.1
83.01398	0.7
85.02954	1.3
87.00901	0.6
89.02453	4.1
91.04039	0.2
95.01385	0.5
99.00883	0.2
101.02451	5.4
107.48637	0.2
113.02464	2.1
119.03507	0.9
127.07632	0.3
133.05092	0.3
143.03511	0.4
152.99608	1.8
161.04567	1.9
179.05675	0.7
229.31052	0.3
233.22633	0.3
235.08244	0.9
253.09319	14.8
254.09737	0.4
259.20609	0.6
275.20398	0.3
277.21744	100.0
278.22079	7.1
289.12659	0.2
293.02390	0.2
453.54303	0.2
486.94659	0.2
516.97375	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22532	0.5
57.70593	0.5
59.01379	5.7
64.49532	0.4
71.01382	4.0
71.06250	0.9
72.99281	0.7
73.02923	1.3
78.95890	1.2
85.02948	1.2
86.56020	0.4
87.00905	0.8
89.02438	3.0
101.02460	4.6
113.02467	1.9
119.03487	1.1
131.05042	0.5
152.99579	1.6
157.93176	0.5
161.04526	1.5
163.00978	0.5
179.05624	1.0
235.08063	0.9
253.09291	14.8
254.09724	0.7
277.21741	100.0
278.22113	6.6
318.62485	0.5
321.10907	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	514.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01388	4.4
61.98836	100.0
62.17805	0.9
71.01391	2.1
71.25407	1.3
71.25762	1.2
71.46861	0.9
73.02940	1.1
74.86945	0.9
82.95428	2.2
89.02464	0.9
89.62666	0.9
95.01398	1.5
96.96024	1.7
99.04520	1.8
100.83641	0.8
101.02450	1.6
106.80074	0.8
107.01405	1.2
113.02386	0.9
123.00880	3.5
125.02451	8.2
135.04530	1.2
154.08554	0.8
157.00569	1.6
161.02505	1.1
166.99863	1.3
168.00664	1.2
169.01436	12.0
177.01994	1.0
201.01930	1.6
217.01491	1.8
245.00989	1.8
257.00861	1.1
275.01996	1.9
277.86188	0.9
299.99234	2.2
300.99942	8.3
302.00513	1.4
339.60995	1.0
515.18268	1.1
520.18561	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	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05607	0.2
55.77846	0.2
59.01380	0.6
61.98835	100.0
68.02211	0.2
69.43665	0.7
69.44090	0.7
83.01380	0.2
109.03022	0.2
125.02468	0.8
126.39311	0.2
151.00523	0.2
153.02052	0.3
169.01462	0.3
199.00146	0.4
200.00415	0.2
290.07541	0.2
317.06973	0.2
318.07166	0.3
343.04782	0.2
344.04974	1.1
353.11148	0.2
362.06100	0.2
408.79770	0.2
453.33688	0.5
454.33951	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	515.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95933	2.7
61.98831	26.5
69.15186	2.3
71.01398	4.9
81.53040	2.3
85.13834	2.2
106.01901	2.3
107.01367	5.3
108.02205	11.7
123.00900	6.8
125.02457	53.7
137.02480	5.0
138.01978	97.9
139.00374	4.2
151.00383	5.9
151.04024	3.6
159.14215	2.5
168.00642	3.6
169.01440	71.5
313.05707	66.1
314.05884	3.3
452.08350	100.0
453.08875	8.3
464.83182	2.6
515.17487	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	515.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55094	1.2
51.54715	1.5
52.22515	1.5
59.01381	8.2
71.00608	1.9
71.01378	4.2
80.91692	5.5
83.01392	2.3
85.02959	2.2
89.02447	3.1
91.01917	1.6
97.02893	1.3
101.02470	2.5
107.01389	5.0
108.02182	1.9
109.02963	4.0
113.02480	2.1
121.02982	3.9
125.02458	13.6
137.02441	4.3
139.00441	2.3
139.04085	1.9
149.02411	2.5
151.00363	16.9
161.02402	1.9
163.00403	5.3
168.00655	1.8
169.01485	7.2
169.08679	3.1
178.99886	6.8
183.03058	2.6
211.04062	2.3
226.02667	1.7
227.03523	3.5
229.05127	2.0
243.02985	8.1
245.04718	3.4
255.03036	28.5
256.03574	1.9
271.02512	52.3
272.02875	3.5
283.02625	1.8
299.01392	1.5
300.02780	81.9
301.03552	76.4
302.03790	5.7
303.08798	3.9
311.00433	5.4
312.00867	1.5
323.01627	1.9
325.02029	2.0
335.11313	34.2
336.12039	1.7
341.01526	9.3
353.01572	3.7
355.02780	2.0
359.54733	1.6
382.01752	3.7
382.95102	2.0
383.02652	30.5
433.07788	100.0
434.08270	9.0
445.39560	2.0
455.04770	2.8
515.06372	2.9
515.17755	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	515.1195
Annotation	Kaempferol 3-(3'',4''-diacetylrhamnoside)
Peak:m/z	Relative Intensity
61.98826	1.2
63.82572	0.9
69.28960	7.2
83.01362	0.9
85.29285	1.0
85.36308	0.9
87.68674	0.9
93.34766	1.0
93.87419	0.9
107.01387	1.5
125.02469	2.5
135.00838	1.3
151.00394	1.8
156.14879	0.9
159.54134	1.0
163.00311	1.5
169.01436	3.5
178.99875	2.0
183.04515	4.2
187.82736	1.1
211.03957	2.7
227.03523	81.1
228.03899	3.8
229.05080	3.2
241.01402	2.3
241.05125	1.4
245.00946	1.4
255.03012	100.0
256.03589	12.0
257.04449	2.2
270.01880	1.9
284.03302	89.8
285.04007	39.9
286.04361	2.1
329.11090	1.1
382.11890	1.2
496.34457	1.2
497.35272	1.1
515.12042	63.3
516.12378	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	515.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57702	1.0
57.03454	10.4
58.30311	0.9
59.01382	19.5
69.03443	1.3
69.07909	6.8
69.08315	1.9
72.71715	0.8
73.02966	1.3
81.03471	2.5
83.01382	6.1
89.03389	0.9
93.03494	1.4
95.05009	1.4
97.02955	2.5
103.21673	0.8
109.02953	10.0
111.00922	2.2
117.03490	1.3
121.02969	1.4
123.04541	3.5
125.02460	80.5
126.02824	1.3
135.04520	2.1
137.02455	47.3
138.02734	1.0
139.04057	1.2
139.11302	18.5
145.02966	15.7
146.03706	2.9
146.26024	0.8
149.02451	6.2
151.04004	3.1
159.04547	9.9
161.02461	2.9
161.06136	5.9
163.11208	1.1
163.39514	0.9
164.01221	1.0
165.01944	1.2
165.09253	1.0
175.03973	1.5
176.04868	0.9
179.03519	1.0
181.12361	7.6
183.04556	2.0
183.10277	20.2
185.06114	7.3
187.03981	4.8
188.04710	1.2
199.13382	4.0
201.05592	4.8
202.06406	1.2
203.07129	9.8
205.05016	2.0
209.06027	2.6
211.04030	1.6
215.80704	0.9
221.08307	1.1
225.05577	1.8
225.11273	6.0
227.03496	0.9
227.07018	4.6
228.03998	0.9
229.05002	2.7
230.02177	2.7
235.16861	1.0
243.12375	100.0
244.12633	4.5
245.08235	7.3
253.05072	14.1
271.06131	47.3
272.06451	2.4
289.07202	32.4
290.07587	2.1
305.14072	2.0
305.53082	0.9
353.10349	2.4
365.16153	11.6
367.18964	1.3
369.17023	2.2
377.16095	10.2
411.18250	3.6
453.19180	1.4
455.17102	1.4
471.20288	5.7
497.17828	1.3
515.19318	28.3
515.26642	1.0
516.19543	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	515.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81586	0.5
59.01378	5.4
60.99306	1.4
61.98842	2.7
65.80590	0.6
66.27050	0.6
71.01382	5.1
71.25920	0.5
71.26315	0.7
72.99285	1.1
73.02966	0.7
78.78831	0.5
78.95912	1.5
85.02962	2.2
87.00885	3.8
88.98811	7.9
89.02456	6.7
91.10645	0.5
93.03477	1.1
93.15202	0.5
95.31180	0.5
96.96030	0.6
96.96977	2.0
101.02468	2.1
103.91995	0.6
107.01359	0.5
109.02940	0.6
111.00900	4.7
113.02474	2.4
114.05629	1.1
119.03513	1.6
125.02486	4.6
126.94444	0.8
129.01959	0.6
131.08276	100.0
132.08676	1.2
133.01466	1.9
137.02519	1.2
142.49664	0.5
156.07806	5.2
169.01443	4.3
172.89987	1.6
172.97012	0.6
173.04602	2.1
173.10452	75.6
174.10794	2.1
179.05667	3.7
191.02014	5.1
224.96509	0.7
268.95633	1.1
302.90829	1.4
313.05652	0.9
340.94266	0.6
341.10895	10.3
341.14636	0.9
425.06854	3.0
426.07993	0.7
453.10397	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	515.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	84.2
59.01384	100.0
59.54037	1.4
61.98816	3.1
63.57104	1.4
70.29858	3.3
70.30241	3.2
71.01390	25.4
73.02937	6.6
78.95913	2.7
81.03461	2.5
83.01387	6.5
84.47440	1.8
85.02944	13.2
89.02453	4.3
95.01396	2.4
96.95994	5.5
96.96974	4.4
97.02937	1.7
98.22058	2.8
99.00891	3.2
99.04530	79.2
101.02452	29.2
113.02441	9.0
123.00849	1.8
125.02460	40.5
125.55081	1.4
143.03537	2.5
161.04572	11.7
169.01457	7.5
209.15471	4.4
209.38461	1.7
256.06537	1.7
300.99863	3.3
337.19107	1.5
371.20734	18.1
402.18353	1.7
413.21808	4.5
460.53476	1.6
515.24921	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	516.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54254	2.3
59.01372	2.5
69.49998	12.0
86.09853	2.4
90.03499	3.7
92.05064	24.6
95.56554	2.6
96.96027	14.0
98.22310	4.6
99.92595	80.3
109.93395	3.7
115.92062	11.4
116.05106	3.5
116.92791	3.1
118.89958	12.9
125.92904	7.5
135.90269	8.9
136.04066	13.4
157.91818	3.9
162.02037	2.7
174.97327	20.6
184.07800	3.1
190.96802	16.2
192.98341	3.9
203.95212	4.6
217.95587	12.1
218.96297	77.2
219.96611	7.3
220.97778	5.6
255.02956	6.8
271.02390	12.5
299.99069	8.6
300.02762	17.4
300.99802	5.5
301.03510	4.1
367.12366	3.1
397.14029	7.7
418.02570	3.3
430.02954	3.4
448.95230	2.6
462.05280	36.9
463.05429	5.2
480.06317	100.0
481.06561	13.1
516.03955	27.2
517.10193	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	516.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65243	2.0
61.98817	8.8
71.01379	2.4
71.16141	1.8
77.00394	1.9
99.16525	1.8
103.21257	1.9
107.01379	4.1
111.00954	2.2
123.00896	12.5
124.01680	13.3
125.02453	30.8
128.74141	1.8
139.00371	3.3
139.04066	5.4
140.01183	1.9
151.00395	4.2
160.01659	5.5
168.00668	6.3
169.01456	38.8
175.03998	7.8
181.15033	2.2
183.03061	2.8
193.05174	2.1
300.99805	2.1
313.05786	4.6
374.87506	2.3
435.28952	1.9
453.10410	100.0
454.10913	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	516.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92442	2.0
57.03440	2.0
59.01366	2.4
61.98832	7.3
62.10117	2.2
69.14915	18.0
69.37693	1.7
71.01397	3.0
83.01412	2.5
86.57303	1.9
95.01398	2.4
98.22580	3.7
107.01392	4.8
108.63920	2.4
109.03019	2.1
111.00894	2.6
112.93954	2.0
123.00912	11.2
124.01659	16.6
125.02466	46.6
126.25845	2.0
132.02142	3.1
133.80780	2.0
137.02467	3.1
139.00423	4.9
139.04002	5.5
140.01167	3.3
151.00443	5.7
151.03969	3.0
160.01701	12.1
164.20761	2.0
164.77866	2.2
168.00629	4.7
169.01459	41.5
170.01682	1.9
175.04008	20.6
177.01926	2.2
183.02988	2.1
193.05048	3.5
289.07098	2.5
313.05737	7.7
453.04031	4.8
453.10443	100.0
454.10663	7.8
517.15802	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	517.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01431	0.6
66.20703	0.2
68.49553	0.2
69.18681	1.2
69.19091	0.4
78.29040	0.2
95.19089	0.2
108.02249	0.3
109.02959	0.2
113.56483	0.2
124.01731	0.2
125.02474	0.3
132.02271	0.7
136.01724	0.3
144.02234	0.5
145.03079	0.5
147.00876	0.3
148.01779	0.2
151.00456	0.6
160.01662	1.2
163.00522	0.2
164.01270	0.3
172.01674	1.7
173.02327	0.3
176.01230	0.6
185.02509	0.9
187.00557	0.3
188.01180	1.0
200.01144	2.9
201.01924	0.4
215.03645	0.3
216.00633	4.3
216.02524	0.3
226.99968	0.8
227.03442	0.2
228.00580	1.0
229.01433	0.9
242.99335	2.1
243.03065	0.8
244.00093	2.8
245.00922	0.5
254.99216	0.3
255.00211	0.3
255.03003	2.3
257.00916	0.6
270.98993	1.3
271.02548	4.9
271.99661	1.2
272.02707	0.4
282.98895	0.9
283.99683	0.8
285.00467	0.3
298.98306	1.4
299.99170	100.0
300.02716	7.7
300.99881	29.5
301.03381	1.7
302.00134	1.3
457.04153	0.7
475.09158	0.6
517.06122	41.3
518.06512	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	517.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34726	0.7
59.01396	1.2
60.14172	0.8
69.43253	3.2
69.43665	2.0
78.83342	0.8
85.02968	0.8
93.03432	0.8
99.00896	1.4
105.03484	1.3
105.07104	1.0
107.05058	2.2
109.03005	0.8
111.00903	1.4
117.03479	1.2
119.05061	2.8
121.03015	1.8
121.06597	3.3
123.04541	1.5
124.01661	0.9
125.02468	1.0
133.06601	8.0
135.04590	3.9
137.02480	2.6
137.21977	0.7
138.03317	0.9
143.05069	1.3
145.02943	4.0
146.03654	1.0
148.24086	0.8
149.02448	4.9
149.06105	3.4
151.04031	9.4
153.81058	0.8
154.57472	0.8
159.04558	6.0
160.05435	0.7
161.06093	12.9
162.03253	3.0
162.06401	1.0
163.04012	22.7
164.01117	0.9
164.04518	1.0
165.01912	2.6
167.49292	0.7
169.01442	0.9
175.03981	1.9
177.01854	1.0
177.05568	7.8
179.07149	2.3
187.04028	9.9
189.01971	0.9
190.02776	7.0
191.03505	2.4
193.01419	24.0
194.01883	1.0
203.03508	5.0
204.04295	1.0
205.05064	36.2
206.05472	2.0
219.03090	1.1
221.04573	1.1
223.06274	1.0
231.03058	2.8
233.00980	1.4
237.00420	2.5
249.04053	24.4
250.04349	1.3
275.02039	2.3
291.01431	1.1
293.03030	6.5
337.02023	100.0
338.02368	7.6
339.03766	0.9
398.55774	1.0
411.09009	1.1
499.07416	5.1
517.08405	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	517.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01378	5.3
71.01426	1.8
71.27290	2.4
71.27666	3.1
83.01347	2.2
94.75440	2.0
99.04585	2.3
121.02934	3.0
148.01720	2.0
151.00424	5.1
178.99870	4.9
214.99432	2.2
227.03464	4.3
243.02969	11.0
255.02983	26.6
258.85709	2.2
271.02493	50.2
272.02689	4.3
299.02271	2.5
300.02783	100.0
301.03384	17.8
401.08524	2.3
475.08432	4.5
517.09924	38.2
517.30304	5.5
518.10620	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	517.0992
Annotation	Herbacetin 8-(2'',3''-diacetylxyloside)
Peak:m/z	Relative Intensity
59.01376	0.3
63.02401	0.5
65.00314	0.9
68.97387	1.9
71.24570	0.2
73.65053	0.2
83.01379	0.5
91.01910	0.4
93.03460	0.3
107.01405	2.2
108.02187	1.9
109.02973	1.3
121.02941	1.0
124.01623	0.2
125.02427	0.2
135.00894	0.9
139.04056	0.2
145.02972	0.2
147.00989	0.2
148.01686	1.8
151.00380	6.2
159.04552	0.2
162.72000	0.2
163.00389	1.9
164.01138	0.7
165.01938	0.2
169.01489	0.2
171.04558	0.3
178.99890	4.1
182.59769	0.2
183.04549	0.4
187.04039	0.6
190.99951	0.2
192.00748	0.4
198.03160	0.3
199.03949	1.1
201.01920	0.5
201.05507	0.2
203.03508	0.3
211.03970	0.9
213.98495	0.2
215.03520	1.2
216.04312	0.5
226.02698	1.3
227.03545	3.5
228.04146	0.3
229.01408	0.3
229.04967	0.4
242.02361	0.2
243.03003	11.5
244.03464	0.9
245.04497	0.7
254.02216	2.1
255.03003	28.5
256.03369	1.4
271.02499	57.8
272.02951	4.6
273.03995	0.6
283.02377	0.7
299.02051	1.4
300.02768	100.0
301.03448	21.8
302.03870	1.0
329.06802	0.2
457.07690	1.0
475.08807	7.7
476.09039	0.7
499.09070	0.2
517.09900	34.9
518.10248	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	517.0996
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
59.01379	1.5
70.20628	2.6
71.01394	2.0
73.02990	0.7
78.69753	0.6
79.16013	0.6
83.01395	1.6
85.02965	1.5
87.00874	0.9
95.01395	1.1
96.96021	2.0
98.95622	1.7
99.92603	1.0
100.91768	0.7
101.02433	1.4
101.03931	1.0
107.01394	5.2
108.17760	0.7
111.00900	3.1
113.02481	1.2
123.00925	6.5
124.01658	0.7
125.02462	29.0
127.00432	1.2
133.02963	2.2
134.03757	2.7
135.04530	9.6
136.98842	1.5
139.00395	5.1
140.01189	4.5
143.04597	0.8
145.02959	2.4
147.04544	3.4
151.00391	6.8
157.02953	1.6
158.03740	20.4
159.04536	11.0
161.02478	7.6
168.00682	6.7
169.01447	50.7
170.01797	2.0
173.02463	1.2
173.06007	0.7
175.04015	1.7
178.02690	1.2
179.03523	10.0
185.02425	0.7
193.05090	1.7
193.98595	7.9
194.99356	2.5
200.71687	0.7
201.01978	1.1
201.05536	1.1
202.02736	40.6
203.03282	2.1
211.02480	5.7
213.05597	2.7
241.03529	3.9
255.02965	1.0
271.04602	6.0
297.06253	3.8
301.05609	1.5
306.07761	1.4
313.05664	11.4
318.13031	0.8
323.07758	2.4
365.08783	1.7
454.40173	0.8
473.10931	100.0
474.11322	9.1
499.08691	1.9
517.01733	1.8
517.09790	43.5
518.10162	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	517.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49654	33.8
57.46566	35.2
84.82701	34.2
144.60233	36.4
159.50098	35.1
160.03185	37.2
175.04965	35.0
271.02496	50.9
300.02713	100.0
301.03638	41.5
481.27515	45.2
506.82336	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13921	10.4
63.61436	10.2
69.00837	22.9
69.01236	100.0
98.22636	11.1
130.89413	11.9
161.02466	15.3
255.03038	24.7
271.02490	44.8
300.02664	60.7
319.22797	72.4
345.98691	14.3
348.29706	11.9
365.42303	11.9
517.25891	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29764	15.3
59.14812	14.8
63.28136	17.7
63.93856	14.7
65.49249	17.2
67.58596	16.6
67.99874	17.6
96.12079	15.0
144.87122	18.8
160.00591	17.1
200.09042	16.7
226.35640	17.8
229.37277	20.7
271.02576	32.2
300.02792	56.4
319.22842	100.0
426.53748	18.7
517.09509	39.4
517.17450	24.3
517.25641	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.00587	1.0
58.03793	1.3
59.01385	77.9
61.98845	5.7
69.03456	1.3
69.14977	8.5
71.01390	27.0
72.99305	1.7
73.02956	14.5
81.03466	1.5
83.01390	6.7
83.77908	1.2
85.02959	4.5
87.00894	2.0
89.02455	15.6
95.01382	1.8
97.06637	1.3
98.22164	4.8
99.00803	1.2
99.04530	79.2
100.04868	1.4
100.78030	1.1
101.02454	41.0
101.03125	2.6
107.01395	1.9
113.02460	10.5
113.06096	2.1
119.03506	5.8
123.00858	1.1
123.04540	8.4
125.02461	31.7
126.02872	1.3
131.03545	1.5
139.12463	1.2
141.05586	1.9
143.03487	5.1
149.04564	2.5
161.04594	7.6
169.01430	8.5
179.05598	3.9
190.05344	1.1
192.96426	2.6
246.66365	1.2
271.02524	2.0
275.01959	2.5
276.02286	1.2
299.99100	2.0
300.02838	3.1
300.99829	4.1
306.07739	1.9
373.22128	2.5
517.19257	2.3
517.26740	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	518.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65239	3.7
59.01384	14.4
71.01394	5.0
89.02457	5.4
95.69080	3.4
98.21770	11.6
100.04048	12.6
123.00904	8.2
125.02465	11.8
142.05086	13.7
151.00360	10.0
164.67241	3.8
169.01422	35.8
195.68486	3.4
195.82635	3.6
211.02451	8.5
242.69089	3.7
271.04608	6.6
331.06714	100.0
368.65350	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	518.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	37.2
61.98839	39.8
71.01411	6.4
71.27469	9.8
73.02924	8.4
83.01719	5.2
89.02431	7.0
101.02440	8.9
108.69512	5.8
125.02474	62.5
131.03491	6.4
143.03508	6.9
163.06084	6.4
169.01430	100.0
205.07173	9.5
271.04694	7.3
331.06708	11.6
379.72647	6.0
440.32614	6.8
455.17743	84.5
456.17798	8.0
483.07672	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44791	1.3
70.45126	2.2
73.24638	0.9
74.54814	0.9
78.43915	0.9
78.95911	47.4
90.40781	1.0
94.31161	1.0
96.96986	5.5
117.25833	1.1
142.72900	0.9
150.98064	1.1
152.99599	100.0
171.00677	3.0
233.26932	0.9
284.73560	1.2
301.03281	0.9
431.22061	18.4
432.22360	2.4
518.24927	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	519.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76936	28.9
69.95306	5.5
72.99318	7.2
78.95891	5.9
88.98825	17.3
94.17530	5.5
96.96977	7.0
111.00909	8.4
125.02447	70.7
126.94440	5.9
133.01451	7.9
169.01460	100.0
211.02400	6.4
232.81284	7.5
329.00681	7.0
331.06540	11.5
483.07858	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94637	11.4
61.97298	10.6
78.10030	13.7
98.22567	49.8
98.35783	14.5
102.12076	12.0
125.02506	67.1
151.04004	27.6
169.01439	100.0
207.20377	12.5
229.27034	15.8
259.97891	12.3
271.04663	22.6
303.04999	34.5
483.08041	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78435	2.6
59.01381	2.6
73.56721	2.7
82.34531	2.9
85.02964	4.0
91.18807	2.9
107.01404	7.8
118.96500	3.0
123.00877	3.9
125.02467	65.9
167.65620	2.8
169.01437	100.0
211.02531	4.6
229.11815	4.3
313.05542	4.6
331.06873	8.2
483.07828	75.1
484.08258	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	519.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46756	4.8
59.02540	4.5
60.30426	5.3
70.17615	13.3
85.02953	8.1
98.21801	4.8
107.01397	8.7
113.02431	6.0
120.05626	4.4
125.02457	85.8
131.98878	4.7
138.36603	4.8
138.73819	4.6
163.00476	5.7
169.01430	100.0
171.51674	4.8
214.00848	4.6
283.40344	4.7
331.06598	10.8
483.07852	96.8
484.08423	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	519.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89157	6.0
69.15503	34.7
69.15920	17.6
98.22577	11.9
107.01371	11.1
107.97867	6.5
124.01772	8.2
125.02448	67.1
126.65987	7.1
137.02412	6.4
139.00414	6.8
150.23558	6.3
165.01889	6.8
168.00652	8.5
169.01453	76.6
193.01537	12.9
195.06621	8.9
204.41936	6.1
211.02505	32.2
271.04654	26.4
274.17438	6.9
348.56802	5.8
423.05688	18.6
464.67123	7.0
483.07861	100.0
484.08017	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	519.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87707	5.6
57.07059	5.9
64.14072	5.7
71.28087	6.1
85.02971	9.2
107.01366	8.3
107.23098	5.9
120.89535	5.5
121.02997	7.2
123.00903	10.0
125.02437	62.9
145.63806	5.3
147.12450	6.2
151.03970	18.2
153.01973	12.7
165.01854	8.6
168.00571	7.2
169.01434	97.5
193.05054	7.2
211.02466	24.0
247.02412	6.2
271.04431	12.1
301.43018	5.6
303.05145	18.9
313.05695	11.7
323.59598	6.2
423.06107	8.3
432.67468	7.2
457.07584	8.8
483.07706	100.0
484.08472	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	519.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
69.96648	1.9
105.54128	0.5
118.86884	0.5
124.77555	0.5
125.02447	1.5
169.01442	1.0
170.91359	0.6
172.01701	0.5
172.85596	0.5
198.14737	0.5
200.01219	0.6
216.00612	0.6
218.44566	0.6
242.99339	3.0
244.00177	1.2
270.98868	21.3
271.01935	1.0
271.99286	1.3
297.97626	1.1
298.98364	24.0
299.99124	100.0
300.99548	6.2
314.00687	9.8
315.01492	73.9
316.01877	3.8
365.54739	0.6
445.03958	0.6
459.05850	2.5
475.11716	1.0
519.07825	60.1
520.08118	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	519.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98856	1.0
69.15346	4.8
69.15759	2.3
93.99430	0.8
100.35618	0.9
100.89993	0.9
101.94019	1.0
125.02457	1.4
151.04092	1.5
158.00011	0.9
158.74481	0.9
163.63083	0.8
169.01479	1.1
173.99638	2.9
180.59338	0.8
187.00371	1.3
201.99078	4.8
213.99141	2.4
214.99959	1.6
229.98518	8.2
241.98682	1.4
242.99261	2.4
256.97260	1.9
257.98062	6.9
269.98035	2.2
270.98871	3.1
271.02414	1.7
271.99615	0.8
284.96783	7.4
285.00061	1.8
285.97601	16.4
298.98480	2.3
299.01968	1.1
299.99176	3.8
300.02625	1.3
301.00055	1.4
301.03348	0.9
311.95505	2.0
312.96326	12.9
313.97064	19.9
314.00635	1.0
314.97739	3.2
326.97604	1.7
327.98645	9.5
328.99426	5.2
341.96542	12.7
342.97278	16.9
343.00919	1.9
343.97739	1.3
355.98102	3.2
356.98914	65.0
357.99292	5.5
371.00558	3.6
372.01215	14.1
373.01935	3.2
475.05347	0.9
489.03165	25.4
490.03406	1.8
504.05521	28.6
505.05887	3.3
519.07843	100.0
520.08221	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	519.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
60.57266	0.3
65.84732	0.4
76.84377	0.6
85.02930	0.8
96.96029	0.8
97.43931	0.4
121.18436	0.3
124.15533	0.3
125.02426	0.6
169.01393	1.0
191.02032	0.5
192.02927	0.5
200.01100	0.6
216.00601	0.7
242.99373	2.0
244.00096	0.9
262.10889	1.5
270.98856	14.1
271.99307	0.9
283.99594	0.4
297.97589	0.7
298.98364	17.8
299.99118	100.0
300.99536	6.1
312.99939	1.2
314.00671	7.2
315.01477	75.9
316.01825	4.7
406.11093	0.4
419.81790	0.4
459.05515	2.6
477.06854	1.2
519.07837	35.8
520.08105	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	519.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55510	12.8
98.22618	30.6
105.52993	11.5
125.02448	82.0
144.50188	12.6
151.00301	15.3
169.01476	100.0
182.84439	12.3
192.23683	17.3
229.20750	12.3
437.73087	16.4
483.11539	85.2
484.11578	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	519.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
65.00352	0.4
69.25344	0.9
69.25770	1.3
88.92038	0.3
94.44247	0.3
107.01408	0.5
108.02187	0.8
108.10394	0.3
119.80485	0.4
127.97376	0.3
135.04564	0.6
148.01697	0.7
148.05336	1.8
151.00377	2.7
160.88550	0.3
161.02457	0.4
163.00410	0.4
177.06691	1.0
178.05122	0.7
178.99899	0.4
183.04469	0.8
184.28302	0.3
184.77527	0.3
186.03174	0.4
187.04097	0.4
190.05063	0.5
199.04041	1.8
203.03519	0.4
211.03990	0.5
214.02788	0.9
215.03493	0.6
216.04271	0.4
226.02745	0.7
227.03563	2.6
241.01460	1.0
242.02281	3.0
243.02988	9.0
244.03685	0.8
245.00903	0.9
254.02190	1.6
255.03015	20.0
256.03452	1.1
270.01724	3.3
271.02509	41.7
272.03021	3.9
285.03955	0.5
297.09982	0.5
298.01102	1.5
299.02011	13.4
300.02786	100.0
301.03156	6.5
308.36575	0.3
311.14017	0.9
312.12411	3.4
313.03683	1.5
314.04309	2.1
315.05139	89.9
316.05493	5.9
337.11865	0.6
349.11942	0.6
357.06226	1.7
431.19748	1.5
444.07202	2.1
459.09378	24.4
460.09866	2.1
477.10468	7.7
489.20523	0.7
504.08936	1.4
519.11383	17.6
519.21075	2.9
520.11591	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	519.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01379	2.1
61.98820	3.8
67.20036	0.8
71.01369	1.0
71.26973	1.3
79.28059	0.7
88.78478	0.9
111.00859	2.6
116.64204	0.8
120.52833	0.9
123.98899	0.8
125.02466	4.0
139.00401	6.3
140.01172	80.8
141.01633	1.6
148.46524	0.9
153.01944	1.9
154.02716	1.1
155.03516	100.0
156.03848	2.3
161.02480	1.8
167.03467	1.1
169.01424	3.1
179.03552	0.9
183.10298	2.2
188.24330	0.8
193.05020	2.4
271.02295	1.5
299.07642	2.3
300.02689	1.1
301.00024	0.9
316.02271	1.4
317.08783	1.9
483.18777	30.3
483.25488	2.0
484.19104	2.0
519.11188	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	519.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25704	0.9
51.41561	0.9
55.49899	0.9
58.02971	2.9
59.01386	2.5
59.66451	1.0
61.98830	2.2
71.01367	2.1
74.02477	4.0
76.10220	1.0
81.28496	0.9
86.02500	2.4
87.05631	1.1
89.02461	1.4
90.01372	0.8
95.01374	0.9
98.21768	1.4
99.05645	4.3
101.02445	2.3
111.00902	2.4
111.98637	1.1
125.02469	1.2
128.03561	11.5
139.00394	5.0
140.01173	73.9
141.01587	1.2
141.02544	2.3
142.02408	1.1
142.03302	6.3
143.04625	16.9
146.04640	1.8
153.66014	0.9
154.02727	0.9
155.03519	100.0
156.03871	3.3
166.09795	0.9
169.01506	2.7
173.35463	0.8
179.03207	0.8
179.04622	4.3
183.10269	1.7
210.08865	3.2
217.05705	2.0
246.09569	21.6
247.09787	1.1
254.07841	8.3
272.08936	17.5
298.98450	1.5
299.07645	2.4
299.92212	0.9
299.98883	1.5
300.99911	1.9
317.08789	1.8
375.63513	1.1
483.18790	31.0
484.19153	2.7
500.66763	1.0
501.18057	2.0
519.19275	3.9
519.31824	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	519.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57076	0.3
59.01373	3.7
59.55840	0.6
65.00311	0.5
69.03463	0.6
70.31290	0.9
71.01392	2.2
72.99303	0.8
83.01374	0.9
85.02959	0.6
87.00873	0.4
89.02439	1.0
95.01389	0.7
98.02455	0.8
101.02460	0.8
107.01392	3.7
111.00906	2.2
113.02435	0.5
119.03476	0.4
121.02988	0.8
123.00869	2.3
124.01704	1.6
124.55647	0.4
125.02463	24.8
127.00379	0.7
134.03711	1.0
136.01672	0.8
136.98784	1.3
137.02428	1.0
139.00392	2.2
139.04042	0.8
140.01173	3.3
141.01878	0.4
149.06093	0.4
151.00343	3.0
151.04050	0.9
151.07663	0.6
154.06190	0.6
161.02528	0.7
163.00414	0.4
165.01941	0.9
167.03522	1.3
167.27660	0.4
168.00659	13.6
169.01442	31.5
170.01761	0.8
178.02719	0.8
179.03505	0.4
187.11223	0.4
193.01466	0.3
193.05095	3.8
195.06691	0.8
196.16890	0.4
211.02501	58.9
212.02867	1.9
241.03506	1.7
243.03056	0.7
255.03070	1.9
271.04642	100.0
272.05048	3.8
300.02753	5.9
301.03537	5.7
331.06744	13.7
332.07190	0.7
342.10962	0.5
357.13510	1.3
424.40427	0.3
447.09366	7.0
448.09653	0.7
519.18805	11.5
520.18958	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	519.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70844	0.6
58.80500	0.5
59.01392	1.6
69.93184	2.2
71.01379	2.9
74.67704	0.7
85.02959	1.7
93.03461	0.7
95.01418	0.9
98.21848	0.8
98.22378	1.2
101.02444	1.4
108.02196	1.9
113.02440	1.2
114.96989	0.6
121.02967	6.5
122.03757	2.9
124.01610	0.9
125.02443	1.5
134.03770	0.8
136.01675	77.5
137.02348	2.2
142.16437	0.7
146.92181	0.6
151.04024	100.0
152.03290	0.7
152.04320	3.6
152.84929	0.6
154.02782	0.9
159.04529	1.1
160.05301	1.0
161.02477	0.9
161.04587	1.9
162.03181	0.9
163.03992	1.0
169.01477	1.6
175.07695	1.2
177.05577	1.4
179.03540	0.9
261.46469	0.7
262.10864	1.1
270.98892	7.8
271.02084	0.9
283.99701	1.0
285.00500	2.1
286.01147	1.2
298.98343	9.1
299.99112	7.8
300.02844	1.6
300.99985	0.8
301.03488	1.5
311.12781	0.7
312.99896	3.1
314.00708	7.7
315.01498	5.9
333.65955	0.7
342.11090	4.0
357.13458	93.2
358.13770	8.2
447.09241	1.1
519.07843	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	519.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.8
58.02975	15.7
61.98836	1.2
66.03474	2.4
68.29018	1.0
69.07068	1.8
69.07476	6.7
70.02956	0.9
71.01373	1.4
72.00903	1.1
74.02057	1.5
74.02480	30.3
81.04576	2.3
82.02985	3.7
84.00919	0.8
84.04542	1.8
84.55054	0.8
85.04069	1.2
86.02487	11.8
86.06127	1.3
87.05647	6.7
88.04057	1.4
93.04540	1.0
94.06647	1.8
95.02562	1.0
96.04544	1.1
96.99925	5.6
97.04090	4.2
98.21830	2.0
98.22502	2.1
99.05650	26.1
101.07213	5.4
102.05612	4.8
107.06165	2.4
109.04083	6.4
109.07715	0.9
111.05669	2.3
112.04054	4.3
123.05663	3.0
124.04067	1.8
125.03651	2.4
126.02917	1.3
126.03842	20.2
127.04282	1.0
127.05160	4.4
128.03558	77.2
129.03879	1.7
134.68211	0.9
135.05673	11.4
135.12996	0.7
137.07268	1.6
139.05121	1.2
139.24249	0.8
141.06755	4.9
143.04634	100.0
144.05067	1.1
145.06197	3.3
146.04604	10.8
149.07181	1.6
153.06696	6.6
155.08258	1.4
166.09825	4.8
167.04672	5.5
167.08286	6.9
169.01376	1.3
170.03300	2.1
171.04158	2.6
174.75998	0.9
179.04637	27.3
181.06198	2.8
183.20387	0.7
184.10939	1.6
185.05730	3.9
192.07822	3.0
197.05656	6.0
210.08858	26.9
228.09943	3.7
246.09593	7.9
254.07858	43.8
255.08095	1.3
272.08902	65.7
273.09128	2.9
299.99216	1.7
315.01337	1.0
354.97052	1.0
355.98044	1.7
390.15060	9.1
501.18332	8.9
502.18631	1.3
519.03735	2.3
519.06049	2.1
519.19269	60.2
520.19586	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	519.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	18.1
59.01389	20.4
66.03474	3.0
66.84087	3.1
68.98876	37.8
71.01379	5.0
74.02470	32.1
76.45538	3.1
82.03001	3.8
86.02488	11.4
86.06116	3.8
87.05636	6.6
96.99931	6.2
99.05655	25.6
102.05620	5.5
102.53912	3.6
109.04052	5.9
111.05621	3.5
112.04052	3.7
116.05907	3.3
123.05668	6.5
124.07642	3.5
125.03561	7.9
126.03858	20.4
127.05085	4.4
128.03545	76.1
129.03882	3.7
135.05624	7.8
135.45985	2.9
139.01486	3.0
140.01189	7.3
141.06772	5.0
143.04631	100.0
145.06175	8.0
146.04599	9.6
153.06723	6.6
155.03546	11.8
166.09911	4.2
167.04628	3.8
167.08235	4.7
169.01472	5.9
179.04630	35.0
185.05667	6.6
194.96085	3.9
197.05734	7.9
210.08879	27.4
228.09981	4.1
246.09627	11.1
254.07835	36.7
272.08884	69.3
299.99121	4.4
390.14871	9.6
467.36121	3.8
501.17822	8.6
519.08008	3.5
519.11505	5.6
519.19147	68.9
520.19342	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	519.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	19.1
61.98827	2.2
65.00314	3.4
67.01904	2.1
68.22324	1.5
70.59277	3.5
70.59598	1.9
78.12209	1.7
81.03461	28.0
83.01405	9.7
83.05022	8.1
85.02945	3.1
86.11896	1.7
97.06577	2.3
107.05022	3.7
109.02957	4.9
123.08149	1.7
125.02457	100.0
145.07495	1.8
151.04013	5.0
153.01926	7.2
177.01947	2.0
239.20107	3.1
263.20187	2.0
279.23184	2.7
281.21100	2.2
301.03339	2.9
302.03299	2.8
305.21292	4.3
307.22739	3.4
349.23776	8.5
365.23328	8.1
375.21857	10.8
391.24890	7.2
393.22845	59.8
394.23038	8.1
415.24686	2.4
417.23013	2.1
457.25922	9.0
475.26917	7.9
501.25082	12.9
519.26099	28.5
520.26062	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	519.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06063	0.4
57.03455	0.9
59.01385	100.0
60.01718	0.7
61.98848	0.7
69.08461	0.9
69.08862	2.8
70.99024	0.4
71.01389	6.7
71.01761	0.7
73.02948	1.8
83.01423	1.0
85.02958	2.6
87.00919	0.6
87.04558	0.5
89.02444	2.8
95.01384	0.8
97.03033	0.5
99.00909	1.0
101.02448	5.2
101.06145	0.7
113.02453	3.1
119.03534	0.6
125.02526	0.6
161.04559	1.7
179.05754	0.7
233.19742	0.4
297.20859	0.7
299.99307	0.8
300.99753	0.6
301.99860	0.6
355.06958	0.4
357.26602	0.6
375.27853	1.3
399.23935	8.4
400.24536	0.6
417.25003	9.9
417.30322	0.6
418.25684	1.0
459.26105	1.8
519.24731	0.6
519.31671	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	519.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72293	0.9
55.01870	1.0
59.01386	12.9
60.50175	0.9
61.98838	1.6
64.08630	1.1
65.42788	1.0
71.01389	10.5
73.02950	1.5
83.01376	1.3
85.02969	3.4
89.02449	4.9
95.01414	1.2
101.02460	5.0
113.02467	4.1
119.03479	2.2
125.02468	3.8
127.69953	1.0
148.05348	2.2
169.01471	3.3
185.11789	1.9
239.02150	1.0
271.02411	2.0
272.02905	1.7
273.03067	1.4
300.02728	2.0
301.03073	2.8
302.00015	1.7
302.03360	5.7
309.24347	2.3
327.25446	8.2
339.25464	6.5
345.41693	1.0
357.26480	18.1
358.26730	1.4
459.12961	1.6
489.30359	2.4
519.09039	2.1
519.16553	4.7
519.31781	100.0
520.07361	1.1
520.32129	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	520.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
61.68734	0.7
61.98837	2.9
69.03453	0.7
70.22701	2.6
81.03442	0.9
82.91270	0.7
97.02969	0.8
100.21119	0.8
109.02995	0.8
125.02464	52.4
126.02796	1.7
134.13438	0.7
137.02448	1.2
146.14169	0.8
161.02461	3.8
165.01955	1.0
165.18378	0.7
167.03526	0.9
169.01445	100.0
170.01814	2.2
171.80702	0.6
193.01408	1.1
287.05713	1.6
305.06656	5.3
331.04639	1.6
359.15012	1.0
457.07712	6.7
458.08334	0.8
458.80750	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	520.074
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98209	40.5
78.80490	3.6
79.50278	3.6
79.62884	4.2
83.01383	7.0
87.08440	3.8
89.21656	3.5
107.01427	4.8
109.03006	4.5
112.73718	3.8
123.00896	13.2
123.04531	31.6
125.02467	51.5
139.41826	3.9
141.36043	3.8
148.61147	3.1
151.00418	18.3
151.04024	100.0
153.01958	87.8
164.76422	3.7
165.01967	3.9
169.01447	34.1
170.01837	5.6
198.28694	3.8
199.40617	4.2
257.04630	4.3
264.87280	3.7
287.05612	6.4
303.05130	85.6
304.05542	5.4
305.06516	4.1
313.05646	4.2
457.08038	29.7
458.08124	4.2
483.07947	5.8
484.08124	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	520.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69694	0.7
77.32931	0.8
89.02443	0.9
90.60544	0.8
90.83614	0.8
96.96028	25.7
97.93156	2.0
98.22630	1.7
106.81425	0.7
114.93429	2.2
119.05042	2.2
123.00928	0.9
125.02445	1.2
133.05336	1.8
135.04497	1.2
137.02423	1.1
142.06648	8.2
145.03020	1.3
147.04504	2.0
148.05336	4.0
149.06099	2.6
151.03996	1.1
158.03732	1.0
160.04094	0.8
161.02440	2.1
161.06079	4.3
162.06889	8.1
163.07605	1.1
165.01903	0.8
169.01367	1.6
176.08430	2.7
178.05049	1.6
180.95950	0.8
190.05026	1.9
190.06488	1.7
191.05795	1.1
191.07355	0.9
192.06708	3.5
204.06642	2.5
211.07571	1.1
216.03427	1.0
221.06073	1.4
223.07642	2.5
224.08450	9.6
225.08640	1.0
237.05589	1.6
238.06274	1.2
239.07214	1.4
240.07953	2.8
247.04147	1.0
250.06145	0.9
251.07007	1.4
252.07874	3.1
254.08229	2.0
256.07584	0.9
261.05618	1.0
262.06235	1.0
263.07233	4.0
264.04510	0.7
264.07919	5.8
265.05106	2.0
266.08249	1.9
267.02982	3.9
267.06415	1.2
277.05011	1.1
278.09549	1.7
279.06570	1.7
280.07526	1.5
281.04544	2.1
282.05255	2.9
282.07944	1.9
283.05817	1.2
291.03275	1.9
291.06625	5.6
292.07397	3.6
292.44556	0.8
293.08148	0.9
294.07782	1.2
295.06140	2.6
296.06866	5.5
297.07556	3.7
297.10544	0.9
298.08408	1.7
298.99762	1.7
305.04562	1.9
306.08914	5.6
308.06741	1.0
309.07742	1.2
310.07556	1.3
311.08966	1.0
311.12073	1.0
312.09647	2.6
312.13007	5.2
313.10760	2.6
325.10681	1.2
326.11581	3.5
327.12369	11.2
334.07318	1.4
335.07410	1.2
338.06958	1.8
338.11499	1.2
353.09137	4.8
354.09396	0.9
354.13507	3.9
356.11655	1.3
357.13718	2.3
368.11465	3.5
373.13257	1.4
398.08414	1.2
400.16031	1.3
401.12787	3.2
412.11893	1.7
413.12579	1.0
414.13351	1.2
416.09558	0.9
416.15009	2.5
426.13522	2.5
427.14133	2.1
429.12204	4.9
440.11240	4.8
441.11902	4.4
442.12958	3.4
444.14789	1.8
445.11615	7.4
446.12039	1.2
454.12900	5.2
455.13678	10.0
456.14557	10.6
457.10855	1.8
457.16071	1.5
460.08209	14.1
460.14133	16.9
461.08652	1.9
461.14529	2.1
470.16199	17.6
471.16656	3.5
472.14041	35.5
473.14435	2.4
473.31784	0.8
475.16565	5.3
487.16403	28.5
488.16544	3.0
490.18793	50.0
491.19119	6.9
502.18762	100.0
503.19177	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	520.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.3
59.01385	90.0
60.33598	1.5
61.98834	1.6
69.03457	6.4
69.05094	4.1
69.05500	11.9
71.01378	8.9
71.05027	3.1
85.02982	2.5
86.66117	1.6
96.29921	1.7
101.02474	4.2
112.61610	1.5
113.02419	3.5
122.06136	5.7
125.02453	2.2
136.01704	2.4
139.11308	21.0
151.03909	1.9
152.07224	9.9
161.04565	21.7
183.10281	100.0
184.10583	4.3
188.05656	4.3
251.11804	1.6
264.08957	4.0
270.44214	1.6
279.11456	5.5
323.10623	2.2
324.43573	1.6
444.19138	3.1
468.26483	1.9
488.18359	10.2
520.20978	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	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57766	1.1
53.44511	0.9
61.87523	0.9
63.15983	0.8
70.70405	2.1
78.95909	45.3
89.42122	0.9
96.96962	5.2
127.09418	0.8
150.97993	1.9
152.99603	100.0
153.99956	1.1
171.00664	3.2
183.28062	0.9
309.11691	1.0
433.23538	20.4
434.24280	2.1
441.25092	1.1
520.26740	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	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48626	0.3
58.12207	0.3
69.88925	0.6
69.89312	0.8
78.95914	45.3
86.94321	0.3
87.33368	0.3
96.96979	5.9
96.97607	0.4
150.98048	1.7
152.99608	100.0
153.99924	0.9
171.00664	3.7
279.23270	0.7
310.23892	0.4
433.23618	19.4
434.23743	1.9
520.26923	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	521.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55147	0.9
59.01381	2.4
60.99311	18.8
61.98848	2.0
69.27370	4.5
69.27788	2.5
71.01368	1.5
82.55285	1.0
85.03004	1.3
86.77933	1.0
88.98814	100.0
98.21965	3.3
98.22585	1.7
125.02449	3.1
169.01453	3.1
227.03513	1.5
240.16136	0.9
284.03220	1.2
300.99899	1.7
301.99902	1.5
315.01639	1.3
316.01877	1.5
317.02231	1.2
431.09885	1.8
521.08130	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	521.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
59.01391	6.6
61.98785	0.7
64.87803	0.8
65.29787	0.7
68.54029	0.8
69.90096	1.7
69.90496	1.6
71.01368	3.3
72.99302	3.3
73.02943	1.4
83.01377	1.0
83.38814	0.8
85.02947	1.5
87.00869	0.8
89.02440	1.7
91.60293	0.7
95.01394	1.4
98.22516	0.9
99.04577	0.8
101.02447	2.2
107.01395	5.0
108.02149	0.9
111.00897	2.6
113.02518	1.2
115.92087	1.4
123.00892	9.6
125.02460	12.7
127.00397	1.2
133.02946	1.1
134.03746	24.6
135.04092	1.2
136.98782	1.7
137.02441	3.8
139.00356	4.1
139.04002	1.2
139.52135	0.8
140.01161	3.0
141.01984	0.8
143.03564	0.7
149.06105	9.2
151.00418	4.9
160.01604	1.2
168.00630	3.7
169.01445	18.6
176.01140	1.0
178.02708	16.2
188.01161	1.8
193.05070	53.7
194.05269	1.2
200.01100	2.6
216.00664	2.8
228.00806	1.3
242.99445	0.8
244.00146	7.0
256.97360	5.0
270.98843	4.5
271.99200	1.1
284.96796	17.0
284.99835	0.6
285.97498	3.1
286.98291	1.5
298.98340	2.2
299.99118	16.0
300.99725	2.7
312.96298	25.2
312.99542	1.1
313.96698	1.7
315.01419	0.8
326.97980	0.9
327.74146	0.9
327.98608	50.2
328.99298	9.6
343.00961	89.3
344.01273	5.2
357.02524	1.0
358.03235	6.7
359.03745	1.2
377.29486	0.9
391.23184	0.8
448.03189	1.2
477.14059	46.6
478.14465	5.4
491.04733	26.8
492.05042	2.3
506.07001	23.7
507.07428	2.0
521.09357	100.0
521.33167	3.0
522.09753	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	521.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01094	1.2
59.01383	23.5
63.57589	0.6
69.09107	6.6
69.83738	0.7
71.01038	1.3
71.01392	17.9
72.99313	1.3
80.28032	0.8
83.01395	2.3
84.95139	1.0
85.02943	2.5
87.00888	0.9
87.94647	0.7
89.02454	18.5
92.45125	0.7
95.01411	1.7
99.92634	1.7
101.02463	8.7
107.01398	1.7
109.02964	2.7
113.02465	6.8
119.03507	10.5
123.00865	0.9
123.04504	0.8
124.01665	2.7
125.02474	7.6
131.03510	0.8
137.02428	2.9
139.04080	0.8
143.03525	1.0
148.01665	1.2
149.04501	0.9
151.00391	7.4
152.01180	0.9
153.02005	1.8
158.03816	1.1
160.05278	2.2
161.02422	1.3
161.04547	1.7
163.00447	1.1
164.01175	1.6
165.01944	1.0
165.28888	0.8
169.01424	3.1
172.05313	1.1
173.06076	0.8
175.07581	1.0
177.01924	0.9
178.99898	6.7
179.05673	4.8
181.05067	0.8
185.06111	0.9
189.05585	2.6
190.06326	2.0
199.03888	0.7
203.03358	1.0
205.08722	1.5
214.02724	7.2
215.03412	1.0
227.03514	1.1
231.03041	1.0
242.02185	5.9
243.02962	3.0
244.03734	0.7
259.02512	5.0
270.01685	7.0
271.02502	41.3
272.02917	2.9
286.98938	1.2
287.02023	20.1
288.02634	2.0
299.98953	1.4
300.99588	1.6
301.99686	1.7
311.13333	0.8
315.01398	2.7
316.02255	100.0
317.02924	18.4
341.10693	0.8
341.14023	7.6
359.15073	1.8
389.16074	1.0
479.08728	1.0
503.02701	3.6
521.09369	58.5
521.20795	4.6
522.09833	4.7
522.20630	0.9
547.83643	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	521.0948
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
58.00602	1.1
59.01097	1.3
59.01385	25.2
71.01030	1.4
71.01389	19.8
72.99297	2.3
75.38995	1.0
83.01389	2.8
83.26724	0.8
84.95131	1.2
85.02946	3.8
87.00868	1.0
89.02457	24.6
95.01389	2.5
99.92580	1.5
101.02467	10.0
103.31841	0.8
107.01391	2.4
109.02963	2.4
113.02470	8.0
119.03526	10.6
123.00911	1.0
123.04524	1.6
124.01682	2.7
125.02480	7.9
135.00879	1.3
137.02444	2.6
139.00363	0.9
143.03500	1.8
149.04594	1.1
151.00385	6.4
152.01169	1.2
153.01930	1.8
159.04468	1.1
160.05327	2.1
161.04533	1.9
161.05902	0.9
163.00351	1.9
164.01135	1.4
169.01465	3.6
172.05330	1.3
173.06075	1.7
177.05577	0.8
178.99898	8.2
179.05605	3.7
189.05626	2.1
190.06361	1.9
192.00720	1.2
203.03485	1.7
205.08725	1.7
214.02649	5.4
223.06157	0.9
227.03551	1.6
242.02203	6.8
243.02979	4.4
259.02457	7.9
261.99805	1.0
270.01678	8.9
271.02502	38.6
272.02823	2.7
287.01996	24.8
287.05188	1.4
288.02734	2.6
296.10599	1.5
299.99179	1.5
301.99774	1.3
311.13040	1.8
315.01599	2.5
316.02267	100.0
317.02863	21.0
318.03458	1.0
329.13989	1.7
341.13953	7.5
375.09229	1.4
389.16010	1.3
503.02826	3.7
521.09357	57.2
521.20514	5.8
522.09613	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	521.1304
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
59.01386	9.3
69.15063	7.5
69.15481	4.1
71.01382	4.9
72.99292	1.7
73.02941	4.9
79.01911	1.5
83.01400	1.9
85.02948	1.6
89.02458	2.1
95.01401	1.8
98.21883	2.7
101.02453	2.8
107.01374	9.0
111.00855	5.7
115.92075	2.7
117.33094	1.2
121.02967	2.0
123.00903	15.0
125.02458	23.8
134.03757	41.7
136.98779	1.9
137.02451	6.3
139.00400	7.6
139.04037	3.7
140.01146	4.7
149.06088	12.8
151.00381	7.1
166.78427	1.5
168.00671	3.6
169.01448	28.3
178.02727	26.8
193.05070	100.0
194.05386	3.7
200.01221	1.7
204.98228	1.2
213.62773	1.8
225.84831	1.2
244.00117	3.3
270.98770	2.8
284.96820	5.5
285.97348	3.6
298.98575	1.6
299.99182	7.9
300.99557	1.9
301.99606	3.9
303.00046	1.6
303.99918	1.7
312.96259	12.3
327.98660	27.0
328.99268	3.7
343.00964	43.8
344.01373	3.7
351.12985	1.4
358.03387	2.6
359.27884	1.8
387.60275	1.4
426.98541	1.4
448.02667	1.6
450.76764	1.5
477.14063	88.8
478.14554	8.1
491.04526	12.9
506.07040	12.7
521.09338	57.2
521.33099	5.1
522.09821	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	521.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
59.01387	9.3
67.01874	1.5
67.11597	1.1
71.01368	5.9
72.99304	2.2
73.02950	2.6
74.95623	1.0
79.01894	1.7
83.01403	1.8
84.02799	1.4
85.02938	1.7
89.02457	2.3
95.01389	2.8
101.02447	4.8
107.01404	5.1
111.00867	2.8
113.02501	2.5
123.00922	11.3
125.02453	17.6
129.96922	1.0
134.03755	44.8
136.98737	2.0
137.02434	6.9
139.00372	5.4
139.04047	1.9
140.01151	5.4
149.06082	13.5
151.00395	7.3
160.01657	1.5
161.04636	1.1
164.43968	1.1
168.00659	4.1
169.01433	21.8
178.02725	30.0
178.04263	2.0
182.11754	1.2
193.05070	100.0
194.05417	3.8
196.24915	1.0
200.01205	1.2
216.00662	1.4
229.41028	1.6
244.00175	2.7
256.97458	2.3
270.98752	1.7
284.96741	7.7
285.97607	1.7
299.99078	10.0
300.99594	3.2
301.99771	2.0
302.99942	1.9
304.00372	2.9
312.96332	11.4
327.98599	24.8
328.99289	5.0
343.00974	46.9
344.01392	3.6
358.03381	3.1
359.28079	4.6
435.13281	1.4
447.60141	1.4
448.02948	1.4
477.14093	71.2
478.14597	8.2
491.04672	13.9
493.77484	1.4
506.07147	13.3
521.09344	52.3
521.33850	6.3
522.09686	4.8
522.33978	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89194	1.3
121.02973	1.6
133.02971	1.9
134.03760	46.9
135.04091	1.6
137.02463	7.7
139.04082	2.7
149.06105	14.1
150.03226	0.9
150.06392	1.0
151.00415	0.6
169.01364	0.9
178.02736	29.9
179.03078	1.7
193.05078	100.0
194.05428	3.5
244.03360	0.5
244.62381	0.5
245.03566	0.6
250.15497	0.6
257.03439	1.1
258.03735	0.6
271.02563	1.0
272.02945	1.6
273.03076	2.4
274.03406	1.9
275.03751	0.8
300.02756	1.2
301.03116	2.0
302.03275	4.4
303.03741	2.8
304.03891	2.9
311.26819	0.5
373.19754	0.5
465.94766	0.6
514.74377	0.5
521.11078	5.0
521.18939	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40944	1.0
55.01881	1.3
57.03448	1.1
59.01384	38.1
59.68369	0.8
66.11470	0.8
69.49860	3.9
69.50266	2.1
71.01385	23.8
72.99287	2.0
73.02958	3.6
83.01392	3.2
85.02959	10.1
87.00905	2.3
89.02448	15.5
91.51165	0.9
95.01420	1.8
96.65281	1.0
99.00908	1.8
101.02451	16.9
109.02960	11.3
111.00854	1.1
113.02466	7.8
119.03501	5.4
123.04535	2.1
140.37042	0.9
159.04532	4.2
161.06352	1.1
172.05341	1.8
173.06049	3.7
179.05502	1.1
187.07637	1.7
189.05580	4.1
191.07117	2.2
194.22054	1.0
203.07071	1.3
205.08740	1.2
236.63344	1.2
240.04205	1.4
241.05095	7.0
255.06645	3.3
259.77603	1.1
267.06583	1.2
281.08224	3.8
295.09836	3.2
299.09247	3.9
311.09296	4.7
313.10892	5.8
326.11618	2.2
327.12219	1.7
329.10281	2.3
341.13983	5.2
342.14322	1.1
343.11703	1.7
344.12631	21.4
345.13257	3.1
351.18283	1.0
359.15012	72.0
360.15173	5.9
521.20325	100.0
522.20557	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	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08693	0.5
55.83812	0.5
59.01374	3.5
67.01902	0.5
68.38603	0.6
71.01390	3.2
72.58387	0.4
85.02940	0.9
87.00951	0.5
89.02449	0.6
95.01381	0.8
101.01792	0.4
101.02431	0.9
107.01399	4.0
109.02933	0.8
111.00869	1.4
112.28566	0.5
113.02477	0.8
118.54359	0.6
123.00900	4.5
124.01609	2.4
125.02460	24.2
127.00376	0.9
136.98811	1.5
137.02457	1.3
137.09735	1.0
139.00406	2.9
139.04013	0.5
140.01198	2.9
141.01830	0.6
151.00378	1.7
153.01921	0.5
165.01935	1.2
167.03462	1.7
168.00658	11.1
169.01448	32.6
170.01740	0.9
203.60458	0.5
211.02493	50.7
212.02824	2.2
231.14395	0.5
241.03532	1.6
255.33928	0.5
271.04611	100.0
272.04993	3.9
331.06723	16.7
332.07065	1.0
458.40997	0.6
460.61212	0.5
472.90753	0.6
521.14587	0.5
521.20367	12.2
522.21271	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	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28516	0.9
53.61945	0.8
55.01873	2.2
55.79747	0.8
57.03432	3.0
58.00607	1.4
59.01101	1.7
59.01385	33.5
61.98841	1.3
66.56584	0.8
70.37849	0.9
71.01388	26.2
72.99305	3.0
73.02934	1.8
83.01368	2.7
85.02958	7.7
85.28107	0.9
87.00902	1.9
88.98823	1.0
89.02450	18.7
97.02985	1.9
101.02453	3.2
107.01398	1.8
109.02962	1.7
113.02477	1.9
119.03458	1.1
121.02946	2.5
123.00876	2.3
123.04536	1.1
124.01702	5.0
125.02462	17.2
131.03514	2.3
134.03784	1.6
135.04533	3.2
137.02460	2.7
139.00278	1.3
139.04033	8.3
144.05786	0.9
149.04562	1.2
151.00415	1.0
153.05551	2.5
159.04460	2.4
160.01686	1.7
161.02446	2.2
161.06087	1.3
163.07687	10.4
165.01936	8.5
169.01451	7.4
172.05280	4.0
173.06053	3.7
175.04044	2.2
179.03513	2.4
180.19276	1.0
187.07635	3.8
189.05594	1.2
191.07153	3.6
193.05042	1.2
203.07321	1.0
205.05049	1.3
207.06633	5.1
233.04556	1.9
240.04222	1.1
253.04965	2.2
256.03934	5.2
257.04260	1.0
266.73160	0.8
268.03802	2.1
271.06320	4.3
279.06613	3.0
280.07349	1.1
281.08054	1.3
283.06177	4.6
287.01913	1.5
289.06921	1.0
295.06104	3.6
296.06866	2.2
297.07837	2.0
298.08447	3.7
309.07635	1.5
310.08499	2.8
311.09338	4.9
313.05759	3.0
316.02264	3.3
316.09482	1.4
325.10776	6.4
326.07913	6.1
326.11612	2.6
328.09454	3.2
329.10223	4.2
341.10303	14.6
342.10773	1.7
343.11880	8.4
344.12558	1.7
356.12671	7.4
357.13104	1.4
359.11362	20.5
359.15228	2.6
360.11832	2.5
369.11948	3.4
371.15024	18.9
372.15579	1.4
374.13718	29.2
375.14075	2.3
389.16083	98.5
390.16400	7.4
438.17371	1.0
459.13055	1.9
506.18079	1.7
521.12891	11.3
521.20245	100.0
522.20361	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58228	1.0
55.01868	1.3
57.85408	1.1
58.00603	1.5
59.01387	30.0
71.01028	1.8
71.01387	21.2
72.99335	2.4
73.02947	2.9
81.69877	1.2
83.01382	3.0
83.23839	1.2
85.02958	7.5
89.02460	10.9
95.01400	2.1
98.22279	9.1
99.00874	1.5
101.02441	13.9
109.02951	8.4
113.02470	6.1
119.03529	6.1
127.98013	1.0
131.03467	1.4
149.04491	1.3
159.04515	4.5
172.05403	1.5
173.06058	3.4
178.83191	1.2
189.05589	2.3
229.14456	1.4
240.04362	1.5
241.05051	5.0
248.03928	4.2
255.06657	4.0
265.08658	1.2
267.06635	1.2
281.08319	2.3
295.09851	1.9
299.09262	3.0
311.09448	3.5
313.10815	5.3
326.11636	4.4
329.10318	2.5
329.14032	3.1
341.13943	4.9
344.12662	20.4
345.12943	2.2
359.15009	55.5
360.15417	4.1
521.20343	100.0
522.20703	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	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14439	0.5
59.01377	1.4
66.40921	0.5
71.01368	1.4
71.27259	0.8
84.92439	0.5
101.02457	1.0
101.46336	0.6
107.01366	0.6
108.02115	0.7
122.03727	1.2
123.00908	0.9
124.01671	0.9
125.02448	2.2
136.01656	2.0
137.02496	3.1
140.32999	0.6
145.02956	0.7
146.03763	0.8
147.04546	4.1
149.02473	2.3
150.03268	5.4
151.04019	8.6
152.04651	0.8
153.01920	0.8
158.03749	5.8
159.04526	12.7
160.05316	36.0
161.06093	11.1
162.06444	0.6
163.04004	5.4
164.04832	7.8
165.15399	0.6
166.06342	1.2
169.01517	1.3
173.06093	5.4
175.07658	26.4
176.04799	1.4
176.08015	0.7
177.05577	8.4
178.06372	6.1
192.07974	1.1
193.08720	1.7
258.22397	0.6
271.04694	1.0
272.99405	0.8
284.96771	1.1
299.98840	1.2
312.96326	2.1
316.01614	1.2
327.98639	4.0
328.99185	0.9
329.10300	1.5
329.14011	0.8
343.00955	7.6
344.12802	1.6
359.15012	100.0
360.15298	9.6
506.06973	2.3
521.09088	8.3
521.20313	2.4
522.09729	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	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14439	0.5
59.01377	1.4
66.40921	0.5
71.01368	1.4
71.27259	0.8
84.92439	0.5
101.02457	1.0
101.46336	0.6
107.01366	0.6
108.02115	0.7
122.03727	1.2
123.00908	0.9
124.01671	0.9
125.02448	2.2
136.01656	2.0
137.02496	3.1
140.32999	0.6
145.02956	0.7
146.03763	0.8
147.04546	4.1
149.02473	2.3
150.03268	5.4
151.04019	8.6
152.04651	0.8
153.01920	0.8
158.03749	5.8
159.04526	12.7
160.05316	36.0
161.06093	11.1
162.06444	0.6
163.04004	5.4
164.04832	7.8
165.15399	0.6
166.06342	1.2
169.01517	1.3
173.06093	5.4
175.07658	26.4
176.04799	1.4
176.08015	0.7
177.05577	8.4
178.06372	6.1
192.07974	1.1
193.08720	1.7
258.22397	0.6
271.04694	1.0
272.99405	0.8
284.96771	1.1
299.98840	1.2
312.96326	2.1
316.01614	1.2
327.98639	4.0
328.99185	0.9
329.10300	1.5
329.14011	0.8
343.00955	7.6
344.12802	1.6
359.15012	100.0
360.15298	9.6
506.06973	2.3
521.09088	8.3
521.20313	2.4
522.09729	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	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.15659	2.2
68.98806	19.6
68.99222	4.0
71.01392	58.3
72.99317	5.3
75.04604	2.2
75.28832	2.2
83.01385	4.0
85.02946	7.7
89.02460	80.3
95.01403	4.9
97.77939	2.2
101.02454	30.4
102.24503	2.3
108.02231	2.4
109.02972	3.8
113.02476	21.6
119.03520	30.6
124.01682	3.6
125.02448	8.1
135.04558	3.1
145.02975	2.5
148.34608	2.2
151.03975	2.7
153.02054	2.2
160.06638	2.4
161.04619	4.9
168.00755	3.6
169.01460	4.0
171.71980	2.5
179.05612	9.9
183.02974	7.0
185.66945	2.2
210.94579	2.4
224.04829	2.6
227.07159	8.8
238.06323	3.1
252.07903	2.8
255.10295	10.3
266.05914	3.2
270.12564	3.1
283.09796	32.9
294.08945	4.0
295.09906	3.9
296.10217	2.5
298.12250	4.0
311.09296	67.2
312.09616	3.4
325.10980	6.0
326.11633	35.7
327.12076	4.2
327.98898	2.3
341.13986	62.1
342.14285	6.3
342.97345	3.3
357.74420	2.4
359.15097	2.7
362.07422	2.3
417.87338	2.3
431.76154	2.5
521.08832	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	521.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15668	1.9
57.03443	4.1
58.00591	5.2
59.01384	87.7
61.98836	3.1
62.73590	2.0
71.01389	63.9
71.27180	2.8
72.99308	7.8
73.02936	2.9
79.01875	2.0
83.01402	6.2
85.02981	13.6
87.00875	2.4
89.02456	82.1
95.01367	4.6
101.02453	31.7
107.01407	5.3
109.02945	9.0
113.02453	17.5
119.03519	25.1
121.02952	4.3
123.00872	7.1
123.04486	2.8
124.01660	4.2
125.02470	41.2
126.02818	2.3
131.03508	2.7
137.02457	6.6
137.09760	2.1
139.00400	8.4
139.04021	4.1
140.01140	7.0
143.03540	3.3
147.04550	2.2
149.04549	3.6
150.03226	3.8
151.00395	4.4
151.04018	3.4
153.01996	2.2
158.03694	4.9
159.04518	30.1
165.01891	2.8
168.00653	13.4
169.01440	41.1
170.01631	2.5
173.06050	6.8
175.03972	5.4
177.01889	4.0
179.05659	3.2
187.04048	3.1
190.06349	3.0
200.93518	2.0
205.05139	3.6
211.02502	56.6
220.07500	2.7
235.09723	2.6
239.05388	2.2
241.09962	1.9
256.41507	1.9
271.04620	100.0
272.04968	2.7
278.05850	2.8
295.06219	2.2
296.06927	6.6
299.98941	4.1
300.99335	9.2
301.03186	2.5
301.99625	7.3
311.09314	13.0
314.07870	2.3
316.01993	3.7
317.02051	4.1
326.11618	19.0
329.10291	8.5
331.06735	23.1
341.13950	75.7
342.14090	6.1
359.11319	5.3
367.65845	2.4
371.14908	25.3
521.08356	8.3
521.20605	20.5
521.33118	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	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08411	0.2
60.49372	0.2
61.66750	0.2
61.98832	0.4
63.09857	0.2
64.80667	0.2
69.17069	1.8
71.23131	0.2
71.61375	0.2
74.96733	0.2
78.71261	0.2
80.00637	0.2
93.03481	0.3
106.04250	0.5
111.00934	0.3
121.02969	1.3
125.02443	0.5
129.40179	0.2
132.42043	0.3
133.02946	1.4
134.03755	46.7
135.04071	1.4
137.02454	6.7
138.02763	0.4
139.04033	2.4
149.02489	0.3
149.06093	15.5
150.03214	0.9
150.06429	0.7
178.02730	30.2
179.03040	1.0
183.10281	0.3
186.59332	0.2
193.05070	100.0
194.05409	4.2
261.11246	0.2
304.09818	0.2
329.72977	0.2
424.03271	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	521.203
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
52.21103	0.3
58.81876	0.3
59.01389	0.4
70.87302	0.3
71.01377	1.5
71.26582	0.5
73.02946	0.4
83.45418	0.3
83.49845	0.3
85.02950	0.9
87.20002	0.3
99.00896	0.5
101.02445	0.7
107.06797	0.3
108.02171	0.9
109.02961	13.7
109.79833	0.3
109.99720	0.3
113.02440	0.7
123.04546	0.9
124.01675	0.4
125.02417	0.9
135.66612	0.3
136.69847	0.3
159.04521	5.2
161.04570	0.8
161.06012	0.6
169.01459	0.6
171.04593	0.5
173.06090	4.7
178.52376	0.3
180.22548	0.4
189.05605	4.9
190.06412	0.5
191.07152	2.7
197.06067	0.6
201.05591	0.6
203.07135	2.5
213.05605	0.9
225.05360	0.4
234.42181	0.3
237.05783	0.4
240.04222	1.6
241.05078	10.8
242.05367	0.8
255.06689	7.0
256.07251	1.0
267.06512	1.0
269.08224	2.0
281.08319	1.0
283.09686	0.7
295.09732	1.2
298.08514	0.8
299.09314	6.2
300.09634	0.9
313.10837	10.3
314.11160	1.1
327.12408	0.9
328.09686	0.4
329.10324	4.4
343.11856	2.6
344.12674	32.4
345.12967	2.4
359.15030	100.0
360.15359	8.7
365.02679	0.4
416.06226	0.4
521.20557	1.3
545.14862	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	521.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33872	16.4
59.01393	100.0
70.08672	21.2
71.26733	24.1
71.27100	22.6
106.87018	19.3
125.02467	33.8
129.25583	18.3
149.02480	18.3
169.01430	59.8
203.26088	21.6
280.77786	18.8
375.86780	24.3
378.73325	18.4
436.14044	21.6
446.99612	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50803	2.4
54.47878	2.4
54.86230	2.2
57.03187	3.8
57.03453	68.8
59.01385	60.9
61.98846	2.8
68.99159	2.5
69.64130	2.2
71.01385	3.6
85.02977	5.9
87.04526	100.0
93.78052	2.3
96.33056	2.3
98.21770	8.1
99.04530	65.4
101.02435	15.0
111.20068	2.4
125.02466	26.8
134.76006	2.4
138.94153	2.3
140.95453	2.3
228.84184	2.9
241.91074	2.5
377.21762	9.1
520.38977	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	521.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58070	1.4
69.69788	8.4
76.28075	1.4
77.54117	1.2
78.51730	1.3
94.15257	1.4
96.96016	3.4
97.73077	1.4
104.34418	1.8
124.04045	5.1
125.02459	4.4
131.08281	78.9
156.07787	3.4
169.01450	5.9
173.10449	100.0
174.10811	2.6
211.02531	2.5
216.44548	1.4
257.07816	6.2
271.04703	2.3
309.11935	2.3
386.92435	1.7
420.43771	2.1
521.03766	2.6
521.16504	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	521.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09136	5.6
69.09566	4.3
81.87641	1.1
82.71873	1.1
87.50333	1.2
96.96017	2.6
112.52760	1.0
113.06148	1.2
131.08284	76.5
132.08548	3.0
156.07777	3.8
173.10452	100.0
174.10777	2.3
194.21324	1.1
236.24571	1.2
364.32669	1.5
390.16513	1.4
455.10419	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	521.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92753	1.2
55.01867	3.6
56.99812	1.0
57.03436	3.1
58.00601	2.8
59.01384	62.8
61.98819	4.3
67.29975	0.9
68.99612	3.2
69.00016	7.4
69.03468	1.0
71.01389	61.5
72.99299	5.2
73.02946	16.2
75.00877	2.2
82.77261	1.0
83.01398	6.7
85.02484	1.4
85.02962	22.8
85.89669	0.9
87.00885	4.3
89.02451	39.4
94.21378	1.0
95.01395	5.1
97.02954	1.3
99.00888	4.3
101.02454	40.7
104.92094	0.9
108.02224	1.1
108.68144	1.2
109.02990	1.4
111.00858	1.2
112.46298	1.3
113.02466	22.8
119.03513	17.2
121.10222	1.3
123.00886	1.0
123.13042	1.0
125.02465	4.1
131.03502	1.9
134.03755	1.7
137.02531	1.4
139.03990	1.1
143.03500	3.5
149.04588	2.0
156.07971	0.9
159.03026	2.4
161.04572	10.2
167.10815	1.8
169.01428	5.0
178.02721	4.6
179.05649	9.4
181.12263	1.3
187.13362	7.7
190.96776	1.8
192.17973	1.1
193.05058	8.1
201.14966	4.2
211.13338	2.2
267.16019	2.2
299.26065	1.4
300.99753	1.4
329.26898	1.5
343.00781	1.0
359.28055	45.1
360.28397	2.8
402.84839	1.1
468.26498	1.1
486.10345	1.2
491.33096	1.3
521.33337	100.0
522.33710	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	522.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	49.4
64.09888	1.3
70.60166	3.1
70.60535	2.7
72.99308	1.6
74.15780	1.3
74.66039	1.2
90.03511	3.2
92.01408	1.5
92.05080	8.7
96.96024	1.7
98.02503	2.7
99.92599	69.7
100.92626	3.3
100.93352	2.2
105.02187	2.9
109.93430	4.8
115.92094	26.5
116.05055	2.5
116.92873	100.0
117.03481	4.4
117.92892	4.0
118.02969	4.6
119.05045	2.0
125.92916	23.3
126.93667	1.4
130.06622	2.4
134.02496	6.5
134.03633	2.7
135.04596	1.7
136.04051	9.7
141.92471	2.3
142.06664	2.9
144.04506	1.9
145.02991	12.3
145.97046	2.7
146.03644	1.7
146.06149	3.5
148.05276	1.6
150.03288	3.0
154.93155	2.2
155.94020	1.8
157.07712	2.2
157.91876	7.4
162.02036	3.9
165.05530	3.6
167.95265	1.6
174.05542	2.5
174.97365	1.8
189.76450	1.5
189.96039	11.3
190.05106	1.9
190.96819	3.4
191.97571	7.8
203.95206	22.1
205.61232	1.4
217.95517	42.8
218.96312	10.5
219.97076	9.4
233.98572	1.6
235.06332	1.7
238.99132	1.9
243.97162	2.2
254.98712	1.6
257.00284	4.0
257.98679	5.3
260.30423	1.6
270.09183	2.0
271.96564	5.3
272.97379	4.6
273.98001	2.5
274.99020	2.0
282.98267	4.6
289.97562	2.6
300.99246	98.9
301.99936	7.4
312.12463	4.7
314.97321	1.6
328.98776	2.3
344.98209	16.9
374.99463	4.2
376.13007	3.2
425.11746	6.5
442.05115	14.7
457.14819	2.6
472.16876	2.9
474.15021	4.8
489.17203	4.2
491.19357	2.0
492.19138	5.1
499.14752	2.0
503.19284	4.1
504.05219	2.3
504.19479	14.6
522.06195	60.7
522.17865	3.7
523.06604	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	522.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10292	0.9
61.98837	100.0
63.61200	0.8
66.54475	0.8
68.97178	8.5
100.02827	0.8
109.02966	4.8
121.02949	1.1
125.02467	2.1
133.02893	0.8
133.10431	0.9
135.04556	6.1
137.02386	1.0
148.05330	1.0
154.10271	1.0
155.67062	0.8
161.02460	1.0
175.04051	1.7
176.04839	1.1
178.05089	3.5
187.03990	0.9
191.07027	1.2
202.05023	2.1
227.03534	12.1
255.03023	14.2
256.03598	1.4
279.06766	1.4
284.03284	11.2
285.04047	13.5
297.07718	1.3
312.09790	2.1
313.10098	1.2
327.12457	10.1
328.12161	2.6
358.92844	0.9
459.09357	21.7
460.09818	2.4
460.17938	1.0
472.17603	1.0
492.16113	1.5
504.16919	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	522.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.6
57.66912	3.1
59.01388	22.9
61.98834	100.0
69.11486	10.2
69.11906	13.6
71.01388	34.8
73.02947	9.9
73.98188	3.6
83.01402	5.6
85.02950	14.4
87.00893	4.2
89.02446	9.9
89.99146	3.0
95.01421	6.3
98.22084	12.9
99.00900	6.7
101.02450	26.6
113.02486	11.1
119.03514	6.8
120.03132	2.8
121.46062	2.7
123.00864	5.7
125.02457	36.9
137.02457	3.5
143.03540	3.4
145.11270	3.5
161.04570	6.9
162.04834	2.8
169.01428	53.7
178.02763	3.4
193.05092	4.5
211.13515	6.5
227.03349	15.3
238.78473	3.2
255.03023	20.6
284.03308	21.5
285.04037	5.5
300.99747	3.7
328.98737	3.1
342.74844	3.3
343.00894	3.3
344.01401	7.0
359.28015	26.1
360.28424	9.9
447.00690	3.4
459.09225	33.5
504.07526	3.8
521.33429	28.4
522.09662	12.3
522.33575	19.7
523.17596	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01373	1.0
67.01897	1.2
68.47083	0.5
69.03458	1.5
69.21387	3.9
71.01395	3.5
78.14500	0.5
79.01907	1.3
83.01402	1.0
84.67057	0.6
85.02967	1.8
95.01398	1.9
96.89312	0.6
97.02950	1.4
98.82101	0.6
101.02449	1.3
107.01399	9.1
109.02960	0.9
111.00878	1.9
113.02465	1.4
123.00900	15.4
123.04523	0.8
123.05399	0.6
124.01784	0.8
125.02463	51.2
126.02809	1.2
127.00259	0.7
136.07697	1.9
136.98775	1.7
139.00385	6.4
140.01170	2.7
141.01935	1.8
149.02448	0.7
151.00406	10.6
151.04022	1.7
153.01994	1.4
154.99821	0.6
157.68796	0.6
160.80714	0.6
161.02417	1.0
163.03993	0.8
164.07175	14.6
165.01967	1.5
167.03458	1.2
168.00644	3.2
169.01445	72.8
170.01787	2.6
172.58694	0.6
177.01949	0.9
194.06354	0.7
206.04666	1.5
211.02673	1.2
223.02443	1.0
253.03607	1.3
313.05698	20.1
314.05899	1.2
346.66159	0.7
348.80890	0.7
422.70963	0.6
450.14087	13.8
451.14456	0.8
478.13593	100.0
479.13901	8.2
511.12570	0.7
522.12402	10.7
523.13135	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	522.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13935	1.4
57.03466	7.8
57.60342	1.2
58.02982	10.3
58.58331	1.1
61.98841	1.7
69.23585	1.2
69.26651	9.1
70.02985	5.8
72.00910	4.4
81.03462	3.6
83.01386	2.9
86.60210	1.2
91.05542	2.4
93.03484	1.7
95.05024	1.3
96.00907	3.5
97.01716	2.2
97.02966	2.5
98.19587	1.2
98.21761	2.1
109.02965	14.4
111.00902	4.3
117.27703	1.3
121.02984	2.2
123.04516	8.6
125.02460	67.7
126.02815	1.5
134.03772	1.6
135.04541	5.5
137.02473	16.3
139.04015	2.9
145.02971	17.0
146.03761	4.0
147.04543	25.7
149.02467	5.3
151.04027	3.2
159.04546	9.2
160.05199	1.9
161.06125	9.2
162.03229	1.3
164.01257	1.7
164.07179	65.2
165.02002	2.0
165.07408	1.5
169.01462	4.2
175.04010	7.2
179.03535	5.2
180.04202	2.3
183.04543	2.9
185.06085	6.2
187.04024	5.3
188.04796	2.6
188.05382	2.4
188.07182	29.9
188.89456	1.5
191.03526	2.8
193.05048	2.0
195.06564	2.0
199.07678	1.3
201.05653	4.2
202.06519	1.7
203.07152	12.1
205.05084	4.6
206.08234	100.0
207.08543	4.5
209.06194	2.3
211.04016	3.1
211.13304	1.9
213.02051	2.0
214.05336	1.3
219.02995	3.1
227.07100	5.4
229.05032	2.7
230.02222	1.7
245.08292	10.0
250.07271	2.1
253.05112	18.3
254.05280	2.4
271.06131	54.7
272.06485	1.9
289.07205	82.7
290.07556	5.0
300.02942	1.7
426.33096	1.5
522.14258	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	522.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79535	39.0
61.98821	88.5
66.30393	50.3
69.11620	40.1
83.82050	39.3
106.69687	47.5
108.74558	42.8
125.02473	84.7
127.75097	42.8
150.97241	41.4
169.01447	100.0
269.98007	83.1
314.00723	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
60.99313	21.5
61.91539	1.9
65.61816	1.9
69.69270	4.3
69.69672	6.4
75.51505	1.4
80.72600	1.9
88.98815	100.0
89.02486	1.7
90.84135	1.6
98.22126	5.0
101.02448	2.3
109.02940	2.3
111.00859	2.4
121.02923	4.1
140.01112	2.7
140.73047	1.7
147.04460	2.0
151.00360	9.1
163.00359	1.6
165.05594	3.1
168.00684	3.2
169.01450	8.0
178.99843	4.3
227.03494	3.1
243.02971	6.4
245.04636	1.9
255.02992	15.5
271.02460	24.2
272.02853	2.9
300.02789	56.0
301.03537	57.3
302.03891	3.9
361.16708	10.3
433.07788	76.6
434.08157	10.6
523.14520	6.3
523.21887	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	523.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	24.5
62.92015	11.1
69.15886	100.0
84.51307	11.3
85.02943	42.8
85.44096	12.7
87.00883	13.8
91.96925	10.9
101.00958	12.6
111.00909	48.1
112.00389	14.0
124.29174	11.0
126.98929	19.1
138.80058	11.4
169.00012	58.7
169.01292	20.0
188.84039	13.7
191.02051	89.7
209.03096	19.1
211.02580	14.4
229.01970	14.4
230.18161	12.2
266.47278	15.7
331.06369	16.6
344.06430	11.9
419.10513	48.4
437.00626	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	523.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53654	8.5
66.12878	8.8
85.02960	100.0
85.32210	8.2
87.00863	11.4
98.22540	24.7
103.04296	9.3
111.00892	30.9
147.02963	11.4
169.01479	21.4
172.90062	9.8
176.85915	10.6
191.01967	77.6
277.31497	10.1
331.06772	26.0
526.73511	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	523.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.00592	1.6
59.01379	21.3
60.99361	1.9
61.98838	39.3
67.01887	1.7
68.16508	1.4
70.92044	2.7
70.92389	1.6
71.01389	28.7
72.99313	14.3
73.02975	5.1
75.00883	9.5
83.01411	4.5
85.02969	18.2
87.00894	5.8
88.98808	7.1
89.02452	11.5
95.01402	6.9
97.03005	1.9
99.00902	8.0
100.66364	1.5
101.02460	11.1
103.00388	2.8
104.52979	1.7
107.01408	15.6
111.00947	8.4
112.61243	1.6
113.02460	22.6
113.03179	2.4
115.00417	5.1
117.01894	1.9
119.03537	1.6
121.02977	24.1
123.00897	7.0
124.01734	3.0
125.02458	45.1
125.03333	3.0
127.00394	2.0
129.01970	2.8
131.03476	3.6
135.04544	2.6
136.98813	2.8
137.02466	1.8
139.00400	6.8
140.01215	7.4
149.04610	5.5
151.00427	5.0
152.07211	1.9
153.01936	1.5
161.04593	2.8
166.99831	1.7
167.03185	1.5
168.00653	13.4
169.01442	76.5
170.01756	2.3
171.10468	1.5
175.02545	4.5
191.05591	1.8
192.07491	1.6
193.03519	15.5
209.04532	18.3
225.04062	4.4
243.05048	2.8
245.00850	2.9
249.06154	21.8
267.05118	44.7
268.05484	3.3
275.01971	1.6
300.02780	2.1
300.99844	5.9
301.03033	1.7
339.07211	16.7
357.08304	4.8
361.09079	2.0
371.09912	33.9
372.10205	2.3
383.06229	14.5
401.07269	100.0
402.07587	6.1
404.63947	2.0
433.07700	2.3
463.21960	6.0
492.17557	3.2
514.48059	1.6
523.10968	42.5
523.35052	5.1
524.11584	3.8
524.20038	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	523.1461
Annotation	CHEBI:69802
Peak:m/z	Relative Intensity
57.03442	2.7
59.01388	7.7
60.01995	1.4
61.98820	2.5
67.01878	2.5
69.38194	9.9
71.01385	12.1
73.02956	2.5
81.03458	2.3
83.01404	3.8
85.02980	3.3
89.02418	1.5
91.01904	3.6
95.01396	4.1
96.99341	1.8
101.02441	4.1
107.01386	5.1
108.02220	10.5
109.02970	8.2
111.00901	2.6
113.02448	5.4
120.02203	2.4
121.02982	3.0
122.03690	2.8
123.00879	6.8
123.04536	17.7
124.01712	2.3
125.02468	20.1
134.03703	1.6
136.01680	10.0
137.02419	5.2
137.06114	2.8
139.00369	1.5
148.01688	21.0
148.26366	1.4
149.02414	5.0
149.06120	2.7
150.03223	3.7
151.00374	11.0
151.04022	14.7
152.01154	15.7
153.01910	3.2
153.05583	16.7
159.04611	2.1
161.02481	2.4
161.06058	3.5
163.04033	27.6
164.04572	1.8
165.01958	2.2
165.05559	2.9
166.02724	51.1
167.03520	39.7
169.01445	11.0
177.01952	4.4
178.02727	41.0
178.41708	1.6
179.03401	4.7
181.05086	88.8
182.05351	3.2
183.03017	1.8
191.03412	1.5
193.05080	100.0
194.05412	3.8
195.06686	1.9
209.04536	1.7
211.06155	34.1
212.06392	2.4
269.06750	6.1
296.05286	2.5
311.07755	45.7
312.08185	2.3
326.10449	2.0
327.07224	2.7
340.02826	1.6
342.13611	2.2
361.15924	4.6
463.12555	7.4
490.11945	1.6
493.13507	26.0
494.13821	4.2
505.13614	23.1
523.14148	3.9
523.20935	9.4
524.19519	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	523.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82407	0.5
57.03437	1.3
59.01366	1.1
65.00323	1.5
67.54231	0.5
69.03458	0.5
69.65451	0.6
69.87714	2.6
71.01369	2.4
74.52796	0.6
78.48510	0.8
81.03454	7.5
83.01379	2.1
95.01406	1.1
97.02954	1.0
99.08148	1.6
101.02448	0.8
101.06047	0.5
105.93815	0.6
107.01391	5.0
111.00875	0.7
112.89751	0.6
113.02525	0.7
119.05028	0.7
122.03819	0.7
123.00894	4.6
123.08184	3.1
124.01676	1.4
125.02454	45.7
125.06087	6.4
126.02840	0.9
139.00371	2.0
140.01135	1.0
141.01918	0.7
145.02966	1.6
147.08200	1.3
149.02473	1.5
151.00388	3.2
165.09219	40.2
166.09540	1.6
167.03487	0.9
168.00690	3.3
169.01437	40.3
170.01767	1.5
179.03450	0.6
180.04300	19.1
184.87260	0.6
191.07135	1.3
195.06642	14.6
196.06987	0.9
209.08200	75.9
210.08563	3.3
211.02466	8.2
223.09752	1.4
233.08195	6.1
234.08527	0.7
241.03523	1.4
251.09343	1.6
271.04501	4.5
313.05682	17.4
439.08566	1.5
523.14624	100.0
524.15021	9.9
524.22351	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	523.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.7
61.98838	6.6
63.31912	0.6
66.46629	0.5
68.71269	0.7
68.96629	3.7
68.97060	2.3
69.03455	1.2
71.01379	2.0
79.01896	0.5
81.03456	1.2
89.78320	0.6
93.03455	1.2
95.01382	1.7
97.02966	2.0
103.97356	0.6
107.01391	1.0
109.02977	1.0
123.00853	2.8
124.01691	3.5
125.02461	77.3
126.02799	1.9
127.07879	0.6
131.93445	0.6
134.03745	2.9
135.04543	1.9
137.02435	2.4
139.00388	1.5
149.02487	0.8
149.06094	1.2
151.03973	0.8
162.03140	0.8
166.99887	0.8
168.00662	6.9
169.01443	100.0
170.01770	3.9
171.49188	0.6
178.02802	0.9
179.03554	0.7
193.05064	4.8
195.06656	1.4
205.08702	0.7
209.08232	1.9
209.11812	2.4
211.02458	1.2
227.03516	0.6
228.03720	0.7
230.80751	0.7
238.78365	0.6
255.03049	0.6
256.03363	1.2
285.03806	1.1
313.05685	5.2
331.06747	9.2
369.13312	0.7
370.13742	1.7
371.14191	2.5
460.09702	2.9
479.18677	0.8
523.18243	48.7
524.18439	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	523.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00728	0.6
55.01859	0.7
57.03448	1.0
59.01379	7.2
69.03438	1.5
71.01389	8.4
73.02942	1.8
80.23721	0.6
81.03475	0.6
83.01397	1.5
83.05013	0.9
85.02976	3.3
87.00930	0.7
88.24652	0.6
89.02443	2.4
95.05017	1.9
99.00864	1.2
100.34830	0.6
101.02444	5.0
108.02183	100.0
109.02414	1.3
109.02999	2.0
109.06566	1.2
113.02450	2.8
119.03507	1.1
121.02968	2.8
122.03799	3.1
123.00929	1.3
123.04536	70.0
124.01695	4.2
124.04852	2.5
125.02442	2.0
125.38071	0.6
133.02940	1.8
134.03697	1.4
135.08138	0.8
136.01672	24.9
137.02368	0.8
139.04028	2.6
139.11261	2.5
147.04504	1.5
149.06026	1.1
151.04021	55.0
152.01186	7.4
152.04343	1.8
161.04584	0.7
165.05582	6.0
167.03505	13.1
169.01440	1.5
177.09247	5.4
179.07121	2.1
183.10278	7.3
193.05089	0.7
195.03017	12.1
221.08124	1.1
228.88525	0.6
229.04930	0.8
237.04018	1.4
273.00720	1.0
285.04010	2.6
315.12604	0.6
343.15570	1.3
346.14392	3.4
361.16568	24.8
362.16937	1.7
367.73935	0.6
461.07458	0.9
523.21515	16.3
524.21936	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48977	0.3
59.01424	0.3
61.98835	0.8
66.87927	0.2
68.12552	0.2
69.03467	1.6
69.36594	1.8
71.01353	0.3
74.28181	0.2
74.28561	0.2
79.01904	0.5
81.03463	0.8
87.83165	0.2
89.33821	0.2
91.54073	0.2
95.01438	0.4
97.02957	1.9
107.01369	0.3
108.02169	0.4
109.02985	0.7
121.27810	0.3
123.00911	0.4
123.04597	0.2
124.01674	0.9
125.02460	57.1
126.02794	1.3
126.93079	0.3
139.00374	1.5
140.01170	7.4
153.01935	0.8
154.02751	0.5
155.03525	11.9
156.03912	0.4
168.00665	0.4
169.01440	100.0
170.01779	2.7
193.05234	0.3
196.70306	0.2
317.08835	0.7
371.15060	1.2
394.20444	0.2
479.19440	0.8
480.19754	0.3
523.17609	1.5
536.03107	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	523.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17605	0.4
59.01387	0.6
61.98835	100.0
71.28925	0.8
109.02943	0.8
125.02472	1.3
150.04570	0.4
151.04051	1.1
153.01938	0.9
158.54872	0.5
160.74155	0.5
169.01508	1.0
171.43381	0.4
177.05699	0.7
194.98196	0.5
204.21777	0.5
230.07590	0.5
498.86902	0.5
544.24634	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	523.2187
Annotation	Mascaroside
Peak:m/z	Relative Intensity
57.03447	1.8
58.00596	1.1
59.01382	31.2
60.01697	0.9
61.98832	2.5
70.55965	0.9
70.56274	1.5
71.01384	20.1
71.05032	1.2
72.99294	2.2
78.85853	0.7
83.01413	1.1
83.05058	3.9
85.02982	4.0
89.02454	21.1
95.01415	2.3
97.06590	1.2
101.02444	11.4
107.01397	1.9
107.04973	1.4
111.00905	1.6
113.02464	8.6
119.03526	9.7
122.87577	1.0
123.00899	4.7
124.01627	0.9
125.02464	8.4
131.03537	0.9
133.06596	6.2
135.04584	2.5
137.02481	1.1
139.00421	4.8
140.01239	1.9
143.03549	1.5
146.07497	1.1
149.04523	0.8
151.00410	3.4
159.57533	0.8
161.04573	2.1
167.03503	1.4
168.00681	1.4
169.01411	8.7
171.32788	0.9
173.09798	1.3
175.11278	1.7
177.12816	1.0
179.05626	10.1
183.03017	1.2
185.09767	1.4
203.10774	6.1
203.14456	1.7
211.02562	2.2
229.12350	15.6
229.14417	1.2
230.12654	1.1
255.17555	1.9
269.15491	1.1
271.04639	1.6
271.17209	1.2
273.18585	6.2
297.15155	2.5
299.16473	6.8
317.17612	6.8
329.96930	0.8
343.15515	34.8
344.16089	3.0
361.16589	71.1
362.16873	5.2
371.15439	1.2
403.17731	11.4
493.16852	1.2
523.22034	100.0
524.22394	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	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01873	2.5
57.03434	1.4
58.00608	1.2
59.01387	24.7
68.99832	1.2
69.03470	0.9
71.01389	24.8
71.26350	1.2
72.99323	5.0
73.02959	5.3
75.00883	5.3
83.01399	4.8
85.02960	14.6
87.00884	3.4
88.98786	1.2
89.02448	8.8
93.03486	0.9
95.01388	4.3
99.00903	6.0
101.02454	16.0
107.01389	4.0
108.02179	8.9
109.02975	5.6
111.00890	1.7
113.01732	1.1
113.02461	12.5
115.00436	1.3
119.03501	3.0
121.02971	31.6
122.03751	12.0
123.00864	2.3
123.04559	6.9
124.01646	2.0
125.02461	12.9
129.01953	1.1
129.03455	1.0
134.03725	1.9
135.04498	2.5
136.01646	1.3
136.98817	1.0
137.02470	4.0
139.00368	2.6
139.04004	0.8
140.01120	2.7
143.03455	0.8
147.04556	7.0
151.00337	1.0
151.04015	5.0
152.01292	0.8
154.02721	2.6
159.02998	0.9
161.04680	1.1
161.06104	3.4
162.06903	1.1
163.04027	1.7
165.05586	25.2
166.05885	0.7
168.00682	3.6
168.04259	1.0
169.01439	20.4
173.06068	0.9
175.02437	1.4
179.07152	8.9
191.03522	1.6
191.07112	2.1
193.03435	1.0
209.04588	2.9
219.03188	0.8
225.04097	1.6
231.05089	0.9
243.05212	1.3
247.02486	3.4
249.06174	7.4
267.05176	6.8
270.12036	0.9
273.00607	1.0
291.01477	0.9
298.12128	1.8
313.14429	2.1
315.12411	1.8
315.27451	0.7
316.13202	1.1
328.13309	1.9
329.96521	1.7
339.07208	1.7
343.15524	5.2
344.98969	2.5
345.13501	1.0
346.14267	9.1
347.14923	2.8
357.08350	2.7
361.16580	100.0
362.16852	7.9
371.09866	19.2
372.10449	1.2
383.06082	1.3
401.07269	22.6
402.07617	1.2
523.10870	26.5
523.21863	93.9
524.11279	3.2
524.22241	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	523.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62812	1.9
60.99296	7.2
69.11271	8.4
69.11692	12.6
78.02129	2.4
78.95908	51.4
79.48775	2.3
88.98811	38.3
91.12873	2.0
94.66230	2.1
96.96929	5.2
152.99600	100.0
157.75760	2.2
171.00616	4.3
186.86626	3.4
242.89262	6.5
260.90454	3.1
405.71594	2.3
433.23560	23.7
450.70605	2.3
520.93622	2.5
543.84229	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2917
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
57.03450	4.1
59.01384	1.9
65.00303	1.4
65.03971	13.9
67.01868	3.8
69.03460	5.9
69.57486	3.3
70.53666	0.8
71.01387	7.0
72.93627	0.8
79.05537	1.4
81.03461	16.5
83.01380	3.2
83.05024	5.7
85.02934	1.1
86.96380	1.0
91.05530	1.7
93.03458	2.7
95.05027	5.3
97.06561	0.9
101.02404	0.9
101.36070	0.7
101.54889	0.8
107.05037	53.0
108.05415	1.7
109.02968	3.5
109.06579	1.1
111.32464	0.8
119.05060	1.9
125.02454	25.2
126.02821	0.9
127.79953	0.7
133.06607	7.3
135.04526	4.4
135.08080	0.9
137.06076	1.6
151.04019	100.0
152.04346	3.3
158.52527	0.7
161.06114	1.9
169.01399	1.4
177.05573	38.1
178.05893	1.3
179.03497	2.1
197.04688	1.6
205.05057	13.1
206.05495	0.8
221.19160	1.9
223.06151	4.8
239.20274	1.2
265.18127	1.4
283.19061	1.2
299.22443	13.3
325.23886	11.8
326.24377	0.8
327.21912	2.5
335.22226	2.1
351.25482	1.1
353.23419	6.0
361.23920	1.7
371.14719	1.1
371.24396	2.5
373.52396	0.8
377.27063	2.3
379.24991	4.3
391.27032	2.0
403.12860	0.9
440.31540	1.0
479.30170	2.5
487.27069	13.0
488.27048	1.7
505.28140	16.1
506.28387	1.9
523.29144	43.0
524.29358	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	523.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45002	1.0
52.98120	1.1
57.03458	1.7
59.01390	2.2
61.98839	32.3
62.03457	1.0
65.00314	1.6
65.03652	1.8
65.03973	20.4
67.01899	8.6
69.03471	3.1
69.17936	10.2
71.01387	8.7
79.05550	3.6
83.01382	3.1
83.05031	9.2
91.05547	2.3
93.03455	2.8
95.05040	1.5
101.02408	1.2
107.05045	85.5
108.05420	2.3
109.02971	6.0
109.06622	1.6
125.02456	10.0
127.14239	1.1
133.06618	8.9
135.04541	4.0
137.02458	1.3
140.01176	2.6
151.04025	100.0
152.04321	2.4
155.03502	5.3
161.04706	1.2
161.06068	1.6
177.05589	37.7
179.03500	2.6
188.43961	1.0
205.05075	12.9
221.19139	2.3
223.06120	6.9
249.09625	1.1
265.18134	2.1
283.19229	2.2
299.22369	18.9
300.22650	1.7
325.23871	4.6
327.21765	4.2
335.22217	1.3
353.23224	6.4
371.24402	1.9
377.27087	1.2
391.27100	2.2
397.21439	1.2
426.74216	1.2
443.27887	2.6
487.27158	10.7
488.27499	1.3
505.28110	18.2
506.28397	2.4
523.29211	55.5
524.29504	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	524.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88206	3.1
56.63148	3.0
57.44357	3.6
57.98993	3.2
59.01382	11.8
61.98839	16.4
71.01382	13.9
85.02964	11.9
95.01387	4.2
98.22549	8.6
99.00874	5.2
99.26098	3.3
108.02193	90.5
109.02477	22.8
113.02451	13.7
123.00867	6.3
123.04540	72.5
124.01691	8.2
124.04861	18.0
125.02441	10.6
134.03735	13.4
136.01686	27.0
137.02025	5.0
139.04050	7.3
140.01208	4.5
149.20909	3.5
151.04022	42.0
152.01146	5.9
152.04361	13.3
167.03511	10.0
168.03854	4.9
169.01436	7.0
193.05064	12.1
195.02939	8.6
202.70279	3.4
229.05040	15.2
257.04620	6.8
285.04047	100.0
286.04425	8.8
315.69958	3.5
461.07227	19.8
524.18158	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	524.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38489	0.3
53.87368	0.3
59.01390	0.4
60.33929	0.3
61.98837	100.0
69.08304	0.6
69.08702	2.4
71.01415	0.4
72.97426	0.3
90.81825	0.3
107.01422	0.5
123.00930	0.7
123.04570	0.9
125.02467	5.1
129.42834	0.3
136.01680	0.5
139.00385	0.3
149.02510	0.7
150.03262	0.5
151.00427	0.8
151.04015	1.7
153.02116	0.4
161.06126	0.6
167.03532	0.4
169.01434	5.2
181.05219	0.3
209.01010	0.5
227.03221	0.3
242.02171	0.4
257.04465	0.4
261.48923	0.3
270.01791	1.0
271.02582	1.5
285.04074	3.6
286.04749	0.7
299.01892	0.4
313.03625	1.5
313.06454	0.8
314.04370	2.8
326.10727	0.9
329.06650	7.9
330.07089	0.6
345.22815	0.4
410.70236	0.3
461.10922	5.3
462.11270	0.4
525.16150	5.6
525.23499	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	524.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46745	0.6
59.01367	1.0
60.99322	0.9
61.98818	2.4
62.40500	0.6
64.61287	0.7
71.01364	1.3
71.26839	1.1
82.95419	1.5
88.98826	5.3
98.02467	0.9
107.01430	1.1
108.02218	3.6
109.02972	25.0
119.05038	1.6
121.02958	2.5
123.00902	3.1
123.04556	3.7
124.01672	1.8
125.02454	11.2
133.02983	1.2
135.04536	2.8
136.01653	2.0
136.04036	1.1
137.02458	31.0
138.02921	1.6
139.00339	1.9
140.01120	1.9
145.02937	6.9
146.03729	2.0
147.04495	2.6
148.04008	2.1
149.02473	0.8
149.04872	0.8
149.06047	1.8
150.03217	2.0
151.00363	9.0
151.03969	2.3
152.01141	2.5
152.04541	0.7
154.02638	0.8
159.04521	7.7
161.02464	7.2
161.06100	27.0
161.07439	1.7
162.03256	1.7
162.06429	0.9
163.03958	2.1
164.07176	1.9
165.01958	2.0
165.05548	0.8
166.02728	24.3
167.03487	4.4
169.01437	4.8
173.02467	15.0
174.03143	2.0
175.04007	2.0
176.04849	0.7
177.01907	1.3
177.05518	1.7
178.02676	0.9
178.06468	0.8
179.03525	2.3
179.07227	4.1
180.04268	1.9
181.05075	22.6
182.05412	0.8
191.03476	1.4
193.01451	0.9
193.05034	2.0
195.02975	1.0
195.06660	2.0
196.03697	3.9
196.06871	0.7
204.04335	0.8
210.05301	1.1
211.06053	2.4
219.06499	1.0
225.07713	2.1
226.08031	2.7
227.07150	3.1
237.05585	4.2
239.46463	0.7
243.02979	1.7
255.06641	4.6
256.09784	6.7
258.05341	2.1
265.05096	6.1
266.05789	2.1
273.07703	8.3
275.09335	0.7
282.05338	1.9
282.08832	1.4
283.06152	34.8
284.06439	2.1
297.07840	1.2
298.08490	47.2
299.08826	3.0
313.10843	75.4
314.11240	4.3
315.08963	1.0
316.09454	5.2
322.10876	1.3
324.12396	1.5
331.11975	7.4
342.13470	5.2
343.11777	4.3
352.11896	0.7
354.48175	0.8
361.12943	100.0
362.13235	7.1
362.17084	1.4
373.11398	2.6
373.24329	0.7
476.17297	5.5
476.47855	0.7
494.18317	11.6
495.18774	1.4
506.18140	4.2
524.19360	26.9
525.12372	1.0
525.19629	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	524.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70826	16.9
69.43189	30.4
69.43585	100.0
73.65106	14.7
88.35416	13.7
116.96505	19.1
128.32039	17.2
130.95969	18.5
145.03003	33.0
177.35086	16.6
222.82246	23.9
231.02826	16.4
301.76886	22.0
319.22690	86.8
328.02692	16.1
346.04031	16.5
517.66479	23.9
521.29608	20.2
546.02246	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31531	8.4
69.00010	12.6
69.00364	100.0
89.40132	9.0
98.15156	9.0
221.80772	10.8
319.22717	52.2
524.33221	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	524.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49062	17.9
65.84768	17.5
69.79553	41.3
69.79958	69.4
78.86177	20.7
144.11977	21.5
179.83629	17.2
319.22925	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	525.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78189	0.7
59.01398	1.4
65.00308	1.0
67.01880	0.9
69.11272	7.6
71.01387	5.7
79.01908	1.1
80.44608	0.8
83.01366	1.0
84.62076	0.8
85.02952	1.8
86.60614	0.8
93.03452	0.9
95.01373	1.7
97.02982	1.4
100.67780	0.8
101.02453	1.5
107.01405	12.6
109.02951	2.9
111.00861	1.3
113.02471	1.4
121.02945	1.1
123.00906	10.7
123.04550	2.0
124.01687	2.2
125.02464	70.9
126.02802	1.5
126.61961	0.8
127.00367	0.9
127.63641	0.8
136.01685	2.0
137.02431	1.3
138.03217	1.1
139.00378	3.8
140.01190	2.2
148.01675	12.9
149.02393	1.8
150.03288	1.0
151.00410	8.6
151.04013	3.1
153.05600	12.4
163.02730	1.3
163.04025	16.5
165.02014	1.3
166.02740	8.7
167.03488	2.8
168.00639	2.8
169.01443	100.0
170.01752	3.4
178.02713	12.3
179.03467	4.3
181.05083	21.6
182.05333	1.3
193.05067	11.9
194.05429	1.6
196.03735	1.1
211.02510	2.9
211.06180	6.8
225.55914	0.9
241.03563	2.2
271.04626	2.7
313.05685	83.4
314.06097	5.0
465.04156	1.6
465.10413	19.5
466.11044	1.7
495.11499	22.5
496.11771	1.8
507.11469	50.4
508.11447	4.0
525.12592	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	525.1618
Annotation	6-O-Veratroylcatalpol
Peak:m/z	Relative Intensity
69.09281	0.7
69.09679	3.9
79.01867	0.6
81.03465	0.7
83.01416	0.7
86.36890	0.5
95.01397	3.1
97.02957	0.6
107.01382	1.6
109.02953	0.8
111.00871	2.2
121.02954	0.6
123.00072	0.5
123.00903	10.5
123.04495	0.6
124.01661	1.8
125.01558	0.9
125.02465	15.4
126.90925	0.5
127.00376	0.9
135.04472	0.6
136.98799	1.1
137.02452	0.9
139.00407	4.1
139.04010	2.9
140.01134	3.1
141.01970	1.3
151.00305	0.7
153.01950	2.2
153.05504	0.6
163.03979	1.7
164.04750	1.0
165.01857	0.5
166.99866	4.3
168.00674	5.5
169.01442	23.0
170.01822	0.6
181.01425	0.8
182.02257	0.9
183.02997	11.5
195.02982	1.8
197.04547	2.3
274.01172	0.6
283.75586	0.5
287.68634	0.5
299.05496	0.6
302.07724	0.5
308.50568	0.5
313.76825	0.4
319.08224	0.7
331.08075	0.8
333.06259	3.4
347.07773	4.5
348.08502	23.0
349.08942	2.6
352.02856	0.6
362.10043	5.6
363.10873	100.0
364.11234	8.9
366.51788	0.6
525.16199	43.4
526.16388	5.0
545.01318	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	525.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79049	0.3
53.00634	0.3
53.54722	0.4
57.03455	3.3
59.01382	0.9
61.98832	1.9
65.00323	2.3
67.01888	1.2
68.99837	2.2
69.09985	3.0
69.10399	0.5
71.01408	0.6
73.02989	0.3
81.03473	1.9
83.01393	15.7
85.02962	0.9
88.98814	2.4
91.01881	0.5
97.03001	0.4
101.02477	0.5
107.01397	3.9
109.02951	4.9
111.00900	1.0
121.02962	0.5
123.00910	2.6
124.01672	4.3
125.02460	43.6
126.02808	1.0
130.46109	0.4
133.02951	0.4
137.02452	1.0
137.09721	0.7
138.03326	0.6
139.04022	4.1
149.02449	2.7
151.00386	17.1
153.01952	100.0
154.02286	2.8
160.50410	0.4
161.04514	0.5
163.04019	0.6
167.03490	0.9
168.00615	0.8
169.01414	2.8
169.02399	0.3
170.97708	0.4
177.01915	1.8
178.99886	5.7
181.08656	0.7
182.02264	0.7
183.02966	1.1
183.08838	0.4
183.10249	2.2
195.02960	1.7
197.00909	0.5
197.04526	1.9
197.11688	0.4
269.66705	0.4
301.03491	3.9
354.24683	0.4
453.17947	0.7
463.08865	3.4
481.17133	4.6
507.15222	0.7
509.89938	0.3
525.08221	0.4
525.15369	9.0
526.16748	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.7
61.98829	7.9
67.71825	0.8
69.07117	7.4
69.43443	0.7
71.01389	7.5
72.76964	0.8
72.99334	1.1
74.59704	0.7
79.01893	0.8
85.02927	1.4
89.02450	5.3
95.01375	2.3
101.02452	4.3
107.01384	3.2
109.02954	0.9
111.00877	2.1
113.02474	2.3
119.03519	2.3
123.00899	13.1
124.01738	1.3
125.02460	16.9
136.98764	1.3
137.02534	0.9
139.00389	4.9
139.03920	1.1
140.01160	2.8
141.01927	2.6
149.02570	0.9
151.00385	11.2
153.01938	0.8
154.32155	0.7
168.00635	3.2
169.01439	24.5
193.12410	1.6
211.02490	12.6
211.13445	0.8
212.02820	1.0
271.04578	13.6
313.05667	1.3
345.17270	1.0
373.18820	3.2
439.40305	0.9
477.15567	1.5
507.18591	10.4
522.30658	0.8
525.19824	100.0
526.20013	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41494	1.0
54.80006	1.0
55.01860	1.8
57.03437	3.4
59.01382	13.4
61.98839	5.1
66.37630	0.9
69.42282	5.6
71.01388	9.8
73.02937	3.8
81.03458	1.2
83.01397	7.3
83.05018	1.8
85.02967	4.7
87.00905	3.0
88.98807	3.7
95.01394	2.6
96.96031	1.3
97.02962	1.5
98.22576	1.9
99.00877	1.8
99.04541	1.4
101.02456	4.0
107.05013	1.1
111.00904	1.9
113.02460	3.5
119.08698	2.6
120.05773	1.2
121.02981	1.1
121.06614	1.2
123.00890	37.8
124.01675	91.7
125.02489	21.6
135.08168	4.4
135.11794	2.7
137.09737	17.7
137.99649	1.3
138.03239	3.5
139.04024	73.7
151.00391	4.6
153.01953	22.9
159.03033	1.0
161.04608	3.5
161.09738	5.6
163.07660	16.0
168.00604	1.5
169.01456	4.3
179.10764	6.5
181.08693	16.4
183.02994	1.5
197.11829	3.0
205.08806	2.6
210.08163	1.1
221.11865	1.1
223.09729	6.7
241.10880	2.0
265.10889	2.1
290.06094	1.1
301.09302	1.1
307.50009	1.0
323.14908	1.2
325.13083	1.8
385.15073	1.3
463.08817	1.1
481.17255	1.6
507.18832	3.4
525.19843	100.0
526.20319	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	525.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01379	1.9
59.21037	0.3
59.28180	0.4
61.98834	0.8
67.36324	0.3
69.03447	0.6
69.09058	3.3
70.68859	0.3
71.00636	0.4
71.01373	2.0
72.99265	0.3
73.02962	1.3
79.01979	0.3
82.95402	0.6
83.01387	1.5
83.05027	0.3
85.02962	1.5
87.04516	1.2
90.23911	0.3
95.05042	1.4
97.02987	0.9
99.00907	0.5
99.04493	0.4
101.02448	0.7
107.01436	0.4
107.05030	0.7
109.02963	0.7
109.06607	1.1
109.16086	0.4
111.00885	4.4
113.02454	0.9
120.05801	0.4
123.00897	1.4
123.04533	1.4
125.02475	4.5
125.06068	0.5
133.06587	0.5
135.08147	0.5
137.06134	0.9
139.00388	12.7
139.01443	0.8
140.01172	86.5
141.01994	3.8
151.00323	0.4
152.01169	0.4
152.99648	0.5
153.01945	1.8
154.02740	2.9
155.03517	100.0
156.03854	2.7
163.11299	3.8
165.02019	0.5
167.03534	0.9
168.00615	0.9
169.01450	4.2
181.12358	3.5
200.19464	0.4
207.03102	0.4
207.10297	1.7
219.13907	0.5
225.11328	9.4
226.11678	0.4
231.10246	2.1
239.12952	0.4
247.13477	0.6
249.11299	1.8
263.12827	1.9
267.12402	2.5
279.12378	0.6
285.06058	0.5
291.12408	7.7
303.07330	1.2
309.13522	1.0
317.08792	32.1
318.09052	2.1
327.21866	0.4
369.15643	2.6
370.33362	0.4
465.17746	3.4
466.18506	0.5
525.19788	24.5
526.20087	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	525.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
57.03455	0.6
59.01381	1.6
61.98824	1.3
62.95752	0.4
69.03451	0.7
70.79048	0.9
71.01370	2.0
73.02950	1.9
73.27431	0.4
75.53461	0.5
76.67214	0.5
78.95919	1.0
81.03464	1.6
82.95412	0.6
83.01403	1.3
85.02966	1.6
87.04554	1.0
88.98804	0.5
95.05022	1.2
97.02964	1.8
101.02444	1.2
107.05011	0.6
107.08660	0.6
109.02958	0.6
109.06623	1.5
111.00884	3.7
111.04504	0.4
111.47440	0.5
113.02430	0.8
121.02947	0.5
123.00913	1.5
123.04531	1.3
125.02450	6.8
135.04532	0.5
139.00389	11.6
140.01170	84.7
141.02008	4.0
153.01973	1.8
154.02728	3.0
155.03517	100.0
156.03850	2.6
161.09737	0.6
163.11299	3.7
168.00674	0.9
169.01474	6.4
181.12334	3.4
193.05029	0.4
207.10243	1.1
209.11823	0.8
225.11337	10.1
231.10310	1.6
249.11342	2.1
263.12903	2.1
267.12442	1.9
291.12411	8.1
303.07193	1.4
309.13550	0.6
315.04498	0.5
317.08801	27.1
318.09213	2.0
369.15662	2.6
465.17810	4.2
525.19775	25.9
525.28680	0.7
525.31494	0.9
526.20172	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	525.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.4
59.01385	0.6
61.98816	0.4
63.02398	1.7
65.00322	0.4
65.03950	1.4
67.01898	2.3
68.96882	0.4
68.99831	0.9
69.03459	3.5
70.60546	1.1
71.01387	9.3
75.30523	0.4
81.03466	74.1
82.03796	0.9
83.01398	4.1
83.05037	2.6
85.02969	1.8
89.03948	0.4
93.03487	0.7
95.05032	2.2
97.02963	8.5
97.47503	0.5
99.04526	5.0
105.78731	0.5
106.10192	0.4
107.01374	2.1
107.05025	4.9
109.02966	0.6
111.04571	0.4
125.02466	100.0
125.06087	2.5
126.02830	1.9
127.04020	1.2
135.04549	1.2
148.76474	0.4
151.04021	6.3
151.07668	1.4
152.04414	0.4
153.05606	2.0
177.05623	0.4
179.07135	1.2
197.04587	0.8
223.06165	0.7
241.07172	5.3
263.20172	0.6
265.21707	1.7
283.22842	1.7
309.24246	0.7
311.22330	3.1
337.23740	0.8
345.24640	0.4
423.31433	0.5
489.28354	0.5
507.29776	2.3
525.30743	8.3
526.30981	0.9
543.18640	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	526.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.1
62.54414	2.9
64.98737	2.7
78.22465	2.8
78.25500	2.4
86.80663	2.4
90.10740	2.4
92.13649	3.1
93.67682	2.5
94.94072	2.6
108.40242	3.1
125.02480	7.6
150.75407	2.5
151.00433	7.6
162.73735	3.0
169.01430	9.5
178.99864	4.9
193.59943	3.2
243.03053	10.2
243.59499	2.8
255.02881	14.6
271.02530	44.9
300.02792	80.1
301.03433	28.2
316.02289	12.5
332.56995	2.6
377.88947	3.3
411.42279	3.4
463.02319	4.8
463.08896	100.0
464.09076	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	526.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98835	28.5
62.60642	0.6
63.02373	2.7
63.99424	0.6
65.00342	4.4
71.01366	0.9
71.27386	0.8
83.01395	3.9
88.98794	1.4
93.03467	1.2
95.01392	0.7
96.24959	0.6
101.02449	0.7
104.14003	0.6
107.01395	13.7
109.02956	1.4
119.88073	0.6
121.02969	9.6
123.00854	1.6
124.01674	1.1
125.02470	4.8
126.02753	0.8
137.02498	0.6
139.08014	0.6
149.02446	2.0
151.00380	52.2
152.00740	1.2
153.01961	5.2
154.02327	1.2
166.99828	0.7
167.03503	0.7
168.00592	0.6
169.01486	4.0
177.02122	0.6
178.99876	23.8
182.02232	0.9
182.99362	0.7
183.02950	2.6
184.03375	1.1
193.01312	1.1
197.04520	3.4
198.04912	1.0
201.05795	0.6
203.03389	0.7
212.69321	0.6
213.16765	0.7
225.54726	0.7
229.05138	1.5
255.03098	1.1
257.04758	0.8
265.62967	0.7
271.02689	1.1
273.04013	2.4
300.02780	2.7
301.03549	100.0
302.03909	6.2
347.18692	2.8
351.06305	0.6
447.28006	0.6
448.56226	0.6
463.08862	78.0
464.09171	6.5
464.14828	0.8
509.86057	0.7
527.17340	1.6
527.25299	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	527.0502
Annotation	Quercetin 3-rhamnoside-3'-sulfate
Peak:m/z	Relative Intensity
50.19736	2.0
53.84854	1.8
55.13024	1.8
57.50343	1.6
65.00315	2.6
67.86260	2.5
69.49212	13.2
77.40561	2.5
84.27717	1.7
96.96041	2.4
99.48812	2.0
107.01427	2.9
121.11123	1.8
125.02445	6.6
135.02989	4.5
151.00394	19.3
153.01930	2.5
163.00362	4.2
169.01387	5.3
178.99831	7.9
204.55151	1.9
208.20285	2.0
227.03494	3.3
230.86525	1.8
243.02991	7.9
245.04597	2.9
255.03026	25.3
262.36432	2.1
271.02499	39.6
283.02423	2.6
300.02750	98.7
300.99973	3.9
301.03525	81.4
302.04144	5.1
380.98999	4.2
447.09357	100.0
448.09650	11.2
527.05090	57.8
527.17096	3.2
527.79718	2.5
528.05096	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	527.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67798	0.6
64.86818	0.6
67.01894	0.8
67.69566	0.6
69.70733	2.0
69.71100	1.1
71.01376	2.4
79.01900	1.0
81.03454	0.9
84.75184	0.6
85.02972	1.0
95.01393	1.0
95.99681	0.6
97.03008	0.7
101.02466	1.0
102.78472	0.7
107.01405	6.8
111.00896	1.7
113.02457	1.4
121.02943	0.7
122.03745	1.7
123.00903	8.4
123.04599	0.6
124.01702	0.8
125.02463	43.8
126.02796	1.9
127.00397	0.9
136.98776	0.9
137.02466	0.7
139.00369	3.2
140.01183	3.0
141.01973	0.9
149.02390	0.8
150.03250	18.1
151.00378	6.3
151.04002	3.1
153.01993	1.2
165.05585	15.2
165.06908	1.2
166.05952	0.6
168.00629	3.5
169.01442	62.6
170.01768	2.2
179.03603	0.7
183.02991	1.1
193.01326	0.7
211.02634	0.8
241.03711	0.8
241.74756	0.6
261.70959	0.6
304.25006	0.6
313.05682	20.7
314.05945	1.1
327.07248	1.0
527.14124	100.0
528.14465	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	527.1564
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
59.01387	0.5
59.47564	0.4
61.98832	0.7
65.00340	0.6
67.01875	1.0
67.33540	0.4
68.99780	0.5
69.11269	3.7
71.01405	0.7
72.99300	0.6
79.01907	0.7
83.01390	0.6
95.01401	3.1
97.03000	0.5
98.21742	0.8
107.01398	12.5
109.02955	1.9
109.28371	0.5
110.00108	0.4
111.00876	2.9
121.03002	0.7
123.00903	12.2
124.01689	4.6
125.02457	19.4
126.02806	0.7
127.00401	1.4
135.04536	0.7
136.01657	4.0
136.98842	3.0
137.02463	11.5
139.00377	4.7
139.04024	7.8
140.01170	4.3
141.01915	1.1
150.03258	1.4
151.00354	1.4
151.04022	4.6
153.01991	1.0
159.04520	0.9
160.05328	0.8
161.02368	0.6
161.06097	0.6
163.03998	0.8
165.05606	1.0
166.99857	3.4
168.00662	10.4
168.02007	0.9
169.01443	23.5
177.05586	0.7
181.01460	1.0
183.03009	27.2
184.03281	1.0
197.04597	0.9
222.75204	0.5
267.06506	0.6
300.99963	1.9
366.07233	0.4
471.73175	0.4
497.14285	1.3
512.13196	3.2
513.13544	0.4
527.15631	100.0
528.15942	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	527.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22943	3.3
59.01382	41.4
61.98821	16.3
66.03477	3.6
67.58239	4.2
71.01385	34.6
71.09489	3.1
71.26941	3.5
72.99297	4.3
74.05909	3.0
80.17451	3.8
82.02962	3.5
85.02946	8.1
88.98835	6.2
89.02445	38.9
92.05067	69.9
96.96042	3.6
98.02494	15.6
101.02453	34.5
101.37623	4.1
107.01445	8.2
110.02507	4.3
111.03271	5.1
113.02475	18.2
116.05093	22.3
119.03477	22.2
123.00865	6.9
125.02445	22.6
130.06662	4.3
131.03577	5.6
132.57469	4.0
136.04071	58.6
136.51250	3.6
143.04504	3.5
145.07718	4.7
147.04501	8.4
158.06190	3.6
160.04030	24.7
161.04509	6.7
164.07182	12.1
169.01442	35.3
171.05646	7.7
173.05710	5.1
173.07211	100.0
174.05632	11.2
174.07536	5.2
176.03560	4.5
184.06339	4.1
184.07701	21.7
194.09763	9.5
199.05128	45.0
212.05919	18.2
217.06187	6.2
218.04593	10.8
227.08240	6.3
246.07742	19.0
248.08760	4.3
260.10706	16.3
261.10162	4.7
275.51010	3.6
277.13452	6.1
285.10455	11.3
301.00003	16.5
302.00412	4.7
303.11462	53.6
304.11682	4.4
320.11404	3.9
321.12454	44.0
347.10342	87.1
365.11456	84.8
366.11682	9.5
383.12579	20.3
407.12622	5.5
420.13055	5.0
467.14749	5.8
481.04907	4.0
527.17157	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	527.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40595	1.9
61.98836	3.9
63.43204	2.1
68.21954	2.1
69.19112	17.4
71.01385	5.3
77.58910	1.8
83.01438	1.9
87.41515	1.9
93.71315	1.7
95.01382	2.6
96.96035	2.2
101.02463	2.4
103.61658	2.0
107.01420	2.4
121.02979	3.3
123.00874	3.4
124.01771	2.6
125.02471	28.2
135.04514	2.8
137.02495	2.9
140.01146	3.2
150.03265	5.5
151.00430	4.2
151.04083	3.2
159.04521	6.5
160.05287	14.8
161.06108	5.7
163.00375	2.7
163.04028	4.5
164.04857	4.5
167.03464	2.9
168.00690	4.3
169.01430	26.7
175.07669	11.1
177.05634	3.5
178.06436	4.2
193.08676	2.6
240.04419	2.3
267.22858	2.5
271.02393	4.1
278.06412	2.1
300.02713	10.3
301.03574	9.5
329.13959	100.0
330.14209	5.1
447.09372	13.8
491.19348	6.0
497.61389	2.4
527.04877	5.5
527.17902	18.2
528.05463	2.4
528.18536	3.9
537.26581	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	527.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66887	8.5
59.01371	17.0
61.98821	28.4
69.10654	17.9
69.11046	80.1
71.01372	21.4
88.98820	25.3
100.62951	9.9
110.76587	9.5
112.07224	10.7
123.00880	27.6
123.48262	9.2
125.02467	100.0
149.06136	11.5
151.03983	11.0
169.01443	84.4
266.05536	9.5
281.03766	9.1
314.05975	12.1
328.11993	24.6
359.15079	24.8
413.69104	10.7
464.12585	26.6
491.19171	41.3
509.17603	12.0
527.17145	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2137
Annotation	Dutasteride
Peak:m/z	Relative Intensity
57.03453	1.4
59.01383	22.3
61.98821	1.1
63.44899	1.2
64.91489	1.4
69.03434	1.4
71.01385	7.3
73.02941	5.4
83.01375	9.0
85.02968	1.8
87.04530	1.6
92.56431	1.1
95.01379	2.1
97.02962	1.8
98.21764	3.9
101.02438	3.2
105.37482	1.2
111.00895	2.0
113.02457	2.0
121.02960	1.3
121.10091	1.1
123.00903	56.0
123.04455	1.4
124.01681	86.0
125.02492	15.0
133.02953	1.7
135.04538	2.0
137.02505	1.8
138.03273	6.9
139.00392	2.6
139.04033	65.6
139.11293	16.7
140.04410	1.7
161.02486	9.4
165.09204	1.4
166.49097	1.2
169.01454	3.2
169.12334	2.3
179.03577	1.3
179.10712	1.5
181.12364	6.6
183.03090	3.0
183.10291	35.8
192.75768	1.2
194.31160	1.2
197.11809	1.6
201.83476	1.3
222.99937	1.2
225.11339	17.2
229.40648	1.5
229.42734	1.3
243.12398	11.5
249.11392	2.7
254.57527	1.1
263.12943	1.3
267.12308	3.2
291.12628	2.3
309.13757	1.7
321.84619	1.2
327.14578	4.0
365.16071	3.2
387.16577	3.0
450.39542	1.3
497.24414	1.4
509.20438	10.6
510.20480	1.5
527.21375	100.0
528.21619	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	527.2142
Annotation	Dutasteride
Peak:m/z	Relative Intensity
53.13147	0.5
53.30455	0.5
54.49337	0.5
58.00605	0.8
59.01387	15.7
67.01897	1.1
68.99819	0.8
69.03465	0.9
71.01390	10.2
72.99298	1.4
76.96278	0.6
77.35384	0.5
79.01902	2.2
81.03479	1.1
83.01398	1.5
85.02946	2.5
87.00884	0.8
89.02455	10.0
95.01382	2.3
97.00306	0.6
97.02963	0.8
99.00845	0.8
101.02457	8.7
107.01408	8.3
111.00883	3.6
111.44998	0.5
113.02472	3.9
119.03510	4.2
123.00900	14.9
124.01740	1.3
125.02462	32.6
126.02792	0.7
126.36988	0.5
127.00411	0.9
136.98807	2.7
137.42900	0.6
139.00400	6.2
140.01170	6.3
141.01932	1.4
151.00394	7.6
153.01939	0.9
154.99901	0.7
168.00658	3.7
169.01443	35.6
170.01633	0.6
195.13951	7.8
213.14973	4.0
229.56444	0.6
354.45398	0.6
375.20273	57.4
376.20593	4.8
388.17328	0.6
437.42044	0.7
485.93051	0.6
509.20340	0.9
527.21399	100.0
528.21716	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	527.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46652	0.6
59.01385	13.8
67.01864	1.1
71.01386	10.6
72.99310	0.8
73.02941	0.8
79.01898	1.2
83.01409	1.4
85.02963	2.4
87.00866	1.0
89.02448	8.2
89.39538	0.6
95.01397	2.4
96.80836	0.5
101.02448	7.3
107.01386	3.5
111.00896	2.1
112.32436	0.5
113.02483	3.6
119.03498	2.3
123.00887	15.0
125.02455	13.4
126.02718	0.6
127.00436	0.7
129.19838	0.6
136.98804	1.3
139.00386	5.3
140.01176	3.2
141.01974	1.6
143.86667	0.7
145.25905	0.5
147.16695	0.6
151.00366	8.6
168.00629	2.1
169.01433	15.0
195.13918	7.8
211.02466	2.3
213.14951	2.8
271.04642	1.8
313.05566	0.6
329.23260	0.8
357.19394	0.9
367.91403	0.6
375.20251	34.3
376.20752	2.8
437.04382	1.3
509.20511	2.8
527.21356	100.0
528.21631	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	527.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45064	0.2
57.17318	0.2
58.00912	0.2
59.01396	0.3
67.01876	0.2
69.03462	1.7
71.27686	0.3
76.95210	0.2
79.01901	0.4
81.03468	0.7
92.85693	0.2
95.01411	0.6
97.02943	1.3
107.01372	0.4
123.00895	0.4
124.01671	0.8
125.02458	57.9
126.02803	1.4
168.00655	0.5
169.01439	100.0
170.01772	3.0
178.21664	0.2
271.04532	0.2
313.05798	0.2
375.20224	0.6
434.79724	0.2
465.17572	0.4
506.62570	0.2
527.21411	3.0
527.29211	0.1
528.21729	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	527.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14740	1.6
55.01869	2.2
57.03450	3.4
58.00595	5.3
59.01384	90.6
61.98825	4.2
69.03471	10.7
71.01389	93.5
72.99305	6.1
73.02945	13.4
75.00895	3.8
81.03463	4.7
83.01398	6.4
85.02956	12.7
87.00892	1.9
89.02455	100.0
95.01391	2.6
97.02956	15.1
98.21906	6.9
98.22597	3.8
99.00887	22.1
99.04525	4.3
99.18977	1.5
101.02458	20.5
113.02455	10.7
115.04034	11.1
122.03767	5.9
125.02463	55.7
127.04029	3.5
131.03513	12.9
135.04509	2.1
136.05309	2.7
137.02409	1.7
143.03490	4.0
149.04576	18.1
149.05995	8.0
150.06854	5.3
151.07658	3.8
161.04567	4.5
164.04799	2.3
166.01917	1.6
169.01479	2.0
191.05635	12.3
218.13214	2.9
232.14728	6.1
233.06673	49.0
233.15475	33.3
247.13368	2.5
293.08826	51.4
311.21014	1.8
527.24744	5.1
542.90466	2.2
545.00354	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	527.2504
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
58.00579	0.5
59.01357	1.8
60.99286	1.7
69.00298	3.6
71.01372	0.8
83.01118	0.4
88.98818	3.0
89.02430	1.2
98.21846	1.0
101.02470	0.7
104.54284	0.4
122.18134	0.4
125.02447	0.7
137.02374	0.5
139.03995	0.7
212.20612	0.4
217.10881	0.5
239.18103	0.8
248.95779	0.5
303.19684	69.1
304.20023	4.7
317.21179	0.7
319.19162	0.8
347.18680	6.2
365.19708	100.0
366.20016	8.8
407.20749	13.5
408.21268	1.1
527.25085	27.4
528.25549	3.4
536.39752	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	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
59.01387	13.6
69.90701	2.0
69.91073	8.1
71.01389	25.0
72.99304	6.9
75.00875	19.1
83.01402	2.0
85.02960	33.5
87.00877	10.6
89.02444	8.3
92.81140	1.8
95.01381	9.2
99.00889	15.2
103.00383	4.4
113.02459	44.1
117.01971	3.0
129.01985	2.6
137.88577	2.0
157.01381	2.2
175.02472	7.1
205.07332	4.0
208.32031	1.5
223.08081	1.6
245.46277	1.8
249.06166	11.3
267.07297	13.7
277.21762	73.0
278.22073	6.2
509.27252	4.9
527.28680	100.0
528.28839	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	527.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39710	0.4
57.03453	15.0
59.01369	0.6
61.98835	0.7
63.02402	2.0
65.00337	0.5
67.01878	1.3
68.99823	0.5
69.03455	4.5
69.16870	1.3
69.17282	2.7
71.01387	8.1
71.09776	0.4
81.03463	69.0
82.03799	1.2
83.01384	3.4
83.05026	2.8
85.02946	1.6
93.03477	1.0
94.13184	0.5
95.05044	2.5
97.02955	7.5
98.21819	1.0
99.04525	5.0
107.01409	1.8
107.05034	6.1
109.02983	0.9
111.04538	0.8
125.02458	100.0
125.06052	2.3
126.02793	2.5
127.04009	1.4
127.14841	0.4
135.04498	0.9
151.00368	0.6
151.04027	7.5
151.07632	1.5
153.05598	1.4
158.25238	0.4
169.01384	1.4
197.04541	1.0
197.08266	0.6
223.06183	0.9
228.72066	0.5
241.07199	4.9
265.21826	0.6
285.24377	2.4
298.24631	0.5
311.26096	1.0
313.23804	3.9
339.25381	0.8
365.16074	0.9
405.07736	0.9
465.17752	0.8
491.29837	0.6
499.85858	0.6
509.30829	2.4
527.32391	9.2
528.32330	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	528.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30611	1.6
57.30877	1.5
59.01381	2.2
61.98840	18.1
69.03457	1.9
69.31258	6.0
69.31664	5.3
71.01379	5.1
78.95906	3.7
101.02433	2.3
107.01407	8.7
107.05046	1.6
111.00921	1.9
113.02443	2.0
123.00908	8.6
125.02467	58.1
126.02780	3.3
137.02481	7.3
139.00385	2.1
144.04474	1.6
146.80208	1.7
151.00378	5.1
151.04022	15.7
161.02495	1.8
167.03592	3.9
168.00694	3.9
169.01448	75.8
170.01775	4.2
197.04558	1.9
199.11072	1.7
211.00340	1.7
264.12360	1.6
271.02408	2.2
301.03256	2.3
313.05685	21.6
377.18109	2.0
447.09457	3.4
465.10428	100.0
466.10831	8.1
528.18256	2.1
529.12927	2.0
529.19775	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	528.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.4
59.01391	3.4
60.88207	1.6
61.98839	11.1
65.03957	2.2
69.03466	3.3
70.12177	6.3
71.01368	1.9
72.09074	1.8
76.54620	1.8
81.03461	14.3
83.01392	2.2
83.05099	2.6
100.39697	2.1
107.01418	2.7
111.00872	2.5
123.00912	4.2
125.02465	84.9
126.02824	15.8
139.00395	3.1
140.01180	7.6
141.22943	1.7
155.03543	3.4
156.03946	2.8
168.00659	4.4
169.01451	100.0
170.01773	33.0
171.01997	2.4
211.02501	19.2
236.27422	1.6
255.03018	3.3
271.04623	25.0
283.02457	1.9
352.17621	1.6
465.17703	56.4
466.18219	5.0
502.37387	1.7
528.21753	5.1
529.33807	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	529.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48537	0.3
71.27655	0.6
78.95911	1.4
79.95747	3.8
96.96019	100.0
122.00469	0.3
203.17747	0.3
227.03493	1.0
229.05066	0.4
255.02950	2.0
284.03369	2.1
285.04102	1.9
383.00714	0.7
431.09872	4.4
432.10098	0.4
438.60651	0.3
497.72809	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	529.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.9
59.80893	1.6
63.18134	1.7
66.22499	1.9
67.19141	1.6
69.12270	16.1
69.12611	2.8
80.91698	15.1
107.01414	2.3
108.04532	3.9
121.35465	1.6
124.04089	1.7
125.02463	9.6
135.04526	2.6
136.04076	5.8
145.02963	4.9
148.04053	1.8
150.05637	4.3
151.00392	12.8
160.04124	4.0
162.01974	3.7
163.00397	3.1
163.02789	18.2
169.01468	16.4
170.01744	3.3
176.03551	4.9
178.05110	100.0
178.99883	4.6
222.04088	65.2
227.03537	3.6
243.02942	6.2
255.03021	19.6
271.02521	30.8
272.03027	2.5
300.02771	59.6
301.03549	46.0
302.03745	3.4
307.08371	2.6
331.19131	2.2
341.01459	2.7
348.04376	1.8
349.19131	1.8
377.18277	3.3
378.81766	2.3
383.02692	10.9
384.09586	3.8
447.09369	85.3
448.09790	6.2
485.13757	1.9
485.21082	2.2
529.07233	2.7
529.19031	2.8
530.12952	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	529.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00288	0.9
59.01382	2.3
69.03452	0.9
71.01380	2.5
73.60844	0.8
83.01399	1.2
85.02932	1.0
89.02402	1.4
89.24200	0.9
91.04453	0.8
93.03490	1.0
101.02444	1.5
107.01414	4.1
109.02976	1.6
111.00880	2.0
121.06612	4.0
123.00898	3.3
123.04552	1.0
124.01701	2.5
125.02468	27.9
130.21812	0.9
136.98763	1.1
137.02422	3.6
139.00359	2.7
139.03999	0.9
140.01149	2.7
149.02440	1.2
151.00412	2.5
153.01984	1.0
165.01952	1.8
166.02679	1.2
167.03494	3.0
168.00644	12.4
168.03949	0.9
169.01456	32.4
170.01730	1.0
177.01949	1.7
211.02507	54.7
212.02879	2.0
241.03535	1.3
242.56886	0.8
271.04636	100.0
272.05051	4.5
331.06747	26.0
332.07144	1.1
363.22034	0.9
475.12262	1.7
529.15460	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	529.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01371	2.9
61.98823	0.9
67.59541	0.5
68.45726	0.4
70.04923	0.4
71.01378	1.4
71.27051	0.5
72.99267	0.5
83.01385	0.6
85.02995	0.5
89.02442	0.8
96.96030	0.9
101.02464	1.0
103.22171	0.4
107.01393	3.2
111.00909	1.9
114.42101	0.5
121.06628	3.3
123.00879	3.2
124.01710	1.9
125.02464	23.2
126.02792	0.7
127.00410	0.9
132.10130	0.4
136.98778	1.3
137.02472	0.7
139.00426	2.3
139.04002	0.5
140.01184	2.4
145.03024	0.5
151.00380	2.1
151.03998	0.6
152.01137	0.7
153.01964	0.5
165.01956	1.0
167.03490	2.8
168.00659	9.6
169.01445	30.4
170.01790	0.8
177.01935	1.7
193.01288	0.6
211.02504	46.5
212.02852	2.1
241.03517	1.1
255.03140	0.5
262.90979	0.5
271.04617	100.0
272.04926	4.1
275.02054	0.4
312.29065	0.5
322.50635	0.5
331.06738	20.3
332.07126	1.3
529.15698	10.4
530.16138	0.7
542.54913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67876	0.2
59.01383	1.8
71.26490	0.6
79.95744	2.3
83.01422	0.3
86.45945	0.3
93.96732	0.2
96.96024	100.0
125.02463	1.4
138.97069	0.5
139.04016	0.4
169.01448	1.6
209.11960	0.3
219.18799	0.3
225.14914	0.3
227.12878	1.3
241.00180	0.3
259.01312	4.0
267.63696	0.3
269.14005	0.3
287.15024	3.7
309.79877	0.3
367.10779	4.2
449.20261	0.5
500.38089	0.3
529.16010	14.7
530.16443	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	529.1724
Annotation	Isoswertisin 3''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
50.12448	0.8
51.19785	0.8
59.01371	0.8
61.98824	3.4
67.01882	2.3
68.98881	9.5
69.03461	1.1
71.01363	1.7
72.99312	0.8
79.01877	2.9
84.72964	0.8
86.08219	1.0
93.03489	1.4
95.01405	10.0
97.02959	2.5
107.01359	2.2
108.02174	3.2
109.02951	2.4
111.00868	4.8
119.05013	0.9
121.02966	3.0
122.03754	3.7
122.04545	0.8
123.00906	51.3
123.04551	4.0
124.01653	3.6
125.02466	26.9
127.00402	1.9
133.02956	1.3
134.03722	2.1
135.04501	1.8
136.01743	1.2
136.98813	3.2
137.02489	4.0
138.03207	0.9
139.00412	15.7
139.03972	1.9
140.01204	6.5
141.01979	5.0
145.02966	2.2
147.04408	1.0
149.02473	8.8
150.03236	23.7
151.00391	2.6
151.04091	5.3
153.01973	1.9
154.99960	1.2
158.65384	0.9
161.02400	1.0
164.04816	1.7
165.05594	14.9
166.99879	19.3
167.03491	1.1
168.00641	10.7
169.01454	36.8
170.01749	1.2
178.99942	1.0
180.04335	1.7
181.01462	1.8
182.02197	1.9
183.03046	8.7
187.01768	0.7
194.99391	3.2
195.03056	1.6
195.06691	1.2
197.04535	1.0
228.67963	0.9
289.07272	2.4
300.02942	1.0
302.08167	1.5
303.08682	3.0
314.07953	3.6
315.08847	1.6
317.06671	14.3
318.07446	12.1
319.08139	2.1
329.14032	2.3
331.08252	12.3
332.09045	85.8
333.09753	19.2
345.09579	1.5
347.11414	18.4
372.08658	1.2
375.10959	1.1
387.10919	23.8
388.11349	1.8
405.11987	5.5
481.15088	24.9
482.15363	2.8
493.15201	11.4
494.15817	1.4
511.16168	39.3
512.16919	4.3
529.17188	100.0
530.17590	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	529.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45321	1.6
61.98830	27.7
62.73917	1.7
65.05368	1.9
65.30029	2.6
67.01904	2.5
70.79839	5.1
71.01398	1.8
79.01891	2.7
81.62691	1.8
95.01407	7.8
107.01334	3.2
108.02177	3.1
109.02965	1.8
109.11945	1.7
111.00893	4.1
112.44013	1.7
115.94758	1.9
118.06004	1.8
121.02995	2.4
122.03784	4.5
123.00900	44.8
123.04550	3.5
124.01655	5.0
125.02444	19.9
126.79006	1.7
137.02492	3.6
137.26759	1.6
139.00392	15.5
140.01196	6.7
141.01945	6.5
146.03766	1.9
149.02495	11.0
150.03229	33.6
151.00417	2.4
151.03979	6.4
164.04796	2.8
165.05585	24.3
166.99866	25.3
168.00603	11.4
169.01453	31.8
178.24574	1.8
180.04280	5.0
183.02989	7.0
192.23897	1.8
194.99275	3.3
195.02975	2.5
197.04617	2.2
206.36969	1.7
241.05161	2.3
245.53366	1.8
274.05011	2.0
289.07089	2.2
302.07928	2.4
303.08661	4.2
314.08151	2.5
317.06732	14.7
318.07468	13.4
331.08377	14.2
332.09024	100.0
333.09702	27.3
347.11371	13.4
348.11234	2.6
387.10852	17.0
405.11630	3.8
481.15039	31.0
482.15405	5.1
493.15057	17.7
494.15369	2.4
511.16159	53.7
512.16431	8.1
529.17200	72.8
530.17456	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	529.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77680	0.5
57.03461	0.7
59.01376	2.4
61.98827	1.4
69.03453	1.3
69.21465	1.8
69.21889	2.9
69.25320	0.5
71.01394	1.7
72.99294	0.6
78.95877	0.6
81.03473	0.7
89.02464	0.9
93.03490	0.9
94.94151	0.5
95.01387	1.6
97.02953	1.4
99.00870	0.7
99.04531	0.7
101.02441	0.7
107.01408	6.9
111.00883	2.4
113.02415	0.7
119.03471	0.6
121.02969	5.0
123.00874	4.4
123.04540	0.6
124.01642	2.9
125.02460	71.8
126.02799	1.2
127.00345	0.7
135.04573	0.7
136.98836	1.5
137.02429	1.1
139.00363	3.5
139.04027	1.1
140.01193	3.8
141.01971	0.7
149.02472	1.1
150.03258	1.5
151.00407	2.9
153.01993	0.6
165.05640	1.3
166.06375	16.8
168.00655	4.3
169.01443	100.0
170.01744	3.5
173.04640	1.1
181.01466	0.7
181.08685	4.0
183.02989	5.2
227.13969	1.0
265.78366	0.6
271.05801	0.6
294.91513	0.7
300.99966	1.2
317.06693	1.2
344.14691	0.5
347.07794	15.4
348.08035	0.8
461.47733	0.6
529.17181	54.1
529.26007	2.4
530.17621	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	529.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08079	1.0
56.28749	1.0
57.03440	3.6
59.01388	10.3
61.88246	0.9
61.98850	5.0
69.03476	1.7
71.01394	10.6
71.12689	0.9
73.02940	4.3
79.01905	1.0
79.82343	1.0
83.01395	1.6
85.02964	3.3
87.00853	1.7
88.98807	3.1
89.02452	4.5
95.01408	2.2
99.04524	1.5
101.02441	6.2
107.01393	4.1
108.29301	0.9
109.02965	1.0
111.00898	2.7
113.02439	2.9
119.03517	2.0
123.00895	13.6
124.01676	1.9
125.01543	1.7
125.02459	31.4
126.02804	1.2
135.04556	4.9
136.98865	1.0
137.02480	3.4
139.00380	3.7
140.01160	3.7
141.01936	1.4
151.00377	5.7
153.01894	1.2
161.02448	2.8
161.04587	1.2
167.03537	1.5
168.00671	1.6
169.00014	1.6
169.01442	27.3
169.12434	1.3
177.02055	1.1
179.03508	8.7
197.11813	3.1
211.02492	2.0
215.12903	13.1
304.57071	1.0
313.05640	4.2
315.01477	1.0
341.16058	1.2
359.07361	1.1
359.17078	2.2
367.20578	1.2
377.18219	44.3
378.18610	2.4
427.03610	1.1
511.18063	4.4
529.19299	100.0
530.19604	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	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25938	1.5
57.03453	80.6
57.73252	1.5
58.00604	2.0
59.01385	74.0
69.13032	1.4
69.16938	10.1
71.01392	37.2
71.23286	1.8
72.99316	2.1
73.02951	31.7
79.05533	1.7
81.03462	3.0
83.01382	9.8
83.05036	22.0
84.78486	1.5
85.02969	9.1
87.00887	2.8
89.02457	20.1
93.26331	1.4
95.01401	2.5
95.05039	1.4
97.06638	1.7
98.22349	5.0
99.04527	100.0
100.04898	2.5
101.02451	65.0
107.01368	1.5
111.98814	1.5
113.02466	24.2
113.06110	3.2
119.03517	12.8
121.06596	4.4
123.04536	23.5
125.02464	54.9
125.19450	1.3
126.02769	1.8
131.03500	3.3
133.26649	1.4
134.51393	1.3
136.80191	1.4
141.05605	2.9
143.03535	12.0
149.04567	10.6
153.05627	4.1
155.03503	1.8
161.04565	32.4
169.01424	11.1
179.05605	14.3
205.12396	3.7
221.06660	9.2
224.07567	1.9
229.01302	1.6
247.02469	1.5
263.07745	6.8
314.74905	1.9
323.09882	14.1
329.12222	2.9
364.18753	1.7
485.24023	3.1
529.23041	19.7
530.02856	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	529.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.9
61.98822	2.0
62.46304	0.8
70.19067	0.9
71.01376	4.3
74.23707	0.9
85.02948	1.7
89.02446	6.2
93.82852	1.0
101.02454	6.1
107.28989	1.0
113.02456	3.4
119.03560	1.7
161.04582	2.9
195.13933	8.7
223.13412	5.1
253.09314	29.1
254.09738	1.0
256.13287	2.0
275.20160	6.0
293.21259	100.0
294.21655	6.6
335.15454	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	529.3025
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
59.01376	16.8
63.64335	5.1
71.01407	26.4
71.03349	10.9
71.71115	5.8
72.99319	8.6
75.00882	15.6
85.02968	32.3
87.00883	6.7
95.01369	11.1
99.00903	12.3
103.00442	6.2
111.00829	5.4
113.02479	35.9
149.79312	5.3
249.06134	9.5
255.23454	10.6
267.07190	9.3
279.23361	92.8
280.23499	7.1
480.31104	12.5
529.30219	100.0
530.30835	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	530.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
59.01384	0.5
69.14730	3.3
69.15325	0.4
94.03008	1.0
96.96002	0.4
104.86076	0.4
107.05024	0.7
108.04581	3.0
117.03486	1.9
119.05040	1.4
122.06164	1.2
124.04054	1.1
132.04536	1.0
135.04535	4.9
136.04048	3.9
145.02968	5.3
148.03960	1.0
150.05615	3.9
160.04045	5.1
162.01979	2.9
163.02771	17.7
163.03912	0.6
167.03476	0.5
169.01407	0.9
176.03564	5.4
177.04211	1.2
178.05110	100.0
179.05466	3.7
204.03027	1.7
221.53758	0.4
222.04085	80.1
223.04472	3.5
307.08200	3.7
308.08957	0.4
349.37848	0.4
366.08524	0.7
384.09381	4.0
404.65860	0.4
484.74115	0.4
486.14276	0.6
512.66309	0.4
529.65057	0.4
530.05658	0.7
530.13092	8.6
531.13086	1.3
531.86407	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	530.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50186	8.0
68.48631	7.0
69.73338	33.7
78.95914	14.9
85.43876	7.1
110.91601	8.5
113.05827	7.6
224.44902	7.4
255.23314	100.0
279.23196	8.7
280.23511	11.3
303.74106	8.4
480.31046	60.1
513.22327	9.8
530.30615	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	531.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14049	2.0
69.14450	0.6
76.88754	0.2
78.99467	0.3
79.95741	2.7
80.83459	0.2
96.13435	0.2
96.96018	100.0
98.22508	0.5
114.07129	0.3
125.02442	1.0
134.53523	0.3
151.00336	0.7
169.01505	1.4
169.02629	0.3
227.65654	0.3
255.03026	0.5
271.02530	1.1
300.02832	1.6
301.03436	1.4
399.00262	1.8
433.07959	2.0
534.48138	0.3
540.51965	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	531.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75076	2.5
65.00330	93.0
71.25539	5.4
74.04651	2.7
108.99334	3.4
109.07298	3.1
136.98827	26.8
144.09724	2.7
154.99884	100.0
156.00169	3.3
159.04478	2.7
169.01384	5.2
175.04079	3.6
184.43771	2.9
198.98848	56.1
203.03503	4.4
209.03091	3.2
223.04648	3.3
231.02939	5.3
247.02516	6.4
249.03967	4.1
275.02039	15.8
289.74261	3.5
293.03122	6.6
301.00116	19.8
331.06827	3.4
481.05960	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	531.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	16.0
65.93548	1.4
69.08207	6.7
69.08640	6.3
70.51682	1.5
88.98816	89.5
97.02975	1.5
109.02989	6.6
111.00901	1.5
123.04556	4.3
125.02465	49.0
126.02894	1.5
137.02440	5.8
145.03020	1.8
149.02422	1.9
151.04042	3.2
161.06136	3.1
168.00665	1.8
169.01443	100.0
170.01823	2.0
193.01436	3.8
203.07210	4.2
205.05029	2.7
245.08218	5.0
271.06097	5.3
289.07233	36.8
290.07571	1.8
303.05075	1.7
331.04800	2.1
441.08289	34.3
442.08743	3.1
444.23209	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	531.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58420	1.2
63.01803	1.3
71.27680	1.9
125.02443	3.7
130.78539	1.5
136.01627	1.6
151.04071	1.5
153.01877	2.2
242.99298	3.3
270.98868	21.4
298.98373	27.3
299.01746	2.7
299.99124	100.0
300.99536	4.7
312.99826	2.3
314.00720	11.1
315.01495	72.1
316.01804	2.6
411.03873	1.7
471.05688	3.8
489.06873	3.1
513.27136	1.7
531.07764	55.5
532.08203	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	531.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23310	0.8
53.01896	0.8
53.04071	0.7
61.98825	1.0
68.99524	5.8
68.99944	3.2
71.01379	1.9
76.84372	0.9
80.99110	0.9
83.90434	0.7
85.02953	1.1
92.51297	0.9
101.02466	0.9
108.58442	0.8
125.02473	1.2
147.37030	0.8
200.01184	1.1
242.99408	2.7
244.00203	1.7
270.95892	1.0
270.98859	21.0
283.99762	1.2
298.98349	19.8
299.99127	100.0
300.99542	5.6
301.03046	1.2
314.00729	10.6
315.01486	90.0
316.01791	3.5
471.05933	2.4
489.06689	2.0
531.07831	44.1
531.28357	1.6
532.07733	4.3
544.79443	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	531.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96484	1.6
59.01353	3.7
61.98835	2.7
71.01395	5.4
71.26735	2.6
85.03011	2.6
87.84421	2.1
89.02461	2.7
92.06021	1.8
94.65784	1.8
96.59188	1.8
101.02443	3.8
108.02193	3.0
113.02477	2.3
118.09994	1.7
125.02441	2.2
151.00412	5.3
169.01440	2.1
172.61333	2.0
178.99942	1.9
206.75793	1.7
243.02977	10.6
247.87572	2.1
254.02324	2.4
255.03014	25.9
270.98981	8.9
271.02496	58.5
272.02847	4.0
298.98453	8.8
299.01743	2.3
299.99185	25.1
300.02780	100.0
300.99954	2.6
301.03491	21.8
314.00812	9.1
315.01505	14.5
489.10394	8.6
531.12189	35.5
531.28259	6.1
532.12030	4.1
544.85803	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	531.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33843	0.5
52.47771	0.6
64.42812	0.5
67.90741	0.5
70.31097	1.0
70.31492	1.6
71.01367	1.7
79.36385	0.5
82.97060	0.5
85.02979	0.7
89.02499	0.5
91.90040	0.5
93.03439	0.7
95.01400	0.7
96.52901	0.5
96.96022	8.4
98.95610	5.6
98.96450	0.9
99.92593	2.0
101.02441	0.7
111.00881	0.8
112.98545	0.6
115.03970	0.6
115.92114	2.9
116.92856	4.7
121.02988	0.9
123.00902	0.8
123.04530	0.6
124.01662	0.6
125.02447	4.7
127.27325	0.5
132.02174	7.0
133.03003	4.6
134.03754	48.8
135.04448	1.2
137.02451	9.7
139.04021	2.7
144.32196	0.5
149.04895	0.9
149.06107	14.4
150.03241	1.3
150.06427	0.6
158.11510	0.5
160.01672	28.6
161.02383	2.1
168.00723	0.8
169.01448	5.8
175.04024	26.3
176.04381	0.8
178.02730	32.6
179.03192	1.5
183.40933	0.7
191.03372	0.6
192.04297	1.3
193.05072	100.0
194.05414	3.3
207.06627	0.7
217.05106	0.7
221.04735	0.6
259.11804	0.6
289.07303	0.6
321.35385	0.6
323.07791	5.9
335.05811	0.9
337.09308	33.9
338.09662	2.0
380.77695	0.5
403.05231	0.6
531.15332	9.2
532.15393	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	531.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54194	2.4
59.01111	3.9
59.01387	19.8
60.37127	3.1
60.99304	13.5
61.98857	5.1
64.10361	2.6
70.22990	9.9
71.01392	11.8
72.07877	2.9
73.02968	3.0
79.59492	3.0
82.95465	5.0
85.02979	6.9
88.98814	100.0
89.02463	10.3
96.96008	4.9
97.27685	2.9
98.21861	3.8
101.02441	7.3
119.03492	3.3
123.00901	8.4
125.02473	16.9
134.20966	2.8
151.00417	7.7
169.01414	24.3
177.03979	4.4
193.25479	3.4
207.13951	4.0
214.09955	2.9
242.99368	3.8
247.09468	3.1
269.13873	6.8
270.98846	43.4
285.00616	7.9
286.01379	5.3
297.00574	3.7
298.98337	56.0
299.99097	58.3
300.99579	8.7
312.99957	8.9
314.00681	37.5
315.01520	34.4
348.40237	3.4
424.10593	3.6
441.17639	67.5
442.17902	7.2
471.05835	6.1
531.07813	91.8
531.24744	13.0
532.08203	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	531.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54992	0.8
53.75834	0.7
57.03455	84.6
58.03783	1.2
59.01387	99.6
60.01736	1.0
61.98835	0.9
69.03457	0.9
71.01388	22.1
71.05018	1.4
72.99317	1.5
73.02964	6.0
74.11522	0.8
78.32224	0.9
81.03453	2.6
82.95431	15.1
83.01398	2.6
85.02956	8.1
89.02460	8.5
95.01377	1.8
95.05043	0.9
97.02968	2.0
98.22031	4.6
99.00888	2.9
99.04531	100.0
100.04892	2.2
101.02456	33.0
111.04527	1.4
113.02479	9.8
119.03532	3.6
123.00932	1.1
125.02460	52.3
126.02848	1.4
131.03523	0.9
138.06888	12.1
139.07423	1.0
143.03508	4.0
153.01930	0.8
153.09229	36.1
154.09573	1.3
159.03036	1.1
161.04591	10.9
165.12880	1.8
169.01456	9.4
179.05638	1.3
182.53221	0.8
185.07507	0.9
191.05641	1.4
207.13853	4.1
225.14990	55.1
226.15366	2.2
265.32318	0.9
271.02551	1.0
300.99930	2.0
369.19147	10.0
369.23389	1.0
370.19650	1.0
387.20285	25.0
388.20413	1.5
429.21298	15.4
429.59052	0.8
430.21884	1.2
430.91107	0.9
431.19086	1.3
469.24689	2.5
487.25430	2.0
502.81961	1.0
531.24451	12.0
532.25244	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	532.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91056	1.7
53.04079	1.8
61.98834	11.4
63.75022	1.5
67.17538	1.6
68.99300	18.3
71.01409	2.8
77.97959	1.6
86.05862	1.6
107.01402	5.9
111.00871	3.0
111.24583	1.7
115.06670	2.0
123.00890	4.5
124.01653	2.7
125.01540	2.7
125.02463	50.9
127.00386	2.2
137.48442	1.6
139.00392	13.9
140.01180	34.4
141.01854	1.7
141.04970	1.6
144.31847	1.7
146.08241	1.7
151.00360	4.0
153.01938	2.6
154.02681	2.8
155.02260	2.9
155.03525	49.3
167.03477	2.7
168.00650	4.9
169.01451	61.2
177.01836	3.8
178.02446	1.8
211.02461	2.2
216.30711	1.5
247.58472	1.6
271.04504	2.0
300.99835	3.4
313.05740	10.0
317.08649	3.9
407.08698	1.7
453.10461	2.1
469.09933	100.0
470.10284	8.2
532.16888	10.9
533.94763	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	532.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16560	1.0
54.16807	1.0
56.22883	1.0
57.03454	2.4
59.01384	15.6
61.98843	6.2
66.03454	1.0
68.99799	1.1
69.03438	1.5
69.55775	6.6
71.01389	10.0
72.99302	1.9
73.02939	3.0
79.01910	1.2
81.03448	1.4
83.01402	1.6
85.02962	3.4
89.02444	3.9
95.01403	4.6
96.96027	2.4
97.02954	2.0
101.02451	5.9
107.01400	20.3
109.02971	1.2
110.00116	2.3
111.00896	5.8
113.02460	3.2
121.03023	1.2
123.00911	24.7
125.02465	63.5
126.02831	1.4
127.00395	1.3
129.19315	1.2
131.03749	1.4
133.55878	1.0
136.98805	3.1
137.02443	1.6
139.00407	8.5
140.01167	4.6
141.01936	2.9
151.00391	11.4
161.02502	1.2
161.04546	6.2
165.99106	1.7
166.99811	2.7
167.03500	1.1
168.00647	3.8
169.01443	96.7
170.01750	2.7
178.99869	1.7
179.03569	1.3
179.05650	2.3
191.03476	1.5
203.03441	1.4
211.02615	1.1
214.99825	1.7
217.01334	1.4
229.01479	1.9
245.00856	1.5
270.01587	2.1
271.02457	3.1
273.00351	1.8
275.01920	2.3
287.01987	4.1
299.99194	2.8
300.99927	13.8
302.00061	2.9
316.02197	6.8
317.03012	1.3
323.55118	1.1
355.06766	7.6
364.73712	1.4
400.24332	2.2
446.10910	1.4
452.03036	1.8
452.53458	1.7
488.12042	100.0
489.12119	10.3
497.16672	1.5
532.28467	1.8
533.09576	4.7
533.29956	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	532.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.1
61.98849	1.0
69.19064	0.8
87.11251	0.9
136.99814	0.8
209.11720	0.8
215.02116	1.1
226.01454	1.0
270.00433	18.7
271.00851	0.8
292.19449	0.8
297.99963	13.7
299.00714	68.6
300.01099	2.9
312.01434	1.2
327.03473	0.8
369.08521	18.0
370.09323	100.0
371.09674	8.1
447.18140	0.7
532.14667	83.4
533.14948	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	532.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.6
61.98825	0.8
66.87460	0.7
69.00822	8.1
71.01390	29.9
71.05024	5.7
73.02957	1.3
80.27864	0.7
82.48763	0.8
83.01385	1.6
85.02970	2.9
88.04037	4.7
89.02451	7.2
94.16447	0.9
94.74544	0.9
95.01450	1.2
98.22548	1.9
99.04547	2.3
101.02454	6.0
107.01401	2.5
111.00822	0.9
113.02448	3.5
116.03510	0.9
119.03513	1.7
121.03001	0.9
123.00917	6.0
125.02463	16.8
126.02779	1.0
128.07205	2.7
139.00377	1.4
146.08247	65.8
147.08609	1.6
151.00377	3.0
161.04599	1.8
168.00682	2.0
169.01439	16.4
169.02811	1.1
170.01779	1.3
177.01920	1.4
200.09348	1.7
210.05307	0.8
211.02496	1.5
213.89040	0.9
218.10349	1.3
225.07719	1.1
263.11310	1.4
271.04498	1.1
300.99973	1.9
308.13562	5.8
313.05746	1.2
362.14709	1.6
380.15656	69.3
381.15823	4.9
415.12589	2.5
429.25610	1.1
460.14630	6.5
465.51785	0.9
514.15747	3.2
532.16779	100.0
533.17084	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	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84667	0.2
58.19221	0.2
63.02383	0.4
65.00316	0.7
65.88059	0.2
68.96410	0.6
68.96829	1.5
83.01382	0.4
91.01921	0.3
107.01395	1.6
109.02951	0.4
124.01682	3.3
125.02483	0.3
135.00877	0.7
136.01648	0.7
137.02478	1.3
139.00436	0.2
148.01691	0.4
151.00380	4.8
152.01186	1.0
158.03809	0.2
160.93718	0.2
161.02473	0.4
163.00362	1.3
164.01169	2.0
165.01958	0.3
169.01431	0.3
175.03969	0.4
177.01837	0.2
178.99875	5.5
185.02495	0.3
187.03951	0.4
188.04726	0.2
189.01920	0.4
191.09160	0.2
192.00600	0.3
199.03972	0.9
201.01923	0.2
203.03543	1.6
204.04300	0.9
207.72321	0.2
213.01981	0.4
214.02733	7.4
215.03409	1.4
216.04190	0.2
227.03505	1.0
229.01399	0.3
231.02943	0.5
232.03804	0.5
241.01451	0.7
242.02223	6.3
243.02971	5.5
244.03545	0.5
245.01068	0.2
255.02988	0.2
258.01611	0.2
259.02472	7.9
259.22888	0.2
260.02927	0.5
265.78391	0.2
269.98788	0.4
270.01721	7.7
271.02493	43.2
272.02872	2.3
287.01981	26.2
288.02539	2.7
299.02081	0.3
300.02768	0.4
301.03384	0.4
315.01340	0.9
316.02243	100.0
317.02756	10.1
318.03323	0.2
324.71097	0.2
421.05463	0.2
428.74600	0.2
473.07272	0.3
475.08600	0.5
491.08389	2.5
492.08725	0.4
501.07407	0.2
533.09399	37.4
534.09698	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	533.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71149	0.4
59.50859	0.5
61.92156	0.4
65.00336	0.5
69.08710	3.6
73.05943	0.5
96.23198	0.5
98.22530	0.9
100.88127	0.4
107.01389	1.7
109.02984	0.6
123.00887	0.4
124.01672	2.8
125.02367	0.7
135.00896	0.6
137.02440	0.9
151.00386	4.8
152.01137	1.5
161.02411	0.4
163.00412	1.9
163.33795	0.4
164.01210	2.0
165.01979	0.5
169.01419	0.5
178.99864	7.4
185.02528	0.8
187.04065	0.6
192.00545	0.6
193.01408	0.4
198.03278	0.4
199.04082	0.5
203.03552	0.6
214.02734	6.2
215.03476	0.8
227.03539	1.1
231.03012	0.4
231.14146	0.4
232.03769	0.5
241.01547	0.6
242.02231	5.1
243.02995	3.8
244.03523	0.5
259.02496	6.7
270.01712	8.2
271.02505	42.6
272.02866	2.6
287.01996	24.0
288.02536	2.9
299.02020	0.9
300.02753	1.2
301.03748	0.7
315.01599	0.9
316.02255	100.0
317.02829	11.4
475.08810	1.3
491.08463	3.4
533.09412	42.2
534.09650	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	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01388	4.1
60.27070	0.4
60.72725	0.4
61.98839	2.7
63.02404	1.1
63.12296	0.5
65.00311	2.3
68.99819	0.9
70.66607	1.2
71.01397	1.0
71.12885	0.5
73.02946	1.0
78.42337	0.4
81.99016	0.4
83.01400	1.5
85.02971	1.3
89.02415	0.4
90.73438	0.4
95.01423	0.8
96.96021	0.9
101.02472	0.6
107.01406	2.8
110.00100	2.5
111.00895	1.5
113.02469	1.2
123.00873	1.1
125.02472	1.2
135.00925	0.7
137.99623	1.1
139.00398	3.1
143.05042	0.5
147.04491	0.7
149.02385	0.8
151.00385	8.5
152.01080	0.5
154.02478	0.4
155.05023	0.9
157.02983	0.8
159.04535	1.5
161.02409	1.5
163.00375	1.4
164.01166	6.4
165.99107	4.0
166.99940	0.8
169.01460	1.5
171.04581	1.4
173.02391	0.7
175.04036	1.4
178.99922	1.2
183.04517	1.7
185.02516	1.4
187.00380	1.1
187.04044	1.1
189.02003	0.9
190.99828	0.5
194.96976	0.4
199.04048	3.7
201.01953	12.3
202.02374	0.9
203.03514	6.5
215.03549	1.6
219.02997	0.5
227.03519	7.0
229.01410	0.9
231.02998	6.8
232.03438	0.7
239.14775	0.4
243.03027	5.4
244.03561	0.5
255.03033	4.3
257.01041	0.7
270.01526	0.9
271.02502	83.0
272.02817	5.0
275.02014	0.5
287.02005	2.2
288.02478	0.6
298.01175	1.0
299.01996	100.0
300.02335	7.4
300.99805	1.2
301.03250	0.9
308.14502	0.4
316.02264	20.6
317.02921	6.1
318.02982	0.5
533.09412	8.5
534.09442	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	533.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
61.98829	2.0
65.00324	1.3
72.99315	0.7
73.02947	8.3
73.50198	0.6
73.64565	0.7
83.01402	1.0
84.95114	1.4
85.02956	1.2
95.01398	1.2
96.58171	0.7
98.21810	1.6
103.04024	11.6
107.01397	3.6
108.02219	1.5
109.02954	1.1
120.45653	0.7
121.02949	2.0
123.00906	1.6
124.01669	1.6
125.02454	7.3
134.03741	1.9
135.00938	0.8
137.02406	1.4
143.55222	0.8
148.01695	2.0
151.00386	6.6
161.02435	1.1
163.00333	2.2
163.04031	1.3
164.01134	1.6
169.01424	8.7
178.02718	1.2
178.99866	5.5
193.05148	4.6
199.03989	2.3
201.01910	0.7
203.03520	1.2
211.03818	1.2
214.02716	2.5
215.03433	1.6
226.02779	1.0
227.03528	4.4
229.01456	1.3
242.02249	2.4
243.03004	13.6
245.04492	0.8
254.02298	1.6
255.02989	26.4
256.03516	1.0
259.02438	2.5
270.01703	2.5
271.02478	73.6
272.02948	5.7
273.00598	1.2
275.02039	0.9
279.33435	0.8
287.01996	9.1
288.02560	1.6
299.01990	14.6
300.02762	100.0
300.99921	1.8
301.03397	19.5
316.02240	36.8
317.02698	3.7
384.71817	0.9
429.08414	5.4
447.09262	1.3
503.12018	7.9
504.12198	1.0
515.11969	26.7
516.12421	2.3
533.12488	26.8
533.29584	1.2
534.12683	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	533.144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
61.98832	2.1
69.03477	1.8
69.08959	9.5
71.01379	2.0
74.66738	1.0
85.02986	1.4
85.61125	0.9
88.98824	1.3
89.02454	1.5
95.01427	1.3
96.96036	1.2
98.22165	4.9
101.02490	1.3
107.01433	1.8
109.99414	0.9
110.00085	5.2
111.00893	2.9
123.00906	3.3
125.02464	60.9
126.02837	2.1
136.98909	1.2
137.53171	1.0
137.99644	1.7
139.00349	7.6
151.00330	1.9
165.99083	6.2
166.99924	2.4
168.00655	1.7
169.01445	100.0
170.01796	5.3
178.99928	4.1
188.97534	1.0
194.99361	1.3
199.04076	1.6
201.02032	1.5
208.00214	1.5
219.85564	0.9
227.03607	1.3
242.02205	2.8
243.02957	2.3
255.03227	1.2
259.02576	1.5
270.01767	3.5
270.81281	1.0
271.02496	16.5
272.02557	1.4
287.02020	15.3
288.02744	2.2
299.01907	1.2
300.02737	1.5
300.99948	4.6
301.03162	1.2
302.00220	1.5
316.02237	39.2
317.02930	10.2
347.17072	1.2
410.97766	1.2
452.52832	1.2
475.09213	2.5
489.12372	6.4
491.08429	2.0
497.16544	11.8
533.09357	24.8
533.29395	1.4
534.09863	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	533.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03951	0.9
52.28232	0.8
55.01881	1.3
57.03420	1.0
59.01382	7.4
68.99825	0.9
71.01036	1.2
71.01389	16.5
71.04241	0.9
71.26328	0.8
72.99321	6.2
73.02950	2.0
75.00883	10.0
75.29456	0.8
83.01383	2.5
85.02961	13.1
87.00894	2.6
89.02447	3.7
95.01399	3.1
99.00890	13.8
101.02429	5.4
107.66158	1.2
109.21664	1.0
113.02460	7.3
114.21382	0.9
121.02976	100.0
122.03289	3.6
125.02413	2.0
129.01953	1.5
137.02461	3.0
139.00389	1.4
154.07295	0.9
157.01398	4.0
161.04529	2.0
169.01501	2.8
191.01970	2.0
193.01540	1.6
237.00458	1.9
297.65152	0.9
337.07724	3.1
411.11484	19.3
533.15106	60.2
534.15479	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	533.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18064	0.6
55.01899	0.7
57.03460	1.2
59.01385	5.4
68.99816	1.2
71.01391	16.2
71.26650	0.8
72.99302	1.5
73.02944	3.0
75.00488	1.1
75.00882	11.3
83.01418	3.6
85.02962	10.8
87.00877	1.7
89.02449	2.9
95.01401	3.9
99.00899	15.2
101.02454	7.3
103.18600	0.7
113.02473	6.0
119.03532	0.9
121.02970	100.0
122.03298	2.2
125.02464	0.9
129.01976	0.9
139.00371	2.1
141.72849	0.9
157.01430	2.9
158.32835	0.6
161.04610	1.6
163.59816	0.7
168.78543	0.7
180.19348	0.6
186.49231	0.7
191.02008	1.1
213.04033	0.9
228.74036	0.8
231.05122	0.7
241.48059	0.7
335.07608	1.0
337.07901	2.6
338.84647	0.7
353.08951	0.9
370.27560	0.8
411.11487	39.2
412.11859	2.2
533.15137	48.4
534.15656	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	533.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	98.1
58.69604	2.8
59.01382	36.8
61.98824	4.2
69.09820	22.9
69.10225	4.9
70.04675	3.0
71.01381	3.1
81.03468	4.2
93.03463	66.4
99.04529	90.4
101.02463	13.1
107.05036	3.7
110.02417	3.4
121.02972	58.0
125.02474	37.6
137.02473	61.6
141.72292	3.3
143.03561	3.6
169.01480	5.3
192.39072	3.1
197.06113	10.5
227.07146	100.0
228.07530	7.2
255.14224	3.2
264.19031	3.3
281.06659	18.7
289.21823	4.3
300.99887	5.2
308.15582	3.0
333.20804	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	533.1671
Annotation	Amurensin
Peak:m/z	Relative Intensity
57.03460	13.3
59.01387	13.5
61.98809	3.5
66.01324	2.0
71.01392	6.1
71.27007	2.8
85.02995	1.9
87.00919	2.6
88.98814	2.1
89.02451	2.8
95.01385	2.4
96.96022	2.2
99.04545	15.4
101.02450	8.4
119.05028	2.6
121.02999	7.4
123.04565	2.9
125.02473	24.9
145.02962	7.1
147.04471	3.9
148.05350	4.0
150.12936	2.4
151.04033	2.7
161.02446	2.1
163.07672	2.5
165.01865	2.7
169.01443	8.3
170.01851	2.2
176.05013	2.3
191.03494	6.6
191.07117	10.4
220.03728	3.3
223.07635	4.0
235.06134	3.8
239.07169	5.5
249.05598	4.5
251.07143	13.5
253.08530	2.3
262.06433	3.9
263.07242	5.3
264.07983	3.6
265.08560	2.3
266.05951	7.0
267.06668	29.4
268.07352	4.1
277.05145	3.6
278.06104	3.2
279.06726	22.9
281.08276	5.9
282.08990	14.4
293.08432	3.1
294.05386	16.5
294.08981	6.0
295.06036	9.5
297.11365	5.3
308.06732	2.8
309.07794	19.9
309.11240	3.1
310.08023	3.0
321.07684	3.1
322.08386	6.5
323.05585	16.1
323.08942	3.2
326.07986	13.2
327.12354	5.3
337.07242	3.0
338.08011	34.5
341.10333	78.3
342.10611	7.8
353.10352	100.0
354.10617	8.7
371.06662	4.7
371.11374	75.4
371.20737	4.4
372.11624	4.7
389.21567	3.4
533.16656	17.7
533.24500	3.0
534.16339	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	533.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	13.3
59.01387	13.5
61.98809	3.5
66.01324	2.0
71.01392	6.1
71.27007	2.8
85.02995	1.9
87.00919	2.6
88.98814	2.1
89.02451	2.8
95.01385	2.4
96.96022	2.2
99.04545	15.4
101.02450	8.4
119.05028	2.6
121.02999	7.4
123.04565	2.9
125.02473	24.9
145.02962	7.1
147.04471	3.9
148.05350	4.0
150.12936	2.4
151.04033	2.7
161.02446	2.1
163.07672	2.5
165.01865	2.7
169.01443	8.3
170.01851	2.2
176.05013	2.3
191.03494	6.6
191.07117	10.4
220.03728	3.3
223.07635	4.0
235.06134	3.8
239.07169	5.5
249.05598	4.5
251.07143	13.5
253.08530	2.3
262.06433	3.9
263.07242	5.3
264.07983	3.6
265.08560	2.3
266.05951	7.0
267.06668	29.4
268.07352	4.1
277.05145	3.6
278.06104	3.2
279.06726	22.9
281.08276	5.9
282.08990	14.4
293.08432	3.1
294.05386	16.5
294.08981	6.0
295.06036	9.5
297.11365	5.3
308.06732	2.8
309.07794	19.9
309.11240	3.1
310.08023	3.0
321.07684	3.1
322.08386	6.5
323.05585	16.1
323.08942	3.2
326.07986	13.2
327.12354	5.3
337.07242	3.0
338.08011	34.5
341.10333	78.3
342.10611	7.8
353.10352	100.0
354.10617	8.7
371.06662	4.7
371.11374	75.4
371.20737	4.4
372.11624	4.7
389.21567	3.4
533.16656	17.7
533.24500	3.0
534.16339	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	533.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.7
59.01382	13.3
61.98825	9.1
61.99306	2.5
62.36690	2.7
66.77511	2.6
69.11603	24.7
71.01373	9.0
85.02976	3.2
89.02446	11.1
89.59149	2.9
101.02464	5.9
108.02197	10.2
109.02959	3.2
116.05087	3.6
123.01009	3.0
123.04528	9.6
125.02438	15.6
134.03777	3.9
135.04497	3.7
137.02365	2.8
144.68271	2.7
145.02881	3.6
150.03154	5.7
151.00337	3.6
159.04663	2.6
160.04056	100.0
160.05371	6.0
161.02470	4.5
161.04417	51.2
165.05544	3.7
169.01425	4.6
175.04042	3.6
193.01434	9.6
193.05072	3.1
195.06729	6.3
204.03014	9.3
205.03381	3.8
221.88553	2.6
223.07727	3.4
251.07083	16.5
251.09344	5.7
263.07181	7.5
264.07788	3.9
279.06622	21.8
294.09036	6.0
295.06192	9.7
295.72687	3.3
296.06528	3.5
310.08307	3.9
319.04657	4.9
321.07458	3.0
322.08344	9.0
323.05585	20.9
323.08972	5.2
338.07520	17.6
339.08170	3.3
353.06805	3.8
353.10327	76.1
354.10599	5.6
362.22690	3.1
366.09744	10.2
413.14700	4.5
529.89374	2.8
533.18817	23.4
533.28839	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	533.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57640	41.9
59.01377	59.9
66.72916	45.2
71.27243	37.2
71.27679	75.4
99.59769	43.3
128.87807	50.2
129.75145	45.4
149.02438	42.2
152.38974	43.2
206.97780	42.3
263.98401	47.3
316.01331	57.6
338.79883	45.4
472.17603	89.7
533.08441	100.0
533.20184	94.0
533.29419	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3127
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
55.24551	1.0
57.03447	4.1
59.01358	1.5
69.03470	17.1
71.01398	18.7
71.28822	1.3
83.01367	1.3
83.05032	3.0
85.06615	1.6
93.03448	1.3
95.05046	7.0
97.02980	5.3
97.06630	1.2
106.66920	1.1
109.06593	1.3
123.04562	1.8
123.08209	1.3
125.02441	3.1
129.50401	1.0
151.64102	1.0
152.99648	1.4
163.14995	1.1
178.30504	1.2
229.09193	1.3
229.11378	1.3
331.26517	5.4
333.24271	1.7
347.25845	1.7
355.26682	2.7
373.27545	7.6
375.25565	3.5
383.26080	1.6
399.29517	1.6
401.27042	3.8
417.26404	2.1
427.28461	1.8
467.25339	1.2
515.30402	1.8
533.31268	100.0
534.31622	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	533.958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07090	1.2
70.78487	1.0
70.81310	1.2
71.26089	2.2
78.95892	2.3
87.15368	0.9
87.92538	100.0
88.23695	1.0
88.98824	7.1
103.92036	20.7
104.92802	6.0
105.93602	16.3
106.94337	1.1
119.91531	8.6
123.93803	2.2
123.94659	32.8
126.94443	1.4
143.91537	1.8
149.92628	1.8
160.91791	12.3
163.63309	1.1
177.92093	1.8
187.90503	22.1
227.87663	2.5
231.89474	48.2
232.89885	1.9
270.85837	4.7
315.85468	3.0
317.02005	1.3
343.70914	1.3
375.97644	1.2
441.74353	1.2
443.96027	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	534.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46669	1.0
57.03442	5.9
60.75817	1.3
61.98828	5.8
69.10240	10.3
87.41888	1.1
96.96014	1.7
97.72979	1.2
98.95627	1.8
104.78755	1.1
107.92406	1.1
121.02999	2.4
123.00909	1.4
123.04546	2.2
123.24106	1.2
124.37262	1.3
125.02463	100.0
126.02806	1.4
133.02959	1.7
137.02457	2.1
149.02458	2.1
151.04027	6.5
161.02467	18.0
162.02950	1.3
164.01189	4.8
165.01845	7.1
167.03500	1.3
169.01433	29.1
183.04530	1.6
197.04570	1.7
201.05699	1.2
225.05605	1.7
227.03516	1.8
241.05075	1.5
243.06729	1.7
258.92596	1.1
269.04639	4.7
287.02570	2.4
287.05658	35.3
288.05997	3.5
301.07190	2.0
303.05078	6.6
313.03452	3.8
319.08286	10.5
439.06512	2.4
450.06577	1.5
457.07886	1.2
465.12454	1.2
471.09451	17.3
522.77173	1.3
534.93390	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	534.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74337	3.3
52.69865	3.6
57.03451	7.4
57.12751	3.5
59.01387	51.7
61.98826	12.3
69.01509	39.3
71.01387	43.5
72.99329	4.5
79.19698	4.0
85.02946	8.0
88.98809	4.4
89.02462	64.6
91.01562	3.8
96.96022	17.9
101.02472	21.9
109.02953	6.5
113.02457	22.0
119.03516	28.5
121.02969	5.4
125.02457	17.9
137.02530	6.6
149.04602	5.5
149.82274	3.5
150.03249	13.9
151.00330	5.7
159.04520	16.9
162.03224	4.5
163.37642	4.6
164.01132	4.4
164.71703	4.4
169.01335	5.1
175.03934	4.8
177.05560	15.8
178.99857	5.5
179.05661	5.9
195.06677	6.6
201.01945	6.2
203.03445	4.1
214.02657	4.5
231.03123	4.3
242.02119	7.3
243.02968	9.1
259.02484	14.1
270.01532	6.0
271.02469	38.4
272.02905	15.9
283.09760	9.4
287.01993	32.1
295.09729	5.3
296.10544	14.2
299.02032	11.1
299.49496	3.7
300.02383	16.8
311.09326	16.5
311.12921	56.8
312.13147	5.4
315.01526	43.7
315.04965	7.0
316.02304	100.0
317.02798	16.0
318.03189	4.1
326.11624	14.1
330.03812	16.6
331.04636	58.8
341.13913	15.4
475.08942	19.5
493.09671	12.7
520.08667	5.5
527.20587	4.2
534.09717	9.2
534.20593	6.6
535.10913	85.7
535.29480	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	534.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57023	2.8
57.03441	10.1
59.01386	12.9
60.51874	2.3
67.01893	3.0
69.01629	5.2
69.02029	21.5
70.43826	2.7
71.01367	10.6
72.99274	2.8
83.01375	10.5
85.02964	3.5
89.02453	7.4
96.96043	5.1
98.95612	5.1
99.92584	5.4
100.92596	3.0
101.02457	3.4
107.01372	5.1
109.03001	4.2
119.53176	2.5
125.02464	100.0
134.03761	2.9
139.04080	4.3
145.02916	3.1
149.02509	6.9
151.00439	14.7
151.04041	3.0
153.01949	54.7
160.01672	4.1
167.03473	3.6
169.01379	7.5
175.04044	7.4
193.05089	5.0
195.02994	8.1
200.22252	3.3
210.05316	9.4
211.05589	6.0
225.07678	9.1
226.07956	9.5
227.03415	3.2
244.03349	4.1
271.02542	7.7
272.03064	3.4
276.68381	2.9
281.08328	2.8
299.01990	6.4
299.09219	2.7
300.02515	9.7
301.03268	4.7
311.09283	4.3
325.10861	3.1
337.09409	4.2
341.13651	4.4
343.04504	9.8
344.12695	14.5
354.95007	11.6
355.95706	5.1
359.15039	33.3
373.09241	11.1
382.94363	4.4
383.95303	7.2
433.07483	3.0
436.42789	2.9
454.97952	3.1
463.12643	6.3
491.19284	60.4
492.19147	6.8
534.00610	41.1
534.17786	7.7
535.00336	4.9
535.19244	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	534.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.1
71.01386	23.4
71.26834	8.1
85.02936	8.9
89.02470	24.9
96.96017	22.6
109.02976	10.4
125.02478	70.4
137.02495	6.9
147.04514	14.1
151.04028	11.1
159.04509	6.9
160.05354	8.4
169.01436	26.9
175.07582	8.6
190.81142	6.6
243.89658	7.3
245.77092	7.2
279.06448	7.9
287.05960	9.6
308.99484	7.9
313.10867	10.7
329.13943	33.2
344.12674	23.6
355.11853	7.8
359.14944	54.7
471.38492	9.1
478.86374	7.2
491.19275	100.0
492.19360	9.3
535.18054	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	534.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43679	0.8
58.02982	5.6
62.17628	0.8
62.62688	0.7
72.00920	1.3
74.02484	12.3
78.79173	1.0
81.04570	1.0
82.02999	0.8
85.02963	1.1
85.47953	0.9
86.02482	5.1
87.05636	3.0
91.89058	0.7
98.22510	2.6
99.05659	10.5
101.07227	1.9
107.06177	0.9
109.04021	1.0
123.05638	1.6
124.04012	1.3
125.02470	1.1
125.03601	1.3
127.05168	2.1
128.03561	31.0
135.05658	3.9
141.06720	2.6
143.04637	41.3
145.06154	1.3
146.04645	4.3
153.06708	3.6
160.00754	11.4
165.29117	0.9
166.09952	1.3
167.04622	3.5
167.08289	2.2
169.01439	0.9
171.07738	0.9
177.03384	4.6
179.04651	9.7
181.06181	1.3
197.05675	1.3
209.11934	1.0
210.08865	8.8
228.09830	1.1
242.07747	0.9
254.07825	13.1
272.08911	17.8
284.90842	0.9
288.06641	7.3
300.99686	1.2
306.07675	100.0
307.08087	5.0
375.94412	0.9
463.08743	0.9
481.08920	0.9
528.18842	0.9
534.21118	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	534.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31656	4.0
56.42472	3.8
57.28505	3.4
71.27257	6.4
71.34149	3.7
72.64097	4.1
77.17603	3.9
78.30228	3.7
78.95930	4.7
83.29981	3.7
105.28819	4.0
120.49844	4.5
132.42297	3.5
137.19542	3.5
139.18268	3.9
164.02664	3.4
173.06242	4.0
279.23337	100.0
401.90155	3.6
476.27859	25.1
534.23816	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	534.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37540	2.9
69.64842	15.4
77.45118	2.9
80.10585	3.1
80.79897	3.0
90.65257	3.3
133.94023	3.2
164.83698	3.8
195.08804	3.4
195.82332	4.0
248.75002	3.0
253.09290	18.0
255.23297	100.0
256.23627	4.9
270.33994	3.4
294.87784	3.7
417.55023	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	534.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38584	4.1
56.41432	3.9
61.98838	5.0
70.64204	11.7
146.82744	4.3
163.11325	76.0
164.11732	5.0
196.89357	6.0
219.46895	4.4
226.44315	4.5
249.67212	4.9
358.21817	9.1
374.81570	4.0
410.54755	5.3
534.33868	100.0
535.33905	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	535.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01397	4.8
61.95951	0.8
61.98815	2.7
69.46635	1.8
69.47044	3.4
71.01382	2.0
76.59661	0.9
89.02432	1.9
95.81183	1.0
96.96002	1.1
99.04607	1.0
101.02454	1.8
107.01422	2.4
109.03006	1.5
119.03534	0.9
124.01622	1.8
125.02452	5.8
137.02449	1.9
150.03232	2.1
151.00404	6.4
152.01097	1.0
161.02382	1.0
162.03226	2.7
163.00356	2.4
165.05557	1.5
169.01471	4.3
171.04576	0.8
177.01848	1.0
177.05539	3.1
177.22815	0.8
178.99898	4.7
187.04036	2.8
192.73245	0.8
195.06627	1.8
199.03986	1.7
201.01985	1.5
201.21140	0.8
201.22917	0.9
201.44656	0.8
202.08542	1.0
203.03500	5.3
203.94586	0.9
214.02730	3.6
215.03490	4.8
217.01498	0.9
231.02957	5.9
242.02222	3.5
243.02982	8.1
244.09801	0.8
259.02509	15.5
260.03201	1.1
270.01788	5.9
270.67383	0.8
271.02509	39.0
272.02908	2.7
287.02023	35.0
288.02457	2.8
300.02631	0.9
301.03351	1.1
315.01511	57.0
316.02234	100.0
317.02780	9.3
323.83057	1.0
327.11926	0.9
329.03122	3.9
330.03809	19.8
331.04620	71.8
332.04980	3.5
342.14569	1.9
373.05441	1.1
412.64844	1.1
446.09497	1.0
460.06485	1.7
475.08987	14.7
476.09393	1.0
478.07941	1.3
493.09872	11.4
494.10138	1.4
520.08734	6.2
535.10986	87.2
536.11279	7.5
564.20807	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	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93489	0.5
56.67756	0.5
57.03189	0.7
57.03454	9.7
59.01375	1.6
65.00329	1.9
67.01888	1.0
68.99818	1.4
71.01385	1.2
71.27244	0.9
75.56676	0.5
81.03461	1.3
83.01397	11.0
85.02953	0.9
89.02458	0.9
95.05029	0.4
97.02937	0.8
98.95611	0.4
101.02477	0.6
107.01390	3.7
109.02964	3.2
111.00892	1.1
121.02950	0.8
122.03814	0.6
123.04446	0.7
124.01699	0.8
125.02460	100.0
126.02789	2.6
132.02185	2.1
133.02959	1.2
134.03751	3.0
135.04567	0.6
137.02457	0.9
139.04059	1.8
147.04506	0.5
149.02461	8.4
149.06104	0.5
150.02892	0.4
151.00377	14.8
151.04016	1.1
152.00867	0.5
153.01953	54.0
154.02275	1.2
160.01674	9.7
161.02467	1.3
163.04088	0.4
166.02660	0.5
167.03557	1.8
169.01440	4.0
175.00488	0.5
175.04037	9.7
177.02000	1.0
178.99886	2.1
179.03505	1.1
183.03177	0.5
189.18233	0.4
190.02681	1.1
191.03510	0.8
191.07201	0.6
193.05038	2.5
195.03040	0.8
205.05185	1.0
205.08835	0.9
261.93433	0.4
295.08295	2.4
300.02838	0.8
300.99860	1.3
306.63821	0.5
315.05142	1.4
329.14163	0.5
337.09332	5.7
339.47086	0.5
343.04602	1.3
358.07236	0.7
373.09296	3.3
402.99246	0.8
405.73337	0.5
463.12543	8.0
491.12350	0.8
492.19855	1.1
499.19159	0.7
517.09802	0.8
535.00616	2.0
535.18347	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	535.1102
Annotation	Laricitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03443	1.8
59.01397	4.8
61.95951	0.8
61.98815	2.7
69.46635	1.8
69.47044	3.4
71.01382	2.0
76.59661	0.9
89.02432	1.9
95.81183	1.0
96.96002	1.1
99.04607	1.0
101.02454	1.8
107.01422	2.4
109.03006	1.5
119.03534	0.9
124.01622	1.8
125.02452	5.8
137.02449	1.9
150.03232	2.1
151.00404	6.4
152.01097	1.0
161.02382	1.0
162.03226	2.7
163.00356	2.4
165.05557	1.5
169.01471	4.3
171.04576	0.8
177.01848	1.0
177.05539	3.1
177.22815	0.8
178.99898	4.7
187.04036	2.8
192.73245	0.8
195.06627	1.8
199.03986	1.7
201.01985	1.5
201.21140	0.8
201.22917	0.9
201.44656	0.8
202.08542	1.0
203.03500	5.3
203.94586	0.9
214.02730	3.6
215.03490	4.8
217.01498	0.9
231.02957	5.9
242.02222	3.5
243.02982	8.1
244.09801	0.8
259.02509	15.5
260.03201	1.1
270.01788	5.9
270.67383	0.8
271.02509	39.0
272.02908	2.7
287.02023	35.0
288.02457	2.8
300.02631	0.9
301.03351	1.1
315.01511	57.0
316.02234	100.0
317.02780	9.3
323.83057	1.0
327.11926	0.9
329.03122	3.9
330.03809	19.8
331.04620	71.8
332.04980	3.5
342.14569	1.9
373.05441	1.1
412.64844	1.1
446.09497	1.0
460.06485	1.7
475.08987	14.7
476.09393	1.0
478.07941	1.3
493.09872	11.4
494.10138	1.4
520.08734	6.2
535.10986	87.2
536.11279	7.5
564.20807	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	535.1823
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
57.20001	0.6
71.01361	1.0
71.26825	1.0
85.02903	0.7
108.01492	0.8
108.02180	13.3
109.02970	7.5
119.03439	0.8
121.02931	1.1
123.00935	0.7
123.04546	13.6
125.02413	3.0
135.04465	1.5
147.00020	0.7
147.04501	1.2
149.06013	1.9
159.04500	6.0
160.05333	1.2
161.02390	0.6
161.06017	1.6
167.08452	0.6
169.01430	1.9
173.06075	1.7
175.07549	1.2
189.05527	2.7
190.05006	0.9
190.06383	10.9
191.06865	1.6
205.08702	17.8
224.08366	1.6
227.07098	1.1
235.07672	0.7
241.05026	2.2
243.06693	4.1
251.07120	1.5
252.07928	21.0
253.08273	1.3
255.06657	2.0
256.07263	1.1
267.10236	8.8
267.12839	1.2
269.08224	3.9
270.08713	0.7
270.94424	0.7
271.09686	0.7
273.11496	0.7
281.08078	1.5
282.08878	1.1
283.09766	5.2
284.10452	1.4
296.10431	0.8
297.11160	1.2
299.09253	10.6
299.12561	1.3
301.00217	0.9
312.09891	3.9
313.10785	4.1
314.11606	16.9
315.11877	1.5
329.13913	12.7
361.34393	0.6
373.12939	100.0
374.13293	7.8
391.03946	0.7
535.18298	34.7
536.19244	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	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43951	0.5
61.98829	0.4
66.00349	0.5
69.60966	2.3
71.01370	1.7
83.01365	0.5
85.02972	1.0
89.02451	0.6
93.03463	0.4
93.22175	0.5
98.21864	0.9
101.02457	1.3
107.01372	1.1
108.02163	2.3
109.02963	4.6
119.05007	0.5
121.02969	4.1
122.03738	1.4
123.00899	1.2
123.04542	2.5
124.01640	0.7
125.02450	5.4
134.03741	1.8
136.05333	1.1
137.02452	1.5
146.03688	0.9
147.04532	8.9
148.05336	3.8
149.02438	1.9
149.05969	0.7
150.03241	7.1
151.03958	0.9
158.03722	2.6
159.04530	7.4
160.05315	21.3
161.02419	0.8
161.06094	13.8
162.03233	0.7
162.06853	1.4
163.04034	5.3
164.04794	4.1
168.04236	1.0
169.01472	3.6
173.06038	2.1
175.07657	16.6
176.07916	0.6
177.01971	0.5
177.05566	5.1
178.06406	4.5
192.07967	0.6
193.05051	0.7
193.08728	1.4
221.08131	0.6
226.35197	0.4
268.07388	1.8
269.08188	1.3
283.09851	2.0
284.10550	6.0
299.12860	7.0
300.13098	0.9
300.99924	0.9
314.11551	0.6
320.12408	0.5
329.13971	100.0
330.14340	8.4
373.12939	5.6
374.13406	0.9
449.27280	0.5
491.19254	2.1
502.49744	0.5
523.53180	0.5
528.43628	0.5
535.17889	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	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78978	0.7
59.01385	4.4
66.53152	0.7
67.63340	0.6
71.01383	3.2
72.03973	0.8
82.95391	0.7
83.38270	0.6
85.02935	1.0
86.97855	0.7
89.02448	3.8
89.05851	0.6
91.54009	0.7
101.02414	1.9
108.02179	4.6
109.02951	6.0
113.02464	1.2
117.15711	0.6
119.03531	1.8
119.41375	0.8
121.02962	3.5
122.03754	1.0
123.00932	1.0
123.04530	3.7
125.02374	1.2
126.47020	0.7
129.03477	1.4
134.03712	1.4
135.04529	0.7
136.05275	0.9
138.03188	1.1
141.24529	0.6
146.03754	3.9
147.04541	40.7
148.05194	2.2
149.02443	2.0
149.06059	0.9
150.03271	4.7
151.03964	0.8
158.03746	3.8
159.04544	16.0
160.05328	20.7
161.02521	0.8
161.06126	8.3
162.06866	1.1
163.04018	3.8
164.04836	11.5
168.04282	0.7
169.01379	1.1
173.06068	3.5
175.07664	21.0
176.07965	1.4
177.05588	5.5
178.06339	5.6
192.07881	1.2
193.05037	2.5
193.08730	1.5
239.07141	1.1
251.07112	1.4
252.07886	3.2
266.09634	0.7
267.06631	2.8
268.07449	18.0
269.08008	1.0
282.09021	1.7
283.09775	24.7
284.10361	2.2
286.28000	0.7
297.11328	2.3
298.12082	8.8
299.12885	5.7
313.03476	0.9
329.13965	100.0
330.14310	7.1
353.13846	0.8
373.12924	22.5
374.13248	1.9
535.18237	31.0
536.18481	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	535.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	17.3
69.03446	1.4
69.40282	5.7
78.69693	0.9
81.03456	4.0
83.01388	7.1
85.02981	0.8
93.03460	2.9
95.05030	3.4
95.34827	0.9
97.02961	5.4
99.04556	1.2
108.02235	1.5
109.02961	24.9
111.00903	3.6
117.03502	2.1
121.02962	5.3
123.04539	13.7
125.02461	100.0
125.06055	2.1
126.02779	2.0
134.03694	1.2
135.04527	3.9
136.05312	1.5
137.02461	46.6
138.02832	1.2
139.04031	3.8
143.05037	1.0
145.01881	1.9
145.02966	24.5
146.03783	4.3
147.04498	1.1
148.05307	1.2
149.02457	13.8
149.06079	1.7
150.03224	3.6
151.04021	10.1
159.04518	15.2
160.05299	2.6
161.02457	3.9
161.06087	10.0
162.03241	1.7
164.01183	4.1
165.01971	7.6
165.09268	1.8
167.03474	3.0
167.04895	1.1
169.01451	1.4
173.06007	1.9
175.04044	3.0
175.07666	1.9
176.03365	1.4
176.04793	1.2
178.05214	0.8
179.03523	7.0
179.20917	1.1
183.04500	3.5
184.05292	0.9
185.06068	6.4
187.04030	11.6
188.04784	2.6
199.07707	1.5
201.05658	5.4
201.12842	3.3
202.06425	1.8
203.07156	18.6
203.10727	2.6
204.11554	8.1
205.05095	6.7
209.06143	2.3
211.04054	2.8
212.04723	1.6
213.01842	1.7
219.13974	6.8
221.08221	2.1
225.05565	1.7
227.03616	1.6
227.07156	5.4
229.05083	2.9
230.02132	2.1
241.05113	3.2
245.08191	21.0
246.08569	1.8
247.06136	1.3
247.40050	0.9
253.05070	15.1
263.12903	24.2
264.13126	1.3
271.06140	51.3
272.06406	2.9
289.07208	98.2
290.07529	4.6
326.10495	3.8
337.11047	0.9
385.16702	4.1
397.16843	1.0
436.79971	1.0
473.19699	2.2
491.20590	4.3
517.18524	3.6
535.12933	1.0
535.20117	7.4
536.20410	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	535.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11433	0.8
55.01884	1.2
57.03446	1.4
59.01389	4.7
67.76865	0.6
69.03448	1.4
69.10416	2.4
69.10840	4.0
71.01385	17.9
73.02950	6.4
78.95905	1.0
79.05534	1.6
80.02685	4.4
81.03451	0.9
83.01398	5.5
83.05045	1.4
85.02954	9.0
87.00890	1.0
89.02469	1.0
93.03515	0.9
95.01392	4.9
95.05047	2.2
97.02951	1.4
97.06623	1.1
98.22541	1.6
99.00895	2.1
99.04525	5.7
101.02449	9.7
106.04269	1.9
107.05048	3.8
107.08682	1.8
108.02171	1.5
109.02941	1.0
109.06588	7.8
110.21291	0.6
111.00911	2.5
113.02456	9.2
119.05026	0.9
120.05817	2.7
121.02943	2.7
121.06609	32.1
122.03770	0.7
122.06969	1.0
123.00896	80.2
123.04536	2.6
124.01675	100.0
125.02493	10.4
133.06601	1.4
136.01642	1.0
137.02492	1.7
137.06076	0.8
138.03239	25.0
139.00395	2.3
139.04024	64.5
140.04378	1.9
143.03569	0.8
149.02437	1.7
151.04039	1.9
152.04799	2.4
152.99634	1.2
159.02985	1.1
161.04564	15.8
163.07672	1.2
165.05527	0.8
166.02756	1.8
171.08501	0.7
171.10378	1.1
171.11835	3.4
174.10442	1.2
178.02783	1.0
181.05167	3.3
187.11333	1.1
189.12852	50.8
190.13245	2.9
193.05092	2.0
207.13919	12.2
211.49269	0.7
231.13892	1.9
233.11829	9.3
242.20961	0.8
244.41359	0.7
251.12907	17.2
252.13234	1.4
255.13980	1.4
257.11908	1.6
273.15002	1.0
275.12952	4.1
276.76807	0.7
287.07574	1.1
289.14481	1.3
293.14026	0.9
299.12848	6.2
301.09302	36.2
302.09650	1.6
317.13922	8.3
335.14948	1.4
395.17239	3.3
505.18271	1.1
517.19250	1.3
535.21875	42.7
536.21918	3.9
542.80792	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	535.3128
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01884	2.3
56.41355	0.8
57.03444	3.3
58.00597	2.9
59.01385	59.9
61.98841	7.4
69.03468	0.9
69.41166	5.4
71.01389	48.6
72.99315	5.9
73.02953	8.8
83.01385	5.5
85.02962	15.3
86.55019	1.0
87.00869	4.4
87.04521	1.1
89.02453	46.7
94.52958	0.9
95.01420	4.3
97.02970	1.5
99.00892	2.3
101.01812	2.0
101.02457	34.4
107.01406	4.0
111.00924	1.4
113.02458	18.7
113.09737	1.4
116.92884	2.5
119.03513	20.1
121.02945	1.0
121.05393	1.0
121.10260	0.9
123.00907	1.4
125.01820	0.9
125.02486	10.3
125.09734	1.8
131.03484	2.1
133.06943	1.8
137.67711	1.0
143.03542	4.3
145.02878	1.0
149.04535	1.2
151.11227	1.1
153.09236	1.3
157.12453	1.1
159.03049	1.1
161.04565	6.3
167.10770	1.0
169.01436	14.4
179.05656	12.2
179.82915	0.9
185.11899	1.0
187.13422	2.9
215.12926	1.8
216.13687	4.3
217.14421	1.7
219.03139	1.1
229.01472	1.4
245.17572	2.3
275.02078	1.1
285.08066	2.0
287.83292	1.2
300.99908	5.5
316.01041	1.1
344.00507	2.0
355.24844	1.7
373.25970	40.4
374.26337	2.7
378.18945	1.8
383.13614	1.3
408.59586	1.2
465.07034	1.2
535.14996	2.8
535.31281	100.0
536.31635	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	535.313
Annotation	glas#24
Peak:m/z	Relative Intensity
54.34460	0.9
56.46420	1.0
57.03441	1.2
57.73526	0.9
59.01379	14.3
61.15090	0.9
71.01381	8.8
71.27398	1.1
71.27847	1.6
81.03448	1.3
83.01398	3.1
85.02962	3.7
87.00890	1.2
89.02438	5.3
89.16282	1.0
101.02443	2.8
101.94393	1.0
108.02185	1.5
109.02975	1.5
113.02486	2.2
116.92834	1.1
123.00910	1.7
123.04551	7.7
124.01684	1.4
125.02440	2.8
137.02428	1.5
138.03258	2.5
139.00401	3.1
139.03915	1.3
139.11369	1.4
142.06390	1.0
153.05577	1.2
157.12384	1.1
161.04601	1.0
167.03485	13.2
168.05452	1.2
185.11865	2.5
191.03546	2.8
193.05051	1.0
215.12872	4.6
242.02301	1.4
259.02493	1.6
271.02469	4.5
287.02002	5.0
314.00577	1.7
315.01666	3.1
316.02267	8.3
325.24127	1.2
328.09424	3.3
331.04605	18.9
332.04993	1.7
343.11987	9.1
343.25073	2.5
355.24991	9.7
371.37003	1.2
373.12842	2.8
373.25986	17.0
388.91324	1.2
401.39294	1.2
475.08585	1.8
506.18399	3.4
517.30798	1.6
517.87988	1.3
535.31287	100.0
536.19336	1.6
536.31696	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	536.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33933	2.5
80.01256	2.6
80.57878	2.6
85.02949	9.0
95.97626	8.2
98.22535	7.5
103.33577	2.9
118.06625	3.7
133.06425	2.8
141.18964	2.7
147.04538	5.4
164.07184	9.5
180.83992	3.3
191.02022	6.6
191.03531	14.0
209.03062	3.3
219.03055	5.8
229.13527	2.8
244.02841	17.5
247.02487	100.0
248.02702	4.6
269.32550	4.1
291.01526	50.3
502.93964	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	536.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61849	2.3
61.32727	2.4
61.71275	2.6
71.08223	5.5
77.53992	2.3
81.98046	2.4
84.59960	2.3
90.02249	2.4
93.03454	3.1
95.01389	3.0
123.00936	16.3
124.01641	10.9
125.02460	33.8
125.84382	2.6
139.03983	13.6
149.02414	5.8
151.00365	10.4
153.01947	32.0
155.10023	2.8
166.02713	7.6
166.50174	2.9
167.03506	100.0
167.04932	4.9
168.03841	4.1
169.01430	52.4
177.02037	3.4
273.04242	3.1
303.05084	3.5
319.04596	77.2
320.05066	3.7
473.07251	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	536.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41164	0.9
54.43661	0.9
54.92484	0.8
57.03464	0.9
58.02982	5.3
59.01376	1.3
67.01914	1.2
69.03481	1.6
71.01382	3.6
71.26472	1.1
76.58208	0.9
79.01921	1.2
83.01423	1.1
95.01397	1.9
96.96022	2.1
97.02971	2.0
101.02464	2.1
102.74139	1.1
107.01389	8.4
109.02958	1.3
111.00874	2.6
113.02489	1.8
123.00909	12.3
124.01690	1.7
125.02466	46.3
137.02472	1.5
139.00412	5.9
140.01164	2.2
141.01952	2.0
149.02480	1.0
151.00401	9.5
153.02023	1.2
161.02458	1.6
165.01874	1.2
167.03433	1.1
168.00673	3.8
169.01448	61.0
170.01784	2.5
178.08759	13.6
191.03444	1.2
211.02477	1.5
300.99866	1.9
301.03412	1.1
313.05667	15.1
492.15158	100.0
493.15503	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	536.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48476	0.9
68.99823	14.2
69.70782	5.0
93.03451	2.2
95.01401	3.3
98.22462	1.3
105.03439	1.9
109.02968	3.7
121.02991	2.8
123.00901	27.3
124.01652	1.5
125.02452	12.9
127.00365	1.5
128.03537	1.0
133.05360	3.5
134.03772	4.0
135.04546	21.2
137.02458	6.2
138.03239	38.9
139.00403	3.7
139.03983	3.5
147.00929	2.6
147.04549	4.4
148.05327	69.4
149.02470	3.3
149.05959	3.3
150.03175	1.5
153.01935	5.1
153.05591	37.2
160.01712	1.6
161.02396	1.4
162.03230	3.1
163.00372	2.9
164.04883	1.2
165.01965	13.4
168.04269	9.8
169.01424	2.0
175.00397	13.2
175.03989	1.6
176.01144	9.2
176.03493	6.5
177.01970	7.0
177.04259	3.3
177.05618	1.4
178.02823	5.5
178.05127	42.6
179.03569	1.7
179.05392	1.4
180.04280	3.9
187.04037	2.0
188.04825	3.1
189.05550	1.4
190.02873	1.5
190.05098	18.7
191.03578	8.5
192.04341	12.3
193.01434	31.3
193.05090	5.2
194.01906	1.5
195.06845	1.2
205.05154	1.3
207.03052	1.6
207.06618	11.6
208.03781	44.1
208.05753	2.1
209.04381	3.1
218.04604	1.8
223.06137	89.7
224.06502	2.5
225.07579	1.4
253.08766	1.9
254.93083	1.0
261.46060	1.1
287.09302	2.1
289.10156	1.0
296.09619	1.4
297.10117	17.3
311.11334	1.4
312.12436	100.0
313.12729	8.1
343.11884	12.5
352.11954	24.2
353.12173	1.7
364.11908	18.9
506.11087	2.3
506.18201	34.3
507.18259	2.9
518.18250	14.4
519.18573	1.4
536.19312	34.0
537.19397	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	537.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45119	1.7
57.03466	2.7
59.01391	21.0
60.99314	12.9
61.98820	5.3
71.01395	14.7
71.27093	2.9
75.53500	2.0
83.01369	2.6
85.02951	2.8
88.98816	79.8
89.02450	21.3
101.02448	7.1
103.01984	2.0
107.01401	2.9
109.02929	4.5
113.02473	6.4
119.03492	8.8
121.02977	2.3
125.02448	26.9
132.46065	1.7
134.03621	2.6
136.05319	5.7
137.02441	3.0
146.03792	2.6
149.02443	2.7
151.00398	9.9
153.01956	8.0
161.04591	2.2
162.03268	14.3
164.04814	100.0
165.05072	2.7
169.01393	6.9
177.05608	7.9
178.99913	4.0
179.05846	3.5
179.07155	78.5
180.07491	2.8
195.06664	2.7
211.02347	2.4
221.46307	2.2
227.03453	2.1
229.01355	2.1
243.02888	3.2
255.02908	7.7
260.60172	1.9
271.02368	15.8
272.03149	1.9
300.02780	36.4
301.03519	28.4
304.61142	1.9
375.27530	2.3
417.01553	2.0
447.09344	54.5
448.09903	3.9
478.94073	2.3
523.59064	2.1
537.19641	2.1
537.33032	4.9
537.67676	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	537.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03523	0.9
53.37171	0.8
59.01383	6.5
61.98838	2.6
69.15186	6.1
69.15604	2.1
71.01392	4.5
83.01412	1.2
85.02948	1.3
85.83802	0.9
89.02457	5.3
93.28113	0.9
96.96001	4.7
96.97003	1.0
98.22558	1.9
101.02444	2.5
107.01421	1.1
108.02244	1.4
109.02979	2.0
111.28281	1.0
113.02477	1.9
119.03508	1.7
123.00859	2.3
123.04563	1.3
124.01665	2.5
125.02471	6.9
135.04498	0.9
136.01694	12.0
151.04022	15.3
159.04543	2.4
167.03467	1.3
169.01451	6.0
181.05055	1.1
183.61784	0.8
203.78267	0.9
211.02486	1.2
216.00639	2.0
216.97795	1.0
232.00224	1.8
233.14684	1.1
241.98546	2.5
244.97362	1.1
249.61932	1.1
256.97342	1.8
259.99673	4.0
272.96793	2.7
274.98291	1.4
287.01938	1.2
287.99075	1.6
297.97540	5.1
299.99487	1.1
300.02887	4.4
300.96317	8.8
300.99783	2.3
301.10925	4.0
311.13000	5.4
312.99524	1.2
314.97934	1.4
315.98605	24.1
328.95804	4.3
329.96539	3.2
330.97302	2.3
331.01077	2.5
341.13013	1.1
343.01114	1.4
343.98111	26.5
344.02026	2.1
344.98834	8.0
345.99783	1.5
356.15167	2.9
359.00479	75.8
360.01102	9.7
361.02042	1.8
375.03732	4.0
387.73340	1.0
474.13892	2.8
475.08734	1.9
507.04309	2.1
522.06653	9.2
537.08911	100.0
537.18890	4.6
538.09210	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	537.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57698	0.7
59.01367	2.8
59.22371	0.7
60.99310	15.9
68.87057	0.7
71.01386	1.9
71.27698	1.1
88.98813	100.0
89.02443	0.9
89.99152	0.8
95.47315	0.7
101.02408	0.9
125.02447	5.2
137.02496	0.7
169.01427	2.9
178.02130	0.7
180.64835	0.6
199.04219	0.7
243.03021	1.3
255.03008	3.4
271.02505	7.3
272.02914	0.9
299.01926	1.6
300.02756	24.8
301.03214	1.1
315.05121	25.1
316.05460	1.1
329.96542	1.8
344.98846	2.4
357.26648	1.0
359.00558	1.8
360.01224	2.1
375.03674	4.0
375.27570	3.0
404.94830	1.2
447.09338	17.3
525.19220	0.7
537.08807	1.6
537.32910	17.5
538.33911	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	537.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40932	0.4
59.01370	1.6
65.00323	0.5
65.59357	0.5
69.67520	1.3
69.67937	1.1
71.01386	3.1
78.91898	1.0
82.95419	3.3
83.01384	0.6
85.02959	1.7
88.98797	0.6
89.02456	1.8
93.03473	2.0
95.01392	0.7
97.02969	0.8
101.02463	1.9
107.01394	1.9
109.02963	1.2
111.00898	1.1
113.02435	1.7
116.34431	0.5
121.02983	4.7
122.00584	0.4
123.00895	4.0
123.04519	0.7
124.01688	0.7
125.01533	0.9
125.02459	15.9
126.02798	0.9
127.00352	1.0
133.02979	0.6
135.04559	3.9
136.01688	1.1
136.98793	1.2
137.02458	1.5
139.00374	2.9
139.04005	1.0
140.01143	1.9
146.76434	0.5
149.02460	26.0
150.03255	0.7
151.00391	4.2
151.03986	1.7
152.01169	8.9
153.01956	0.5
161.02483	1.9
163.04018	7.6
164.04800	17.4
165.01949	4.7
165.05524	0.5
167.03519	2.7
168.00668	3.2
169.01448	22.3
169.05045	2.9
170.01785	1.0
177.01965	0.7
179.07167	6.4
180.04256	0.8
193.01436	25.5
194.01791	0.8
195.03029	0.5
198.08089	0.5
208.03786	43.5
209.04146	1.9
223.06134	100.0
224.06508	4.2
227.34383	0.5
254.58791	0.5
257.08121	0.9
313.05682	57.7
314.06064	3.1
327.12213	0.6
357.13745	0.6
371.01306	0.5
454.10974	0.5
455.25806	0.6
537.13629	0.6
538.15051	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	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
56.12781	1.0
57.03442	1.4
58.00595	2.1
59.01384	37.8
68.97076	5.6
68.97501	5.8
69.03463	14.6
71.01389	47.2
72.99306	3.6
73.02947	6.0
75.00874	2.4
79.01917	2.3
81.03471	3.9
83.01403	3.4
85.02955	7.3
86.69718	0.9
87.00896	1.9
88.98819	3.1
89.02454	59.3
95.01414	5.0
97.02956	12.9
98.22139	5.7
99.00887	10.4
99.04537	2.1
101.02468	8.7
107.01431	6.4
107.94904	1.0
108.02187	38.1
109.02975	20.3
110.03274	1.4
111.00864	1.7
113.02456	6.5
113.47283	1.1
115.04005	5.8
121.02969	2.8
123.00887	2.8
125.02457	30.3
125.03339	1.8
126.02835	1.1
131.03471	5.1
135.00894	9.4
137.02463	1.9
143.03482	2.6
149.04584	5.4
151.00345	1.7
152.01166	50.9
153.01956	29.3
158.27530	1.0
161.04536	1.3
165.01976	1.6
169.01463	3.3
178.93030	1.0
191.05637	4.3
192.34274	1.0
197.06090	2.1
233.06686	18.4
243.06561	6.6
293.08768	8.9
411.09320	1.8
429.10400	100.0
430.10751	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	537.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	15.1
71.26926	2.7
81.03452	4.4
83.01415	6.0
86.48614	2.0
109.02969	14.3
110.32149	2.2
111.00898	5.6
123.04502	9.2
125.02464	100.0
128.16397	2.7
137.02467	67.5
145.02971	24.5
146.03754	4.7
149.02443	6.9
151.04013	9.4
159.04526	16.3
161.06094	8.9
162.83936	5.9
174.03204	2.3
183.04533	2.7
185.06119	8.5
187.03987	5.9
201.05656	4.9
203.07132	12.2
209.06227	3.5
221.15456	6.8
227.07228	6.7
230.02061	3.0
245.08229	7.7
250.44116	2.7
253.05049	18.5
261.57413	2.3
265.14484	8.7
271.06116	43.7
272.06522	4.0
289.07211	54.7
290.07712	5.0
399.18375	3.6
449.23499	5.1
493.22171	3.9
521.27673	2.3
537.21558	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	537.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.5
59.01379	8.3
60.99316	17.7
63.83453	2.3
69.01364	11.7
69.01787	13.1
79.18451	2.3
88.98811	100.0
89.02454	19.0
123.04536	3.2
125.02454	22.3
134.03770	2.3
136.34734	2.3
164.21559	2.3
167.03473	3.0
169.01453	33.3
169.59448	2.5
177.54639	2.4
205.08472	6.3
209.08177	4.9
243.06383	2.5
265.10657	6.0
311.05508	4.6
313.65533	2.2
385.12772	3.1
452.33817	2.6
477.15329	4.6
537.18372	3.5
537.32648	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	537.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.3
60.99316	16.7
61.98827	9.0
69.44661	14.6
69.58164	2.9
71.01378	8.9
88.98817	100.0
89.02461	13.8
98.21894	7.4
101.02469	4.0
104.82320	3.0
107.01470	3.1
115.00407	12.2
122.06155	6.0
125.02452	9.0
152.07204	11.1
153.07538	3.7
169.01399	8.4
188.07246	4.7
188.98317	3.2
189.07480	4.0
271.02481	6.2
272.96893	6.3
295.11084	4.9
296.11261	6.4
297.97589	5.8
300.02771	7.1
300.96466	14.7
300.99579	3.4
315.98602	26.6
328.95877	6.6
329.96658	14.6
343.98105	39.9
344.98740	38.1
345.99420	5.5
359.00479	89.4
359.04745	7.1
360.01053	21.9
375.03613	61.1
376.04141	5.8
460.19052	3.6
461.19046	26.0
475.08954	4.3
505.18216	20.7
507.04019	14.7
522.06458	18.8
537.08868	70.8
537.22034	3.8
537.32440	13.4
538.09528	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	537.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
59.01387	32.1
61.98836	4.0
71.01410	1.9
71.28658	2.4
73.02924	3.1
83.01372	3.7
88.98826	2.1
91.17876	2.0
93.03473	18.7
96.66469	1.9
96.95996	2.1
101.02465	2.4
109.06593	5.7
121.02966	51.5
121.06587	3.5
123.00934	3.4
123.04532	100.0
124.04760	2.4
125.02452	12.3
137.02426	4.5
150.03197	2.0
165.01909	5.5
165.12852	4.5
166.99881	3.7
168.00652	5.0
169.01413	10.3
179.03372	2.9
189.12830	4.6
207.13925	34.1
208.14259	2.5
209.11858	9.3
233.11848	12.2
251.12958	7.4
269.13989	8.1
310.41611	2.3
317.13980	3.4
385.12790	3.0
407.33411	2.2
432.24680	2.3
537.15173	4.0
537.23352	68.1
538.23407	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	537.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03442	2.5
58.00585	3.3
59.01385	56.8
60.99309	5.8
61.98796	0.9
69.03433	1.4
71.01387	43.2
72.99319	4.6
73.02945	9.7
83.01402	4.8
85.02959	13.0
86.63063	0.9
87.00896	2.8
88.98813	38.6
89.02454	38.0
89.99181	0.9
95.01409	3.1
99.00888	2.5
101.02446	25.3
104.67804	0.9
107.01389	2.0
108.02165	2.6
113.02465	15.4
119.03516	18.8
121.02975	3.0
121.10246	2.3
123.00878	1.6
125.02443	7.4
125.09752	1.4
128.13692	0.9
131.03465	1.9
134.03711	1.1
139.00360	1.3
143.03522	2.6
149.02397	1.6
149.04562	2.2
151.00410	2.4
151.11298	1.3
152.01181	2.0
153.01941	3.6
153.09274	1.7
159.02992	1.2
161.04544	4.2
168.04350	1.0
169.01460	5.2
175.00340	1.8
178.99908	1.1
179.05638	9.5
179.10861	2.2
189.98376	0.9
190.02742	2.7
191.03578	1.1
192.03011	1.0
193.05048	1.8
205.04984	2.8
217.14455	14.2
255.02971	3.3
271.02396	5.6
275.01981	1.0
300.02740	12.5
301.00024	2.1
301.03461	12.2
315.25623	1.2
352.23169	1.0
353.08975	1.4
357.26431	1.8
367.10608	1.4
375.27484	27.4
376.27942	1.1
383.06250	0.9
401.06961	1.4
447.09357	22.8
448.09512	5.2
537.32855	100.0
538.33051	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	537.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89355	0.6
54.08642	0.7
56.00357	0.7
58.37304	0.7
61.98837	5.7
63.34788	0.7
65.81224	0.6
69.01022	6.2
78.95916	20.3
85.38381	0.9
109.93024	0.7
146.96997	0.7
147.19624	0.8
152.99608	3.8
158.20032	0.7
168.04335	2.8
196.03737	0.7
224.06949	7.2
231.98636	0.7
242.08064	2.0
255.23314	100.0
256.23648	6.3
260.19397	1.0
282.25348	0.9
306.95984	0.7
452.27713	3.8
480.31021	58.3
481.31427	5.7
537.25916	1.3
548.14044	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	538.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51960	2.3
57.98422	2.5
59.24627	2.6
61.98833	21.1
108.65516	2.5
151.00348	13.6
163.00386	4.8
165.02005	3.9
178.99866	7.3
179.15417	2.5
180.04239	3.2
226.06699	2.7
227.03383	4.5
229.13065	3.1
243.03023	15.5
250.08340	2.6
255.03036	23.5
271.02499	51.1
272.03000	3.4
300.02780	81.7
301.03549	75.2
301.06851	1.7
302.04037	3.1
312.12521	7.0
433.07721	5.6
475.08875	100.0
476.09430	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	538.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05423	2.1
61.98835	12.0
69.45411	11.6
70.85562	1.8
99.42905	1.7
100.04807	2.0
103.48256	2.0
107.01475	2.0
151.00394	4.6
178.99855	3.3
180.14140	1.9
231.30898	2.1
243.03040	8.6
255.02982	18.9
271.02505	47.4
272.03070	4.5
273.03653	2.1
300.02774	100.0
301.03424	18.6
400.21054	1.8
457.34000	2.4
475.08875	83.6
476.09286	4.6
508.49426	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	538.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	49.4
59.01390	58.0
60.99332	8.4
61.98830	31.0
68.36240	9.0
71.01393	49.4
71.26491	11.6
72.99332	11.3
73.02966	21.5
78.91923	10.3
84.67202	8.8
85.02951	33.1
88.98815	45.1
89.02413	19.3
99.04515	38.6
101.02434	52.4
103.04007	100.0
104.04379	13.0
113.02473	23.7
125.02447	47.0
143.04706	9.5
161.04608	52.2
169.01436	15.2
179.78192	8.2
495.29654	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33831	0.2
57.03436	0.4
59.01394	0.3
69.03407	0.2
71.01365	0.3
79.95738	2.9
81.03459	0.3
83.01382	0.3
87.00887	0.5
87.97089	0.3
95.01373	0.4
96.96021	100.0
97.21163	0.3
97.93147	0.3
97.95963	0.4
107.01466	0.4
109.02974	0.8
118.65424	0.3
121.02999	0.4
123.00915	1.0
123.04523	0.5
125.02454	5.0
137.02464	2.4
145.02998	0.8
149.02484	0.5
150.03284	0.4
151.04042	0.6
152.40402	0.3
159.04553	0.4
163.03685	0.3
164.01265	0.3
169.01436	5.9
194.96094	0.3
203.07231	0.3
204.96452	0.3
204.98160	0.6
206.99770	0.6
212.97176	0.4
215.51434	0.3
222.99309	0.6
241.71181	0.3
245.08060	0.4
246.99045	0.4
249.00896	0.7
252.96703	0.4
266.98172	2.7
283.03125	0.3
285.00845	0.8
289.07269	2.4
297.00845	0.4
309.00861	0.4
313.00394	0.5
327.01834	0.5
340.99722	1.6
344.99191	1.5
352.99820	0.7
359.00983	0.6
369.02988	0.6
372.98978	0.3
387.04419	0.4
391.05038	1.0
395.00937	0.6
401.01852	1.8
435.04080	0.4
441.08224	2.1
479.02969	6.3
480.03458	0.5
502.99240	0.7
539.05115	3.5
539.20325	1.8
539.80237	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	539.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29308	1.0
57.03457	9.2
58.00599	1.6
59.01384	34.3
61.98837	23.2
64.12939	1.1
69.06107	8.7
69.06516	1.7
71.01036	2.0
71.01395	28.6
72.99316	3.3
81.03445	2.5
83.01381	3.7
85.02952	5.8
87.00895	3.1
88.98820	2.6
89.02457	36.9
95.01398	2.6
96.96027	1.6
97.02939	1.8
101.02454	14.6
107.01399	3.9
108.02201	1.3
109.02969	1.6
111.00880	2.0
113.02467	10.5
117.03506	1.4
119.03529	16.1
121.02957	5.1
123.00900	7.6
123.04540	1.6
124.22588	1.0
124.54846	1.0
125.02462	92.7
126.02783	2.2
131.03490	1.5
133.36473	1.1
137.02484	2.4
139.00380	4.3
139.04039	3.2
140.01151	2.5
143.03461	2.0
145.02963	2.6
149.02431	2.4
151.00423	5.3
151.03972	1.7
153.02031	1.6
161.02466	2.9
161.04552	3.2
162.03247	23.5
165.01933	4.2
166.06375	8.4
167.03473	2.6
168.00616	4.6
169.01451	51.5
177.01958	1.9
177.05585	20.5
178.05855	1.1
179.05653	5.9
181.08759	3.4
183.03004	1.4
190.99861	3.1
195.06560	1.8
209.00865	1.7
211.02420	5.3
223.02354	1.2
225.04051	1.6
271.04541	5.5
313.05649	22.7
360.07266	1.2
377.08871	7.1
386.08618	1.1
439.08859	100.0
440.09076	6.8
539.10669	3.9
539.14423	3.5
539.21466	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	539.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03386	1.7
59.01317	9.1
59.01639	0.9
61.98757	2.0
65.00259	0.7
67.01833	1.2
68.99902	6.0
71.01315	8.9
72.99242	1.8
78.75671	0.7
79.01846	0.7
81.03431	0.9
83.01316	2.3
85.02881	2.5
87.00804	1.1
89.02460	9.6
95.01324	2.7
96.95939	2.6
97.02887	1.2
99.00771	0.8
101.02448	3.9
107.01409	6.2
109.02901	1.6
110.00043	1.6
111.00893	7.8
113.02369	2.6
115.17706	0.7
119.03497	4.4
121.02855	2.1
123.00903	11.5
123.04510	1.1
124.01643	4.4
125.02461	44.4
125.03325	1.5
126.02720	0.9
127.00291	2.7
135.04448	2.9
136.98796	5.1
137.02463	4.0
138.03267	3.0
139.00401	8.7
139.04034	4.9
140.01184	12.4
141.01921	1.4
148.17395	0.7
149.02354	2.6
149.04469	0.9
150.03223	3.3
151.00266	2.3
151.04047	3.1
153.05515	1.0
154.99785	0.7
161.02371	1.7
161.04529	0.8
162.03238	3.0
165.01826	2.0
165.05469	2.8
166.06277	2.4
166.99821	3.2
167.03401	2.0
167.99236	1.0
168.00645	18.3
169.01439	40.4
170.01718	1.4
177.01843	2.9
177.05522	1.7
178.02631	2.5
178.04089	0.7
179.03369	2.5
179.05580	1.0
180.04288	1.1
181.01350	2.1
182.02129	1.8
183.01659	0.9
183.03017	11.8
192.04243	1.5
193.04942	1.4
195.01425	0.7
195.02988	8.5
195.06551	2.6
196.03354	0.7
197.04453	1.0
209.04568	8.5
209.24489	0.7
210.03416	0.7
210.05348	9.9
211.02368	1.5
211.05969	1.1
224.06830	3.4
225.04118	0.9
225.07697	13.0
225.50198	0.6
227.09251	0.7
241.03595	0.7
271.04626	1.6
281.37421	0.7
313.05710	4.6
314.10382	5.3
376.07281	0.8
377.08792	100.0
378.09143	8.1
439.08875	13.4
440.09207	1.1
491.19043	3.6
539.14197	54.3
540.14459	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	539.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45855	0.4
57.03446	1.2
59.01375	0.5
69.03468	1.8
69.29846	3.4
78.78584	0.5
79.01886	0.5
81.03474	1.1
83.01410	1.6
88.98782	0.6
95.01414	0.7
95.05049	0.7
97.02962	3.1
107.01407	0.9
109.02975	5.7
121.02952	0.6
122.03770	0.6
123.00906	0.9
123.04539	2.8
124.01702	1.3
125.02464	67.1
125.24752	0.4
126.02814	1.3
130.35757	0.4
135.04550	0.6
135.08202	1.0
136.01677	0.6
137.02444	3.4
139.00409	0.8
139.03990	0.6
145.02950	1.7
146.03749	0.7
149.02438	1.6
150.03212	0.6
151.04056	3.4
159.04575	1.3
161.02518	0.7
161.06088	1.7
162.03209	0.7
164.01164	0.9
165.01930	1.7
166.99869	0.6
167.03525	0.9
168.00574	0.6
169.01445	100.0
170.01776	3.1
173.06140	0.5
175.03990	0.7
175.07594	0.4
179.03462	1.4
179.07152	2.0
185.06105	1.0
187.04012	1.3
188.04840	0.7
191.07193	1.3
193.01440	2.1
199.07608	0.6
203.07184	4.0
204.07477	0.5
205.05167	2.5
210.60239	0.5
212.04889	0.7
221.08344	0.7
223.09781	0.6
225.11421	0.6
227.07011	0.8
228.33783	0.4
235.09761	1.4
245.08165	5.5
271.06192	2.5
280.77957	0.4
289.07208	19.1
290.07825	1.1
299.12863	0.8
303.04929	1.0
325.10898	0.6
331.07013	0.7
343.11844	2.4
369.13382	1.8
387.14548	20.9
388.14883	1.7
441.08258	2.0
539.16058	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	539.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85223	0.5
55.68138	0.5
56.36326	0.5
57.03448	2.3
59.01362	1.0
61.98841	1.6
69.03455	1.6
71.01400	0.7
79.01898	0.8
81.03460	2.2
83.01400	2.3
88.98791	0.6
93.03482	0.9
95.01404	1.3
95.05053	2.0
97.02955	5.6
98.21800	1.2
101.02467	0.5
102.95076	0.7
107.01383	2.6
107.05011	0.8
108.02229	0.7
109.02966	13.0
121.02940	3.0
123.00903	2.3
123.04543	7.9
124.01662	1.0
125.02455	79.0
126.02795	1.9
127.42887	0.5
133.02977	0.6
135.04546	1.7
135.08176	1.4
137.02446	8.0
139.00360	0.6
139.03999	2.4
145.02983	3.4
146.03720	1.9
148.05403	0.8
149.02472	4.1
150.03288	1.0
151.00354	1.9
151.04015	5.8
159.04552	3.0
159.56589	0.5
160.05206	1.0
161.02403	1.1
161.06122	4.8
162.03230	1.0
163.04033	1.1
164.01195	1.4
165.01955	2.5
165.05486	0.5
166.43282	0.6
166.99873	2.1
167.03497	1.2
168.00671	1.5
169.01437	100.0
170.01724	3.5
175.04012	1.4
175.07555	1.3
177.05495	0.9
179.03574	3.5
179.07143	4.9
185.06102	1.9
186.06880	0.6
187.03998	3.5
188.04794	2.7
191.07185	2.6
193.01427	4.1
202.06427	1.0
203.07153	8.8
205.01442	0.6
205.05045	5.7
209.06055	0.5
221.08208	1.9
223.09763	2.2
227.07120	1.0
235.09749	2.6
245.08162	11.6
247.06087	1.3
253.05113	0.7
259.06076	1.6
271.06174	5.3
278.29807	0.5
279.14590	0.6
289.07190	38.3
290.07550	1.5
291.87454	0.6
299.13022	1.5
300.02979	0.7
301.03146	1.0
302.47266	0.6
303.05121	1.3
307.09766	0.7
313.05685	1.3
325.10672	1.0
343.11792	5.2
369.13400	5.9
370.13959	0.6
387.14499	48.0
388.14929	3.1
404.91711	0.7
441.08310	4.4
477.13849	3.8
478.50659	0.6
495.18668	1.2
539.16132	7.4
540.16266	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	539.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18879	0.7
57.03452	2.2
58.00593	1.2
59.01091	1.3
59.01383	22.5
61.98831	0.8
67.91912	0.6
69.45209	2.8
71.01389	14.8
72.97530	1.4
72.99305	2.1
73.02962	0.8
83.01385	2.7
85.02966	3.7
87.00892	0.9
87.49002	0.7
88.98830	0.9
89.02450	15.2
91.70777	0.7
94.39114	0.7
95.01379	2.3
95.05036	0.6
95.41011	0.6
97.02966	1.3
98.22458	1.0
99.00888	0.9
101.02453	8.4
105.51503	0.8
107.01413	2.3
111.00890	1.9
113.02467	5.4
119.03514	5.1
123.00893	4.4
125.02467	39.8
127.00391	1.3
131.89542	0.8
135.04543	1.1
136.98827	1.3
137.02432	1.0
137.06058	1.3
138.03172	0.8
139.00388	2.9
140.01184	2.3
146.27480	0.8
149.02467	2.1
150.94205	0.6
151.00368	1.2
160.01724	5.1
163.00452	3.9
165.01865	0.8
167.03520	1.1
168.00653	8.0
169.01433	20.5
170.01750	1.0
175.00386	0.8
177.01949	17.5
178.02745	5.5
181.05116	0.9
183.03015	0.8
192.04297	9.8
193.05060	3.3
211.02498	30.2
212.02791	1.1
225.04059	11.5
227.03531	1.5
241.07231	1.7
243.03062	0.8
255.02893	1.8
269.04395	0.8
270.05307	1.9
271.04642	59.3
272.04959	2.1
283.02597	3.2
283.05869	0.7
286.04877	1.1
297.04099	1.1
298.04807	5.2
299.02002	2.7
299.05225	0.7
312.06577	1.1
313.07336	28.8
314.00928	0.7
314.04330	3.5
314.07556	1.8
314.10696	1.4
327.08774	3.2
329.06656	10.1
330.06351	1.0
331.06781	5.6
343.07739	0.9
344.08951	5.5
344.61523	0.7
359.11401	100.0
360.11765	7.0
377.08820	1.8
449.10822	1.1
539.14447	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	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	51.0
62.56744	0.8
65.66109	0.7
69.33791	5.4
71.01393	13.2
72.99303	1.2
83.01427	0.7
84.69328	0.7
85.02957	2.5
85.22623	0.8
87.00859	1.6
88.98797	0.8
89.02455	13.2
95.01392	1.7
98.22536	0.7
101.02441	9.6
107.01393	4.0
109.02952	1.0
111.00903	1.4
113.02475	5.7
119.03533	5.6
123.00896	8.7
124.01630	0.7
125.02466	20.4
131.34048	0.8
136.54404	0.7
137.02435	1.7
139.00401	3.9
140.01160	2.0
150.03273	1.8
151.00374	4.0
160.04077	1.3
163.11284	5.6
165.05563	1.0
167.03525	0.8
167.97519	0.8
168.00659	3.8
169.01445	19.4
185.11940	0.8
195.06570	0.9
207.10274	11.1
208.10667	0.8
211.02486	3.7
239.79060	0.8
271.02170	1.5
271.04874	5.1
313.05457	1.2
316.02206	4.8
317.03052	1.7
387.16644	61.9
388.16824	4.9
449.07159	7.4
450.08038	1.0
479.15491	4.8
491.19296	1.3
521.16992	4.0
539.17749	100.0
540.18073	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	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09578	0.5
52.12201	0.4
53.34277	0.4
59.01377	1.4
60.77515	0.5
61.98826	1.6
67.01888	0.6
69.03448	2.0
71.01390	0.8
72.45210	0.5
73.02951	1.3
74.92859	0.4
79.01896	0.5
80.18909	0.5
81.03450	0.8
83.01400	0.8
85.02988	0.4
95.01409	0.7
96.96045	0.8
97.02951	2.0
101.02473	0.7
103.25848	0.4
107.01424	1.2
109.02980	0.4
110.65360	0.5
111.00883	0.9
113.02443	1.0
123.00878	3.6
124.01679	3.6
125.02459	100.0
125.25015	0.4
126.02789	3.0
127.87345	0.4
139.00369	1.0
140.01189	0.6
151.00363	1.6
163.11261	1.0
166.99887	0.4
168.00647	6.3
169.01440	86.4
170.01744	2.3
181.12337	6.6
183.99127	0.4
187.85107	0.5
211.02577	0.9
225.11343	15.6
226.11761	1.1
231.10091	0.5
247.13403	0.5
249.11298	1.7
263.12888	0.9
271.02487	2.3
287.07712	1.0
291.12399	3.2
299.01819	0.5
300.02811	7.3
313.05698	13.5
314.06165	0.8
315.05225	5.7
369.15497	1.7
387.15964	0.6
476.09143	0.5
477.10431	6.2
495.18774	17.3
496.18918	2.0
521.16675	1.4
539.17657	24.8
540.18158	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	539.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03445	4.3
58.00608	1.3
59.01089	1.4
59.01385	26.6
61.98835	1.1
64.90016	0.8
69.10000	1.8
69.10400	6.3
71.01390	16.6
72.97527	1.6
72.99293	2.0
75.95752	0.7
79.89637	0.8
83.01396	2.6
85.02964	2.8
88.98814	1.7
89.01944	1.5
89.02453	14.5
95.01398	1.8
97.03004	1.4
98.22530	1.8
101.02448	9.1
107.01407	2.5
111.00899	2.2
113.02470	4.2
119.03520	5.0
123.00889	5.0
124.01692	1.4
125.02464	49.6
126.02808	1.8
127.00370	1.4
135.04568	1.1
136.98767	2.0
137.06046	1.0
139.00415	4.2
139.03931	0.9
140.01158	2.6
149.02493	2.1
150.03165	0.9
151.00359	2.1
151.03979	1.7
160.01625	3.9
161.02480	0.9
163.00360	4.5
165.01955	1.0
167.03589	1.6
168.00668	9.4
169.01445	18.6
176.01016	0.8
177.01950	19.0
177.03482	1.3
178.02672	3.8
181.05133	1.1
192.04306	10.2
193.05019	2.2
207.06613	0.9
211.02493	23.6
212.02847	1.2
225.04063	15.8
226.04462	1.0
227.03589	0.9
234.83856	0.8
241.07251	1.5
243.03000	1.2
255.03105	2.0
270.05139	1.5
271.04645	49.6
272.04831	1.6
283.02496	3.0
286.04977	1.4
297.04160	1.3
298.04843	5.8
299.01944	2.7
299.05115	1.4
301.00070	0.9
312.06238	1.5
313.07303	33.5
314.04410	2.4
314.07422	1.3
314.10468	2.7
327.08701	3.3
329.06711	9.9
330.06808	0.9
331.06741	7.7
344.08984	6.7
359.11395	100.0
360.11792	6.6
377.08810	2.7
393.08197	1.5
449.11081	1.2
539.14404	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	539.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77907	0.1
54.85624	0.2
57.03456	0.1
59.01387	0.3
67.01894	0.2
69.03462	1.6
70.84010	0.5
77.50504	0.1
79.01910	0.5
80.33377	0.1
81.03461	0.9
83.01391	0.3
86.94506	0.2
95.01412	0.6
97.02945	1.5
107.01393	0.5
109.02996	0.2
119.67584	0.2
122.27354	0.1
124.01661	0.7
125.02457	59.2
125.39471	0.1
126.02802	1.7
136.01662	0.5
137.02545	0.2
141.57321	0.2
144.78183	0.2
151.04012	0.9
167.61168	0.2
168.00662	0.3
169.01439	100.0
170.01796	2.7
179.84547	0.2
225.11284	0.3
289.07220	0.3
291.12543	0.4
292.26062	0.2
331.01535	0.1
331.03198	0.2
331.06671	1.3
341.80930	0.2
369.15396	0.2
384.63834	0.2
387.14716	0.3
539.17694	2.5
540.18146	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	539.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79381	0.8
57.03434	1.0
59.01376	3.5
61.98820	2.4
67.01898	1.1
69.03437	0.9
69.13567	4.8
69.14000	3.2
71.01372	3.4
73.02949	6.3
79.01889	1.0
81.03485	0.9
83.01353	0.9
83.05037	1.1
85.02947	2.0
89.02427	1.9
95.01405	2.6
95.05041	3.4
97.02969	1.2
101.02441	6.6
107.01391	11.3
107.05034	0.9
109.02940	1.2
109.06590	1.3
111.00886	1.0
113.02483	2.0
121.06599	1.0
122.95053	0.8
123.00909	10.1
123.04554	2.2
124.01669	1.3
125.02457	62.7
126.02773	1.3
137.02449	1.7
137.06064	2.6
139.00375	2.5
141.01898	1.2
151.00372	7.9
151.04062	1.0
161.04584	2.2
163.11288	10.8
167.03529	1.2
168.00665	1.9
169.01437	100.0
170.01729	4.3
181.12349	32.5
182.12691	2.0
193.01419	1.6
193.05064	1.2
205.12424	4.3
207.10234	4.2
211.02472	2.7
211.13408	3.7
225.11325	66.3
226.11607	3.8
249.11301	10.4
267.12494	2.3
289.07162	3.8
291.12076	1.0
297.13498	5.9
313.05725	2.1
313.85010	0.9
327.14493	20.9
328.14777	1.7
331.06750	1.1
387.16721	39.0
388.16980	3.7
392.52084	1.0
398.67654	1.0
479.15536	1.7
539.17719	40.0
540.18195	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	539.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71585	0.4
54.52439	0.5
55.38666	0.6
67.55595	0.5
69.03452	1.6
69.09896	1.2
69.10303	4.3
81.03459	0.7
84.83215	0.5
87.59904	0.5
92.14096	0.5
97.02974	1.8
125.02461	57.8
126.02796	1.6
168.00754	0.6
169.01443	100.0
170.01776	3.3
245.08192	0.6
289.07312	2.2
387.14758	1.1
539.17224	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	539.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08285	0.9
54.43876	0.9
59.01397	1.9
61.98841	1.3
68.02105	1.0
69.03464	1.2
69.08291	1.5
69.08688	8.6
71.01381	2.8
73.02947	4.4
79.01865	1.0
83.01387	1.6
85.02953	2.3
87.04552	1.1
95.01430	1.8
95.05035	1.4
97.02971	2.9
101.02443	4.2
107.01407	9.1
109.02962	1.7
109.06597	1.9
111.00914	1.1
111.08118	1.0
113.02473	1.4
123.00903	12.5
123.04470	1.4
124.01652	1.4
125.02456	72.5
126.02795	1.9
137.02414	1.3
139.00423	3.7
141.01901	1.9
151.00407	4.4
153.01973	1.7
163.11264	4.0
165.01909	1.4
168.00659	2.5
169.01436	100.0
170.01768	4.6
181.12338	27.9
193.01437	2.1
195.13921	2.1
203.02039	1.2
207.10349	2.2
211.02455	3.7
223.13438	4.6
225.11324	48.9
226.11690	2.7
232.43283	0.9
233.64394	0.9
267.12396	9.9
275.01959	1.1
287.07892	2.3
289.07095	2.9
297.13474	6.6
313.05548	6.6
327.14478	22.5
331.06818	3.4
344.65854	1.0
369.15631	1.1
387.16708	26.6
388.16757	2.0
479.15738	1.5
495.18985	3.9
521.16614	3.3
539.17767	43.6
540.18188	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	539.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	7.1
58.00599	6.6
59.01386	100.0
61.98855	9.2
67.43401	1.8
69.17850	1.9
71.01390	75.6
71.26751	2.6
72.99304	7.0
77.27310	1.9
83.01405	5.0
85.02961	13.6
87.00895	7.4
88.69633	2.0
89.02456	97.7
95.01434	5.9
96.96043	6.0
97.02943	2.3
97.07608	1.8
101.02446	29.9
105.42049	2.0
107.01424	8.6
109.02977	4.1
111.00918	6.9
113.02460	25.4
117.03460	1.9
119.03521	41.3
121.02997	8.3
123.00915	12.0
123.04575	2.3
124.01659	3.7
125.02460	80.4
125.74995	1.8
127.00458	2.5
131.03514	3.6
135.04567	3.4
137.02513	4.8
138.03282	2.0
139.00429	7.3
139.04024	5.1
140.01175	9.8
143.03548	6.4
145.02983	6.6
147.04489	2.0
149.02481	6.5
149.04559	2.4
150.03238	7.4
151.00398	3.7
151.04025	2.9
153.01953	2.0
161.02466	6.6
161.04579	5.8
162.03252	51.1
163.03697	1.9
165.05626	5.8
166.06377	20.4
166.99992	3.7
167.03497	2.3
168.00664	10.5
169.01434	50.6
169.02803	2.8
177.02055	2.9
177.05592	36.5
179.03496	2.5
179.05621	11.2
180.04303	2.8
181.08736	7.9
183.03043	7.8
183.04628	2.3
189.43436	1.8
195.02965	5.9
195.06677	8.7
209.04561	3.6
210.05379	6.9
211.02542	3.8
224.06982	3.4
225.04192	2.6
225.07735	13.1
252.15758	2.2
271.04742	3.2
313.05685	17.6
377.08792	75.1
378.09088	6.7
435.30829	2.3
439.08893	53.1
440.09381	4.1
442.02573	2.5
456.74731	1.9
491.19254	5.3
539.14233	35.5
540.14502	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	540.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36870	0.9
61.98833	20.0
65.50601	0.9
66.89376	0.8
69.97301	2.4
69.97702	1.9
75.63736	0.9
99.16806	0.9
108.02148	1.6
125.02457	7.6
131.31995	1.1
151.00394	1.0
169.01431	6.9
170.01735	2.0
181.12315	1.1
199.03961	1.3
225.11465	1.1
226.11571	1.1
227.03497	1.3
243.02965	6.3
254.02269	1.4
255.02979	13.3
271.02512	31.0
272.02982	1.5
299.01968	8.1
300.02777	100.0
301.03217	4.8
314.04428	1.2
315.05130	75.7
316.05478	4.8
324.27399	1.1
348.59085	1.1
477.10422	84.9
478.10712	6.9
540.18341	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	540.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	48.8
69.05847	6.9
95.89217	0.7
107.01411	0.8
123.00934	0.7
125.02454	2.2
151.00374	1.1
153.49959	0.7
169.01442	2.7
171.02328	0.7
199.04012	2.3
207.85912	0.7
215.03540	0.8
226.02727	0.9
227.03468	2.3
227.07147	1.3
243.02948	4.5
254.02292	1.8
255.03012	0.9
271.02499	49.2
272.02887	3.6
292.54587	0.7
299.01993	79.6
300.02704	24.5
301.03088	1.2
315.05145	47.2
316.05411	3.3
445.56076	0.9
462.08115	14.8
463.08621	1.6
477.10431	100.0
478.10855	10.7
541.13739	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	540.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97323	0.5
55.14193	0.5
59.02172	0.6
61.98837	100.0
69.14925	2.3
69.15348	1.8
125.02467	1.7
135.04588	0.6
139.00444	0.8
140.01163	5.2
151.04062	0.8
155.03510	5.1
169.01486	1.3
212.14447	0.6
243.03029	1.0
255.03024	3.9
271.02527	8.1
299.02161	1.5
300.02777	28.0
301.03271	1.4
315.05130	39.3
316.05383	2.7
477.10510	5.4
519.67523	0.6
541.19775	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	540.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35394	1.4
59.01382	2.6
61.98831	21.7
68.06651	1.4
71.01398	3.2
71.08154	3.1
83.01376	2.8
85.02965	1.8
95.01400	2.4
97.02959	1.8
97.05159	1.5
107.01402	7.6
110.86641	1.4
111.00890	1.9
113.02449	2.7
113.80250	1.8
114.71991	1.8
123.00919	9.4
125.02457	57.2
126.02779	5.3
139.00381	4.4
140.01137	3.7
141.01877	1.9
148.05324	18.9
149.05869	1.4
151.00377	10.0
163.07680	6.7
168.00711	3.6
169.01445	67.0
170.01775	8.3
181.12343	2.9
182.12605	3.9
185.74956	1.7
211.02573	1.6
211.13414	1.7
218.02147	1.5
225.11307	4.8
225.54384	1.5
226.11551	2.0
250.48506	1.6
289.07150	1.8
313.05701	14.7
328.14969	2.6
338.01355	1.6
377.05408	1.5
388.16251	2.7
420.48105	2.0
468.03876	2.2
477.14081	100.0
478.14114	12.2
540.17889	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	540.173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58535	0.6
59.01370	1.8
94.02981	0.8
97.28217	0.6
100.58601	0.5
107.01429	1.0
107.03792	0.7
107.04996	0.6
108.04567	2.5
109.03007	0.6
111.08165	1.1
117.87359	0.7
122.06145	4.6
123.00909	0.8
124.04082	1.0
125.02467	4.9
132.04610	1.6
135.03610	0.7
135.04549	5.4
136.04065	4.0
138.05589	0.7
140.01183	0.8
141.95448	0.5
148.04115	0.6
150.05624	2.8
152.07162	6.9
160.04063	5.6
162.01990	3.1
162.47307	0.7
163.02776	16.2
169.01457	5.0
169.23967	0.6
170.01889	0.6
173.08197	2.1
176.03534	4.4
177.04277	1.0
178.05119	100.0
179.05473	3.6
190.05078	1.3
192.06671	4.5
197.08279	0.8
204.03012	1.7
215.09184	1.1
222.04095	57.7
223.04445	2.3
257.10303	2.8
298.10886	2.4
300.99942	0.8
317.12555	2.4
325.11951	2.5
355.12805	1.1
357.14615	3.9
385.79733	0.7
464.18192	1.3
496.18359	4.8
508.17017	0.7
540.17310	14.0
541.17761	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	541.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.5
60.99322	8.8
61.98852	9.7
69.67464	11.9
69.67864	19.6
71.01415	6.1
76.33926	5.7
78.54269	6.3
84.94354	6.8
88.98819	57.7
89.02438	7.1
93.03477	35.0
98.22469	8.1
111.43308	5.9
113.02467	6.7
122.89518	6.1
123.00885	8.5
125.02452	84.5
137.02455	70.0
139.00412	7.0
150.03397	8.9
151.00414	12.5
154.85541	6.3
169.01454	96.2
195.06721	10.8
234.04332	7.0
271.04633	15.5
272.04831	12.5
273.05228	8.8
299.07623	8.0
313.05627	49.0
379.09702	8.8
407.09753	8.9
426.00455	7.5
451.08905	100.0
452.08926	6.5
541.16132	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	541.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00940	1.0
59.01379	2.0
61.98840	2.4
69.03456	1.6
72.75416	1.0
80.91685	17.3
81.03457	2.2
81.87646	1.0
86.14919	1.1
93.03474	1.4
97.02964	1.1
107.01411	3.4
108.96837	1.2
124.01659	2.7
124.17652	1.1
125.02455	66.4
126.02778	2.3
151.00439	2.9
153.01891	1.5
163.00433	2.1
165.12857	1.4
167.03447	1.2
168.00636	4.0
169.01434	67.5
170.01752	3.4
183.13921	3.0
185.06033	2.9
187.04121	1.2
197.06047	1.2
209.11830	1.1
211.04027	1.6
213.05615	1.4
216.96025	1.0
227.03508	33.6
227.12904	4.0
228.03891	1.7
229.05046	7.7
234.58765	1.2
240.04195	1.6
255.02988	49.7
256.03613	6.7
257.04623	5.7
284.03284	44.3
284.05872	0.7
285.04050	100.0
286.04388	5.7
287.07693	3.5
293.13922	3.1
297.02396	2.3
307.02271	11.6
325.02203	1.5
331.06772	8.5
339.03580	1.0
367.03012	6.3
384.40222	1.2
399.07254	2.2
439.06281	1.9
459.09354	66.8
460.09427	5.3
497.20319	11.5
499.22787	1.1
541.19098	18.2
541.26794	1.7
542.19641	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	541.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.0
60.99314	15.9
61.98824	3.6
72.90154	3.2
73.29570	3.2
88.98818	100.0
89.02464	5.2
93.03478	5.6
95.01389	3.8
101.02473	3.5
107.01392	5.7
109.02986	6.2
123.00911	15.2
125.02465	42.0
126.02808	5.9
126.45908	3.8
137.02458	15.9
139.00429	9.3
151.00412	8.8
168.00658	6.6
169.01437	54.4
170.01752	4.7
192.22711	4.0
193.01303	4.0
211.02525	12.5
271.04703	12.0
272.04956	13.2
273.04947	10.9
283.99255	3.5
313.05789	10.3
359.11365	6.5
361.11703	13.1
419.07733	5.7
451.12979	84.7
452.12790	12.2
467.20721	3.6
541.11530	4.9
555.82550	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	541.1356
Annotation	3,4',5-Trihydroxystilbene 4'-O-beta-D-(6''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
55.01869	0.4
58.99152	0.3
59.01399	0.4
67.01896	0.9
69.02562	3.2
69.03463	0.6
71.01398	3.3
72.99328	0.3
79.01913	1.0
81.03473	0.5
83.01391	0.5
85.02966	0.6
93.67597	0.3
95.01396	1.8
96.99348	0.3
97.02977	1.2
101.02457	1.2
107.01403	8.2
111.00888	2.0
113.02477	1.3
119.05031	0.4
123.00901	10.0
124.01751	0.8
125.02464	43.4
126.02790	0.9
127.00375	0.9
127.87338	0.3
136.98831	1.3
137.02466	0.8
139.00404	3.6
139.04022	0.5
140.01198	2.4
141.01970	1.4
143.05025	2.8
150.03316	0.4
151.00392	7.6
151.03992	0.4
153.01964	0.9
157.06683	0.5
159.08170	1.4
167.03566	0.3
168.00635	2.3
169.01445	55.9
170.01788	1.2
181.06561	0.4
182.07466	0.5
183.08171	1.6
185.06087	5.7
193.01373	0.5
193.05011	0.6
195.02971	0.4
197.81287	0.4
211.02560	1.3
223.02464	0.4
227.07159	35.4
228.07565	1.9
241.03571	0.5
247.94118	0.4
253.03563	0.8
298.28311	0.3
313.05701	19.2
314.06003	1.1
351.76202	0.3
427.35349	0.4
455.74716	0.3
458.96811	0.4
541.13550	100.0
542.13910	11.6
542.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1357
Annotation	3,4',5-Trihydroxystilbene 4'-O-beta-D-(6''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
59.01380	1.2
61.98820	1.1
67.01884	1.1
68.99183	0.7
68.99486	6.6
69.03468	1.4
71.01389	4.1
76.78492	0.6
79.01891	1.6
81.03471	1.2
83.01382	1.8
85.02958	1.4
95.01387	4.1
97.02962	2.5
98.21808	1.4
99.00890	1.1
101.02441	1.7
107.01400	13.1
107.05029	0.7
109.02991	0.8
110.00077	0.8
111.00880	3.2
113.02457	2.1
121.02966	43.2
122.03326	1.1
123.00897	19.0
123.04522	1.3
124.01697	1.4
125.02454	64.5
126.02811	1.3
130.62233	0.6
136.98828	1.2
137.02417	2.0
139.00366	7.4
140.01183	4.3
141.01929	2.0
149.02487	0.7
151.00352	8.6
151.03987	0.7
153.01915	0.6
157.06599	0.8
165.01965	0.7
166.99864	1.9
167.03552	0.8
168.00682	3.2
169.01434	64.9
170.01753	2.5
170.29420	0.5
179.03560	0.7
181.26952	0.6
185.06126	3.9
187.07629	1.7
195.04514	1.7
211.02524	2.0
213.05615	7.7
214.06206	0.9
215.07130	1.4
223.02577	0.8
227.07144	4.5
229.05090	1.6
231.06673	0.8
240.40511	0.6
241.03406	1.0
257.04559	4.0
271.06012	0.8
275.05634	0.7
289.07132	2.6
312.04953	3.8
313.05655	23.9
314.06189	1.0
343.07950	0.6
345.12766	0.7
367.42371	0.7
369.79614	0.6
419.09869	27.2
420.10138	2.2
541.13531	100.0
542.13818	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	541.1358
Annotation	3,4',5-Trihydroxystilbene 4'-O-beta-D-(6''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
54.15385	0.9
59.01366	0.9
61.98839	8.4
65.00298	0.9
68.86912	0.8
69.03436	1.1
69.29768	5.6
69.55329	0.8
71.01374	3.5
79.01891	1.3
86.63886	0.8
88.98790	1.4
95.01390	1.2
96.96000	1.8
97.02994	1.0
98.22507	1.2
98.95588	0.9
101.02456	1.2
107.01392	9.9
111.00890	2.4
113.02445	1.5
123.00918	9.4
125.02459	47.5
126.02758	1.3
134.03734	2.1
137.02481	1.2
139.00374	3.4
140.01132	3.2
143.05034	3.6
147.87041	0.8
151.00371	7.3
151.04106	0.8
153.01898	0.8
155.03493	2.2
157.06549	1.1
159.08092	1.3
167.03636	1.0
168.00684	2.0
169.01436	60.4
170.01740	1.7
178.02682	1.6
183.08162	1.7
185.06050	6.3
193.05064	3.1
211.02466	2.0
227.07152	42.7
228.07542	3.1
266.22791	0.9
300.02972	0.9
301.03156	1.6
313.05704	17.1
313.25031	0.8
316.05515	2.2
371.70358	0.8
372.14621	0.8
408.16553	0.9
486.75943	0.9
518.90552	0.9
541.13495	100.0
542.13922	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	541.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.8
67.01874	0.9
69.03442	1.3
71.01398	3.4
71.26672	1.4
72.99323	0.8
75.33101	0.7
82.95415	1.3
83.01409	0.9
85.02937	1.2
88.98809	2.6
91.04046	0.7
95.01424	1.6
97.02981	1.4
99.92630	1.0
101.02481	1.0
107.01402	9.1
109.02988	1.3
111.00890	2.6
113.02419	1.7
123.00909	9.8
123.04511	0.8
124.01715	1.4
125.02461	56.0
126.02873	1.8
127.00420	1.3
136.98820	2.2
137.02469	5.7
138.03230	2.3
139.00426	4.6
139.04024	1.8
140.01207	4.4
141.01981	1.2
150.03342	0.8
151.00372	4.8
152.04773	1.7
153.05580	1.8
165.01923	1.3
166.99777	0.9
167.03563	1.1
168.00665	6.5
169.01445	71.9
170.01802	1.9
183.03017	5.5
184.03841	0.8
197.04518	1.3
205.01175	0.7
209.00941	1.1
211.02473	1.2
212.06972	6.2
213.07692	2.7
225.04007	0.8
227.09325	3.1
241.03503	1.4
297.06201	1.9
300.99988	3.5
313.05646	17.6
314.06281	0.8
327.07199	2.9
379.10303	5.9
416.08337	0.8
465.81131	0.8
499.36356	0.8
512.97925	0.9
540.97778	2.7
541.15698	100.0
542.15985	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	541.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85196	0.8
65.00321	0.9
67.01899	1.0
70.67085	0.9
75.23641	0.9
81.41811	0.9
82.95412	1.5
84.60154	0.9
85.92831	1.1
88.05587	0.9
95.01407	1.9
107.01405	5.3
111.00918	3.4
121.03021	1.4
123.00896	13.7
124.01717	3.1
125.02464	25.1
126.02894	1.2
127.00388	1.2
136.01746	1.1
136.98834	2.6
137.02498	5.2
138.03256	1.8
139.00395	6.3
139.03987	4.9
140.01198	6.2
141.01894	1.1
151.00403	2.4
151.04048	3.8
152.04926	1.1
153.02036	1.0
153.05649	1.4
166.99886	4.7
168.00679	9.3
169.01453	54.5
170.01744	1.3
180.04399	1.0
183.03024	13.0
197.04604	2.3
210.01764	1.1
211.02539	3.8
225.04077	4.4
226.23265	0.9
265.35699	1.0
313.05765	1.3
359.94659	1.1
363.07324	3.1
364.08014	13.6
365.08627	1.3
378.09622	4.3
379.10373	100.0
380.10663	6.1
497.09872	1.2
541.15790	57.2
542.16321	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
59.01382	14.5
69.03463	0.8
71.01387	2.0
71.26707	1.7
73.02966	2.9
78.95947	0.7
83.01398	2.3
85.02964	1.1
85.46642	0.6
87.00885	1.1
94.16322	0.9
95.01405	1.6
97.02982	1.5
99.56967	0.8
101.02453	1.9
108.02177	3.1
108.38602	0.7
109.02973	5.7
111.00895	5.2
113.02512	0.8
119.08662	0.8
121.06606	0.9
123.00943	1.4
125.02470	7.6
126.56408	0.7
135.04564	1.1
137.09740	3.2
139.00392	12.3
140.01172	93.8
141.01981	4.7
153.01976	2.2
154.02718	4.0
155.03520	100.0
156.03845	2.4
161.09737	2.6
163.07642	2.6
169.01424	9.2
179.10851	1.4
181.08742	4.5
197.11806	3.7
223.09744	2.7
225.15028	1.0
227.12914	3.0
241.10779	3.2
247.09712	0.9
253.07285	1.0
265.10739	1.3
298.09009	0.8
299.07617	0.8
303.07336	1.2
317.08832	5.2
325.12900	1.7
385.15018	3.1
479.19379	1.8
481.17404	3.4
523.18103	1.3
541.19183	53.8
542.19482	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	541.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06858	0.3
52.57146	0.2
56.39504	0.2
58.76173	0.2
58.79472	0.2
61.98826	0.5
67.01910	0.3
69.03455	1.3
69.59296	1.3
71.01366	0.3
78.95949	0.2
79.01907	0.5
81.03468	0.7
91.24903	0.2
95.01405	0.8
97.02960	1.3
107.01414	1.0
111.00864	0.3
116.97258	0.2
121.02958	2.4
123.00900	1.3
124.01688	0.8
125.02459	58.6
126.02808	1.1
137.02478	0.5
139.00363	0.5
140.01152	0.3
146.35611	0.2
151.00395	0.6
166.99904	0.3
167.90494	0.2
168.00645	0.3
169.01440	100.0
170.01782	3.0
176.15384	0.2
185.06213	0.3
213.05673	0.5
227.07166	0.3
227.12891	0.2
232.07411	0.2
238.29373	0.2
289.07214	0.5
293.13950	0.5
312.04877	0.3
313.05664	1.6
314.22406	0.2
331.06808	1.2
348.75937	0.2
370.49872	0.3
371.17123	0.5
376.33807	0.3
419.09656	1.4
541.12830	5.3
541.19647	1.5
542.13885	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	541.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.0
59.01093	1.2
59.01379	21.6
61.98823	1.0
69.03454	1.5
69.24034	6.0
71.01363	0.8
78.95920	0.8
81.03464	4.1
83.01388	6.0
85.02956	0.8
93.03476	1.5
95.01414	1.2
95.05045	3.9
97.02953	5.1
99.04504	0.9
108.02187	0.8
109.02956	21.9
109.06621	0.9
111.00858	2.6
113.06065	0.9
121.02997	3.6
121.06642	1.0
122.03775	1.8
123.00871	0.8
123.04540	12.9
124.01684	3.8
125.02455	76.6
126.02777	3.1
127.02886	1.1
135.04521	3.0
137.02458	27.7
139.04048	4.1
140.34715	0.8
145.02959	12.4
146.03706	3.2
149.02469	5.9
150.03220	1.0
151.04028	10.1
157.06598	0.9
159.04507	8.9
160.05289	1.5
161.02512	3.6
161.06120	8.5
162.03177	1.7
164.01161	2.1
165.01942	4.1
165.12817	3.9
165.68275	0.7
167.03561	1.7
168.00633	3.7
168.99977	1.5
169.01434	31.6
170.01778	3.5
171.01903	2.7
174.03185	1.0
175.03999	2.6
175.07658	1.9
179.03491	4.7
181.05122	2.1
183.02995	8.3
183.04485	1.8
185.06082	4.7
187.04027	7.6
188.04807	5.3
199.07593	1.1
201.05544	4.5
202.06334	3.1
203.03262	0.9
203.07161	14.7
205.05099	7.5
207.13885	5.2
208.32034	0.7
209.06134	1.5
209.11839	5.0
211.03995	1.4
221.08189	3.0
225.05321	0.8
225.14955	1.9
227.07130	6.1
229.05020	2.4
230.02135	1.5
230.05823	2.5
244.50166	0.9
245.08203	23.9
246.08577	1.2
247.06113	2.0
251.13005	2.2
253.05055	11.7
269.13953	47.3
270.14304	3.3
271.06116	33.9
272.06436	1.3
287.09250	11.7
289.07196	100.0
290.07458	5.5
331.08185	1.9
357.67780	0.9
373.16495	1.2
391.17676	1.4
403.17551	4.0
413.19788	1.2
419.18527	1.2
435.21851	1.2
437.19595	1.3
479.20590	3.0
497.21854	5.9
523.19489	1.1
541.13586	1.5
541.20752	7.9
551.02185	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	541.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41240	0.6
57.03449	15.8
59.01372	0.7
59.91823	0.4
62.83877	0.4
63.02405	1.7
65.03954	3.1
67.01883	1.8
68.99855	0.6
69.03456	4.2
69.04028	1.3
69.04440	3.8
71.01380	5.9
72.98376	0.5
78.95897	0.5
81.03461	68.5
82.03799	1.6
83.01392	3.4
83.05023	2.6
91.05503	0.5
93.03458	2.1
95.05031	6.8
97.02962	4.1
99.03915	0.5
99.04523	1.8
104.54673	0.5
107.01431	1.1
107.05044	7.7
109.02940	1.1
125.02456	100.0
125.06073	1.4
126.02796	2.9
133.06596	1.3
135.04524	1.1
148.16626	0.6
151.04027	13.8
151.05258	0.7
151.07616	2.4
152.04330	0.8
168.00597	0.6
169.01439	2.7
177.05563	6.5
187.04071	0.6
205.05107	2.5
221.19112	2.6
223.06154	0.7
239.20157	1.2
241.07213	4.0
265.18231	1.4
269.13965	1.6
271.06110	1.1
283.19162	2.9
289.07193	1.8
299.22302	31.3
300.22720	2.6
317.21481	0.6
325.23804	7.0
326.24466	0.5
327.21756	8.5
328.22125	0.6
335.22192	3.2
351.25418	1.4
353.23346	8.3
354.23819	0.9
361.23807	5.5
362.24332	0.7
371.24438	3.6
377.27008	2.2
379.24902	14.9
380.25244	1.7
397.25970	6.1
398.26248	0.7
415.27057	11.7
416.27490	1.3
443.27466	0.8
479.29437	0.6
487.27078	1.5
497.31305	1.0
505.28278	2.1
523.29028	3.8
541.30194	11.8
542.30450	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	541.3024
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
57.07761	4.0
59.01387	98.9
59.64130	3.7
61.98831	5.9
71.01393	7.4
75.50454	4.8
89.02484	5.5
91.20947	3.8
113.02465	5.8
119.03563	4.6
125.02464	4.0
145.02971	5.7
319.22787	100.0
320.23175	5.2
401.44116	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	542.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59562	0.6
59.48380	0.6
61.98833	62.7
69.03451	1.2
81.03477	1.1
95.01426	0.9
97.02979	0.8
125.02454	48.2
126.02776	1.5
169.01434	100.0
170.01775	1.8
202.44104	0.8
409.49142	0.9
419.33466	0.6
435.55475	0.7
479.15659	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	543.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	15.0
68.07265	1.1
69.57069	6.9
70.88842	1.1
71.01399	1.5
88.98815	80.9
107.01409	3.7
111.00912	1.8
112.61478	1.1
123.00910	9.2
124.01666	9.4
125.02466	23.0
136.98878	1.8
137.02466	1.1
138.03307	1.5
139.00365	3.9
139.04045	3.6
140.01215	2.6
151.00398	5.0
168.00674	5.3
169.01447	32.1
170.01897	1.1
175.04047	1.3
183.03040	2.9
236.05792	1.3
301.38654	1.1
301.42081	1.2
313.05634	8.3
314.38507	1.1
327.07678	1.2
453.10428	100.0
454.10638	10.1
481.77179	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	544.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09521	1.7
57.03424	1.9
59.01380	2.6
61.98840	9.8
69.03483	2.7
70.57476	4.0
70.94813	2.3
71.01390	3.9
78.95933	2.0
78.98885	1.5
79.01936	2.2
94.13149	1.7
95.01424	2.5
96.96003	3.7
97.02940	2.1
101.02493	2.6
107.01372	9.5
108.02190	5.3
109.02959	4.4
121.02955	1.9
123.00852	8.8
123.04532	1.8
125.02455	34.8
128.97287	1.8
133.02940	1.9
135.00902	7.5
135.01845	1.6
137.02470	3.5
139.00439	2.3
139.04031	2.3
140.01131	2.5
150.03227	1.9
151.00410	5.8
151.04128	1.9
152.01157	7.3
153.01971	2.6
167.03561	3.3
168.00700	4.9
169.01442	37.7
170.01773	2.7
177.01921	2.6
183.03011	4.5
193.01454	2.1
193.98582	16.4
194.99391	4.0
289.07394	1.9
311.97290	1.9
313.05731	6.1
315.07309	2.0
363.18085	2.2
364.18286	2.5
407.98132	2.0
426.40222	1.8
437.10190	2.0
449.07202	10.9
481.09924	100.0
482.10248	9.7
544.15485	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	544.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	39.0
68.65175	1.9
69.39567	13.4
75.50735	2.3
77.17538	1.8
98.21829	2.2
107.01405	25.6
123.53403	2.1
125.02473	50.3
133.74788	1.9
139.04018	8.4
140.29520	2.2
145.02989	4.2
155.14240	2.2
168.00667	6.2
169.01440	68.7
176.70107	1.9
183.03012	18.3
203.36684	1.9
255.47646	2.2
297.98141	2.1
481.15088	100.0
482.15546	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	544.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34304	0.8
61.98835	100.0
63.28778	0.7
68.55195	0.6
69.38720	2.8
69.39151	2.2
83.97633	0.6
98.21802	0.6
145.02966	1.0
253.09555	0.7
309.20737	0.9
348.57782	0.8
464.70483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.9
61.10523	1.1
61.98836	100.0
69.02869	11.6
87.92903	1.0
87.95772	1.1
93.03457	1.7
109.54736	1.1
114.95718	1.2
135.27783	1.1
137.02466	4.1
165.58110	1.1
173.94882	1.2
197.95937	1.1
224.19130	1.2
291.50531	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	545.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
61.98842	11.9
62.03011	1.1
69.45464	7.9
71.01384	1.8
80.16427	1.1
97.43935	1.3
125.02473	1.7
132.02180	1.3
153.54099	1.3
157.22235	1.5
158.00154	2.3
169.01379	2.3
185.99641	2.8
187.00360	1.5
199.00294	2.4
200.01263	2.0
210.08817	1.3
212.98363	1.8
213.99037	2.5
214.99869	3.8
216.00562	3.7
226.99835	3.4
229.01387	5.3
241.98636	5.5
242.99300	4.8
244.00008	1.8
254.99377	5.7
257.01190	1.7
258.98856	1.2
269.98093	8.6
270.98880	22.9
271.99554	1.8
273.00632	1.4
283.99878	1.7
284.96863	2.6
285.00281	2.6
296.96887	1.4
297.97580	9.1
298.98367	25.1
299.99118	9.6
300.99854	7.1
309.20743	2.9
325.96948	5.8
326.97855	51.3
327.98489	11.2
328.99396	4.6
354.97372	22.4
355.98083	30.4
356.98737	10.2
376.32697	1.2
405.56271	1.2
442.21661	1.4
460.49136	1.3
494.83813	1.4
516.05518	1.5
517.06854	1.4
545.05786	100.0
546.06104	10.1
546.79083	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	545.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94600	0.3
59.01390	0.6
69.10910	2.6
79.95750	3.2
96.96022	100.0
98.22181	1.3
125.02457	0.5
151.00378	1.7
167.75847	0.4
173.39763	0.3
178.99852	0.6
211.04128	0.4
255.03076	2.1
271.02444	3.2
300.02814	5.7
301.03531	4.3
365.10510	0.5
399.00427	3.6
447.09344	9.7
448.09924	0.7
545.02271	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	545.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	17.0
59.23785	3.7
60.99303	14.5
67.27998	4.1
70.64388	8.0
88.98808	100.0
101.02448	8.8
129.28076	3.8
143.03526	5.8
163.06116	5.3
163.24078	3.3
205.07124	8.7
267.11511	3.4
455.17786	72.9
467.78879	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	545.1783
Annotation	Paratunamide C
Peak:m/z	Relative Intensity
55.16685	0.8
59.01373	2.7
68.08077	0.8
70.02989	1.4
71.01380	1.8
71.27657	1.2
72.00903	1.6
80.96503	0.9
84.95136	1.3
89.02405	0.8
92.05071	46.0
93.05415	1.0
96.96004	2.5
98.02493	22.8
101.02472	0.8
111.03276	13.2
113.02426	1.0
116.05062	3.5
125.02448	2.4
130.06651	15.4
131.05069	1.2
136.04062	38.1
137.04440	1.0
144.34325	0.9
146.06136	1.8
147.04533	11.5
155.24225	1.0
156.08189	1.4
158.09767	1.4
164.07179	27.7
165.07474	1.1
169.01437	1.2
173.07225	9.3
174.05618	31.3
175.05925	0.9
184.07683	17.1
185.07825	1.1
194.09825	1.2
199.05165	3.6
202.08760	12.1
218.04601	30.8
246.07736	28.6
247.08003	2.0
257.00861	1.2
303.11371	2.2
310.50928	1.0
321.12460	7.1
365.11487	12.6
383.12515	100.0
384.12772	7.6
485.15543	2.4
542.32416	1.0
545.18768	4.0
545.25604	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	545.1785
Annotation	Paratunamide C
Peak:m/z	Relative Intensity
50.57004	0.7
50.89016	1.0
57.03457	1.0
59.01376	3.8
69.00270	2.2
69.00683	8.1
70.02968	2.9
71.01363	1.6
72.00906	2.7
81.03465	4.6
89.02435	1.4
92.05072	59.7
93.05386	1.1
95.30332	0.9
96.96019	1.1
98.02486	27.9
99.99842	0.8
110.02500	1.3
111.03278	14.9
116.05077	4.2
118.06609	1.2
125.02467	8.6
126.90332	1.0
130.06647	17.0
131.05020	1.2
136.04056	43.9
137.04411	1.2
146.06119	2.6
147.04539	14.9
151.03984	1.3
156.08205	1.9
158.09796	1.1
164.01193	1.2
164.07178	28.9
169.01469	3.3
171.05597	1.0
173.07231	16.1
173.18153	1.0
174.05608	34.8
175.05971	1.5
176.73016	0.9
184.07693	20.7
185.13936	0.9
194.09778	2.4
199.05208	5.7
199.69341	0.9
202.08752	15.1
218.04599	33.3
218.81067	0.9
227.98730	0.9
246.07739	30.7
246.10281	1.9
247.07957	1.1
285.04022	1.3
303.11584	1.2
321.12506	6.4
365.11441	16.6
366.11713	1.6
383.12497	100.0
384.12793	8.5
425.13583	2.6
545.07538	1.3
545.18011	7.5
545.33264	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	545.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.5
57.03448	1.8
58.00606	3.4
58.34121	1.4
59.01384	64.8
68.58167	1.5
69.03448	7.9
69.12775	11.2
69.13194	3.6
71.01388	84.6
72.99313	5.4
73.02946	10.2
75.00887	2.1
81.03461	4.1
83.01402	4.1
85.02957	12.2
87.00881	3.8
89.02454	100.0
95.01408	3.7
96.96020	6.5
97.02972	11.7
99.00895	17.2
99.04527	2.8
101.02448	15.7
107.01393	3.4
109.03002	2.2
111.00868	1.7
113.02480	9.3
115.04057	4.9
116.79053	1.6
119.03516	3.0
122.03754	59.0
122.04657	3.0
123.00906	3.3
125.02462	63.6
131.03526	16.3
133.39227	1.6
135.04529	16.5
137.02480	1.7
143.03535	4.4
149.04581	23.8
149.05927	3.5
161.02443	5.7
161.04614	2.9
169.01477	12.2
175.04008	1.5
179.03534	2.0
189.01959	1.4
191.05659	11.6
192.11610	1.7
193.12350	1.7
204.03909	1.4
209.35065	1.6
217.01572	1.8
233.06680	35.0
233.15453	1.9
236.14172	6.6
249.04060	1.7
250.15738	6.7
251.16533	68.8
252.16812	4.1
281.66483	1.4
286.10577	1.6
293.08820	65.8
294.08923	3.3
297.09897	5.1
300.99994	5.5
514.44690	1.6
545.26294	7.4
564.54541	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	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02018	0.6
57.03436	0.9
58.48115	0.6
59.01380	8.0
61.98797	0.7
65.59945	0.6
69.03423	0.7
70.67985	0.5
71.01392	6.4
71.04994	0.9
75.00181	0.7
78.96162	0.5
81.46413	0.5
83.01373	1.0
84.02108	0.5
85.02930	1.4
89.02436	5.8
90.46706	0.6
93.76808	0.5
95.01401	1.1
97.02895	0.7
98.21873	3.1
98.22585	1.5
101.02448	6.4
106.25304	0.6
112.63059	0.5
113.02460	2.7
119.03500	1.1
123.08170	1.2
125.06050	0.6
125.09714	1.9
129.93712	0.6
140.62003	0.5
143.03458	0.7
145.72348	0.5
147.51956	0.5
156.77202	0.5
161.04568	2.7
163.11293	3.1
165.09279	0.8
165.12869	6.2
166.10080	0.7
179.05588	1.5
179.14380	1.9
181.12326	2.1
193.15973	2.3
197.11844	1.1
209.11815	2.0
223.13397	2.9
230.83838	0.6
233.44762	0.7
247.20645	7.9
253.09311	26.2
254.09796	0.8
273.18665	1.9
291.19690	82.6
292.19998	5.6
309.20746	100.0
310.21027	5.8
350.63873	0.6
393.83307	0.5
433.79868	0.6
505.33408	0.7
545.28931	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	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62260	2.1
52.32178	2.2
54.17773	2.3
57.16819	2.5
59.01365	5.2
61.98833	5.4
71.01390	7.2
73.02914	2.4
89.02451	7.0
93.38069	2.6
98.22543	4.5
101.02464	5.6
138.31302	2.2
165.12804	3.4
191.05630	2.9
197.11806	5.6
211.13452	2.8
229.14722	2.7
247.20692	4.5
253.09395	20.1
291.19672	33.3
309.20728	100.0
310.21057	6.8
545.29541	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	545.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14661	1.0
59.01378	8.5
59.23981	0.9
60.19513	1.0
61.98835	4.1
71.01385	6.3
79.01879	1.0
85.02969	1.3
89.02457	4.6
91.10310	1.3
97.06622	1.5
98.22160	5.9
101.02444	6.5
113.02484	2.5
113.09674	1.1
126.14947	1.0
141.09201	1.4
165.12852	2.6
167.10854	1.2
181.12306	2.6
195.13860	1.8
211.13406	3.2
221.15456	3.2
242.10808	1.1
247.20691	3.0
253.09271	16.3
273.18637	1.8
281.21341	1.9
291.19684	27.6
292.20029	2.0
309.20734	100.0
310.21115	7.5
545.29425	8.0
546.30072	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	546.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91905	4.4
69.62370	4.4
70.80931	4.0
88.98808	8.2
96.40024	3.9
96.96001	4.7
98.22609	10.0
99.92582	8.9
107.01368	6.9
111.61430	4.9
123.00854	7.2
125.02477	57.2
139.00436	5.9
140.01192	6.0
161.02431	4.4
167.03391	4.7
168.00685	17.1
169.01431	100.0
182.56097	4.8
193.01450	22.5
211.02533	56.5
250.59433	4.6
271.04517	26.0
276.69891	5.0
297.85922	4.8
313.05725	12.5
316.46704	4.7
483.07361	71.8
484.07764	7.9
546.98425	15.4
564.37195	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	546.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00095	4.3
55.80450	5.1
61.98817	7.8
63.16218	5.9
63.16586	5.8
71.12280	6.0
79.58301	5.8
85.24544	5.9
99.92609	17.7
107.07751	4.9
115.92063	9.5
123.00897	8.0
123.32516	5.3
125.02455	68.5
145.45509	5.1
162.82820	6.1
167.50383	5.4
169.01437	100.0
201.62360	5.1
206.66185	5.3
483.07480	76.5
484.08203	9.6
518.98511	11.1
546.98169	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84983	2.0
51.69523	2.3
56.31720	2.6
60.31069	2.2
61.98838	4.7
70.79002	6.0
88.98808	3.2
107.01388	4.6
111.00918	2.6
113.02439	3.2
123.00906	7.4
125.02470	29.1
139.00388	16.3
140.01183	11.2
141.01979	4.1
151.00377	5.5
154.02774	12.2
155.03461	2.7
168.00624	3.5
169.01468	33.9
169.05092	6.0
171.55493	2.5
183.02991	6.6
211.23633	2.3
233.04440	3.4
313.05685	6.2
325.41974	2.6
327.07080	2.8
389.92551	2.9
442.14709	2.6
483.11536	100.0
484.11816	5.7
547.11584	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	546.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82909	0.6
57.54499	0.7
58.88767	0.6
59.01396	1.4
65.53612	0.6
69.21456	5.7
71.01379	1.9
79.10773	0.8
85.03012	0.7
95.86007	0.8
98.22527	1.5
108.04582	2.2
109.02960	0.9
111.85342	0.7
122.06189	1.2
124.04082	1.0
125.02455	5.6
126.02848	0.7
132.02159	0.9
133.02977	13.4
135.04530	12.3
136.04051	3.5
148.04141	0.9
150.05647	3.2
160.04088	4.1
161.02463	49.0
162.01904	1.8
163.02779	14.7
164.03125	0.9
169.01447	6.6
170.01736	1.2
176.03523	4.3
177.05617	1.0
178.05113	100.0
179.03517	7.0
179.05455	4.2
204.03059	1.9
221.04532	3.1
222.04099	40.4
223.04405	2.0
224.99399	0.7
247.02623	1.1
248.22253	0.7
323.07758	41.9
324.08151	2.2
340.10477	3.7
384.09406	12.8
385.09863	0.8
502.13638	13.2
503.13931	1.5
546.12592	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	546.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.5
60.40454	1.4
61.98837	11.9
69.27824	10.1
69.28149	1.2
71.01377	3.9
73.98344	1.3
74.99675	1.4
85.02953	2.5
89.02502	1.4
92.05068	4.5
96.96004	1.8
100.53930	1.2
107.01400	3.7
108.36120	1.4
111.00852	2.1
123.00909	7.4
124.95650	1.2
125.02458	22.6
128.03535	2.0
136.04041	4.5
136.98872	1.5
139.00330	3.3
140.01151	3.4
151.00389	5.3
153.35536	1.3
168.00647	5.3
169.01445	24.4
211.02475	18.1
212.02763	1.4
271.04584	21.5
349.10147	1.5
353.64771	1.2
483.18790	100.0
484.19077	9.0
513.86505	1.5
546.18268	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	546.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56042	0.4
59.01389	0.8
61.98837	100.0
63.96224	0.5
89.02468	0.8
94.31894	0.5
98.21739	1.1
125.02520	1.4
139.96698	0.6
140.01198	0.6
155.03564	1.0
162.05659	0.5
169.01471	1.7
173.72713	0.6
298.98230	0.6
301.00134	0.6
348.03738	0.6
464.26248	0.5
483.19202	1.4
571.25128	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	547.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27386	3.7
58.89655	4.1
62.05777	3.8
68.97114	8.1
68.97525	40.3
69.89487	3.5
86.37141	4.3
88.98806	17.5
98.22459	9.8
123.00883	10.3
123.04499	32.3
125.02439	39.3
128.83890	4.2
151.00423	19.5
151.02873	7.2
151.04021	100.0
153.01956	85.0
161.02435	4.1
165.31448	4.0
169.01419	29.4
208.52316	4.2
245.00760	5.8
273.00418	7.7
287.05627	11.2
298.98364	5.7
299.16296	4.8
303.05148	98.9
304.05658	4.6
319.03879	4.4
457.07785	38.0
479.04898	11.7
484.07846	5.8
543.32275	4.8
567.96014	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	547.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.2
60.99307	3.0
65.00336	2.2
68.99826	2.5
69.35927	15.2
76.95579	2.7
83.01396	5.1
88.98811	17.7
107.01388	3.4
113.14933	2.2
121.48972	2.4
122.03630	2.2
123.00922	7.1
123.04535	28.0
125.02462	47.2
139.00372	3.0
149.02432	4.9
150.03278	5.0
151.00397	22.1
151.04024	100.0
152.04384	3.7
153.00708	5.2
153.01947	97.0
161.02483	4.6
166.99980	2.6
169.01431	23.0
170.01765	2.6
178.02751	2.2
257.04523	2.9
269.04504	2.7
287.05612	8.3
303.05115	100.0
304.05493	3.5
305.06744	3.1
450.11655	2.3
457.07715	39.6
457.13409	3.9
484.08456	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	547.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
60.99307	5.0
68.98624	5.3
69.03453	1.2
81.03460	0.9
87.75044	0.6
88.98813	27.5
95.01425	0.6
97.02971	0.7
97.48460	0.5
102.08685	0.6
109.02957	1.0
119.40912	0.5
123.00877	0.8
125.02460	47.7
126.02769	0.8
137.02455	1.2
139.03993	0.8
149.02458	0.8
161.02449	5.0
165.01978	1.2
167.03471	1.0
169.01442	100.0
170.01759	3.0
170.83153	0.6
179.03516	1.0
189.58199	0.6
193.01424	1.6
223.09709	0.9
258.06274	0.6
269.04605	0.9
287.05646	1.4
305.06772	4.9
331.04758	1.1
386.16589	0.6
419.13879	0.5
457.07855	9.2
458.08389	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	547.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32814	0.9
57.03460	1.7
60.99311	5.9
69.03459	1.0
70.96503	2.2
83.01421	0.8
85.68411	0.8
86.37872	0.8
88.98819	28.4
89.82172	0.9
97.02975	1.7
97.69936	0.7
109.03037	0.9
117.83775	0.8
125.02460	50.5
126.02852	0.8
128.34795	1.0
137.02464	1.2
139.04056	1.1
161.02464	3.2
167.03502	1.4
169.01443	100.0
170.01801	3.0
177.17899	0.8
193.01448	1.1
219.06558	1.1
239.11351	0.7
248.71515	0.9
287.05670	1.5
305.06696	5.1
331.04648	0.9
457.07755	6.9
566.92975	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	547.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01384	0.8
65.53384	0.4
71.01386	1.1
71.27348	0.7
83.18955	0.5
85.02969	0.6
92.05072	0.8
93.03478	0.5
101.02451	0.8
107.05034	1.0
108.02169	0.5
121.02972	0.8
123.00895	2.2
125.02465	3.1
133.02965	0.6
134.03758	3.3
135.04538	100.0
136.03929	0.5
136.04849	2.4
137.02403	0.8
149.02422	2.9
151.00395	0.6
160.04097	0.9
160.37662	0.5
161.02454	0.5
164.04799	1.5
168.00613	0.4
169.01440	3.1
175.00441	1.2
179.03510	73.0
180.03896	2.3
190.02711	3.6
205.05029	5.0
211.02328	0.5
223.06107	2.0
297.09741	0.8
341.08691	4.8
347.06744	0.6
349.20117	0.6
367.10367	13.9
368.10522	0.8
385.08768	0.6
438.52533	0.6
484.19119	1.0
503.15695	2.3
547.14435	9.2
548.14874	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	547.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	72.8
64.89291	5.7
70.25956	10.3
70.26330	19.5
71.01387	17.2
71.13106	6.0
81.50413	6.3
83.01396	16.0
85.02974	7.5
87.00883	17.2
93.03462	15.4
111.00889	8.4
115.00393	47.1
117.03483	6.1
119.05032	20.6
122.08498	6.1
122.87485	7.2
133.06578	10.6
139.00360	18.3
145.02942	17.4
145.06578	11.6
147.04507	12.0
157.01393	27.2
159.04448	7.1
161.06052	10.5
163.04088	6.2
171.04442	10.9
173.06042	11.4
175.02477	44.2
177.05566	20.5
185.06111	7.3
189.05583	7.3
193.05157	8.2
203.07133	23.6
217.05133	25.0
221.04568	77.8
225.11351	95.9
261.04074	58.2
277.07169	8.9
289.22906	6.6
291.05286	17.5
303.05148	54.4
321.06158	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	547.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.7
61.98842	1.5
67.01888	3.8
68.97766	1.1
68.98080	10.4
71.01379	5.1
79.01877	5.5
85.02945	1.9
89.02451	3.5
95.01405	6.4
97.02945	1.2
98.22150	5.0
101.02459	3.3
113.02441	2.5
113.75539	0.9
122.03722	2.6
123.00900	52.7
124.01193	1.5
124.27058	0.9
125.02457	2.5
128.03506	1.0
134.03754	1.8
135.04584	6.6
136.93523	0.9
139.00392	12.7
141.01927	7.8
143.72543	1.0
148.05330	5.4
149.06099	26.6
150.06885	10.5
151.00392	54.1
151.32259	1.0
161.04599	3.8
162.07010	1.2
163.07692	4.1
164.04788	4.7
169.01373	3.0
209.78717	0.9
218.13182	1.5
219.13904	1.8
232.14691	85.6
233.12285	0.8
233.12883	1.2
233.15372	14.0
247.13414	1.3
265.14429	1.2
275.16541	1.8
347.18716	9.5
349.19406	1.1
351.80786	1.1
385.16626	6.3
389.19937	1.0
395.20676	5.5
509.24005	10.4
511.24472	2.9
547.21899	100.0
548.22205	12.6
548.29822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33661	0.7
59.01389	1.0
61.98812	0.8
67.66563	0.7
68.98855	1.3
68.99249	6.8
71.01374	2.3
72.79239	0.8
78.95907	1.2
79.01883	1.5
80.94080	0.8
82.25226	0.8
83.01382	1.5
85.02966	1.1
87.00859	0.9
94.25436	0.9
95.01392	2.2
97.02971	1.4
101.02467	2.8
107.01395	9.2
111.00892	2.2
113.02479	0.9
122.03780	0.7
123.00897	14.3
125.02460	37.9
127.00397	1.5
136.98840	1.8
139.00366	8.2
140.01181	4.5
149.06047	1.9
150.06778	1.2
151.00383	10.2
151.07643	2.1
168.00650	6.1
169.01440	46.3
170.01820	1.2
205.52882	0.8
211.02473	0.8
232.14540	1.4
233.15491	9.8
255.09769	0.9
291.19867	1.7
292.19952	1.7
293.20349	1.6
309.20694	1.9
310.21088	1.9
311.21393	1.8
313.05685	11.1
323.22278	1.4
437.04507	0.8
523.66644	0.9
527.31152	0.9
547.21918	100.0
548.22260	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2191
Annotation	3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.91290	0.5
56.91875	0.4
59.01376	0.6
61.98840	0.6
67.01881	1.4
67.46237	0.6
69.03445	0.6
71.01398	2.6
71.27312	0.5
79.01914	0.9
83.01398	1.0
85.02951	1.1
93.03455	0.9
95.01381	1.5
97.02973	0.9
101.02463	0.8
107.01393	7.0
109.02957	1.2
111.00890	2.7
111.76176	0.5
113.02451	1.1
119.05066	0.7
122.03757	1.7
123.00896	11.4
124.01711	0.8
125.02456	33.7
127.00403	0.9
127.13475	0.5
135.04550	1.2
136.01674	1.1
136.98843	1.3
137.02452	2.1
139.00404	5.1
140.01175	4.7
141.01956	1.5
145.02969	2.6
149.06123	2.9
149.07130	0.5
150.06902	2.0
151.00385	7.9
151.03999	1.0
151.07660	1.8
153.01947	2.1
154.99860	1.0
155.03561	0.7
163.07658	0.7
167.03453	0.6
168.00639	4.2
169.01443	41.1
170.01807	0.9
184.25563	0.6
188.52563	0.6
211.02530	0.8
218.13124	1.4
219.13892	0.8
232.14775	3.7
233.15495	9.8
247.13287	0.8
297.06281	1.7
313.05670	10.2
369.97238	0.7
534.65863	0.6
547.21906	100.0
548.22144	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	547.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52707	15.4
61.98845	38.0
69.44010	100.0
98.21832	30.0
98.22397	31.3
106.12215	21.5
116.54758	15.8
143.04680	18.6
157.66740	18.5
169.01555	19.9
174.63313	21.3
209.11795	26.4
311.22430	20.0
345.20718	22.1
411.63565	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82682	1.1
59.01336	1.3
61.98839	3.7
66.79944	1.1
69.15004	4.3
69.15427	7.3
80.25880	1.2
84.69835	1.2
85.83947	1.1
103.75946	1.3
119.05039	1.8
123.00866	1.5
124.01690	1.8
125.02417	5.1
128.46793	1.1
153.01996	2.7
169.01500	1.7
175.74506	1.2
208.10358	1.2
248.15639	1.3
269.98029	6.7
285.00449	8.0
297.97559	22.7
298.98178	2.0
312.99918	44.8
314.00519	4.4
327.98419	2.9
328.02280	47.0
329.02838	5.9
343.04602	100.0
344.04962	7.8
351.21750	20.4
353.03040	2.3
386.27484	1.4
429.39886	1.3
485.17706	2.1
549.16058	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	548.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
59.76268	0.4
61.98816	1.5
65.33907	0.4
66.45029	0.4
69.28545	3.1
69.78934	0.4
71.01361	1.3
72.99306	0.4
89.02464	0.9
96.95997	0.5
98.22504	0.5
101.02423	0.7
107.01396	0.5
113.02459	0.7
119.05079	1.1
124.01618	0.5
125.02446	1.8
133.02985	0.6
133.05370	2.2
134.03746	3.5
135.04547	14.0
136.03992	0.5
136.04939	0.7
146.34286	0.4
147.03496	0.4
147.04524	2.3
148.05322	44.2
149.05809	1.9
150.03262	0.9
160.04068	0.5
161.02408	0.7
162.82039	0.4
169.01466	1.4
176.03540	4.5
177.04289	1.6
178.05118	30.4
179.05431	1.1
190.05128	11.4
191.05551	0.5
205.01469	0.5
253.08661	1.7
270.11295	0.6
275.28854	0.4
275.32782	0.4
296.09497	0.8
297.10083	13.5
298.10403	0.4
312.12442	100.0
313.12787	6.9
368.15060	1.0
380.83203	0.4
386.16138	1.7
485.13153	1.9
548.21399	26.0
549.21570	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	548.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	41.9
61.98831	100.0
66.41225	3.2
69.61620	13.1
69.62022	9.1
71.01388	11.9
77.37537	4.0
89.02463	4.3
90.38215	4.1
98.22105	10.3
101.02467	9.0
124.71943	3.7
161.04585	5.2
199.70665	3.7
229.52946	4.0
231.44174	3.4
233.15907	4.1
292.61993	3.8
311.22299	9.5
312.22632	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	549.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42682	1.0
59.01385	2.3
70.74819	0.9
71.01395	1.5
71.26685	1.5
73.02966	1.8
92.41681	1.0
96.96010	5.8
99.00936	1.1
99.92595	11.6
109.02979	3.6
116.92880	100.0
117.01929	1.7
117.92888	3.2
125.02492	4.4
137.02464	2.2
151.00401	1.1
163.02754	1.0
169.01439	5.3
180.06738	1.6
225.11311	2.8
236.05670	1.3
242.87712	1.0
255.02863	1.4
267.87784	1.0
294.72665	1.2
385.97812	1.1
388.17505	2.5
431.09671	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	549.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.6
59.01377	5.4
60.99315	13.7
61.98834	4.7
71.01391	5.4
74.02477	5.3
80.41857	3.2
88.98813	100.0
91.01901	4.4
98.22170	30.0
107.37112	3.2
117.62689	3.4
123.50050	3.5
125.02463	13.7
128.03566	11.2
135.00909	11.6
139.00375	3.2
140.01784	13.9
142.03333	4.5
143.04649	16.1
148.00337	3.1
151.25053	3.7
153.01904	7.6
161.02380	4.4
168.00723	5.9
169.01469	11.2
210.40118	3.8
227.00000	3.4
244.08005	18.9
254.07819	9.6
272.08969	23.8
276.10660	65.9
300.99979	4.1
311.44275	4.0
339.07278	4.4
387.14673	15.8
458.26636	4.2
549.23474	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44902	0.3
61.98817	0.4
77.03967	1.9
81.15451	0.3
85.28308	0.3
91.69400	0.3
93.03472	0.5
100.42678	0.4
116.41888	0.4
118.75339	0.3
121.02968	100.0
122.03310	3.2
131.77959	0.3
135.43529	0.4
165.01944	56.4
166.02304	1.7
180.05759	0.5
181.06612	2.5
197.06096	2.2
207.04492	0.8
223.04024	0.4
225.05574	1.5
234.80800	0.4
257.09756	1.2
276.99478	0.4
313.07227	1.5
357.06122	0.9
383.07742	0.4
417.09744	2.8
418.10281	0.5
450.56747	0.4
505.11609	1.8
549.10449	26.3
550.10614	3.0
555.17157	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	549.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	38.4
58.33828	0.4
59.01387	2.7
60.94187	0.4
65.00329	0.9
65.03974	2.7
67.01890	1.4
69.18217	2.9
69.18633	0.7
69.18800	0.5
71.01370	1.1
76.20991	0.5
81.03442	1.1
83.01397	0.9
91.01903	33.7
92.02223	0.6
93.97527	0.4
95.01353	0.5
95.17091	0.4
98.22391	0.9
98.23380	0.5
99.04529	25.8
100.04872	0.7
101.02457	8.1
107.01384	0.5
108.02211	1.0
109.02963	30.4
121.03030	0.5
125.02463	18.8
133.02988	0.8
135.00899	100.0
136.01277	2.0
137.02492	2.6
143.03513	0.7
148.15923	0.5
149.02451	0.6
153.01953	95.6
154.02315	2.0
161.02451	1.6
167.90842	0.5
175.04083	0.9
177.01921	1.6
189.01886	0.8
227.57350	0.5
243.06606	5.9
279.05115	11.1
280.05295	0.6
297.06174	18.1
298.06451	0.6
300.99567	0.5
305.09061	0.6
314.97644	0.6
330.00110	0.6
339.07236	32.4
340.07562	1.7
345.02582	0.8
351.21985	0.7
379.10416	4.5
405.11945	12.2
406.12555	1.2
447.12961	7.1
452.08075	0.5
549.23553	1.4
556.39771	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	549.1986
Annotation	SC-1
Peak:m/z	Relative Intensity
59.01388	36.2
61.98812	0.9
66.10936	0.8
71.01391	13.6
71.25349	0.9
72.99321	0.9
73.02950	1.2
75.00874	0.9
75.36830	0.8
83.01396	1.3
84.95093	1.2
85.02951	3.7
89.02457	10.4
95.01423	1.2
98.22058	0.9
101.02454	9.8
103.72867	0.7
105.03517	0.9
107.01386	0.9
107.77679	0.8
113.02455	4.1
119.03487	2.8
122.89022	0.8
125.02426	4.3
128.03535	0.9
132.02165	1.9
133.02975	32.3
134.03320	0.9
135.04556	4.4
161.02466	100.0
162.02827	4.3
163.11296	3.8
169.01445	4.9
179.03484	2.9
204.84059	0.8
207.10307	7.9
221.04335	1.2
245.00977	1.2
257.00848	0.9
275.01935	1.1
300.99988	7.1
304.27295	0.8
315.05179	1.0
387.16644	83.1
388.17020	7.7
394.25812	0.8
403.17175	0.9
417.25137	4.0
549.19800	40.9
549.28937	4.2
550.20148	5.3
550.27551	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	549.1987
Annotation	Eucommin A
Peak:m/z	Relative Intensity
51.37478	0.2
57.03549	0.4
59.01214	0.2
59.01482	0.4
59.77612	0.2
65.00422	0.2
67.01679	0.3
67.02013	0.4
69.04007	0.2
69.75933	0.2
70.91650	0.3
70.91968	0.3
71.01156	0.2
71.01487	0.4
72.99060	0.2
72.99397	0.3
81.03590	0.3
83.01546	0.5
95.01001	0.2
95.01566	0.5
95.13738	0.2
101.02599	0.2
107.01508	0.3
109.03110	0.4
110.00255	0.4
111.01077	3.3
118.68389	0.2
123.01089	2.1
124.00980	0.4
124.01915	1.7
125.01639	0.8
125.02649	9.4
127.00581	1.4
135.00929	1.0
136.99031	2.3
137.02629	0.5
138.03398	0.3
139.00395	3.6
140.00160	0.5
140.01181	6.8
146.63979	0.2
150.03448	0.3
151.00578	1.5
151.04121	0.3
153.02150	1.1
155.00090	0.4
155.03540	1.9
165.05739	0.2
168.00676	4.7
169.01445	8.1
170.01938	0.3
175.04131	0.3
181.01569	0.4
188.01083	0.2
192.09082	0.2
193.05074	0.2
217.05447	0.2
235.13588	0.5
265.14374	0.2
289.07138	0.2
303.05527	0.2
339.07309	0.3
341.13889	1.2
342.14630	0.4
343.15482	1.3
351.21793	1.5
352.22113	0.2
369.13550	1.0
386.13614	0.6
387.14523	100.0
388.14883	8.8
429.15482	0.8
495.57922	0.2
549.19507	9.3
550.19421	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	549.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68052	100.0
53.74259	91.4
55.41138	81.2
66.24318	90.4
78.58045	81.9
79.81668	91.2
97.21439	94.7
119.44980	87.1
152.31921	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95578	75.4
52.19224	67.8
70.83283	100.0
71.01388	90.5
72.59373	70.8
76.22559	89.7
78.95895	80.2
81.25071	78.6
90.64210	88.8
106.30447	73.3
106.36963	79.0
112.42583	69.0
125.55241	73.8
135.76262	86.6
194.54663	84.0
222.45935	73.2
241.01735	81.1
279.23419	92.9
296.63422	72.3
307.46497	76.5
333.19217	78.0
348.83890	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33354	0.4
57.73276	0.3
58.02983	2.2
58.05943	0.3
59.01382	1.6
69.97968	1.0
70.18050	0.3
71.01388	1.1
71.24680	0.3
71.28725	0.3
71.44230	0.3
83.23979	0.3
89.02435	0.6
94.02994	0.8
95.73323	0.3
95.92751	0.3
98.02491	0.5
105.44297	0.3
107.05027	0.8
108.04574	2.5
109.02962	3.7
116.92876	0.6
119.03647	0.3
119.05044	0.4
119.66939	0.3
121.02923	0.4
122.06116	1.5
123.04570	0.4
124.01675	0.4
124.04047	1.0
125.02469	2.6
132.04578	0.8
135.04532	4.4
136.04062	3.8
137.02467	2.1
147.04564	0.9
148.04021	0.7
150.05629	4.6
151.04129	0.4
160.04045	5.6
162.01987	3.2
163.02766	14.4
164.03148	0.6
164.07188	3.1
169.01482	1.8
174.05579	0.3
176.03543	5.1
177.04291	1.1
178.05112	100.0
178.08629	9.6
179.05449	3.2
179.09135	0.5
183.10295	2.1
187.04088	0.5
204.03021	1.8
206.08232	1.1
222.04095	81.2
223.04462	2.8
227.03468	0.5
233.04610	1.3
255.03140	0.8
260.48898	0.4
261.04218	0.7
280.03653	0.4
326.17679	0.5
344.18701	0.6
381.06223	1.0
388.17615	2.5
399.07153	1.1
399.12012	0.9
550.19318	12.9
551.08258	1.5
551.19257	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	551.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46088	0.5
59.01395	2.7
60.87248	0.4
71.01382	1.9
71.26323	0.8
85.02972	0.5
88.98798	0.6
89.02431	2.6
96.71517	0.5
99.92590	11.8
101.02450	1.2
104.66512	0.5
113.02453	1.0
116.92874	100.0
117.92873	3.5
119.03521	1.5
125.02499	0.9
125.85278	0.5
156.68658	0.5
169.01463	1.9
177.80582	0.6
300.02890	0.7
301.03418	0.9
382.94974	0.5
393.92401	0.5
433.08090	0.6
555.57532	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	551.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18218	1.8
50.64003	2.0
59.01366	2.9
60.99308	18.1
71.26372	2.9
83.55388	1.9
85.02953	5.3
88.98817	100.0
92.00700	2.0
94.22306	2.0
113.02469	8.5
126.50930	2.0
129.96790	2.1
137.66568	2.1
168.41110	2.1
200.04184	2.0
229.04994	6.3
238.04030	2.3
257.04605	4.3
285.04102	49.3
461.07239	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	551.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46871	0.6
54.72809	0.5
56.92129	0.6
57.03451	3.4
59.01363	1.2
61.98824	1.4
69.03449	2.4
69.27222	4.2
71.01381	3.8
73.02940	1.6
79.93572	0.7
83.01424	0.6
83.05025	1.0
84.95123	1.0
85.02944	1.8
88.98831	1.1
95.01400	1.2
101.02448	2.1
109.02968	1.5
111.00896	0.9
111.08170	1.1
112.28043	0.7
113.02429	2.6
113.06074	0.8
123.00899	10.0
123.04531	0.7
124.01684	16.6
125.02505	4.4
135.11778	1.3
136.01630	0.7
136.24782	0.7
137.02470	2.2
138.03239	1.0
139.04016	8.4
145.02962	1.2
151.50320	0.6
161.04626	3.9
161.05820	1.0
169.01433	1.5
179.10809	0.9
199.97531	0.8
200.01169	1.2
203.07199	0.9
215.97032	1.3
228.00673	1.7
230.99359	2.8
242.99297	1.8
243.96384	0.8
258.98886	2.5
267.16034	18.6
270.98868	3.0
271.06128	1.4
271.95966	1.7
283.99603	2.9
285.97467	0.9
286.98376	4.3
289.07233	2.7
298.98306	1.0
299.95551	4.2
299.99100	2.0
300.96255	1.4
300.99725	0.9
301.09280	0.9
311.99060	1.5
314.97879	20.8
315.98404	4.0
326.97910	1.5
327.01563	2.1
327.94910	1.2
327.98431	1.2
328.95892	1.1
328.99466	4.8
330.00186	2.7
342.97339	56.2
343.00516	2.2
343.98080	7.9
344.01941	1.3
356.98981	4.0
357.99698	55.2
359.00388	15.4
360.00870	1.0
373.02032	52.1
374.02509	3.7
387.03751	0.9
388.04404	20.9
389.05127	3.1
506.04242	0.7
521.05804	20.1
522.06134	1.2
535.99982	1.0
536.08136	19.0
537.08459	2.2
551.10492	100.0
552.10797	9.5
552.25085	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	551.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57300	0.7
61.78699	0.6
63.02374	0.8
70.60939	1.2
70.61282	0.8
78.95903	1.5
83.62726	0.6
102.05322	0.5
107.01367	2.2
108.02158	1.4
121.02966	23.2
122.03265	0.7
125.02454	0.9
135.00850	1.4
148.01669	1.7
151.00374	4.4
152.99619	3.0
163.00433	0.7
169.01373	1.7
178.99858	2.3
198.03149	1.0
199.04013	2.4
201.01938	0.8
207.49316	0.6
211.03990	1.0
215.03548	1.0
226.02771	1.7
227.03514	3.6
229.01360	0.7
243.02997	11.8
244.03526	0.8
254.02238	2.5
255.02988	23.5
256.03323	1.0
271.02496	61.5
272.02930	4.0
283.02490	0.9
299.01990	18.3
299.07111	0.8
300.02765	100.0
301.03363	14.1
429.08350	6.8
465.22906	1.3
491.32568	0.7
551.12018	37.5
551.24579	4.5
552.12451	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	551.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10723	1.5
59.01367	2.4
69.28797	8.8
77.30627	1.3
84.62519	1.5
92.05070	3.2
97.17764	1.4
98.02474	4.7
98.22484	3.2
123.00860	2.7
123.66328	1.5
125.02459	7.6
130.06667	1.5
134.03772	2.2
136.04085	2.2
151.00388	1.4
163.03992	2.6
169.01402	3.8
174.05540	2.2
179.08604	1.4
180.06598	2.3
199.03909	1.5
218.04512	2.3
227.03471	4.0
233.04550	3.0
255.03085	2.4
261.04089	3.8
269.04648	3.1
271.02490	26.7
295.06042	1.8
299.01990	75.7
300.02618	12.0
314.04373	28.4
315.05023	5.5
329.06680	100.0
330.07205	6.8
344.95477	1.7
351.21970	1.8
356.79703	1.4
388.97137	2.7
399.06979	3.6
399.12009	8.0
469.52390	1.6
477.10300	5.0
551.30811	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28096	1.0
61.98836	1.5
71.27013	1.1
71.49955	1.1
78.22178	1.1
80.85687	1.3
91.30905	1.2
93.03495	1.8
96.96023	2.7
109.02943	1.3
113.02460	1.5
121.02966	3.7
121.61304	1.2
122.03745	2.8
123.00861	1.8
125.02474	8.5
126.86604	1.1
133.03001	2.4
134.03758	35.0
136.01697	1.3
137.02472	9.2
139.03998	2.1
149.02432	6.4
149.06094	9.8
150.03242	29.4
165.05585	37.7
166.05869	2.1
169.01436	6.8
178.02728	26.6
180.04315	1.6
193.05072	100.0
194.05414	4.1
195.06636	27.8
214.85741	1.2
235.06227	1.6
282.09015	1.9
313.05643	1.4
341.10147	8.2
345.13257	1.5
352.14551	1.3
359.11301	1.6
371.11490	1.5
374.13541	1.3
389.12201	5.7
389.16727	2.1
507.14975	1.9
533.12463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37834	0.4
74.28698	0.4
93.03481	1.7
109.02964	0.7
117.03466	1.1
119.05051	0.7
121.02972	7.8
122.03793	4.1
123.00901	0.6
125.02442	1.5
133.02936	1.9
134.03757	44.9
135.04469	1.5
136.01677	1.0
137.02475	7.7
138.30527	0.5
139.04041	2.6
145.58957	0.5
147.04575	0.7
149.02457	15.9
149.06096	13.2
150.03241	32.5
150.06453	0.8
151.03735	0.8
161.02412	0.5
164.04794	2.3
165.05582	36.9
166.05920	1.0
169.01389	1.4
175.03966	0.6
178.02731	27.1
179.03139	0.9
180.04315	2.4
191.07172	0.6
193.05075	100.0
194.05380	3.4
195.06638	26.7
196.06960	1.6
206.05852	1.3
221.06094	0.8
221.08147	1.2
233.05986	0.7
239.07150	2.0
249.05431	0.5
250.06425	1.7
253.08635	1.1
254.09399	0.9
267.06570	1.7
282.08960	6.3
297.07840	0.9
297.11246	0.8
341.10312	31.3
342.10550	2.9
345.13388	0.6
389.12366	17.2
390.12814	1.6
462.51300	0.5
551.17535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24520	3.5
56.86916	3.2
58.13514	3.5
59.01380	36.7
62.43175	3.7
71.01380	27.7
72.99331	3.7
80.02828	3.3
85.02958	8.4
87.00854	5.0
89.02431	25.6
96.96038	6.4
107.01340	3.4
113.02430	5.1
115.41971	3.4
121.03009	5.6
123.00896	13.2
124.01636	10.7
125.02463	28.2
137.02452	6.9
138.03252	12.6
139.04013	11.8
151.00455	4.0
151.04077	5.7
153.05606	15.3
162.91936	4.2
165.01949	8.3
169.01466	30.9
175.04022	10.4
177.05579	3.4
183.02945	3.7
187.03999	7.8
193.04999	5.0
203.07144	4.0
211.02451	5.4
221.08368	3.9
233.08255	12.1
271.04553	5.8
300.99979	5.8
314.88785	3.7
327.08743	4.8
340.09641	4.6
341.10443	11.2
345.13403	5.0
355.11868	6.7
358.10553	10.0
359.11237	15.5
359.15121	20.1
371.11249	16.4
373.12955	14.6
374.13437	3.6
386.13602	7.0
401.15967	14.7
403.12479	9.2
404.14871	11.1
405.15457	5.8
417.97067	3.9
419.17191	65.5
420.17221	5.4
491.19016	11.7
503.15601	4.5
516.10016	3.8
536.18750	12.1
551.21582	100.0
551.29846	5.9
552.21667	11.5
554.01422	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	551.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	40.1
59.41530	10.5
61.98833	35.3
69.12466	52.2
69.12885	50.7
71.01389	43.8
76.11092	11.8
88.98811	13.1
89.02455	42.5
96.96031	23.0
97.02972	10.5
98.22498	24.7
103.00396	23.1
107.01418	14.3
117.03473	13.8
123.00928	23.3
125.02460	100.0
137.02469	28.9
149.02470	15.9
156.04274	11.7
161.02502	14.9
169.01468	49.4
187.74733	11.8
201.85635	11.5
205.32816	13.9
223.06105	13.0
242.14848	13.5
283.09915	29.0
300.81473	13.2
304.10699	14.2
311.09280	49.8
326.11719	43.9
341.13968	43.3
399.12973	21.6
407.54642	13.1
545.45819	13.3
551.13971	47.0
551.24030	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	551.2139
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
52.45704	0.8
55.01879	2.4
57.03449	1.6
58.00585	2.5
59.01094	1.8
59.01385	33.8
60.99299	1.4
61.98822	4.1
65.51460	0.8
67.17054	0.9
67.19686	0.9
67.66250	0.9
71.01391	25.1
72.59724	0.9
72.99303	2.8
73.02943	3.2
83.01388	3.3
85.02959	9.4
87.00892	1.9
88.98824	3.9
89.02455	17.1
95.01385	2.0
99.00864	1.2
101.02456	15.9
108.02199	0.9
113.02473	7.5
119.03515	6.2
121.02982	1.9
124.01693	2.5
125.02434	3.3
127.13479	1.0
128.41672	0.8
139.04037	3.6
149.04546	0.9
159.04515	1.4
161.04541	1.6
165.05589	2.0
169.01469	3.0
173.06154	1.6
177.05595	1.8
187.07664	1.3
191.07082	1.4
193.05009	1.4
214.40082	0.8
229.20277	1.1
253.05267	1.6
256.03745	2.1
271.06110	2.5
279.06479	0.9
283.06168	1.7
295.06296	1.6
296.06958	2.0
297.07767	1.9
298.08472	1.4
311.09259	2.8
325.10782	2.1
326.07712	2.2
327.08713	1.8
328.09402	1.6
329.10312	1.6
341.10358	10.5
343.11911	4.9
356.12671	3.5
357.13098	1.3
359.11438	12.8
371.11295	3.2
371.15515	4.5
374.13763	21.0
375.14212	1.5
389.16119	52.2
390.16220	4.9
527.73822	1.0
536.19696	1.6
551.21436	100.0
552.21808	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	551.2139
Annotation	Lyoniside
Peak:m/z	Relative Intensity
50.06467	1.5
58.00599	1.3
59.01094	1.4
59.01388	27.4
68.98874	2.9
68.99287	10.9
71.01387	20.1
72.99300	1.6
73.02943	2.4
83.01397	2.0
85.02940	4.5
87.00893	1.5
88.98824	3.9
89.02454	17.9
98.21732	2.6
101.02458	2.3
103.64527	1.5
113.02436	2.3
123.00871	6.8
124.01676	7.2
125.02489	1.4
138.03239	17.1
139.04008	4.8
153.05585	15.3
175.04022	1.4
187.04015	6.2
188.04834	2.0
201.05630	2.7
202.06381	8.4
203.07172	4.0
206.05980	2.2
217.05040	2.2
221.08220	3.7
233.05914	1.7
233.08125	11.6
255.10837	1.3
283.06079	1.3
294.05304	2.0
297.07855	1.6
298.04922	2.3
311.05759	3.3
313.07141	3.6
325.07251	4.2
326.07953	1.6
327.08850	5.8
328.09598	1.4
329.06735	1.2
338.08334	1.2
340.09622	4.9
341.06656	2.0
341.10321	8.2
342.11005	1.5
343.08139	2.9
343.11935	2.8
344.09015	4.2
355.11865	8.8
356.08978	3.0
356.12778	2.0
358.10608	9.4
359.11337	19.3
360.11713	2.6
371.11334	11.2
372.11990	2.2
373.12985	21.6
374.13278	1.3
386.13846	4.0
389.12402	6.9
390.13217	1.8
401.16110	15.6
404.14865	9.5
405.15485	5.9
419.17160	59.4
420.17395	3.4
505.17270	2.0
521.16565	1.7
536.19183	10.6
551.21381	100.0
552.21729	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03322	0.4
51.25484	0.4
57.03458	0.7
59.01386	0.8
61.98840	2.7
67.42393	0.4
69.03466	0.9
69.09710	1.0
69.10115	3.0
71.01385	1.9
72.83208	0.4
73.02950	0.7
78.95895	0.9
80.02678	0.6
80.36384	0.4
83.01392	1.2
85.02961	1.3
87.00862	0.4
93.03452	0.6
95.05068	1.1
97.02977	0.5
99.00873	0.5
99.04541	1.1
101.02438	1.1
107.05051	0.8
109.06605	1.0
111.00880	4.4
112.74964	0.4
113.02425	1.1
115.59780	0.4
119.14468	0.4
121.02984	0.7
121.06608	1.7
121.46059	0.5
123.00924	1.2
123.04543	1.2
124.01694	0.5
125.02438	4.3
133.06592	0.6
136.98810	0.4
137.02483	0.6
139.00378	13.8
140.01169	90.8
141.01857	2.9
141.45358	0.5
152.99609	0.9
153.01976	1.9
154.02756	3.2
155.03516	100.0
156.03845	2.2
161.02498	0.8
163.07634	1.1
167.03500	0.6
168.00667	0.5
169.01424	2.6
189.12834	3.3
197.04593	0.6
201.53879	0.4
205.08739	1.0
207.13939	2.7
231.13925	1.2
233.11757	0.7
240.53223	0.4
251.12915	5.6
255.13820	0.8
257.11896	1.2
270.98828	0.8
273.15106	0.5
275.12943	1.4
289.14319	0.7
299.07697	0.9
299.12930	3.9
303.07269	1.0
310.67441	0.5
313.22064	0.4
317.08786	31.8
317.13910	5.0
318.09146	0.7
365.23047	0.7
373.20010	0.9
391.25024	0.8
395.17065	2.8
439.60321	0.4
478.05249	0.6
481.85031	0.4
498.29126	0.5
532.96942	0.4
533.20245	0.7
533.30865	1.0
551.08582	0.6
551.20813	13.5
552.21527	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	552.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16870	2.1
59.01374	3.4
61.98838	18.2
71.27233	4.0
87.27014	2.1
89.02492	1.8
90.94630	2.1
96.50361	1.9
99.00872	2.4
107.01408	21.4
109.02948	3.4
121.02954	2.0
123.00970	3.1
125.02464	49.1
126.02785	3.4
131.25787	2.2
139.04102	2.3
151.00363	11.7
163.00362	3.4
169.01433	60.7
170.01801	6.6
175.04015	2.1
178.99864	6.5
204.03116	4.6
229.01292	3.2
243.03075	7.7
255.03014	19.6
256.03784	2.8
271.02484	48.9
272.02844	4.4
275.01968	4.1
283.99631	2.7
299.99350	3.4
300.02750	86.0
300.99924	46.7
301.03528	37.4
302.00259	9.7
302.03717	2.5
366.09790	3.3
452.58029	2.3
489.10443	100.0
490.10849	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	552.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	36.4
69.03451	12.0
71.00514	9.1
71.01379	21.5
73.47499	3.9
88.43690	4.3
108.24376	3.9
273.76270	4.8
355.26105	4.8
427.28983	5.6
489.28659	100.0
490.29199	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	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82667	5.1
53.75580	5.9
71.26292	5.4
78.95924	8.0
85.18830	5.5
94.04536	5.5
175.29948	5.6
186.69205	5.5
238.19815	6.2
277.21729	100.0
278.22122	11.3
390.81442	5.5
502.29605	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02262	19.6
60.66037	19.8
62.25344	21.5
96.95999	18.8
124.01717	29.8
125.02449	75.1
128.36725	20.0
229.46123	22.7
255.03026	25.3
271.02512	57.0
271.05823	21.0
285.04135	43.0
300.02808	100.0
407.84277	19.4
436.65030	21.0
458.94653	24.1
470.09088	18.9
475.09140	21.5
517.09869	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95345	1.8
59.01380	14.9
60.08264	1.6
60.99319	17.9
61.98831	7.0
71.01385	9.9
71.26665	3.5
77.95947	2.0
83.01388	2.3
85.02954	3.4
85.30503	1.8
88.98817	96.8
89.02460	8.8
94.05238	1.9
101.02469	8.0
105.41975	1.9
106.76302	1.8
107.01402	9.8
111.00881	2.2
113.02452	2.5
123.00931	3.3
124.03735	1.7
124.44309	1.9
125.02460	19.6
135.56807	2.2
137.33582	2.3
151.00308	11.2
168.00775	2.8
169.01440	23.7
177.05574	1.9
243.03018	6.5
254.02310	2.5
255.02991	16.9
271.02505	41.4
271.05310	3.8
272.02957	2.3
300.02795	75.0
301.03516	29.3
302.03799	2.6
329.06757	2.4
342.10699	4.0
343.11044	3.2
360.11810	2.1
361.12161	4.5
375.14240	3.0
376.14264	6.0
389.16183	4.5
390.16379	12.3
391.16925	18.5
441.07465	2.0
463.08868	100.0
464.09161	7.2
490.13715	5.0
491.12766	2.3
525.34021	2.3
552.21930	9.7
553.13947	15.9
553.22620	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66191	3.1
60.99318	16.5
69.00265	2.7
71.26011	5.8
73.91949	2.8
88.98816	100.0
254.52606	2.8
287.97202	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	553.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	0.7
59.01385	12.4
61.98831	0.5
71.01035	0.5
71.01381	3.1
73.02950	3.2
78.95908	0.8
79.95738	2.3
85.02957	1.2
87.00906	1.2
87.04553	0.7
89.02454	1.9
89.56253	0.5
96.96018	100.0
101.02459	3.8
103.04020	1.9
114.93412	0.8
115.04001	1.1
129.05585	1.2
131.03491	1.7
132.51398	0.5
143.03484	1.6
161.56099	0.5
163.06120	2.2
169.01445	1.1
205.07207	4.1
244.21832	0.5
300.99756	1.4
455.17719	32.2
456.18060	2.1
493.12415	0.9
499.07083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01385	34.1
71.01392	8.4
71.25880	2.8
73.02940	7.3
78.95905	7.2
85.02943	2.6
87.00885	4.8
87.04499	1.7
87.61057	1.8
89.02447	6.5
96.96019	56.7
96.96952	3.0
101.02458	12.5
103.03996	5.3
115.03986	3.3
118.19884	1.7
118.65682	1.7
119.03492	2.0
121.32024	1.6
124.13081	1.9
125.02468	4.2
129.05537	2.0
131.03503	4.1
132.31761	1.6
133.01411	3.2
139.56142	1.7
140.70863	1.9
143.03502	7.4
163.06114	3.6
169.01382	3.6
191.01971	2.7
205.07156	11.0
234.35365	2.2
455.17743	100.0
456.18256	10.4
458.62180	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	553.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
69.03456	2.3
69.38118	3.2
72.99319	0.5
73.78599	0.4
83.01389	0.9
95.01409	2.1
97.02956	2.2
98.22527	1.0
107.01400	1.3
109.02990	0.9
121.02907	0.6
123.00900	6.4
124.00749	0.8
124.01678	19.2
125.02462	42.3
126.02798	1.2
133.02950	0.5
137.02478	2.6
139.04001	0.5
149.99603	25.4
151.00352	2.9
163.00508	0.4
165.01955	0.5
167.03523	1.6
168.00658	51.4
169.01424	5.6
193.01451	0.8
224.76111	0.4
245.62666	0.5
315.11530	0.4
387.16470	0.8
427.08908	1.1
445.09912	100.0
446.10309	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	553.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60007	0.4
60.13243	0.5
61.98839	100.0
88.54765	0.5
113.52921	0.4
118.23815	0.5
193.04961	0.5
241.08118	0.5
327.98676	0.7
343.01102	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	553.229
Annotation	TMC 2B
Peak:m/z	Relative Intensity
52.14388	0.9
57.03451	6.1
59.01092	2.0
59.01384	37.0
61.22753	1.0
61.98815	1.6
62.06233	0.9
69.03472	1.4
69.58121	1.7
69.58527	4.1
71.01094	1.0
71.01390	12.1
73.02949	7.2
78.95905	3.0
79.62636	1.0
80.02698	1.2
82.75153	1.0
83.01385	8.1
83.05032	1.6
85.02963	6.5
87.00880	1.4
95.01389	3.3
95.05021	1.0
97.06580	1.1
99.00901	1.7
99.04528	4.0
101.02435	8.4
107.05054	1.2
109.06585	2.6
111.00892	1.9
113.02461	5.5
121.02975	1.4
121.06618	3.1
122.03764	1.5
123.00895	43.2
124.01675	72.3
125.02479	23.4
127.97504	1.0
138.03246	8.3
139.00406	2.0
139.04022	49.3
140.04379	1.6
149.02422	2.2
150.03255	6.8
151.03932	1.1
152.99617	1.8
153.01926	2.5
161.04584	6.4
163.03886	1.2
163.07645	1.5
165.05563	3.4
165.12820	5.5
168.00652	1.5
169.01442	4.4
181.05089	1.2
183.03001	1.9
189.12845	4.2
191.10812	4.2
195.06635	2.2
207.13907	34.0
209.11836	26.3
231.14073	1.7
233.11871	11.8
251.12906	9.7
269.13959	6.8
287.07736	1.2
293.14001	1.5
299.12958	1.5
301.09265	4.5
317.13956	3.6
335.15018	1.0
353.16022	1.7
413.18356	2.2
535.21716	8.0
536.22607	1.4
547.51019	1.0
553.22974	100.0
554.23407	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	553.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14388	0.9
57.03451	6.1
59.01092	2.0
59.01384	37.0
61.22753	1.0
61.98815	1.6
62.06233	0.9
69.03472	1.4
69.58121	1.7
69.58527	4.1
71.01094	1.0
71.01390	12.1
73.02949	7.2
78.95905	3.0
79.62636	1.0
80.02698	1.2
82.75153	1.0
83.01385	8.1
83.05032	1.6
85.02963	6.5
87.00880	1.4
95.01389	3.3
95.05021	1.0
97.06580	1.1
99.00901	1.7
99.04528	4.0
101.02435	8.4
107.05054	1.2
109.06585	2.6
111.00892	1.9
113.02461	5.5
121.02975	1.4
121.06618	3.1
122.03764	1.5
123.00895	43.2
124.01675	72.3
125.02479	23.4
127.97504	1.0
138.03246	8.3
139.00406	2.0
139.04022	49.3
140.04379	1.6
149.02422	2.2
150.03255	6.8
151.03932	1.1
152.99617	1.8
153.01926	2.5
161.04584	6.4
163.03886	1.2
163.07645	1.5
165.05563	3.4
165.12820	5.5
168.00652	1.5
169.01442	4.4
181.05089	1.2
183.03001	1.9
189.12845	4.2
191.10812	4.2
195.06635	2.2
207.13907	34.0
209.11836	26.3
231.14073	1.7
233.11871	11.8
251.12906	9.7
269.13959	6.8
287.07736	1.2
293.14001	1.5
299.12958	1.5
301.09265	4.5
317.13956	3.6
335.15018	1.0
353.16022	1.7
413.18356	2.2
535.21716	8.0
536.22607	1.4
547.51019	1.0
553.22974	100.0
554.23407	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	554.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24532	2.3
55.66028	2.1
59.01368	3.0
61.98836	100.0
71.01398	3.0
71.26878	2.2
83.01371	2.1
88.98822	3.6
115.90451	2.3
116.92905	3.2
117.10262	2.4
123.00905	4.4
125.02455	13.9
137.02446	2.6
138.03226	4.1
149.02385	4.1
150.03247	5.6
151.04027	3.9
153.05588	3.7
161.02393	3.4
165.05566	7.0
169.01445	13.4
177.01878	2.3
179.90717	2.0
181.05200	2.3
285.00488	3.4
289.07019	2.8
297.97574	9.6
301.00043	2.5
312.99945	22.9
328.02301	15.7
476.06238	2.5
491.08234	28.5
492.08859	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	554.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68927	3.7
71.27166	4.6
71.27567	5.5
82.41645	4.7
107.01365	5.5
109.02995	6.5
115.68760	3.9
123.00912	6.0
125.02480	79.7
126.02806	5.5
137.02478	9.3
151.00414	10.6
151.04033	7.4
159.04483	3.9
161.02463	10.3
165.01884	7.2
166.99878	5.7
168.00607	4.3
169.01433	100.0
170.01799	8.4
178.99942	6.4
242.02107	4.3
247.02547	5.0
259.02509	6.2
270.02124	4.0
271.02429	26.8
287.01990	16.4
289.07260	5.1
297.14816	5.0
300.99820	6.3
305.48560	3.9
309.28699	5.4
316.02271	56.1
317.02994	12.6
403.14145	4.2
485.81696	4.3
491.08279	55.8
492.09018	4.8
517.95947	4.8
536.62836	4.3
555.17157	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	554.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
60.92244	2.2
61.98561	2.8
61.98839	35.7
68.96486	26.5
71.01387	8.8
89.02464	3.2
95.05074	2.6
107.01398	7.6
109.03002	2.5
113.02435	2.7
123.00877	5.8
123.04524	2.4
125.02464	46.5
133.02954	3.6
137.02390	2.4
139.00375	2.8
146.76149	2.2
151.00363	4.8
153.92389	2.6
169.01457	72.3
170.01825	3.0
177.01953	77.2
191.03732	2.7
211.02480	6.4
222.23085	2.4
247.15762	2.1
271.04724	6.4
300.99878	5.8
313.05673	43.0
392.92621	2.8
491.08316	100.0
492.08575	8.7
554.22858	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	554.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38753	0.4
55.55191	0.4
59.01381	1.1
61.98837	100.0
70.87798	0.4
71.27000	0.6
71.98470	0.4
76.84930	0.4
79.63996	0.4
89.02478	0.4
96.96036	0.4
125.02452	2.1
126.02817	0.6
142.76479	0.4
151.04076	0.5
155.08746	0.4
169.01501	1.4
200.37187	0.3
206.93011	0.4
226.52357	0.4
226.58719	0.4
231.42728	0.5
271.06195	0.4
289.07263	0.7
301.03461	0.6
313.03680	1.2
491.12408	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	554.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38739	0.3
57.03450	0.4
59.01379	1.2
61.98838	100.0
68.09682	0.2
70.30662	0.8
70.31004	0.2
71.01408	0.5
84.20319	0.2
85.41020	0.2
89.02462	0.6
95.42210	0.3
99.04549	0.4
101.02496	0.4
118.79499	0.2
121.57286	0.2
124.01670	0.3
125.02477	1.6
137.02469	0.3
139.04071	0.3
145.02985	0.4
149.02536	0.3
158.04170	0.2
160.72969	0.3
161.04631	0.4
169.01472	0.6
172.02086	0.2
200.04112	0.3
249.15019	1.2
269.17661	0.3
271.02585	0.5
289.07288	0.6
299.02026	1.7
300.02570	0.4
314.04453	1.6
329.06680	3.6
331.79459	0.2
470.73480	0.3
491.12326	0.5
554.25476	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	554.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98837	100.0
62.98555	0.2
69.03608	2.3
71.01417	0.2
75.00845	0.2
88.98827	0.3
90.71499	0.3
96.96018	2.1
97.02969	0.2
98.21773	0.4
100.04368	0.2
107.01463	0.4
112.48029	0.2
116.92857	0.3
117.80955	0.2
120.01286	0.6
121.03008	0.5
123.00912	0.7
125.02459	2.4
126.02795	0.3
133.03021	0.3
136.05354	0.2
137.02467	0.5
139.00421	0.2
149.02448	0.4
150.03242	1.8
151.03979	0.5
153.05499	0.3
163.00414	0.4
165.01978	0.3
165.05603	1.5
168.00723	0.3
169.01457	3.1
170.01836	0.2
175.02483	0.2
182.02272	0.8
193.01576	0.3
195.06725	1.0
197.04620	1.5
241.07309	0.5
242.02286	0.5
257.04547	1.6
263.38086	0.3
268.03787	0.3
270.01849	0.6
271.02499	2.4
285.04053	2.9
286.04846	1.7
287.06055	0.3
299.01929	0.3
300.99960	1.5
313.03510	0.6
314.04321	3.2
329.06683	12.6
330.07224	1.1
341.08694	0.3
343.11813	0.4
344.12311	1.2
385.44766	0.2
391.14142	0.7
392.14407	1.0
393.12009	0.4
403.12805	0.3
491.11969	4.3
492.12619	0.3
554.16174	0.7
555.16675	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	554.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52640	0.6
57.03458	0.7
59.01380	4.6
61.98838	100.0
71.01370	0.8
71.27560	1.1
76.36578	0.7
85.02950	1.0
88.98805	0.9
107.01458	0.8
109.03015	1.6
116.92899	0.9
123.00905	1.4
124.01705	1.5
125.02479	7.2
137.02522	1.2
137.09781	1.0
139.00412	1.9
139.04041	4.5
149.02504	0.8
149.99635	1.2
151.00471	2.8
151.04042	0.9
152.07188	1.6
154.02791	2.0
168.00693	2.1
169.01518	3.2
169.05151	2.8
177.02075	1.1
183.03011	3.8
196.27789	0.7
235.15515	0.7
281.09497	1.1
301.03668	5.3
325.45090	0.7
446.17471	1.0
476.63678	0.8
515.67877	0.8
522.18927	0.9
554.16827	1.9
555.21338	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	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36830	2.1
69.05975	4.1
69.06387	17.7
78.95907	23.4
86.97208	2.1
152.99628	2.9
168.04343	4.2
179.28996	2.4
224.06924	8.6
242.07986	2.9
279.23315	100.0
280.23703	6.3
504.31046	64.6
505.31293	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	554.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21439	1.8
69.95343	7.0
74.37870	2.1
78.95896	4.8
94.92500	1.8
96.51635	1.9
98.22505	2.4
120.93292	2.0
166.44101	1.9
171.35010	2.9
242.08026	3.2
279.23312	100.0
280.23703	7.1
504.31018	28.7
505.30908	4.7
583.91492	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	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.3
70.73692	4.2
71.82929	1.6
78.95910	18.4
82.60355	1.4
99.37357	1.5
152.99599	3.8
168.04291	3.4
224.06952	7.0
242.07991	2.9
252.22617	1.6
255.23305	100.0
255.77042	1.6
256.23550	7.4
275.04205	1.6
309.63849	1.5
480.31052	54.3
481.31360	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	555.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74906	0.3
53.53830	0.4
59.01387	7.0
61.98829	1.8
63.02401	1.5
63.79533	0.3
65.00327	2.7
66.00726	0.3
67.01897	0.3
69.42626	2.0
71.01383	0.8
78.95904	0.4
79.95744	0.7
83.01398	2.4
88.98806	0.4
91.01910	0.8
93.03469	1.3
95.01414	0.4
98.21809	0.3
101.02460	0.5
104.43866	0.3
107.01404	6.6
108.02233	0.4
109.02968	6.5
111.00943	0.4
113.02437	0.4
119.01416	1.2
121.02964	6.6
124.01691	0.4
125.02455	9.7
127.30639	0.4
135.00945	0.8
136.01659	0.4
137.02409	0.5
139.04042	0.8
148.01643	0.5
149.02454	1.5
151.00389	22.8
151.03979	0.8
153.01918	0.4
159.04558	1.1
161.04617	0.3
161.06125	0.5
163.00392	6.6
164.01176	0.6
165.01875	0.5
167.05026	0.6
169.01448	13.9
171.04562	0.4
173.06061	0.8
174.18448	0.3
175.03996	0.9
178.99873	11.2
182.72182	0.3
183.04504	1.4
185.06180	0.7
187.04143	0.8
189.05444	0.3
190.99843	0.5
192.98141	1.8
196.00096	0.4
199.04063	0.7
201.05705	1.5
203.03583	0.5
205.05098	0.4
211.04074	2.4
212.04742	0.4
213.01970	0.8
214.02708	0.5
215.03601	0.4
217.84210	0.3
227.03508	2.9
228.04073	0.6
229.05110	2.3
239.03531	0.9
243.03024	0.6
245.04585	5.0
248.61519	0.4
255.03015	6.5
256.03528	0.7
257.04556	0.6
266.02148	0.5
271.02509	1.9
271.05746	0.4
273.04065	3.1
283.02512	3.9
284.03189	0.6
289.07239	0.5
300.02890	2.1
301.03561	100.0
302.03885	6.3
345.98297	0.3
354.27084	0.3
363.65994	0.4
403.19830	0.4
475.08694	1.8
493.63870	0.3
555.04492	3.4
555.18073	1.0
556.05389	0.4
582.59271	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	555.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74862	0.5
57.03432	0.5
59.01389	8.0
61.98836	0.7
63.02400	2.0
65.00333	4.0
69.14732	3.9
71.01390	1.2
72.87396	0.4
78.81748	0.5
78.91880	1.2
79.95743	0.8
83.01408	2.9
85.02966	0.5
91.01939	0.6
93.03456	1.1
96.96029	2.7
101.02438	0.7
107.01405	8.4
109.02979	4.4
119.01376	0.5
121.02964	6.8
123.00901	0.5
123.04519	0.5
124.01702	0.7
125.02438	4.0
128.46320	0.5
135.00885	0.8
137.02446	1.1
139.04045	1.0
140.01202	0.5
148.01578	0.4
149.02466	1.3
150.03249	0.6
151.00381	31.1
152.00826	0.6
153.01923	0.4
157.06665	0.5
159.04517	0.5
161.02477	0.8
161.06136	0.6
163.00385	3.8
163.04030	0.9
164.01065	0.9
167.04903	0.5
169.01463	3.7
178.99863	13.1
183.02927	0.4
183.04506	1.0
187.03975	1.0
189.05507	0.5
192.00723	0.5
193.01408	0.5
201.05594	1.3
205.05190	0.5
211.02409	1.7
211.04063	1.9
226.04819	0.6
227.03551	2.4
229.05023	1.6
239.03410	0.6
239.64661	0.5
241.04907	0.5
241.07199	1.8
243.03001	1.2
245.04599	2.1
249.14944	0.7
253.00319	1.4
255.02982	5.2
256.03537	0.7
271.02469	3.4
273.04062	2.2
283.02521	1.5
283.15613	0.5
289.07178	1.0
300.02808	5.5
301.03555	100.0
302.03851	6.1
403.12732	1.1
403.19733	1.4
416.60547	0.5
475.08722	4.3
477.19266	0.8
555.04596	1.7
555.21051	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	555.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.4
69.03461	0.8
71.01375	1.8
71.26682	0.7
89.02484	0.9
95.01391	0.9
96.96023	6.5
107.01398	5.3
111.00890	2.5
113.02415	1.0
121.02973	1.0
123.00916	6.3
124.01706	2.2
125.02464	20.0
126.02813	1.0
127.00382	1.6
136.98814	2.4
137.02446	1.4
138.03220	1.2
139.00374	5.1
139.04071	1.5
140.01178	2.8
150.03281	1.0
151.00423	2.0
152.15802	0.7
159.89278	0.8
165.01936	4.1
166.99905	1.0
168.00644	10.9
169.01437	30.9
170.01743	1.0
180.04353	1.3
182.02205	1.3
183.03004	1.5
193.01457	5.1
194.02168	4.6
197.04565	1.8
200.28024	0.7
208.03804	4.6
209.04590	4.3
211.02499	50.3
212.02884	3.0
223.06230	3.2
225.04124	1.9
241.03494	1.1
241.74883	0.8
271.04611	100.0
272.04977	4.9
285.06226	1.7
286.55600	0.8
331.06693	13.3
389.10913	1.3
393.08105	1.0
555.13599	20.1
556.13812	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	555.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15900	0.9
56.51861	0.9
60.63448	0.8
63.79090	0.7
71.01389	1.5
71.27209	1.6
79.95744	2.3
85.11313	0.8
85.84394	0.8
89.02452	1.5
93.03480	1.4
95.01396	3.8
96.96021	83.7
98.41463	1.0
107.01433	1.6
109.02941	2.0
116.92853	1.6
119.03516	1.0
121.02972	12.3
122.03772	5.7
123.00899	17.9
123.04566	2.0
123.33045	0.9
125.02474	8.5
133.02945	1.3
135.04587	3.1
137.02452	5.2
137.99651	1.0
138.03246	10.7
139.04028	1.2
149.02452	19.4
150.03241	53.0
151.04008	4.6
153.02014	1.0
153.05612	10.4
155.03639	1.1
164.04802	3.9
165.01962	1.9
165.05582	60.5
166.99873	19.5
167.03523	1.1
169.01463	12.1
180.04416	4.3
181.01566	2.2
181.05043	3.5
182.02228	47.8
183.02620	1.2
195.06642	39.4
196.07005	1.4
197.04565	100.0
198.04909	4.1
239.05634	12.4
240.57428	0.9
254.05891	1.3
286.08578	2.9
301.00110	1.6
301.10867	2.1
311.07965	1.5
322.43939	1.0
332.99631	1.0
345.09760	5.1
352.59528	0.9
382.89252	0.9
393.11969	44.7
394.12335	2.4
449.10956	2.6
547.71674	1.1
555.09784	1.6
555.17303	15.9
555.25897	1.7
556.17920	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	555.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
67.01894	0.3
68.99514	1.1
68.99921	0.4
69.03452	1.5
79.01884	0.5
81.03468	0.8
83.01398	0.5
95.01400	0.3
97.02956	1.3
97.03486	0.2
98.22581	0.2
107.01399	0.5
109.02974	0.3
118.74146	0.2
123.00919	0.4
123.04536	0.3
124.01688	0.5
125.02457	59.5
125.35875	0.2
126.02809	1.3
137.09851	0.2
151.00414	0.9
151.04028	0.9
153.01984	0.8
161.09761	0.2
163.07726	0.2
168.00708	0.3
169.01437	100.0
170.01791	2.3
178.99883	0.2
181.08723	0.3
197.11841	0.4
207.06555	0.2
223.09763	0.8
241.10823	0.3
251.09244	0.4
265.10889	0.2
283.02319	0.2
283.11911	0.3
301.03622	2.8
303.05161	1.0
325.13095	0.2
331.06879	0.5
385.15118	3.0
386.15231	0.2
397.26538	0.2
495.15387	0.3
516.82373	0.2
555.17224	10.0
556.17664	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	555.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
61.52762	0.3
69.03457	1.4
69.04177	0.8
69.04579	3.7
71.01379	0.4
73.02946	0.6
81.03466	0.8
82.95406	2.2
83.01385	1.0
95.01391	0.8
96.80923	0.4
96.96019	0.4
97.02966	1.4
98.21804	0.8
101.02482	0.4
111.00880	0.6
123.00908	2.3
124.01679	2.8
125.02458	100.0
126.02805	1.9
137.02431	0.5
137.09741	1.5
139.00449	0.4
147.26532	0.4
151.00377	0.8
161.09723	0.7
163.07701	0.9
167.03581	1.1
168.00674	3.6
169.01437	78.4
170.01738	2.2
179.10773	1.3
181.08710	1.5
197.11824	1.9
199.95886	0.4
223.09795	1.5
241.10852	1.6
265.10706	0.6
283.11862	0.6
287.07855	3.3
331.06723	6.3
385.15091	2.2
406.89862	0.4
449.18320	1.1
451.15945	2.5
493.17188	2.1
495.15265	1.0
511.18256	34.9
512.18542	4.0
537.16388	0.9
555.17181	21.1
556.17334	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	555.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46525	2.4
55.01884	3.0
57.03452	3.7
59.01385	100.0
61.98825	6.0
62.37055	2.3
69.03898	5.3
69.04297	22.6
71.01390	47.0
73.02938	11.0
74.02475	2.3
83.01378	6.3
85.02965	18.8
89.02456	6.8
94.98106	4.2
95.01379	5.6
98.21679	4.8
98.22340	10.2
99.00897	3.4
101.02461	28.6
113.02470	16.7
118.55613	2.4
119.03529	2.8
125.02458	7.5
127.05037	2.2
128.03531	4.6
129.02028	2.6
143.03519	4.0
143.04617	3.6
156.56529	2.3
159.03018	4.6
161.02481	5.3
161.04576	42.3
168.00629	7.2
169.01411	4.2
176.84090	2.6
181.68689	2.0
209.11844	10.1
272.08841	3.7
275.01892	2.8
300.99753	3.8
354.49741	2.7
392.15723	3.5
495.29791	61.2
496.30402	3.7
517.30072	3.4
519.32013	7.8
534.35217	2.4
555.29224	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	556.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58927	1.5
58.46671	1.5
59.01371	2.1
61.98839	14.7
67.09451	1.6
68.59571	1.5
69.03455	1.6
69.78387	6.7
71.01381	5.4
96.88781	1.4
101.02422	2.4
107.01403	6.8
113.02454	1.8
121.64864	1.5
123.00914	7.9
124.01642	3.6
125.02461	62.4
126.02790	6.7
136.01704	1.9
139.00377	3.7
150.03281	2.9
151.00426	9.0
151.03998	3.7
153.01920	2.4
161.02403	2.0
164.04811	33.8
165.05521	6.1
168.00690	2.9
169.01443	86.4
170.01808	6.2
179.07138	20.2
211.02431	2.5
241.03658	2.5
313.05667	32.7
318.80719	1.4
331.12042	1.5
363.28860	1.5
493.13568	100.0
494.13809	10.1
512.18652	8.8
556.17407	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	556.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
61.98837	4.1
66.93369	3.5
71.01382	3.7
76.31797	4.0
98.21735	9.0
106.25206	3.9
116.36174	3.9
155.79953	3.7
235.08237	4.1
253.09271	19.0
259.00809	4.5
277.21765	100.0
278.22107	6.8
370.85339	4.4
466.42804	4.3
553.65729	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	556.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.9
59.11965	1.4
68.97034	12.1
71.01395	3.4
78.95904	5.6
87.83730	1.3
89.02437	2.7
101.02471	3.4
113.02473	1.7
119.03555	1.7
119.39848	1.5
120.37155	1.4
133.05074	1.5
154.44493	1.4
161.04597	1.4
165.05176	1.4
168.89656	1.5
211.75142	1.5
235.08188	1.6
253.09302	18.7
277.21744	100.0
278.22113	7.4
279.23315	53.6
280.23685	6.4
281.23953	2.0
504.31076	16.2
505.31473	2.5
506.32721	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	557.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.0
61.98782	1.7
71.28008	1.5
72.03109	1.3
73.69905	1.4
80.91672	6.3
83.01386	1.7
102.07844	1.5
106.92303	1.6
107.01393	4.1
109.02911	2.7
119.97559	1.5
120.93966	1.4
121.02949	4.6
123.00899	3.7
124.01668	1.5
125.02464	8.7
137.02473	1.6
145.02924	1.8
149.02516	1.8
151.00368	16.6
163.00386	5.5
165.01990	1.6
165.80365	1.4
169.01422	7.9
178.99854	6.6
179.03392	1.5
193.23048	1.6
226.02737	2.5
227.03523	3.8
229.05032	2.6
243.03018	7.3
245.04422	1.8
247.36377	1.6
254.02180	1.6
255.03040	27.9
271.02505	53.8
272.02927	4.2
273.04254	2.4
283.02335	1.7
289.07263	1.9
299.02124	2.4
300.02783	92.4
301.03534	66.6
302.03671	4.7
311.00510	6.7
323.01672	2.4
338.99991	1.9
341.01541	7.2
353.01538	4.2
354.95520	3.6
381.01004	1.6
382.01819	4.0
383.02664	26.7
384.03024	3.1
405.38110	2.0
433.07785	4.2
475.08853	100.0
475.48456	1.6
476.09366	10.8
515.06689	5.0
557.07141	2.0
558.01178	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	557.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10441	1.2
57.23288	1.4
58.45562	1.7
59.01386	7.2
60.13123	1.4
61.98853	7.9
65.00330	2.7
71.01385	3.7
79.47388	1.4
80.91701	2.5
83.01391	4.0
93.32740	1.7
95.55831	1.6
95.64821	1.4
96.96037	1.7
98.21799	3.6
101.02509	1.8
107.01406	5.4
108.02129	1.7
109.03006	3.2
121.02983	4.8
123.00932	2.9
125.02468	20.0
134.30165	1.7
135.34485	1.6
137.02434	3.2
145.02914	1.7
148.01605	2.6
151.00404	17.5
151.04070	2.2
159.04501	1.6
163.00404	2.8
168.00661	1.8
169.01457	16.8
178.99876	7.5
183.04639	1.7
187.04025	2.9
227.03488	3.0
241.25102	1.7
243.03061	7.9
245.08224	2.0
254.02255	2.3
255.02992	25.2
256.03531	1.9
271.02515	50.9
271.05469	2.0
272.02939	5.4
289.07236	6.9
299.02228	2.3
300.02789	100.0
301.03522	40.2
302.03796	7.4
303.04141	8.6
309.52118	1.5
311.00540	2.2
341.01666	6.6
353.01755	2.5
354.95169	2.0
382.01843	3.6
383.02588	19.9
475.08832	89.3
476.09329	8.3
477.09143	1.6
481.13715	2.4
493.14490	2.2
515.07007	2.4
558.01154	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	557.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98832	1.3
71.27422	0.9
94.02991	0.7
107.01376	0.8
107.05037	1.1
108.04579	3.1
109.02977	1.2
116.76280	0.5
122.06143	1.2
124.04048	1.3
125.02460	22.4
128.03546	0.7
131.03775	0.8
132.04620	1.1
135.04555	4.8
136.04039	4.4
144.04564	0.8
146.06107	3.2
148.04080	1.5
150.05615	3.8
151.00377	4.9
160.04085	4.6
161.02441	0.8
162.02037	3.1
163.02759	16.5
166.36530	0.7
168.99988	1.5
169.01439	28.2
170.01845	0.8
175.02754	0.7
176.03519	6.0
177.04297	1.7
178.05113	100.0
179.05478	4.1
190.05095	1.5
204.02917	1.4
209.00801	0.7
222.04095	66.5
223.04388	2.2
234.81686	0.6
243.12506	1.0
258.16806	0.6
269.04581	0.9
271.04605	0.6
274.66083	0.6
334.09314	0.8
366.08331	1.1
384.09613	0.7
513.19702	2.6
539.16980	0.8
557.12463	5.7
557.19073	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	557.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53733	0.7
59.01389	3.3
61.72892	0.7
69.03455	1.4
69.21458	0.7
71.01388	1.1
73.02943	1.9
81.03480	1.0
83.01372	1.4
95.01398	1.1
97.02976	2.0
98.21823	2.0
99.68073	0.7
116.72815	0.7
123.00891	2.0
124.01681	2.7
125.02464	100.0
126.02808	3.3
131.50410	0.7
136.04013	1.0
139.11304	4.3
143.28853	0.7
145.53651	0.7
147.06412	1.0
160.03970	0.9
163.02773	2.6
168.00647	4.3
169.01447	77.5
170.01782	2.7
176.03554	1.3
178.05115	19.5
179.05487	1.5
181.12373	1.7
183.10252	5.6
222.04094	13.4
223.04466	1.2
225.11398	3.1
243.12393	11.0
244.12781	0.9
285.13522	0.9
313.05670	1.9
327.14343	1.2
387.16672	2.7
453.17444	3.7
495.18759	2.0
513.19788	28.8
514.20313	2.8
539.17853	1.5
557.11224	1.2
557.19025	19.5
558.19391	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	557.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01094	1.3
59.01383	18.5
67.01903	1.2
69.03466	2.1
69.07164	0.7
69.07479	4.5
69.07893	2.6
71.01382	2.0
73.02931	1.9
78.95901	0.8
79.01875	0.8
80.77741	0.8
83.01391	1.4
95.01416	1.2
96.96027	3.3
97.02968	1.5
101.02446	1.9
107.01395	9.7
123.00888	5.3
124.01676	1.8
125.02459	78.3
126.02773	2.3
126.08237	0.7
139.00414	1.2
139.11293	12.9
150.38251	0.9
151.00351	2.1
165.01878	0.8
168.00650	2.7
169.01440	100.0
169.12399	0.8
170.01781	4.2
181.12363	7.8
183.10278	16.5
199.13454	2.4
211.02483	1.9
214.18947	0.8
225.11316	9.1
241.00267	1.9
243.12375	46.8
244.12749	1.8
257.14154	0.9
285.13486	16.5
287.07813	1.5
313.05685	1.3
315.14432	4.8
329.08786	1.6
331.06989	1.4
345.15543	22.8
346.16086	1.1
387.16794	2.5
395.13657	1.5
405.17664	39.1
406.17908	3.2
497.16586	1.8
513.19806	7.1
539.17737	1.8
557.18726	43.6
558.19189	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	557.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.7
57.98991	1.1
59.01383	24.7
61.98837	1.8
66.89826	1.0
68.64777	1.0
68.88127	1.0
71.27728	1.5
73.25043	0.9
77.42318	1.1
78.95970	1.1
81.03474	1.8
83.01402	2.9
93.03448	1.2
95.05028	3.0
96.96019	5.9
99.04538	1.7
105.03487	5.3
109.02971	2.4
121.02948	1.4
123.00869	1.7
124.01663	1.7
124.34137	1.1
125.02460	100.0
126.02814	1.3
133.02972	1.3
137.02473	10.8
139.04031	2.9
149.02441	3.5
161.02461	38.8
162.02817	2.0
163.11221	1.1
165.01926	3.1
165.12863	4.8
167.03474	6.9
168.03996	1.2
169.01434	2.4
173.06067	1.2
177.05582	4.0
179.03542	2.2
183.04555	1.7
191.06871	1.1
197.06111	1.3
199.04042	1.3
201.05643	3.0
207.13890	6.7
209.11766	6.4
213.05670	1.2
217.04982	1.4
219.06638	3.1
225.05536	2.3
225.14943	3.2
227.03510	4.0
229.01422	3.8
236.16136	1.3
251.12985	1.2
261.07721	1.2
269.04575	18.5
269.13965	93.0
270.04883	2.0
270.14371	6.9
273.81381	1.0
287.05673	9.2
288.06061	1.4
305.06702	18.9
382.89221	1.4
419.16959	3.0
455.13058	1.2
495.20255	1.6
557.26965	1.6
580.93951	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	557.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17981	3.8
59.01384	26.6
61.98833	12.7
63.92059	3.2
71.27248	3.9
85.61331	4.4
125.06102	100.0
125.87395	4.0
144.87335	4.5
160.84196	6.7
161.03746	50.2
162.83896	18.4
217.01425	6.1
241.53049	3.8
272.08966	3.9
273.00311	4.9
307.89508	3.6
326.50894	4.4
335.22171	19.7
396.61462	3.4
416.20319	3.8
422.23303	3.8
522.06958	6.2
557.13037	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	557.305
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27049	6.0
70.27387	2.5
73.36662	2.2
78.95914	3.4
87.55852	2.1
88.14834	2.2
88.98800	3.4
96.96027	6.2
120.01215	2.6
131.08273	47.1
136.93988	3.8
139.04022	4.8
156.07858	2.5
173.10455	100.0
209.08136	71.8
339.13062	2.2
345.08194	5.6
365.07700	2.7
383.03912	3.9
497.12830	2.3
555.87354	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	558.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.7
61.98837	100.0
62.46177	0.6
67.07370	0.5
69.03062	3.3
69.03490	1.8
75.54742	0.5
91.75731	0.5
98.21820	1.2
145.03003	2.1
152.79124	0.6
335.22452	1.4
336.22461	2.7
355.52161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73245	1.0
61.98837	100.0
65.29984	1.1
71.26653	1.3
71.27026	1.0
71.98016	1.0
72.38711	1.0
73.54741	1.0
78.33254	1.1
82.90606	1.0
87.86001	1.0
125.02468	1.4
169.01460	1.7
236.00549	1.2
245.39078	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	558.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03511	0.8
57.25370	0.6
61.98837	100.0
69.03327	4.3
69.03754	3.1
98.49303	0.8
108.02187	1.4
116.78460	0.8
117.03482	2.9
119.05010	0.8
123.04602	1.2
125.02448	1.0
145.02960	8.6
169.01445	1.3
349.29138	0.7
397.61865	0.9
559.15326	1.4
559.27484	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	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
62.18030	1.3
69.46474	1.2
71.25752	2.1
78.95916	11.5
83.97797	1.5
90.52090	1.5
135.53981	1.6
140.01208	2.4
196.03806	3.8
214.04906	2.0
259.71799	1.4
276.90628	1.6
279.23322	100.0
280.23553	6.7
437.32687	1.5
476.27859	20.6
477.28076	3.1
558.26788	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	558.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29948	2.4
61.98830	8.2
62.37687	2.6
63.46502	2.5
84.38454	2.3
98.21738	7.6
138.40163	2.6
253.09291	14.1
279.23300	100.0
280.23669	5.9
281.24890	19.3
285.88382	2.8
416.21899	2.9
506.32367	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	559.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14651	0.3
60.66665	0.3
69.69679	0.7
69.70079	1.0
72.86848	0.3
80.80585	0.3
85.68746	0.4
96.96021	0.8
99.92594	11.2
100.92635	0.5
116.92873	100.0
117.92883	4.4
125.02462	1.5
126.41452	0.3
169.01431	2.2
170.09882	0.3
177.26173	0.4
198.35483	0.4
243.51671	0.4
289.07141	0.9
295.34680	0.4
298.54904	0.4
322.75101	0.4
359.05057	0.3
380.31271	0.3
406.95810	0.4
441.08444	0.5
441.16714	0.4
457.34100	0.4
476.99258	0.4
504.98846	3.7
505.99149	0.7
559.12469	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	559.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66866	0.3
69.43233	2.3
79.95746	3.1
85.02974	0.6
89.48614	0.3
96.96023	100.0
113.02473	0.7
116.05200	0.4
148.90392	0.3
175.02477	0.3
229.05141	0.8
285.04095	6.6
286.04398	0.7
461.07074	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	559.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
66.95911	3.1
67.76519	0.8
71.26886	1.0
82.95424	100.0
125.02474	3.4
151.00354	1.5
165.38330	0.7
169.01433	3.4
255.02982	1.3
271.02576	3.0
273.03796	0.9
300.02768	5.3
301.03494	3.8
302.03522	1.0
303.04044	0.9
334.69885	0.7
385.02795	1.7
430.81689	0.9
475.08899	5.3
477.09387	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	559.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
60.99314	18.7
65.48243	1.5
69.07127	5.7
69.07546	9.3
71.01369	2.0
73.30452	1.6
88.98815	84.2
96.96021	1.9
107.01421	4.6
109.02956	3.3
111.00862	2.4
123.00895	4.3
125.02468	34.0
137.02504	1.7
139.00388	9.1
139.03937	1.8
140.01175	27.5
145.82317	1.8
146.04785	1.5
151.00333	2.0
151.04044	1.8
153.01961	3.2
154.02802	2.7
155.03522	44.9
161.02505	4.3
168.00679	3.9
169.01463	30.2
169.06625	1.6
175.03972	2.9
177.01959	3.1
187.03957	2.0
199.04054	4.2
211.02312	1.9
211.04102	4.2
213.05539	2.2
227.03534	4.5
228.04431	2.1
243.03081	12.6
255.02982	20.0
256.03745	8.7
269.04669	4.1
285.04126	5.7
289.07330	2.3
301.00107	3.0
303.07080	2.2
313.05920	9.8
317.08713	4.0
389.06735	4.1
407.07773	50.2
408.08084	3.1
469.09937	100.0
470.10303	5.1
508.76675	1.8
559.12677	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	559.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86187	0.9
55.57436	0.8
56.46457	0.9
62.87601	1.0
70.41990	2.2
70.42392	1.7
76.41677	0.9
80.91690	6.4
86.13509	0.9
102.12575	0.9
119.72034	0.8
125.02461	2.2
151.00369	2.2
167.82666	1.0
169.01399	1.5
199.04131	1.0
227.03609	1.6
243.03076	6.4
244.03700	0.9
255.02991	16.5
271.02490	35.1
272.03107	2.8
299.01993	9.8
300.02774	100.0
301.03217	6.0
309.02383	1.2
311.00381	5.4
315.05139	79.0
316.05377	4.8
322.00931	3.7
337.03342	4.3
340.00674	2.9
353.01541	3.9
355.03326	2.0
382.01797	8.7
397.04214	10.7
398.04694	1.6
406.71924	1.1
462.08044	1.2
477.10431	69.0
478.10910	7.8
499.07532	4.2
527.50220	1.2
559.09564	10.7
560.09839	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	559.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98837	7.6
62.65825	1.0
67.01900	1.2
79.01917	1.6
87.35923	1.1
94.67112	1.1
95.01391	6.7
96.96020	3.6
96.99925	1.1
97.02945	1.5
101.80067	1.1
107.01394	2.7
108.02171	1.4
109.02941	1.3
111.00885	2.8
117.03463	1.4
119.05031	1.8
122.03728	3.5
123.00896	24.2
123.04544	2.3
123.33646	1.3
124.01694	1.7
125.02458	21.0
135.04475	2.2
137.02449	2.6
139.00404	9.3
139.04025	2.9
140.01141	2.7
141.01970	3.0
145.02957	7.9
149.02454	6.8
150.03244	19.2
151.03987	2.8
153.01967	1.2
161.06097	1.3
163.04025	4.3
164.04791	2.0
165.05583	16.4
166.99875	11.5
168.00674	9.4
169.01437	28.2
170.01703	1.5
179.07140	1.7
180.04340	1.8
181.01396	1.3
181.05057	1.5
183.02979	16.0
191.62697	1.2
194.99446	1.9
195.02945	2.8
195.06592	2.1
195.10635	1.1
209.02979	1.2
293.76422	1.2
329.06607	2.4
344.09061	2.0
347.07730	16.7
348.08456	4.8
357.57129	1.2
361.09296	12.3
362.10080	100.0
363.10760	21.3
364.11102	2.0
377.12259	3.1
417.11902	4.0
435.13113	4.2
486.15311	2.2
511.16507	2.7
523.16010	2.2
541.17133	10.4
559.18262	67.1
560.18494	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	559.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.5
59.01384	50.1
66.01328	1.0
81.03459	3.6
83.01396	3.5
87.51588	1.1
91.33192	1.1
93.03441	1.4
94.91256	1.1
95.05051	2.9
96.06542	1.3
97.02959	3.9
98.21807	2.9
98.95625	1.7
100.82634	1.1
102.77675	1.2
109.02957	17.9
111.00882	2.6
113.06105	1.4
118.61365	1.1
121.02949	2.7
123.04515	10.2
125.02459	55.1
126.02804	1.6
135.04494	1.4
137.02458	17.4
139.04012	2.8
145.02954	13.6
146.03735	2.0
149.02441	5.7
150.97157	1.1
151.04041	6.5
159.04510	8.7
160.05258	1.6
161.02419	1.9
161.06088	8.8
163.04063	1.3
164.01201	3.4
165.01921	2.8
165.12843	1.8
169.01428	1.1
172.78053	1.2
175.04050	3.3
175.07649	1.4
179.03505	5.0
181.05099	4.7
183.04520	2.5
185.06131	5.6
187.04002	7.1
188.04756	2.8
193.05084	5.6
196.21643	1.3
199.07674	1.4
201.05583	5.3
202.06432	1.7
203.07153	13.4
205.05141	5.9
207.13885	2.0
209.06259	1.8
209.11830	3.7
211.04068	1.4
221.08255	2.3
225.05580	1.5
225.14970	7.0
227.07155	6.1
227.12891	40.1
228.13194	2.3
229.05043	3.2
230.02232	2.8
230.05933	1.8
245.08186	22.8
247.06108	1.8
253.05067	15.7
269.08151	2.2
269.13797	6.2
271.06128	41.3
272.06549	2.1
287.09348	10.4
287.15012	100.0
288.15414	5.2
289.07193	75.9
290.07458	4.7
331.07941	3.0
391.17529	1.9
409.18466	4.4
421.18622	4.8
445.81891	1.2
479.20822	1.3
497.21918	3.4
510.03000	1.3
515.23120	5.8
541.21265	1.4
559.21765	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45872	3.3
53.94081	2.8
61.98828	3.2
71.27338	6.0
73.27460	3.8
78.95927	4.3
91.91155	3.6
242.08130	4.1
277.21771	100.0
278.22025	4.4
446.17474	3.8
502.29404	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08216	9.8
54.68480	9.9
58.37500	10.0
60.76095	8.8
61.98828	9.3
71.27363	23.3
71.27720	13.4
77.15879	8.6
78.95902	16.9
80.35648	9.2
189.88191	10.2
196.72458	9.5
224.07042	11.3
277.21753	100.0
400.56229	10.8
461.12878	10.3
502.29385	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30856	0.3
57.26362	0.3
59.01384	0.8
69.12643	3.2
76.60117	0.3
89.87056	0.3
91.45056	0.3
94.02989	0.7
96.95981	0.4
107.05076	0.7
108.04572	3.5
122.06113	1.9
124.04047	0.8
125.02448	0.4
131.20348	0.4
132.02205	0.7
132.04539	1.4
134.03758	1.0
135.04543	4.3
136.04054	4.0
148.04047	1.3
150.05635	4.4
160.01692	2.1
160.04036	5.9
161.02386	0.8
162.01993	3.1
163.02774	17.1
169.01476	0.6
174.05397	0.4
175.02686	0.5
175.03995	2.2
176.03551	5.7
177.04306	1.1
178.05116	100.0
179.05466	3.2
204.03055	2.2
222.04099	81.6
223.04420	2.6
233.37625	0.4
236.05534	0.8
323.07590	0.6
337.09323	2.2
366.08356	0.5
384.09439	2.4
396.48022	0.3
444.61618	0.4
457.02908	0.4
545.03778	0.3
560.06525	0.6
560.14233	7.3
561.14142	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	560.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
70.05729	0.6
70.06115	0.9
94.03004	1.1
98.21835	0.5
99.08501	0.3
100.28808	0.3
107.05043	0.8
108.04555	3.0
120.04543	0.4
122.06100	1.5
124.04076	1.5
132.02164	0.7
132.04562	1.1
134.03745	1.2
135.04536	4.8
136.04044	5.1
136.05014	0.4
145.21756	0.3
148.04059	0.9
150.05603	3.8
160.01733	2.4
160.04047	5.6
161.02438	0.3
162.02002	3.5
163.02768	16.5
169.01451	0.5
175.02707	0.5
175.04010	2.2
176.03560	5.6
177.04352	1.4
178.05107	100.0
179.05478	2.7
193.05072	0.4
204.03006	1.8
222.04088	79.5
223.04434	3.4
228.01393	0.3
323.07822	0.3
337.09326	2.4
354.09796	0.4
384.09430	2.3
393.53751	0.3
490.89362	0.3
560.14014	6.1
561.14258	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	560.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34268	0.4
54.58472	0.4
59.01395	0.9
61.98836	72.1
69.03463	1.1
69.11755	4.0
74.75000	0.4
81.03458	0.6
82.95418	1.8
84.95127	1.0
89.02455	0.5
95.01424	0.5
97.02973	1.0
124.01680	0.6
125.02461	49.0
126.02808	1.3
169.01443	100.0
170.01779	2.8
217.01376	0.5
229.01373	0.4
300.02737	1.1
301.03290	0.5
354.09399	0.4
497.16721	15.7
498.17062	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	561.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27182	0.4
79.95742	3.7
96.96021	100.0
117.40874	0.3
125.02452	0.4
151.00424	0.3
158.97986	0.3
196.47517	0.3
232.16515	0.2
271.02539	0.7
300.02750	0.8
316.02188	0.6
317.02975	0.3
375.60712	0.2
399.00317	0.8
414.99390	0.3
463.08731	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	561.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03948	1.3
53.83649	1.4
59.01389	4.9
61.98835	2.8
65.00310	1.7
68.99567	5.5
69.00497	16.1
69.58230	1.3
71.01385	3.0
82.95422	4.8
84.95137	1.7
92.64565	1.5
94.04445	1.5
96.59865	1.5
101.02483	1.6
106.76303	1.4
107.01390	1.6
108.02177	2.5
109.02968	3.3
112.98563	6.5
117.09841	1.3
125.02444	4.5
138.59140	1.5
142.40273	1.5
151.00392	6.2
163.00403	2.3
169.01466	5.4
178.99843	3.8
193.05194	2.6
195.05476	1.5
199.03998	1.9
216.36084	1.5
227.03554	4.3
227.64597	1.4
243.03012	9.1
250.98587	1.5
254.02222	2.7
255.03003	26.8
262.41833	1.7
271.02490	60.4
272.02969	5.9
299.02170	1.8
299.99460	3.9
300.02771	100.0
301.03436	28.2
315.01328	3.2
340.02628	1.5
402.55130	1.6
447.09195	6.0
475.09119	9.3
517.09912	55.2
518.10016	6.2
561.29309	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	561.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.4
60.99304	7.0
69.23814	14.3
70.61859	1.6
88.98811	45.0
96.96027	39.0
98.95608	30.1
98.96432	5.0
99.92592	27.7
100.93359	3.1
115.92084	31.5
116.92095	1.8
116.92871	35.1
125.02457	100.0
126.02835	1.9
133.02939	2.2
137.02448	3.7
142.94466	2.7
149.02472	1.6
151.04019	5.6
158.03670	2.0
161.02470	19.1
164.01207	6.3
165.01959	6.1
169.01439	26.6
170.93878	1.8
198.93347	2.0
201.05843	1.8
227.03572	2.2
255.02994	4.4
256.93854	2.8
257.94772	2.5
258.95361	1.9
267.16406	2.0
269.04602	6.6
274.95038	6.9
284.03207	4.4
285.04050	4.5
287.05646	35.8
288.05960	1.9
301.07184	2.1
303.05157	6.8
313.03702	3.5
319.08234	9.6
366.95456	4.8
384.96530	9.9
385.96826	2.5
439.06668	3.8
469.05795	1.8
471.09250	18.7
472.09985	2.2
560.99829	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	561.1403
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
57.03442	7.5
64.99541	1.0
68.75599	1.0
69.03465	1.3
69.15210	8.5
70.01296	1.0
74.77811	0.9
79.86063	1.0
80.02681	0.9
81.03472	3.0
83.01408	5.0
87.01626	0.9
93.03478	3.3
95.01418	1.8
95.05044	2.2
96.96029	2.4
97.02952	6.6
98.22488	1.8
107.01400	1.2
109.02964	24.0
109.33381	0.9
121.02980	4.4
122.03810	1.9
123.04543	16.4
125.02466	48.0
126.02798	1.6
133.02989	3.2
134.03818	1.2
135.04529	3.5
136.67830	1.1
137.02475	17.0
139.04010	5.1
145.02954	2.5
149.02492	6.2
150.03242	1.7
151.04031	9.3
159.04562	4.3
160.05194	1.4
161.02481	3.4
161.06085	5.2
162.03217	2.1
163.00430	2.7
163.04073	2.9
164.01170	17.2
165.01903	7.5
166.02634	1.1
167.03510	1.6
169.01451	6.6
173.06046	1.2
174.03255	1.2
175.04007	4.7
175.07677	1.4
177.01884	5.9
179.03549	5.5
185.06068	1.8
187.04085	5.8
188.04836	3.9
189.05472	1.3
199.07626	1.3
201.05618	1.1
202.06419	1.7
203.03502	2.1
203.07179	12.5
205.01367	5.3
205.05075	8.4
221.08209	2.9
227.07176	2.4
229.05028	2.0
231.02798	1.7
243.03058	1.3
245.08215	16.6
247.02510	2.1
247.06126	2.3
253.05084	1.9
255.03043	3.7
257.04657	1.5
271.06323	9.7
273.04559	0.9
273.07678	6.9
281.04669	1.4
283.06207	1.8
289.07205	100.0
290.07541	4.7
328.05902	1.2
329.06653	3.8
339.08801	1.3
364.07968	1.4
381.09900	1.2
407.07678	15.9
408.07642	1.3
409.08328	1.5
425.08670	1.8
427.77402	0.9
435.10858	10.7
513.13672	1.1
543.14111	2.1
561.14368	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	561.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	4.7
68.70519	1.5
70.51858	2.0
70.52194	4.0
78.95913	5.0
127.32518	1.5
152.99609	1.6
166.67139	1.7
174.55373	1.7
242.08115	3.2
244.40468	2.0
272.91800	1.9
279.23331	100.0
280.23721	6.4
504.31046	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26886	2.6
53.14120	2.8
53.25286	2.6
61.98833	4.5
68.91201	2.7
70.46497	7.6
78.95911	23.4
87.80378	3.3
89.85280	2.8
128.53696	2.6
131.06494	2.5
141.66142	2.6
152.99553	5.5
174.79482	3.1
177.79372	2.7
224.07016	7.7
279.23312	100.0
280.23608	7.2
504.31036	59.2
505.31210	9.6
572.93530	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	562.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84509	2.7
61.98838	100.0
67.34410	2.6
71.26267	3.4
71.72264	2.3
75.39382	2.6
85.02962	2.6
90.70758	2.4
96.10470	2.6
109.03001	3.0
122.25725	2.5
125.02473	8.0
129.01961	4.2
137.02473	12.8
149.02394	3.7
159.04497	7.0
161.02489	3.3
163.00386	35.5
165.01927	7.3
169.01454	8.8
173.02435	4.3
175.04001	5.3
177.01903	5.9
185.02557	3.6
187.04021	4.5
191.03481	5.5
193.01439	11.1
196.87885	2.6
201.01918	4.0
203.03561	18.6
205.05092	6.8
206.99388	5.7
208.00055	2.9
209.00859	2.9
219.02971	2.9
221.04619	4.8
229.01414	15.0
231.03072	21.1
232.03261	3.6
233.00909	3.0
235.02554	2.6
237.00395	9.1
245.00862	5.8
247.02591	6.9
249.04050	23.9
257.00888	25.0
273.00516	4.0
275.01996	90.4
276.02487	4.6
279.01282	4.7
293.03082	34.1
299.98843	3.7
300.99915	93.0
302.00259	5.9
337.02008	4.0
340.97913	8.7
343.75037	2.7
346.50696	3.3
379.03323	6.1
382.99118	10.8
386.53314	2.8
395.06247	3.5
399.05447	6.3
439.05338	9.9
455.08340	7.7
481.06335	62.8
482.06836	4.5
499.07339	80.8
500.07910	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	562.084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	20.6
62.32428	1.2
65.00328	4.0
68.86769	1.2
81.03453	1.7
82.07241	1.2
82.83770	1.1
83.01398	3.2
90.99570	1.2
93.03470	1.6
95.01383	1.6
97.02976	5.2
98.21794	2.3
103.47852	1.0
107.01397	5.4
109.02953	8.0
121.02987	3.7
123.00929	3.3
123.04554	1.6
125.02457	31.0
134.99721	1.1
137.02448	3.7
137.27942	1.0
145.03058	1.6
149.02444	4.9
151.00392	17.0
151.03999	3.4
161.06081	1.2
163.00406	3.8
165.01941	18.7
166.99907	1.9
167.98958	1.2
168.99982	2.7
169.01433	50.0
170.01761	1.4
177.01933	6.8
183.04501	1.3
186.83334	1.3
187.04002	3.3
189.99031	1.4
193.01463	1.5
201.05597	1.6
205.01465	1.8
205.05026	3.5
212.53455	1.3
227.06998	1.5
229.05107	11.2
231.02994	4.0
234.04132	1.2
247.06076	3.6
271.06174	4.1
273.04047	2.0
297.04068	12.3
315.05103	100.0
316.05396	6.9
333.06253	3.2
347.07690	20.8
366.02225	1.3
467.06131	12.9
468.06735	1.4
499.08978	7.6
563.21136	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	563.068
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96486	5.3
68.96894	16.2
77.28303	1.7
78.71946	1.8
83.01380	2.9
83.62330	2.1
88.98817	7.1
121.02980	3.2
123.00893	13.1
124.01651	8.2
125.02457	29.9
133.78929	2.1
139.04030	13.3
149.02429	4.6
151.00415	9.9
153.01953	31.8
165.01923	3.3
166.02785	6.5
167.03511	100.0
168.03833	2.2
169.01442	54.2
170.06668	1.9
177.01991	4.6
257.46234	2.2
303.05106	2.9
307.07608	1.9
319.04599	84.0
320.04788	2.6
473.07318	18.6
555.54132	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	563.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57298	0.6
59.01362	1.5
61.98816	0.8
62.29829	0.6
65.00276	0.6
69.15437	0.5
69.82493	2.5
71.01405	3.1
73.02931	1.8
79.01889	0.8
83.01370	0.8
85.02950	2.5
87.00840	0.6
95.01380	1.7
101.02436	2.3
107.01407	4.7
111.00910	3.1
113.02467	3.8
123.00900	9.8
124.01700	1.5
125.02457	25.9
126.02819	0.7
127.00389	0.9
136.98808	2.0
139.00406	5.7
140.01184	4.2
141.01950	1.6
149.06067	1.0
151.00395	10.0
151.03993	1.2
153.01965	0.8
154.55658	0.5
154.99863	0.6
161.02373	0.6
166.02731	0.8
167.03477	0.6
168.00687	5.5
169.01439	32.8
179.03481	0.9
186.22456	0.6
205.01602	0.6
211.02452	1.4
249.14993	14.4
249.81239	0.6
250.15329	1.3
253.03470	0.7
271.02368	0.7
271.04880	0.8
300.02750	0.7
313.05688	100.0
314.05984	5.5
563.21387	20.7
564.21893	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	563.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17636	2.3
61.98838	2.6
69.96189	4.8
69.96581	5.2
73.28849	2.2
78.95926	4.2
98.22477	2.9
106.39712	2.4
123.96024	2.3
152.99614	4.2
226.80003	2.6
238.46248	2.4
281.24887	100.0
282.25110	6.7
285.12708	2.7
332.68073	2.6
436.42548	2.6
506.32535	30.4
507.33121	3.5
516.18079	2.5
518.80029	2.6
568.32324	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	563.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	6.9
64.85898	4.1
70.47454	7.8
70.47784	8.3
75.33793	4.0
75.65829	3.7
78.95932	19.7
80.39269	4.1
127.57613	3.9
153.61685	4.3
191.70197	4.2
200.10248	4.5
213.06520	4.4
224.06975	10.8
281.24863	100.0
282.25085	7.1
506.32614	80.2
507.32974	5.0
550.14081	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	564.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45818	2.1
52.68874	1.9
52.72249	1.8
61.98520	4.9
61.98838	100.0
71.01398	2.7
71.26508	3.0
74.97588	1.9
99.88290	2.6
119.23121	2.0
123.00874	2.9
125.02451	16.5
131.34187	2.3
137.02470	6.9
145.02954	6.7
151.00435	3.2
155.03584	3.2
168.00635	3.3
169.01411	25.6
169.37073	2.3
170.01906	2.6
227.03503	9.9
255.03070	12.3
284.03275	15.4
285.03986	6.7
294.25021	2.3
313.05716	5.5
314.05975	3.6
359.18054	2.6
501.10507	24.1
502.10684	5.3
564.21661	11.6
565.22784	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	564.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20381	2.7
58.00602	4.3
59.01385	98.8
63.39980	2.9
67.24012	2.7
68.99918	29.5
71.01388	77.5
72.99354	3.7
77.95734	3.1
85.02955	9.6
87.00896	5.6
89.02454	100.0
95.01410	4.5
98.21709	4.9
101.02462	28.9
113.02461	22.4
116.92889	5.9
119.03518	46.6
123.00932	4.4
125.02447	13.9
131.03523	4.4
143.03482	9.8
149.04521	5.8
161.04521	9.0
168.00668	5.2
169.01454	9.4
179.05617	21.3
224.04871	3.8
235.06180	4.6
255.10124	6.9
266.05829	3.7
271.04861	5.2
283.09753	34.1
295.09717	4.9
298.12143	4.5
310.12262	3.7
311.09293	75.2
311.12643	5.6
312.09595	4.3
325.10898	4.4
326.11606	40.5
341.13989	70.0
342.14185	3.9
512.40997	2.9
564.21710	7.7
565.15533	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96805	9.7
59.01371	19.3
71.01385	12.0
83.14907	9.1
88.98800	42.8
93.03427	10.8
98.21765	15.2
125.02477	43.7
137.02408	10.9
148.05321	21.2
153.01918	12.0
169.01460	26.0
204.40167	8.1
207.06775	9.7
218.02226	16.6
233.04623	16.9
235.42661	10.5
252.67456	10.7
285.04056	11.0
339.98709	17.6
344.12949	11.2
355.01013	19.5
359.14954	14.3
403.10358	28.2
521.20154	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	565.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
60.64254	0.3
61.98838	0.4
69.23386	0.8
69.23808	1.0
71.01369	0.6
73.02967	0.3
85.02937	0.3
90.83959	0.2
93.03471	0.5
95.01410	0.3
99.92598	10.9
100.92628	0.3
108.02197	2.2
109.02359	0.3
109.02986	2.0
116.92876	100.0
117.92889	3.9
123.00899	1.1
124.01685	2.0
125.02457	0.9
137.02457	0.8
139.04044	1.1
140.34409	0.2
151.00359	0.3
152.01172	2.3
153.01949	1.5
169.01442	0.7
227.46204	0.3
237.15054	0.8
245.56230	0.2
300.02765	0.5
342.56332	0.3
429.21082	0.3
547.16217	0.4
550.02112	0.3
564.21802	0.5
565.22968	7.3
566.23065	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	565.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12214	0.5
55.72798	0.4
57.58209	0.5
58.06876	0.5
71.01386	0.6
73.46975	0.5
75.76416	0.5
98.22620	1.0
99.92593	11.2
100.92592	0.6
116.92870	100.0
117.92870	3.9
193.01526	0.5
229.09344	0.6
271.02359	0.5
369.08493	0.5
447.09396	1.2
460.86655	0.5
547.01746	1.3
565.22913	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	565.048
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
58.00803	0.4
62.96403	1.1
70.46432	1.1
78.95908	100.0
88.01004	0.4
96.96968	34.1
101.92611	0.4
110.71729	0.5
111.02012	8.1
113.79366	0.5
120.96970	1.6
138.97997	2.8
150.98033	2.7
158.92540	14.1
174.97897	1.0
176.93617	1.5
192.99065	0.9
195.93918	0.4
211.00117	4.5
223.00076	0.5
241.01189	8.1
272.95709	4.6
280.02313	1.7
305.01999	1.0
320.97888	2.7
323.02859	63.4
324.03183	2.9
384.98495	5.7
402.99597	2.0
456.57840	0.5
565.04785	19.2
566.04706	0.6
567.37567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08924	0.3
62.96412	0.9
69.66121	0.7
69.66505	0.4
75.64464	0.3
78.95911	100.0
85.02978	0.4
86.38328	0.2
87.00907	0.4
96.96970	35.4
111.02016	8.5
114.44425	0.3
120.96983	1.9
138.98030	3.2
139.20444	0.2
150.98041	3.0
158.92546	15.7
162.98097	0.3
164.03552	0.5
174.97975	1.2
176.93681	1.1
192.99117	1.4
211.00124	4.0
223.00232	0.4
241.01225	6.9
259.02377	0.3
272.95734	4.5
280.02292	1.5
305.01801	1.2
320.97778	2.8
323.02878	62.5
324.03119	2.6
384.98480	5.2
390.18884	0.3
402.99295	1.7
565.04749	19.4
566.05359	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	565.084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	18.2
65.00312	1.3
69.27264	1.4
69.97179	1.3
71.38733	1.2
73.44280	1.2
78.38264	1.1
84.18513	1.4
88.85564	1.1
88.98816	100.0
107.01467	1.9
121.03005	2.1
151.00406	7.6
162.81427	1.2
169.01483	3.0
178.99884	3.6
191.00003	1.4
227.03519	1.5
229.66505	1.5
243.03021	4.6
245.04460	1.5
254.02248	1.6
255.02983	10.2
271.02487	22.2
272.03067	2.3
283.02438	1.8
297.97577	2.8
300.02762	43.6
301.00101	1.7
301.03522	35.4
301.06775	2.4
302.04056	1.6
309.01303	1.5
312.99960	2.8
328.02283	2.9
343.04709	5.9
407.14172	1.3
433.07623	2.3
475.08847	58.8
476.09381	4.6
565.22656	4.7
572.64032	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	565.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99317	15.5
69.21600	5.5
69.22031	7.3
81.00718	1.8
88.98814	100.0
98.21743	2.2
108.02152	8.1
123.04539	8.6
125.02436	3.5
143.31165	1.8
151.00363	4.8
158.80606	1.6
159.99091	1.5
169.01375	2.3
177.53726	1.5
178.99889	3.7
194.08258	2.0
195.03009	4.4
223.20750	1.5
243.02959	5.4
254.02342	1.8
255.02982	14.4
271.02518	31.8
300.02771	70.3
301.03467	16.0
322.24692	1.6
447.73691	1.7
475.08859	81.1
476.09116	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	565.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23168	1.0
57.03452	7.5
59.01373	3.0
65.00319	2.5
68.99812	1.4
71.01378	3.2
72.99303	1.2
78.48462	1.0
78.90784	1.1
79.93114	1.1
83.01392	13.5
85.02952	1.9
89.02448	1.3
97.02951	1.4
99.38592	1.0
101.02498	1.5
107.01408	5.7
109.02959	4.3
110.00086	2.0
111.00884	4.0
121.06558	1.2
123.00911	3.7
124.01704	2.3
125.02465	100.0
126.02799	3.7
127.00374	1.5
135.04518	1.1
136.01639	1.3
136.98845	2.5
137.02405	2.0
138.03278	1.3
139.00374	9.7
139.03961	1.5
140.01227	7.0
149.02449	9.5
149.06104	2.6
151.00385	14.9
152.01062	1.1
153.01962	51.0
153.05580	1.6
154.02672	3.3
161.02452	1.6
163.04042	1.4
163.07661	1.3
165.05484	1.8
167.03494	2.0
168.00670	10.6
169.01453	24.9
175.00354	2.1
177.01923	1.5
178.99863	3.6
179.03586	1.4
179.07137	1.4
182.65399	1.1
190.02734	7.0
191.03471	2.6
191.07172	2.6
192.00792	1.3
192.04279	4.8
193.01443	1.7
193.05098	3.6
195.02974	1.3
205.05049	7.3
206.02194	3.3
207.06593	11.1
208.07350	1.2
211.02560	6.9
219.06580	2.7
223.06192	1.6
235.06114	11.9
236.06783	2.6
250.08528	4.4
271.04562	13.5
297.06122	2.2
310.63647	1.4
313.05634	7.8
325.09470	2.5
327.08868	1.2
331.06857	3.0
359.15182	1.1
367.10663	6.8
403.13455	1.1
436.18591	1.1
467.07941	1.4
468.08990	5.1
493.13638	4.4
521.13409	1.2
522.12213	1.2
533.13104	1.7
565.15582	60.7
565.22961	6.7
566.16211	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	565.1927
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.99098	0.4
59.01308	0.5
64.39610	0.4
71.26699	0.5
108.02190	9.7
109.02979	3.0
119.03498	0.5
120.01512	0.5
120.62232	0.4
121.02877	0.9
121.33350	0.5
122.03667	1.1
123.04539	7.3
124.01611	0.5
125.02457	2.4
126.29094	0.4
133.25365	0.4
137.02400	1.1
142.81235	0.4
149.02362	1.0
150.03189	1.1
151.03973	1.0
158.03586	0.6
159.04323	0.4
163.03932	0.5
165.05511	0.9
169.01436	2.2
172.46468	0.4
173.02466	0.6
174.03094	1.1
175.03943	0.9
176.04784	0.9
177.01831	2.1
177.05437	1.3
187.03958	0.6
189.05530	0.6
192.04210	1.9
195.06476	1.3
205.05093	3.8
207.06654	6.7
220.07425	3.7
221.07948	0.6
235.09763	6.4
238.06209	0.5
239.07092	3.1
249.05461	0.7
250.06285	1.1
251.07043	0.7
264.07550	0.6
265.04974	1.4
265.08737	0.7
266.05829	2.7
267.06619	15.5
268.06924	1.1
279.06390	0.8
281.08243	5.2
282.08990	37.3
283.06085	2.2
283.09357	3.0
284.06833	0.7
294.08832	1.4
296.06848	0.8
297.07730	3.1
297.11298	23.6
298.08630	0.8
298.11658	1.8
299.09238	2.9
301.10699	0.6
309.11111	1.0
311.09256	1.2
312.10110	4.9
313.07034	2.0
313.10767	3.1
314.07904	2.8
314.11221	0.7
315.14349	0.5
327.08792	0.8
327.12192	2.8
329.10352	20.1
330.10638	1.7
339.12262	0.6
339.73926	0.5
342.10901	1.0
343.11847	0.6
344.09000	0.7
344.12698	6.4
345.12952	0.6
359.14938	1.8
403.14005	100.0
404.14340	9.4
522.16895	1.3
565.19415	18.0
566.19568	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	565.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76778	0.1
59.01365	0.2
61.98832	0.6
62.82566	0.1
64.75448	0.1
67.01888	0.4
69.03459	1.7
79.01900	0.5
81.03454	0.7
83.01440	0.2
83.24816	0.1
91.99030	0.1
95.01394	0.5
96.95993	0.2
97.02948	1.5
107.01410	0.3
123.00882	0.5
124.01672	0.9
125.02454	61.9
126.02785	1.5
139.00369	0.2
148.73206	0.1
168.00650	0.6
169.01434	100.0
170.01787	2.7
188.20395	0.1
299.12817	0.2
313.05701	0.3
317.13791	0.2
331.06720	1.8
366.09958	0.2
395.17078	0.3
395.21777	0.2
565.20837	1.8
566.20343	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	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63998	0.4
51.43595	0.4
54.71473	0.5
65.75656	0.4
66.44443	0.4
67.01889	0.4
69.03459	2.3
69.05199	1.0
69.05602	3.6
79.01892	1.0
81.03459	1.0
84.32724	0.5
95.01408	1.1
95.68724	0.4
97.02964	1.7
123.00908	1.6
124.01685	4.2
125.02460	98.5
126.02809	1.9
129.73071	0.5
135.83151	0.5
139.00372	0.8
166.99881	0.6
167.03535	0.8
168.00670	6.4
169.01439	100.0
170.01772	3.0
189.12885	0.6
199.85730	0.5
207.13992	0.8
251.12801	2.1
264.19107	0.5
275.13043	0.5
287.07758	14.2
288.08182	0.9
293.65695	0.5
299.12863	1.0
313.05740	1.3
317.14008	1.4
331.06732	24.7
332.07062	1.0
395.17035	0.5
521.20422	11.9
522.20233	0.8
547.18408	1.3
565.19208	19.5
566.19641	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	565.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36821	0.8
56.95005	0.8
57.03436	1.2
59.01382	3.6
65.00326	1.2
69.03450	2.2
69.22568	1.3
69.22961	7.5
71.01384	2.6
72.56467	1.0
78.46165	0.8
79.22604	0.9
80.00127	0.9
80.02676	1.5
83.01363	2.3
83.05035	1.3
84.95135	2.7
89.02419	1.4
90.58288	1.0
95.01390	1.9
95.05062	1.1
95.63656	0.8
96.96012	1.3
97.02979	1.9
97.41985	0.9
99.04541	4.0
101.02460	2.8
105.93148	1.1
107.01401	8.2
107.05001	1.0
107.08660	1.2
109.06622	1.4
110.63091	0.9
111.87991	0.9
113.02460	2.1
121.06614	3.4
123.00895	9.9
125.02458	64.9
126.02806	3.3
127.38243	0.9
137.02461	1.5
139.00398	3.5
139.04106	1.2
140.01131	1.1
143.71767	0.9
151.00389	11.0
163.07649	1.6
168.00658	3.1
169.01439	100.0
170.01782	4.3
171.01909	1.8
189.12851	10.1
193.01407	2.5
207.13927	7.7
211.02531	4.5
231.13876	4.9
233.11867	2.4
251.12891	37.3
252.13243	2.9
271.04660	2.1
275.12921	3.1
287.07675	1.5
293.13821	1.5
313.05716	4.5
323.15033	3.3
331.06790	3.9
353.16071	14.8
403.17569	4.6
413.18185	20.4
414.18570	2.7
480.15930	1.7
503.32581	1.0
521.20978	1.0
547.18353	4.0
565.19086	31.2
566.19666	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	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64817	0.8
57.08488	0.7
59.01376	2.0
59.76202	0.8
71.01385	2.1
71.26981	1.1
81.15679	0.7
85.02467	0.7
85.02956	1.1
88.48656	0.7
88.98792	1.2
89.02477	1.5
91.80795	0.7
100.13223	0.7
101.02468	1.0
108.02182	0.8
109.02968	4.7
113.02431	1.3
121.02974	1.1
122.98417	0.9
123.00924	2.9
123.04568	1.3
124.01674	1.8
125.02449	3.6
133.35109	0.9
134.03757	1.3
137.02466	3.1
137.73033	0.9
138.03258	1.4
145.02916	1.1
146.03793	1.2
147.04536	16.2
147.45509	0.7
148.05280	2.5
149.02477	1.8
150.03217	4.0
151.04066	4.1
153.02002	1.0
153.05634	1.0
158.03711	2.0
159.04549	8.1
160.05305	16.4
161.02477	1.2
161.06113	6.0
162.03241	4.0
162.06854	1.3
163.04004	4.6
164.04823	8.7
166.06386	1.3
168.04277	1.8
169.01408	2.8
173.02452	2.7
173.06050	2.1
175.04022	2.1
175.07651	14.0
176.04797	2.9
177.05586	9.0
178.06317	2.7
180.95522	0.8
191.07158	3.8
193.04980	1.3
193.08672	0.9
206.29910	0.8
255.06700	1.0
267.06567	1.8
282.09225	1.5
283.06122	7.3
297.07733	2.3
298.08484	6.1
299.09378	4.8
300.02917	0.9
312.10028	1.2
313.10831	12.5
314.11472	4.4
327.12247	1.4
328.13034	1.9
329.13861	5.5
359.15012	100.0
360.15335	9.2
367.21292	1.2
384.05975	0.8
385.12979	2.7
403.14075	10.7
404.14377	1.4
413.36676	0.9
453.15872	0.9
494.87415	0.9
565.19312	16.4
566.19537	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	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01896	0.3
65.00317	0.4
65.45375	0.3
67.01891	0.6
69.03461	0.4
69.12593	1.4
69.13017	1.3
70.64042	0.3
71.01385	2.5
72.99328	0.5
73.02971	0.3
79.01903	0.7
81.03493	0.3
83.01409	0.9
85.02967	0.8
85.38196	0.3
88.98843	0.9
93.03519	0.4
95.01374	1.6
96.99384	0.3
97.02957	0.9
98.21720	0.6
101.02394	0.7
107.01402	6.0
109.02959	0.4
111.00891	2.5
112.55410	0.4
113.02480	0.7
122.03754	14.3
123.00898	11.0
124.01699	1.2
125.02459	29.6
126.02814	0.5
127.00394	1.1
135.04611	0.6
135.83144	0.3
136.98828	1.3
137.02463	0.7
139.00386	5.6
140.01173	4.3
141.01973	1.6
149.06104	2.2
151.00380	8.8
151.04034	0.8
153.01974	0.8
154.99794	0.4
165.01936	0.4
166.99928	0.4
168.00670	4.5
169.01440	40.3
170.01788	0.8
177.09264	0.5
179.03458	0.4
181.04982	0.4
191.03659	0.3
192.11664	0.7
193.12411	0.5
211.02597	0.7
221.94437	0.3
223.02547	0.9
233.15581	0.5
235.13345	0.5
236.14243	1.6
241.03587	0.7
250.15753	4.6
251.16530	11.3
252.16913	0.5
253.03581	0.5
297.06223	1.5
311.23773	0.4
313.05701	10.7
314.06021	0.5
475.08923	0.4
527.50195	0.4
565.22949	100.0
566.23297	12.2
566.32141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2296
Annotation	Javanicolide D
Peak:m/z	Relative Intensity
51.45821	0.7
55.01868	1.0
57.03424	0.9
59.01382	3.9
61.98812	1.7
63.78729	0.7
65.00336	1.0
69.03455	0.7
69.83640	0.6
71.01388	5.4
72.99301	1.2
73.02934	2.4
73.88425	0.7
79.01897	0.9
83.01402	2.4
83.97638	0.6
85.02958	5.0
87.00895	0.8
91.98522	0.7
93.03458	1.5
95.01393	3.2
97.02980	0.7
98.21814	2.2
99.00905	1.3
101.02431	5.3
107.01399	4.6
108.02205	0.8
109.02959	1.4
111.00891	2.9
113.02456	2.2
123.00906	16.1
124.01680	1.5
125.01533	1.4
125.02457	24.4
127.00342	0.9
136.98839	1.6
137.02444	3.6
139.00403	6.1
140.01175	4.8
141.01961	2.4
149.02374	0.8
151.00389	14.0
153.01945	10.5
155.03516	1.6
164.49959	0.7
168.00645	3.8
169.01433	28.3
170.01797	0.9
209.04526	0.9
211.02515	3.2
228.90735	0.7
229.25960	0.7
251.03384	0.7
251.16615	1.7
271.04587	2.6
271.09845	2.7
313.05576	1.9
365.65808	1.0
413.21915	4.0
437.14673	1.7
462.42642	0.7
521.23926	11.1
547.21912	7.4
548.22729	1.0
565.22949	100.0
566.23340	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	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64010	0.6
52.00201	0.5
59.85236	0.5
61.98829	3.6
69.03446	2.3
71.01412	0.6
71.28761	1.1
81.03434	0.8
91.34580	0.6
95.01372	0.9
97.02937	1.2
118.23859	0.6
123.00866	2.0
124.01679	3.6
125.02454	76.5
126.02805	2.1
127.82815	0.6
134.97954	0.6
139.00356	0.9
149.48265	0.6
151.00420	1.2
153.97697	0.5
160.42305	0.6
167.03490	1.4
168.00645	7.6
169.01439	100.0
169.33162	0.6
170.01768	3.0
170.12616	0.7
204.54854	0.7
251.16521	1.1
313.05585	1.6
331.06757	2.2
403.17557	1.5
565.22961	50.1
566.23181	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	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37423	1.5
54.18428	1.5
57.81099	2.1
59.01387	5.5
61.98834	10.6
69.20633	3.3
69.21037	10.9
71.01384	4.2
79.01900	1.9
82.95446	3.0
86.10334	1.7
89.02425	1.7
95.01401	2.9
96.96043	3.3
98.21765	3.4
98.22400	5.9
99.45841	1.7
100.70305	1.8
101.02425	2.9
107.01410	15.2
111.00892	3.3
113.02444	2.3
123.00938	11.3
125.02468	43.8
127.28847	1.5
139.00426	3.4
140.01189	3.3
151.00395	7.8
151.71771	1.7
168.00728	5.3
169.01445	57.3
169.02834	3.7
251.16525	13.6
313.05676	13.1
340.41788	1.9
413.21875	3.4
565.22986	100.0
566.23309	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.4
61.98838	100.0
69.26080	11.7
71.01396	12.1
73.02953	2.1
83.01405	3.0
85.02968	2.5
89.02490	3.6
98.21983	3.3
98.22522	2.0
99.00886	2.0
101.02473	6.4
101.87518	1.5
107.01437	2.5
111.00851	3.4
113.02476	2.8
119.03529	1.8
123.00902	2.2
125.02476	9.0
126.25479	1.5
136.98801	2.7
139.00427	3.5
140.01117	4.3
151.00500	1.9
168.00681	6.0
169.01428	9.2
170.01805	2.3
212.35332	1.6
219.23897	1.7
246.05042	1.7
268.39682	1.6
399.23920	11.2
405.19061	4.9
414.15332	1.9
417.25000	10.3
566.15741	5.1
566.23340	25.7
567.24316	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	567.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97040	1.0
60.99310	14.4
61.98832	1.5
69.18900	2.4
69.19312	6.6
71.36962	1.0
79.29348	1.3
82.41391	1.2
85.02955	1.2
88.98814	100.0
98.22024	4.1
107.01426	2.0
123.00877	1.5
125.02460	3.5
137.02504	1.1
140.01187	1.9
151.00383	1.2
155.03465	1.3
169.01390	5.1
243.03003	3.0
250.03532	1.3
255.02966	6.4
271.02542	12.8
299.01987	4.3
300.02777	45.1
301.02979	2.4
315.05130	39.8
315.08783	2.5
316.05466	2.3
362.02960	1.1
366.17917	1.1
370.09302	1.4
415.66434	1.2
477.10431	47.8
478.10999	5.7
484.12485	1.9
508.52469	1.1
531.28088	1.5
549.24103	1.2
566.23230	1.5
567.24493	7.1
584.18280	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	567.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72214	0.5
60.98997	0.6
60.99314	17.9
88.98816	100.0
99.65911	0.5
108.39693	0.5
125.02445	0.7
169.01414	0.6
192.70378	0.6
199.03972	1.1
218.62669	0.5
229.02087	0.6
271.02505	7.6
299.02029	12.9
300.02655	4.0
308.39688	0.5
315.01630	0.9
315.05112	8.0
329.54401	0.5
447.62012	0.5
457.73721	0.5
462.08063	3.2
477.10440	21.1
478.10745	2.0
567.24463	1.4
568.11151	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	567.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22882	2.1
52.43117	1.8
59.01387	2.0
65.90898	1.9
66.37282	1.7
71.27530	3.1
71.34550	1.8
74.60466	1.7
91.27284	1.9
107.01378	2.1
109.02959	2.4
121.02969	3.6
122.03783	3.2
123.00911	3.3
125.02476	11.8
140.01180	5.6
141.33255	2.5
149.02449	6.1
150.03239	16.6
151.00410	12.3
153.01942	3.3
154.33234	2.0
155.03516	3.7
159.04573	2.5
160.05301	2.9
163.00397	3.3
165.05569	11.4
168.00667	2.4
169.01428	8.7
178.99922	3.8
195.06671	8.5
212.17723	2.0
226.02734	7.0
227.03534	6.2
239.80516	1.8
243.03006	22.6
254.02229	5.5
255.02988	16.0
256.03210	2.5
267.06693	3.4
271.02496	86.8
272.02985	6.9
282.09033	4.3
300.02780	100.0
301.03543	29.8
327.12433	6.2
371.11481	2.5
460.15109	2.6
475.17938	9.7
484.19229	2.2
567.11511	83.2
567.24567	20.6
568.11768	10.2
568.25116	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	567.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77491	0.6
59.01378	0.6
61.98833	2.1
65.00336	3.9
66.08647	0.6
67.89902	0.5
71.01400	0.7
83.01402	2.8
93.03476	7.4
98.22147	4.0
98.54717	0.7
107.01414	8.0
108.02260	0.7
109.02979	3.9
111.00896	1.0
113.02486	0.7
119.01420	0.8
121.02946	5.5
125.02459	2.0
135.00876	0.8
137.02481	9.7
140.01164	1.4
148.01717	1.1
149.02448	1.1
151.00391	28.1
152.00754	1.0
155.03500	0.6
161.02428	0.8
163.00392	5.1
164.01160	1.2
164.46968	0.6
168.00603	0.8
169.01436	2.8
175.03993	1.1
178.99884	15.5
183.04463	1.0
185.05983	0.8
187.04016	1.3
190.99829	0.8
192.00539	0.7
199.04047	1.2
201.05556	1.7
211.04018	2.4
215.03461	1.4
226.02629	1.0
226.93471	0.6
227.03571	3.2
229.05054	2.0
239.03401	0.9
243.02960	7.2
245.04533	3.8
254.02261	1.0
255.03006	17.3
256.03381	1.0
271.02505	34.0
272.02930	2.8
273.04050	2.5
283.02365	2.9
284.03299	0.7
299.02011	9.3
300.02780	50.3
301.03552	100.0
302.03870	5.3
362.03021	0.7
429.08139	4.1
447.09323	2.2
493.35553	0.6
530.62415	0.6
567.11444	28.5
567.24323	7.7
567.32098	1.0
568.11469	3.2
568.25012	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	567.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	10.9
57.85374	0.8
59.01394	4.4
61.98838	1.1
65.00331	1.6
68.41486	0.7
68.99821	0.8
69.28299	6.4
83.01392	6.4
85.02976	1.3
93.03443	0.9
97.02939	0.8
98.22577	1.8
107.01408	2.4
108.02198	2.0
109.02953	2.8
119.03498	1.0
125.02465	100.0
126.02805	2.3
133.13234	0.8
135.04565	1.0
139.00410	1.4
140.01146	2.7
149.02489	2.2
151.00423	8.2
152.01149	2.9
153.01952	23.3
153.05573	1.5
155.03473	2.5
168.00682	1.1
169.01428	4.7
178.99881	2.9
179.07141	1.3
197.01012	1.3
201.92770	0.8
225.11308	1.0
227.03542	1.8
243.02873	0.9
255.03014	2.3
271.02551	2.7
285.04086	1.4
291.12448	1.3
300.02753	3.0
301.03305	1.8
369.15582	1.4
390.19153	0.8
495.18893	7.0
567.10822	1.8
567.23859	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	567.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57624	1.4
59.01385	100.0
60.07564	1.5
61.98841	2.5
68.96060	13.4
68.96487	4.0
71.01395	2.5
75.10834	1.3
80.26514	1.5
83.01414	2.3
83.05006	1.5
85.02997	1.6
88.98841	1.8
89.02482	1.7
101.02464	2.0
107.01379	1.6
108.02217	9.7
109.02969	3.1
111.00892	2.6
123.00883	2.9
123.04526	12.5
125.02471	21.4
135.04549	2.4
136.01640	2.6
137.02457	1.9
139.00362	7.4
140.01176	43.7
145.02832	1.6
146.03770	25.8
151.00420	2.2
151.03981	2.4
153.02013	8.9
155.03516	49.8
161.02448	1.8
161.06052	8.4
164.04811	15.5
168.00633	3.1
169.01439	15.7
175.04066	1.6
179.07158	67.9
180.07448	2.7
183.10252	2.6
189.05560	3.1
190.06311	2.1
195.02956	8.3
317.09164	3.6
366.34628	1.7
391.63522	1.5
405.19247	6.8
567.24768	33.3
568.24536	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	567.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20885	0.7
52.23497	0.6
54.20319	0.5
57.03434	1.2
58.27874	0.5
59.01368	2.6
61.98829	0.7
66.61767	0.7
69.03461	2.1
69.22244	5.1
70.41570	0.6
70.72902	0.6
71.01377	2.7
73.02915	0.6
75.00839	0.8
78.95879	0.6
79.01898	0.7
81.03461	2.0
82.78075	0.6
83.01379	1.0
85.02963	0.6
85.63459	0.6
89.02463	1.1
95.01403	1.6
97.02945	1.4
99.00887	1.2
101.02492	1.0
107.01392	3.3
111.00880	1.8
113.02463	1.6
119.03512	0.6
123.00897	5.5
124.01660	1.2
125.02457	65.5
126.02786	1.2
129.01950	1.3
136.98801	0.9
137.47643	0.6
139.00365	2.4
139.96597	0.6
140.01178	1.8
141.01901	0.6
151.00385	2.7
168.00655	1.4
169.01437	100.0
170.01759	2.9
177.03961	0.8
183.13803	0.8
235.17052	0.8
237.18628	6.5
253.18019	4.9
329.05179	3.2
415.23395	26.9
416.23792	2.1
442.00293	0.7
517.76019	0.6
567.24451	55.6
568.24963	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	568.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55444	4.7
52.90451	4.8
59.01382	8.6
61.98831	18.1
69.09666	45.8
80.15034	5.7
97.85152	5.4
104.02266	5.8
107.01399	7.2
117.49708	4.7
123.27092	5.4
125.02474	31.3
138.39034	4.7
151.00374	10.3
169.01491	26.0
188.63274	5.4
243.03027	11.7
255.03023	22.2
271.02533	58.9
271.08344	5.2
272.02768	7.0
300.02786	100.0
300.99924	16.1
301.03510	34.4
442.51837	5.5
460.22794	5.3
494.78003	5.5
505.09952	97.0
506.10364	9.2
524.77142	5.1
568.17706	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	568.095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10497	4.1
61.98821	17.3
69.55824	11.2
69.56233	16.5
71.31709	3.4
81.53173	4.0
98.21745	5.8
123.00853	5.1
124.01656	4.4
125.02504	19.7
137.02426	5.7
139.04028	7.7
151.00357	12.0
169.01459	14.6
173.05939	4.5
178.99866	5.1
243.02904	10.8
255.02963	22.5
271.02542	52.8
272.02927	4.6
299.01807	4.8
300.02765	100.0
301.03473	36.3
302.03979	5.4
439.57535	4.7
446.09805	4.6
505.09976	95.8
506.10254	4.7
568.24585	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	569.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92903	0.2
51.74414	0.2
58.57180	0.2
60.33520	0.2
63.87307	0.2
64.23330	0.2
69.05968	0.2
69.06315	1.9
70.54664	0.2
79.33866	0.2
79.95747	3.1
95.57711	0.2
96.96024	100.0
98.21770	0.4
125.02447	2.3
145.70044	0.2
161.02457	0.5
169.01445	0.8
269.04541	0.3
287.05615	0.5
319.08209	0.2
471.09445	0.5
477.02209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39288	0.3
63.02404	2.4
65.00330	4.2
66.75537	0.3
69.22387	1.0
69.22800	2.2
73.22081	0.5
83.01395	4.0
91.01898	1.0
93.03492	2.0
103.07566	0.3
107.01406	8.9
109.02983	3.6
110.20198	0.3
119.01369	0.5
121.02968	8.6
123.00880	0.8
124.39205	0.3
125.02467	1.0
130.26910	0.3
135.00896	1.1
137.02423	1.0
139.04019	0.4
143.05049	1.0
149.02446	1.5
151.00388	32.7
152.00761	0.6
157.06606	0.5
159.04509	1.3
161.06001	0.4
163.00398	4.3
164.00995	0.7
165.01979	0.6
167.05025	1.0
169.01460	1.2
175.03917	0.5
178.99887	14.6
180.00230	0.7
182.03653	0.5
183.04501	1.2
185.06146	1.7
187.04039	2.5
189.05598	0.9
193.01358	0.8
193.45358	0.4
195.04660	0.5
197.06116	0.5
199.04027	0.6
201.05600	1.4
203.03580	0.6
207.02966	0.4
211.04048	2.9
212.04668	0.8
213.05603	1.0
227.03566	3.1
229.05083	7.6
239.03532	1.2
240.04256	0.6
241.05080	1.2
243.03023	1.0
245.04631	3.0
255.03032	3.7
256.03708	0.9
257.04605	3.5
271.02527	1.4
273.04059	2.3
283.02185	1.9
283.05060	0.8
285.04080	41.8
286.04453	2.4
300.02884	1.3
301.03571	100.0
302.03864	5.0
431.04669	0.4
433.07745	0.5
525.90411	0.4
538.44885	0.4
551.51611	0.4
568.24969	0.5
569.09460	13.5
569.25708	1.7
570.09814	1.1
591.15674	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	569.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.9
61.98846	3.1
65.00316	3.4
69.36443	5.8
69.36835	16.7
71.01386	4.6
78.95901	4.0
83.01403	3.5
84.95124	6.4
85.02952	3.5
95.01414	5.0
96.96013	8.0
99.02393	2.8
101.02480	3.0
107.01399	5.3
115.01885	3.1
117.03483	5.8
119.01346	2.9
120.29548	2.7
123.00901	3.2
125.02467	29.3
131.01410	4.8
132.02232	9.4
133.02957	9.7
135.04567	7.6
137.02473	7.6
140.01366	2.8
143.01402	3.7
145.02943	22.9
147.00861	4.8
147.04567	6.0
148.01736	4.9
151.00435	3.8
156.02158	3.7
157.60124	2.7
159.00941	6.1
159.04581	3.6
160.01752	6.6
161.02428	38.2
163.00386	8.6
163.04030	11.7
164.01199	2.9
169.01443	33.5
171.00891	12.5
172.01677	8.4
173.02448	19.0
174.03233	2.9
175.03975	5.3
176.01146	7.1
177.01944	6.9
177.04082	4.6
179.03529	6.3
183.04558	4.1
185.02504	4.5
185.06148	3.1
187.00366	12.3
187.04016	4.4
188.01147	15.5
189.01973	34.8
190.02725	7.2
190.99890	5.8
191.03529	9.3
199.00424	12.8
200.01178	10.1
201.01955	23.3
203.03577	10.2
205.01427	4.2
211.04204	4.7
213.01978	3.9
214.99930	19.5
215.03398	4.2
216.00635	13.8
217.01395	29.4
218.02007	3.8
226.99861	11.2
227.03488	18.8
229.01437	18.5
229.04991	13.7
231.02968	5.6
232.00168	4.8
233.01059	4.2
234.01772	3.6
241.05075	4.3
242.99374	28.3
244.00085	7.5
245.00960	16.5
247.02483	5.4
254.99236	5.7
255.02994	28.5
256.03455	3.8
257.00964	3.4
257.04547	6.0
259.99652	21.6
261.00360	9.7
267.03067	3.8
270.98846	63.7
271.06165	3.7
271.99457	12.3
273.00415	43.1
273.03802	4.8
275.02109	4.3
284.03268	52.9
285.04041	84.4
286.04468	8.0
298.98361	100.0
299.99008	11.7
300.99881	21.1
301.03561	7.2
315.82742	2.8
331.79605	2.7
341.03171	5.8
417.08322	44.0
437.04913	5.0
469.11362	14.9
481.11502	6.9
497.10941	8.3
507.09457	5.0
513.10425	60.6
514.11053	4.2
525.10413	56.0
526.11194	5.5
541.09906	84.5
542.10431	7.9
551.08380	9.9
569.09515	73.2
569.26392	28.8
570.09558	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	569.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01386	10.4
61.98832	1.7
69.03477	1.1
69.37163	5.7
69.37586	2.0
71.01383	6.4
73.02932	4.5
79.01904	1.3
79.98462	1.1
83.01421	2.4
89.02450	1.1
91.85041	1.0
95.01427	2.4
97.02935	1.4
99.96819	0.9
101.02461	3.5
106.74619	0.9
107.01392	10.1
110.00079	1.1
111.00900	4.1
122.03728	1.2
123.00906	19.3
124.01736	1.5
125.02463	40.0
136.98825	2.3
137.02480	1.4
139.00378	9.0
140.01160	6.9
141.01968	2.1
151.00407	13.6
153.62813	1.2
155.03481	2.2
155.10770	4.4
164.01013	1.0
164.45932	1.1
168.00616	4.8
169.01439	46.5
170.01820	1.4
199.09723	1.2
211.02435	1.1
234.01933	1.2
253.80338	1.0
255.02969	1.1
285.03973	1.1
286.63727	1.1
301.03207	1.7
302.03644	2.3
418.23685	1.0
465.17621	1.5
472.45886	1.1
493.61444	1.1
525.19806	100.0
526.20294	11.5
569.12024	1.1
569.25714	11.9
570.28107	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	569.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01390	8.5
59.01675	0.6
61.98852	0.6
69.03481	0.6
70.35809	1.0
71.01385	2.6
72.99306	0.4
73.02972	1.9
78.95938	0.5
83.01394	3.5
85.02964	0.7
93.03442	0.5
98.22488	0.5
99.00892	0.5
99.04540	1.0
99.90870	0.4
101.02472	1.7
109.02969	0.6
109.06618	1.3
111.00892	4.1
113.02468	0.6
117.85198	0.5
121.06552	0.7
123.00924	1.5
123.04548	0.8
125.02452	10.7
132.64429	0.4
137.02489	3.5
139.00392	13.5
140.01170	86.3
141.01888	3.5
145.02975	1.2
151.00348	0.5
153.01939	2.5
154.02693	2.7
155.03517	100.0
156.03841	2.2
161.06061	0.7
163.00433	0.8
163.07658	0.8
164.01147	0.8
165.01979	0.9
165.12894	0.5
167.03503	0.7
168.00645	1.0
169.01443	3.9
176.77789	0.6
189.12878	0.7
191.10703	0.8
207.13916	4.3
209.11838	2.9
227.03506	1.0
233.11800	5.6
251.12956	2.4
255.02840	0.7
269.13974	4.4
271.06219	1.0
275.01950	1.1
275.12915	0.6
285.03876	0.5
293.14081	0.6
299.07678	0.8
299.12799	0.8
300.99854	0.8
303.07135	1.3
317.08804	27.0
317.14276	1.4
318.09091	1.7
335.14880	0.6
353.16052	0.9
391.21045	1.4
413.18320	3.3
425.05093	0.5
432.22275	0.5
509.20453	2.8
510.20392	0.5
551.20929	1.7
569.22119	37.0
570.22491	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	569.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12832	1.0
57.03443	1.5
59.01383	3.1
61.98845	6.7
63.02400	1.0
64.63359	1.0
65.00325	2.1
67.01887	1.3
71.01374	3.5
83.01388	3.2
85.02955	1.2
91.30364	0.8
95.01403	2.7
101.02460	2.2
107.01403	8.5
109.02969	3.9
111.00897	2.9
113.02461	1.7
119.05009	1.0
121.02946	5.5
123.00914	14.8
123.04491	1.0
124.01706	2.0
125.02465	29.4
126.02796	1.0
127.00392	0.9
135.04506	1.1
136.98830	1.4
137.02473	3.1
138.03130	1.0
139.00388	6.3
139.03989	1.8
140.01175	8.2
141.01825	1.3
147.08090	0.8
149.02403	2.1
151.00406	29.6
151.04053	1.9
153.01927	1.6
155.03506	3.3
159.04526	0.9
161.02422	1.6
163.00352	2.6
168.00679	3.2
169.01440	29.0
177.01909	1.2
178.99881	9.0
183.04578	1.1
187.03871	1.2
211.02425	4.7
222.62672	1.0
229.05116	3.0
229.24315	1.1
245.04550	2.0
255.02983	3.1
255.10268	2.2
257.04483	1.0
271.04633	3.9
273.04034	1.7
285.04031	10.0
289.07230	1.9
300.02606	1.4
301.03558	56.4
302.03885	3.8
303.05099	1.8
313.05695	3.2
371.24423	1.5
569.10059	6.8
569.17004	7.3
569.25995	100.0
570.17944	1.9
570.26129	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	569.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03439	1.2
57.27764	0.5
59.01383	3.5
61.98827	0.6
67.01885	1.3
69.03471	0.7
71.01384	2.7
71.28371	0.6
72.99290	0.7
73.02935	0.5
78.95905	0.5
79.01905	1.0
80.60358	0.4
81.03451	0.6
81.63228	0.4
83.01395	0.9
84.95087	0.6
85.02947	1.8
87.00867	0.6
89.02457	1.0
92.36957	0.4
95.01378	1.7
97.02930	1.1
98.68563	0.4
99.00893	0.9
101.02424	1.2
107.00731	0.7
107.01396	7.6
107.02081	0.8
109.03001	0.6
110.00068	0.4
111.00895	2.9
113.02438	1.4
123.00898	14.7
123.33022	0.4
124.01720	0.9
125.02459	35.4
126.02790	1.2
127.00404	1.0
135.04524	0.6
136.98772	1.1
137.02419	0.6
139.00395	5.0
140.01183	4.8
141.01976	2.2
151.00381	10.3
151.04016	0.6
153.01952	1.4
155.03540	1.0
163.00352	0.6
165.01851	0.5
167.00047	0.4
168.00682	3.5
169.01437	45.5
170.01805	1.3
177.04094	0.6
181.05052	0.7
207.02876	0.4
211.02542	2.2
229.01537	0.5
257.00967	0.7
271.04556	2.2
275.02075	0.8
285.04031	1.2
300.99814	1.1
313.05826	1.3
329.05170	2.4
372.69638	0.4
408.02029	0.5
525.20319	0.5
569.26050	100.0
570.26361	12.4
594.55682	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	569.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98840	6.0
67.01875	1.3
69.54173	6.1
71.01379	4.4
72.45882	1.0
72.99293	1.1
78.17626	1.0
79.01916	1.2
79.60419	1.0
83.01381	1.5
92.88757	0.9
95.01402	2.2
95.75834	1.0
96.47601	1.1
97.02935	1.4
101.02446	2.3
105.10561	0.9
107.01421	11.1
111.00891	1.6
113.02415	1.0
122.45306	0.9
123.00893	13.0
125.02459	25.5
136.98817	2.7
137.02464	1.5
139.00392	4.3
140.01170	3.6
141.01996	2.4
151.00366	8.0
156.99144	1.0
168.00623	2.7
169.01440	39.1
169.49416	1.0
231.20483	0.9
258.70554	1.0
313.05594	1.2
569.26038	100.0
570.26337	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	569.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04676	1.3
59.01366	2.9
61.98832	18.6
65.63348	1.3
67.01884	1.6
69.00898	6.2
69.01315	7.1
71.01370	3.0
72.99288	2.0
78.02752	1.4
83.01415	1.6
89.02467	2.2
98.22674	2.3
107.01405	2.3
109.56821	1.4
110.00127	1.9
111.00886	8.4
117.03469	3.0
119.05056	1.8
123.00895	3.2
124.01714	3.0
125.02444	4.1
127.00376	3.5
136.98834	6.8
139.00372	9.8
140.01175	15.3
145.02936	9.7
151.00417	1.5
163.41289	1.8
168.00667	18.3
169.01451	7.0
197.99667	1.4
222.24211	1.4
345.20731	1.9
389.19858	2.3
393.96780	1.4
418.35153	1.5
569.26062	100.0
570.26215	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	570.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86262	0.4
59.11811	0.5
61.98837	100.0
71.01411	0.5
71.27198	0.7
88.92779	0.4
104.09215	0.4
109.02973	0.5
123.00940	0.5
124.01738	0.5
125.02473	2.8
133.53793	0.4
139.04085	0.6
141.20847	0.5
161.02469	0.9
165.05556	0.5
167.03690	0.6
168.00652	0.5
169.01476	1.6
187.04005	0.6
195.06589	0.5
224.46152	0.4
287.01947	0.7
295.06284	0.5
315.01651	1.6
330.03851	2.3
339.20673	0.5
345.06168	3.0
353.10648	0.8
354.10669	1.0
357.16061	0.4
393.84100	0.4
520.97278	0.6
577.45129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18124	0.4
60.99295	0.4
70.36579	0.6
70.36958	0.5
78.86576	0.3
79.95752	2.6
88.98827	2.8
96.96017	100.0
99.84032	0.4
123.00916	2.1
124.01692	0.6
125.02470	4.3
139.04004	1.2
149.02432	1.0
151.00398	1.3
153.01967	4.0
167.03505	10.1
168.03844	0.4
169.01436	4.8
177.01923	1.0
193.01410	0.8
303.05151	0.6
319.04587	8.3
319.08194	0.6
320.04739	0.4
473.06985	2.3
493.00882	1.4
553.03320	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	571.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18124	0.4
60.99295	0.4
70.36579	0.6
70.36958	0.5
78.86576	0.3
79.95752	2.6
88.98827	2.8
96.96017	100.0
99.84032	0.4
123.00916	2.1
124.01692	0.6
125.02470	4.3
139.04004	1.2
149.02432	1.0
151.00398	1.3
153.01967	4.0
167.03505	10.1
168.03844	0.4
169.01436	4.8
177.01923	1.0
193.01410	0.8
303.05151	0.6
319.04587	8.3
319.08194	0.6
320.04739	0.4
473.06985	2.3
493.00882	1.4
553.03320	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	571.073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67915	2.1
60.65459	2.0
63.98396	2.0
65.00340	2.6
65.73672	2.2
71.01383	4.7
71.26955	1.9
71.27384	2.6
75.58901	1.9
81.03467	2.3
83.26156	1.7
85.02959	4.0
85.17142	1.9
87.00888	11.0
88.84993	1.8
89.03955	2.5
95.01405	6.0
96.96040	2.1
105.03494	2.1
108.02197	18.5
109.02966	27.6
115.01926	3.3
117.03486	7.6
118.76565	1.9
119.01389	3.7
121.02911	2.0
123.00901	5.7
123.91174	2.1
125.02463	6.6
131.01411	4.1
132.02185	8.1
133.02962	7.8
135.00870	2.1
137.02461	2.9
143.01430	4.2
144.02159	2.6
145.02989	16.9
147.00888	2.6
147.04559	3.9
148.01591	3.3
157.02991	3.2
159.00841	4.2
160.01677	6.3
161.02460	33.9
163.00380	5.3
163.04036	6.1
169.01421	5.2
171.00880	10.4
172.01680	7.6
173.02469	13.3
175.03996	5.7
176.01172	4.9
177.01938	7.0
179.03517	3.9
185.02415	3.9
187.00337	12.2
188.01172	12.8
189.01956	27.8
190.02718	4.1
190.99892	3.9
191.03563	7.1
192.00578	2.5
199.00380	9.3
200.01180	6.2
201.01958	15.8
202.99806	2.6
203.03497	8.0
205.01376	3.1
213.05501	2.8
214.99875	20.6
215.03532	2.5
216.00595	12.1
217.01425	19.8
217.05215	2.5
226.99881	8.0
228.00569	2.9
229.01414	14.2
229.05106	3.1
230.99214	2.8
231.02924	4.1
233.00891	3.9
235.02612	3.3
241.05049	2.7
242.99371	22.4
243.03038	2.4
243.35141	2.2
244.00125	5.4
245.00972	18.6
246.01727	3.1
247.02551	5.5
254.99329	4.3
257.01044	5.8
257.04446	4.1
259.99652	20.8
261.00461	11.8
262.98328	2.1
270.98868	55.1
271.99542	9.2
273.00427	35.6
284.03284	1.9
285.03934	2.5
298.98349	100.0
299.99066	13.7
300.99994	22.1
301.03415	4.3
385.02173	4.0
441.43085	2.5
471.09372	4.3
483.09241	4.2
499.09048	3.6
509.07224	2.7
515.08350	40.8
516.09137	2.6
527.08398	34.9
528.08478	4.1
543.07886	62.2
544.07898	5.4
553.05969	9.9
571.07306	47.4
572.07379	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	571.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
71.01386	0.6
71.27871	0.4
72.43799	0.3
77.18861	0.3
78.80666	0.3
82.95376	0.4
83.01382	0.5
84.22582	0.3
84.65279	0.3
85.02969	0.7
88.61765	0.3
94.98086	0.9
95.01375	1.3
96.95995	0.3
113.47401	0.3
116.57780	0.3
123.00890	2.6
124.01701	2.2
125.02431	1.1
128.03563	0.7
129.03505	0.5
137.02473	0.4
139.00388	0.5
139.03999	1.4
141.03456	0.4
143.04616	0.7
143.76978	0.3
145.02954	1.5
147.04520	0.6
157.02953	1.0
161.02493	0.6
163.03981	0.7
169.01416	1.0
173.02428	1.8
175.04034	0.3
180.40437	0.3
185.02470	2.5
189.01913	0.8
190.02586	0.5
191.03499	0.4
200.01144	0.5
201.01933	2.5
203.03491	0.4
209.11879	1.7
217.01399	0.7
219.02922	0.3
225.15134	0.4
226.99841	0.5
227.12791	1.9
228.00604	0.6
229.01428	5.0
230.01846	0.5
231.03006	0.4
245.00916	2.0
257.00919	3.4
258.01569	0.6
265.71274	0.4
273.00385	0.8
274.01141	0.5
275.01974	3.7
283.99603	3.1
299.99164	2.4
300.99915	100.0
302.00238	5.4
306.07712	0.9
393.50735	0.3
403.23691	0.4
522.16840	0.4
543.77362	0.3
571.10986	22.6
571.23822	1.9
572.11151	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	571.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22119	2.6
60.98788	2.4
66.19490	2.6
70.30360	8.6
86.96265	2.3
87.53457	2.2
108.02189	59.1
109.03004	11.7
127.19741	2.7
135.16382	2.4
152.01160	48.6
153.01988	23.1
186.80898	2.3
209.29184	2.9
285.03049	5.7
285.06195	100.0
285.09299	5.8
286.06525	3.4
300.99966	6.6
416.46494	2.7
481.06308	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	571.1465
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-(6''-O-galloyl)-glucopyranoside
Peak:m/z	Relative Intensity
50.99691	0.7
52.98988	0.6
57.26081	0.6
59.01379	2.5
61.98831	2.7
65.03971	5.4
67.01897	1.1
69.03452	1.7
71.01395	4.9
75.58290	0.6
79.01898	1.2
83.01421	1.7
85.02970	1.1
91.01917	1.6
93.03471	3.9
95.01417	1.7
95.77888	0.6
97.02991	1.2
98.22523	1.7
101.02460	1.4
107.01411	10.5
107.05036	9.1
109.02972	7.2
110.00127	0.8
111.00902	2.2
113.02445	2.4
123.00916	9.9
123.04458	0.8
124.01679	1.1
125.02468	68.6
126.02820	2.2
127.00398	0.7
135.00917	1.6
137.02493	2.2
139.00406	4.4
140.01178	2.2
141.01953	1.1
149.02505	0.7
150.03273	1.6
151.00444	7.3
151.04034	97.4
152.04373	2.7
153.01910	0.7
163.04082	3.3
165.05669	0.9
167.03511	0.9
168.00655	4.4
169.01453	92.8
170.01799	2.8
179.03598	0.8
193.01384	1.0
193.05203	0.8
211.02512	3.1
223.02467	1.2
241.03471	1.0
253.03670	1.2
257.08240	11.8
258.08542	1.0
271.04782	0.9
313.05707	80.7
314.05872	3.9
342.59296	0.7
382.84955	0.7
465.10345	4.6
472.13092	0.7
480.04041	0.7
571.14618	100.0
572.15039	11.7
584.62073	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	571.2892
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
73.79862	10.5
78.95910	76.1
152.99637	58.1
229.13164	16.1
241.01303	19.7
255.23299	72.2
315.04910	15.6
402.80341	12.6
571.29034	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	572.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95374	2.3
58.02972	11.2
70.02996	4.6
91.05589	3.5
105.36639	2.8
147.04541	21.9
164.07187	51.8
164.08548	2.8
165.07507	4.6
196.99626	2.5
206.08231	100.0
216.83966	2.6
275.01880	5.1
293.35800	3.2
301.00015	14.3
537.76440	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	572.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59868	0.3
57.03447	0.5
59.01384	5.8
61.98837	100.0
65.16696	0.4
71.01392	3.9
74.75123	0.4
82.40376	0.4
85.02988	0.8
89.02451	5.5
98.21822	1.0
100.22579	0.4
101.02491	2.3
106.90134	0.4
110.95419	0.4
113.02470	2.3
119.03539	2.5
125.02503	1.2
130.80635	0.4
140.16898	0.4
143.03540	0.5
149.04538	0.5
161.04578	0.5
169.01508	0.8
179.05612	2.6
189.12907	0.7
219.10393	0.5
233.11961	0.7
236.25238	0.4
285.18549	0.6
291.01620	0.4
296.26276	0.4
303.19754	1.8
329.17606	3.9
347.18658	27.4
348.18961	2.2
389.19998	1.4
509.23959	38.5
510.24289	4.6
572.27008	0.6
573.22852	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	573.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96309	0.3
59.01387	0.4
65.00332	0.6
68.95019	1.3
68.95444	2.5
79.95755	3.6
80.41593	0.3
96.96024	100.0
98.21819	0.8
107.01378	0.7
121.03033	0.3
125.02415	0.9
151.00372	3.0
155.46567	0.3
166.02716	0.4
169.01469	0.6
179.00056	0.4
181.05048	0.6
204.98279	0.4
205.85330	0.3
206.46863	0.4
243.03059	0.5
246.99312	0.5
255.02985	0.5
271.02399	0.6
289.97705	0.4
299.99692	0.4
300.02524	2.0
301.00003	1.4
301.03210	0.6
302.00323	1.7
303.00464	1.1
338.98355	0.5
352.99512	0.4
356.99347	1.0
370.97113	0.6
399.00354	17.9
400.00641	0.9
475.08875	1.5
531.04529	0.5
573.02252	0.6
573.11993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25671	0.3
59.01376	2.3
61.98838	0.6
71.01382	1.9
79.82828	0.3
79.95744	3.4
81.04728	0.3
89.02453	2.8
94.98121	0.5
96.96023	100.0
101.02454	1.1
107.01428	0.9
111.00818	0.3
113.02477	0.7
119.03518	0.8
123.00887	0.9
125.02470	2.6
151.00410	1.7
168.00574	0.4
169.01460	3.8
179.05638	1.3
255.03142	0.5
271.02423	0.8
272.02759	0.3
283.02490	0.3
300.02798	1.2
301.03555	0.9
334.02432	0.3
351.21771	4.9
356.99344	0.3
359.40714	0.3
371.98386	0.3
398.95532	0.6
399.00427	10.1
399.05679	0.5
400.00488	0.8
401.09552	0.3
421.11423	2.5
475.08960	1.8
531.04633	0.4
573.02075	0.8
573.12500	6.3
574.13025	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	573.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14249	1.6
59.01384	1.6
69.03479	2.0
71.26252	4.1
73.11227	1.7
81.16084	1.9
83.84738	1.6
106.30441	2.2
107.01418	5.3
108.02212	1.7
123.00951	2.2
123.04509	1.7
125.02464	68.8
145.03003	1.9
163.00409	2.5
168.00652	2.9
169.01447	100.0
170.01816	3.7
188.64888	1.9
193.01454	2.2
211.02521	5.3
229.01443	6.1
240.75165	1.9
245.01131	2.2
249.03847	2.8
257.00787	3.8
271.04541	4.0
275.02127	9.1
300.99915	67.3
302.00174	3.7
311.75775	1.9
313.05634	2.9
331.06766	9.3
428.94525	2.0
481.06491	4.7
483.07825	85.6
484.08157	8.4
499.07568	3.4
573.08759	11.2
574.08777	2.6
574.17560	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29727	4.5
59.01392	6.0
60.99315	5.3
61.98827	17.9
70.18838	4.5
70.93793	7.9
71.01360	11.9
78.95914	6.4
81.52273	4.4
87.00872	84.8
87.92522	7.1
88.01200	8.0
88.98805	44.8
90.14719	5.0
98.06944	4.9
101.02466	4.9
103.92041	5.7
111.00894	6.7
123.00943	5.9
123.94663	5.8
125.02470	64.4
127.49421	4.9
133.01450	15.2
134.76270	4.9
140.75645	4.3
142.97589	6.1
168.00697	6.8
169.00180	8.7
169.01451	100.0
197.04500	8.1
211.02434	25.6
224.92012	8.2
228.97559	17.7
229.97913	6.5
230.97392	51.6
270.85919	6.7
271.04642	18.3
300.99945	19.8
313.05655	8.4
341.10699	5.3
359.09393	6.5
361.52777	5.4
439.08841	6.0
483.07681	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75194	3.5
70.53308	12.0
88.98836	9.8
95.09248	4.1
98.21841	4.8
100.57204	3.7
123.00918	5.9
125.02467	33.4
151.00444	4.3
168.00664	12.2
169.01457	44.1
177.35394	4.0
185.02502	4.5
193.01486	10.1
211.02484	38.5
229.01457	8.4
271.04529	19.9
275.01978	4.4
283.99808	5.2
285.04053	4.8
300.99893	100.0
302.00079	5.4
313.05685	7.1
483.07596	66.6
483.13208	4.7
484.08060	5.8
545.10040	4.0
573.08966	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88779	0.7
60.99307	2.4
63.33776	0.6
66.05714	0.7
67.01838	0.6
71.01376	1.3
76.20242	0.7
88.98821	9.9
97.02932	1.1
98.21761	1.3
107.01379	1.2
114.93478	1.1
117.21153	0.6
123.00902	1.4
124.01685	1.1
125.02460	60.9
126.02803	1.8
139.00418	1.1
142.38712	0.7
151.00368	1.4
165.94739	0.7
168.00694	1.3
169.01443	100.0
170.01801	3.1
184.95557	0.7
211.02493	1.1
229.22731	0.7
232.01985	0.7
300.99951	1.5
313.05667	23.7
314.06039	1.8
331.06769	2.3
399.87683	0.7
483.07822	68.1
484.08292	5.6
569.12109	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	573.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36352	5.8
69.36776	7.7
82.85111	2.0
91.56644	2.1
97.85819	1.9
107.01389	8.8
113.02495	2.2
125.02462	65.5
126.02762	2.4
151.00331	2.5
169.01439	100.0
170.01758	3.1
211.02402	2.9
271.04541	3.7
301.00150	3.3
313.05725	2.7
331.06631	10.9
483.07849	92.6
484.08142	8.7
524.61053	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	573.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21659	4.2
51.45991	4.4
51.58723	4.5
60.99317	6.6
69.48346	27.4
71.01374	4.4
76.07628	4.8
86.53348	4.4
87.25934	4.5
88.86599	4.6
88.98815	24.9
91.93510	6.0
93.69509	4.1
100.91803	4.5
107.01459	5.4
120.30481	4.8
123.00904	12.0
125.02456	58.6
137.02469	14.4
139.00386	5.6
140.01176	5.7
149.02498	6.6
151.00415	9.1
165.01999	7.7
168.00630	8.8
169.01453	80.1
170.01796	5.9
177.02014	4.8
181.01326	5.5
183.02959	4.2
193.01514	7.8
201.01952	6.5
207.35388	4.3
211.02451	31.3
212.03043	4.9
229.05167	5.3
231.06711	6.4
235.00589	4.7
255.02986	5.9
271.04510	22.3
285.04144	7.6
300.99930	60.0
313.05688	8.5
343.04602	6.9
361.06097	5.5
404.94394	4.3
423.05920	12.0
483.07260	100.0
484.08392	11.4
555.09515	9.1
573.09436	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01354	0.6
71.27692	0.5
80.73366	0.5
87.22176	0.4
88.98817	0.6
95.01352	1.2
108.02195	0.9
109.02946	2.1
114.84396	0.5
123.00863	1.7
125.02452	1.9
129.43965	0.4
145.02936	1.2
157.02893	0.5
169.01418	2.8
173.02438	1.9
185.02426	2.1
189.01964	0.9
191.03401	0.8
200.01109	0.5
201.01967	2.2
203.03488	0.6
207.24016	0.5
211.02449	0.6
217.01320	0.5
226.99844	0.5
228.00764	0.4
229.01381	4.8
245.00894	1.4
257.00940	3.5
258.01538	0.6
271.04660	0.8
273.00424	0.8
274.01163	0.6
275.01926	4.4
283.99710	2.1
299.99246	2.6
300.99915	100.0
302.00290	6.1
313.05841	0.5
483.07889	1.9
573.08936	21.0
574.09393	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	573.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03321	2.0
60.99314	16.1
61.57330	2.5
70.79070	5.2
71.01371	2.6
74.66298	2.4
88.98814	88.2
98.21780	2.6
107.01393	4.6
123.00909	6.6
125.02458	18.1
139.00354	13.7
140.01125	5.6
141.01909	2.2
151.00388	4.8
153.01930	2.2
154.02716	10.1
155.03484	3.2
168.00548	3.7
169.01437	29.5
169.05083	3.1
183.02998	9.8
195.75369	2.2
236.78125	2.1
313.05740	5.9
316.04495	2.5
327.06979	3.5
374.42487	2.7
483.11469	100.0
484.11655	7.1
484.40637	2.5
559.82825	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	573.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25319	0.4
57.03456	0.6
59.01378	2.5
61.98824	0.9
64.29883	0.4
65.00330	0.5
67.01902	1.1
69.03473	0.8
69.56853	0.4
71.01381	1.6
72.99327	0.5
73.02962	0.7
76.70506	0.5
79.01888	1.3
83.01399	1.3
85.02949	1.1
87.00882	0.7
95.01408	2.1
96.96030	5.4
97.02971	0.6
99.00903	0.7
99.35783	0.5
101.02441	1.5
102.45380	0.5
107.01411	7.0
110.00102	0.8
111.00896	3.6
113.02488	1.1
123.00903	12.5
124.01731	2.9
125.02461	35.7
126.02757	0.8
127.00393	0.9
136.98798	2.4
137.02440	1.0
139.00380	6.0
140.01186	4.6
141.01935	1.9
149.02328	0.6
151.00388	8.7
151.04030	0.7
153.01910	1.2
153.74356	0.5
154.99870	0.7
166.99878	0.7
168.00653	9.1
169.01442	38.6
170.01772	1.3
179.03406	0.6
211.02505	2.6
215.51598	0.4
229.39046	0.5
261.28415	0.5
295.04556	0.7
297.06235	1.5
301.00223	0.5
303.00409	0.7
313.05823	2.8
368.38205	0.5
399.00430	1.1
403.10287	3.5
421.11481	12.2
422.11688	0.6
465.06760	1.0
484.72205	0.5
523.63605	0.6
551.07648	0.6
573.12537	100.0
574.12854	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	573.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35829	0.4
57.03445	2.0
58.43348	0.4
67.01904	0.5
69.03462	0.6
69.07211	4.5
81.03473	1.5
83.01392	1.3
88.58506	0.5
93.03481	0.9
95.05042	0.7
97.02977	3.1
109.02953	7.7
109.03622	0.8
121.02967	1.3
123.00877	1.6
123.04539	4.9
124.01665	4.8
125.02460	58.7
126.02754	1.4
135.04558	0.6
137.02458	6.5
139.00394	0.7
139.04042	1.0
140.01167	0.7
145.02971	2.5
149.02455	2.2
150.03178	1.1
151.04008	5.3
157.55118	0.5
159.04523	2.1
160.05295	0.8
160.35464	0.5
161.06090	1.9
162.03293	0.8
164.01135	1.1
165.01956	2.3
166.99844	0.8
167.03580	0.6
168.00638	2.8
169.01439	100.0
170.01775	2.2
175.07674	0.9
179.03490	2.6
185.06046	0.8
187.04070	2.0
188.04800	1.3
193.01445	2.0
201.05620	0.6
202.06375	0.4
203.07111	5.6
204.07574	0.6
205.05109	2.6
211.04103	0.5
221.08311	1.0
227.07135	1.5
229.05139	0.5
245.08218	7.3
247.06104	0.8
253.05042	0.8
259.06161	0.9
271.06143	4.7
275.05606	0.8
289.07202	36.7
290.07520	1.6
301.05670	36.5
302.06036	1.7
303.05203	1.8
331.04739	1.2
387.45181	0.5
435.09674	1.0
441.08286	38.9
442.08881	3.8
511.73907	0.6
573.12640	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	573.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40852	0.4
53.94266	0.4
55.01864	0.6
59.01370	1.6
59.53441	0.4
65.00338	0.6
67.01871	1.2
68.43538	0.4
69.03451	1.4
69.81028	1.8
70.98692	0.7
71.01373	2.1
72.99304	0.8
73.02940	1.1
79.01918	0.9
83.01384	1.4
85.02964	1.2
86.07054	0.4
87.00894	0.6
94.98115	3.0
95.01400	3.1
97.02977	1.3
99.00869	0.7
101.02440	2.1
107.01396	13.6
111.00893	3.2
113.02449	1.0
123.00900	14.1
123.04574	0.6
124.01673	2.5
124.25119	0.5
125.02465	43.3
126.02831	0.8
127.00360	1.3
128.06277	0.4
136.98822	1.8
137.02473	0.7
139.00403	7.3
140.01190	5.6
141.01915	1.3
151.00403	12.5
151.04034	0.5
154.99828	0.5
163.03989	0.8
168.00659	6.9
169.01445	47.6
170.01822	1.1
170.62376	0.5
179.03558	0.5
181.05098	1.2
253.03554	1.0
313.05728	2.2
329.06738	0.5
351.21838	5.6
403.10297	1.5
421.11417	42.8
422.11859	3.0
573.12531	100.0
574.03931	0.5
574.12836	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	573.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
58.21798	0.4
59.01383	3.6
65.00317	0.6
67.01893	1.4
69.03451	1.8
69.16436	1.2
69.16849	2.4
71.01390	5.7
72.99329	0.6
73.02926	0.9
75.00872	1.5
76.82869	0.4
79.01909	1.3
81.03484	0.4
82.95419	0.9
83.01383	1.2
85.02975	1.8
87.00877	0.8
89.02451	2.6
95.01408	1.8
97.02980	1.0
99.00877	1.3
101.02448	1.6
107.01396	7.9
107.02064	0.6
110.00116	0.8
111.00887	3.2
113.02483	0.9
119.95434	0.4
123.00018	0.7
123.00905	13.2
124.01664	1.5
125.02461	27.3
126.02798	0.8
127.00376	1.2
131.03513	0.4
136.98845	2.2
137.02448	0.5
139.00395	6.9
140.01175	5.4
141.01949	1.9
151.00381	7.1
153.02107	0.4
154.99959	0.5
159.16237	0.5
165.01930	1.0
166.02760	0.6
168.00673	3.7
169.01448	33.9
170.01823	0.8
209.00854	0.5
211.02394	0.5
254.97340	0.4
258.71515	0.4
351.04453	0.4
423.93918	0.5
445.10089	1.0
461.09402	1.3
508.77554	0.4
522.61432	0.5
573.21918	100.0
574.22223	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	573.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49003	0.3
55.23333	0.3
55.64862	0.3
57.03450	0.4
58.09484	0.4
59.01387	1.8
59.72749	0.4
62.51129	0.4
65.00312	0.5
67.01900	1.0
68.99839	0.6
69.03461	0.8
69.16657	2.8
70.35938	0.3
71.01383	6.4
72.99310	1.6
73.02953	0.8
79.01894	1.0
83.01375	0.7
85.02969	2.1
87.00905	1.0
89.02415	0.5
95.01395	1.6
97.02956	1.3
101.02454	1.3
107.01402	16.5
108.01801	0.3
109.02975	0.4
110.00136	0.5
111.00885	1.9
113.02492	1.2
122.03912	0.4
123.00010	0.6
123.00903	11.8
124.01683	0.6
125.02462	45.4
126.02809	1.2
127.00393	1.0
133.02953	0.5
135.04561	0.4
136.98836	1.3
137.02461	0.5
139.00378	5.6
140.01178	3.8
141.01964	1.8
149.02510	0.7
151.00383	13.3
151.03969	0.7
153.01968	0.4
154.99951	0.5
161.02481	1.2
166.99879	0.4
168.00676	3.0
169.01445	58.0
170.01778	1.7
179.03523	1.3
193.01440	0.3
195.03078	0.6
205.01413	0.7
211.02493	0.8
223.02496	6.5
241.03607	1.4
283.04654	10.3
301.05698	0.7
313.06073	0.4
343.06970	0.5
461.09439	0.6
482.90347	0.4
573.21930	100.0
574.22345	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	573.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.5
63.39931	1.6
69.06198	15.2
71.01375	3.4
75.44781	1.7
78.95912	4.3
89.02460	3.1
96.96032	3.4
98.36974	1.6
101.02494	2.7
109.92365	1.6
119.67282	1.7
253.09308	14.9
256.63284	1.6
277.21729	100.0
278.22040	6.8
476.54929	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	574.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
98.21726	2.3
123.00928	1.3
145.02943	2.6
161.02414	2.7
163.03998	2.4
173.02423	2.5
175.03938	1.9
179.03358	1.3
185.02393	1.5
189.01872	2.2
190.02710	1.7
191.03511	3.0
201.01865	5.0
203.03484	2.7
217.01456	5.1
219.02835	1.3
226.99959	1.0
229.01424	4.0
229.21974	1.1
231.02852	2.3
235.02504	1.4
242.99603	1.0
245.00920	5.9
245.69766	1.0
246.01685	1.1
247.02527	4.7
261.00345	3.0
270.98871	5.4
273.00455	12.3
274.01031	1.3
275.01730	1.5
291.01419	1.6
298.98334	9.2
300.99963	5.7
302.00241	4.1
303.01453	1.3
305.02957	2.0
331.00854	1.9
368.11188	1.3
391.03036	2.3
412.10300	1.9
435.05695	2.0
451.05228	6.8
452.05182	1.2
479.04675	28.2
480.04971	1.8
493.06204	4.6
511.07303	15.7
512.07556	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	574.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40152	0.3
61.98836	0.5
68.97628	4.3
68.99583	0.4
71.01404	0.6
73.02956	2.2
96.96017	0.7
98.21722	0.8
101.02482	0.4
103.02987	0.4
125.02473	2.2
132.02194	1.1
134.02504	1.4
134.03767	2.5
148.31238	0.4
160.01675	5.6
160.04086	2.3
162.01981	29.3
163.02768	72.3
164.03154	2.3
169.01447	1.6
175.04007	6.7
186.02007	1.3
188.74664	0.4
190.02423	0.4
193.05115	1.8
195.71500	0.4
204.03021	11.2
205.03487	0.6
213.36818	0.4
236.05650	100.0
237.05975	4.7
286.22064	0.4
287.18536	0.5
301.00339	0.4
310.49054	0.4
337.09311	9.9
338.09756	0.5
341.08893	0.4
398.11014	0.7
574.15649	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	574.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.8
69.71392	2.4
73.02959	1.4
77.51468	0.4
80.85609	0.4
96.96032	0.8
123.73398	0.4
125.02467	1.2
132.02165	0.9
134.02493	1.7
134.03717	2.3
160.01648	4.9
160.04039	1.7
162.01978	29.4
163.02760	64.3
164.03125	2.0
169.01451	1.1
175.04013	6.6
176.03464	0.5
186.01976	0.9
193.05084	1.5
204.03020	9.0
236.05646	100.0
237.05975	4.2
251.21870	0.4
277.41882	0.4
286.43146	0.5
337.09256	10.0
338.09610	0.5
398.10754	0.5
436.84744	0.5
574.14600	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	574.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.4
59.62472	1.6
61.98838	100.0
64.73273	1.8
69.39182	4.5
69.39605	11.1
71.01384	4.5
74.36031	1.8
89.02454	3.1
96.96030	2.0
119.03563	2.3
119.05033	8.7
124.73971	1.8
125.02457	7.4
145.02919	4.3
163.04021	6.8
169.01424	6.9
298.10547	2.1
331.19116	3.6
349.20175	14.8
511.25638	28.2
511.72470	2.2
512.26117	4.1
559.97736	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	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31046	0.4
61.98836	100.0
62.68516	0.4
68.99673	1.3
69.00089	2.9
75.67488	0.5
76.37526	0.4
95.59507	0.4
98.22375	1.6
124.15685	0.4
255.03462	0.5
264.20767	0.4
286.98434	0.4
288.64056	0.4
299.00922	0.6
370.09445	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	575.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68248	0.3
64.17142	0.3
64.94656	0.3
69.19422	2.6
74.26096	0.3
79.19500	0.3
79.95744	3.6
96.96019	100.0
107.01406	0.7
116.68003	0.4
125.02450	2.6
126.02780	0.4
151.00407	1.2
161.02403	0.3
169.01456	2.5
245.00981	0.4
273.00470	0.7
301.03473	4.2
301.06152	0.3
445.45187	0.3
477.06683	3.1
492.37134	0.4
575.10693	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	575.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50297	0.2
59.01377	0.2
59.88134	0.2
69.71192	1.2
75.38593	0.2
79.95750	3.2
94.98071	0.3
96.96023	100.0
98.21855	0.4
104.42657	0.2
109.94541	0.2
141.54961	0.2
154.63866	0.3
167.08585	0.2
169.01353	0.3
255.03052	0.8
257.01263	0.3
271.02521	1.8
271.64761	0.3
272.03113	0.2
275.95724	0.2
298.98859	0.5
299.01859	0.5
299.99503	0.3
300.02756	4.5
300.05954	0.4
315.05142	2.8
316.05466	0.3
326.98282	2.0
327.98981	0.4
340.99814	1.0
341.97046	0.8
355.98575	0.4
367.95001	0.3
368.99243	2.1
369.96194	1.3
370.96854	0.3
371.00916	0.8
388.03006	0.3
397.95267	0.2
397.99619	3.8
399.00098	0.5
413.01974	8.5
414.02344	0.6
429.98572	1.4
477.10464	2.9
515.05194	1.5
533.06006	0.3
575.07471	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	575.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69150	1.1
55.01842	0.9
56.51842	1.1
57.03451	2.3
67.01901	1.7
69.02880	1.1
69.03474	1.4
71.01390	6.4
71.26932	1.7
71.27296	1.4
79.01915	1.2
81.03487	1.1
83.01389	1.3
85.02959	1.5
85.72183	0.9
87.00871	1.1
88.91275	1.0
94.69903	0.9
95.01409	4.0
97.02945	1.9
99.92596	5.2
101.02476	2.6
104.07007	0.9
107.01412	12.5
107.92018	0.9
108.02229	2.8
109.02972	2.8
111.00885	3.5
113.95612	1.0
116.92873	58.2
117.92911	2.7
121.02964	1.5
123.00900	13.8
123.04544	2.4
124.01700	2.4
125.02461	86.5
126.02815	1.8
133.02971	1.1
135.04524	1.3
136.98851	1.9
137.02461	3.4
139.00398	5.4
139.04008	1.3
140.01208	4.3
141.01991	1.1
149.02501	2.1
150.03206	1.3
151.00406	9.5
151.04039	3.6
161.02461	4.7
163.04004	1.5
165.01944	2.6
165.05643	1.9
166.99928	2.3
167.03543	1.0
168.00653	7.3
169.01443	100.0
170.01830	3.2
175.04037	1.1
177.01994	3.6
179.03549	2.0
191.03502	2.0
193.01500	4.8
195.02975	1.0
211.02528	5.4
215.03493	1.1
217.01479	1.3
223.02592	1.7
235.02542	1.4
243.03044	2.0
245.04607	1.9
253.03658	1.3
255.03017	1.4
271.06244	1.3
287.05676	2.7
289.06903	1.4
295.04691	3.5
297.06357	3.4
313.05695	27.0
313.09192	1.4
314.06253	1.7
318.59149	1.0
397.32739	1.2
407.07632	1.4
423.09467	8.4
449.08417	1.4
465.06763	83.3
466.07208	6.5
520.98187	3.9
575.10590	62.1
576.11108	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	575.1046
Annotation	2,6-di-O-Galloylarbutin
Peak:m/z	Relative Intensity
65.00303	0.8
67.01903	0.8
69.03461	1.1
69.41944	1.1
69.42360	3.4
71.01383	1.6
72.99329	0.9
73.02968	0.7
75.61281	0.7
79.01866	1.0
82.68598	0.7
85.02965	1.4
87.00885	0.7
95.01398	2.1
97.02952	1.9
101.02448	2.0
107.01403	10.6
108.02180	2.3
109.02965	6.0
111.00870	2.7
112.67493	0.6
113.02484	0.8
123.00913	11.9
124.01684	2.2
125.02464	54.0
126.02802	0.7
133.58505	0.7
136.98836	1.5
137.02531	0.9
139.00406	4.2
140.01134	4.9
141.01984	1.1
151.00388	9.1
168.00696	5.0
169.01450	66.6
170.01753	2.1
173.12096	0.7
193.01555	0.9
223.02675	0.8
237.03938	0.9
253.03658	0.8
295.04706	0.9
313.05661	9.7
405.08176	0.8
423.09363	32.5
423.54279	0.7
424.09900	2.9
465.06738	5.2
575.10480	100.0
576.10657	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	575.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.2
58.91068	1.1
59.01393	1.2
61.98817	3.2
65.00328	2.0
67.25909	1.1
68.99809	2.0
69.11739	5.5
69.12158	4.1
71.01383	1.3
72.00398	1.0
81.22762	1.1
83.01398	14.0
84.10686	1.2
85.02954	1.7
92.07044	1.0
107.01420	4.5
109.02913	6.5
117.60770	1.3
123.04505	1.3
125.02456	51.9
126.02839	1.5
133.02960	3.9
137.02484	2.8
139.03996	1.9
145.03052	1.4
149.02454	3.7
149.98145	1.0
151.00394	16.7
153.01953	100.0
154.02328	1.7
161.02460	8.9
169.01491	5.5
170.01781	1.7
178.99898	4.6
193.03282	1.1
195.02943	2.6
213.20621	1.0
220.23241	1.2
255.03023	1.7
271.02509	5.1
283.02695	1.1
300.02777	6.3
300.39792	1.3
301.03336	1.5
307.21997	1.1
439.06879	2.0
531.11200	1.5
531.18677	7.2
557.16742	1.5
575.17456	7.3
575.26007	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	575.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.4
59.01094	1.8
59.01385	33.8
61.98816	1.5
69.03421	1.0
71.01369	1.4
71.26667	1.8
72.92627	0.9
83.01416	2.2
88.98804	2.4
89.02441	1.6
92.05066	3.5
96.95994	2.3
98.02462	1.9
105.03459	2.7
107.01404	2.1
109.02952	3.4
113.02395	0.9
121.02987	2.8
123.00901	2.3
123.04547	1.0
125.02465	53.8
136.04060	2.7
137.02457	5.9
139.03975	1.4
145.02989	1.1
149.02435	3.2
151.00403	5.0
151.04016	2.6
159.04486	1.2
161.02454	15.1
163.00420	2.8
164.19354	1.0
165.01955	5.4
167.03545	2.3
169.01459	9.3
174.05579	1.7
175.04094	1.4
177.01942	3.8
177.05544	2.9
179.03490	1.6
181.01494	2.3
183.04556	1.4
194.08217	1.6
201.01860	1.0
201.05583	1.9
205.05113	1.2
209.11810	3.1
218.04668	1.9
219.06628	1.8
225.05658	2.1
225.15016	3.0
227.03487	2.3
227.12906	22.8
228.13286	1.3
229.01376	1.3
229.04990	1.4
243.06746	1.2
253.04819	1.1
269.04565	15.8
269.13943	4.0
271.06168	1.5
276.08755	1.1
287.05850	7.7
287.15027	100.0
288.15381	5.0
289.07205	1.6
297.03925	1.6
303.05035	1.1
305.06708	9.8
315.05151	13.5
316.05435	2.0
325.43451	0.9
333.06229	24.2
334.06396	1.1
375.20291	2.5
383.00757	3.8
413.13629	4.9
437.18063	1.3
485.07294	1.6
575.11163	1.7
575.19965	5.6
576.20349	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
60.99313	15.4
61.98839	1.7
66.44759	1.1
68.96101	7.6
68.96523	5.3
78.95917	5.5
83.15124	1.2
84.09998	1.2
88.98815	100.0
97.84335	1.1
98.22627	2.2
115.06343	1.1
126.15121	1.3
141.21629	1.3
145.52271	1.3
148.91028	1.7
152.99612	5.5
169.85295	1.1
170.80380	1.2
171.90794	1.3
190.92072	1.4
209.11835	4.4
211.13388	4.2
212.79912	1.2
268.67871	1.1
363.12109	1.6
473.16537	1.4
489.13504	3.9
515.25629	1.2
518.29120	1.6
575.26477	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	576.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98512	4.6
61.98837	89.1
62.03541	2.3
68.98388	2.4
69.05265	2.1
96.96023	22.2
98.22733	2.5
124.01721	2.4
137.02458	14.3
163.00374	4.4
165.01924	4.2
173.02499	3.3
175.04057	6.0
191.03529	4.2
193.01459	10.2
201.01955	7.4
203.03584	6.7
208.00110	3.0
219.02969	3.7
229.01401	13.9
229.16188	2.5
231.02979	3.6
237.00450	9.0
245.00972	9.0
247.02522	4.2
257.00931	14.9
258.01648	3.6
273.00470	6.0
275.02014	64.7
276.02246	4.7
279.01511	4.9
300.99939	100.0
302.00357	7.8
333.02579	13.3
368.95419	3.5
396.95279	8.3
453.06821	12.7
481.06277	51.7
482.06686	6.3
513.08844	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43746	0.4
52.35710	0.4
59.11449	0.4
61.98837	100.0
69.07815	4.2
125.02480	2.8
151.00386	0.6
153.02002	2.0
167.03557	0.5
169.01466	1.9
207.42230	0.5
255.03035	0.6
267.85452	0.6
271.02548	1.1
299.40656	0.6
300.02740	3.1
315.05289	2.0
509.24609	0.5
519.11871	0.8
523.19788	0.5
582.86023	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	576.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19455	1.4
54.89600	1.5
55.53516	1.2
55.84754	1.7
61.98819	3.6
66.06210	1.4
68.12354	1.4
69.03226	4.8
69.03646	9.1
71.01382	1.9
78.95908	100.0
79.95753	2.7
80.96529	15.2
94.98084	4.1
96.96963	4.7
99.92584	16.1
109.82688	1.4
114.94947	9.5
114.95647	1.5
115.92092	15.1
116.92881	8.2
122.97633	1.8
137.99646	1.6
140.01193	4.1
141.11218	1.4
141.96027	14.1
150.98041	2.2
152.99600	54.6
158.16051	1.5
163.89731	1.8
164.98590	4.0
171.00609	2.1
178.88441	6.1
179.89206	22.2
180.90086	8.5
181.90828	1.8
196.89488	41.9
204.92305	1.6
205.90822	1.4
205.93170	4.7
223.94231	3.3
225.00748	2.1
235.91711	7.7
236.92688	2.9
252.92137	2.8
277.95251	3.8
279.23312	37.9
280.23706	2.7
281.24066	1.9
433.23621	4.6
459.11777	1.6
476.28009	3.1
499.15546	5.1
516.15601	8.0
540.18256	10.8
550.84320	1.7
558.19238	5.2
576.20215	25.4
577.20636	2.6
577.27338	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	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69707	1.4
61.98836	100.0
68.95682	16.3
70.43923	1.5
79.34941	1.7
82.53596	1.4
86.65170	1.6
103.08534	1.4
171.10306	2.7
179.39134	1.4
209.11858	2.1
378.37735	1.5
465.20935	1.5
577.26996	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	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.06932	1.2
69.07336	6.9
71.01398	1.6
76.42987	0.7
78.95911	3.6
78.98590	1.2
79.95724	3.0
80.96523	19.6
85.02977	1.4
87.00906	0.9
91.38071	0.7
94.98122	4.3
98.21788	1.5
98.80842	0.8
104.53387	0.8
106.98121	1.0
122.97546	1.1
125.02417	1.3
134.97557	1.6
137.67874	0.9
148.99083	1.9
152.98593	1.8
164.98628	3.2
170.34683	0.8
176.31383	0.8
189.84911	0.9
196.89468	1.0
225.00835	3.5
279.23080	1.3
301.65347	0.9
377.95898	0.8
397.23566	1.0
453.17426	0.9
577.26959	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.9
65.28110	2.0
70.76128	5.7
75.59540	2.6
76.97025	2.2
78.95915	23.7
99.18241	2.1
152.99561	3.5
160.11499	2.3
168.04338	3.4
169.72273	2.1
178.06378	2.1
224.06923	10.5
277.21750	100.0
278.22113	6.3
468.97449	2.5
502.29413	62.1
503.30023	6.5
599.40320	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	576.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17070	2.7
59.01377	12.7
60.08885	2.5
61.98846	3.3
71.24959	5.1
78.95911	6.7
95.99937	3.1
124.71135	2.8
141.12404	3.0
196.29088	2.9
264.90204	2.5
277.21759	100.0
278.22083	6.8
290.93460	2.9
502.29318	21.8
503.29471	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	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36685	0.6
60.32408	0.5
61.98837	16.5
62.71275	0.5
74.78748	0.6
78.95910	6.4
79.86981	0.6
88.16775	0.6
97.17971	0.6
127.38821	0.6
140.01262	1.7
171.10303	4.0
172.10626	1.3
196.03825	1.7
209.11852	5.9
210.12215	3.6
214.04878	3.7
229.17871	0.8
292.20041	0.8
309.20807	2.0
310.21112	2.3
330.21591	0.9
347.22089	1.0
347.25897	8.2
379.28555	100.0
380.28922	10.5
439.77454	0.6
558.35168	1.5
576.33075	8.5
577.33997	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	577.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71660	2.0
56.20917	2.2
59.01368	3.4
66.57944	2.0
66.93876	2.2
69.03453	2.6
69.29169	17.4
71.01387	2.8
73.02963	4.6
77.78919	2.0
99.92608	13.0
108.02167	3.0
109.02958	35.7
110.05070	1.9
116.92873	100.0
117.92825	3.0
125.02458	11.7
130.31709	2.0
137.02441	18.4
145.60490	2.2
152.46815	2.5
169.01395	6.1
181.01393	2.9
189.12863	2.4
234.91040	2.5
271.08276	3.8
275.95230	2.1
306.08002	2.3
415.17310	3.3
420.87845	2.3
505.20953	4.4
577.19373	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	577.1356
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
53.38478	0.7
55.48222	0.7
57.03458	14.1
61.50948	0.6
63.28925	0.7
81.03476	2.3
83.01401	3.9
91.01912	0.6
93.03455	1.9
95.01412	0.7
95.05041	2.0
96.44337	0.7
97.02957	3.2
99.04504	0.9
99.92542	0.6
108.02216	1.1
109.02962	15.9
121.02967	3.6
122.03750	1.1
123.04549	10.2
125.02461	100.0
126.02814	3.1
133.01454	0.7
133.02974	3.2
135.04530	1.6
137.02461	19.5
138.02953	0.7
139.04050	2.2
147.04558	1.0
149.02455	5.1
150.03241	1.2
151.04024	10.5
159.04517	2.1
160.05365	0.9
161.02458	22.4
161.06058	3.2
162.03149	1.9
163.00400	1.8
163.04037	3.3
164.01149	3.2
165.01961	3.9
167.03563	0.8
169.01500	1.9
173.06133	0.7
175.04044	6.6
177.01955	5.1
177.05724	1.1
179.03537	3.3
185.06094	0.9
187.04044	5.9
188.04764	2.8
199.07539	0.9
201.05638	0.8
202.06218	1.2
203.03542	1.7
203.07175	7.6
205.01382	1.9
205.05093	5.9
211.04132	1.2
217.05099	1.6
221.08179	1.9
225.05627	1.1
227.03535	1.5
227.07162	1.3
228.04288	0.9
229.05132	2.7
229.28337	0.7
230.05809	1.1
231.02972	0.9
241.05127	1.0
243.03049	1.5
243.06645	1.1
245.04524	3.3
245.08182	9.4
247.06102	1.3
253.05104	1.2
255.03062	5.5
256.03775	3.3
257.04495	1.5
269.04678	1.7
271.06219	0.9
273.04092	4.5
281.04596	2.7
283.02643	1.1
285.04086	1.4
287.05688	6.3
289.07193	55.3
290.07590	2.9
297.07938	0.8
299.05585	6.8
300.02713	1.0
329.06647	1.3
339.08847	2.7
381.09775	2.0
407.07739	41.3
408.08142	5.1
425.08804	13.6
426.09143	1.8
451.10385	8.5
518.05524	0.8
559.12866	1.0
577.13324	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	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.9
62.55119	0.8
69.03460	1.1
70.24813	0.9
78.31170	1.0
78.96712	0.8
81.03458	2.6
83.01405	3.0
93.03442	1.3
95.01357	1.5
95.05044	2.2
97.02984	3.4
98.21766	1.3
104.94124	1.0
108.02190	1.0
109.02956	19.6
110.03352	0.9
117.03452	0.9
121.02966	2.9
123.04530	11.6
125.02458	100.0
126.02790	2.5
131.05061	1.0
133.02971	3.9
135.04535	2.1
137.02449	20.8
139.04047	2.6
149.02379	4.7
150.03189	1.0
151.04022	12.2
159.04565	3.0
160.05247	1.4
161.02449	26.0
161.06107	3.8
162.03197	3.1
163.00406	1.8
163.04004	2.6
164.01175	3.9
165.01930	5.1
167.03503	2.1
172.05223	0.9
175.03992	7.9
177.01956	4.4
179.03484	5.9
187.04063	6.6
188.04787	2.8
199.04013	1.2
201.05606	2.4
202.06415	2.0
203.03374	1.1
203.07141	10.0
203.60098	1.0
205.01460	2.8
205.05081	5.7
211.04160	1.5
213.05621	1.3
214.02728	1.0
215.03455	1.4
217.05022	1.5
221.08194	1.6
227.03523	2.4
227.07086	1.2
229.05099	2.0
243.02997	2.4
245.04552	5.5
245.08171	11.8
255.02982	9.0
256.03867	4.4
257.04645	2.6
269.04514	2.1
273.04111	4.7
281.04645	2.7
283.02621	1.9
285.04288	2.2
287.05597	9.5
289.07208	73.7
290.07593	3.5
297.04178	1.5
297.07816	1.2
299.05692	8.0
329.06778	1.4
339.08621	4.5
381.09799	2.5
407.07721	63.9
408.08167	6.0
425.08755	19.7
426.08945	1.3
448.75235	0.9
451.10385	11.7
577.13629	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90142	1.0
57.03450	14.7
62.92114	1.1
71.83045	1.0
81.03471	1.7
83.01411	5.6
93.03439	1.7
95.05048	2.1
97.02956	4.1
105.31777	1.1
107.05048	1.8
109.02968	18.8
121.02940	4.1
123.04530	14.7
125.02460	100.0
126.02794	2.6
133.02954	3.4
135.04501	1.9
137.02458	22.1
139.03984	3.6
145.02959	1.3
148.15564	1.3
149.02481	5.6
151.04027	14.0
159.04549	3.9
161.02458	28.6
161.06070	5.7
162.03194	2.7
163.00328	1.5
163.04008	3.2
164.01138	4.2
165.01923	3.7
166.02533	1.2
167.60768	1.2
173.06097	1.5
175.04027	11.4
175.07788	1.3
176.01013	1.1
177.01947	6.6
179.03482	5.0
185.06158	1.2
187.03975	7.8
188.04755	3.9
189.05550	1.4
191.03580	1.1
199.04044	1.5
201.05591	1.6
202.06439	2.6
203.07111	9.0
205.01471	2.7
205.05038	7.7
211.03882	1.5
213.05617	1.2
215.03467	3.1
217.05067	1.3
221.08157	2.0
225.05640	1.2
227.03465	1.6
227.07167	1.3
228.04173	1.4
229.05096	3.3
243.02963	2.2
245.04506	4.8
245.08167	10.4
247.06027	1.7
253.05055	1.7
255.03038	11.3
256.03894	5.7
257.04422	1.7
269.04639	2.4
273.04016	3.1
281.04575	3.8
283.02621	2.6
285.04077	3.3
287.05612	5.7
289.07196	55.3
290.07492	3.7
297.04092	1.2
299.05740	6.3
329.06641	2.3
334.24503	1.1
339.08755	4.9
381.09854	2.1
407.07718	56.2
408.07806	5.4
425.08704	17.2
451.10400	10.0
452.11453	1.2
509.76950	1.2
519.42249	1.2
559.13312	1.1
577.13281	4.5
578.13727	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	15.4
61.40387	1.0
69.29787	4.6
69.30209	4.3
74.57452	1.2
81.03486	1.5
83.01395	5.3
93.03455	1.4
95.01385	1.3
95.05046	3.7
97.02969	4.3
99.12586	1.4
109.02965	20.5
121.02957	3.0
122.03773	1.5
123.04533	14.6
125.02464	100.0
126.02790	2.5
126.41245	1.5
131.05019	1.7
133.02992	6.2
135.04553	2.6
137.02463	22.2
139.04008	3.8
149.02454	5.0
151.04024	15.5
159.04543	3.2
160.05272	1.6
161.02461	30.4
161.06093	5.8
162.03139	2.2
163.00380	2.6
163.04008	2.2
164.01151	4.5
165.01952	4.2
167.03595	1.7
173.06181	1.6
175.03998	12.7
175.07669	2.0
176.14331	1.4
177.01906	6.7
177.05557	1.9
179.03540	4.2
187.04031	6.8
188.04767	2.4
193.05089	1.6
199.03972	2.0
201.05690	1.3
203.07149	8.9
205.01492	1.9
205.05119	7.6
213.05603	2.0
215.03664	1.4
217.05101	1.8
221.08142	1.8
227.03413	2.6
229.05086	2.9
231.03116	1.3
243.02994	3.8
245.04605	6.2
245.08228	13.1
247.06113	1.6
255.03076	10.5
256.03738	6.1
257.04617	2.3
269.04645	2.6
271.06351	1.6
273.04059	4.8
281.04459	2.7
283.02359	1.6
285.04028	3.4
287.05615	8.4
289.07214	66.6
290.07486	4.9
297.07626	2.2
299.05551	7.9
329.06805	1.4
339.08856	3.7
381.09830	3.9
407.07721	64.7
408.08249	6.5
425.08807	19.7
426.09674	1.7
451.10526	11.6
494.36807	1.7
577.13422	3.7
587.24860	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	577.1357
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.23659	1.1
57.03458	14.4
63.93718	1.1
69.03478	1.6
73.24374	1.2
81.03476	2.2
83.01379	5.0
90.94388	1.3
93.03474	2.9
95.05064	1.2
97.02954	5.1
107.05058	1.3
109.02971	22.0
109.14744	1.1
116.56953	1.1
121.02929	3.9
122.03731	1.5
123.04538	16.9
125.02460	100.0
126.02755	1.6
133.03006	5.6
135.04541	2.1
137.02470	20.3
139.04030	3.3
146.03735	1.2
147.04539	1.5
149.02464	5.7
151.04037	13.1
159.04524	4.7
160.05278	1.9
160.43205	1.4
161.02451	26.9
161.06078	6.1
162.03140	2.0
163.04022	4.2
164.01201	6.0
165.01894	3.0
167.03540	2.2
175.04018	11.8
175.07610	2.4
177.01973	6.8
179.03477	4.0
187.03957	8.3
188.04758	4.3
189.05533	2.0
196.12154	1.2
201.05507	2.1
203.03503	1.9
203.07166	10.6
205.01389	1.5
205.05051	7.7
213.05597	2.8
217.04921	1.5
221.08162	2.6
227.03462	2.4
227.07091	2.0
229.05087	3.7
231.03102	1.5
243.02954	3.1
245.04547	5.4
245.08199	10.6
247.06023	1.7
253.05064	1.4
255.02988	9.3
256.03726	5.5
257.04630	1.8
269.04639	2.1
273.03912	3.0
281.04468	3.8
283.02444	1.6
285.04156	2.7
287.05670	8.8
289.07205	70.6
290.07477	4.3
297.07690	1.5
299.05679	7.3
329.06784	1.3
331.08301	1.7
339.08762	3.0
381.09726	1.7
407.07736	67.8
408.08096	5.1
425.08859	18.4
426.09152	2.5
439.95074	1.4
451.10373	13.9
577.13770	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	577.136
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
57.03454	12.5
57.77514	0.9
58.00592	0.7
59.01380	1.1
61.98807	1.7
71.12669	1.8
81.03473	3.2
83.01401	5.2
87.00891	1.5
88.74845	0.7
88.98809	5.0
93.03487	2.1
95.01408	1.6
95.05087	1.8
97.02969	4.1
107.05041	2.0
108.02171	1.4
108.90189	1.0
109.02972	20.5
111.00890	3.4
114.50120	0.8
117.03492	0.9
121.02963	3.1
122.03784	1.1
123.04529	15.1
124.01662	0.9
125.02461	100.0
126.02823	1.7
126.03693	0.9
126.94421	0.9
133.03001	4.1
135.04559	3.3
137.02460	20.9
139.03996	4.3
145.02959	1.3
146.03696	1.3
147.04599	1.1
149.02469	5.3
150.03271	1.2
151.04022	13.2
159.04550	3.2
161.02473	26.9
161.06088	4.7
162.03143	2.6
163.00385	2.3
163.04117	2.2
164.01176	4.8
164.19371	1.0
165.01965	4.3
175.04028	8.9
175.07602	1.5
177.01971	6.8
177.05623	1.2
178.02687	1.0
179.03500	4.8
185.06146	1.2
187.04036	7.2
188.04787	3.4
189.05255	1.0
191.01990	4.8
193.05132	1.2
199.03917	1.0
201.05595	1.3
202.06314	1.0
203.03629	2.5
203.07152	9.1
205.01485	1.3
205.05063	9.3
211.03935	1.0
212.04973	1.0
213.05594	1.4
215.03616	1.6
217.05101	1.3
221.08258	1.8
227.03438	1.3
227.07069	1.7
228.04260	1.7
229.05070	3.5
230.05786	1.1
231.03091	0.9
243.03036	3.3
245.04565	5.0
245.08226	12.9
247.06117	1.6
253.05077	1.1
255.03032	8.9
256.03705	6.5
257.04568	2.6
269.04565	1.6
270.85736	1.0
273.04181	4.3
281.04651	3.6
283.02731	1.9
285.04120	2.6
287.05673	8.5
289.07208	66.2
290.07587	4.5
297.04016	2.2
299.05597	5.7
329.06970	2.3
339.08862	4.7
381.09903	3.0
400.78873	0.8
407.07718	58.8
408.08044	6.1
425.08871	17.4
426.09003	1.6
451.10437	11.8
459.08994	0.9
577.13867	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	577.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.0
59.01377	4.3
61.98824	16.3
64.73866	3.6
69.80226	3.8
72.99309	7.8
81.02496	3.8
85.02962	56.0
89.02422	4.3
94.54520	3.3
96.96025	18.1
109.02950	7.1
115.07678	8.8
123.04517	3.9
125.02448	48.7
129.05635	4.1
135.04541	7.3
137.02458	9.6
143.07100	4.0
147.02994	8.8
151.03995	12.1
161.02454	11.5
169.01369	4.2
175.03995	9.8
187.03946	5.1
191.01984	15.1
205.07155	17.5
209.03049	100.0
224.79945	3.9
229.25745	5.1
255.02914	4.5
289.07150	30.1
371.06070	6.3
375.18610	3.9
396.95288	5.8
398.96518	5.8
407.07840	39.7
408.08038	5.4
419.32684	3.7
438.02505	3.7
451.10007	4.0
479.04510	5.3
530.23767	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	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	25.1
71.01391	8.4
71.26898	4.0
74.24507	2.6
78.95911	68.7
78.96346	4.6
78.98597	7.1
79.17596	2.6
79.95754	11.5
80.96524	84.7
85.02976	3.6
87.00899	4.0
94.98103	22.2
95.72545	2.3
99.92606	7.2
101.02474	4.2
105.89909	2.3
106.98129	3.1
114.94973	2.6
115.92085	5.5
116.92104	2.5
119.65968	2.4
122.97604	4.8
125.02491	4.1
130.56435	2.9
134.97623	5.5
136.99155	2.9
140.01233	3.6
141.96153	3.4
148.99197	6.8
149.22786	2.8
152.98628	5.8
152.99644	27.4
164.98714	9.2
173.20102	2.5
175.62622	2.5
178.88443	2.8
179.89267	8.8
180.89188	3.3
196.03819	3.2
196.89471	14.8
197.89658	5.3
206.99832	2.5
214.04890	3.9
225.00674	17.2
279.23315	85.8
280.23715	8.7
299.04514	3.8
476.27835	16.5
516.77234	2.9
541.19098	6.2
559.19666	5.7
577.27197	100.0
578.27411	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	577.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.9
59.01361	1.1
60.58127	0.6
61.98827	4.8
67.01888	1.4
69.03092	1.0
69.03461	19.4
70.79800	1.2
71.01388	14.3
78.95924	1.1
83.01376	1.8
83.05026	4.8
95.01430	0.7
95.05037	6.9
97.02964	5.8
97.06583	2.6
106.87738	0.6
107.05083	0.8
109.06590	1.0
109.42043	0.6
113.09715	0.9
119.04980	0.8
121.06579	1.3
122.03715	1.4
123.04478	1.1
123.08202	0.9
125.02461	7.6
125.06088	1.1
137.06027	1.0
141.09216	1.5
169.01463	4.4
175.21803	0.6
189.16508	0.7
265.21777	1.3
315.23346	1.3
329.24963	0.9
331.26462	5.0
333.24368	2.3
341.24985	1.4
349.27423	0.8
355.26440	3.6
359.25714	0.7
373.27432	8.2
374.28055	0.8
375.25388	2.5
383.26071	0.9
391.25003	1.2
399.28986	2.4
401.27060	3.4
409.27585	1.3
417.26630	2.7
443.28186	1.0
445.29776	1.2
468.51266	0.7
533.31354	1.0
559.32751	3.2
577.33844	100.0
578.34204	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	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.8
61.02822	1.6
68.99261	13.2
73.66662	1.2
75.95451	1.3
78.95906	6.7
78.96368	1.3
80.26624	1.3
96.81709	1.5
147.13994	1.6
162.13327	1.6
168.04311	1.5
178.03455	1.7
241.54039	1.4
242.07991	2.6
250.49959	1.6
279.23331	100.0
280.23630	7.1
285.30078	1.8
368.93896	1.6
384.50208	1.7
390.75336	1.6
466.91388	1.8
504.30988	27.8
565.45209	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	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	19.7
66.29330	3.1
71.27510	5.7
78.95918	23.3
90.52182	3.6
107.47501	3.4
124.01402	3.7
128.95859	3.5
152.04253	3.5
152.99506	5.4
167.28557	3.2
224.06906	7.7
279.23349	100.0
279.82718	3.6
280.23593	6.7
297.58630	3.4
305.06659	3.4
341.39801	3.6
387.80420	3.6
504.30994	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06198	1.2
52.31677	1.1
57.03439	4.7
59.01370	1.6
69.03464	3.1
69.28374	2.8
69.28781	6.9
83.01389	5.1
88.98802	3.3
89.23339	1.2
97.02951	2.6
98.21838	2.6
109.02952	3.3
115.07836	1.3
115.91811	1.2
123.00912	2.3
124.01672	3.8
125.02457	82.2
126.02734	3.2
129.61168	1.2
137.02452	53.8
138.02800	2.3
139.03983	2.8
143.05037	2.2
145.03015	1.4
155.05011	2.7
161.02435	1.7
165.01926	1.3
167.03535	3.2
169.01442	100.0
170.01801	2.9
171.04486	6.0
175.03951	2.7
178.05460	1.4
183.04543	3.6
189.05577	1.8
193.01457	2.2
198.03299	2.1
199.04025	27.9
203.03485	2.9
209.06009	1.3
211.04030	5.7
217.05083	3.7
225.05630	1.8
227.03520	92.2
228.03900	4.7
235.04018	5.6
236.04488	1.5
239.03632	6.7
245.04677	8.0
246.04788	1.4
251.03587	1.6
251.07167	2.1
255.06694	1.6
257.04688	2.0
271.02365	7.9
279.06656	4.3
281.04507	2.7
289.03598	2.7
305.04636	1.8
321.07425	1.4
329.16760	1.3
335.05591	2.3
337.07245	6.3
347.05667	3.4
365.06659	19.9
366.07062	1.4
383.07739	14.8
397.05728	2.9
427.06653	3.4
475.08673	1.5
535.08716	5.3
579.07697	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	579.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13225	3.6
59.01385	38.2
60.99315	18.8
61.98829	10.9
69.23672	14.8
69.24095	11.5
71.01392	12.0
77.60818	3.8
85.02964	4.8
88.98812	100.0
98.21989	14.6
99.00886	5.7
99.04564	4.7
101.02479	6.2
107.01419	4.4
113.02435	5.9
125.02441	16.3
129.20631	3.7
139.00360	3.5
140.77359	3.2
151.00406	7.9
156.99112	11.0
158.83656	3.6
159.10341	3.8
169.01447	22.3
170.99825	3.5
178.99840	3.8
198.99405	3.6
215.33263	4.1
243.02983	5.6
255.03029	11.8
271.02466	28.1
300.02753	60.2
301.00256	6.4
301.03445	32.8
301.10800	3.8
313.05673	9.6
361.13666	4.2
489.10403	78.1
490.10754	8.8
519.17273	10.7
579.20862	4.2
579.30176	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	579.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
57.07343	0.6
59.01362	2.2
59.12594	0.8
61.98837	5.4
71.01379	1.9
85.02920	1.0
101.02444	1.1
107.01462	0.8
107.09667	0.8
107.75949	0.7
123.00867	1.4
125.02510	3.6
139.00342	0.9
160.01802	0.9
167.03532	0.8
168.00609	1.1
169.01465	5.6
188.98380	1.6
216.00575	0.9
216.97739	0.9
231.03165	0.9
241.98528	2.1
244.00206	1.0
244.97343	1.8
272.96793	7.2
297.97607	3.1
300.96249	13.4
300.99652	1.1
301.97015	2.3
310.01242	4.7
312.99799	4.0
313.05649	1.1
314.97827	2.9
315.98547	3.1
326.97726	1.3
327.01443	0.9
327.98615	1.1
328.95767	32.3
329.96524	11.2
330.00134	1.8
340.99374	7.6
341.99994	1.4
342.97287	1.3
343.01035	1.7
343.98099	61.8
344.98831	28.5
345.01947	0.7
345.99380	2.2
357.99585	2.9
359.00461	37.2
360.01114	9.6
361.01868	1.1
373.02109	2.8
374.02814	6.7
375.03583	19.6
376.03839	0.9
417.15402	1.2
435.12778	0.9
477.13901	1.6
517.16791	1.1
549.05432	6.6
564.07678	15.5
565.08044	1.7
579.09912	100.0
580.10333	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	579.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	13.3
70.96301	6.7
88.98813	10.4
96.95992	5.5
109.02961	14.2
114.93413	13.7
123.04505	9.0
125.02469	100.0
126.02799	20.7
127.02979	9.0
133.08299	5.7
137.02444	18.9
139.00438	7.1
146.84529	5.7
151.04015	8.0
161.02454	10.7
162.02884	5.1
169.01440	73.4
170.01654	5.4
175.04027	6.0
179.03584	5.8
187.04015	9.5
203.07144	8.5
206.05508	6.7
245.07974	9.5
289.07257	38.5
290.07541	24.6
291.07651	17.4
407.07874	7.9
408.07886	13.0
409.08398	23.7
441.08243	19.2
490.13654	7.5
533.50659	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	579.188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	2.0
67.01884	1.6
68.99821	19.0
71.01373	0.8
76.57323	0.7
81.03458	1.2
83.01394	1.1
93.03482	0.8
95.01373	1.3
107.01377	1.2
108.02182	30.7
109.02966	4.1
111.00861	1.4
117.03442	1.6
119.05032	0.9
121.02958	2.2
122.03714	3.2
123.00901	10.8
123.04537	40.4
125.02467	6.2
127.92436	0.8
132.02180	4.5
133.02930	1.9
135.00917	1.2
137.02469	0.8
138.03244	25.8
145.02939	3.2
147.04500	1.7
148.01682	1.1
149.02492	1.0
150.03246	12.4
151.00409	1.9
151.01689	0.8
153.05569	1.2
160.01599	1.7
161.02461	9.0
162.03242	25.4
163.04033	12.0
164.04289	0.8
165.05585	1.4
167.02150	1.6
167.03510	23.5
168.03766	0.9
169.01474	6.1
175.04041	7.6
176.04704	1.4
177.05585	35.5
178.02725	35.8
178.05916	1.3
179.03349	3.5
181.04959	0.8
185.06354	0.7
190.06364	2.8
191.03532	4.2
193.05080	100.0
194.05496	3.6
197.43576	0.8
207.10063	0.8
208.03729	1.2
209.04506	1.7
211.02563	0.8
218.05849	15.4
222.05243	3.3
229.24432	0.8
231.06598	1.5
237.05501	0.9
237.21814	0.9
238.06310	1.8
241.05037	1.6
249.41737	0.9
253.04874	0.9
254.05713	1.1
265.04883	1.5
266.05743	5.5
271.04733	1.3
277.05072	1.6
278.05890	6.2
279.06671	1.8
281.04489	1.0
281.08130	3.1
282.05383	2.6
292.07346	1.3
294.05280	2.4
295.05945	1.0
297.07773	1.9
306.05353	7.8
307.06067	6.1
309.04187	1.1
309.07700	1.8
310.04791	3.0
313.05722	6.4
320.06863	3.0
321.07687	20.8
322.04782	2.5
322.08328	4.4
324.06314	2.2
325.07181	15.3
335.09073	1.5
336.10052	8.9
337.07214	15.8
337.10849	1.9
338.07581	1.4
338.11691	0.9
339.08734	6.0
340.09592	12.0
341.09933	1.1
351.08725	1.0
352.09476	4.2
353.10043	1.0
354.11002	12.0
355.11896	28.9
355.16281	1.8
356.11960	1.9
367.11874	32.9
368.12045	3.1
384.12402	1.0
519.16400	2.6
531.16742	1.8
535.21844	1.1
549.17725	3.2
579.18658	33.1
580.19177	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	579.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	2.0
59.01385	100.0
63.70499	1.2
71.01392	42.6
71.26631	1.6
72.99307	3.4
73.02934	1.6
78.82511	1.4
81.13264	1.3
83.01405	1.6
85.02964	5.7
87.00883	3.6
88.98820	2.1
89.02451	61.9
90.64606	1.3
95.01411	2.1
96.96033	5.2
101.02447	21.2
109.02934	2.0
109.37852	1.4
113.02458	18.7
119.03519	24.8
123.04563	2.2
125.02459	12.5
131.03510	2.4
137.02454	3.6
142.30324	1.5
143.03491	6.1
149.04593	2.5
161.04567	12.7
162.55199	1.4
163.04097	2.4
169.01489	6.8
170.01770	2.0
178.06369	2.5
179.05626	91.9
180.05984	2.8
193.08739	3.4
215.02982	1.5
219.03033	1.6
227.03145	1.5
255.02969	3.3
271.04626	1.5
283.02527	9.0
285.04007	12.6
286.04300	2.0
289.07269	4.3
329.06665	2.8
408.07950	3.3
409.08020	3.5
446.08817	1.7
447.09326	3.0
545.43512	1.4
579.13452	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	579.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00048	0.5
55.01885	2.7
56.28772	0.5
57.03450	3.9
58.00596	2.8
59.01384	42.5
63.41717	0.4
69.67266	2.5
71.01387	53.7
72.01710	0.6
72.99323	3.5
73.02951	9.1
75.00878	1.1
83.01385	4.5
85.02956	19.6
87.00881	2.3
87.04522	0.7
89.02451	26.1
95.01407	5.1
97.02957	1.1
99.00883	5.0
101.02453	30.4
108.27161	0.5
111.00885	1.2
113.02459	19.8
114.02846	0.7
119.03508	12.2
123.00919	0.5
125.02460	3.2
128.03554	1.4
129.01947	2.1
131.03566	1.3
139.04071	0.6
143.03546	2.7
143.04564	0.9
146.62798	0.5
149.04593	1.3
159.03006	2.5
161.04565	13.2
162.88870	0.5
166.02733	1.0
169.01442	2.6
179.05612	3.6
181.05096	0.8
209.11824	2.0
211.13231	0.6
223.38771	0.5
231.76872	0.6
251.05675	0.9
255.19710	0.7
306.07788	2.1
316.35556	0.5
360.04712	0.6
397.13281	0.6
399.23792	0.7
417.15674	1.9
417.24945	32.6
418.25345	2.4
461.58850	0.6
497.16754	1.2
542.64655	0.5
579.30249	100.0
580.30566	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	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71932	0.3
61.98835	100.0
69.09795	2.8
69.12715	0.2
78.95927	1.0
198.07100	0.3
257.12933	0.3
277.21756	2.2
278.22165	1.0
443.69174	0.3
451.32413	0.3
502.29541	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	580.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.6
60.11439	4.3
61.98841	23.6
67.86504	4.2
67.91743	5.0
69.88641	10.6
69.89021	15.9
71.01373	10.3
71.75645	4.2
73.42536	4.5
96.86140	4.2
102.51128	4.5
109.03004	6.5
123.04546	6.1
125.02453	7.3
137.02454	5.2
140.68990	4.5
148.05318	8.4
150.03239	10.7
151.00374	10.4
154.76787	5.7
165.05626	8.0
167.03499	35.2
169.01401	14.6
181.61366	5.5
205.96994	5.6
217.01398	4.6
233.11804	9.2
243.03059	9.0
255.02950	24.2
262.91846	4.5
269.13879	9.1
271.02454	63.4
272.02866	7.9
273.00677	7.1
274.00851	10.6
300.02768	100.0
301.03400	15.4
312.12430	19.6
413.18231	8.8
517.09827	81.3
518.10510	9.0
530.12079	5.3
536.14551	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	580.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87639	4.3
57.99041	3.7
58.13852	3.7
61.98832	15.3
69.64569	22.5
71.04513	4.8
98.22475	5.2
151.00436	5.0
154.56520	4.7
243.03050	7.0
255.02946	22.5
260.83423	5.0
271.02499	43.9
300.02750	100.0
301.03424	18.3
410.39105	4.5
517.09894	78.1
518.10303	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	580.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.99300	16.1
61.98838	36.6
67.12801	5.1
71.27659	4.4
76.33871	4.4
81.35265	4.6
88.98806	82.6
89.02465	9.5
93.03469	40.5
101.14539	4.8
117.24579	5.8
125.02474	21.1
127.11426	4.3
135.04527	30.0
137.02449	76.1
147.04558	5.9
148.05295	40.0
150.03204	9.3
161.02570	7.9
165.05635	5.4
167.03574	5.8
168.00751	6.7
169.01450	15.0
178.05078	21.7
190.05037	5.4
221.15630	5.6
233.87148	4.8
271.02518	16.0
297.10004	5.8
298.10840	39.5
300.02704	16.5
312.12457	85.9
313.05658	17.2
313.12894	7.3
314.05978	13.9
373.66821	5.3
434.12936	5.3
465.72760	5.4
580.08350	6.5
580.20959	7.5
581.13007	14.7
581.22034	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	580.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.0
71.19398	1.3
78.95918	4.0
92.78920	0.7
168.04327	1.5
224.06953	1.4
242.07936	2.6
281.24890	100.0
282.25269	9.7
320.77029	0.8
506.32596	27.9
507.32852	3.6
580.28687	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	581.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
59.74360	0.3
60.12959	0.3
68.34224	0.3
70.53477	0.3
71.27722	0.4
71.28094	0.4
74.00450	0.3
79.95748	2.6
96.96019	100.0
104.29816	0.3
104.74991	0.3
118.69332	0.3
125.02449	3.2
169.01431	5.5
224.97324	0.3
227.09976	0.3
245.26416	0.3
313.05728	1.5
376.98373	0.3
483.07852	4.1
503.41937	0.3
521.02484	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	581.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29318	0.2
62.07854	0.2
68.99231	0.2
71.84599	0.2
79.95747	3.1
82.16445	0.2
96.96018	100.0
123.00862	0.3
125.02461	1.7
140.63564	0.2
168.00613	0.4
169.01456	2.0
193.01457	0.4
211.02525	1.0
224.97223	0.4
266.98248	0.4
271.04684	1.2
283.93729	0.2
331.06482	0.3
439.08710	0.8
483.07825	3.4
484.07852	0.4
521.02612	2.0
599.06970	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	581.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12197	3.9
71.27345	4.2
71.27708	4.2
88.98808	10.3
125.02438	21.4
138.18661	3.6
148.01759	3.9
149.70917	4.6
151.00389	9.2
151.04024	4.3
151.06850	3.6
156.74998	3.1
163.00493	4.2
169.01428	15.9
186.07205	3.9
191.31473	3.3
214.02722	10.2
223.33678	3.9
243.03157	4.8
270.01660	5.5
271.02484	37.1
287.02069	19.4
288.02255	5.2
316.02243	95.4
317.02921	17.8
491.08371	100.0
492.08755	6.3
541.08215	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01373	5.9
60.99310	5.2
71.01404	6.0
72.99322	1.6
85.02967	3.5
88.98815	27.1
89.02463	3.2
93.03471	2.6
95.01386	1.4
95.07139	1.1
96.96049	1.6
101.02448	6.1
107.01390	3.0
109.02952	2.1
113.02459	3.0
114.16365	1.3
119.03506	1.7
121.02962	6.6
122.03754	6.9
123.00886	5.0
123.04603	1.5
125.02465	32.6
126.02763	1.5
133.02980	3.6
134.03720	1.6
135.04501	2.0
137.02542	2.3
138.03276	1.9
139.04031	3.0
149.02448	35.8
150.03250	34.1
151.00381	4.3
151.03967	4.1
152.01154	4.9
153.05580	1.7
161.02513	2.2
161.04616	1.4
163.04074	6.0
164.04800	23.5
165.01949	2.8
165.05583	41.2
167.03450	1.7
169.01454	34.9
169.05019	2.6
170.01746	1.5
175.03986	2.7
177.01955	30.6
177.05511	2.5
179.03474	1.4
179.07166	5.3
180.04265	3.0
180.88651	1.2
193.01436	13.2
193.05090	1.7
195.06641	35.4
196.06903	1.6
197.89017	1.3
201.24481	1.5
208.03792	32.0
211.02487	2.1
219.03000	1.3
223.06140	100.0
224.06483	4.7
301.00049	2.2
302.21631	1.2
303.05368	1.5
312.10049	1.7
313.05655	22.0
314.06360	1.5
371.11462	7.9
373.12512	1.5
419.13052	14.8
419.18045	3.0
420.13834	1.6
491.08344	47.6
492.08859	4.5
581.11798	8.8
581.22247	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	581.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
60.99313	16.5
61.98824	0.9
68.99989	2.5
69.00413	3.8
82.33193	0.7
88.98815	100.0
89.02449	0.7
101.56891	0.7
125.02464	3.1
134.03740	1.4
137.02475	1.0
149.06136	0.8
149.18681	0.7
160.01694	0.7
165.01956	2.1
169.01439	3.4
177.36386	0.8
178.02740	0.7
180.04269	1.2
193.05067	3.4
195.06651	2.5
204.98987	0.7
260.81476	0.8
263.93649	0.9
309.46912	0.7
313.71509	0.7
329.06702	1.2
332.00000	1.3
359.11505	1.3
373.13025	1.0
419.17319	4.6
420.17242	0.8
495.05560	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	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
61.63152	1.2
69.01704	9.7
71.01385	1.4
75.39068	1.0
76.42547	1.0
85.32438	1.0
88.98815	2.3
89.04008	1.0
96.95936	1.3
109.02960	1.3
117.03567	1.2
121.02940	2.9
123.00874	1.4
125.02460	10.0
134.02731	2.7
134.03754	47.3
135.04538	1.6
136.01585	1.2
137.02457	14.7
139.00404	1.4
139.04037	3.4
149.06108	15.9
150.03270	2.0
165.01945	41.2
169.01456	8.7
170.45827	1.3
175.04117	2.2
177.01944	6.7
178.02733	29.4
179.03542	10.2
180.04300	28.2
193.05077	100.0
194.05559	5.1
195.02942	1.9
195.06635	33.0
209.06094	2.8
210.05296	6.6
223.06079	2.7
225.07703	37.8
226.08040	1.7
265.05051	1.6
269.08133	1.3
297.07758	6.4
312.09970	4.0
313.05774	1.6
327.08850	1.8
344.08896	1.3
358.10629	2.0
359.11203	4.6
371.11371	29.3
372.11819	1.8
373.12988	4.8
389.12558	1.3
404.14917	3.4
419.13263	8.3
419.17224	10.5
451.97116	1.2
491.08417	2.2
581.11670	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	581.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01387	9.4
60.99307	4.4
71.01385	11.4
71.26852	1.9
83.01398	2.3
85.02953	4.1
87.00867	1.5
88.98808	19.7
89.02474	5.7
93.03488	2.7
95.01404	2.5
96.96029	3.4
99.00903	1.2
101.02448	6.0
107.01379	2.6
109.02934	1.5
110.00153	1.1
111.00923	1.2
113.02473	3.8
119.03512	4.9
119.76507	1.2
121.02970	7.7
122.03764	5.3
123.00914	6.1
123.04546	2.0
124.01691	2.4
125.02458	29.8
133.02974	2.3
134.03766	2.0
135.04568	2.3
137.02477	2.0
138.03235	4.1
139.00365	2.3
139.03995	2.1
143.03525	1.9
146.81560	1.2
147.04527	1.3
149.02467	28.6
150.03247	37.9
151.00429	3.4
151.03984	4.8
152.01210	3.7
153.05612	5.5
158.19591	1.3
159.04585	1.4
160.01683	1.5
161.02472	4.2
163.03972	6.1
164.04796	18.8
165.01965	3.2
165.05598	42.1
167.03490	1.5
168.00711	1.4
169.01447	31.3
169.05078	3.4
174.85294	1.2
175.03993	3.0
177.01930	23.1
177.05576	2.5
179.07124	7.2
180.04276	3.3
183.67812	1.6
193.01418	14.6
193.05081	3.4
195.06654	38.1
200.77396	1.3
203.07265	1.5
208.03789	30.3
209.04323	1.7
211.02516	2.3
223.06131	100.0
224.06471	5.0
233.08195	1.8
245.04539	1.6
271.04559	1.7
287.05688	1.7
300.99838	2.5
313.05688	15.2
325.07434	1.6
340.09418	1.7
346.62759	1.2
358.10754	2.4
359.11462	3.8
371.11295	11.8
373.12866	7.0
389.12341	2.5
401.16190	2.0
404.14917	3.9
419.12534	14.6
419.17484	10.0
491.08270	26.9
492.08694	4.2
581.12604	5.8
581.22467	41.6
582.22974	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	581.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.6
62.05497	0.8
70.77828	1.3
89.81400	0.7
93.03480	4.4
117.03513	1.0
119.05036	3.7
121.02985	5.8
122.03755	16.2
123.00925	1.6
124.01693	1.2
125.02470	8.0
133.02983	1.6
136.01646	2.3
137.02452	2.0
137.29907	1.0
140.01317	1.0
145.02992	2.7
147.04550	2.9
147.29678	0.8
149.02457	27.0
150.03246	98.5
151.00302	1.1
151.03802	3.0
161.02452	1.0
162.03239	0.9
163.04042	4.5
164.04869	4.6
164.05978	0.9
164.57610	0.7
165.05588	100.0
166.05972	2.8
168.00670	2.0
168.29109	0.8
169.01439	12.9
175.04031	17.7
175.78343	0.8
176.04855	1.5
177.05594	2.3
180.04315	7.1
180.41293	0.9
181.05118	1.2
188.04895	1.0
189.05588	1.0
190.06421	6.2
195.06650	46.7
195.60110	0.7
196.06996	1.3
210.06848	1.7
211.67889	0.8
218.05847	6.8
222.05312	7.3
222.06947	0.9
241.05138	1.4
250.06490	1.2
253.05199	1.3
254.05919	1.2
255.03052	1.5
265.05057	1.6
266.05652	4.2
267.02982	1.4
270.99188	1.2
271.02548	0.9
277.05173	1.1
278.06015	5.0
279.06705	3.0
281.04645	2.8
281.08121	1.8
282.05481	1.4
283.02594	1.3
294.05505	1.6
295.06476	0.9
295.09631	3.9
297.07590	2.0
299.05780	1.2
299.99213	3.4
300.02487	1.1
305.04669	1.0
306.05402	6.3
307.06128	5.9
308.06900	0.9
309.04141	4.3
309.07745	2.7
310.04834	2.7
311.05618	1.0
315.01465	2.0
320.07031	2.5
321.07733	15.1
322.04800	2.2
322.08429	4.0
323.05762	1.5
323.09268	7.5
324.06470	6.0
324.10065	3.8
325.07144	13.6
325.10611	1.4
326.07782	2.6
335.09424	1.8
336.09943	6.6
337.07220	13.9
337.10919	2.5
338.08057	1.0
339.08768	12.0
339.12436	1.4
340.09464	9.8
341.10361	2.4
351.08679	1.9
352.09616	4.4
353.10458	2.3
354.11145	10.3
355.11877	29.8
356.12466	2.0
367.11920	45.7
368.12262	2.5
408.75714	0.9
441.24030	0.9
445.13141	0.9
459.14755	1.2
473.12500	3.3
488.14841	2.2
489.15659	1.0
503.17224	19.9
504.17685	2.6
515.16998	2.3
533.18335	23.3
534.18463	2.4
551.19330	16.8
552.19391	2.9
581.11963	2.0
581.20544	26.3
582.20911	3.9
585.66028	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	581.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06918	0.9
58.81902	0.9
61.98835	3.3
69.10362	8.8
88.98838	1.1
93.03486	4.9
95.01298	1.1
117.03481	1.0
119.05033	3.5
121.02944	6.0
122.03764	13.8
124.01713	1.7
125.02471	6.5
133.02948	1.8
136.01715	1.8
137.02437	1.9
145.02969	2.2
147.04585	2.4
149.02463	24.5
150.03241	99.4
151.03761	3.3
163.04051	2.6
164.04787	4.1
165.05588	100.0
166.05928	3.3
168.00670	1.4
169.01450	8.2
174.70497	1.0
175.04036	17.3
177.05763	2.1
179.07002	1.0
180.04309	6.9
188.04758	1.6
190.06282	5.5
195.06641	44.8
196.07019	1.4
210.06876	1.2
218.05948	5.8
219.06552	1.0
222.05283	8.2
238.06207	1.6
253.05109	2.1
255.03043	1.8
257.04764	1.0
265.05075	1.5
266.05792	3.7
278.05865	5.2
279.06451	2.3
281.04697	1.8
281.08145	2.3
282.05460	2.1
283.02539	1.6
293.08075	1.3
294.05209	2.1
295.09677	1.6
297.07779	2.1
299.99039	2.7
300.02249	1.1
306.05283	5.6
307.06183	4.7
309.04190	2.5
309.07568	2.4
310.04813	3.2
315.01370	1.8
321.07687	14.8
322.04825	1.9
322.08429	4.9
323.09274	6.4
324.06332	6.6
324.10010	3.5
325.07233	13.7
326.07837	2.2
335.09250	1.7
336.10083	7.1
337.07187	11.9
337.10910	3.8
339.08795	11.4
339.12463	1.9
340.09509	9.2
341.10168	2.3
351.08752	1.5
352.09457	3.8
354.11026	9.4
355.11893	24.6
356.12271	2.7
367.11893	42.1
368.12250	2.8
473.12430	1.7
488.14740	1.3
489.15686	1.6
503.17114	24.3
503.29236	1.0
504.17648	2.3
515.17169	1.4
527.25177	1.2
533.18225	24.4
534.18475	3.6
551.19135	15.0
552.19434	2.4
581.11823	2.2
581.20337	23.0
582.21094	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	581.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40212	1.9
52.13947	2.0
61.98825	3.6
67.92042	2.3
70.55508	2.8
70.55853	4.7
79.62533	2.2
80.31815	2.0
85.98287	1.9
88.98821	5.4
93.03459	3.8
110.38309	1.8
119.05026	2.3
121.02964	4.9
122.03767	13.3
125.02477	5.8
135.26625	2.1
140.54388	2.0
145.02960	4.3
147.04503	2.4
149.02452	19.2
150.03241	92.9
161.38887	2.1
162.03128	1.9
164.04829	3.1
165.05589	100.0
166.05972	3.2
169.01418	3.8
175.04013	9.4
177.05659	2.3
180.04274	7.8
190.06419	3.2
193.04974	2.7
195.06648	53.9
218.05856	7.6
222.05328	6.5
241.80048	2.1
271.02423	2.6
278.05856	5.5
281.08401	2.3
294.05383	2.4
299.02014	2.5
299.05652	2.0
300.02640	2.3
306.05515	3.2
309.04208	3.3
310.04944	4.3
321.07666	14.1
322.08316	3.1
324.06500	3.7
325.07117	12.9
335.09393	3.0
336.10165	9.4
337.07245	12.6
337.10739	4.2
339.08795	4.2
340.09430	7.4
352.09702	5.3
354.10989	4.8
355.11951	33.7
356.12570	2.4
367.11920	38.2
368.12347	3.4
375.16522	3.4
518.89264	2.6
533.18152	2.6
551.19147	5.6
581.20502	18.1
582.21667	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
67.01885	2.3
69.03441	1.9
71.01389	4.9
71.26730	1.8
71.27113	2.1
85.02985	2.6
88.98810	2.3
89.02446	2.4
95.01412	1.7
99.92599	5.6
101.02443	3.1
107.01412	6.9
112.71424	1.7
116.92873	44.6
117.92879	2.5
122.03738	18.8
123.00878	11.8
125.02461	44.4
125.03345	3.1
128.90135	1.9
135.04506	1.6
139.00388	5.2
140.01106	2.6
149.02518	2.6
149.06172	1.9
151.00400	8.6
151.04001	2.1
151.07574	1.6
152.26509	1.5
168.00638	5.8
169.01440	51.4
170.01820	1.6
191.10912	2.2
266.15378	4.4
267.16022	6.7
313.05591	12.9
419.17032	2.0
527.52777	1.7
581.22498	100.0
582.22668	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	581.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.7
61.98841	13.7
67.01891	1.2
69.78186	3.9
71.01401	2.4
77.35895	0.9
83.01392	1.8
88.98799	2.2
94.00369	0.8
96.96017	1.0
98.22247	2.3
107.01398	1.3
110.00106	1.7
111.00880	9.5
123.00880	2.2
124.01638	5.9
125.02452	11.3
127.00372	3.1
136.98802	5.9
139.00377	10.6
139.03954	1.0
139.35666	1.0
140.01173	16.9
151.00322	1.0
168.00661	40.2
169.01445	13.0
200.19734	0.9
267.15970	2.3
299.00708	4.2
312.01517	5.0
313.05728	2.8
315.79138	1.1
318.41556	1.1
331.19043	1.1
358.34024	1.1
375.18216	2.2
401.16058	3.1
419.17154	100.0
420.07455	5.8
420.17422	10.4
521.33557	1.1
581.22186	9.2
582.12744	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	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.2
57.03436	1.5
58.00605	1.7
59.01385	35.2
69.09131	5.8
69.09539	2.2
71.01393	22.4
72.99326	0.9
73.02950	2.9
73.75797	0.8
83.01396	5.9
85.02949	7.9
86.00115	1.2
87.00875	2.9
89.02453	15.7
95.01395	1.7
99.00898	1.9
101.02451	15.7
113.02473	6.7
115.04032	3.2
119.03515	7.8
123.00899	9.5
124.01688	2.6
125.02479	1.6
138.03238	19.0
139.03999	3.0
143.03476	2.1
149.61116	0.8
153.05568	13.9
160.99738	0.8
161.04604	1.1
179.05643	1.5
187.04015	4.5
188.04811	1.2
189.05550	1.2
201.05591	1.0
202.06297	4.2
203.07101	4.6
203.61121	0.8
205.05142	0.8
206.05843	1.5
217.05231	1.0
219.71428	1.0
221.08142	1.3
233.08192	11.5
313.07166	3.7
325.07150	1.8
326.07986	1.5
327.08844	2.7
328.09518	1.0
329.06647	1.5
340.09650	2.1
341.06680	1.5
341.10394	3.0
343.08142	1.3
343.12097	1.5
344.09067	2.0
355.11960	5.2
356.09091	2.1
357.09885	1.1
358.10727	8.1
359.11337	10.8
371.11444	8.1
373.12964	16.3
374.13382	1.2
386.13577	4.3
387.14285	1.1
389.12460	5.5
390.13031	1.4
397.65021	0.9
401.16119	6.9
404.14911	8.8
405.15506	3.3
419.17136	41.2
420.17575	4.1
566.20148	6.7
581.22437	100.0
582.22729	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	581.2247
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
59.01385	8.8
61.98848	1.5
71.01392	6.6
73.02950	3.1
77.16006	1.1
77.53168	1.2
79.01932	1.4
83.01405	2.5
85.02967	3.4
85.68053	1.1
89.02464	2.7
95.01413	1.6
98.21797	2.9
99.00918	1.4
101.02451	5.7
107.01392	3.5
111.00923	2.3
113.02489	1.6
123.00890	5.7
125.02457	18.2
139.00349	2.6
140.01144	3.0
150.03241	3.1
151.00394	4.7
165.05577	3.0
167.14433	4.6
168.00681	2.4
169.01443	19.7
195.06653	4.6
211.02473	1.8
249.15002	5.0
250.64349	1.2
267.16006	7.3
411.20520	3.2
429.21350	42.4
430.21692	4.7
563.21411	4.8
581.22430	100.0
582.22620	13.4
587.46844	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	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03439	0.7
59.01392	7.7
60.85098	0.4
60.99302	1.7
67.01871	0.8
71.01388	9.9
72.99306	0.6
73.02930	1.9
78.41506	0.4
79.01881	0.5
82.16799	0.4
83.01401	2.1
85.02959	3.1
85.06572	0.8
87.00880	0.8
88.98813	9.9
89.02469	2.1
95.01410	1.6
96.10938	0.4
97.02972	0.9
98.22542	0.8
99.00890	1.5
101.02467	6.6
107.01402	3.3
109.02959	0.6
111.00883	1.4
113.02475	3.6
119.03529	0.9
123.00896	8.9
124.01650	1.2
124.15523	0.5
125.02458	17.6
126.02772	0.5
127.00367	0.8
135.76688	0.4
136.98819	1.0
137.02470	0.4
139.00432	2.6
140.01198	2.6
141.01991	1.1
151.00392	4.5
151.11295	0.6
153.01950	0.4
155.03517	0.4
167.14418	5.4
168.00594	2.7
169.01442	18.1
193.64905	0.4
205.16042	1.2
206.16118	0.4
211.02448	1.3
223.17056	0.6
231.13893	1.5
249.14955	3.6
267.16031	8.1
268.16278	0.4
271.04623	0.9
313.05765	1.2
321.17026	1.2
411.20267	3.8
412.20230	0.6
429.21323	50.0
430.21655	5.1
437.14557	0.6
563.21423	5.9
564.21875	0.9
569.54523	0.4
581.22443	100.0
582.22821	15.2
582.32117	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	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
56.10260	1.4
57.03436	1.9
58.00596	7.2
59.01386	100.0
71.01388	76.8
71.26499	3.0
72.99318	9.0
83.01418	2.9
85.02954	13.5
87.00875	3.7
89.02454	95.5
89.90770	1.7
90.02783	2.2
95.01413	6.3
97.02979	2.0
101.02458	49.9
113.02470	29.3
119.03519	46.8
119.04899	2.3
123.00893	3.5
125.02454	13.5
131.03535	6.4
134.03758	6.2
137.02460	4.6
139.03978	1.8
143.03505	7.9
149.04594	4.4
151.04041	7.3
153.05663	1.9
161.04585	5.3
169.01450	9.5
175.04027	10.9
177.05563	3.6
179.05649	15.3
187.04076	6.1
188.04826	2.8
189.05666	2.6
190.06422	3.5
191.07091	2.1
193.05090	5.9
202.06343	2.8
203.07190	3.5
204.04388	1.9
205.05084	7.0
205.08824	2.9
217.08604	2.9
219.06606	3.0
220.07430	8.7
221.24132	1.6
235.09801	6.9
329.14185	2.0
339.12561	1.8
341.10178	7.9
356.12759	4.8
365.10382	6.8
371.15250	3.8
389.16202	4.0
401.16104	62.8
402.16562	5.2
447.08984	2.3
556.74615	1.9
581.14703	3.0
581.22388	12.0
581.30176	3.3
582.30499	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.7
67.01890	1.4
67.93987	0.6
69.03461	1.6
69.13897	4.4
71.01391	5.0
71.33729	0.7
72.99305	0.7
79.01885	0.8
81.03470	0.8
83.01401	1.0
85.02985	0.7
85.06590	1.0
89.02440	4.4
95.01398	2.1
97.02962	1.9
101.02446	2.7
107.01403	1.7
109.02939	1.5
111.00922	1.0
113.02473	2.2
119.03495	1.6
123.00900	7.1
124.01732	3.9
125.02462	69.3
126.02759	1.8
136.66245	0.6
137.02444	1.6
139.00356	3.4
140.01224	1.6
141.01949	1.0
151.00383	2.7
153.01918	0.9
154.78116	0.6
166.99867	1.0
167.03499	0.9
168.00667	7.5
169.01447	81.1
170.01799	2.5
189.12854	0.7
205.15933	3.5
211.02518	4.4
231.13896	2.8
244.46831	0.8
249.14975	9.3
267.15958	1.3
271.04642	2.4
276.29208	0.6
299.01999	1.3
313.05661	2.3
331.06708	3.9
390.14862	0.7
393.95465	0.7
429.21320	17.8
430.21426	1.0
499.04849	0.6
563.21301	2.4
581.22455	100.0
582.22797	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.75558	0.6
71.25755	0.8
74.58186	0.7
78.16199	0.6
141.92690	0.7
223.14729	0.7
279.23401	1.9
280.23676	1.6
281.24002	0.7
415.94095	0.8
456.51321	0.7
494.08417	0.8
506.31458	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	581.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07064	0.4
61.98835	100.0
71.29283	0.7
78.95940	1.2
112.17973	0.4
134.63655	0.5
152.99600	0.6
158.33748	0.4
178.44858	0.5
279.23477	1.1
280.23740	0.8
504.31442	0.8
579.51349	0.5
581.12347	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	582.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
61.98838	44.9
63.02386	2.3
65.00331	3.9
66.89171	1.2
71.01400	1.2
71.24243	1.0
71.27828	1.2
78.67171	0.9
83.01395	1.8
93.03495	2.6
95.01399	1.4
107.01408	9.1
109.02294	1.1
109.02979	4.2
111.00840	1.4
121.02973	7.3
123.00868	1.5
125.02489	5.0
128.76422	1.0
137.02463	1.2
137.53311	1.1
151.00388	31.7
163.00417	4.7
163.04056	1.0
168.00720	1.2
169.01509	6.0
178.99893	15.8
183.04468	1.3
187.04002	1.7
188.71429	1.1
199.04097	1.5
211.04106	2.0
212.04753	1.0
227.03433	2.2
229.05032	3.5
242.02240	2.0
243.02983	4.5
245.04593	3.6
254.02130	1.2
255.03056	13.9
257.04483	1.3
270.01807	2.2
271.02527	23.8
272.02972	2.3
273.04028	3.0
283.02493	2.2
285.04004	9.1
299.01999	6.1
300.02789	62.0
301.03564	100.0
315.05148	52.2
316.05563	2.7
419.16962	1.5
430.21692	1.4
459.09555	9.9
460.09457	1.7
477.10577	3.5
519.11499	40.1
519.19330	2.1
520.11841	4.3
534.17407	1.0
537.14093	1.1
582.23340	5.5
583.11017	16.1
583.23767	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	582.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34262	0.8
59.01378	1.1
61.98834	12.7
69.92995	4.1
71.01385	1.4
71.78313	0.8
84.79174	0.9
95.06990	0.9
106.60126	1.0
116.92912	1.4
123.00942	1.0
124.01611	1.7
125.02465	6.8
150.03253	1.9
151.00328	1.6
165.05557	3.8
168.00696	1.5
169.01425	9.7
170.01781	1.5
178.99883	1.2
190.25185	1.1
195.06645	1.5
199.02521	1.0
229.01517	1.1
242.00905	1.2
243.03056	1.8
250.69644	0.9
255.03154	5.5
255.05363	0.9
270.00433	7.3
271.02536	9.5
272.02942	1.1
282.00500	1.6
297.00455	2.8
297.99921	9.1
299.00742	42.9
300.02933	15.9
301.03595	5.8
312.01544	49.4
313.02301	9.4
313.05698	1.8
363.64856	0.9
419.06442	1.3
420.07281	78.5
421.07571	7.6
459.14270	1.0
535.20197	1.6
582.12628	100.0
582.22559	4.0
583.13031	13.1
583.23444	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	583.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03821	0.8
61.09966	0.9
61.98824	1.5
64.48313	1.0
67.19273	1.1
69.21864	8.3
78.91920	1.1
80.91687	22.7
87.93085	0.9
90.66026	1.1
93.03468	1.0
98.22478	1.8
104.33134	0.9
107.01416	2.1
125.02441	2.1
151.00392	3.1
159.04456	1.3
159.89499	1.1
163.00400	2.8
167.03444	1.4
169.01466	2.0
183.04474	1.5
185.06058	1.2
185.07547	1.1
187.04033	1.6
211.03990	2.8
227.03510	56.5
228.03871	3.8
229.05087	5.5
241.05052	1.5
255.02992	77.9
256.03638	10.3
257.04492	3.7
284.03281	78.7
285.04034	50.7
286.04358	3.0
307.02322	6.5
367.03113	3.4
431.79517	1.1
439.06314	1.6
456.58035	1.1
501.10425	100.0
502.10776	9.8
523.33521	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	583.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25640	0.2
59.01372	0.3
61.98830	2.9
63.02394	0.7
63.66565	0.2
65.00330	0.2
67.01900	0.2
71.01393	0.2
83.01392	0.3
84.72928	0.2
91.01913	0.5
93.03467	2.5
98.34947	0.2
104.46384	0.2
107.01398	2.0
109.02967	0.9
109.58145	0.2
117.03484	0.6
119.01379	0.4
119.05134	0.3
121.02972	0.6
123.00881	0.6
125.02463	1.2
131.05016	0.5
135.00925	1.3
137.02440	0.4
139.00487	0.2
141.07085	0.3
143.05070	1.5
145.02908	0.5
145.06633	0.3
151.00377	1.0
153.01942	0.3
155.05061	0.3
157.06625	1.2
159.04535	1.8
163.00397	2.1
164.01210	0.2
165.01900	0.5
167.05029	0.9
169.01451	2.4
169.06566	0.6
171.04546	1.0
173.06131	0.3
174.03128	0.2
183.04495	0.6
184.05263	0.2
185.06068	2.8
187.04022	4.0
189.05577	1.4
195.04538	0.7
196.05185	0.3
197.06067	1.0
198.03172	0.3
199.03960	1.0
201.05553	0.9
204.80450	0.2
211.04037	1.9
212.04720	0.3
213.05635	2.2
214.02792	0.2
215.03500	0.4
223.03981	0.4
227.03558	2.8
229.05069	13.4
230.05446	0.7
239.03490	2.1
240.04266	0.7
241.05067	1.3
243.03026	0.4
255.03043	0.9
256.03738	1.1
257.04572	6.8
257.14099	0.2
267.03006	1.2
284.03244	0.2
285.04062	100.0
286.04410	5.8
297.06128	3.2
300.99973	0.3
301.03314	0.3
560.31372	0.2
583.11859	1.2
583.23456	0.6
590.85437	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	583.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12609	0.6
63.02404	0.8
65.00316	2.0
68.99789	0.6
76.05384	0.6
81.07522	0.5
83.01404	1.1
93.03469	7.7
107.01413	3.8
108.02193	1.5
109.02937	1.2
121.02988	2.7
121.43036	0.5
123.74064	0.5
125.02487	0.7
135.00908	1.3
137.02461	16.0
148.01680	2.2
151.00383	12.6
162.03123	0.8
163.00352	2.3
164.01125	0.7
169.01486	1.3
177.05560	0.9
178.02681	0.7
178.99867	5.9
193.05064	1.0
199.04077	1.2
202.92966	0.5
211.04007	1.4
214.33871	0.5
215.03419	1.3
216.04333	0.8
226.02692	2.0
227.03516	4.2
243.02982	12.9
244.03526	1.3
245.04613	0.7
254.02209	1.9
255.03008	29.1
256.03378	2.2
271.02496	63.0
272.02991	4.8
273.04065	0.9
283.02393	1.0
299.01996	5.7
300.02771	100.0
301.03516	46.2
302.03912	3.0
310.37488	0.6
343.05103	0.7
445.07773	13.6
446.08304	1.1
463.08871	23.0
464.09232	2.7
544.11157	0.6
583.10980	35.9
584.11603	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	583.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.3
61.48130	1.5
61.98837	14.9
65.00335	2.5
69.06193	13.4
71.01374	6.0
78.91883	4.0
83.01374	1.8
87.00887	1.8
88.32722	1.5
89.02459	4.6
89.03987	2.6
93.03465	3.2
95.01368	3.8
98.21701	3.1
98.22365	6.5
103.01912	2.4
104.43890	1.6
107.01461	2.3
108.02188	3.4
109.02930	3.2
111.00867	3.4
115.01915	3.1
115.64401	1.6
117.03458	9.0
119.01406	2.9
119.04995	3.8
121.02949	3.4
123.00884	3.4
125.02483	6.0
129.03462	2.0
131.01373	2.3
132.02184	9.2
133.02997	9.5
135.00893	3.9
135.04608	1.7
137.02470	4.3
137.13771	1.9
138.05310	1.5
139.15157	1.7
143.01379	5.5
144.02187	3.9
145.02959	22.2
147.00897	4.3
147.04538	3.7
148.01683	5.6
149.02521	1.9
151.00381	3.1
152.01080	1.9
153.01941	3.0
156.02139	2.2
157.02946	5.2
159.00900	7.9
159.04478	3.2
160.01653	10.2
161.02475	41.3
163.00337	4.6
163.04037	7.5
165.01921	2.8
167.05022	2.2
168.00693	2.4
169.01468	2.5
171.00893	16.9
172.01668	10.5
173.02484	17.4
174.03131	1.9
175.00482	3.1
175.04028	7.3
176.01202	8.3
177.01945	4.0
178.99863	4.1
179.03551	4.3
181.17059	1.7
183.04506	2.7
185.02455	6.5
185.06120	2.8
187.00363	14.4
187.03920	4.1
188.01169	15.0
189.01942	38.7
190.02679	6.8
190.99889	3.8
191.03508	10.9
192.00618	3.4
198.03212	2.0
199.00383	12.2
199.04071	2.0
200.01144	8.1
201.01944	20.0
201.05618	3.3
202.02591	3.2
203.03503	14.1
204.00586	2.3
205.01447	5.6
209.00931	2.5
209.55962	1.6
211.03989	4.0
213.05470	2.0
214.74907	1.5
214.99889	20.4
215.03374	3.8
216.00632	13.6
217.01411	25.4
218.02029	2.6
219.02994	3.2
226.99927	10.9
227.03583	4.7
228.00594	2.7
229.01463	22.8
229.05081	6.1
230.02151	2.4
230.99362	3.9
231.03009	6.2
232.00165	3.8
233.00969	3.4
235.02466	3.3
241.05122	3.1
242.99330	26.2
243.03029	4.6
244.00110	7.1
245.00920	18.2
245.04610	2.4
246.01646	3.7
247.02472	6.7
248.03415	1.6
254.99454	3.9
255.03008	7.2
257.00854	3.5
257.04553	4.6
259.99649	22.8
261.00409	10.0
263.09671	1.7
270.98886	59.8
271.02438	10.7
271.99506	11.0
273.00452	43.7
273.03680	3.8
274.00897	3.2
275.02075	8.6
283.02512	2.3
285.03915	2.4
291.69348	1.6
297.04337	2.3
298.98370	100.0
299.99033	15.3
300.02780	14.7
300.99939	24.2
301.03574	19.0
302.04214	1.9
341.03085	7.2
384.22839	1.8
385.01929	3.5
421.18594	1.9
429.10431	8.8
455.13818	2.4
463.08926	2.6
483.13013	15.2
495.13126	5.8
499.12543	6.4
511.12292	8.7
521.10864	4.0
527.12018	51.6
528.12250	5.9
539.12018	50.3
539.20361	2.3
540.12445	2.8
547.21954	2.6
555.11475	79.7
556.11670	7.9
565.09955	6.0
583.11023	73.9
584.11395	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	583.1101
Annotation	6''-hydroxybenzoylhyperin
Peak:m/z	Relative Intensity
59.01384	1.9
61.98825	1.5
65.00320	2.2
71.01364	3.6
71.25194	0.7
71.25533	0.8
73.02941	0.7
77.68439	0.8
83.01395	1.6
85.02943	1.5
89.02444	1.0
93.03443	0.8
99.00868	1.1
99.30492	0.8
101.02468	1.7
107.01389	3.4
108.02194	2.2
109.02972	1.1
113.02450	1.6
119.01425	0.9
119.03513	0.7
121.02941	2.7
123.00893	0.9
124.01714	1.0
125.02449	3.6
135.00870	1.6
137.02466	1.3
140.01115	1.6
148.01675	1.8
149.02519	1.0
151.00377	12.1
155.03529	1.0
158.39102	0.7
161.04558	0.9
163.00401	2.5
164.01120	1.2
166.86746	0.7
168.00671	1.2
169.01463	4.2
173.02364	0.8
175.04076	0.8
178.99899	5.3
180.39333	0.8
183.42757	0.7
187.04073	1.0
190.99872	0.9
192.00598	1.0
199.04013	0.8
211.04091	1.1
216.04276	1.1
222.14552	0.7
226.02751	2.2
227.03464	3.8
229.05101	0.9
243.03023	11.0
245.04613	1.2
254.02252	1.9
255.02991	28.6
256.03351	2.2
271.02490	58.1
272.03049	6.3
273.04053	1.1
289.16611	2.5
297.68393	0.8
299.01956	1.6
300.02780	100.0
301.03513	35.1
302.03995	1.6
421.20563	1.7
451.21802	2.0
463.08890	25.2
464.09070	1.8
583.10980	71.6
583.24292	5.5
584.11322	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	583.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22137	0.9
58.52722	0.8
63.02396	2.1
65.00320	4.3
73.25014	1.0
83.01395	4.2
85.17060	0.8
93.03432	1.3
98.22648	1.6
102.62630	0.9
107.01398	8.9
109.02975	2.2
113.49291	1.0
121.02979	8.0
125.02451	5.3
137.02449	2.6
139.03937	0.9
148.01660	1.3
149.02429	2.0
150.03262	2.3
151.00375	30.0
151.01588	1.8
151.03925	1.4
153.01978	1.1
155.03493	1.3
162.71767	0.9
163.00356	2.2
165.05533	1.6
169.01416	7.6
175.04054	1.1
178.99855	15.1
183.04514	1.2
187.03934	1.4
195.06592	1.1
199.03954	1.4
201.05577	1.2
211.02408	1.3
211.04160	1.3
211.16960	1.0
227.03532	2.6
229.05038	1.0
243.02950	4.4
245.04607	1.5
255.02989	10.8
256.03549	1.3
271.02429	24.1
272.02936	1.9
273.04095	1.8
283.02417	1.5
285.04092	4.0
299.02014	9.7
300.02789	33.0
301.03546	100.0
302.03931	6.4
331.06854	1.7
445.07742	5.3
452.24292	0.9
463.09073	4.5
521.20227	1.7
577.96490	1.0
583.11066	16.8
583.23822	5.6
584.10992	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	583.1096
Annotation	2''-O-Galloylisovitexin
Peak:m/z	Relative Intensity
54.04005	0.6
57.03450	0.9
59.01371	2.5
60.49095	0.6
60.99297	1.0
61.98814	1.8
63.02402	0.7
65.00309	2.9
66.60681	0.7
69.02828	6.3
69.03442	1.1
71.01391	3.7
74.77814	0.6
78.71120	0.7
79.01900	1.1
81.03448	0.8
83.01392	1.6
85.02942	1.0
88.98303	1.1
88.98817	15.7
89.02435	2.2
93.03469	1.6
95.01389	0.9
96.96023	0.9
97.02971	1.8
99.04511	0.8
101.02446	2.0
107.01414	8.0
107.35458	0.7
109.02947	1.0
111.00845	0.9
113.02457	1.2
117.03463	3.4
121.02961	2.4
121.03792	0.6
123.00890	6.4
123.04498	1.3
124.01697	0.9
125.02460	44.4
126.02806	0.9
135.04579	0.8
137.02451	2.5
139.00383	3.3
139.04027	2.0
140.01143	2.6
141.01898	1.0
145.02992	0.7
149.02426	1.8
151.00389	8.3
151.03975	2.1
153.01955	1.7
155.03487	1.4
159.04579	1.0
161.02419	1.9
164.04803	4.4
165.01923	2.5
165.05472	0.7
167.03488	1.7
168.00624	2.9
169.01447	54.0
169.06593	2.1
170.01756	1.9
177.01968	1.1
179.07135	2.5
180.05809	0.7
181.06546	1.8
182.02145	0.6
187.04091	0.8
193.01424	2.6
196.05254	1.4
197.06050	2.5
199.03989	0.9
201.05727	1.0
211.02489	3.8
224.04744	0.7
225.05733	3.3
227.03600	1.4
235.99760	0.7
239.03249	0.7
241.03384	1.1
268.03961	0.9
269.04578	100.0
270.04919	6.7
271.04514	1.7
285.04202	0.9
299.99155	9.7
300.99942	7.7
303.04965	1.1
311.05685	1.4
313.05701	42.2
314.05984	2.1
365.02930	1.0
493.13535	13.1
494.13873	1.5
539.17810	2.2
583.10785	51.0
583.24915	1.4
584.11328	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	583.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00962	0.2
56.02259	0.2
59.01383	0.7
60.03437	0.2
63.82411	0.2
67.01905	0.3
69.03454	1.6
69.19769	1.1
69.20178	0.5
79.01905	0.7
81.03466	0.9
83.01399	0.8
95.01385	0.3
97.02962	2.0
98.21780	0.5
101.02491	0.2
104.49611	0.2
107.01407	0.4
123.00867	0.5
124.01674	0.7
125.02457	62.2
126.02773	1.6
143.05052	0.3
151.00307	0.4
168.00621	0.2
169.01436	100.0
170.01765	3.0
207.13809	0.4
209.11752	0.6
213.05560	0.2
229.05060	0.7
233.11870	1.0
239.03572	0.2
241.04988	0.2
245.66737	0.2
251.12863	0.2
257.04694	0.3
269.13846	1.0
277.42026	0.2
285.04074	6.1
286.04251	0.6
301.03668	0.4
317.13965	0.4
331.06699	1.7
335.14865	0.3
353.16016	0.3
413.18146	2.4
414.18484	0.4
533.90668	0.2
583.11371	0.4
583.20258	6.0
584.20508	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	583.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30212	0.3
57.03460	0.4
59.01386	2.8
64.88035	0.4
67.01898	0.5
69.03454	1.4
69.07528	3.4
71.01392	0.9
72.69152	0.3
73.02946	0.4
76.01785	0.3
79.01859	0.5
80.63593	0.3
81.03467	0.9
83.01393	1.0
95.01393	0.5
97.02953	1.9
98.21782	0.5
98.26039	0.3
101.02444	0.3
102.13374	0.3
120.68230	0.3
123.00887	1.4
124.01675	3.2
125.02456	100.0
126.02799	2.5
139.00375	0.5
151.00423	0.4
151.04019	0.4
165.12912	0.7
167.03458	0.4
167.50571	0.3
168.00658	4.1
168.91911	0.4
169.01436	91.4
170.01779	2.6
207.13985	0.9
209.11807	1.1
233.11833	2.1
251.12799	0.7
255.02962	0.4
269.13983	2.7
287.07739	16.2
288.08072	0.6
313.05673	0.5
317.14026	0.8
331.06720	13.9
332.07010	1.0
413.18027	2.0
431.10144	0.6
461.89798	0.4
479.19443	1.8
521.20453	1.0
523.18201	0.7
539.21387	22.3
540.21613	2.6
565.19104	1.0
580.42255	0.4
583.20294	17.9
584.20966	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	583.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
59.01385	15.3
61.98841	7.9
69.03457	2.1
70.94900	2.8
71.01374	3.3
75.42548	1.0
79.01900	1.1
93.04560	1.2
97.03008	1.5
99.04603	1.3
101.02442	2.3
107.01411	8.2
109.06588	1.8
113.02512	1.5
123.00895	6.9
124.01717	1.8
125.02462	70.7
126.02764	8.0
127.02963	1.8
139.00404	2.9
146.86490	1.2
151.00372	3.8
165.12880	2.2
168.00633	2.6
169.01442	100.0
170.01758	9.1
171.01904	6.8
207.13914	10.5
209.11812	4.5
209.93143	1.1
211.02505	2.2
251.12892	4.2
268.93802	1.1
269.13965	28.0
270.14352	1.9
285.04218	1.5
293.14090	1.5
307.17392	1.3
309.56628	1.2
311.15128	1.5
313.05582	4.7
331.06616	2.1
341.16040	4.0
364.45676	1.4
371.17084	13.6
421.15054	2.0
431.19275	31.9
432.19406	2.9
523.18542	1.8
558.72308	1.3
565.19269	2.2
583.20117	26.0
583.32465	1.1
584.21204	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	583.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	13.9
69.15472	1.0
69.15785	7.7
93.03462	4.8
101.02462	1.2
109.02960	1.4
121.02964	7.2
122.03755	16.2
123.00925	1.7
124.01694	2.7
125.02465	8.2
133.02911	2.0
136.01680	1.3
138.03256	1.2
139.00380	1.2
139.04033	1.2
140.01173	2.8
149.01494	0.6
149.02457	33.5
150.03244	99.0
151.03645	3.3
155.03525	4.0
164.04800	6.6
165.05588	100.0
166.05911	3.7
168.00752	1.5
169.00142	1.8
169.01440	12.0
170.01591	0.9
175.04059	1.4
177.05627	2.0
179.07158	1.6
180.04314	6.0
195.06650	59.9
196.06908	2.0
201.12901	1.2
211.07686	1.3
263.12955	1.9
267.07028	1.2
268.07404	1.9
280.43726	1.1
283.09903	2.4
297.11401	1.0
301.03262	1.2
307.09628	1.6
308.06757	1.4
308.10452	1.4
309.07468	1.1
312.06451	2.5
323.09280	3.0
324.06476	1.0
324.09946	2.1
325.10861	2.2
326.11600	3.4
327.08716	5.9
339.08740	11.3
339.12338	1.7
341.14063	1.8
342.11136	5.8
354.11240	3.6
355.11850	1.1
357.13489	20.6
358.13748	1.8
369.13446	22.7
370.13760	1.4
421.07382	1.0
472.14984	1.4
475.17532	1.3
487.17606	2.6
503.13263	1.0
505.18738	8.0
506.19379	1.1
517.18451	1.7
535.19751	38.6
536.20215	4.6
547.21539	2.4
553.21100	1.1
583.12769	2.3
583.23615	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	583.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.1
61.98840	8.2
65.00329	1.0
68.93092	0.7
71.01379	1.9
83.01427	0.9
93.03481	3.8
98.22569	1.4
106.46669	0.7
107.01387	2.5
108.02178	0.9
109.02969	1.6
111.00815	0.9
111.62790	0.8
121.02956	7.2
122.03759	14.2
123.00929	2.2
123.04481	0.9
125.02460	12.1
133.02937	1.5
136.01659	1.7
139.00459	1.1
140.01111	1.6
149.02461	20.4
150.03239	93.0
151.00398	5.9
151.03682	2.5
152.01193	1.6
153.01952	1.7
155.03485	0.9
161.02356	0.9
164.04813	3.2
165.05585	100.0
166.05940	2.9
166.97168	0.8
167.03513	3.1
168.00662	2.5
169.01433	19.1
178.99843	1.6
180.04292	6.5
190.06348	0.9
195.06644	62.9
196.06996	2.6
223.06128	1.1
227.07310	1.2
268.07535	2.2
268.10660	0.9
271.02466	1.2
280.07587	1.1
283.06351	0.8
283.09766	2.4
285.04053	3.1
300.02872	1.8
301.03516	12.0
308.06857	1.1
309.07681	1.7
309.21188	0.9
312.06464	1.7
323.09210	3.2
324.06573	1.1
324.10016	1.7
327.08719	6.9
338.11407	1.0
339.08789	10.0
339.12408	1.8
342.11105	3.9
343.11234	1.0
354.11108	3.3
357.13464	20.4
358.13980	1.6
369.13431	20.0
370.13660	1.4
377.19604	1.4
403.17590	1.3
421.18744	4.1
431.22931	1.6
487.16660	1.0
535.19922	1.1
583.10779	4.8
583.23920	10.6
584.11127	1.6
584.23651	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	583.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.8
61.98835	26.0
63.02381	1.7
63.69918	1.7
65.00324	2.9
67.58983	1.8
71.01382	9.5
71.27704	2.1
79.01888	1.7
79.47989	1.8
83.01389	6.5
85.02985	2.6
87.04510	2.0
89.02455	2.8
90.98020	1.8
93.03474	8.0
95.01395	4.4
101.02438	4.6
107.01405	14.2
108.02165	2.2
109.02960	9.7
111.00932	4.7
113.02449	3.2
121.02964	11.3
122.03740	14.4
123.00902	8.3
124.15105	1.7
125.01537	2.9
125.02459	54.6
136.98759	2.6
137.02469	4.2
139.00401	5.1
140.01178	7.1
149.02458	23.9
150.03238	93.8
151.00383	36.9
151.03632	3.3
153.01926	8.2
153.05563	2.4
155.03557	2.3
159.04552	2.3
161.02415	2.5
163.00427	3.9
164.04832	4.9
165.05580	100.0
166.05923	4.4
167.03496	5.9
168.00647	9.8
169.01442	70.8
170.01825	2.0
178.99887	13.8
180.04195	4.9
187.03931	3.0
193.01402	2.2
195.06644	65.8
196.06987	2.4
211.02438	3.8
227.03654	3.1
229.05003	3.2
245.04425	2.7
255.02997	8.3
268.07596	2.4
271.02432	7.3
271.04733	5.9
280.07571	2.0
285.04071	16.5
286.04291	4.6
297.06393	3.6
300.02768	18.0
301.03546	68.2
302.03961	4.5
313.05801	6.1
324.09937	3.1
327.08810	6.0
338.11356	2.2
339.08804	6.3
342.11185	3.3
354.11154	3.0
357.13409	19.0
358.13834	2.5
369.13510	20.5
377.19806	9.8
378.88943	2.0
403.17709	6.6
421.18787	29.5
422.19006	3.4
431.22702	9.8
520.11810	3.1
539.25067	5.7
565.23059	3.0
583.10956	37.2
583.23828	81.0
584.11511	6.3
584.24371	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	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57869	0.3
58.32066	0.3
61.98835	100.0
69.51708	1.5
69.52094	0.6
88.82913	0.3
98.21833	0.4
107.48168	0.3
109.02957	0.5
121.03026	0.6
123.04580	0.4
125.02441	2.9
125.03201	0.3
150.56120	0.3
151.00351	1.7
161.02512	0.3
169.01480	1.4
178.99905	0.8
241.09618	0.3
301.03519	4.2
404.60519	0.3
428.90106	0.3
435.62317	0.4
485.89471	0.4
585.09546	0.4
585.26007	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	585.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99334	1.5
69.49367	1.5
71.01399	2.7
71.27676	3.0
85.02963	2.5
93.03484	5.9
107.01421	4.0
111.00887	2.5
125.02456	41.5
125.03339	2.9
137.02496	3.5
155.03578	3.2
163.74178	1.5
164.36394	1.6
169.01440	100.0
169.21399	1.9
173.04552	22.3
191.05638	16.4
210.18031	1.5
211.02502	2.0
325.05603	11.1
337.80103	1.8
343.06711	43.9
344.07208	2.8
423.09329	5.0
495.07846	42.5
495.14630	3.4
496.08258	2.7
585.14435	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0892
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
59.28687	0.2
63.02399	3.1
65.00327	4.3
69.08482	2.0
73.40286	0.2
81.69343	0.2
83.01393	3.1
91.01955	0.3
93.03467	1.7
96.96001	0.3
102.00639	0.2
107.01405	10.4
109.02960	3.4
119.01408	0.7
121.02968	8.5
122.03355	0.3
123.00998	0.2
125.02447	0.7
135.00911	0.5
137.02437	0.3
139.04016	0.9
147.04660	0.2
149.02415	1.0
149.78870	0.2
151.00383	36.1
152.00737	1.1
159.04555	0.5
161.02457	0.3
163.00386	3.3
163.04037	0.4
164.01155	0.5
167.05017	0.2
169.01427	1.7
171.04543	0.4
173.06029	0.5
175.03940	0.7
178.99876	15.6
180.00240	0.5
183.04590	0.5
185.06038	0.4
187.04019	0.9
189.01924	0.2
193.01407	0.8
195.04405	0.3
199.04022	0.4
201.05597	0.9
203.03552	0.4
211.03986	1.6
212.04730	0.2
213.01846	0.3
213.05498	0.3
214.02628	0.2
227.03387	1.2
228.04068	0.3
229.05118	1.6
231.02931	0.3
239.03525	0.8
243.02962	0.3
245.04594	2.1
255.02995	3.3
256.03677	0.3
257.04517	0.5
266.02246	0.2
271.02371	0.6
273.04053	2.7
283.02469	0.9
300.02731	0.4
301.03549	100.0
302.03873	6.7
433.08429	0.3
477.39444	0.2
585.08954	4.8
586.09186	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	585.0892
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
63.02400	2.6
65.00331	4.7
69.33898	2.3
83.01392	3.2
85.68034	0.3
93.03470	1.4
107.01405	9.3
109.02962	3.1
121.02967	7.7
123.00877	0.7
125.02473	2.6
137.02434	0.7
139.03992	0.7
147.00949	0.4
149.02406	1.4
151.00385	38.4
152.00693	1.1
159.04468	0.7
161.02501	0.8
163.00381	3.2
164.01114	0.6
165.01868	0.4
167.05110	0.4
169.01442	2.2
173.06081	0.3
174.03423	0.4
175.04010	0.7
177.01833	0.4
178.99881	16.4
180.00200	0.8
183.04507	0.6
187.03972	0.8
193.01410	1.0
201.05597	1.1
211.04048	1.6
218.44913	0.4
227.03548	1.4
228.03972	0.4
229.05038	1.3
239.03467	0.5
240.04242	0.4
243.02968	0.5
245.04546	2.2
255.02988	2.9
256.03598	0.7
257.04550	0.7
271.02420	0.8
273.04047	2.5
283.02191	0.7
283.04868	0.8
299.02185	0.4
300.02704	0.5
301.03552	100.0
302.03891	5.8
317.03491	0.4
433.07681	0.9
509.38129	0.4
585.08734	5.7
585.24963	0.6
586.09106	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	585.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75274	1.1
61.98818	4.5
63.02391	1.0
69.11177	7.5
71.01390	2.2
83.01398	2.5
85.02950	1.6
88.21433	1.1
88.98768	1.3
89.02470	1.3
93.24283	1.0
101.02428	1.6
107.01400	12.4
108.91111	1.0
109.02956	1.9
111.00894	1.5
113.02382	1.2
113.52588	1.0
121.02954	3.2
123.00941	3.5
125.02467	30.1
135.00984	1.4
139.00417	2.0
140.01128	3.0
149.02444	2.1
150.44052	1.0
151.00377	25.9
153.01987	1.4
153.49301	1.2
154.15605	1.4
163.00383	5.7
168.00642	2.5
169.01442	31.4
178.99866	15.7
187.03934	1.1
192.00706	1.3
193.01402	1.7
211.03984	2.1
226.02673	2.1
227.03419	2.2
229.05057	1.4
243.02979	7.4
244.03423	1.2
245.04396	1.4
254.02396	1.5
255.02980	24.7
256.03262	2.1
271.02490	44.6
272.02930	3.7
273.03641	1.9
275.01816	1.4
283.01865	1.4
283.04800	9.7
299.02072	1.6
299.99576	2.6
300.02756	75.9
300.99991	5.9
301.03470	59.1
302.03659	4.3
326.96591	1.1
426.81833	1.1
433.07806	33.8
434.08142	2.9
460.08777	1.0
585.08875	100.0
585.24927	4.7
586.09332	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	585.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94688	0.8
57.03456	1.1
59.01377	1.4
60.03903	0.7
63.02407	2.9
66.01687	0.7
69.80345	4.4
71.01390	2.4
76.57674	0.9
83.01376	5.7
83.07624	0.8
92.73144	0.8
93.03488	1.2
95.01364	0.9
97.02966	0.9
107.01402	14.2
108.02254	1.1
109.02984	3.6
111.00970	1.1
113.02457	1.2
117.00948	1.0
119.05056	2.7
121.02956	8.8
123.00878	7.1
125.02464	39.3
126.02804	1.1
139.00435	2.0
140.01163	2.1
141.01984	1.6
143.05006	4.9
145.02982	1.9
149.02432	2.1
151.00383	42.8
152.00725	1.4
157.06543	1.3
161.06055	5.2
163.00375	3.0
164.01080	1.0
168.00684	2.5
169.01451	45.1
170.01724	1.1
178.99896	15.1
183.04585	1.5
185.06079	11.0
187.04050	4.7
193.01443	1.3
195.96510	0.8
199.07712	1.7
201.05531	1.2
203.07179	3.5
209.06149	2.5
210.79021	0.9
211.02505	3.0
211.04227	1.4
227.07130	9.6
227.94559	0.9
229.05109	2.7
241.03725	1.2
241.22388	0.8
245.04645	2.4
253.05179	1.8
255.03023	2.8
271.06180	39.5
272.06580	3.1
273.04172	1.7
295.06281	1.0
301.03561	100.0
302.03879	6.9
313.05692	28.6
314.06049	1.9
316.60489	0.9
405.19327	1.3
433.11499	15.8
434.11737	1.9
459.09528	2.2
541.13727	3.5
582.09589	0.9
585.12598	75.0
585.25696	7.1
586.12939	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	585.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.3
59.01379	1.4
61.98837	2.9
62.93808	0.7
63.02399	1.6
66.29758	0.6
69.03172	7.2
71.01402	4.1
71.30516	0.6
79.01929	0.8
81.03461	1.1
83.01394	7.3
93.03466	3.4
95.01398	1.6
97.02966	1.3
97.24972	0.6
98.22617	1.3
100.28449	0.8
101.02466	1.5
107.01400	21.6
108.87978	0.7
109.02990	0.7
110.08689	0.7
111.00901	1.8
113.02512	1.2
117.03490	1.2
118.93571	0.7
119.05039	20.6
123.00899	9.7
123.04536	0.9
124.01678	2.0
125.02463	99.3
126.02812	2.5
127.00457	1.0
133.02995	1.2
136.98834	0.9
137.02489	1.4
139.00429	3.4
139.04071	0.8
140.01173	2.6
141.02031	1.0
143.05025	1.5
145.02974	5.6
149.02455	2.0
151.00391	47.7
151.57426	0.8
152.00771	1.7
152.40730	0.7
153.01939	1.1
159.76253	0.7
161.02443	0.7
161.06047	1.0
165.01945	3.5
167.03566	2.1
168.00668	5.5
169.01447	80.3
170.01820	2.4
175.00378	2.8
177.01906	3.7
179.03540	0.9
185.06111	1.6
187.03999	1.6
193.01425	3.1
209.06114	0.8
211.02489	10.3
211.04332	0.9
223.02437	0.8
227.03436	0.8
227.07137	2.2
241.03563	3.2
255.03044	1.2
271.02283	1.5
271.06363	25.9
272.06540	1.6
295.06165	0.7
300.02820	4.1
301.00259	1.4
301.03558	5.3
310.68063	0.8
313.05679	71.4
314.06131	3.8
433.07834	5.2
439.08856	63.3
440.09271	6.5
465.06662	4.5
491.08435	6.2
585.12579	100.0
585.25464	6.6
586.12872	16.2
586.22693	1.1
586.26379	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	585.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87053	0.3
59.01370	0.7
61.98834	4.6
68.95992	0.9
68.96410	1.9
71.01376	0.4
78.05905	0.2
79.01874	0.3
85.02940	0.3
95.01410	1.5
95.70127	0.3
98.21874	0.9
98.22559	0.4
99.82886	0.3
101.02450	0.4
107.01356	0.3
111.00864	0.4
113.02386	0.3
117.03481	0.6
119.74254	0.3
123.00912	1.9
125.02423	0.7
129.03438	0.4
133.02953	0.4
139.00406	0.7
145.02972	1.4
146.89455	0.3
147.04550	0.7
157.02942	0.7
161.02448	0.8
163.03993	0.5
165.05559	0.3
166.99820	0.3
169.01421	0.7
173.02441	2.0
175.04021	0.8
177.01859	0.3
181.86299	0.3
185.02435	2.2
186.02800	0.3
189.01917	0.8
190.02715	0.4
191.03526	0.6
200.01140	0.6
201.01968	3.0
203.03510	0.9
213.01866	0.4
217.01421	0.9
219.02919	0.4
226.99904	0.6
228.00536	0.5
229.01414	6.0
231.02991	0.5
245.00935	2.3
247.02542	0.5
257.00909	3.2
258.01605	0.6
273.00357	1.2
274.01254	0.4
275.02002	3.8
283.99606	2.8
299.99136	3.0
300.99911	100.0
302.00247	7.0
306.07391	0.3
539.36847	0.3
559.43420	0.3
585.12537	22.0
586.12891	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	585.165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.0
61.98817	0.8
70.12666	1.4
71.01395	0.9
74.38400	0.4
78.12990	0.4
78.95905	0.5
96.96033	4.0
98.95612	1.8
99.00883	0.8
99.92592	17.0
100.92664	0.7
100.93376	1.0
101.35749	0.5
103.00382	0.8
109.29480	0.4
110.33695	0.4
115.91249	0.6
115.92088	26.0
116.92870	100.0
117.92882	4.1
138.15379	0.5
140.92859	0.9
141.93703	0.7
142.94501	0.7
156.92334	0.5
158.93900	0.7
169.01373	1.0
170.93947	0.5
174.93472	0.9
183.03000	0.7
184.91821	1.9
196.95393	0.6
244.97656	0.5
259.96326	1.0
321.11710	1.6
327.94931	0.6
387.44366	0.5
425.30252	1.0
463.14206	1.2
464.15723	0.5
481.15475	7.9
482.15744	0.7
499.16254	3.6
500.17093	0.7
511.16592	0.6
523.16394	2.1
541.17767	4.2
542.18091	0.8
549.14423	1.8
567.15479	1.0
585.16510	11.3
586.16803	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	586.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87565	4.4
52.39186	4.4
52.57311	4.6
59.88226	4.4
60.99301	7.6
61.96613	4.4
67.00117	4.4
69.00248	5.0
69.77929	12.3
69.78344	19.9
79.95744	18.2
80.96541	10.5
84.59351	4.8
88.98811	36.9
95.97626	41.5
126.92170	6.0
134.06120	8.2
163.03984	14.6
180.06660	53.4
186.82349	5.2
191.03552	7.6
191.49820	4.7
203.03510	8.5
247.02493	14.9
260.02335	100.0
273.00366	9.4
387.84253	6.0
393.04364	8.9
453.06912	12.7
479.04739	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	587.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.1
61.98836	11.7
69.05901	14.7
69.06320	17.6
70.00532	2.9
87.28263	3.1
98.22221	15.1
100.47240	3.0
107.01411	8.7
116.89716	3.4
117.03525	8.8
119.04971	3.2
120.77436	3.1
121.02981	6.2
125.02465	53.4
133.02960	6.3
145.02972	12.2
147.00954	4.3
147.04556	4.4
154.67128	3.2
157.95300	3.6
161.02504	23.0
163.00380	3.5
163.04047	6.0
169.01456	100.0
171.00911	5.8
173.02478	10.7
177.02000	5.2
187.00415	4.2
188.01215	4.7
189.01953	28.1
190.02621	6.7
190.99789	3.6
191.03520	23.1
199.00386	3.8
201.01907	16.3
202.99893	3.6
203.03525	5.8
205.01445	3.9
211.04178	3.8
214.99812	5.6
216.00568	3.6
217.01376	23.5
219.03075	5.8
226.99883	7.5
229.01436	11.3
235.02371	7.1
242.99345	8.4
245.00963	19.3
247.02522	11.5
259.99637	12.4
261.00507	4.8
270.98770	19.2
273.00449	64.7
274.00607	3.8
275.01846	4.9
298.98349	41.4
299.99203	5.5
301.00244	15.5
301.03217	5.3
417.08557	4.6
469.11520	8.6
475.08969	3.8
487.12595	13.4
513.09985	19.9
515.11932	12.5
525.10638	31.4
541.09875	31.2
542.10114	4.8
543.11523	49.7
544.11761	7.5
551.08472	3.4
569.09399	33.3
570.09100	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	587.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72562	0.4
54.80341	0.4
59.01382	0.7
60.11536	0.4
60.99301	1.3
61.98840	1.2
65.00329	0.9
67.01895	0.4
69.03465	1.8
69.69917	1.2
69.70321	0.7
71.01383	1.6
81.03464	0.6
83.01387	0.5
85.02953	0.5
88.98818	7.6
95.01392	1.2
97.02970	1.9
98.22019	1.1
101.02475	1.0
107.01404	10.2
111.00893	0.7
113.02471	1.1
121.02968	8.3
123.00881	3.4
124.01701	1.0
125.02460	72.8
126.02790	2.0
128.03505	0.8
135.04529	1.1
137.02498	0.5
139.00394	1.3
140.01167	1.6
143.04645	1.6
151.00395	4.6
152.00691	0.5
153.91165	0.4
165.01921	0.8
167.03458	0.8
168.00658	2.1
169.01442	100.0
170.01765	4.1
178.99887	0.8
180.00061	0.4
189.05727	0.5
193.01433	1.1
207.03200	0.5
209.11809	3.3
211.02528	2.5
227.12991	0.5
239.24573	0.5
247.02591	0.4
253.03616	0.9
255.03114	0.6
271.02466	0.9
272.09009	1.1
273.03860	0.5
275.01874	0.5
295.04608	0.7
300.02646	2.0
300.99985	0.9
301.03531	4.1
302.03922	3.2
303.04111	4.2
306.07635	2.3
313.05737	1.2
340.80811	0.4
375.07294	2.2
396.94217	0.4
397.13629	0.6
417.08362	2.2
421.97037	0.5
435.09381	12.4
436.09824	1.1
465.06964	1.5
468.04068	0.5
475.08868	1.2
515.22064	0.5
525.22894	0.5
527.09064	0.6
587.10413	34.3
588.10913	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	587.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98821	1.5
64.54693	0.8
65.00312	0.9
66.13371	0.8
68.05092	0.7
70.30225	2.1
70.69229	0.8
71.01405	1.7
76.04706	0.9
81.03472	0.8
85.02953	1.0
85.98950	0.8
88.98778	0.8
89.03986	1.4
90.21871	0.8
90.26992	0.7
91.05532	0.8
93.47609	0.8
95.01395	1.1
105.03487	2.1
106.04275	1.0
107.01411	1.0
107.05010	1.2
109.02936	1.0
113.02493	0.9
117.03474	5.0
119.05022	3.6
121.02985	2.5
123.00889	1.4
123.04496	1.6
125.02457	5.3
129.03458	1.4
133.02960	7.4
135.04527	2.8
137.02457	2.6
143.52153	0.8
145.02963	13.7
146.03728	0.8
147.00900	1.6
147.04530	4.6
149.02440	2.0
151.00446	1.1
151.03989	1.0
152.98288	0.9
157.02940	1.9
159.04538	0.8
161.02467	17.7
162.03214	2.1
163.00410	1.8
163.04027	6.5
165.01968	1.9
165.05597	1.3
167.03568	1.6
169.01421	5.2
173.02454	12.4
174.03171	2.3
175.00360	2.1
175.04024	3.4
176.01120	1.3
177.01904	3.9
179.03539	3.5
185.02414	1.1
187.00261	1.1
188.01227	1.0
189.01962	23.0
190.02725	9.0
191.00038	1.0
191.03514	29.0
193.01407	2.5
201.01938	10.4
202.99883	1.2
203.03510	3.1
205.01416	5.2
209.00934	1.1
214.99899	1.3
217.01425	41.7
218.02141	3.8
219.02974	6.2
221.00873	1.9
222.01741	1.2
229.01411	8.9
230.01915	1.0
230.99298	1.2
235.02498	3.9
242.99251	1.4
244.00047	1.1
245.00922	44.0
246.01477	4.0
247.02499	12.8
259.99713	1.8
261.00458	0.9
263.02090	1.3
270.98917	2.9
273.00418	100.0
274.00797	5.8
285.03833	1.0
288.99704	1.3
291.01312	1.0
298.98245	5.1
299.98911	1.0
301.00131	1.3
366.53821	0.9
449.82761	0.8
471.12943	1.9
487.12463	15.4
488.12714	1.2
499.12479	2.4
513.10522	1.8
515.11969	22.2
516.12457	2.3
525.10626	5.2
541.09601	4.6
543.11517	57.4
544.11780	5.4
569.09235	3.8
587.11389	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	587.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.9
71.27715	1.4
72.99347	1.9
73.02942	3.5
81.03442	1.4
81.86174	1.4
82.95455	1.7
89.03952	1.3
93.03460	7.8
95.01365	1.2
97.02962	2.4
109.02959	12.5
117.03458	1.9
123.00900	3.5
123.04552	9.8
125.02463	57.2
126.02801	1.9
133.02968	4.3
137.02463	2.2
137.85193	1.3
145.02980	14.8
147.04529	3.5
150.03189	1.2
151.04018	6.5
161.02385	1.8
161.06053	1.5
166.99876	3.0
169.01443	100.0
170.01857	2.2
176.01280	1.4
177.01941	47.6
187.04012	3.5
189.01947	36.1
189.09280	2.8
190.02727	7.1
191.03535	6.6
193.01459	4.6
201.01929	3.1
203.03525	5.3
216.00670	7.4
217.01434	29.8
218.01993	2.8
219.02948	11.9
219.13916	4.8
229.05080	1.5
231.02980	9.4
241.05028	3.5
263.12921	2.7
271.06082	12.6
275.05539	1.6
281.04788	2.2
283.06073	5.4
289.07178	5.3
297.07642	1.8
311.05667	6.3
323.05609	23.5
324.06076	2.4
341.06677	69.5
342.06842	6.0
417.09955	9.2
435.10892	88.5
436.11194	8.5
477.08145	3.2
587.12567	14.8
587.23438	11.4
588.11560	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87899	1.1
55.01875	1.2
58.82615	1.1
59.01379	4.7
61.98825	1.8
65.00331	1.1
67.01933	1.4
69.06165	2.3
69.06568	7.9
71.01382	3.0
71.43662	1.0
72.99301	1.8
73.02936	1.3
79.01879	1.2
85.02960	1.6
87.00871	1.2
90.47263	1.2
90.47955	1.2
95.01414	1.9
97.02931	2.5
98.22176	5.7
101.02464	1.9
107.01406	13.8
109.02963	1.3
111.00898	5.0
113.02487	1.5
117.03489	1.8
119.05072	1.7
119.14140	1.2
121.03004	1.5
123.00912	13.8
124.01749	1.7
125.02462	44.1
126.02722	1.2
127.00450	1.5
133.02969	2.5
136.98837	2.9
138.17464	1.1
139.00368	6.6
140.01166	5.9
141.01952	2.5
145.02954	5.3
151.00383	10.3
161.02466	6.7
163.04066	1.3
168.00703	7.3
169.01450	48.7
173.02420	3.4
175.00446	1.4
175.03947	2.0
176.43178	1.1
177.01991	1.7
179.03499	1.7
189.01903	7.8
190.02705	4.0
191.03496	9.3
201.02002	3.3
205.01436	1.7
211.02473	1.9
217.01419	12.8
218.02174	1.8
219.02902	2.1
229.01445	3.0
235.02557	1.2
245.01003	12.9
246.01585	1.6
247.02481	4.5
270.98798	1.7
271.04623	1.8
273.00427	34.3
273.03217	2.2
274.00909	2.0
298.98428	2.6
300.99988	3.1
302.00308	2.1
303.00528	2.3
313.05765	3.0
435.12997	41.2
436.13251	4.2
487.12460	6.2
515.11761	6.8
525.10339	2.6
541.10052	2.0
543.11469	20.5
544.11737	2.6
569.09894	1.4
587.14105	100.0
588.14532	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	587.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52422	0.6
57.03452	1.1
59.01369	1.4
61.98829	3.9
65.03623	0.7
65.03957	4.4
67.01886	0.8
69.03877	0.8
71.01393	4.1
72.99306	0.8
83.01408	1.0
85.02955	2.0
89.02439	0.9
93.03477	0.8
95.01434	1.8
97.02957	1.5
101.02493	1.0
107.01403	7.9
107.05034	5.6
108.02186	0.8
109.02957	14.8
111.00912	1.1
113.02483	1.8
116.91971	0.8
121.02981	0.9
123.00896	6.8
123.04536	0.9
124.01687	1.3
125.02460	60.2
126.02784	2.1
135.00900	2.2
137.02472	1.5
139.00369	3.1
140.01135	2.0
143.00769	0.7
148.15500	0.8
150.03288	1.2
151.00424	10.6
151.04022	87.9
152.04382	2.3
153.01939	2.0
163.04004	4.9
167.03491	1.9
168.00662	2.9
169.01440	80.6
170.01808	2.4
171.27423	0.7
175.04111	1.3
177.01933	1.6
178.99849	1.4
191.03497	1.0
193.05023	0.8
194.22166	0.8
199.03995	0.9
211.02550	2.6
223.02434	0.9
241.03459	2.2
255.02956	0.9
255.06599	1.0
271.02319	1.4
273.07770	8.6
285.03949	3.9
300.02802	2.5
300.99973	5.2
301.03070	1.4
303.05164	4.8
313.05695	52.6
314.06171	3.4
407.21231	0.8
425.09232	1.3
435.08960	1.5
444.91666	0.8
465.10416	11.6
477.10568	1.1
505.09821	1.2
510.56302	0.7
569.12970	2.3
587.14142	100.0
587.27472	7.0
588.14435	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	588.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75131	6.1
55.17426	4.5
59.11507	6.0
61.98839	8.1
70.98426	5.1
71.01408	8.8
71.26796	7.8
104.66756	5.3
107.01347	4.7
116.92876	12.0
117.92961	5.5
123.00902	7.0
123.04576	10.3
125.02476	94.5
126.02762	7.6
133.01450	6.0
137.02454	5.8
148.01735	12.1
151.00410	6.1
153.05589	11.9
163.03979	11.1
166.02637	6.3
167.03506	6.8
169.01447	100.0
169.75233	5.6
170.01807	6.1
175.04109	5.8
177.01917	7.4
178.02661	7.4
181.05043	19.7
185.18542	5.3
193.05145	10.2
199.03973	6.0
208.71127	5.0
211.06245	7.3
313.05685	57.3
381.11530	5.7
465.10419	18.1
495.11566	20.5
507.11481	52.5
525.12585	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	15.8
61.86813	0.9
69.78138	4.6
77.84255	0.8
88.98814	100.0
89.99135	1.4
98.21832	1.8
108.87902	0.9
137.02444	1.8
163.00381	2.3
193.01457	1.3
203.03506	3.5
221.04451	0.9
231.02953	2.1
237.00436	1.0
247.02490	1.4
249.03938	1.9
257.01151	2.0
275.01968	9.9
293.03015	2.9
300.99963	10.9
319.01218	1.0
327.05377	1.1
346.23599	1.1
439.04968	1.0
481.06357	7.6
499.07278	9.1
500.07480	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	589.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12299	1.1
60.43310	1.4
71.01379	1.7
71.25493	2.0
83.26927	1.3
85.02974	2.0
85.09232	1.3
86.24580	1.2
86.83587	1.2
87.00903	2.7
89.03979	1.7
95.01457	1.4
96.84969	1.1
105.03476	1.9
108.02208	6.3
109.02970	11.6
113.12284	1.3
117.03478	5.4
119.05054	2.2
121.02994	2.5
123.00905	2.1
124.98810	1.7
125.02493	2.3
129.03439	1.5
133.02957	7.8
135.04558	2.6
137.02483	1.9
145.02966	14.3
147.00920	2.1
147.04572	5.0
161.02466	15.3
162.03152	1.6
163.00383	2.7
163.04016	7.8
164.07150	1.4
165.01996	1.7
169.01375	1.6
173.02475	14.2
175.00383	2.4
175.04066	3.5
177.01930	4.7
179.03503	1.8
187.00232	1.7
189.01959	19.7
190.02721	10.9
191.03520	33.7
193.01440	1.9
193.05124	2.0
201.01970	11.3
203.03575	3.7
205.01414	7.0
209.01018	1.8
217.01436	41.1
218.02036	7.3
219.02968	9.9
221.00900	2.1
222.01781	2.7
229.01476	7.1
231.03093	1.4
235.02475	6.8
242.99356	1.7
244.00174	1.6
245.00920	44.9
246.01459	2.4
247.02486	21.0
249.04044	1.4
257.00928	1.7
259.99570	2.6
263.01984	2.2
270.98901	2.6
273.00439	100.0
274.00845	4.7
275.01837	2.1
291.01749	1.5
298.98425	5.6
300.99951	4.0
391.06491	1.4
435.05899	2.3
489.10501	13.2
501.10364	2.0
515.07996	1.6
517.09845	18.4
518.10223	2.8
527.08307	5.2
543.07837	3.6
545.09399	64.3
546.09564	7.2
571.07141	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	589.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71474	2.4
69.13855	18.3
71.01403	3.9
85.02943	4.2
93.03486	2.4
95.01434	4.3
97.79051	2.0
104.85786	1.8
108.01550	2.1
108.02208	9.4
109.02981	13.5
117.03521	6.9
119.05051	3.3
121.02973	2.8
122.03794	2.5
122.57409	2.0
123.00923	4.0
127.27473	1.9
133.02998	8.9
135.04565	2.6
137.02480	5.3
145.02974	14.6
147.04544	6.2
157.02911	2.5
161.02441	17.3
161.04529	2.9
162.03314	3.8
163.04062	9.3
165.01982	3.1
165.05670	3.1
169.01471	3.0
173.02469	12.1
174.03252	2.4
175.04050	6.4
176.01187	2.4
177.01901	4.1
178.99953	2.2
179.03548	2.4
185.02454	2.9
187.00366	2.7
189.01971	27.5
190.02711	7.9
190.73659	2.1
191.03516	37.4
193.01453	2.3
200.01245	2.8
201.01973	12.6
202.02336	2.7
203.03506	3.9
205.01433	3.5
216.00610	3.7
217.01433	35.6
218.02081	3.4
219.03073	11.4
221.00871	3.1
229.01534	14.5
235.02534	8.8
242.99406	4.3
245.00900	40.3
246.01564	3.4
247.02486	26.2
261.00128	2.3
261.41422	2.4
263.01898	2.6
270.98944	6.7
273.00436	100.0
274.00665	3.5
298.98346	8.8
301.00040	4.9
302.90356	2.4
379.07077	2.5
386.51178	2.6
419.68741	2.4
489.10406	14.5
515.08295	4.3
517.09937	18.7
527.08661	3.7
543.07593	6.6
545.09424	85.4
546.10016	7.1
569.07147	2.5
571.07520	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	589.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84911	0.8
53.09367	0.8
54.50150	0.8
57.03462	0.8
69.03463	1.0
69.06591	8.7
71.01403	1.4
79.95735	1.1
96.96027	27.7
105.36399	0.9
107.01389	1.5
121.02935	1.4
123.00915	2.5
123.04532	1.2
125.02466	19.5
126.02812	1.2
137.02455	1.2
139.00351	1.0
141.01915	1.0
144.04543	1.2
151.00433	1.5
151.04033	1.6
163.04042	1.1
166.73230	0.8
167.03595	1.3
168.00684	1.3
169.01443	18.1
175.03975	1.9
177.01941	1.8
185.02435	1.0
190.02817	2.5
193.05063	1.6
201.01939	2.9
203.03526	3.6
211.02553	1.2
218.02113	1.2
219.03017	1.2
219.07745	1.5
229.01447	10.1
231.03111	1.2
247.02451	1.6
257.00943	8.7
258.01602	3.3
273.00366	1.1
274.01181	7.7
275.02008	100.0
276.02240	4.9
289.07260	1.5
313.05643	4.6
405.06497	0.9
437.07074	11.4
465.06543	7.9
589.07898	13.0
590.09192	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	589.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58266	2.5
55.57609	2.8
59.01395	3.0
59.01847	2.3
61.35987	2.6
61.98827	3.2
69.03450	3.2
69.04675	25.7
71.01376	10.7
78.95922	3.4
81.03423	2.5
85.02946	2.9
89.02515	3.0
89.72224	2.6
95.01396	6.1
96.96060	5.4
96.96980	4.9
97.02963	6.7
98.21767	5.0
107.01379	12.6
108.02190	20.8
109.02961	27.6
111.00890	4.6
113.02451	3.6
121.03024	2.7
123.00914	15.0
123.04501	6.8
124.01685	4.8
125.01534	5.2
125.02460	100.0
126.02856	3.2
137.02472	6.6
139.00415	6.1
139.04028	3.1
140.01138	5.1
141.01886	3.0
151.00378	9.9
152.01175	51.3
153.01974	48.9
163.03990	3.0
165.01981	4.9
166.99854	4.7
168.00674	15.4
169.01448	96.0
170.01816	4.1
172.28464	2.8
177.02046	5.0
179.03571	3.7
211.02495	8.7
241.84050	2.7
267.05084	9.5
271.04669	11.7
289.07159	5.6
297.06241	5.4
313.05801	2.8
362.20547	2.7
419.06165	38.7
420.06073	4.3
437.06686	12.6
437.11014	22.6
449.07239	24.1
453.09525	3.7
483.07816	3.7
571.08295	3.2
589.11249	76.6
590.11188	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	589.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95185	0.9
57.03495	0.8
59.01361	1.0
65.00322	2.4
69.03546	10.8
70.64654	1.2
71.01392	1.8
73.02971	1.7
75.72382	0.9
85.02949	1.8
89.04000	1.6
91.01932	1.4
95.01414	1.4
99.00894	3.5
101.02449	2.3
107.01397	2.5
109.02994	1.4
113.72942	1.0
117.01927	1.6
117.03491	3.7
125.02451	2.7
129.01961	2.2
129.03497	1.9
131.05043	1.1
133.02934	1.3
135.00919	2.1
136.93835	0.9
137.02455	7.9
139.00346	1.0
141.03471	1.7
145.02942	4.6
147.00903	1.8
147.04544	3.1
149.02441	2.2
149.99573	1.6
157.02966	3.9
159.04530	3.4
161.02470	2.4
163.00388	60.3
163.04037	2.5
164.01027	2.4
165.01891	7.8
169.01440	1.9
173.02443	5.3
175.03932	5.2
175.74506	0.9
177.01974	3.3
177.99063	2.8
178.99927	1.7
185.02484	8.7
187.04047	2.6
189.01949	3.9
190.02635	1.4
190.99905	4.1
191.03494	4.0
192.00635	1.1
193.01419	3.4
201.01978	11.6
202.02652	1.3
203.03467	11.7
204.04053	1.1
206.99342	5.9
208.00194	3.1
209.00912	5.5
213.01950	3.9
217.01477	4.5
218.99379	2.8
219.02988	3.7
229.01421	16.1
230.02126	1.3
231.02989	9.6
237.00424	3.0
245.00931	8.0
247.02455	5.8
249.04147	1.7
257.00943	50.1
258.01508	5.1
269.10406	1.4
273.00412	5.3
274.01157	2.1
275.01990	74.4
276.02362	3.7
283.99518	2.5
293.03119	2.7
299.98834	1.3
300.99915	100.0
302.00281	4.3
319.00934	4.1
329.13388	1.2
445.11362	1.2
459.09479	13.2
460.10049	4.9
461.10858	4.0
489.10431	5.7
499.12256	1.1
501.13937	1.8
527.12122	2.5
543.11835	2.2
545.13129	13.4
546.13159	1.7
571.10840	17.4
589.12018	29.6
590.12286	4.2
590.91791	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	589.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29608	1.4
57.03448	1.8
59.01385	2.9
61.98839	2.9
69.03455	6.2
71.01392	9.0
71.26435	2.3
78.91885	2.0
83.01383	1.9
85.02953	4.3
85.94376	1.6
87.33653	1.5
95.01403	4.5
97.02948	2.9
101.02432	1.9
107.01392	16.0
108.02192	6.9
109.02977	8.4
111.00897	4.0
113.02472	2.6
119.28589	1.6
119.53406	1.4
123.00884	30.4
123.04476	1.8
124.01707	1.7
125.02457	63.3
126.02739	1.8
127.00332	1.7
130.95453	1.6
134.11542	1.4
136.98807	1.6
137.02467	1.9
139.00362	8.3
139.11296	6.7
140.01149	3.8
141.01956	2.4
151.00380	16.6
153.09271	1.7
162.87059	1.6
163.00343	1.8
165.01955	1.9
167.03479	2.8
168.00667	4.3
169.01440	67.0
171.10361	1.8
175.04025	2.2
179.03519	4.3
183.10271	10.5
191.03473	3.0
193.01453	2.5
201.01817	2.8
203.03442	2.0
209.11868	1.6
211.02487	2.7
217.01541	1.6
223.02550	2.2
251.25456	1.6
257.01080	1.8
275.02045	1.6
295.04626	6.5
300.99899	5.4
313.05811	1.7
479.15622	100.0
480.15912	10.8
490.25055	2.0
589.19312	51.5
590.19751	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	589.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41095	0.4
57.97435	0.5
59.01389	11.6
60.42645	0.4
60.66178	0.4
64.66548	0.5
67.01884	0.7
68.87536	0.5
69.03467	1.3
69.03940	4.6
71.01388	11.1
72.99314	1.0
73.02946	1.5
78.59937	0.4
79.01880	0.8
81.03465	1.2
83.01402	0.8
85.02953	1.2
85.86627	0.5
87.00875	0.6
89.02459	11.9
93.03542	0.4
95.01392	1.9
96.96031	0.5
97.02949	2.1
98.22422	1.5
99.00883	2.3
101.02450	2.4
107.01405	6.2
108.02205	0.5
111.00851	1.0
113.02494	1.0
115.04028	0.8
123.00891	12.3
124.01655	0.5
125.02460	38.4
126.02805	1.0
131.03549	0.8
137.02432	1.2
139.00400	3.0
140.01189	1.5
141.01857	2.3
143.10785	1.7
146.56674	0.5
149.02489	0.5
149.04570	2.6
151.00388	7.9
160.80991	0.5
161.02556	0.5
163.00378	2.8
165.01918	0.9
166.02670	0.7
167.03535	1.1
168.00685	2.4
169.01440	49.7
170.01797	1.0
179.03526	1.2
183.02977	0.4
191.03532	0.7
193.01468	1.5
201.01938	0.7
211.02480	3.0
223.02478	1.4
229.01402	0.9
233.06659	0.5
245.01248	0.5
257.00952	2.5
275.01968	3.6
275.07809	0.7
300.99976	3.3
301.05704	0.5
319.17981	0.4
337.90851	0.5
427.08994	0.8
445.09918	100.0
446.10297	7.3
582.95245	0.5
589.02820	0.5
589.11780	1.2
589.20227	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	589.3028
Annotation	D-Urobilinogen
Peak:m/z	Relative Intensity
50.40106	0.7
50.52505	0.7
57.03448	9.1
59.01382	1.5
61.98835	2.1
63.19645	0.6
65.00321	1.6
65.03969	15.4
67.01887	7.3
68.99803	0.7
69.03459	11.3
69.19240	6.6
71.01031	0.9
71.01392	10.1
79.05534	2.6
81.03455	3.5
83.01394	9.0
83.05041	8.8
85.02978	0.8
91.05526	2.4
93.03448	5.1
94.87599	0.7
95.05030	2.7
98.21792	1.6
105.07136	0.9
107.05036	51.6
108.05376	1.7
109.02946	6.7
109.06601	4.0
111.04504	0.9
119.05048	2.6
119.35572	0.7
121.02944	0.9
123.04546	2.2
125.02456	99.6
126.02814	2.7
133.06601	8.8
134.03746	2.6
135.04559	4.4
135.64221	0.8
137.02478	0.9
137.06142	1.8
139.11256	0.9
141.09161	0.9
143.05017	1.6
147.08171	1.0
149.06107	5.3
151.04022	71.8
152.04366	2.7
159.08232	1.0
161.06068	2.2
163.04048	1.0
165.37515	0.8
175.03946	0.8
177.05569	43.4
178.02640	1.4
178.05966	1.8
179.03526	2.3
183.13905	0.9
193.05043	6.3
203.07159	1.7
205.05075	8.6
223.06155	2.7
238.94543	0.8
239.20215	4.5
279.23343	3.0
281.21289	2.2
297.80515	0.7
305.21210	1.5
307.22903	1.4
315.23489	0.9
321.24438	2.0
333.24414	1.7
347.26028	1.2
349.24030	2.8
357.24356	2.3
363.25378	0.9
365.23315	12.6
366.23761	0.9
375.25598	3.8
391.24976	2.7
393.22687	5.7
407.24707	1.0
419.24448	15.5
420.24722	1.8
427.24823	3.7
437.25470	9.6
445.26089	7.6
463.27176	6.2
509.28790	1.8
521.31787	0.9
526.31219	1.0
527.30139	2.1
545.31250	5.3
553.28430	4.4
569.17322	0.8
571.29218	6.1
589.30188	100.0
590.30481	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	589.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	9.1
58.60625	0.7
59.01396	0.8
61.98826	1.0
65.00319	2.0
65.03968	9.6
65.92691	0.7
67.01888	5.1
68.12238	0.7
68.99812	0.8
69.03458	9.7
69.42533	3.9
69.42947	1.5
71.01385	7.1
72.74844	0.8
79.05552	0.8
81.03469	11.7
83.01403	7.1
83.05048	5.9
89.03954	0.8
91.05551	1.5
93.03482	4.3
95.05041	6.0
97.06595	1.1
101.82692	0.7
107.01373	0.9
107.05044	27.4
109.02977	5.5
109.06588	1.9
113.09733	1.2
119.05042	2.6
121.02972	1.0
123.04535	2.5
125.02458	100.0
126.02800	1.9
128.34363	0.8
133.06609	6.8
134.03732	3.3
135.04546	4.0
137.06068	1.8
143.04999	1.8
149.06088	4.5
151.04018	72.5
152.04373	2.0
161.02446	1.2
161.06128	1.6
167.03491	0.9
169.01477	1.0
177.05585	37.8
178.02702	1.7
178.05984	1.8
179.03502	2.4
193.05064	10.2
205.05106	6.3
208.65201	1.0
223.06151	1.0
239.20198	3.4
279.23407	2.6
281.21188	1.7
305.21286	1.0
305.25055	1.0
306.50403	0.9
321.24133	1.0
333.24579	1.5
339.23300	1.0
347.26007	1.7
349.23877	1.8
357.24371	1.8
363.25531	0.9
365.23312	7.0
375.25421	2.8
391.24918	4.2
393.22864	4.4
407.24020	0.8
417.25647	1.1
419.24396	13.7
420.24728	1.0
427.24918	3.1
437.25424	8.2
445.25989	10.5
446.26755	1.6
463.26959	6.8
501.28485	0.8
509.28677	1.2
527.29694	1.6
545.31348	5.3
547.28784	1.0
553.27948	4.1
571.28882	5.9
589.30200	58.7
590.30566	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	589.3754
Annotation	LASALOCID
Peak:m/z	Relative Intensity
54.29824	3.4
59.01374	13.1
71.01379	9.6
71.25383	3.8
73.02926	8.3
88.06949	3.7
89.02464	12.3
252.01570	3.4
415.67133	3.5
514.54504	4.2
589.37555	100.0
590.37677	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	590.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87172	0.3
59.01369	0.3
61.98837	100.0
69.18661	2.4
89.02415	0.3
96.96048	0.8
98.22259	1.0
135.04533	0.3
195.33496	0.3
227.46996	0.3
263.38635	0.4
267.07867	0.3
274.90030	0.3
287.71436	0.3
300.02731	0.5
301.00024	0.4
301.03244	0.5
314.86459	0.3
390.11905	0.3
400.44516	0.3
481.15811	0.3
590.16125	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	591.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01791	21.8
60.48194	24.2
63.12411	22.9
69.66341	100.0
84.05456	23.3
88.98815	66.4
91.41609	24.8
133.24864	25.7
149.00948	49.6
163.04016	39.5
168.90973	26.9
271.22311	24.1
380.56281	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56735	1.1
63.02389	1.1
65.00314	1.8
66.77415	1.0
68.46909	1.0
71.01380	2.9
73.02956	1.3
83.01392	1.4
85.02960	2.9
89.04026	1.0
89.56348	1.0
91.01934	2.3
93.03485	1.2
95.01446	1.5
99.00898	1.4
101.02477	1.5
107.01393	2.9
108.02182	7.1
109.02962	9.3
113.02448	1.4
117.01977	1.3
117.03480	2.5
117.91369	0.9
119.01414	1.1
119.05047	1.5
123.00883	2.5
125.02477	3.3
129.01956	1.8
129.03471	1.1
133.02959	1.8
137.02469	12.0
145.02979	4.7
147.04539	4.3
148.10912	1.0
148.95963	1.1
149.02409	2.9
152.01176	3.7
153.01950	2.5
157.02960	3.2
159.04523	3.4
161.02481	1.8
163.00389	43.2
163.04082	3.1
164.01183	1.7
165.01939	9.4
169.01375	2.3
173.02480	4.8
175.04002	3.0
177.01944	2.6
177.99161	1.4
178.99808	1.2
185.02446	7.4
187.04085	2.1
189.01993	2.2
190.02777	1.6
190.99837	5.3
191.03564	4.6
191.98685	1.1
192.00728	1.4
193.01398	5.5
200.01193	1.3
201.01939	11.1
202.02638	1.5
203.03503	10.3
205.05023	2.3
206.99414	3.5
208.00128	2.2
209.00906	6.8
213.01942	4.9
217.01418	2.4
218.02051	1.5
218.99355	2.6
219.03052	2.7
229.01433	15.6
229.73947	1.1
230.02007	1.4
231.02992	9.2
233.00864	1.0
237.00385	3.1
243.06909	1.2
245.00981	6.9
247.02579	6.8
249.04207	1.9
257.00937	38.9
258.01453	4.3
264.29227	1.2
271.08401	1.6
273.00513	6.8
275.01999	67.3
276.02353	3.6
281.13138	1.1
283.99753	2.3
293.03067	2.1
299.99234	2.3
300.99921	100.0
302.00284	4.4
319.01044	2.8
367.26068	1.3
387.23361	1.2
447.09360	2.0
461.07440	7.2
462.07932	3.1
463.08942	3.5
491.08200	6.0
503.12320	1.7
504.93610	1.3
520.89575	1.2
529.09985	2.2
545.09534	6.5
546.09998	1.2
547.11115	10.0
548.11340	1.7
563.10718	1.3
567.30914	1.3
573.08990	21.5
574.09271	2.9
591.09448	22.9
592.10303	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	591.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19888	2.2
52.39295	2.0
55.51712	2.2
59.01372	3.2
60.99313	17.6
61.98827	8.7
69.09750	13.3
69.10179	7.7
83.64838	2.2
86.63912	2.3
87.48228	2.6
88.98817	100.0
109.84258	2.6
123.00856	3.2
125.02441	5.8
151.00383	2.2
169.01373	7.8
171.10260	3.8
190.13348	2.3
218.78462	2.8
301.18622	2.4
456.71408	2.9
591.24500	20.8
592.25549	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.136
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00352	1.7
68.65168	1.6
69.11701	5.9
69.12124	8.5
108.02187	69.7
109.03024	11.1
125.02452	5.9
133.02995	2.2
137.02405	3.1
151.03972	2.3
151.99983	3.4
152.01167	55.2
153.01970	26.7
161.02516	1.7
163.03995	2.1
187.20274	1.9
258.62561	1.7
285.06210	100.0
286.06519	5.5
305.07135	2.9
456.27652	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	591.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38385	4.0
57.03452	4.3
57.32568	4.2
68.97447	34.2
68.97855	9.9
70.23421	4.0
72.18786	4.1
72.99308	23.2
76.47736	4.0
85.02976	22.6
88.21336	4.0
98.21795	10.4
99.08148	6.1
109.50560	4.2
111.00888	13.0
111.26367	4.6
113.06077	5.8
115.07666	57.8
119.62248	4.5
125.02441	8.4
129.01982	6.7
129.05605	39.8
143.07176	29.8
169.01427	5.4
200.55554	4.2
205.03494	18.1
205.05217	7.2
205.07179	99.3
206.07651	5.1
223.04613	100.0
266.75058	4.6
283.34866	4.9
607.99799	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	591.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
56.65179	0.6
57.03448	0.9
58.00583	0.7
59.01384	11.2
61.98831	1.3
68.83466	0.6
69.03471	1.2
69.35499	3.9
71.01388	28.6
72.99329	0.9
73.02953	6.0
79.01894	1.0
83.01418	2.5
85.02959	9.0
87.00886	3.5
89.02451	11.1
92.44166	0.5
94.25037	0.5
95.01394	1.7
97.02961	1.2
99.00906	2.1
101.02449	7.8
107.01405	2.6
111.00894	1.0
113.02475	2.8
119.03558	0.7
123.00904	7.1
125.02475	7.6
131.03511	12.8
135.04532	4.7
137.02518	0.6
139.00415	2.6
140.01166	1.8
141.01964	0.6
144.49712	0.6
149.04625	1.6
151.00388	4.8
161.02438	0.7
163.00412	1.0
166.32292	0.6
168.00752	1.1
169.01443	7.6
171.10287	1.7
177.02008	0.5
179.03543	6.6
190.02794	0.6
191.03622	1.5
191.05646	6.2
201.11325	2.4
203.03445	0.5
210.41687	0.6
214.97658	0.6
215.03561	0.6
219.03056	1.9
243.02933	0.7
244.82233	0.6
255.03036	1.9
263.01938	1.8
271.02475	3.3
275.01959	0.7
279.12387	0.6
297.13440	1.3
300.02740	7.3
301.00262	1.0
301.03629	2.4
302.00256	0.6
327.17645	0.6
341.85220	0.6
419.68491	0.5
459.18668	1.4
463.08905	0.9
505.09933	1.8
531.28326	0.8
591.23071	100.0
592.23468	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	591.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62292	0.8
59.01385	6.9
61.98816	1.8
68.99567	7.2
69.03453	0.8
71.01390	8.8
71.26792	1.4
72.66840	0.6
72.99297	0.9
73.02944	2.8
75.00854	0.6
77.04888	0.6
81.03453	0.8
83.01371	1.1
85.02959	2.9
87.00900	0.7
89.02450	4.5
92.78967	0.8
95.01387	1.9
97.02952	0.8
99.00880	3.8
101.02463	5.1
107.01398	7.7
110.00040	0.6
111.00862	2.1
112.98564	6.1
113.02449	2.2
116.92845	1.2
119.03500	0.9
123.00899	7.0
124.01709	1.2
124.30260	0.6
125.02459	32.3
126.02820	1.2
127.00351	1.3
131.03514	0.8
135.04504	0.8
136.98831	2.1
139.00342	3.7
140.01164	3.2
141.01981	1.8
149.02473	0.9
151.00400	6.2
161.04631	1.2
168.00632	2.2
169.01440	27.7
170.01730	1.5
171.10280	0.9
191.05521	0.8
223.06082	1.4
243.03029	0.9
255.03116	0.7
271.02408	3.0
279.12323	1.8
297.13400	2.8
299.01859	0.8
299.99683	1.1
300.02798	10.4
300.99777	1.7
315.05197	7.3
399.23795	2.0
428.99350	0.9
430.46356	0.7
430.59183	0.7
459.18637	8.2
477.10519	8.9
478.10718	1.4
531.28040	7.5
532.28241	1.5
591.22968	100.0
592.23315	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	593.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30630	0.6
54.98312	0.6
59.01384	0.6
61.43074	0.6
63.00016	0.6
70.41348	0.7
72.37666	0.6
74.77374	0.7
79.94153	0.8
99.92597	13.4
112.87288	0.7
114.71532	0.7
116.92876	100.0
117.92886	4.6
125.02496	3.7
169.01402	3.2
185.93869	0.7
251.03883	0.7
269.04654	1.0
271.02438	1.0
289.07169	1.5
300.02817	2.2
310.07495	0.9
312.12411	0.8
313.12784	0.9
315.05252	1.2
430.13046	1.9
436.64066	0.8
456.10852	2.2
477.10745	1.2
488.21854	0.9
514.99261	0.8
593.19373	9.2
594.19910	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	593.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64948	0.5
69.08252	5.6
80.97944	0.5
99.92599	11.6
116.92873	100.0
117.92874	4.6
122.44556	0.5
125.02451	0.8
133.14581	0.5
141.48323	0.6
147.91623	0.6
475.08859	1.2
575.01563	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	593.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
58.66334	1.1
59.03228	0.9
67.01880	1.4
67.78435	1.0
68.96577	1.0
68.96928	12.3
69.03468	1.2
71.63128	1.1
81.03431	2.3
83.01389	2.4
95.01381	1.5
97.02968	2.4
109.02948	10.8
111.00948	1.3
121.02980	1.6
123.00879	3.2
123.04523	5.7
124.01680	1.2
125.02460	100.0
126.02760	1.9
133.93636	1.1
134.03880	1.1
135.04562	3.1
137.02477	11.3
139.03947	2.0
145.02943	13.3
146.03748	1.1
149.02449	4.4
151.00273	1.6
151.04010	4.8
152.53195	1.1
159.04553	3.0
161.02487	1.1
161.06065	3.9
164.01149	2.0
165.01984	2.2
166.99762	1.4
168.00659	1.4
169.01439	80.7
170.01752	1.6
175.03938	1.4
177.02023	1.7
179.03482	2.2
185.06055	3.2
187.04019	2.6
188.04843	2.2
193.01483	6.2
199.07713	1.4
201.05594	1.5
203.07130	8.9
205.05092	3.4
221.08134	1.2
227.07097	3.7
229.05016	1.2
245.08212	8.0
253.05106	2.5
259.06091	1.8
271.06137	34.9
272.06522	3.0
274.01221	3.4
275.01984	2.6
287.01984	3.9
289.07220	40.0
290.07501	3.0
303.05051	2.5
308.77737	1.1
331.04590	4.3
348.58969	1.2
362.49396	1.1
423.07245	25.2
424.07239	2.5
441.08264	52.5
442.08517	4.6
593.09308	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	593.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.5
61.98829	0.9
67.01898	1.0
69.03469	1.2
69.13187	4.2
69.13605	3.4
81.03490	1.2
83.01405	1.6
89.02422	0.9
93.42992	0.8
95.01420	1.1
95.05075	1.1
96.96049	1.9
97.02969	3.5
98.22506	1.8
107.01399	1.3
109.02971	9.6
111.00897	1.1
121.02956	1.7
121.95078	0.8
123.00922	1.9
123.04510	4.2
125.02459	64.7
126.02808	1.7
137.02451	7.7
139.04013	1.2
145.02968	2.3
149.02466	3.3
151.00407	1.0
151.04036	5.0
159.04576	1.5
161.06136	1.7
165.01939	2.2
166.99835	1.2
167.03574	0.9
168.00714	1.4
169.01440	100.0
170.01790	3.6
175.04004	0.9
179.03488	3.0
187.03964	2.2
188.04893	1.1
193.01466	5.1
202.06430	1.2
202.11237	0.9
203.07130	4.8
205.01379	1.3
205.05150	2.8
221.08202	1.6
227.07225	1.0
233.36375	0.9
245.08215	7.8
253.05307	0.9
253.08873	0.8
269.13898	1.2
271.06186	7.8
289.07199	40.4
290.07480	2.3
303.05194	2.4
331.04532	1.1
338.47107	1.0
423.07257	2.4
439.40887	0.9
441.08295	50.8
442.08713	4.7
442.13730	0.9
460.06848	0.8
593.09094	3.5
613.39508	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	593.1302
Annotation	Apigenin 7-(6''-E-Caffeoylglucoside)
Peak:m/z	Relative Intensity
55.84496	0.6
57.80632	0.6
59.01387	4.8
61.98823	1.2
63.02378	1.4
65.00323	0.6
71.01386	6.7
71.26163	1.1
73.02919	1.2
81.34081	0.6
83.01369	0.8
85.02938	2.2
85.88530	0.6
89.02435	1.9
95.01335	0.9
98.15253	0.6
100.14741	0.6
101.02460	3.3
104.36895	0.7
107.01410	1.7
108.02302	0.6
111.56628	0.6
113.02444	1.9
116.92842	1.3
117.03477	4.9
119.03482	1.2
121.02990	1.0
125.02457	2.0
132.02159	1.0
133.02959	12.7
134.03758	0.9
134.65660	0.7
135.04541	11.2
149.02473	1.5
151.00433	1.6
159.04541	1.6
161.02458	32.8
162.02786	1.3
169.01459	2.4
177.05632	1.9
179.03520	7.7
190.02760	1.3
197.06120	1.0
203.03435	0.9
205.05075	1.0
209.11768	1.0
221.04639	2.6
227.03577	1.0
263.05673	0.8
269.04572	100.0
270.04913	7.0
282.25021	0.7
297.77573	0.7
323.07748	25.7
324.08035	1.2
387.16470	3.6
593.13086	34.1
593.27991	13.2
594.13391	6.2
594.28284	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	593.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	15.3
57.13108	1.2
69.26936	4.4
69.27357	5.1
81.03471	1.9
83.01401	3.9
92.90972	1.3
93.03475	4.3
95.05041	3.4
96.96034	4.6
97.02995	3.8
107.05004	1.2
109.02963	22.1
121.02967	7.7
123.04537	15.7
125.02457	96.1
126.02793	3.7
133.02980	2.1
135.04515	1.9
137.02460	21.3
138.03146	1.1
139.04047	3.3
142.95506	1.2
144.23077	1.4
147.04497	2.0
149.02440	16.8
151.04033	13.7
158.03769	1.3
159.04565	3.1
161.02466	3.8
161.06154	3.8
163.04037	3.3
164.01189	3.6
165.01941	5.7
167.03473	2.5
175.04025	11.1
175.07593	1.9
177.01945	100.0
178.02336	3.7
179.03502	4.4
185.06151	2.5
187.04056	7.9
188.04799	4.5
193.05089	1.2
201.05499	2.0
202.06305	2.1
203.07137	10.1
205.01445	1.9
205.05080	7.0
211.04039	2.0
213.05600	1.6
214.02744	1.8
217.05005	2.0
221.08263	1.8
227.03563	2.6
227.07095	2.0
229.05008	4.0
230.05713	1.8
231.06509	1.3
243.02991	3.2
245.08165	11.9
247.06252	2.1
255.03001	10.5
256.03598	6.3
257.04590	3.7
261.03928	2.3
273.03967	6.0
281.04553	3.4
283.02539	2.4
285.04074	3.8
289.07211	62.4
290.07596	5.0
303.05176	7.8
315.05145	3.7
339.08804	4.7
381.09607	2.0
407.07764	68.5
408.08191	6.8
425.08862	28.2
426.09180	2.3
441.08261	2.1
467.09787	7.0
593.12921	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	593.1305
Annotation	Catechin-(4alpha->8)-gallocatechin
Peak:m/z	Relative Intensity
55.55727	0.9
57.03456	11.2
58.16302	0.9
69.03458	0.9
69.15244	2.1
69.15644	7.6
70.38573	0.8
72.91703	0.8
81.03471	2.1
83.01400	2.6
89.26592	0.9
93.03474	1.6
97.02980	2.8
107.05000	1.1
109.02964	13.3
111.04560	2.3
121.02993	2.5
123.00900	1.7
123.04552	3.9
124.01692	1.5
125.02460	100.0
126.02768	2.2
133.03006	3.8
135.04553	1.2
137.01465	1.9
137.02466	24.1
138.03212	1.9
139.04027	12.4
147.04527	1.6
149.02478	3.6
151.04059	5.1
159.04568	1.9
161.02458	15.6
161.06097	1.2
161.23152	0.9
162.03218	1.1
163.00352	1.3
163.03993	2.1
164.01180	5.0
165.01955	9.9
167.03506	10.4
173.06073	1.1
174.03198	1.0
175.04054	6.1
177.01938	21.5
177.05516	2.3
178.02556	1.9
179.03552	10.4
185.06006	1.0
187.03979	3.0
191.03528	1.4
199.04044	2.4
201.05586	2.7
203.03563	3.3
203.07162	2.3
204.04263	1.3
205.01408	3.3
205.04984	2.1
205.97359	0.9
211.04034	1.7
212.04893	0.9
215.03523	2.6
217.05139	2.5
219.06644	8.0
221.04584	4.4
227.03722	1.1
228.04500	1.3
229.05074	2.4
229.07283	0.8
243.02968	5.6
243.06677	1.1
245.04575	5.5
246.05006	1.0
253.05013	1.5
255.03029	13.5
256.03745	3.8
257.04590	2.6
261.07837	2.1
269.04562	4.4
273.04080	2.9
283.02472	6.8
285.04083	2.4
287.05615	6.8
289.07187	9.1
297.04007	4.7
299.05655	3.3
303.05371	1.1
305.06699	67.5
306.07120	3.4
345.06366	1.1
386.75439	1.1
397.09427	1.6
407.07825	3.9
423.07236	58.4
424.07477	6.4
425.08875	4.8
441.08249	5.8
467.09909	12.4
468.10153	2.3
575.11713	1.6
580.91431	0.9
593.13141	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	593.1308
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
57.03455	12.3
60.99304	2.9
61.98828	1.7
65.03947	0.9
69.56470	1.5
69.56875	3.6
79.68397	0.8
81.03472	2.7
83.01378	5.3
88.98817	23.5
89.66901	0.7
93.03472	4.1
95.05025	2.8
97.02973	3.0
98.21759	1.2
104.00996	0.9
105.03487	1.2
107.05038	1.8
108.02174	1.3
109.02965	19.9
109.14901	0.7
111.00889	1.0
118.47912	0.7
119.05110	0.8
121.02983	7.2
123.00912	2.0
123.04550	9.0
124.01673	1.5
125.02463	100.0
126.02820	2.8
126.94434	1.2
133.01422	1.4
133.02977	2.3
135.04556	2.2
137.01460	1.7
137.02466	23.1
138.03191	1.3
139.04018	7.2
145.02946	1.5
145.06624	1.0
147.04541	1.0
149.02460	8.9
151.04024	10.8
159.04567	2.0
160.05333	0.9
161.02446	8.5
161.06113	3.0
162.03252	1.1
163.00424	1.5
163.04027	3.2
164.01205	3.8
165.01970	8.1
166.02586	1.0
167.03494	6.7
169.01437	1.2
173.06139	2.2
175.04001	11.2
176.04436	0.8
177.01950	73.0
178.02382	3.4
178.97687	0.8
179.03510	6.5
185.06126	0.8
187.04071	6.4
188.04778	2.6
189.02026	1.2
189.05573	1.0
191.03539	1.3
192.66615	0.9
201.05621	1.8
203.03583	2.4
203.07167	5.0
205.01524	1.9
205.05037	5.1
211.04054	3.0
213.05614	1.8
215.03557	2.1
217.05101	2.6
219.02943	0.9
219.06662	3.0
221.04625	1.3
222.72134	0.8
227.03571	1.6
227.07112	1.0
228.04195	1.3
229.05093	2.8
243.02982	3.2
245.04579	3.6
245.08214	8.0
247.06143	1.4
255.03027	12.8
256.03775	5.6
257.04507	2.3
261.04111	1.1
269.04535	1.8
273.04071	4.7
281.04669	3.0
282.01816	1.3
283.02573	5.7
284.03012	0.9
285.03970	1.8
287.05688	2.7
289.07220	46.2
290.07678	2.1
297.04077	3.2
298.04755	1.0
299.05585	1.1
303.05057	5.9
305.06702	26.5
306.07126	2.5
315.05157	0.9
339.08804	2.5
381.09717	1.5
397.09161	1.1
407.07745	46.0
408.08463	4.0
423.07156	21.5
424.07568	2.9
425.08829	22.0
426.09167	2.0
437.08722	1.0
441.08188	5.2
449.08701	1.0
467.09717	8.2
468.10287	1.1
593.12988	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	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66532	0.2
59.01390	0.2
61.98818	0.2
70.39085	0.3
73.08024	0.2
77.03990	0.5
85.40254	0.2
91.01915	0.3
93.03465	0.3
98.21883	0.3
114.64832	0.2
120.02164	0.4
121.02971	100.0
122.03310	2.9
136.01663	0.3
147.04552	0.2
154.38322	0.2
165.01942	4.8
180.05843	0.5
181.06566	2.3
197.06078	1.8
198.06451	0.2
207.04541	0.6
207.08156	0.3
209.04567	54.6
210.04887	2.0
223.03940	0.3
225.05640	1.7
226.05925	0.2
232.29869	0.2
251.07245	0.3
257.09769	0.6
301.08951	0.2
313.07217	1.6
329.08362	0.2
357.06250	0.8
373.10843	0.2
383.07813	0.9
417.09949	0.9
505.11490	2.6
506.11578	0.4
549.10449	6.3
550.10791	0.7
570.13837	0.2
584.46075	0.2
593.13080	8.2
594.13428	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51747	0.5
52.35836	0.5
52.85263	0.5
54.95724	0.5
57.03451	10.0
61.98835	1.0
63.13918	0.5
64.94254	0.6
65.00334	1.0
68.99832	0.9
71.01385	0.6
78.95910	1.5
81.03463	1.2
81.04167	0.5
83.01385	5.8
97.02977	0.5
107.01422	2.6
108.02174	1.0
109.02948	1.8
117.24478	0.6
123.00890	0.6
123.04520	1.2
123.74918	0.7
125.02455	100.0
126.02779	2.3
137.02525	0.5
149.02428	2.9
151.00386	9.4
151.04051	0.9
153.01947	24.0
154.02301	0.8
163.00333	0.5
165.01860	0.8
169.01421	5.2
177.01875	0.6
178.99899	4.8
191.03578	0.7
197.00928	1.6
243.03114	0.7
251.12906	1.2
255.02980	1.1
265.00800	0.5
271.02301	2.6
287.07761	0.9
299.12759	0.9
300.02750	4.0
301.03543	4.9
302.04257	0.5
317.13718	1.2
379.48099	0.5
395.02560	0.6
395.17221	1.8
423.18063	0.8
441.19180	3.8
481.74042	0.5
521.20386	5.7
593.13159	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	593.1932
Annotation	Cannabisin A
Peak:m/z	Relative Intensity
70.31277	1.1
70.31615	0.7
71.90864	0.5
99.92605	2.1
116.92872	16.2
117.92886	1.1
118.21387	0.7
125.02454	2.3
125.77144	0.5
142.91704	0.5
169.01495	1.2
193.25130	0.5
203.10786	0.5
211.07567	0.6
235.04012	1.1
236.04793	0.6
236.07135	0.5
237.05597	2.1
238.06445	0.7
239.07124	0.8
247.04131	0.8
248.04842	0.9
249.05608	1.0
252.06801	0.9
263.03452	5.8
264.04184	1.7
265.05142	6.0
266.05756	1.5
267.03586	0.9
267.06586	5.4
268.06958	0.7
269.04538	5.2
270.05112	1.0
277.05106	0.6
279.06595	0.6
280.06189	0.5
290.87662	0.5
291.03006	2.5
292.03403	0.7
292.06238	2.4
293.04517	6.4
294.04868	0.7
294.07788	1.4
295.02496	4.2
304.06152	1.3
308.05746	0.7
310.07285	3.2
320.05661	3.4
321.06430	1.1
322.07202	9.3
332.05652	1.0
335.06979	0.8
336.05231	1.9
348.05026	2.6
381.04941	2.4
402.13284	0.7
412.11902	1.2
428.11386	2.4
429.12231	0.9
430.06885	0.8
430.12930	16.5
431.13446	1.5
456.10931	23.0
457.11349	2.6
578.87402	0.6
593.19330	100.0
594.19641	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	593.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22355	10.3
70.25918	26.7
70.26320	25.3
78.95910	67.6
152.99590	100.0
153.84647	11.2
160.44757	12.7
192.38829	10.0
192.44293	14.6
234.46213	13.4
241.01137	17.9
243.59583	12.6
244.45204	13.6
277.21762	45.5
468.52753	14.6
593.27814	79.0
594.27679	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	593.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72578	0.9
59.01372	1.6
60.77650	1.2
78.95911	67.6
81.50518	0.9
84.74883	0.9
96.96980	12.8
134.49098	1.0
136.43236	0.9
152.99603	100.0
154.00034	1.5
171.00674	2.8
223.00148	11.1
241.01218	26.4
259.02258	2.3
265.65207	0.9
277.21768	49.7
278.22095	2.7
287.30603	1.1
315.04898	20.8
333.06012	2.0
593.27374	74.8
594.27838	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	593.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
62.80959	0.9
62.89268	0.9
62.98352	0.9
78.91875	5.8
83.05014	4.1
99.50420	1.1
132.72131	1.0
135.08206	1.3
141.09216	1.2
158.31290	1.0
163.11327	5.3
165.12822	4.1
166.38806	1.1
167.14412	2.2
171.10266	7.7
181.12350	2.3
209.11848	100.0
210.12192	4.9
211.13429	2.6
221.15468	2.5
227.12909	14.8
247.20520	1.9
273.18585	2.2
291.19678	23.6
292.20187	1.4
309.20740	54.5
310.21173	3.2
325.85989	1.1
329.21191	3.1
352.03244	1.2
365.23041	1.7
383.24457	1.5
500.46469	1.2
575.35913	1.6
593.36603	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	594.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52448	3.6
61.98830	44.9
64.86975	3.0
71.01372	5.0
71.26792	6.1
71.27132	3.5
81.03471	3.9
93.67504	3.2
108.02182	6.5
109.57941	3.4
125.02475	16.7
142.21741	3.5
151.00369	9.6
169.01410	15.6
178.05142	20.5
212.56332	3.3
219.91525	3.9
222.04092	12.3
243.02972	8.1
255.02966	27.7
271.02496	51.4
272.03128	7.2
300.02786	100.0
301.03497	25.2
317.45209	3.6
517.67523	3.6
531.11481	84.3
532.11755	10.3
593.28656	3.7
595.31360	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	595.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66960	0.1
59.01387	0.3
60.09904	0.2
61.98823	0.4
62.24124	0.1
68.96503	0.1
69.24485	0.6
69.24910	0.7
97.02985	0.2
99.92593	9.1
100.92602	0.4
101.61359	0.2
103.01512	0.2
108.02216	0.2
109.02969	3.3
114.93459	0.2
116.92873	100.0
117.92887	4.0
117.93610	0.1
123.04523	0.3
125.02451	1.6
139.04021	0.3
147.04552	0.4
159.04558	1.9
161.02501	0.2
165.01917	0.3
167.03496	0.4
168.00787	0.3
169.01445	1.1
183.02917	0.2
202.05107	0.6
214.05110	1.0
237.05736	0.2
247.37564	0.2
254.05896	0.7
255.02879	0.2
267.06558	0.4
267.86374	0.2
269.05243	0.4
269.08203	8.5
270.08618	0.4
271.02512	0.3
273.02774	0.2
299.99469	0.2
300.02802	0.8
300.99960	3.0
301.03345	0.3
315.05148	0.5
322.07257	0.3
322.10867	3.5
323.11029	0.2
324.36987	0.2
430.13031	0.5
431.13602	0.4
432.14465	2.6
477.10605	0.7
485.17297	0.8
595.12738	0.3
595.20966	8.7
596.11462	0.3
596.21313	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	595.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01493	3.5
60.99305	13.6
61.98829	11.0
63.78031	3.6
71.25243	7.9
73.13473	3.4
73.53854	3.4
76.93797	3.6
88.98815	96.1
91.48414	3.7
91.59478	3.5
99.58053	4.1
107.01366	4.1
114.84015	3.4
125.02449	11.5
128.50893	3.6
144.03377	4.1
151.00450	8.3
153.01942	3.8
169.01462	12.7
227.78271	3.8
243.02972	5.7
255.02951	24.0
263.81003	3.9
271.02557	50.3
272.03091	5.3
287.84494	4.6
300.02792	100.0
301.00266	5.5
301.03482	37.5
301.06796	6.1
505.09967	96.6
506.10028	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	595.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90049	2.7
60.99313	12.7
61.98829	15.0
64.65314	3.6
68.99613	3.2
70.16499	6.6
71.01397	5.6
83.01353	2.6
85.02913	2.7
88.98813	71.0
125.02454	11.8
151.00392	9.6
161.84724	2.7
166.63472	3.0
169.01456	10.7
178.99911	7.4
209.64790	3.5
243.02910	5.3
247.02592	4.0
255.03070	18.2
263.13110	3.1
271.02502	42.3
275.02124	6.0
300.02783	79.6
301.00015	8.0
301.03516	34.5
390.92999	3.3
505.09915	100.0
506.10233	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	595.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10070	0.3
55.17856	0.3
55.61938	0.4
58.01384	0.3
59.01385	0.6
63.02397	1.1
65.00317	2.3
68.21108	0.4
71.01382	0.5
83.01399	2.1
89.49451	0.4
93.03482	0.4
98.22567	0.6
98.45284	0.4
107.01407	6.6
108.02248	0.4
109.02966	1.0
121.02972	5.2
125.02470	2.3
137.02441	0.4
139.04031	0.5
148.01665	0.6
149.02518	0.5
151.00377	28.8
152.00714	0.5
159.04538	0.5
161.02567	0.6
163.00375	1.6
164.01172	0.7
169.01418	3.1
170.01666	0.4
178.99873	12.9
180.00278	0.8
187.04021	0.6
191.12129	0.4
192.00650	0.4
193.01454	0.7
201.05600	0.4
211.03929	0.5
218.77739	0.3
223.96021	0.4
226.02728	0.6
227.03468	0.9
228.63200	0.4
229.05098	1.3
243.02997	3.6
244.03590	0.5
245.04596	1.1
254.02249	1.0
255.03006	9.1
256.03674	0.5
271.02490	19.4
272.03098	1.8
273.04123	1.4
276.33069	0.4
283.02451	0.8
299.02075	1.6
300.02780	37.9
301.03555	100.0
302.00748	0.6
302.03943	7.2
314.89774	0.4
433.07785	38.5
434.08069	4.0
463.02280	0.7
463.08820	13.0
464.09137	1.4
595.12909	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	595.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40622	0.2
59.01374	0.4
61.98834	0.3
63.16912	0.3
69.03469	0.5
71.28045	0.4
78.95904	0.3
79.95747	3.1
80.15931	0.3
88.98823	1.6
89.34976	0.3
92.11916	0.3
96.96020	100.0
97.02956	0.4
108.88824	0.3
109.02950	1.9
116.46676	0.3
116.92879	0.4
119.05019	0.4
125.02449	6.1
129.48576	0.3
137.02452	1.0
140.37006	0.3
146.24170	0.3
153.29109	0.3
163.03996	0.3
169.01440	10.4
194.95992	0.4
212.97125	0.4
222.99303	0.6
224.97107	0.4
226.95168	0.4
254.98134	0.4
266.98123	2.6
283.44943	0.3
297.36307	0.3
301.03683	0.4
369.01498	0.3
391.07257	0.6
429.03748	1.3
497.08966	0.3
497.16949	1.1
595.39954	0.7
616.52924	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	595.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17931	7.5
74.02472	70.0
98.02506	17.2
104.31942	7.4
116.02820	7.8
116.03558	46.7
121.58902	7.4
132.04547	25.8
201.06741	12.1
222.82899	7.6
261.08838	100.0
299.13174	8.5
347.57034	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	595.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45429	2.0
65.00331	2.6
69.45906	12.4
71.01367	2.1
81.03459	3.6
83.01382	5.8
89.85795	2.4
93.03471	7.1
96.96066	2.8
97.02978	6.0
98.21832	3.7
101.02460	2.6
105.19878	1.9
107.01428	9.6
109.02988	3.2
116.92838	3.3
117.03507	3.5
119.05046	37.2
119.05838	3.5
121.02965	6.5
123.00922	5.4
123.04535	5.1
125.02473	23.4
135.04530	2.2
137.02464	10.4
139.04033	6.5
143.05023	7.2
145.02954	10.1
147.04535	2.9
149.02467	8.1
151.00426	9.1
151.04019	5.3
154.83803	2.3
161.02438	3.5
163.00418	4.6
163.04027	3.8
165.01952	5.6
167.03566	11.7
167.04834	2.4
169.01451	23.5
173.19176	2.4
175.04059	5.5
177.01962	8.5
177.05583	2.1
179.03482	4.5
187.04062	8.9
191.03520	5.6
193.01405	10.2
193.08856	2.3
197.04565	4.3
199.03912	3.2
199.07637	3.2
205.01457	8.6
207.03041	4.3
209.04625	5.3
214.31796	2.1
219.03053	3.5
223.02431	2.1
227.07271	4.5
235.02512	13.3
243.03015	2.7
245.04572	2.6
249.03937	2.5
265.03549	7.3
265.08716	2.6
270.98871	24.1
271.02463	12.6
271.06094	5.0
283.06125	2.5
289.07169	2.9
298.98361	27.4
299.02029	23.1
299.99161	100.0
300.02386	5.7
300.99689	11.5
301.03577	17.7
313.07373	18.4
325.07214	8.0
343.08325	5.3
355.08286	88.3
356.08667	6.2
385.09314	74.6
386.09631	6.6
397.09280	5.1
415.10336	26.6
416.24316	2.3
425.05719	2.6
427.09909	3.3
433.04050	20.3
434.04294	2.8
457.11356	11.8
462.08371	4.1
463.09067	8.5
475.12576	38.5
476.13324	2.6
479.12027	4.3
487.12659	6.2
505.13696	9.8
506.13245	2.4
507.15091	5.2
533.13000	9.2
577.15118	2.3
595.09454	60.7
595.16675	68.5
596.09595	7.0
596.17273	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	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54806	1.0
57.03420	1.1
58.00578	1.1
59.01388	33.5
68.93533	1.0
69.06306	3.5
69.06722	6.0
71.01389	17.0
72.99308	1.9
75.77144	1.0
80.89584	1.1
83.01408	2.0
85.02969	4.9
87.00887	1.5
89.02455	17.9
99.92614	8.7
101.02447	13.0
113.02460	6.7
116.92873	100.0
117.92883	7.7
119.03544	5.9
123.00882	2.3
125.02444	4.6
126.02742	0.9
137.02437	2.1
138.03268	2.2
139.00343	1.5
143.03500	1.1
145.60959	1.1
147.04556	1.5
151.00401	6.5
153.01949	5.6
153.05548	1.8
158.03749	2.1
159.04536	2.8
160.05313	4.7
161.02496	1.5
161.04634	1.2
166.02736	13.0
169.01463	3.7
173.06108	4.8
175.04018	8.7
175.07678	3.4
178.02762	1.0
179.05656	2.1
181.05099	24.6
182.02121	1.3
182.05493	1.2
188.04767	1.8
189.01933	1.2
189.05602	1.5
190.06337	6.2
194.06129	1.3
202.02681	4.2
203.03517	8.6
204.04343	2.2
205.08656	5.5
217.05139	5.0
218.05861	8.3
219.06621	1.7
233.08217	14.6
309.03870	1.5
339.08679	3.6
354.11197	1.2
355.08353	5.7
370.10379	5.4
377.20163	1.3
385.12967	34.4
386.13409	3.9
397.12967	2.3
415.13925	10.0
444.85181	1.3
514.08435	1.2
595.20367	78.1
596.20740	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	595.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06622	0.9
57.03464	2.2
58.00583	1.8
59.01388	35.5
61.98836	2.0
66.85619	1.3
70.91015	2.1
71.01391	20.5
72.99328	2.7
73.02944	1.2
74.28681	0.9
81.03472	1.1
83.01405	3.0
85.02950	6.1
87.00868	1.3
88.98820	1.7
89.02457	14.8
95.01413	3.5
97.02986	1.0
101.02460	10.8
109.02991	2.1
111.00887	1.8
113.02464	7.7
119.03500	6.4
119.05046	1.8
121.03018	1.1
123.00939	5.5
123.04504	1.7
124.01707	1.2
125.02466	15.6
131.05064	1.1
137.02470	2.9
138.03273	2.7
139.00412	4.8
139.04036	2.8
147.04567	2.7
151.00388	14.0
151.04086	1.8
152.01169	1.5
153.01917	6.3
153.05595	2.5
158.03748	1.1
159.04561	2.7
160.05367	1.9
161.02499	2.4
165.01990	1.8
166.02727	24.1
166.04054	1.6
167.03433	1.6
169.01457	10.5
173.06129	1.6
175.04077	5.3
175.07544	1.6
176.98438	1.0
177.01987	1.0
179.03526	1.3
181.05093	38.4
182.05315	1.7
187.04028	1.8
190.02814	1.1
190.06363	1.4
193.05067	1.1
201.01964	1.2
202.02719	1.9
203.03525	16.5
205.08725	2.5
211.06120	1.0
217.05070	2.6
218.05850	17.2
219.06512	2.1
233.08221	32.6
234.08629	1.7
253.05043	6.5
269.04605	1.3
271.02435	1.1
282.11450	2.1
287.02124	1.3
289.07071	1.4
308.03311	1.1
309.04044	2.0
313.05835	2.1
313.10785	1.4
315.01370	2.1
316.02408	3.1
323.05981	1.5
324.06396	1.5
331.04630	2.0
338.07736	1.7
339.08844	3.6
355.08221	7.0
370.10516	2.7
373.09207	2.0
385.13007	24.3
385.69083	1.1
386.13431	2.1
387.10828	1.1
397.12943	8.2
413.14728	1.4
415.14026	18.8
416.14581	1.4
419.13681	1.4
443.57806	1.1
451.25763	1.5
463.09271	2.5
475.16141	4.5
505.17636	1.9
580.18115	1.2
595.13013	5.7
595.20538	100.0
596.20807	13.6
596.40253	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	595.2093
Annotation	Cannabisin B
Peak:m/z	Relative Intensity
50.06041	0.2
61.98829	0.7
63.43884	0.1
69.62928	0.5
69.63342	0.4
75.52438	0.1
79.60812	0.2
91.05555	0.7
93.03466	0.8
97.25951	0.1
106.04251	0.3
107.05046	1.7
117.03462	0.3
119.05005	0.4
121.02985	0.3
123.04508	0.2
125.02454	0.3
132.92111	0.2
133.02951	1.1
134.03749	0.8
134.06120	0.5
135.04538	38.0
136.04025	0.6
136.04944	1.1
136.07692	3.7
136.08659	0.3
137.02454	0.6
139.04031	0.4
147.04553	0.5
148.04134	0.4
148.05309	5.2
149.02463	0.8
149.05814	0.2
151.04018	0.2
160.04053	0.4
161.02455	3.7
162.02992	0.2
165.45547	0.2
167.03522	0.2
178.05115	7.0
179.05493	0.4
179.06848	0.2
190.05115	1.9
256.09839	0.7
296.09280	0.5
297.12650	0.3
298.10861	100.0
299.11185	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	595.2089
Annotation	Cannabisin B
Peak:m/z	Relative Intensity
52.83115	1.3
61.98838	2.5
63.37178	1.3
71.03297	1.4
71.27628	1.8
74.04960	1.4
82.25137	1.7
93.03471	14.2
109.02981	4.7
119.05070	4.0
121.02967	87.9
122.03267	2.2
123.04532	1.9
125.02474	3.3
135.04555	11.9
137.02452	4.5
139.03957	1.4
145.03052	1.7
147.04533	26.1
159.04517	1.6
161.02475	1.9
168.00621	1.5
169.01454	3.7
173.02498	3.1
175.75552	1.4
179.03574	1.7
193.05139	1.8
240.04404	1.9
251.07175	5.8
255.03046	2.1
256.09818	3.6
267.06573	2.9
268.07471	1.6
269.08197	100.0
270.08615	6.2
295.06076	9.1
298.10745	2.1
310.10919	2.4
313.07126	3.5
338.10501	3.6
432.14539	87.1
433.14893	10.0
458.12512	14.5
459.13443	1.5
540.25244	2.0
595.20898	39.9
596.21027	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	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
69.71730	8.3
78.95908	73.6
80.91644	2.7
89.28382	1.7
96.96967	14.2
114.10999	1.5
118.27386	1.5
137.33128	1.5
150.15411	1.5
152.99602	100.0
154.00067	1.9
154.37946	1.9
155.67415	1.6
171.00658	2.3
178.16173	1.8
209.11917	4.3
210.12233	2.2
223.00143	10.6
241.01180	24.2
261.22348	1.6
279.23315	62.0
280.23672	4.4
310.21005	1.8
315.04935	17.5
568.55475	1.6
569.96985	1.7
595.28870	91.6
596.29358	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	595.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79437	2.8
55.89487	2.9
60.79530	3.2
71.27300	4.7
78.95919	56.4
90.21492	2.9
95.07355	3.2
96.96976	10.2
104.36554	3.2
152.99611	89.9
196.42584	3.4
215.53709	3.0
220.61470	3.5
223.00267	7.4
241.01146	25.2
266.38065	2.9
279.23355	48.9
280.23633	3.5
315.04794	8.8
595.28876	100.0
596.29382	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	596.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83690	5.1
58.64633	5.1
70.69972	10.1
86.80931	5.8
88.98830	9.0
112.68398	4.6
116.92876	13.2
117.92893	5.7
123.04525	5.4
125.02483	10.0
131.55737	4.7
147.00800	4.8
151.00336	8.3
169.01462	14.5
175.63928	5.3
178.99864	7.8
199.03943	6.8
214.02817	10.1
227.03455	6.9
243.02937	15.7
255.02989	6.1
270.01718	7.2
271.02466	60.4
281.90527	7.3
287.02054	26.1
298.98843	9.0
299.01984	64.8
316.02213	95.7
426.46054	6.1
476.09149	5.9
533.09375	100.0
534.09589	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	597.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82687	0.3
71.01383	0.5
71.26353	0.5
79.95741	2.9
88.98817	0.4
96.17902	0.4
96.96021	100.0
97.27985	0.4
97.95975	0.6
98.80582	0.3
105.16373	0.4
109.13248	0.3
123.00881	0.4
129.02034	0.4
137.02437	0.8
138.45395	0.4
143.95810	0.4
149.02516	0.5
163.00397	1.6
193.01399	0.9
203.03484	1.3
205.01311	0.4
205.05006	0.5
210.10919	0.4
218.99655	0.5
221.04539	0.4
229.01555	0.9
231.03017	1.1
233.57550	0.4
237.00378	0.8
245.01013	0.4
247.02534	0.8
249.03984	1.1
257.00940	1.3
275.02029	4.8
279.01343	1.7
293.03079	0.8
300.99960	5.9
302.00293	0.4
399.05197	0.4
421.04077	0.4
439.05341	0.6
455.08438	0.4
481.06406	4.5
482.06891	0.4
499.07379	3.7
540.79944	0.4
559.84778	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	597.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59081	0.3
59.01377	0.5
61.96804	0.3
65.00303	0.3
69.86386	0.3
79.95741	3.1
88.98821	0.9
96.96022	100.0
97.95968	0.5
98.21754	0.9
118.27279	0.3
137.02463	0.8
152.78664	0.4
159.04524	0.8
163.00368	2.3
164.01175	0.4
165.02000	0.4
173.02371	0.4
177.01831	0.4
185.02469	0.4
190.99925	0.5
193.01414	1.1
194.97810	0.4
201.01956	0.9
203.03555	1.3
205.01561	0.4
205.05006	0.7
228.83226	0.5
229.01425	1.0
231.03032	1.5
237.00383	0.7
245.01065	0.5
247.02557	0.9
249.04060	1.3
251.01979	0.3
257.00989	2.1
273.00543	0.5
275.02026	6.9
276.02371	0.5
279.01505	2.9
293.03110	1.3
300.99957	7.3
302.00211	0.5
310.96045	0.3
316.97232	0.4
376.23471	0.3
395.06552	0.5
399.05750	0.4
421.04150	0.9
481.06293	6.4
482.06879	0.6
499.07275	4.2
500.07849	0.7
580.59711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06300	0.4
59.01405	0.6
61.98837	9.3
63.02388	1.6
65.00328	2.6
65.86261	0.4
69.18155	3.2
83.01396	1.6
88.98849	0.4
93.03460	0.6
95.01396	0.8
96.96100	0.4
98.21945	1.3
98.22579	0.7
107.01411	6.6
109.02957	6.5
111.00906	0.4
112.46288	0.4
119.01392	0.7
121.02958	5.1
123.00876	0.5
125.02455	3.1
127.82401	0.4
135.00897	0.7
139.04013	0.6
148.01643	0.5
149.02475	1.5
151.00383	21.1
152.00758	0.7
159.04549	1.2
161.02441	0.8
163.00386	6.7
164.01035	0.5
167.05032	0.4
169.01453	5.9
174.96991	0.3
178.99889	11.3
183.04526	1.1
185.06024	0.7
187.03952	1.1
189.05501	0.4
192.00624	0.6
193.01314	0.5
195.19171	0.4
199.03949	0.8
201.05563	1.4
203.03557	0.8
211.04028	2.4
212.04742	0.5
213.01878	0.5
215.03581	0.9
227.03558	2.8
229.05130	1.8
234.99254	2.1
239.03500	0.9
240.96802	0.4
243.02989	1.0
245.04510	4.0
255.02991	7.6
255.05634	0.5
256.03580	1.3
257.04636	0.6
266.02267	0.9
271.02563	2.8
273.04050	2.7
274.04233	0.6
283.02457	3.5
284.02509	0.4
299.01950	2.0
300.02725	2.8
301.03552	100.0
302.00720	0.7
302.03915	6.3
348.92593	0.4
487.12598	0.5
517.09900	3.4
593.67151	0.4
597.05530	3.7
597.25525	0.5
598.12616	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	597.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	0.5
60.14235	0.5
61.98827	1.1
76.85223	0.5
85.74581	0.5
93.03470	4.2
96.65472	0.4
97.02995	0.5
98.21779	1.4
107.01398	1.0
108.02168	1.2
109.02963	0.8
121.02943	0.8
124.01636	0.5
125.02431	1.3
135.00888	0.7
137.02461	4.1
148.01692	0.7
151.00369	4.1
163.00391	1.2
167.21568	0.4
168.00633	0.6
169.01393	1.5
175.03946	0.6
178.99915	0.9
193.05084	0.5
194.13110	0.5
199.03978	1.3
200.38098	0.5
203.03412	0.5
211.03960	0.7
215.03397	0.5
226.02785	0.9
227.03448	2.0
233.77042	0.5
243.02983	6.9
244.03500	0.9
254.02258	1.8
255.02988	18.2
256.03271	1.0
271.02505	40.7
272.02979	3.4
274.36877	0.5
283.02454	0.6
299.02020	7.7
300.02777	100.0
301.03360	15.6
302.03854	0.7
314.04272	0.9
315.05130	96.7
316.05405	7.7
459.09320	2.7
477.10413	5.9
582.10022	0.9
597.12610	29.7
598.13135	4.7
599.94263	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	597.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	1.0
59.01376	2.2
61.98820	1.8
68.98367	9.8
68.99833	2.1
69.03464	2.4
69.12921	1.2
71.01373	2.1
72.00386	1.0
79.92340	1.3
80.55698	1.1
81.03468	8.1
83.01390	7.7
85.02943	1.7
91.94904	1.1
93.03473	4.7
95.01389	2.4
95.05045	5.7
97.02989	6.6
99.00869	1.3
99.04531	1.7
103.82787	1.1
107.05054	1.9
109.02943	3.3
111.04525	3.4
113.02497	1.3
113.37778	1.2
119.05052	7.7
121.02974	4.6
121.06623	1.6
123.04534	19.2
125.02460	17.4
130.86171	1.1
135.04523	3.5
137.02463	6.2
137.06081	7.9
139.04036	12.9
141.05580	1.2
147.04498	3.4
149.02454	1.8
149.06113	2.2
151.04012	4.6
153.05634	1.3
155.03481	1.6
161.06142	1.7
163.04012	3.5
163.07663	1.7
165.01930	2.5
165.05571	7.5
166.02722	2.1
167.02138	2.5
167.03510	32.0
168.03796	1.8
169.01456	7.0
177.05522	2.3
179.03548	8.1
179.07149	1.4
180.04262	1.6
181.05028	2.1
186.56198	1.1
189.05562	8.2
191.03529	2.6
193.05080	4.0
197.04536	7.2
207.06641	1.7
209.04559	30.8
210.04936	1.9
219.03050	1.4
221.04562	6.7
223.06181	1.0
233.04585	1.4
235.06253	1.6
239.05704	11.3
251.05663	4.1
263.05737	1.4
269.06628	1.8
273.07645	4.5
281.06638	1.5
315.08722	18.0
327.08752	9.1
341.10321	1.7
345.09827	8.3
357.09830	100.0
358.10138	7.4
369.09851	4.8
380.72491	1.4
387.10880	80.6
388.11304	8.5
399.10880	5.4
417.11899	24.2
418.12170	2.0
429.12061	2.1
441.11758	1.4
459.12894	11.8
471.12704	1.3
477.13977	18.8
478.14401	2.3
489.14008	7.4
507.15158	4.2
536.17029	1.2
551.21149	1.9
597.18622	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	597.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70330	1.3
56.15446	1.3
58.25733	1.5
61.98829	2.1
79.32192	1.4
84.45501	1.4
85.30881	1.5
93.03471	3.6
98.21759	5.8
109.02967	2.3
121.02971	2.0
122.03757	14.5
125.02466	2.3
131.40187	1.3
133.02975	2.4
136.01669	10.3
137.02454	2.5
145.02876	3.4
149.02460	18.6
150.03249	93.0
150.23239	1.5
151.04051	14.0
160.05339	3.0
164.04820	5.7
165.05586	100.0
166.02763	2.1
166.05890	3.2
169.01511	2.2
173.02417	1.4
175.03993	10.7
180.04300	6.1
181.05038	5.2
190.06310	8.3
195.06642	56.7
196.06870	1.8
205.08771	3.5
222.15219	1.3
282.05396	10.2
297.07758	12.8
299.09326	4.0
312.09985	13.7
327.08746	10.5
327.12424	14.1
328.08899	1.8
342.11063	7.4
357.13431	48.8
358.13855	4.2
383.11444	2.0
401.12445	30.5
402.12854	2.4
549.17511	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	597.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
59.54482	0.3
61.98843	3.3
69.69269	0.8
69.69693	1.4
71.01374	0.7
74.03670	0.3
81.03463	12.1
83.05035	36.2
84.05359	0.6
93.03465	0.3
95.01396	0.6
98.22066	0.8
100.07694	5.6
125.02466	3.0
126.05680	0.9
127.04019	0.7
129.20830	0.3
169.01451	3.4
178.53029	0.4
199.18181	7.0
207.15123	0.6
209.09151	0.4
211.02177	0.4
224.17647	0.5
225.13968	0.6
225.16110	8.5
226.16531	0.5
243.17145	20.4
244.17650	0.7
269.15036	1.2
300.99762	1.8
302.00342	0.6
309.21887	1.7
313.05432	0.5
322.71994	0.4
335.19754	0.7
353.20837	6.3
430.09250	0.4
433.31815	0.5
451.32809	2.5
469.34018	13.1
470.34436	1.7
495.31931	0.5
560.15326	0.4
579.37701	3.1
580.37775	0.6
597.38727	100.0
598.39081	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	598.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40013	3.0
57.41608	3.3
58.02987	8.4
61.98822	9.5
71.25918	6.5
74.02473	23.3
82.02970	4.2
86.02488	9.7
87.05630	3.9
99.05669	15.4
99.88509	3.8
101.07217	4.6
109.04048	3.7
112.04079	4.7
117.03474	3.9
125.03608	3.5
128.03566	63.1
135.05592	7.2
143.04643	78.5
145.02963	6.7
145.06203	5.1
146.04567	6.5
166.09900	4.2
179.04631	19.7
210.08859	19.6
237.67429	3.5
251.48285	3.5
254.07884	44.1
272.08884	100.0
301.03546	6.0
325.18134	4.4
327.11920	4.1
376.03018	3.6
423.09729	3.6
544.23242	4.6
559.45093	4.0
580.26733	5.7
598.28003	21.8
599.28290	6.3
610.65759	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	598.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17400	0.7
57.17897	0.7
58.02978	7.6
59.01368	0.8
61.98820	2.1
66.03482	1.0
68.38052	0.8
69.37849	5.2
70.02987	1.0
72.00903	1.4
74.02478	17.8
81.04578	0.9
82.02988	2.5
86.02495	5.8
86.99104	1.2
87.05649	3.7
90.00183	1.2
97.04079	1.7
98.22387	1.4
99.05649	15.0
101.07227	2.1
102.05634	2.0
107.06178	0.8
109.04066	2.8
111.05625	1.2
112.04064	2.1
123.05640	1.5
124.03985	0.8
125.03544	1.6
127.05135	3.0
128.03555	43.3
128.43340	0.8
131.04643	0.8
135.05649	3.7
137.07230	1.2
141.06708	3.8
143.04639	56.3
144.05090	1.0
145.06165	2.5
146.04637	5.4
151.00366	0.8
153.06723	3.6
160.00761	17.6
166.09813	1.9
167.04633	3.9
167.08253	2.2
170.03218	0.9
171.07735	1.1
177.03423	5.9
177.37160	0.8
178.99809	0.8
179.04651	11.3
179.06119	1.4
181.06187	2.2
185.05704	1.4
197.05638	2.1
198.08859	1.3
209.11824	1.9
210.08873	12.1
228.09933	0.8
242.07802	1.7
254.07832	22.7
268.49258	0.8
272.08899	32.3
272.11859	1.6
273.09198	1.4
288.06647	10.8
291.19431	0.8
301.03607	4.2
306.07690	100.0
307.08066	4.7
327.20383	1.0
436.29016	1.0
598.28210	9.1
599.28125	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	599.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92175	0.2
58.87297	0.2
59.01353	0.5
61.98830	1.5
65.00288	0.2
69.42220	1.5
74.68719	0.2
76.84332	0.5
83.01359	0.3
97.88094	0.2
107.01370	0.6
108.02154	0.4
109.02944	0.3
121.02922	0.4
123.04499	0.3
125.02479	1.6
132.02130	0.4
148.01604	0.9
151.00349	1.7
152.01155	0.5
153.05560	0.6
160.01660	0.3
162.03189	0.7
163.03989	1.0
167.03606	1.2
169.01416	2.3
172.01680	3.6
177.05513	1.0
178.99826	0.5
181.05115	1.4
188.01094	0.6
199.00339	0.5
200.01158	2.5
211.06131	2.1
216.00674	1.8
222.42842	0.2
228.00670	6.0
229.01131	0.4
244.00131	6.1
245.00464	0.3
251.62752	0.3
256.00052	0.4
269.59625	0.2
270.98816	0.6
271.99655	7.6
273.00250	0.4
282.98877	4.4
283.99277	0.4
285.04071	1.9
289.07422	0.3
298.98465	0.6
299.99130	100.0
300.99490	6.1
301.03516	3.5
313.05624	1.2
315.01492	95.8
316.01782	7.3
599.09589	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	599.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68593	0.6
58.69706	0.6
64.34272	0.6
70.75960	0.6
71.28734	1.1
78.95899	2.8
79.95750	4.6
82.10378	0.7
92.26275	0.7
95.97625	0.6
96.96019	100.0
107.01371	0.9
118.64830	0.6
125.02439	1.6
130.62527	0.6
151.00406	3.5
169.01398	0.8
178.99887	1.5
198.09865	0.7
227.03539	6.2
229.05080	0.8
255.02992	9.3
269.95267	0.6
284.03284	9.0
285.04089	5.6
301.00430	1.0
301.03516	9.0
313.00394	2.1
322.17453	0.7
327.99243	1.8
355.01465	1.3
383.00845	7.5
387.00507	1.0
401.02182	1.4
414.99951	1.4
501.10477	15.2
502.10672	0.7
599.02673	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	599.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15615	0.1
63.02398	2.2
63.71370	0.1
65.00330	3.4
71.07771	0.1
83.01398	2.4
91.01904	0.3
93.03466	1.0
93.03967	0.2
107.01398	7.0
108.02266	0.2
109.02967	3.0
111.00900	0.2
119.01427	0.5
121.02969	6.9
122.03231	0.2
123.00916	0.2
125.02458	0.6
135.00887	0.5
137.02435	0.2
139.04025	0.5
139.09888	0.2
147.00902	0.3
148.01707	0.3
149.02379	0.9
151.00385	29.0
152.00751	0.7
157.06602	0.2
159.04500	0.7
161.02480	0.2
163.00388	3.4
163.04028	0.3
164.01193	0.5
167.05077	0.2
169.01485	1.3
170.03790	0.2
171.04510	0.3
173.06085	0.2
174.03154	0.3
175.04028	0.4
177.02029	0.1
178.99878	14.9
180.00209	0.7
182.03685	0.2
183.04558	0.5
185.06065	0.3
187.04079	0.5
190.99881	0.4
192.00601	0.4
193.01405	0.5
195.04572	0.2
196.17245	0.2
199.04015	0.3
201.05649	0.8
203.03456	0.2
205.04956	0.2
210.35201	0.2
211.04021	1.4
212.04706	0.3
213.01863	0.3
215.03391	0.2
217.05183	0.2
227.03468	1.4
228.04185	0.2
229.05077	1.6
239.03497	0.5
243.03111	0.6
245.04575	2.7
255.02997	3.5
256.03751	0.3
257.04492	0.7
266.02225	0.3
271.02490	0.5
273.04062	2.4
274.04492	0.2
283.02502	1.6
284.03183	0.3
297.06140	0.4
300.02911	0.5
301.03555	100.0
302.03922	6.7
331.64694	0.2
447.09460	0.5
599.10480	6.3
600.10834	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	599.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24488	0.9
60.81122	1.1
61.98835	3.0
65.00330	2.5
68.98946	8.6
68.99373	2.7
78.91888	1.1
80.91693	6.1
81.37706	1.0
88.98827	4.4
93.03474	2.6
101.89098	1.1
105.33605	1.1
107.01390	3.4
108.02203	2.4
109.02949	1.2
117.03539	1.5
119.05014	1.4
121.03021	2.3
125.02467	2.1
134.02983	1.1
137.02457	1.8
144.98372	1.0
145.02980	3.7
148.01663	1.3
151.00372	8.6
163.00383	3.1
169.01456	2.0
178.99883	4.6
227.03529	2.7
243.02991	11.9
244.03549	1.3
245.04623	1.3
254.02194	2.4
255.03043	26.2
271.02505	57.0
272.02872	4.4
299.02011	2.0
300.02774	100.0
301.03418	23.1
311.00430	5.7
315.01285	1.6
317.02808	1.7
325.99182	1.2
341.01712	2.8
353.01569	3.4
354.95319	5.6
382.01825	5.0
382.95148	3.0
383.02502	11.3
404.10986	1.6
475.08795	5.4
515.06287	2.4
517.09930	90.3
518.10144	11.9
535.11469	1.2
557.08105	7.5
558.08398	1.5
599.09760	2.5
600.02039	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	599.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01973	0.4
63.02394	2.5
65.00334	4.3
66.45438	0.4
83.01401	3.2
93.03429	1.1
94.69707	0.5
98.21749	1.0
103.09030	0.4
107.01395	8.6
109.02956	4.3
111.00865	0.7
121.02960	8.4
123.00909	1.1
124.01675	0.8
125.02454	9.1
127.00359	0.5
135.00806	0.4
136.98839	0.7
139.00395	1.1
139.03987	0.9
140.01157	0.9
147.00887	0.6
148.01682	0.5
149.02477	2.1
151.00388	38.6
152.00702	1.3
159.04512	0.7
161.02470	0.6
161.06038	0.6
163.00378	4.2
164.01132	0.8
167.05017	0.7
167.20155	0.4
168.00691	1.2
169.01442	15.6
171.04587	0.6
173.06116	0.5
178.99884	17.3
183.04535	0.8
187.03979	1.0
193.01505	0.4
199.03885	0.6
201.05551	1.5
205.05209	0.5
211.04066	2.1
227.03531	2.4
228.66550	0.5
229.05067	1.9
239.03511	0.8
243.03056	1.2
245.04565	2.9
245.99263	0.5
254.27844	0.5
255.03033	6.2
256.03497	0.7
257.04465	0.7
266.02136	0.6
271.02530	3.3
272.03168	0.6
273.04053	2.6
283.02472	1.6
297.06219	3.6
299.02051	0.6
300.02777	6.3
301.03558	100.0
302.03897	7.5
447.09354	3.0
580.42584	0.5
599.10516	33.1
600.10962	5.0
610.09375	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	599.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79261	1.3
53.17464	1.4
57.03444	2.6
59.01396	1.8
61.98846	9.5
63.02398	3.3
65.00318	4.9
67.31847	1.4
69.31121	1.2
71.01352	2.0
74.59429	1.7
80.46376	1.3
81.03449	3.2
83.01403	4.8
83.05039	7.1
84.05373	1.8
85.02953	1.7
93.03425	1.6
95.01402	4.2
97.02965	1.5
104.38413	1.5
105.74702	1.6
107.01405	14.6
109.02946	6.1
111.00889	3.3
121.02956	7.9
123.00897	11.8
124.01627	3.1
125.02467	41.1
126.02795	2.2
131.82957	1.4
133.02998	2.6
135.04559	5.5
137.02452	2.8
139.00410	4.0
139.04037	2.3
139.72607	1.4
140.01122	2.2
141.01901	2.2
149.02472	4.5
151.00385	41.2
152.01060	2.2
153.01958	4.2
163.00374	3.5
163.03987	2.0
165.01949	1.6
166.99855	5.3
167.03487	3.8
168.00658	6.6
169.01443	46.8
171.04622	2.0
173.06146	2.2
175.04010	2.1
177.02028	2.1
178.99878	15.8
183.02985	3.4
185.06047	2.3
193.01405	1.8
199.04022	2.3
211.03987	2.5
215.03548	1.7
229.05081	3.0
237.96274	1.5
239.03531	2.1
241.05043	2.6
243.17053	2.6
244.17494	1.9
255.02982	4.3
257.04633	2.4
259.06152	10.4
267.02844	2.0
269.04608	12.0
273.04059	2.2
285.04071	100.0
286.04428	6.6
287.05563	3.2
298.10809	4.0
299.11102	6.0
299.99112	16.2
300.02716	5.2
300.11261	3.4
301.03558	91.5
302.03876	5.7
313.05780	9.9
315.01547	16.2
316.01901	2.1
347.07773	6.3
348.08118	1.5
361.08215	1.9
362.10162	13.0
363.10605	3.0
421.85217	1.7
463.09061	2.6
598.38995	18.6
599.10291	53.6
599.19946	43.9
599.39001	7.5
600.10486	9.1
600.20258	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	599.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.9
62.45013	1.6
65.00301	2.6
71.01370	2.8
71.25075	1.8
75.82196	1.6
76.62360	1.2
81.33954	1.2
85.11515	1.5
86.73092	1.3
107.01398	5.5
109.02950	4.9
113.02493	1.9
120.66900	1.4
121.02908	2.5
123.00867	2.5
125.01120	1.5
125.02464	35.4
137.02493	2.7
140.01151	1.4
143.83652	1.4
151.00388	9.9
153.01955	3.3
163.00391	2.3
169.01442	38.0
170.01738	1.6
178.99925	3.0
193.05238	1.4
207.40530	1.4
227.03497	6.1
243.02965	3.7
247.08539	1.9
255.03004	23.6
256.03552	2.6
270.99475	2.8
271.02496	23.6
272.02930	2.5
274.58740	1.5
275.02029	2.2
284.03241	12.4
285.04062	20.3
300.02780	41.4
301.00333	2.7
301.03522	15.0
313.05649	10.8
318.85718	1.7
387.68130	1.5
406.11453	1.8
463.08905	16.4
559.37103	1.5
599.10425	100.0
600.11053	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73236	0.3
63.02404	2.0
65.00317	1.0
66.23138	0.4
67.78990	0.3
69.22431	0.3
71.01382	0.4
72.51708	0.3
83.01379	1.6
85.02993	0.4
91.01889	0.4
93.03450	1.7
93.03992	0.4
95.01381	0.8
98.21780	0.7
102.20570	0.3
105.33990	0.4
107.01391	4.4
109.02991	0.7
117.03485	0.4
123.00912	1.3
125.02470	2.7
134.73187	0.4
135.00883	0.7
137.02394	0.7
139.03941	0.4
140.01193	0.4
143.05011	1.4
145.02963	0.7
147.04506	0.4
151.00383	8.3
152.00761	0.4
153.01955	0.7
157.02859	0.4
157.06592	0.6
159.04546	1.7
161.02483	0.4
163.00340	2.0
164.01176	0.9
165.01984	0.7
167.05095	0.4
168.00636	0.5
169.01433	5.7
169.06598	1.0
171.04510	0.9
173.02409	0.5
183.04498	0.4
185.06094	2.5
187.03999	3.4
189.05573	0.8
197.06062	1.0
199.04028	0.7
201.05507	0.6
211.04114	1.7
212.04788	0.8
213.05557	2.5
214.02545	0.4
214.66112	0.4
215.03445	0.5
227.03502	2.2
229.05070	10.6
230.05334	0.6
239.03320	0.7
240.04288	0.7
241.05031	1.8
243.03058	0.6
246.99001	0.5
247.02560	0.4
255.03011	0.8
256.03726	0.6
257.04553	8.1
258.04926	0.7
267.03015	1.0
285.04068	100.0
286.04388	7.0
313.05688	11.4
314.06119	0.9
420.13071	0.4
447.09210	0.8
555.17340	0.5
599.16681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.3
61.98838	25.7
65.00307	5.1
66.12801	2.7
70.46483	2.5
71.01366	2.7
71.10703	4.1
73.16744	2.4
81.64628	2.6
83.01374	4.0
85.02958	3.6
88.67978	2.8
98.22012	4.1
107.01408	8.3
109.03007	3.4
117.03490	6.1
121.02972	7.5
125.02439	11.4
132.02184	4.6
133.03044	6.5
137.06050	6.2
139.00398	4.2
143.01466	2.9
145.02966	8.4
146.35202	3.0
151.00410	22.8
151.68027	2.5
159.04561	3.3
161.02469	14.7
163.00385	4.3
163.04041	4.3
169.01413	21.2
170.01691	3.1
171.00844	5.5
172.01694	5.5
173.02425	5.8
175.03972	3.7
177.01952	6.0
178.99931	11.4
187.00349	4.8
189.01913	11.7
190.02719	4.5
191.03685	2.9
199.00377	4.1
200.01227	3.7
201.01953	9.3
201.11659	2.7
203.03522	6.1
205.01355	2.9
207.93802	2.6
211.07646	3.2
211.31779	2.5
214.99930	10.7
216.00644	6.2
217.01453	12.1
226.99948	4.4
229.01457	9.5
229.05009	3.1
233.00943	3.5
242.99394	13.9
245.00954	10.2
247.02585	5.0
255.03123	3.5
257.00986	4.7
259.99643	9.4
261.09961	2.9
270.98941	28.8
271.01968	4.9
271.99380	3.5
273.00467	24.0
274.01132	2.7
275.01978	3.6
285.04028	12.7
298.98352	38.2
299.01724	4.6
299.99152	8.8
300.99969	26.9
301.03571	70.0
302.00629	4.0
302.04138	3.3
311.68420	2.6
320.11194	5.5
322.58649	2.7
343.01004	5.5
408.04898	5.9
420.13031	12.1
436.04440	44.5
437.04852	11.2
455.01096	2.7
499.12302	5.4
543.11475	16.1
555.11639	14.8
571.11066	35.2
581.09534	25.3
582.10986	3.1
598.38733	5.6
599.10468	100.0
600.10675	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1048
Annotation	Kaempferol 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
57.03434	1.2
57.72782	0.3
59.01375	0.4
61.98812	0.4
62.83688	0.3
65.00343	0.5
68.99813	0.4
73.08308	0.4
81.03445	0.7
83.01372	1.6
85.47565	0.4
93.03468	0.7
95.01400	0.7
97.02941	0.5
101.27480	0.4
105.03468	1.4
107.01419	0.7
107.26505	0.4
108.02178	0.5
109.02962	6.4
114.93407	0.6
119.01391	1.2
121.02965	4.1
123.00901	0.8
125.02464	14.6
133.02948	0.8
135.00880	0.6
137.02461	1.9
139.04037	0.7
143.04970	0.6
145.02946	0.8
146.03801	0.6
147.00879	5.2
147.04546	3.1
149.02478	4.9
150.02838	0.5
151.04037	0.9
159.04535	1.1
160.38844	0.4
161.02429	1.0
163.00377	5.3
163.03961	0.4
164.01031	0.9
165.01947	0.6
167.03481	1.4
167.04979	0.9
169.01428	6.1
169.06604	1.0
170.01878	0.6
170.03777	0.5
171.04543	2.2
172.05357	0.4
173.02371	0.5
173.06070	0.6
174.03273	0.9
175.03978	2.6
176.01166	0.7
177.01926	2.4
183.04517	0.6
185.06064	2.9
187.03984	2.0
189.05580	2.7
195.04492	1.1
196.05240	0.8
197.06093	1.1
198.03189	1.2
199.04025	2.3
201.01961	0.9
201.05591	0.8
203.26709	0.4
211.04068	2.8
212.04778	1.5
213.05609	4.1
214.02650	0.9
215.03470	2.2
217.05124	5.0
224.04831	0.6
226.02719	0.9
227.03468	1.3
228.04047	0.4
229.05057	3.3
239.03552	2.4
240.04341	2.4
241.05095	3.5
243.03040	0.8
255.03021	1.1
256.03793	2.3
257.04550	10.0
258.04950	0.6
263.10724	0.4
267.02975	0.8
268.03827	0.6
271.04559	0.5
283.02469	1.0
284.03271	4.8
285.04071	100.0
286.04428	7.1
289.07013	0.6
295.02380	0.7
303.05109	0.7
309.03687	0.5
313.05533	0.9
319.04578	0.5
321.03787	0.6
406.61295	0.5
429.97351	0.4
447.09406	0.7
462.83606	0.4
599.10461	10.0
600.10754	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	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
60.99313	13.7
61.98838	5.4
71.01390	1.1
72.15724	0.5
77.03117	0.6
82.95429	0.6
84.95119	1.5
85.00441	1.5
86.18732	0.5
88.98813	100.0
89.02473	0.6
89.99174	0.8
96.96044	0.7
98.22565	1.2
102.89119	0.5
117.03454	1.0
118.88053	0.6
119.05081	1.0
121.02946	0.8
123.04527	0.8
125.02435	1.5
137.02347	0.6
139.76875	0.5
145.02979	2.8
150.03282	0.8
151.00392	1.2
163.03967	0.6
167.03497	1.9
169.01413	1.3
182.79694	0.5
191.03477	0.5
226.99602	0.6
228.90797	0.5
255.03056	1.0
270.42102	0.5
271.02740	1.0
285.04391	0.7
285.07724	1.4
299.99249	1.5
300.02933	1.6
301.03549	3.6
306.38046	0.6
315.01614	1.2
315.05252	2.0
317.02979	0.7
323.60190	0.6
338.14911	0.6
343.86612	0.6
347.18579	3.5
437.08139	0.9
509.23816	5.7
599.11194	1.8
599.21606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98831	2.9
63.02386	1.0
65.00323	1.6
68.90407	0.7
69.03441	0.8
69.15981	0.6
71.01395	3.9
71.27510	1.3
73.02953	1.0
73.21796	0.7
79.01878	1.3
83.01395	1.7
85.02974	1.6
89.02461	1.2
95.01394	2.0
99.00870	0.8
101.02427	3.4
103.42699	0.6
107.01402	30.8
109.02940	1.6
111.00895	1.3
113.02459	1.2
121.02977	2.5
123.00905	7.3
125.02464	65.1
126.02786	1.9
139.00417	2.2
139.04062	0.8
140.01199	1.0
141.01877	0.8
151.00391	15.0
161.02505	1.0
163.00421	1.1
168.00645	0.9
169.01442	100.0
170.01752	3.6
178.99873	4.6
229.05206	0.8
242.58286	0.7
248.03198	0.7
255.03159	1.4
273.04260	0.8
275.02133	1.0
301.00110	2.1
301.03519	34.4
302.03876	2.4
453.44849	0.7
473.32849	0.6
547.70612	0.7
555.29218	0.6
599.23474	91.1
600.23877	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	600.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71371	0.2
59.01388	0.6
60.99305	0.5
61.98835	100.0
88.98808	2.2
96.96021	2.0
98.15253	0.2
107.01369	0.2
114.93493	0.3
117.03441	0.2
121.02966	0.3
123.00955	0.3
125.02468	0.4
133.03030	0.2
145.03069	0.4
151.00406	0.4
152.00717	0.3
159.60860	0.2
161.02446	0.9
164.01225	0.2
169.01469	0.4
171.00900	0.3
171.10327	0.4
173.02472	0.4
177.01924	0.2
189.01996	0.9
191.03593	0.5
201.02066	0.5
203.03618	0.3
209.11981	0.4
216.00662	0.3
217.01469	1.1
229.01532	0.5
235.02554	0.2
239.92877	0.2
242.99458	0.3
245.01093	0.8
247.02597	0.5
259.99701	0.4
261.00610	0.2
270.98975	0.9
271.99689	0.2
273.00491	1.8
275.02219	0.3
298.98380	1.6
301.00076	0.5
301.03784	0.9
302.03964	1.3
312.25516	0.2
501.14227	0.4
510.24991	0.2
527.12439	0.8
539.12415	0.8
555.11725	1.3
557.13226	1.4
569.84448	0.2
583.11029	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	600.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73874	3.2
58.02969	10.4
61.98821	4.7
63.32147	2.8
70.46303	10.7
73.58790	3.4
73.98336	4.4
74.02480	22.7
78.15092	3.2
82.03022	4.2
83.77047	3.1
86.02501	9.0
87.05659	4.0
87.93816	3.8
91.08163	3.2
97.04066	4.3
99.05679	19.9
102.05593	4.3
109.04118	5.0
117.03475	3.5
119.05011	4.0
125.03602	3.3
128.03560	66.2
135.05656	8.5
137.07295	4.4
143.04633	82.0
145.02988	11.9
146.04587	5.6
153.06763	3.6
163.03960	3.7
167.08226	4.3
177.04324	3.4
179.04607	23.5
210.08888	20.2
254.07837	47.8
272.08917	100.0
273.09195	6.1
306.09930	3.0
365.78003	3.3
452.82742	3.3
471.25192	4.7
536.03040	3.6
582.28369	6.4
600.29724	46.9
601.29437	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	601.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02025	0.4
66.95924	2.7
70.84901	1.3
73.26893	0.4
73.35881	0.4
81.48596	0.4
82.95420	100.0
96.96005	0.4
110.24892	0.5
112.29430	0.5
114.42592	0.4
117.03483	0.6
123.00826	0.7
123.06159	0.5
125.02452	0.6
145.03043	0.8
151.00319	0.8
160.01685	0.5
161.02490	0.9
163.00365	0.5
168.00784	0.4
169.01364	0.6
173.02498	0.7
178.99902	0.7
183.03003	0.7
188.01120	0.8
189.01962	0.9
199.00446	0.5
201.01939	1.0
217.01408	0.7
222.51857	0.5
229.01440	1.0
242.99438	0.7
243.03026	0.9
245.00932	1.0
255.02898	2.2
259.02585	0.6
259.99808	0.8
270.99014	1.3
271.02521	3.8
271.99591	0.6
272.02771	0.8
273.00372	1.0
273.03085	0.9
298.98395	2.3
300.02731	7.5
301.03189	2.7
302.03622	1.6
313.00427	0.5
331.01279	0.5
384.01855	0.5
384.98288	0.6
385.02783	0.9
415.55881	0.4
513.10706	1.6
517.09930	7.0
518.10492	0.6
519.10480	2.2
525.10382	1.0
541.09869	2.9
551.08496	0.6
559.08557	0.8
569.09363	2.3
583.11090	2.8
601.11847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09158	0.5
57.46218	0.4
60.99311	15.5
61.83339	0.5
66.27644	0.5
69.75361	2.5
88.98812	100.0
89.99157	0.9
97.51030	0.4
98.06656	0.5
110.00329	0.5
116.92872	1.1
125.02475	0.7
135.22717	0.4
143.57076	0.5
169.01479	0.8
189.01878	0.9
217.01431	0.6
242.99591	0.5
245.00887	0.6
247.02591	0.6
270.99084	0.5
271.02219	0.6
273.00430	0.9
298.98425	1.1
300.99927	0.5
364.44403	0.5
479.04694	1.9
511.07278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05302	2.3
59.01374	2.8
60.06497	2.4
65.00357	5.0
71.01382	3.4
81.03438	2.4
82.18302	2.1
84.00143	2.3
87.00893	7.2
89.63002	2.3
93.03526	2.6
95.01407	5.3
95.99852	2.6
96.25520	2.2
105.03510	2.2
107.01405	2.6
117.03465	6.2
121.02901	2.6
123.00914	22.3
124.01686	28.5
125.02483	13.5
132.02216	7.2
133.02982	7.3
138.23061	2.5
139.04005	11.3
143.01419	2.8
144.02188	3.2
145.02975	15.1
147.00896	2.9
147.04497	4.9
148.01686	4.9
157.02983	2.9
159.00891	3.6
160.01683	6.3
161.02446	35.0
163.00436	7.7
163.04039	6.4
163.90903	2.1
164.01126	2.5
169.01460	10.1
171.00922	8.7
172.01686	8.1
173.02483	13.6
175.04056	5.9
176.01245	3.2
177.01903	8.2
178.99792	3.0
179.03506	3.9
187.00456	12.3
187.04021	4.0
188.01164	12.0
189.01938	28.4
190.02640	6.9
190.99861	2.7
191.03522	8.6
199.00429	5.8
199.04018	4.7
200.01120	5.7
201.01927	21.3
202.02582	2.8
203.03529	10.3
205.01459	4.4
214.02492	2.8
214.99875	18.7
215.03593	2.7
216.00636	11.8
217.01408	22.6
217.04852	2.3
219.03049	3.9
226.99933	8.6
227.03487	3.8
229.01462	18.4
229.05106	3.4
230.99434	3.7
231.03076	5.4
232.00116	3.8
233.00912	3.9
241.05077	4.0
242.99358	17.1
244.00121	8.3
245.00986	21.8
247.02539	7.8
257.00879	4.0
259.99664	26.1
261.00330	14.7
269.04626	9.9
270.98862	58.3
271.99432	4.7
273.00415	46.3
274.00977	4.0
275.01862	4.6
286.98145	2.9
298.98370	100.0
299.01724	5.8
299.98944	19.9
300.99960	28.4
301.03668	7.1
313.05606	4.5
385.02020	6.5
502.11234	2.9
529.09924	6.0
545.09393	30.3
546.09863	4.1
557.09454	32.5
558.09698	3.7
573.08905	63.9
574.09210	8.3
583.07343	11.3
601.08344	38.7
602.09418	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	601.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05302	2.3
59.01374	2.8
60.06497	2.4
65.00357	5.0
71.01382	3.4
81.03438	2.4
82.18302	2.1
84.00143	2.3
87.00893	7.2
89.63002	2.3
93.03526	2.6
95.01407	5.3
95.99852	2.6
96.25520	2.2
105.03510	2.2
107.01405	2.6
117.03465	6.2
121.02901	2.6
123.00914	22.3
124.01686	28.5
125.02483	13.5
132.02216	7.2
133.02982	7.3
138.23061	2.5
139.04005	11.3
143.01419	2.8
144.02188	3.2
145.02975	15.1
147.00896	2.9
147.04497	4.9
148.01686	4.9
157.02983	2.9
159.00891	3.6
160.01683	6.3
161.02446	35.0
163.00436	7.7
163.04039	6.4
163.90903	2.1
164.01126	2.5
169.01460	10.1
171.00922	8.7
172.01686	8.1
173.02483	13.6
175.04056	5.9
176.01245	3.2
177.01903	8.2
178.99792	3.0
179.03506	3.9
187.00456	12.3
187.04021	4.0
188.01164	12.0
189.01938	28.4
190.02640	6.9
190.99861	2.7
191.03522	8.6
199.00429	5.8
199.04018	4.7
200.01120	5.7
201.01927	21.3
202.02582	2.8
203.03529	10.3
205.01459	4.4
214.02492	2.8
214.99875	18.7
215.03593	2.7
216.00636	11.8
217.01408	22.6
217.04852	2.3
219.03049	3.9
226.99933	8.6
227.03487	3.8
229.01462	18.4
229.05106	3.4
230.99434	3.7
231.03076	5.4
232.00116	3.8
233.00912	3.9
241.05077	4.0
242.99358	17.1
244.00121	8.3
245.00986	21.8
247.02539	7.8
257.00879	4.0
259.99664	26.1
261.00330	14.7
269.04626	9.9
270.98862	58.3
271.99432	4.7
273.00415	46.3
274.00977	4.0
275.01862	4.6
286.98145	2.9
298.98370	100.0
299.01724	5.8
299.98944	19.9
300.99960	28.4
301.03668	7.1
313.05606	4.5
385.02020	6.5
502.11234	2.9
529.09924	6.0
545.09393	30.3
546.09863	4.1
557.09454	32.5
558.09698	3.7
573.08905	63.9
574.09210	8.3
583.07343	11.3
601.08344	38.7
602.09418	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	601.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
61.98825	4.0
69.04609	2.9
69.05009	7.9
71.01369	3.3
72.99309	1.0
76.67127	0.9
81.72265	1.0
85.02947	1.8
89.04001	1.5
95.01414	3.1
96.96035	2.3
101.02405	1.0
105.03465	2.0
107.05031	1.3
109.02979	2.5
111.00904	2.4
113.02488	1.1
116.92896	1.1
117.03487	7.5
119.05035	4.6
121.02975	2.9
122.03754	1.7
123.00919	2.1
125.02455	2.5
128.59204	1.1
129.03468	1.7
133.02965	7.7
135.04584	2.6
137.02478	3.7
138.03168	1.2
139.00444	1.8
145.02968	14.2
147.04539	4.6
149.02451	2.8
157.02960	1.3
159.04478	1.1
160.01610	1.3
161.02466	18.3
162.03149	2.3
163.00398	3.1
163.04021	7.7
164.01091	1.1
165.02065	2.4
165.05569	2.9
165.93170	1.0
169.01437	3.8
171.00885	1.1
172.01706	1.6
173.02443	13.7
174.03114	1.4
175.00345	2.9
175.04097	6.8
177.01920	6.2
178.99896	1.3
179.03543	1.3
185.02391	2.1
186.78310	1.2
188.01158	1.6
189.01979	25.3
190.02734	9.4
190.99937	1.1
191.03531	31.7
192.04008	1.1
193.01346	3.5
200.01251	1.4
201.01926	11.2
203.03560	3.6
205.01437	5.3
205.03232	1.0
206.02051	1.3
207.02988	1.6
208.00195	1.7
209.00943	1.4
216.00708	1.4
217.01424	35.4
218.02122	4.7
219.02965	10.7
221.01007	2.6
222.01746	2.2
226.99881	1.1
229.01430	11.1
229.04906	1.2
231.02965	1.8
233.00848	1.5
235.02405	6.6
242.99298	1.7
244.00041	1.2
244.98407	1.8
245.00931	36.2
246.01396	2.8
247.02505	19.7
249.04037	1.1
254.99301	1.9
255.03090	1.2
261.00531	1.3
263.02100	1.7
270.98837	3.4
271.99603	1.4
273.00430	83.8
274.00784	4.5
277.03769	1.4
285.04031	1.4
298.98349	5.9
299.98969	1.2
300.99930	2.6
301.03287	2.4
303.04221	2.3
306.17139	1.1
367.03226	1.8
417.11911	1.3
457.11127	1.5
485.14746	1.7
501.14096	21.0
502.14441	2.3
513.13971	4.4
516.88806	1.1
527.11505	2.5
529.13641	22.3
530.13654	2.6
539.12061	9.0
555.11377	4.4
557.13037	100.0
558.13361	11.3
578.01984	1.1
583.11041	5.5
601.12054	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	601.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
65.00328	1.8
66.75390	1.0
67.24631	1.0
68.57217	1.1
71.01391	1.4
86.49351	1.2
88.98802	2.1
89.02464	1.4
89.04025	1.8
93.03460	1.0
94.00009	1.1
94.39771	1.3
95.01413	1.2
98.22576	2.2
99.00924	1.0
105.03469	1.6
109.57601	1.2
117.03487	5.9
119.05051	4.4
121.02934	1.2
125.02464	2.2
129.03546	2.2
133.02950	7.5
135.04533	1.7
137.02470	2.0
145.02965	12.1
147.00998	1.7
147.04509	2.8
149.02380	1.5
157.02901	1.9
160.01680	1.4
161.02472	17.8
163.00375	2.8
163.04005	9.0
169.01433	2.9
173.02423	11.8
174.03262	1.3
175.00385	2.0
175.04048	3.9
176.01126	1.9
177.01915	4.9
179.03488	1.9
185.02489	1.1
188.01166	2.0
189.01956	22.9
190.02766	10.1
191.03511	29.6
192.03876	1.5
193.01414	2.3
199.00409	1.2
199.77876	1.0
201.01976	11.2
202.02585	1.6
203.03488	3.6
205.01405	5.1
214.99716	1.4
216.00706	2.3
217.01427	43.6
217.71037	1.0
218.02010	4.4
219.02994	7.5
222.01717	1.3
223.69534	1.2
228.00743	1.1
229.01440	8.7
235.02562	5.2
242.99217	2.3
244.98407	2.5
245.00925	47.2
246.01343	3.8
247.02516	13.4
248.02824	1.4
259.99677	1.7
263.02029	1.9
270.98843	4.1
273.00433	100.0
274.00894	7.9
277.03577	1.4
298.98495	6.7
300.99783	2.8
376.63120	1.1
501.14059	17.3
502.14374	1.5
513.14404	2.5
527.11774	2.2
529.13586	19.2
530.14197	1.9
539.11652	5.7
555.11377	4.3
557.13043	60.0
558.12921	6.1
583.10846	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	601.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88596	0.9
67.37933	0.8
71.01385	8.3
72.99308	1.9
89.02438	1.7
94.52811	0.8
98.22527	2.7
103.35265	0.9
115.00385	29.6
119.05046	21.4
120.05463	1.1
133.01445	100.0
134.01761	1.9
146.65886	0.8
163.04022	25.4
164.04277	1.2
279.04935	4.6
346.36792	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	601.121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06871	1.2
59.01388	6.8
61.98836	100.0
62.98545	1.1
63.19407	1.0
65.00330	1.1
69.16157	9.4
71.01379	2.1
75.81963	1.0
79.95759	1.3
82.95434	1.4
85.02973	1.1
87.00900	1.2
88.98831	2.3
89.02478	1.3
94.47901	1.1
95.01414	1.5
96.96024	42.0
101.02440	1.3
101.46249	1.0
111.00891	1.7
114.93446	3.1
116.92881	1.7
117.03452	2.1
117.57462	1.0
125.02486	2.0
129.03627	1.1
131.01437	1.5
132.02225	1.7
133.02953	2.1
137.02470	1.8
139.00374	1.4
144.02097	1.1
145.02985	4.4
147.04521	1.9
148.01651	1.3
150.77225	1.1
151.00400	1.2
153.01996	1.5
160.01656	2.5
161.02490	11.4
162.03113	1.2
163.00435	1.5
163.03987	2.8
165.01988	1.5
169.01372	1.9
171.00935	2.8
172.01700	2.8
173.02473	6.0
175.00356	1.2
175.04034	1.8
177.01924	2.6
177.05539	1.3
178.99843	1.3
185.02498	1.1
187.00400	3.6
188.01198	3.0
189.01949	9.7
190.02708	3.0
191.03490	9.1
194.59348	1.0
199.00420	1.5
199.03986	1.4
200.01202	3.3
201.01971	6.5
203.03537	3.1
207.02979	1.3
215.00006	3.7
216.00536	2.1
217.01436	12.5
219.02992	2.4
226.99921	2.6
229.01482	6.4
229.05164	1.4
235.02290	1.5
242.99332	4.0
245.00929	11.5
247.02477	5.5
259.99615	3.0
261.00531	1.2
270.98856	11.4
271.99448	1.7
273.00415	24.7
273.03244	2.1
274.00775	3.0
275.02078	2.1
298.98346	23.2
299.99020	3.0
300.99954	4.4
301.03549	2.8
302.03647	1.1
303.04572	1.4
417.25143	1.3
437.18436	1.3
483.12964	3.3
499.12546	2.0
501.14114	4.4
511.12024	1.2
527.12103	8.2
529.13757	3.4
539.11987	11.2
540.12201	1.7
555.11536	19.1
556.11505	2.5
557.12988	18.9
558.13477	3.0
583.10901	19.0
584.10876	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	601.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.3
60.24137	2.6
65.00348	3.0
66.73564	2.4
69.59880	8.0
69.60286	5.2
70.00571	2.5
76.35515	2.2
81.60855	2.7
98.21864	5.1
107.01416	11.4
123.00917	8.2
124.01694	5.6
125.02474	66.9
132.02203	2.8
133.02943	3.1
139.04065	3.8
145.02983	3.1
149.02399	3.0
151.00397	10.0
153.01904	6.8
161.02443	3.8
168.00652	5.6
169.01453	54.1
169.02785	3.4
178.99890	7.1
201.01912	5.1
201.05652	2.8
211.02498	7.1
216.00626	2.6
217.01553	2.9
225.05492	3.2
243.06630	4.6
245.00966	3.6
246.41107	2.8
247.02577	3.1
259.06097	18.2
261.00378	4.2
269.04562	54.8
270.05045	3.7
270.98938	6.8
271.04605	9.8
273.09204	2.9
287.05695	6.7
298.98294	17.0
300.99808	2.7
313.05667	28.2
439.08936	4.1
545.09332	4.0
557.09558	4.7
573.08820	7.5
583.11322	13.3
601.12122	100.0
602.12396	14.1
608.48273	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	601.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30853	0.9
56.06169	1.1
57.03450	13.8
59.01388	1.8
61.98837	1.2
69.06922	1.1
70.82352	1.3
70.82681	1.6
71.01373	1.1
81.03484	3.1
83.01387	6.5
86.27670	1.0
93.03479	2.7
95.01421	1.1
96.96021	2.4
97.02983	3.8
107.01413	2.9
108.02187	24.5
109.02972	14.3
111.00850	2.3
117.03471	1.4
121.02975	3.4
123.00919	3.8
123.04544	18.4
124.04916	1.0
125.02463	95.3
126.01920	1.1
126.02831	2.9
135.04550	2.5
137.02457	25.7
145.02971	21.1
146.03740	2.9
149.02444	7.3
150.03171	1.3
151.00398	2.6
151.04019	5.4
152.01170	25.1
159.04544	9.8
160.01663	4.5
160.05363	1.2
161.02451	2.2
161.06107	6.7
163.04065	1.6
164.01109	1.3
165.01944	15.8
165.05586	3.6
167.03514	74.6
168.00647	2.2
168.03882	3.2
169.01465	18.8
170.01741	1.1
175.04005	7.2
175.07703	1.1
179.03546	3.5
183.04546	4.2
185.02440	1.4
185.06090	6.8
187.03981	4.8
188.04756	3.1
193.05025	1.5
199.07666	1.7
201.05646	4.0
202.06357	1.7
203.07143	10.6
205.05028	4.2
209.06125	1.6
221.08145	1.6
225.05589	2.0
227.07210	4.6
229.05183	2.1
230.02161	2.0
231.02971	1.3
243.06621	12.1
245.08247	14.2
246.08539	1.0
253.05142	9.8
269.04596	4.2
271.06146	46.7
272.06512	4.4
273.07861	1.5
285.04166	4.2
286.04367	3.0
287.05225	4.3
289.07217	100.0
290.07550	5.3
300.99973	27.0
301.07214	1.5
302.00391	1.5
313.05603	6.5
329.08868	7.1
395.11469	5.7
403.80536	1.1
426.97714	1.3
439.10385	11.3
440.10461	1.7
541.16064	1.1
557.12799	9.2
601.11462	26.2
601.25317	1.7
602.11932	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	601.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06854	0.4
59.01377	1.8
68.95301	0.3
69.03466	1.7
69.57426	2.0
71.01362	0.4
72.78179	0.3
73.02974	0.7
74.25102	0.3
75.12081	0.3
81.03458	0.7
83.01414	1.0
95.01393	0.5
95.90310	0.3
97.02950	1.5
97.06614	0.3
98.21787	0.3
107.01431	0.4
123.00916	0.5
124.01635	0.4
125.02458	59.2
126.02779	1.9
155.64082	0.3
169.01440	100.0
170.01788	2.5
225.15109	0.4
227.12888	1.5
269.13971	0.9
276.38821	0.3
287.15021	2.8
301.00266	0.6
313.05676	0.4
373.07773	1.0
387.08475	0.4
431.13705	0.4
431.19299	4.4
601.21271	10.0
602.21625	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	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16061	1.6
56.40793	1.5
57.03453	3.0
64.49625	1.7
68.97520	18.5
73.76452	2.1
97.06602	13.3
98.22176	9.9
109.94585	2.0
123.08152	6.5
125.09737	100.0
133.27425	1.9
169.08762	2.4
171.10312	5.5
187.09785	76.8
188.10153	3.9
203.69910	1.9
211.13423	4.4
243.12311	3.5
261.13446	11.5
311.44434	1.9
341.89670	1.9
368.43021	1.8
431.22995	24.2
432.23312	2.1
436.40991	1.8
601.32312	85.3
601.42169	4.1
602.32428	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	603.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	14.1
64.62374	0.7
70.74815	1.2
71.01411	0.6
71.41950	0.6
85.02964	1.7
88.98813	100.0
89.99151	1.3
96.54316	0.5
107.66936	0.5
137.02501	0.8
191.02017	1.6
209.02881	0.8
214.10666	0.6
220.77704	0.6
227.14171	0.6
229.01505	1.3
245.00813	0.6
249.03801	0.7
257.01062	1.2
257.03955	0.6
263.01843	0.7
275.02023	2.6
300.99838	4.3
301.38049	0.6
307.48096	0.6
313.99365	0.8
481.05920	2.9
513.09174	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	603.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	15.1
65.17295	0.4
70.22466	0.5
74.97722	0.5
88.50407	0.5
88.98811	100.0
89.99122	0.8
98.21786	1.0
111.74553	0.5
125.02464	1.5
137.02440	1.6
138.38564	0.5
145.02965	0.6
156.48717	0.4
161.02448	0.6
163.00410	0.9
163.04138	0.6
169.01416	1.4
175.04080	0.6
189.01976	0.6
191.03493	1.1
193.01474	1.2
201.01817	0.7
203.03484	0.7
205.01192	0.5
209.00806	0.6
213.01816	0.6
216.35750	0.5
217.01343	0.8
226.86702	0.5
229.01389	1.4
237.00372	0.7
245.00827	1.5
247.02513	1.0
257.00931	1.7
275.01978	5.7
300.99945	10.6
302.00259	0.8
333.02539	1.2
453.06927	0.9
481.06445	5.4
513.08875	3.6
581.92267	0.5
603.05792	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	603.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27569	0.4
59.01371	0.9
61.98835	1.3
68.99788	0.5
69.03462	2.2
71.01394	2.6
71.26971	0.5
72.99316	0.6
73.02950	0.6
74.66473	0.4
79.01897	1.1
81.03452	0.9
83.01397	0.9
85.02969	1.4
86.66499	0.4
91.47166	0.5
93.03468	14.9
95.01388	1.6
96.96030	1.2
97.02967	3.0
98.75269	0.5
99.00954	0.6
101.02461	1.6
103.35908	0.4
107.01399	9.7
107.05035	1.0
109.02940	0.7
111.00880	1.6
113.02467	1.7
121.02964	0.7
123.00903	8.2
123.04547	0.6
124.01688	1.7
125.02460	78.7
126.02793	2.3
127.00381	0.6
133.06554	0.5
133.11340	0.5
135.04512	1.4
136.98846	1.6
137.02464	17.5
137.03511	1.0
138.02890	0.7
139.00404	3.8
140.01202	3.0
141.01976	0.5
143.03516	2.3
145.02960	0.7
145.74525	0.6
149.02434	1.0
150.03201	0.6
151.00380	5.5
151.03995	1.1
153.01973	1.7
159.04488	0.6
161.02409	0.8
163.04036	1.1
165.01898	1.3
166.99847	1.1
167.03519	1.4
168.00656	4.0
169.01440	100.0
170.01778	3.4
177.01930	0.7
179.03522	1.1
191.03592	1.0
193.01457	2.0
193.05095	0.8
209.00992	0.8
211.02539	3.1
223.02522	0.8
225.04025	0.5
237.04005	1.2
241.03500	0.9
253.03548	1.0
271.04681	1.7
289.07080	0.7
295.04572	6.0
313.05698	33.0
314.06058	2.2
320.47116	0.5
337.86334	0.5
386.36041	0.5
407.09821	1.1
423.05875	0.8
433.07468	0.6
451.08545	5.3
465.06766	50.5
466.07108	5.0
483.07977	1.9
541.13354	0.9
559.10858	1.1
601.43451	0.6
603.09998	53.9
603.25873	15.2
604.10309	6.2
604.26965	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	603.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11811	0.2
57.26571	0.3
62.12614	0.3
85.02912	0.3
95.01340	1.0
98.21819	0.9
102.06007	0.2
103.36655	0.3
107.01394	0.4
111.00858	0.3
117.03439	0.5
123.00922	2.3
124.01677	1.8
125.02483	1.3
129.03462	0.8
129.53645	0.3
133.02863	0.4
137.02396	0.8
139.00327	0.6
139.03981	0.7
145.02933	1.9
147.04477	0.9
149.02339	0.4
157.02878	0.9
160.01608	0.4
161.02391	1.1
163.00346	0.8
163.03981	1.2
165.01874	0.6
166.99835	0.5
169.01414	1.4
171.00743	0.3
173.02470	1.9
175.04002	0.6
177.01860	0.4
179.03537	0.6
185.02452	2.5
189.01892	1.1
190.02528	0.4
191.03551	1.8
199.00304	0.3
200.01074	0.4
201.01982	2.9
203.03493	1.2
209.00836	1.0
213.01968	0.5
217.01422	1.6
219.02907	0.9
221.00752	0.3
223.02423	0.4
226.99919	0.7
228.00594	0.4
229.01453	5.1
230.02060	0.5
231.02927	1.1
235.02480	0.5
237.10535	0.4
244.00175	0.5
245.00958	2.7
247.02383	0.5
249.03984	0.6
257.00934	4.1
258.01544	0.6
263.01926	1.0
270.98886	1.1
271.99213	0.3
273.00439	0.8
274.01132	0.9
274.99051	0.6
275.02005	7.6
283.99686	3.1
288.99863	0.4
299.99167	3.2
300.99921	100.0
302.00235	6.3
433.04242	0.8
552.83215	0.3
575.07269	0.3
603.10077	18.4
604.09979	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	603.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73415	0.3
69.49372	2.2
79.58195	0.4
80.73336	0.4
81.06548	0.3
81.43611	0.4
93.67580	0.4
95.01296	1.0
98.12005	0.4
98.21821	0.4
107.01299	0.4
109.02859	0.4
111.00699	0.3
111.41503	0.4
117.03416	0.5
121.02876	0.4
123.00881	1.9
124.01649	3.1
125.02453	2.3
129.03377	0.5
135.04411	0.5
137.02365	1.6
139.03929	0.6
145.02974	2.4
147.04462	1.2
148.54808	0.4
149.02359	0.4
157.02843	0.8
157.89853	0.3
161.02382	1.0
161.26105	0.4
163.00281	1.3
163.03908	1.6
165.01909	1.9
169.01437	2.2
173.02492	2.5
175.03934	1.3
177.01848	1.1
179.03442	1.0
185.02425	2.7
189.01892	1.1
190.02676	0.4
190.99971	0.4
191.03493	3.6
200.01108	0.4
201.01947	2.9
203.03409	0.9
209.00888	2.2
213.01875	0.7
217.01369	1.6
219.02863	1.3
223.02382	0.9
229.01439	4.6
230.02107	0.5
231.02928	0.9
235.02356	1.0
245.00882	2.9
247.02393	0.7
249.04037	0.7
257.00980	3.4
258.01547	0.7
263.02008	2.1
273.00336	0.5
275.01941	6.9
276.02167	0.5
283.99728	2.3
288.99814	0.6
299.99097	2.7
300.99902	100.0
302.00278	6.2
335.04010	0.5
433.04349	0.7
561.06134	0.5
573.91278	0.4
575.06836	0.7
590.56799	0.4
603.10114	16.7
604.10168	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	603.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98822	0.5
65.78933	0.8
67.01865	0.6
68.99799	0.5
69.03451	1.4
69.61811	1.1
69.62216	2.0
71.01383	3.8
72.99326	0.6
81.03474	0.7
83.01392	1.0
85.02959	1.2
93.03458	1.3
95.01405	2.4
96.96002	1.8
97.02956	1.3
98.19621	0.6
98.21867	0.9
101.02463	1.1
107.01397	7.3
108.79251	0.5
109.02998	1.2
111.00906	1.3
113.02485	0.8
117.03275	0.5
121.03067	0.5
123.00901	9.0
123.04529	1.4
124.01683	1.4
125.02459	60.0
126.02805	2.0
127.00382	0.6
135.04524	0.5
136.98822	1.3
137.02481	2.5
139.00392	3.1
140.01210	2.8
141.01941	0.8
141.99303	0.4
145.02930	0.7
149.02441	1.6
151.00386	6.1
151.04028	1.0
153.01990	0.7
161.02496	0.6
163.03984	0.8
165.01947	0.9
166.99875	1.6
167.03531	1.6
168.00676	4.3
169.01440	80.9
170.01801	2.8
177.01956	1.0
179.03435	1.1
181.01413	0.8
193.01448	4.7
195.02972	0.7
205.01511	0.5
211.02495	4.7
223.02356	1.1
235.02504	0.8
236.00514	0.4
241.03529	0.7
245.07957	0.6
253.03423	0.5
271.06076	1.5
289.07220	1.8
295.04596	2.1
296.05383	0.5
297.06168	3.4
300.99951	0.6
303.05353	0.6
313.05688	22.5
314.05963	1.2
331.06778	2.2
433.08167	0.6
441.08224	3.0
465.06760	100.0
466.07101	9.5
603.10040	2.4
603.26758	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	603.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71965	1.4
59.01358	1.5
60.78127	0.9
61.98822	2.3
64.59747	1.0
65.00316	1.2
69.03451	1.9
70.61232	1.9
70.61570	1.2
78.95944	1.0
81.03497	0.9
82.95419	2.4
89.03978	1.9
93.03465	4.4
95.01415	1.9
95.05032	1.6
107.01412	2.3
109.02962	21.0
114.39731	1.0
117.03464	1.8
121.02977	1.4
123.00919	6.0
123.04532	8.8
125.02466	60.9
126.02740	1.9
133.02969	7.4
135.04517	2.5
137.02473	5.3
140.01155	2.2
140.71201	0.9
145.03001	8.4
149.02441	2.4
151.00366	1.2
151.04012	5.2
153.01973	1.2
159.04494	1.5
161.02455	6.5
165.01974	1.2
166.99857	2.3
168.00650	2.0
169.01457	100.0
170.01746	2.9
175.03979	1.8
177.01956	67.6
178.02411	1.6
179.03642	1.3
180.00119	0.9
187.04048	1.5
189.01968	40.7
190.02731	7.8
191.03560	8.7
193.01419	9.3
193.05125	1.2
194.01712	1.2
201.01967	3.6
203.03510	4.2
211.02414	2.8
216.00726	5.7
217.01447	31.0
218.02196	1.3
219.03012	9.9
231.03036	8.9
237.05379	1.0
255.02953	3.9
275.05603	1.1
281.04459	1.5
287.05493	1.3
289.07208	1.9
295.04593	1.3
297.04050	2.6
299.05777	2.5
300.02551	1.6
313.05835	3.0
323.05624	37.0
324.06042	2.2
331.00583	1.2
341.06708	55.5
342.07114	4.6
383.04355	1.3
423.05771	6.6
433.09338	12.0
434.09506	1.1
435.10913	1.9
451.10388	56.8
452.11053	5.9
465.06744	10.2
480.84689	1.1
493.07513	7.4
494.08191	1.5
505.48538	1.1
603.11444	35.8
603.22540	3.7
604.11798	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	603.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57939	1.0
56.93787	1.1
59.01371	1.6
61.94989	1.0
71.01382	1.3
75.50639	1.1
79.63751	1.3
91.01905	1.9
97.94883	1.2
98.21751	3.1
98.22453	4.4
99.00875	3.4
117.03474	1.8
123.00897	2.7
125.02515	1.4
129.01984	1.6
134.00168	1.3
135.00934	2.4
137.02460	8.1
145.02930	3.0
147.00832	1.4
147.04550	3.5
157.03001	3.2
159.04530	3.1
163.00383	36.8
163.04007	1.7
164.00983	2.6
165.01923	7.4
173.02434	5.1
175.04034	3.6
177.01964	2.1
177.99078	3.1
185.02483	6.9
189.01942	3.4
190.99864	3.2
191.03491	4.6
193.01434	2.2
201.01958	9.5
203.03500	9.7
206.99344	4.8
208.00079	2.2
209.00957	5.2
213.02007	4.5
217.01410	4.7
218.99414	1.8
219.03093	2.5
222.86916	1.1
229.01433	17.6
231.02945	7.9
237.00478	2.2
245.00929	6.6
247.02458	3.1
257.00931	44.7
258.01532	4.2
273.00433	6.8
274.01169	1.6
275.01996	74.2
276.02399	3.3
283.99719	3.2
290.47684	1.3
293.03110	2.0
299.99216	3.1
300.99915	100.0
302.00305	5.9
318.89960	1.2
319.00848	3.6
473.10880	9.9
474.11667	3.3
475.12402	2.1
503.12152	3.3
541.13715	2.8
557.13593	1.7
559.14514	12.0
571.11133	1.9
575.13495	1.9
585.12531	22.6
586.12640	1.6
603.13519	27.8
604.13885	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	603.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.5
63.02390	1.1
65.00326	1.4
71.01379	2.3
73.02944	3.5
73.59756	0.8
83.01399	1.3
83.05042	1.5
85.02966	1.1
93.03470	13.1
98.22298	6.0
99.00912	1.1
101.47298	0.8
107.01416	4.0
108.02178	1.3
109.02985	3.0
111.04551	11.2
121.02966	2.1
123.00850	1.0
125.02483	4.0
137.02460	2.1
144.65012	1.0
145.03033	1.0
148.01677	1.8
151.00372	11.3
155.03563	2.0
161.02493	1.4
163.00388	3.2
164.01094	1.5
164.51936	0.8
165.02008	1.0
169.01445	3.9
172.87512	0.8
173.04588	3.6
175.04129	1.4
178.99883	6.7
184.89391	0.9
185.02562	0.9
190.99887	1.1
191.03488	1.0
199.04021	2.6
201.01920	0.9
211.04050	1.0
215.03590	1.8
226.02695	2.0
227.03525	3.0
243.02951	11.3
245.00856	1.4
245.04376	1.2
254.02269	2.9
255.03006	26.7
256.03394	1.7
271.02490	63.8
272.02957	6.5
273.00375	0.9
273.04031	1.1
275.02206	1.0
283.02429	1.7
284.03119	1.0
299.02029	19.9
300.02771	100.0
301.00046	3.8
301.03485	54.6
302.00558	0.8
302.04016	3.6
311.09161	1.1
341.13858	2.5
429.08353	7.2
447.09366	89.1
448.09717	9.0
554.94855	0.9
567.11676	2.9
585.12634	9.7
586.13409	1.4
603.13696	28.3
604.14246	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	603.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98077	0.4
57.03448	3.1
59.01371	0.6
69.03465	1.5
70.96307	0.5
70.96648	0.4
71.01395	0.7
71.23210	0.3
74.99857	0.3
79.01894	0.7
81.03473	1.8
83.01397	1.6
84.18935	0.3
85.02941	0.4
93.03476	1.0
95.01385	0.8
95.05022	0.9
97.02962	1.8
97.84873	0.4
100.44353	0.3
101.02457	0.4
107.01404	2.1
109.02965	4.4
110.00266	0.3
111.00912	1.1
113.02425	0.4
117.03474	0.4
121.02949	0.9
123.00904	3.3
123.04520	2.4
124.01720	0.8
125.02459	72.8
126.02770	1.8
126.50884	0.3
135.04570	0.7
137.02461	7.4
139.00385	1.1
139.04033	0.5
140.01151	1.0
141.01918	0.4
143.17786	0.4
145.02968	4.7
146.03711	0.8
149.02415	2.2
150.03226	0.7
151.00357	2.0
151.04019	4.6
157.06589	0.4
159.04539	2.8
160.05254	0.5
161.02460	1.1
161.06102	2.6
164.01144	0.8
165.01910	1.4
166.99835	0.8
167.03520	0.4
167.04778	0.4
168.00664	1.2
169.01440	100.0
170.01761	3.2
175.03992	0.4
177.01936	0.7
179.03537	1.1
183.04483	0.8
185.06081	1.5
187.04007	1.5
188.04765	0.7
191.03542	0.4
193.01389	5.3
199.03973	0.4
201.05630	1.1
203.07164	2.9
205.01396	0.6
205.05064	0.9
209.06070	0.9
211.02356	0.5
211.04077	0.6
213.02002	0.4
225.05571	0.5
227.07146	1.2
229.05052	0.7
230.02142	0.5
245.04507	0.7
245.08141	3.1
253.05177	3.4
259.06116	0.7
270.99069	0.3
271.06165	11.6
272.06540	0.8
287.05594	0.9
289.07211	16.6
290.07498	1.0
298.98190	0.6
300.99820	0.4
303.05069	2.2
313.05582	3.2
314.00769	0.5
315.05157	0.5
331.06827	17.0
332.07010	0.6
355.06744	0.4
395.11136	0.8
397.09225	1.7
425.71686	0.4
441.08313	25.0
442.08688	2.9
449.07928	0.4
451.08725	1.1
465.06635	12.7
466.07043	1.1
491.07904	0.4
546.94458	0.4
575.07629	0.4
603.13428	2.8
603.26605	8.9
604.26428	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	603.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04738	0.5
59.01370	1.7
61.98820	0.7
66.84243	0.5
67.06210	0.4
67.94363	0.5
68.99817	0.5
69.03450	1.0
69.44934	0.5
71.01376	2.6
72.87900	0.5
72.99299	1.1
77.17912	0.5
79.01912	1.2
83.01393	1.1
85.02965	1.7
86.08424	0.5
87.00898	0.6
89.02435	1.1
93.03479	0.9
95.01400	2.5
97.02950	0.7
101.02444	0.6
107.01398	8.9
109.02957	1.0
111.00886	3.6
113.02483	0.9
116.92847	1.1
123.00896	13.4
124.01737	2.5
125.02463	49.2
126.02798	1.2
127.00410	1.8
136.98837	1.7
137.02457	1.4
137.06104	1.3
139.00398	5.5
139.04089	0.7
140.01189	6.1
141.01956	1.5
149.02408	0.8
151.00383	8.6
153.01875	0.7
154.19464	0.5
163.04108	0.6
165.01996	0.9
166.02695	0.6
166.99907	1.7
167.03543	1.5
168.00653	9.1
169.01439	54.3
170.01784	2.2
171.01886	0.7
175.04004	0.7
180.01686	0.5
193.01437	0.9
203.03468	0.7
211.02493	5.4
241.03519	0.7
245.00888	0.6
253.03502	0.6
271.04709	2.0
274.01315	1.5
289.03546	1.4
295.04782	1.1
297.06253	1.4
313.05606	5.7
387.14581	1.2
433.11719	3.2
451.12848	12.7
452.12875	1.6
465.06668	3.4
603.13654	100.0
604.13965	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	603.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03363	0.5
69.03362	0.5
69.04626	3.4
69.05034	0.9
71.01271	0.9
81.03326	0.5
83.01276	0.9
95.01316	0.9
97.02824	1.1
107.01244	2.6
109.02805	3.3
113.02368	0.5
121.02861	0.7
123.00736	4.3
123.04377	4.3
124.01492	3.1
125.02293	18.2
135.04390	0.7
137.02461	8.4
139.00267	0.9
139.03865	1.5
140.01018	0.5
141.01762	0.5
145.02809	1.4
149.02275	1.2
151.00218	1.3
151.04034	13.1
151.05148	0.7
153.01802	0.5
157.02802	0.7
159.04353	0.5
161.02338	1.1
161.06017	1.0
163.03860	0.8
164.01085	0.7
165.01886	1.0
166.99745	0.6
167.03415	0.9
168.00517	1.2
169.01451	21.5
170.01752	0.9
170.41486	0.5
173.02451	2.2
175.00287	0.4
175.03827	0.6
177.01833	0.8
179.03340	1.4
185.02531	2.7
187.03850	0.9
188.04727	1.0
189.01784	0.6
190.02538	0.6
191.03433	0.8
201.01982	2.7
203.03307	0.9
203.07190	2.4
205.04959	1.7
211.02472	0.8
217.01369	0.9
219.02885	0.5
221.08083	0.6
229.01427	5.0
231.02887	0.6
245.00813	2.0
245.08253	4.1
246.08524	0.6
247.02344	0.6
249.75377	0.5
253.03369	0.6
257.00967	3.5
258.01416	0.6
273.00323	1.0
275.02054	5.1
283.99670	3.1
289.07193	7.2
290.07355	0.6
299.99088	3.1
300.99924	100.0
302.00284	7.6
313.05685	13.6
314.06064	1.3
451.12747	1.8
465.10431	5.9
466.10892	1.0
603.13794	36.2
604.01208	0.5
604.14117	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	603.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26416	0.6
61.98844	0.8
63.72867	0.7
63.73242	0.8
65.00332	2.4
65.44315	0.9
68.98756	2.4
68.99176	6.7
71.51617	0.7
78.95888	0.9
82.95430	1.2
83.01404	1.8
107.01416	2.8
119.05073	0.8
121.02976	3.1
123.04514	0.7
125.02454	2.2
137.02469	1.1
140.01224	1.2
147.04565	0.9
151.00403	12.1
155.03539	2.3
161.02460	1.2
169.01457	3.0
175.04010	1.6
175.73485	0.9
177.26082	0.9
178.99838	5.5
181.86656	0.9
190.02736	1.6
191.03479	2.0
201.01965	2.2
203.03543	3.3
218.02240	1.0
219.03035	1.4
228.00780	0.8
229.01453	8.0
231.02965	1.5
245.00728	1.1
257.00961	10.1
258.01697	2.5
273.00403	1.0
273.03989	1.1
274.01260	8.7
275.02005	100.0
276.02383	5.0
284.25107	0.8
299.01855	1.1
301.03595	26.0
302.03891	2.2
314.07474	1.0
315.05084	0.9
567.24438	2.6
599.55310	1.0
603.17316	12.5
604.17969	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	603.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
59.01390	3.1
61.98824	0.5
63.48430	0.5
65.00304	0.6
69.03479	0.9
69.24423	4.1
71.01385	4.8
72.99316	0.7
73.02950	1.9
73.67560	0.6
75.00879	0.6
79.01905	1.3
83.01399	0.7
85.02954	2.3
87.00878	0.9
89.02456	1.5
95.01365	3.1
97.02949	1.9
99.00898	0.6
101.02470	2.6
107.01404	7.2
109.03008	0.7
111.00903	1.9
113.02465	1.8
119.03523	0.7
123.00011	1.2
123.00900	17.8
124.01717	1.0
125.02462	25.9
127.00375	0.8
136.98816	1.3
137.02425	0.7
139.00400	5.2
140.01189	3.0
141.01985	2.8
151.00388	11.1
151.01576	1.0
153.01956	1.1
161.04599	0.6
165.01950	0.7
166.02739	1.5
168.00662	3.9
168.52127	0.5
169.01440	34.6
170.01715	0.7
181.05110	1.9
185.11810	0.8
205.80536	0.5
211.02505	9.6
211.04372	0.9
247.89238	0.5
271.02106	1.0
271.04678	9.9
274.01196	1.1
289.14261	0.6
300.02847	0.7
313.05722	2.3
315.05206	0.6
373.07925	1.6
465.06482	0.6
603.23035	100.0
604.13788	0.7
604.23364	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91546	3.4
52.92413	3.2
52.92779	3.1
59.01381	5.8
60.99292	12.9
70.85604	7.5
78.95903	14.8
85.00446	10.2
88.98815	100.0
89.02448	25.6
108.66133	3.7
110.39613	3.6
142.69304	3.7
152.99614	8.2
158.02567	4.0
171.10294	11.1
256.61023	3.6
458.39462	4.1
463.20267	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97028	4.4
60.99304	16.0
77.42091	4.0
79.56632	4.4
85.00425	6.2
87.00896	6.5
88.98817	100.0
89.02452	63.4
114.13501	3.9
132.20601	4.8
228.66122	5.5
357.92361	4.3
552.21741	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	604.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	11.9
70.03006	5.2
72.00914	2.6
81.41075	1.2
91.05550	2.2
98.21605	1.0
107.01414	1.9
123.00914	2.2
125.02458	4.9
137.02376	1.1
145.02945	2.1
147.04541	21.5
148.04883	1.3
151.00316	1.2
163.00406	1.4
163.04147	1.3
164.07179	56.3
169.01393	6.3
173.02353	1.5
177.01936	1.2
189.01926	1.5
191.03499	3.7
201.01949	1.8
203.03560	1.1
206.08235	100.0
207.08624	5.0
209.00983	1.4
217.01482	4.9
219.02982	3.3
245.00879	6.0
247.02490	27.5
257.00961	1.3
273.00418	18.4
275.02087	2.6
276.02621	1.1
291.01517	7.9
300.99890	7.7
302.00259	3.4
342.04556	1.0
435.05780	2.3
453.06778	4.5
496.52579	1.2
555.85150	1.2
573.09027	1.3
604.10181	1.8
605.08832	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	605.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14565	0.7
85.02935	0.7
88.98782	1.2
91.96465	0.9
93.97082	0.7
107.01384	1.5
117.03468	1.6
119.05046	1.3
123.00887	0.8
125.02446	5.6
133.02975	1.0
135.04475	1.0
137.92857	0.6
145.02939	3.8
147.04539	3.6
161.02438	1.3
163.04028	1.5
169.01456	4.5
170.25574	0.6
173.02452	5.4
174.03059	0.7
175.00331	2.1
175.03993	2.6
176.01085	1.5
177.01880	3.5
178.48703	0.7
189.01918	2.5
190.02708	8.5
191.03517	30.4
192.03911	1.4
201.02000	3.8
203.03587	3.0
204.00667	0.8
205.01375	3.7
217.01431	5.0
218.02170	2.4
219.03006	21.6
220.03409	0.9
221.89479	0.6
222.01706	2.5
229.01428	16.4
229.13530	0.6
235.02367	0.8
238.33611	0.6
245.00938	3.3
246.01628	0.8
247.02492	100.0
248.02805	4.4
263.01868	1.7
273.00418	2.6
305.03180	0.7
333.02524	1.1
365.05200	0.6
393.04611	2.1
401.94083	0.7
435.05707	1.2
453.06796	6.2
454.07010	0.8
469.53116	0.6
605.07910	70.9
606.08240	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	605.0788
Annotation	Neobulgarone E
Peak:m/z	Relative Intensity
85.02973	1.1
85.70630	0.7
88.98815	3.9
91.96526	0.7
96.95984	1.1
105.03350	0.8
106.80714	0.8
107.01391	1.6
113.02434	1.0
119.05005	0.9
125.02461	8.4
133.02988	1.8
135.04478	1.1
145.02994	3.9
147.04547	2.6
148.42670	0.8
149.02460	0.9
156.44798	0.7
161.02454	1.3
161.59734	0.7
163.04039	2.0
169.01425	8.3
173.02441	3.2
174.03209	0.8
175.00352	1.4
175.04024	2.6
176.01151	1.9
177.01953	4.2
179.03539	1.1
189.01994	3.1
190.02716	8.3
191.03516	35.3
192.03835	1.3
201.02000	1.9
203.03590	3.4
205.01445	3.9
217.01408	3.2
218.02173	3.2
219.03004	23.7
220.03267	1.1
222.01695	2.2
229.01434	15.6
230.01799	1.0
235.02490	0.9
245.00876	2.4
246.01479	0.8
247.02489	100.0
248.02863	5.3
259.02600	1.1
261.04105	1.1
263.02023	2.2
273.00421	2.4
277.61011	0.8
289.03534	1.3
291.01453	1.3
320.09647	0.8
333.02551	1.3
363.03806	1.4
369.18344	0.9
393.04507	2.1
453.06589	4.4
521.77478	0.9
605.07855	73.0
606.08258	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	605.0791
Annotation	Neobulgarone E
Peak:m/z	Relative Intensity
71.01375	0.8
85.02993	0.8
85.54442	0.5
89.11784	0.6
98.21803	1.2
107.01402	1.7
117.03487	0.6
119.05050	1.5
123.00894	1.4
125.02467	5.5
128.51070	0.5
130.81111	0.5
133.03023	1.0
135.04631	1.1
145.02982	2.9
147.04582	2.5
149.02478	0.5
159.04556	0.9
161.02423	1.5
163.04034	2.6
165.01915	0.6
169.01447	6.3
173.02402	4.1
173.47842	0.4
175.04005	3.3
177.01984	1.1
189.01970	4.4
190.02664	2.5
191.03522	12.6
192.00598	0.6
192.03844	0.7
193.01395	0.8
201.01945	2.4
203.03563	2.6
205.01387	1.0
216.00864	0.6
217.01436	10.4
218.02077	1.5
219.03001	7.9
220.03419	0.6
221.04549	5.4
229.01433	3.4
235.02478	0.7
245.00929	13.0
245.03362	0.9
246.01601	1.8
247.02489	100.0
248.02786	5.3
258.79834	0.6
271.04550	0.7
273.00433	34.3
274.00754	1.6
291.01505	28.6
292.01865	1.8
300.99823	0.8
302.00140	0.7
313.05765	0.7
331.06815	0.5
333.02722	1.8
336.10199	0.5
391.06760	0.8
393.04752	1.8
435.05560	3.6
453.06839	9.2
454.06973	0.7
465.75247	0.7
515.85449	0.6
545.05585	1.5
577.23999	0.6
587.07025	0.7
605.07813	29.9
606.08179	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	605.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88655	0.9
54.23953	0.8
65.13057	0.8
67.01905	1.0
68.97180	0.9
68.97516	9.5
71.01377	3.1
79.01925	1.0
81.03505	0.8
85.02945	1.3
95.01382	1.6
97.02994	1.4
98.21761	1.2
101.02419	0.9
107.01395	6.5
111.00895	1.6
113.02462	1.2
121.02988	1.1
123.00907	7.9
124.01670	3.7
125.02465	42.3
126.02816	2.0
135.04535	1.0
136.98831	1.0
137.02403	1.7
139.00383	2.4
139.03992	1.8
140.01178	2.7
145.02933	2.1
147.04526	2.3
151.00380	3.8
161.02452	1.7
163.04047	2.2
164.87843	0.8
165.01843	1.0
166.99835	1.3
167.03485	2.0
168.00647	3.1
168.88318	0.8
169.01442	52.7
170.01793	1.9
173.02422	3.2
175.03989	2.1
177.01956	1.7
178.99748	0.8
179.03423	0.7
183.03004	1.1
189.02007	2.3
190.02716	1.6
191.03540	9.7
192.00696	0.9
193.01479	2.1
201.01932	2.0
211.02458	3.1
217.01421	11.1
219.03027	4.4
223.02538	1.3
229.01437	1.4
245.00920	11.7
246.01717	1.6
247.02490	100.0
248.02888	6.3
253.03490	0.9
273.00436	31.0
274.00632	2.5
291.01514	34.4
292.01730	2.3
293.84073	0.9
295.04550	1.1
297.06219	2.2
313.05698	14.3
314.06351	1.0
333.02762	1.6
363.03452	1.7
393.04736	1.6
417.04883	2.0
435.05905	8.1
453.05560	7.3
453.11227	2.6
465.06796	42.8
466.07095	4.1
605.11194	30.9
606.11487	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18956	1.1
56.98797	1.1
67.06261	1.0
71.25395	1.5
96.96018	2.3
99.00906	2.0
108.02180	3.0
109.02972	4.5
117.03507	1.4
123.00889	2.5
125.02487	2.4
129.03433	1.1
137.02470	10.8
141.21487	1.1
145.03008	3.9
147.00899	1.7
147.04573	2.1
157.02962	2.3
163.00388	10.8
163.04034	1.5
165.01984	11.3
169.01427	3.6
173.02489	3.6
175.03986	1.8
179.27261	1.1
180.81444	1.0
185.02495	4.6
189.01923	2.3
190.99944	4.0
191.03476	1.9
193.01448	4.6
201.01982	8.6
203.03596	2.6
208.00182	3.3
209.00935	7.0
217.01485	3.8
218.01857	1.1
218.99492	1.4
219.03143	1.7
220.73225	1.1
226.06491	1.3
229.01485	13.5
231.02980	2.2
237.00406	2.5
245.00908	8.1
246.01509	1.2
247.02527	4.1
253.93817	1.2
257.00970	18.9
258.01651	4.2
273.00443	8.4
274.01245	3.2
275.02008	43.9
276.02222	1.7
283.99619	1.4
289.03387	1.5
299.99017	2.1
300.99927	100.0
302.00101	6.8
333.02530	7.0
420.29562	1.3
489.10580	2.0
511.28751	1.2
530.49506	1.2
545.09460	4.5
573.08826	16.5
574.09662	2.7
577.12238	3.0
605.11584	24.1
606.11865	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	1.8
69.03453	1.2
71.01384	2.9
71.26490	1.2
73.02947	1.0
75.45327	0.7
79.01910	1.8
83.01427	1.7
85.02962	1.8
87.00898	0.8
89.02432	0.7
95.01416	2.6
97.02977	2.6
99.00886	0.9
101.02439	1.7
107.01396	10.6
109.02981	1.7
111.00908	4.3
113.02493	1.6
117.03442	0.9
123.00894	13.4
124.01683	10.4
125.02460	58.5
126.02804	1.7
127.00363	1.3
136.98824	2.6
137.02464	1.5
139.00348	5.8
139.04012	3.9
140.01187	4.3
141.01884	1.3
145.03015	0.8
147.04564	0.8
151.00388	7.0
151.03975	0.9
157.02946	1.2
161.02655	0.8
163.04062	1.0
165.01869	1.2
166.99901	1.3
168.00679	9.8
169.01439	67.9
170.01842	1.7
173.02492	0.8
175.04077	1.5
179.03494	0.9
183.02991	4.7
183.66954	0.7
185.02486	1.2
189.01985	1.3
191.03503	1.9
193.01477	0.8
201.01971	3.2
203.03523	1.2
209.00946	0.7
211.02460	1.1
217.01379	2.0
223.02383	0.8
223.24789	0.7
229.01410	3.3
237.04007	1.7
245.00960	3.2
246.01538	0.7
247.02489	2.8
257.00983	4.8
258.01572	0.7
273.00385	8.1
274.01038	0.8
275.01990	10.6
276.02124	0.8
283.99515	0.9
285.06430	0.9
297.06305	1.4
300.99918	30.7
302.00354	1.6
313.05719	8.4
314.05814	0.8
327.07190	1.1
364.63431	0.9
453.10449	23.6
453.16458	1.6
454.10806	1.8
465.06763	2.1
545.09326	1.4
573.08881	6.8
605.11542	100.0
606.11890	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	605.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
59.01384	0.6
65.78919	0.6
67.01910	1.3
67.54565	0.5
69.03462	1.6
69.23524	0.5
71.01392	6.6
71.08823	0.6
72.99316	0.5
73.02935	0.9
79.01923	1.1
81.03483	0.5
83.01406	0.6
85.02965	1.6
87.00850	0.7
95.01395	3.0
101.02480	1.7
102.46083	0.5
107.01407	9.9
109.02941	0.7
110.00053	0.5
111.00911	2.9
113.02455	1.7
121.02971	0.8
123.00890	13.5
123.04504	0.6
124.01701	3.9
125.02461	63.1
126.02817	1.3
127.00390	1.3
136.98827	1.2
137.02486	1.1
138.54816	0.5
139.00388	4.6
139.04041	1.3
140.01207	3.4
141.01955	1.5
149.02432	1.2
151.00385	7.9
151.03938	0.7
153.01923	1.3
161.02585	0.5
165.01982	1.6
166.99904	2.0
167.03572	2.5
168.00676	6.1
169.01447	83.6
170.01805	2.5
177.01773	0.7
179.03581	1.2
181.01433	0.6
183.03053	0.7
191.03496	0.7
193.01413	5.4
211.02536	5.5
223.02547	2.3
235.02612	0.7
238.50340	0.5
241.03650	0.7
247.02583	2.0
253.03613	1.1
295.04639	1.8
297.06192	2.6
313.05698	30.4
314.06003	2.2
453.10333	3.4
465.06772	100.0
466.07156	11.5
489.61401	0.5
504.59265	0.6
605.11542	24.2
606.11823	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	607.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50067	0.9
60.99316	18.3
63.42258	0.9
78.88796	0.9
88.98817	100.0
96.96026	3.4
109.33697	1.0
145.02988	1.3
151.00392	4.3
178.99908	2.1
181.96596	1.1
226.02826	1.7
243.02974	4.8
255.03018	12.7
271.02505	28.7
272.03015	2.0
300.02789	56.3
301.03372	14.1
360.92267	2.2
389.92511	1.7
475.08997	2.5
517.09906	58.7
517.74323	1.2
518.10437	6.0
637.26257	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	607.131
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
51.03945	1.5
51.23161	1.5
56.75657	1.5
59.01383	1.7
60.14410	1.8
65.00340	2.7
69.09039	6.1
69.09460	9.2
93.03450	4.2
96.96026	2.1
107.01376	5.5
109.02969	5.4
111.00908	3.4
121.03001	2.8
123.00925	4.1
123.04601	1.8
125.02463	19.6
135.00922	1.6
135.04553	4.2
137.02466	4.2
139.00415	1.7
146.82707	2.0
149.02515	1.8
151.00388	30.0
151.04124	1.8
153.01970	1.8
159.04593	2.0
163.00392	4.3
168.00696	2.5
168.91058	1.8
168.93242	1.7
169.01456	23.9
178.99835	12.1
179.03505	4.5
193.01405	2.2
199.03986	2.1
226.02745	2.6
227.03510	6.8
243.03073	14.5
245.04552	2.4
255.03020	32.4
271.02502	70.7
272.02997	6.7
273.04016	2.2
283.04654	6.5
289.07104	3.4
299.01996	9.4
300.02774	100.0
301.00238	2.4
301.03516	71.4
302.03955	5.7
323.01727	5.2
390.15463	1.9
421.60074	1.9
432.80093	1.7
441.08765	2.1
475.08881	4.0
503.87936	1.9
565.12091	4.9
607.13855	72.8
608.14337	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	607.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74311	1.1
61.98817	2.7
66.08282	1.0
69.11642	3.4
69.12063	6.3
92.30023	1.2
98.21774	2.5
116.92839	4.4
125.02438	3.7
135.04576	1.5
151.04027	2.2
153.01953	2.5
158.93918	2.8
167.03519	1.7
169.01425	4.0
194.13551	1.2
214.05212	1.5
216.11356	1.1
237.01894	1.1
243.32535	1.1
265.05099	1.8
266.05762	1.6
269.04593	4.1
292.06314	1.3
299.01868	1.6
310.07272	2.7
313.05518	1.3
320.05627	3.4
321.06302	2.4
322.07211	32.2
323.07529	3.2
332.05801	1.3
347.06683	1.2
348.05240	1.3
377.11444	2.1
381.04962	4.8
428.11398	4.1
429.12061	6.2
430.12625	1.7
444.14670	7.0
456.10843	7.0
470.12668	2.7
473.13495	3.1
474.14014	1.2
475.16293	1.4
485.13394	2.9
502.85748	1.5
551.45465	1.3
571.14966	1.6
592.18018	1.8
607.20929	100.0
608.21350	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	607.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16687	0.4
55.04511	0.3
60.50033	0.3
69.18676	2.8
93.20249	0.3
98.04365	0.3
98.21745	0.4
121.74162	0.3
136.04034	0.3
161.02417	0.4
162.50716	0.3
179.03549	0.4
194.58377	0.3
213.90756	0.3
214.05099	1.5
227.05888	0.5
249.05597	0.5
249.69124	0.4
251.06595	0.4
252.06671	0.8
257.05896	0.5
263.03394	0.5
264.04144	0.4
264.06723	0.4
265.05048	1.5
266.05859	2.1
266.08252	0.5
267.06570	0.7
269.04471	2.8
279.06573	1.4
280.06348	0.6
281.08286	0.7
282.07837	0.4
290.05930	0.4
292.06152	2.1
293.04510	1.2
293.07275	0.7
294.07947	1.7
297.31143	0.3
304.06265	1.3
306.07983	0.4
308.05716	1.0
309.06042	0.3
310.07297	3.7
311.07608	0.4
320.05643	3.4
321.06421	1.1
322.07217	33.7
323.07550	3.1
324.09039	0.8
331.05133	0.4
332.05707	0.7
334.07098	0.8
335.07394	0.6
336.05167	1.8
336.08820	1.1
337.09036	0.5
348.04993	1.9
349.05676	0.6
350.06607	1.0
367.09494	0.7
373.13422	0.5
377.11505	2.0
381.04898	6.1
399.10617	0.4
400.11835	0.8
401.12442	0.5
402.13177	0.4
407.05457	0.4
428.11371	2.8
429.12158	5.3
430.12674	2.6
442.13007	1.1
443.13409	0.6
444.14551	7.9
445.14581	1.2
454.09351	0.8
455.09796	1.8
456.10919	9.9
457.11157	0.6
470.12357	3.5
471.12939	0.8
473.13513	3.6
485.13660	4.6
486.14154	0.7
509.17383	0.8
520.15942	0.4
524.88141	0.4
549.17206	0.4
591.17767	1.3
592.18414	1.4
600.86334	0.4
607.20892	100.0
608.21252	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	22.8
59.01369	1.5
61.98836	2.7
63.02403	1.7
65.00330	0.8
65.03972	4.0
67.01900	3.3
68.99818	1.1
69.03461	11.4
69.08509	4.5
71.01392	8.5
71.05016	0.6
78.95928	0.7
79.05546	0.5
81.03464	44.3
82.03800	1.4
82.95435	0.5
83.01394	8.2
83.05025	6.1
85.02952	3.1
88.98819	0.7
91.05518	0.7
93.03473	3.1
95.01357	0.5
95.05033	10.6
96.96036	2.1
97.02959	5.2
97.06610	1.6
99.04531	1.4
107.01399	1.1
107.05037	9.2
109.02959	2.2
109.06605	1.4
111.04546	1.4
113.09727	0.9
119.05028	1.9
123.04543	1.1
123.08159	1.1
125.02460	100.0
125.06091	1.9
126.01949	0.6
126.02748	2.3
133.06621	2.1
135.04535	2.6
137.06094	0.6
139.11337	0.5
141.09242	0.7
151.04019	17.1
151.07651	1.0
152.99533	0.5
155.14455	0.6
155.53775	0.4
161.06120	0.9
161.85666	0.5
164.39342	0.4
167.03477	1.3
169.01462	0.7
177.05586	9.5
179.03540	1.0
183.13945	1.3
193.05151	0.6
197.04532	0.5
205.05055	1.6
210.83722	0.5
218.30754	0.6
221.19157	1.2
223.06198	1.2
237.18681	1.5
239.20222	7.3
240.20573	0.7
241.07170	4.5
261.22522	0.6
263.20157	1.5
263.24448	0.5
279.23325	7.0
280.23709	0.7
281.21237	2.7
287.23868	0.5
289.21732	0.6
297.24585	1.1
300.02670	0.8
303.23212	1.4
305.21225	1.8
305.24509	0.9
307.22833	1.4
315.23392	1.2
321.24405	4.8
323.22363	1.9
323.25836	0.5
329.24930	0.7
331.22769	1.5
333.24292	1.7
339.23318	0.6
341.79187	0.5
347.26123	1.6
349.23901	3.3
350.24460	0.7
357.24255	2.3
359.22086	0.7
365.23322	26.7
366.23721	2.9
367.24805	1.0
375.25494	4.2
383.25839	0.8
391.25067	5.1
391.29745	0.7
393.22754	7.0
394.23666	0.9
401.27231	2.7
403.24982	0.6
407.24442	1.8
417.26184	0.8
419.24274	11.8
419.29071	0.8
420.24796	1.9
427.24976	3.6
428.24902	0.8
433.26117	0.7
437.25418	8.2
438.25812	1.1
443.28345	2.0
445.25970	19.8
446.26663	2.5
461.25009	0.5
463.27063	17.1
464.27414	2.1
479.26389	0.7
481.28113	34.7
482.28595	4.7
483.30682	0.5
484.50705	0.6
509.29575	0.7
527.29883	3.1
545.31293	3.9
553.28192	1.1
563.32452	7.4
564.32397	1.4
571.28809	1.1
589.30182	8.6
590.30823	1.6
607.31299	36.7
608.31641	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	608.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98551	0.2
68.86794	0.1
70.77539	0.2
75.29376	0.2
75.37315	0.1
112.02447	0.1
112.07770	0.2
113.12093	0.1
233.31973	0.2
390.66473	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	608.321
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	15.5
75.98825	0.7
77.48679	0.6
78.95896	3.6
88.98816	100.0
89.02457	3.8
89.99146	0.7
97.85522	0.7
98.22545	1.7
119.46358	0.6
152.99586	1.1
157.36252	0.8
259.80441	0.6
274.34738	0.7
279.23346	3.0
340.22256	0.6
418.84604	0.7
433.23825	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	609.0878
Annotation	Epigallocatechin 3,4',-di-O-gallate
Peak:m/z	Relative Intensity
57.03448	1.5
59.01393	0.4
59.65096	0.3
59.76334	0.3
61.98840	0.4
69.03458	0.8
69.19424	0.3
69.30070	0.5
69.30472	1.9
81.03448	0.8
83.01374	0.5
83.91310	0.3
85.78887	0.3
87.00888	0.9
93.03484	0.8
96.94102	0.4
96.96079	0.4
97.02931	0.4
100.64644	0.4
105.03477	0.5
107.01385	0.4
109.02985	1.2
111.00887	0.5
116.92889	0.5
123.00888	1.0
124.01715	0.4
125.02459	49.1
126.02807	1.4
129.12639	0.3
130.66412	0.3
137.02435	2.0
139.04042	1.0
149.02425	0.5
151.00394	0.8
151.04047	0.5
161.02472	4.1
165.01949	1.7
167.03511	1.4
169.01439	100.0
170.01770	2.9
175.03998	0.5
178.99786	0.4
179.03566	0.5
189.63478	0.3
193.01427	1.9
219.06694	0.8
227.03574	0.5
243.02933	0.6
254.02342	0.4
255.02942	1.8
257.04285	0.4
269.04578	1.4
271.02457	2.6
287.05536	2.5
289.07114	0.6
300.02762	5.6
301.03369	2.6
305.06683	6.2
319.04721	0.5
321.02536	3.5
326.91827	0.5
331.04651	1.6
441.07999	0.6
457.07773	15.0
458.08081	1.2
573.12146	0.4
591.38568	0.4
609.15625	4.8
630.85413	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	609.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04794	0.4
57.03444	1.3
59.01386	0.6
65.14095	0.5
67.01900	0.5
69.03461	1.0
70.75687	1.0
73.18774	0.4
81.03448	0.6
81.42464	0.5
83.01389	0.7
87.00906	0.6
93.03441	0.5
95.01412	0.8
95.05033	0.4
97.02963	0.9
105.03465	0.9
107.01393	0.7
109.02969	1.2
116.92889	0.6
119.65668	0.4
123.00872	1.2
124.01715	1.1
125.02458	55.4
126.02791	1.4
129.45787	0.4
137.02457	2.5
139.04012	0.8
140.89929	0.5
147.04543	0.4
151.04022	0.5
161.02477	4.5
164.01190	0.6
165.01950	1.7
167.03549	2.1
169.01437	100.0
170.01807	3.4
177.01945	0.5
177.05583	0.6
179.03528	1.2
193.01442	1.5
219.06694	1.4
229.01462	0.7
235.80945	0.4
243.02956	0.6
255.02928	1.2
269.04575	1.9
271.02469	2.3
287.05722	2.4
300.02780	3.5
301.03561	1.8
305.06732	6.1
306.06873	0.5
321.02509	4.3
331.04672	1.3
441.08356	0.6
457.07803	15.1
457.14236	1.0
458.08057	1.4
609.16284	2.6
610.14301	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	609.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01393	0.4
59.65096	0.3
59.76334	0.3
61.98840	0.4
69.03458	0.8
69.19424	0.3
69.30070	0.5
69.30472	1.9
81.03448	0.8
83.01374	0.5
83.91310	0.3
85.78887	0.3
87.00888	0.9
93.03484	0.8
96.94102	0.4
96.96079	0.4
97.02931	0.4
100.64644	0.4
105.03477	0.5
107.01385	0.4
109.02985	1.2
111.00887	0.5
116.92889	0.5
123.00888	1.0
124.01715	0.4
125.02459	49.1
126.02807	1.4
129.12639	0.3
130.66412	0.3
137.02435	2.0
139.04042	1.0
149.02425	0.5
151.00394	0.8
151.04047	0.5
161.02472	4.1
165.01949	1.7
167.03511	1.4
169.01439	100.0
170.01770	2.9
175.03998	0.5
178.99786	0.4
179.03566	0.5
189.63478	0.3
193.01427	1.9
219.06694	0.8
227.03574	0.5
243.02933	0.6
254.02342	0.4
255.02942	1.8
257.04285	0.4
269.04578	1.4
271.02457	2.6
287.05536	2.5
289.07114	0.6
300.02762	5.6
301.03369	2.6
305.06683	6.2
319.04721	0.5
321.02536	3.5
326.91827	0.5
331.04651	1.6
441.07999	0.6
457.07773	15.0
458.08081	1.2
573.12146	0.4
591.38568	0.4
609.15625	4.8
630.85413	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	609.125
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02424	0.8
65.00308	1.6
69.13518	5.2
83.01393	1.4
107.01382	2.6
108.02185	1.4
109.02921	1.2
115.00372	0.9
117.03502	1.2
121.02957	2.5
133.01414	1.4
135.00874	0.7
145.02968	2.9
148.01663	2.2
151.00381	12.7
163.00467	3.3
169.01462	0.8
178.99879	7.2
190.99861	0.7
199.04054	1.4
211.04036	1.4
211.09026	0.7
226.02739	1.9
227.03531	3.5
228.04041	0.7
229.05061	1.4
243.02982	12.5
244.03607	0.7
245.04240	0.7
254.02245	2.3
255.02995	26.3
256.03427	2.2
271.02496	60.9
272.03030	5.8
273.03989	1.6
283.02432	1.3
299.02103	1.5
300.02777	100.0
301.03494	39.8
302.03925	1.8
463.08865	61.9
464.09216	5.4
609.12512	49.5
609.22870	0.7
610.12988	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	609.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99247	0.6
61.98828	0.9
62.22313	0.6
63.02385	0.9
64.43894	0.6
65.00319	2.8
69.09782	3.4
69.10202	2.4
71.01416	0.7
75.79481	0.8
83.01382	0.9
91.01905	0.7
107.01411	3.2
108.02164	3.8
109.02937	3.8
115.86726	0.7
117.03455	1.3
121.02940	2.2
123.04566	0.7
125.02448	2.4
135.00888	1.0
145.02962	2.4
146.03723	1.9
147.04529	2.1
148.01659	1.5
151.00391	13.2
153.01944	2.6
155.07782	0.7
159.04535	14.8
163.00400	2.6
163.04025	1.3
164.01237	1.3
169.01421	1.4
173.06032	0.7
177.86356	0.7
178.99907	5.4
187.04099	0.7
190.99869	0.9
202.05135	3.6
203.03406	0.6
211.03979	1.2
214.05049	3.2
215.03548	1.1
216.04356	1.1
224.04758	0.6
225.05388	0.8
226.02754	1.4
227.03557	4.3
229.04903	1.1
239.07246	1.0
240.04205	1.3
241.05115	4.2
243.03000	12.7
244.03758	1.5
245.04434	1.2
249.05457	0.9
250.06345	0.8
251.07198	3.2
253.05029	3.6
254.02211	1.9
254.05957	0.8
255.03000	29.1
256.03461	1.1
266.05917	1.8
267.06647	38.1
268.07410	46.3
269.04910	1.1
269.08005	5.1
271.02505	64.5
272.03018	4.0
273.04083	0.9
281.08194	2.5
283.09781	97.5
284.10178	6.0
299.02094	1.9
300.02780	100.0
301.03513	44.8
301.07108	0.9
302.03906	2.4
322.07208	5.0
322.10913	11.2
429.11981	1.3
430.12946	3.8
431.13559	1.1
444.14627	1.7
446.16129	32.7
447.16293	3.8
463.08875	64.2
464.09131	5.7
609.12537	43.0
609.22491	98.3
610.12811	5.8
610.22858	13.2
623.42859	0.8
634.81146	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	609.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77626	1.2
57.03456	12.2
69.68604	4.0
71.95818	1.0
81.03465	2.0
83.01424	3.3
93.03465	2.9
95.01437	1.2
95.05045	1.4
97.02965	2.1
98.21838	1.3
105.03515	1.2
107.05061	1.3
109.02961	13.0
111.04517	2.6
119.05038	1.3
120.43425	1.0
121.02936	5.1
123.00898	3.5
123.04571	1.6
124.01649	2.6
125.02463	100.0
126.02808	2.6
133.02965	2.2
137.02469	24.5
138.65332	1.1
139.04060	12.7
149.02437	8.2
151.04041	6.9
159.04572	2.1
161.02422	3.9
163.04013	1.9
164.01172	4.7
165.01962	12.4
166.02559	1.5
167.03537	13.0
169.01534	1.5
175.04079	7.2
177.01953	70.6
177.05457	2.4
178.02371	2.6
179.03520	8.3
187.04050	4.0
191.03429	1.6
191.07101	1.8
199.04041	1.9
201.05602	1.6
203.03554	3.1
204.04227	1.6
211.04054	1.3
213.05640	1.2
215.03497	2.5
217.05151	1.7
219.02968	1.5
219.06662	6.4
221.04533	5.1
227.03482	1.8
228.04398	2.2
229.05096	2.9
231.02914	1.3
243.03033	7.2
243.06642	1.5
255.03008	19.7
256.03732	6.2
257.04575	2.9
261.04141	3.1
261.07758	1.7
264.11221	1.1
269.04572	3.6
273.04126	5.0
283.02451	13.2
285.04132	4.7
297.04169	8.1
303.05133	7.2
305.06693	65.8
306.07007	4.0
315.05161	1.9
319.63342	1.2
329.25323	1.3
333.90759	1.2
355.08328	2.4
397.09146	2.5
423.07254	89.4
424.07593	7.2
441.08261	21.9
442.08759	1.8
465.08109	1.7
483.09335	5.9
484.10013	1.8
558.29181	1.3
609.11975	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	609.1255
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
57.03448	11.7
69.67602	0.9
69.67931	6.7
78.74693	1.2
80.18443	1.1
80.99472	1.1
81.03445	2.2
83.01379	2.3
89.66015	1.0
93.03476	2.8
95.05011	1.2
97.02966	3.2
107.05022	1.1
109.02959	15.4
110.03329	1.2
111.04577	3.4
117.29309	1.1
121.02953	6.6
123.00920	3.8
124.01665	2.1
125.02458	100.0
126.02782	2.9
135.04529	1.8
137.02460	28.4
139.04030	14.1
149.02464	7.7
151.04010	5.2
161.02441	3.1
163.04033	3.1
164.01192	3.7
165.01971	13.5
166.02710	1.8
167.03502	11.9
169.35982	1.2
173.06146	1.3
175.04042	9.1
175.07808	1.3
176.01248	1.1
177.01941	80.1
177.05530	3.4
178.02440	3.3
179.03494	9.6
181.44348	1.1
187.04007	4.4
191.03554	2.3
191.07178	1.2
193.05135	2.0
199.04001	1.3
201.05701	1.6
203.03485	2.2
204.04326	2.7
205.01379	1.5
211.03961	2.0
213.05531	1.9
215.03531	2.3
217.05009	3.2
219.06589	9.1
221.04541	4.1
225.05733	1.4
227.03580	2.3
228.04239	1.6
229.05032	4.9
232.42651	1.1
243.02980	7.8
255.02991	19.7
256.03696	5.3
257.04459	2.4
261.03989	2.2
261.07602	1.9
269.04614	3.1
271.06296	1.2
273.04156	5.3
282.01773	2.5
283.02444	12.1
285.03894	5.2
287.05807	1.9
288.02484	1.6
297.04086	7.5
299.05618	1.4
303.05179	8.5
305.06686	70.6
306.07056	4.9
315.05121	3.6
355.08304	2.3
397.09131	2.4
414.05865	1.3
423.07242	90.6
424.07483	9.6
441.08304	22.3
442.08618	1.9
465.08295	1.5
483.09317	5.7
609.12781	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	609.126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.4
61.98818	1.2
63.02408	0.9
65.00313	0.9
65.47195	0.4
71.01389	5.6
71.08987	0.7
72.99323	0.5
73.02939	1.1
76.97126	0.4
83.01362	1.3
85.02959	2.4
87.00903	0.6
89.02455	6.3
95.01397	0.8
96.96026	6.4
97.03008	0.6
100.50684	0.5
101.02454	3.9
105.03473	0.5
107.01382	2.7
109.02985	0.9
113.02480	2.4
116.75362	0.5
119.03544	2.3
121.02982	1.1
125.02451	2.0
132.02182	0.6
133.02972	16.0
134.03400	0.5
135.04535	6.8
143.03471	0.6
145.02951	0.8
149.02426	1.9
149.06029	0.7
151.00386	5.1
161.02464	23.4
161.04601	1.3
162.02788	0.7
163.00374	0.5
163.04001	0.9
169.01485	2.6
175.04111	2.6
177.01939	1.4
177.05571	0.9
179.03528	3.2
179.05589	1.9
189.05698	0.6
191.03540	0.7
199.04037	2.0
201.01985	1.3
211.13431	4.8
213.05690	0.6
217.04849	1.0
219.02946	0.5
221.04695	0.6
241.05052	1.0
243.02881	0.6
245.00914	0.7
247.02463	1.1
257.04517	0.7
273.00424	0.7
284.03342	5.4
285.04071	100.0
286.04376	6.5
300.99997	1.6
315.05219	2.0
323.07654	2.1
324.58511	0.5
327.05536	0.5
382.75168	0.5
389.70071	0.4
397.13602	2.9
415.14749	1.7
447.09326	0.9
447.22229	2.1
457.17242	0.5
488.04761	0.5
509.03818	0.4
609.12500	67.5
609.26825	7.6
610.12811	9.1
610.27917	1.1
630.46283	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	609.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48837	0.6
51.40006	0.6
63.02376	1.0
65.00310	1.9
70.64817	1.9
83.01369	1.0
98.22318	0.9
107.01433	3.2
108.02170	1.7
109.02933	1.6
121.02972	1.8
125.02422	1.1
148.01657	1.8
149.02467	0.6
151.00391	13.1
163.00383	3.1
164.01173	0.7
165.01967	0.7
169.01440	1.5
178.99883	6.1
187.03947	0.7
190.99704	0.6
199.04002	0.7
211.04129	1.0
216.04231	0.7
226.02736	1.4
227.03438	4.6
228.03996	0.6
243.02989	10.0
244.03444	1.8
245.04544	1.8
254.02145	2.2
255.03003	29.3
255.05704	1.4
256.03372	1.8
259.22247	0.6
267.09619	0.7
271.02502	61.9
272.02988	4.6
272.82184	0.6
273.03989	1.3
283.02435	0.9
299.01868	1.1
300.02777	99.7
301.03497	46.9
302.03854	2.9
343.04752	1.1
358.10797	0.6
426.54163	0.7
447.09381	3.6
609.14630	100.0
610.14929	13.7
612.91302	0.7
627.41077	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	609.1468
Annotation	Isorhamnetin 3-xylosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
59.01385	3.3
60.47815	0.5
61.98842	4.0
65.08181	0.5
69.04211	6.0
71.01389	3.6
82.55219	0.5
82.95421	1.3
84.95120	0.8
85.02952	0.8
88.98819	0.6
89.02457	3.4
89.12766	0.6
95.01392	1.1
99.79282	0.7
101.02455	1.4
107.01403	0.8
109.02955	1.1
113.02454	1.9
116.92860	1.2
119.03522	1.4
123.00911	1.2
125.02453	7.3
133.02899	0.5
135.04549	0.6
137.02458	0.8
138.35664	0.6
146.26334	0.7
151.00377	2.2
151.03860	0.9
161.02461	0.9
163.00444	1.1
167.03430	0.6
169.01454	4.4
175.03989	0.8
177.01987	0.7
183.91039	0.5
199.03999	1.5
201.01920	0.5
215.03520	0.7
226.02725	0.9
227.03470	1.7
242.02182	1.7
243.03030	5.1
254.02174	2.0
255.03017	4.3
270.01706	1.9
271.00116	0.7
271.02496	46.9
272.02927	3.7
299.02005	66.7
300.02722	40.2
301.00006	1.2
301.03043	2.9
313.03360	0.8
315.05127	59.1
316.05429	4.5
353.06635	0.7
357.06293	0.6
401.15955	2.7
431.06226	1.2
447.09286	13.3
448.09976	1.6
461.06952	0.8
462.08041	14.5
463.08508	0.9
477.10425	100.0
478.10718	12.2
492.24841	0.6
609.14447	2.6
610.15460	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	609.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	6.1
68.99825	15.8
70.89823	3.3
95.01385	2.7
105.08407	1.7
109.02962	3.3
121.02970	2.5
123.00894	11.8
125.02467	7.3
134.06175	3.7
135.04536	5.7
137.02486	3.6
138.03250	24.7
145.02959	4.5
148.05304	8.3
149.02428	3.7
153.02034	8.0
153.05591	32.8
162.03181	2.5
165.01971	6.6
165.05589	4.7
168.04285	22.3
169.01305	1.9
175.00436	9.6
175.03990	4.0
176.01180	12.2
176.03539	3.4
177.01953	9.4
177.05453	2.8
177.06786	3.9
178.02733	5.9
178.05135	6.6
178.39983	1.5
180.04350	2.4
189.76122	1.5
191.03502	14.0
192.04306	19.3
193.01440	20.1
193.05066	9.2
194.01869	2.5
195.06689	2.0
207.06616	20.6
208.03793	33.3
209.04344	2.9
211.96001	1.5
218.05812	8.7
222.05400	2.7
223.06128	100.0
224.06499	4.6
237.05644	1.7
238.04657	2.0
260.10394	1.7
266.05823	5.3
278.05869	6.7
281.08459	1.8
282.05258	2.3
295.06686	1.9
296.09372	4.6
297.07468	2.3
297.12543	6.4
298.10831	1.6
306.05273	8.2
307.06149	8.2
309.07758	2.2
310.04758	4.2
312.12421	16.9
320.06726	2.5
321.07663	24.6
322.04791	3.0
322.08417	4.6
325.07159	18.0
336.10110	6.7
337.07150	18.3
337.10751	2.1
339.08838	4.1
340.09528	15.7
352.09500	4.8
353.10028	2.0
354.11160	9.3
355.11856	33.9
367.11871	47.0
368.12192	5.2
372.56680	1.7
384.11948	2.2
396.61453	1.7
417.18146	9.9
433.27347	2.0
446.16150	1.9
484.35318	1.9
549.17334	2.5
609.19775	38.6
610.20135	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	609.2017
Annotation	2,4-Divinylprotochlorophyllide
Peak:m/z	Relative Intensity
50.49259	1.1
58.99581	1.3
59.01375	6.0
60.99314	1.2
61.98831	4.8
62.60062	0.9
71.01378	3.4
74.58234	1.0
82.99641	1.9
88.98817	3.7
89.02463	2.2
89.79145	1.3
96.96007	5.4
98.95626	3.8
99.92596	17.0
100.93404	2.2
108.02203	1.1
115.92092	26.6
116.92102	1.8
116.92876	12.0
122.03889	1.0
125.02478	3.4
137.04324	1.5
145.02975	2.0
151.03943	1.0
159.04526	1.1
159.96407	1.1
169.01389	2.1
170.94043	1.1
189.12982	1.1
191.05354	4.5
203.05405	1.1
242.96042	10.7
253.05106	1.3
260.97067	6.4
268.07483	3.3
283.09845	2.8
285.13266	2.0
285.16827	1.9
297.13071	1.1
301.03577	1.7
301.16077	4.9
311.14706	2.0
313.16339	7.6
322.10730	3.4
329.15945	4.2
331.17386	3.8
341.15790	2.2
345.15253	10.5
347.18597	4.4
357.15347	2.8
373.14816	3.1
375.16354	45.7
376.16772	4.3
403.15930	3.0
419.15356	2.0
431.11603	11.5
446.10712	1.4
446.16174	5.2
447.14883	100.0
448.15149	10.7
463.09909	1.4
489.15900	4.4
591.15729	2.8
609.20361	42.2
610.21600	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	609.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50519	0.5
70.82149	0.6
97.06138	0.5
100.10641	0.9
108.02182	1.9
109.02972	4.1
110.21648	0.6
121.03011	0.9
146.03763	1.6
147.04602	1.3
151.00389	3.1
153.01898	1.0
159.04532	12.5
174.90973	0.6
178.99893	0.7
201.17871	0.6
202.05115	3.4
211.04190	0.7
214.05110	4.3
216.06734	0.7
222.06897	0.7
227.03430	0.6
239.07159	1.5
240.04237	1.0
241.05087	4.1
243.02997	2.4
249.05556	1.0
250.06468	1.3
251.07141	4.3
253.05095	3.2
255.02995	5.1
265.05154	1.3
266.05713	2.0
267.06641	37.6
267.18967	0.7
268.07407	46.3
269.04919	0.8
269.07928	4.8
271.02533	10.3
272.02951	1.3
281.08194	2.6
283.09781	100.0
284.10101	9.7
300.02777	17.8
301.03516	8.0
322.07236	2.9
322.10883	9.6
323.11243	1.1
429.12341	1.0
430.12921	3.1
431.13641	1.0
444.14413	2.3
446.16122	38.0
447.16364	4.9
463.08936	11.1
464.08838	1.4
609.12891	7.2
609.22394	92.4
610.13159	1.3
610.22748	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	609.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02035	1.1
57.56103	1.0
59.01382	1.3
61.98827	2.9
66.34827	1.2
68.99825	1.4
87.86723	0.9
88.65828	0.8
89.27601	1.0
93.03461	4.8
109.02966	2.8
121.02973	37.8
123.00887	1.9
125.02483	2.7
136.04073	1.4
138.03229	3.5
145.02965	1.8
147.04567	2.7
148.04048	3.1
149.02473	1.0
149.05984	1.3
150.03142	1.1
153.01973	1.2
153.05605	3.8
159.04588	1.9
168.04332	3.2
169.01448	1.3
173.02458	1.7
175.00339	2.0
176.01071	1.6
177.01906	1.4
191.03574	2.0
192.04257	2.6
193.01424	2.7
193.05087	2.2
207.06641	3.0
208.03757	4.9
218.05869	1.7
223.06090	13.3
229.53999	1.0
240.07668	1.2
249.05281	1.5
250.06401	1.7
251.07170	2.6
252.08095	1.2
253.05125	1.4
256.09842	8.6
263.07089	0.9
264.33502	1.0
265.08728	1.4
266.05777	2.1
267.06671	6.9
268.07443	31.5
269.07977	5.1
277.05057	1.2
278.05777	1.5
279.06580	1.5
281.08197	3.4
282.08994	7.3
283.09796	72.3
284.10098	6.6
294.05426	5.4
295.05838	1.7
307.06219	1.2
308.06744	1.2
309.07614	2.6
321.07562	3.2
324.08844	1.9
325.07129	2.0
336.10358	1.2
337.07147	2.9
340.09430	1.3
352.11880	3.0
354.10788	1.1
355.11911	4.4
367.12021	6.6
431.13727	12.1
446.16141	100.0
447.16412	16.7
472.14026	10.0
609.22211	22.7
610.23102	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	609.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86156	0.7
52.55916	0.8
61.98824	3.2
63.08992	0.8
78.27072	0.8
93.03473	2.1
94.38880	0.8
103.05585	1.0
109.02937	1.9
116.92883	4.4
119.05013	2.2
121.02962	6.7
134.03737	0.9
135.04532	1.7
136.07773	1.2
145.02913	1.6
146.03723	1.1
147.04529	3.8
148.04115	1.8
148.05289	1.4
149.04884	0.8
150.16789	0.8
159.04549	2.3
160.04039	1.1
161.02541	1.5
169.01379	1.4
172.05301	1.2
173.02391	1.8
175.03989	2.6
190.05043	1.6
202.05127	1.8
211.07643	1.8
217.55878	1.2
238.31535	0.8
239.07236	2.2
240.08046	1.3
242.44179	1.0
249.05560	1.3
250.06630	1.1
251.07161	3.7
265.04892	1.1
267.06577	8.6
268.07410	47.9
269.08115	8.1
271.06226	1.1
277.05090	2.1
281.08224	3.6
282.08981	13.8
283.09775	73.4
284.10062	5.2
294.05356	3.9
295.06131	1.4
296.09515	1.3
307.06122	1.3
308.06793	2.0
309.07669	3.3
310.07385	1.6
311.07990	1.4
312.12451	3.7
324.08786	4.4
337.05740	1.3
338.06662	2.2
338.10416	2.0
350.06750	1.3
430.12891	2.2
431.13760	29.0
432.13983	3.0
446.16129	89.2
447.16360	9.9
457.11517	1.1
472.14117	5.1
526.81055	1.2
555.06720	1.0
609.22455	100.0
610.22723	17.8
610.31799	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	609.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.7
65.10133	0.8
70.56204	2.3
72.63960	0.8
91.05498	1.0
93.21253	0.9
96.42549	0.8
107.05051	1.9
108.02161	1.2
117.03481	3.1
119.05042	8.5
123.04520	0.9
132.04578	1.1
133.02971	3.5
133.05379	1.9
134.03769	2.6
134.06120	12.9
135.04538	18.9
139.71992	0.8
145.02966	3.7
146.06110	0.9
147.04527	2.9
148.01680	1.3
148.05319	42.6
149.05733	1.8
160.04039	2.4
163.04025	1.1
175.04048	0.9
176.03587	8.4
177.04329	1.2
177.06708	10.9
178.05101	29.8
179.05495	1.0
190.05113	10.0
191.08246	0.9
253.08688	2.3
254.11925	2.3
255.12062	0.9
296.09311	19.7
297.09875	8.6
297.12509	17.6
298.13062	1.5
312.12448	100.0
313.12848	7.4
417.18213	32.2
417.23956	1.4
418.18115	3.9
582.89728	1.0
609.22296	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	609.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.6
69.69673	1.3
69.70074	0.6
75.99006	0.3
91.05554	0.6
98.21835	0.4
107.05060	1.7
117.03509	0.6
119.05045	3.6
123.04567	0.4
124.01624	0.3
125.02351	0.5
133.02972	4.4
133.05339	1.5
134.03802	2.4
134.06139	9.1
135.04547	20.2
136.03975	0.8
136.04904	0.8
136.07681	0.9
137.02429	0.7
145.02997	1.3
146.06142	0.8
147.04547	2.8
147.06888	0.6
148.05324	39.1
149.05980	1.5
150.03221	0.9
153.05516	0.6
160.04050	2.2
161.02490	1.4
162.05602	0.5
172.04025	0.4
175.02736	0.6
176.03545	7.9
176.05884	0.4
177.04382	2.0
177.06715	5.8
178.05116	24.0
179.05487	0.8
189.04370	0.4
189.06683	0.9
190.05115	10.5
190.06839	0.6
191.05554	0.4
192.06645	0.4
202.05112	0.4
202.32755	0.3
208.85405	0.3
253.08688	1.6
254.09447	0.5
254.11862	3.1
270.11288	0.4
294.08014	0.3
294.11307	0.4
296.09314	20.2
297.09998	9.2
297.12582	7.6
298.10257	0.8
298.13181	0.4
301.89362	0.3
309.12341	0.8
312.12460	100.0
313.12817	6.6
323.10635	0.6
324.00320	0.3
343.61105	0.4
417.18256	14.0
418.18365	1.4
446.16058	0.5
604.92371	0.4
609.22028	2.8
610.22949	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	609.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.8
62.97369	0.8
71.58929	0.9
81.03466	1.1
91.01877	0.7
94.06105	0.8
98.21817	2.6
108.02187	9.8
109.02964	36.0
110.03252	0.8
119.05019	0.8
123.04523	1.4
125.02428	1.2
125.20510	0.7
130.04263	0.9
138.67628	0.8
146.03789	3.7
147.04535	3.2
153.01959	0.9
158.03777	3.4
159.04533	7.0
169.01425	1.1
173.06111	3.7
186.05626	1.0
188.03517	2.0
190.05107	0.9
202.05098	6.3
214.05107	32.3
215.05647	2.7
216.06654	2.0
229.03262	1.3
239.07063	1.0
240.04301	1.8
241.05046	1.0
253.05119	2.0
256.09860	1.4
265.05032	2.4
266.05823	3.2
267.06665	14.0
268.07349	8.5
269.08090	2.5
281.08331	2.0
283.09793	9.2
310.07504	1.5
310.10864	1.5
312.08847	1.1
321.10098	2.7
322.07248	8.1
322.10934	16.2
323.11163	2.0
336.12436	16.3
337.12860	1.6
348.08707	2.0
377.11566	2.6
428.68939	1.0
429.12250	1.4
430.13000	13.7
431.13492	3.7
444.14478	4.4
445.14688	1.2
446.16122	42.6
447.16385	6.0
499.18777	11.3
500.19183	0.8
567.44446	1.2
609.22473	100.0
610.22778	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	609.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26122	12.7
76.88380	1.9
94.96600	1.6
95.05034	35.8
98.21745	1.7
126.99465	1.4
195.13922	11.6
211.13342	1.6
223.13354	7.9
246.12354	14.6
256.13168	2.3
275.20233	4.7
278.11371	80.4
279.11667	3.6
293.21249	100.0
294.21545	8.5
315.19373	28.4
316.19797	2.0
338.25000	1.4
476.32825	1.7
609.41779	13.4
610.41998	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	610.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00279	0.8
59.01366	1.4
61.59824	0.8
61.98832	11.0
67.01898	0.9
68.99547	1.8
69.00069	5.2
69.00492	2.9
69.96516	0.7
71.01379	2.2
79.15755	0.7
85.02958	0.9
85.43349	0.7
95.01368	1.5
100.99971	0.8
101.02451	1.1
107.01403	4.7
111.00880	2.2
112.98602	2.2
113.02446	1.6
118.07320	0.8
123.00898	7.8
124.01727	0.9
125.02463	23.0
128.03542	1.2
139.00386	4.1
140.01137	2.5
141.01952	1.2
143.04593	1.4
149.06105	1.7
150.06894	1.4
151.00381	7.1
168.00673	3.8
169.01445	38.8
170.01796	1.3
209.11876	1.5
218.13173	0.8
232.14699	1.6
233.15494	7.5
247.13597	1.2
255.33235	0.8
278.89264	0.7
283.09894	0.9
284.10019	1.1
289.17932	1.0
297.06241	1.3
306.07663	2.1
313.05725	9.4
349.02045	0.8
447.16708	1.0
547.21912	100.0
548.22235	14.7
551.25385	1.5
610.23108	0.9
611.27118	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	611.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56256	100.0
69.56684	28.7
71.51798	18.1
78.95918	67.2
96.96021	61.7
96.96957	22.6
152.99487	22.2
173.37839	18.1
218.71075	20.4
229.83334	18.4
279.60397	21.2
391.46484	19.4
433.70160	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01383	3.9
61.98835	0.8
63.02397	0.8
65.00314	1.1
67.01874	0.7
69.03452	0.7
69.41512	3.0
72.99318	0.6
74.16650	0.5
79.01899	0.5
81.03456	0.5
83.01398	2.3
85.02957	8.0
92.26583	0.5
93.03458	1.7
95.01359	1.1
97.02934	1.0
100.63908	0.5
105.03472	1.4
107.01405	5.1
109.02947	0.9
111.00901	3.5
113.02463	13.0
121.02946	1.6
123.00887	5.2
123.04527	0.4
124.01699	0.7
125.02457	22.1
126.02811	0.6
127.00385	0.8
131.05078	0.4
135.00912	1.3
136.98822	1.5
137.02438	2.6
139.00378	4.2
140.01181	4.3
143.05032	1.1
145.02971	0.7
149.02448	4.6
151.00389	6.8
153.01942	0.8
157.06557	0.6
159.04558	2.3
161.02524	0.6
162.03236	0.5
163.00388	1.6
163.03996	0.7
164.01163	0.9
165.01949	1.5
165.05615	0.7
166.99886	1.3
167.03510	1.0
168.00662	5.8
169.01440	25.0
169.06493	0.7
171.04460	0.9
175.04019	1.5
177.01950	0.5
178.99910	1.6
179.03503	1.6
183.04572	0.7
184.05298	0.4
185.06081	2.7
187.04047	2.7
188.04425	0.6
189.01942	1.0
189.05580	0.9
193.01433	9.8
193.05077	1.6
195.04623	0.8
199.04050	1.2
203.03522	1.3
206.02240	2.0
207.03000	2.0
211.04034	1.3
213.05534	1.8
219.03093	0.6
221.04655	1.1
227.03520	11.9
228.03970	0.7
229.05067	9.5
230.05379	0.6
239.03506	1.2
240.04195	0.5
241.05049	1.0
255.03001	19.7
255.05717	1.0
256.03635	3.0
257.04578	5.8
265.03543	1.8
267.02808	0.7
267.05215	3.9
284.03299	25.1
285.04062	58.2
286.04416	4.0
325.05652	8.2
399.07306	0.6
459.09409	1.6
548.06464	0.5
611.10443	100.0
612.10809	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	611.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23520	1.7
59.01376	5.1
61.49467	1.6
65.74841	1.8
69.48069	1.7
70.02984	7.7
72.04565	3.7
74.02480	100.0
74.17331	1.9
87.22941	1.7
96.95999	2.9
98.02490	20.7
98.21809	3.7
116.03545	50.2
116.04326	3.4
125.02464	5.0
128.03560	5.4
129.51672	1.8
132.04570	27.8
144.04576	5.9
146.89613	1.9
169.01433	2.7
201.06714	10.6
219.07785	6.6
243.07736	2.3
260.09592	1.8
261.08820	99.4
262.09210	6.1
299.66086	2.1
421.94296	2.0
453.27863	2.1
532.33173	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	611.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44223	1.7
59.01375	2.0
60.99311	18.8
61.98825	4.3
69.43949	3.6
69.44346	9.2
71.01361	1.8
87.11023	1.9
88.98817	100.0
89.02456	9.9
107.01373	2.8
107.04717	1.7
109.02924	2.7
117.43703	1.7
123.00912	2.9
123.04511	3.5
125.02459	21.8
130.57164	1.8
135.04503	5.9
137.02484	8.9
145.03050	1.9
151.00432	3.5
153.01871	3.3
161.02443	3.5
165.01852	2.0
167.03525	2.2
169.01437	24.1
195.06657	2.2
216.03056	3.1
233.04512	1.9
240.04430	1.9
268.31400	2.1
271.02179	1.8
273.30460	2.0
297.06085	2.1
298.10812	5.1
313.05811	2.5
421.08170	2.1
430.12784	2.8
450.15536	4.3
473.17032	4.2
603.68634	2.1
611.21155	3.4
612.17120	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	611.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	2.2
59.01391	3.6
61.98839	2.5
62.42885	1.8
68.99830	16.0
69.30116	6.1
69.30545	7.6
71.01358	2.1
83.01404	8.2
89.87115	1.7
95.01398	3.3
107.01385	2.8
108.91588	2.1
109.02975	6.2
113.02470	1.8
123.00917	8.9
124.01682	2.1
125.02448	41.9
137.02478	6.0
138.03262	19.7
139.04057	4.2
139.29721	2.2
149.02431	5.4
151.00368	8.2
153.01964	69.1
153.05577	35.4
154.02322	2.9
163.00380	2.0
165.01964	9.1
168.04300	41.1
169.01422	4.3
169.04669	2.0
175.00391	9.3
176.01155	16.9
177.01933	14.2
177.05562	2.0
178.02716	6.3
178.99913	2.3
191.03487	20.1
192.04298	24.5
193.01422	23.6
193.05058	10.3
197.04482	2.3
207.06648	37.6
208.03780	37.2
209.04298	5.2
223.06116	100.0
224.06488	7.2
238.04836	2.9
240.08014	2.2
268.07373	5.5
311.09424	2.1
312.06262	2.5
323.09158	4.4
327.08752	9.0
338.11301	2.4
339.08862	10.2
340.09253	2.8
342.11130	13.6
354.11295	4.2
355.11697	2.7
357.13531	22.0
369.13406	16.6
370.13892	2.8
459.18765	7.6
502.14105	2.3
611.21472	51.3
612.21686	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	611.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36409	0.9
57.03443	3.8
59.01358	1.0
61.98840	1.4
65.00327	2.7
67.01868	1.0
68.99821	7.5
70.33360	0.9
81.03455	2.8
83.01395	14.1
87.04530	1.8
87.56784	0.9
89.02459	1.4
92.92797	2.5
93.03474	1.7
95.01408	1.7
101.02458	1.0
103.97276	1.1
107.01408	3.8
109.02955	5.4
111.00886	1.1
121.02946	1.3
123.00892	6.3
124.01677	1.0
125.02462	57.5
126.02786	1.9
137.02469	4.7
138.03233	11.1
139.04024	1.7
145.02994	1.1
146.91905	1.0
149.02444	4.6
151.00388	18.0
151.03966	1.3
152.00662	0.9
153.01953	100.0
153.05556	12.3
154.02261	2.3
165.01921	4.6
168.04298	18.2
169.01462	3.0
175.00377	3.5
176.01146	5.7
177.01913	7.0
177.05591	1.2
178.02721	3.0
178.99907	5.5
191.03497	6.4
192.04297	9.8
193.01453	13.5
193.05032	4.5
195.02934	1.6
195.06660	1.1
201.94044	1.0
207.06630	13.5
208.03770	16.6
209.04424	2.2
220.07494	1.0
223.06139	40.6
224.06567	1.9
261.38797	0.9
268.07315	1.4
269.17542	2.4
271.02505	3.4
283.09747	2.1
300.02774	1.0
308.06714	1.5
309.07523	1.7
310.97104	0.9
311.09546	1.1
323.09189	1.9
324.06372	1.2
327.08777	3.1
329.06592	2.0
338.11545	1.0
339.08710	5.9
342.10825	4.4
354.11063	1.1
357.13519	10.2
369.13419	7.6
459.18622	5.4
539.24609	2.2
593.22156	1.8
611.21777	23.3
612.21942	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	611.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18007	1.9
61.98832	1.9
69.67601	1.9
70.03329	3.9
70.03712	3.3
77.13392	2.2
78.95907	61.0
80.52361	2.1
89.10858	2.0
90.97916	2.0
96.96952	8.4
152.99597	65.4
195.13898	17.9
223.00148	5.1
241.01221	19.9
277.21649	10.0
295.22784	57.0
296.22949	3.4
315.04807	9.7
518.34814	2.8
611.28326	100.0
612.28607	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	611.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99076	0.2
59.01369	0.2
61.98840	0.3
63.00537	0.2
70.02903	0.4
70.03297	0.5
71.52598	0.2
76.65005	0.2
93.03432	0.2
93.46153	0.2
96.11108	0.2
105.03462	0.4
107.05033	0.5
117.03494	1.2
128.61328	0.2
132.02168	0.6
133.02966	15.7
134.03778	4.0
135.04539	23.3
136.04855	0.6
137.02435	1.9
139.04019	0.8
150.03291	0.3
161.02457	100.0
162.02791	3.7
169.14537	0.2
178.02747	0.4
179.03519	9.6
179.05130	0.5
179.25682	0.2
180.03922	0.4
222.84174	0.2
241.36989	0.2
242.37529	0.2
269.21304	0.5
287.22299	8.7
288.22705	0.4
431.24469	6.0
432.24872	0.5
443.50446	0.3
449.25464	78.6
450.25803	7.6
491.26495	2.0
492.26663	0.4
561.20740	0.2
611.30756	12.0
612.31219	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	611.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10282	0.6
60.99310	9.8
69.50224	4.0
74.46215	0.7
82.05553	0.8
84.34910	0.7
88.98818	100.0
101.10336	0.8
106.09663	0.6
117.01912	0.8
125.02452	0.8
133.28946	0.8
151.14777	0.7
154.20197	0.7
169.01558	0.9
200.70709	0.7
263.10001	17.9
280.17395	0.8
301.00085	1.0
312.71680	0.7
469.84061	0.7
532.87866	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	611.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61515	1.3
54.24936	1.3
57.03448	16.0
61.98828	2.1
64.44822	1.6
65.03967	2.1
67.01889	1.8
69.03462	16.9
71.01397	3.8
78.95937	1.5
81.03464	49.5
82.03801	1.9
82.95425	3.3
83.01389	3.4
93.03451	1.6
95.05062	2.2
107.01395	3.1
107.05045	7.1
121.02939	1.7
121.06621	2.8
124.01645	1.8
125.02459	100.0
126.02814	2.6
151.00368	2.0
151.03999	9.0
169.01447	12.4
203.07135	4.1
221.19054	2.0
223.28511	1.8
248.29883	1.6
268.69690	1.7
285.04105	8.7
286.04465	1.9
299.22415	8.8
325.23846	20.6
327.21817	4.5
351.25433	5.5
353.23343	6.4
361.23550	2.4
374.95218	1.5
379.24857	4.3
405.26611	3.4
431.28064	3.0
441.28610	5.6
449.29547	3.1
467.30072	5.2
468.30634	2.2
485.31302	16.2
486.31363	3.0
551.08618	2.7
575.32422	2.1
593.33362	4.3
611.24817	2.0
611.34381	27.3
612.34521	3.5
617.58856	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	611.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	14.6
61.98855	1.5
62.84440	1.2
65.03963	1.8
69.01549	10.5
69.01956	2.6
69.03476	3.6
71.01373	2.5
81.03465	41.6
82.95415	2.6
83.01366	2.1
83.05028	2.0
95.05045	3.2
97.02965	1.7
98.21774	2.0
103.25649	1.2
107.01414	1.6
107.05019	5.0
108.36792	1.2
119.05006	1.4
121.06598	2.2
123.00931	1.4
125.02460	100.0
126.02841	3.1
151.00343	2.0
151.04036	9.3
169.01457	11.6
177.09161	2.1
181.19275	1.2
203.07179	3.8
255.02924	1.7
283.19122	2.0
285.04086	9.4
299.22369	5.7
306.07761	1.6
325.23849	19.9
326.24170	2.1
327.21832	3.2
335.22464	1.5
351.25388	4.3
352.25644	1.6
353.23294	4.7
354.23450	1.9
361.23703	2.2
379.25031	2.3
405.26678	1.8
431.28119	4.4
441.28610	4.4
448.16556	1.7
467.30139	5.3
485.31265	17.2
486.31168	1.6
549.34808	1.9
567.35223	3.0
575.32257	3.5
593.33398	2.9
611.10675	2.3
611.24854	2.2
611.34534	24.9
612.34344	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	612.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98205	3.6
55.80013	3.0
56.78487	3.2
59.01385	4.2
61.98826	14.9
69.11965	19.9
69.12394	12.9
71.01385	3.8
71.06593	3.2
76.76302	3.3
108.02198	3.6
109.03004	5.5
117.03531	7.0
121.03029	3.7
121.92820	3.9
125.02464	13.0
132.04567	5.3
133.02982	6.5
135.04538	5.4
137.02480	3.9
145.02982	13.2
147.04546	8.4
151.00420	5.5
161.02440	16.6
163.00360	5.3
163.04062	8.6
169.01401	17.2
173.02443	14.5
175.04086	4.5
177.01955	8.3
178.99911	4.3
189.01965	30.5
190.02692	13.6
191.03539	32.9
201.01936	14.2
203.03571	4.6
205.01451	3.9
216.00603	3.7
217.01433	37.7
218.02068	9.8
219.03023	11.2
229.01428	13.1
231.02859	3.9
235.02533	8.5
242.99303	6.7
243.02994	4.7
245.00937	40.6
246.01765	5.8
247.02534	30.6
255.03062	4.0
261.00369	5.1
263.01981	4.9
270.98853	9.9
271.02524	8.5
272.03052	4.9
273.00439	100.0
273.03232	7.1
274.00882	5.5
284.03162	4.5
291.01172	4.9
298.98331	18.4
300.02841	8.1
301.00061	7.8
301.03415	18.9
302.03879	9.7
419.06445	3.8
431.25217	3.9
447.09238	6.7
448.09558	16.6
466.08490	5.4
494.55994	3.8
512.11969	15.9
538.10132	6.5
540.11450	15.7
550.09747	6.5
566.09552	10.4
568.10852	68.6
569.11163	11.0
576.07666	4.4
594.08984	13.7
612.12939	4.5
613.12030	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	612.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25532	0.5
59.01385	0.6
67.01904	0.5
67.48026	0.4
67.92244	0.4
71.01387	3.1
74.74545	0.4
74.74980	0.6
75.98657	0.4
83.34377	0.4
85.02955	0.8
91.05539	1.1
92.52107	0.4
95.01427	0.6
97.03001	0.5
101.02448	0.8
103.41808	0.5
107.01398	9.5
107.05061	2.5
109.02985	0.8
111.00905	0.6
113.02464	1.3
123.00904	3.6
124.01674	0.6
125.02462	26.6
126.02821	0.8
133.03006	1.6
134.03763	1.1
134.06134	0.6
135.04539	59.9
136.03995	0.8
136.04886	1.6
136.07706	3.8
139.00395	1.5
139.03957	0.4
140.01201	0.9
147.04514	0.7
148.04134	0.9
148.05313	6.8
151.00398	3.2
151.04048	0.5
160.04036	0.5
161.02467	6.3
162.02896	0.6
168.00658	1.4
169.01447	38.6
170.01730	1.0
176.03680	0.5
178.05124	9.6
179.03552	1.3
190.05063	2.2
194.99339	3.5
211.02557	0.9
226.86397	0.5
228.78764	0.6
241.03476	0.6
256.09857	1.0
297.06079	0.8
298.10873	100.0
299.11221	8.9
313.05679	43.0
314.05930	2.5
314.10349	1.5
327.03674	1.6
329.06879	1.0
339.03531	1.5
410.72580	0.5
413.17929	0.5
449.10886	5.9
450.11536	1.2
451.10336	0.5
460.16196	3.6
475.08710	3.5
612.17267	67.6
613.17621	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	612.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.7
61.98841	12.7
62.77327	2.5
69.17902	16.9
71.01372	3.4
93.03455	3.7
94.27729	2.6
95.01401	3.9
107.01410	9.6
108.06602	2.8
118.09126	2.2
123.00906	12.5
124.01588	2.9
125.02464	49.8
133.02960	2.6
135.04539	66.2
136.07666	8.0
142.34641	2.9
147.04539	2.8
148.05350	2.9
151.00404	11.9
161.02452	10.6
169.01431	59.0
170.01936	2.8
178.05142	7.6
181.08768	3.7
184.16454	2.4
190.05110	3.6
199.00507	2.6
246.83295	2.6
247.02434	2.8
271.02621	2.8
273.00406	3.6
298.10873	97.9
298.98492	3.9
299.11121	8.2
299.99030	3.4
300.99835	7.0
313.05664	30.0
450.14041	30.9
460.16193	25.1
476.12103	6.9
595.04059	3.5
612.07184	5.0
612.17181	100.0
613.04663	4.3
613.17548	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	612.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36229	0.7
59.01381	3.2
61.98840	5.6
67.01904	0.9
69.03471	0.9
71.01389	4.2
71.26667	1.0
71.27036	1.1
72.10719	0.7
73.02946	0.9
79.01879	1.3
81.03463	1.2
83.01387	0.9
85.02933	0.8
93.03470	2.3
95.01398	2.4
96.96003	1.0
97.02964	1.4
101.02444	2.0
106.04221	1.1
107.01402	10.6
107.05048	3.4
109.02958	4.3
111.00890	2.4
113.02430	1.5
119.05034	1.2
123.00905	14.2
123.04620	0.9
124.01747	1.3
125.02461	56.8
126.02802	1.5
127.00301	0.8
131.37172	0.7
133.02959	3.8
134.03734	1.8
135.04538	68.7
136.04912	1.7
136.07698	7.4
137.02505	4.5
139.00377	3.2
140.01167	3.3
141.01938	1.3
145.02927	1.5
147.00862	0.9
147.04523	0.7
148.05313	5.2
151.00385	12.6
151.04059	0.7
159.04556	1.3
161.02480	7.9
161.62689	0.7
165.01944	1.2
166.99837	2.8
167.03511	1.3
168.00662	2.9
169.01442	76.8
170.01796	2.2
171.04521	1.4
177.01895	1.4
178.05104	8.6
179.00055	0.9
183.04547	2.0
187.04007	0.9
189.01978	1.0
190.05124	2.3
192.03143	0.8
199.04024	4.1
201.01955	1.5
211.02567	1.5
215.03464	2.1
217.01355	1.3
227.03456	3.4
231.02904	1.1
241.03458	1.5
243.02953	6.5
243.11385	0.7
253.03377	1.2
254.02191	0.7
255.03046	4.3
256.09833	1.0
269.00925	1.1
271.02441	8.9
298.10867	100.0
299.02014	38.4
299.05502	1.7
299.11154	7.9
299.99088	2.9
300.99908	3.1
313.05688	54.7
314.05923	2.2
341.06631	1.6
355.81906	0.7
432.14447	0.7
450.14108	22.7
451.09747	1.2
451.15210	0.8
460.16132	13.9
461.16516	1.7
476.11972	5.4
584.07507	1.5
612.17230	95.5
613.08374	8.4
613.17670	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	613.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88255	0.3
55.01869	0.5
57.03449	1.7
57.11479	0.3
59.01385	6.7
67.01880	1.0
68.99803	1.0
69.03454	0.8
71.01387	17.2
72.99316	1.5
73.02942	1.2
73.34160	0.3
75.00872	0.6
79.01875	0.5
83.01382	1.0
85.02958	15.2
87.00881	4.5
88.63423	0.3
88.84773	0.3
90.53761	0.3
95.01395	4.7
97.02940	0.4
99.00883	2.8
101.02442	0.5
103.00381	3.2
107.01408	3.4
109.02956	0.5
111.00887	1.9
113.02461	18.6
115.00384	3.6
117.01985	0.3
121.02982	0.4
123.00896	8.3
124.01672	0.9
125.02460	19.1
126.02803	0.5
127.00385	0.7
129.01953	1.0
136.98798	0.6
137.02412	1.0
139.00388	3.3
140.01147	1.4
141.01909	0.9
145.02992	0.3
149.02438	0.4
151.00371	5.9
151.04004	0.6
153.01962	0.8
157.01434	1.7
165.01942	1.9
166.99892	0.4
167.03490	1.2
168.00667	2.4
169.01442	25.0
170.01759	0.8
175.02496	8.7
179.03505	1.4
181.01463	0.6
193.01431	1.1
195.02885	0.6
207.03001	1.7
209.00938	3.1
211.02477	3.0
223.02568	0.5
235.02466	1.0
245.17908	0.3
247.02386	0.5
251.02129	0.5
258.66153	0.4
265.03699	0.7
269.02930	0.7
283.04584	0.6
285.04175	1.8
309.02747	0.5
327.03589	100.0
328.03958	6.4
461.07114	0.3
536.59137	0.4
613.08307	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	613.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88255	0.3
55.01869	0.5
57.03449	1.7
57.11479	0.3
59.01385	6.7
67.01880	1.0
68.99803	1.0
69.03454	0.8
71.01387	17.2
72.99316	1.5
73.02942	1.2
73.34160	0.3
75.00872	0.6
79.01875	0.5
83.01382	1.0
85.02958	15.2
87.00881	4.5
88.63423	0.3
88.84773	0.3
90.53761	0.3
95.01395	4.7
97.02940	0.4
99.00883	2.8
101.02442	0.5
103.00381	3.2
107.01408	3.4
109.02956	0.5
111.00887	1.9
113.02461	18.6
115.00384	3.6
117.01985	0.3
121.02982	0.4
123.00896	8.3
124.01672	0.9
125.02460	19.1
126.02803	0.5
127.00385	0.7
129.01953	1.0
136.98798	0.6
137.02412	1.0
139.00388	3.3
140.01147	1.4
141.01909	0.9
145.02992	0.3
149.02438	0.4
151.00371	5.9
151.04004	0.6
153.01962	0.8
157.01434	1.7
165.01942	1.9
166.99892	0.4
167.03490	1.2
168.00667	2.4
169.01442	25.0
170.01759	0.8
175.02496	8.7
179.03505	1.4
181.01463	0.6
193.01431	1.1
195.02885	0.6
207.03001	1.7
209.00938	3.1
211.02477	3.0
223.02568	0.5
235.02466	1.0
245.17908	0.3
247.02386	0.5
251.02129	0.5
258.66153	0.4
265.03699	0.7
269.02930	0.7
283.04584	0.6
285.04175	1.8
309.02747	0.5
327.03589	100.0
328.03958	6.4
461.07114	0.3
536.59137	0.4
613.08307	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	613.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70822	0.4
54.98339	0.5
59.01377	1.4
65.00335	0.5
66.25750	0.4
67.01884	0.6
69.03452	0.7
71.01394	3.8
71.52380	0.4
83.01420	1.1
85.02963	1.2
88.98813	0.9
95.01385	1.1
97.02982	0.7
98.22608	1.1
101.02459	1.5
107.00726	0.9
107.01403	8.5
109.02984	5.5
111.00880	1.3
113.02452	1.1
116.92848	0.5
123.00905	7.3
124.01693	1.2
125.02463	44.8
126.02806	0.8
127.00353	0.5
136.98804	0.8
137.02448	0.9
139.00417	3.4
139.03993	0.5
140.01154	1.7
141.01952	0.7
151.00380	6.8
153.01955	7.7
163.00455	0.7
166.99814	0.6
167.03537	0.5
168.00638	2.9
169.01445	61.2
170.01784	2.2
179.03410	0.4
195.02968	0.6
199.04031	0.9
211.02446	2.3
211.04196	0.6
215.03685	0.5
226.02788	1.3
227.01256	1.1
227.03517	21.8
228.03870	0.9
239.03474	1.0
241.03560	1.1
243.02986	2.4
253.03621	0.8
254.02155	1.0
255.03015	33.2
256.03656	4.3
271.02490	16.6
272.03104	1.1
283.02493	2.3
284.03293	30.8
285.03998	6.5
297.06268	2.8
299.02020	7.8
299.05664	21.8
300.02792	28.3
300.05795	1.5
301.03052	2.4
311.98727	0.5
313.05704	40.8
314.06052	2.8
315.05145	18.1
316.05539	1.7
389.63495	0.5
477.10358	3.2
598.09375	0.8
613.12042	100.0
614.12360	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	613.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
60.63268	0.9
61.98822	0.9
69.56357	0.8
69.59846	1.0
77.02325	0.8
88.98830	0.9
107.01378	3.5
108.02193	1.3
109.02975	3.2
115.20620	1.0
117.03473	3.5
119.05016	1.2
123.00913	1.2
125.02435	3.1
145.02982	17.0
148.01744	1.6
151.00407	12.1
152.00861	0.9
153.01979	2.2
162.83202	1.0
163.00414	2.5
163.04015	1.8
164.01190	1.3
169.01462	3.1
175.04025	1.0
178.99896	5.7
183.93019	0.8
188.74052	0.9
199.03937	1.2
205.60031	0.9
211.04187	1.2
215.03441	1.2
226.02759	1.7
227.03445	3.8
227.57010	1.0
229.88673	0.9
243.03020	13.5
254.02219	2.5
255.03020	28.7
256.03360	3.0
271.02518	60.4
272.03070	6.3
297.06271	1.4
299.01962	3.8
300.02789	100.0
301.03464	32.6
302.03867	2.1
315.01712	1.4
315.05231	2.7
322.11020	1.0
463.09009	12.2
464.08850	1.1
537.45685	0.9
597.89136	1.0
613.11884	63.7
614.12097	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	613.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42386	0.6
57.03457	1.0
58.83018	0.7
61.98809	1.3
63.02395	2.2
65.00316	4.6
71.28121	0.7
71.28491	0.9
83.01404	4.0
93.03458	1.2
96.96008	11.2
107.01405	8.7
108.02187	1.1
109.02948	3.3
119.01367	0.9
121.02958	10.0
123.04542	0.9
125.02438	4.9
135.00870	1.5
137.02539	0.9
139.03989	2.2
148.01680	0.7
149.02455	1.0
150.99178	1.5
151.00380	28.7
151.04013	0.9
152.00864	1.4
163.00441	3.6
165.01894	3.7
169.01457	6.2
175.04095	1.1
178.99887	12.5
180.00160	0.8
183.02997	1.4
187.04034	0.9
195.02940	1.0
199.04062	1.0
201.05685	0.9
203.03506	0.9
211.04012	1.8
227.03476	2.1
229.05049	2.2
243.02966	3.0
245.04512	2.7
255.03008	8.2
256.03552	0.8
257.04385	0.6
263.06030	0.9
271.02502	9.9
272.02939	0.8
273.04065	3.0
283.02554	3.2
298.98508	1.3
299.02130	2.8
300.02756	13.9
301.03543	100.0
302.03909	6.2
303.87772	0.7
315.05014	1.1
493.11734	0.9
553.13593	1.0
613.12048	20.2
614.12354	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	613.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
59.01381	10.5
64.63657	1.2
65.60401	1.2
69.81466	1.0
70.58496	2.5
71.01389	1.7
72.32715	1.1
89.02494	2.1
95.01400	2.3
101.02461	2.9
107.01424	6.0
111.00865	2.1
113.02428	1.9
123.00907	8.5
124.01668	2.1
125.02464	43.5
139.00424	3.5
140.01138	1.5
142.78899	1.2
150.74249	1.3
151.00375	3.0
157.02884	1.3
166.99916	2.1
168.00639	7.1
169.01434	51.8
170.01720	2.4
211.02536	9.2
241.03648	1.8
247.02518	2.0
271.04630	13.8
273.00500	1.8
294.47104	1.3
309.11871	3.3
313.05588	3.0
317.54337	1.3
331.06506	2.1
399.13065	3.4
401.10822	7.5
461.12939	15.0
483.07996	2.3
545.34161	1.3
553.12244	5.4
613.05341	5.3
613.14093	100.0
614.14081	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	613.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57742	0.6
55.36253	0.5
55.64915	0.5
57.03428	0.7
59.01358	0.8
61.98825	0.8
65.00307	0.6
66.36596	0.6
69.03436	2.1
71.01374	0.6
89.02426	0.5
99.05640	0.6
102.82204	0.5
103.96147	0.5
107.01387	2.1
108.02171	1.6
109.02953	1.1
125.02446	0.9
128.03500	0.9
135.00883	0.8
139.11305	2.0
143.04596	1.2
148.01665	1.5
151.00417	5.0
163.00381	1.1
164.01225	0.8
178.99945	4.0
183.10332	3.7
183.13860	0.7
185.11809	1.2
197.11859	0.6
199.04047	2.5
201.01938	0.7
203.03485	0.8
209.11865	2.8
210.12189	0.6
211.44949	0.6
213.14992	2.1
215.03438	0.9
226.02820	1.6
227.03557	3.2
228.75978	0.6
229.01265	0.6
231.03159	0.5
243.02985	10.9
244.03445	0.6
254.02251	2.2
255.03004	28.0
256.03357	1.2
271.02502	66.5
272.02930	5.9
272.09003	0.5
283.02621	0.8
299.02026	15.4
300.02771	100.0
301.03372	16.6
302.03659	1.0
306.07864	0.6
309.20654	0.7
310.73199	0.5
429.08408	3.6
447.09256	1.9
613.19324	60.9
614.19653	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	613.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04013	0.7
57.03452	8.7
59.01393	1.3
60.99299	0.9
61.98837	1.2
62.84771	0.7
63.02403	1.9
65.00312	0.7
65.03968	1.6
67.01889	1.8
69.03456	7.0
69.43192	3.8
69.43610	1.3
71.01392	11.6
76.57589	0.7
81.03465	87.5
82.03788	2.3
83.01403	2.9
83.05029	2.0
88.98817	4.1
93.03453	0.9
95.01371	0.8
95.05030	4.7
97.02963	6.7
99.04514	2.3
103.97348	0.7
107.01394	1.4
107.05042	6.6
116.43946	0.7
123.04504	1.1
125.02460	100.0
125.06104	2.4
126.02794	3.0
127.04024	1.3
133.06610	1.5
142.59436	0.8
151.04037	7.8
151.07677	3.0
153.05569	1.8
169.01422	1.8
179.07118	0.9
185.11864	0.8
197.08231	2.8
241.10904	1.2
285.04147	2.3
291.23361	2.7
303.05267	1.8
309.24387	3.0
311.22345	3.3
319.22885	0.8
329.12488	2.9
335.25992	1.4
337.23788	1.9
363.25558	1.5
381.48328	0.8
392.49481	0.8
595.34918	4.5
596.34680	1.1
613.35962	13.1
614.36517	1.5
635.46075	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	614.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97031	3.1
67.01899	2.5
72.00901	4.3
79.92634	2.1
79.95736	12.9
80.96521	6.7
95.01390	15.8
95.97635	27.2
96.01753	2.7
98.21645	4.8
118.06656	14.2
123.00911	28.0
124.01240	8.1
124.11608	2.4
125.02446	7.1
129.03482	3.5
139.00420	4.3
145.02951	6.4
146.59344	2.2
147.04552	15.9
148.04849	3.6
157.02960	7.0
158.03279	4.4
161.02444	2.5
164.07181	39.5
165.07590	2.7
166.99858	16.0
168.00214	7.1
169.01379	6.2
172.01460	2.4
173.02391	7.6
174.02776	3.2
199.00029	2.7
200.01056	3.1
201.01926	16.0
202.02350	7.2
226.99858	7.7
228.00197	4.1
229.01318	10.8
230.01842	6.3
231.02930	8.2
232.03259	3.3
244.02864	100.0
245.03210	5.1
247.02484	26.2
248.02910	12.3
264.43326	2.4
273.00449	13.0
274.00830	9.7
275.02103	12.3
276.02444	3.2
298.98422	4.0
299.98874	7.7
300.99924	6.9
302.00293	3.5
446.04449	4.3
447.49182	2.4
614.05139	76.6
614.15247	4.0
615.04614	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	615.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01248	1.1
59.01356	3.4
69.03461	1.6
71.01361	1.3
94.25346	1.3
107.01405	4.0
118.92678	1.1
125.02458	28.6
133.02965	3.3
145.02950	2.8
147.04544	2.7
151.00363	1.2
157.02972	2.0
159.04469	1.5
163.04024	3.1
169.01422	24.2
170.01715	1.3
173.02457	6.4
174.03168	1.6
175.04015	5.8
185.02402	3.1
200.01157	1.4
201.01920	11.0
203.03549	13.1
213.02022	2.8
214.02747	7.7
223.43617	1.3
225.11296	5.0
228.00584	1.9
229.01448	17.7
230.02214	30.4
231.02992	78.3
232.03313	4.5
247.02470	2.7
257.00916	7.1
275.02017	35.4
276.02380	2.7
279.90848	1.4
299.99030	3.0
300.99924	46.2
302.00055	1.8
344.09387	1.2
403.03049	2.8
445.04218	2.5
463.05151	1.5
615.06256	100.0
616.06580	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	615.0634
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
59.34378	1.2
69.81657	4.7
78.56784	1.0
91.73705	1.0
93.77634	1.3
95.01417	1.7
96.74306	1.1
107.01427	3.6
125.01652	2.0
125.02475	20.2
133.02974	2.9
145.02974	3.3
147.04578	2.0
157.03008	2.1
161.02534	1.6
163.04018	3.2
169.01437	21.3
173.02467	4.7
175.04039	5.1
185.02484	3.6
200.01216	1.5
201.01884	8.4
203.03513	10.0
213.01840	2.3
214.02704	5.5
217.01460	1.4
219.02843	1.3
228.00560	1.4
229.01437	16.1
230.02197	21.5
231.03004	58.7
232.03380	3.8
245.00934	2.4
247.02509	2.6
257.00980	6.2
273.00589	1.8
275.01999	32.2
276.02368	2.5
299.99127	5.9
300.99927	83.1
302.00189	6.7
403.03180	2.3
445.04156	2.8
463.05273	9.0
615.06305	100.0
616.06561	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	615.066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.4
70.78545	0.7
79.95745	3.2
96.96020	100.0
107.01421	0.5
117.03444	0.4
122.97537	0.3
125.02459	0.8
145.02980	1.2
150.03221	0.6
151.00409	1.8
151.03963	0.3
165.05617	0.4
169.01501	0.6
178.99925	0.5
195.06793	0.6
255.03012	0.8
259.06189	0.7
269.04752	0.3
271.02460	1.6
271.47260	0.3
287.05685	0.4
299.01978	0.6
300.02768	3.0
301.03442	1.6
317.41721	0.4
356.99536	0.5
368.95172	0.5
369.53809	0.3
397.95819	0.4
398.95245	0.3
399.00311	7.8
400.00940	0.6
404.11594	0.4
517.10193	1.4
531.04486	1.4
615.02466	1.0
615.11218	0.4
634.00903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45158	0.3
61.98841	2.1
63.02386	0.6
65.00332	1.5
65.48717	0.3
69.67646	0.3
71.01369	0.6
71.26765	0.4
80.06514	0.3
83.01394	1.6
89.02428	0.3
93.03426	0.7
94.22792	0.2
95.01403	0.4
107.01402	4.0
108.02174	0.4
108.85415	0.3
109.02955	2.2
115.06440	0.3
121.02956	2.4
123.00893	0.5
123.04555	0.3
124.01678	0.3
125.02470	5.1
134.03719	0.4
137.02440	0.9
139.04024	0.5
149.02486	1.6
150.03214	0.4
151.00388	11.9
152.01024	0.4
153.01921	1.1
159.04561	0.5
161.02486	0.5
163.00357	1.0
164.01210	0.4
165.01939	0.7
167.03621	0.3
167.04933	0.3
168.00626	0.3
169.01456	2.2
171.04555	0.3
173.06062	0.3
175.03973	0.9
177.01938	0.8
178.99879	4.4
183.04547	0.3
185.05978	0.4
187.03987	0.7
189.05609	0.4
193.01262	0.4
193.04865	0.4
193.48824	0.3
195.06587	0.3
199.04005	0.6
201.05608	0.6
211.02432	0.4
211.04137	0.4
213.02008	0.6
217.04996	0.4
217.24773	0.3
227.03503	1.4
229.05060	0.5
245.04556	1.0
255.02983	2.3
256.03638	0.4
257.04562	0.5
271.02451	1.0
271.04874	0.4
273.03915	0.4
275.05716	0.5
284.03262	0.5
285.04068	2.0
300.02859	1.3
301.03564	100.0
302.03928	8.2
303.05057	2.4
303.12433	0.3
313.05695	1.4
314.86667	0.3
316.02271	0.4
325.81818	0.3
331.04544	0.6
373.29102	0.3
404.16699	0.3
463.08481	1.5
510.86002	0.3
579.30334	0.6
607.07568	0.3
615.10028	10.1
615.22321	0.9
616.10022	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	615.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97982	1.0
65.00313	1.8
71.01405	1.2
76.94441	1.1
88.25657	1.0
107.01410	5.4
111.86619	1.1
121.02987	2.5
123.00920	2.0
125.02467	19.3
135.00967	1.5
139.00244	1.0
148.01692	1.6
151.00418	12.5
163.00438	2.2
169.01447	19.5
178.99908	5.7
243.03009	8.0
254.02330	1.8
255.03004	24.7
256.03452	1.6
271.02469	42.6
271.05322	2.6
272.03009	3.7
283.02481	2.2
299.02191	1.5
300.02780	100.0
301.00119	1.6
301.03467	36.4
302.03906	2.7
308.73578	1.6
313.05743	3.3
314.79752	1.2
385.46030	1.2
463.08881	52.4
464.09030	7.1
466.71765	1.2
516.06665	1.3
532.03052	1.4
615.09967	92.9
616.10461	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	615.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49583	0.2
62.31920	0.2
63.02402	2.6
65.00327	5.5
83.01389	3.5
93.03470	1.7
94.60738	0.2
95.01405	0.3
106.98048	0.2
107.01400	9.9
109.02970	1.9
112.66122	0.2
113.02474	0.2
119.01376	0.3
121.02966	8.7
122.03360	0.3
122.71941	0.2
123.00944	0.3
124.52235	0.2
125.02472	0.9
139.04008	0.6
142.36906	0.2
148.00067	0.2
148.01685	0.3
149.02492	1.1
151.00381	40.4
152.00720	1.4
159.04529	0.6
161.02492	0.4
163.00407	1.5
163.03951	0.3
164.01115	0.6
169.01442	1.9
173.06058	0.2
175.04015	0.4
178.99872	16.8
179.65140	0.2
180.00320	0.5
183.04584	0.6
187.04024	0.6
189.05588	0.3
192.00658	0.3
193.01479	0.6
201.05620	0.8
203.03525	0.4
205.05081	0.2
211.04007	1.1
227.03465	0.7
229.05045	1.6
231.02893	0.4
233.04495	0.3
245.04547	1.6
255.03004	2.0
256.03552	0.3
257.04575	0.7
271.02386	1.0
273.04068	2.7
283.02524	0.8
299.02060	0.3
300.02841	1.5
301.03549	100.0
302.03888	8.6
313.05783	1.5
378.21582	0.2
463.08829	1.5
598.06219	0.3
609.40662	0.2
615.09943	4.1
616.09723	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	615.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49835	0.5
59.01363	0.9
63.02382	1.0
65.00299	1.3
66.04786	0.4
67.01895	0.8
67.53128	0.5
71.01365	1.8
74.47108	0.5
76.46969	0.4
83.01385	1.2
85.02934	0.5
95.56963	0.5
98.21621	0.9
101.02431	0.5
107.01398	6.2
108.02184	0.7
109.02956	1.0
121.02978	1.6
123.00903	2.8
125.02464	18.0
135.00890	0.8
137.02516	0.5
139.00366	0.9
140.01103	0.6
148.01685	1.0
151.00394	13.2
163.00388	2.0
164.01123	0.6
168.00595	1.2
169.01442	20.6
178.99873	6.1
190.99911	0.7
203.03494	0.6
211.02318	0.9
211.04088	1.1
215.03439	0.5
216.04225	0.4
223.07434	0.4
226.02684	0.9
227.03537	2.7
229.01515	0.6
229.34679	0.6
229.36765	0.6
236.70523	0.5
243.02989	6.8
245.04402	1.1
254.02193	1.1
255.03003	21.4
256.03381	2.4
271.02472	43.8
272.02972	3.4
273.03873	0.8
283.02533	1.8
299.02072	1.1
300.02771	100.0
301.03476	38.8
302.03903	2.9
313.05673	4.5
323.07068	0.5
463.08871	50.8
464.09229	5.6
615.09961	86.1
616.10242	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	615.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31730	0.8
69.16364	6.7
75.00869	4.1
93.03442	0.8
95.01395	2.1
97.02961	1.1
97.26787	0.7
105.03447	1.2
107.01367	1.5
109.02965	4.5
117.03521	1.1
121.02957	3.4
123.00910	3.7
123.04498	2.0
125.02469	8.8
133.02956	3.8
135.00893	2.6
135.03020	6.7
135.04553	1.3
135.23242	0.7
137.02455	6.4
145.02959	2.0
148.01660	1.0
149.02455	16.9
151.00395	2.7
151.04012	4.6
153.01956	1.1
161.02457	19.0
162.99001	1.6
163.00386	28.2
163.04050	1.0
164.01064	3.2
165.01950	39.0
166.02290	1.4
166.99864	0.7
169.01463	9.0
173.02449	1.8
175.00436	0.9
175.04095	1.0
176.01169	6.9
177.01944	41.4
178.02322	1.5
189.01987	1.6
190.02766	3.6
193.01367	1.5
198.03171	0.7
201.01849	1.4
202.99875	3.5
204.00626	2.4
205.01437	8.6
217.01552	1.0
218.02167	4.8
229.01454	1.3
231.02780	0.9
233.00894	2.5
237.05629	1.4
239.07141	1.6
247.02563	1.2
248.02678	1.4
253.05113	1.3
261.00565	1.0
265.05051	2.4
275.01886	1.5
281.04547	3.0
283.06052	1.8
288.99915	3.5
299.05606	0.9
300.99973	4.4
301.03125	0.9
302.00449	0.9
303.05124	2.0
309.04062	15.0
310.04517	1.5
311.05637	1.1
327.05121	100.0
328.05389	6.7
329.06827	1.4
343.04568	1.1
373.05511	1.0
452.05969	2.2
479.06155	3.3
597.08453	1.3
615.04114	5.2
615.14178	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	615.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22289	0.8
59.01368	1.6
60.02967	0.9
61.98833	1.7
63.02411	3.5
63.04746	1.0
65.00329	4.9
69.03725	4.6
69.04147	3.3
71.01396	3.0
83.01405	5.0
85.02951	1.2
85.53544	0.9
89.02480	1.1
93.03471	1.9
107.01395	15.2
109.02962	2.2
121.02971	8.8
123.00887	1.9
125.02445	12.0
126.02792	1.6
134.03810	1.4
135.04547	3.6
136.04868	2.5
137.02480	1.8
139.00410	0.8
139.04073	1.0
144.03152	0.8
149.02438	2.2
151.00385	46.3
152.00731	1.5
161.02425	2.1
163.00342	2.2
163.03845	1.3
164.01196	1.3
165.01929	0.9
168.00652	1.4
169.01439	16.4
170.01776	2.1
171.01865	1.1
178.99872	18.1
193.01424	1.1
193.05101	3.9
211.04132	1.0
219.01668	0.8
227.03496	2.1
243.02972	2.0
245.04558	1.4
251.43008	0.9
255.02986	2.8
257.04654	1.2
271.02530	8.6
273.04062	2.6
283.02460	1.1
298.10901	3.7
299.01889	1.1
299.11322	4.9
300.02734	14.7
300.11536	4.4
301.03552	100.0
302.03973	6.0
303.12521	5.4
313.05801	4.9
314.05859	1.5
315.06058	1.6
317.03278	1.5
452.20853	4.4
453.21484	9.1
463.08838	16.9
465.06461	1.3
615.09747	27.7
615.19232	5.1
615.24152	5.5
616.10181	3.2
616.23889	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	615.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90369	0.3
59.01366	0.4
63.02399	2.4
65.00323	3.8
67.73687	0.4
69.24544	2.8
70.16438	0.3
71.01343	0.5
73.28675	0.3
73.73985	0.3
79.16174	0.3
81.03468	0.4
82.74812	0.3
83.01402	3.5
84.74567	0.3
90.54240	0.3
94.85119	0.3
98.22026	1.2
107.00739	0.6
107.01409	8.4
109.02966	6.6
119.01449	0.4
123.00848	0.8
125.02473	4.0
135.00826	0.5
137.02460	17.7
137.03534	0.8
137.46812	0.4
138.02786	0.6
151.00388	30.7
152.00732	1.0
155.03560	0.5
159.04536	0.4
163.00418	3.2
164.01102	0.5
165.01932	2.0
169.01453	3.9
171.04567	0.5
175.04036	1.1
177.01848	0.4
178.99881	20.9
180.00182	1.2
189.05455	0.4
190.99841	0.5
192.00629	1.8
193.01340	1.3
197.02393	0.4
197.70415	0.4
199.04034	1.0
203.03526	0.6
215.03358	0.5
217.01436	0.5
217.05083	0.4
227.03520	1.9
242.02278	0.6
243.02966	2.1
245.04672	0.7
255.02943	1.0
255.39928	0.4
259.02258	0.6
261.04065	1.4
270.01843	0.4
271.02518	5.1
272.02972	1.0
287.02008	1.4
298.98853	0.4
299.01968	1.5
300.02786	1.0
300.99930	1.1
301.03287	0.9
316.02200	3.1
317.03040	100.0
318.03378	7.1
346.51675	0.4
359.43695	0.3
463.08884	1.9
579.30383	0.8
615.09979	18.7
616.10175	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	615.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.8
70.82895	7.5
83.01399	12.4
83.16055	3.2
93.03468	4.7
102.18340	2.7
102.63559	3.5
109.02975	10.4
116.92872	10.3
121.02974	8.3
123.00906	2.9
124.01709	3.6
125.01537	5.5
125.02462	100.0
126.02834	5.2
135.04495	3.6
136.01775	2.8
137.02467	83.6
139.04091	2.9
149.02530	7.3
150.03127	3.3
151.04028	5.7
159.04585	4.0
161.02444	4.5
163.00386	5.3
163.03993	6.1
164.01181	12.5
165.01939	17.9
169.01450	15.2
175.04056	3.1
176.01207	5.3
177.01964	43.4
178.02477	4.0
187.04099	12.5
189.01967	19.9
190.02554	3.1
192.32916	3.0
193.84933	2.7
195.25729	3.0
199.00131	3.0
201.05559	4.6
211.00146	27.6
211.04059	3.5
225.05447	3.7
227.03426	8.7
229.05142	5.8
231.02907	4.5
232.21516	2.9
243.06468	7.9
251.03209	4.9
253.01250	10.6
255.02994	21.1
257.04575	4.6
261.04123	13.2
271.02243	9.1
273.03995	7.0
283.02277	10.4
289.07513	2.8
295.02255	92.3
296.02667	7.8
301.00070	2.8
301.03577	6.2
303.05225	5.2
310.99664	5.6
311.05408	49.6
315.01022	6.7
325.03323	42.0
327.05136	6.7
337.03342	29.2
363.04965	6.0
403.07770	4.4
429.05966	9.7
447.07175	24.0
453.10211	3.3
463.06412	15.5
489.07944	3.9
531.79224	3.0
554.57184	2.9
615.10779	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	615.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48119	3.3
56.90945	3.9
57.81115	3.1
59.01374	9.2
60.53291	3.3
60.65788	3.5
61.12327	3.1
61.98827	5.9
62.99950	3.4
65.00335	6.0
69.33902	23.7
71.01380	9.7
75.00864	3.5
82.95437	4.1
87.00888	3.2
89.03956	3.9
91.01907	3.4
95.01419	6.0
96.35531	3.5
96.96030	4.8
98.21841	8.2
101.02456	3.7
109.03018	4.0
117.03480	9.1
119.01411	4.2
119.05015	3.4
121.02977	6.1
123.00882	5.6
125.02464	8.4
128.03543	7.4
132.02199	11.0
133.02963	10.6
137.02460	9.6
139.00394	3.8
143.01456	7.0
143.04631	8.2
144.02147	5.1
145.02963	25.7
145.95139	3.6
147.00903	10.3
147.04572	5.1
148.01778	4.5
151.00397	5.8
156.02068	3.2
156.95821	3.4
157.02979	5.2
159.00890	5.8
160.01665	7.3
161.02473	47.8
163.00410	13.5
163.04004	13.7
165.01912	5.7
169.01488	7.5
171.00911	15.4
171.10277	16.6
172.01656	11.9
173.02490	21.7
174.03168	4.9
175.00443	5.7
175.04028	8.8
176.01163	7.7
177.01941	7.0
178.99907	5.1
179.03519	7.2
185.02316	8.1
187.00375	14.2
187.03981	5.3
188.01146	26.3
189.01949	47.7
190.02701	13.1
190.99879	5.6
191.03499	14.6
192.00620	7.9
193.98622	11.0
199.00401	26.9
199.03952	4.3
200.01138	17.1
201.01950	35.4
203.03491	12.8
205.01459	6.3
207.99997	4.5
209.00967	5.9
213.02040	5.2
214.99931	25.3
215.03423	6.9
216.00685	18.8
217.01399	36.8
218.02011	4.6
219.02975	8.3
225.11325	8.4
226.99780	25.0
227.03453	4.4
228.00656	9.1
229.01491	32.9
229.05074	9.9
230.01880	4.7
230.99445	5.2
231.03004	4.8
233.00945	6.2
234.90213	3.4
241.04959	5.6
242.99367	27.3
243.02995	5.8
244.00055	15.6
245.00992	28.3
246.01672	5.8
247.02464	10.7
254.99432	23.9
255.03069	4.3
257.00977	15.0
259.02567	8.2
259.99677	20.1
261.00406	11.0
270.98853	44.4
271.99655	11.0
272.08853	10.6
273.00473	39.0
273.03485	6.6
275.02164	5.0
282.01990	4.0
287.01965	16.7
289.03531	8.0
298.98386	78.7
299.99060	11.9
300.02377	4.8
300.99921	32.7
301.03336	7.0
304.06146	10.1
305.03146	12.9
331.00946	13.4
341.03110	7.1
410.06909	3.5
483.12808	13.7
499.12390	6.1
511.12521	10.3
521.11060	6.1
527.11841	38.5
528.12756	6.3
539.11963	40.0
540.12561	5.9
555.11499	98.2
556.11926	13.2
565.09912	38.8
566.09967	5.7
571.14075	7.1
583.10901	82.2
584.11224	12.3
597.12531	100.0
598.12567	12.2
615.13617	39.7
616.14130	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	617.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65535	2.1
59.01373	2.6
60.18740	2.3
61.98841	14.2
63.36248	2.2
71.01384	11.8
72.99299	5.5
78.95908	2.2
87.00890	5.0
87.92542	3.6
88.98828	10.1
89.02468	3.0
96.54523	2.6
107.01378	4.5
108.90215	38.4
109.02939	11.7
110.89977	3.6
111.00897	7.8
113.02486	2.8
115.00396	27.4
121.68984	2.3
123.00935	5.0
125.02466	45.1
126.19741	2.6
128.83990	2.2
133.01445	51.3
136.98801	2.5
137.02452	7.2
139.00404	3.6
139.04073	2.5
140.01192	5.4
146.94673	2.6
149.02428	4.4
152.01154	2.8
153.01907	3.5
165.01965	10.4
167.03484	18.2
168.00679	14.1
169.01445	60.1
177.02025	2.7
191.01984	4.5
192.07599	2.4
193.01448	17.6
206.97214	2.9
211.02475	56.6
216.26445	2.6
217.05125	2.9
245.89828	2.1
258.98419	2.4
271.04565	24.3
274.80905	11.0
275.02084	3.3
285.04059	4.5
300.99942	6.7
303.05133	16.2
313.05762	11.3
331.06747	9.3
405.62518	2.5
483.07825	100.0
484.08279	10.3
527.14258	3.4
577.92627	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	617.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22899	0.7
51.95757	0.7
52.13292	0.7
52.31881	0.7
59.01379	3.4
59.09071	0.8
66.73730	0.7
71.01387	10.7
71.02607	1.7
72.22753	0.7
72.87197	0.8
72.99321	1.4
73.02965	0.8
77.33371	0.8
85.02976	1.1
87.00890	1.1
89.02464	3.1
96.96004	1.3
97.32951	0.8
98.95612	1.3
99.04524	1.1
99.92610	2.0
101.02457	4.1
102.58807	0.7
108.02201	1.6
115.00384	27.4
116.92863	11.2
125.02465	7.1
133.01443	100.0
134.01779	1.6
143.03496	0.9
161.04590	3.3
169.01447	13.0
189.99164	0.7
211.02644	0.8
229.01508	0.9
285.02563	7.9
285.05899	1.2
331.06726	2.1
367.12402	0.9
480.05823	0.8
483.07974	4.4
617.22919	8.4
618.23309	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	617.1154
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03466	6.1
65.00317	3.1
70.38745	1.2
70.39116	3.4
71.01377	2.2
72.53661	1.3
73.72608	1.1
74.92112	1.0
77.64993	1.1
78.56803	1.2
81.03449	1.6
83.01408	4.3
95.01395	2.3
107.01399	9.4
109.02976	3.3
111.00888	1.4
121.03004	2.1
123.00907	5.8
123.04555	3.3
124.01723	1.7
125.02463	100.0
126.02821	1.3
136.98885	1.4
137.02469	3.3
139.00400	2.6
139.04066	1.6
147.04552	2.3
149.02438	7.4
150.03210	1.5
150.54721	1.1
151.00395	21.7
151.04031	3.4
152.01039	1.4
153.01944	12.5
163.00397	12.1
165.01970	1.7
167.03534	1.9
168.00684	4.6
168.99989	2.4
169.01439	49.2
171.04469	2.5
174.03282	2.7
175.04025	14.0
176.01184	4.4
177.01956	13.8
178.99901	9.2
181.01544	2.1
189.05666	2.5
199.03969	6.2
201.02042	2.2
211.02449	8.5
217.05112	9.2
241.05061	5.2
243.03122	1.7
267.02969	1.3
271.04520	5.8
275.05597	2.8
284.03192	6.3
285.04077	55.5
286.04431	4.7
303.05142	16.0
304.05301	2.1
313.05698	42.4
314.05975	2.8
327.05032	2.3
340.23465	1.1
439.08652	5.5
447.09903	1.7
465.06665	3.7
466.07635	1.9
477.06885	1.9
493.06409	4.6
495.07825	1.6
589.12482	8.9
599.10474	26.1
600.11090	3.8
617.11505	78.9
618.11841	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	617.1153
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03445	1.4
58.42287	1.0
59.01373	1.3
62.95524	1.1
64.22267	1.0
69.03481	1.2
69.35707	7.0
71.01389	1.9
81.03473	12.2
83.01378	5.5
85.02935	1.1
93.03467	2.4
95.01363	1.1
95.05030	5.1
97.02946	5.4
99.04534	7.8
106.00552	1.1
107.01449	1.6
108.02206	2.0
109.02962	50.7
110.03285	1.6
113.02445	1.9
121.02957	7.6
123.00897	4.6
123.04521	5.3
124.01671	1.6
125.02454	35.7
133.02954	1.3
137.02460	18.8
139.04001	3.5
139.63220	1.0
140.01181	1.2
142.33109	1.2
147.04504	1.2
149.02440	9.6
150.68051	1.1
151.00410	3.8
153.01909	2.0
161.06052	1.3
163.00400	1.8
164.01202	3.9
165.01950	31.4
166.02577	1.7
167.03511	82.2
167.43608	1.0
168.00671	1.6
168.03853	2.7
169.01450	16.5
174.03183	2.4
175.04016	7.7
177.01932	12.0
178.99925	1.1
188.04721	1.1
189.05562	2.4
193.01436	25.3
197.06154	1.3
199.03986	5.8
201.02028	2.0
205.47174	1.1
211.02504	5.3
213.05467	1.5
216.04347	1.7
217.05023	9.5
219.03056	2.0
228.57632	1.0
235.06049	1.8
241.05069	11.2
243.02989	1.6
251.44283	0.9
257.04590	1.2
259.06091	7.4
271.04654	1.4
285.04071	28.8
286.04425	1.9
303.05127	100.0
304.05493	7.1
313.05667	15.7
316.19858	1.2
329.08914	1.5
331.06781	17.4
345.06281	1.6
378.92395	1.3
465.10266	4.3
481.09848	22.7
482.10565	2.5
491.08496	4.6
599.10260	1.7
617.11444	17.5
618.11847	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	617.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20195	1.2
57.03443	1.6
65.00337	1.6
77.98419	1.3
79.95753	1.4
81.03453	2.2
83.01387	2.9
84.65500	1.1
89.09983	1.0
95.01425	1.8
96.96018	18.4
97.02946	1.7
98.22579	3.5
98.95596	15.7
98.96302	1.8
98.96489	1.8
99.92618	7.2
107.01417	2.0
108.02193	11.6
109.02969	17.5
115.92073	2.1
121.02964	3.0
122.03776	1.8
123.00882	4.0
123.04542	15.7
125.02460	68.2
133.02957	4.7
137.02440	8.5
145.02980	13.4
147.04570	2.9
149.02477	3.2
151.00433	3.7
151.04002	7.1
156.05034	1.1
159.04561	3.9
160.01694	2.5
161.02483	2.8
161.06102	1.4
164.09605	1.1
165.01949	5.3
166.99860	4.1
169.01447	88.5
170.01805	3.2
171.10307	2.9
174.03201	1.5
175.04050	5.6
176.01160	2.0
177.01949	43.7
178.02299	1.9
179.03551	1.9
183.04465	1.5
187.04036	4.9
189.01962	37.2
189.03656	2.5
190.02690	9.8
191.03487	8.9
192.03946	1.2
193.01465	4.5
199.04031	3.9
201.01956	4.3
203.03560	5.4
203.07216	2.8
205.04898	1.5
209.04558	1.7
209.11842	2.3
214.02588	1.2
215.03465	1.4
216.00696	6.5
217.01445	34.8
218.02008	4.7
219.03043	12.5
227.03607	2.0
227.07150	2.4
229.04991	1.2
231.03062	10.9
241.01367	5.7
241.04927	1.9
242.02226	1.6
243.02979	5.2
245.08327	4.8
253.05077	4.1
255.02901	2.6
259.06003	1.3
270.01733	2.9
271.02713	11.9
271.05853	10.7
272.02899	1.3
281.04535	2.4
289.07193	23.8
297.04205	2.5
297.07663	1.5
298.01315	1.6
299.02039	20.6
299.05408	1.1
300.02808	6.1
300.06082	1.6
301.03787	2.2
301.07095	10.3
312.06488	1.5
313.07227	4.6
315.05087	4.0
315.08725	2.8
315.99182	1.5
322.04843	2.5
323.05618	21.3
325.95288	4.0
327.08820	1.6
337.07333	6.1
341.06689	61.6
342.07031	4.4
345.09833	8.4
353.94803	10.9
354.95447	4.0
355.08203	4.4
355.96225	1.5
377.79974	1.3
381.94318	5.6
382.94882	4.9
390.98929	1.3
399.95416	1.4
447.10828	12.6
449.12167	2.9
458.49933	1.5
465.11951	100.0
466.12302	12.2
491.10510	1.5
507.09265	4.1
517.09692	2.0
617.02844	33.2
617.13062	8.0
618.02808	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	617.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	8.8
69.03452	2.1
71.01400	2.8
86.79356	1.7
93.03462	2.7
95.01402	2.5
97.02950	4.0
98.94701	1.7
101.02461	1.8
107.01404	5.7
108.02213	8.4
109.02985	12.9
121.02967	2.3
122.03798	2.9
123.00907	5.8
123.04507	10.6
125.02461	75.6
126.02776	2.6
133.02966	4.5
137.02451	3.2
139.00485	2.1
145.02986	9.3
147.04576	2.7
149.02414	3.0
151.00363	3.0
151.04030	6.1
152.03580	3.0
153.02037	2.0
159.04453	2.3
160.01675	3.0
161.02443	1.9
164.37994	1.8
165.01961	3.3
166.99840	3.4
167.03484	4.5
168.00684	2.2
169.01443	100.0
170.01813	3.4
175.04060	2.7
177.01918	34.5
187.04079	3.8
189.01939	25.6
190.02670	9.2
191.03496	6.1
193.01497	4.8
201.01965	2.6
203.03487	5.1
211.02516	3.4
216.00708	5.1
217.01437	31.0
218.02402	1.9
219.03020	7.7
231.03041	8.9
259.06027	1.8
271.06146	2.8
289.07300	3.4
300.99838	1.7
301.03860	3.0
301.07217	9.5
301.30969	2.2
309.03986	2.0
313.05475	8.8
323.05609	13.3
337.07260	5.0
341.06680	49.5
342.07050	3.1
355.08469	3.4
377.97104	1.9
440.28381	1.7
447.10730	8.7
465.06589	36.9
465.12000	75.8
466.12555	10.2
561.91785	1.9
617.12665	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	617.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57375	0.5
59.01389	1.9
69.87257	2.8
71.01365	2.2
71.20257	0.6
81.12129	0.6
83.01405	1.7
89.02433	1.2
95.01393	1.1
96.96001	0.9
101.02436	1.0
101.03870	0.7
108.02213	0.6
111.00883	0.8
113.02444	1.0
117.03510	1.1
119.05020	0.7
123.00888	2.5
128.03516	0.9
131.05057	0.9
133.03011	0.7
137.02440	2.1
143.04633	0.8
145.03006	3.0
147.04457	0.8
149.02448	0.7
157.02960	1.8
159.04576	0.7
161.02441	1.5
163.00356	2.7
163.04012	1.4
163.11273	1.0
163.79787	0.5
165.01933	2.3
169.01378	0.7
171.10291	27.7
172.10635	1.1
173.02411	3.1
175.04022	1.0
177.01933	1.2
178.14690	0.6
179.04742	0.5
185.02472	3.7
189.01965	2.5
190.02730	1.8
191.03503	1.9
197.11871	1.5
199.13240	0.6
201.01935	7.6
201.11403	1.2
203.03522	3.8
205.05197	0.7
208.00119	1.5
209.00905	0.8
209.11844	22.2
210.12190	1.2
213.01871	1.4
217.01428	5.3
218.02159	1.5
219.03024	1.6
227.12921	4.6
229.01428	12.2
230.02016	1.1
231.03033	1.8
235.08194	1.3
245.00993	7.7
247.02448	2.0
253.09311	2.3
257.00937	15.6
258.01614	1.7
266.99207	0.6
272.08994	0.8
273.00443	8.8
274.01074	2.2
274.45148	0.7
275.02014	43.2
276.02432	2.9
283.99631	2.6
289.03503	1.0
291.19571	1.1
299.99112	1.8
300.99930	100.0
302.00299	7.3
306.07797	0.6
309.20801	1.4
333.02332	0.9
352.20129	0.6
485.13242	0.7
541.13513	1.1
557.12775	4.4
558.12970	1.0
585.12579	23.1
586.13074	3.6
599.14294	0.8
617.15192	11.1
618.16052	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	617.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.9
61.98833	0.5
63.81322	0.4
65.00334	1.3
68.99545	0.8
69.43911	2.9
71.01373	1.7
74.04205	0.5
77.94543	0.4
79.01907	0.4
81.03454	0.7
82.59401	0.4
83.05089	0.4
85.02965	0.8
87.00886	0.4
88.98805	0.5
89.02457	1.2
89.03964	0.6
93.03425	0.5
95.01388	0.9
96.96075	0.5
98.22495	0.7
99.00909	2.4
101.02451	1.3
101.03970	0.4
107.01368	0.5
109.02964	1.4
111.00940	0.7
112.98575	0.6
113.02477	0.4
113.09885	0.5
117.03453	0.7
119.01406	0.7
119.05006	0.5
123.00887	1.8
124.01595	0.5
125.02444	0.6
129.03474	0.7
133.02974	0.8
135.00896	1.0
137.01463	0.7
137.02467	9.5
139.00374	0.6
141.03479	0.4
143.04565	0.5
145.02995	3.8
147.00906	1.6
147.04518	1.4
148.01721	0.8
149.02406	0.8
153.01953	0.4
157.02963	2.1
159.04523	0.8
161.02444	1.1
161.04634	0.5
163.00378	8.5
163.04002	1.0
164.01114	1.7
165.01958	8.1
166.99901	0.6
169.01512	0.5
171.10284	12.1
173.02437	4.0
175.00427	0.6
175.04050	1.6
176.19028	0.5
177.01953	1.3
178.99893	1.3
185.02472	4.8
187.04012	0.9
189.01985	2.3
190.02722	1.9
190.99854	4.5
191.03511	1.9
192.00471	0.6
193.01410	3.9
197.11818	1.5
201.01939	8.9
201.11311	1.6
202.02490	0.7
202.99800	0.5
203.03499	3.8
205.01392	0.7
206.99353	0.9
208.00142	3.4
209.00945	7.5
209.11865	8.3
213.01988	1.5
217.01413	4.9
218.02113	1.2
218.99271	1.1
219.03018	1.6
222.01912	0.4
223.02536	0.5
227.12971	2.2
228.00587	0.9
228.99110	0.8
229.01424	14.9
230.01830	1.2
231.02963	1.9
237.00371	1.8
245.00932	8.1
246.01418	1.2
247.02451	1.6
251.02092	0.6
253.09334	3.0
257.00934	21.3
258.01578	4.1
259.02393	0.9
273.00455	7.0
274.01230	2.8
275.01999	60.6
276.02335	3.8
283.99594	2.4
289.03564	2.5
291.19614	2.8
299.99124	1.6
300.99921	100.0
302.00253	6.3
309.20667	9.6
310.21201	0.6
333.02594	5.5
489.14188	0.8
491.75824	0.5
517.13269	0.6
545.29578	1.7
557.12909	2.8
585.12555	20.7
586.12744	3.2
589.15668	7.4
590.15643	1.3
617.15131	21.7
618.15649	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	617.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67987	5.3
56.58473	5.5
59.01388	46.2
61.98838	79.2
63.02419	7.2
65.00322	11.8
69.15909	12.7
69.16315	37.3
71.01389	36.9
80.81942	4.8
83.01392	10.9
85.02953	6.7
89.02459	63.3
98.21765	7.1
101.02459	29.5
102.56431	5.5
102.91683	5.5
107.01433	32.3
109.03001	19.3
111.00873	6.0
113.02503	22.4
119.03533	36.9
121.02957	16.3
121.61215	5.2
123.00906	11.4
123.04533	5.8
124.01685	9.7
125.02460	86.1
126.02857	9.1
137.02496	16.0
139.04042	8.8
143.03505	7.9
149.02419	10.0
150.03259	7.3
151.00375	49.9
151.04008	9.0
152.00743	23.5
153.00891	13.5
153.02008	9.8
161.02443	7.6
161.04642	12.7
163.00375	10.3
165.01985	15.3
167.03557	8.9
168.00670	9.1
169.01460	67.6
170.01807	7.3
175.00278	5.4
175.03920	7.1
177.01936	10.9
178.99881	18.6
179.05632	33.2
180.00211	13.2
183.02986	23.2
187.03934	7.2
195.06699	6.4
255.02835	8.0
271.06161	10.0
285.04111	12.6
289.07297	18.6
301.03513	79.7
302.03909	77.3
302.54529	6.7
303.04166	81.5
313.05640	11.2
401.16068	37.3
465.06598	12.1
541.23212	5.9
581.22699	35.1
599.10950	7.0
617.10602	100.0
618.10858	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	617.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35494	0.5
55.01862	0.7
57.03439	0.6
59.01387	49.9
69.00993	5.2
71.01387	8.4
73.02935	2.3
83.01379	1.4
85.02939	2.6
89.02433	1.2
95.01392	1.4
97.02952	0.9
98.21922	2.0
99.00852	0.7
101.02451	5.4
107.01398	3.3
109.02945	1.5
110.45168	0.6
111.00848	1.0
111.55412	0.6
112.40073	0.6
113.02482	3.4
122.03709	2.7
123.00867	2.0
125.02462	21.4
126.02789	1.1
130.07712	0.6
134.03810	0.9
135.04553	4.5
136.01666	4.6
136.05299	1.7
137.02435	1.2
139.00362	1.4
140.01231	0.8
143.03474	2.1
148.05299	2.6
149.06100	18.8
150.06888	9.8
151.00352	1.9
151.04041	3.8
159.03024	1.3
161.04573	18.2
162.06499	0.7
163.07651	3.0
164.04808	5.2
168.00691	1.2
169.01440	23.0
178.99873	1.5
179.55740	0.6
181.12323	2.3
193.01396	1.0
205.03491	1.0
205.12311	1.7
217.12439	0.9
218.13087	2.2
219.13910	3.9
230.15858	0.7
231.13878	0.7
232.14694	100.0
233.15419	42.0
234.15871	1.5
237.14955	1.3
245.00861	1.1
247.13387	5.6
265.14536	2.6
273.00363	1.0
275.16727	3.5
295.04529	1.0
298.98456	1.2
300.99854	1.5
313.05682	4.5
319.03824	0.9
360.66922	0.8
390.16202	0.6
395.20764	78.3
396.21149	7.8
435.05359	0.7
465.06857	2.9
465.11716	0.8
466.07251	0.7
507.32394	0.7
617.11572	21.0
617.24133	1.2
618.11810	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	617.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16331	4.7
59.01383	100.0
71.25839	11.1
75.00880	8.1
76.55244	5.2
85.91290	6.2
88.16486	5.7
99.26195	5.3
103.01499	67.1
126.39484	5.3
164.23837	5.4
221.55319	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	619.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73371	1.2
63.57742	1.0
73.90878	0.9
93.31528	1.2
96.96029	2.0
99.92590	12.8
116.92876	100.0
117.92877	3.3
118.89993	3.2
120.16994	1.2
125.02471	3.1
136.07503	1.3
169.01447	3.6
171.10236	1.3
177.65833	0.9
228.87000	1.5
255.03040	1.2
440.75562	1.2
457.52667	1.1
486.27225	1.2
620.00366	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	619.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69083	1.6
70.58297	4.8
71.01399	3.3
77.80923	1.7
89.04018	1.6
95.01390	3.1
96.95989	2.1
108.02175	2.6
109.02982	2.4
111.00927	1.9
117.03451	4.6
121.03033	1.9
123.00903	7.0
124.01676	14.6
125.02469	12.3
133.02977	6.3
135.04594	2.4
137.02466	4.1
139.04033	4.9
145.02966	12.6
147.04543	3.8
149.02367	2.4
151.00377	2.5
152.01118	1.8
153.01996	2.7
161.02449	14.0
163.04062	6.3
165.01932	2.2
165.05614	2.7
169.01453	17.1
171.00848	2.6
173.02466	9.4
175.04074	3.1
176.01022	2.2
177.01938	5.8
179.03557	2.4
185.02464	2.0
188.01212	2.9
189.01941	21.9
190.02792	9.5
191.03517	30.8
192.03697	1.9
193.01450	3.7
201.01872	8.4
203.03600	2.9
203.19321	1.6
205.01442	4.8
217.01460	37.9
218.02232	6.4
219.02902	8.9
221.00851	2.6
229.01340	9.0
235.02496	6.0
242.99344	3.4
245.00929	38.1
246.01447	2.7
247.02448	24.7
261.00494	2.7
263.02051	3.4
265.93640	2.1
270.98978	7.2
273.00439	100.0
274.00742	8.5
298.98462	9.1
299.98941	3.8
300.99988	7.5
313.05588	2.4
378.68231	2.2
391.06439	2.8
435.05704	2.9
465.06757	8.0
519.11591	12.5
520.11719	1.9
531.11383	3.0
547.11133	16.0
557.09399	6.3
573.08905	6.6
575.10461	60.4
576.10980	5.7
601.08514	6.1
619.09485	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	619.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76467	0.6
56.00302	0.8
67.01898	0.9
69.03463	2.9
69.20945	0.7
71.01382	3.2
79.73308	0.6
81.03461	1.0
83.01423	0.9
85.02956	1.7
85.43969	0.7
91.28721	0.6
95.01369	1.6
96.96040	0.9
96.97831	0.7
97.02955	2.3
101.02458	1.7
102.29321	0.6
107.01398	5.8
108.02177	1.2
109.02963	32.3
110.03305	0.9
111.00912	2.3
112.01884	0.7
113.02468	1.5
121.03019	1.2
123.00881	3.9
123.04519	0.9
124.01688	1.9
125.02460	86.3
126.02789	2.5
137.02524	1.5
139.00389	1.9
140.01149	1.7
149.02440	1.1
150.03224	0.7
151.00365	3.5
151.03989	1.4
152.01141	2.0
153.01955	41.0
154.02325	1.5
161.02440	1.9
165.01935	3.1
166.99905	1.5
167.03503	1.5
168.00725	3.5
169.01445	100.0
170.01782	3.5
170.03105	0.9
175.04054	0.7
177.01958	1.4
179.03468	1.0
191.03510	1.2
193.01413	4.4
195.02983	5.7
207.03038	0.9
211.02493	4.9
225.03860	1.2
235.02478	1.0
246.01590	1.1
253.03545	1.0
255.05176	1.9
261.04266	0.8
271.09720	1.0
273.00519	0.9
279.05215	1.7
287.02161	1.2
287.05475	1.1
293.47229	0.7
295.04532	1.0
297.06131	2.5
305.06516	1.8
313.05722	8.0
314.05966	1.0
315.07007	1.8
359.27780	0.8
402.03088	0.8
407.06284	3.0
426.74335	0.8
433.06622	0.7
449.07309	19.5
450.07623	1.7
457.07617	2.5
465.06711	8.0
466.07184	1.0
467.08258	13.5
468.08826	1.6
483.07904	0.8
582.90070	0.9
619.09406	58.7
620.09723	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	619.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69083	1.6
70.58297	4.8
71.01399	3.3
77.80923	1.7
89.04018	1.6
95.01390	3.1
96.95989	2.1
108.02175	2.6
109.02982	2.4
111.00927	1.9
117.03451	4.6
121.03033	1.9
123.00903	7.0
124.01676	14.6
125.02469	12.3
133.02977	6.3
135.04594	2.4
137.02466	4.1
139.04033	4.9
145.02966	12.6
147.04543	3.8
149.02367	2.4
151.00377	2.5
152.01118	1.8
153.01996	2.7
161.02449	14.0
163.04062	6.3
165.01932	2.2
165.05614	2.7
169.01453	17.1
171.00848	2.6
173.02466	9.4
175.04074	3.1
176.01022	2.2
177.01938	5.8
179.03557	2.4
185.02464	2.0
188.01212	2.9
189.01941	21.9
190.02792	9.5
191.03517	30.8
192.03697	1.9
193.01450	3.7
201.01872	8.4
203.03600	2.9
203.19321	1.6
205.01442	4.8
217.01460	37.9
218.02232	6.4
219.02902	8.9
221.00851	2.6
229.01340	9.0
235.02496	6.0
242.99344	3.4
245.00929	38.1
246.01447	2.7
247.02448	24.7
261.00494	2.7
263.02051	3.4
265.93640	2.1
270.98978	7.2
273.00439	100.0
274.00742	8.5
298.98462	9.1
299.98941	3.8
300.99988	7.5
313.05588	2.4
378.68231	2.2
391.06439	2.8
435.05704	2.9
465.06757	8.0
519.11591	12.5
520.11719	1.9
531.11383	3.0
547.11133	16.0
557.09399	6.3
573.08905	6.6
575.10461	60.4
576.10980	5.7
601.08514	6.1
619.09485	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	619.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
67.01876	1.6
69.03437	2.3
69.11574	2.8
69.11974	6.8
71.01394	6.3
78.95885	2.8
79.01895	1.0
81.03472	1.2
85.02939	2.5
95.01431	2.7
96.96027	11.4
96.96975	3.9
97.02994	1.6
98.21799	2.6
101.02415	1.4
107.01400	7.6
108.02192	10.7
109.02985	9.2
111.00866	2.7
113.02473	2.4
123.00903	12.0
123.04415	1.5
124.01734	1.2
125.02464	59.9
126.02809	2.5
128.92859	1.2
136.98871	1.7
137.02463	2.0
139.00368	4.8
140.01164	4.6
141.01884	2.0
141.44754	1.3
151.00407	9.5
151.03938	1.3
152.01181	9.2
153.01958	9.2
165.01888	1.5
166.99843	1.7
167.03537	2.7
168.00676	6.6
169.01447	91.8
170.01709	4.2
171.01764	1.7
177.01933	1.8
179.03444	2.9
193.01398	6.3
211.02480	8.1
223.02347	1.5
241.03439	1.9
253.03375	1.4
273.00470	1.4
284.43210	1.4
295.04614	2.8
297.06262	5.8
313.05688	33.0
314.06219	2.7
316.02145	1.6
465.06775	48.1
466.07556	6.2
467.07733	5.0
521.20276	1.5
525.29907	1.5
575.10309	6.4
601.07880	1.8
619.09344	100.0
620.09808	11.9
629.25928	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	619.131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36525	3.0
57.03453	5.5
65.28245	3.6
71.01379	3.4
71.27419	5.4
83.01380	8.6
95.01350	3.3
107.01396	4.4
107.05036	6.8
109.02961	34.7
110.72386	2.8
113.02386	3.4
113.13240	3.0
121.02972	12.6
123.00919	4.5
123.04594	3.5
124.01702	5.4
125.02468	90.6
133.02937	3.2
137.02473	43.3
139.00435	4.2
139.04004	9.8
140.01169	3.5
149.02406	4.3
151.00359	3.3
151.04045	25.4
161.02429	12.2
163.79945	3.2
164.01204	4.9
165.01944	23.0
167.03522	35.1
168.00677	7.6
169.01471	50.6
175.04024	10.6
177.01950	15.0
179.03581	20.8
193.01395	5.7
203.03412	6.9
211.02509	14.8
217.04959	3.5
218.64854	3.1
219.06567	7.9
224.70207	3.6
259.06161	8.4
260.06793	3.2
261.07590	7.0
287.05579	18.8
300.99896	42.2
305.06644	28.1
313.05725	14.1
327.85190	3.8
329.08774	9.8
331.06802	22.3
341.08798	3.8
467.12054	43.5
468.11914	4.6
481.09982	7.4
493.10339	4.5
619.13141	100.0
620.13269	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	619.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87633	1.5
53.09222	1.5
57.03455	5.4
58.74804	2.0
59.01373	1.7
69.24471	4.2
69.24890	9.1
71.01386	3.0
79.04333	1.6
81.03490	2.5
82.68657	1.7
83.01405	7.9
83.78941	1.6
93.03451	2.5
95.01354	2.0
97.02979	3.6
107.01422	3.7
107.05045	3.7
109.02969	24.7
110.98071	1.9
111.04531	2.3
113.02462	2.5
121.02960	5.7
123.00884	8.7
124.01692	4.3
125.02468	85.8
126.02803	2.7
133.03035	1.7
134.89423	2.5
137.02464	33.9
137.03503	1.9
138.03255	1.8
139.00407	2.2
139.04019	11.5
140.01208	1.9
149.02496	3.3
150.03322	1.7
151.04039	22.0
161.02484	7.3
164.01151	2.7
165.01959	12.4
167.03529	35.0
168.00740	4.9
168.03839	1.7
169.01468	30.7
173.06071	2.8
175.04031	9.7
177.01956	10.1
177.05629	3.8
179.03563	19.5
189.05586	2.8
191.03477	1.9
191.07205	2.6
193.01466	2.3
193.05161	2.1
201.05609	3.6
203.03546	2.5
204.04247	2.2
211.02512	7.0
217.05052	1.9
219.06709	9.9
221.04610	5.9
227.03490	1.7
237.07724	2.2
243.06760	2.5
245.04709	2.5
259.06201	6.5
261.07693	8.0
271.04660	2.5
287.05630	17.5
305.06671	22.8
305.63867	1.9
313.05652	11.3
329.08795	7.8
331.06741	18.8
341.08710	3.9
345.47775	1.7
423.13116	4.8
467.11990	55.9
468.12531	4.2
481.09979	17.0
493.10046	3.1
535.10974	2.0
575.14203	3.3
619.13123	100.0
620.13580	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	619.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
64.52087	0.7
69.03460	1.1
71.26604	0.9
83.01389	1.7
95.01373	1.2
97.02969	1.8
105.03488	0.8
107.01392	1.7
109.02961	3.8
121.02972	0.9
123.00906	3.0
123.04528	1.1
124.01657	2.7
125.02464	80.9
126.02782	2.7
137.02457	6.3
139.00403	1.1
139.04022	1.5
149.02457	1.7
151.00386	1.0
151.04066	1.4
153.01971	2.0
159.04498	0.9
161.02504	4.8
161.64957	0.8
165.01968	4.0
166.02695	1.0
167.03525	9.3
168.00664	4.2
169.01447	100.0
170.01776	4.4
175.04094	0.9
176.63799	0.8
177.01955	2.7
177.05624	0.9
179.03548	2.6
179.53229	0.7
193.01437	5.7
201.05504	0.8
203.03471	1.0
211.02522	1.2
212.02922	0.7
214.39729	0.8
218.05684	0.8
219.06667	2.9
221.04541	1.5
225.05602	0.9
229.01416	2.0
243.06546	1.1
246.01614	2.4
247.02414	1.4
261.04089	3.1
261.07870	1.1
269.04608	3.4
287.05478	2.8
289.07169	3.2
300.99829	1.4
305.06711	6.9
313.05945	1.2
319.04764	1.2
331.06848	53.9
332.07065	3.0
437.11020	1.2
441.08044	0.8
449.10968	1.1
457.07822	7.2
465.06799	1.7
467.12317	8.1
468.12360	1.0
481.09906	1.7
482.10349	1.2
483.10556	1.1
619.13007	12.3
620.13379	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	619.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75982	0.8
55.12806	0.6
57.03431	1.1
61.98817	1.3
67.01897	1.3
69.03446	3.0
69.11420	5.8
69.11842	1.2
70.68262	0.7
71.01376	2.9
72.99332	0.8
74.02438	1.2
79.01881	0.8
83.01379	0.8
85.02959	1.5
87.00865	2.0
89.02451	0.9
95.01398	2.2
96.95998	1.4
97.02943	1.3
98.22526	1.7
99.90642	0.7
101.02482	1.3
101.95192	0.8
102.40524	0.7
107.01396	8.1
110.00108	1.4
111.00903	3.7
114.25539	0.7
123.00898	19.2
124.01679	11.6
125.02460	36.0
126.02807	1.3
127.00353	1.6
128.03545	1.4
135.04420	0.8
136.98799	2.4
138.03270	1.1
139.00415	6.5
139.04008	4.7
139.11334	1.3
140.01173	7.0
141.01872	1.6
143.04643	2.0
151.00381	7.1
151.59897	0.8
153.01869	0.9
165.01863	0.8
166.99875	1.8
168.00697	4.9
169.01436	39.2
170.01726	1.6
171.10287	1.9
171.39601	0.7
176.85492	0.7
183.10258	2.5
209.11731	1.5
259.07703	0.8
283.12213	0.8
291.78284	0.8
294.60538	0.8
300.99957	1.1
306.07751	1.1
394.82257	0.8
398.07254	0.9
479.15466	6.1
619.20343	100.0
620.20673	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	619.2565
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
64.97247	15.8
71.26898	22.8
71.27237	18.4
93.76034	17.2
101.65433	17.1
178.29761	16.0
199.11842	16.4
222.53749	19.7
412.44052	17.0
451.19159	18.3
459.18542	100.0
473.19876	23.2
493.26892	17.4
499.82657	21.0
518.19421	30.9
533.22125	84.0
619.25775	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69399	0.8
59.25383	0.9
66.90416	0.7
69.57153	4.2
87.57411	0.7
95.01379	1.0
97.16954	0.9
105.03455	2.8
113.02435	1.0
117.03445	1.9
123.00932	1.2
123.04490	0.9
125.02451	8.4
129.42877	0.8
133.02965	8.0
139.00372	1.4
140.01131	0.9
142.40396	0.9
145.02975	4.1
147.04468	1.0
161.02466	31.3
163.03983	3.7
168.00616	1.3
169.01453	8.7
173.02444	1.8
175.04013	1.4
177.01993	2.0
183.35139	1.0
189.01959	36.6
189.64944	0.8
190.02301	1.9
191.03474	2.3
193.01389	2.7
201.02003	1.1
205.01364	1.1
207.02988	3.2
211.02489	4.0
217.01433	36.8
218.01733	1.6
219.02824	1.5
233.00948	3.4
233.21164	0.8
235.02539	1.4
245.00934	9.0
247.02594	0.9
261.00406	38.5
262.00693	2.1
263.01932	2.4
288.99924	100.0
290.00259	5.5
294.15875	0.9
313.05362	1.6
331.06781	6.6
333.15237	1.1
379.02686	0.9
409.04041	2.0
451.05258	7.3
459.39645	1.0
469.05807	7.8
470.06540	1.8
507.16837	0.9
577.10968	0.9
583.01532	0.9
603.06097	1.7
621.07257	30.0
622.07574	3.7
630.45313	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	621.086
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	2.2
65.00325	4.2
69.03445	1.1
71.01377	3.2
71.25775	1.8
73.02953	3.2
80.05058	0.8
83.01393	2.5
85.02961	1.7
88.59074	0.9
93.03475	1.4
95.01395	2.6
101.02426	1.6
107.01409	8.7
111.00916	2.5
121.02957	3.6
123.00884	7.3
124.01632	1.2
125.02460	23.3
127.00407	0.9
136.98811	1.4
138.87929	0.8
139.00392	3.5
140.01173	1.3
141.01974	1.2
145.29411	1.0
148.01643	1.3
149.02432	1.0
151.00383	30.2
161.02486	1.2
163.00359	1.4
166.99805	1.5
168.00673	2.7
169.01454	24.0
178.99908	6.1
180.88976	1.0
183.04446	1.6
187.04073	1.5
190.99861	1.0
192.00542	1.3
193.01414	1.1
199.04062	2.4
201.11339	1.9
215.03505	2.0
226.02716	1.6
227.03497	4.7
243.02997	8.2
244.03539	1.1
255.02975	14.6
255.05417	1.6
256.03735	4.0
271.02499	48.6
272.03003	4.4
295.92776	0.9
297.06213	29.8
298.06451	2.2
299.02005	34.7
300.02737	34.7
301.00156	1.8
301.03543	23.5
302.03900	1.3
313.03030	0.8
323.01733	18.2
341.02737	1.7
429.08249	1.6
447.09341	3.0
479.60760	1.1
583.59534	1.1
621.08630	100.0
622.08807	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	621.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15700	0.7
67.01897	0.8
69.03441	1.4
71.01373	5.0
71.30418	1.7
74.46383	0.9
81.03437	0.8
83.01397	1.0
85.02979	2.5
95.01389	3.4
97.02969	2.5
99.00922	0.9
101.02453	0.9
105.32384	0.8
107.01415	9.2
109.02991	1.0
111.00896	3.2
113.02476	1.7
123.00896	11.5
124.01697	2.1
125.02461	66.2
126.02820	1.0
127.00405	1.0
132.02170	0.8
133.02908	0.8
136.98830	1.4
137.02466	2.4
139.00388	8.0
139.04015	1.0
140.01189	13.3
141.01978	3.7
149.02419	1.6
151.00394	8.4
151.03923	0.7
153.01950	1.6
155.03511	3.1
163.00395	1.5
163.03976	1.1
165.01945	1.9
166.99889	2.7
167.03491	1.8
168.00670	6.4
169.01442	92.7
170.01822	3.1
177.01904	1.0
179.03528	1.6
183.02939	1.3
191.03496	1.7
193.01421	5.4
211.02484	7.4
223.02457	2.0
225.89450	0.8
241.03523	1.6
253.03584	1.3
295.04660	2.8
295.68604	0.8
297.06088	4.4
313.05682	33.9
314.06110	1.5
338.56189	0.8
385.47714	0.8
465.06747	100.0
466.06952	10.5
469.09811	4.5
479.08130	0.9
571.09644	0.9
607.32507	0.9
621.10986	43.7
622.11389	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	621.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26303	0.5
59.01401	0.6
60.60709	0.5
65.07681	0.5
67.01899	1.1
67.02306	0.4
68.99838	0.6
69.03464	1.2
69.58842	1.0
69.59255	1.9
70.30169	0.5
71.01393	6.7
72.99318	1.0
73.02919	0.5
79.01918	1.1
81.03458	0.9
83.01402	1.0
85.02953	2.0
87.00922	0.6
95.01411	3.8
97.02969	1.3
99.00863	1.1
101.02459	1.7
107.01399	10.1
109.02959	1.8
111.00887	3.2
113.02460	2.3
114.63042	0.6
121.02979	1.0
123.00903	12.7
123.04494	0.6
124.01697	1.4
125.02464	66.2
126.02763	2.7
127.86096	0.6
135.04529	1.1
136.98828	1.2
137.02443	1.7
139.00385	8.1
139.04001	1.1
140.01170	14.3
141.02007	2.9
141.76442	0.6
149.02469	1.4
151.00394	7.9
151.04070	1.0
153.01990	1.5
155.03522	3.5
161.02457	1.0
163.00345	0.6
165.01930	1.9
166.02689	0.7
166.99889	2.5
167.03522	2.7
168.00655	7.5
169.01445	89.7
170.01811	3.6
173.36816	0.5
175.04039	1.2
177.02034	1.2
179.03526	2.1
181.01491	0.9
183.02962	1.6
191.03491	1.1
193.01451	5.9
205.01450	0.8
207.03030	1.3
211.02493	8.5
223.02477	1.5
235.02454	0.8
241.03484	0.9
253.03529	2.0
271.04578	0.9
272.09103	0.9
273.00635	0.7
295.04724	3.4
297.06119	4.2
313.05676	31.2
314.06009	2.1
465.06763	100.0
466.07089	8.6
469.10104	3.7
479.08115	1.4
571.08551	1.4
621.11041	41.5
622.11414	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	621.1474
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03444	0.6
57.97554	0.5
58.41607	0.4
70.57453	1.1
70.57785	0.7
76.60903	0.4
83.01418	0.4
93.03478	0.7
95.85876	0.5
96.96030	1.1
107.01393	1.1
117.03469	0.7
125.02478	3.8
137.02495	0.9
137.24947	0.5
151.00381	1.4
159.04478	0.6
161.02489	0.7
165.01877	0.6
169.01427	3.3
169.06538	0.7
171.04475	0.5
177.02005	0.6
183.03070	0.6
183.04514	2.4
185.06091	0.6
187.04015	0.8
199.04013	0.7
211.04042	1.6
213.05511	1.1
227.03531	2.9
229.05309	0.7
239.03525	0.7
255.03014	22.6
256.03391	2.1
269.04648	0.6
283.02515	39.0
284.02969	4.8
285.04071	100.0
286.04443	6.2
299.02017	0.6
307.06207	0.9
327.05026	3.8
446.08609	7.8
447.09332	20.5
448.09589	1.4
459.09262	3.5
460.09418	0.6
592.27130	0.5
621.14575	10.5
622.14868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27675	1.4
73.02983	1.0
117.03474	3.4
118.00100	0.9
119.05054	3.0
119.95437	0.9
125.02485	1.0
125.27873	0.9
143.12000	0.9
145.02966	7.2
149.02444	1.1
150.03246	3.2
151.00352	1.0
160.73880	0.9
165.05602	4.0
166.14615	0.9
196.62819	1.0
214.05066	1.0
237.05658	1.6
252.07948	0.8
264.04272	1.0
265.05072	1.3
269.04498	1.6
279.06638	1.0
280.07443	2.4
283.06213	1.6
292.06393	1.2
293.06943	1.3
294.07935	1.0
300.02933	1.4
308.05753	1.8
309.06213	1.1
318.07773	2.0
320.05804	4.4
321.06332	7.2
322.07224	7.1
323.07755	1.6
324.08829	5.0
334.07166	2.1
335.08206	0.9
336.08768	13.3
337.09152	1.3
367.06754	1.1
377.11618	1.2
381.04968	3.7
395.06570	2.5
425.11813	4.7
428.11551	3.2
429.12125	2.1
442.13123	2.4
443.13657	7.2
444.14401	4.3
454.09305	1.6
455.10178	2.5
456.10739	1.0
458.16095	6.9
468.11411	1.1
469.12634	1.4
470.12463	6.1
484.14276	2.0
487.15134	5.0
488.15759	1.1
489.34695	1.0
499.14951	2.5
501.16803	1.7
606.19763	1.3
621.22467	100.0
622.22784	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	621.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72641	2.2
57.77414	2.3
61.98830	2.3
90.13695	2.3
98.21755	9.6
107.52869	2.5
120.30026	2.5
445.16867	7.1
446.17416	4.6
460.19046	23.1
461.19815	38.9
462.20413	7.8
474.20221	3.3
475.21338	7.2
519.20538	19.4
520.20361	3.7
621.27203	100.0
622.27454	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06305	0.9
58.02980	13.2
59.01375	2.0
70.02981	4.6
70.43839	1.7
70.44186	2.4
72.00916	3.3
75.00875	1.8
91.05538	3.7
100.10223	1.1
113.02431	2.6
121.02959	9.3
123.00871	1.7
125.02462	5.0
126.02810	2.0
139.00375	1.9
140.01154	2.1
147.04547	24.0
149.41652	1.2
161.51773	1.1
164.07187	55.6
165.07404	2.0
169.01372	7.9
170.01797	1.4
186.07901	1.3
206.08235	100.0
207.08536	4.7
211.02361	1.1
246.29024	1.0
249.06082	4.8
371.09860	12.9
469.09653	1.8
470.10101	4.4
622.11432	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98842	0.9
63.50007	0.7
68.71190	0.7
70.23584	0.8
70.84131	1.4
73.50986	0.9
73.64619	0.8
75.00883	1.3
78.95911	0.9
102.95695	4.4
103.01506	95.4
202.37718	0.8
279.23361	1.7
350.76266	0.8
615.94635	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	623.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50955	1.5
58.03233	1.3
60.99312	2.1
65.00318	1.4
71.26828	2.1
88.98804	9.0
107.01367	1.4
111.47881	1.4
124.01620	2.2
125.02495	8.0
129.15413	1.4
137.02425	2.2
151.00374	4.5
163.00378	2.2
169.01393	6.2
178.99864	6.9
193.01268	1.7
193.05115	1.5
214.02718	6.3
215.03389	1.6
242.02196	5.5
243.02963	3.1
259.02475	5.9
270.01782	7.9
271.02496	40.3
272.02740	2.3
287.01990	23.7
316.02252	100.0
317.02768	11.0
317.60983	1.7
453.13791	1.7
512.69659	1.6
533.09412	92.2
534.09790	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	623.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.3
66.70622	0.3
69.16499	0.8
69.16927	1.9
73.22915	0.3
76.85277	0.5
100.31955	0.3
101.83966	0.4
107.01408	0.5
107.35430	0.3
108.02203	0.5
112.52099	0.3
117.03474	1.9
119.05042	3.2
119.16452	0.3
125.02444	0.5
135.00877	0.6
145.02971	4.4
148.01746	0.7
151.00348	2.0
161.02376	0.7
163.00389	0.5
163.04051	1.1
165.99661	0.3
169.01450	0.6
178.99973	0.3
187.03896	0.3
199.03969	1.0
200.95190	0.3
215.03534	1.0
216.04359	0.4
226.02728	1.1
227.03493	2.4
243.02982	7.1
244.03432	0.4
249.94847	0.3
254.02330	1.7
255.02991	17.0
256.03342	1.5
271.02490	45.3
272.02942	4.0
284.03165	0.5
285.04034	0.4
299.02002	13.9
299.05493	0.9
300.02759	100.0
301.03134	8.5
307.08395	0.5
315.05121	89.9
316.05435	7.7
323.07755	0.4
459.09387	2.0
462.08261	0.5
473.18048	0.5
477.10370	17.2
478.10861	1.9
608.11835	1.1
609.11566	0.4
623.14069	25.9
624.14215	4.4
624.30750	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	623.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.4
76.85253	0.5
106.52171	0.3
107.01410	0.9
108.02192	0.5
117.03503	1.7
119.05034	2.7
129.54050	0.3
135.00964	0.5
145.02974	3.5
148.01706	0.6
151.00371	2.5
156.30377	0.4
163.00345	0.6
163.03996	1.2
164.01111	0.6
169.01369	0.5
183.04443	0.4
199.04022	1.4
215.03438	0.8
226.02715	1.4
227.03499	2.6
243.03032	7.4
244.03662	0.8
254.02121	2.5
255.02995	20.2
256.03354	1.4
271.02512	46.1
272.02954	4.2
283.02368	0.4
284.03131	0.8
285.03903	0.6
299.02011	16.1
299.05145	0.6
300.02774	100.0
301.03137	8.5
314.04297	0.7
315.05133	95.5
316.05466	8.2
451.51730	0.4
459.09460	1.4
462.08380	0.6
473.17950	0.6
477.10437	17.6
478.10657	2.0
608.11664	1.3
623.14093	32.3
624.14252	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	623.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82635	0.5
61.98808	1.1
62.68977	0.5
93.03424	0.7
98.22161	2.9
119.05003	0.6
121.02177	0.7
121.02975	6.4
148.04022	1.6
149.04774	1.5
149.05942	0.8
158.03755	0.7
159.04465	1.7
174.03221	1.0
188.04861	0.7
189.05554	0.7
195.08144	0.7
197.05994	1.1
209.06065	1.0
211.07643	3.1
213.98137	0.6
221.06030	2.3
223.07591	2.3
224.04797	0.6
232.05315	0.6
237.05573	2.4
238.06250	1.3
239.07198	8.5
240.07515	0.6
248.04803	1.5
249.05557	3.4
250.06235	1.3
251.03397	1.8
252.03989	0.6
253.08636	1.1
263.07153	1.0
264.07785	0.6
265.05069	3.2
266.05753	2.3
267.06650	32.4
268.07318	6.9
269.07770	0.7
270.11353	3.4
279.06546	1.6
280.07239	2.3
281.08212	8.3
282.09021	32.2
283.09708	13.2
284.10117	0.8
293.04541	3.5
294.05197	1.1
295.09744	2.1
296.10590	14.0
297.11353	55.8
298.11694	5.0
307.06177	0.6
308.06702	1.1
309.07541	0.7
310.07162	2.1
311.08008	1.3
321.07700	0.8
323.08511	1.9
324.08594	1.0
325.09442	1.1
326.10336	2.4
338.10532	3.4
339.10849	0.6
352.08270	1.0
352.11905	3.4
402.13443	1.4
412.11609	0.8
430.12997	33.1
431.13354	5.6
444.14694	1.0
445.15384	17.1
446.15469	2.7
460.17697	100.0
461.18033	14.8
486.15744	6.3
487.15900	0.6
623.24054	50.2
624.24384	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	623.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
59.07731	1.3
61.98825	2.9
64.53313	1.1
64.61586	1.2
69.39710	1.5
69.40109	6.6
72.46779	1.1
78.74442	1.2
93.03410	1.4
98.21886	2.1
98.22520	2.7
111.97666	1.4
121.02993	7.2
121.17338	1.2
125.02454	2.7
147.04500	1.2
148.04086	1.4
152.15105	1.1
159.04552	2.4
169.01382	1.5
211.07668	3.3
221.06064	2.3
223.07513	1.3
237.05577	2.4
239.07127	7.6
248.04703	1.4
249.05537	2.2
251.03476	3.9
265.05084	2.7
267.06641	33.7
268.07379	6.3
270.11282	3.0
271.02692	1.7
279.06512	1.8
280.07431	2.4
281.08337	6.6
282.08997	28.8
283.09692	12.4
285.17453	1.4
293.04526	3.9
296.10556	15.9
297.11340	49.8
298.11703	5.1
300.02682	3.3
300.99792	1.5
301.03519	2.3
308.06775	1.5
310.07101	3.6
311.08133	1.4
322.07370	1.8
323.08655	2.0
324.08658	1.3
326.10324	3.6
338.10309	4.0
347.46741	1.5
352.11929	3.5
413.05466	1.1
426.52502	1.6
430.12958	38.4
431.13351	4.1
445.15408	15.2
446.15396	2.8
460.17694	100.0
461.17810	15.0
486.15356	5.1
623.13953	2.1
623.23816	41.9
624.24139	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	623.2403
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
50.12048	1.0
56.62312	1.0
61.98819	2.8
70.31899	0.9
71.28417	1.2
78.14856	1.0
78.95878	1.5
82.95425	10.3
86.32641	0.9
96.95994	1.0
99.36610	0.8
108.02196	3.4
109.02961	8.7
125.02468	5.8
138.86879	0.9
145.46361	0.9
146.03745	1.7
154.52541	0.8
158.03694	3.0
159.04526	9.7
162.05598	1.1
164.07124	1.7
169.01408	8.7
170.01706	1.2
173.06065	3.1
202.05107	3.1
210.78474	0.9
214.05086	17.8
215.05583	1.3
216.06679	3.6
237.05711	1.9
238.06335	1.7
239.07077	3.0
240.04369	1.4
244.75339	0.9
249.05647	1.5
250.06288	1.9
251.07011	1.6
252.04137	1.1
252.07913	1.3
263.07196	0.9
264.07819	1.2
265.05084	2.7
265.08777	1.1
266.05917	5.9
267.06650	18.2
268.07419	8.3
269.04697	1.2
280.07343	2.7
281.08197	13.8
282.08951	11.7
283.06586	1.9
283.09717	16.1
284.10062	2.1
295.09717	1.4
296.10556	1.6
297.11346	3.0
310.07169	2.2
320.05786	1.0
321.06516	1.3
322.07208	8.5
322.10846	6.2
324.08725	1.3
326.10318	3.2
327.57034	1.1
335.11441	3.9
336.08789	3.3
336.12427	13.2
337.12933	1.5
350.14084	1.1
377.11508	1.3
428.10965	1.8
428.15903	1.3
429.12061	2.3
430.13016	5.2
443.13718	3.4
444.14536	27.6
445.15112	12.0
446.15942	2.0
458.16159	8.0
460.17685	57.7
461.18054	9.2
499.18762	1.4
549.59601	1.0
587.27216	1.0
623.23962	100.0
624.24341	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13633	9.4
59.01368	26.9
67.90910	7.8
69.11898	8.1
69.63080	23.2
69.63470	20.4
71.01385	21.6
71.37137	7.6
82.29588	9.5
85.02957	12.1
88.98849	8.3
89.02436	12.2
93.88028	8.6
96.55690	8.5
98.21868	12.6
113.02433	9.4
114.26248	8.3
125.02463	56.8
133.64395	9.5
137.02399	18.6
139.04021	13.1
168.03049	13.5
169.01431	54.6
209.11768	15.8
244.55922	10.0
248.27365	9.4
338.15533	8.7
373.13016	10.8
419.17044	19.7
581.22443	100.0
582.22742	11.9
625.13678	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	625.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44107	0.5
51.31385	0.6
57.04451	0.6
63.63745	0.6
63.69346	0.6
69.06146	5.3
75.12553	0.8
78.27154	0.6
96.95980	0.7
116.63062	0.8
125.02451	1.8
149.02446	0.8
157.02966	0.7
159.04543	0.7
168.96877	0.6
169.01379	2.1
172.01601	1.6
185.02483	1.9
200.01155	2.0
201.01959	0.9
216.00621	2.4
217.01410	0.7
226.99930	1.1
227.90997	0.6
228.00664	2.2
229.01425	2.7
242.99382	1.2
244.00153	3.9
245.00854	0.9
257.00879	1.4
270.98849	0.9
271.99643	2.2
273.00201	0.9
282.98907	1.8
283.99536	1.9
298.98395	1.6
299.99139	95.2
300.99890	100.0
302.00229	6.2
365.38474	0.6
507.18066	0.7
625.10492	74.6
626.10852	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	625.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51833	0.8
67.03820	0.7
69.87272	0.6
85.25543	0.9
98.21818	2.3
104.69682	0.8
107.21033	0.7
125.02457	0.9
141.89644	0.7
166.28957	0.8
169.01387	1.1
174.79015	0.7
206.46750	0.7
216.00674	0.7
229.05672	1.1
231.02902	0.7
242.99303	2.2
244.00002	1.0
257.00787	0.9
270.98877	27.4
271.99310	1.4
283.99683	0.8
298.01535	0.8
298.95639	0.6
298.98340	34.4
299.99118	100.0
300.99677	12.5
312.99826	3.6
445.04376	0.8
462.04587	4.2
462.98660	1.3
463.05209	22.4
464.05554	1.8
566.76056	0.8
625.10480	90.3
626.10895	13.5
654.12390	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	625.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51833	0.8
67.03820	0.7
69.87272	0.6
85.25543	0.9
98.21818	2.3
104.69682	0.8
107.21033	0.7
125.02457	0.9
141.89644	0.7
166.28957	0.8
169.01387	1.1
174.79015	0.7
206.46750	0.7
216.00674	0.7
229.05672	1.1
231.02902	0.7
242.99303	2.2
244.00002	1.0
257.00787	0.9
270.98877	27.4
271.99310	1.4
283.99683	0.8
298.01535	0.8
298.95639	0.6
298.98340	34.4
299.99118	100.0
300.99677	12.5
312.99826	3.6
445.04376	0.8
462.04587	4.2
462.98660	1.3
463.05209	22.4
464.05554	1.8
566.76056	0.8
625.10480	90.3
626.10895	13.5
654.12390	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	625.1206
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
59.01366	0.4
63.02382	0.6
65.00316	1.7
70.30000	0.7
70.30406	0.7
71.01368	0.5
82.39300	0.3
83.01389	1.5
88.98799	0.8
91.01910	0.3
93.03454	0.4
107.01390	4.1
108.02165	1.3
109.02966	1.7
114.91003	0.3
121.02962	3.5
123.00894	0.5
125.02473	1.7
128.03494	0.4
133.02968	4.0
135.00935	0.9
135.04539	3.9
137.02492	0.4
143.04570	0.6
147.04555	0.4
148.01668	1.2
149.02390	0.4
151.00377	18.8
152.00719	0.4
161.02454	9.6
162.02809	0.5
163.00362	2.5
164.01155	0.8
169.01414	1.9
175.04076	0.4
178.99887	8.9
179.03409	2.2
183.04482	0.5
199.03955	0.8
201.05594	0.5
203.03537	0.7
211.03963	1.2
212.04819	0.4
213.01945	0.4
215.03479	0.7
216.04134	0.4
217.01369	0.4
226.02715	1.1
227.03477	2.7
229.05066	1.1
243.03003	8.6
244.03542	1.0
245.04524	1.0
254.02199	1.5
255.02992	22.7
256.03326	1.7
257.04620	0.5
271.02490	47.2
272.02972	4.7
273.03992	1.4
283.02411	1.8
297.04349	0.4
299.01956	1.2
300.02762	100.0
301.03506	61.2
301.07132	0.9
302.03912	4.5
323.07745	3.1
343.04572	0.5
439.10458	0.3
463.08850	77.2
463.68289	0.3
464.09186	7.9
482.08261	0.4
615.90222	0.4
625.11963	41.7
626.11926	6.4
626.20386	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	625.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20970	1.2
63.02396	2.4
65.00332	3.6
70.43212	1.1
77.86526	1.2
80.89957	1.2
83.01396	4.4
93.03507	1.4
98.21748	2.7
107.01392	9.1
109.02974	3.2
115.52137	1.2
121.02972	10.2
125.02456	5.9
135.04546	2.6
149.02553	1.7
151.00381	41.2
161.02449	1.8
163.00450	3.0
169.01459	6.4
178.99883	14.6
183.14034	1.4
193.05042	2.6
202.05331	1.2
211.04091	2.2
245.04524	1.5
255.02994	5.1
268.18689	1.3
269.04678	1.8
271.02502	4.7
273.03937	2.7
283.02609	2.3
300.02716	9.5
301.03558	100.0
302.03845	5.7
314.10309	3.4
463.08936	9.9
464.09805	1.4
590.52325	1.3
625.11969	12.7
625.21124	2.3
626.11414	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	626.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
59.56360	1.2
61.98824	2.2
65.00339	1.7
69.03436	2.6
71.01377	6.3
72.36104	1.3
83.01390	2.2
95.01406	2.6
97.02924	1.8
101.02436	3.1
107.01401	13.9
109.02972	2.4
111.00904	1.6
123.00896	14.9
123.04545	1.7
125.02460	74.4
126.02785	2.7
134.03709	2.9
134.61337	1.4
135.04567	10.3
137.02475	3.7
138.40771	1.3
139.00374	3.8
140.01151	3.0
141.01974	2.4
148.05315	21.3
151.00385	10.5
151.04018	1.7
153.01971	2.3
161.02463	1.4
165.01981	2.2
168.00656	3.4
169.01437	96.8
170.01743	1.9
176.03542	1.8
177.04231	1.7
178.05115	12.5
179.03468	1.6
183.03015	1.4
190.05144	4.7
193.05035	1.4
211.02489	1.9
241.03598	1.8
245.08034	1.8
286.08212	1.4
289.07199	3.7
297.10089	4.5
298.10797	5.4
300.02774	2.5
301.03519	1.7
312.12430	25.3
313.05682	67.6
314.05975	4.7
361.47479	1.5
446.16287	2.2
464.17087	1.7
465.12302	2.0
626.18793	100.0
627.09821	4.1
627.19000	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
59.56360	1.2
61.98824	2.2
65.00339	1.7
69.03436	2.6
71.01377	6.3
72.36104	1.3
83.01390	2.2
95.01406	2.6
97.02924	1.8
101.02436	3.1
107.01401	13.9
109.02972	2.4
111.00904	1.6
123.00896	14.9
123.04545	1.7
125.02460	74.4
126.02785	2.7
134.03709	2.9
134.61337	1.4
135.04567	10.3
137.02475	3.7
138.40771	1.3
139.00374	3.8
140.01151	3.0
141.01974	2.4
148.05315	21.3
151.00385	10.5
151.04018	1.7
153.01971	2.3
161.02463	1.4
165.01981	2.2
168.00656	3.4
169.01437	96.8
170.01743	1.9
176.03542	1.8
177.04231	1.7
178.05115	12.5
179.03468	1.6
183.03015	1.4
190.05144	4.7
193.05035	1.4
211.02489	1.9
241.03598	1.8
245.08034	1.8
286.08212	1.4
289.07199	3.7
297.10089	4.5
298.10797	5.4
300.02774	2.5
301.03519	1.7
312.12430	25.3
313.05682	67.6
314.05975	4.7
361.47479	1.5
446.16287	2.2
464.17087	1.7
465.12302	2.0
626.18793	100.0
627.09821	4.1
627.19000	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01377	2.4
60.99298	1.1
61.98824	2.1
65.71416	0.7
66.69910	0.6
67.01904	1.1
68.24197	0.6
69.03450	1.2
69.48476	3.8
71.01384	4.6
73.02276	0.6
73.20129	0.9
79.01881	0.9
82.41143	0.6
83.01406	1.2
85.02969	1.3
88.98821	6.2
93.02866	0.6
95.01418	2.1
97.02956	1.4
98.21716	0.8
101.02463	2.3
103.34983	0.7
107.01407	9.5
108.01723	0.7
109.02969	0.9
111.00879	1.8
113.02455	1.6
119.05064	0.9
123.00893	9.0
124.01694	1.5
125.02460	56.1
126.02807	1.9
133.05319	1.1
134.03770	0.9
135.04533	7.0
136.98820	1.1
137.02428	0.9
139.00339	3.5
140.01181	3.3
141.01944	0.8
142.06842	0.7
145.03041	1.1
148.05324	15.2
151.00392	9.6
153.01959	1.1
163.04070	0.8
168.00635	3.7
169.01440	69.8
170.01759	2.0
176.03600	1.1
178.05113	11.0
178.06551	1.2
178.99753	0.8
183.02957	1.2
190.05098	3.3
211.02432	1.5
211.85280	0.7
226.81584	0.8
241.03613	1.3
253.03673	1.1
262.91873	0.7
275.02051	0.8
297.10001	4.2
298.10794	2.1
300.99838	1.5
312.12415	12.5
313.05710	23.1
314.05975	1.1
327.07422	0.7
341.58490	0.8
385.06265	0.7
437.08163	0.8
495.22391	1.5
583.64587	0.8
624.71289	0.7
626.18811	100.0
627.19232	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
60.44315	0.4
65.00322	0.8
69.03453	0.7
70.90103	0.8
71.01380	0.6
75.04989	0.4
75.55849	0.4
81.68053	0.4
83.01395	0.8
85.02938	0.8
91.05545	0.9
96.95998	0.4
107.01429	2.1
107.05058	2.2
109.02954	0.9
113.02458	0.7
121.02964	1.2
123.00874	0.9
125.02464	7.4
128.03575	0.5
133.02975	1.3
134.03763	1.2
134.06149	0.5
135.04539	45.6
136.03969	0.8
136.04890	1.7
136.07697	3.2
139.00330	0.5
140.01161	0.5
147.04573	0.7
148.04260	0.6
148.05325	5.6
149.02448	0.4
151.00368	6.2
160.04039	0.5
161.02470	3.4
163.00414	1.3
168.00650	1.2
169.01454	9.0
178.05104	7.2
178.99869	2.8
190.05119	1.3
227.03586	1.1
229.52327	0.4
243.02916	2.1
255.02997	5.3
256.09805	0.9
271.02481	10.8
272.03192	0.6
298.10864	100.0
299.02051	1.0
299.11188	8.8
300.02771	17.9
301.00116	0.7
301.03571	13.3
325.05850	0.5
415.06735	1.2
442.15021	2.8
460.16116	7.7
461.16754	0.9
475.08786	4.5
567.07928	6.1
626.15179	0.7
626.26019	12.8
627.09955	20.1
627.25262	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	627.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.6
61.98833	1.8
63.02399	1.4
63.37310	0.9
65.00337	3.1
68.97145	4.0
68.97569	5.8
83.01379	1.1
85.02958	2.8
107.01406	7.1
108.02194	1.5
109.02959	3.2
111.00887	2.0
113.02467	3.0
119.01351	1.1
121.02947	4.8
123.00896	2.7
125.02467	13.3
135.00919	1.7
137.02379	0.9
139.00360	1.3
140.01114	1.6
148.01640	1.4
149.02431	2.8
151.00392	22.7
152.00819	0.9
163.00447	4.4
164.01144	2.2
165.19675	1.2
168.00613	1.5
169.01457	11.7
175.04008	1.5
176.57265	0.9
177.80377	0.9
178.08946	1.1
178.99910	12.1
179.03537	1.2
187.04170	0.9
193.01410	2.3
199.04111	1.7
201.05652	1.0
202.02769	1.0
203.38350	0.9
204.11055	0.9
216.04292	1.1
226.02541	1.5
227.03598	5.5
243.02977	12.9
245.04483	2.1
254.02184	2.5
255.03009	30.4
255.05721	1.8
256.03726	2.0
271.02493	61.6
272.03107	5.9
273.04001	2.5
283.02396	2.2
299.02026	3.3
300.02774	97.6
301.03516	53.6
302.03937	3.4
315.05084	3.9
325.05826	0.9
433.07779	1.7
475.08850	49.8
476.09470	5.0
627.09912	100.0
628.10211	13.8
659.73297	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	627.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
61.98809	0.7
63.02410	2.8
65.00325	4.8
67.01891	0.7
68.99816	0.9
69.03446	0.8
71.01373	0.6
71.26649	0.8
77.59714	0.6
80.21003	0.5
81.03442	0.7
83.01395	4.3
85.02940	2.1
88.98810	2.7
91.01907	0.7
93.03474	1.3
95.01395	1.3
97.02959	1.3
107.00736	0.9
107.01405	11.6
108.02225	1.2
109.02950	5.3
111.00903	1.0
113.02464	3.1
119.01342	0.8
121.02953	7.8
123.00885	5.0
124.01680	0.7
124.45121	0.5
125.02458	52.1
126.02792	1.8
127.00453	0.6
135.04488	1.0
136.98825	0.7
137.02466	1.1
139.00386	1.8
139.73741	0.5
140.01140	1.5
145.02898	0.7
146.70763	0.5
147.04520	0.7
149.02444	1.9
151.00383	38.7
152.00711	1.5
159.04543	1.0
161.02432	0.9
163.00392	7.9
163.03967	1.2
164.01131	0.8
165.01924	0.5
168.00656	1.6
169.01440	64.9
170.01784	1.4
171.04553	0.6
173.06029	0.9
175.04031	0.8
177.03336	0.6
177.05653	0.7
178.99870	17.8
180.00226	0.9
183.04469	1.6
185.06050	0.8
187.03999	1.4
190.99695	0.5
192.00620	1.2
193.01334	1.2
199.04036	1.3
201.05566	1.6
203.03433	1.0
211.04039	3.0
212.04755	0.6
215.03441	0.6
222.25868	0.5
227.03548	3.5
228.03894	0.8
229.05031	2.1
239.03500	1.0
243.02965	4.6
245.04546	4.0
254.02170	1.1
255.03003	16.1
256.03595	1.9
257.04507	0.9
265.03571	2.1
267.05191	1.0
271.02512	24.1
272.02975	2.2
273.03976	2.9
275.96939	0.6
283.02417	3.3
299.01990	5.4
300.02774	37.1
301.03549	100.0
302.03903	7.0
325.05618	4.5
342.02603	0.7
397.05701	2.0
415.06674	3.4
475.08859	8.3
476.09070	1.2
567.07788	16.2
568.08051	2.5
627.09930	60.9
628.10437	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	627.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35425	0.7
58.56903	0.9
59.01374	2.5
65.00314	2.1
69.03456	0.8
72.99310	0.9
83.01397	1.4
85.02969	2.5
95.01428	1.0
98.22166	6.3
107.01395	3.7
108.02244	1.2
109.02991	1.8
111.00909	1.5
113.02464	2.2
121.02975	2.9
123.00922	5.2
124.01632	0.7
125.02457	14.9
135.00984	1.1
135.04539	11.2
136.04871	2.2
136.98828	1.8
139.00389	1.7
140.01189	1.6
147.04536	0.8
148.01680	1.6
148.05360	1.2
149.02370	1.1
149.58354	0.8
151.00372	14.9
161.02428	1.4
163.00429	3.3
164.01176	1.5
166.99809	1.0
168.00647	1.9
169.01442	15.2
178.05106	2.2
178.99864	7.2
191.60123	0.7
193.01358	1.1
199.04025	0.9
201.05704	0.8
211.04176	1.4
226.02884	1.0
227.03496	3.3
230.44662	0.8
242.02179	0.9
243.03003	9.0
244.03387	1.1
245.04594	1.1
254.02222	2.6
255.02989	22.2
256.03329	1.0
265.03564	1.6
271.02490	50.3
272.03076	5.9
298.10852	15.3
299.02023	4.8
299.11203	11.1
300.02780	100.0
301.03485	29.8
302.03973	1.3
415.06625	7.0
461.16446	1.5
475.08835	21.0
476.09070	2.4
567.07861	22.4
568.08362	3.7
627.09973	70.1
627.24915	4.1
628.10248	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	627.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
65.94815	0.8
69.12170	4.4
69.12595	3.3
70.55992	0.8
71.01387	19.2
72.99333	1.1
74.55788	0.8
85.02973	1.3
89.02466	0.9
95.01399	2.0
97.02946	1.0
101.02478	0.9
107.01405	7.5
111.00921	1.9
113.02487	1.9
115.00391	25.2
121.02964	2.4
123.00912	13.1
124.01707	2.3
125.02464	49.0
126.02824	0.9
127.62283	0.7
133.01453	22.3
138.03244	3.1
139.00420	3.3
140.01169	2.5
143.54266	1.0
151.00383	6.1
153.05609	3.7
156.06729	2.8
157.06995	1.1
166.99905	8.4
168.00685	5.6
169.01457	68.8
170.01776	2.4
182.02248	26.0
183.02991	5.1
197.04576	32.1
198.04892	1.2
211.02625	2.1
214.80103	0.8
217.44539	0.8
241.03563	2.0
282.12354	0.9
313.05688	69.0
314.06039	2.7
327.07318	0.9
381.08163	0.9
467.11984	4.3
468.12589	0.9
511.10989	100.0
512.11273	10.6
564.88684	0.9
627.11951	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	627.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59921	0.5
57.73130	0.4
65.00307	0.6
69.16866	2.6
72.95768	0.4
76.85207	0.6
85.59927	0.4
91.01852	1.1
107.01373	0.7
108.02184	1.0
109.02901	0.6
111.09723	0.5
123.04533	3.0
125.02456	0.7
136.01633	0.4
137.02396	0.6
147.04561	0.5
148.01656	1.0
151.00397	2.9
151.03984	0.5
152.01170	0.7
153.01927	0.6
160.01636	0.4
163.00313	0.4
167.03474	2.2
169.01402	0.6
177.05632	0.5
193.05081	0.5
199.03973	1.4
203.03564	0.5
209.04504	0.7
211.03905	0.5
215.03532	0.8
226.02669	0.6
227.03503	2.3
243.02975	7.4
244.03442	0.5
254.02348	1.9
255.03000	17.0
256.03442	0.9
270.01740	0.5
271.02499	44.6
272.02942	4.3
297.06186	1.4
299.02011	14.9
300.02777	98.8
301.03174	7.8
312.12350	1.2
313.12811	0.5
314.04416	1.2
315.05130	100.0
316.05505	8.5
329.06812	1.5
459.09372	2.4
475.08920	1.3
475.18777	0.6
477.10352	2.8
478.11041	0.4
545.06262	0.5
612.11218	1.5
627.13672	28.6
628.14154	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	627.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
59.40952	0.7
59.80063	0.6
61.67200	0.6
67.01895	0.8
68.99828	1.4
69.00153	6.9
69.03449	1.2
71.01387	4.2
73.02962	0.8
73.23899	0.8
79.01889	0.9
81.03477	0.7
81.99662	0.6
83.01411	0.8
85.02949	1.3
95.01408	1.8
101.02457	2.1
107.01406	11.5
109.33820	0.7
111.00898	2.0
113.02453	1.6
123.00899	10.2
124.01714	1.0
125.02457	62.4
126.02807	1.7
135.04556	1.9
136.98828	0.9
137.02452	2.0
139.00397	3.7
139.04010	0.9
140.01183	1.9
141.01921	1.4
149.02467	0.9
151.00394	8.9
153.02011	0.9
161.02467	1.2
168.00659	2.6
169.01440	86.2
170.01811	2.5
179.03450	1.0
183.03017	1.8
183.04494	1.0
195.06602	1.6
211.02451	2.6
211.04066	2.3
213.05594	1.0
226.02650	0.9
227.03444	2.6
237.78276	0.7
241.05190	15.4
242.05301	1.1
253.03563	1.3
255.02998	32.0
256.03436	2.7
269.04578	5.9
270.05362	16.4
271.05173	0.7
283.02454	1.3
284.03210	3.8
291.37610	0.7
298.04831	17.8
299.05469	6.6
313.05490	76.9
314.06268	3.3
314.10571	2.0
327.07214	2.9
437.11063	0.8
537.52686	0.8
627.13593	100.0
628.13928	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.2
59.01393	27.6
61.98834	10.7
71.01414	21.9
71.26718	6.9
75.00874	14.2
75.94753	5.1
76.37235	4.1
83.01399	7.4
85.02968	4.8
89.02453	12.8
101.02458	12.3
107.01322	4.9
107.10178	4.2
109.02968	11.6
111.00854	5.5
113.02495	5.8
119.03544	6.2
121.02930	6.0
123.00928	10.7
123.04549	8.9
124.01645	4.5
125.02468	63.6
135.04536	32.0
137.02457	8.0
138.03214	11.5
139.00371	6.0
140.01187	5.4
149.02487	6.9
151.00423	4.7
151.04034	7.1
152.00119	4.9
152.07204	14.4
153.01984	13.9
153.05646	5.3
161.02460	16.8
165.02054	5.4
165.05550	7.3
169.01450	57.1
171.04495	5.1
187.04013	5.9
205.05045	8.3
271.04648	5.8
289.07251	6.2
313.05627	26.1
314.10403	49.5
328.93088	4.8
359.11526	11.4
371.11221	7.1
373.12973	5.7
404.14490	7.0
419.17114	16.4
476.15375	8.6
541.09814	10.7
581.22516	100.0
582.22821	15.8
627.08698	12.6
627.17004	7.8
628.17084	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.2
59.01393	27.6
61.98834	10.7
71.01414	21.9
71.26718	6.9
75.00874	14.2
75.94753	5.1
76.37235	4.1
83.01399	7.4
85.02968	4.8
89.02453	12.8
101.02458	12.3
107.01322	4.9
107.10178	4.2
109.02968	11.6
111.00854	5.5
113.02495	5.8
119.03544	6.2
121.02930	6.0
123.00928	10.7
123.04549	8.9
124.01645	4.5
125.02468	63.6
135.04536	32.0
137.02457	8.0
138.03214	11.5
139.00371	6.0
140.01187	5.4
149.02487	6.9
151.00423	4.7
151.04034	7.1
152.00119	4.9
152.07204	14.4
153.01984	13.9
153.05646	5.3
161.02460	16.8
165.02054	5.4
165.05550	7.3
169.01450	57.1
171.04495	5.1
187.04013	5.9
205.05045	8.3
271.04648	5.8
289.07251	6.2
313.05627	26.1
314.10403	49.5
328.93088	4.8
359.11526	11.4
371.11221	7.1
373.12973	5.7
404.14490	7.0
419.17114	16.4
476.15375	8.6
541.09814	10.7
581.22516	100.0
582.22821	15.8
627.08698	12.6
627.17004	7.8
628.17084	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.8
65.78942	1.0
66.38108	1.1
68.99449	2.4
68.99845	10.1
80.05070	3.3
87.19450	1.1
96.38065	1.0
106.06630	2.3
107.03823	2.5
108.08217	3.9
120.08202	16.8
121.05353	4.6
122.06132	32.5
125.02489	1.4
132.04572	3.1
134.06151	3.6
136.07693	100.0
137.08041	2.5
153.04327	2.2
164.07176	2.1
174.05562	1.6
190.05051	2.5
200.07303	1.6
211.12555	1.2
223.08806	9.4
224.09521	1.7
225.10345	1.5
229.13519	4.9
231.30505	1.2
233.10829	1.5
235.12321	2.3
237.10347	6.0
238.11064	4.9
238.86421	1.2
239.11917	5.1
249.06650	1.7
249.10196	1.3
251.08228	1.7
251.11946	2.8
252.12480	1.9
262.11337	1.5
263.08224	4.2
263.12067	1.1
264.09006	5.5
265.09857	5.9
271.10928	3.4
277.09653	2.1
278.10547	3.5
279.11349	24.6
280.12079	4.5
281.13004	2.8
291.11435	4.7
292.12030	2.2
293.12732	1.8
297.12448	1.2
307.11011	2.8
309.12540	2.8
311.14084	1.4
323.10468	2.7
324.11148	2.1
325.12100	1.5
339.13629	2.0
360.16986	1.5
372.17206	2.5
384.21039	1.8
385.17636	1.3
386.18961	9.3
387.19376	3.8
400.20673	2.2
401.21078	3.0
414.18335	1.6
428.19815	16.7
429.20352	3.6
432.19464	4.4
433.20065	1.9
445.20465	2.1
472.18826	20.7
473.19537	23.6
474.19519	3.1
504.21445	19.4
505.21951	5.2
537.18805	1.2
551.26611	29.2
552.26825	4.9
577.24634	1.8
595.25623	83.4
596.26044	19.5
627.28241	17.6
628.28436	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	629.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03457	1.6
59.01385	7.5
65.00315	0.7
67.01875	0.8
68.99821	0.7
69.03439	0.7
71.01387	18.3
72.99320	2.0
73.02937	1.1
74.36585	0.3
75.00864	0.5
79.01902	0.7
83.01389	1.0
85.02958	14.9
86.03294	0.4
87.00880	4.2
89.02481	0.3
93.03461	0.6
93.29363	0.3
95.00828	0.5
95.01391	5.1
97.02966	0.4
98.21613	0.6
99.00883	3.5
103.00380	4.1
104.90472	0.3
107.01402	4.0
108.25769	0.3
109.02926	0.6
111.00893	2.4
113.02462	18.7
114.02802	0.4
114.58569	0.3
115.00390	3.9
121.02991	0.7
123.00896	8.2
124.01681	1.1
125.02460	21.7
126.02792	0.6
126.28503	0.3
129.01929	1.1
136.98819	0.7
137.02432	1.1
139.00398	3.7
139.04016	0.7
140.01154	1.1
141.01958	1.2
149.02437	0.6
151.00388	9.2
151.03989	0.5
152.00674	0.3
153.01947	0.6
155.03545	0.5
157.01454	1.6
163.00363	0.7
165.01953	1.9
166.99820	0.6
167.03520	1.0
168.00659	3.1
169.01437	26.2
170.01767	1.0
175.02481	8.5
175.03978	0.6
177.02045	0.3
178.99857	0.9
179.03506	1.4
181.01479	0.5
183.04626	0.3
193.01434	1.3
193.03445	0.4
203.03603	0.4
205.01492	0.3
207.03011	1.6
209.00909	2.8
211.02458	3.0
211.04167	0.4
223.02408	0.5
229.75374	0.4
235.02521	0.9
239.01906	0.5
243.02875	0.5
251.02087	0.4
255.02904	1.4
265.03549	0.5
269.03036	0.6
271.02496	1.9
272.02606	0.3
283.04587	0.9
300.02701	3.1
301.03531	6.0
302.03998	0.5
327.03589	100.0
328.03912	6.9
406.20352	0.3
459.05667	4.1
460.05826	0.7
477.06741	1.3
531.11975	0.3
629.07892	5.4
630.08344	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	629.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91841	1.2
59.01379	1.6
67.01878	1.4
69.03452	1.8
69.06268	8.3
69.06695	4.6
71.01382	1.9
72.99120	1.4
88.98818	5.1
93.03480	10.5
95.01403	5.2
97.02998	2.8
98.21730	2.4
107.01427	6.3
120.01254	1.4
123.00909	17.6
124.01703	2.2
125.02460	78.9
126.02812	2.0
137.02454	22.7
139.00385	3.7
140.01173	1.7
141.01974	1.6
151.00345	3.4
166.99840	9.2
168.00664	3.6
169.01440	100.0
170.01772	3.2
180.90291	1.5
201.05612	2.5
211.02556	4.3
216.00636	1.5
245.04492	2.0
270.98840	5.5
271.04623	6.6
271.99271	1.5
289.03543	7.7
298.98416	9.3
299.99149	91.1
300.99634	8.6
313.05734	10.4
314.00586	8.4
315.01495	85.9
316.01700	8.3
477.06805	71.5
478.07187	6.8
501.96399	1.4
629.07825	41.9
629.31787	1.7
630.07935	7.2
630.18195	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	629.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22641	0.6
52.61445	0.6
63.13837	0.6
67.01891	1.1
69.03467	2.5
74.75252	0.6
79.01894	2.4
88.09374	0.6
93.03468	15.2
95.01399	6.5
97.02959	1.1
98.22519	2.2
107.01396	2.5
111.00906	0.9
119.81838	0.6
123.00896	18.3
124.01652	2.2
124.41670	0.7
125.02459	71.5
126.02840	2.2
137.02466	26.3
139.00381	4.0
140.01173	2.0
141.01959	0.9
151.00389	1.9
153.74101	0.7
166.99881	12.1
168.00655	3.3
169.01451	100.0
170.01791	3.4
201.05566	3.1
245.04453	1.5
263.05643	0.8
271.56030	0.8
289.03513	10.5
290.04108	1.2
291.04993	0.8
307.04739	0.8
477.06857	8.5
478.07159	1.8
614.84723	0.7
629.07837	33.6
630.08386	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	629.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63248	3.0
59.01391	2.9
60.52619	2.2
61.36007	2.0
69.98832	5.6
69.99215	5.2
79.24195	2.2
99.73814	2.2
111.04493	2.1
111.12490	2.2
130.34822	2.1
147.28552	2.0
158.00180	2.6
185.99673	2.9
199.09805	6.3
211.13438	5.6
214.99884	3.0
216.00720	5.6
241.98599	7.6
242.99234	3.1
244.00172	3.2
254.99319	6.9
269.98026	10.7
270.98895	28.2
271.99612	4.1
284.96948	3.4
297.97577	10.3
298.98404	36.7
299.98962	13.0
325.97165	4.8
326.97842	58.1
327.98413	11.2
354.97321	30.6
355.98111	49.6
356.98816	2.9
411.64606	2.6
463.86957	2.6
473.01315	2.4
481.32877	2.3
545.10004	2.2
629.07922	100.0
630.08582	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	629.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
60.99297	1.0
69.03438	1.5
71.01376	2.0
71.26199	1.8
71.26568	1.1
85.02954	2.1
88.98804	3.1
89.02478	1.2
96.96064	1.4
103.79558	1.0
107.01416	3.0
109.02961	1.6
123.00845	1.8
125.02477	16.3
139.00392	1.0
145.02942	1.4
151.00366	4.1
161.02466	1.2
168.00615	1.0
169.01466	20.1
178.99890	1.6
193.01448	1.8
203.03357	1.3
216.84793	1.1
217.01344	1.8
227.03360	1.2
243.02968	4.3
255.03004	10.5
257.00967	1.7
271.02505	19.0
272.02924	1.8
273.00443	2.3
298.98453	1.4
299.01938	4.0
300.02768	65.0
300.99936	4.7
301.03235	5.0
302.00534	2.2
313.05719	11.3
315.01605	1.9
315.05109	41.3
316.05377	2.5
323.05521	1.3
342.00159	1.3
343.00858	3.2
407.03973	2.9
407.09290	1.5
423.03265	1.9
424.04184	1.5
431.22922	5.8
438.05832	2.9
448.04514	2.4
451.03156	6.0
452.03815	2.4
465.06866	7.3
466.05469	30.2
467.05975	6.8
477.10367	23.3
478.10971	2.5
629.11481	100.0
630.11719	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29434	0.4
70.30939	1.3
71.01330	0.4
83.66807	0.4
113.69583	0.4
123.00869	0.6
125.02456	1.2
151.00433	0.8
160.86697	0.4
163.00406	2.2
165.92575	0.4
169.01424	1.8
174.03157	0.4
190.99915	0.5
198.03239	0.5
216.04318	0.7
226.02740	5.6
227.03450	2.2
228.04405	0.4
237.18227	0.4
243.03004	13.4
244.03447	0.7
249.69380	0.4
254.02234	6.3
255.02977	4.1
256.03278	0.6
261.57242	0.4
271.02502	59.0
272.02960	6.3
287.68982	0.4
299.01724	0.5
300.02777	60.4
301.03104	5.6
313.05685	5.0
315.05124	100.0
316.05466	8.5
356.65027	0.4
379.58359	0.5
477.10150	0.4
629.11493	24.0
630.11676	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	629.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72536	0.3
69.64876	1.1
69.65289	0.5
83.03246	0.3
107.01418	0.8
108.02216	0.7
125.02454	2.4
135.00870	0.4
148.01755	0.8
151.00446	1.4
163.00412	0.4
164.01181	0.5
169.01497	2.5
178.99886	0.4
199.04028	0.6
215.03580	0.4
215.38640	0.3
216.04300	0.5
216.31023	0.3
226.02800	0.8
227.03494	1.3
243.02991	5.7
244.03554	0.4
245.21935	0.3
254.02208	1.4
255.03009	17.4
256.03314	1.5
271.02499	36.0
272.02939	3.6
299.02011	4.9
300.02768	100.0
301.03125	6.8
313.05606	0.8
315.05127	86.1
316.05441	6.3
462.08069	0.9
477.10431	43.2
478.10715	5.5
629.11359	11.7
630.11902	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	629.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67640	0.7
69.03452	1.3
69.24065	5.9
71.01371	2.2
83.01371	1.1
85.02956	0.8
85.08717	0.7
95.01402	0.9
98.21824	1.5
107.01408	7.5
117.04688	0.7
117.28471	0.8
123.00888	6.2
124.01691	1.5
125.02458	35.0
126.02781	1.2
129.61925	0.7
139.00349	2.2
140.01163	1.5
151.00381	7.4
153.40656	0.8
163.00397	1.8
168.00659	2.8
169.01456	32.8
174.90063	0.7
211.02533	1.4
226.02719	3.5
226.92416	0.8
227.03534	2.4
243.03009	7.7
244.03326	0.7
254.02240	3.6
255.02956	5.0
271.02502	43.7
272.02988	3.6
285.04218	1.5
299.01981	10.7
300.02774	35.8
301.03268	4.3
313.05725	12.6
315.05130	20.1
316.05493	1.7
622.58472	0.8
629.11536	100.0
630.11816	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	629.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65184	0.3
59.01367	0.8
61.98822	0.6
65.00330	0.4
71.01386	2.4
71.27688	0.7
73.02958	0.6
77.80888	0.4
81.03449	0.4
82.90253	0.4
83.01384	0.9
95.01372	0.7
97.02926	0.7
101.02448	0.7
101.23039	0.4
107.01415	4.5
108.02176	1.2
109.02940	0.6
111.00889	0.6
123.00881	4.4
124.01688	0.6
125.02459	26.8
126.02771	0.7
135.00839	0.5
135.04524	0.5
136.98790	0.6
137.02399	0.6
139.00362	1.4
140.01178	1.0
141.01897	0.5
148.01657	0.5
151.00380	5.2
153.01917	0.4
163.00368	0.8
165.01932	0.3
166.99876	0.4
167.03406	0.5
168.00656	1.6
169.01445	35.7
170.01727	1.5
173.30301	0.3
178.99879	0.6
195.19038	0.4
209.11774	0.4
210.68452	0.4
211.02446	1.0
216.04323	0.6
226.02827	0.7
227.03561	1.0
230.68843	0.4
238.11023	0.4
241.03468	0.4
243.03009	5.5
244.03578	0.5
254.02211	1.8
255.03001	14.6
256.03372	1.0
260.24573	0.4
264.77557	0.4
271.02499	38.6
272.02985	3.1
282.78769	0.4
299.02072	3.0
300.02768	100.0
300.99979	0.3
301.03220	8.9
313.05692	36.0
314.06055	2.7
315.05130	56.0
316.05441	3.5
327.90619	0.4
332.17545	0.4
477.10471	4.9
629.11517	76.5
630.11768	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	629.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94522	0.6
59.01371	1.0
61.98836	1.1
67.01888	1.1
69.03464	1.3
69.21873	3.3
69.22303	1.7
71.01389	1.8
74.02507	0.7
75.53345	0.7
79.01886	1.4
79.05095	0.6
81.03458	1.2
81.25962	0.6
83.01421	0.8
85.02953	1.5
87.00887	1.1
95.01409	3.1
97.02968	3.0
101.02474	1.6
103.55924	0.8
107.00659	0.7
107.01398	13.7
111.00888	3.6
113.02494	1.9
123.00897	10.9
124.01677	3.0
125.02461	69.1
126.02823	2.1
127.00423	0.9
136.98811	1.3
139.00423	6.0
140.01196	4.2
141.01944	1.7
147.80058	0.7
148.05341	7.0
151.00391	6.5
163.07607	3.3
165.43939	0.7
166.11363	0.7
166.99872	2.3
168.00674	6.6
169.01442	74.2
170.01802	2.8
175.04256	0.6
183.03030	1.1
191.03432	0.9
193.01474	0.8
193.05061	0.8
209.11932	1.2
212.17586	0.7
223.02492	0.9
237.04085	1.6
282.91595	0.7
295.04593	1.2
297.06293	1.4
313.05667	10.2
459.13342	1.0
465.06781	1.5
472.84003	0.8
477.14087	23.5
478.14285	1.5
629.15155	100.0
630.15454	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	629.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58646	1.8
57.03452	16.5
61.98835	4.1
65.03963	3.7
65.87165	1.6
69.03458	9.1
69.51572	9.2
71.01388	10.3
72.15774	1.7
81.03461	94.1
82.95416	1.6
83.01396	2.8
93.03472	1.6
95.05031	7.8
97.02962	8.5
99.04545	2.0
107.01405	2.1
107.05041	13.2
109.02949	2.3
125.02460	100.0
125.06086	2.4
126.02830	2.1
133.03023	1.9
151.04016	18.7
151.07561	1.8
158.80969	1.8
169.01483	8.9
177.05595	7.9
203.07211	2.4
220.25470	1.9
221.19099	1.7
239.20184	2.2
241.07301	2.0
255.02948	2.2
283.19336	2.4
285.04031	3.2
299.22296	75.7
300.22659	5.9
325.23831	25.4
326.24457	2.7
327.21786	4.0
329.12543	5.7
335.22345	3.2
351.25476	5.2
353.23135	8.7
361.23959	4.2
371.24387	3.0
379.24933	5.6
389.16235	2.6
397.25797	3.4
405.26434	2.1
415.26978	4.3
431.27780	6.4
441.28787	3.6
449.29352	2.8
459.29657	8.6
467.30167	5.1
485.31277	13.5
503.32330	30.6
504.32483	3.8
567.35797	3.1
585.36627	4.2
611.34302	6.3
614.48517	2.0
629.15167	2.9
629.35535	27.9
630.35535	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	631.058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56938	1.8
56.88226	2.0
58.34175	2.0
65.00325	1.8
67.01881	5.1
79.01923	2.4
81.46336	2.0
85.02940	2.3
86.87290	2.1
87.07216	2.0
95.01388	23.0
98.22562	3.0
105.03457	2.7
107.01398	7.2
109.02993	2.6
116.24325	1.9
117.03468	8.5
119.05045	4.5
121.02923	2.3
123.00903	53.5
125.02461	22.6
125.72723	1.8
129.03506	4.7
133.02977	5.9
135.04523	3.0
137.02484	3.0
139.00334	4.3
141.01985	3.1
143.01372	2.7
145.03018	16.0
147.04507	11.8
157.02948	11.9
159.00916	3.3
161.02463	13.7
163.00397	2.8
163.04028	7.1
165.01970	3.5
166.99875	33.5
169.01433	19.0
171.00876	4.3
172.01613	3.6
173.02448	18.1
173.09747	1.9
174.03151	2.6
175.04037	15.5
177.01956	3.0
179.03416	2.5
185.02422	5.7
187.00493	2.4
188.01158	2.4
189.01978	9.4
190.02663	3.3
190.99890	3.0
191.03517	28.0
199.00389	5.2
200.01106	3.3
201.01961	26.0
203.03572	15.7
209.00957	6.8
214.02919	2.5
216.00667	3.3
217.01427	19.9
219.02995	13.2
226.99873	6.4
228.00615	3.7
229.01434	29.4
230.02133	3.7
231.03032	11.4
235.02534	4.5
242.99402	3.7
243.02940	2.4
245.00941	13.6
247.02530	50.7
257.01056	4.3
261.00461	3.1
263.02005	13.7
270.98911	8.5
273.00421	34.2
274.00760	2.5
275.02039	12.2
291.01547	14.2
298.98404	17.5
299.98972	5.3
300.99979	23.4
316.99283	3.6
335.00644	5.7
399.03546	4.5
401.01474	2.4
403.02832	3.5
417.04752	2.9
443.02582	4.6
445.04355	5.6
461.03378	4.7
466.17349	2.0
479.05078	2.4
603.06415	6.6
613.04779	100.0
614.05200	20.2
631.06079	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	631.058
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73520	2.1
67.01888	2.1
83.01421	2.3
95.01395	23.3
98.22533	6.1
107.01415	9.1
117.03442	6.3
119.05019	4.5
123.00900	52.5
125.02472	22.0
129.03500	5.6
131.01379	2.2
132.02203	2.7
133.02945	4.7
137.02415	5.0
139.00369	7.1
141.01955	3.0
141.32295	2.4
145.02975	18.2
147.04530	12.9
157.02985	15.1
159.00896	2.3
161.02473	9.9
163.00395	8.2
163.04004	13.3
165.01971	4.9
166.99876	26.2
169.01440	22.0
171.00848	5.7
173.02429	19.8
174.03096	3.3
175.04010	16.4
177.01952	5.9
185.02505	3.1
188.00998	2.5
189.01939	9.9
190.02538	2.8
190.99850	4.3
191.03500	30.4
192.03807	3.4
193.01265	2.6
199.00392	5.7
200.01131	3.4
201.01956	30.6
202.02388	2.8
203.03508	16.9
205.01505	4.6
209.00890	8.3
213.02054	3.6
217.01402	18.0
219.03046	19.4
221.00941	3.2
226.99860	10.1
229.01408	34.3
230.02083	8.1
231.02933	14.3
235.02437	7.7
245.00964	15.4
247.02475	68.2
248.02762	4.5
257.00998	4.7
261.00488	3.3
263.01993	18.1
270.98868	6.9
273.00449	40.4
274.00775	4.7
275.02069	14.4
291.01447	22.9
298.98395	19.3
299.99042	5.4
300.99908	25.9
316.99463	3.1
335.00311	4.8
389.05112	3.0
399.03546	2.6
403.03036	4.3
417.04605	5.5
443.03140	3.7
445.04285	4.9
461.03482	3.3
587.07153	4.1
603.06403	5.7
613.04694	100.0
614.05438	15.0
631.05438	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	631.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	5.2
70.81969	4.4
70.82300	3.1
74.58339	2.0
78.39307	2.1
79.01877	5.3
87.84148	2.4
91.05524	2.2
93.03434	3.4
95.01405	31.1
101.11073	2.3
102.78037	2.2
102.95451	2.3
105.03480	4.0
107.01398	9.1
109.02993	2.7
109.06030	2.3
117.03485	9.1
119.05014	9.0
123.00906	61.0
125.02477	29.5
129.03461	6.3
133.02968	7.0
135.04518	6.1
137.02432	5.7
139.00403	7.2
141.01927	3.1
145.02992	29.3
147.04575	14.1
149.02507	4.0
157.02975	17.8
159.00920	3.8
159.04507	3.1
161.02449	19.1
163.00397	9.9
163.04004	17.9
165.01923	5.0
166.99864	23.8
169.01424	24.9
171.00893	8.9
171.09174	2.4
173.02451	27.0
175.04021	20.4
177.01912	11.3
179.03555	3.4
185.02425	6.9
189.01971	13.8
190.02615	5.0
190.99866	5.9
191.03517	39.8
199.00409	8.2
200.01109	8.6
201.01971	46.5
203.03523	23.9
209.00899	11.2
213.02065	3.7
217.01395	17.2
219.03056	23.3
226.99916	14.3
228.00548	2.9
229.01445	43.2
230.02016	8.6
231.03056	20.0
235.02490	8.7
242.99425	5.7
243.03223	2.6
245.00914	20.2
246.01524	2.6
247.02492	72.7
248.02808	6.1
257.00928	8.0
263.02023	22.2
270.98895	11.0
271.99490	4.0
273.00455	45.6
274.00986	2.8
275.02026	14.1
291.01550	17.0
298.98361	23.4
299.98990	7.2
300.99973	35.8
316.99493	4.7
335.00629	6.3
399.03952	4.4
401.01422	4.9
403.03323	3.3
417.04636	6.3
445.04077	3.9
461.03677	2.8
587.06366	3.4
603.06049	7.1
613.04755	100.0
614.05286	18.5
631.05750	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	631.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48745	2.0
55.61892	2.5
67.01906	5.3
69.17870	14.7
69.18281	5.0
79.01912	3.3
95.01402	27.0
107.01410	6.9
117.03516	6.8
119.05083	3.7
123.00905	51.0
124.01237	2.4
125.02457	23.4
129.03473	4.1
131.63712	2.1
132.02144	2.5
133.02997	4.2
135.04570	3.5
137.02440	4.4
139.00407	7.1
141.01921	2.2
145.02951	16.1
147.04535	11.0
149.02434	3.3
157.02914	13.5
159.04462	3.0
161.02498	14.6
163.00430	6.3
163.04042	13.7
165.01901	3.8
166.99861	29.4
168.00334	2.6
169.01468	16.6
171.00922	5.9
173.02466	20.4
174.03134	3.3
175.03998	17.0
177.01909	5.5
179.03436	3.1
185.02454	5.0
187.03961	2.6
189.01997	10.8
190.02698	3.7
190.99911	3.6
191.03513	26.8
193.01419	2.7
199.00388	3.4
200.01210	4.2
201.01987	25.2
202.02267	2.4
203.03528	13.6
205.01436	4.9
209.00958	6.7
217.01399	16.9
219.03014	15.4
226.99916	9.0
229.01453	32.0
230.02057	4.8
231.03024	10.6
235.02441	5.4
242.99339	2.9
245.00914	16.0
247.02499	53.0
247.60054	2.3
248.02852	6.0
254.99367	3.7
259.99658	2.7
261.00363	2.5
262.28152	2.4
263.01987	13.3
270.98920	4.4
273.00446	35.0
274.00931	3.8
275.02008	10.2
276.02365	3.2
291.01468	13.6
298.98477	17.1
299.99088	4.1
300.99872	19.3
316.99393	2.6
335.00406	5.4
335.04099	3.1
401.01419	3.0
403.03189	3.0
417.04453	4.1
423.68265	2.5
443.02551	3.4
445.04370	5.0
587.06433	3.5
603.06403	5.4
613.04773	100.0
614.05035	13.4
631.05786	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	631.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84816	5.3
59.01381	5.5
61.20755	6.1
61.98825	20.4
65.00340	7.6
69.61626	25.8
69.62038	11.5
73.34531	6.1
74.38879	5.4
77.26805	4.8
78.16793	4.5
81.57665	5.2
83.01376	6.3
83.12524	6.1
96.73502	5.4
96.96021	5.8
98.21867	7.8
107.01414	17.8
115.44962	5.1
121.02960	13.3
125.02446	21.6
136.46410	5.5
137.02495	8.0
145.02948	15.2
150.11931	5.9
151.00380	62.7
164.01180	5.9
165.05595	6.3
166.02698	23.2
169.01433	18.1
178.99858	13.2
181.05093	29.5
195.06607	9.0
201.50037	5.9
217.01375	5.8
223.06180	7.4
229.01331	5.4
270.98865	33.3
298.98480	39.6
299.98853	7.5
300.02802	6.0
301.00101	12.1
301.03503	100.0
302.03845	9.9
312.99878	20.9
314.00644	56.9
315.01129	7.0
329.03027	98.1
329.06659	9.3
467.85013	5.4
470.12515	10.5
478.09061	6.7
537.17371	5.5
551.35907	6.3
631.19916	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68423	4.1
55.88650	3.5
57.03447	8.0
61.98830	7.8
65.00353	4.9
68.99577	63.4
78.03569	3.6
94.00266	3.8
95.01374	4.1
96.95954	5.7
98.21703	9.6
101.02448	4.4
102.40713	4.1
112.98589	49.5
116.92937	4.3
123.04508	11.5
124.01673	10.2
125.02460	62.4
137.02403	5.6
145.02945	7.2
150.03227	6.1
151.00369	15.9
151.03996	5.8
152.01202	6.1
153.01921	5.9
167.03583	19.0
169.01479	6.7
178.99809	7.6
205.32950	4.3
217.05096	8.0
229.33391	4.6
243.03014	10.1
255.03125	20.2
259.06128	7.8
271.02475	59.0
272.02884	6.8
285.04117	14.3
299.02167	6.3
300.02759	100.0
301.03470	24.1
303.04846	5.7
306.07693	7.0
315.05197	11.8
340.97476	13.4
413.96710	8.4
419.11530	3.9
423.33447	4.7
487.60849	4.7
509.31952	4.1
517.09888	81.9
518.10083	10.6
570.12903	4.5
603.20117	10.5
613.18457	5.4
631.04138	15.0
631.20300	51.3
632.19031	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	631.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20139	0.3
61.59045	0.4
63.02401	2.1
65.00336	4.3
70.25819	0.3
75.88139	0.3
78.40896	0.3
81.03429	0.6
83.01400	3.0
87.67899	0.5
93.03410	0.7
95.01357	1.3
107.01406	9.9
109.02966	6.4
123.00890	2.4
125.02462	8.8
126.02773	1.0
127.02905	0.4
135.00954	0.3
137.02472	18.8
138.02777	0.7
145.02942	1.2
147.04439	0.5
151.00392	33.1
152.00705	1.5
155.03435	0.5
157.02957	0.4
161.02405	1.1
163.00375	2.3
163.03944	0.7
164.01166	0.7
165.01939	1.9
166.99878	1.6
168.00644	0.5
169.01456	8.3
170.01790	1.1
171.00696	0.6
171.02002	0.6
171.32994	0.3
172.01604	0.3
173.02405	1.3
175.04031	0.9
177.01868	0.5
178.99878	24.4
180.00143	0.9
189.01918	1.1
190.99887	0.8
191.03488	1.4
192.00684	1.9
193.01425	2.0
199.00290	0.5
199.03914	0.5
201.01855	1.4
203.03435	1.5
214.02724	0.4
215.03468	0.4
217.01376	1.1
219.03014	1.0
226.99803	0.4
227.03506	1.5
229.01494	1.6
229.73907	0.5
231.02965	0.7
242.01988	0.5
242.99338	0.9
243.02979	1.1
245.00903	1.5
245.04521	0.4
246.04759	0.4
247.02544	2.2
255.02852	0.8
259.02249	0.6
259.99652	0.5
261.04080	0.7
270.01486	0.8
270.98859	3.6
271.02444	3.7
271.99240	0.7
273.00415	2.6
287.01935	1.3
289.03516	0.9
290.03632	0.5
291.01331	0.6
298.98471	7.7
299.01846	0.9
299.99036	1.6
300.99893	3.3
313.05884	0.7
316.02271	4.2
317.03036	100.0
318.03378	7.4
401.01517	0.5
403.03262	0.8
417.04880	0.5
443.02328	0.7
445.04205	1.3
461.03796	0.7
479.08377	5.9
480.08450	0.9
587.10492	0.4
593.16003	0.4
603.06256	0.7
613.04767	5.7
614.05212	1.3
631.09381	12.2
632.10156	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	631.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84458	1.0
57.03455	1.2
59.01373	4.6
61.92448	1.0
61.98821	2.4
63.02404	2.0
65.00325	5.1
69.03445	1.2
69.05836	6.6
69.06236	3.0
69.79020	1.0
71.01388	4.8
72.43559	1.0
73.65878	1.1
74.24847	1.3
83.01395	5.4
95.01382	3.7
97.02954	1.3
101.02493	1.8
107.01399	18.1
108.02194	2.6
109.02962	6.7
111.00893	4.1
113.02477	2.1
121.02924	1.8
123.00907	21.6
123.04514	2.3
124.01690	10.8
125.02461	80.6
126.02773	3.2
136.98871	1.4
137.02452	15.4
139.00394	4.3
139.04057	1.7
140.01178	2.4
141.01985	1.8
147.00880	3.0
148.01707	1.8
149.02400	2.0
151.00385	37.9
151.04012	1.5
152.00842	2.0
153.01881	1.1
161.02454	2.1
162.03342	1.7
163.00381	3.6
163.04016	1.2
164.01184	2.4
165.01932	2.3
167.03587	1.5
168.00630	4.1
169.01443	100.0
170.01794	4.1
177.01900	1.4
178.99881	21.4
180.00191	1.2
183.02971	2.2
190.99820	1.2
191.82315	1.0
192.00737	1.8
193.01430	1.8
203.03482	1.0
211.02441	2.1
226.16122	1.0
229.05031	1.1
243.02943	1.9
245.04561	1.2
255.03049	3.1
263.20575	1.0
269.04416	1.4
271.02380	5.7
272.06982	6.5
273.07770	5.3
277.03165	1.5
285.07407	1.5
287.09329	16.5
288.09497	1.4
290.33203	1.0
299.02060	2.4
299.09317	2.4
300.02701	7.6
301.03549	21.4
313.05679	45.0
314.06033	1.9
316.02243	5.0
317.03052	74.9
318.03311	5.1
327.07333	1.4
359.15137	1.2
393.04630	3.8
433.07709	9.5
463.08850	8.3
465.06738	4.0
479.08282	13.0
595.13489	2.8
601.15692	82.1
602.16083	13.4
613.15778	22.6
614.16016	2.9
631.09167	15.5
632.09515	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	631.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01384	1.7
61.98811	1.3
67.01888	2.3
70.38841	2.2
70.39247	2.4
71.01372	6.4
74.98388	1.2
75.02445	1.2
81.60006	1.3
83.01411	2.8
88.33585	1.2
94.07936	1.3
95.01413	2.9
101.02446	2.1
107.01387	15.5
109.02974	3.6
111.00888	3.2
111.26506	1.2
112.54601	1.5
113.02477	1.4
121.02908	1.7
123.00900	24.9
123.04528	2.3
124.01694	9.6
125.02460	81.6
126.02782	2.1
135.04504	2.5
136.98907	1.3
137.02484	6.8
139.00371	5.4
140.01120	2.7
148.01678	2.7
149.02448	1.4
151.00391	19.1
151.04013	5.2
152.01131	1.5
153.01923	2.1
161.02405	3.5
162.03214	2.4
163.00392	1.9
164.01175	1.8
165.01932	1.8
168.00580	4.5
169.01450	100.0
170.01831	3.6
178.99876	9.0
179.03561	1.8
183.02994	2.7
192.00743	1.6
193.01489	2.6
211.02458	3.6
271.02499	2.0
272.06885	4.3
273.07678	4.2
285.04044	3.3
285.07364	1.6
287.09253	9.7
289.07019	2.2
299.09039	1.7
300.99866	2.3
301.03473	2.3
303.04953	1.5
313.05695	47.8
314.05975	3.8
316.02158	3.4
317.03027	21.9
318.03506	2.0
319.95654	1.6
327.07364	2.0
401.99469	1.4
465.06784	27.1
466.07162	3.6
479.08240	7.5
543.22754	1.5
601.15668	74.4
602.16028	13.1
613.15759	15.9
614.15845	2.1
617.02618	1.5
631.12445	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	631.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.4
61.98822	2.0
70.02915	0.6
71.01384	1.2
71.27337	0.8
85.02975	0.7
88.51946	0.7
88.89212	0.7
89.02467	0.7
91.01914	0.7
95.01382	1.8
96.95982	0.8
117.03468	1.5
121.02944	0.8
123.00878	4.0
125.02473	4.3
133.02959	1.2
135.04523	0.9
137.02455	1.0
139.00438	0.8
145.02957	3.5
147.04532	1.7
151.00381	0.9
151.04063	1.5
155.76758	0.7
157.03047	0.7
161.02470	2.5
163.00385	1.2
163.03926	1.4
166.99921	0.8
168.00673	0.7
169.01459	4.9
173.02460	4.1
173.44316	0.7
175.04086	1.7
177.01920	0.8
185.02400	3.2
187.00322	0.7
189.01930	2.4
190.02753	0.8
191.03493	5.2
193.01414	0.7
201.01993	4.4
203.03526	1.2
205.01521	1.0
209.00990	0.8
217.01414	5.2
219.02975	2.3
229.01457	6.9
230.01862	0.7
231.02946	1.0
235.02451	1.3
242.99333	0.9
245.00900	6.5
246.01450	0.7
247.02432	5.0
257.01010	3.3
258.01627	1.4
263.01999	0.7
270.98843	2.0
273.00427	10.4
274.01004	0.8
275.02011	9.0
283.99655	2.2
289.86377	0.7
291.01599	1.0
298.98343	2.9
299.99149	2.6
300.99918	100.0
302.00320	5.2
316.45157	0.6
434.56015	0.9
435.05701	2.8
481.06009	1.8
531.11340	1.6
559.11121	0.9
569.26031	8.0
587.10565	3.4
613.05420	2.3
631.16602	18.8
631.25183	1.7
632.17255	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	631.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.5
59.01387	23.1
61.98822	3.4
68.99588	5.8
69.09263	5.3
69.09686	3.3
71.01389	14.0
72.99316	1.7
85.02950	3.1
89.02451	8.0
95.01394	2.0
99.00888	1.2
101.02458	7.7
106.06634	2.6
112.98587	3.8
113.02475	4.8
119.03526	3.3
122.06154	1.6
123.00881	2.2
125.02460	2.7
134.06137	20.8
145.02904	1.1
152.07138	2.7
162.05656	2.7
169.01453	3.2
171.10390	1.6
174.02002	3.2
185.11848	2.8
188.07152	2.2
191.03438	1.0
201.11322	2.5
203.03430	0.9
209.11903	4.8
210.12195	1.3
211.13586	1.5
216.10295	11.5
231.03023	1.3
247.02434	1.1
255.02859	1.2
260.12943	11.1
261.13297	1.1
271.02533	4.1
286.14810	1.5
298.98288	1.5
300.02811	6.8
301.00073	2.2
301.03363	2.3
321.08838	3.8
375.17361	1.1
407.19885	2.4
450.17865	1.0
451.18753	5.1
473.15994	1.1
501.15189	3.7
517.10229	5.6
518.11188	1.2
587.22839	1.6
599.22833	1.3
613.04883	2.9
631.25140	100.0
632.25354	13.5
632.34686	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	632.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97350	0.8
53.04746	0.8
55.09211	0.9
59.01382	3.8
61.98836	8.2
67.01893	1.1
68.25870	0.9
69.00712	2.7
69.01132	6.1
71.01387	3.8
73.02955	1.1
74.76408	0.8
77.55344	0.8
79.01911	1.1
82.95425	2.0
85.02968	1.7
88.33394	0.8
89.02442	1.5
95.01395	1.4
96.95991	1.1
101.02458	2.5
107.01398	3.8
111.00890	1.8
112.98563	1.3
113.02486	1.7
113.18127	0.9
121.02998	0.9
123.00909	12.2
125.02463	20.6
128.03545	1.3
137.02441	1.4
139.00349	4.3
140.01135	3.5
141.01907	2.0
145.02922	1.5
147.04570	0.9
151.00375	9.1
151.04012	1.3
152.20387	1.0
153.01944	0.9
161.02457	1.6
163.00400	1.3
168.00679	4.0
169.01443	31.5
170.01828	1.2
173.02417	1.4
185.02373	1.3
185.11870	2.0
186.55478	0.9
189.01929	1.0
191.03500	2.4
201.01949	3.4
202.02380	1.1
203.03511	1.5
208.24876	0.8
209.04565	1.0
211.02466	4.1
217.01433	1.3
218.01680	1.3
219.02992	1.4
229.01422	3.9
231.03029	1.1
245.00960	2.2
246.01582	1.4
247.02568	1.5
248.02890	1.2
257.00897	2.1
258.01266	1.6
271.04654	4.2
271.99289	1.1
273.00342	4.2
274.00851	2.6
275.01941	6.3
276.02438	1.4
284.99854	1.3
296.70932	1.0
299.98923	1.6
300.99921	33.1
301.03296	1.9
302.00281	21.5
304.76840	0.9
313.05618	1.5
321.59552	0.9
337.40094	0.9
352.25800	0.8
478.86368	1.0
483.08438	1.0
569.26086	100.0
570.26373	14.7
632.17047	11.0
633.07538	2.1
633.18042	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	633.0736
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
59.64877	0.7
67.47388	0.8
70.61146	1.3
70.61489	1.7
85.02969	1.5
91.03439	0.9
95.01389	2.7
98.22350	1.0
105.44862	0.9
106.05334	0.9
107.01383	3.4
115.90495	0.8
116.92756	1.0
123.00888	4.4
124.01601	0.9
125.02460	15.9
145.03041	1.2
147.04547	2.3
151.00410	1.3
157.02959	1.1
159.04561	1.7
161.02399	1.4
163.04022	0.9
165.01927	0.9
169.01424	11.4
173.02414	2.2
175.03972	4.9
177.01967	1.8
185.02477	3.7
187.04045	1.1
189.01987	1.2
191.03522	1.7
201.01930	5.5
202.02748	1.2
203.03558	8.8
205.05200	0.9
213.01881	1.5
217.01489	1.0
219.03114	2.1
220.68903	0.9
229.01411	11.5
230.02130	1.7
231.02985	13.1
231.05095	1.3
245.00963	2.7
247.02489	2.2
249.04066	30.0
250.04468	1.5
257.00958	9.8
258.01611	2.6
273.00357	1.3
274.01187	1.4
275.02008	52.8
276.02438	4.2
283.99643	2.1
291.10294	0.9
299.99167	2.5
300.99927	100.0
301.05670	3.8
302.00266	7.4
331.06726	1.9
356.46997	0.8
394.76248	0.9
419.05789	2.2
615.05371	1.5
633.07361	77.6
634.07745	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	633.0733
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
52.48734	1.0
64.62965	1.1
72.09747	1.2
95.01412	1.5
98.21767	3.3
123.00883	3.3
125.02425	3.3
140.92403	1.2
145.02959	2.9
155.55663	1.4
157.03008	1.7
161.02431	1.4
165.05396	1.1
169.01448	2.6
173.02400	2.7
183.46303	1.1
185.02470	3.3
191.03459	3.2
201.01962	5.0
203.03523	3.5
217.01416	3.5
219.03006	1.9
229.01436	8.9
231.02934	2.7
245.00865	7.6
247.02495	2.4
248.03195	1.2
249.03902	2.2
257.01038	6.2
258.01514	3.0
273.00500	6.2
275.02026	17.8
283.99713	2.7
291.01492	2.0
299.99063	4.2
300.99927	100.0
302.00299	7.4
463.05176	8.3
537.11530	1.6
615.05182	2.6
633.07373	77.7
634.07587	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	633.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08644	0.4
57.03446	0.8
59.01368	0.8
61.98834	0.7
65.00306	0.5
67.01883	0.5
69.03455	1.6
69.50893	2.2
71.01387	5.4
73.02966	0.5
79.01885	0.8
81.03456	0.9
83.01389	1.3
85.02965	1.1
95.01407	2.0
96.96014	1.6
97.02961	1.7
98.22477	0.8
101.02451	1.7
107.01400	8.3
109.02969	0.9
111.00896	2.0
113.02464	0.8
117.03485	0.4
121.02979	0.8
123.00898	8.7
123.04527	0.8
124.01691	1.2
125.02459	57.2
126.02813	1.8
126.16319	0.4
127.00382	0.8
134.03731	0.5
135.04543	0.4
136.98817	1.3
137.02486	1.5
139.00392	3.5
139.04004	0.5
140.01189	3.3
141.01955	1.1
145.02831	0.6
149.02466	1.5
151.00381	6.2
151.04071	1.0
152.00777	0.4
153.01944	1.2
161.02446	0.9
163.03888	0.5
165.01956	1.2
165.05531	0.5
166.99876	1.1
167.03490	2.0
168.00679	3.8
169.01445	80.5
170.01779	2.9
175.03816	0.4
177.01939	0.5
178.99878	1.3
179.03494	0.9
181.01535	0.7
189.01945	0.4
191.03604	0.4
193.01410	4.0
193.05174	0.5
207.72505	0.4
211.02499	5.1
223.02560	1.3
235.02518	0.6
241.03622	1.0
243.02795	0.4
253.03571	0.7
271.02374	1.0
275.01871	0.6
295.04590	1.6
297.06229	2.5
298.06900	0.4
299.01990	0.5
300.02676	0.7
300.99966	1.7
313.05679	21.6
314.06058	1.7
315.05115	1.3
439.08749	0.6
463.08771	1.3
465.06760	100.0
466.07089	10.1
477.10226	0.7
481.09946	1.2
514.71698	0.5
633.05005	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	633.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01392	1.7
61.98814	0.9
65.00320	0.9
69.02851	3.2
69.03263	4.5
69.03489	1.4
71.01379	2.2
81.03463	5.2
83.01402	2.9
85.02950	1.3
95.01376	1.7
95.05035	1.7
96.96001	2.2
97.02954	1.9
101.02502	1.3
104.88416	0.9
107.01400	6.3
111.00897	1.8
113.02467	1.7
113.06090	5.0
123.00917	5.7
123.03638	1.6
123.04536	29.6
124.01684	1.4
125.02459	69.7
126.02776	2.5
127.38949	0.9
137.02448	1.4
139.00339	2.3
140.01152	1.3
143.03516	2.2
151.00395	5.5
157.05074	4.5
161.02457	1.2
163.03949	1.7
165.01974	1.0
167.03503	65.5
168.00679	4.1
168.01973	0.8
168.03886	2.6
169.01437	75.1
170.01819	1.9
175.04073	1.2
191.03473	1.5
193.01411	2.1
203.03656	0.9
209.04652	1.6
211.02550	2.9
229.01425	1.2
247.02274	1.0
255.02991	2.0
270.99582	0.9
271.02563	2.9
275.02011	3.3
295.04681	4.1
300.02725	8.0
300.99988	9.0
301.03391	1.9
302.00421	1.6
313.05664	19.6
314.05930	1.5
399.00394	15.4
400.00720	1.4
465.06738	9.6
466.07062	1.1
475.09039	8.4
481.09985	5.1
531.04602	1.7
633.11005	100.0
634.11359	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	633.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45890	0.7
57.03439	1.0
57.24926	0.6
59.01370	1.0
65.00324	1.2
68.97457	3.5
68.97878	4.5
69.03448	2.0
71.01382	2.0
78.83855	0.7
81.03455	4.7
82.08543	0.6
83.01397	2.7
85.02959	1.7
89.55952	0.6
92.01321	0.8
93.03448	0.7
95.01381	1.2
95.05031	1.5
95.58089	0.6
96.96017	0.6
97.02943	2.0
98.21783	1.1
107.01397	7.9
109.02916	0.7
111.00888	1.1
113.02457	0.9
120.94166	0.7
123.00883	6.5
123.04536	30.1
124.01675	1.1
124.04839	1.6
125.02462	76.4
126.02787	2.0
136.98831	0.8
137.02458	1.5
139.00375	3.1
140.01192	1.9
143.03519	1.9
145.03047	0.9
149.02415	0.8
151.00400	4.9
153.01962	0.7
155.36958	0.7
157.05156	1.0
161.02467	1.7
166.02698	0.7
166.99840	1.9
167.03511	66.3
168.00697	4.1
168.03851	2.4
169.01443	70.0
170.01785	2.8
177.01938	1.1
179.03468	1.1
181.01456	1.0
191.03467	2.5
193.01379	1.9
207.03041	1.4
209.04651	1.4
211.02478	3.3
233.04541	1.4
238.04433	0.7
251.05785	0.7
253.59305	0.7
271.04852	0.8
275.02036	2.1
289.07211	0.9
295.04651	3.0
300.03122	0.8
300.99908	4.6
302.00500	1.1
313.05695	17.8
314.05948	1.6
399.00317	8.1
400.00790	1.0
465.06873	11.9
466.07440	1.3
475.08890	1.6
481.09799	4.3
531.04791	2.0
633.11005	100.0
634.11377	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	633.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22100	0.4
54.22342	0.4
57.03450	0.7
59.01375	0.8
61.56365	0.4
64.55875	0.4
64.60103	0.4
65.00334	0.7
65.78937	0.5
67.01888	0.8
68.99844	0.5
69.03468	0.8
70.05733	1.5
71.01398	4.1
72.99297	0.5
81.03464	0.8
83.01393	1.0
85.02961	1.1
93.03452	0.5
95.01389	2.1
96.96047	1.1
97.02969	1.4
98.21837	0.5
99.00858	0.4
101.02457	1.4
107.01399	10.1
109.02957	0.8
111.00861	1.5
113.02489	1.1
123.00900	7.9
123.04588	0.8
124.01681	1.3
125.02461	54.0
126.02838	2.1
127.00391	0.7
136.98853	0.8
137.02470	1.3
139.00360	3.5
139.03972	0.5
140.01184	2.0
141.01952	0.7
149.02432	1.3
151.00391	5.5
151.04028	0.8
152.00977	0.5
153.01953	0.9
158.45316	0.4
161.02519	0.7
165.01950	1.2
166.99904	1.2
167.03485	2.5
168.00658	4.4
168.03900	0.4
169.01445	73.4
169.77495	0.4
170.01768	2.6
177.01927	0.7
178.99883	1.0
179.03476	1.3
183.02914	0.5
191.03377	0.4
193.01414	3.4
193.05092	0.4
207.02946	0.5
211.02451	4.3
223.02545	2.0
227.03514	0.7
235.02567	0.8
241.03572	1.1
243.02977	0.5
247.82671	0.5
253.03461	0.5
255.74419	0.4
271.02411	0.4
292.50211	0.4
295.04642	2.3
297.06311	3.1
300.02795	1.0
300.99991	1.3
313.05692	21.6
314.05823	1.0
315.05124	1.1
463.09091	0.8
465.06754	100.0
466.07153	10.0
481.10010	1.4
597.13971	0.4
633.05530	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	633.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21539	0.2
59.01374	1.0
61.98833	1.6
69.09608	0.5
69.10014	1.1
70.64735	0.2
71.01395	1.0
83.01375	0.2
85.02969	0.4
88.98875	0.3
89.02446	0.8
89.03976	0.2
89.07655	0.2
90.98287	0.2
92.03616	0.2
93.03469	0.3
97.02943	0.2
98.21829	0.5
101.02451	0.7
108.12318	0.2
108.63025	0.2
113.02468	0.7
113.08141	0.2
117.03476	29.1
118.03831	1.6
119.05038	9.7
120.05367	0.4
121.02920	0.3
123.00895	0.2
123.04572	0.5
125.02464	2.4
145.02968	100.0
146.02147	0.2
146.03308	4.3
161.02489	0.9
163.04022	10.0
164.04393	0.4
165.01927	0.3
166.99666	0.2
167.03513	1.0
169.01430	2.9
170.01718	0.2
173.06046	0.2
177.01912	0.5
177.05731	0.2
187.03923	0.2
195.06712	0.2
217.01361	0.3
217.05008	0.4
225.07748	0.2
235.06151	0.8
256.63007	0.2
271.02573	0.5
289.07230	0.6
300.02747	1.0
300.99939	0.5
301.03201	0.3
301.07162	0.4
307.08121	1.2
315.05139	0.6
341.06705	0.2
384.19415	0.4
453.11908	0.9
463.09204	0.3
465.06705	0.7
469.13422	2.5
471.22849	0.5
477.10367	0.5
481.11548	0.4
487.14597	12.7
488.15054	1.4
633.18292	8.8
633.27075	0.4
634.18512	1.3
664.91382	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	633.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12620	0.3
55.80932	0.3
59.01373	1.1
59.96334	0.3
61.98807	0.6
65.74757	0.3
68.12457	0.3
68.68150	0.3
71.01375	1.0
71.27068	0.5
87.00882	0.6
89.02436	0.7
89.35512	0.3
93.03488	0.3
101.02438	0.4
113.02484	0.6
117.03477	28.9
118.03786	0.7
119.05028	5.3
123.00908	0.4
125.02457	1.4
145.02968	100.0
146.03300	4.3
159.04509	0.3
161.02507	0.3
161.06163	0.3
163.04030	5.0
169.01436	0.9
173.06143	0.6
187.04036	1.1
217.05016	0.6
301.00244	0.6
307.08310	3.8
469.13519	1.8
487.14627	11.8
488.15094	1.3
520.30585	0.3
633.18420	14.4
634.18713	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	633.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
59.01372	1.9
59.01676	0.6
67.01882	1.0
67.28307	0.6
69.03446	2.1
71.01376	2.2
71.28558	1.2
76.71904	0.7
79.01888	1.1
81.03461	1.0
83.01384	1.0
85.02956	2.1
89.02442	0.8
95.01397	2.7
97.02956	1.9
99.00913	0.7
101.02449	1.6
107.01399	13.7
111.00901	3.8
111.01562	0.8
113.02454	1.0
123.00900	9.1
124.01675	1.9
125.02458	77.2
126.02796	2.1
128.03529	0.8
129.01988	1.0
136.98836	1.7
137.02477	1.6
139.00391	3.4
140.01228	3.4
141.01918	0.9
151.00378	5.6
165.01952	1.7
166.99834	1.7
167.03465	1.1
168.00641	7.5
169.01436	100.0
170.01781	3.6
177.04114	2.5
181.01482	1.7
193.01448	3.7
211.02480	16.8
212.02972	1.1
241.03511	1.3
271.04605	14.7
275.01971	2.0
300.99936	7.0
302.00098	1.2
311.04062	1.1
313.05750	1.9
329.05145	4.0
331.06775	1.8
423.05734	6.7
424.06613	0.7
465.06888	2.6
481.06317	9.2
481.17236	6.2
482.06451	1.0
483.07809	14.8
484.08606	1.4
598.20850	0.7
633.18280	82.4
634.08392	1.3
634.18597	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	633.3286
Annotation	Jaspamide O
Peak:m/z	Relative Intensity
50.76384	1.5
53.14178	1.3
57.03452	15.8
59.01361	1.8
69.03473	11.6
70.83163	3.5
71.01376	3.0
79.79578	1.3
81.03464	20.2
83.01415	6.9
91.05529	2.4
93.03485	3.9
93.17513	1.4
95.05063	1.4
106.73653	1.4
106.90854	1.6
107.05087	2.2
109.06606	6.7
123.00931	1.5
123.04563	3.8
125.02457	100.0
126.02796	3.4
133.06606	5.3
151.04015	2.2
167.03464	1.6
169.01483	4.2
177.05582	12.7
178.30350	1.6
203.07129	4.3
207.68315	1.3
217.93474	1.6
239.20245	4.5
275.02072	2.3
279.23349	2.1
284.54788	1.6
300.99744	2.8
305.21259	2.0
323.22348	1.7
365.23291	12.5
375.25516	3.8
391.24780	3.3
393.22784	2.4
419.24081	10.7
437.25433	4.7
471.27835	4.2
489.28772	7.3
507.29688	28.3
508.29880	5.5
589.34265	9.6
615.31891	7.0
633.08142	2.5
633.32733	41.6
634.33173	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	635.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30951	0.2
62.95181	0.2
66.71627	0.2
77.22493	0.2
83.35086	0.2
99.92596	13.6
100.92598	0.6
107.68971	0.2
116.92875	100.0
117.92892	5.2
123.00895	0.5
124.01698	0.4
125.02460	1.0
151.00397	0.2
165.57986	0.2
169.01379	1.2
195.24146	0.2
228.82544	0.3
271.02567	0.6
289.07501	0.3
300.02765	0.6
301.03564	0.4
313.05893	0.3
351.21881	0.5
354.95450	0.3
465.06961	0.5
483.17529	0.3
517.09821	0.5
554.42926	0.3
600.02045	0.4
617.02234	0.5
635.09119	0.3
635.19189	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	635.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.9
69.03455	1.9
71.01382	2.1
79.01914	0.8
83.01433	0.6
85.02954	1.9
95.01385	1.8
96.14429	0.6
97.02974	1.9
101.02438	1.2
107.00721	0.9
107.01388	6.7
111.00869	1.0
113.02454	1.9
123.00909	3.6
124.01638	1.3
125.02457	85.6
126.02812	2.9
127.00376	0.8
139.00371	2.0
140.01210	2.0
141.02002	0.9
151.00378	2.7
165.01895	0.6
167.03453	1.3
168.00703	4.7
169.01440	100.0
170.01776	3.1
174.06848	0.7
175.04034	0.7
181.01390	0.7
193.01448	3.5
211.02510	9.1
223.02496	0.8
228.83041	0.8
235.02452	1.0
237.04120	0.7
241.03600	1.3
271.04633	4.6
275.01889	0.8
276.02359	0.9
295.04642	4.9
300.99936	1.9
302.00125	1.6
303.00363	1.3
313.05646	5.1
331.06870	0.9
423.05701	2.1
465.06650	9.1
466.07468	1.5
483.07800	12.0
484.08170	1.2
596.31122	0.6
635.08929	52.7
636.09094	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	635.0891
Annotation	1,4,6-Trigalloylglucose
Peak:m/z	Relative Intensity
57.62026	0.6
57.97612	0.6
69.03469	1.6
71.01401	1.2
73.02399	0.6
73.55430	0.7
74.74036	0.8
95.01379	1.3
97.02950	1.2
107.01411	5.5
111.00920	0.9
113.02480	1.1
123.00898	3.9
124.01685	1.7
125.02457	67.8
126.02805	1.5
139.00374	1.5
140.01175	1.9
143.03548	0.9
149.52251	0.6
149.82106	0.6
151.00394	2.5
151.04048	0.7
166.99797	0.8
167.03532	0.8
168.00687	3.8
169.01439	100.0
170.01759	2.8
172.16223	0.6
172.81892	0.6
181.01427	0.7
191.73506	0.6
193.01422	3.5
211.02521	8.3
223.02553	1.0
235.02498	0.8
241.03488	1.4
271.04599	5.5
295.04697	5.5
297.05859	0.8
313.05685	5.6
405.04422	1.1
423.05737	2.5
465.06778	10.0
466.07111	1.0
483.01514	0.6
483.07825	16.1
484.08505	0.7
545.47693	0.8
630.98975	0.7
635.08929	69.1
636.09125	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	635.0892
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.08130	0.6
55.11905	0.5
56.96479	0.5
58.67897	0.5
61.91664	0.6
65.78925	0.8
69.03481	0.9
69.67484	2.0
71.01391	4.1
85.02924	0.7
91.79145	0.6
95.01400	1.3
107.01380	4.6
111.00859	1.1
113.02494	1.4
123.00901	4.7
125.02461	37.1
139.00363	2.2
140.01126	2.1
151.00420	5.2
165.01962	1.0
166.99872	0.7
167.03488	1.1
168.00716	3.0
169.01440	61.5
170.01764	1.9
172.91652	0.6
179.03448	1.0
193.01450	3.3
211.02484	4.8
223.02469	1.5
253.03537	0.9
272.60190	0.7
285.06119	0.6
295.04605	2.2
297.06125	2.1
313.05670	21.7
314.06027	1.3
453.36530	0.7
465.06763	100.0
466.07092	12.0
483.07892	2.4
483.95102	0.6
635.08441	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	635.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31392	1.0
59.01399	1.3
69.03451	1.2
71.01375	2.3
71.26057	2.0
72.86611	1.1
80.01061	1.2
80.19630	1.2
85.02960	2.6
87.74541	1.2
95.01411	2.8
97.02961	1.9
99.00906	1.5
101.02484	2.1
107.01395	10.0
113.02465	2.6
119.05043	1.3
123.00891	6.9
124.01678	2.2
125.02462	77.4
126.02776	3.6
127.00387	2.0
139.00398	4.1
140.01186	3.8
141.01907	1.3
151.00343	6.5
163.04001	1.9
165.01933	1.4
166.99844	3.3
167.03528	1.3
168.00638	5.1
169.01440	100.0
170.01768	2.8
173.02451	1.9
185.02547	1.0
189.01952	2.2
190.02681	2.7
191.03510	2.7
193.01424	4.1
203.03494	1.2
211.02496	7.0
217.01418	2.6
227.65572	1.2
229.01416	2.4
231.03142	1.1
235.02493	1.2
241.03485	1.5
245.00824	2.9
247.02507	3.8
270.98840	1.4
271.04642	3.4
273.00446	6.1
275.02005	2.6
295.04596	2.8
298.98337	2.4
299.99036	1.5
300.99905	9.3
302.00284	1.9
303.00275	1.7
312.48474	1.2
313.05676	25.3
314.06000	2.1
390.86401	1.3
405.04471	1.2
465.06787	26.9
466.07480	1.4
470.49820	1.2
483.07785	5.4
591.10236	2.5
635.08911	73.8
636.09387	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	635.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70171	0.5
51.04559	0.4
59.01373	0.7
65.81136	0.5
67.01882	0.6
69.03451	1.6
71.01389	1.9
73.02944	1.0
81.03424	0.6
81.98463	0.5
83.01391	0.7
85.02969	2.6
95.01396	1.9
97.02949	1.5
97.84717	0.5
101.02424	2.4
106.87844	0.5
107.01400	11.3
111.00894	1.5
113.02455	4.1
123.00900	6.7
124.01708	1.0
124.33483	0.5
125.02460	72.3
126.02805	2.8
136.98857	0.4
139.00458	2.5
140.01163	2.2
141.01935	0.5
143.03503	0.9
146.31001	0.5
146.63158	0.4
151.00381	4.0
158.29042	0.6
158.85799	0.5
165.01878	0.6
166.99802	1.1
167.03481	0.8
168.00681	4.6
169.01439	100.0
170.01781	3.5
179.03537	0.6
193.01418	1.4
203.03448	0.7
211.02499	3.7
211.46844	0.5
221.04704	0.5
223.02515	1.2
228.81392	0.6
241.03560	0.5
253.03412	0.8
271.04660	2.1
275.01987	1.5
276.02179	0.5
277.02972	0.5
295.04535	2.4
301.00256	0.6
302.00110	0.9
303.00302	0.7
313.05655	8.4
314.06082	0.6
321.02670	1.2
331.06732	2.5
465.06720	10.5
466.07166	1.1
483.07849	29.1
484.08188	4.6
502.62863	0.5
505.41119	0.6
635.08893	39.7
636.09155	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	635.0896
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01846	0.6
59.01372	0.6
67.01884	0.9
69.03442	1.4
71.01383	3.2
73.02948	0.8
79.01920	0.6
81.03471	0.6
83.01373	0.9
85.02972	2.7
91.43719	0.6
95.01398	1.5
97.02968	1.9
101.02454	2.0
107.01398	12.3
108.01779	0.5
111.00900	1.8
113.02469	3.2
123.00897	7.3
124.01675	0.9
125.02462	71.8
126.02841	3.0
127.00398	0.7
136.98773	0.9
137.02463	0.6
139.00394	2.3
139.03992	0.9
140.01170	2.5
141.01935	0.8
151.00398	5.2
153.01956	0.9
165.01953	0.9
166.99843	1.1
167.03496	0.9
168.00662	4.4
169.01448	100.0
170.01730	4.1
179.03540	0.8
193.01495	3.3
211.02525	5.6
223.02493	1.0
241.03650	1.5
253.03650	0.7
267.67050	0.7
271.04639	2.1
295.04572	2.5
297.06387	1.2
303.00861	0.7
313.05688	15.2
314.06067	0.8
321.02542	1.0
331.06732	2.0
465.06754	38.4
466.07040	4.8
483.07855	20.7
484.08539	2.6
635.08905	33.2
636.09381	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	635.0899
Annotation	Gallotannin
Peak:m/z	Relative Intensity
59.01374	0.8
65.56627	0.7
65.90980	0.7
66.28364	0.5
69.34787	4.6
71.01376	2.6
72.99309	0.8
77.99487	0.7
79.01905	1.3
81.03482	1.1
81.03989	0.7
83.01398	1.1
85.02953	3.0
89.57931	0.6
90.39591	0.7
95.01397	2.4
97.02966	2.7
98.22490	0.9
101.02433	1.4
107.01418	10.5
111.00870	1.8
113.02450	2.5
115.12470	0.7
121.10351	0.7
123.00890	5.8
125.02466	72.2
126.02782	2.1
127.00373	0.9
136.98845	1.0
139.00388	3.0
140.01184	2.6
149.50902	0.7
151.00420	3.6
166.99901	0.7
167.03534	0.9
168.00647	4.7
169.01442	100.0
170.01797	2.8
182.02344	0.7
187.30171	0.7
193.01474	2.2
194.47246	0.7
203.03542	1.4
211.02502	3.2
215.98079	0.8
231.02838	0.7
249.04082	1.1
253.03651	1.1
256.08823	0.6
257.00900	0.7
271.04697	1.4
275.02042	2.8
276.02264	1.5
277.02548	2.0
295.04660	3.4
300.99976	4.5
302.00214	3.0
303.00311	4.1
313.05695	12.3
331.06870	1.6
422.75900	0.8
465.06711	17.6
466.07056	2.2
483.07773	19.4
483.14374	1.3
484.08145	1.8
635.08905	55.2
636.09302	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	635.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	1.1
71.01383	2.1
75.01096	0.7
81.03470	0.8
83.01374	1.0
85.02961	1.2
95.01400	2.4
97.02959	2.2
98.21726	1.7
98.43175	0.7
101.02454	2.1
107.01410	8.2
111.00909	1.6
113.02489	1.3
123.00902	7.0
124.01691	3.2
125.02458	93.7
126.02820	3.6
127.00434	0.7
136.98792	1.4
139.00456	4.1
140.01176	3.1
149.02441	1.6
151.00371	5.3
165.01917	0.8
166.99834	1.7
167.03496	1.0
168.00667	8.5
169.01439	100.0
170.01814	4.6
175.17918	0.7
176.64961	0.7
181.01451	1.3
193.01428	6.0
194.99367	0.9
211.02515	14.5
211.56155	0.9
212.02881	1.3
234.35378	0.8
235.02548	2.2
237.04146	1.0
241.03499	0.9
253.03604	1.6
271.04556	8.0
275.02011	1.9
276.02289	1.2
295.04626	2.0
300.99924	2.6
302.00296	2.1
303.00330	1.7
313.05670	15.0
314.05862	1.1
320.10391	0.8
331.06683	2.7
380.06561	0.8
421.07748	1.7
423.05704	8.5
439.08752	4.1
445.27518	0.8
465.06781	17.5
466.07214	2.2
483.07877	23.1
484.08044	2.0
591.10046	17.2
592.10364	3.1
617.07526	1.9
635.08856	61.2
636.09259	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	635.0897
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.22324	0.7
57.06382	0.7
65.07581	0.7
65.78958	0.7
69.03452	0.8
69.05169	5.6
69.05573	1.2
71.01381	2.0
73.02898	0.8
79.01892	1.1
81.03436	0.7
85.02949	2.8
95.01375	2.2
97.02965	2.2
101.02454	1.6
107.01398	8.6
111.00877	2.1
113.02451	2.5
115.32804	0.7
121.02943	0.7
123.00911	7.8
124.01749	1.7
125.02460	66.4
126.02802	2.0
137.02444	1.1
138.24525	0.8
139.00401	3.5
140.01173	3.5
141.01979	1.2
149.02470	0.7
151.00362	5.4
151.04080	0.8
154.42143	0.8
154.44333	0.7
154.74130	0.7
165.01993	1.4
165.90475	0.8
166.99927	0.9
167.03426	1.1
168.00652	6.1
169.01442	85.6
170.01762	3.4
179.03493	2.0
189.01939	0.7
190.02556	0.8
191.03513	1.8
193.01440	4.2
194.01572	0.7
195.02896	0.8
202.97559	0.7
205.01352	0.7
207.03033	1.2
208.88672	0.8
211.02487	7.5
223.02467	0.8
235.02516	1.3
235.66577	0.7
241.01050	0.7
241.03476	0.8
249.04024	0.7
271.04617	1.7
273.00366	1.6
289.27924	0.7
295.04541	2.7
297.06244	1.5
300.99979	1.4
313.05682	27.0
314.06079	1.7
401.40363	0.8
465.06763	100.0
466.07141	10.5
483.06995	5.2
484.07462	0.8
591.09821	1.2
635.08759	15.9
636.09625	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	635.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84097	0.9
56.48147	1.0
62.30844	1.0
67.01906	1.1
69.03465	2.3
71.01381	6.6
72.99294	1.0
79.01892	1.2
85.02960	2.2
87.00880	1.0
87.44376	1.1
88.23755	1.1
95.01424	3.9
97.02961	2.0
101.02496	1.6
107.01402	14.4
111.00897	3.1
113.02442	2.1
118.44401	1.2
119.18575	1.0
123.00899	17.8
124.01682	3.5
125.02462	72.6
126.02794	2.9
136.98819	2.3
137.02357	1.3
139.00398	10.8
139.04062	1.2
140.01199	9.0
141.01964	2.1
149.02443	1.4
151.00421	9.6
153.02010	2.4
154.02730	3.8
165.01949	1.5
166.99892	3.3
167.03566	2.2
168.00632	11.4
169.01447	100.0
170.01772	3.1
179.03543	2.4
181.01503	1.6
183.03020	3.6
193.01457	5.8
193.05298	1.0
211.02525	4.6
223.02512	1.8
235.02486	1.5
237.04172	1.7
253.03607	2.0
295.04623	2.7
297.06204	3.9
299.68094	1.1
313.05695	28.7
314.06174	3.0
465.06754	71.9
466.07169	7.9
483.11420	10.6
635.12585	78.4
636.12830	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	635.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69009	0.6
56.62151	0.6
65.00315	0.7
66.71844	0.7
67.01895	1.8
69.03449	0.8
69.67483	1.3
69.67873	3.2
71.01392	7.0
79.01909	1.6
80.49170	0.6
83.01408	1.3
85.02963	2.0
87.00901	0.9
95.00874	0.9
95.01390	4.3
97.02962	2.0
101.02464	1.6
107.01405	12.4
109.02952	1.0
110.00060	0.7
111.00909	3.9
113.02471	2.1
121.02956	0.8
123.00912	13.8
124.01683	2.9
125.02465	72.1
126.02819	2.8
127.00413	1.3
136.98825	1.8
137.02492	1.4
139.00395	8.4
139.04041	1.6
140.01176	5.7
141.01979	2.0
149.02437	0.9
151.00394	9.5
151.03963	0.8
153.01993	1.5
154.02571	1.2
155.03476	0.8
165.01958	1.5
166.99883	2.5
167.03520	2.5
168.00682	7.9
169.01451	100.0
170.01810	3.5
179.03534	1.9
183.03018	2.7
191.03537	1.2
193.01434	6.0
207.02985	1.1
211.02542	7.6
213.44344	0.8
223.02516	2.7
235.02391	1.0
237.04100	0.9
241.03481	1.5
253.03642	1.0
261.23956	0.7
263.30298	0.6
285.87402	0.8
287.27444	0.7
295.04697	2.5
297.06177	4.5
313.05713	34.3
314.06104	2.2
465.06766	97.9
466.07156	11.0
479.08282	2.1
482.04639	0.9
483.11514	3.0
576.22980	0.7
635.12592	51.0
636.12842	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	635.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82771	1.2
59.01366	2.5
61.23533	1.3
69.03452	1.7
69.13816	3.7
69.14229	7.6
71.01376	5.3
73.27838	1.2
79.01894	2.1
79.46844	1.3
80.91330	1.2
94.98100	1.6
95.01411	2.7
97.02946	2.0
99.92600	11.8
100.61951	1.4
100.98537	1.2
101.02482	1.6
102.52197	1.3
107.01385	12.7
111.00917	5.0
113.02461	2.4
116.92871	83.4
117.92898	5.0
123.00871	9.9
124.01622	2.1
125.02454	71.3
126.02796	2.1
128.02536	1.2
139.00391	7.7
139.59373	1.5
140.01158	21.4
141.01920	2.5
151.00389	10.1
155.03476	12.2
166.99904	1.6
167.03511	1.5
168.00684	9.7
169.01436	100.0
170.01730	2.7
193.01411	2.9
211.02504	9.7
230.10791	1.5
253.03641	1.9
271.04620	5.9
295.04324	1.5
313.05734	12.5
465.06747	43.0
465.13312	2.5
466.06992	5.0
479.15591	2.6
483.07895	7.0
483.18787	13.8
635.08893	18.7
635.19733	71.1
636.09387	3.5
636.20349	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	635.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63965	0.9
59.01374	2.5
61.98834	1.7
67.01891	1.6
69.03455	1.6
71.01387	3.9
71.26637	1.7
72.99303	1.7
73.01275	1.0
79.01911	1.3
85.02954	3.2
90.42586	1.0
95.01405	1.5
97.02962	1.6
101.02473	1.1
107.01404	10.6
108.01743	1.1
111.00874	2.8
123.00890	9.8
124.01670	3.0
125.02466	57.3
126.02785	2.4
128.03557	2.3
136.98877	2.3
139.00397	5.0
140.01172	4.9
143.04602	3.1
151.00354	4.5
153.01901	1.4
165.05515	0.9
166.99843	2.5
168.00652	11.4
169.01447	81.6
170.01781	3.6
177.04070	4.4
211.02489	1.6
221.69090	1.0
230.04829	1.0
237.04097	3.3
275.01984	1.4
297.06149	1.7
298.40869	1.0
300.99924	3.7
302.00555	1.1
306.07739	4.0
311.03995	1.3
313.05771	1.6
329.05215	4.6
330.06012	1.2
356.54657	1.0
449.07199	1.3
465.06763	2.2
481.06400	7.0
483.18881	14.3
635.11884	4.0
635.19885	100.0
636.20239	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	637.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81168	1.2
57.09625	1.4
59.01380	4.0
65.94807	1.4
72.99313	4.5
85.99323	1.4
87.00884	10.1
98.21786	5.5
107.01411	2.3
107.05036	1.4
110.67371	1.5
112.98695	1.5
116.72699	1.3
124.20511	1.4
125.02451	14.4
126.02741	3.3
134.03760	6.2
135.04543	72.3
136.04887	2.9
149.00928	100.0
151.33981	1.5
169.01428	16.8
170.01773	4.0
171.01956	3.4
172.22864	1.5
179.03510	97.7
180.03868	3.4
229.50897	2.1
275.02136	1.8
286.69815	1.4
300.99637	2.2
311.04074	11.1
313.05469	1.9
335.68756	1.8
467.07309	3.3
485.08575	1.9
559.48230	2.0
637.09241	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	637.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30746	0.6
59.01387	1.3
59.42529	0.5
60.58975	0.5
63.02384	2.1
65.00334	3.4
65.96805	0.6
69.01224	3.2
69.01646	3.2
71.01405	0.8
83.01385	2.3
89.02405	0.9
92.54314	0.6
93.03467	1.1
93.32708	0.7
101.02425	0.8
107.01410	10.6
108.02187	0.9
109.02939	1.1
112.45289	0.6
121.02972	7.6
121.83202	0.8
123.00861	1.0
125.02456	2.8
133.21576	0.7
139.23996	0.6
147.00894	1.0
149.02451	1.1
151.00386	41.0
152.00699	1.1
161.02484	0.8
163.00389	2.8
164.01125	1.1
169.01454	2.5
178.99872	21.4
183.04523	1.1
193.01402	0.7
199.04018	3.5
201.05586	0.9
203.48177	0.6
211.03999	1.3
215.03616	1.0
227.03435	3.7
229.04982	1.7
239.03432	0.8
243.02994	10.8
244.03337	1.0
245.04474	2.6
254.02206	1.8
255.03000	20.7
256.03317	1.1
271.02505	37.1
272.02988	4.7
273.03961	2.4
283.02386	1.5
298.98550	1.0
299.01987	20.7
300.02771	61.2
301.03543	100.0
302.03937	8.4
402.57684	0.7
415.06509	0.8
429.46500	0.7
462.07941	3.3
463.08878	37.3
464.09222	3.6
475.08865	77.7
476.09253	9.6
637.14008	21.0
638.14465	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	637.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	1.6
65.00339	2.1
65.96502	0.3
83.01382	1.6
83.23065	0.3
87.93314	0.4
93.03450	1.0
93.32688	0.4
98.22612	0.7
107.01398	6.0
108.02217	0.9
109.02962	1.8
121.02960	5.5
122.03269	0.5
123.72876	0.3
124.19860	0.3
125.02518	0.7
135.00902	0.8
137.35226	0.4
141.75911	0.3
147.00923	0.4
148.01701	1.1
149.02440	0.7
151.00383	27.5
152.00760	1.1
163.00398	3.1
163.03940	0.5
164.01195	0.6
169.01454	1.9
178.99873	12.8
185.06001	0.4
187.04073	0.6
192.00595	0.8
193.01440	0.7
199.04004	0.6
203.03346	0.5
211.04051	1.6
227.03593	2.1
228.04092	0.4
228.67966	0.4
229.05080	1.3
243.02986	5.6
244.03485	1.0
245.04518	2.0
254.02151	1.3
255.03001	18.0
256.03427	1.9
257.04562	0.8
271.02496	36.2
272.02948	3.0
273.04007	2.2
283.02518	1.6
284.95520	0.4
285.04053	2.3
299.02051	2.5
300.02768	68.7
301.03531	86.6
302.03848	6.4
343.04660	0.5
415.06967	0.7
433.07635	3.1
463.08920	4.5
464.08710	0.6
475.08835	100.0
476.09213	11.9
548.79004	0.4
637.14160	2.9
638.14447	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	637.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00703	0.3
56.29759	0.3
61.98830	0.4
62.01366	0.3
69.10578	3.2
73.60722	0.3
82.53625	0.3
92.02660	0.4
93.03474	2.8
95.01384	1.3
95.05077	0.4
104.21124	0.3
108.02187	8.6
109.02963	0.8
117.03469	1.0
119.04997	0.4
121.02968	4.1
123.04541	3.9
125.02473	0.5
131.03767	1.5
132.04611	0.5
133.02968	1.2
134.03745	0.4
145.03003	2.1
147.01909	0.4
148.04056	1.2
149.04819	1.1
150.05623	100.0
151.05962	4.2
159.04523	0.3
164.07193	1.7
174.03218	0.5
176.03549	35.1
177.03886	1.1
188.04814	0.9
189.05557	0.6
197.06165	0.5
209.11870	5.3
210.12138	0.4
211.07674	0.6
213.05614	0.5
218.04654	0.6
221.06149	0.5
223.07602	0.5
237.05545	0.8
239.07162	1.3
249.05618	0.9
251.03581	0.7
251.07147	0.5
259.06140	0.6
263.07144	0.6
264.06808	0.5
265.05133	1.1
266.05939	0.5
267.06659	5.2
268.07468	0.6
269.04501	0.8
279.06696	1.4
280.07364	0.7
281.08331	1.7
282.09018	2.9
283.09763	1.7
284.09326	2.8
293.04642	0.9
293.42508	0.3
295.09781	0.5
296.10480	2.2
297.11362	4.0
298.11493	0.5
307.06107	2.3
308.06812	2.5
309.07544	0.5
310.07303	0.3
321.07666	0.6
322.08429	2.9
323.09271	6.5
324.09210	0.6
337.05893	1.3
338.10406	0.9
349.05865	0.7
350.06726	0.9
351.07428	1.7
352.08264	5.8
352.12073	2.3
353.08426	0.6
364.08322	2.1
393.14932	0.4
414.11240	0.9
428.11362	0.4
430.13004	4.9
431.13541	0.9
445.15359	2.5
446.15732	0.4
460.17731	6.8
461.18097	0.5
470.12827	0.6
471.13193	1.0
474.15701	6.3
475.16141	0.9
486.15637	52.6
487.15942	7.4
492.54855	0.4
515.17981	0.6
608.22729	0.6
619.20398	0.5
620.22766	1.1
637.22021	21.2
637.31580	0.9
638.22363	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	637.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13596	4.2
59.01375	14.4
65.03995	3.8
66.15283	3.7
71.01388	13.7
87.00943	5.3
89.02464	7.9
98.22652	9.2
100.72395	3.8
101.02488	6.9
112.82397	4.6
113.02469	5.9
125.02443	5.7
125.09714	5.3
131.18639	4.1
159.71434	4.1
185.11850	4.3
209.11819	15.6
213.12941	9.3
231.13875	12.3
249.14880	4.5
262.81363	4.6
383.22379	11.1
401.23203	10.8
619.31213	100.0
620.31390	17.1
637.31812	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	638.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77006	2.4
58.44241	1.9
71.01361	5.0
71.26692	3.7
76.70430	2.1
95.01393	3.2
96.83559	2.2
107.01402	8.5
111.00924	3.1
113.02472	3.7
121.03011	3.0
123.00101	2.2
123.00884	11.1
123.04512	3.4
125.02462	74.9
126.02782	3.8
137.02475	4.1
139.00406	5.9
140.01198	4.2
151.00362	7.7
151.04109	2.8
161.02422	4.4
163.53960	2.1
167.00073	2.3
167.03543	4.3
168.00636	8.1
169.01443	100.0
170.01765	3.4
177.01945	5.0
191.03584	2.3
193.01544	3.8
193.68147	2.3
211.02528	5.3
218.86682	2.2
222.90491	2.2
242.99217	2.5
270.98859	4.8
289.07230	2.9
295.04764	2.4
297.06192	4.3
298.98282	4.5
299.99149	36.9
303.05133	2.5
308.05408	2.1
313.05722	32.3
314.00528	2.3
315.01498	28.8
329.42029	2.4
397.46051	2.5
465.06732	46.9
466.07040	6.7
575.10431	92.7
576.10876	13.5
638.13574	2.6
639.01727	3.5
639.11658	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11143	1.7
59.01394	4.1
60.38887	1.9
71.01376	4.4
71.25880	2.7
85.02955	5.9
89.02505	2.3
91.05555	2.3
95.25147	2.0
101.02474	4.1
107.01410	8.0
111.00888	2.5
113.02438	4.7
117.03501	3.9
119.05038	11.6
120.99734	2.2
121.02943	2.2
123.00928	5.3
124.01720	2.1
125.02460	80.3
126.02787	3.7
133.03036	2.1
135.04532	12.1
138.03191	3.0
139.00400	3.1
140.01212	3.3
145.02991	9.2
147.04556	19.8
149.02478	6.5
151.00310	2.9
153.01912	1.9
160.01691	4.1
161.02481	5.6
163.04018	32.7
163.05261	3.1
165.01859	2.5
165.05632	2.6
168.00685	6.1
169.01448	100.0
169.51344	1.8
170.01776	3.8
173.02443	14.3
174.03241	7.0
175.04033	36.7
176.04433	3.1
177.01958	5.4
189.01955	7.9
191.03510	18.1
191.05278	2.8
192.88783	1.7
193.01392	11.6
193.05124	5.9
201.01939	47.5
206.02187	3.4
207.02991	19.9
208.03233	2.6
209.04576	2.1
211.02490	16.6
217.01459	2.9
219.03004	39.6
233.00990	8.1
235.02547	7.7
237.04132	4.1
245.00864	23.4
249.04013	10.6
251.01839	2.4
261.04211	2.6
263.01984	31.1
264.88370	2.1
271.04703	6.6
277.03494	2.3
279.04926	3.4
288.99857	5.2
300.99805	4.8
305.03024	7.9
309.06223	9.4
313.05716	6.3
323.13556	3.6
331.06744	6.1
335.04114	4.1
365.05270	11.0
407.06323	8.5
451.05124	2.3
483.07889	9.9
521.09320	42.5
522.09589	4.5
549.08813	4.0
551.11078	3.1
565.08362	38.3
566.08752	5.6
577.08459	68.5
578.08722	7.2
593.08008	2.6
603.06171	4.9
621.07361	41.3
622.07574	5.6
639.08478	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1205
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
59.01362	1.6
63.02420	0.5
65.00330	2.5
66.06059	0.4
66.81641	0.4
68.35306	0.5
70.02705	1.8
71.01378	2.1
83.01393	1.3
85.02937	1.3
92.27126	0.8
93.03461	0.6
95.01395	0.6
95.62173	0.4
106.43237	0.4
107.01398	4.8
109.02969	1.8
113.02463	1.1
118.30576	0.4
121.02969	3.2
125.02460	3.4
126.02815	0.6
127.02876	0.6
128.03230	0.4
129.28641	0.4
133.02922	0.4
135.00851	0.7
137.02426	0.5
148.01691	0.4
149.02420	0.9
151.00381	17.0
163.00417	1.4
164.01131	1.0
165.01923	0.6
169.01437	3.4
170.01764	1.2
171.01909	1.0
173.02371	0.4
175.00397	2.2
175.02512	1.3
178.99863	3.3
180.00137	0.4
187.03946	0.7
189.01938	0.7
193.01382	1.3
201.05592	0.7
211.04018	0.9
213.02075	0.5
215.03613	0.4
227.03458	1.2
228.73053	0.4
229.05078	1.0
239.03253	0.4
239.67381	0.4
243.03067	0.9
245.04630	0.5
255.03154	2.4
256.03864	0.5
257.04581	0.7
271.02502	4.0
273.03790	0.5
280.09387	0.4
283.02603	0.5
285.03922	0.6
300.02762	8.6
301.03552	100.0
302.03851	7.0
313.03424	0.8
316.06516	0.5
339.83179	0.4
343.04529	1.8
424.10187	0.6
463.08850	62.9
464.09036	7.1
464.15305	0.5
467.06946	0.6
468.08084	0.5
469.07788	0.9
639.11951	12.2
640.12585	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	639.121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32438	0.7
58.58799	0.7
59.28284	0.8
59.67535	0.6
62.78962	0.8
64.86173	0.8
86.36897	0.7
157.72186	0.7
172.01764	0.9
200.01022	1.0
242.99348	2.1
270.98871	17.3
298.98349	20.6
299.99130	100.0
300.95200	0.6
300.96246	0.9
300.99493	7.2
301.02576	1.2
314.00668	9.7
315.01492	65.2
316.01852	3.6
331.44684	0.7
491.82877	0.8
639.12097	78.7
640.12537	9.1
661.32190	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	639.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02416	0.3
65.00314	0.4
69.17083	0.6
69.17488	1.8
74.64086	0.3
92.18043	0.3
98.21758	0.4
107.01395	1.2
107.02721	0.2
108.02198	0.8
109.02896	0.6
121.02966	0.9
124.01663	0.5
125.02449	0.8
132.02231	0.4
133.01967	0.4
133.02963	4.8
134.03804	0.4
135.00914	0.5
135.04550	3.4
137.02467	0.3
145.02902	0.4
148.01701	1.0
151.00391	3.4
159.04449	0.4
160.01611	0.5
161.01120	0.5
161.02457	10.1
162.02809	0.4
163.00378	1.0
164.01112	0.5
169.01440	1.1
175.03970	0.3
178.99918	2.0
179.03522	2.1
183.04588	0.3
192.00616	0.5
199.03941	0.9
203.03554	0.4
211.03987	0.5
215.03496	0.4
216.04239	0.3
221.04475	0.6
223.10706	0.3
226.02699	0.8
227.03543	1.9
243.02995	8.2
244.03607	0.8
245.04382	0.4
254.02138	1.6
255.03001	19.1
256.03400	1.7
271.02499	41.7
272.02988	4.7
283.02551	0.6
299.02020	5.4
300.02768	100.0
301.03354	16.0
302.03845	1.0
302.14478	0.3
314.04330	0.4
315.05127	62.1
316.02206	1.0
316.05481	4.4
323.07709	5.8
324.08066	0.6
331.04614	0.7
460.18173	0.4
462.08090	0.9
463.08871	9.0
463.15186	0.6
464.08994	1.3
477.10422	40.4
478.10883	5.2
486.15726	1.4
493.09842	0.7
639.13593	27.0
640.13940	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	639.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	1.1
65.00298	1.7
70.30887	2.3
74.42966	0.7
81.92129	0.6
83.01386	1.5
107.01385	3.3
108.02177	1.5
109.02956	1.7
119.18792	0.7
121.02924	2.4
123.00940	0.8
125.02445	1.7
133.02921	0.7
135.00842	1.2
148.01685	1.2
151.00386	9.9
160.01634	0.9
161.02443	2.9
163.00389	2.2
164.01143	1.2
169.01436	1.3
178.99902	5.1
190.27592	0.8
192.00734	1.1
203.03606	0.8
211.04201	0.8
215.03575	1.6
226.02751	1.8
227.03575	3.3
229.01262	0.9
229.05032	1.2
243.03001	12.3
243.65776	0.7
244.03667	1.3
254.02055	3.3
255.03000	30.7
256.03473	1.6
271.02499	66.5
272.02914	6.3
273.04153	1.3
299.01996	2.0
300.02777	100.0
301.03482	38.3
302.03955	2.9
314.04337	1.5
315.05222	2.8
323.07913	1.8
343.04791	1.3
463.08881	45.5
464.09021	5.6
477.10233	2.5
639.13623	49.6
640.14056	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	639.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42722	1.0
52.98772	1.1
57.25275	1.1
61.98819	3.8
66.96129	1.0
70.20850	0.9
83.88966	0.9
93.03468	1.3
98.21786	2.3
108.02184	2.6
109.02957	9.2
116.92874	1.3
121.02959	2.3
123.04539	1.9
125.02461	3.7
128.90152	6.3
133.02972	2.9
134.03758	42.8
135.04552	50.5
136.04887	2.9
145.02963	3.0
146.03775	5.6
147.04520	8.6
148.04164	1.4
148.05292	5.3
149.06097	13.7
150.03230	1.0
159.04555	2.5
160.01747	2.3
161.02470	3.6
161.06096	1.2
162.05661	1.0
165.02097	1.2
169.01411	2.7
175.04102	2.4
176.03581	3.2
177.04237	1.5
178.05128	3.8
186.28389	1.2
188.03685	1.4
189.04239	1.4
190.05161	3.5
191.81351	1.1
202.05069	2.1
204.06712	1.8
224.08603	1.3
237.05617	1.6
239.07199	4.5
240.07991	1.3
241.05197	1.4
251.07153	1.7
252.07983	2.5
253.05118	4.6
254.05826	2.0
255.03004	1.1
255.06691	8.5
256.07309	2.9
266.06033	1.8
267.06641	22.2
268.07404	18.0
269.07959	2.7
271.02472	1.5
281.08414	2.4
282.09073	12.8
283.09805	15.1
284.09964	2.0
297.11392	3.3
298.10992	1.6
300.02829	4.3
309.10159	2.6
312.09296	1.3
315.05283	1.6
322.10626	1.4
325.09311	1.2
352.11862	1.7
418.13086	1.2
430.13452	1.7
446.16354	3.5
461.14737	1.3
476.17587	12.4
489.16858	13.7
490.17291	2.2
503.18289	14.4
504.18866	2.1
639.23621	100.0
640.14032	1.9
640.23981	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07563	1.1
61.98833	2.4
70.83055	2.5
93.03484	7.8
97.39988	1.1
108.02177	2.1
109.02980	3.4
121.02970	13.8
123.04549	2.2
133.02980	1.4
133.05382	13.7
134.03827	1.5
134.06136	4.7
135.04556	8.8
147.04584	1.9
148.04152	1.7
148.05272	6.6
149.04837	1.7
159.04568	1.7
160.04077	13.2
173.02382	1.4
174.03212	1.2
174.05597	1.9
176.03519	2.3
178.05127	4.0
190.05177	2.9
191.69279	1.3
195.08125	1.7
211.07727	2.5
221.06143	2.0
222.06665	1.3
223.07732	2.6
224.04820	1.2
227.07059	1.8
237.05646	3.2
238.06230	1.9
239.07181	9.7
248.04733	1.3
249.05521	5.5
249.36244	1.7
250.06253	1.7
251.03462	3.1
251.07103	1.6
256.07532	1.5
263.07184	3.8
265.04971	3.5
266.05710	3.2
267.06668	51.1
268.07376	9.0
269.08224	1.4
270.11292	2.2
277.05002	2.1
279.06686	2.8
280.07516	2.8
281.08282	9.2
282.09006	49.1
283.09744	17.6
293.04510	5.4
294.05399	2.7
295.09802	1.9
296.10602	11.6
297.11359	73.1
298.11661	6.1
300.02866	2.6
308.06757	3.7
309.07700	10.3
310.07489	2.5
312.12552	10.3
313.10870	1.8
321.07419	1.3
322.08459	3.5
323.09045	5.3
324.09061	2.0
325.09705	2.0
326.10291	3.0
338.10355	1.9
350.10333	2.2
351.07584	1.4
352.08188	3.5
352.11890	3.5
364.08414	1.5
382.12906	2.6
385.10825	6.7
400.13113	6.3
401.13559	1.9
415.15454	14.7
416.15540	2.1
428.11295	3.7
430.13043	27.4
431.13290	3.4
443.13745	4.9
444.14804	1.4
445.15421	12.7
446.15845	4.4
458.16180	23.8
459.16446	3.7
460.17719	100.0
461.18066	12.5
476.17307	16.3
477.17508	2.6
484.14014	3.8
486.15686	25.4
487.16202	2.9
502.15039	2.1
515.18121	3.2
527.18195	2.0
545.19336	9.1
578.21912	19.0
579.22211	4.7
621.22510	35.3
622.22449	7.7
639.23755	14.5
640.23694	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	639.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47567	0.6
61.98812	0.7
64.31444	0.5
67.04181	0.5
78.50530	0.7
93.03463	0.9
108.02183	1.2
109.02950	0.8
119.15388	0.6
121.02973	3.5
122.03768	0.7
123.04514	1.3
125.02386	0.8
133.02951	1.3
133.05350	4.8
134.03787	5.1
135.04555	7.9
145.02956	1.3
147.04539	8.1
148.05321	31.2
149.02440	2.4
149.06119	3.1
150.03220	1.6
153.77814	0.6
161.02498	1.2
162.03311	0.7
162.06866	6.6
163.04033	2.0
164.04787	1.5
174.03191	0.6
175.04025	1.1
176.03499	3.5
176.04813	6.3
177.04279	3.4
178.05110	21.9
179.05453	0.7
189.04341	0.9
190.05055	8.4
190.06322	0.8
191.05714	1.3
192.06633	2.7
204.06667	2.7
205.07491	2.6
206.04579	1.7
218.04636	2.1
244.83714	0.6
247.07187	0.8
253.08691	1.1
255.06371	0.6
269.22021	0.6
281.08423	0.7
283.06189	1.3
289.07260	1.7
290.51022	0.6
296.06677	0.7
297.07159	0.9
297.10104	8.9
298.08295	5.4
299.09219	2.3
311.11813	1.2
312.09848	2.0
312.12973	3.3
313.10803	16.5
314.11081	1.2
324.08765	0.8
325.09589	9.5
326.10205	1.0
337.12213	0.9
340.11966	1.3
341.11682	1.1
342.09790	0.7
352.11694	0.7
354.12836	0.9
400.11902	0.7
446.12543	1.5
448.17593	0.7
461.14874	2.0
475.18750	19.1
476.17197	100.0
477.17505	13.6
503.18317	9.8
504.18826	1.1
621.22754	1.0
639.23328	2.8
640.23206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10539	3.4
61.98832	13.8
71.27418	5.6
93.68417	3.0
97.97008	3.1
108.02167	4.1
109.02993	5.1
109.28848	3.8
121.02991	8.4
125.02449	6.6
135.04568	5.3
145.02957	7.4
150.05626	5.1
152.07175	5.5
169.01541	4.8
178.05095	7.6
237.05693	4.9
239.07176	6.4
252.08249	4.3
252.89731	3.7
255.06430	6.0
265.05063	22.8
267.06644	20.7
268.07361	12.5
280.07431	17.2
281.08191	10.1
282.09082	17.0
283.06110	22.3
283.09729	19.3
285.27612	3.4
295.09790	31.3
296.10413	9.0
297.11447	21.2
298.08508	13.7
308.06680	3.8
313.10898	11.5
326.10388	4.3
411.77783	3.8
430.13101	6.8
458.16055	11.2
460.17639	19.3
476.17230	55.0
477.17676	5.4
486.15579	10.9
502.15131	38.1
639.23474	100.0
640.23657	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	639.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.9
58.00595	2.2
58.39160	2.1
59.01384	28.0
61.98845	2.5
65.03951	2.6
71.01394	25.0
71.26043	3.0
71.26389	3.0
72.05376	2.1
72.99326	3.2
73.02948	4.8
76.10369	2.4
81.03461	3.7
83.01355	2.9
83.05032	6.4
85.02959	10.1
86.19085	2.3
87.00873	9.8
89.02443	10.6
95.05067	3.4
97.06585	4.6
101.02434	15.8
109.06599	5.5
111.08160	6.7
113.02447	8.3
119.03495	2.4
123.08222	2.7
125.09737	16.0
137.09724	3.3
145.05098	5.5
161.04596	5.3
163.11357	2.9
171.10294	58.4
183.13939	4.2
185.11768	3.0
201.13029	2.4
209.11844	48.1
211.13399	47.5
211.15363	2.9
212.13863	3.0
215.14539	12.3
231.13896	5.5
233.15489	45.3
234.15770	4.5
235.08238	10.0
249.14992	31.1
251.16504	3.5
253.09319	6.9
323.23743	2.5
331.26569	4.2
341.24896	3.3
359.25967	3.8
367.22751	3.7
375.25302	4.8
385.23825	29.9
386.24194	4.2
403.25012	42.3
404.25314	4.4
407.19412	2.4
418.84714	2.3
421.26181	14.5
485.23953	3.7
494.80490	2.7
611.34998	2.4
621.32837	100.0
622.32996	23.5
639.33936	42.0
640.34161	9.9
653.31421	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	640.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.1
61.98824	13.6
69.84614	3.0
71.26727	5.7
95.05038	3.9
109.02943	18.4
123.04538	11.0
125.02460	100.0
125.03339	7.3
126.02838	3.6
132.27573	3.3
135.04347	2.9
137.02477	13.9
149.02443	5.3
151.04063	13.5
161.02481	27.1
164.01289	3.7
169.01431	8.8
170.01794	4.2
175.04013	11.5
177.01987	5.6
179.03590	3.8
187.04047	6.9
188.04837	5.4
201.05597	4.4
203.07207	10.2
205.05074	7.6
229.05063	3.7
245.04564	5.9
245.08264	12.6
255.03127	7.2
273.04074	5.0
277.35196	3.4
281.04437	4.1
285.04028	4.5
287.05664	10.6
289.07217	55.6
290.07700	5.0
299.05823	5.4
339.08792	6.5
407.07742	60.5
408.08163	10.6
416.11719	3.9
416.18668	3.4
425.08923	46.3
426.09280	7.3
451.10211	17.4
577.13593	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	640.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98833	5.0
68.97927	1.9
68.98338	4.0
82.42722	0.5
98.21717	1.1
115.28426	0.7
133.05336	1.4
134.03763	2.4
135.04547	11.2
147.04524	1.6
148.05324	41.1
149.05728	1.3
150.01950	0.7
150.03134	0.7
176.03557	3.5
177.04294	1.0
178.05118	25.6
179.05515	1.3
187.23529	0.5
190.05130	11.0
195.10294	0.7
197.11798	0.9
209.11784	1.7
253.08788	1.0
295.27933	0.7
297.10083	11.7
307.94595	0.5
312.12454	100.0
313.12781	8.9
456.16507	0.9
474.17862	0.7
640.27051	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	641.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17773	1.0
56.13014	1.0
59.01382	13.7
65.35046	1.0
67.43217	1.2
69.05623	11.4
69.05951	1.0
71.01386	6.5
80.71502	1.0
89.02422	6.5
95.01414	1.6
101.02448	3.4
106.06650	1.0
107.01418	1.9
113.02476	2.5
119.03472	2.0
123.00910	14.0
125.02457	13.7
139.00352	3.0
141.01988	1.4
151.00343	11.8
167.03506	1.3
169.01431	33.1
169.02812	2.0
202.12370	1.1
211.02531	11.5
271.04663	6.9
309.12082	1.5
331.06702	100.0
332.07074	6.3
345.03412	1.2
372.58203	1.1
415.12332	1.2
658.33997	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	641.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21387	0.8
59.01382	0.8
65.44884	0.8
72.00909	0.8
93.03471	1.6
95.01408	1.6
95.16198	0.8
101.02440	0.9
107.05051	0.8
108.02198	6.2
108.13214	0.8
109.02995	1.1
112.45869	0.8
119.05049	2.4
121.02962	4.7
122.03730	2.3
123.04544	7.3
133.02994	1.1
133.05229	1.0
134.03743	2.9
134.06142	1.7
135.00931	1.0
135.04547	7.4
136.01678	100.0
136.07654	1.0
137.02014	3.2
147.04498	1.2
148.01625	1.7
148.05328	16.3
149.02472	8.9
149.06030	3.1
150.03246	16.2
151.00441	4.7
151.04024	97.7
152.04353	4.0
153.05560	1.1
162.05589	2.0
163.00383	1.4
163.04030	2.5
164.04828	0.8
165.05577	12.9
169.01414	1.4
174.05635	1.8
176.03552	1.8
176.07167	1.3
177.04312	1.0
177.06731	6.6
178.05139	11.2
178.99832	2.5
190.05177	4.6
191.03558	3.5
191.08217	0.9
195.10332	6.5
209.11876	5.7
217.06288	0.8
245.04463	0.8
253.09105	0.8
255.02992	1.2
294.13889	0.9
296.12878	1.0
297.09946	4.4
298.10593	1.4
300.02527	0.8
301.00064	1.2
301.03540	19.5
302.03787	2.0
310.10773	1.7
311.11005	1.4
311.14365	7.7
312.12433	40.7
313.12726	3.8
324.12360	2.2
326.10410	0.9
326.14093	1.7
328.11932	27.3
329.12183	2.5
337.12073	3.9
369.14456	2.1
402.13181	1.4
428.14752	1.7
431.19714	10.5
432.18469	4.0
460.17682	12.7
461.18286	1.2
471.15494	1.5
489.20374	24.9
490.20688	4.9
591.21350	3.2
623.23645	7.3
624.24060	1.6
641.11786	1.4
641.24951	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	641.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40678	0.4
61.98848	0.5
68.61441	0.4
69.20733	0.8
69.21143	3.0
74.28140	0.4
84.37630	0.4
88.57761	0.4
95.01431	0.7
98.22598	0.5
105.03503	0.6
107.05047	0.6
108.02179	5.9
111.16934	0.4
119.05044	1.9
121.02962	2.3
122.03754	0.9
123.04538	2.5
133.02963	1.6
133.05362	1.2
133.42099	0.4
134.03740	3.5
134.04425	0.3
134.06152	1.4
135.04556	4.0
135.29073	0.4
136.01677	89.2
137.01942	2.9
140.76277	0.4
146.06111	0.6
147.04556	1.1
148.01665	1.0
148.05324	12.1
149.02463	7.0
149.06093	4.2
150.03236	8.0
151.04025	100.0
152.04384	3.9
153.05591	0.9
162.05750	2.0
162.06776	0.5
163.04033	1.0
164.04820	0.9
165.05580	5.6
166.05984	0.5
174.05602	1.0
175.03992	1.0
176.03542	1.4
176.07176	1.0
177.04329	0.8
177.06721	5.3
178.05112	6.3
189.04277	0.8
190.05135	3.6
191.03523	0.9
192.06700	1.4
253.08684	0.6
254.11732	0.9
296.12811	1.0
297.10010	3.0
297.12723	0.4
298.10782	0.7
309.12451	0.5
310.10693	2.3
311.11395	1.9
311.14462	6.0
312.12390	23.7
313.09583	0.8
313.12909	1.8
324.12283	2.5
326.10532	0.5
326.14023	1.2
328.11932	8.1
329.12299	1.1
337.11951	2.9
369.14609	1.6
402.13605	1.2
413.12662	0.7
416.15164	0.9
417.16037	0.5
428.14932	0.9
431.19833	8.1
432.18704	2.3
445.15717	0.6
457.17819	1.6
460.17688	17.5
461.18002	2.1
471.15680	0.5
489.20355	26.9
490.20682	3.9
517.20215	0.5
591.21448	1.5
623.23779	5.2
624.24591	1.2
641.25031	3.4
641.35388	0.6
642.25586	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	641.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38601	2.0
59.01380	14.3
61.98825	6.0
75.79456	1.8
78.95919	2.4
80.05072	5.7
82.98425	1.9
94.06583	2.6
96.96025	2.5
100.34251	1.9
101.02450	2.2
104.05080	4.2
106.06641	2.9
107.03786	4.2
122.06136	43.6
122.06969	3.4
123.06407	2.3
125.02465	7.0
134.06123	11.7
148.04051	3.4
151.03978	2.6
152.07179	57.5
160.04112	3.6
160.06407	8.1
169.01466	5.2
173.79417	2.6
174.05637	5.4
187.94672	2.1
197.11792	2.3
209.11923	4.2
213.10335	38.6
225.10309	3.0
237.10167	2.6
239.11919	18.6
241.13467	17.8
245.10626	2.0
245.12988	9.1
246.20561	2.0
249.06752	2.5
251.11899	2.7
259.86011	1.9
265.09747	3.8
277.09998	2.6
285.12454	62.5
286.12747	5.5
293.09735	3.2
293.12860	13.5
295.11041	5.2
312.12674	2.7
313.12213	4.9
316.14728	3.8
323.10251	14.1
324.10971	2.4
328.11072	5.0
342.12570	5.4
343.13330	2.8
344.13983	2.8
344.58450	2.1
355.13052	6.4
356.13629	2.4
357.14868	4.3
358.15680	23.6
359.15970	3.4
384.13470	4.5
400.16629	17.2
412.16589	6.7
497.25708	2.9
518.19812	2.2
521.26062	2.7
523.23584	11.8
524.23981	3.9
565.24579	100.0
566.24915	18.3
568.23035	4.1
609.23566	96.0
610.23865	17.6
641.25983	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68053	0.8
53.77998	0.7
59.01388	10.4
61.98838	4.5
70.37645	2.3
78.95908	1.4
80.05065	9.3
92.05038	0.9
94.06613	2.6
104.05052	4.5
106.06617	3.5
106.63461	0.9
107.03770	5.0
120.04573	2.4
120.08186	2.8
121.05328	3.0
122.06134	45.3
123.06441	1.8
124.07658	1.0
132.04555	2.2
134.06133	15.4
139.02759	2.1
148.04060	3.7
150.05685	1.2
152.07181	55.1
153.07466	1.6
160.04063	2.3
160.06412	8.8
161.04805	2.4
164.06961	1.0
173.44467	0.9
174.05653	5.1
190.05057	2.8
195.24384	0.8
197.07135	1.8
211.08797	1.5
211.13506	5.2
213.10339	37.6
214.10585	2.0
214.12363	1.0
222.07886	0.9
223.08813	2.9
225.10356	2.9
226.11124	3.9
236.09494	0.9
237.10341	2.7
239.09616	1.9
239.11911	23.7
241.13472	19.3
242.13820	1.4
245.12997	9.7
249.06593	1.8
250.07074	1.0
251.11955	4.1
265.09775	3.4
277.09976	1.1
285.12463	72.3
286.12888	4.6
293.12949	11.3
294.13345	1.0
295.10992	6.5
297.12375	1.2
301.12775	0.8
313.11835	7.2
314.09308	0.9
316.14630	2.0
323.10318	11.9
325.11954	4.5
328.10873	3.8
328.14462	1.4
329.11441	1.1
330.12515	1.3
332.17383	1.1
339.09744	2.6
339.13477	1.1
340.14401	2.0
341.11166	0.9
342.12506	3.8
343.13104	4.3
344.13812	3.4
347.12671	0.9
355.13034	8.1
356.13965	2.0
356.17740	3.3
357.14926	4.9
358.15594	22.4
358.19855	1.7
359.16132	3.4
369.14474	1.2
370.11951	2.9
372.17032	1.3
377.18414	0.9
382.15973	1.4
384.13483	6.3
385.14017	2.0
396.13400	1.2
398.15027	1.8
400.16638	19.6
401.16953	2.0
412.16574	6.0
442.09167	0.9
493.23080	1.0
495.23773	1.1
497.25806	3.0
509.21909	1.6
521.25873	1.2
523.23578	16.8
524.23737	3.6
537.24860	1.6
541.24481	2.0
565.24591	100.0
566.25006	20.1
568.23083	5.3
569.22882	1.8
581.24066	1.3
581.66180	1.0
597.27179	1.1
609.23560	98.4
610.23932	17.6
641.26080	19.8
642.26373	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
67.41167	0.2
69.03444	0.5
69.67952	0.3
69.68356	0.7
71.01398	1.4
73.02975	0.2
80.79053	0.2
83.05022	0.3
85.02921	0.3
87.00879	0.4
89.02446	1.2
98.22444	0.3
101.02457	1.8
108.32500	0.2
113.02461	0.9
115.41762	0.2
119.03483	0.3
161.04559	0.6
165.12891	0.3
167.10838	0.3
167.14458	0.6
179.05629	0.2
183.13908	7.0
184.14394	0.2
193.12361	1.5
211.13414	100.0
212.13757	6.0
215.43445	0.2
235.08257	1.7
245.23529	0.2
253.09346	3.7
329.54111	0.2
387.25491	0.4
405.26456	0.4
429.21490	0.5
447.22415	4.3
448.22754	0.5
623.34711	0.6
641.35809	0.2
656.96442	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	641.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
65.31647	0.5
66.08557	0.4
69.03452	0.8
71.01385	1.1
81.22528	0.5
85.02965	0.5
87.74992	0.5
89.02438	0.6
101.02464	1.4
109.79723	0.5
113.02463	0.9
118.50851	0.5
139.71695	0.5
183.13892	5.9
193.12332	1.0
211.13408	100.0
212.13733	6.2
229.04079	0.6
235.08237	1.5
238.12312	0.6
253.09343	4.2
418.10175	0.6
418.56171	0.6
447.22437	4.1
623.34766	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	641.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33439	0.2
56.66825	0.2
59.01389	1.4
69.03455	0.3
71.01379	1.5
83.05032	0.2
84.13516	0.2
85.02950	0.4
87.00889	0.5
89.02450	1.2
98.21655	0.2
101.02454	1.3
104.94131	0.2
113.02455	0.7
119.03493	0.4
145.05118	0.2
155.10789	0.3
161.04578	0.4
165.12802	0.3
167.14407	0.6
183.13910	6.1
184.14310	0.4
193.12367	1.8
211.13411	100.0
212.13753	5.9
229.12071	0.3
235.08228	1.5
253.09311	4.3
289.20154	0.2
305.83112	0.2
387.25485	0.5
388.26089	0.2
405.26352	0.4
429.21274	0.6
447.22375	4.8
448.22717	0.3
601.63806	0.2
623.34418	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	642.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27436	1.4
61.98829	1.9
62.46208	1.2
66.11693	1.4
69.03442	1.8
71.28678	2.1
83.01379	2.1
88.98800	1.7
93.07127	1.1
97.02959	4.2
108.08471	1.2
109.02958	10.6
119.08630	1.4
119.88077	1.1
120.01242	3.3
121.02991	1.8
121.06578	2.4
123.00896	2.1
123.04540	13.0
123.69418	1.3
125.02458	28.0
131.60205	1.5
135.04546	2.9
136.01646	1.4
137.02423	1.8
145.02960	3.6
146.03641	2.1
149.02425	5.3
151.04008	12.2
152.04352	1.2
159.04474	2.6
161.02443	2.4
161.06085	4.2
161.09698	4.3
162.03305	1.8
163.03995	1.8
163.07671	2.1
169.01433	55.2
170.01782	3.0
177.05585	1.1
187.04019	2.7
190.02318	1.3
195.10310	1.4
203.07156	4.3
205.05116	8.5
205.08701	15.0
205.52626	1.3
207.10251	5.1
209.11877	3.3
211.02359	1.5
213.05821	1.3
217.08762	6.4
231.02867	1.5
245.08157	3.3
246.08842	2.4
247.06053	5.3
259.09778	2.8
261.89053	1.3
289.07092	2.6
303.05060	4.8
307.13348	1.6
317.53381	1.5
325.14404	6.0
351.12329	11.2
352.12595	1.3
369.13443	100.0
370.13733	9.5
521.14532	40.2
522.14563	5.8
523.15625	1.6
642.17004	2.3
643.29327	2.2
648.51544	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	642.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98167	0.7
57.07993	0.7
59.01373	1.5
61.98816	0.8
65.00300	0.8
65.58495	0.8
66.03676	0.7
67.01890	1.1
69.03443	1.2
69.14237	0.7
70.82458	1.6
71.01398	6.2
73.02929	0.9
79.01908	1.4
79.43410	0.6
80.66513	0.8
84.62678	0.7
85.02921	1.7
95.01395	1.4
97.02956	1.0
99.92609	1.6
101.02460	1.5
107.01405	15.9
109.02946	0.8
111.00894	2.7
113.02441	1.6
116.92875	11.3
117.92847	1.0
123.00905	10.8
123.04583	1.6
124.01665	2.3
125.02462	72.3
126.02827	1.5
126.42675	0.7
129.85722	0.7
132.02180	19.5
133.02916	1.1
134.03784	3.1
135.04538	7.4
136.98848	1.3
137.02437	2.4
139.00362	4.2
140.01192	3.3
141.01945	1.2
147.04541	18.1
148.05367	3.7
149.06097	1.0
150.03258	7.1
151.00377	9.8
151.04042	4.3
152.07167	1.6
154.73529	0.7
161.02483	1.9
165.05595	4.1
167.03558	1.5
168.00670	4.6
169.01445	100.0
170.01775	3.3
175.03986	1.1
176.01176	2.5
177.01973	3.3
177.04317	1.1
178.05147	4.9
179.03589	0.8
183.03017	1.0
190.05174	0.9
191.03508	4.3
193.01402	1.1
194.99355	9.4
211.02501	2.0
241.03561	2.3
270.98862	2.0
271.04755	1.2
298.98282	6.2
299.99167	3.2
312.99893	1.8
313.05695	57.5
314.00812	4.5
314.06345	3.4
315.01538	2.8
328.11935	13.8
329.03067	3.0
329.06674	0.7
329.12302	1.4
339.03574	11.8
360.85880	0.8
405.88956	0.7
450.13901	1.4
490.13910	1.2
505.09943	57.4
506.10309	8.7
642.18304	68.5
643.09454	10.3
643.19073	13.1
671.18744	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	642.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.4
59.01382	0.3
61.98835	1.1
70.77531	0.7
71.01382	0.4
80.73563	0.3
91.05545	0.4
98.22082	0.3
107.05052	1.9
109.02931	0.4
117.03467	0.5
121.02957	1.0
122.03751	2.6
123.04556	2.6
124.01705	0.3
125.02483	1.1
133.02950	3.5
134.03741	1.3
135.04541	56.4
136.04074	0.2
136.04909	2.0
137.02464	0.8
144.38902	0.3
147.04507	0.3
148.05339	1.0
150.05658	1.9
152.07190	27.6
153.07555	0.9
154.02718	0.8
160.04198	0.4
161.02463	24.1
162.02814	0.7
169.01440	1.6
178.05107	9.6
179.05429	0.7
180.06628	1.4
185.11852	0.3
188.19231	0.3
190.05167	0.6
192.06720	1.2
197.11879	0.5
209.11852	0.4
299.98935	1.4
300.99533	1.3
314.10370	100.0
315.01514	1.0
315.10724	9.0
316.01794	1.0
458.14584	1.3
476.15491	1.6
483.21518	0.3
530.77094	0.3
546.49811	0.4
642.09137	0.4
642.25751	7.3
643.26318	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	643.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30996	0.8
71.01408	0.3
80.34894	0.5
82.59495	0.3
105.89465	0.3
108.02195	0.4
109.02979	0.3
109.93716	0.3
116.92847	0.7
121.02988	0.3
125.02442	1.1
132.85002	0.3
134.03783	0.3
140.68240	0.3
149.02313	0.3
150.03250	0.4
160.01630	1.0
169.01443	1.2
175.04007	1.5
193.05087	0.4
242.99341	1.6
258.01645	0.4
270.98859	36.6
271.99149	2.5
283.99625	0.6
285.00510	1.6
286.01175	0.5
298.98364	53.0
299.98798	4.0
300.02539	0.5
301.03601	0.5
306.07541	0.5
313.00040	2.2
313.05673	1.7
314.00720	72.0
315.01086	5.4
329.03058	100.0
330.03406	8.7
447.13007	1.9
465.06815	0.8
643.09644	0.5
643.19989	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	643.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35381	0.7
62.62385	0.8
63.23184	0.7
66.64426	0.9
67.01882	1.1
69.03459	1.3
71.01395	4.4
71.01700	0.7
73.04089	0.7
79.01880	1.0
82.17019	0.7
83.01384	0.8
85.02972	1.0
93.03481	2.4
95.01392	2.0
96.96016	1.6
107.01392	11.1
109.02962	2.2
111.00879	1.8
113.02459	1.2
123.00891	10.2
124.01691	1.6
125.02464	53.3
126.02795	1.2
136.98833	1.1
137.02435	3.9
139.00325	4.3
139.04002	1.8
140.01154	3.2
141.01903	1.5
151.00369	7.1
159.04543	1.5
166.04463	0.8
166.99850	1.9
167.03473	1.1
168.00648	3.8
169.01445	64.5
170.01830	2.3
177.01985	1.7
183.03012	2.9
211.02441	2.5
242.99319	2.2
256.75848	0.8
258.01645	1.6
269.98059	3.1
270.98859	36.8
271.99344	3.0
279.70963	0.9
283.99600	2.6
285.00446	7.3
286.01355	4.6
289.03583	1.1
297.97592	5.9
298.98361	58.6
299.99127	39.4
300.99722	5.7
313.00018	16.8
313.05658	35.1
314.00720	58.6
314.11539	4.5
315.01425	29.8
315.12219	1.9
316.01898	2.5
328.02219	2.4
329.03043	18.7
329.06100	0.9
329.14038	3.4
330.03296	1.5
340.30783	1.1
450.14261	1.0
451.14487	1.9
477.06583	4.0
491.08517	1.8
514.98456	0.9
628.06873	1.2
643.09387	100.0
643.20221	29.6
644.09680	15.9
644.20764	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	643.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98808	1.6
63.90554	0.5
64.37997	0.6
65.00313	0.9
69.03448	1.5
71.01399	3.2
71.26927	0.9
79.01891	1.2
83.01415	1.4
85.02940	0.8
85.58901	0.6
87.06979	0.6
89.21047	0.6
90.62076	0.7
95.01368	1.9
96.96033	4.5
97.02941	1.4
101.02405	0.8
107.00747	0.9
107.01408	10.1
108.02183	0.8
109.02924	1.8
111.00874	2.2
113.02466	1.1
121.02956	1.1
123.00906	9.4
123.04550	1.3
124.01658	2.0
125.02464	39.4
126.02800	0.9
127.00323	0.7
135.04541	0.8
136.98875	0.8
137.02464	1.0
138.03183	0.8
139.00352	2.3
139.03984	3.0
140.01128	2.3
141.01897	1.0
149.02353	0.8
151.00389	10.6
153.01993	1.3
163.00366	1.0
167.03419	1.0
168.00607	2.7
169.01445	40.7
170.01817	1.2
175.03963	1.1
177.01915	0.8
178.99817	1.7
183.03011	8.7
184.03340	0.8
199.03987	2.1
203.03542	1.0
211.02443	1.3
215.03450	0.7
226.02698	1.7
227.03447	2.6
243.03027	5.7
254.02130	2.1
255.02980	4.7
256.03259	0.9
271.02490	31.0
272.02872	2.9
285.03897	2.8
287.01920	2.5
298.98553	0.8
299.02002	29.0
300.02756	32.3
301.03363	5.9
303.05237	1.0
313.05759	17.0
314.00665	1.3
314.04202	9.4
315.01508	3.4
315.05035	21.5
316.02100	5.5
316.05414	1.4
327.07108	2.7
329.03079	1.1
329.06528	6.3
331.04507	2.5
359.15024	1.0
473.07175	0.7
477.10016	1.3
493.09631	1.5
628.10315	1.2
643.12726	100.0
644.02881	1.3
644.13080	18.5
644.22363	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	643.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
65.00311	0.8
66.86762	0.6
67.01886	1.2
69.03449	1.7
71.01384	4.3
72.99297	0.7
73.02943	0.8
79.01910	1.0
83.01401	0.9
85.02946	1.6
93.87338	0.5
95.01406	2.0
97.02991	1.0
101.02443	0.7
107.01402	12.3
107.02110	0.5
109.02991	0.6
111.00893	1.8
113.02464	1.4
121.02957	0.6
123.00905	10.7
124.01712	1.4
125.02464	65.0
126.02806	2.0
127.00404	0.7
136.98839	1.2
137.02533	0.8
139.00409	3.8
139.03990	0.6
140.01184	2.2
141.01997	0.9
151.00391	8.7
153.01942	0.7
154.85535	0.6
160.01743	1.4
165.01979	1.4
165.64421	0.5
166.99817	0.9
167.03439	0.8
168.00667	4.4
169.01445	83.7
170.01790	3.3
175.04007	1.9
179.03592	1.0
183.03006	2.2
199.04143	1.3
211.02489	3.2
215.03426	0.9
226.02759	0.8
227.03542	1.7
241.03586	2.5
242.02203	3.4
243.02989	20.6
244.03372	0.8
254.02136	0.7
255.03143	1.0
257.04623	5.4
269.55795	0.6
270.01770	4.7
271.02466	28.0
272.02896	2.7
285.04056	11.4
286.04822	4.0
299.02002	13.3
300.02747	10.1
301.03476	0.8
313.05725	70.2
314.04251	33.0
315.05060	15.1
316.02130	1.6
316.05508	1.0
328.06766	0.6
329.06693	24.5
330.06894	2.1
371.07458	0.8
481.14832	2.0
491.08316	1.2
628.10449	1.7
643.13031	100.0
644.13275	15.6
644.23926	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	643.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58124	1.2
61.98837	73.4
70.27531	1.0
71.01427	1.1
75.00907	0.9
78.47893	1.0
79.10213	0.9
85.02956	1.5
93.03471	2.4
98.21712	1.9
105.03413	0.9
109.02925	1.6
121.02982	1.2
123.00923	2.7
125.01529	1.7
125.02467	27.6
126.02809	2.3
136.01616	1.5
137.02446	3.8
139.04047	1.5
140.01147	1.3
151.00348	3.0
151.04053	4.9
161.02467	5.0
165.01990	2.7
166.61472	0.9
167.03499	1.4
168.00676	1.4
169.01445	16.7
170.01831	2.1
171.95387	1.3
175.04033	1.1
177.01958	5.3
199.04001	2.3
226.16364	1.1
227.03568	3.1
229.17703	1.1
240.04312	2.8
241.04953	1.0
242.02220	2.9
243.02937	6.3
244.83371	1.0
246.41739	1.1
255.03073	1.2
257.04611	19.1
268.03772	2.7
269.04504	1.8
270.01675	1.9
271.02505	41.7
272.02914	2.2
285.04074	19.0
286.04837	16.8
287.05402	1.9
299.02063	1.8
305.06784	1.7
313.05701	17.2
314.04324	44.1
315.04788	3.7
329.06693	100.0
330.07080	9.1
330.13339	2.7
376.89365	1.1
420.34375	1.2
458.37198	1.2
465.06699	2.8
491.12555	2.2
625.17511	5.5
631.46869	1.2
643.12732	27.7
644.13281	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	643.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
62.55228	0.7
69.03444	0.9
71.01380	3.9
73.86983	0.9
79.01924	1.1
83.01407	1.4
85.02952	0.9
95.01395	1.6
98.21736	1.5
101.02463	1.5
107.01405	9.0
109.02958	0.9
111.00899	0.9
113.02446	1.4
116.92901	0.9
123.00903	7.9
125.02463	51.6
126.02782	2.0
136.01718	0.9
137.02541	0.9
139.00394	2.8
140.01147	1.4
141.01883	1.1
151.00392	8.6
151.04039	1.1
153.01917	1.6
165.01942	1.7
166.15862	0.7
167.03491	0.9
167.58516	0.7
168.00671	4.2
169.01447	63.6
170.01732	2.4
183.02977	1.5
193.01472	1.6
199.04025	1.5
211.02495	3.3
219.73212	0.7
225.02197	1.1
227.03496	2.2
241.03467	1.5
242.02155	1.8
243.02962	3.7
255.03117	1.0
256.03516	0.8
257.04626	8.9
268.03748	0.8
269.04425	1.3
270.01718	1.8
271.02475	23.3
271.05322	1.4
272.03000	1.8
285.04071	12.6
286.04849	10.3
287.05524	1.4
289.07245	0.9
299.02118	5.1
300.02676	3.8
313.05765	30.7
314.04272	20.5
315.04947	4.3
329.06671	17.6
329.10565	1.0
330.07141	1.6
419.79111	0.8
628.08795	0.8
643.13110	100.0
644.13513	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	643.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
60.84639	0.7
61.98837	5.4
69.03449	0.9
71.01392	5.8
72.99330	0.8
73.02935	1.0
73.39706	0.6
81.03471	1.1
83.01367	2.0
85.02954	2.2
87.00902	0.8
87.27556	0.7
91.14465	0.8
91.62294	0.7
95.01368	1.5
95.02328	0.7
97.02989	1.4
98.22552	1.8
101.02453	2.9
107.01401	12.4
111.00881	2.8
112.99737	0.8
113.02425	1.1
121.02905	0.7
123.00890	6.8
125.02463	63.7
126.02816	1.4
132.02167	2.4
133.02963	1.7
134.03752	11.3
135.04527	1.1
136.01691	1.0
137.02403	2.5
139.00343	3.8
139.04059	2.1
140.01158	1.8
149.06078	2.9
151.00371	11.2
151.04034	0.9
160.01675	11.5
161.02481	1.0
165.01974	1.6
167.03423	0.9
167.30568	0.7
168.00626	3.2
169.01445	73.3
170.01830	1.4
172.68756	0.8
175.04008	16.7
178.02707	2.3
179.03391	0.9
183.02960	3.2
193.01416	0.9
193.05078	10.3
199.04076	2.1
211.02446	3.2
225.39558	0.7
227.03555	2.1
241.03516	1.2
243.02934	5.7
255.02982	4.9
265.07141	2.2
270.01834	1.2
271.02490	12.5
285.03848	1.5
299.01987	33.5
300.02652	7.5
301.03302	1.3
312.11902	0.9
313.05804	30.0
314.04306	35.5
315.04993	11.8
322.07123	2.1
329.02963	1.7
329.06686	13.3
337.09464	3.9
372.67194	0.8
386.52045	0.8
408.13980	0.8
444.14407	1.4
481.14944	2.3
541.15698	2.5
559.16626	4.4
560.16461	0.9
581.21954	0.8
583.16602	1.1
601.17542	3.1
607.20923	7.3
608.20905	1.3
643.12946	100.0
644.13202	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	643.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79263	1.0
59.01371	1.0
61.98836	21.3
69.20285	3.0
69.20711	4.0
82.95421	1.0
98.22536	1.8
100.93246	0.9
123.00903	1.2
123.04549	1.3
125.02402	2.0
134.03726	0.9
135.04620	1.0
136.01674	9.7
137.02061	2.2
145.02942	1.2
148.05350	1.6
149.02394	1.3
150.03195	2.8
151.04039	9.5
152.04376	3.3
169.01434	2.8
182.37404	0.9
195.06755	1.0
197.11848	1.3
209.11897	1.5
242.99324	2.1
243.03209	1.0
243.99986	1.3
250.33487	0.9
270.98883	24.6
271.02017	2.1
271.99341	1.9
298.98355	20.7
299.51419	0.9
299.99161	100.0
300.02612	3.8
300.99545	6.9
312.12405	1.4
313.00037	1.9
313.12729	1.9
314.00757	13.9
315.01508	75.0
315.04803	3.1
316.01938	6.3
326.13910	1.5
433.20081	1.8
444.03445	1.5
455.17484	1.1
459.05515	1.3
462.18350	1.5
491.20905	3.6
493.14847	1.8
581.23364	0.9
625.24640	1.3
643.16693	70.2
644.16998	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	643.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32536	0.9
51.45363	1.0
52.33037	0.8
55.01890	2.0
57.03448	6.7
58.47830	0.9
59.01378	8.3
60.00049	0.9
64.30447	1.0
67.01910	1.6
68.99827	1.6
69.03448	5.7
70.45243	2.9
70.45587	1.2
70.55837	0.9
71.01389	19.3
72.99329	1.9
73.02955	13.3
75.00877	2.1
78.95916	1.5
79.01902	1.4
81.03458	1.6
82.70434	1.0
83.01396	5.3
84.02157	1.1
85.02959	60.8
87.00885	100.0
88.01246	1.1
95.01387	10.6
95.01849	0.9
96.96035	2.0
96.97026	1.1
97.02964	24.4
97.03591	1.3
99.00909	2.3
101.02448	2.5
103.04027	9.7
109.02976	1.7
111.00915	3.1
113.02460	48.3
114.02744	1.0
115.00385	13.0
115.04091	1.6
125.02471	1.6
127.04076	1.9
129.01962	1.5
131.03522	1.0
139.00377	2.3
142.41542	0.9
157.01483	11.0
173.04552	2.5
175.02501	72.2
176.02844	2.3
217.03580	23.1
218.03900	1.0
245.25607	1.1
274.01172	1.0
275.02118	3.7
299.99271	3.4
300.99884	6.7
303.07266	28.2
304.07663	2.2
317.45148	0.9
321.08261	11.3
321.11218	1.1
372.72681	1.1
381.10660	1.2
463.05463	4.4
479.10522	10.2
497.11649	1.6
539.12476	19.1
540.12970	2.4
580.92712	1.0
623.09418	1.1
625.16254	12.0
626.16974	2.5
643.17603	34.4
644.18030	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	643.2037
Annotation	Hydroxyornoside
Peak:m/z	Relative Intensity
50.68218	0.5
59.01371	1.4
61.98823	0.6
65.00327	0.7
67.01885	1.4
69.03454	1.0
69.10522	4.0
71.01369	0.9
71.44075	0.4
72.02523	0.4
72.99297	0.6
76.96747	0.5
79.01888	1.3
81.03468	0.9
83.01397	0.9
85.42452	0.4
86.07063	0.4
89.63725	0.4
95.01411	0.5
95.14103	0.4
97.02985	1.3
107.01400	49.1
108.01739	1.5
109.02971	0.8
111.00891	2.9
116.36993	0.4
121.02962	1.1
123.00880	4.3
123.04506	0.6
124.01676	5.2
125.02459	89.3
126.02790	2.5
127.00367	1.4
135.04506	0.5
136.98802	2.2
137.02496	1.1
139.00388	3.8
139.04024	11.2
140.01189	5.1
140.04416	0.5
151.00383	1.9
159.04573	2.2
160.05263	0.7
161.06114	1.3
165.77394	0.5
166.99927	0.5
168.00653	13.5
169.01442	100.0
170.01767	3.0
175.05614	0.5
175.07666	1.2
181.01463	0.6
183.03003	36.3
184.03384	1.1
197.04565	0.8
211.02477	3.6
222.86725	0.5
243.03073	0.6
271.02371	1.0
271.04831	2.4
271.07092	0.4
285.03928	0.6
297.11487	0.8
300.02643	1.3
303.05057	0.7
313.05869	0.9
315.05078	2.1
329.06851	0.5
481.15103	56.7
482.15482	7.6
643.20404	92.8
644.20770	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	643.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02077	0.5
59.01374	0.9
65.00327	0.6
66.78817	0.5
67.01891	1.5
69.03455	0.7
69.55012	2.9
71.01390	3.2
73.02977	0.7
73.87233	0.7
79.01914	1.5
83.01408	1.0
83.15940	0.5
85.02973	1.0
87.00904	0.7
95.01406	1.8
97.02966	1.1
101.02460	1.4
107.01408	10.3
107.02077	0.9
109.02959	0.7
111.00906	2.4
111.58525	0.5
120.12505	0.5
121.02956	1.3
123.00896	12.7
124.01682	1.5
125.02464	50.5
126.02777	1.4
127.00379	1.0
129.61455	0.5
136.98814	1.6
137.02425	0.7
139.00403	5.0
139.04002	1.5
140.01187	5.1
141.01955	1.7
149.02444	0.9
150.03273	1.4
151.00383	8.0
154.99828	0.5
158.03835	0.8
159.04547	2.7
160.05333	5.3
160.55438	0.5
161.06171	2.7
163.04001	1.6
166.99892	0.9
168.00650	5.6
169.01443	63.4
170.01791	2.0
171.04477	0.5
173.06116	0.9
175.07677	3.6
177.05704	0.8
178.06377	0.9
179.03537	1.1
183.02937	3.7
193.01474	0.6
193.08667	0.7
211.02553	1.4
223.02425	1.2
297.06201	1.8
313.05679	16.0
313.09256	1.2
314.06116	1.4
315.12625	2.9
327.07281	1.7
329.13837	3.4
377.23392	0.6
412.52972	0.5
643.20349	100.0
644.20673	18.2
644.31769	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	643.204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08858	0.3
52.50795	0.3
56.11859	0.3
59.01352	1.1
61.98811	0.4
65.00316	0.3
67.01895	1.6
69.03437	0.8
71.01343	1.2
72.99293	0.7
79.01900	2.6
83.01334	0.8
83.05432	0.3
86.98325	0.4
89.02435	0.5
94.89934	0.3
95.00858	0.5
95.01398	6.2
97.02927	0.8
98.22563	1.2
107.01394	2.3
109.02951	0.6
110.00066	0.4
111.00905	3.6
121.02934	0.4
123.00903	25.5
124.01606	1.8
125.02461	15.5
126.02753	0.5
127.00328	1.1
136.98828	2.5
137.02388	1.0
138.99350	0.4
139.00397	8.0
139.03943	1.0
140.01189	3.9
141.01964	2.4
151.00375	2.8
153.01939	0.4
156.84798	0.3
166.98474	0.5
166.99876	10.4
168.00624	3.1
169.01442	9.8
181.01390	0.8
182.02162	0.4
183.03003	2.0
195.02982	1.9
228.86501	0.5
237.01131	0.4
265.08881	0.8
268.07394	0.7
293.08142	0.9
294.09006	0.6
295.09717	1.3
311.09286	1.7
312.09937	0.6
326.11600	3.6
327.12335	5.6
328.12555	0.6
341.14044	0.8
356.89703	0.3
360.92172	0.5
370.10583	0.6
435.10580	0.4
449.12317	0.6
450.13171	0.5
460.11850	1.0
461.11984	0.4
463.10477	3.4
477.11765	0.8
478.12720	19.9
479.13297	2.8
493.15088	100.0
494.15384	14.1
643.20386	22.8
644.20782	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	643.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.1
61.98818	0.8
64.51239	0.4
65.00323	0.4
67.01881	1.2
68.82835	0.4
68.99811	0.9
69.03451	1.2
70.88959	0.4
71.01390	4.9
71.27184	0.6
73.02958	0.6
79.01895	1.4
81.83225	0.4
83.01370	0.8
85.02957	1.4
87.00903	1.0
89.02454	2.4
95.01399	1.6
97.02953	1.3
98.20672	0.4
101.02454	2.4
107.01404	10.9
109.02960	1.4
110.00119	0.5
111.00911	3.6
113.02473	2.2
119.03495	0.7
121.02086	0.5
121.02973	12.8
123.00894	15.2
123.04523	0.7
124.01649	1.4
125.02461	51.2
126.02795	1.8
127.00407	1.1
134.03761	0.8
136.98817	1.9
137.02516	1.0
139.00381	6.5
139.03972	1.0
140.01190	5.2
141.01959	2.3
147.04552	1.0
149.02437	0.5
150.03217	1.6
151.00380	9.2
151.04008	0.9
153.01961	1.3
154.99878	0.5
158.03737	0.7
159.04532	2.8
160.01653	0.6
160.05296	5.7
161.02400	0.6
161.06055	1.8
163.04027	1.8
164.04768	0.9
165.05273	0.5
166.99843	1.2
167.03450	0.5
168.00670	6.1
169.01443	64.4
170.01793	3.1
173.06085	1.2
175.03908	0.5
175.07669	4.3
177.05684	0.6
178.06383	1.2
179.03568	0.8
179.05566	0.5
183.03069	3.8
183.04578	0.6
191.03479	0.6
191.78174	0.4
211.02493	1.3
223.02505	0.5
241.03505	1.1
253.03725	0.5
267.31424	0.4
270.98883	6.9
271.02145	0.8
287.81119	0.4
297.06204	1.6
298.98395	9.2
299.98819	0.8
300.02676	0.5
311.09341	0.6
313.00116	0.7
313.05664	14.6
314.00702	15.1
314.06073	0.9
315.01160	1.1
315.12427	2.7
327.07291	1.8
329.03064	20.0
329.13980	3.3
330.03461	1.8
341.13962	0.8
599.09137	0.6
643.20349	100.0
644.20685	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	643.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01668	0.5
61.98822	2.2
64.93916	0.5
65.00349	0.7
67.50609	0.6
69.57517	2.7
69.57924	0.9
71.12910	0.6
93.63515	0.8
95.01360	0.6
98.34634	0.6
100.17510	0.7
107.01381	1.8
108.51147	0.7
109.02949	1.0
117.03516	0.8
125.02460	0.9
128.37172	0.7
132.57536	0.7
133.02956	1.8
145.02979	1.0
151.00372	3.2
152.07219	0.7
155.05107	0.7
161.02455	1.0
163.00450	0.8
169.01459	0.8
171.04539	1.9
173.02405	0.6
175.04002	1.2
187.03995	1.0
197.11780	2.2
199.03999	6.4
201.01968	1.5
209.11890	1.4
215.03543	3.2
226.02721	2.8
227.03584	4.8
243.02998	8.3
254.02299	3.1
255.02962	3.2
271.02509	88.6
272.02951	7.0
282.01874	0.9
299.02002	100.0
300.02710	42.4
301.03406	8.0
313.03580	0.8
314.04358	1.4
315.05133	87.1
316.05475	6.2
319.22903	2.7
355.31027	0.7
355.35330	0.8
377.20023	0.6
477.10379	1.2
558.13727	1.0
628.18054	9.7
629.18591	1.5
643.20374	78.9
644.20667	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	643.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33700	0.9
59.01391	2.7
59.20600	1.0
61.98833	1.2
62.19563	0.9
65.00340	1.1
65.13999	0.8
71.01377	2.8
74.63245	1.0
83.05025	2.4
89.02454	2.6
101.02480	2.3
129.68169	0.9
141.67664	1.2
151.00386	1.9
163.11316	1.3
165.61482	1.2
169.01447	2.3
169.12320	2.9
171.10356	1.3
197.11850	46.3
198.12177	1.7
199.03885	1.1
199.13382	1.9
201.02173	1.2
209.11850	35.9
210.12231	1.6
227.03497	1.1
227.12923	11.9
235.08270	1.8
243.02925	7.7
253.09235	3.8
254.02194	1.4
255.02992	15.7
271.02496	35.6
272.02948	2.9
299.01996	6.6
300.02777	100.0
301.03207	7.6
315.05133	89.3
316.05484	8.0
433.20691	1.3
459.09167	2.4
463.21460	1.3
477.10468	2.0
643.20380	26.2
644.20801	3.9
650.60419	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80854	1.5
61.98832	6.2
67.01894	3.4
71.26522	2.6
95.01401	2.3
109.02972	5.0
111.00903	2.7
123.00932	11.4
125.02462	10.1
127.09911	1.8
136.01683	4.8
137.02470	29.8
139.00401	3.7
145.03047	1.9
147.00778	1.7
149.02467	2.2
149.06108	2.1
150.03212	2.1
151.00400	6.6
151.04060	10.1
152.01051	2.3
164.01221	3.0
165.01950	100.0
165.05629	2.7
166.02719	18.6
166.99899	4.7
167.03435	2.1
169.01436	4.5
177.45038	1.7
179.03511	18.0
180.04295	55.5
181.05095	23.0
194.05867	3.9
195.03024	4.9
195.06650	69.4
196.06989	2.9
205.05228	2.9
210.05365	9.2
211.05933	1.8
225.07710	48.2
270.98923	12.5
271.02496	2.1
298.98395	15.3
299.02090	7.8
299.99173	58.0
300.02457	4.2
300.99524	4.9
301.03482	3.5
313.00082	2.0
314.00769	6.6
315.01553	38.7
315.05011	3.5
316.02011	3.2
327.12360	2.5
328.22195	1.9
359.11481	1.9
387.10605	2.9
387.14774	5.6
403.14221	2.2
417.15662	25.0
418.15887	2.2
444.03372	2.1
463.10483	2.0
478.13040	7.9
491.20911	3.1
493.15152	41.1
494.15475	4.2
595.12769	2.6
595.22009	32.3
596.22034	7.3
643.16699	42.1
644.17163	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	643.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38466	1.2
63.39133	1.1
66.60580	1.0
69.03467	1.1
69.27348	8.9
80.05043	2.9
93.88824	1.0
94.06620	4.5
96.99346	3.1
103.05806	1.2
104.05093	2.3
106.06649	2.4
107.03780	10.2
118.06668	1.3
120.08205	13.4
122.06134	84.2
123.06551	2.4
124.07709	1.8
125.02461	3.6
132.04573	2.1
134.06155	8.4
137.04871	1.3
139.02740	2.8
152.07187	100.0
153.07541	2.5
160.04115	1.9
164.03482	1.3
164.07175	1.2
166.03609	1.3
166.05066	1.3
169.01445	4.3
190.05081	2.1
197.11879	4.8
202.33110	1.1
209.11868	4.6
211.08745	1.0
211.12572	3.0
221.10857	1.3
223.08748	14.7
224.09550	6.1
225.10336	4.4
227.03563	2.7
235.12399	3.5
236.09663	1.7
237.10374	17.8
238.11153	7.6
239.11890	17.1
240.12132	1.2
241.13524	1.6
245.13036	1.5
245.85878	1.2
249.06546	1.5
250.07434	1.7
251.08226	2.6
251.11984	10.1
255.02989	5.5
263.08310	3.5
264.09024	6.9
265.09781	7.8
267.11499	1.5
271.10785	5.6
277.09897	2.6
278.10583	1.9
279.11404	28.4
280.11917	3.8
281.12943	3.0
283.10925	3.5
284.03287	4.8
285.03992	2.3
291.11377	5.9
292.12271	1.6
295.11020	3.1
295.14639	1.2
313.11911	1.5
323.10477	3.0
324.11316	1.6
325.12027	4.0
355.13107	3.2
355.68478	1.2
360.17148	3.1
367.03131	3.3
374.19003	1.6
376.20502	2.0
388.16626	2.1
389.17517	1.5
400.20444	1.2
402.18253	31.4
403.18750	5.1
404.19781	6.0
416.20181	2.1
417.20477	1.7
444.19293	16.2
445.19846	3.1
446.16803	1.3
447.17941	3.0
448.18747	32.0
448.24588	2.2
449.19461	2.3
460.19061	2.0
461.19763	1.7
488.18323	17.0
489.19193	9.6
490.19543	1.7
499.27112	2.1
501.10577	3.6
507.20306	1.2
508.20688	1.7
520.20892	21.8
521.21417	6.2
523.27087	1.9
525.25269	7.1
526.25714	1.3
567.26251	16.5
568.26587	2.7
569.24292	1.5
570.24713	3.1
571.25555	1.7
583.10089	2.3
583.26215	1.8
599.29382	2.5
611.25098	36.6
612.25830	6.0
643.27832	66.9
644.28131	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	643.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.8
69.71639	8.0
77.61644	2.0
78.95969	2.0
80.05052	2.9
83.12045	1.8
94.06586	5.5
106.06607	3.8
106.19729	1.8
107.03779	12.1
116.92884	2.3
120.08201	26.9
122.06134	83.6
123.06405	2.6
124.07645	2.0
132.04543	2.6
134.06131	9.7
152.07185	90.2
153.07558	2.5
164.07062	2.4
190.05067	7.6
197.11781	8.1
209.11876	5.1
210.07857	2.1
211.12640	2.6
223.08751	9.4
225.10297	4.0
227.12903	2.9
235.12372	2.9
237.10359	16.2
238.11075	5.4
239.11885	9.0
245.12961	6.3
249.06612	2.1
249.10373	3.5
251.08197	3.6
251.11975	6.2
263.08218	6.6
263.11798	2.2
264.09061	15.4
265.09933	10.4
267.11346	2.8
271.10706	2.7
276.09067	3.6
277.09836	4.6
278.10641	4.2
279.11377	45.6
280.11929	6.9
291.11368	9.1
292.12125	3.2
295.10876	5.8
302.17978	2.3
305.09146	2.1
311.14026	2.9
313.11917	3.3
323.10428	8.7
324.10992	2.6
325.11993	3.5
355.13132	2.7
360.17194	4.6
389.17422	2.5
402.18314	13.9
417.20572	2.4
444.19235	18.4
445.19818	3.8
446.17245	2.6
448.18719	6.6
471.17227	2.7
488.18246	32.7
489.19083	22.7
490.19461	3.2
520.20929	47.3
521.21619	9.6
525.24585	2.7
567.26154	42.9
568.26453	7.0
593.24500	2.3
611.25110	100.0
612.25696	15.0
643.27600	28.2
644.27710	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	643.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39390	3.1
59.01385	6.4
61.98835	4.0
71.01399	5.8
71.48885	2.7
78.11584	3.1
80.05065	3.8
83.05019	3.5
85.02985	3.5
89.02461	3.7
94.06628	5.1
98.22386	3.9
101.02498	3.6
107.03807	6.5
108.95255	3.3
120.08194	19.9
122.06141	67.4
130.23340	3.1
134.06110	8.3
139.02815	3.2
152.07179	60.6
159.58617	3.8
161.02516	3.4
163.11284	4.9
169.12282	6.4
190.05304	3.5
197.11853	100.0
198.12259	4.9
199.13202	2.9
209.11859	93.8
210.12299	4.8
211.13318	4.5
223.08760	7.8
227.12944	23.3
231.82477	3.0
235.08278	3.9
237.10371	12.3
238.11023	3.6
239.11830	4.8
245.13008	3.5
245.88763	2.8
251.11867	4.5
253.09328	11.3
263.08398	3.7
264.09088	7.7
265.09857	7.1
271.10870	3.8
273.00479	4.2
276.09195	3.2
279.11411	26.6
280.11865	4.6
288.51892	3.3
291.11523	6.7
295.10779	3.5
298.55133	3.3
323.10358	7.2
332.42834	3.2
360.17270	3.7
402.18323	8.5
444.19391	9.4
448.18826	6.0
461.19650	3.4
488.18530	17.1
489.19101	17.7
490.18970	3.3
520.20862	14.7
521.21356	5.1
525.25458	4.5
541.74878	3.1
567.25983	30.1
568.26410	5.4
611.25134	83.8
612.25476	20.5
643.27386	18.1
644.27405	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	643.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45642	1.6
59.01379	4.1
68.97440	20.4
71.01389	3.7
73.24361	1.9
77.72478	1.7
81.76637	1.6
83.05033	5.2
84.99796	1.7
89.02436	3.3
92.94712	1.6
96.95996	2.2
98.22528	4.2
99.92587	4.7
101.02464	2.7
113.02524	2.5
116.92879	30.6
117.92879	1.9
125.02460	3.6
161.04535	2.2
163.11307	3.6
164.75586	1.7
169.01468	2.0
169.12366	6.0
197.11850	100.0
198.12218	4.8
199.66071	1.8
201.11423	3.6
209.11858	99.1
210.12263	6.7
223.13359	2.1
227.12877	16.7
235.08347	4.3
253.09273	13.1
268.02414	1.8
272.09122	2.0
288.73917	1.7
389.23297	3.6
427.06064	2.5
433.20779	4.9
625.32684	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	643.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74795	0.4
55.01882	0.3
57.03410	0.4
57.16181	0.2
59.01384	3.7
61.22350	0.3
61.98804	0.3
67.44556	0.2
67.96854	0.3
69.03442	0.9
70.34786	0.6
70.35144	0.7
71.01383	3.0
72.99269	0.4
73.02933	0.6
80.02663	0.8
81.03446	1.0
83.01380	0.3
83.05045	4.9
84.02161	0.8
85.02952	0.9
87.00878	0.8
89.02050	0.2
89.02466	2.4
95.01382	0.3
95.05012	0.3
101.02457	3.3
107.94746	0.3
109.06620	0.3
113.02455	1.1
119.03485	0.5
119.62200	0.3
125.02430	0.4
125.09698	0.5
127.11288	0.3
128.03552	0.3
128.27585	0.3
135.08176	0.6
141.09218	0.3
143.01253	0.3
145.05087	0.6
153.09288	0.5
153.12868	1.0
154.13237	0.3
154.65607	0.3
161.04572	1.6
163.11290	3.5
165.12840	2.0
169.12354	6.2
171.10263	1.9
179.05620	0.4
179.10818	0.5
181.12421	0.7
185.11882	0.6
191.10796	0.8
197.11844	91.3
198.12170	5.0
199.13376	1.6
201.11354	1.7
207.10320	0.4
209.11845	100.0
210.12175	6.5
210.93661	0.3
211.13408	1.5
212.13884	0.3
213.11375	0.4
215.13243	0.3
223.13498	1.3
225.11411	0.5
227.12909	16.2
228.13284	1.1
230.58629	0.3
235.08221	3.4
235.13385	1.4
253.09306	10.7
254.09761	0.3
371.22293	0.5
384.86002	0.4
389.23233	1.4
407.24210	0.5
413.06396	0.3
433.20688	3.0
445.20850	0.9
463.22012	0.5
607.31488	1.5
625.32367	1.0
643.33612	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	644.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01379	0.5
59.55198	0.4
61.78345	0.4
61.98836	100.0
68.38007	0.4
71.27692	0.4
74.58778	0.4
87.15438	0.4
95.32484	0.4
125.02484	1.4
131.43558	0.4
136.01706	0.8
137.02306	0.5
145.03027	0.4
151.04022	1.1
169.01518	1.1
225.86604	0.4
249.58592	0.5
270.99255	0.6
271.99399	0.6
298.98526	0.7
299.99194	3.9
300.02518	0.9
300.99451	2.6
306.09366	0.4
314.00793	0.7
315.01614	3.2
315.05048	0.7
316.01840	2.0
376.43042	0.4
420.10974	0.4
548.63904	0.4
644.17236	5.8
645.18494	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	644.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30824	0.2
61.98835	100.0
73.95232	0.2
74.71795	0.2
99.39235	0.2
125.02486	1.5
137.34163	0.2
151.00421	0.3
165.37146	0.2
169.01457	2.0
227.03481	0.2
243.03038	0.5
257.04688	0.8
258.04953	0.6
271.02481	1.7
272.02869	1.2
285.04221	0.7
286.04565	1.2
287.05331	0.5
295.20508	0.2
313.05728	1.4
314.04700	1.3
315.04745	1.8
316.05237	0.4
329.06726	3.4
330.07043	4.2
331.07578	0.4
439.85489	0.2
465.06772	0.4
520.76819	0.2
606.12280	0.3
644.13763	1.9
645.12769	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	645.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86818	0.7
57.03455	0.7
58.00584	0.7
59.01389	6.4
59.36829	0.6
63.02417	1.0
65.00314	1.2
67.01865	0.8
68.73315	0.7
68.99822	1.1
69.95024	0.7
70.65002	1.6
70.65373	1.3
71.01386	17.0
72.99316	1.5
73.02934	0.8
78.95910	4.4
81.03431	1.0
83.01386	2.1
85.02959	14.0
87.00883	4.8
95.01408	5.2
96.96967	3.3
99.00899	2.3
103.00371	4.5
107.01391	6.3
109.02940	3.4
109.36180	0.7
111.00880	2.0
113.02458	16.9
115.00381	4.2
123.00911	8.1
124.01714	1.8
125.01529	1.3
125.02460	23.3
127.00416	0.8
136.98862	1.0
137.02455	7.3
139.00337	3.7
140.01176	1.2
151.00386	17.3
153.02013	0.9
157.01411	2.0
161.02414	1.0
165.01958	2.3
167.03526	0.9
168.00638	2.2
169.01442	27.8
170.01784	1.0
175.02510	9.8
178.99916	7.2
179.03491	1.8
183.03040	0.9
192.00598	1.2
193.01414	2.8
193.03497	1.0
203.03453	0.9
209.00923	2.1
211.00203	1.4
211.02492	3.1
227.03429	0.9
235.02580	1.0
245.42404	0.7
269.03024	1.1
271.02469	4.5
283.04544	1.0
287.02109	2.4
299.02121	1.4
316.02274	7.4
317.03049	26.3
318.03448	1.3
327.03604	100.0
328.03915	6.5
475.05185	7.9
476.05490	1.4
493.06274	6.0
645.07458	12.2
646.07562	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	645.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14099	1.4
51.86598	1.7
52.96995	1.7
59.01392	2.5
61.98823	3.0
63.00833	1.5
65.00345	1.9
69.03460	2.5
70.80599	2.7
70.80919	2.1
71.01378	6.7
72.66194	1.7
75.64028	1.5
85.02957	2.1
95.01402	6.1
95.12524	1.6
97.02950	2.2
98.22348	1.8
101.02430	1.8
105.18542	1.5
107.01432	12.7
111.00892	3.5
113.02457	3.1
117.03464	2.3
123.00896	15.4
124.01650	2.6
125.02460	67.7
126.02766	3.1
127.00362	2.0
133.02956	4.2
135.04526	9.4
136.98824	1.9
139.00401	6.5
140.01146	4.4
141.01953	1.9
143.01376	2.6
145.02971	5.3
147.04437	2.0
151.00362	10.7
156.02171	2.0
157.02968	2.5
161.02458	12.4
163.00285	2.3
163.04013	2.9
166.99928	2.5
168.00659	6.5
169.01433	89.3
170.01741	2.4
171.00903	7.4
172.01674	5.0
173.02434	5.7
179.03540	8.3
183.02995	1.9
185.02618	1.8
187.00410	2.3
189.01924	6.8
191.03542	3.0
193.01434	5.9
199.00409	6.1
200.01132	7.1
201.01956	8.9
203.03500	3.2
205.01439	2.1
211.02414	4.3
211.04193	1.9
214.99869	4.3
217.01398	7.4
223.02495	1.9
226.99902	8.4
228.00505	2.1
229.01497	11.9
242.99260	2.8
243.02988	3.0
245.00890	7.7
247.02492	4.0
247.66328	1.7
254.99271	2.4
257.00781	3.1
259.99655	2.7
261.00333	2.3
269.01190	1.9
270.98804	5.2
271.99393	2.6
273.00394	6.6
275.01990	2.0
285.10446	2.8
287.01730	2.1
295.04825	1.8
297.06335	2.9
298.98325	12.1
299.99048	17.4
300.99936	11.7
313.05655	26.0
327.07391	1.7
367.87924	1.5
431.05981	3.1
443.02472	2.4
465.06744	100.0
466.07175	8.6
475.08850	7.3
557.05695	2.5
569.05579	2.1
583.07019	2.4
585.05627	2.2
589.08490	4.1
595.03699	12.4
617.07880	8.7
627.06293	60.3
628.06671	9.5
645.13745	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	645.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	4.3
69.03455	3.2
70.24210	5.9
71.01380	6.6
74.25901	1.8
95.01415	4.8
101.02463	1.8
102.96545	1.7
107.01390	12.0
111.00925	4.4
113.02487	3.5
115.75695	1.6
117.03561	2.0
121.03002	2.6
123.00893	10.6
125.01544	4.1
125.02460	77.1
126.02872	3.0
133.03001	8.7
135.04550	24.1
136.04828	2.1
139.00380	3.6
140.01157	2.9
140.05110	5.3
143.01445	2.2
145.02969	4.5
151.00417	8.5
161.02449	19.9
163.00424	2.5
166.99905	2.9
168.00639	5.0
169.01448	100.0
170.01807	2.4
171.00909	5.7
172.01697	4.2
173.02415	3.4
177.05574	2.9
179.03517	26.3
183.03026	1.9
187.00366	2.2
189.01991	5.2
191.03511	3.3
193.01474	4.4
199.00398	3.3
200.01144	5.1
201.01912	6.0
211.02492	5.5
217.01439	6.5
226.99886	6.1
228.00673	2.3
229.01411	9.8
230.99225	2.9
242.99353	3.5
245.01062	5.2
247.02545	1.9
251.05717	1.8
253.03514	2.6
254.99435	2.3
257.00974	2.4
258.01660	2.0
270.98877	4.7
273.00427	4.2
273.10443	5.4
285.10361	5.0
295.04749	2.4
298.98370	9.1
299.99130	7.4
300.99933	11.2
305.06573	2.0
313.05722	25.4
314.06039	3.3
323.07697	8.0
333.85300	2.1
431.06128	2.5
465.06799	93.5
466.07059	13.2
469.53351	1.9
475.09021	33.5
476.09219	4.2
585.05096	3.0
589.08319	3.8
595.03522	9.3
617.07916	5.5
627.06329	47.1
628.06525	7.3
645.11713	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	645.11
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24379	0.7
65.00329	0.9
69.18629	3.9
69.19048	1.3
92.84535	0.6
107.01380	2.3
123.00904	0.8
125.02453	7.9
134.03706	2.2
135.04530	1.1
137.02437	0.7
147.04485	0.6
151.00348	4.6
153.80460	0.7
163.00365	1.2
164.01187	0.8
169.01447	7.7
178.99854	2.5
187.03941	0.7
193.05095	2.4
199.04025	0.8
203.03462	2.2
214.02672	2.0
215.03436	1.6
231.03003	2.4
242.02217	1.9
243.02943	5.6
259.02496	8.8
260.02774	0.7
270.01727	3.5
271.02490	21.3
272.02872	1.7
287.02011	22.4
288.02353	2.9
313.05646	1.4
315.01486	31.1
316.02240	79.4
317.02795	12.3
329.03085	0.8
330.03842	7.7
331.04602	47.4
332.05026	4.4
478.07605	11.0
479.07874	1.8
493.09921	100.0
494.10269	12.9
610.98944	0.7
645.10968	45.5
646.11469	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	645.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01386	0.8
61.98835	19.8
69.07456	6.2
71.01374	0.7
76.96635	0.6
83.01402	1.2
101.02444	0.8
107.01411	2.7
108.02226	0.7
108.67334	0.6
109.02970	1.0
111.00860	1.1
114.56184	0.6
120.42558	0.6
121.07275	0.7
123.00879	1.3
124.01690	1.3
125.02464	14.7
126.02788	1.4
129.71260	0.6
135.00858	1.0
135.04536	3.8
137.02449	1.7
137.98166	0.7
139.00357	1.2
147.95030	0.6
149.02516	0.7
150.03264	1.4
151.00388	3.4
151.03947	0.8
152.01122	0.7
161.02428	1.7
163.00404	2.1
164.01154	1.1
165.01929	0.9
168.00685	1.5
169.00014	0.8
169.01448	13.6
170.01750	0.9
175.03990	1.0
178.99870	1.3
179.03555	2.2
188.04758	0.7
190.02866	0.8
191.03366	0.6
193.05110	0.6
203.03442	0.7
204.04237	1.0
211.02409	0.9
214.02736	1.5
227.03532	0.9
231.03003	0.8
232.03748	0.8
242.02148	7.5
242.04237	0.7
243.02971	3.2
246.15466	0.7
259.02515	10.6
260.03030	0.8
270.01709	9.0
271.02420	10.3
271.04950	1.1
272.02777	0.7
287.01999	50.8
288.02432	5.7
289.07474	0.7
299.01721	2.9
300.02664	1.5
313.05765	4.2
315.01392	2.0
315.05298	2.5
316.02255	71.8
317.02573	6.2
330.03763	0.6
331.04611	100.0
332.04913	8.3
333.31412	0.6
447.09225	1.2
449.07141	0.8
462.08304	0.8
465.06824	1.9
477.10458	4.4
493.09735	5.0
560.69147	0.6
629.01569	0.7
645.10950	45.7
645.19995	2.0
646.11267	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	645.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75919	0.5
54.22339	0.5
59.01367	0.5
60.79066	0.4
69.03445	1.1
69.10313	0.4
70.34541	0.5
71.01389	3.3
72.99339	0.5
83.01407	0.5
85.02958	0.8
95.01397	1.9
96.95997	0.5
97.02959	1.1
98.21835	2.1
98.22558	1.7
101.02459	1.2
107.01408	7.2
109.60853	0.4
111.00882	1.7
113.02434	1.2
121.02952	0.5
123.00900	8.8
124.01686	1.0
125.02460	46.5
126.02796	1.5
127.00413	0.8
134.03717	0.6
135.04553	3.9
136.98813	0.9
137.02463	0.9
137.71657	0.4
139.00357	3.3
140.01184	2.7
140.05083	0.7
141.01971	1.3
142.41197	0.5
145.02957	0.7
147.04689	0.5
148.01672	0.5
149.02470	0.6
151.00374	6.2
153.01970	0.7
161.02478	3.2
163.04016	1.0
165.01971	1.0
166.02736	0.7
166.99892	1.5
167.03514	0.9
168.00656	4.1
169.01440	65.1
170.01791	1.5
171.00902	1.1
172.01660	0.8
173.02505	1.1
177.01938	0.8
179.03476	2.9
180.03989	0.4
181.01402	0.6
189.01949	1.1
191.03496	0.7
193.01453	4.5
195.02948	0.6
199.00366	0.9
200.01144	1.0
201.01846	1.1
207.03093	0.7
211.02509	4.7
217.01404	1.4
223.02441	1.2
229.01389	0.8
229.27155	0.6
241.03566	1.2
242.99255	0.5
245.00981	1.1
247.02448	0.6
253.03583	1.0
270.98901	0.7
273.00458	1.2
285.10251	1.1
295.04605	1.5
297.06412	3.0
298.98358	1.5
299.99048	2.5
300.99875	1.8
313.05688	20.9
313.76855	0.6
314.06091	1.7
323.07529	0.5
331.04538	1.0
465.06760	100.0
466.07126	10.4
475.08945	1.6
483.07727	0.7
583.07312	0.8
589.08228	0.6
595.03583	1.5
617.07776	1.2
626.97028	0.7
627.06396	7.4
628.06665	1.0
645.12372	6.9
645.25995	0.7
646.13141	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	645.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20221	6.0
147.98825	2.9
152.68959	2.8
167.04359	3.0
173.99620	11.1
201.99120	13.5
213.99057	5.7
229.98517	16.3
241.98524	7.3
244.97269	3.8
256.97287	7.7
257.98117	15.5
269.97913	3.5
284.96899	10.9
285.97531	21.9
299.99081	4.3
300.99814	5.8
312.96359	20.5
313.97046	40.0
323.49908	3.7
326.97885	5.4
327.98657	23.8
328.99292	11.8
333.47510	3.6
341.96561	32.0
342.97147	5.7
343.01099	5.1
355.97934	5.3
356.98856	100.0
357.03101	6.6
357.99329	9.8
371.00241	4.5
372.01251	33.5
381.64508	3.4
386.84888	3.7
458.92212	3.4
615.06122	25.7
630.08539	29.5
631.08954	5.1
645.10992	96.1
646.11200	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.2
64.53968	1.1
66.36504	1.1
67.01901	1.7
68.09159	1.3
71.01394	2.8
71.27990	2.2
85.02959	1.8
87.00894	2.2
89.02440	1.8
95.01405	2.6
97.02924	1.8
101.02484	1.3
107.01392	11.2
111.00863	2.0
113.02458	2.2
119.03497	2.0
123.00883	10.5
124.01719	1.5
125.02458	75.1
126.02805	2.2
133.01421	2.2
136.98842	1.4
139.00369	3.2
140.01154	2.9
146.12143	1.2
148.52924	1.2
151.00426	7.3
161.04625	1.5
168.00618	6.4
169.01442	100.0
170.01848	2.8
172.46028	1.2
179.05577	2.1
183.24521	1.2
194.99342	2.9
211.02534	5.3
271.04660	6.8
295.04694	2.5
313.05728	8.1
331.06821	8.8
439.08914	6.3
465.06836	15.6
475.10934	1.4
483.07861	23.9
484.08209	2.4
493.12024	11.7
494.12396	2.4
645.13147	75.7
646.13416	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	645.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55578	1.6
55.73908	1.8
55.90823	1.6
61.98838	14.3
68.84678	1.6
71.01370	1.7
85.38899	2.0
108.02190	9.8
109.02974	16.4
119.05024	5.4
123.04556	3.6
125.02447	7.9
133.02991	2.0
137.02513	2.2
145.02942	4.2
146.03763	8.8
147.04553	14.5
151.03999	2.6
159.04552	14.7
161.02446	2.4
169.01517	9.2
175.03964	2.6
188.03535	6.2
202.05087	12.3
214.05096	12.5
216.06706	3.3
256.09824	3.3
267.06680	8.4
268.07336	10.6
270.98856	3.2
271.02490	2.1
283.09756	20.0
298.98273	3.0
299.99316	2.3
300.02676	3.6
309.10107	5.4
310.10864	6.1
314.00684	4.1
315.04965	2.1
321.10162	3.1
322.10873	45.3
323.11050	4.5
329.03000	6.6
336.12375	3.8
430.12848	2.8
431.13779	3.9
446.16107	42.5
447.16342	4.3
485.17093	11.8
528.14734	2.3
609.22437	100.0
610.22705	16.7
645.17609	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	645.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05796	15.5
61.98861	18.6
68.69392	16.3
96.22398	19.6
98.22269	100.0
152.15974	16.4
174.01712	34.3
189.64328	19.1
197.11905	25.2
199.13402	35.2
209.11824	34.6
239.07407	18.3
273.10239	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	646.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.9
60.15019	0.9
60.61890	0.9
61.98841	16.0
67.99570	1.2
69.62683	6.0
71.01404	1.0
83.01379	1.0
85.81366	0.9
93.03495	1.1
107.01393	4.8
108.02239	1.5
109.02983	1.5
121.02962	2.1
123.00873	2.3
124.01596	1.2
125.02457	11.6
126.02795	1.4
131.03253	0.9
135.00899	1.5
137.02466	3.9
148.01680	1.1
148.13179	0.9
151.00403	10.0
153.01912	1.0
161.02469	2.1
163.00407	1.9
164.01183	1.4
165.01970	1.2
168.00751	1.1
169.01445	11.6
170.01776	1.9
178.99883	5.2
179.03459	1.2
183.03218	1.1
227.03523	2.0
243.02985	10.8
254.02161	2.1
255.03021	23.6
256.03473	1.9
271.02518	50.9
272.02942	5.0
299.02029	2.0
299.24908	1.1
300.02780	96.7
301.03479	29.4
302.03967	2.4
313.05798	1.8
463.08963	10.6
493.13715	1.7
494.13782	4.3
495.15009	1.7
511.38263	1.1
528.34424	0.9
567.47809	1.1
583.11005	100.0
584.11121	15.2
646.20685	4.2
647.16571	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	647.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07486	1.8
61.50886	1.6
69.96135	1.8
74.49904	1.9
85.02950	4.8
91.05516	2.2
93.03445	4.9
93.26129	2.0
97.02975	1.8
98.21742	4.9
105.03467	5.4
107.01421	11.7
107.05030	2.8
113.02441	4.2
117.03431	2.9
119.05021	8.2
121.02927	3.1
123.00859	2.2
125.02447	31.8
133.02962	3.4
135.04553	17.7
137.02496	6.8
139.00366	2.2
145.02921	10.2
147.04527	15.1
149.02443	4.9
151.00410	2.7
160.09319	2.2
161.02469	17.1
163.00368	6.8
163.04025	41.7
165.01903	4.8
165.05547	2.0
169.01436	31.4
173.02419	9.3
177.01848	3.5
179.03479	3.5
189.01942	17.7
190.02672	4.2
191.03517	100.0
191.39841	2.0
192.03835	6.3
201.01891	2.2
201.73698	1.8
203.03334	2.0
205.01436	2.8
207.03011	4.3
209.01004	4.3
209.04533	5.8
209.22459	2.1
211.02547	2.2
217.01419	12.2
219.03036	4.9
224.08914	1.9
233.00987	2.3
235.02490	78.4
236.02927	5.7
245.00977	2.5
256.03687	2.3
261.00418	44.6
262.00742	3.5
275.02008	5.5
279.01425	3.2
300.99994	3.4
343.04767	2.1
355.97977	2.0
361.05621	8.9
383.15915	2.5
391.03479	2.1
405.04370	11.0
423.05765	3.8
451.05191	4.6
531.07349	3.0
575.06818	92.5
576.07257	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	647.053
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	2.5
71.92992	1.9
79.95750	5.5
81.03439	2.1
82.49616	2.2
85.02963	2.8
91.05539	2.2
93.03429	2.0
98.56711	1.9
105.03478	2.9
107.01377	10.9
107.05029	2.9
113.02466	3.2
116.98074	1.9
117.03474	5.5
119.05035	8.3
121.03004	2.0
123.92989	1.8
125.02448	33.6
133.02956	7.8
134.79533	1.9
135.04556	20.4
137.02470	7.5
145.02988	8.3
147.04570	14.5
147.88901	1.9
149.02728	9.4
151.00418	2.6
155.89388	2.0
161.02464	21.1
162.03250	2.2
163.00363	6.8
163.04027	47.9
165.01942	6.4
165.05627	2.3
169.01448	30.7
170.01808	2.7
173.02437	10.8
174.03151	2.2
177.01831	2.6
178.44223	1.8
179.03510	3.8
189.01939	22.1
190.02681	8.0
191.03516	100.0
192.03876	3.5
201.01859	2.9
203.03513	2.5
207.03000	7.4
209.00954	3.9
209.04626	6.8
217.01443	10.9
219.03059	5.9
235.02483	77.3
236.02776	4.4
245.01007	3.0
259.02499	2.6
261.00412	48.4
275.02005	5.1
277.03693	2.5
279.01727	2.8
300.99976	3.9
324.34055	2.0
332.50900	2.0
347.85776	2.0
361.05743	15.1
363.03513	3.9
368.30865	1.8
405.04642	15.5
406.05536	2.5
422.44763	2.2
423.05621	4.5
451.05255	3.9
531.07935	3.4
575.06769	95.6
575.99072	2.0
576.07013	10.9
603.06299	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	647.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	3.9
71.83669	3.1
74.64622	3.4
78.36477	2.9
85.02956	16.8
85.20330	2.9
89.77352	3.3
93.03445	3.2
98.22556	6.0
109.02969	17.7
116.57523	2.9
123.00899	19.3
123.04539	11.9
125.02460	61.4
126.90506	3.7
128.90193	21.1
129.01939	26.4
133.02917	4.7
138.03264	11.5
145.02951	8.7
147.04558	4.3
151.03995	8.6
166.99893	3.3
169.01443	100.0
170.01770	4.2
177.01953	43.9
180.12907	3.4
187.04071	4.7
189.01929	38.2
190.02649	12.2
191.03470	7.9
200.92400	3.3
201.01889	3.7
201.11331	31.8
203.03444	3.6
209.11850	22.8
216.00676	8.1
217.01447	41.8
217.05043	3.3
218.02078	4.0
219.02954	14.7
231.03020	7.4
253.09390	6.3
255.03000	6.6
265.24652	3.2
271.02393	5.0
289.07126	9.1
300.02725	6.5
323.05597	16.7
331.08261	9.8
336.89200	3.1
337.07150	7.6
341.06647	60.0
342.07159	5.5
343.08286	4.5
355.08206	5.5
371.07651	6.7
430.01392	4.0
441.21310	3.1
477.11972	11.9
495.12982	86.1
496.13318	16.1
517.10101	8.3
647.19702	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	647.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87249	1.7
58.00591	1.8
59.01378	5.1
61.98838	2.9
62.40333	1.8
65.00333	2.1
69.31303	14.3
71.01376	5.7
83.05055	3.5
85.02922	2.8
87.00827	1.9
87.58590	1.8
93.03469	2.1
96.28014	1.7
97.18800	1.9
98.22501	2.7
101.02448	3.2
107.01414	2.3
110.23795	1.7
111.00871	2.8
113.02457	3.0
117.03470	7.6
119.05024	5.0
121.03004	2.2
125.02481	11.0
125.09710	3.3
127.11300	4.4
129.01910	2.5
129.03491	3.1
129.18304	1.8
133.02968	7.9
135.04562	4.1
137.02455	6.0
139.00388	1.9
145.02983	19.6
147.00826	2.0
147.04567	9.1
161.02460	14.6
161.04584	1.8
163.00418	2.1
163.04016	10.1
163.11337	3.9
165.01863	4.2
165.05568	2.9
165.09346	2.2
165.12787	1.8
168.00554	2.1
169.01398	11.5
171.10352	2.5
173.02458	16.3
175.04021	7.3
177.01988	5.2
183.03015	2.8
185.02441	2.4
189.01981	18.8
190.02734	10.1
191.03520	59.1
193.01526	2.7
201.01967	13.4
201.11343	63.6
203.03590	9.4
203.16063	1.8
204.03946	2.1
205.01450	5.9
207.03020	2.5
209.00958	4.7
209.09850	3.9
209.11844	65.1
210.12172	2.6
214.99945	2.2
217.01433	50.6
218.02025	4.4
219.02937	18.5
221.01003	2.1
222.01715	3.2
227.12914	9.3
229.01422	16.9
229.14423	2.4
231.02950	2.9
235.02486	11.0
235.08276	2.0
242.99274	4.2
245.00940	49.6
246.01416	5.1
247.02490	85.6
248.02849	5.7
253.09306	11.1
257.00919	4.5
259.99744	3.3
261.00308	2.7
263.01990	8.1
270.98862	6.3
273.00433	100.0
274.00800	7.2
275.02130	10.1
277.03528	3.1
291.01514	35.4
298.98364	12.3
300.99927	16.9
305.03210	2.9
319.07883	2.4
333.02631	6.6
363.03607	7.5
365.05243	3.1
393.04639	29.3
423.05890	4.1
425.07227	4.5
445.20352	2.1
451.05365	6.5
453.06778	27.3
454.06952	2.7
525.71503	1.8
547.18304	11.1
575.17596	7.7
585.16345	3.1
601.15552	3.7
603.17065	23.6
629.15143	4.4
647.22955	2.8
647.30701	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	647.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.7
59.01377	2.0
63.02413	3.2
65.00329	6.8
65.03958	1.3
69.02830	12.9
69.03431	1.3
71.01418	1.4
81.03449	1.5
83.01383	7.3
93.03475	1.6
95.01402	3.0
96.36554	1.3
107.01405	11.6
107.05007	1.4
109.02955	5.9
111.00928	1.9
117.90170	1.3
121.02981	2.8
123.00922	7.1
124.01682	6.9
125.02459	91.8
126.02852	2.9
127.07610	1.6
135.07069	1.2
137.02454	15.4
139.04042	7.0
145.02975	2.0
149.02469	2.2
151.00375	32.1
151.01581	2.1
151.03955	1.4
152.01218	7.5
153.01953	16.0
155.03560	2.6
159.04587	3.0
161.02397	2.2
163.00414	3.5
163.04039	3.0
164.01163	3.0
165.01945	19.1
166.02748	1.8
167.03494	16.1
167.04778	1.8
169.01419	7.4
175.00388	6.0
175.04053	2.5
176.01151	1.9
177.01984	4.7
177.05667	1.4
178.99881	36.5
180.00279	1.7
181.01492	3.1
183.04514	2.5
187.04028	3.7
189.01953	3.0
189.05550	2.0
190.02754	3.3
191.03537	14.2
192.00737	3.0
193.01428	100.0
194.01833	4.3
201.11459	1.9
203.03499	1.9
205.05067	4.3
209.11844	1.6
211.04050	4.7
213.05641	2.0
214.02747	2.4
215.03523	5.9
217.05217	1.6
227.03510	3.0
229.05089	3.9
232.03819	2.8
233.04620	9.7
239.03560	3.9
247.06165	1.8
255.02991	13.4
256.03769	3.2
257.04602	5.7
259.02335	1.6
271.02463	2.3
274.05008	1.5
275.05664	9.6
277.55472	1.1
283.02505	45.6
284.02948	1.8
300.02765	4.7
301.03568	10.7
319.04605	2.8
411.20602	1.4
463.09326	1.7
493.17239	1.5
503.15448	2.2
521.16699	28.1
522.16943	3.4
530.03052	1.5
585.19879	1.6
603.20990	5.5
619.20630	8.3
629.18781	56.4
629.29144	3.2
630.19232	6.0
647.19891	61.0
648.20331	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	647.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17585	0.8
50.33392	0.7
51.26591	0.8
58.00602	0.7
59.01386	3.6
66.62302	0.7
69.63798	3.6
71.01389	4.4
80.02663	0.9
81.03445	1.1
83.05045	3.1
84.02179	0.9
85.02938	3.8
87.00881	0.6
89.02470	2.1
101.02451	2.8
113.02443	2.2
119.03561	0.8
125.02455	1.3
125.09720	3.0
126.90489	1.4
127.11311	5.1
128.90221	3.4
129.01955	5.6
137.09729	1.0
145.02901	0.9
155.10783	0.9
161.02397	0.9
163.11287	2.9
165.09192	1.6
165.12866	1.4
168.33194	0.7
169.01451	1.3
171.10257	2.7
173.02568	0.7
175.04054	1.0
175.74254	0.7
182.53864	0.8
183.10304	1.1
189.02034	1.2
191.03464	0.9
199.09828	1.9
201.11337	100.0
202.11673	4.6
209.11847	83.2
210.12172	4.4
227.12897	11.7
228.13338	0.9
235.02283	1.0
235.08315	3.5
245.00822	1.0
247.02425	1.5
253.09311	17.3
255.03099	0.8
270.98798	1.3
271.02582	1.2
273.00433	2.7
275.01895	0.8
298.98242	2.2
300.02823	1.8
300.99927	2.2
301.03076	0.8
375.21701	1.8
393.23004	1.9
404.19864	0.8
405.17734	0.8
405.92664	0.7
437.20282	1.8
445.20612	1.0
467.95584	0.7
506.77994	0.7
517.09509	1.0
585.15723	0.9
601.16284	0.8
611.30750	1.1
629.15430	1.0
647.23285	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	649.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05900	1.0
67.01884	1.4
69.03443	2.0
70.55949	1.1
71.01374	1.8
73.12165	1.0
83.01395	1.6
85.02959	1.8
95.01410	2.8
97.02959	3.0
98.22526	3.2
105.03460	1.4
107.01408	6.2
111.00878	1.8
113.02455	1.2
114.72075	1.2
117.03453	1.8
119.05024	2.5
123.00907	4.4
124.01702	6.8
125.02465	94.2
133.02962	1.7
135.04535	1.2
137.02425	1.6
139.00410	2.3
139.04018	4.7
145.02969	4.8
147.04501	2.2
149.02504	1.5
151.00345	3.0
161.02469	4.9
163.04031	3.6
165.01958	1.4
168.00648	11.9
169.01445	100.0
170.01807	3.5
173.02431	3.9
175.04002	2.6
177.01915	2.8
183.01556	2.0
183.03014	20.7
184.03275	1.5
189.01935	7.4
190.02679	4.2
191.03555	11.1
193.01483	1.9
201.01941	4.3
203.03418	2.6
205.01183	1.7
209.00954	1.8
211.02455	3.3
214.99767	2.2
216.00496	1.3
217.01454	10.0
218.02063	1.9
219.03052	5.2
229.01414	4.7
231.02950	1.5
235.02486	2.3
242.99277	2.7
244.00179	1.2
245.00893	13.7
246.01414	2.4
247.02505	15.3
263.02191	1.5
270.98807	10.7
273.00436	46.9
274.00757	3.7
275.01895	1.7
291.01419	5.4
298.98343	19.9
299.99023	3.1
300.99924	3.0
309.05936	1.8
313.05667	3.3
379.06802	1.7
407.06326	1.7
435.05704	33.8
436.06027	4.8
437.07080	1.9
465.06848	4.5
479.08643	6.8
497.09152	8.1
577.08124	1.8
605.07886	9.9
606.08502	1.8
613.04535	4.4
631.05725	1.9
649.10516	35.3
650.10645	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	649.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35106	1.8
67.01888	2.7
69.51910	12.6
71.01370	2.6
86.95878	2.0
91.01875	1.9
95.01394	15.7
97.02937	2.2
98.22468	3.9
107.01390	5.6
109.02946	2.1
111.00864	2.3
117.03445	5.5
119.05046	3.6
121.02940	2.3
123.00907	36.4
125.02461	22.9
127.32777	2.1
129.03476	3.0
133.02977	4.6
136.29025	1.8
137.02438	4.0
139.00362	3.2
141.01968	2.8
144.14122	2.2
145.02998	14.2
147.04544	9.6
151.00279	2.3
157.02962	4.4
161.02415	7.3
162.13251	1.9
163.00345	3.7
163.03987	8.3
165.01947	4.6
166.99872	11.4
169.01450	22.1
171.00827	4.8
173.02489	16.7
174.03041	2.8
175.04031	9.5
177.01955	5.5
181.64774	2.0
185.02481	4.0
189.01921	9.6
190.02721	3.7
190.99895	2.7
191.03511	25.4
199.00423	2.4
201.01942	18.0
203.03481	11.7
209.00912	4.6
217.01466	16.2
219.02982	12.0
221.04478	5.5
226.99765	4.9
228.00801	2.3
229.01414	20.8
230.02042	4.4
231.02928	8.7
242.99384	4.5
245.00922	26.8
247.02483	57.7
248.02840	4.3
257.00937	4.9
261.00336	4.2
263.01865	5.6
270.98962	5.6
272.97458	2.6
273.00424	51.5
274.00766	3.3
275.01923	6.7
291.01492	17.5
298.98309	17.4
299.99008	4.5
300.99924	25.0
316.99371	5.5
335.00470	3.1
382.35861	1.9
408.57590	2.1
435.05643	6.0
520.12726	2.3
587.06671	4.0
603.05841	3.2
605.08118	3.7
613.04779	100.0
614.05054	18.5
631.06012	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01670	3.4
58.84396	2.9
69.17030	12.3
69.17458	15.3
71.43067	2.9
79.01881	3.4
95.01408	14.0
107.01398	7.4
109.02963	3.7
109.70869	3.2
113.85319	3.3
117.03505	4.7
121.02949	5.8
123.00922	28.8
125.02461	44.4
135.04480	4.6
137.02454	5.7
141.01999	3.4
145.02921	17.0
147.04530	10.5
157.02942	8.4
161.02419	9.5
163.00452	5.4
163.04034	12.4
165.01961	13.4
166.99873	12.6
169.01443	51.6
171.00888	3.3
173.02449	14.7
175.03998	14.2
177.01874	4.3
179.03456	3.8
179.17336	3.2
189.01990	12.2
190.02705	7.2
191.03505	30.9
197.04541	4.1
199.00371	4.3
201.01878	19.4
203.03548	14.8
209.00917	22.8
210.01418	3.9
215.49101	3.1
217.01385	15.6
219.03018	11.8
221.04518	5.4
224.53746	3.5
227.00009	3.7
229.01491	22.1
231.02974	7.7
235.02394	5.5
244.00223	4.5
245.00931	29.9
247.02487	69.2
248.02827	4.9
263.02060	4.9
268.61160	3.1
270.98859	8.1
273.00427	57.3
275.01965	12.3
276.02274	3.5
291.01697	14.9
298.98398	21.8
299.99002	6.8
300.99905	24.2
302.00531	3.7
311.49258	3.1
316.99304	4.5
387.15485	3.2
417.04773	4.6
435.05923	4.9
445.03998	4.5
461.03760	5.5
465.59985	3.1
497.10107	3.5
561.08856	6.7
587.06854	6.2
603.05945	5.1
605.07642	13.3
613.04681	100.0
614.05237	20.9
631.06116	20.5
632.06158	4.7
649.10333	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	649.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70728	1.2
59.01394	1.9
67.01894	1.2
68.96479	13.4
69.03445	3.1
71.01365	3.8
75.93875	1.0
83.01402	1.8
85.02966	3.0
87.81705	1.1
93.03480	1.1
95.01368	2.7
96.22299	1.1
97.02959	3.5
101.02474	1.6
107.01411	10.7
111.00890	2.7
113.02480	2.9
117.03462	1.6
120.04568	1.7
121.02946	3.1
123.00925	8.3
124.01700	6.7
125.02464	92.4
126.02783	2.1
134.03748	4.8
135.04152	1.4
137.02444	1.9
139.00351	2.5
139.04013	6.1
140.01106	1.3
145.02977	2.2
151.00366	4.7
157.02956	1.4
161.02448	3.0
163.03978	2.3
165.01923	2.4
166.97649	1.2
166.99890	4.1
168.00682	14.7
169.01447	100.0
170.01764	3.3
173.02493	2.6
177.01923	1.5
182.02315	1.7
183.03004	35.0
189.01936	1.7
190.02667	1.5
191.03568	3.8
193.01442	3.4
193.05072	7.3
194.05347	3.4
209.00923	2.0
211.02502	3.9
217.01451	3.1
219.03081	1.7
225.04007	3.9
229.01462	3.1
235.02586	1.8
245.00935	5.4
247.02559	8.6
250.03484	1.3
255.04976	2.1
270.98788	3.4
273.00476	10.7
274.00760	1.5
275.02057	2.3
284.09290	7.7
285.06323	1.7
291.01563	1.6
295.04456	2.5
298.98395	4.9
300.99945	4.3
309.06299	2.7
313.05765	5.0
327.07114	2.1
327.10641	2.5
370.09247	3.0
398.20709	1.5
435.05832	4.7
437.07425	3.7
452.36603	1.6
465.06747	3.8
470.10773	2.7
479.08102	7.2
480.08786	1.4
497.09445	14.1
498.09998	1.6
561.09229	1.5
605.08319	3.3
613.04767	10.8
614.05774	1.9
617.08020	1.7
649.10486	65.2
650.10907	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	649.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42988	0.7
67.01895	1.4
69.03440	1.0
71.01379	4.8
72.66533	0.8
81.03473	1.1
85.02964	1.3
89.89289	0.9
95.01399	1.9
97.02960	2.1
107.01400	13.6
113.02473	1.8
123.00891	6.2
124.01679	7.1
125.02460	72.3
126.02795	2.7
139.00415	2.2
139.03027	1.5
139.04024	12.7
140.01196	1.7
151.00372	2.2
151.04137	0.9
166.99901	1.2
168.00659	11.2
169.01440	100.0
170.01808	2.8
179.03403	0.9
183.03000	38.4
189.01878	1.1
193.01474	2.4
211.02490	2.1
217.01385	1.0
219.02943	1.3
225.04012	1.6
235.02547	1.0
245.00897	1.5
247.02551	1.8
270.99002	1.5
273.00620	1.3
295.04507	1.6
298.98386	3.7
301.00177	1.1
313.05722	4.1
327.07263	7.0
435.05786	1.6
465.06833	9.3
466.07858	1.2
468.04028	1.2
479.08368	82.5
480.08710	8.1
497.09256	2.9
649.10425	5.5
650.10748	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	649.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80828	0.9
51.77348	0.8
58.02973	1.6
59.01387	1.2
67.01913	1.0
69.03450	3.3
71.01374	2.2
81.03450	1.3
81.36395	1.0
85.02957	2.2
95.01387	4.6
97.02960	3.1
101.02463	1.0
107.01408	14.6
109.02967	1.5
111.00915	1.9
113.02448	1.2
117.03510	1.3
123.00894	8.2
124.01689	11.0
125.02454	93.9
126.02780	2.8
127.00329	1.1
129.05557	1.1
136.98825	1.1
137.02446	1.9
139.00415	3.2
139.03996	9.2
140.01190	1.9
145.02948	3.3
147.04616	1.8
151.00386	2.2
157.02975	1.8
161.02437	2.3
163.04016	1.8
165.05577	1.0
166.99960	4.4
168.00658	18.2
169.01437	100.0
170.01805	4.4
173.02463	3.0
175.04051	2.1
182.02194	1.1
183.01355	1.7
183.02995	36.0
184.03366	1.5
185.02391	1.1
189.01965	3.3
191.03502	7.5
193.01450	3.6
199.00334	1.1
200.01239	1.4
201.01938	3.1
203.03514	1.6
206.08273	2.6
210.01820	1.2
211.02464	6.4
217.01436	3.4
219.02962	2.3
221.04503	1.2
225.04018	6.4
226.99850	1.9
229.01436	3.7
230.01842	1.1
231.03009	1.7
242.99345	1.4
245.00996	5.8
247.02477	15.2
253.03531	1.2
255.05159	2.3
270.98767	3.4
273.00449	9.3
274.01007	1.0
285.06287	3.1
291.01590	2.7
295.04453	1.6
298.98303	10.6
299.99069	2.1
300.99902	5.6
309.06296	1.8
313.05670	3.3
327.07404	1.0
435.06332	2.1
437.07339	2.8
465.06772	1.5
479.08395	7.9
480.08682	1.2
497.09479	17.2
498.09836	2.0
561.08392	1.2
566.13000	1.0
605.08154	2.5
613.04669	17.5
614.05518	2.0
631.05640	3.7
649.10498	59.7
650.10706	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	649.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93190	2.0
61.98832	4.8
71.01375	3.2
71.27402	2.7
72.63033	2.0
83.01351	2.6
107.05052	3.4
109.02944	2.9
116.92880	3.4
117.03448	5.7
119.05014	3.3
123.00867	2.7
125.02454	5.2
133.02971	3.7
135.04527	3.3
137.02470	3.0
145.02945	8.8
147.00894	2.5
147.04512	6.0
159.10965	1.9
159.33282	1.9
161.02449	14.7
163.03999	6.8
165.01973	2.4
165.05576	3.4
168.00690	3.0
169.01414	12.0
173.02477	14.6
175.03973	5.4
177.01959	6.8
189.01929	21.5
190.02727	11.6
191.03526	35.2
193.01424	3.3
201.01945	10.5
205.01401	5.3
217.01448	31.2
218.02065	6.8
219.02954	9.1
221.00900	2.8
229.01416	8.6
235.02510	6.5
245.00908	40.8
246.01457	7.2
247.00049	2.4
247.02505	34.0
259.31000	2.3
263.01892	4.0
270.98846	4.6
273.00421	100.0
274.00821	4.1
298.98413	10.5
299.01294	2.4
300.99899	12.7
335.11240	7.1
363.88547	2.1
423.05783	4.7
451.05429	9.8
543.11206	9.8
546.65503	2.4
549.19843	15.5
550.19904	4.3
561.19727	3.5
575.17603	3.0
577.19226	16.0
587.17432	4.3
603.17108	8.5
605.18811	68.5
606.19043	15.2
631.16663	8.9
649.17688	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98960	0.5
58.02978	12.1
70.02986	5.3
72.00921	2.8
85.02943	0.7
91.05542	3.7
95.01398	0.7
97.02985	0.6
107.01408	1.0
111.00832	0.6
117.03474	0.7
123.00893	2.8
124.01654	0.8
125.02462	11.7
132.31137	0.6
133.02980	1.3
137.02457	0.7
141.01933	0.6
145.02969	2.4
147.04535	24.1
148.04892	1.2
157.02957	0.9
159.92729	0.5
161.02446	1.8
162.01976	1.9
163.02831	4.3
163.03986	1.4
164.07184	58.6
165.01959	0.7
165.07507	3.1
166.99886	1.5
168.00664	0.8
169.01437	10.3
170.01743	0.7
173.02441	3.1
175.04024	2.1
177.01958	0.7
183.03008	1.3
185.02371	0.7
185.79579	0.6
189.01973	2.5
190.02760	1.0
191.03519	5.0
201.01994	2.5
203.03447	1.4
204.03061	1.2
205.01373	0.7
206.08238	100.0
207.08588	5.7
209.65346	0.7
217.01462	4.1
219.02911	3.0
221.04546	0.8
226.99841	0.9
229.01443	3.3
229.46695	0.6
231.02863	1.1
236.05664	8.7
237.06097	0.6
242.99335	0.9
245.00891	4.8
247.02509	14.3
248.02919	0.6
270.98859	1.4
273.00436	13.1
274.00851	1.4
275.02075	1.3
291.01599	2.7
295.04431	0.7
298.98380	4.8
299.98941	1.4
300.99930	2.8
313.05783	1.2
398.11011	2.4
465.06885	0.7
587.06726	0.9
605.07690	1.8
613.04852	10.1
614.05084	2.5
631.05597	2.0
632.06317	0.8
649.10779	3.1
650.10010	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	651.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33182	0.8
54.88942	0.9
60.12592	1.0
62.18853	1.1
87.72267	0.8
88.65639	0.9
95.01408	1.2
97.02960	1.1
107.01431	2.0
107.75324	0.8
111.00931	0.9
121.00001	1.1
122.78164	0.9
123.00889	3.1
124.01691	1.3
125.02467	9.9
137.02463	3.4
139.00389	1.1
145.02985	1.5
146.44154	0.8
147.04578	1.3
148.13176	0.8
149.02473	1.6
155.61115	0.9
159.04550	2.7
161.02501	1.1
163.00406	5.6
168.00662	1.4
169.01483	7.8
173.02458	2.8
175.04002	2.5
177.01961	2.2
177.05548	0.9
185.02501	3.1
187.03996	2.0
188.49525	0.9
189.01854	1.4
190.90884	1.1
191.03581	3.0
193.01456	3.7
201.01971	4.8
203.03470	7.4
205.05074	2.8
206.99228	0.9
209.00967	1.1
211.02530	2.5
213.02036	1.1
219.02925	2.3
229.01453	9.9
231.03043	9.5
237.00526	1.3
243.99869	1.1
245.00961	3.9
247.02490	4.6
249.04150	7.3
257.00949	12.4
258.01682	1.4
271.04541	2.1
273.00406	2.7
274.01120	2.3
275.01996	37.2
276.02341	3.3
278.15421	1.1
279.01486	1.2
283.99734	1.9
293.03024	3.2
299.99194	1.1
300.99924	100.0
302.00330	8.1
302.03381	1.4
313.05566	1.3
331.06772	1.2
421.04263	3.2
437.07080	1.2
463.05252	2.0
607.09143	1.6
607.43030	1.1
613.43378	1.0
615.05707	2.1
633.07428	52.8
634.07751	8.7
651.08282	3.5
652.18896	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	651.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26657	1.1
50.99440	1.2
69.58441	6.2
69.58837	2.8
71.01372	1.7
78.49663	1.1
101.02496	1.4
105.03436	1.4
107.01414	4.2
109.02965	2.6
111.00895	1.5
121.02953	1.7
123.00898	3.3
125.02467	18.4
125.41489	1.3
129.18427	1.2
131.05067	1.8
137.02481	6.0
139.99458	1.2
147.04581	3.9
149.02483	2.4
157.02986	2.1
159.04549	6.1
163.00403	3.1
163.04073	3.2
164.01309	1.5
165.02028	2.4
169.01442	22.1
175.03961	6.8
177.01956	6.4
177.05652	3.0
185.02428	2.8
187.04031	4.1
189.01985	2.0
190.02817	2.9
191.03487	3.9
193.01462	8.4
201.01888	7.1
203.03481	14.0
205.01450	1.5
205.05096	9.9
211.02496	2.0
213.02016	1.5
217.01399	2.2
219.03009	5.4
221.04605	4.0
229.01483	13.2
231.03017	14.6
237.00462	4.4
245.00870	1.8
247.02576	7.3
249.04021	12.7
257.00882	14.8
258.01596	5.0
269.68475	1.5
271.04666	3.2
273.00439	1.7
275.02002	100.0
276.02332	7.4
293.03088	10.7
299.99310	1.8
300.99921	47.2
302.00284	3.9
313.05695	3.9
314.55811	1.4
319.00970	3.1
331.06766	1.5
464.45007	1.3
481.05905	2.8
551.07111	2.3
607.09326	3.6
633.07391	47.9
634.07672	5.3
651.08252	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	651.0841
Annotation	Pelargoniin D
Peak:m/z	Relative Intensity
50.30671	0.8
52.89811	0.9
57.03465	1.0
59.01376	1.1
69.77311	4.1
71.01356	1.1
81.71243	0.8
85.02956	2.9
95.01428	1.2
107.01421	2.8
111.00903	1.9
115.00386	1.0
119.05015	1.1
123.00888	3.1
124.01720	1.1
125.02450	15.9
131.05064	1.7
135.04509	1.1
137.02451	5.1
139.00400	1.4
145.02928	1.2
147.04552	2.6
149.02521	1.1
157.02945	1.7
158.88776	1.1
159.04585	4.2
161.06120	1.2
163.00395	3.3
163.04008	2.3
165.01936	2.1
168.00528	1.2
169.01434	19.2
173.02390	1.4
175.03984	6.0
177.01987	4.8
177.05617	3.1
185.02460	2.9
187.03999	3.0
190.02693	2.1
190.99805	1.4
191.01996	1.2
191.03528	4.1
193.01466	7.0
201.01953	4.5
203.03505	14.7
205.01498	1.5
205.05104	11.0
209.00987	1.5
211.02560	2.2
213.01988	1.7
217.01469	1.1
218.99280	1.0
219.02960	2.3
221.04539	3.0
229.01447	11.4
231.03004	13.3
237.00447	4.7
245.00923	1.9
247.02473	6.2
249.04062	12.5
257.00912	15.0
258.01492	5.2
260.10019	1.1
271.04584	2.6
273.00336	1.5
275.01996	100.0
276.02338	6.4
283.99707	1.1
293.03061	8.6
300.99911	57.3
302.00235	3.6
313.05652	3.1
319.01083	3.6
327.08716	1.4
331.06671	4.8
335.04269	1.2
337.02075	2.1
421.04156	1.7
432.30884	1.0
437.07214	1.6
481.06201	1.4
502.56717	1.0
551.07104	2.6
577.46460	1.0
607.09326	6.6
623.08838	1.1
633.07410	44.1
634.07532	5.9
651.08441	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	651.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19060	0.8
71.01399	1.0
95.01382	1.3
97.02958	0.9
98.21722	1.7
100.10683	0.8
107.01397	2.2
111.00857	1.2
119.05050	1.1
123.00885	3.3
124.01619	1.2
125.02460	16.2
131.96202	0.8
133.03088	1.1
137.02444	2.7
145.02890	1.0
147.04520	2.0
149.02423	1.2
157.02968	0.9
159.04527	3.2
161.02509	1.2
163.00368	4.2
163.03954	1.2
165.01901	1.1
169.01434	13.6
173.02455	1.8
175.03999	3.9
177.01929	2.3
185.02472	2.5
187.04024	1.4
189.01982	1.5
191.03505	2.0
193.01421	4.8
194.40331	0.8
201.01952	4.5
203.03548	10.6
205.05035	2.7
211.02530	1.6
213.01962	1.9
217.01595	1.2
219.03006	1.6
221.04597	1.9
229.01419	8.1
230.01912	1.1
231.02974	9.4
237.00444	1.8
245.00899	3.3
247.02426	4.4
248.02771	1.7
249.04117	11.0
250.04617	1.1
257.00909	11.6
258.01590	2.6
273.00439	2.7
274.00900	1.3
275.01999	35.0
276.02231	2.0
277.13397	0.9
283.99442	1.8
293.03015	2.4
299.98892	1.4
300.99908	100.0
302.00269	6.1
319.00903	2.0
331.06900	1.4
419.50601	0.9
421.04169	2.8
437.07135	1.7
463.04639	1.3
481.06253	2.6
607.09375	1.3
615.05353	2.6
633.07379	49.0
634.07568	6.7
651.08496	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	651.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
62.57281	0.5
71.27702	0.4
88.01790	0.4
101.40798	0.4
113.09737	17.2
125.02466	0.5
129.74727	0.4
141.09224	16.9
142.09583	0.9
143.07146	49.1
144.07513	1.7
151.00391	0.8
159.10265	2.9
169.01367	0.5
178.99921	0.5
185.08202	3.0
203.09261	100.0
204.09564	5.0
243.02916	0.5
255.02953	1.7
268.78580	0.5
271.02509	2.9
275.71835	0.5
296.29544	0.5
300.02695	5.3
301.03403	3.6
326.53418	0.5
447.09381	6.2
448.09784	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	651.3182
Annotation	Gnididilatin
Peak:m/z	Relative Intensity
57.03455	1.4
67.01902	1.5
69.03462	13.2
71.01392	23.8
71.28592	1.1
71.28947	1.1
78.95909	2.6
83.05023	1.5
85.02979	1.1
93.03482	2.1
95.01367	1.0
95.05025	5.4
107.05054	1.5
109.02958	3.9
109.06631	1.0
125.02455	3.1
133.02974	17.5
134.03787	7.7
135.04543	35.6
136.04861	1.7
137.02458	4.5
139.04007	1.3
150.03183	1.0
151.04047	6.4
151.90527	0.9
152.99570	1.4
161.02457	44.1
161.06030	1.4
162.02800	2.2
177.05576	2.1
178.02612	1.1
179.03517	13.1
204.08276	1.0
331.22836	1.4
331.26471	3.1
339.23517	1.2
341.24792	1.2
349.23825	1.3
355.26492	2.0
357.24347	2.2
359.25946	2.0
373.27658	4.7
375.25375	2.4
383.26053	1.9
401.27069	7.6
402.27371	1.4
409.27686	3.1
417.26697	2.8
427.28784	5.3
453.26468	2.3
469.26334	1.3
471.27527	5.5
482.65057	1.0
489.28625	57.4
490.29166	8.0
535.30640	1.4
571.30920	1.4
579.30029	1.3
593.27789	2.1
606.62085	1.2
607.31042	1.9
615.30225	2.1
633.30817	17.0
634.30981	2.8
651.31769	100.0
652.32166	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29377	2.2
53.47319	2.1
59.01378	5.1
64.51637	2.1
64.84286	1.9
67.01876	2.8
68.97025	21.4
69.03461	12.7
70.01799	1.9
71.01389	31.5
75.18592	2.0
78.95908	14.8
83.05029	2.7
89.02456	4.2
91.06693	2.4
93.03449	2.8
94.51581	2.1
95.05038	3.2
96.97004	2.1
101.02468	3.4
107.05068	4.1
109.02972	3.9
118.74049	2.2
120.82504	2.0
125.02451	4.4
133.02963	15.1
134.03789	4.9
135.04535	35.5
136.04816	3.0
151.04018	8.4
152.99586	18.5
161.02460	36.6
177.05675	2.3
179.03574	11.8
181.16791	2.5
223.00027	3.2
241.01154	3.6
253.21614	11.2
260.50183	2.2
277.21878	6.9
315.05054	2.7
359.26279	2.3
373.27542	9.0
383.25800	3.7
397.13547	8.5
401.27151	16.1
409.27271	3.7
415.14438	5.2
417.26694	2.4
427.28583	8.5
428.28839	2.7
471.27634	8.3
489.28610	100.0
490.28827	15.7
593.27295	23.5
633.30878	12.9
634.30786	2.9
651.31732	92.2
652.32129	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3393
Annotation	Withanoside III
Peak:m/z	Relative Intensity
57.03456	21.9
60.51059	1.3
61.98818	3.1
62.25808	1.4
63.02403	2.2
65.00320	1.5
65.03978	3.5
67.01891	4.3
69.03460	10.6
70.01376	6.1
71.01382	11.1
75.42738	1.7
80.35648	1.6
81.03464	49.7
82.03809	1.7
83.01400	6.1
83.05030	5.2
90.04069	1.7
93.03458	2.3
95.05019	9.3
97.02972	4.6
97.06601	3.0
107.05040	9.2
109.06603	3.3
125.02460	100.0
125.06078	2.3
126.02807	2.9
133.06595	1.8
151.03996	16.1
161.02475	2.0
164.20200	1.5
167.03516	1.7
169.01439	6.0
175.07706	1.6
177.05573	10.8
180.68393	1.6
183.13841	1.8
237.18442	1.7
239.20197	8.6
279.23468	9.1
281.21121	2.3
285.09802	2.0
297.24451	2.0
300.99957	1.9
314.80228	1.4
321.24423	6.1
323.22244	2.5
329.14035	3.1
346.73370	1.8
347.25922	2.6
349.23862	2.3
357.24606	2.3
365.23343	33.1
365.27536	3.0
366.23712	3.4
366.27893	1.5
375.25415	3.1
391.24771	7.6
392.25378	1.9
393.22443	2.4
419.24365	7.1
437.25360	2.2
445.25983	4.3
463.26947	3.4
471.27429	7.2
481.28162	9.4
489.28650	7.6
507.29639	18.7
508.30029	2.3
525.30780	39.8
526.31006	5.5
589.33807	5.2
607.34521	9.4
633.33173	8.5
651.33813	50.1
652.34369	6.8
655.60211	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	651.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27813	8.1
50.81078	8.2
53.11529	7.8
58.38102	7.4
61.00884	7.6
61.19067	8.7
70.38737	7.6
78.95916	100.0
80.86709	8.5
83.60489	9.3
95.59776	8.6
96.96996	9.6
109.60686	8.5
152.99593	56.3
183.13739	7.7
209.11855	18.3
255.23283	71.3
391.22665	27.5
619.36157	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04534	0.5
56.13493	0.5
59.24048	0.6
69.09226	5.4
77.49071	0.5
96.96046	0.6
109.02971	0.8
119.05030	1.0
121.02962	1.9
121.28078	0.5
125.02471	1.7
135.04535	1.0
145.02974	1.6
147.04544	1.3
149.06050	0.9
159.04579	0.8
160.48708	0.5
161.06078	1.0
162.06853	2.8
169.01433	0.8
175.55092	0.5
176.08490	0.8
184.73279	0.7
191.07187	0.8
204.06697	0.6
208.45445	0.5
223.07631	0.9
235.07687	1.0
237.05696	0.9
239.07172	1.6
249.05511	1.7
251.03551	1.0
251.07147	3.3
263.07108	1.6
264.07858	0.6
265.05182	0.7
265.08929	0.6
267.06647	6.0
268.07196	2.6
275.07294	1.4
276.07877	1.8
277.08807	1.3
279.06650	2.6
280.07367	1.5
281.08194	2.7
282.08908	5.1
283.09760	4.2
291.06879	0.7
292.07248	1.0
293.08221	3.5
294.08359	1.2
295.09787	1.3
296.10535	4.7
297.11331	9.0
298.11450	0.7
306.07974	0.8
308.10590	2.8
310.07294	1.4
319.08746	0.8
320.09381	0.8
322.07214	1.5
323.08026	2.1
326.10474	1.0
327.12341	0.6
333.52979	0.7
336.08862	0.8
337.09753	1.0
338.10333	4.8
339.10907	1.2
350.10187	0.8
354.13562	1.6
372.12393	0.6
414.13544	6.2
425.12381	0.7
430.12909	10.9
431.13107	1.0
435.89105	0.7
440.15250	1.6
442.13016	26.6
443.13382	3.9
444.14871	0.9
445.15332	9.5
446.15839	1.8
457.15347	22.6
458.15576	3.4
460.17694	41.5
461.18137	5.8
472.17676	100.0
473.17999	17.1
490.18689	7.7
491.19226	1.2
581.57843	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	652.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.9
59.01387	12.4
68.98380	5.8
70.55335	0.6
71.01389	10.9
72.99304	0.8
74.78347	0.5
85.02957	1.3
87.00881	0.9
89.02455	17.3
95.01444	0.5
98.22667	1.3
101.02456	5.6
113.02460	4.3
114.19866	0.6
119.03521	6.6
119.05045	1.1
121.02907	0.6
125.02439	2.6
131.03467	0.7
131.30341	0.6
137.02457	1.0
143.03499	1.1
145.02940	1.9
145.42961	0.7
146.09128	0.6
147.04509	1.6
161.02446	1.2
161.04570	1.6
166.99893	0.8
169.01450	2.9
176.03577	1.0
179.05600	2.7
190.68159	0.5
207.08092	0.9
209.06030	0.6
222.06885	0.7
223.07692	2.2
233.06163	1.2
249.05727	0.6
250.06340	1.6
251.07175	5.6
251.35797	0.7
253.50465	0.6
263.07166	1.9
264.07904	2.4
265.08530	1.1
266.08203	0.7
275.07172	2.2
276.07932	2.3
277.08606	1.4
278.05652	1.2
278.09128	0.8
279.06543	3.9
280.07239	1.1
284.03180	0.6
285.03995	0.9
291.06482	1.3
292.07419	1.7
293.08347	5.9
294.08228	1.4
306.07794	1.4
307.09409	1.0
308.10568	3.9
309.10855	0.6
322.07211	1.4
323.07867	2.9
324.08679	0.6
335.08047	1.2
336.08630	1.1
337.09509	1.8
338.10461	6.4
350.10306	1.1
372.12177	0.9
414.13538	8.5
415.13687	1.8
424.12253	0.6
425.12775	1.7
426.13367	1.3
427.13309	0.8
440.14807	1.4
441.15479	1.2
442.12970	43.1
443.13327	5.8
451.37662	0.6
456.14597	1.0
457.15347	26.8
458.15729	4.8
472.17703	100.0
473.18066	16.1
653.13611	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	652.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
58.00566	1.3
59.01385	23.8
62.00827	0.9
67.01989	1.0
69.25366	4.5
69.25787	3.4
71.01041	1.1
71.01395	14.9
72.99307	1.6
75.95437	1.0
80.85949	1.1
85.02963	3.7
89.02460	12.5
95.01384	1.7
96.55921	1.0
101.02457	8.6
113.02461	4.2
116.92835	1.3
119.03510	5.7
125.02477	9.7
151.00365	1.0
151.04086	1.3
169.01414	6.1
171.04488	1.1
228.06721	4.1
251.07133	3.5
255.03169	1.1
271.02505	4.2
272.02850	2.3
277.05164	1.6
278.05859	2.0
279.06674	7.7
280.07275	1.4
283.06207	2.1
293.08359	2.3
294.09036	9.3
295.09756	1.5
299.01956	1.3
300.02689	4.4
301.03143	3.8
309.11374	7.9
315.05084	1.5
316.02280	4.6
316.05521	1.6
317.02890	1.8
322.00967	1.4
322.07193	1.0
334.07379	2.4
335.08185	2.2
336.08792	2.5
338.10287	1.2
350.10117	4.8
441.11932	1.8
442.12772	6.5
456.14520	6.2
457.15204	8.1
458.15829	1.4
472.17682	100.0
473.17975	15.8
490.18289	1.2
491.08264	3.9
548.88177	1.2
652.10132	8.1
652.23889	21.0
653.10785	1.8
653.23688	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	653.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36650	0.5
56.90504	0.5
59.01376	0.8
61.98812	0.7
67.01890	2.7
69.03453	1.8
71.01387	0.9
71.27645	0.6
72.99357	0.5
79.01896	2.8
81.03424	0.5
83.01392	0.6
93.03465	23.4
94.03801	0.7
95.01393	6.0
97.02976	1.9
107.01396	1.9
111.00906	1.8
116.92924	0.5
118.16801	0.5
121.02937	0.7
123.00897	25.9
124.01773	2.5
125.02457	58.1
126.02799	1.6
133.02966	1.3
134.03761	2.4
135.04506	0.7
136.98811	0.6
137.02455	34.4
138.02773	2.0
139.00389	5.6
140.01219	2.6
141.01962	1.7
142.39986	0.5
149.06142	0.6
151.00388	3.8
160.01616	0.5
160.05267	0.5
161.02417	2.7
166.99873	26.9
168.00638	8.3
169.01437	100.0
170.01779	3.5
173.06145	0.7
175.04066	1.0
178.02620	0.7
193.05080	1.7
201.05553	3.8
245.04607	3.5
270.99002	0.8
289.03577	15.7
289.06860	0.9
290.04205	0.8
298.98245	0.6
299.99167	4.0
300.02310	0.8
301.02982	0.7
315.01581	2.1
323.07632	0.6
341.06973	0.6
477.06882	0.7
483.08997	0.7
501.10513	3.0
653.11487	27.1
653.20941	1.1
654.11719	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	653.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22078	0.9
53.96595	0.8
57.03453	6.2
58.70161	1.1
59.38839	0.9
73.02951	2.5
79.73132	1.0
85.06624	1.5
97.68597	0.9
98.21731	2.4
99.08170	17.6
100.16238	1.0
101.06138	1.1
104.10325	1.0
113.06113	4.5
115.07664	72.8
116.08005	3.5
116.93531	1.0
119.05039	48.5
120.05354	1.9
123.04536	1.0
143.07155	17.5
157.98529	1.1
159.06670	8.5
163.04027	100.0
164.04372	5.3
169.01433	3.7
181.40190	1.0
199.54150	1.0
213.10344	0.9
254.06126	1.1
336.99677	1.1
351.10675	8.1
369.13452	5.3
447.78949	1.1
494.49173	1.1
498.76160	1.0
550.92761	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	653.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54807	0.8
57.03455	6.1
66.42968	0.8
70.96143	2.1
72.99307	4.3
73.02940	3.6
81.07098	1.4
85.06594	1.6
99.07562	1.7
99.08167	18.9
101.06085	1.1
113.06102	4.6
115.07658	100.0
116.07998	2.0
119.05038	64.7
120.05370	2.6
125.06135	1.1
129.05594	10.0
143.07155	25.1
159.06633	14.3
162.50339	0.8
163.04027	63.0
164.04338	2.6
169.01433	1.3
187.06137	3.0
188.33423	0.9
205.07184	57.7
206.07477	2.0
258.33398	0.8
330.83966	0.9
336.81027	0.9
338.99350	0.9
351.10901	8.3
352.11124	1.0
465.19464	1.0
613.32068	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	653.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54123	0.2
59.01379	0.3
60.50579	0.2
61.98811	0.6
63.02391	0.2
65.00325	0.5
68.79324	0.2
69.11803	0.4
69.12205	1.7
70.85442	0.2
71.01373	0.3
76.85248	0.2
82.95414	1.1
83.01389	0.4
88.98815	0.2
89.03958	0.2
96.95975	0.2
107.01398	0.7
108.02180	0.6
116.92870	1.0
117.03428	0.4
123.04517	0.2
125.02454	0.8
132.02170	0.9
133.03000	0.4
134.03763	4.8
135.00830	0.3
148.01657	0.9
151.00397	2.6
159.04463	0.4
160.01668	2.7
161.02464	0.6
163.00401	0.4
164.01108	0.7
169.01408	1.0
171.04510	0.3
175.04031	1.7
178.99857	0.5
183.04524	0.6
187.04034	0.5
193.05054	1.0
199.03957	1.3
203.03535	0.3
211.04176	0.3
214.02765	0.3
215.03571	0.7
216.04256	0.4
226.02689	1.1
227.03549	2.3
228.04089	0.4
242.02164	0.5
243.03009	8.4
244.03473	0.8
254.02206	2.1
255.03008	20.0
256.03418	1.1
270.01718	0.6
271.02509	46.8
272.02957	4.9
285.03918	0.2
288.27438	0.2
296.75974	0.3
298.98499	0.3
299.02017	9.8
300.02777	100.0
301.03159	7.5
313.03580	0.4
314.04388	2.0
315.05130	94.6
316.05450	8.1
323.07773	0.9
323.55344	0.3
329.06616	1.0
337.09372	0.4
404.04767	0.2
444.07071	0.3
459.09341	2.4
460.09821	0.3
462.07913	0.3
473.17865	0.3
477.10437	12.7
478.10724	1.5
491.12085	0.3
503.19012	0.3
532.04034	0.2
633.10553	0.3
638.12823	1.0
653.15143	22.0
653.32758	0.5
654.15552	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	653.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00579	0.4
56.96226	0.3
61.98840	0.3
71.27835	0.5
83.39577	0.3
91.01871	0.3
93.03487	0.9
95.01401	0.7
96.00920	6.6
96.26343	0.4
98.02505	0.7
98.58474	0.5
108.02190	20.5
109.03008	2.5
110.02509	1.0
111.00862	0.4
119.05060	0.5
121.00442	2.8
123.00928	1.3
123.04539	9.4
124.00412	0.8
124.01669	0.6
124.04877	0.5
125.02442	0.9
132.02179	2.6
133.02963	3.1
134.02509	0.5
134.03751	0.8
135.04501	0.7
136.01697	0.8
137.02440	1.1
142.02966	0.4
145.02963	1.2
146.02509	0.8
146.03741	1.2
147.04521	1.3
148.01732	0.5
149.04774	0.4
151.04042	0.5
158.03719	0.5
159.03236	0.4
159.04494	0.5
160.01694	5.3
160.04004	3.1
161.02466	12.7
162.03194	1.7
162.05658	0.9
163.00371	0.6
163.02751	1.5
163.04031	0.8
164.03510	0.4
169.01537	0.5
173.02496	0.5
174.01909	0.6
174.03235	3.9
175.04008	3.0
176.01167	1.9
176.03554	1.5
177.05658	0.4
178.05151	0.4
179.00989	0.9
186.01985	1.2
187.00354	0.5
188.01178	2.4
188.03531	1.3
189.01956	3.9
189.04318	1.4
190.02669	1.2
190.05104	0.6
190.99748	0.5
191.03526	2.5
194.02264	0.5
200.03600	1.2
202.01447	4.1
202.02797	3.1
202.04852	0.8
203.02203	1.5
204.03033	20.8
205.03630	1.8
207.83931	0.4
214.05128	0.7
216.00676	2.5
216.03001	17.5
216.06396	0.8
217.01518	0.5
217.03677	4.5
218.04596	2.9
220.06149	5.6
221.03238	0.5
225.05736	0.5
230.00911	1.5
231.01474	0.5
232.02515	9.1
232.06126	0.5
233.03017	0.7
239.03546	0.3
244.02635	1.6
245.03313	5.2
246.04070	4.0
247.04587	0.5
249.02800	15.7
249.05412	0.8
250.03090	0.6
251.03531	0.5
253.05133	1.8
254.05740	0.4
259.07260	0.9
266.05978	0.4
267.03033	0.7
267.06479	0.9
268.03568	0.6
268.07452	0.7
269.04630	2.1
270.05023	0.4
271.02463	1.5
272.02277	0.4
277.02295	8.0
282.05109	0.4
283.08597	1.3
286.05948	1.2
287.06680	1.3
295.02505	1.6
295.05585	0.4
296.03189	1.7
297.04117	4.0
298.10931	1.8
300.02747	3.0
310.04727	2.7
311.05576	3.5
312.06381	5.9
312.12210	0.6
313.06421	0.6
315.05121	4.1
322.07156	0.9
323.08017	6.7
324.08789	67.1
325.09222	7.9
327.08734	6.0
336.12384	0.6
337.09543	7.6
338.04422	3.3
338.10349	19.9
339.10913	3.1
340.08810	0.5
340.11978	5.4
351.07516	12.9
352.08011	2.1
352.11795	0.4
353.06616	1.1
366.09845	36.9
367.10165	4.5
368.11472	4.7
392.07590	0.7
394.09369	0.5
406.11844	2.7
407.12207	1.7
409.10529	3.6
446.15872	0.5
460.17523	1.4
475.12650	0.4
490.15091	100.0
491.15451	15.6
501.16470	0.8
529.16211	38.2
530.09125	0.7
530.16699	8.8
531.17090	0.5
549.57678	0.4
653.23260	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	653.251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94928	2.3
93.03471	16.3
93.55523	2.5
108.02191	8.4
109.02983	15.6
122.03734	3.3
123.04488	4.1
125.02451	5.7
137.02473	26.3
145.03001	3.3
155.54333	2.3
158.03729	6.2
159.04507	10.7
161.02347	3.1
169.01491	3.5
173.06097	7.5
178.05084	3.7
180.95305	2.3
202.05132	4.3
214.05101	19.2
216.06795	3.2
218.74025	2.2
224.60887	2.3
228.06737	2.7
237.05695	2.6
249.05586	3.0
263.07071	3.0
265.05127	3.0
266.06030	5.8
267.06622	17.5
268.07397	4.6
271.02454	4.7
279.06543	2.8
281.08255	14.7
282.08978	12.4
283.06537	3.0
283.09698	16.6
295.09766	5.2
297.11346	5.7
300.02829	10.9
315.05142	8.7
322.07227	12.0
322.10873	5.4
324.08652	4.2
336.08948	5.0
336.12503	8.2
338.10361	3.1
421.89911	3.0
429.12128	3.7
436.61743	2.8
443.13632	3.4
444.14606	19.6
445.14859	4.4
458.16043	8.6
460.17807	35.1
461.18198	5.7
474.15311	7.9
475.16092	2.9
488.17285	4.7
490.18906	41.8
491.19095	5.3
516.14764	2.8
600.51855	2.5
653.25000	100.0
654.16003	3.1
654.25537	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25420	1.1
59.01381	2.9
61.98823	3.0
68.97688	5.0
68.98111	2.2
69.03456	1.9
71.01368	2.7
73.02960	0.9
80.36510	0.7
83.05045	1.0
85.02993	0.6
87.00871	0.8
89.02454	2.1
98.21815	1.6
98.22484	2.0
101.02448	3.0
107.64406	0.6
108.11662	0.7
111.34088	0.7
113.02463	2.1
119.03481	0.8
132.77484	0.6
136.74861	0.6
137.86160	0.8
161.04523	1.2
167.10791	2.4
179.10675	0.9
179.14386	2.3
183.13892	4.8
193.12366	1.8
195.13899	6.3
201.19794	0.7
205.12355	6.6
211.13416	100.0
212.13745	5.0
223.13414	70.9
224.13834	4.3
224.15852	0.7
235.08273	3.6
240.90048	0.7
253.09334	8.2
417.26547	0.8
441.21164	1.3
447.22412	5.2
459.22528	6.9
520.84991	0.8
635.33759	1.0
636.35980	0.8
672.65948	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	653.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48237	1.0
55.01866	1.0
55.88136	0.9
58.00592	2.3
59.01097	2.2
59.01385	42.2
61.71717	1.0
61.98822	2.9
69.03454	3.3
70.37299	3.3
71.01389	41.4
72.99300	4.1
73.02948	6.9
78.95899	1.3
80.02729	1.3
81.03449	2.3
83.01377	4.1
85.02950	7.9
87.00883	9.5
89.02452	37.0
91.04021	1.3
95.01396	3.0
97.02955	7.9
99.00890	2.6
99.68244	1.0
101.02451	30.6
113.02468	15.3
115.03969	1.5
119.03509	14.7
125.02475	12.4
131.03494	1.0
139.03995	1.7
140.05270	0.9
143.03525	6.2
149.04541	1.0
152.99586	2.6
161.04588	6.8
161.80042	1.0
167.03534	1.1
179.05655	6.2
221.06635	2.4
234.84865	1.0
235.08249	14.9
248.34422	1.0
253.09210	3.7
255.23318	100.0
256.23605	8.6
263.07843	1.4
279.23410	1.1
287.07788	4.2
302.60550	1.0
305.08884	4.7
379.12518	1.4
397.13535	76.3
398.13916	6.9
415.09433	1.8
415.14664	31.9
416.14850	2.9
595.28845	1.7
674.76495	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	655.1524
Annotation	Mearnsetin 3-galactosyl-(1->4)-galactoside
Peak:m/z	Relative Intensity
58.43131	0.5
59.01364	0.7
61.98832	0.6
65.18092	0.5
69.00156	5.1
76.14821	0.5
107.01407	0.9
110.06003	0.6
114.54530	0.5
124.01678	0.7
125.02464	4.3
125.79920	0.5
133.03038	0.9
135.04568	0.9
137.02470	1.1
139.00356	0.7
151.00394	4.4
153.01956	1.0
161.02457	3.4
163.00415	0.7
169.01433	3.0
175.04004	0.7
178.99884	3.9
187.03944	0.7
193.01462	0.5
199.04045	1.4
201.05672	0.5
203.03540	2.5
214.02809	1.1
215.03539	1.8
227.03429	0.8
230.02168	0.6
231.03008	1.6
241.01436	0.7
242.02203	1.5
243.02994	5.4
244.03549	0.9
258.01721	1.0
259.02496	6.8
269.00998	3.8
270.01712	2.4
271.02515	15.3
271.05377	1.1
272.02969	1.7
286.01239	1.7
287.01987	17.5
288.02509	2.1
297.00452	0.7
299.02100	1.0
301.03586	2.5
314.00638	1.5
314.98322	0.5
315.01483	28.4
316.02228	50.8
317.02817	8.1
328.02344	1.4
329.03046	10.7
330.03784	7.5
331.04593	36.0
332.04977	3.6
343.04550	0.6
357.02377	1.0
373.05844	0.7
449.07401	1.4
450.08124	0.8
477.06766	4.8
478.07541	8.9
479.08084	2.0
492.09088	0.6
493.09760	22.0
494.10287	3.2
640.12213	0.8
655.15216	100.0
656.15631	16.6
656.26752	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	655.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84125	0.9
61.98838	1.8
107.47477	0.8
108.02235	1.0
121.02975	1.2
123.00907	1.1
123.04633	1.1
125.02494	1.0
135.04539	1.9
145.02977	1.3
146.03731	2.8
147.00955	0.8
148.05313	0.9
149.06157	1.0
150.05678	0.9
151.00368	3.6
161.06075	1.2
164.04779	1.5
178.05099	1.4
179.07178	2.5
179.10774	1.2
186.03236	1.1
199.03990	2.1
209.11826	2.6
211.04012	1.2
214.02786	3.9
215.03395	1.0
227.03534	2.2
229.33144	1.3
241.01465	9.2
242.02272	7.9
243.02917	5.1
245.00902	9.4
254.02223	2.4
255.02977	5.0
270.01752	28.8
271.02487	18.5
272.02887	1.8
282.01758	4.9
283.02417	1.2
285.04092	12.1
286.04529	1.3
298.01205	13.1
299.02002	38.8
300.02722	11.7
301.03461	4.5
311.01950	2.6
312.02728	1.5
313.03577	100.0
314.04105	15.9
315.05124	11.9
326.04242	3.0
327.04953	1.1
328.11966	5.4
355.04605	3.9
397.05902	1.6
461.07074	5.3
462.08054	2.8
462.68222	0.9
463.10297	4.2
475.09207	16.3
476.09729	10.8
477.10281	4.7
492.15945	1.3
493.11475	10.5
494.11383	1.9
523.32904	1.5
528.04529	0.9
654.06274	0.9
655.16125	1.6
655.36719	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	655.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
59.46714	0.8
60.35035	0.7
61.98825	0.9
67.01877	1.4
68.96761	3.1
68.97177	5.2
69.03475	1.4
71.01377	3.5
72.99312	0.7
73.02943	1.7
73.87125	0.7
79.01888	1.3
79.92270	0.6
83.01365	0.8
85.02951	1.3
87.00894	0.8
89.02431	0.9
95.01385	1.9
97.02982	1.4
99.00889	0.8
101.02444	2.8
107.01396	12.3
111.00912	2.7
123.00888	14.4
125.02467	28.9
127.00395	1.3
136.98792	2.0
139.00392	7.2
140.01175	4.4
141.01974	2.0
151.00383	8.6
163.04022	0.8
163.11319	1.4
165.09166	1.5
168.00642	4.3
169.01447	41.2
170.01714	0.9
171.10231	1.0
207.10298	1.7
209.11852	11.8
210.12251	0.8
211.13443	3.6
225.11314	1.3
227.12813	4.1
231.26515	0.8
243.71829	0.9
247.13606	0.9
253.09203	1.1
265.45117	0.7
355.06937	0.8
383.22449	0.8
398.74847	0.8
401.23474	1.2
419.24188	1.7
493.31683	1.1
569.26465	1.3
611.27124	100.0
612.18292	0.8
612.27399	18.1
637.32532	3.3
655.34717	5.9
656.35480	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	655.298
Annotation	Tricalysioside E
Peak:m/z	Relative Intensity
50.87399	0.4
59.01383	13.2
61.98821	0.7
70.34591	1.1
70.34928	0.4
71.01389	12.3
72.99319	0.6
73.02921	1.5
83.01379	0.8
85.02955	2.2
87.00859	1.7
89.02454	13.7
95.01357	1.1
97.02982	0.4
101.02459	9.1
106.94942	0.4
113.02460	5.2
117.03440	0.7
119.03519	5.7
125.02461	1.2
131.03506	2.1
143.03476	1.6
143.04533	0.4
145.02911	1.8
161.04596	4.4
179.05618	15.9
201.12820	1.4
209.11821	3.6
211.13452	0.7
221.06711	4.2
225.11246	0.4
269.19144	5.2
270.19452	1.1
287.20181	7.1
288.20416	0.7
313.14685	0.9
313.18127	13.0
314.18451	1.6
331.19168	100.0
332.19504	11.3
341.10907	0.6
345.20627	1.0
360.38730	0.5
373.20340	2.4
655.29761	66.4
656.30096	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	655.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99351	1.1
59.01374	2.1
59.70161	1.0
62.96390	1.5
68.12295	1.0
69.03442	1.2
69.20249	6.1
69.20670	3.5
78.95911	98.2
80.02679	1.8
81.03460	3.1
83.01402	1.3
83.05038	7.8
88.98836	1.0
96.96978	8.8
98.21766	2.2
105.06344	1.2
107.01413	1.8
125.02455	5.7
133.11964	1.0
135.04498	1.5
136.05309	11.8
149.06087	3.2
151.76196	1.2
152.99602	54.3
161.37399	1.0
163.11285	6.5
164.08467	1.2
165.09201	5.2
165.12866	4.0
169.01413	5.6
191.10718	2.0
207.10252	1.1
209.11842	100.0
210.12233	8.8
211.13484	1.8
225.11467	1.5
227.12909	9.5
250.47697	1.1
259.15582	2.2
327.21802	1.4
363.12152	18.3
364.12753	1.4
381.12997	5.2
395.14844	13.4
396.15402	1.4
413.15997	3.4
429.29904	2.2
447.31149	2.9
454.75183	1.0
475.30429	1.8
493.31558	7.3
591.25757	34.1
592.25989	4.4
611.27234	7.1
612.26831	1.5
623.28363	40.4
624.28821	8.1
655.29254	6.5
655.36749	23.6
656.30017	1.5
656.37451	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	655.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
59.01382	2.1
69.03481	0.2
70.08384	0.2
70.08737	0.5
71.01386	2.4
73.02935	0.5
73.66602	0.1
78.81828	0.2
79.05511	0.2
80.02687	1.1
81.03465	1.3
83.01391	0.3
83.05037	4.3
84.02174	0.4
85.02967	0.6
87.00877	0.5
89.02452	1.5
90.99216	0.2
95.01363	0.2
95.05023	0.6
97.02963	0.4
97.06580	0.3
101.02441	1.8
109.06600	0.8
111.00865	0.2
113.02489	0.8
119.03534	0.4
121.03022	0.1
123.08129	0.4
125.02431	0.2
125.06123	0.5
125.09708	0.9
135.08167	0.5
143.03510	0.3
145.05072	0.3
147.11833	0.2
149.09773	0.2
161.04547	0.7
163.10042	0.3
163.11305	4.0
165.12875	2.2
165.29295	0.1
166.13254	0.2
168.47546	0.1
171.10271	2.3
172.10588	0.2
181.12372	0.7
183.13936	0.3
185.11884	0.8
191.10757	0.7
197.11957	0.1
203.14438	0.3
207.10310	1.4
209.11842	100.0
210.12175	5.5
211.13420	2.8
212.13748	0.2
223.13379	0.2
225.11327	1.0
227.12898	6.1
228.13278	0.3
235.08253	1.6
235.13284	0.2
241.15825	0.2
247.13432	1.3
249.14946	0.8
251.12973	0.4
253.09296	4.6
254.09708	0.3
265.14478	0.6
321.22220	0.2
339.23471	0.3
357.24371	0.2
373.23792	0.3
383.22101	1.2
384.22504	0.2
391.24954	0.2
401.23315	2.4
402.23700	0.3
419.24390	1.5
440.55585	0.1
444.91904	0.2
445.20798	1.0
446.21323	0.2
611.27582	0.4
619.31097	0.4
637.32306	4.9
638.32733	1.2
655.33154	2.1
656.33655	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	655.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	2.4
61.98830	2.1
68.98679	3.7
68.99083	11.7
71.01397	1.7
78.95910	85.3
83.01431	1.5
83.05051	7.0
88.98824	2.1
96.96994	6.1
98.22527	3.0
123.00883	2.0
125.02505	4.1
136.05305	45.6
137.05783	2.4
149.06058	7.5
150.06894	6.0
152.99597	42.4
161.02597	1.5
162.06950	4.9
163.07721	2.6
163.11346	4.2
164.08504	6.1
164.28976	1.3
165.09198	18.1
165.12938	1.8
166.09639	1.5
168.00685	1.7
169.01433	7.3
207.10286	1.6
209.11841	82.5
210.12268	5.0
227.12910	8.5
327.22034	5.6
339.65872	1.5
363.12100	14.7
381.13443	3.5
395.14813	14.8
401.23236	1.8
413.15839	1.6
414.27579	1.5
419.24753	1.6
429.30411	5.3
432.29041	5.4
446.30661	2.2
447.31061	15.7
465.01898	1.6
475.30911	3.3
492.31506	2.2
493.31714	30.3
494.32410	5.9
505.50168	1.7
591.25830	20.5
591.34015	1.7
592.26257	3.4
601.49493	1.6
611.26996	7.7
623.28442	27.7
623.37665	2.1
624.29291	4.6
637.32892	2.0
655.37433	100.0
656.38141	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	656.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.8
60.68832	0.6
61.98831	1.5
63.45729	0.6
68.39824	0.6
69.08647	3.6
69.09060	2.0
71.01357	1.0
77.08694	0.7
90.32453	0.7
94.15758	0.7
95.05074	0.8
106.34602	0.7
107.05038	0.9
122.03780	1.1
123.04566	3.2
125.02451	1.1
134.03754	11.2
135.04544	19.0
136.04918	0.9
136.07739	1.1
140.21326	0.6
147.04478	1.8
148.05322	18.9
149.04962	1.2
149.06091	6.3
151.06374	0.8
152.07184	8.2
160.01683	2.7
161.02466	1.7
163.11237	0.7
169.01424	1.0
171.10258	1.2
175.04057	5.3
176.03560	0.8
177.04294	1.8
178.05107	20.4
179.05476	1.3
183.13885	1.1
190.05104	5.6
192.06659	0.9
193.12268	0.8
209.11826	12.1
210.12221	1.6
211.13405	9.9
214.12375	1.4
227.12926	2.0
235.08214	0.8
242.10641	1.9
253.09419	1.2
257.12952	7.3
301.11981	8.8
313.09726	1.1
328.11929	100.0
329.12180	9.2
472.16068	1.7
490.17380	1.1
656.26886	2.9
661.83252	0.8
664.49567	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	656.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61661	0.4
59.01393	0.8
61.98835	100.0
68.54860	0.4
71.25743	0.5
71.26108	0.4
141.09241	0.5
183.60399	0.4
195.94572	0.5
280.31140	0.4
465.12421	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	656.366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
64.03313	0.5
93.79250	0.6
108.14803	0.6
112.20806	0.5
115.33411	0.6
128.43443	0.6
129.95947	0.5
211.13467	0.7
298.93887	0.6
318.83002	0.6
370.25311	0.7
391.23746	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	657.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36504	0.6
61.98815	2.5
64.13425	0.6
71.89458	0.5
74.14030	0.6
79.50930	0.6
107.95383	0.6
117.03497	1.0
121.02914	1.4
122.03732	1.1
123.00865	0.8
125.02424	0.7
135.04503	0.8
136.01685	1.6
136.05322	2.9
145.03003	3.1
147.04555	1.1
149.02409	0.8
149.06042	0.9
150.03212	2.8
150.06833	1.8
151.03955	1.3
154.01691	0.5
158.03745	1.4
159.04553	4.2
160.05315	10.4
161.06046	3.4
163.03984	2.0
164.04741	1.1
165.05627	0.8
165.09198	2.0
167.26492	0.7
169.01440	0.7
173.06058	1.5
175.07645	7.0
177.05582	1.9
178.06299	1.7
183.10275	1.7
197.99580	1.7
209.11848	0.8
211.13499	0.9
222.18652	0.7
229.01208	0.7
254.99339	2.1
257.01050	1.7
269.98077	27.5
270.98557	1.9
274.63046	0.6
282.99011	0.9
284.97263	0.8
285.00449	16.2
286.00940	0.8
297.97571	54.8
298.10913	1.6
298.97919	5.8
300.02811	1.1
312.99936	100.0
314.00372	7.9
328.02292	45.6
329.02960	8.5
329.13980	27.4
330.14291	1.7
337.43295	0.6
449.32925	0.7
452.50031	0.6
477.32492	0.7
477.77521	0.8
495.33167	1.3
642.16034	4.1
657.18292	74.1
657.38483	7.0
658.07507	0.6
658.18549	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	657.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
61.98827	1.5
63.88621	0.5
69.59937	0.6
69.80611	2.7
71.01399	1.0
82.95419	0.8
83.05031	1.1
88.56641	0.5
89.02432	0.7
95.05059	0.7
98.21786	0.8
100.85661	0.6
108.04638	0.5
110.06169	0.6
120.04543	2.1
121.05355	2.7
122.06129	6.6
122.70522	0.6
123.04751	0.6
131.19073	0.6
134.06146	2.3
135.06892	0.6
136.07680	10.5
148.05318	0.7
148.97144	0.6
150.06853	0.9
152.07188	2.8
161.07227	0.7
169.01402	0.6
171.11835	1.9
183.13910	1.4
186.09227	0.9
190.05135	2.6
194.47690	0.6
198.09236	1.9
199.10036	1.5
209.11853	17.2
210.12263	1.0
211.13411	22.1
212.13756	1.4
214.12413	9.9
227.08282	2.0
227.12912	3.1
229.09775	3.4
230.11794	3.5
241.09824	7.9
242.10611	14.5
243.10890	0.9
253.09247	1.9
257.12970	91.1
258.13266	6.8
293.09235	0.7
301.11957	100.0
302.12329	7.3
328.11963	1.7
329.12326	2.3
355.13022	4.6
356.13425	0.7
403.02911	0.7
441.25574	0.7
447.22250	1.3
553.20972	0.9
557.07410	0.6
657.38171	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	657.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21613	0.7
59.01376	3.1
61.98840	1.0
64.39968	0.8
70.62473	1.9
71.01385	2.5
81.03471	1.4
83.05032	3.8
84.02171	0.7
87.00831	0.7
89.02441	2.3
89.49278	0.7
95.05074	0.8
101.02443	2.6
113.02414	1.8
131.96329	0.6
161.04599	1.0
163.11288	2.2
165.12888	1.7
169.01462	1.4
171.10280	1.4
181.12453	0.8
182.85034	0.8
183.13889	6.5
191.10812	1.2
193.12370	1.4
209.11853	80.2
210.12160	4.6
211.13414	100.0
212.13776	5.5
227.12914	16.0
229.55917	0.7
235.08272	3.2
249.15109	1.2
253.09286	7.9
345.85031	0.7
389.08389	0.7
447.22241	3.4
653.61560	0.8
657.33606	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	657.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.98818	1.1
69.05836	0.9
69.66399	2.5
69.66833	3.2
71.01384	2.9
71.76470	0.9
72.06590	0.8
74.57549	0.9
78.01626	0.9
81.03472	1.2
83.05029	3.8
87.00858	1.9
88.59319	0.8
89.02460	1.9
101.02438	2.1
113.02470	1.8
161.04602	1.3
163.11249	1.8
165.12862	2.3
183.13887	6.9
193.12399	1.2
199.13455	1.2
209.11838	76.2
210.12064	5.6
211.13403	100.0
212.13699	7.0
227.12915	13.0
235.08231	2.9
249.14900	1.7
253.09328	8.0
259.53922	0.9
358.30609	1.2
444.75122	1.0
447.22272	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	659.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14721	0.8
62.56938	0.9
67.01898	1.3
69.03455	2.1
71.01389	3.1
71.24998	1.3
72.41930	1.0
79.01939	1.0
85.02956	1.7
94.46496	0.9
95.01371	1.8
97.02967	2.2
101.02454	2.0
107.01390	9.8
107.26054	0.9
111.00896	3.3
113.02415	0.9
123.00900	9.0
124.01681	2.4
125.02463	78.4
126.02792	2.0
134.03769	10.2
135.04541	1.3
137.02461	2.4
139.00410	4.8
140.01160	3.4
143.03500	1.4
149.02435	1.0
149.06081	3.0
151.00388	5.5
151.04280	1.2
151.05637	0.9
161.02394	1.2
163.04019	1.2
166.99879	1.7
167.03517	0.9
168.00629	6.5
169.01445	88.4
170.01744	3.4
174.89804	0.9
178.02733	8.5
179.03529	1.8
193.01508	1.4
193.05026	11.5
205.01477	1.2
211.02382	2.2
237.04088	1.0
273.00259	0.9
295.04788	2.4
301.00024	1.3
313.05701	18.7
331.06522	1.1
385.00980	1.0
405.04407	1.0
465.06693	8.0
507.11447	12.1
508.12030	1.8
659.12561	100.0
660.12805	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	659.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03452	17.3
59.01379	2.5
69.91916	6.1
71.58071	1.6
72.28049	1.4
85.02959	53.2
87.03354	1.5
93.03455	1.5
111.00880	2.7
117.00504	1.3
119.05030	12.5
129.01956	100.0
130.02298	1.4
145.02982	4.4
147.02959	3.3
163.04015	8.8
169.01430	1.5
173.00925	67.3
174.01160	1.8
174.43727	1.5
191.01996	49.4
191.05644	16.2
192.02188	1.6
215.67854	1.9
223.05249	1.4
231.06651	3.0
237.75774	1.5
283.23489	1.8
337.05667	16.4
337.09384	3.3
367.46729	2.1
395.69269	1.4
586.80060	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	659.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07961	0.4
65.78928	0.7
69.03456	1.2
69.86328	1.8
71.01389	4.1
72.99321	0.4
79.01900	0.8
81.03457	0.6
83.01379	0.9
85.02956	0.7
87.00884	0.4
89.16357	0.4
92.32234	0.4
95.01414	1.3
97.02956	1.1
101.02454	1.3
107.01405	7.1
111.00875	1.7
113.02447	1.4
121.02970	0.5
123.00889	8.4
124.01743	0.9
125.02461	42.4
126.02797	1.3
127.00394	0.5
135.04573	0.7
136.98804	1.0
137.02464	0.7
139.00412	2.5
139.03993	0.7
140.01187	2.4
140.25716	0.4
141.01917	0.9
149.02388	0.7
151.00398	6.0
151.04008	0.5
153.01906	0.8
165.01944	1.0
166.99854	1.4
167.03513	1.6
168.00682	4.4
169.01443	61.4
170.01799	3.2
179.03462	0.7
181.01491	0.6
191.03426	0.4
193.01471	3.5
195.02985	0.5
205.01392	0.5
207.03169	0.5
211.02528	4.8
219.84622	0.4
222.85696	0.6
223.02554	1.7
235.02406	0.8
241.03500	1.1
243.79794	0.4
249.51474	0.4
253.03572	1.3
295.04623	2.1
297.06268	3.1
298.06613	0.5
298.10748	0.5
313.05679	23.2
314.05994	1.6
314.60361	0.5
460.68781	0.5
465.06775	100.0
466.07129	12.6
547.22839	0.5
659.12219	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	659.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05375	1.1
61.98840	12.7
62.66063	1.1
70.82883	2.1
83.01344	1.3
107.01402	1.4
108.02197	4.0
109.02972	4.6
123.04527	2.6
124.01687	1.5
125.02485	1.9
136.01727	1.4
137.02405	2.7
146.03769	2.9
147.04546	1.0
151.00427	7.1
159.04562	2.6
163.00371	1.5
164.01254	2.1
165.62563	1.0
169.01448	2.8
171.04620	1.3
175.04155	1.7
178.99899	5.8
187.04071	2.0
199.04094	1.3
202.05051	1.2
203.03549	4.7
214.02766	3.2
214.05110	2.7
215.03471	3.9
216.06616	1.2
223.47606	1.0
227.03412	1.4
231.02980	4.0
242.02174	3.8
243.03018	6.7
259.02530	10.5
267.06604	2.4
268.07501	1.2
270.01709	5.2
271.02499	27.7
272.02884	1.6
282.08936	1.2
283.09851	1.8
287.01987	25.3
287.05164	1.6
288.02545	3.6
289.07248	1.4
314.00693	1.6
315.01523	28.3
315.04694	1.3
316.02240	82.2
317.02808	15.3
321.09970	1.4
322.10971	4.5
324.08646	1.4
327.05057	1.1
329.03040	2.0
330.03787	7.1
331.04626	46.1
332.05130	4.0
335.05692	1.3
336.12375	3.5
338.10297	1.3
445.15228	2.2
460.17679	16.2
461.18365	2.5
475.08813	2.6
493.10071	3.7
573.12769	3.1
623.23999	27.3
624.24261	3.8
644.18451	1.3
659.19891	100.0
660.20184	21.6
660.30713	2.3
676.72528	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	659.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01708	1.3
59.01374	1.6
61.98839	1.8
63.48379	1.4
71.01360	2.4
71.27124	1.5
82.45419	1.5
96.96022	1.6
108.02183	2.5
109.02953	4.1
118.56386	1.5
122.06113	4.8
125.02459	4.5
134.06160	1.8
135.04543	8.3
150.05618	2.2
152.07162	3.8
158.03757	2.2
159.04491	6.9
169.01425	5.4
171.10248	3.3
173.06104	3.5
179.03510	4.5
185.11847	2.6
188.07170	1.8
195.10265	5.1
197.11771	2.4
199.13516	1.6
209.11835	5.1
213.11295	2.7
214.05153	9.7
227.12952	7.6
253.09277	3.0
266.05859	4.5
267.06644	12.1
268.07373	4.3
281.08167	6.9
282.09027	8.7
283.09686	14.4
295.10730	3.4
297.11346	4.1
322.07083	5.3
322.10913	5.0
326.10217	2.0
336.08646	3.7
336.12415	9.4
428.11334	2.1
429.11987	3.9
430.12985	3.4
443.13730	3.5
444.14392	18.6
445.15366	10.0
458.15976	4.6
460.17798	26.1
461.18359	4.0
479.15378	2.2
504.17764	10.9
536.20410	6.3
609.23370	2.2
623.23993	100.0
624.24402	23.9
650.66467	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	659.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
59.01387	1.8
60.39403	0.8
61.46744	0.7
61.98820	2.0
65.03960	1.8
65.04276	0.8
71.26698	0.8
71.35518	0.7
83.01407	0.9
84.95132	0.8
93.03468	70.1
93.80963	0.7
94.03815	1.6
96.96039	1.8
97.02928	1.0
107.01438	1.8
109.02959	2.3
121.02952	1.3
123.00866	1.7
123.04543	2.1
124.01665	1.0
125.02464	36.4
126.02778	1.1
133.03017	1.0
137.02460	100.0
138.02780	3.7
139.00381	0.7
150.03198	1.2
151.00368	2.3
151.04019	5.9
161.02502	4.6
163.00349	1.2
165.02051	1.2
167.03403	1.1
169.01445	27.8
175.04063	1.4
177.01956	2.4
193.05098	0.8
199.04059	1.1
205.05104	0.8
207.77998	0.8
209.04951	1.4
217.05110	0.9
227.03632	1.0
243.02982	2.5
245.04536	1.8
269.04617	2.3
271.06232	0.8
287.05603	2.4
289.07159	4.3
298.01416	1.0
303.05090	4.9
313.05829	1.2
315.01321	1.0
345.06140	2.5
407.07794	1.7
479.16931	1.2
507.11276	2.6
659.21295	2.3
660.16614	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	660.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.98834	26.5
71.27700	5.0
88.98827	3.2
93.03475	5.8
100.33675	2.6
104.95555	2.5
123.04565	3.3
125.02431	16.9
136.13046	2.6
137.02464	19.7
149.02495	3.3
151.00348	2.8
151.04062	6.0
159.04489	2.5
165.02007	3.5
169.01425	8.9
227.03648	3.9
243.03006	8.1
251.09311	5.6
254.02356	3.2
255.02917	17.8
271.02460	36.1
272.03046	3.1
299.02045	12.5
300.02777	100.0
301.03217	11.1
315.05142	79.3
316.05521	4.7
444.14453	3.9
472.17691	3.1
594.89087	2.9
597.12524	73.0
598.12939	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	661.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87202	0.7
67.01892	0.8
69.03447	2.3
71.01379	2.5
79.33295	0.6
81.03442	1.4
83.01396	0.9
85.02935	1.3
95.01392	2.2
97.02969	2.2
101.02406	1.0
107.01398	13.2
108.02189	8.4
109.02975	1.4
111.00867	1.9
113.02480	1.4
121.56374	0.5
123.00872	7.3
123.04543	8.4
124.01678	1.9
125.02459	94.0
126.02789	3.4
127.00425	0.8
135.28490	0.6
136.01675	12.6
136.98787	1.4
137.02435	2.7
137.03407	0.6
139.00377	2.8
140.01178	2.5
140.94189	0.8
141.01979	0.7
143.03490	2.0
151.00427	4.5
151.04019	8.8
152.01143	0.7
153.01978	0.7
161.02370	1.1
163.03978	1.2
166.99886	1.6
168.00610	5.2
169.01437	100.0
170.01785	3.9
177.01936	0.8
179.03441	1.1
193.01489	1.9
195.02956	1.5
211.02490	1.4
221.04538	0.8
223.02545	0.8
237.04114	1.2
241.03606	0.7
253.03622	1.2
295.04630	2.8
310.27463	0.7
313.05679	21.2
313.09244	1.3
314.06024	1.0
391.48929	0.8
405.04913	0.8
437.10995	0.8
447.09592	1.2
465.05768	15.0
466.06735	1.9
509.09494	1.7
510.09888	1.0
617.01196	1.3
617.11530	36.5
618.11621	6.5
661.10510	50.3
662.10846	8.4
691.42786	0.8
691.55231	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	661.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46749	0.4
57.03451	0.9
65.78913	0.5
67.01904	0.8
69.03467	1.1
69.49953	1.6
69.50361	1.0
71.01387	4.1
72.99299	0.6
78.91869	0.6
79.01910	0.7
81.03477	0.5
83.01402	0.9
85.02959	1.6
95.01421	1.2
97.02959	1.1
101.02474	1.1
102.42509	0.5
103.13138	0.5
107.01405	7.0
109.02988	1.1
110.00139	0.6
111.00908	1.5
113.02438	1.6
119.61121	0.5
121.02976	0.6
123.00909	7.8
123.04562	0.7
124.01685	1.3
125.02465	48.3
126.02821	2.0
136.98845	0.8
137.02463	1.3
139.00398	3.1
140.01189	2.3
141.01987	1.1
149.02388	0.9
150.03255	4.4
151.00378	4.7
151.04034	1.7
159.79353	0.5
161.02463	0.9
165.01959	0.8
165.05586	1.6
166.05876	0.5
166.99892	1.2
167.03513	1.4
168.00682	3.9
169.01443	65.1
170.01808	2.7
177.01878	0.7
179.03543	1.3
180.04286	1.3
183.02985	0.5
191.03464	0.9
193.01428	3.5
211.02518	4.5
223.02571	1.6
241.03568	1.3
253.03462	0.6
289.07175	0.7
295.04688	2.3
297.06168	2.6
303.05142	0.6
313.05688	22.4
314.06046	2.1
394.20551	0.4
449.07385	0.6
455.61938	0.5
465.06772	100.0
466.07062	11.8
631.16846	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	661.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	16.5
59.36655	0.9
67.21764	0.7
69.03460	1.6
69.07717	7.5
72.61089	0.9
81.03462	2.4
83.01399	8.6
88.48094	0.7
90.32293	0.8
92.54739	0.8
93.03474	3.3
98.62354	0.7
105.03433	1.2
107.01424	1.3
109.02984	7.6
111.00894	2.3
115.05550	1.1
117.03467	1.7
121.02941	7.2
122.03751	2.6
123.04536	2.7
124.01693	1.2
125.02461	100.0
126.02808	2.5
132.02122	1.1
133.02985	1.8
134.03767	11.1
135.04594	5.3
137.02463	49.3
138.02808	1.7
139.04021	1.8
145.02968	27.2
146.03751	4.6
149.02452	18.1
149.06070	3.0
149.07150	0.9
150.03252	18.6
151.03973	1.8
159.04541	10.0
160.01689	5.3
161.02480	6.2
161.06090	6.1
164.01207	4.1
164.04814	1.7
165.01962	16.1
165.05586	19.0
169.01443	1.4
175.04008	8.9
176.04616	1.0
177.02008	1.0
178.02705	3.2
179.03481	1.0
180.04321	1.6
183.04501	3.4
185.06062	7.7
187.04008	7.9
193.05093	20.1
195.06616	11.3
199.07661	1.0
201.05579	4.5
203.07191	6.1
205.05075	1.0
209.06111	3.0
211.04085	2.3
213.05620	3.4
214.06346	1.1
225.05623	0.9
227.03600	1.4
227.07114	5.4
229.05042	3.4
230.02167	1.9
239.07112	1.2
241.05081	7.6
242.05754	1.8
243.06630	1.1
245.08247	1.9
253.05109	12.2
254.05713	1.5
255.06654	1.1
256.03876	1.5
271.06146	48.4
272.06454	3.5
282.08987	1.9
284.06784	1.0
289.07272	5.0
297.07755	1.9
299.09256	1.0
300.02698	1.3
311.09219	1.1
314.07922	1.7
315.08658	1.9
316.48895	0.9
321.08191	1.0
341.06638	1.6
341.10251	11.5
342.10681	1.7
377.10474	1.3
379.11563	2.0
389.12585	5.2
419.11282	1.3
420.11993	4.1
421.12946	8.2
435.14795	1.5
463.14130	1.3
465.11929	1.1
475.13962	2.0
493.15002	1.8
511.16116	19.2
512.16467	3.7
523.15979	1.1
559.16400	1.2
569.17773	1.7
617.20294	8.9
618.20715	1.5
643.18140	1.6
661.19098	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	661.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45575	1.5
55.64576	1.8
55.80336	1.5
57.03456	15.9
59.01380	6.0
71.01391	3.5
71.99693	1.7
73.83965	1.7
76.86379	1.7
78.12688	1.9
84.02197	3.2
85.02960	100.0
86.03284	1.7
87.19451	1.5
90.78790	1.4
117.03499	4.7
145.02983	14.0
147.03035	23.4
163.04056	2.8
169.01537	2.5
172.59900	2.2
191.02002	93.6
228.65768	2.0
275.01926	1.9
293.06677	7.2
300.99948	5.0
323.13440	3.6
325.21994	1.8
337.05682	7.8
362.40912	1.9
480.37997	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	661.2149
Annotation	BK 223B
Peak:m/z	Relative Intensity
53.91346	1.5
59.01376	9.0
71.01382	6.4
75.25370	1.4
77.81712	1.5
79.01888	3.3
89.02428	3.2
92.82669	1.5
95.01408	8.0
96.96040	1.9
97.02961	1.9
107.01392	1.9
109.02987	2.2
111.00914	3.6
113.02490	1.8
123.00895	33.5
125.02449	18.9
129.15117	1.4
136.01591	1.9
137.02438	2.8
139.00366	13.3
140.01151	4.6
141.01898	3.0
145.02905	2.8
151.00389	4.7
161.02452	1.8
162.03244	19.8
163.04018	3.5
166.99858	14.3
168.00636	8.4
169.01436	23.6
177.05545	8.5
183.03012	5.2
185.08051	1.5
194.99359	2.5
229.82916	1.8
241.04991	1.8
255.03040	2.0
271.02576	2.6
275.02036	6.9
285.52835	1.5
290.56296	1.5
300.02798	8.4
301.03534	4.5
303.08752	1.9
314.07983	3.8
317.06674	10.7
318.04361	2.1
318.07416	9.9
323.01721	2.5
326.18915	1.7
331.08249	15.3
332.09012	56.9
333.09689	16.6
347.11362	7.1
382.33685	1.7
387.10815	14.4
388.11627	1.7
445.07986	6.9
490.64899	2.2
493.15128	46.3
494.15457	6.5
563.00342	1.8
643.20160	6.4
644.20947	3.2
661.21429	100.0
662.21747	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	662.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88119	1.3
57.03456	1.4
63.02399	1.7
63.36249	1.5
65.00316	1.5
66.26328	1.3
68.91019	1.3
69.56751	8.4
71.01376	1.9
76.89019	1.3
88.98817	1.6
93.03495	1.7
96.96004	2.2
98.14054	1.7
102.07857	1.2
107.01419	4.7
107.34271	1.3
107.79482	1.5
109.02947	2.2
123.00928	1.9
125.02456	20.9
126.02811	4.4
151.00409	8.8
151.03999	1.6
153.01982	1.4
158.00221	1.3
159.04556	1.7
163.00375	2.2
165.01889	1.9
168.00638	2.0
169.01451	15.9
170.01746	2.7
185.06076	1.9
187.04002	3.3
229.05022	9.4
241.05077	1.8
257.04565	7.8
271.02335	2.0
285.04068	100.0
286.04358	9.7
313.05637	13.6
362.09357	1.4
599.10333	5.9
612.61328	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	663.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41139	1.5
59.63858	1.8
68.99814	1.5
71.01363	1.5
95.01390	16.2
107.01380	4.7
117.03474	2.7
119.05062	3.0
123.00903	29.2
125.02452	17.3
133.02951	4.1
137.02483	2.5
139.00351	3.0
141.02000	2.1
142.22942	1.5
145.02985	11.7
147.04514	4.1
149.02385	1.8
155.01451	1.6
157.02946	6.7
161.02440	6.8
163.00423	2.7
163.03969	8.1
165.01958	2.9
166.99876	13.2
169.01411	13.3
172.01563	2.0
173.02419	9.6
175.04025	7.7
177.01949	4.5
178.56023	1.5
179.03439	1.9
185.02541	1.5
189.01917	9.3
190.02679	3.8
191.03580	14.8
199.00359	4.4
201.01926	18.9
203.03499	10.8
209.00891	3.6
214.99808	1.9
217.01408	13.8
219.02950	6.4
226.99828	5.7
229.01448	17.2
230.01852	2.1
231.03023	10.1
242.99379	2.8
245.00928	20.3
247.02501	34.5
247.72243	1.6
254.99353	2.0
257.00876	4.5
261.00436	4.2
263.01953	3.9
270.98874	6.3
272.97766	2.9
273.00443	34.2
275.02002	6.4
291.01443	13.7
294.48679	1.7
298.98303	10.1
299.98959	3.6
300.99850	11.0
315.30423	2.4
316.99405	3.1
335.00366	2.5
443.02716	2.6
516.98383	1.9
517.95258	1.6
587.06519	3.5
603.05652	4.5
613.04730	100.0
614.04871	16.7
631.05548	23.4
632.06384	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	663.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66567	4.0
69.66973	6.4
71.01376	1.9
79.01900	2.2
83.90962	1.7
95.01395	11.4
98.21895	2.4
105.90213	1.6
107.01409	4.6
117.03464	3.4
123.00885	22.9
125.02459	21.6
129.03474	3.8
133.02956	3.6
135.04507	3.0
139.00403	2.0
144.02155	1.7
145.02966	13.6
147.04517	7.2
157.02950	7.5
159.04298	1.7
161.02475	8.0
162.03258	1.7
163.00403	2.4
163.04083	8.1
165.01927	2.9
166.99873	7.9
169.01447	14.7
171.00778	2.8
173.02457	9.4
175.03990	11.3
177.01929	4.3
185.02480	2.1
189.01883	9.2
190.02667	3.1
190.99858	2.5
191.03503	18.8
192.03784	2.3
193.01427	1.9
199.00354	3.1
200.01105	1.9
201.01944	18.5
203.03537	15.4
209.00887	3.4
217.01428	16.0
218.02045	3.2
219.02942	8.3
226.99849	5.2
228.00557	3.0
229.01425	18.8
230.02092	3.5
231.02986	8.5
235.02425	2.3
244.00072	1.9
245.00859	20.5
247.02472	32.7
254.99245	1.7
257.01044	2.1
263.01984	6.9
270.98880	5.7
273.00403	38.5
274.00574	2.5
275.02054	8.4
291.01459	22.1
298.98407	10.1
299.98877	4.0
300.99979	16.3
301.03094	2.4
305.03223	2.6
316.99451	3.7
335.00461	3.4
349.01932	2.3
417.04712	3.7
443.02402	2.4
461.03796	2.4
530.23969	1.9
587.06866	4.7
603.06287	6.3
613.04755	100.0
614.05133	13.9
631.05756	26.1
632.06012	3.3
663.08057	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	663.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47253	1.1
87.30461	1.4
91.12381	1.3
91.51744	1.2
91.52401	1.1
95.01387	9.4
107.01418	5.3
117.03485	4.2
119.05048	2.2
121.02964	2.5
123.00903	19.4
125.02464	23.1
129.03473	1.7
133.02963	5.2
135.04532	3.0
139.00348	1.5
145.02962	14.3
147.04547	4.6
148.01657	1.8
149.02455	3.7
151.00406	1.7
157.02965	5.8
159.04517	1.6
161.02472	9.6
162.03241	1.3
163.00363	3.0
163.03986	7.2
165.02005	3.4
166.99889	7.1
169.01445	17.3
171.00931	3.4
173.02457	14.7
174.03119	1.8
175.04015	7.5
177.01944	4.9
178.99924	1.9
185.02435	3.8
189.01938	16.6
190.02708	4.6
190.99811	2.0
191.03549	8.9
193.01550	2.3
199.00386	3.5
200.01157	1.6
201.01955	16.9
203.03574	6.9
205.01479	1.4
209.00890	2.4
211.02484	2.7
214.99715	1.2
216.00644	3.0
217.01447	23.2
218.01955	1.6
219.03000	6.1
221.00891	1.8
223.02454	1.4
226.99879	4.7
228.00607	1.8
229.01462	19.0
230.01985	2.6
231.02963	7.3
233.00883	2.1
235.02563	2.4
242.99362	3.5
243.03249	1.7
244.00174	6.0
245.00948	40.5
246.01529	3.7
247.02522	25.3
248.02896	1.9
249.03966	1.6
254.99437	3.6
257.00769	2.3
261.00443	4.2
263.02054	2.3
270.98978	5.9
271.99615	2.6
273.00443	100.0
274.00891	8.3
275.02051	8.1
290.00903	2.2
291.01538	19.8
295.04556	1.6
298.98312	15.1
299.99066	5.6
300.99893	14.0
305.03131	3.8
313.05637	2.9
316.99408	4.3
331.01166	2.3
349.02087	2.9
403.03073	1.7
417.04510	3.0
443.02960	1.9
445.04053	3.0
451.05347	1.5
461.03424	3.0
493.06348	2.0
569.05438	2.6
579.90967	1.4
587.06921	4.9
603.06146	5.1
613.04785	79.1
614.05011	12.5
619.08972	1.5
631.05841	19.0
632.05865	4.6
663.08209	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	663.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35217	4.2
69.67121	18.2
71.01395	5.1
74.94702	4.2
83.01357	3.6
89.95856	3.7
95.01391	8.2
102.53867	3.7
107.01427	14.2
109.02951	5.8
111.00870	5.6
117.03443	8.7
119.05048	6.6
123.00892	26.9
125.02456	59.7
129.03532	4.6
133.02988	5.6
134.15628	4.0
137.02473	12.1
139.00328	4.3
141.01947	3.8
145.02977	25.1
147.04543	11.1
149.02477	8.7
151.00401	9.7
157.03004	8.9
161.02483	29.9
162.03188	7.0
163.00333	7.3
163.04016	18.4
165.01958	12.4
166.95195	3.8
166.99942	7.4
169.01450	58.7
171.00888	6.9
172.71086	4.1
173.02481	19.4
175.04027	22.2
177.01965	12.2
178.99893	13.1
185.02423	5.7
189.02016	24.8
190.02684	28.3
190.99872	5.2
191.03522	38.5
193.01385	7.0
200.01187	4.6
201.01991	38.6
202.02510	4.1
203.03519	27.4
209.00920	17.0
216.00745	5.4
217.01421	45.5
218.02264	9.0
219.02975	16.2
221.00902	4.0
226.99950	7.0
229.01442	29.2
231.02977	11.4
235.02490	10.0
244.00146	8.9
245.00888	34.5
246.01654	14.9
247.02519	52.6
248.02934	7.4
254.99385	10.0
261.00375	10.3
261.04092	7.1
263.02066	15.6
270.98862	11.0
271.95773	3.6
271.99222	3.9
273.00443	66.1
275.02069	4.9
277.03580	7.1
279.05264	5.9
287.02164	9.0
291.01590	19.6
298.98364	30.5
299.98944	5.0
300.99979	18.1
303.01532	9.3
305.03107	32.4
307.01147	7.4
307.04742	4.6
331.00955	20.8
335.00409	4.4
349.02075	36.5
391.02841	7.7
417.04825	6.1
421.04282	7.4
443.02695	6.0
451.05496	12.2
493.06360	11.3
511.07370	8.2
575.06531	5.7
587.06799	12.2
603.06097	10.9
613.04767	100.0
614.04962	17.8
619.09186	10.0
631.05536	32.5
632.06866	6.9
663.08374	51.7
664.08813	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	663.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54970	0.8
69.03455	1.2
81.03445	0.7
85.02949	1.3
95.01385	1.5
95.61011	0.6
97.02954	1.2
98.76243	0.7
107.01385	0.7
123.00900	2.8
124.01626	0.8
125.02457	52.7
126.02772	1.5
139.00351	0.8
145.02951	1.2
147.04486	0.7
153.23836	0.7
163.00276	0.8
163.04037	1.1
166.99854	1.4
169.01436	100.0
170.01768	3.1
173.02470	1.0
175.04094	1.2
189.01949	1.0
191.03450	1.9
201.01935	2.4
203.03571	1.5
217.01425	1.7
219.02858	0.8
229.01439	2.3
230.01836	0.9
231.02977	0.8
245.00848	2.1
247.02493	4.3
263.02032	0.9
273.00366	3.2
276.86395	0.6
291.01599	1.0
298.98282	2.2
301.00024	2.1
331.06732	24.6
332.07022	2.1
333.04877	0.6
613.04718	10.3
614.04865	1.6
631.05902	2.2
663.08881	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	663.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64273	0.7
57.03440	0.9
59.01380	1.2
72.99314	12.9
73.02939	1.3
81.07121	1.8
83.01347	0.8
85.02950	1.1
85.06549	0.8
95.01376	1.6
99.08159	7.0
101.06110	1.1
106.22116	0.7
109.02966	0.7
113.06100	2.6
115.07661	44.6
116.07979	1.7
123.00890	4.3
123.04552	3.5
125.02451	6.3
125.06106	1.2
129.05595	25.7
130.05876	0.9
131.05940	0.6
139.00475	0.7
141.02003	0.9
143.07149	17.8
145.02942	1.3
147.04480	1.0
151.00369	1.9
151.02847	1.3
151.04008	11.5
153.01942	10.7
157.02963	1.1
159.04448	0.8
159.06641	2.8
161.02509	1.0
166.99854	1.0
169.01463	3.6
173.02370	1.7
177.01955	1.0
179.03577	0.8
189.01794	0.9
191.03520	1.7
201.01920	3.4
205.07181	100.0
206.07463	3.8
217.01334	0.9
219.02980	0.9
229.01430	1.9
247.02560	4.0
260.20221	0.7
273.00412	3.0
291.01511	2.0
298.98264	1.0
301.00009	2.0
303.05103	11.3
320.61249	0.7
382.18854	0.7
442.60263	0.8
457.07651	5.8
458.07724	1.4
613.04712	8.9
614.05139	2.1
631.05750	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	663.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01384	2.9
59.45355	1.2
66.47445	1.0
67.01887	1.6
69.03489	1.6
69.06666	12.0
71.01389	5.7
79.01918	1.4
80.91702	2.0
83.01392	1.8
85.02975	1.6
95.01392	2.7
97.02984	2.8
98.22529	2.2
101.02455	2.0
107.01422	12.6
111.00867	3.8
113.02451	2.3
121.02946	1.3
122.03772	3.6
123.00900	18.3
123.04558	2.4
124.01678	3.3
125.02464	73.2
126.02769	3.6
136.98833	2.4
137.02481	1.9
138.03232	1.9
139.00412	6.4
139.04007	1.6
140.01207	6.4
141.01909	1.9
142.80675	1.1
151.00374	10.6
151.04045	1.3
153.01894	1.7
153.03035	1.3
165.01949	1.2
166.99747	1.4
168.00623	6.5
169.01445	100.0
169.86064	1.2
170.01752	6.2
171.02188	1.7
182.05817	5.2
183.02995	4.2
197.08247	4.7
211.02489	2.8
238.63579	1.3
241.03595	2.2
308.06912	1.2
313.05670	27.7
314.06055	3.0
315.06161	2.3
334.07080	2.8
337.50638	1.3
349.09290	31.2
350.09729	2.7
419.17291	2.3
426.12427	1.4
441.15640	2.7
465.06781	3.2
466.07184	8.2
467.07187	11.4
468.07617	1.6
493.13422	1.7
511.14609	96.3
512.14905	13.0
557.46692	1.4
581.22583	11.4
582.23456	2.1
601.12494	1.6
603.20435	9.2
647.19800	1.8
663.15692	76.5
664.16089	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	663.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83416	1.4
59.01387	4.4
61.98823	3.5
71.01394	3.6
71.27582	3.2
85.02933	1.6
89.02477	1.7
96.96011	7.7
101.02477	2.4
113.02471	2.6
113.20391	1.5
117.03487	25.7
119.05034	37.8
120.05367	3.0
125.02424	8.5
132.02190	13.3
133.02950	1.9
134.03760	18.8
135.04533	2.9
136.01680	1.8
145.02971	100.0
146.03288	3.5
147.04549	1.8
149.06079	3.3
150.30754	1.6
150.87035	1.5
151.04034	2.1
153.73790	1.5
160.01678	55.4
161.02393	6.6
163.04021	30.1
164.04430	2.0
167.03474	1.9
169.01436	3.6
173.06128	2.0
175.04021	65.3
176.04628	2.3
178.02806	2.0
179.03555	2.6
189.55336	1.8
191.07170	2.8
193.05066	14.6
217.05104	1.9
235.06145	12.1
295.08237	4.5
301.00430	1.7
307.08096	9.7
337.09180	1.7
469.13467	7.9
487.14621	20.2
488.14880	1.9
499.14600	4.6
504.20142	1.8
517.15594	5.7
627.23212	2.4
663.19293	44.4
664.19568	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	663.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01371	0.5
69.08586	4.0
71.01392	1.3
87.00867	0.6
89.03989	0.5
109.02973	0.7
116.92891	0.5
117.03481	30.4
118.03822	1.4
119.05060	2.1
125.02463	5.2
126.02768	0.5
132.02167	0.9
133.06657	0.4
134.03761	6.8
137.02458	0.5
145.02971	100.0
146.03307	4.6
149.06100	0.7
153.20599	0.4
160.01677	5.3
161.02409	2.4
163.04015	2.3
169.01453	6.0
175.04013	7.3
176.04663	1.0
177.01952	1.0
179.03589	0.5
191.07199	1.3
193.05095	5.9
235.06122	2.4
258.19168	0.4
265.07275	0.7
289.07227	0.5
295.08237	0.8
307.08282	1.2
355.10120	0.6
487.13928	0.5
495.34332	0.6
499.14447	1.9
517.15735	7.6
518.16321	1.0
663.19360	9.5
664.19836	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	665.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27011	0.9
67.00105	1.0
67.82100	0.9
71.25787	0.9
75.02580	1.0
83.20467	0.8
85.02994	1.0
87.50661	0.8
94.09991	0.8
95.01418	1.3
107.01429	3.1
123.00917	3.4
125.02462	13.8
126.02761	0.9
137.02481	3.3
145.02956	1.3
147.04553	3.4
149.02457	0.9
157.02905	0.9
159.04541	2.1
161.02368	1.4
163.00417	2.6
165.01991	2.1
169.01447	12.6
173.02478	3.2
175.03979	4.8
177.01968	3.7
185.02475	3.9
187.04013	1.4
189.01953	1.6
191.03513	5.8
193.01491	2.8
200.25978	0.9
201.01988	7.5
202.02272	1.4
203.03534	8.6
209.00996	1.3
213.02008	2.2
217.01404	0.9
218.02184	1.0
219.03021	2.7
220.78731	1.1
229.01389	14.8
231.03011	8.4
237.00417	2.8
245.00934	3.8
247.02592	6.4
248.02911	1.2
249.04015	8.2
257.00964	16.9
258.01633	5.7
259.02209	1.4
273.00516	2.3
274.01257	1.4
275.01990	100.0
276.02286	8.0
283.99619	2.7
299.99219	1.8
300.99924	57.7
302.00433	5.1
313.05869	1.8
319.00809	1.7
342.64441	1.0
437.07236	3.1
463.05008	0.9
513.67340	1.1
615.05927	1.4
633.07343	40.7
634.07727	5.3
665.09937	3.8
666.10052	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	665.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11321	1.5
53.85973	0.9
59.01366	1.7
62.14410	1.0
66.03078	1.0
69.82468	5.1
71.01360	1.4
85.02971	3.1
95.01405	1.7
99.07941	1.1
107.01414	3.7
109.02949	2.2
113.02386	1.2
119.05008	1.7
123.00922	4.9
125.02459	18.9
133.02956	1.8
135.04590	1.3
137.02452	14.5
145.02937	3.1
147.04559	1.9
149.02464	1.5
151.00327	2.0
157.02895	1.2
159.04544	4.2
163.00394	2.3
163.04053	3.0
165.01993	5.6
169.01433	16.4
173.02470	3.4
175.04007	6.4
177.01910	3.2
185.02362	6.2
187.04031	2.1
190.02679	1.6
190.99762	1.3
191.03516	4.0
193.01454	9.6
201.01932	6.4
203.03476	11.8
205.01430	1.3
205.05028	2.0
209.00954	2.9
211.02606	1.3
213.01949	3.5
217.01511	1.8
218.99478	1.7
219.03017	3.0
221.04558	2.3
229.01445	17.5
230.01869	1.6
231.02997	14.0
237.00406	10.7
245.00897	3.8
247.02528	4.9
249.04041	22.1
250.04405	2.4
254.99176	1.2
257.00931	14.1
258.01639	5.2
273.00424	3.0
274.00952	1.3
275.02008	65.1
276.02344	7.2
283.99606	2.2
293.03009	2.3
299.99167	3.2
300.99930	100.0
302.00247	7.5
307.04794	1.4
325.05707	1.9
333.02640	1.2
481.05853	2.7
495.08029	1.6
590.15759	1.1
615.05200	1.4
633.07373	72.5
634.07703	13.7
655.81683	1.2
665.09821	16.3
666.10492	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	665.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
69.12085	15.6
85.02979	3.2
92.07362	1.6
95.01370	3.5
107.01369	4.9
109.02972	1.8
111.00841	2.0
115.05650	1.5
118.31054	1.5
122.83921	1.9
123.00868	5.7
125.02460	17.4
126.96883	1.6
131.05028	2.0
137.02443	5.2
147.04541	2.7
159.04466	2.0
163.03970	3.1
169.01450	12.2
175.04001	6.1
177.01979	2.5
185.02397	4.4
187.04016	4.0
191.03511	4.5
193.01454	4.4
201.01944	5.5
203.03561	14.8
204.03864	1.8
211.02405	2.5
217.01393	2.0
219.03087	2.3
221.04562	1.9
229.01457	15.1
231.02980	19.2
232.03209	2.3
237.00374	4.5
245.00946	4.0
247.02432	4.9
249.04082	28.9
250.04315	2.0
257.00906	18.0
258.01630	5.2
273.00330	4.4
275.01996	52.4
276.02277	5.7
283.99582	3.5
293.02914	2.0
299.99081	3.4
300.99911	100.0
302.00345	10.0
353.04868	1.7
481.06305	2.6
615.05389	3.5
633.07336	75.0
634.07538	10.6
665.09851	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	665.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74511	3.5
69.74918	4.8
84.15041	1.5
85.02956	2.4
95.01382	2.1
98.21835	2.6
107.01405	3.5
109.02954	2.8
111.00899	1.8
119.26883	1.9
123.00916	5.1
125.02454	17.1
127.81415	1.6
137.02449	8.3
145.02968	3.3
147.04507	3.2
149.02457	2.8
159.04532	3.6
163.04042	3.4
165.01974	3.3
169.01457	18.1
173.02444	4.0
175.03990	3.9
177.02016	3.2
185.02451	5.3
187.04074	2.2
189.01910	2.3
191.01964	2.5
191.03514	4.4
193.01434	6.3
196.28217	1.7
201.01965	7.0
203.03497	11.9
205.01527	2.3
205.05025	3.1
209.00893	2.5
211.02499	2.0
213.01912	4.1
219.03015	3.8
221.04659	2.0
229.01411	12.1
231.02977	15.4
237.00470	7.9
245.00914	5.0
247.02574	4.7
249.04100	20.6
253.89233	1.8
257.00949	14.2
258.01688	5.8
273.00360	1.8
275.01999	48.7
276.02441	2.2
300.99936	100.0
302.00339	8.5
325.05731	2.0
331.06827	2.1
333.02426	2.1
396.18558	1.7
421.03983	2.0
633.07385	62.1
634.07941	11.1
665.10083	20.9
666.09729	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	665.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50988	0.5
62.95475	0.5
71.01390	0.8
85.02946	0.6
95.01411	0.9
100.71070	0.5
107.01419	2.3
109.02941	0.7
123.00887	3.0
125.02463	7.5
130.16489	0.5
137.02460	3.4
140.01134	0.7
145.02902	1.2
147.04527	1.5
157.02988	1.2
159.04514	0.7
161.02460	0.8
163.00389	1.8
163.04120	0.8
165.01959	2.2
168.00697	1.2
169.01433	5.5
173.02478	2.0
175.04048	2.0
177.01926	0.9
185.02507	4.4
189.01854	0.8
190.02600	0.5
191.03505	1.2
193.01408	3.6
201.01910	3.2
203.03549	5.2
204.03981	0.5
205.01340	1.0
205.05051	0.7
206.46271	0.5
207.03046	0.9
209.00847	1.4
211.02460	1.9
213.02022	1.1
217.01543	1.1
218.99438	0.8
219.02934	1.4
228.00468	0.7
229.01413	8.6
231.03026	3.0
237.00389	1.0
245.00858	3.6
247.02513	2.3
249.04028	3.2
257.00916	9.3
258.01566	1.8
273.00476	2.5
274.01016	1.2
275.02005	26.1
276.02365	2.2
283.99634	2.0
299.99103	2.1
300.99924	100.0
302.00244	8.7
331.06683	1.4
421.04227	4.9
453.06799	1.9
463.05200	2.2
495.08023	1.2
622.57239	0.7
633.07367	41.3
634.07739	8.3
665.09967	9.0
666.10083	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	665.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37378	0.9
72.39528	0.9
83.01421	1.2
98.22516	4.0
107.01392	2.4
118.80012	1.0
123.00924	2.7
125.02460	11.7
137.02513	2.6
145.02975	1.5
147.04550	1.2
159.04543	2.1
163.04019	1.4
164.10757	0.9
165.01953	2.0
167.18922	1.0
168.00645	1.2
169.01443	8.3
173.02440	2.4
175.03952	2.0
185.02478	3.1
189.02054	1.4
190.99792	1.5
191.03519	2.3
193.01450	4.1
201.01961	3.6
203.03540	4.7
204.03824	1.2
209.00928	1.8
211.02519	2.1
213.01920	1.8
217.01505	1.5
218.01881	1.0
219.03067	2.1
229.01421	9.2
229.19833	1.1
231.03069	4.0
245.00975	4.2
247.02448	3.2
249.04057	5.0
257.00949	7.2
258.01523	2.7
273.00436	2.8
274.01093	1.3
275.02002	30.3
276.02341	2.2
283.99585	2.0
286.37939	1.1
299.99106	2.4
300.99927	100.0
302.00269	6.8
331.06790	1.8
421.04178	4.5
453.06815	2.0
461.22046	1.2
463.05267	3.2
597.80420	1.0
615.05646	1.4
633.07416	39.5
634.07452	7.4
665.10095	14.6
666.10205	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	665.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48653	0.9
59.01375	1.4
69.42542	3.9
69.42944	1.8
78.95914	7.2
96.96970	2.3
107.01405	1.7
124.18016	0.8
125.02466	3.2
132.99136	0.8
145.08759	2.3
150.56506	0.8
151.00403	1.0
157.16344	0.9
163.00409	1.6
169.01465	2.3
185.06032	1.6
199.04015	1.1
227.03513	24.4
228.03947	1.4
229.05063	5.8
233.09496	3.8
233.58939	0.8
239.03415	1.3
255.02994	41.7
256.03589	5.0
257.04584	3.0
270.97858	0.8
284.03275	47.1
285.04041	56.5
286.04361	4.9
346.82666	0.9
431.09860	100.0
432.10364	9.0
521.45306	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	665.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08639	0.5
56.08871	0.5
69.37547	0.7
69.87466	2.9
71.01407	1.2
82.36247	0.5
85.02910	0.5
101.02431	0.7
108.02210	0.9
109.02999	0.9
113.38232	0.6
117.03477	28.4
118.03812	1.6
119.05029	14.9
120.05413	1.0
121.02944	1.6
125.02455	2.5
136.01674	17.5
137.02452	1.9
140.51871	0.6
145.02962	100.0
146.03262	4.5
147.04579	0.7
151.02863	1.1
151.04031	15.0
152.04422	0.5
159.04532	0.6
161.06087	1.0
163.04021	11.9
169.01418	1.9
175.03978	1.0
176.04810	0.6
187.03976	1.7
189.05519	0.7
191.07100	1.0
247.05991	0.8
275.01984	0.5
279.06378	0.7
300.99829	1.8
307.08258	47.0
308.08612	4.9
312.09943	1.3
313.10776	1.8
327.12476	3.0
343.11884	13.5
344.12222	1.4
357.13596	3.9
635.20764	0.8
636.22058	0.7
665.22345	22.3
666.22626	5.8
677.76965	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	665.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62638	4.5
59.01374	4.1
61.98835	6.8
69.32194	35.5
91.65120	4.1
95.15255	4.5
96.96018	9.3
98.22492	7.9
98.95573	6.0
99.92579	17.8
115.92072	7.0
116.92880	11.0
122.06146	26.0
125.02419	24.0
138.46298	5.1
152.07222	21.9
169.01430	37.2
177.19702	4.5
223.08781	7.1
237.10168	5.0
251.11864	5.5
263.08304	7.5
267.11111	8.1
277.09732	6.3
278.10529	11.6
279.11380	11.5
297.20358	4.6
301.09589	7.8
305.09180	34.6
337.10980	4.8
345.08511	15.8
360.06744	6.5
452.16049	13.5
466.17435	17.2
467.18066	7.5
470.17123	11.5
510.16287	23.1
511.17123	29.3
542.18811	49.4
543.19427	30.4
633.23315	100.0
634.23486	16.8
665.25879	75.9
666.26007	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	666.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24447	0.2
52.37577	0.3
55.00668	0.3
61.98821	0.4
91.05545	0.8
93.03450	0.5
96.95992	0.3
98.22535	0.7
106.04263	0.4
107.05048	2.1
109.02980	0.5
117.03445	0.4
119.01361	0.5
119.04979	0.4
121.02944	0.8
125.02480	1.8
130.17613	0.3
133.03004	1.0
134.03758	1.1
134.06129	0.5
135.04541	37.2
136.03975	0.7
136.04878	1.2
136.07706	2.3
147.04500	0.8
148.05318	5.0
149.02452	2.1
160.04016	0.5
161.02469	3.6
164.04785	1.3
169.01413	1.5
175.00359	1.1
178.03668	0.5
178.05128	6.8
179.05551	0.4
179.07159	0.3
190.02733	3.3
190.05136	1.8
205.05069	5.3
223.06149	1.4
256.09833	0.8
282.08963	0.4
297.11465	0.8
298.10864	100.0
299.11182	9.0
351.40952	0.3
367.10345	9.1
368.10779	1.0
442.15057	0.6
460.16922	1.7
486.15646	0.7
504.17453	0.4
582.21338	0.6
666.20099	0.9
666.30109	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	667.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
69.72929	21.5
70.97395	4.2
71.01390	6.9
75.22705	3.5
85.02953	18.3
88.24330	4.0
95.01365	5.6
97.02975	4.4
97.13307	3.8
99.00883	11.0
107.01380	15.2
107.05040	3.8
109.02947	15.6
111.00890	6.1
113.02472	8.6
117.03462	4.5
119.05028	7.5
121.02948	7.0
123.00872	10.2
124.01716	8.6
125.02458	100.0
126.02831	5.5
131.05035	6.8
133.06557	7.2
135.04544	10.7
137.02475	40.7
137.06107	4.7
145.02934	5.4
147.04507	13.0
149.02423	6.1
149.06091	24.5
157.64900	4.0
159.04561	10.2
161.02350	6.9
161.68181	4.5
162.03229	12.2
163.00325	4.7
165.01909	12.0
165.05542	4.9
167.03506	7.7
168.00563	4.8
169.01445	96.3
173.02448	9.0
175.04015	49.4
176.04709	5.9
177.01976	8.0
177.05585	76.2
179.03574	7.0
181.01363	4.5
189.01901	5.7
191.00041	7.5
191.01979	9.7
191.03529	51.9
193.01413	18.2
193.05084	18.7
201.01752	5.6
203.03510	70.4
204.03839	5.0
205.01427	6.5
209.00919	9.2
211.02486	15.5
217.01471	6.6
219.03017	27.8
220.03725	14.9
221.04568	49.3
229.01431	17.5
231.02826	6.1
235.02426	6.1
237.04105	41.8
245.00996	11.0
247.02483	56.4
248.02650	4.4
255.10266	6.0
263.05658	4.2
265.03546	64.2
265.06125	7.5
273.00388	19.8
275.02014	13.5
276.02145	6.2
277.02560	7.1
281.03052	8.4
291.01471	21.1
300.99893	25.4
302.00339	8.0
303.00409	14.8
307.04568	32.9
367.06628	17.5
391.06638	11.1
393.04846	7.5
399.62823	4.4
409.07993	13.4
435.05975	5.7
561.08813	6.5
577.08313	6.6
577.42584	5.2
579.09967	71.1
580.10431	9.7
595.10162	19.6
605.07959	71.3
606.08118	11.9
623.08966	55.7
624.09271	10.8
635.07544	17.7
649.07397	23.3
650.07684	8.8
667.08026	74.0
668.08649	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	667.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.8
59.01374	5.5
69.45567	8.9
69.45976	2.7
71.01384	5.0
72.99314	3.7
82.22585	1.5
85.02957	56.9
87.00870	7.8
94.00813	1.3
97.14783	1.5
103.00378	2.1
119.05038	25.9
120.05429	1.8
129.01942	2.9
133.01433	3.1
135.04570	2.7
147.03012	3.4
149.00929	74.6
152.69304	1.4
153.79341	1.6
163.04010	32.8
164.04419	1.5
191.01971	15.6
209.03044	100.0
295.04306	9.0
371.06232	6.0
399.33948	1.8
561.16412	2.5
571.70648	1.7
613.88153	1.6
678.87616	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	667.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.7
60.99311	20.7
62.48978	1.9
69.03460	1.8
88.98814	73.9
96.84792	1.8
97.02947	2.5
109.02947	12.6
113.66024	1.8
121.02987	2.5
123.04536	10.4
125.02460	100.0
126.02741	2.9
133.02997	3.4
137.02461	17.0
139.03975	2.0
149.02466	6.0
151.04007	13.2
161.02470	23.3
162.03026	2.5
163.03940	2.6
164.01144	3.4
165.01888	3.8
167.03497	4.6
169.01414	17.0
175.04012	9.8
177.01920	7.8
179.03467	4.1
187.03944	6.5
188.04871	2.6
199.03984	2.3
201.05655	2.3
203.07169	6.4
205.05066	5.2
221.08177	2.3
231.03014	2.7
243.02977	3.6
245.04413	5.1
245.08209	8.6
255.02928	6.3
256.03671	5.4
257.04572	2.5
269.04568	2.6
273.00378	3.0
273.03998	6.4
283.02441	2.2
287.05807	10.0
289.07193	57.6
290.07516	6.9
297.07730	2.3
299.05646	7.7
300.99893	5.1
303.05060	4.2
339.08789	4.8
407.07755	61.9
408.07831	7.5
425.08862	55.9
425.14810	2.5
426.09048	7.8
451.10217	17.4
477.66534	2.0
559.12238	2.6
577.13458	22.7
578.14136	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	667.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14206	1.2
60.99305	1.8
61.06926	1.3
61.98833	2.7
69.03444	2.0
71.28455	2.1
71.88655	1.3
83.01414	3.4
88.98818	12.8
95.01407	2.9
95.05041	1.7
96.96026	4.9
97.02966	5.8
107.01418	2.3
109.02954	13.0
111.00902	4.1
117.03449	6.6
119.05012	4.0
121.06586	3.2
122.03770	2.3
123.00900	5.3
123.04536	11.6
125.02461	38.9
126.02796	2.6
135.04488	2.7
137.02565	1.8
145.02974	25.6
146.03725	2.8
149.02487	3.9
151.04019	8.5
159.04544	3.9
160.05295	1.8
161.02469	3.8
161.06093	4.9
161.09764	5.1
163.04073	4.0
163.07652	2.2
165.01871	1.4
166.99889	2.1
169.01448	69.1
170.01747	2.8
175.04115	2.6
175.07602	1.4
176.00990	1.6
179.03603	1.2
187.04018	5.0
189.05623	2.1
191.03473	2.3
193.01416	2.2
203.03545	1.5
203.07146	4.7
205.05054	8.2
205.08664	10.6
207.10199	3.7
213.05521	1.5
217.08693	8.7
231.02927	1.8
245.01006	2.5
245.08086	2.3
247.06107	6.1
247.09962	2.1
273.00482	5.4
281.11804	1.6
283.13446	2.4
300.99890	4.4
303.05106	5.4
307.08286	9.3
307.13333	2.3
315.12576	1.4
325.14362	4.0
329.13663	1.5
333.11230	1.5
345.13593	1.5
351.12396	10.4
352.12598	1.8
369.13458	100.0
370.13885	10.0
453.03931	1.8
458.02930	5.4
458.53238	2.0
467.03574	3.7
521.14569	27.5
522.15155	3.2
595.87836	1.6
617.08466	2.2
667.23584	5.0
670.13623	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	668.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16419	1.4
55.00099	1.4
57.03424	3.9
60.99290	1.7
71.01369	5.3
72.33000	1.4
73.50021	1.4
79.33073	1.8
83.01399	1.7
85.02966	2.2
88.98827	6.2
95.01459	2.1
98.50015	1.5
101.02425	1.9
102.91037	1.7
107.01411	8.7
109.02959	3.7
111.00846	3.0
116.30579	1.5
119.15083	1.7
123.00885	10.6
123.04555	2.1
124.01624	2.1
125.02464	88.5
126.02767	4.1
136.34761	1.7
137.02467	4.6
139.00420	4.5
139.03963	2.2
140.01155	2.9
149.02380	2.7
151.00363	7.1
151.04041	6.0
161.02492	3.3
165.01939	3.4
167.03514	7.5
168.00655	5.8
169.01440	100.0
170.01768	4.1
177.01938	7.4
193.01387	3.9
211.02438	7.4
223.02353	2.0
243.02956	2.7
261.03931	2.3
287.05685	1.8
289.07208	5.7
295.04794	2.2
297.06158	2.9
303.05112	3.7
313.05753	20.1
319.04269	2.8
407.08023	2.1
418.69269	1.7
465.06757	59.1
466.07059	6.3
605.11542	45.7
606.11896	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	668.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
64.97011	2.4
71.01373	2.2
72.00922	3.7
78.42943	1.2
78.95899	4.7
79.95750	13.6
80.96526	8.8
83.24197	1.2
89.02435	1.4
95.97627	35.8
96.96987	5.7
98.21719	2.9
111.56385	1.1
118.06638	16.1
119.03456	1.4
123.00856	1.3
125.02420	3.6
137.05954	1.2
147.04539	18.6
164.07188	46.7
165.07552	2.4
169.01451	4.9
170.37463	1.4
193.01405	1.4
203.03494	1.6
211.02354	1.4
226.01852	1.9
229.01494	2.3
238.31096	1.5
244.02872	100.0
245.03082	5.9
246.01755	1.8
249.04266	1.5
257.00781	1.4
273.00494	1.5
273.39728	1.3
275.02072	9.3
300.99973	11.2
302.00394	1.9
323.13455	5.5
350.65100	1.1
633.07648	7.1
636.08252	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	668.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63701	1.9
60.91405	2.0
61.98827	4.0
69.62924	4.0
69.63324	7.9
82.22810	1.6
83.11911	1.7
107.68674	1.9
108.02174	3.0
109.02996	2.8
117.03514	2.1
121.02933	4.2
123.04544	2.9
125.02473	2.1
125.84614	1.7
135.04556	4.5
145.02960	5.4
148.05341	3.0
149.06157	2.6
150.06865	19.7
150.54082	2.1
161.06131	1.9
162.06908	5.0
163.07648	4.7
164.08382	3.0
179.10791	5.8
191.05646	2.0
191.07332	2.4
192.06711	3.1
237.05531	3.2
249.05519	2.4
251.03461	1.8
263.07294	2.5
265.05057	2.3
277.05112	8.1
278.05768	2.9
278.08569	1.9
281.08234	2.3
289.05142	3.5
290.05762	2.7
291.06781	2.3
292.07471	2.5
293.08136	3.0
298.10922	3.9
327.21951	6.2
354.13522	6.9
383.09219	2.9
384.09998	2.7
395.09311	3.7
411.12225	2.8
412.09695	4.2
413.35788	2.1
415.11966	3.3
425.10269	3.2
427.11758	10.0
428.12311	3.5
430.14328	5.1
439.11551	3.1
440.11685	3.4
441.13168	2.1
442.14407	14.3
443.15057	5.3
445.16641	8.2
455.14285	3.7
456.15274	3.9
457.16617	20.1
458.16879	4.7
475.17633	3.5
483.13327	3.9
487.17688	5.6
498.15897	7.2
505.18253	2.0
507.33444	13.7
590.18170	8.5
593.20111	2.3
602.18323	6.7
605.20795	3.2
606.21216	2.6
608.22980	21.5
609.23541	5.7
617.20715	6.3
620.22888	95.7
621.23444	27.6
632.22974	100.0
633.23206	27.9
638.24042	2.5
650.24194	12.6
651.24384	4.5
669.38727	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88851	0.7
55.01902	0.8
59.01383	1.4
70.77009	1.2
70.77323	1.5
73.04626	0.9
83.90624	0.8
85.02945	1.3
88.71895	0.9
99.00905	1.7
105.03452	1.3
105.07162	0.9
107.05055	1.9
111.00885	1.3
119.05038	1.8
121.02999	2.5
121.06619	2.8
123.00951	1.1
123.04533	1.3
125.02450	5.2
127.27748	0.8
131.05049	1.5
133.06619	8.5
135.04544	4.7
137.02460	2.5
143.05066	1.7
145.02982	3.5
149.02454	5.7
149.06099	3.1
151.04001	7.7
151.33328	0.9
159.04526	7.0
160.05275	0.8
161.02469	2.2
161.06110	13.7
162.03253	3.0
162.06396	0.8
163.04033	22.0
164.04350	1.3
165.01959	1.4
167.03508	1.0
169.01474	4.3
175.04037	2.0
177.01985	2.1
177.05595	8.0
187.04030	11.6
190.02731	6.8
191.03488	2.3
193.01428	23.9
201.01808	1.0
203.03572	6.3
205.05081	31.4
205.07028	1.5
206.05421	1.3
211.02470	1.8
219.03015	2.8
221.04520	1.4
229.01419	2.6
231.02997	4.2
233.01057	1.5
235.02588	1.6
237.00458	3.1
247.02425	1.7
249.04066	17.8
250.04372	2.2
257.01196	0.9
271.04663	1.1
273.00311	1.0
275.02005	13.5
293.03076	6.6
300.99884	8.9
304.14200	0.9
331.06784	2.3
337.02042	100.0
338.02390	7.3
343.35184	1.0
345.39920	1.0
358.95303	0.9
437.06635	0.9
498.22137	0.9
583.52539	1.0
607.09259	1.2
633.07397	3.7
651.08417	4.5
652.08319	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	669.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19610	1.4
70.48217	4.3
95.01417	1.6
102.38223	1.4
102.49380	1.2
111.00908	1.4
115.94535	1.4
119.04980	2.1
121.02978	3.4
121.06594	1.8
123.00871	1.7
123.04502	2.1
125.02457	19.3
129.13272	1.3
133.06636	7.4
135.04536	4.0
137.02475	3.4
143.05011	1.5
145.02924	3.3
149.02423	4.3
149.06087	2.4
151.03976	6.9
159.04524	8.8
161.06096	11.1
162.03302	3.4
163.00420	3.2
163.04005	21.8
165.01904	1.7
169.01439	26.9
175.03975	1.9
177.01949	1.6
177.05553	7.2
185.02412	2.0
187.03995	8.3
190.02757	6.1
191.03456	2.2
193.01447	22.9
201.01949	1.7
203.03511	5.6
204.04300	1.9
205.05074	26.8
219.99406	1.4
229.01360	3.6
231.03070	5.0
237.00468	4.3
247.02315	2.1
249.04099	18.8
257.00967	5.7
258.01331	1.8
275.01965	14.7
293.03076	9.3
300.99896	16.6
319.01068	1.7
331.06702	3.0
337.02045	100.0
338.02380	8.6
439.05246	2.1
481.06317	8.7
499.07031	10.5
500.08194	1.7
503.69946	1.6
592.68896	1.7
617.87817	1.6
635.63593	1.6
651.08081	3.9
677.77087	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	669.095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26871	0.6
58.47074	0.6
59.01386	1.4
60.41490	0.6
65.03939	0.8
85.02948	1.6
91.05579	0.7
93.03448	0.8
96.24163	0.6
99.00883	0.8
105.03464	1.3
107.05046	2.0
109.02965	0.6
111.00866	1.4
117.03434	0.8
119.05034	2.8
121.02956	1.7
121.06590	2.6
122.46084	0.6
123.00906	0.8
123.04524	1.9
125.02441	2.2
131.05093	1.3
133.06625	8.4
135.04543	5.3
137.02477	2.0
145.03003	3.8
146.03717	1.4
147.04559	0.8
149.02437	3.9
149.06064	2.8
151.04033	8.2
159.04555	5.3
160.05304	1.7
161.06107	14.5
162.03264	4.6
162.06384	0.8
163.04021	22.6
164.04375	1.3
165.01936	2.1
169.01393	2.9
175.04031	2.0
177.01953	1.9
177.05598	7.2
187.02489	0.9
187.04025	9.8
190.02733	5.2
191.03526	0.9
193.01422	21.6
194.01619	0.9
203.03534	3.3
205.05069	28.7
206.05472	0.8
221.04500	1.0
228.78401	0.8
231.02974	1.8
233.00905	2.0
235.02368	0.8
237.00381	2.1
247.02565	1.0
249.04056	20.5
250.04474	1.1
253.41083	0.7
261.00330	0.9
275.01999	1.9
293.03134	4.6
295.12793	0.7
313.18680	0.7
331.06586	1.8
337.02029	100.0
338.02356	8.7
651.09033	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	669.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49939	0.5
55.01880	0.7
58.81599	0.5
59.01382	0.8
60.68153	0.4
61.66864	0.4
65.03952	0.5
71.01383	0.6
71.26450	0.5
75.92966	0.5
81.03453	0.5
85.02969	1.5
87.72895	0.6
91.05529	0.9
93.03462	1.0
93.90527	0.5
99.00907	1.6
105.03469	1.7
105.07070	0.6
107.01340	0.5
107.05032	1.8
108.02225	0.5
109.02971	0.7
111.00886	0.9
117.03503	1.1
117.07162	0.6
118.04271	0.5
119.05042	3.2
121.02936	2.3
121.06612	3.5
123.04531	1.4
125.02456	2.7
131.05005	1.2
133.06604	9.2
135.04530	6.1
136.85342	0.5
137.02406	2.4
141.89497	0.6
143.05019	0.8
145.02980	4.2
146.03729	2.0
147.03032	0.6
147.04478	0.9
149.02469	3.8
149.06062	3.7
151.04022	8.2
159.04529	6.8
160.05290	1.4
161.02487	0.8
161.06094	15.5
162.03256	4.4
162.06451	1.0
163.04025	22.6
164.01122	0.7
164.04364	1.0
165.01921	1.7
169.01407	2.9
175.04028	1.8
177.01973	1.1
177.05563	7.1
187.04022	11.4
188.04489	0.7
189.01918	0.7
190.02754	4.8
191.03508	1.1
193.01433	23.2
194.01796	1.7
203.03554	2.8
205.05070	30.3
206.05394	1.6
209.03210	0.7
211.02602	1.0
219.02931	1.0
221.04546	1.5
231.03026	1.7
233.00986	2.2
237.00470	2.5
249.01480	1.0
249.04073	19.8
275.01981	2.8
291.95178	0.5
293.03146	4.0
300.99988	1.3
313.05624	0.5
331.06750	1.1
337.02039	100.0
338.02405	7.2
437.67651	0.5
651.07513	0.7
667.47375	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	669.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.32407	0.5
64.29736	0.6
69.75723	2.8
73.14295	0.6
77.03961	0.8
85.83403	0.5
91.05569	0.8
93.03466	0.8
99.00882	1.2
103.55923	0.7
105.03491	0.7
105.07124	1.1
107.05035	1.9
109.02961	0.8
111.00883	1.0
117.03458	1.2
119.05013	1.6
121.02960	2.3
121.06609	2.7
123.04556	0.9
125.02460	2.4
125.72949	0.6
131.05029	0.8
133.06624	7.1
135.04523	4.8
137.02461	1.7
143.05020	1.1
145.02936	4.2
146.03773	1.0
147.04469	1.1
149.02458	4.4
149.06123	3.2
151.04025	7.9
159.04523	6.9
160.05284	1.2
161.02470	1.5
161.06097	14.7
162.03255	3.4
163.04028	21.8
164.04388	1.6
165.01933	2.4
167.03450	0.7
169.01347	1.4
175.04036	1.8
177.02066	0.9
177.05598	6.0
187.04033	10.0
190.02678	4.3
191.03491	1.3
193.01436	22.3
194.01805	1.2
203.03548	2.7
205.05072	29.5
206.05440	1.4
219.03004	0.9
221.04578	1.3
231.03120	1.1
233.00912	1.6
237.00432	1.3
249.04086	19.4
250.04489	1.3
251.48387	0.6
275.02179	0.7
291.01331	0.6
293.03043	3.8
337.02042	100.0
338.02377	7.2
365.79150	0.7
502.13791	0.6
550.22839	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	669.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52919	0.6
69.92770	2.4
72.57221	0.6
90.17030	0.6
91.05549	1.0
92.11437	0.7
93.03468	1.2
99.00927	1.1
105.03487	1.5
105.07110	1.0
107.05016	1.7
117.03464	1.4
119.05043	1.9
121.02998	1.7
121.06594	2.5
122.36600	0.6
123.04549	0.8
125.02492	3.5
131.05069	1.1
133.06624	9.2
135.04556	4.1
137.02425	1.5
143.05038	1.2
145.03011	3.1
149.02437	3.5
149.06105	1.9
151.04044	8.2
151.07562	0.7
159.04533	5.2
160.05255	2.0
161.02448	1.5
161.06097	12.0
162.03247	3.8
163.04036	22.5
164.04337	0.8
165.01933	1.9
169.01462	1.7
175.04057	1.9
177.05603	5.4
187.04018	9.2
188.04344	0.9
188.22859	0.6
190.02748	4.7
191.03448	1.2
193.01437	21.0
203.03503	1.6
205.05080	28.3
206.05452	1.9
219.02917	0.9
220.31111	0.6
221.04495	0.8
231.03055	1.5
233.00961	1.6
237.00424	2.3
247.02585	0.8
249.04044	18.3
250.04424	1.1
275.01962	0.7
293.03076	3.6
331.07007	0.8
337.02051	100.0
338.02441	8.7
356.79575	0.6
389.10437	0.7
600.46118	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	669.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01794	0.7
59.88339	0.6
63.02394	1.9
65.00318	4.5
69.21764	2.0
69.22183	3.4
70.16376	0.7
77.82096	0.6
79.55711	0.6
83.01389	2.8
88.61948	0.7
93.03485	1.6
102.04355	0.7
107.01384	6.9
107.65904	0.7
108.25218	0.7
108.85050	0.7
109.02994	5.1
110.07466	0.6
121.02971	5.6
125.02445	1.9
133.02908	0.9
135.00912	0.7
137.02390	0.8
149.02444	1.4
150.06903	0.9
151.00383	21.6
159.04532	0.9
163.00362	6.0
169.01450	3.5
170.01811	0.7
178.99876	9.1
183.04538	1.0
187.04018	1.3
199.03925	0.8
201.05586	1.5
209.11946	0.9
211.03992	3.1
227.03467	2.5
229.05017	1.6
245.04518	3.9
255.03011	7.8
257.04706	0.8
271.02435	4.1
273.04120	2.3
283.02441	4.0
285.03796	0.7
300.02695	4.2
301.03549	100.0
302.03870	9.8
326.67755	0.8
340.67035	0.7
394.25302	0.8
434.17889	0.8
463.08954	1.0
669.10406	3.3
669.38470	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	669.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54096	0.8
63.02393	0.8
65.00329	2.2
72.08154	0.8
98.22632	1.4
107.01385	3.3
108.02180	1.9
109.02970	1.7
121.02969	1.9
125.02501	1.1
148.01665	2.5
149.02466	1.2
151.00374	11.9
163.00392	3.2
164.01195	1.9
171.04518	1.1
178.99876	4.7
191.03554	2.2
199.04012	1.8
211.03769	1.1
215.03476	1.5
226.02782	2.4
227.03398	4.0
243.02975	14.4
244.03461	1.4
245.04462	1.1
254.02190	2.4
255.02995	32.9
255.05716	1.8
256.03473	2.4
271.02499	69.6
272.02917	6.7
273.03903	1.1
278.08725	0.9
283.02560	1.4
287.01968	1.5
299.02014	2.6
300.02765	100.0
301.03488	38.6
302.03894	2.4
314.04373	1.8
315.01532	3.3
315.05130	6.9
316.02249	2.1
330.03912	0.9
331.04712	1.4
343.04529	1.2
348.13730	0.9
353.08795	2.3
445.07529	1.2
463.08875	52.6
464.09012	6.9
477.10287	5.0
493.10275	1.2
652.99701	0.9
669.14624	51.4
670.15015	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	669.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	1.0
63.97588	0.6
65.00307	2.0
71.06446	0.8
74.59260	0.8
83.01373	1.3
86.07583	0.7
106.54254	0.7
107.01385	3.8
108.02158	3.0
109.02962	2.6
111.00893	0.8
121.02951	3.1
125.02467	0.9
134.03754	1.0
135.00902	1.2
135.04472	1.1
137.60654	0.7
139.04074	1.1
148.01657	1.7
149.02463	1.5
151.00388	13.5
153.01906	0.7
161.02377	0.8
162.03065	0.8
163.00342	3.7
164.01117	1.5
169.01469	1.1
175.00346	1.2
176.01152	1.5
178.99864	7.3
190.02730	1.3
191.03468	2.7
199.04036	1.0
203.03551	1.4
211.04007	1.7
215.03500	2.1
226.02705	2.7
227.03517	4.5
228.01350	0.8
228.69299	0.9
229.05138	0.9
243.02977	14.8
245.04564	1.2
254.02306	2.2
255.03011	29.9
255.05717	1.6
256.03397	3.1
271.02499	70.8
272.02994	7.3
273.04019	1.0
283.02573	1.4
287.01956	2.6
296.09283	1.2
299.02029	3.0
300.02774	100.0
301.03491	47.2
302.03824	3.4
314.04391	1.0
315.01352	3.0
315.05142	4.8
316.02170	8.3
317.02780	0.9
330.03806	0.9
331.04495	6.1
353.08981	1.3
409.06244	0.8
463.08887	46.7
464.09167	5.8
477.10403	4.9
488.17438	1.5
489.17551	4.2
493.09998	3.2
669.14691	50.4
670.14795	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	669.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01426	1.6
59.01385	5.3
61.98826	2.2
62.65692	1.5
69.03467	2.0
71.01388	2.9
78.95911	1.7
79.04346	1.5
80.60849	1.6
83.05043	6.7
85.23166	1.7
89.02502	1.6
101.02465	3.2
109.17364	1.7
125.02473	2.5
163.11307	2.7
171.10263	3.1
179.14471	2.8
184.39594	1.6
195.13881	6.6
205.12422	6.6
209.11850	100.0
210.12198	6.1
223.13408	66.0
224.13748	3.6
227.12920	15.1
235.08270	3.2
245.30299	1.6
253.09302	8.6
445.20340	1.8
459.22394	3.3
689.03021	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	669.3866
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
52.70287	0.8
56.93425	0.9
57.03454	1.5
59.01373	1.3
61.98820	1.8
65.09372	0.9
67.09633	1.0
71.26693	1.4
71.27096	1.4
83.05029	1.4
85.02937	1.4
88.98808	1.0
89.92860	0.9
92.85540	1.0
99.04542	1.2
111.04559	0.9
113.32985	0.8
118.58862	1.1
125.02464	2.3
133.02184	0.9
133.30472	0.9
136.05319	1.3
149.06097	5.8
149.52171	0.9
150.06882	49.7
151.07277	0.9
152.97043	0.9
155.21759	0.9
163.07671	11.2
164.08501	7.4
169.01468	4.0
176.08470	2.6
178.10051	4.3
179.10808	12.4
209.11839	1.1
213.11340	1.1
216.30136	1.0
228.28424	0.9
263.20111	1.2
325.23822	1.6
327.21841	3.6
428.29111	1.7
443.31686	1.4
446.30380	8.7
447.31232	1.0
460.32169	2.7
461.32825	11.4
462.33139	1.5
488.31415	1.2
489.32266	2.8
506.32578	2.1
507.33331	27.9
507.40460	1.8
508.33752	4.0
549.35028	1.1
669.38647	100.0
670.39044	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97361	1.6
61.98810	2.7
62.35872	1.5
65.08685	1.5
70.36359	1.7
74.94153	1.6
98.21780	7.0
145.02945	2.6
149.06122	3.8
150.06876	54.7
163.07645	10.1
164.08440	14.2
171.10263	3.2
178.09970	2.8
179.10797	30.0
277.79901	1.8
278.05859	2.4
293.84598	1.9
327.21817	16.1
327.58521	1.7
364.22476	2.1
422.46143	1.9
427.75665	1.6
446.30383	1.8
461.33295	2.8
462.34018	1.7
463.34488	4.4
489.32217	5.4
506.31973	3.5
507.25806	2.4
507.33392	36.7
508.33572	7.1
609.23120	2.8
621.23425	10.5
622.23285	1.9
633.23425	9.4
669.38605	100.0
670.38672	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
60.37874	0.6
70.56389	1.4
70.56758	0.9
71.01392	1.5
79.01881	0.6
81.38418	0.7
85.02943	1.0
95.01376	1.3
101.02428	1.1
107.01413	3.6
111.00878	1.9
113.02440	0.9
116.95179	0.7
123.00912	11.6
123.04504	0.8
124.01682	10.0
125.02461	31.5
126.02817	1.5
127.00417	1.3
128.10835	1.5
130.08755	16.1
136.98790	0.9
137.02464	1.3
138.03293	0.9
139.00362	2.4
139.04021	5.8
140.01170	2.7
151.00383	5.3
151.04016	0.9
151.95201	0.7
161.02396	0.8
167.03487	1.7
168.00652	5.8
169.01443	40.5
170.01787	1.5
172.09814	12.7
173.10147	0.8
177.02026	1.0
181.05058	0.8
183.03003	2.3
193.01506	0.8
194.56010	0.7
211.02498	1.5
241.03807	1.0
246.07915	0.7
266.64059	0.7
267.21439	0.8
289.06888	0.8
297.06088	1.6
313.05630	8.0
314.06015	1.0
327.07263	1.6
453.10422	100.0
454.10779	11.8
454.47226	1.0
465.07175	1.0
515.77069	0.8
635.08936	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	670.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78125	0.4
68.96258	5.7
71.01380	0.7
88.98812	1.1
93.03453	1.6
98.22621	0.8
101.73551	0.5
107.01415	1.1
108.02176	1.0
109.02991	0.9
111.03358	0.5
119.05048	1.0
121.02950	2.2
122.03809	2.8
123.04545	1.2
124.01714	0.9
125.01553	0.7
125.02459	10.7
126.02777	0.6
129.06245	0.5
133.02968	1.6
133.05362	1.3
134.03766	3.7
135.04544	12.8
137.02466	1.2
139.04013	0.6
140.61722	0.5
141.38225	0.5
145.02963	0.6
147.04530	1.6
148.05327	34.0
149.02466	7.1
149.06140	4.3
150.03244	20.6
151.03928	1.8
159.04507	0.6
161.02502	1.0
163.04070	0.4
164.04814	1.2
165.01878	0.7
165.05585	18.7
166.05978	0.8
167.03513	0.5
169.01448	7.7
169.27507	0.5
170.01758	0.6
171.04526	0.6
175.04016	0.9
176.03503	4.1
177.04292	1.1
178.05115	22.6
179.05408	1.3
180.04303	1.4
181.05023	1.0
189.04129	0.6
190.05112	8.3
191.05598	0.5
192.06726	0.5
195.06627	8.5
253.08655	1.0
255.02852	0.8
270.47440	0.5
271.06186	1.0
289.07266	0.7
297.10089	11.3
298.10696	1.6
310.10947	1.6
311.11594	2.4
312.12448	100.0
313.12762	10.8
366.13614	0.9
389.06812	0.6
392.69675	0.7
402.13437	0.7
413.12692	1.1
416.14908	0.8
417.15668	0.7
428.14926	1.2
454.45728	0.5
460.17752	23.8
461.18231	3.0
481.15091	0.8
483.12753	0.6
490.18658	1.0
508.19809	34.6
509.20163	6.8
613.14563	0.5
643.19482	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	671.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43375	1.7
69.67628	8.1
71.01347	2.5
76.54050	1.9
85.02950	3.1
95.01443	2.8
107.01423	9.7
109.18742	2.1
113.02452	3.6
116.90771	1.7
117.86416	1.9
123.00911	7.1
125.02462	66.9
126.02847	2.0
151.00360	5.1
164.24022	2.0
168.00710	5.1
169.01451	100.0
170.01865	3.4
175.39230	1.9
193.01385	2.5
211.02567	4.6
227.56059	2.3
271.04517	2.9
313.05756	14.4
380.95300	2.0
409.55643	2.0
456.18741	2.3
465.06821	19.2
465.56943	2.2
483.07907	15.6
488.31262	2.1
635.08984	80.0
636.09558	10.9
641.60229	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	671.1989
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01364	1.5
61.98837	1.0
69.03468	1.1
71.01377	3.6
79.01872	1.0
83.23911	0.8
85.02950	2.1
87.00875	0.7
87.40867	0.7
95.01402	1.9
97.02960	1.6
101.02470	1.4
107.01389	9.8
108.02238	0.9
109.02965	1.4
111.00897	2.2
113.02454	1.3
123.00887	13.3
125.02459	54.3
126.02798	2.4
127.00452	0.8
130.08745	0.9
135.04553	1.2
136.01677	12.0
136.98799	1.3
137.02444	1.5
139.00385	4.9
139.04059	1.5
140.01181	2.6
141.01897	1.2
151.00372	8.6
151.04013	8.0
159.04506	0.9
168.00665	5.5
169.01436	64.9
170.01819	2.8
175.04012	0.8
183.03000	5.1
191.07150	1.0
209.11871	0.9
211.02481	2.4
241.03722	1.1
242.99368	1.8
243.36960	0.7
269.98145	2.7
270.98843	6.9
297.97729	3.0
298.98370	9.7
299.99060	1.9
300.99924	1.2
313.05704	16.5
313.09479	1.2
313.10907	1.2
327.07324	2.4
327.12457	1.7
327.78632	0.8
343.11661	1.2
461.03555	7.9
462.04352	3.3
509.06982	1.2
671.19934	100.0
672.20233	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34642	0.7
57.18977	0.8
60.99314	20.4
62.28093	0.7
71.27039	0.9
88.98816	100.0
89.02453	5.1
90.39108	0.8
95.01337	1.2
106.35558	0.8
107.01424	1.2
123.00900	0.7
125.02455	8.9
137.82822	0.8
139.00356	0.7
151.04047	0.8
161.38171	0.7
168.00670	1.3
169.01434	7.4
191.10855	0.8
225.07835	0.8
249.81717	0.7
313.05939	0.9
483.12024	1.1
516.27399	0.8
581.22394	1.0
635.12390	7.5
635.42126	0.8
636.12817	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	671.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01370	11.5
61.98816	2.3
67.94337	2.0
69.03451	1.7
71.01388	9.1
73.02956	2.5
81.03442	2.6
83.05020	6.8
84.02150	2.0
85.02948	3.2
87.00887	2.0
89.02444	3.4
93.03452	2.0
93.41701	1.7
94.06626	6.7
97.02938	5.7
97.06590	2.3
98.22564	3.2
99.00887	5.7
100.62154	1.7
101.02430	5.6
106.06687	1.9
107.03795	11.4
109.06609	14.0
110.03693	2.2
111.00954	2.2
120.04572	2.5
122.06133	57.5
123.06418	3.1
124.07677	1.8
125.09706	7.0
134.06110	7.4
135.08157	3.0
139.02739	4.4
152.07182	93.3
163.11301	15.7
171.10246	7.4
179.44127	1.6
181.12331	11.3
185.11871	3.0
197.11909	2.8
199.13344	2.5
207.10268	53.0
208.10680	2.3
209.11855	100.0
210.12190	6.9
211.13371	7.9
225.11377	60.6
226.11684	3.7
227.12947	19.1
235.08368	5.9
237.10397	3.3
243.12328	4.6
249.10442	3.1
250.07472	7.7
251.08221	4.0
253.09354	10.7
263.08234	5.2
265.09848	21.2
265.14377	1.9
276.08932	3.0
277.09851	8.2
278.06992	14.1
279.11322	2.1
289.65683	1.9
291.07697	5.0
292.08435	3.1
293.09341	75.9
294.09683	7.0
305.06262	2.0
305.09384	26.0
306.09900	4.5
337.08310	3.6
370.15576	4.1
373.23914	2.8
382.12067	3.1
383.12524	2.5
398.15143	8.6
399.03061	2.4
399.15543	2.5
399.21350	4.6
409.25137	2.1
410.15222	4.9
417.17236	2.2
417.22690	7.4
430.17853	10.0
443.19385	3.8
458.17145	35.5
459.17487	3.0
461.20389	15.9
472.18896	3.4
474.16437	3.4
484.15067	3.8
490.19684	11.2
502.16217	84.5
503.16516	12.4
504.21628	5.3
505.22153	3.2
517.18536	35.7
518.18628	5.5
534.18866	25.5
535.18024	3.2
548.20209	3.1
549.21027	7.8
550.21790	3.3
563.23010	29.2
564.23016	5.3
595.25623	11.1
596.25726	3.4
604.47296	2.0
607.21765	11.6
627.28424	4.0
635.30688	6.8
639.24622	88.6
640.25031	18.4
653.31787	17.0
654.32013	3.9
671.32458	22.6
672.32776	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	671.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20455	0.7
59.01385	3.6
61.98821	0.9
62.84726	0.6
69.00697	4.4
69.01112	2.0
71.01356	1.2
79.95797	0.7
83.05027	1.1
85.02994	0.9
87.00880	0.8
89.62360	0.6
95.08660	0.6
98.22563	1.1
101.02476	1.0
109.06586	1.6
113.02467	0.8
122.06133	1.4
123.16399	0.7
140.64056	0.7
152.07164	2.9
158.02467	0.9
161.04616	0.7
163.11270	1.9
171.10376	0.9
181.12408	1.0
190.05135	1.9
197.11806	1.3
198.09250	3.0
199.13361	1.5
207.10295	5.9
209.11847	10.5
210.12166	1.3
211.13446	2.7
223.13428	0.7
225.11343	9.4
225.53946	0.6
226.07509	1.2
226.11670	0.9
227.12903	4.0
228.09116	3.2
239.11908	11.9
240.12177	1.1
241.09846	71.7
242.10172	5.5
243.11465	1.3
253.09337	2.0
255.11507	0.8
256.12195	42.7
257.12576	2.9
284.86548	0.8
299.11221	0.7
300.11179	9.9
301.11624	1.4
315.13528	100.0
316.13773	7.2
330.16031	1.2
355.13046	7.8
356.13593	0.9
417.22583	0.8
461.20358	2.1
462.21094	0.7
563.22906	1.8
595.25494	3.5
596.26514	1.1
609.33173	1.2
653.32159	3.8
671.32910	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	671.293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29856	1.0
55.54693	1.0
58.00591	1.3
59.01379	13.0
60.77457	1.0
61.98833	11.0
70.89362	1.2
71.01390	12.2
73.02959	2.1
82.95453	1.1
85.02942	2.8
87.00916	1.6
87.32003	1.0
89.02448	16.7
101.02436	11.9
107.01397	1.3
113.02480	6.8
117.47295	1.0
118.49143	0.9
119.03506	5.1
121.06589	2.4
125.02424	3.1
131.03503	2.0
143.03508	1.4
152.07130	1.4
161.04626	4.6
169.01398	4.1
179.05644	13.9
189.12828	5.1
191.03455	1.8
194.44696	1.1
209.11848	2.2
221.06644	5.6
225.11250	1.0
233.11951	2.2
253.09187	1.1
273.00427	1.7
290.85800	1.0
300.99988	1.1
301.03226	1.6
303.19766	6.0
329.17596	12.5
330.17950	2.0
347.18649	100.0
348.18997	11.5
389.19702	2.7
671.29230	77.5
672.29541	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	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27501	0.8
59.01384	9.2
61.98830	1.1
65.04012	1.0
71.01391	8.4
72.67066	0.9
73.02940	1.5
80.02663	1.8
81.03461	3.2
83.01406	1.2
83.05042	7.4
84.02164	1.9
85.02970	1.5
87.00860	2.4
89.02440	4.9
93.03474	1.5
95.01353	1.1
95.05026	2.4
97.02971	6.4
97.06590	1.2
98.21793	1.9
98.22482	3.2
99.00886	1.6
101.02451	4.6
106.04290	0.9
107.03788	2.0
109.06593	20.1
109.07294	1.7
109.48785	0.8
110.03790	1.2
111.04543	1.4
113.02458	3.3
115.26979	0.9
119.03535	1.4
121.06586	1.3
122.06142	7.9
125.02465	1.4
125.06097	1.3
125.09731	3.0
134.06102	0.9
135.08168	4.6
136.05356	0.9
142.02679	1.8
143.03494	1.1
145.05002	1.1
145.10173	1.0
152.07211	13.6
159.88736	1.0
161.04607	1.3
161.09685	1.5
163.11287	15.2
165.12831	2.6
171.10315	4.9
181.12329	6.5
185.11835	3.5
189.09221	1.7
191.10840	1.2
197.11836	2.0
199.13458	1.1
201.11397	1.5
207.10274	63.3
208.10623	3.5
209.11852	100.0
210.12175	6.4
211.13391	3.0
217.12260	1.2
221.11914	1.8
223.13393	1.5
225.11337	37.5
226.11705	2.2
227.12895	15.7
231.10318	1.2
235.08243	3.2
243.12398	2.7
245.11884	1.3
249.10995	1.0
250.07565	1.4
253.09306	11.4
263.12802	3.1
265.09741	3.6
277.09897	1.4
278.06973	2.1
293.09335	9.9
299.14972	1.4
305.09253	3.7
357.80365	1.0
373.24060	2.4
389.23245	1.1
399.21780	5.5
405.17435	1.0
417.22791	6.8
430.17688	2.1
435.23520	1.8
443.19165	3.7
458.17163	3.3
459.17941	1.4
461.20291	12.7
462.20398	1.2
502.16321	10.9
503.16241	3.1
504.21982	1.1
517.18719	4.8
534.18738	3.0
549.20282	1.3
563.22900	3.7
564.23444	1.3
595.25641	1.7
627.30035	1.6
635.30640	9.8
636.31079	3.2
639.24500	9.3
640.24451	2.1
653.31769	15.4
654.32062	3.4
671.33118	28.5
672.32507	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	671.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55808	1.1
65.03959	10.8
67.01889	4.4
69.03449	3.2
69.04736	13.3
69.68170	1.3
71.01374	2.9
78.95926	2.4
79.05524	1.3
81.03463	5.4
83.01395	1.9
83.05026	5.7
90.25799	1.5
91.05564	1.3
93.03467	5.9
95.05023	2.1
107.05039	20.5
109.02973	2.6
119.05013	2.5
125.02454	15.0
133.02980	10.0
133.06601	7.8
134.03738	4.2
135.04538	28.2
137.02417	3.7
140.51686	1.3
151.04021	100.0
152.04369	3.1
161.02449	21.7
162.02850	1.5
169.01363	1.5
177.05579	52.4
178.05891	1.6
179.03526	9.5
205.05038	8.2
209.11749	2.5
223.06081	1.4
256.33069	1.5
311.25955	1.6
339.25250	2.4
372.62164	1.3
431.24268	2.3
440.73087	1.3
447.27573	8.1
465.06882	1.7
473.11551	1.3
473.28983	6.7
475.27130	3.5
501.28534	7.2
502.28561	1.6
509.31091	7.2
519.29395	3.8
527.30304	3.4
552.33966	1.3
591.33075	1.7
627.35498	2.1
635.32465	8.1
636.32104	1.6
653.33411	10.7
670.86536	1.3
671.34406	34.9
672.34479	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	671.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.6
61.34059	0.9
61.98832	4.8
71.01388	1.6
71.27574	1.6
85.02978	1.0
87.00846	1.1
89.02466	1.0
113.02435	1.0
113.77502	0.7
116.92873	5.0
123.08208	1.6
125.02450	3.6
136.05316	33.4
137.05785	1.2
147.08127	1.1
147.37888	0.8
149.06105	4.2
150.06877	2.7
163.11366	1.4
164.08469	2.3
165.09221	23.2
169.01431	3.5
196.08482	0.9
199.19281	0.9
207.10240	4.2
209.11801	7.0
216.87428	1.0
220.54636	1.0
223.93155	1.0
225.11362	5.4
226.14500	0.9
227.12825	1.6
229.10934	1.9
260.17007	0.9
321.20792	3.2
343.21362	4.7
344.21585	0.9
350.21072	3.7
404.44223	0.9
405.90842	1.0
427.28580	3.0
445.29568	2.6
463.30573	7.9
491.30139	4.0
508.30551	3.2
509.31207	27.9
510.31680	3.7
570.51617	1.0
640.88037	1.1
653.31934	1.4
671.36523	100.0
672.37000	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	671.4019
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03447	0.6
59.01385	1.1
61.98834	0.9
71.01389	0.9
85.02960	1.2
85.05272	0.5
87.00871	0.7
96.13976	0.5
99.04534	0.6
125.02458	1.8
135.08131	1.0
137.02417	0.6
149.06104	6.3
150.06874	45.4
151.00380	1.3
151.07286	2.3
152.99696	0.6
161.09673	1.4
162.06897	0.7
163.07658	10.6
164.08432	6.8
165.40729	0.5
169.01421	3.0
171.10187	0.6
176.08438	2.2
177.09216	1.2
178.09991	5.1
178.99800	0.9
179.10789	14.6
180.11089	0.5
185.48859	0.5
207.10344	1.0
209.11839	1.7
215.52176	0.5
225.11388	1.3
227.12927	1.0
255.03139	0.6
265.21643	0.8
271.02374	1.4
283.22711	0.5
291.57144	0.6
300.02893	1.6
301.03479	6.0
314.15237	0.5
327.25568	0.7
329.23315	7.0
430.31033	1.3
445.33441	1.7
447.34647	0.7
448.31906	11.3
449.32407	1.3
462.33429	1.9
463.34354	13.0
464.34790	1.6
490.32709	2.5
491.33902	4.0
492.34076	0.6
494.33163	0.6
500.15616	0.7
508.34250	3.1
509.34857	30.9
510.35287	6.3
653.31512	0.6
671.40173	100.0
672.40497	23.1
672.52124	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	672.221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41064	0.6
61.98838	32.4
66.89330	0.6
69.26883	2.6
69.27294	1.4
71.91715	0.5
93.03446	0.7
100.10649	0.7
108.02188	1.2
109.02950	1.6
123.04541	0.8
125.02449	2.8
135.04498	0.9
137.02406	0.9
145.02911	0.6
146.03705	1.7
147.04512	1.1
150.06886	1.1
159.04547	9.0
161.02411	0.8
167.03404	0.6
169.01411	2.3
175.04033	0.7
189.03912	0.6
193.34125	0.6
202.05136	1.7
209.11852	0.8
214.05093	2.2
239.07126	0.8
240.04327	1.1
241.05051	2.6
247.80505	0.8
251.07132	2.5
253.05019	2.1
266.05841	1.5
267.06644	24.9
268.07422	34.4
269.04974	1.0
269.07849	5.4
271.02469	1.7
281.08322	1.2
283.09781	88.2
284.10184	6.9
298.10922	2.9
299.01700	0.8
300.02753	1.7
301.03323	1.2
315.05255	1.0
322.07202	2.2
322.10886	8.6
371.46518	0.7
399.74051	0.7
430.12933	2.6
444.14609	1.6
446.16068	15.8
447.16547	1.8
483.76987	0.7
509.31345	0.9
572.08197	0.7
609.22485	100.0
610.22797	22.5
671.36224	1.5
672.36829	3.5
673.37543	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	672.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.01388	0.5
90.77500	0.3
93.33657	0.2
109.06644	0.3
149.71523	0.3
171.10274	0.4
183.13950	0.3
202.15837	0.3
209.11862	1.4
211.13432	1.8
221.33168	0.3
225.11386	0.3
227.12964	0.6
322.36703	0.4
375.03482	0.3
668.62146	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	673.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27121	0.3
79.95747	3.0
92.04922	0.2
96.96021	100.0
97.95950	0.2
98.95613	0.2
125.02456	0.9
125.59110	0.2
156.96976	0.2
157.78207	0.2
169.01419	0.2
209.57080	0.3
297.47446	0.2
338.03265	0.2
511.14926	1.1
673.20282	7.5
673.31757	0.4
674.20575	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	673.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.06082	0.4
61.98809	0.6
65.00301	0.5
67.01886	1.8
68.99827	0.7
69.03445	0.7
69.15047	3.5
71.01388	3.7
72.99298	0.9
79.01899	1.5
81.03479	0.6
83.01395	1.4
85.02941	1.4
86.77855	0.4
87.00893	0.9
89.02465	1.2
93.74001	0.4
95.01389	2.5
97.02964	0.6
101.02450	2.0
105.01137	0.4
107.01406	8.5
107.02111	0.3
109.02970	2.1
110.00140	0.8
111.00906	3.4
113.02463	1.2
113.25696	0.4
121.02990	0.6
123.00903	15.7
123.04536	0.7
124.01673	1.7
125.02461	31.4
126.02811	0.9
127.00393	1.6
134.62193	0.4
136.98817	2.2
137.02452	0.7
139.00391	6.8
139.03986	1.0
139.91420	0.4
140.01180	6.3
141.01939	1.8
150.03233	0.4
151.00372	8.2
151.04019	0.6
151.64645	0.4
153.01933	1.0
154.99898	0.4
159.04529	0.8
160.05275	0.8
166.99896	1.0
167.03517	0.7
168.00673	10.2
169.01442	33.6
170.01779	2.2
172.05447	0.5
179.03589	0.4
179.27800	0.4
181.01443	0.5
181.05188	0.5
182.02144	0.6
183.03058	2.6
189.05621	0.5
195.02974	0.5
211.02501	4.2
225.04050	1.1
241.05133	1.3
255.06668	0.7
269.08191	1.1
271.04703	3.8
279.06812	0.9
281.08154	0.8
283.09985	0.4
285.06155	0.6
295.09738	0.7
297.06210	1.7
299.09271	1.0
301.03314	0.5
311.09229	2.4
313.05670	4.6
313.10986	0.9
314.11563	0.9
327.12424	0.8
329.13931	0.5
344.12762	2.1
345.13416	1.8
359.15012	2.8
397.01047	0.5
475.09137	0.6
507.18677	1.8
533.56659	0.4
627.17438	0.5
673.21405	100.0
674.21692	19.2
682.85175	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	673.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	0.4
59.01388	1.6
59.08147	0.4
69.01463	4.0
71.01398	0.6
97.02966	0.4
107.01400	2.2
111.00856	1.2
123.00890	1.9
124.01646	2.2
125.02467	13.8
126.02820	0.8
127.00380	0.8
136.98820	1.3
139.00378	1.7
139.04039	0.5
140.01186	2.5
145.03000	0.6
151.00389	1.4
165.01935	0.4
167.03519	1.4
168.00647	10.4
169.01445	24.8
170.01727	0.9
183.03027	0.8
211.02492	53.0
212.02809	2.3
218.24510	0.4
224.04799	0.8
238.06328	0.5
241.03604	0.8
254.09518	0.5
255.10202	1.1
266.06003	0.4
271.04611	100.0
272.04950	5.5
283.09811	5.0
285.06241	0.8
295.09753	0.6
298.11978	0.7
311.09274	10.4
312.09625	1.2
325.10767	0.6
326.11600	6.4
327.12137	1.1
331.06714	23.5
332.07056	2.1
341.14029	1.8
342.14383	0.5
396.11801	0.4
673.21356	14.6
674.21375	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	673.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.18946	0.4
57.03435	0.5
59.01123	0.5
59.01385	4.1
61.98842	0.6
65.00320	0.4
67.01891	1.4
71.01385	3.9
72.99309	1.2
73.02972	0.7
79.01890	1.8
83.01407	1.5
85.02965	1.4
87.00883	0.6
89.02444	1.6
95.01392	3.0
96.96043	0.5
97.02989	0.8
99.00838	0.5
101.02461	2.9
107.01396	5.7
108.60360	0.4
109.02966	2.7
110.00094	0.6
111.00900	5.0
113.02452	1.5
118.24863	0.5
123.00901	19.9
123.04514	0.5
124.01679	1.8
125.01538	1.0
125.02460	20.2
126.02843	0.4
127.00381	0.9
135.04468	0.6
136.98820	2.4
137.02521	0.7
139.00388	7.7
139.04031	0.8
140.01175	5.2
141.01976	2.5
151.00388	9.9
151.04065	0.8
153.02008	0.8
154.99876	0.4
159.04555	0.9
165.01926	0.4
166.99873	0.8
168.00662	10.8
169.01448	23.0
170.01801	0.8
173.06131	0.6
175.04022	0.4
177.04056	0.6
179.03529	0.7
183.03058	2.3
189.05617	0.4
191.03590	0.5
192.00742	0.4
211.02478	4.5
225.03987	1.0
237.70708	0.5
241.05119	1.3
255.06717	1.0
257.28265	0.5
267.06522	0.5
271.04587	4.5
279.06500	0.6
281.08200	0.8
295.09857	1.3
297.06171	1.0
311.09247	1.8
313.05722	1.4
313.10498	0.9
326.11621	0.6
327.12305	0.9
344.12714	2.5
345.13425	3.0
359.15015	4.6
360.15677	0.6
475.08823	0.7
507.18854	3.1
521.20386	1.6
594.24103	0.5
672.39758	0.7
673.21405	100.0
674.21808	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	673.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80800	0.4
59.52827	0.5
67.01877	0.6
69.03441	0.7
69.29354	1.8
69.29779	1.9
69.79659	0.5
71.01371	0.6
81.03458	0.6
83.01421	0.5
95.01397	0.8
97.02958	1.1
98.22506	0.7
107.01402	12.3
108.01659	0.5
111.00896	1.0
123.00884	1.9
124.01687	3.4
125.02458	74.8
125.65943	0.6
126.02821	1.6
139.00374	1.7
139.04045	1.8
140.01175	1.7
166.99887	0.6
168.00644	6.8
169.01440	100.0
170.01759	4.2
183.03000	10.7
209.11823	0.7
251.60457	0.6
283.09848	1.5
310.12585	0.6
311.09277	3.9
312.10037	2.0
321.37082	0.5
326.11548	2.8
327.12314	1.8
331.06799	3.2
341.13983	1.3
511.16132	52.9
512.16406	7.1
673.21460	37.2
674.21741	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	673.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00305	1.3
67.01889	2.0
71.01398	1.6
71.26283	1.5
71.26640	1.5
72.44912	1.0
79.01908	1.5
81.03468	1.2
83.01385	2.0
84.72657	1.0
88.98823	3.0
95.01408	4.4
95.38256	1.0
97.02979	1.9
107.01394	12.2
109.02957	3.0
110.00133	1.4
111.00900	4.9
121.02959	2.3
123.00902	18.6
124.01674	4.3
125.02464	27.3
127.00372	2.0
135.04532	2.3
136.01683	1.8
136.98848	5.1
137.02461	5.8
139.00369	11.3
139.04036	11.2
140.01198	10.3
141.01950	1.3
143.35339	1.0
143.82994	1.4
151.00357	1.9
153.01950	3.3
154.99931	1.2
161.06149	1.3
166.99857	4.7
168.00661	19.0
169.01437	26.1
181.01440	4.6
182.02263	1.7
183.03008	34.2
189.05611	1.4
197.04593	1.9
209.11836	2.5
245.00923	1.5
300.02518	2.2
495.13120	1.9
496.13757	11.4
497.14404	2.2
511.16132	87.1
512.16461	11.8
583.11090	2.2
673.21417	100.0
674.21759	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29753	0.3
59.01344	1.8
61.98840	2.2
62.35079	0.4
65.00303	0.5
65.80875	0.4
67.01859	1.1
69.03428	0.7
69.26633	1.4
69.27057	1.5
71.01339	1.4
72.99277	0.5
79.01859	1.7
88.94803	0.4
89.02385	0.5
95.01390	6.3
97.02932	0.8
97.82324	0.3
107.01389	2.2
109.02919	0.7
110.00053	0.5
111.00897	3.4
123.00898	25.3
124.01621	1.8
125.02465	13.8
127.00375	0.9
135.69145	0.4
136.98827	2.1
139.00394	7.6
139.03972	1.3
140.01208	4.3
141.01971	2.4
151.00409	2.2
151.04088	0.4
153.01955	0.6
165.01871	0.4
166.99878	8.2
167.03542	0.5
168.00690	3.4
169.01445	9.7
181.01468	0.6
183.02943	1.4
195.02979	2.3
264.07852	0.4
265.08618	0.7
268.07364	0.5
283.72949	0.4
293.08109	1.0
294.08978	0.5
295.09793	0.9
311.09216	1.8
312.09842	1.0
323.52747	0.5
326.11642	3.2
327.12323	5.1
329.46964	0.5
341.13947	1.1
370.10706	0.6
406.85135	0.4
443.70926	0.5
450.12964	0.6
460.11401	1.1
463.10318	3.0
477.12076	0.6
478.12729	21.9
479.12979	3.8
493.15088	100.0
494.15436	17.1
494.22672	0.9
673.21399	22.9
674.21802	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	673.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36436	1.5
59.01378	2.2
61.98838	35.1
63.95262	1.6
69.78792	5.7
71.01373	2.0
80.05062	9.9
87.19202	1.7
94.06630	2.8
104.05033	3.9
106.06633	4.3
107.03768	7.2
108.04564	1.7
117.03494	3.5
119.98417	1.7
122.06135	50.0
125.02435	1.8
132.04529	2.7
134.06129	13.9
136.07709	3.4
139.02762	1.9
145.02943	5.5
146.06104	2.0
148.04063	3.3
151.04031	1.9
152.07185	65.5
153.07579	3.3
157.03506	1.9
160.03944	2.0
160.06328	2.5
161.04904	1.9
165.12790	2.2
169.01418	1.7
174.05605	2.6
180.06667	2.6
183.52138	2.0
188.07167	8.0
190.05128	4.1
195.06606	1.9
209.11832	18.0
211.08739	2.4
213.10350	11.9
222.07921	1.8
225.10345	2.7
226.11081	2.0
227.12961	11.1
237.10237	4.5
239.11943	12.3
241.13516	8.4
245.12880	9.7
250.07373	3.1
251.08200	3.4
251.11896	1.9
252.08992	2.8
253.09677	8.1
263.08310	2.5
263.11935	2.0
265.09772	6.9
266.10333	3.5
267.11295	3.7
277.10019	3.2
278.06995	3.7
278.10565	3.8
279.07736	6.3
279.10999	3.6
285.12485	27.5
293.09296	18.5
293.12888	7.7
294.09909	4.9
295.10855	15.9
306.10120	2.6
307.10861	8.5
309.12399	3.7
313.11884	2.2
314.00491	2.2
323.10312	6.4
325.11798	2.5
329.03012	4.7
337.08344	12.1
338.09225	2.1
339.09879	4.4
351.09631	2.5
355.13144	2.3
358.15546	10.5
384.13345	3.1
385.14209	2.3
389.80728	2.4
400.16711	13.4
412.16794	5.4
417.16577	2.7
431.18469	2.4
432.19257	3.9
444.15759	2.5
458.17004	2.4
459.17969	3.6
460.18726	10.3
474.20123	5.4
476.18387	5.2
486.16589	2.3
503.16766	4.0
504.17642	20.6
505.17761	3.3
518.19415	29.6
519.19763	6.7
523.23199	5.1
536.20172	4.9
550.22095	17.2
551.22217	2.9
565.24603	66.1
566.25043	15.9
597.26965	7.3
609.23566	33.1
610.23712	7.5
641.26221	100.0
642.26709	26.0
673.29041	13.2
674.29425	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	673.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51469	1.3
59.01388	6.2
61.98833	4.5
63.06274	1.2
69.10476	1.9
69.10878	11.6
71.01373	2.8
80.05058	5.7
81.03493	1.3
83.01418	2.0
83.05019	7.7
89.02473	2.2
95.05009	2.2
98.21789	2.4
101.02460	2.8
104.05071	3.1
106.06641	5.2
107.03785	6.0
119.03604	1.2
119.12007	1.5
121.05405	1.7
122.06136	33.5
123.00933	2.9
124.01707	1.6
125.02449	17.9
134.03780	2.0
134.06129	7.7
139.00336	1.3
148.03937	1.6
151.45728	1.3
152.07179	49.3
153.01970	1.7
153.07512	1.7
161.04640	1.8
163.11333	4.7
165.12880	2.8
169.01451	9.8
170.01794	2.0
171.10246	2.9
174.05618	3.2
180.06697	2.2
188.07175	3.8
191.10875	1.6
193.05107	2.3
199.13428	4.6
209.11847	100.0
210.12202	5.9
211.08832	2.2
213.10350	5.5
223.08797	2.4
225.10138	2.8
226.11186	3.0
227.12918	32.9
228.13293	2.2
235.08315	2.3
237.10358	2.6
239.11876	10.4
241.13560	4.0
245.12982	4.7
247.13237	1.7
249.10434	1.6
250.07457	1.4
251.08243	3.6
253.09512	11.7
254.10393	1.5
264.09082	1.5
265.09799	3.7
267.11380	4.0
277.09811	1.4
278.07022	1.9
279.07721	3.5
279.11301	1.7
284.03232	2.4
285.04120	5.1
285.12485	15.5
286.12900	1.8
293.09387	11.4
293.13077	4.2
294.10095	3.1
295.10806	10.7
303.05106	5.6
306.10004	1.4
306.50949	1.5
307.10910	3.9
309.12436	1.7
313.11920	4.5
323.10339	3.9
325.12128	2.4
337.08328	6.2
338.09106	1.4
339.09970	2.1
355.12778	2.7
356.17572	1.6
357.14636	2.0
358.15689	6.9
361.49820	1.6
400.16663	6.5
401.16956	2.0
412.16772	2.7
418.17599	1.7
431.18774	2.4
432.19186	4.9
458.17404	1.8
459.18073	4.0
460.18655	7.0
461.19888	1.7
463.17297	3.9
463.22916	1.7
474.20432	3.2
478.19681	2.3
497.25604	1.9
503.16776	2.2
504.17950	7.3
518.18982	11.9
521.25677	2.1
523.23615	4.8
536.20313	9.0
550.22052	19.1
551.22302	3.8
565.16528	2.6
565.24701	29.3
566.24768	5.2
597.27014	2.0
609.23590	27.0
610.23730	7.6
611.10419	5.5
637.31775	1.6
641.26245	34.1
642.26654	8.2
655.33362	2.4
673.29089	31.7
674.29364	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	673.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08991	1.3
52.26442	1.3
59.01379	2.1
61.98853	7.1
70.96056	1.8
70.96397	2.4
71.01384	2.4
81.03426	1.3
83.05028	4.6
89.02486	2.5
101.02460	2.6
107.03793	3.6
122.06142	23.4
125.02471	4.9
139.02733	1.5
152.07193	39.2
153.07562	2.4
163.11295	4.1
165.12860	2.5
168.25392	1.5
169.01424	2.2
171.10281	5.0
191.10947	1.4
199.13417	4.1
209.11855	100.0
210.12210	5.7
211.13408	4.3
223.12358	1.7
227.12953	26.4
235.08344	3.4
237.10349	1.5
249.10345	3.8
250.10974	1.5
251.11917	4.0
253.09419	6.7
264.09018	1.8
277.09869	2.7
278.10684	4.9
279.11313	6.1
281.09720	1.8
281.12817	1.6
295.10687	1.7
301.03680	2.0
310.13208	8.0
311.13773	2.5
443.18344	4.9
444.18936	1.9
447.21991	1.8
463.21509	2.1
474.20551	3.2
475.21097	4.3
518.19043	2.4
519.20105	38.8
520.20490	6.2
550.21832	3.0
565.24677	3.5
597.27319	3.3
641.26361	32.4
642.26416	9.9
655.33673	2.6
673.28680	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	673.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09061	1.1
56.75251	1.3
59.01370	3.1
61.98819	5.1
69.21172	2.5
69.21572	8.0
69.95573	1.3
71.01369	2.2
83.05040	4.6
94.06641	2.0
101.02451	3.2
107.03787	3.7
116.06255	1.2
122.06136	24.0
125.02469	2.3
125.06178	1.3
133.61322	1.4
134.06125	3.7
138.47260	1.2
139.02780	2.0
152.06010	2.8
152.07187	38.4
152.08426	1.9
153.07510	2.6
157.63159	1.3
163.11314	3.8
165.12865	2.5
169.01433	2.6
171.10248	4.7
178.18100	1.2
191.10785	1.4
199.13425	5.4
209.11842	100.0
210.12231	6.0
211.13493	3.8
219.06523	1.4
225.11292	2.9
227.12900	24.4
228.13097	1.7
235.08380	2.4
236.09663	1.9
239.36952	1.5
249.10243	2.3
251.11823	6.3
253.09348	6.7
256.16333	1.6
263.08221	3.1
277.09708	2.2
278.10596	4.3
279.11475	5.0
301.03497	1.3
309.12527	1.7
310.13263	6.5
358.15625	1.7
400.16568	1.5
443.18622	5.3
474.20349	3.9
475.21106	5.1
518.19525	2.7
519.20123	36.6
520.20325	8.1
565.24750	2.3
597.26953	4.0
609.23981	2.0
641.26257	35.6
642.26483	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	673.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.5
61.98839	11.1
69.81571	3.7
71.01392	14.5
72.99302	0.7
73.02963	2.1
78.30003	0.7
83.01405	0.9
85.02968	2.1
85.57399	0.8
86.00131	0.7
87.00897	2.1
88.98771	0.7
89.02460	15.5
89.02968	1.3
93.03486	2.0
95.01409	1.0
97.02971	0.8
101.02459	10.4
107.01391	1.0
109.02991	1.1
113.02470	6.4
113.36401	0.7
116.92892	0.9
119.03529	7.3
121.02963	0.9
123.00951	0.9
124.01645	0.7
125.02481	4.9
131.03545	2.3
135.04510	1.1
136.05325	1.2
137.02489	1.5
143.03473	1.5
150.06934	2.2
157.38420	0.7
159.04518	1.4
161.04584	4.0
161.06181	0.6
162.74117	0.6
165.09203	0.7
168.00700	1.1
169.01440	3.1
175.07597	0.8
177.09302	0.8
179.05658	11.6
179.10838	1.3
192.67932	0.7
192.89835	0.6
195.06607	1.4
209.11876	2.1
213.53717	0.6
221.06764	4.2
251.07217	0.9
255.02995	0.8
267.06683	2.6
268.07288	5.6
269.07730	3.4
269.19125	3.4
283.09793	9.2
284.10144	8.7
287.20236	2.2
298.10831	2.2
300.02765	1.3
305.21277	8.4
313.00034	1.7
315.04758	1.0
329.02951	1.0
329.13953	1.5
331.19165	18.0
332.19562	1.8
341.10907	1.4
349.20233	100.0
350.20496	12.2
384.10141	0.7
391.21429	3.6
446.16138	1.2
447.16290	2.3
463.07462	0.9
493.15201	1.5
511.37100	4.3
529.54962	1.0
589.69696	0.8
609.21826	1.3
610.22784	22.5
611.22717	2.9
673.30627	78.4
674.20667	0.8
674.31036	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	0.3
59.01388	2.0
67.44299	0.3
71.01382	1.8
80.02682	1.1
81.03466	0.9
83.01376	0.3
83.05040	3.8
84.01624	0.3
84.02162	1.0
84.05370	0.3
85.02948	0.5
87.00913	0.4
89.02451	1.1
95.05030	0.7
97.06606	0.3
98.22290	1.6
101.02456	1.6
107.81126	0.2
109.06602	0.4
110.26424	0.2
113.02448	0.5
119.03528	0.3
123.34740	0.3
125.06089	0.6
126.46613	0.2
135.08173	0.6
148.14867	0.2
154.23843	0.2
161.04573	0.6
163.11320	3.3
165.12845	2.4
171.10306	2.9
181.12292	0.4
191.10820	1.0
199.13416	1.1
207.10277	0.3
209.11845	100.0
210.12177	6.4
221.06731	0.3
221.11842	0.4
225.11375	0.3
227.12906	15.5
228.13264	1.1
235.08223	1.7
247.13361	1.8
253.09299	5.7
254.09601	0.3
265.14560	0.5
401.23117	0.3
445.21167	0.5
463.22055	0.5
637.32080	1.1
655.33307	0.6
673.34167	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	673.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75449	0.2
57.03466	0.2
59.01381	1.9
70.00185	0.6
71.01391	2.1
71.05038	0.3
73.02949	0.6
80.02685	1.2
81.03480	1.4
83.01389	0.4
83.05036	4.6
84.02164	0.6
85.02950	0.4
87.00893	0.4
89.02456	1.2
91.15979	0.2
93.03472	0.4
95.05019	0.7
97.02975	0.2
97.69619	0.2
98.22621	0.2
101.02478	2.1
113.02479	0.9
119.03500	0.3
125.02448	0.4
125.06081	0.6
125.09712	0.2
129.90836	0.2
135.08182	0.9
143.03546	0.2
145.05058	0.2
149.09772	0.2
150.08748	0.2
161.04550	0.8
163.11302	3.5
164.24980	0.2
165.12865	2.6
169.01424	0.4
171.10269	2.4
181.12367	0.7
183.13945	0.2
191.10770	0.7
199.13426	0.8
203.14388	0.2
209.11847	100.0
210.12183	6.2
211.13307	0.2
221.11877	0.5
223.13368	0.2
227.12903	13.6
228.13232	0.7
235.08331	1.4
247.13371	1.4
253.09320	5.4
253.11266	0.1
265.14508	0.5
401.23087	0.4
419.24344	0.4
445.20953	0.6
586.62500	0.2
612.31403	0.2
637.32318	0.8
655.32697	0.4
673.34772	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	673.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51755	0.8
53.82175	1.0
56.04688	0.9
59.01374	2.3
61.98837	12.3
62.41337	0.9
71.01376	5.1
71.26003	0.9
83.05093	1.0
86.96049	0.9
101.02441	1.6
111.51581	0.9
145.05029	1.0
163.11333	1.1
167.14450	1.2
171.10284	1.3
183.13933	6.9
199.13445	2.2
201.11354	1.2
207.10066	1.8
209.11858	9.4
210.12253	1.1
211.13405	100.0
212.13737	6.8
225.11383	2.7
227.12936	6.2
235.08220	2.2
253.09343	4.4
401.59750	0.9
447.22375	5.9
448.22046	1.2
559.96405	1.0
623.34601	1.1
673.34070	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	673.3811
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
53.71263	1.0
57.03454	1.0
59.01382	1.7
61.98846	6.5
69.14066	0.9
74.10829	0.8
78.66119	0.9
83.27232	0.9
93.03473	1.0
102.67890	0.8
107.01379	0.9
122.03757	1.7
123.00918	1.8
123.04554	1.4
123.08178	1.0
125.02467	6.4
135.04564	2.4
136.05312	39.6
137.02463	1.3
137.09682	0.9
140.91275	0.9
149.06126	6.1
150.06894	5.7
161.02487	1.0
162.06857	3.7
163.07707	1.4
164.08443	3.0
165.09229	31.4
166.09492	1.8
169.01457	6.4
177.09407	1.7
179.10823	1.3
183.02979	1.1
207.50342	1.0
209.11867	3.3
223.41006	1.1
229.31171	1.0
271.02271	2.3
294.89319	0.9
298.10928	1.4
300.02838	1.8
301.03268	1.4
315.05249	1.9
345.22812	7.9
349.20212	1.5
447.30963	1.9
450.29742	1.7
465.32257	12.7
466.32928	1.5
492.30890	1.0
493.31796	3.5
493.42004	0.9
499.37726	0.9
510.31949	2.1
510.49008	0.9
511.15942	1.7
511.32574	26.0
512.33356	4.0
640.09363	1.0
673.20349	3.9
673.38074	100.0
674.38342	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	675.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.2
59.01369	0.9
67.01884	2.9
69.23928	5.7
69.32443	0.7
76.59499	1.0
78.89632	0.7
78.95915	1.0
79.54292	0.8
85.02421	0.9
85.02953	22.5
87.00883	33.0
111.00887	100.0
112.01237	2.8
123.00844	1.0
125.02454	10.0
129.01941	3.6
130.99887	1.0
148.85216	0.7
149.45384	0.7
149.67561	0.7
168.00642	0.8
169.01430	18.7
173.00938	3.3
191.01985	96.4
192.02357	2.4
211.02396	1.8
233.76314	0.7
266.34836	0.7
271.04639	2.4
331.06845	1.8
343.06747	1.0
483.07828	15.5
484.08099	2.2
495.28738	0.9
615.10675	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	675.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01384	4.1
61.70422	0.4
68.23258	0.4
69.67584	1.8
71.01383	2.8
85.02950	5.6
87.00890	1.8
87.80692	0.4
89.02442	1.5
93.03439	2.0
94.95298	0.4
95.01390	0.8
98.21854	0.5
101.02444	0.6
107.01404	0.5
109.02985	0.4
111.00868	1.7
111.04527	0.7
113.02493	0.9
119.03445	0.6
123.00893	3.1
125.02457	6.5
127.04031	1.7
139.00403	0.7
141.02005	0.6
151.00375	4.7
160.56255	0.4
168.00661	1.3
169.01430	16.8
170.01768	0.7
173.04526	0.8
191.02130	2.7
191.05621	100.0
192.06006	3.8
194.01530	0.4
211.02467	3.0
229.11917	0.5
266.68500	0.4
271.04654	2.5
277.28848	0.4
331.06711	34.3
332.06940	2.8
343.06696	30.7
344.03479	0.6
344.07028	2.8
590.68604	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	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
60.58132	0.3
63.02621	0.3
69.21770	2.3
71.01376	0.8
72.72556	0.3
73.02958	0.3
81.90470	0.3
89.02438	0.4
95.01461	0.3
101.02417	0.3
111.71259	0.3
113.02440	0.6
117.03472	30.5
118.03816	1.5
119.05032	9.5
125.02480	0.5
137.15288	0.2
145.02963	100.0
146.03297	5.4
161.06084	0.3
163.04013	9.7
214.62062	0.3
235.06184	1.1
284.06046	0.3
289.07281	0.6
291.49515	0.3
307.08145	0.9
451.12497	0.7
453.12057	1.2
469.14001	1.5
487.14459	2.5
511.14337	1.3
529.15668	6.6
530.15918	0.8
615.17438	2.2
616.17902	0.5
633.18402	3.2
634.18671	0.7
675.19330	11.2
676.19427	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	675.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.4
60.24411	0.9
70.60435	2.0
70.60757	1.1
71.01376	4.2
73.02944	1.4
78.95893	1.2
81.03495	1.0
85.02934	1.3
95.01411	2.0
96.95999	1.5
101.02464	1.5
111.00865	3.1
123.00908	5.3
124.01685	1.9
125.02456	13.7
127.00328	1.9
136.98764	1.7
139.00374	3.2
140.01169	5.6
151.00357	3.3
152.99649	1.1
168.00645	1.9
169.01460	10.1
197.11841	3.6
209.11754	2.1
227.12813	1.2
276.39740	1.1
381.22720	7.8
543.28326	8.1
552.20770	1.3
621.32709	1.3
675.32330	100.0
676.32593	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	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19891	1.5
55.01888	2.4
59.01092	2.1
59.01389	38.8
61.98816	2.5
69.03464	3.5
71.01392	35.6
71.27395	2.3
71.45440	1.6
72.99305	2.5
73.02950	5.9
78.95920	2.7
80.97674	1.4
81.03475	2.7
83.01398	4.6
85.02962	10.5
87.00894	10.1
89.02457	33.6
95.01425	2.3
97.02955	5.0
99.00903	2.6
101.02454	34.1
102.58469	1.7
113.02472	13.5
119.03516	10.2
125.02466	15.7
131.03564	2.5
139.04091	1.9
143.03508	6.3
161.04549	5.3
179.05641	6.5
201.27629	1.3
221.06711	2.9
235.08247	13.7
253.09311	4.6
263.07568	2.3
277.21759	100.0
278.21964	9.4
287.07748	2.0
293.66342	2.1
305.08792	3.6
305.74265	1.7
323.09952	1.9
379.03619	1.6
397.13541	82.3
398.13937	6.2
415.09393	2.6
415.14630	38.1
416.15030	2.7
439.98883	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	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03444	1.3
58.00593	2.3
59.01387	42.9
60.01727	0.5
68.99822	1.1
69.03470	2.0
71.01389	42.1
72.01736	0.7
72.99313	3.3
73.02955	7.1
74.03313	0.3
75.00882	0.8
81.03478	2.3
81.12766	0.3
83.01394	4.6
83.05042	0.5
85.02963	8.6
87.00887	9.9
89.02456	33.6
90.02791	0.5
91.04001	0.7
95.01395	3.1
97.02962	7.3
99.00899	2.3
99.04541	0.7
101.02454	36.0
109.02995	0.6
111.00902	0.9
111.04538	1.0
113.02467	15.7
115.04034	0.7
119.02669	0.7
119.03515	11.8
121.02934	0.7
124.01660	0.4
125.01537	0.7
125.02466	13.6
127.04060	0.4
127.07700	0.5
131.03508	2.1
133.05084	1.1
137.02464	0.6
139.04008	1.3
141.01886	0.5
142.02657	0.3
143.03517	7.4
149.02502	0.5
149.04587	1.3
152.99605	0.4
157.05067	0.5
157.72142	0.3
161.04591	7.6
167.03508	1.1
171.03070	0.4
179.05618	7.4
185.04597	0.8
199.06215	0.6
203.05609	0.8
217.07190	1.2
219.05136	0.6
219.70741	0.4
221.06682	2.5
228.63229	0.3
235.08246	16.5
236.08606	0.6
236.71922	0.3
245.06564	0.9
253.09317	4.2
259.20819	0.5
263.07709	1.7
277.09363	1.3
277.21756	100.0
278.19235	0.7
278.22119	9.1
287.07776	3.2
305.08792	3.8
306.09052	0.4
323.09946	1.8
361.11420	0.7
379.12433	1.5
379.96701	0.4
393.58990	0.3
397.13544	80.9
398.13867	6.2
415.14624	36.1
416.14978	3.3
419.34207	0.4
615.24353	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	675.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75284	1.0
59.01386	1.2
71.01405	0.9
78.57893	1.0
97.06623	1.7
98.22585	1.8
102.90101	0.9
113.09740	2.8
115.07655	2.1
141.09233	3.3
153.12820	1.5
165.12933	4.4
167.10933	1.4
167.14459	2.6
179.07556	1.2
181.12379	4.9
183.13977	2.4
193.12346	2.0
193.15939	1.1
195.13905	2.9
201.11420	1.0
211.13406	4.8
221.15474	3.6
228.64340	1.2
240.13722	1.2
247.20688	5.6
255.16040	2.6
255.23355	1.2
273.18661	3.7
281.21277	2.6
291.19666	38.7
292.20145	3.8
307.19113	1.3
309.20734	100.0
310.21198	8.4
311.22171	1.7
383.24362	3.9
395.85867	1.0
464.83630	1.1
606.37531	1.7
675.44580	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	677.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21282	0.7
58.50970	0.6
67.53230	0.5
69.96275	0.6
70.51739	0.5
71.26627	1.5
74.02401	0.6
80.96526	100.0
84.54204	0.6
100.70174	0.6
145.60246	0.8
163.04332	0.9
179.03867	6.3
191.03734	0.7
201.80190	0.6
215.72224	0.6
245.00835	0.7
247.02538	1.2
301.79233	0.7
453.06998	0.9
479.04700	2.6
529.54462	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	677.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	10.6
69.10132	6.0
70.02972	4.7
72.00920	3.3
91.05550	2.9
98.21803	1.6
106.88548	0.7
125.02423	0.7
147.04541	21.2
148.04836	1.3
164.07179	58.6
165.07509	2.6
206.08234	100.0
207.08592	6.1
250.07251	0.9
310.59177	0.7
438.57382	0.7
656.10284	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	677.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
60.11399	1.4
63.02401	3.8
65.00331	9.1
71.01381	2.6
71.08823	3.1
71.09167	1.9
72.76073	1.4
83.01385	5.8
93.03455	2.7
96.00925	1.4
107.01397	12.3
121.02956	10.6
125.02480	6.4
137.02475	1.6
139.04059	2.3
149.02498	1.7
151.00388	38.7
169.01485	7.6
178.99878	19.5
245.04460	1.6
258.94888	1.4
273.04108	2.4
295.71487	1.7
301.03558	100.0
302.03885	7.0
375.20200	18.4
376.20654	2.3
398.57523	1.9
435.17715	1.6
449.09906	1.8
460.16980	1.6
527.90344	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	677.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.3
57.03453	54.3
58.00594	1.8
59.01385	73.2
69.03464	3.9
69.47474	10.8
71.01390	68.1
72.99311	4.9
73.02953	24.2
75.00875	7.4
81.01193	1.6
81.03481	3.5
83.01405	9.1
85.02958	38.0
87.00903	13.7
87.04523	2.2
89.02453	43.0
95.01414	4.7
97.02949	9.5
97.24519	1.9
98.22237	5.6
99.00887	4.5
99.04523	29.4
101.02452	84.6
113.02466	27.6
115.04021	3.1
119.03514	14.0
124.01694	4.9
125.02464	41.4
125.03358	3.3
125.38764	2.0
126.02831	2.1
131.03558	3.9
137.99306	1.5
143.03517	20.5
145.17245	1.8
159.03009	3.6
161.02512	2.6
161.04582	43.1
169.01447	4.2
171.26306	1.7
179.05612	23.2
188.14201	1.7
188.89429	1.8
209.15439	2.7
221.06775	5.9
235.08418	2.2
263.07782	4.9
275.01926	2.2
339.43933	1.7
353.19754	2.0
515.24841	16.8
516.24896	2.4
533.26074	100.0
534.26361	18.1
575.27148	21.7
576.27942	4.1
615.29645	2.1
677.30206	45.0
678.30383	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	677.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	21.3
58.31837	0.9
59.01398	1.0
59.10159	1.0
61.75115	1.0
65.03974	2.6
67.01891	2.6
69.03466	10.8
70.30780	2.6
71.01380	3.7
77.23141	1.0
81.03466	27.1
83.01410	5.9
83.05029	8.3
95.05030	13.7
97.02971	1.3
97.06642	1.2
107.05049	6.5
109.03007	1.2
119.05058	3.7
121.06657	1.7
123.04546	3.6
125.02461	100.0
125.06155	1.4
126.02804	3.3
135.08113	1.4
140.71964	0.9
151.04030	17.2
158.89995	1.1
159.08231	1.2
167.03519	1.1
177.09274	1.7
194.19969	1.1
203.07164	8.4
206.73991	1.1
215.75928	1.0
239.20190	4.1
279.23410	3.1
315.15610	1.2
321.24362	2.4
349.24017	2.1
357.24570	1.5
365.23389	15.7
366.23593	3.0
375.25443	3.7
391.24905	3.8
393.22873	4.4
419.24561	11.9
420.24805	2.1
437.25543	2.9
471.27615	2.1
489.28629	2.2
497.29587	1.4
507.29846	5.2
508.29782	1.2
515.30304	4.0
533.23389	0.7
533.31232	20.6
534.31567	3.5
551.32294	29.9
552.32751	4.4
579.33392	1.5
615.35376	4.8
633.36224	7.0
641.33319	1.8
659.34473	5.0
677.35461	40.6
678.35718	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	677.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03449	1.1
58.00598	1.9
59.01387	36.1
69.03450	1.7
69.68496	1.8
71.01391	33.7
72.99334	3.1
73.02959	5.5
75.00886	1.0
81.03464	1.5
81.76394	0.7
83.01396	3.6
85.02958	7.3
87.00887	8.9
89.02458	28.1
91.04039	0.8
95.01411	2.6
97.02964	6.7
98.22496	1.0
99.00904	1.8
101.02453	26.0
107.39566	0.5
109.02978	1.1
111.00917	0.7
111.04594	0.6
113.02461	14.2
119.02694	0.7
119.03516	10.3
123.00921	0.7
125.02465	13.8
131.03537	2.0
133.05095	1.1
139.03989	1.2
141.01932	0.7
143.03535	5.8
149.04593	1.2
161.04587	7.8
167.03595	1.0
179.05632	6.4
189.44096	0.6
217.07213	1.1
221.06664	2.1
235.08247	14.0
245.06873	0.7
253.09265	3.4
263.07755	1.5
277.09467	0.9
279.23331	100.0
280.23672	10.9
287.07755	2.9
305.08862	4.3
323.09726	1.5
379.12582	0.8
397.13547	79.6
398.13779	6.9
415.14597	31.0
415.20261	1.1
416.15082	2.9
533.27362	0.6
636.46625	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	677.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	0.2
61.16252	0.2
69.95083	0.1
71.27127	0.2
80.05067	0.2
81.03464	8.8
82.03787	0.2
83.05035	21.5
84.05367	0.5
96.62973	0.1
100.07724	0.3
107.06153	0.3
108.04592	0.6
123.00915	0.1
125.02469	0.8
125.07209	1.3
126.05629	0.6
143.08270	0.9
157.13470	0.3
169.01440	0.8
183.15005	0.2
190.03174	0.1
197.08028	0.1
207.15059	1.9
208.13527	0.2
222.16100	0.2
224.17714	3.4
225.16104	13.8
226.16536	0.9
237.29276	0.1
242.18773	1.1
250.15582	0.2
256.82889	0.1
265.17978	0.1
268.16772	0.2
282.55902	0.1
290.22528	0.4
308.23245	0.2
309.21719	0.6
324.26657	0.8
333.23004	1.1
341.29318	1.3
351.24097	0.2
363.11118	0.2
367.27090	1.0
385.28305	0.4
407.33801	0.2
433.31815	1.3
434.32022	0.3
436.86969	0.1
450.34586	1.7
451.32907	5.7
452.33136	1.0
525.16193	0.3
533.40839	0.2
550.43652	0.9
559.39954	0.6
560.40112	0.2
565.44720	0.3
567.45648	0.2
593.44037	0.9
594.44446	0.2
659.48590	1.5
660.48981	0.3
677.49707	100.0
678.50006	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
58.02971	0.3
58.42747	0.1
61.20794	0.2
63.61691	0.2
71.26765	0.2
80.05077	0.3
81.03463	8.3
82.03785	0.2
82.21953	0.1
82.62257	0.2
83.05035	20.2
84.05358	0.4
100.07688	0.4
102.54768	0.2
103.09335	0.2
105.23293	0.2
107.01360	0.2
107.06162	0.4
108.04563	0.5
125.02442	1.2
125.07238	1.4
126.02776	0.2
126.05636	0.5
143.08287	0.7
157.13408	0.3
161.02493	0.2
169.01445	0.8
182.64511	0.2
207.15041	1.5
208.15475	0.2
224.17693	3.2
225.16100	13.6
226.16431	0.8
242.18817	0.7
268.16666	0.3
290.22321	0.3
301.00009	0.2
301.03848	0.1
309.21741	0.9
311.85406	0.2
324.26682	0.6
333.23044	1.0
341.29306	1.1
351.24271	0.3
367.27151	1.1
385.28235	0.2
401.07022	0.2
407.33734	0.2
432.34879	0.2
433.31720	1.4
434.32123	0.2
450.34589	1.6
451.32935	6.2
452.33215	0.9
516.39514	0.2
525.16010	0.4
550.43414	1.2
551.43738	0.2
559.39807	0.4
593.43762	0.8
659.48602	1.5
660.48981	0.5
677.49719	100.0
678.50037	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64377	3.5
57.03432	6.9
68.96435	46.3
96.96030	18.9
96.96982	5.7
107.01398	11.8
107.29633	3.7
116.19353	4.5
122.38810	4.4
123.00865	10.7
123.04514	6.9
125.02449	85.7
126.02797	5.9
137.02502	6.0
149.02454	5.8
151.00386	18.8
151.04024	12.9
161.02469	9.7
163.00310	5.4
167.03545	4.0
169.01468	52.4
169.16652	4.0
170.01784	6.3
198.32564	4.6
211.02443	4.8
225.07584	4.6
232.52197	5.1
243.02991	6.5
255.02995	23.4
271.02414	30.0
300.02802	77.1
301.03473	37.3
370.65070	4.5
407.07785	4.8
463.08813	17.3
615.10022	100.0
616.10254	16.2
679.17700	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	678.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
55.02153	2.3
65.00323	6.3
71.27010	2.4
75.07856	2.2
90.21966	1.9
92.05071	50.0
92.05669	2.7
97.02953	2.4
98.22625	5.5
99.00887	6.7
107.01404	11.3
109.02968	7.2
121.02969	9.3
123.00922	2.4
123.04494	3.3
125.02467	44.4
125.71096	2.2
128.38118	2.3
130.06660	2.1
136.04066	70.3
137.02466	6.4
139.00621	2.5
148.07709	7.9
149.02477	2.7
151.00377	41.7
151.04068	3.3
169.01440	78.3
170.01811	3.1
174.05630	5.9
178.99899	14.4
193.01489	2.6
203.07309	3.0
218.04543	6.0
227.07114	2.9
227.30081	2.2
236.05663	43.7
245.08136	4.9
255.03061	2.5
262.55591	2.2
271.06253	3.4
289.07254	30.7
301.03571	100.0
302.03900	7.7
313.05563	2.8
345.37469	2.2
351.70590	2.1
441.08270	39.1
442.08630	2.4
450.49634	2.8
463.09015	2.8
498.01230	2.5
615.09863	22.4
616.10333	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	679.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.8
69.44936	1.5
69.45341	4.1
72.99316	17.3
73.02936	1.1
75.00879	1.1
81.07100	1.3
98.22570	0.7
99.08157	7.3
107.01372	1.0
113.06094	3.9
115.07663	56.8
116.07997	1.3
121.02950	0.9
123.00893	5.3
124.01643	2.4
125.02460	8.6
125.06090	1.4
129.05586	32.3
130.06001	0.9
139.04034	4.7
143.07159	21.0
149.02414	1.7
151.00337	3.1
153.01973	9.1
159.06602	3.0
161.08212	0.9
166.02632	1.7
167.03505	31.0
168.03819	1.6
169.01433	17.3
174.77980	0.8
177.01917	1.5
179.31180	0.8
194.90773	0.7
205.07182	100.0
206.07599	4.6
244.02921	0.7
263.57349	0.7
267.98120	0.9
303.05206	1.3
319.04611	25.8
320.04965	2.2
383.43018	0.8
428.31299	0.8
473.07373	8.5
474.07520	1.4
475.28586	0.8
651.24988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20668	0.6
52.93141	0.6
55.18203	0.6
61.98837	0.9
63.02382	1.3
65.00323	3.4
66.76259	0.7
76.70069	0.7
78.02834	0.7
83.01385	2.4
97.85896	0.6
107.01405	8.4
108.02240	1.0
109.02956	1.1
121.02965	5.0
125.02473	4.3
134.25053	0.7
137.42732	0.6
138.21761	0.8
145.02988	0.7
148.01686	1.3
151.00392	30.8
151.04060	0.7
151.49107	0.7
152.00732	1.4
159.04460	0.9
163.00375	1.8
167.05215	0.6
169.01482	5.3
169.02744	1.1
171.04486	0.6
175.03957	1.0
178.03647	0.6
178.98413	1.2
178.99875	13.4
180.00273	0.9
183.04555	2.2
187.04041	1.2
189.05644	0.7
193.01482	0.6
199.04048	6.1
203.03569	1.1
203.74879	0.7
211.04044	1.3
215.03517	1.2
216.04504	0.7
226.02728	1.4
227.03568	6.1
228.64864	0.7
243.02982	13.9
244.03389	1.3
245.04553	1.4
254.02274	1.7
255.03020	26.0
256.03424	2.5
271.02518	52.0
272.02960	5.4
273.04196	1.2
283.02466	1.0
299.02002	29.3
300.02786	97.1
301.03519	61.8
302.03922	5.0
445.08167	1.0
457.07990	1.0
462.08221	5.2
463.08905	20.2
464.09265	1.9
475.08826	4.9
517.09924	100.0
518.10254	13.5
518.17395	1.3
637.14740	0.8
643.20258	2.6
679.15161	24.9
680.15204	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	679.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10907	0.5
59.01355	0.6
61.98815	0.6
63.02387	0.6
65.00326	1.4
71.01384	0.7
71.26860	0.9
83.01384	1.1
88.14017	0.5
90.94306	0.5
96.96008	1.2
107.01405	2.9
108.02180	1.5
109.02979	0.9
112.09071	0.5
120.77250	0.5
121.02963	2.3
125.02464	0.9
135.00880	0.6
148.01685	1.2
151.00389	11.8
159.04532	0.7
163.00391	1.8
169.01477	1.0
178.99850	5.9
183.04597	0.6
215.03461	0.7
226.02617	1.2
227.03517	1.7
229.05162	0.7
239.03558	0.6
243.02965	7.4
244.03439	0.8
254.02237	1.6
255.03018	23.2
256.03351	1.7
271.02512	45.6
272.02957	4.4
299.02048	2.8
300.02780	89.2
301.03485	32.4
302.03860	1.8
308.55093	0.5
326.37820	0.6
457.07980	1.2
463.08948	1.4
475.08856	5.8
476.09067	0.8
517.09912	100.0
518.10284	14.5
601.53052	0.6
679.14984	2.2
679.34961	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	679.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05194	1.5
60.52850	1.5
61.26672	1.3
61.98835	100.0
74.83369	1.6
83.83665	1.5
93.66750	1.4
98.22303	8.9
112.01519	1.5
197.11848	34.4
198.12204	2.7
202.66400	2.0
209.11832	46.1
227.12895	10.0
253.09407	4.7
433.21042	3.3
445.20749	3.5
625.32245	2.1
679.30902	10.3
684.53137	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	679.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03449	1.2
58.00593	1.7
59.01093	1.8
59.01386	36.4
66.43900	0.7
69.03461	1.6
70.79113	1.0
70.79440	1.4
71.01391	33.3
72.99318	2.7
73.02961	6.3
78.94226	0.7
81.03466	1.8
83.01398	4.2
85.02954	8.1
87.00873	9.5
89.02456	26.9
95.01400	3.1
97.02966	6.1
99.00893	2.0
101.02451	29.7
101.03125	1.4
102.02787	0.7
111.04500	0.7
113.02462	15.6
117.01099	0.9
119.03507	9.7
125.02454	12.7
128.84009	0.7
131.03503	1.5
133.05052	1.1
135.89027	0.8
143.03493	5.0
149.04491	1.6
161.04614	6.1
175.62386	0.8
179.05614	6.8
185.04678	1.0
190.27855	0.8
200.22334	0.7
219.04874	0.9
221.06709	1.9
235.08253	14.2
236.08710	1.3
253.09372	3.6
253.63802	1.0
263.07703	1.6
277.09583	1.2
281.24884	100.0
282.25244	9.1
287.07733	3.5
305.08694	4.2
323.09802	2.5
379.12564	0.8
397.13531	80.3
398.13766	7.7
415.14594	36.3
415.20285	1.4
416.14886	3.2
436.62460	0.9
477.28751	0.8
486.68051	0.8
491.18250	0.9
560.54303	0.8
697.81537	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	680.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93816	86.4
58.97406	97.2
60.26611	84.3
61.98829	100.0
71.76866	89.3
85.97612	73.5
125.61953	92.6
163.68655	82.5
209.21497	81.9
211.13480	99.2
222.12595	84.8
224.17892	79.7
233.99081	86.0
253.48048	90.9
258.19547	92.3
413.39124	95.6
452.79980	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70539	2.5
59.01373	7.4
61.98832	5.5
68.96736	2.5
68.97060	29.1
71.01383	9.6
73.13052	2.5
81.77334	2.3
83.01414	2.6
85.02943	4.0
95.01354	2.5
96.88885	2.6
96.96020	8.0
101.02494	4.4
101.80217	3.0
122.06018	3.0
125.02472	15.9
134.06142	26.4
136.03371	2.6
152.07216	2.9
162.05678	2.8
169.01471	9.7
176.96338	3.1
211.08751	2.9
222.07690	3.8
225.10344	8.0
235.08731	6.2
251.08273	5.1
260.93195	2.6
265.09824	3.8
277.09775	7.0
279.07935	13.2
279.10928	3.3
291.07544	3.2
293.09442	9.6
305.09293	7.6
307.11157	5.9
321.08926	6.0
333.08838	3.7
440.16580	4.1
442.17850	4.6
468.15497	4.7
486.16721	6.1
616.78992	2.8
645.23804	2.9
648.21997	39.2
649.22363	7.1
680.24652	100.0
681.25287	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	681.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59345	2.2
57.38788	1.9
57.60513	2.6
58.03021	2.1
69.03465	2.5
71.01386	4.7
71.26822	3.3
78.39582	2.1
79.44059	2.4
85.02976	14.4
88.93742	2.0
95.01411	3.8
97.03005	3.4
105.03522	2.8
107.01399	18.3
109.02943	4.3
111.00897	3.8
113.02456	6.1
117.03491	5.0
119.05082	14.0
121.02947	3.1
123.00915	12.4
124.01659	2.9
125.02465	100.0
131.05023	4.0
132.02220	2.3
133.02991	3.4
135.04514	9.3
137.02481	7.5
137.06116	7.5
140.01190	3.2
145.02966	8.9
147.04573	15.6
149.02470	5.6
149.06094	12.3
150.03201	3.3
151.00404	4.7
157.02930	2.4
159.04517	9.3
160.01721	4.6
161.02466	17.4
162.03258	8.2
163.03993	14.8
164.01172	12.8
165.01959	4.5
165.05583	29.0
166.99916	2.5
168.00610	4.7
169.01437	94.7
170.01772	4.2
173.01060	3.0
173.02483	8.5
174.03152	6.5
174.72592	2.4
175.04025	50.2
176.04607	3.4
177.01953	9.1
177.05565	33.7
185.02463	3.9
189.01994	9.1
190.02695	5.2
191.02126	3.1
191.03520	68.8
192.00551	3.2
192.03957	5.2
193.01453	8.2
193.05066	13.7
201.01944	21.5
202.02634	2.7
203.03514	75.1
204.03905	7.8
205.01402	6.2
206.02148	3.4
209.02838	2.6
209.04568	9.8
211.02509	6.5
217.01418	6.3
217.05034	3.2
219.03011	22.8
221.01038	2.3
221.04543	26.9
222.34926	2.3
229.01443	34.7
230.01819	3.5
233.04362	4.6
235.02512	27.9
235.06201	7.1
243.03284	2.8
245.00905	13.2
245.04575	2.3
246.01678	4.8
247.02481	77.5
248.02867	5.7
253.03477	2.7
261.04077	10.7
263.02072	3.1
265.03500	24.5
266.03802	3.9
273.00427	16.1
277.03571	4.2
279.05066	12.0
287.01962	5.6
291.01477	14.4
298.98193	3.2
300.50299	2.4
305.03033	6.3
309.02557	3.8
323.03949	4.4
337.05698	3.0
361.05908	5.1
363.03583	4.7
373.05609	6.5
391.06693	5.7
393.04688	9.5
407.06635	3.9
417.04651	4.5
435.05685	5.1
467.07742	2.8
545.06360	2.5
549.09143	10.3
561.09106	8.0
577.08270	18.5
587.06732	18.1
588.07214	3.8
593.08069	4.5
605.07849	58.0
606.08289	11.0
613.04474	3.9
631.05743	7.6
637.10272	3.4
645.07196	3.3
663.08344	58.6
664.08630	11.9
681.09277	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	681.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24669	1.9
68.99830	2.4
69.01865	2.3
69.03451	2.8
69.19806	18.6
71.01389	2.6
72.99301	3.6
83.01436	2.2
84.25987	2.6
85.02963	7.0
95.01398	5.0
97.02931	2.6
101.02442	2.6
103.05538	2.6
105.03458	3.4
107.01401	20.2
109.02949	4.1
113.02478	5.9
116.62772	2.4
117.03468	4.1
119.05039	10.4
121.02940	3.5
123.00904	7.5
124.01689	5.9
125.02459	93.0
126.02808	3.9
131.05061	5.5
133.02957	4.9
135.04489	4.8
137.02463	17.2
137.06079	7.7
139.00409	2.5
140.01128	2.9
145.02988	6.6
146.03790	4.4
147.04533	19.0
149.02420	3.6
149.06172	12.9
150.03246	2.3
150.56102	2.5
151.00325	3.4
159.04529	10.0
161.02472	22.4
161.06145	2.2
162.03157	6.4
163.00410	4.3
163.04047	18.1
163.14159	2.1
164.01192	9.8
165.01947	15.6
165.05589	34.4
168.00615	5.8
169.01443	100.0
170.01733	3.7
173.02452	10.0
174.03209	8.7
175.04019	43.4
176.04715	2.9
177.01970	7.8
177.05560	34.0
178.06001	4.0
185.02480	3.8
189.01949	6.3
190.02713	7.6
190.99866	2.9
191.02075	3.1
191.03519	64.3
192.03903	4.0
193.01447	6.9
193.05064	13.4
201.01950	19.6
203.03513	85.0
204.03900	4.3
204.45610	2.6
205.01418	8.1
206.02161	2.9
207.02971	2.4
209.00951	21.4
209.04530	13.7
209.78299	2.7
211.02409	6.0
217.01523	5.1
219.03017	18.4
220.03564	3.2
221.04578	27.0
229.01436	31.4
230.02005	3.0
233.04562	8.2
235.02490	32.1
235.06195	7.0
237.04082	4.0
245.00926	7.7
246.01459	3.9
247.02464	61.9
248.02800	5.0
261.03989	9.2
263.01959	4.3
265.03574	35.1
265.94714	2.8
273.00412	11.3
277.03412	6.7
279.05182	10.6
287.02191	4.4
289.03696	2.3
291.01611	16.4
305.02945	5.8
309.02582	6.4
313.05612	2.9
316.99139	2.5
323.04004	5.6
335.04108	5.3
337.05829	3.5
341.05048	2.7
343.06921	3.6
361.05627	5.7
365.05212	3.2
373.05728	6.7
391.06808	8.7
393.04846	8.3
405.08463	4.0
407.05972	3.2
417.04993	3.3
435.05707	7.9
549.09009	10.4
561.09058	4.9
562.09125	2.5
577.08405	10.8
587.06934	15.4
588.06860	3.3
593.07977	8.8
605.07898	71.8
606.08032	9.9
631.05621	7.1
632.06354	2.5
637.09686	2.9
649.06689	6.4
651.78534	2.7
663.08441	72.0
664.08356	12.5
681.09387	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	681.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
57.03446	13.4
59.01386	8.0
69.17494	7.5
69.17902	3.0
71.01371	3.5
83.01401	1.3
84.02149	1.6
85.02957	100.0
86.03287	1.6
87.00890	1.3
101.81887	1.1
119.05022	4.6
125.02450	4.6
129.01967	5.1
133.01456	1.4
147.03017	12.7
163.04008	4.9
169.01424	6.1
172.92314	1.2
176.26366	1.3
191.01987	53.6
192.02310	3.2
209.03040	31.8
261.30450	1.4
263.08835	1.4
305.03204	1.5
325.05811	2.0
337.05710	1.6
355.06714	17.1
356.07098	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	681.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01382	5.3
61.73722	1.1
72.99302	4.7
85.02972	5.0
87.00890	13.6
98.21705	1.8
103.00396	3.9
111.00910	4.3
112.98831	2.3
119.05045	40.1
119.58148	1.1
120.05431	1.9
130.99905	2.1
149.00937	100.0
150.01231	1.7
150.37733	1.1
153.08542	1.2
163.04025	49.6
164.04337	2.5
166.75960	1.3
188.86679	1.0
197.06998	1.0
205.03543	4.4
223.04616	26.9
224.04886	1.7
244.90361	1.2
290.72607	1.2
295.04605	18.4
331.96948	1.3
387.79062	1.2
464.46823	1.2
465.12537	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	681.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21842	2.0
69.19199	15.6
71.01382	2.3
76.48652	2.0
91.68225	1.7
109.02990	1.8
114.86265	1.6
119.05018	20.1
125.02474	6.5
130.61154	2.0
147.04674	2.0
151.00313	3.6
154.59550	2.0
168.00636	8.1
169.01436	5.6
177.02107	2.0
178.99965	1.9
215.03532	2.3
227.03485	3.2
229.50043	1.8
239.03564	2.4
243.02917	12.5
253.05109	3.5
254.02174	3.3
255.03062	10.2
256.03818	2.2
269.04465	2.5
271.02490	47.2
272.03006	5.5
283.02551	4.9
297.04147	4.9
299.01978	6.7
300.02777	60.0
301.03513	15.3
326.04349	10.7
327.04855	3.6
361.27664	2.4
390.08221	1.7
475.08871	5.7
517.09912	100.0
518.10199	17.5
527.12177	2.6
543.11462	22.2
544.11993	4.2
681.14606	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	683.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96865	3.3
63.26584	3.5
67.16891	3.6
71.01395	5.1
71.25784	5.7
73.02959	5.2
85.02976	10.4
89.02449	3.7
93.84031	3.3
99.00920	6.0
107.01430	5.4
109.02946	6.5
109.43895	3.2
117.01937	4.6
119.05022	5.0
121.02951	5.7
123.00933	5.0
124.01674	6.0
125.02453	61.1
133.06621	4.7
135.04498	9.1
137.02464	28.4
138.03238	5.2
145.02911	7.1
146.03789	3.9
147.00897	4.2
147.04532	11.3
147.70665	3.2
148.01749	4.7
149.02466	20.4
149.06104	8.5
159.04509	12.1
161.02492	9.9
161.06122	12.2
163.00371	3.4
163.04002	16.7
164.01138	4.9
165.01935	12.3
169.01440	72.6
175.03993	32.9
177.01985	17.1
177.05614	20.7
179.03519	7.2
179.07079	7.7
185.02379	4.2
185.53239	4.0
187.04030	15.2
189.01921	11.2
190.02707	10.5
190.99864	5.3
191.02115	3.9
191.03546	31.2
192.03903	4.1
193.01427	33.7
193.05045	6.3
199.22606	3.6
202.02679	4.4
203.03513	82.4
203.05482	4.5
204.03867	8.1
205.01483	3.3
205.05060	87.1
206.05330	4.4
207.02977	15.2
209.00934	3.6
211.02495	9.0
218.99376	11.8
219.03018	14.2
220.03529	4.3
221.04556	12.5
229.01439	12.4
231.03000	78.1
232.03398	5.1
237.00372	22.3
245.00822	3.8
247.02428	17.9
249.04126	19.5
251.02055	26.1
263.05649	5.6
271.04721	16.6
275.02075	33.8
276.02435	5.6
291.01541	4.6
291.04861	6.4
293.02893	22.5
300.99884	37.8
307.04666	19.1
313.05594	6.8
319.01007	7.3
325.05649	33.4
331.06827	5.2
335.04065	4.0
337.01996	8.5
339.03754	4.2
347.07504	4.0
351.03586	100.0
351.07843	6.0
352.04010	6.1
369.04684	5.4
379.03192	5.9
411.05533	9.3
453.06235	4.6
481.06256	6.4
499.07288	23.5
513.08826	5.9
531.09851	30.9
551.06891	7.8
565.08533	4.4
607.08795	7.6
623.09515	6.8
633.07660	23.1
651.08423	68.1
652.08661	12.6
652.37390	4.9
665.10101	7.6
683.10864	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	683.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57303	1.4
61.29536	1.3
71.01391	2.8
73.02938	2.4
85.02934	2.0
85.89771	1.5
98.22513	4.8
99.00900	4.0
107.01395	2.5
109.02934	3.0
117.01971	1.7
119.05020	3.0
121.06596	1.5
123.00911	2.8
124.01646	1.6
125.02476	13.2
125.32580	1.2
131.04985	2.5
133.06595	1.7
135.04509	2.2
136.98758	2.0
137.02444	9.1
147.04517	6.1
148.01657	2.4
149.02463	6.8
149.06061	2.8
159.04591	8.1
161.02397	2.6
161.06093	4.6
161.53696	1.5
162.03192	3.6
163.03976	6.3
164.01141	2.1
165.01985	3.5
169.01437	14.3
175.04010	18.7
177.01958	7.3
177.05602	9.3
177.74232	1.5
179.03468	1.8
179.07152	4.2
187.04022	3.6
189.01915	4.3
190.02591	4.6
190.99928	1.4
191.03522	22.2
192.00484	3.1
192.04010	1.9
193.01425	13.9
193.05084	5.4
201.01935	2.4
203.03519	51.7
204.03976	3.6
205.01405	4.3
205.05092	28.6
207.03000	5.9
211.02534	2.1
215.31487	1.4
218.99162	1.4
219.03006	12.8
220.03662	2.1
221.04567	13.4
229.01411	5.1
231.00861	2.5
231.03008	34.3
232.03400	1.7
233.00832	1.6
235.02431	2.7
237.00417	4.4
237.03983	1.4
247.02489	25.7
248.02849	2.4
249.04132	9.1
251.01991	8.9
257.00900	6.5
263.01935	1.6
263.05716	3.2
265.03464	5.5
271.04614	1.7
274.99042	2.3
275.01990	18.7
276.02301	1.8
279.01547	4.1
283.57001	1.7
291.01465	2.8
291.05267	2.6
293.03122	8.9
300.99933	6.5
307.04526	7.1
308.04666	1.8
313.05722	1.6
319.00970	2.6
325.05939	2.9
335.04044	2.2
337.02063	3.6
351.03671	12.2
367.06769	2.8
374.56165	1.7
379.03098	1.8
395.06311	3.4
411.05777	2.7
439.05267	5.9
453.06589	3.5
455.08194	4.0
471.07791	13.6
472.08182	1.6
481.05917	1.7
499.07361	66.1
500.07516	5.1
513.08795	9.5
531.09973	100.0
532.10156	14.1
623.09064	1.8
633.07263	3.5
651.08551	10.6
665.10364	2.5
683.10498	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	683.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60008	1.4
60.22192	1.5
71.01383	3.4
82.51682	2.2
85.02948	1.9
94.15355	1.7
97.02966	2.3
98.21821	4.4
99.00899	5.3
109.02950	2.5
110.73738	1.9
117.01936	2.4
119.05022	2.0
123.00892	4.0
125.02454	21.2
133.03000	1.8
135.04550	1.9
135.93300	2.0
137.02469	9.5
147.00893	3.2
147.04529	6.8
148.01639	3.4
149.02396	8.5
149.06042	2.7
155.03479	1.7
159.04524	9.6
161.02452	2.6
161.06102	2.7
162.03235	1.9
163.00362	3.8
163.04030	7.5
164.01195	3.2
165.01901	5.3
167.03470	2.4
169.01430	19.3
173.02402	1.8
175.00432	2.3
175.04010	24.5
177.01987	11.2
177.05531	10.4
179.03539	2.6
179.07176	2.4
185.02579	2.2
187.03993	7.5
189.01900	7.7
190.02724	6.0
190.99840	5.1
191.03513	24.4
192.00616	5.4
192.04100	1.8
193.01427	18.7
193.05049	5.1
195.02934	1.9
201.01877	3.0
203.03510	74.3
204.04007	5.4
205.01408	4.5
205.05106	27.0
206.05356	2.8
207.02980	10.2
209.00894	1.9
211.02486	5.0
213.01964	2.7
217.01343	1.8
217.47841	1.6
218.99332	4.6
219.02925	16.0
219.06494	1.7
220.03552	2.9
221.04587	11.2
229.01396	7.6
230.02029	2.1
231.02995	51.7
232.03345	3.9
235.02536	3.8
235.06190	2.0
237.00467	4.7
237.03893	1.9
245.56660	1.8
247.02480	29.5
248.02829	2.4
249.03992	9.5
251.01970	16.0
257.00977	4.1
263.05603	4.6
265.03519	7.4
265.06076	2.3
271.04633	2.5
275.02036	22.0
279.01511	2.4
291.01410	5.1
291.04871	3.9
293.03036	10.2
295.04474	2.3
300.99866	10.8
307.04651	11.9
313.05701	2.5
319.00937	4.6
325.05539	4.4
335.04190	3.8
337.02060	2.4
339.03546	3.5
351.03595	55.5
352.03946	4.0
367.06836	2.9
379.03229	4.8
395.06131	3.9
411.05145	2.0
439.05185	6.7
453.06766	5.6
455.08292	3.8
471.07803	16.8
499.07346	79.3
500.07672	9.3
513.08936	14.5
514.09143	2.3
531.09985	100.0
532.10327	16.2
633.07086	5.2
651.08423	9.7
665.10443	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	683.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35466	5.6
57.03443	11.9
58.62161	5.4
70.83582	7.2
70.83895	11.2
72.67209	6.1
77.14189	6.0
88.98814	24.5
93.03481	8.3
109.02946	22.6
109.18115	6.2
123.04535	15.6
125.02465	100.0
132.23584	6.7
137.02473	21.6
137.84123	6.6
147.90628	6.5
149.02455	10.9
151.04028	18.1
163.90306	5.7
165.01938	8.5
169.01447	21.1
175.03986	17.8
177.01944	81.5
178.02312	6.6
179.03592	7.7
187.03967	7.4
203.07167	7.7
205.05119	10.3
243.03185	6.7
245.08221	18.5
255.03056	14.4
256.03513	7.6
281.04761	6.9
285.04031	9.6
289.07224	52.0
303.05072	10.6
315.05060	8.6
337.02536	10.6
407.07800	64.1
425.08911	92.3
467.10272	14.1
593.12866	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	0.4
65.00336	0.8
67.20535	0.4
69.62531	0.7
69.62942	1.7
98.21861	0.4
100.73479	0.4
107.01411	0.8
108.02197	1.3
115.44715	0.4
119.01471	0.5
121.02965	1.3
125.02425	0.6
135.00888	0.5
148.01657	1.1
149.02463	4.2
150.03175	0.7
151.00365	3.0
163.00395	0.4
164.01129	0.6
164.04842	2.0
167.39420	0.4
175.00426	1.2
176.01135	1.2
185.84259	0.4
187.04106	0.4
190.02713	2.4
191.03503	1.4
198.03255	0.4
199.04082	1.1
205.05099	1.2
209.04665	0.4
215.03549	1.2
223.06091	0.9
226.02768	1.1
227.03499	2.3
242.02205	0.4
243.00693	0.7
243.03004	8.8
244.03468	0.9
254.02293	2.4
255.02997	18.3
256.03348	1.5
271.02512	51.3
272.02933	5.4
285.04095	0.5
298.98511	0.7
299.01999	18.8
300.02780	100.0
301.03162	9.6
313.03690	0.5
314.04471	2.1
315.05130	98.9
316.05435	10.1
329.06650	3.5
345.06323	0.6
353.08774	4.8
459.09418	1.7
477.10410	13.4
478.10831	1.7
491.12418	0.6
668.13733	2.1
683.16180	26.4
684.16547	6.1
704.59027	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	683.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13099	0.7
57.03451	6.7
57.47715	0.8
62.52585	0.6
69.34552	2.7
69.34955	2.0
73.02948	3.2
78.17627	0.7
81.07085	1.0
85.06620	1.8
97.06635	1.2
99.08169	24.1
101.06122	1.5
113.06113	7.6
115.07661	100.0
116.08009	2.7
117.03494	1.3
125.02467	2.5
125.06154	0.9
129.05592	1.4
134.03749	31.7
137.02460	3.1
139.03984	0.9
143.07155	22.4
144.07408	0.7
149.06082	8.1
156.76703	0.8
159.06625	11.0
169.01454	1.4
178.02739	15.5
187.06148	1.3
193.05070	98.2
194.05409	6.3
367.36670	0.7
368.20724	0.7
381.11884	8.7
382.12186	2.0
383.98721	0.7
464.19141	0.8
508.72073	0.8
699.47205	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	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05251	9.5
70.46281	23.9
91.79496	11.2
95.29216	12.3
97.06607	20.4
117.05974	11.0
125.09731	69.9
130.53592	8.5
149.04938	11.2
173.63029	9.8
186.04712	12.0
187.09766	27.4
277.21774	36.0
286.89099	12.1
340.73062	11.7
343.78033	11.7
345.69479	12.1
544.66125	11.7
558.17548	12.1
683.39886	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	683.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22947	13.1
62.06890	11.8
64.78801	13.1
71.25326	11.7
71.25710	14.7
80.26630	12.8
92.91574	14.4
102.42357	15.5
123.08193	17.8
125.09743	97.5
143.91887	13.8
187.09732	78.5
423.18384	16.4
431.92566	15.7
683.40234	100.0
684.40460	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07110	4.0
56.47433	4.3
69.81757	4.6
71.26244	6.4
71.26611	6.5
78.95928	6.7
161.02469	9.0
211.13405	100.0
212.13715	8.7
447.22189	6.8
516.66974	4.9
685.32642	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	684.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41977	0.6
57.22793	0.7
60.36998	0.8
71.01385	1.2
81.86232	0.9
88.80728	0.8
89.02470	1.2
97.89311	0.7
98.22139	5.7
101.02450	1.7
102.36102	0.8
113.02450	1.3
183.13910	5.3
193.12317	1.5
211.13402	100.0
212.13774	6.2
215.75554	1.0
235.08243	1.8
253.09187	4.8
253.78902	0.8
259.40506	0.8
407.79022	0.9
429.21207	1.3
447.22299	7.8
585.84607	0.8
623.34601	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	685.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29530	24.4
69.29936	8.0
85.02952	5.8
95.01393	14.1
102.95638	4.7
111.11501	4.1
117.03431	4.5
117.72286	4.8
123.00913	23.2
125.02447	13.3
137.02446	6.9
145.03047	7.7
147.04538	5.3
161.02423	6.8
165.01978	5.2
166.99890	12.2
169.01433	11.9
173.02451	10.9
177.01944	6.4
184.47345	4.9
191.03526	16.2
201.02010	15.7
203.03496	11.0
209.00851	5.5
217.01393	7.8
219.03044	12.5
229.01453	22.8
231.02945	10.4
245.00900	9.8
247.02464	26.7
250.16325	4.9
264.00519	4.8
273.00424	18.4
275.01938	7.4
298.98260	6.0
301.00064	10.7
384.66397	4.9
434.06058	5.3
511.41681	4.9
517.49097	5.1
528.18542	4.8
603.06622	11.0
613.04761	100.0
614.05023	13.5
631.05890	44.6
646.51086	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	685.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40416	14.0
69.40820	55.1
77.35191	8.9
85.02962	21.3
95.01407	13.3
98.21802	12.2
123.00897	39.5
125.02415	24.2
166.99846	19.2
169.01424	28.1
175.03949	16.3
191.01950	12.6
191.03514	27.5
201.01889	15.6
203.03590	18.0
204.53690	10.0
217.01344	20.5
229.01462	23.7
245.00981	14.3
247.02454	42.9
273.00458	21.7
298.98303	18.7
300.99951	22.9
418.38461	10.2
613.04956	100.0
614.04852	20.4
631.05811	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
59.01382	8.5
69.03466	0.9
71.01389	11.4
71.25156	1.0
72.99319	2.5
73.02950	0.9
73.88821	0.7
75.00884	8.9
76.43103	0.7
85.02962	15.4
87.00879	4.1
89.02469	2.6
95.01406	3.1
99.00888	5.4
103.00402	2.2
113.02458	14.3
113.06094	17.6
114.02777	1.0
114.06481	1.0
115.00352	1.2
117.01975	2.4
129.01949	1.3
169.01395	0.9
175.02536	1.7
179.79007	0.7
231.05150	1.1
249.06197	12.9
267.07224	25.6
268.07535	2.2
303.00510	1.1
363.12994	100.0
364.13309	12.0
706.88354	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	685.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15998	1.0
54.16310	0.9
55.59516	1.1
57.03439	2.7
57.95677	1.0
61.98823	1.2
65.03965	8.7
67.01881	5.0
69.03448	2.1
70.59202	2.4
70.59576	1.7
78.95911	1.2
81.03454	2.7
83.01379	3.0
83.05032	3.8
91.05548	2.6
93.03451	5.4
95.05042	3.7
107.05035	27.6
109.02969	3.8
125.02454	13.6
128.33960	1.1
133.02965	15.3
133.06613	8.6
134.03734	2.4
135.04535	22.6
137.02493	1.8
151.04018	100.0
152.04352	4.1
161.02452	70.9
161.06152	1.5
162.02768	2.5
169.01372	1.3
171.46567	1.1
177.05580	66.4
178.05962	3.1
179.03490	7.9
205.05058	10.8
211.13338	1.1
221.19200	1.2
299.22232	4.6
325.23889	2.8
353.23386	2.2
361.23657	1.6
411.32425	1.0
425.27081	1.2
443.24377	1.3
461.25592	3.8
467.59863	1.1
487.26904	3.3
489.25092	4.3
515.26404	9.9
516.27295	1.9
523.29230	8.3
533.27637	7.4
534.27997	1.4
541.28229	3.4
559.29352	1.9
623.32062	1.2
641.33746	1.6
649.30182	13.5
650.31134	2.3
667.31256	12.2
668.31647	3.7
685.32300	52.8
686.32733	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	685.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
59.86483	1.2
61.98807	1.3
65.03971	16.1
67.01883	3.9
68.99580	2.0
69.03455	2.1
79.05535	1.8
83.01384	3.5
83.05028	5.9
91.05549	3.0
93.03474	7.6
95.05020	2.5
98.21809	2.8
107.05038	43.2
109.02950	4.1
109.06581	1.4
117.03476	1.1
119.05002	2.8
125.02459	8.7
133.02974	15.1
133.06618	9.6
134.03699	3.7
135.04541	24.8
137.02458	2.2
137.06090	1.6
142.91237	1.2
151.04021	100.0
152.04362	2.9
161.02463	76.2
161.62379	1.3
162.02827	3.4
177.05574	64.0
178.05945	2.2
179.03526	10.5
205.05089	13.2
221.19145	2.4
223.06165	2.0
228.71112	1.3
299.22354	5.3
325.23590	1.7
353.23447	4.1
372.97565	1.5
461.25391	4.7
487.27176	3.3
489.24969	5.3
515.26471	9.4
516.26923	1.6
523.29120	11.4
524.28613	2.2
533.27765	7.0
641.32904	2.3
649.30237	10.9
650.30176	2.1
667.31140	13.9
668.31757	3.2
685.32306	74.0
686.32605	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	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13276	0.5
59.01379	1.4
70.31432	1.9
73.18092	0.5
78.66028	0.6
85.02972	0.5
92.88181	0.6
92.97108	0.6
97.06613	1.1
98.21819	0.6
99.04493	0.6
111.04534	0.7
113.02497	0.6
123.08166	1.8
127.27093	0.7
132.02197	0.9
134.03755	0.6
135.04559	1.4
136.05327	0.7
148.05318	2.0
149.06119	1.6
150.06877	34.9
151.07289	1.4
160.01630	3.6
161.09781	1.0
162.06874	0.6
163.04022	1.4
163.07629	6.8
164.04781	0.8
164.08440	6.3
175.04015	4.8
177.09308	0.6
178.05049	1.1
178.10039	1.3
179.10780	18.9
180.11157	1.6
190.05077	0.8
192.04196	1.0
207.06718	1.5
213.85779	0.5
219.06648	0.7
229.10684	0.9
229.57414	0.6
237.07642	0.8
240.04289	1.1
240.76294	0.6
256.06879	0.6
298.08472	1.5
312.00223	0.6
312.12421	6.4
313.10934	1.6
320.19989	1.3
335.22305	1.5
341.23282	1.0
343.11954	3.7
343.21030	3.6
364.22684	2.2
373.12976	1.5
441.29987	0.9
453.42114	0.6
459.31564	0.8
462.30170	2.4
476.31693	0.7
477.32242	6.0
478.32645	1.4
504.31009	1.1
505.31943	2.6
522.32111	2.5
523.32831	24.1
524.33160	4.2
685.38086	100.0
686.38354	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16356	0.4
57.03436	0.5
59.01379	0.7
61.98836	100.0
71.01382	0.5
79.80131	0.4
85.02953	0.7
87.00903	1.1
87.16991	0.5
89.02448	0.4
95.01414	0.4
99.04520	0.7
107.01447	0.4
111.18380	0.4
113.02482	0.5
125.02521	0.7
135.04604	0.6
137.09749	0.6
149.06090	1.0
150.06880	20.4
151.07301	0.9
161.02390	0.4
161.09770	0.8
163.00407	1.5
163.07625	3.5
164.08455	4.4
165.09000	0.5
169.43094	0.4
178.10008	1.1
179.10786	11.3
180.11160	0.5
209.11850	0.4
213.02101	0.5
218.99399	0.5
223.00127	1.0
229.01447	0.7
245.00801	0.4
257.01013	1.0
262.82422	0.4
275.02127	1.4
278.99216	1.7
279.99451	0.5
294.98593	3.0
295.98990	0.6
300.99911	2.0
306.07776	0.4
306.18411	0.6
312.99744	1.2
321.20914	0.6
343.21329	2.9
349.34042	0.6
460.17639	0.7
462.30072	1.5
477.32126	4.2
478.32718	0.9
504.31247	0.6
505.31848	1.5
522.32190	1.1
523.32782	14.4
523.40363	0.9
524.33185	2.5
526.06213	0.4
585.12677	1.1
593.86273	0.4
603.13580	0.8
607.10620	1.2
623.23999	3.8
685.38110	55.4
686.38452	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	686.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06511	1.1
57.03434	1.6
58.25216	1.4
59.00908	1.2
61.98837	41.9
71.26981	1.3
93.61944	1.1
95.02201	1.2
101.74026	1.1
116.92793	1.3
117.03529	1.5
119.05074	3.1
125.02486	5.2
135.04524	4.5
137.02419	2.8
145.02946	4.1
148.01758	2.0
148.05313	4.3
150.03218	1.5
150.06862	6.8
155.06070	1.1
163.04008	2.5
163.07680	2.5
167.03606	1.5
169.01430	5.3
173.08214	3.5
178.05112	4.3
179.10825	4.9
195.06570	1.3
227.03403	2.1
240.04205	2.9
241.05066	1.7
243.03047	6.6
254.02274	1.8
255.03049	12.2
255.06557	3.4
270.08926	1.8
271.02515	39.4
272.02954	4.1
299.01944	11.8
300.02783	100.0
301.03088	9.7
301.10730	1.6
312.12524	14.3
315.05148	82.4
316.05524	8.4
366.13431	3.0
476.17154	2.0
477.10471	11.9
478.10947	1.5
523.33038	2.2
524.33136	1.6
623.14117	60.8
624.14355	14.9
685.38318	9.4
686.38513	9.7
687.39661	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	686.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87940	0.2
61.98835	100.0
71.01372	0.2
82.95436	0.6
97.37949	0.2
101.02432	0.3
125.02477	0.5
134.14882	0.3
135.04567	0.5
150.06873	2.6
151.07318	0.4
163.07684	0.4
164.08417	0.5
169.01427	0.4
171.10301	0.3
179.03632	0.2
179.10823	1.4
180.11177	0.3
188.28989	0.2
201.01918	0.2
209.11903	0.7
225.11426	0.5
228.68790	0.2
257.00909	0.3
258.01303	0.3
275.02194	0.3
294.98615	0.3
301.00177	0.4
440.13150	0.2
444.14719	0.4
445.15433	0.3
460.17929	0.5
478.32849	0.4
523.32465	1.2
524.33197	1.4
525.33759	0.4
586.12732	0.3
623.24005	3.3
624.24524	1.0
685.37854	2.1
686.26813	0.3
686.38483	6.3
686.49719	0.4
687.39703	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	686.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
61.98837	100.0
62.84440	0.2
66.92286	0.2
71.01394	0.2
72.87801	0.2
73.35603	0.2
98.22176	1.4
125.02509	0.3
163.11362	0.2
169.01471	0.3
171.10356	0.4
197.11862	1.2
199.13309	0.2
209.11903	1.0
225.11391	0.2
227.13000	0.9
239.12733	0.2
241.14532	0.5
297.11230	0.3
460.17615	0.3
623.24402	0.7
686.31360	0.6
687.32556	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	686.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.9
61.98822	7.3
70.89819	5.5
90.42080	2.6
93.03452	3.2
108.02186	3.9
109.02947	11.0
121.02978	4.5
122.03740	7.9
122.78012	2.5
123.04539	3.2
125.02427	19.0
126.02784	3.2
134.03647	3.4
135.04559	6.7
145.03061	2.7
148.05295	2.6
149.02490	11.9
149.03476	2.3
150.03250	43.9
151.03862	2.6
153.01923	2.5
159.04524	3.2
161.02382	2.6
162.03261	2.2
165.05586	32.3
169.01448	23.1
170.01819	3.7
179.03523	7.9
181.05025	2.9
195.06659	12.0
202.05121	7.2
214.05081	17.9
216.06523	4.7
230.95241	2.7
266.05835	4.2
267.06573	6.3
281.08231	5.3
283.09805	2.9
297.07593	2.4
312.09933	10.0
322.07156	9.8
322.10867	11.8
327.12241	9.3
332.07190	2.8
335.11835	3.3
336.12424	27.5
350.14032	4.1
392.48849	2.4
429.11945	5.6
444.14554	50.5
445.14923	11.8
458.16370	3.7
460.17667	100.0
461.18060	17.7
490.18774	75.1
491.18912	15.5
510.08484	2.8
608.22998	19.2
609.23627	4.7
623.17267	2.6
638.24139	3.4
656.24841	4.1
686.17487	4.3
687.39203	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	686.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89753	1.0
57.03446	1.0
59.01384	1.1
61.98838	51.5
71.27962	1.5
81.81542	0.8
87.00902	1.9
88.16012	0.8
93.03456	1.7
102.60281	0.8
104.34611	1.0
109.02972	1.1
111.52494	0.8
119.05068	1.2
121.02972	4.0
122.03780	4.3
123.04571	1.3
125.02487	2.3
131.38565	0.8
134.03743	1.6
135.04556	2.1
136.01682	1.8
145.02950	1.5
147.04494	2.0
148.05292	2.3
149.02441	10.9
149.06062	3.0
150.02017	1.5
150.03247	33.7
150.06885	34.8
151.03830	2.9
151.07201	10.6
159.04478	1.5
161.06056	1.1
162.06873	2.0
163.03995	1.1
163.07709	7.0
164.04832	2.0
164.08446	7.7
165.05591	23.3
165.08713	1.7
166.05943	1.4
169.01465	0.9
176.08440	2.4
178.05106	2.0
178.09915	2.0
179.10797	15.1
180.11212	6.7
195.06621	9.9
226.43059	0.9
239.07242	1.4
251.03569	1.0
251.07080	2.1
265.08646	1.4
267.06683	3.0
268.07501	1.2
277.08554	0.9
278.18784	0.9
279.06747	2.1
279.10248	1.5
280.07446	1.5
281.08289	2.7
282.08884	2.9
283.09729	2.5
293.08340	2.4
296.10565	1.5
297.11359	3.8
298.08521	1.4
306.18240	1.4
312.12488	7.3
343.11938	2.5
343.21408	2.9
344.21683	3.3
430.13242	3.9
431.14343	1.2
442.13022	9.2
443.14044	2.0
444.15567	5.7
445.15656	5.1
446.15820	1.2
457.15399	8.4
458.15958	2.2
459.16953	2.4
460.17749	14.3
461.17923	2.5
463.30264	1.3
470.16153	1.2
472.17697	26.9
473.18152	5.0
475.17828	0.9
477.32138	3.2
478.32541	6.9
486.15506	1.5
490.18866	1.4
491.19266	1.5
505.31467	1.7
506.32376	1.8
523.32568	9.6
524.33136	24.1
525.33795	3.1
526.18939	1.7
544.19696	1.0
568.98639	1.0
608.22809	13.3
609.23413	2.4
620.23120	12.4
621.23315	3.1
623.23639	1.1
632.22729	1.8
638.24084	25.4
639.24457	5.3
650.23810	2.0
656.25153	1.4
668.25403	7.1
669.25610	2.3
685.38184	10.3
686.38385	100.0
687.03448	1.1
687.26892	1.9
687.38715	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	687.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86960	1.1
55.01875	2.2
57.03215	1.3
57.03451	14.2
59.01380	6.8
59.26711	1.2
68.20087	1.2
70.63664	2.8
71.01367	3.6
71.32092	1.1
83.01372	2.0
84.02178	1.8
85.02957	100.0
86.03288	3.3
89.02424	1.4
97.70779	1.3
101.02438	1.2
103.00354	2.8
115.00381	1.0
119.05041	3.9
125.02438	1.2
129.01947	5.2
133.01503	1.4
147.03014	13.5
163.04045	5.3
169.01408	3.1
191.01996	54.3
192.02235	1.5
209.03035	35.3
313.25262	1.3
331.06717	4.6
337.05090	1.3
339.42416	1.5
355.06647	20.3
356.07065	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	687.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60653	2.0
55.01904	1.9
55.16062	1.8
57.03455	15.2
59.01386	4.7
61.49876	1.7
71.01393	3.7
71.27460	2.6
84.02176	2.5
85.02962	100.0
87.00849	2.2
119.05014	3.9
125.02472	5.2
129.01967	6.9
147.03006	11.5
163.03920	4.2
169.01434	4.6
173.12721	2.1
191.02008	48.1
192.02386	3.4
209.03062	32.8
215.59952	1.8
230.01279	3.5
354.57544	2.0
355.06711	17.0
690.40747	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	687.1934
Annotation	CHEBI:131773
Peak:m/z	Relative Intensity
54.98739	0.7
59.01393	1.9
61.98808	1.0
67.01891	1.0
69.03448	0.9
71.01389	3.6
71.58924	0.8
78.95900	5.2
79.01924	1.2
80.61229	0.8
83.01377	0.9
85.02972	1.0
89.02440	1.0
91.23526	0.7
95.01390	1.9
96.95972	0.9
96.96978	3.2
97.02957	1.7
101.02493	1.7
107.01405	9.8
109.02956	2.4
111.00898	2.4
113.02444	1.3
121.02954	1.0
122.03724	1.5
123.00906	11.3
123.04536	0.9
124.01700	1.6
125.02462	53.7
126.02806	2.2
136.98831	1.6
137.02461	1.5
139.00381	3.9
139.04018	1.4
140.01176	3.5
141.01949	1.8
147.04556	3.4
149.02490	1.0
150.03250	2.6
151.00404	6.7
151.04021	1.9
152.01088	0.7
153.01903	1.5
159.04565	2.7
160.05334	7.4
161.06126	3.1
163.04079	1.9
164.04823	2.2
165.05576	1.7
166.99835	1.0
167.03563	0.9
168.00656	4.7
169.01443	63.2
170.01814	3.0
175.04082	0.8
175.07697	5.5
177.05643	1.0
178.06377	0.7
183.03027	3.3
211.00104	0.8
211.02496	2.0
241.03526	1.8
251.37822	0.9
253.03456	0.9
268.07449	0.8
271.04752	1.0
280.15607	0.7
283.09885	1.2
284.10464	1.6
297.06171	1.1
299.12949	0.8
300.02762	1.3
313.05682	14.0
314.05835	1.6
329.13904	8.0
330.14444	1.1
355.11707	1.2
363.18207	2.1
370.52078	1.0
373.12839	0.8
420.20648	0.8
483.50092	0.9
535.18231	3.4
639.17334	1.0
643.20612	4.8
669.18048	3.0
687.19336	100.0
688.19720	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.01394	5.6
61.98822	4.3
65.58195	1.1
69.03456	3.8
71.01391	5.9
71.05006	2.5
80.02685	1.5
80.39191	1.1
81.03467	1.3
83.05021	4.6
84.02164	1.0
85.02937	1.6
87.00887	1.7
88.01469	1.1
89.02435	2.7
95.01423	1.1
95.99934	1.2
97.02962	2.3
97.06621	2.3
98.22550	1.9
99.00897	5.2
101.02455	7.3
113.02465	2.3
125.02475	1.2
125.09746	5.0
149.09729	1.1
149.49007	1.0
151.11319	2.4
153.12918	1.8
161.04579	1.4
161.09747	4.3
161.98163	1.0
163.11333	7.3
165.12889	2.3
169.01456	1.6
171.10287	5.1
177.49431	1.1
179.10818	7.9
181.12411	5.5
191.10794	1.7
195.10413	1.1
197.09962	1.7
197.11853	51.8
198.12218	4.8
199.13385	3.2
207.10278	10.1
209.11852	53.4
210.12160	3.1
220.85143	1.1
223.09756	2.4
225.11334	13.2
226.11790	1.3
227.12833	7.2
241.10872	4.7
241.14513	1.5
243.12408	4.2
253.09354	4.0
459.18973	1.4
461.20261	2.4
477.19797	2.7
479.21423	2.0
669.30994	2.4
687.32361	100.0
688.32666	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	17.2
61.98832	0.9
64.46445	0.9
65.03963	3.6
67.01902	2.6
69.03458	8.2
70.78204	0.9
70.78518	1.3
71.01389	3.1
78.95926	1.3
81.03464	31.4
82.03812	0.7
82.86661	0.8
83.01409	2.4
83.05053	3.1
85.07059	0.8
91.05569	1.2
93.03463	4.1
95.05032	7.6
97.02971	3.9
99.66930	0.9
107.05045	10.3
109.02992	1.0
111.22242	0.8
121.03000	1.8
125.02461	100.0
126.02771	3.8
133.02975	18.1
133.06610	4.8
134.03787	8.7
135.04539	53.7
136.04865	2.2
137.02477	6.6
137.06071	1.1
139.04088	2.0
151.04022	38.6
152.04375	1.5
161.02460	51.0
162.02829	1.9
165.01836	1.1
169.01424	1.2
173.98251	0.9
177.05588	28.4
178.02777	2.8
178.05939	1.8
179.03516	27.6
180.03888	1.3
205.05106	3.9
218.07756	1.0
221.96309	0.8
241.07166	2.7
311.22223	1.9
319.22974	1.3
337.23734	4.0
363.25562	3.0
429.22824	8.0
445.25983	45.4
446.26346	8.1
471.27588	13.7
472.28027	2.5
473.25488	19.2
474.25732	4.1
497.29309	2.9
499.27136	22.2
500.27765	4.3
507.27469	7.5
517.28027	12.4
518.28278	3.1
523.30725	2.9
524.31238	1.1
525.28619	39.4
526.28998	7.8
543.29681	19.1
544.30194	4.6
549.28149	2.1
561.30719	25.9
562.31250	4.3
577.36261	1.1
589.31738	3.2
607.32983	3.9
620.87933	0.9
625.33936	2.4
626.34167	0.9
633.30670	5.4
634.31152	1.6
643.34772	2.1
651.31573	5.4
664.91406	0.9
669.32953	5.1
687.33978	13.3
688.33911	2.3
696.28314	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	687.3966
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
59.01389	1.2
59.92194	0.7
63.76712	0.7
69.20469	5.8
73.20993	0.6
79.30727	0.8
85.02974	1.3
87.00893	0.7
87.94135	0.6
99.04517	1.1
109.02957	1.0
113.02481	0.7
116.92875	0.9
125.02437	6.9
132.31216	0.7
135.08200	1.5
149.06111	4.3
149.09726	0.7
150.06874	40.8
151.04021	0.7
151.07317	2.5
161.09735	0.8
162.06891	1.2
163.07666	7.6
164.08423	7.6
169.01440	4.3
177.09261	0.9
178.09975	2.6
179.10796	18.7
180.11218	1.1
209.00803	1.0
247.02443	1.7
302.66956	0.7
315.05249	1.5
335.10446	0.7
343.24826	1.4
345.22852	4.1
439.32025	0.8
462.33115	0.9
464.31522	7.6
465.31827	0.8
478.32672	0.8
479.33942	8.5
480.34244	1.0
506.32089	1.3
507.33264	4.3
524.33459	3.3
525.34351	26.4
526.34637	4.7
624.14667	0.8
655.82513	0.7
687.39661	100.0
688.39960	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	689.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21799	1.4
63.02393	2.6
65.00317	4.0
68.76657	1.6
69.60991	2.9
69.61397	6.4
82.27960	1.7
83.01395	2.2
84.98547	1.5
107.01426	9.6
108.37235	1.5
109.02921	2.1
121.02956	8.7
125.02486	1.6
128.06458	1.6
146.78511	1.6
151.00380	36.8
152.82368	1.5
163.00391	3.9
169.01486	3.8
178.99866	16.6
180.55719	1.6
209.11855	6.2
229.04990	2.1
245.04462	1.9
253.99773	1.9
255.03001	2.8
273.04114	3.0
291.19174	1.6
300.02551	1.8
301.03549	100.0
302.03903	8.6
360.76526	1.7
401.76593	1.7
599.10541	22.6
600.10907	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	689.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
61.32524	1.1
62.63610	1.0
69.44170	4.2
69.44591	3.1
72.99318	16.5
73.02941	2.0
81.07059	1.5
83.39791	1.0
98.06941	1.0
99.08165	7.8
107.01385	1.6
113.06105	4.1
115.07663	52.1
116.08009	1.8
123.00874	1.8
125.02463	19.7
125.06103	1.3
129.05597	28.1
130.05937	1.1
133.56755	1.0
139.00400	1.3
143.07143	17.4
151.00359	1.6
159.06615	2.7
161.08215	1.4
165.01755	1.6
168.00624	4.5
169.01450	33.8
178.61685	1.2
193.01390	6.3
193.38712	1.1
205.07188	100.0
206.07538	5.8
211.02496	21.1
223.02716	1.1
257.38425	1.2
271.04614	12.0
307.81754	1.1
313.05685	4.9
331.06595	2.1
371.68140	1.2
483.07867	71.2
484.07852	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	689.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98707	0.3
59.01356	1.1
66.77071	0.3
69.16386	2.0
71.01361	0.3
95.01370	0.8
98.22411	0.8
103.89390	0.3
107.01405	0.4
109.02930	0.3
117.03440	0.4
119.04971	0.3
123.00896	1.2
125.02482	1.2
127.33605	0.2
129.03448	0.3
133.02901	0.3
136.03096	0.2
139.00298	0.3
145.02953	1.0
147.04579	0.3
157.02950	0.5
161.02531	0.4
169.01465	1.7
170.01820	0.4
173.02467	1.5
175.04079	0.5
177.01999	0.2
185.02464	2.2
186.02824	0.3
189.01912	0.7
191.03517	0.3
200.00911	0.3
201.01961	2.4
202.02328	0.3
203.03499	0.6
209.00974	0.3
213.01878	0.5
217.01459	0.7
219.02876	0.3
226.99847	0.4
228.00667	0.3
229.01437	4.2
245.00984	1.9
247.02435	0.5
257.00891	2.1
258.01361	0.4
273.00406	0.6
274.01157	0.5
275.02078	3.1
276.02332	0.3
283.99677	2.1
285.00217	0.3
299.99097	2.4
300.99924	100.0
302.00259	9.2
387.16812	0.3
653.20654	0.3
689.17273	14.8
690.17889	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	689.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67900	2.2
57.03472	2.9
64.50449	2.7
69.12016	20.8
69.12415	4.7
71.01370	6.8
82.95427	13.3
95.61788	2.9
96.96030	3.9
98.22516	5.8
107.01406	11.7
109.02969	5.6
121.03012	3.2
123.00916	12.0
124.01643	3.8
125.02465	89.0
126.02817	5.0
136.01697	5.7
137.02484	7.2
139.00365	4.6
140.01184	4.0
151.00398	10.7
151.04012	13.2
159.04494	3.0
161.02458	3.5
168.00679	9.7
169.01456	91.3
170.01787	7.5
183.03105	6.1
184.20131	2.9
211.02545	3.0
267.06656	9.9
271.04718	10.0
282.09174	5.7
297.11407	5.9
313.05719	28.0
605.11273	11.7
659.19971	14.0
689.20978	100.0
690.21356	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	74.5
71.01382	51.8
98.22461	20.0
115.05759	19.8
116.24257	20.1
128.35785	24.1
131.44173	22.6
148.61185	20.4
171.10309	37.2
172.88194	19.2
209.11920	100.0
211.13454	92.6
212.13736	29.6
223.13312	32.5
225.11411	24.0
608.21057	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.0
61.98838	6.5
68.96765	9.4
68.97186	3.6
71.01387	11.0
71.05012	3.5
73.02949	1.5
75.05977	1.1
80.02670	2.1
81.03464	1.4
81.84964	1.1
83.05033	6.7
84.02142	1.9
85.02957	3.7
87.00894	2.0
89.02445	4.9
95.05023	3.3
97.02971	4.0
97.06596	3.5
98.21784	1.8
99.00887	22.2
101.02438	6.0
109.06609	3.5
110.03751	1.4
113.02449	3.2
123.08151	2.1
125.02440	2.1
125.09744	9.3
135.08157	2.2
142.02754	2.2
157.40207	1.4
163.11299	18.6
165.12840	2.6
171.10283	38.1
172.10628	2.4
181.12364	21.5
185.11861	1.6
189.09109	1.6
197.11829	2.3
199.13437	15.7
201.11327	6.6
207.10286	28.5
208.10602	1.6
209.11848	95.1
210.12138	7.2
225.11342	53.2
226.11711	5.1
227.12892	11.6
235.08249	5.1
243.12363	23.8
253.09314	8.5
291.19708	1.2
300.99933	1.2
443.19806	2.1
461.20328	7.4
479.21365	11.3
534.18591	1.7
554.02576	1.3
624.75061	1.4
671.32458	7.4
689.33948	100.0
690.34332	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.8
59.01371	7.5
61.98835	3.2
67.29913	1.7
69.16838	2.1
69.25943	10.0
69.26357	3.3
71.01389	40.6
73.02973	3.5
74.76891	1.6
83.05022	5.1
83.69250	1.8
85.02946	2.6
87.00894	3.7
89.02460	4.5
98.21851	3.1
99.00900	2.5
101.02451	4.3
109.06615	5.6
113.02483	3.8
125.02457	2.2
125.09782	2.6
127.11297	1.7
127.30853	1.7
135.08209	2.2
161.04646	3.7
163.11256	8.7
165.12881	2.7
171.10286	41.2
172.10718	2.3
181.12332	4.1
184.53230	1.6
185.11806	2.2
197.11813	9.5
199.13448	4.2
201.11346	17.5
207.10287	17.6
209.11848	100.0
210.12215	7.5
211.13435	5.3
215.12770	2.3
225.11353	25.6
227.12898	15.5
234.68129	1.7
235.08241	3.7
243.12369	3.4
251.12863	1.8
253.09290	13.8
301.03662	1.9
461.20505	4.8
544.25513	1.8
671.33270	3.2
689.33325	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	689.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18821	9.5
57.97583	10.5
59.01394	20.2
61.98842	97.7
71.01398	18.2
76.25559	10.3
89.02488	12.2
101.02435	14.6
113.02486	11.4
223.50450	8.8
254.96112	9.3
255.23282	45.5
397.13550	100.0
406.66461	9.1
415.14587	35.6
615.09467	11.7
653.37213	17.2
689.35144	78.6
690.34412	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	689.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90726	1.0
57.03448	21.3
60.08808	1.3
61.98824	4.6
63.66927	1.2
64.05655	1.1
65.03962	5.5
67.01884	2.7
69.03454	6.4
70.47949	3.7
71.01393	2.2
78.95907	2.5
81.03461	28.6
83.01383	2.3
83.05025	2.1
93.03477	3.8
95.05030	7.9
96.95947	1.3
97.02959	4.6
98.22437	1.2
107.05040	11.8
109.02956	2.0
109.06573	1.3
116.92872	6.4
121.02996	1.4
125.02457	100.0
126.02808	2.6
133.02963	16.6
133.06606	4.1
134.03764	10.2
135.04543	47.9
136.04869	2.2
137.02448	6.7
139.04063	3.2
151.04019	36.4
152.04364	1.6
161.02455	48.4
161.06058	1.5
162.02756	1.5
165.02109	1.1
169.01401	1.6
177.05574	28.4
178.02785	3.2
178.05864	1.4
179.03497	25.7
180.03865	2.0
205.05116	4.2
209.11841	9.1
211.13368	9.2
227.12939	1.4
241.07175	3.1
244.85695	1.3
258.88208	1.2
321.24237	1.6
339.25391	4.2
364.26614	1.2
365.27176	4.8
431.24249	8.1
432.23996	1.5
447.27536	43.5
448.27811	6.5
473.28934	12.1
474.29324	2.0
475.27097	18.3
476.27283	1.8
499.30606	4.8
501.28604	21.5
502.28934	4.2
509.29355	6.0
519.29675	11.3
520.30627	1.9
525.32367	1.9
527.30194	34.2
528.30670	5.4
545.31110	21.0
546.31512	3.2
563.32336	20.9
564.32745	3.4
591.33057	3.2
609.34143	4.5
627.35455	2.4
635.32074	2.7
645.36884	2.6
653.32715	6.9
654.34497	1.8
671.34399	4.5
689.35321	16.9
690.35065	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	690.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98836	33.4
65.15926	1.5
69.17931	8.8
69.18343	2.9
69.57536	1.6
71.01384	2.1
86.45403	1.4
89.02428	3.7
108.02216	1.8
109.02962	2.0
123.04495	1.7
125.02448	3.9
150.00525	1.5
151.00406	4.7
153.01964	4.1
167.03473	2.0
169.01440	3.2
175.04106	1.6
199.04056	1.9
227.03589	2.2
243.02931	6.2
254.02139	2.1
255.02965	11.2
255.87196	1.4
262.06363	1.9
271.02505	49.2
272.02942	6.2
297.06268	2.0
298.98581	2.0
299.01996	44.5
300.02753	83.0
301.03131	6.1
314.04413	2.6
315.05115	67.9
316.05460	4.2
329.06680	3.4
359.53915	1.8
442.13101	4.1
457.15436	3.0
458.15472	2.1
472.17761	16.9
473.18219	3.3
474.18378	3.0
492.46475	1.6
566.38220	1.9
612.11517	2.5
627.13544	100.0
628.13910	16.8
689.40619	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	691.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15343	0.4
69.17567	0.4
69.44576	2.9
79.95740	2.9
83.19258	0.4
96.96025	100.0
112.81490	0.5
125.02441	2.8
136.05330	0.5
137.02477	1.7
149.02498	0.6
151.04041	0.5
152.01201	0.5
161.02452	0.7
165.02032	0.6
175.04102	0.7
177.01949	3.4
187.04015	1.0
189.01923	1.1
231.03044	1.7
232.97610	1.3
233.53563	0.4
271.02890	0.4
283.02597	0.5
289.07251	1.6
314.57013	0.4
328.99887	0.6
371.00867	1.8
372.98779	0.9
384.98834	0.6
407.07816	1.5
425.08856	1.8
463.03564	1.6
469.01273	0.6
479.02991	8.6
480.03601	1.1
505.04724	0.7
523.82245	0.6
527.27887	0.5
631.07404	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	691.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33562	0.9
55.01883	1.5
57.03455	11.9
59.01389	1.8
61.98845	1.1
71.01389	1.3
71.25658	1.2
72.99312	1.2
83.01393	1.8
84.02180	3.3
85.02959	100.0
86.03304	2.3
91.97701	0.9
100.17315	0.9
109.02991	3.4
111.00941	0.8
115.00396	0.9
125.02479	1.0
129.01956	7.8
132.02034	0.9
133.02972	13.1
134.03734	3.6
135.04538	36.0
136.04846	1.5
137.02394	1.1
141.12607	0.8
147.03018	56.0
148.03337	1.5
149.06110	1.0
161.02466	65.0
162.02805	4.7
163.04010	1.3
173.00992	6.4
179.03523	26.4
180.03897	1.6
191.01994	32.4
192.02376	1.2
203.03584	1.9
219.03014	2.0
227.07147	1.1
231.02939	1.0
247.06143	16.7
248.06509	1.0
291.05426	1.1
300.99622	2.3
309.06369	1.4
335.04160	1.7
343.08176	1.8
353.05154	69.7
354.05603	9.1
659.95581	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	691.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63527	1.2
56.63770	1.1
57.03452	12.4
59.01387	3.6
69.72000	4.7
71.01384	1.3
78.93056	1.0
83.01371	1.3
84.02161	2.4
85.02959	100.0
86.03313	2.5
103.00407	1.1
111.10380	1.0
115.17860	1.1
117.03513	1.9
129.01958	27.1
135.04565	7.2
145.02962	7.9
147.03015	15.8
173.00911	13.3
179.03552	5.6
179.14291	1.0
191.01993	100.0
192.02339	3.8
293.06702	2.4
300.99942	2.2
309.06009	1.5
337.05713	2.5
353.05145	5.6
396.22525	1.1
413.23141	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	691.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45121	0.8
55.01891	1.7
57.03459	12.6
59.01382	3.7
59.75710	0.8
62.57936	0.7
71.01404	1.2
83.01385	1.3
84.02177	2.0
85.02958	100.0
86.03285	1.2
97.70851	0.8
103.00362	1.3
109.02921	1.1
111.00892	1.5
129.01959	18.3
129.02866	1.7
133.02962	3.3
134.03714	1.0
135.04543	16.9
145.02971	1.0
147.03009	16.3
161.02452	20.6
162.02837	1.5
173.00946	10.2
179.03506	11.2
180.03856	1.0
189.13817	0.9
191.01991	99.9
192.02325	2.5
228.71631	0.8
228.74042	1.1
247.06140	3.9
309.06207	2.3
353.05154	30.0
354.05524	3.0
467.17789	0.8
523.76013	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	691.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.5
57.03441	10.9
59.01385	6.2
71.01382	21.4
72.99334	2.7
83.01391	14.8
84.02159	2.6
85.02960	100.0
86.03288	3.4
89.02446	3.4
92.23117	3.3
98.22652	3.6
99.00897	4.6
111.00886	5.1
115.00394	2.8
119.05038	42.2
120.05381	2.6
129.01955	18.5
143.03542	8.7
145.02957	28.3
147.02998	6.3
163.04019	59.1
164.04355	3.4
166.18559	2.4
173.00969	7.0
191.01987	49.6
199.48105	2.8
209.99771	2.5
223.04596	72.4
224.04900	3.1
231.06628	9.9
337.05707	35.1
338.06067	4.8
340.97449	2.6
369.08310	49.7
370.08325	3.7
409.06873	2.9
521.68414	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	691.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	19.1
60.34137	5.9
61.98839	8.4
71.01389	32.8
71.27233	8.0
82.07841	5.8
83.01414	7.8
84.06486	6.2
86.74854	5.6
89.86074	6.2
101.02443	15.8
107.31943	6.1
108.02197	14.5
113.02501	14.8
123.00900	11.3
125.02452	48.6
126.02792	7.9
131.03532	6.6
137.02478	6.7
151.00346	8.5
161.04651	8.1
169.01424	43.4
200.01167	16.5
203.05637	10.7
211.06235	9.6
222.30840	6.3
228.00594	31.7
229.01430	48.7
237.05547	12.4
241.07225	8.2
243.03009	69.7
244.03151	8.1
252.07854	7.1
260.21466	7.6
263.07156	7.1
264.04358	11.3
265.05069	22.3
266.05908	6.9
267.06659	21.2
280.07208	12.8
281.08218	31.1
282.08957	13.8
283.06149	15.9
285.04071	19.5
286.04468	10.0
287.04788	10.7
292.03763	8.5
293.04437	13.1
295.09769	24.0
300.02713	7.4
307.06100	12.3
308.06854	8.6
323.09357	47.9
325.07040	10.3
326.07861	8.4
339.08746	16.2
341.10278	55.8
342.11008	7.3
349.07162	24.7
351.05057	10.0
367.08237	100.0
368.08679	19.5
411.11679	7.8
511.12720	7.3
647.19525	53.3
648.20801	11.5
691.18866	47.8
692.19464	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	691.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02421	0.6
56.19475	0.5
59.01383	43.2
62.94225	0.6
67.01890	1.0
69.03459	1.3
70.69056	1.3
70.69413	0.9
71.01385	9.6
83.01418	2.1
85.02941	1.2
87.00890	1.0
89.02450	9.7
95.01406	2.4
97.02952	1.9
101.02461	8.4
107.01393	8.0
110.07135	0.7
111.00909	2.4
113.02447	4.8
119.03514	4.4
123.00906	9.5
124.01669	3.0
125.02460	49.1
126.02770	1.1
131.03461	0.9
136.98825	1.1
139.00388	4.7
140.01172	4.5
141.01961	0.9
151.00375	4.9
163.11270	4.5
168.00621	4.8
169.01433	55.0
170.01753	2.9
179.03416	0.8
181.01448	0.7
207.10281	14.8
208.10603	1.5
211.02504	2.4
225.11224	0.8
271.04688	2.7
301.00012	1.7
313.05762	1.9
369.15356	1.4
387.16641	39.0
388.17004	4.0
479.15640	4.9
480.16116	0.8
521.16785	2.6
539.17731	51.2
540.18146	7.8
661.42181	0.7
691.18829	100.0
692.19220	22.3
692.31329	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	691.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48035	1.0
59.01376	1.8
61.98815	1.6
66.99455	1.0
69.03455	1.3
69.69836	3.7
69.70242	2.9
71.01382	2.2
71.97775	1.2
72.99321	1.1
73.23685	1.4
79.01887	2.2
95.01414	8.0
96.96017	4.7
98.22439	1.8
100.59650	1.1
107.01405	2.0
108.02193	1.8
109.03006	1.3
111.00895	3.4
114.85093	1.2
116.92882	1.8
121.02960	2.0
123.00897	33.8
123.04552	4.3
124.01714	1.7
125.02457	26.2
135.04553	2.2
136.01665	1.4
136.98810	1.4
137.02463	3.4
139.00394	11.2
139.04013	3.1
140.01163	5.6
141.01982	4.0
145.02892	1.7
149.02467	3.3
150.03258	8.0
151.00410	2.1
151.04002	5.9
153.01950	1.9
161.02461	1.2
163.77718	1.4
164.04695	1.5
165.05585	6.1
166.99884	15.9
167.02141	1.2
168.00641	10.1
169.01442	29.7
170.01801	2.7
170.11119	1.2
175.03958	1.3
183.02995	8.9
194.99409	2.7
197.04581	1.9
210.90762	1.1
211.06125	1.3
257.39987	1.1
271.02505	2.7
279.63232	1.1
289.07257	2.4
300.02753	6.8
302.08066	2.0
303.08835	1.5
314.07938	1.7
315.05209	5.9
317.06863	6.9
318.07443	12.4
319.08072	2.9
331.08188	8.7
332.09036	55.9
333.09744	27.6
334.10309	1.7
345.10083	2.8
347.11438	12.8
359.11395	1.7
365.28836	1.4
387.10818	8.6
388.11795	1.2
473.18460	2.2
481.15100	6.5
493.15256	2.8
511.16040	11.2
512.16364	1.4
529.17218	100.0
530.17603	16.7
629.11639	7.0
629.21967	1.4
653.24188	1.6
691.22522	66.2
692.22882	15.1
699.90240	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	691.2253
Annotation	Curcumin diglucoside
Peak:m/z	Relative Intensity
54.56707	2.4
59.01420	2.9
60.33914	2.3
61.98836	3.8
68.99822	2.3
69.22682	8.8
69.23100	9.5
74.88593	2.5
95.01405	15.8
98.22548	4.8
102.04050	2.3
103.87523	2.3
107.01427	3.5
109.02995	3.4
109.93039	2.5
111.00888	9.1
116.92886	4.0
122.03770	2.7
123.00909	43.7
123.04543	3.6
124.01713	4.3
125.02454	36.3
126.75748	2.3
127.76656	2.5
132.69678	2.7
134.03752	2.9
136.01564	3.1
136.98782	4.9
137.02440	6.1
139.00378	12.2
139.04004	3.8
140.01169	6.4
141.01944	4.9
149.02502	3.9
149.06046	3.3
150.03250	23.0
151.04018	12.4
165.05571	13.6
166.99908	23.5
167.38675	2.7
168.00734	13.3
169.01440	37.7
179.07323	3.6
180.04301	4.1
183.03006	11.5
194.99496	4.0
224.35612	2.6
255.02869	3.7
271.02448	10.0
300.02780	30.4
303.08844	2.7
312.81387	3.1
314.08066	5.5
315.05286	18.5
317.06696	10.0
318.07526	14.5
318.10745	2.5
331.08319	7.6
332.09055	81.1
333.09787	34.4
345.09729	5.8
347.11316	13.8
387.10995	7.4
477.10727	3.7
481.15308	9.2
493.15149	3.3
511.16010	18.2
512.16833	3.7
529.17206	99.3
530.17499	22.7
629.11292	26.0
691.22449	100.0
691.47742	2.9
692.22766	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	691.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
67.01888	1.1
70.30480	3.7
70.30836	1.3
71.01385	2.8
79.01888	1.5
83.01406	1.4
84.95086	1.3
85.02946	1.6
95.01408	1.8
97.02946	1.9
101.02461	1.2
107.01402	12.7
109.03001	1.5
111.00874	3.2
121.02952	3.3
122.03776	1.6
123.00911	14.1
123.04511	2.1
124.01699	2.4
125.02464	60.2
126.02798	2.3
139.00398	5.6
139.04066	1.4
140.01160	4.7
141.01895	2.0
149.02461	8.2
150.03253	8.9
151.00397	7.7
151.04030	4.8
164.04727	1.6
165.05598	7.5
166.06409	6.9
167.03394	1.3
168.00636	5.6
169.01447	85.1
170.01770	3.7
179.06993	1.5
181.08752	2.0
183.03021	6.2
195.06725	2.3
211.02512	3.0
212.06480	1.2
222.05455	1.0
223.02444	1.6
241.03484	1.6
271.04666	3.9
280.03223	1.4
313.05649	27.2
314.06052	2.6
314.11505	2.6
327.07269	2.2
329.14182	2.8
335.26218	1.2
336.31113	1.5
491.11996	2.7
509.13077	9.7
691.22449	100.0
692.22784	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92311	1.6
59.01387	11.9
59.86766	1.6
61.98833	5.7
69.00294	18.4
71.01385	6.9
79.01876	3.1
79.49731	1.6
89.02450	4.7
95.01402	9.1
96.96027	13.3
99.16736	1.8
101.02497	3.0
107.01408	2.8
108.02171	2.0
111.00893	3.9
123.00890	34.6
124.01723	2.6
125.02460	26.8
135.04529	1.9
136.98805	2.4
137.02432	4.4
139.00401	14.2
139.04082	1.9
140.01202	2.4
141.01932	3.2
145.02934	3.0
149.02428	1.7
150.03238	2.8
151.00464	1.9
151.04037	3.8
161.02382	2.0
162.03224	15.5
163.04030	5.4
165.05576	1.9
166.99866	15.8
168.00633	10.1
169.01434	26.3
177.05634	4.5
183.03001	6.6
194.99353	2.2
222.90927	1.8
279.00381	2.1
287.09277	4.3
289.07181	2.3
303.08551	2.4
314.08075	2.4
317.06683	7.7
318.07385	12.0
318.61969	1.8
331.08212	14.4
332.09015	55.9
333.09680	19.3
347.11398	6.9
348.11984	2.0
387.10870	15.3
493.15054	35.0
494.15552	5.5
495.15112	4.8
504.07596	1.8
511.16144	8.2
512.16785	2.6
673.21643	5.1
675.19696	2.2
691.22467	100.0
692.22784	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.3
59.12613	5.9
61.98809	10.3
69.03416	67.8
71.01385	64.1
101.02441	9.7
109.06607	11.4
163.11307	13.1
169.12344	11.5
171.10297	45.8
181.12285	8.5
183.13892	15.8
185.11928	7.3
197.11908	10.7
201.11372	10.6
207.10312	36.5
209.11870	37.2
211.13431	100.0
225.11404	34.1
227.12947	12.0
228.63019	7.1
253.09303	13.2
339.23117	7.0
373.23959	10.7
401.23514	24.8
406.02097	6.1
410.77243	6.0
443.19705	8.1
447.22238	10.1
468.21384	6.6
516.29919	7.1
619.30804	12.5
637.32422	93.4
638.32904	22.2
655.33606	32.4
656.33356	10.6
659.32648	15.0
691.34692	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	691.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.9
61.98820	15.5
71.01388	62.0
82.15382	3.5
83.05027	3.5
85.32204	3.7
85.32715	3.2
87.77272	3.2
90.37817	3.9
98.22560	6.4
101.02438	5.9
109.06600	14.9
113.02449	5.3
125.09717	6.9
142.12276	3.6
149.65788	3.3
161.04541	5.6
163.11320	5.4
171.08980	5.1
171.10303	47.9
181.12236	6.4
183.13925	9.6
185.11864	7.3
197.11774	4.1
199.09814	5.2
201.11325	16.1
207.10281	36.4
209.11821	16.5
211.13429	100.0
212.13698	5.2
214.56590	3.9
225.11353	22.3
235.08278	5.3
253.09258	15.4
363.67038	4.3
383.22043	4.8
401.23462	13.0
447.21756	4.1
461.20200	8.7
600.61884	4.5
609.32758	4.7
619.31036	15.1
620.31714	4.8
637.32349	63.2
638.32404	15.1
655.33154	34.7
656.33765	4.4
659.32471	7.7
673.34320	6.3
691.34174	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	691.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
61.98837	0.8
69.04542	5.6
71.01371	2.0
76.51060	0.5
80.02678	0.8
81.03465	0.8
83.05024	4.7
84.02204	0.6
85.02948	0.8
86.03479	0.5
89.02460	1.2
95.05029	0.6
101.02462	2.4
113.02468	0.8
125.02505	0.9
125.09747	0.9
127.11317	0.8
136.75945	0.5
161.04535	0.8
163.11331	2.2
165.12874	1.9
169.01418	1.1
171.10292	1.6
178.91154	0.5
181.12408	0.7
199.09935	0.8
201.11334	21.8
202.11581	1.3
208.29738	0.5
209.11845	100.0
210.12169	9.1
225.11281	0.8
227.12918	15.7
228.13188	1.0
235.08293	2.5
251.86766	0.5
253.09294	8.8
318.56647	0.8
437.19995	0.7
445.20599	2.8
521.16583	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	691.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41433	5.9
59.01392	7.2
61.98822	10.2
71.01394	20.7
71.28978	8.8
71.29362	5.5
76.36331	5.2
77.49931	6.4
96.86323	5.2
125.02467	10.7
151.11269	8.0
169.12344	73.7
170.12579	5.4
171.10255	14.2
209.11867	45.8
211.13463	28.8
211.31923	6.0
213.11365	10.8
225.11298	6.3
253.09178	6.3
254.70280	5.5
300.99966	8.4
449.20517	8.3
498.32614	7.1
659.32813	100.0
660.33490	21.5
691.34668	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	692.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74322	1.1
66.46880	1.1
79.35233	1.1
107.01418	2.0
125.02443	13.5
129.54152	1.2
139.00374	1.1
151.00420	2.0
162.97388	1.2
168.00656	1.3
169.01434	17.2
214.62967	1.2
243.03021	3.8
254.02170	2.0
255.03046	12.7
271.02505	27.6
272.02942	3.6
299.01929	5.7
300.02777	94.3
301.03140	10.8
313.05695	10.5
315.05136	70.6
316.05447	7.6
332.09146	1.6
411.09460	1.3
477.10519	20.2
478.10345	1.8
530.17444	2.9
629.11487	100.0
630.11853	25.4
692.22839	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	693.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01384	27.7
59.48983	1.3
60.54961	1.1
62.87976	1.3
69.03457	1.4
69.19635	9.5
72.99302	1.4
76.26793	1.2
84.58160	1.5
96.95979	1.3
97.02979	3.5
107.01353	1.4
109.02973	9.2
111.00825	1.2
119.05050	4.8
121.02945	1.2
123.00898	2.1
123.04537	4.6
125.02459	72.5
126.02776	1.8
137.02452	6.7
139.04002	1.2
145.03047	2.0
147.04544	56.5
148.04881	4.3
149.02420	1.9
151.04002	4.1
158.63135	1.3
159.04533	2.3
161.06052	2.0
164.01184	1.6
164.07170	1.4
165.01967	1.5
165.05588	50.1
166.05930	2.3
166.99820	1.4
167.03572	1.5
169.01442	100.0
170.01807	6.0
175.04073	1.4
179.03487	1.9
187.04018	2.3
193.01454	4.5
203.07170	5.4
203.54260	1.1
205.04947	2.0
207.06651	30.6
208.07062	1.8
221.08220	1.2
245.08191	7.9
271.06177	5.0
289.07214	32.8
290.07559	3.1
303.05157	2.3
331.04721	1.5
354.87305	1.3
441.02228	1.9
441.08310	38.9
442.08762	6.1
445.46112	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	693.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
71.01395	2.3
73.95845	0.4
75.28593	0.4
75.44561	0.5
76.14122	0.5
83.01373	0.5
86.99194	0.5
89.02427	1.2
101.02430	1.2
113.02465	0.8
117.03473	1.0
117.92036	0.5
119.03471	0.5
119.41074	0.5
125.02444	3.3
132.02188	20.1
132.03192	1.0
133.02528	0.6
134.03752	15.5
135.04515	0.6
137.02478	0.8
149.06068	2.2
151.00488	0.6
151.04022	0.5
160.01677	73.4
161.02086	3.9
168.04245	0.5
169.01411	3.0
175.04021	100.0
176.04366	4.2
177.01961	0.6
178.02679	1.5
187.58142	0.5
193.03294	1.0
193.05069	14.9
194.05403	0.8
214.50717	0.5
235.06232	0.6
245.25175	0.5
256.07315	0.5
265.07205	1.8
300.99893	0.5
319.08228	0.9
330.31592	0.5
337.09271	2.1
378.41873	0.5
499.14529	7.0
500.15082	1.0
513.13989	1.2
517.15607	16.5
518.16052	1.5
693.21259	6.4
694.20026	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	693.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07962	3.5
66.66193	2.9
71.99554	3.4
79.26091	3.2
98.21901	14.6
112.52448	3.1
145.96718	3.1
185.43402	3.2
198.33839	3.2
209.11847	100.0
210.12190	10.0
211.13429	93.9
212.13760	6.8
213.06371	3.0
227.12904	27.0
228.64496	4.1
235.08287	5.1
253.09332	10.1
331.94055	3.5
445.20932	7.9
447.22137	5.9
564.11584	3.8
568.62274	3.4
639.33698	3.8
693.32538	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	693.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71011	35.2
69.00806	35.5
70.90455	98.0
78.95919	53.7
139.91731	33.3
145.02945	69.6
152.99609	50.1
167.49271	35.5
209.11885	56.8
211.13423	36.6
222.37480	36.3
295.22836	100.0
531.28302	36.9
595.26605	46.7
617.05133	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
60.99302	3.3
69.03452	1.3
69.10313	11.1
71.01395	8.6
76.67509	1.0
77.94960	1.2
83.01410	2.2
85.02953	1.5
88.98823	12.3
95.01424	2.8
96.96022	4.5
97.02987	1.6
99.92604	2.5
101.02448	1.8
107.01403	9.8
111.00859	2.0
113.02428	2.5
116.92867	18.0
117.92898	1.5
123.00898	14.3
123.04511	1.1
124.01681	3.9
125.02462	71.3
126.02777	2.5
139.00381	5.0
139.04056	2.1
140.01163	4.1
149.02443	1.7
151.00378	9.2
151.04015	2.2
165.01947	2.0
166.99904	2.1
167.03508	2.5
168.00728	5.9
169.01442	100.0
170.01773	3.7
177.01917	2.1
179.03523	1.6
189.70879	1.1
191.03641	1.6
193.01485	6.5
205.01456	1.4
211.02487	6.5
223.02560	2.5
241.03667	1.5
295.04437	2.2
297.06213	4.8
301.00162	1.6
303.73511	1.2
313.05655	33.0
314.05905	3.9
322.81729	1.3
465.06769	89.0
466.07291	10.0
476.05399	1.3
605.11517	79.7
606.11823	16.0
619.70502	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	695.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77495	1.4
68.54373	1.8
71.01369	5.9
78.37463	1.8
88.98801	4.5
95.01417	3.0
96.96030	2.5
98.21706	3.4
101.02530	1.8
107.01379	7.3
111.00954	1.5
113.02475	2.3
123.00886	14.8
124.01680	3.2
125.02461	65.8
126.02810	2.0
137.02470	2.0
139.00369	4.2
140.01154	3.5
141.01924	2.3
151.00386	5.4
167.03523	2.0
168.00641	7.2
169.01447	82.2
170.01793	3.6
183.02939	1.8
193.01472	4.6
193.26480	1.6
203.20468	1.8
211.02444	8.9
230.10211	1.8
235.02492	1.7
241.03569	1.8
295.04553	3.0
297.06168	4.7
313.05728	30.5
314.05701	2.1
465.06778	57.5
466.07129	5.0
605.11530	100.0
606.11914	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	695.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90928	1.3
61.98818	2.4
68.99934	3.6
69.00341	11.1
69.03513	1.3
70.64711	1.6
78.90439	1.3
87.00895	4.8
88.59808	1.3
89.03986	2.6
98.21883	4.9
98.22566	2.8
99.02400	1.5
104.56184	1.6
108.02177	2.4
111.44991	1.4
115.01904	1.5
117.03490	2.9
122.03809	1.7
123.00925	1.9
131.01387	1.8
132.02205	4.9
133.02968	4.3
139.00352	1.9
143.01361	2.7
144.02122	1.8
145.02950	11.2
146.03755	1.8
147.00923	4.3
147.04604	2.2
148.01662	2.6
149.02428	2.2
149.06099	3.5
150.06924	3.0
151.07674	2.9
157.02974	2.1
159.00874	3.4
159.04469	1.8
160.01682	5.5
161.02472	24.7
162.03064	1.9
163.00366	3.5
163.04021	4.7
164.01065	1.6
169.01392	2.0
171.00903	6.6
172.01677	5.0
173.02467	10.8
175.00383	2.5
175.04028	1.8
176.01186	3.3
177.01944	4.1
179.03600	1.9
185.02397	1.8
187.00400	7.8
188.01158	8.9
189.01912	19.5
190.02647	2.1
190.99939	3.1
191.03554	5.8
199.00415	6.0
200.01273	4.9
201.01939	11.2
202.02521	1.7
202.99963	1.8
203.03511	3.3
205.01614	2.0
211.04109	2.0
211.13365	2.9
213.05521	2.0
214.99870	11.5
215.03328	1.5
216.00639	7.9
217.01405	18.7
219.03049	2.7
226.99930	7.4
227.03566	2.9
228.00523	2.3
229.01344	10.7
230.02014	2.6
230.99290	1.9
231.02914	3.0
232.00072	3.2
232.14700	2.4
233.00929	3.2
233.15477	17.3
235.02501	2.5
241.05055	2.0
242.99356	20.7
243.72984	1.5
244.00014	3.1
245.00917	12.5
246.01717	2.5
247.02493	5.9
254.99300	3.4
257.00870	3.2
257.04581	1.8
259.99637	17.5
261.00388	7.5
270.98859	55.3
271.99396	6.1
272.97504	1.8
273.00433	34.9
274.00964	2.1
275.01971	3.5
298.98358	100.0
299.98944	18.2
300.99948	23.1
301.03604	5.1
302.00400	2.7
337.22198	1.8
341.03076	2.4
385.02069	4.6
524.47424	1.6
595.21466	2.3
607.22070	1.9
639.21143	15.7
640.21185	2.3
651.20801	17.5
652.21478	6.9
667.20349	35.7
668.20758	8.3
677.18689	3.0
695.19855	36.5
696.20215	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	695.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06713	1.0
65.77382	0.9
67.38406	0.8
69.41914	1.7
69.42310	5.0
71.01380	2.2
72.26125	0.9
85.02953	1.4
89.29435	0.9
96.96024	0.9
108.02128	0.9
109.02974	1.7
121.02922	1.0
125.02438	3.0
132.02191	19.5
133.02937	1.4
134.03757	23.6
136.01674	33.6
137.02458	2.0
138.45201	0.9
149.06102	4.6
151.04021	36.9
152.04349	1.5
158.37051	0.9
159.04527	1.0
160.01672	78.3
161.02246	5.0
162.03270	0.9
164.93625	0.9
169.01456	2.6
175.04019	91.3
176.04359	6.6
177.01918	1.5
177.05542	1.3
178.02629	1.6
179.03580	1.2
181.67763	1.0
181.81026	0.9
189.05609	1.0
191.07124	2.5
193.05072	22.0
206.05801	0.9
217.05020	1.3
279.06534	1.3
312.10001	3.1
327.12491	6.5
337.09305	100.0
338.09512	8.3
342.10895	1.3
343.11835	11.1
344.12097	1.3
357.13489	10.8
358.13882	1.4
695.23474	33.0
696.23639	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	695.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03179	1.4
57.03451	26.2
57.96852	0.7
59.01377	1.4
61.98839	0.8
65.00326	0.7
65.03960	4.4
67.01888	3.2
68.99819	1.6
69.03458	19.3
71.01391	18.1
71.28844	1.1
80.74879	0.9
81.03461	75.0
82.03798	2.5
83.01395	7.5
83.05025	7.4
85.02976	1.5
91.05578	1.2
93.03468	4.0
93.19384	0.7
95.05031	11.6
97.02958	10.3
97.06600	3.2
99.04526	1.9
101.97800	0.7
107.01393	1.0
107.05042	13.3
109.02964	2.2
109.06583	3.5
111.04504	1.1
113.09736	2.1
119.05022	2.0
121.06600	2.6
123.04516	3.8
123.08189	2.1
125.02457	100.0
125.06094	3.3
126.02801	3.8
127.03998	0.9
133.06645	4.0
135.04541	1.3
139.11299	1.4
141.09225	2.3
145.06529	1.0
149.06030	0.9
151.04021	18.2
151.07649	1.5
153.05510	0.8
155.10826	1.1
155.14494	1.0
167.03587	4.0
169.01460	2.3
177.05602	10.9
177.09241	0.9
178.05084	1.1
183.13908	2.3
197.15485	1.3
203.07198	2.3
221.19138	2.3
237.18591	1.8
237.63391	0.7
239.20195	13.0
240.20552	1.1
263.20209	1.4
279.23334	12.3
281.21375	3.8
297.24481	2.6
303.23276	1.4
305.24860	1.8
307.22775	1.1
311.11572	1.5
321.24414	9.2
322.24872	1.2
323.22388	1.8
323.25903	2.5
329.12402	5.4
331.22806	1.2
333.24414	1.2
339.25528	1.0
347.25894	5.7
349.23877	3.6
357.24368	2.2
365.23303	46.8
365.26855	3.1
366.23679	6.7
373.27328	0.9
375.25388	2.9
391.24808	15.9
391.28687	1.2
392.25375	2.3
393.22647	1.8
401.27121	2.2
402.27539	1.2
407.24545	1.3
417.26620	2.8
419.24249	6.4
445.25882	4.8
463.27219	1.3
471.27396	2.8
481.27921	3.7
489.28644	1.7
497.29208	1.2
507.29648	5.4
515.29858	2.4
525.30634	9.2
526.30786	1.8
533.31226	6.1
534.31567	1.3
551.32294	17.6
552.32385	4.2
569.33325	49.3
570.33557	12.1
615.35101	1.8
633.36346	6.3
634.36957	1.3
651.37555	12.5
652.38232	4.1
659.34192	1.6
677.35480	11.7
678.36029	3.6
695.36475	60.6
696.36975	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	696.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98840	2.8
69.03944	1.6
76.78399	1.4
86.98871	1.4
89.02455	3.2
98.22446	6.6
101.02463	2.1
113.02543	1.8
149.27315	1.4
161.04562	2.5
167.10837	1.9
171.10283	1.7
179.14484	2.8
183.13890	4.2
195.13881	7.3
205.12355	7.0
211.13403	100.0
212.13750	9.0
223.13409	76.9
224.13768	5.9
235.08223	3.3
253.09325	5.6
264.61234	1.4
296.31137	1.5
315.62585	1.5
399.25671	1.6
441.21075	2.2
447.22507	6.1
448.22485	2.3
459.22360	10.0
556.52179	1.5
635.34534	1.7
653.35321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22504	4.2
59.01373	23.7
71.01382	21.8
76.95020	4.9
87.00887	7.2
89.02470	22.3
99.00912	5.9
101.02460	21.8
113.02473	10.0
118.36062	4.8
125.02385	7.6
127.19569	4.7
141.18848	5.0
161.04648	5.9
171.45323	5.0
235.08194	10.2
255.23326	66.7
256.23700	7.6
286.78683	5.6
397.13541	100.0
415.14618	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.3
65.40332	0.2
69.49969	1.4
73.58366	0.3
79.95749	3.4
87.46064	0.2
96.96024	100.0
97.95934	0.4
98.22159	0.8
107.01418	0.7
121.02962	0.7
143.47443	0.2
151.00388	3.1
163.00420	0.3
169.01457	0.5
178.99873	0.9
211.09534	0.3
225.44478	0.2
233.27972	0.2
271.02399	0.4
280.71625	0.2
301.03546	6.1
302.03897	0.7
326.98615	0.3
338.98300	0.3
356.99393	0.7
412.35632	0.2
418.99927	0.3
435.00162	0.4
462.99832	0.3
490.99301	0.5
509.00659	0.4
533.00159	1.2
599.10614	1.8
600.10797	0.5
637.05042	2.7
638.05469	0.4
669.04376	1.0
697.06610	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	697.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83357	5.5
53.81670	4.2
57.03444	13.7
57.09957	4.1
59.01390	7.6
71.01396	6.4
71.26295	5.2
85.02967	4.9
89.02486	7.3
96.96015	4.6
97.02969	5.1
101.02489	4.5
109.02962	15.3
111.02470	4.7
119.08828	4.3
121.02956	5.4
123.00900	14.4
123.04581	8.7
125.02459	100.0
133.02921	4.6
137.02461	22.0
145.02963	20.0
149.02521	6.2
151.00436	5.1
151.04013	12.1
152.31027	5.6
159.04504	14.4
161.02415	12.1
161.06061	11.1
163.00417	15.5
163.04056	7.7
164.01202	18.9
165.01941	16.8
169.01448	20.9
171.04532	8.1
174.03230	4.7
175.04051	17.5
177.01932	25.1
179.03580	4.9
185.02333	6.0
185.06113	8.3
187.04047	26.4
191.03496	6.6
198.86638	4.5
199.04041	20.1
203.03465	7.0
203.07138	6.5
205.05112	5.2
213.05501	5.7
215.03566	15.9
217.05061	17.4
219.02980	7.9
227.03484	29.0
227.07140	5.2
228.04076	8.3
229.01543	5.3
229.05089	8.7
241.05013	5.8
243.02960	20.9
245.04842	5.4
249.05722	6.3
251.03481	11.6
253.01396	5.4
253.05093	11.1
255.02943	34.7
256.03735	9.9
267.03128	5.4
267.06696	9.3
269.04578	7.6
271.06079	40.9
272.06497	5.5
273.04089	14.4
279.03067	6.7
283.02621	5.8
285.03983	8.8
289.07260	37.3
291.06635	5.6
295.02518	5.6
295.06113	4.8
297.04062	17.4
316.19846	5.8
317.04843	5.2
319.06204	10.2
323.80396	4.6
335.05731	16.7
337.07251	6.5
345.04019	4.9
349.32407	5.2
353.06735	9.6
363.05075	31.5
377.06500	6.4
378.90308	4.9
380.14206	5.0
381.06171	42.3
382.06528	7.4
389.06839	5.6
405.06296	6.2
407.03317	57.4
407.07990	28.2
408.04001	5.3
425.04990	22.0
434.82141	5.1
509.08588	6.2
546.57336	5.5
556.27777	5.4
559.09302	7.2
571.08160	5.3
696.49249	6.5
697.12018	29.7
697.27081	15.0
698.12323	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	697.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56341	0.2
61.98823	0.4
67.01885	0.2
69.04601	1.6
71.72637	0.1
72.35066	0.2
87.00871	0.2
95.01412	0.8
101.03994	0.1
111.00908	0.2
117.03452	0.5
122.03706	0.2
123.00913	1.1
123.01723	0.2
125.02457	0.4
129.03450	0.5
133.02936	0.3
135.04489	0.2
145.02980	1.1
147.04529	0.7
149.06087	0.4
150.06873	0.3
151.00389	0.2
151.07532	0.2
157.02940	0.7
161.02400	0.2
162.54823	0.1
163.04034	0.6
168.00624	0.2
169.01457	0.4
173.02461	1.8
175.04066	0.4
177.01889	0.2
185.02475	2.7
185.04077	0.2
189.01991	0.7
190.02745	0.2
191.03459	0.7
197.11830	0.5
199.00403	0.2
200.01175	0.3
201.01950	2.5
202.02446	0.4
203.03502	0.6
213.01901	0.4
213.14958	0.6
217.01399	0.6
219.02988	0.3
226.99893	0.6
227.12912	0.3
228.00571	0.3
229.01443	5.2
230.02003	0.3
231.03073	0.7
233.15450	0.9
240.00693	0.2
244.00111	0.3
245.00914	1.7
247.02449	0.3
250.71111	0.2
254.99437	0.2
257.00900	3.3
258.01559	0.5
259.02539	0.2
273.00369	0.7
274.01346	0.5
275.01978	5.3
276.02298	0.4
283.99680	2.9
299.99142	2.5
300.99918	100.0
302.00256	7.8
433.99081	0.2
483.22433	0.2
647.91974	0.2
697.21411	12.9
698.21826	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	697.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09379	0.9
59.01381	1.9
65.39809	0.9
71.01380	3.5
73.02941	1.2
73.59102	0.9
74.92355	0.9
83.68011	1.0
85.02959	1.7
85.76549	0.9
89.02428	1.0
98.22548	1.7
101.02442	1.5
108.02183	5.0
109.02956	8.5
113.02440	1.6
121.02969	4.1
122.03775	1.6
123.04546	3.0
125.02471	7.0
129.03435	1.1
134.03767	2.4
136.05266	1.0
138.03200	0.9
143.05023	1.2
146.03740	2.6
147.04541	26.4
148.05231	3.1
149.02452	2.1
149.06081	1.0
150.03229	6.3
151.00438	1.0
151.03984	1.7
158.03749	3.8
159.04532	11.8
160.05315	24.0
161.06104	20.5
162.06746	2.1
163.04002	7.5
164.04808	15.3
165.05298	1.0
169.01433	6.2
173.06064	4.6
175.07646	27.4
176.07994	1.1
177.05582	7.3
178.06396	6.8
193.05101	3.2
193.08675	4.1
252.08051	1.2
267.06693	2.7
268.07416	9.6
269.08163	2.5
274.50247	1.0
279.69861	1.0
280.01416	0.9
282.08942	1.7
283.09735	13.3
284.10468	12.4
297.11316	1.7
298.12149	6.6
299.12900	31.4
300.13300	3.2
313.05597	2.1
329.13959	100.0
330.14362	12.3
373.12860	9.7
374.13461	1.0
455.91586	1.0
465.06821	7.4
474.37347	0.9
491.19321	12.5
492.19583	2.0
505.72025	0.9
535.18231	64.6
536.18597	10.8
697.23584	36.3
698.23529	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	697.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	5.4
59.01090	4.6
59.01382	86.4
59.26530	2.3
65.70358	2.1
71.01388	69.3
71.27792	4.4
72.99298	4.6
73.02930	2.7
83.01394	2.7
85.02962	11.6
87.00887	6.2
89.02451	100.0
90.63882	2.3
92.19912	2.7
101.02448	36.6
102.02777	2.1
109.02847	2.4
113.02454	24.5
119.03514	42.0
123.00871	7.3
124.01675	4.3
125.02457	14.2
131.03532	3.3
136.01685	6.3
137.02454	3.7
139.04013	2.8
143.03523	5.6
149.04596	4.0
151.03998	7.3
159.04478	2.6
161.04605	4.7
164.44415	2.5
169.01425	10.0
172.05246	2.6
179.05551	13.0
189.05563	3.1
189.12798	2.3
190.06326	4.5
209.11819	5.3
210.50804	2.6
236.09601	4.5
253.05070	7.9
266.05862	2.6
267.06519	2.8
275.02002	5.1
279.06619	2.5
280.89380	2.5
281.04568	19.5
282.05145	3.4
285.03995	3.3
296.06796	21.5
311.09271	11.6
321.07660	3.5
336.10162	5.1
337.10083	3.1
370.04291	3.7
459.14505	4.0
468.04382	7.8
472.15396	3.1
487.14050	9.4
487.18430	4.1
502.16138	8.2
503.16730	3.9
517.18689	73.9
518.19031	18.8
535.21735	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	698.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84550	2.2
79.95789	2.6
95.97610	5.5
98.21716	4.4
107.01418	5.5
118.06663	3.7
123.00879	4.2
123.15413	2.3
125.02465	74.1
126.02774	2.8
139.00377	2.7
147.04535	5.6
164.07188	8.8
169.01436	100.0
170.01839	5.8
193.01433	4.5
211.02507	9.5
229.17209	2.8
239.54079	2.6
244.02872	22.3
271.04639	4.9
313.05624	4.4
331.06943	2.6
465.06879	8.1
466.07159	2.8
471.38629	3.0
483.07642	6.9
635.08942	83.4
636.09100	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	698.085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51849	2.4
52.26256	2.3
67.03403	2.4
71.01387	2.9
71.62374	2.1
76.56136	2.2
85.34892	2.3
90.13184	2.0
90.52899	2.4
98.22523	6.5
107.01393	4.2
123.00856	5.0
125.02461	71.2
126.02761	3.2
168.00699	3.3
169.01439	100.0
211.02487	7.8
242.81770	2.8
271.04776	5.7
276.00430	2.5
295.04575	4.7
301.00110	2.7
309.38727	2.7
313.05789	3.3
392.64401	2.4
395.59509	2.5
423.05588	3.2
465.06433	2.9
483.07855	8.3
635.08972	69.4
636.09546	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	698.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37731	3.5
60.50518	3.3
71.01350	4.2
75.92930	3.6
97.43903	3.4
101.02462	4.6
102.01589	3.6
104.63840	3.9
107.01400	8.3
107.09191	3.8
111.26951	3.4
119.51575	3.7
123.00922	7.4
125.02464	58.0
154.04926	4.7
163.35915	3.7
168.00626	6.5
169.01443	72.4
193.01511	5.1
211.02461	4.5
218.33658	4.4
313.05661	23.1
465.06747	100.0
466.07083	15.0
635.08594	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	698.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84550	2.2
79.95789	2.6
95.97610	5.5
98.21716	4.4
107.01418	5.5
118.06663	3.7
123.00879	4.2
123.15413	2.3
125.02465	74.1
126.02774	2.8
139.00377	2.7
147.04535	5.6
164.07188	8.8
169.01436	100.0
170.01839	5.8
193.01433	4.5
211.02507	9.5
229.17209	2.8
239.54079	2.6
244.02872	22.3
271.04639	4.9
313.05624	4.4
331.06943	2.6
465.06879	8.1
466.07159	2.8
471.38629	3.0
483.07642	6.9
635.08942	83.4
636.09100	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	698.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	2.0
71.01376	5.8
85.02937	2.9
100.43390	1.8
107.01393	9.3
113.02454	4.5
115.00390	2.9
121.02963	10.0
121.99210	2.2
123.00867	4.4
125.02457	70.1
126.02826	2.3
140.01155	1.7
151.00311	4.1
153.05602	9.1
161.02434	2.1
168.00691	3.3
169.01445	100.0
170.01866	4.6
178.05243	2.6
191.03490	2.1
193.01378	2.1
197.04578	34.5
211.02467	3.8
229.19783	2.2
247.02795	2.0
271.04541	3.9
300.99713	2.8
313.05579	13.4
326.78717	2.3
384.09427	3.1
430.88937	2.2
465.06525	12.0
483.07886	15.3
635.08972	73.3
636.09296	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	699.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32726	17.9
71.50951	17.5
82.17719	15.5
92.05070	65.3
98.02489	37.6
110.92754	15.3
110.93695	16.9
125.02464	24.3
130.06618	22.9
132.80070	17.6
136.04047	42.4
141.94032	15.3
164.07259	35.4
174.05560	35.1
175.03999	22.2
201.67148	16.4
218.04610	61.1
246.07861	27.6
300.02756	23.7
310.59763	19.1
383.12619	100.0
402.86469	20.7
456.21310	19.0
699.35583	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05667	0.5
56.92689	0.4
61.66976	0.4
61.98826	0.8
67.01881	1.3
69.03445	1.7
71.01391	1.2
72.36037	0.4
79.01917	1.0
81.03432	0.9
81.69663	0.5
95.01388	1.2
97.02975	1.5
98.21737	1.1
98.22412	2.5
107.01395	19.6
108.01729	0.9
111.00885	1.6
113.02472	0.6
123.00915	4.5
124.01684	1.0
125.02457	74.9
126.02767	2.4
135.10135	0.5
136.98830	0.9
139.00368	2.4
140.01178	2.2
141.01990	0.5
151.00427	3.0
151.07748	0.6
166.99863	0.6
168.00645	2.6
169.01436	100.0
170.01820	4.7
171.10469	0.4
171.52438	0.6
209.11867	1.2
211.13362	0.8
232.14708	0.6
233.15463	2.0
313.05670	2.6
529.20813	1.0
547.21918	18.0
548.22314	3.1
633.30273	0.6
699.22955	48.2
700.23273	12.8
700.35101	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	699.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
59.42123	0.3
65.00309	0.7
65.30849	0.3
67.01889	1.6
67.55875	0.3
68.99817	0.6
69.03449	1.2
70.47359	0.3
71.01397	2.0
72.99306	0.6
73.02944	0.6
79.01887	1.1
81.03455	0.7
83.01394	1.0
85.02965	1.1
87.00874	1.2
95.01407	2.4
97.02978	2.1
98.22292	1.9
98.40498	0.3
99.00858	0.4
101.02440	1.2
104.99667	0.3
107.01398	12.2
108.01698	0.5
109.02969	0.4
110.00124	0.5
111.00898	4.4
113.02447	1.1
117.03502	0.3
121.06666	0.3
122.03765	0.7
123.00008	0.7
123.00899	13.4
123.18227	0.3
124.01704	2.8
125.02458	64.3
126.02759	2.0
127.00383	1.6
135.04543	1.2
136.98816	2.3
137.02452	0.7
139.00389	6.7
139.04134	0.3
140.01170	4.9
141.01938	1.3
145.02975	0.4
148.05318	0.3
149.06087	1.8
150.06834	0.8
151.00392	8.9
151.07643	0.8
153.01955	0.7
154.99863	0.4
155.11937	0.3
165.01984	0.5
165.05652	0.5
166.99873	1.6
167.03566	0.5
168.00661	9.0
169.01439	72.7
169.37929	0.3
170.01772	3.1
177.01929	0.4
179.03546	0.6
181.01465	0.7
193.01404	1.0
193.04976	0.7
209.04649	0.3
209.11899	0.6
211.02451	0.6
218.13066	0.5
219.13950	0.5
223.02522	0.4
232.14673	2.6
233.15456	7.0
234.15793	0.4
237.04092	1.7
241.03590	0.5
247.13467	0.4
253.03632	0.6
260.64993	0.4
279.05164	0.4
295.04565	1.2
297.06012	1.5
301.00058	0.4
313.05679	9.4
314.06070	0.7
326.62234	0.3
449.07434	0.5
465.06302	0.5
547.21899	15.8
548.22302	2.9
699.22955	100.0
700.23315	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32069	0.8
59.01377	5.6
65.39819	0.9
70.82285	2.1
71.01377	4.3
86.92797	0.8
89.02465	3.0
97.06639	2.2
101.02441	4.4
113.02470	1.9
113.09773	1.7
115.07710	1.4
127.11319	2.5
152.08777	1.1
161.04547	1.7
165.12885	1.8
167.14380	1.2
171.10291	100.0
172.10689	4.9
181.12357	2.7
195.13980	2.2
211.13376	4.6
221.15430	1.7
223.13431	1.7
235.08217	3.2
247.20773	2.6
253.09280	9.7
273.18680	2.4
281.21332	1.5
291.19699	30.3
292.20041	3.5
309.20737	80.5
310.21115	7.7
446.30344	1.0
527.28552	2.9
545.29675	13.1
546.30127	1.9
654.63507	0.9
699.39813	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	700.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34769	1.2
56.51011	1.1
71.01373	3.8
71.27229	1.4
71.27570	1.6
95.01401	1.9
96.96029	3.8
97.30396	1.2
107.01398	3.8
108.67384	1.3
111.00907	2.9
121.02943	1.9
123.00883	9.8
125.02457	26.3
126.02825	2.1
128.10837	1.6
130.08754	26.6
132.84775	1.1
136.98836	2.0
139.00415	13.9
139.03989	1.5
140.01207	10.1
141.01926	2.3
150.01508	1.3
151.00357	5.9
153.01939	2.9
154.02724	9.9
155.03555	4.1
168.00642	6.3
168.97188	1.1
169.01436	33.7
169.05086	3.7
170.01810	3.4
172.09833	20.8
183.03046	10.1
197.04594	6.2
285.05978	1.3
313.05807	6.9
318.61923	1.3
327.07404	4.1
371.09381	1.4
420.69028	1.2
483.11478	100.0
484.11920	11.5
637.09442	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	700.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
61.18434	1.8
61.98819	4.8
65.57288	1.9
71.01372	4.2
76.57597	1.9
82.63315	1.7
83.05029	4.2
85.92216	1.9
89.02428	3.9
98.22633	2.7
101.02435	2.2
109.68787	1.8
130.11127	1.9
136.95079	1.8
163.11252	4.2
169.01419	4.2
171.10281	11.3
197.11832	4.7
209.11838	100.0
210.12126	6.9
211.13399	73.7
212.13747	5.6
225.11325	3.0
227.12866	13.7
229.34470	2.3
251.62399	2.3
253.09247	6.8
295.29358	2.0
300.99701	2.6
308.27621	2.2
310.21173	2.2
447.21820	2.6
523.28107	2.2
581.43414	2.1
690.96869	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	701.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	27.8
65.01966	19.7
69.67558	100.0
80.87603	18.9
93.41792	18.5
96.96014	20.0
130.97383	20.5
139.01773	21.2
171.10280	43.6
172.10637	24.2
191.74944	22.1
209.11795	24.7
211.13496	41.0
223.13472	63.5
229.25650	21.1
264.91138	24.4
291.19785	26.3
542.41888	24.0
580.99847	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64011	0.4
53.38627	0.5
53.63047	0.5
62.59424	0.5
63.96244	0.6
64.97032	2.6
72.00913	4.6
75.59409	0.4
79.95741	13.5
80.96532	7.9
93.27926	0.4
95.97623	32.0
98.21758	1.3
118.06644	15.9
119.06975	1.0
147.04536	15.9
148.04901	1.0
164.07179	42.2
165.07494	2.5
173.01059	0.6
193.06139	0.5
198.02325	0.9
222.69362	0.5
226.01770	1.6
244.02855	100.0
245.03160	4.8
286.23328	0.5
391.00958	0.5
469.76367	0.5
516.49341	0.5
690.34259	0.6
713.79791	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	702.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97624	2.3
59.01363	3.0
61.98837	8.7
67.79796	2.8
69.12528	15.5
69.12942	7.2
83.01451	2.5
88.98808	4.3
98.21764	4.9
125.02460	8.9
126.07423	2.2
135.04544	2.8
150.03247	4.0
150.06921	4.0
151.00348	8.4
161.02458	9.1
165.02094	3.1
169.01476	7.2
194.28436	2.5
195.60339	2.7
211.77269	2.4
214.04456	2.7
243.02943	6.3
255.02959	16.7
271.02478	46.0
272.03101	4.1
299.01880	2.7
299.81961	3.0
299.99310	6.3
300.02753	100.0
301.03476	26.6
315.05124	39.5
316.05545	3.5
463.08951	14.2
477.10321	16.6
478.10654	3.0
567.45276	2.7
622.00275	3.0
639.13562	75.6
640.13599	15.3
701.37683	12.1
702.38184	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	702.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97624	2.3
59.01363	3.0
61.98837	8.7
67.79796	2.8
69.12528	15.5
69.12942	7.2
83.01451	2.5
88.98808	4.3
98.21764	4.9
125.02460	8.9
126.07423	2.2
135.04544	2.8
150.03247	4.0
150.06921	4.0
151.00348	8.4
161.02458	9.1
165.02094	3.1
169.01476	7.2
194.28436	2.5
195.60339	2.7
211.77269	2.4
214.04456	2.7
243.02943	6.3
255.02959	16.7
271.02478	46.0
272.03101	4.1
299.01880	2.7
299.81961	3.0
299.99310	6.3
300.02753	100.0
301.03476	26.6
315.05124	39.5
316.05545	3.5
463.08951	14.2
477.10321	16.6
478.10654	3.0
567.45276	2.7
622.00275	3.0
639.13562	75.6
640.13599	15.3
701.37683	12.1
702.38184	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	703.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90320	0.8
57.10471	0.8
69.28516	2.0
69.28924	4.9
72.99319	13.0
81.07108	1.5
97.06614	0.8
99.08170	5.9
100.83738	0.7
113.06119	2.5
115.07662	44.1
116.07992	1.7
129.05591	24.7
130.05896	1.2
143.07156	15.0
144.07487	0.9
159.06689	3.6
162.72435	0.8
203.43449	0.7
205.07190	100.0
206.07559	4.7
300.99841	0.8
335.08725	0.7
373.90704	0.9
479.04575	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	703.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67813	1.5
58.42922	1.4
59.01367	2.3
63.56680	1.3
67.01910	1.7
71.01374	5.6
71.26511	2.4
79.01885	1.6
83.01373	1.8
95.01407	3.1
96.96027	58.9
97.02972	1.8
101.02447	2.0
107.01409	13.9
110.70979	1.5
111.00901	2.5
113.02477	2.6
121.03011	3.2
122.03795	1.5
123.00890	13.1
124.01696	3.2
125.02467	73.0
126.02806	3.5
133.02983	3.0
134.03758	35.4
135.04562	8.6
137.02467	8.6
139.00397	5.6
139.03990	4.4
140.01147	3.1
149.02461	2.3
149.06102	10.9
150.03271	12.9
151.00357	9.4
151.03970	6.6
161.02449	1.3
165.01923	1.6
165.05626	7.5
166.99889	2.1
167.03523	4.3
168.00627	5.1
169.01451	91.3
170.01828	4.6
178.02719	23.0
179.03508	12.8
183.02986	4.4
193.05089	30.4
195.06668	2.2
200.98091	1.4
211.02461	3.0
274.73163	1.8
282.08875	1.9
289.07184	1.7
313.05701	36.6
314.06076	2.5
324.57526	1.7
444.03787	1.9
491.11911	3.3
509.13058	100.0
510.13217	13.3
523.15308	1.8
703.18787	67.0
703.31250	3.1
704.19263	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	703.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01336	2.4
61.98837	4.6
65.00317	0.5
67.01850	1.7
69.02104	6.0
71.01360	1.3
79.01844	0.9
82.05243	0.5
87.64591	0.6
95.01408	5.1
97.02901	0.9
98.21717	1.1
107.01344	1.7
111.00889	2.6
121.02940	0.7
122.06076	0.9
123.00902	16.3
124.01645	1.5
125.02466	14.4
127.00356	1.1
135.04468	0.7
135.15825	0.5
136.98750	2.3
137.02394	1.8
139.00424	5.4
139.03949	2.0
140.01198	3.6
141.01849	2.5
150.03183	0.9
151.00331	1.9
151.03969	0.7
155.03520	0.7
160.01633	1.0
162.03194	0.9
162.54085	0.6
166.99878	5.6
168.00664	4.3
169.01463	9.8
177.05536	0.9
181.01328	0.9
182.01926	0.6
183.02908	2.4
195.02950	1.4
228.13919	0.8
241.09760	1.8
256.12210	1.1
271.14444	2.5
272.14224	0.6
298.08112	0.7
298.11285	0.7
301.03403	0.6
310.08569	0.7
315.13492	1.8
323.09192	0.8
324.09976	0.8
341.10291	3.4
342.11066	4.9
343.11356	0.8
355.12924	2.2
356.12747	1.5
357.13428	2.7
370.10632	1.4
422.09814	0.7
437.12527	1.5
465.11777	1.1
475.10376	5.2
476.10956	1.7
479.13501	0.8
493.11407	10.1
494.11667	1.6
507.12723	0.9
508.13727	11.1
509.14352	1.6
523.16162	100.0
524.16492	19.1
574.00879	0.7
703.22479	19.7
704.22894	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	703.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.0
61.98825	1.5
65.03967	2.0
67.01890	1.6
69.03450	2.3
69.11401	0.5
71.01378	1.6
71.27410	0.6
78.93423	0.5
78.95903	1.0
81.03466	16.3
82.03826	0.5
83.01382	1.0
83.05025	1.3
88.84514	0.5
91.05559	0.6
93.03463	2.2
95.05035	4.0
97.02988	1.8
105.03489	0.6
107.05058	6.4
109.02980	1.1
117.03491	1.2
125.02460	45.9
126.02798	2.4
132.02191	0.7
133.02972	16.9
133.06619	2.1
134.03833	3.5
135.04539	23.6
136.04854	1.2
136.81993	0.5
137.02467	2.1
142.06009	0.5
144.94565	1.1
145.98062	0.5
147.35370	0.5
151.04025	21.3
152.04353	1.3
161.02457	100.0
162.02834	6.5
177.05595	15.7
178.05919	1.2
179.03514	9.2
179.22047	0.5
205.05118	1.7
210.21468	0.5
211.13458	0.8
221.19070	1.3
241.07187	1.2
243.46608	0.5
246.75357	0.5
283.19199	1.1
299.22363	5.2
325.23846	1.1
327.21771	1.5
335.22226	1.0
353.23447	1.7
361.23691	1.2
379.24918	1.5
415.27106	0.6
443.24246	1.0
445.22479	1.1
461.25470	10.0
462.25687	2.0
469.26346	0.7
487.27106	1.8
489.24942	8.1
490.25281	1.2
506.04105	0.5
515.26514	10.8
516.26630	1.6
523.27051	1.1
524.27020	0.6
533.27625	6.7
534.27881	1.5
539.30109	0.7
541.28113	13.2
542.28192	3.6
559.29102	13.5
560.29614	3.7
577.30200	15.6
578.30383	4.4
593.29681	0.7
605.31097	0.7
623.32434	2.5
624.32886	0.6
641.33630	1.8
649.30444	2.3
659.34576	1.8
667.31122	3.8
685.32288	3.7
686.32367	1.3
703.33441	11.0
704.34070	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	704.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98543	0.2
69.07874	1.3
72.48700	0.2
81.88467	0.1
82.79671	0.1
84.06312	0.1
103.33335	0.1
103.45988	0.1
118.91798	0.1
129.69974	0.1
135.04559	0.2
136.01674	0.4
145.03011	0.4
151.04015	0.7
232.28522	0.1
312.12512	0.2
332.50754	0.1
641.25757	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	704.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00806	0.2
58.11633	0.2
61.98838	100.0
71.26518	0.4
73.37316	0.2
74.87601	0.2
75.88570	0.2
100.84427	0.2
117.03493	0.3
123.04581	0.4
125.02514	0.4
136.01741	0.8
145.02995	1.0
149.02501	0.2
150.03287	0.4
151.04004	1.1
165.05652	0.5
177.36719	0.2
303.33887	0.2
312.12680	0.4
328.11780	0.3
333.73410	0.2
334.40060	0.2
641.25775	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	704.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.0
70.01260	0.3
87.36920	0.3
93.03447	0.7
108.02197	0.6
109.02935	0.7
119.05064	0.5
121.02989	1.1
122.03761	3.3
125.02482	0.9
133.02980	0.9
133.05331	1.0
134.03741	2.2
135.03505	0.6
135.04536	12.6
136.01675	0.9
136.04912	0.5
136.07664	0.5
137.02437	0.8
137.07857	0.4
145.02962	0.7
147.04567	2.2
148.05321	37.6
149.02438	5.4
149.05818	1.6
150.03238	17.4
151.03889	1.6
160.01704	0.5
161.02419	0.8
162.03265	0.4
164.04709	0.7
165.01866	0.4
165.05580	15.7
166.05968	0.9
169.01437	1.0
175.04051	1.4
176.03546	3.8
177.04262	1.5
178.05107	23.1
179.05399	1.1
180.04321	0.9
184.54918	0.4
190.05112	9.2
191.05492	0.4
195.06622	8.3
195.08295	0.5
196.06845	0.7
196.44128	0.4
246.55771	0.4
253.08792	0.9
275.02002	0.4
297.10065	10.5
298.10538	1.7
300.02704	0.8
301.03094	0.5
311.11789	0.7
312.12436	100.0
313.12778	12.1
326.13995	0.8
337.81030	0.4
343.11844	1.3
373.12894	0.7
460.17712	1.5
508.19818	1.7
596.22827	0.7
641.13898	0.6
656.25275	2.7
657.24426	0.5
686.26074	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	704.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25402	0.2
61.98835	100.0
69.63131	1.0
98.21848	0.3
98.22395	0.4
121.40211	0.2
129.09717	0.2
140.49063	0.2
151.10451	0.2
189.68169	0.2
209.12077	0.2
346.70700	0.2
390.94614	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	704.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
66.66141	2.0
69.66007	2.1
71.27520	2.5
78.95890	5.8
80.35024	1.8
84.57590	1.9
88.31251	2.0
115.62371	2.1
125.02448	1.9
134.22446	2.0
144.43407	2.0
263.30954	2.5
304.73279	2.1
343.38071	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	705.094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02407	2.4
65.00329	4.7
65.00652	0.9
69.02170	4.1
69.02598	4.2
76.61751	0.9
83.01411	3.6
98.21818	1.7
107.01405	9.5
109.02986	1.7
113.61488	0.9
116.99886	0.7
119.63692	0.8
121.02949	8.2
125.02473	3.7
133.36572	0.8
135.04546	0.8
137.02501	0.9
142.64507	0.7
149.02477	1.3
151.00386	37.7
152.00732	2.7
159.04543	1.4
163.00366	2.3
164.01193	1.4
164.06097	0.9
165.58339	0.8
169.01448	5.8
175.04053	1.0
175.74673	0.9
178.99879	17.1
191.03540	1.9
193.01497	1.0
229.05046	1.4
242.86923	0.9
245.04596	1.5
255.02869	1.5
257.04739	1.0
263.02008	5.0
271.02579	1.3
273.04041	1.7
289.07199	1.4
300.02655	0.9
301.03561	100.0
302.03998	9.3
313.05994	1.2
366.92340	0.9
386.54556	0.9
441.08258	1.3
463.08374	1.0
545.95587	0.9
615.09991	18.8
616.10236	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	705.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
64.93021	1.7
70.93983	1.6
71.01392	2.6
72.85352	2.5
83.01421	2.1
85.95942	1.8
87.82876	1.7
96.96017	5.4
97.05453	1.8
98.95590	3.6
99.92548	2.0
106.78094	1.7
107.01440	8.5
109.02968	2.2
123.00902	6.0
124.01688	2.5
125.02460	30.9
126.02757	1.8
139.00392	3.4
150.03206	2.4
151.00368	13.5
163.00414	2.5
167.03456	2.7
168.00648	4.7
169.01428	35.8
178.02757	2.4
178.99898	3.4
182.76228	1.8
195.06560	1.8
211.02448	9.6
227.03395	3.6
243.02910	2.9
255.03073	14.5
269.17606	2.0
271.02338	28.1
271.04797	6.8
272.02985	3.4
282.72388	2.0
296.73767	2.2
299.99365	4.2
300.02774	76.7
301.00018	3.3
301.03436	36.9
313.05655	6.7
331.06735	4.1
343.12100	3.0
463.08942	20.6
559.80231	2.0
582.98914	2.0
615.09973	100.0
616.10150	19.3
625.25519	2.0
705.20514	15.1
706.20856	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	705.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32584	0.9
83.01411	1.0
95.95216	1.4
97.02911	1.2
106.75475	1.2
107.01365	1.5
107.05027	6.9
109.02977	5.2
117.03418	1.4
119.05025	3.1
121.02960	1.7
121.41222	1.2
123.04530	3.4
125.02464	43.7
126.02795	2.0
134.56873	1.0
135.04518	8.6
137.02411	4.9
145.02962	5.8
147.04520	3.3
149.02486	1.9
150.03143	1.0
151.04033	3.9
153.05605	6.0
159.04532	1.2
161.06126	1.7
163.04028	6.0
168.00655	1.7
169.01439	77.3
170.01794	3.8
173.02393	4.0
175.03957	1.7
176.01155	1.6
179.03433	1.3
187.16739	1.1
190.02711	7.3
191.03513	61.7
192.03859	3.2
193.01469	2.7
197.42482	1.0
197.62718	1.1
203.07164	2.9
205.05058	2.8
206.05215	1.0
206.62674	1.2
219.03014	18.8
237.23013	1.1
242.10432	1.3
245.08067	6.1
263.01978	100.0
263.06259	2.6
264.02356	7.5
271.06213	3.3
289.07224	31.1
290.07574	3.1
303.05124	1.8
331.04526	1.6
423.07425	1.1
441.08289	28.2
442.08649	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	705.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	23.2
61.98831	18.7
69.09721	100.0
70.75111	9.2
71.01409	12.7
71.77786	10.2
79.08172	11.1
98.84850	10.8
108.39243	10.3
125.02451	31.9
169.01430	23.7
189.01883	15.1
217.01460	20.5
229.01454	19.7
235.02260	10.9
245.00966	30.5
247.02402	18.4
259.99466	12.5
270.98785	34.9
273.00424	32.5
298.98242	52.4
299.99060	20.9
300.99835	26.0
331.12115	10.2
492.74100	10.9
523.49188	12.3
659.15991	13.6
669.14917	69.3
687.15399	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98611	4.9
59.01381	17.3
71.01389	6.4
71.25100	7.5
87.00875	6.5
95.01409	5.7
98.22163	6.1
108.21954	5.8
117.03485	7.4
123.00887	10.7
125.02470	25.4
127.24071	4.8
129.40050	5.4
145.02980	10.0
161.02493	12.1
163.00407	7.9
169.01472	25.0
171.00954	5.8
173.02461	8.8
187.00291	8.4
189.01944	11.4
191.03493	15.9
201.01967	15.0
214.99907	13.1
217.01491	17.8
226.99823	8.7
229.01395	16.7
230.99431	6.3
242.99403	12.8
245.00864	18.7
247.02443	16.8
259.99557	9.6
270.98825	44.3
271.99469	6.6
273.00418	23.3
298.98392	80.4
299.99103	21.5
300.99841	19.7
437.10211	6.0
561.17072	5.6
643.16559	12.2
659.15704	15.9
669.14880	100.0
670.14777	18.2
687.15955	39.8
705.07318	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	705.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49244	1.1
58.00288	1.2
59.01379	2.6
61.48592	1.0
65.01643	1.0
71.01360	3.2
72.23505	1.0
73.79884	1.0
84.00558	1.0
85.02958	2.8
86.31390	1.1
87.00903	1.1
101.02434	1.8
113.02457	2.5
117.03474	27.8
119.05048	38.6
120.05352	1.6
125.02448	3.7
132.02187	20.3
133.02974	2.5
134.03746	12.0
135.04623	2.2
145.02969	96.3
146.03291	5.0
147.04501	1.3
148.05257	2.6
149.06081	2.7
150.03258	1.7
151.04034	1.4
160.01678	84.8
161.02472	9.5
163.04041	27.2
164.04372	1.2
169.01445	1.9
175.04025	100.0
176.04369	5.7
178.02760	1.5
178.05061	2.0
179.03464	1.8
193.05112	12.4
217.05150	1.6
229.86105	1.3
235.06128	6.5
289.07242	2.1
307.08304	6.0
307.26941	1.2
312.12469	4.9
313.12689	3.1
323.07639	1.2
380.18304	1.2
451.12753	1.4
469.13519	6.2
483.12878	2.0
487.14474	6.8
511.14325	3.2
517.15527	1.4
529.15533	11.2
530.15729	1.8
643.20105	5.2
645.18384	9.8
646.18951	2.3
663.19238	19.6
664.19788	5.4
705.20221	23.2
705.31409	2.2
706.20465	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	705.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.0
61.98835	54.5
62.16580	3.9
63.07763	3.8
71.01392	38.6
80.96516	4.8
87.00873	4.1
98.21993	20.6
109.06556	7.6
163.11256	5.5
171.10292	6.9
197.11826	4.7
199.13342	5.3
205.12383	4.8
207.10323	21.3
209.11873	79.6
210.12215	7.3
211.13380	41.7
212.13828	4.6
223.13416	100.0
225.11348	11.7
227.12910	32.6
228.13235	4.1
235.08228	9.0
243.12518	5.1
252.93501	3.9
253.09302	17.6
339.57950	4.4
366.98459	4.1
389.35861	4.6
459.22534	24.6
460.22467	5.3
563.79285	4.9
673.34650	7.7
705.32220	31.9
706.32831	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	705.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25224	0.9
59.01381	2.5
60.64297	1.1
61.98832	0.9
67.38937	0.9
71.01377	2.2
81.03463	1.1
83.05022	4.4
84.02163	0.9
85.02943	1.5
89.02448	1.0
90.67393	0.9
95.30642	0.8
98.21774	1.8
98.22466	3.7
101.02443	2.0
113.02470	1.4
134.08128	0.9
141.42717	1.0
158.13351	1.0
159.10231	1.2
163.11296	4.1
165.12874	2.8
171.10141	1.1
199.13474	1.5
206.88696	0.9
209.11845	100.0
210.12122	6.3
227.12881	15.5
228.13351	1.2
228.71082	1.2
235.08263	1.4
253.09256	6.6
255.71608	1.0
259.15549	8.2
396.68216	1.0
445.20819	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	705.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
61.98835	100.0
64.34539	0.4
71.01397	1.9
71.27417	0.5
71.78078	0.5
80.96522	0.5
82.21381	0.4
83.05041	1.2
87.00871	0.6
89.02467	1.1
101.02483	1.5
111.78495	0.5
113.02478	0.6
163.11375	1.5
165.12885	2.2
171.10336	0.8
176.16286	0.5
183.13914	19.0
184.14328	1.2
197.11984	0.5
199.13492	0.5
207.10455	0.5
209.11845	25.0
210.12286	1.9
211.13539	1.3
225.11423	1.2
227.12923	3.7
235.08279	0.7
253.09480	1.4
445.21060	0.5
463.22086	0.8
536.93829	0.5
655.33954	0.5
673.34442	17.9
674.35150	3.6
705.37018	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	705.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
60.49638	0.7
61.98824	1.4
70.14704	1.5
70.15068	1.5
71.01386	2.0
80.02692	1.1
83.05038	5.1
84.02199	0.9
89.02465	2.2
95.05022	0.9
98.22256	1.3
101.02474	2.0
113.02481	0.9
117.42454	0.7
163.11345	3.5
165.12869	1.8
171.10274	3.0
199.13411	1.0
201.11383	0.8
202.66396	0.6
207.10361	0.9
209.11847	100.0
210.12141	7.0
211.13463	1.0
227.12889	14.8
228.13210	0.7
235.08318	1.6
241.14433	1.1
253.09325	5.7
259.15430	4.6
445.20901	1.1
673.34412	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	706.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	24.6
63.91782	1.7
94.06649	3.4
104.05106	1.7
105.05877	1.7
107.03785	5.8
120.08212	17.8
121.08535	2.1
122.06127	66.4
124.07644	2.2
125.02496	3.9
132.04584	2.4
134.06134	7.5
134.16365	1.7
139.02742	1.9
150.05684	1.6
152.07184	65.4
153.07513	2.1
160.04008	2.0
164.07178	1.9
169.01427	4.7
171.10338	2.0
174.05670	1.6
190.05078	4.4
201.11389	1.5
209.11829	4.5
211.12207	2.0
223.08716	6.0
224.09628	1.7
225.10161	1.7
235.12442	4.0
237.10342	8.3
238.11101	2.8
239.11876	7.0
245.12968	3.5
249.06587	1.7
251.08353	3.7
251.11899	6.1
263.08298	3.8
264.09021	7.9
265.09756	5.5
267.11279	2.2
271.11087	2.1
277.09827	1.9
278.10342	3.8
279.11404	25.3
280.11844	5.2
283.11145	2.0
291.11465	5.5
295.10840	3.3
309.20932	2.3
323.10385	5.8
324.11053	2.7
325.11926	2.8
355.13226	2.1
402.18298	9.3
403.18835	2.8
404.19901	2.2
444.19357	7.9
445.19785	3.2
446.17224	2.1
448.18784	4.8
459.17447	1.9
461.19669	2.5
488.18262	8.6
489.19040	10.6
520.20752	15.0
521.21179	3.6
567.26129	21.9
568.26306	6.2
611.25110	100.0
612.25433	22.7
642.83038	2.1
643.27728	68.7
644.28015	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50923	0.2
59.01387	0.4
61.98834	100.0
62.98539	0.3
69.54700	0.3
69.55103	1.0
71.01379	0.5
77.40459	0.2
83.05061	0.2
88.98838	0.4
98.21793	0.2
101.02478	0.3
156.13918	0.2
165.12909	0.5
165.63968	0.2
166.13283	0.3
183.13930	3.0
184.14264	1.2
185.11768	0.3
195.85042	0.2
197.11961	0.5
199.13423	0.3
207.10432	0.3
209.11847	4.2
209.13736	0.3
210.12195	1.9
225.11311	0.4
227.13010	0.9
228.13258	0.3
235.08249	0.4
253.09174	0.2
546.36444	0.3
595.43158	0.2
673.34094	0.3
674.34741	4.3
675.35553	0.7
706.37177	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	707.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
56.91343	1.2
57.03449	14.0
59.01377	4.2
71.01395	1.9
71.26380	1.5
71.26758	2.0
83.01385	1.4
84.02164	1.9
85.02959	99.4
86.03291	1.9
92.98678	1.3
109.02970	1.9
111.00888	2.6
115.00350	1.5
129.01956	40.6
130.02307	1.9
133.02980	1.6
135.04529	18.2
146.51859	1.3
147.02988	11.2
161.02457	3.5
173.00923	32.2
179.03513	9.9
191.01994	100.0
192.02339	3.5
209.03065	3.4
243.06581	1.8
271.09598	1.3
275.02161	2.4
287.03122	1.5
300.99875	3.2
316.93311	1.3
348.69116	1.3
353.05167	13.5
353.97479	1.3
354.05579	1.6
359.07648	2.0
372.81406	1.2
683.32147	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	707.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03458	15.5
59.01370	3.2
69.81693	1.7
71.01402	2.0
71.26653	2.0
77.50127	1.8
83.01410	2.3
84.02168	2.8
85.02961	100.0
86.03313	3.5
100.27209	1.7
101.00330	1.8
103.68965	2.1
109.02994	5.0
129.01932	9.1
133.02974	14.5
134.03789	2.6
135.04552	35.2
136.04842	3.8
145.03078	2.0
147.03020	54.3
158.26366	1.9
161.02467	68.4
162.02856	3.8
163.04041	3.8
168.50496	1.7
173.00912	8.1
179.03523	26.2
191.01996	29.0
191.03622	3.1
209.74738	1.6
228.35635	2.0
247.06197	14.8
300.99957	2.1
309.06210	3.5
316.39941	2.0
353.05188	72.6
354.05554	7.4
373.46033	2.5
456.18311	2.0
465.62079	1.7
494.26218	1.8
617.53040	2.7
690.27283	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	707.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
59.01389	11.7
67.01881	0.6
68.99825	1.3
69.42554	4.0
71.01388	15.3
72.99320	3.1
73.02956	1.0
75.00882	11.5
75.30442	0.5
79.51147	0.5
83.01397	1.2
83.85996	0.5
85.02961	17.7
87.00887	6.8
89.02457	4.1
90.93598	0.6
91.04976	0.8
91.05534	9.4
91.06076	0.8
92.05867	0.6
95.01413	3.9
98.21851	1.2
99.00899	7.6
103.00380	2.4
113.02464	21.2
114.02784	0.7
115.00364	1.4
117.01929	1.8
117.03467	3.0
117.21147	0.5
129.01942	2.0
131.03488	0.9
135.04538	3.9
157.01424	0.6
175.02466	1.9
207.05182	1.1
228.76997	0.6
231.05186	1.6
249.06163	23.3
249.08752	1.2
250.06522	1.3
267.07227	69.6
268.07596	3.8
385.11429	100.0
386.11771	12.3
652.77515	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	707.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
71.01395	0.9
71.25172	1.1
84.50735	0.6
85.02954	1.3
88.98817	0.7
92.05077	2.6
95.01408	0.8
98.02490	1.3
98.22191	1.1
107.01372	0.9
111.03282	0.8
113.02425	0.9
123.00914	1.2
125.02470	1.9
129.03441	0.7
130.06667	0.8
136.04088	2.1
144.50601	0.7
145.03006	0.9
147.04535	0.7
161.02486	1.0
163.00401	1.7
164.07133	1.3
165.01880	0.7
169.01448	2.7
173.02446	1.7
173.07263	1.5
174.05650	1.3
184.07576	1.1
185.02414	2.4
190.02638	0.7
199.05200	1.1
201.01935	2.3
202.08766	0.8
203.03450	1.5
217.01410	1.8
218.04657	1.5
229.01437	4.3
231.03082	0.8
245.00908	2.3
246.07828	1.6
247.02504	1.5
257.00754	3.8
275.01816	3.7
283.99612	2.0
299.99045	2.5
300.99930	100.0
302.00247	9.0
321.12433	1.1
365.11545	2.5
368.02271	1.3
368.53094	0.9
383.12439	5.3
424.50281	0.7
463.08676	0.7
587.29810	1.0
621.27484	0.7
651.91254	0.7
689.17139	17.1
690.17871	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	707.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.7
61.98835	40.5
66.08833	6.4
69.01244	13.5
69.01643	54.9
70.56960	5.5
71.01387	15.2
72.37563	5.8
75.30521	6.3
80.35943	6.7
86.74942	6.0
87.00862	6.5
89.02412	6.9
92.86030	6.5
99.00906	7.1
109.06586	15.2
113.02428	6.7
150.43523	6.0
158.31265	7.2
163.11311	13.2
166.76534	6.3
178.80716	6.1
181.93999	6.1
197.11858	14.2
207.10271	43.4
209.11855	100.0
225.11383	29.6
227.12808	20.9
228.13129	11.5
235.08099	8.8
253.09438	17.4
271.49161	6.7
309.20798	31.7
314.10233	10.8
397.13330	9.0
461.20370	8.2
557.59448	6.5
635.30780	20.4
653.31604	15.7
654.32501	7.8
671.32538	25.4
672.33014	8.1
707.30518	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40894	2.2
59.01386	19.0
61.98830	5.2
67.58794	2.4
69.11346	16.9
71.01385	21.0
73.02931	2.5
85.02962	4.5
87.00893	4.3
89.02458	14.7
95.01424	2.0
97.02946	3.0
98.21895	4.9
98.22559	4.9
101.02443	12.7
109.06609	2.8
113.02478	5.8
119.03539	4.7
125.02495	6.5
160.84283	3.7
161.04596	4.5
163.11346	6.8
165.12929	5.1
171.10301	12.2
181.12343	3.2
197.11769	3.3
201.11385	4.3
207.10291	2.9
209.11850	36.8
210.12204	3.1
225.11404	3.3
227.12935	9.2
235.08229	6.4
247.20679	7.7
253.09363	6.1
268.15778	2.1
291.19687	64.8
292.20053	7.4
301.00067	3.1
309.20740	100.0
310.21152	8.1
397.13470	20.1
415.14603	22.8
490.22571	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	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03435	0.9
58.00576	1.2
59.01090	1.2
59.01385	18.7
68.68464	0.6
69.03436	1.0
69.11024	1.4
69.11429	4.4
71.01389	14.8
72.99290	1.4
73.02942	2.3
81.64304	0.6
83.01381	1.4
83.05036	0.9
85.02956	3.5
87.00886	2.5
89.02454	14.0
95.01404	1.1
97.02942	2.0
97.06614	1.0
98.22396	2.3
101.02454	11.4
109.26765	0.6
111.00906	0.7
113.02457	5.3
113.09727	1.9
115.07616	1.1
119.02252	0.7
119.03529	5.5
125.02432	3.7
126.23674	0.6
127.07516	0.7
141.09251	1.5
143.03487	1.9
151.11116	0.6
156.66991	0.7
161.04488	3.1
165.12857	2.6
167.03625	0.8
167.14406	1.5
179.05670	3.7
181.12363	2.9
190.93498	0.7
191.58034	0.7
193.12300	1.1
195.13943	3.1
197.11835	0.9
209.11823	5.8
210.12196	3.2
211.13554	3.4
221.06650	1.1
221.15509	2.4
235.08229	3.7
241.14427	1.0
247.20644	3.4
253.09367	1.7
273.18649	2.5
281.21198	1.0
291.19681	30.9
292.19968	3.4
305.08679	0.6
309.20740	100.0
310.21039	11.0
311.22067	0.7
397.13535	18.6
398.13846	2.4
412.42792	0.7
415.14563	15.7
416.14841	1.5
531.82758	0.7
638.28088	0.9
695.63538	0.7
707.35193	11.5
708.35370	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	707.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70863	18.2
72.80256	3.8
78.95903	30.4
83.34818	3.4
124.68042	3.9
130.98364	3.6
144.59451	4.0
152.99603	33.9
171.00566	4.0
183.13911	5.8
193.12369	4.3
211.13394	81.8
212.13741	8.4
253.21649	29.2
439.17581	8.3
471.20078	100.0
472.20352	18.3
633.41998	3.9
675.38208	4.8
707.41248	32.0
708.41663	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	707.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27654	1.4
58.80460	1.4
59.01388	3.6
69.68790	8.4
71.01385	3.7
73.02088	1.4
85.02982	1.6
89.02490	1.4
101.02412	3.0
113.02470	1.8
117.09280	1.9
138.93881	1.6
161.04404	1.7
166.55951	1.5
183.13905	8.0
193.12509	1.8
211.13416	86.9
212.13742	6.2
235.08264	4.5
245.44917	1.5
253.09250	6.6
277.21738	100.0
278.22061	14.4
330.09433	1.5
363.75531	1.8
447.22284	1.9
473.53021	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	708.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
58.02982	1.5
69.03458	1.3
69.11478	3.4
72.00920	0.5
74.74318	0.3
81.03472	0.5
90.59859	0.3
95.05030	0.3
97.02979	1.0
100.33975	0.3
103.59485	0.4
107.01375	0.6
109.02946	0.7
119.39166	0.3
119.85590	0.3
121.03041	0.3
123.00934	1.0
125.02464	52.1
126.02821	1.4
137.02458	1.5
139.04021	0.8
147.04538	3.9
161.02469	3.4
162.02806	0.5
162.66245	0.3
164.07198	6.8
165.01868	0.9
167.03526	1.1
168.00577	0.5
169.01447	100.0
170.01758	4.2
177.05579	0.8
179.03554	0.5
193.01408	1.9
206.08253	9.3
219.06718	0.5
245.84071	0.4
261.07712	0.4
269.04578	1.0
287.05649	1.8
305.06729	4.7
319.04575	0.4
331.04474	1.3
337.14877	0.5
457.07788	7.6
458.08023	1.0
459.03299	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	708.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77763	0.2
57.03456	2.1
58.02982	1.2
67.01897	0.3
69.03467	0.9
69.11768	0.8
69.12197	1.4
70.02972	0.3
81.03475	0.7
83.01416	0.2
94.30524	0.2
95.01400	0.5
95.05092	0.3
96.96032	0.3
97.02970	1.3
102.93763	0.3
105.03496	0.6
107.01391	0.4
109.02979	0.6
111.00809	0.3
121.02975	0.3
123.00891	0.8
124.01679	0.5
125.02462	56.5
126.02817	2.2
137.02463	1.8
139.04033	0.4
141.03700	0.2
147.04582	1.2
149.02496	0.3
161.02444	3.7
164.01161	0.4
164.07188	3.2
165.01953	1.1
166.99843	0.3
167.03506	1.5
169.01445	100.0
170.01776	4.1
177.01959	0.3
177.05539	0.4
179.03545	1.1
193.01454	1.7
206.08244	3.8
207.08575	0.4
219.06575	0.8
225.05557	0.3
269.04602	1.2
287.05676	1.6
305.06702	5.1
306.07022	0.5
319.04678	0.3
331.04593	1.3
332.04974	0.3
380.50720	0.3
457.07788	8.8
458.08163	0.7
559.13831	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	708.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
61.98823	2.5
64.53022	0.6
69.03457	1.7
71.01377	2.7
76.87089	0.6
78.19141	0.7
84.79691	0.6
89.02452	1.0
89.39721	0.7
98.21742	1.6
101.02436	1.4
107.21425	0.7
108.97029	0.7
149.09691	0.7
160.61841	0.6
161.30048	0.7
167.10762	3.1
179.10785	1.1
179.14438	2.9
195.13943	8.8
200.39958	0.7
205.12361	8.6
206.12700	0.8
223.13412	100.0
224.13817	7.1
229.16098	1.0
235.08250	3.0
253.09364	5.8
274.81021	0.8
392.82495	0.8
411.25360	1.4
441.21524	2.3
459.16306	1.3
459.22449	14.9
460.22858	1.4
481.36884	0.7
590.22504	0.9
647.34460	1.8
665.35352	2.5
699.73865	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	709.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31844	0.6
51.85763	0.5
61.98817	2.5
63.02396	0.7
65.00318	1.5
83.01400	0.8
107.01408	2.7
108.02187	1.3
109.02945	1.2
110.15016	0.8
121.02976	1.3
123.00855	0.6
125.02444	1.8
135.00877	0.8
135.04486	1.0
136.01643	1.5
141.90662	0.5
145.02937	0.7
148.01726	1.6
149.02530	0.7
151.00385	10.4
151.03996	1.8
163.00403	2.5
164.01186	1.1
169.01385	1.6
171.04546	0.7
175.03998	0.7
178.99913	5.6
199.04047	0.9
211.04001	1.0
215.03357	0.6
216.04271	1.0
226.02766	1.9
227.03494	3.4
228.04021	0.6
229.04999	0.9
243.00679	1.0
243.03015	11.1
244.03448	1.0
245.04607	0.9
254.02242	1.9
255.03029	29.2
256.03357	2.1
271.02505	60.6
272.02954	7.2
273.03973	1.2
298.10944	1.1
299.02112	1.7
300.02783	100.0
301.03494	42.4
302.03906	3.0
342.13498	0.7
343.04675	0.7
367.38519	0.6
463.08908	28.6
464.08984	3.7
709.21411	67.0
710.21747	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	709.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71267	2.4
61.98829	4.2
69.81384	12.2
71.01376	5.9
78.95920	3.0
89.02487	3.8
125.02466	5.3
135.80449	2.5
169.01448	7.7
171.10307	4.7
176.71429	2.6
181.12363	2.5
189.03796	3.2
194.73849	2.6
209.11847	100.0
210.12178	11.1
211.13397	4.6
213.15004	5.9
215.28171	2.3
225.11365	3.1
227.12921	30.0
228.13269	2.7
253.09354	5.2
309.20953	3.7
333.20505	2.6
354.48114	2.5
391.00400	2.3
445.20889	5.4
637.32404	4.3
655.33746	3.7
709.32233	19.6
710.32697	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	709.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80304	55.0
63.21260	53.5
66.46258	53.6
71.27248	100.0
79.43011	52.6
93.36070	55.0
122.24265	57.6
208.07535	63.1
211.13533	68.3
255.10088	60.3
369.34824	70.4
438.95401	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22100	44.1
61.98837	50.1
67.41866	41.8
70.17776	40.9
71.25808	90.2
127.85030	46.8
209.97263	42.5
211.13353	100.0
289.31790	46.7
448.97531	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.8
87.44212	4.3
96.29385	4.6
98.22172	37.2
183.13976	8.6
185.64043	4.0
199.09676	8.0
211.13406	100.0
212.13712	10.1
233.11632	5.6
235.08299	5.1
253.09244	5.0
293.21237	5.3
447.22260	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	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32367	26.1
56.96809	21.2
65.03456	22.3
71.26811	37.4
97.41631	24.3
169.12399	51.7
169.54697	21.8
277.21686	100.0
307.48508	24.8
335.22754	24.2
452.84579	25.1
548.49524	25.1
690.66595	25.2
709.40863	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06710	28.8
56.49840	24.2
78.95911	53.7
94.44416	25.2
94.86761	28.3
152.99583	41.5
158.13443	30.6
171.10297	96.9
201.11395	31.6
236.23495	27.9
248.69312	29.7
255.23384	98.9
277.21756	100.0
498.17886	26.3
550.68939	33.4
559.07092	34.0
693.39423	38.4
711.41296	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11449	17.1
59.47784	17.8
65.20510	17.6
78.95902	44.8
83.67603	18.7
88.04388	16.8
152.99646	53.1
171.10309	100.0
201.11363	18.5
201.92769	18.5
255.23309	87.9
267.20938	21.6
277.21835	39.0
286.85013	18.2
308.05405	16.6
356.34836	17.6
379.32492	23.0
554.66248	19.9
711.40527	32.2
742.98517	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	711.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	14.9
59.01374	6.9
70.75736	18.8
71.01372	8.4
78.64075	7.0
85.02955	100.0
94.32358	8.7
129.01907	11.3
133.12125	7.6
147.02974	9.5
191.01985	48.0
209.03020	72.3
210.41132	8.8
215.16267	8.0
247.48990	8.3
278.66397	7.9
293.94559	7.2
355.06589	8.4
407.89578	7.4
724.75781	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85925	0.7
57.03447	2.1
62.39043	0.7
69.03474	1.0
79.94266	0.7
81.03461	1.9
83.01405	1.1
84.79512	0.8
95.01411	0.8
95.05042	0.9
97.02941	2.3
107.01373	1.6
109.02963	7.3
111.00877	0.8
121.02946	1.4
123.00897	1.8
123.04516	4.6
125.02455	65.2
126.02769	2.9
134.61412	0.9
137.02463	7.6
139.00403	1.1
139.04042	1.3
145.03000	3.2
149.02464	1.9
150.03181	0.9
151.04051	5.2
159.04486	1.6
161.02425	0.9
161.06123	2.1
164.01135	1.0
165.01933	2.1
166.99916	1.7
168.00632	1.8
169.01442	100.0
170.01753	4.7
175.04132	0.9
179.03519	2.3
185.06099	1.1
187.04048	1.1
193.01443	4.7
203.07153	5.1
205.05055	3.6
221.08118	0.8
227.07162	1.5
235.57530	0.8
245.08209	7.1
253.04996	0.7
259.06107	1.0
271.06131	4.0
289.07208	39.8
290.07520	4.2
303.05222	1.6
322.62991	0.8
331.04648	1.9
388.94275	0.8
394.70523	1.0
441.08301	40.8
442.08621	5.3
463.41745	0.7
477.42291	0.9
527.44012	0.8
624.45435	0.9
633.10498	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	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12061	5.4
53.83901	4.7
54.35748	4.6
61.98830	12.6
69.68844	27.4
71.01379	6.6
90.17809	4.4
94.78835	4.5
98.22295	9.8
109.06647	5.9
159.65536	4.3
167.28999	5.0
197.11858	94.1
198.12225	8.0
199.13361	6.3
201.11415	5.9
209.11850	100.0
210.12154	7.9
211.13406	55.5
227.12866	46.8
235.08275	11.0
253.09236	12.6
433.20685	12.9
445.20816	12.9
447.22629	7.6
525.80780	5.5
621.32404	6.9
625.32324	9.8
639.34210	10.6
711.33728	37.6
712.33496	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	712.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93409	3.0
56.64157	3.3
62.83502	3.6
71.01403	4.2
71.26643	4.9
85.02949	5.4
95.01388	11.7
123.00907	37.7
125.02432	18.1
137.02534	3.5
139.00406	4.2
145.02953	8.2
147.04541	5.6
149.02469	3.4
157.02986	5.5
161.02423	7.3
162.22893	3.7
163.04041	8.0
166.99852	12.9
169.01439	14.7
173.02463	11.4
175.03989	11.8
189.01978	7.4
191.03511	16.0
199.00200	4.7
201.01889	17.9
203.03510	15.6
209.00937	3.8
217.04475	3.7
219.02977	9.5
226.99870	3.9
229.01393	16.0
231.02969	13.0
235.02560	4.5
241.32571	3.9
245.00880	8.8
247.02507	40.3
257.00705	3.9
263.01968	6.4
270.98981	4.9
273.00400	19.1
275.02057	5.8
291.01401	5.6
298.98276	11.8
300.99918	14.5
311.64676	4.2
446.85535	3.7
587.06329	4.2
603.06049	6.0
613.04730	100.0
614.05023	19.6
631.05902	48.4
632.05743	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	713.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.9
60.29706	1.2
64.67593	1.0
66.80096	1.0
69.03472	1.6
71.26749	1.1
79.95737	2.0
81.03475	1.7
83.01405	5.0
89.02475	1.3
93.03455	1.7
95.05056	1.1
95.05853	1.3
96.96027	46.3
97.02966	4.7
107.01424	1.5
109.02968	21.6
109.43175	1.2
116.92890	2.5
117.03427	1.2
118.26537	1.1
121.02979	2.3
123.00940	2.7
123.04532	13.6
125.02463	90.2
126.02827	3.2
133.02965	2.9
135.04558	3.6
137.02460	21.6
139.04002	2.6
145.02968	5.9
146.03770	2.9
149.02449	7.6
149.35341	1.2
151.04036	12.3
152.04436	1.1
153.01897	2.8
159.04512	6.5
160.05235	1.3
161.02484	10.6
161.06042	7.3
162.03162	3.6
163.00391	3.1
163.04030	2.8
164.01186	10.0
165.01955	8.0
167.03444	1.9
169.01451	29.4
170.01900	2.0
174.03198	1.2
175.04016	6.3
175.07610	1.2
176.04396	1.2
177.01895	9.0
179.03539	5.7
179.05533	1.1
185.06038	3.2
187.04027	7.5
188.04779	4.3
193.01379	2.0
193.76509	1.5
199.04030	1.6
201.05588	2.4
202.06294	1.5
203.03386	1.5
203.07167	13.1
205.01498	3.6
205.05028	5.8
212.04561	1.3
217.05098	1.9
221.08124	2.0
225.05586	1.7
227.03593	2.6
227.07152	5.4
228.04111	1.1
229.05078	2.9
243.02982	3.4
243.06601	1.3
245.04454	2.6
245.08195	16.5
246.08633	1.7
253.05170	2.6
255.03049	6.5
255.05403	1.1
256.03708	3.0
269.04739	1.6
271.06119	22.8
272.06604	2.8
273.07666	4.0
281.04565	2.1
285.04224	2.3
287.05612	3.8
289.07217	100.0
290.07541	10.0
297.04276	1.8
300.02930	2.8
301.03635	2.7
303.05072	3.2
311.13010	2.0
329.06595	1.7
335.70441	1.0
338.93674	1.3
339.08725	1.8
381.09836	1.3
389.06635	3.0
407.07745	44.6
407.13123	2.3
408.07947	6.1
417.10175	2.4
418.09717	1.3
425.08859	4.0
433.09195	1.2
435.10861	12.1
436.11374	1.9
441.08109	12.9
442.08591	2.0
451.10431	3.7
482.04053	1.2
543.12610	3.9
561.14319	10.4
562.14319	2.0
577.13141	2.0
587.11938	3.5
615.10266	3.4
713.15521	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	713.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	3.0
69.11584	3.9
69.11990	12.9
71.01373	2.7
82.92906	1.5
87.00868	2.9
89.61460	1.9
95.01363	3.9
109.02981	1.7
110.53499	1.7
117.03497	4.6
119.05048	3.6
121.02991	2.4
122.03740	5.3
132.02161	2.1
133.02957	7.3
135.04539	3.8
137.02437	3.5
145.02979	13.2
147.00932	2.1
147.04489	2.8
149.02502	2.2
149.06084	3.6
150.03249	2.0
150.06854	2.6
156.55768	1.7
161.02440	20.8
162.03215	3.6
163.00357	4.1
163.04044	9.3
165.01926	1.8
165.05617	2.4
169.01378	2.1
172.01694	2.1
173.02434	10.7
175.00368	1.9
175.03981	5.0
176.01181	2.0
177.01964	6.3
185.02516	2.0
187.00331	2.6
188.01202	3.7
189.01941	26.3
190.02718	10.2
190.99844	2.0
191.03505	31.5
193.01337	2.7
199.00316	2.1
201.01859	10.8
203.03433	2.8
205.01489	2.2
207.02991	2.1
208.00096	1.8
209.00912	2.6
209.04456	1.9
209.11848	4.8
211.13390	4.9
214.99864	2.6
216.00484	1.9
217.01411	34.2
218.02127	7.5
218.13039	2.2
219.02956	11.5
221.00974	3.5
227.12901	4.5
228.00427	1.6
229.01338	11.5
232.14772	2.6
233.15535	9.1
235.02498	8.0
242.99348	4.9
245.00925	41.7
246.01634	4.0
247.02512	26.3
259.99652	3.6
261.00089	3.0
263.01819	3.0
270.98773	11.5
271.99426	2.1
273.00436	100.0
274.00745	6.8
291.01505	3.2
298.98413	20.3
299.98914	3.6
300.99829	5.0
301.03296	1.8
379.06702	2.1
613.22961	14.4
614.22974	3.8
625.22845	2.4
641.22968	9.2
642.22516	3.7
651.20764	6.8
667.20410	8.4
669.21954	81.5
670.22339	19.1
695.19580	8.5
696.19958	4.3
713.34247	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	713.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29730	0.8
64.86948	1.0
65.00307	1.1
66.84201	0.8
68.56960	0.9
70.82783	1.9
71.01379	1.6
85.02985	1.0
87.00906	1.0
89.03979	1.3
90.61836	0.8
95.01337	0.9
107.05062	1.7
107.40327	1.1
109.54099	0.9
111.95833	0.9
117.03461	5.2
119.05003	2.3
121.02965	2.8
122.03758	2.0
129.03427	0.9
132.02150	1.5
133.02988	6.1
135.04530	2.1
137.02493	2.3
138.03185	1.0
142.24486	1.1
145.02980	14.9
147.00911	1.7
147.04593	4.5
149.02432	1.7
149.06084	2.3
150.03172	1.0
151.07581	1.2
157.02998	1.6
161.02454	14.6
162.03055	1.7
163.00401	3.2
163.03992	6.8
165.02020	1.1
165.05620	1.4
171.00960	1.3
172.01501	1.3
173.02461	11.6
174.03127	1.0
175.00356	1.9
175.03989	2.2
176.01109	2.5
177.01947	4.4
179.03424	1.6
187.00415	1.2
188.01115	1.8
189.01958	19.4
190.02734	10.9
191.03517	29.1
192.00726	1.3
192.03883	1.9
193.01398	2.1
197.11870	2.9
200.01236	1.4
201.01987	11.4
203.03535	3.3
205.01373	6.6
209.00978	1.9
209.11862	4.3
211.13434	2.8
216.00647	1.9
217.01436	38.8
218.02092	6.8
219.02980	9.5
220.03586	1.2
221.01036	2.5
222.01736	3.1
229.01389	9.1
230.02013	1.5
231.02975	1.7
232.14651	2.1
233.15479	7.3
234.15887	1.2
235.02496	4.2
242.99324	1.8
244.00197	1.1
245.00925	40.2
246.01404	5.0
247.02484	20.9
248.02945	1.6
259.99634	1.8
263.02081	4.2
270.98837	5.8
271.99570	1.9
273.00446	100.0
274.00787	9.4
275.02167	1.1
284.60297	1.2
298.98358	12.9
299.99017	2.7
300.99893	3.0
391.06741	1.3
435.05991	1.1
468.21384	1.0
613.22992	12.0
614.23511	3.6
625.22961	1.7
626.22833	1.1
639.20795	2.7
641.22498	12.8
642.22778	3.7
651.20837	5.0
667.20331	4.0
669.21979	52.7
670.22284	15.0
695.19550	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	713.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34772	1.0
60.99309	16.6
61.98829	8.9
69.20553	5.3
69.20975	4.7
88.98813	100.0
89.99178	1.3
98.21849	1.6
101.97687	1.2
116.92847	4.6
125.02483	1.5
136.94734	1.2
169.01462	1.3
177.18573	1.2
197.36922	1.1
279.66821	1.3
370.24838	1.3
526.66602	1.1
641.19916	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	713.397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92448	2.5
59.01383	30.8
61.98818	3.8
62.24272	2.4
69.98209	2.8
71.01393	26.9
72.99317	2.8
73.02949	4.1
78.96815	2.8
83.01408	2.9
85.02932	4.4
86.90196	2.6
87.00893	8.8
88.24547	2.4
88.36378	2.7
89.02448	28.7
97.02969	3.9
98.22568	5.0
100.98408	2.7
101.02477	22.3
110.53184	2.9
113.02473	13.5
119.03492	7.2
125.02464	10.8
143.03503	2.7
154.53676	2.7
158.38492	2.5
161.04597	6.5
171.10349	2.9
179.05626	3.7
228.64938	3.0
234.75558	3.1
235.08180	14.8
253.09340	5.8
255.23338	80.2
256.23572	4.4
287.07611	3.2
397.13525	100.0
398.13818	9.0
415.14584	24.8
416.14664	4.3
653.37067	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	713.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99764	8.7
83.07728	0.8
86.35658	0.8
97.45342	0.8
117.23912	0.8
125.02472	2.0
169.01497	1.8
208.98082	0.8
291.13553	0.8
397.66675	0.8
677.49695	3.9
713.47430	100.0
714.47809	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21600	0.8
55.29659	0.8
61.98848	5.5
67.01894	1.8
68.99821	18.5
95.01429	0.9
98.22628	1.6
100.82505	0.8
108.02188	30.4
109.02997	5.7
117.03467	3.1
121.02969	2.1
122.03743	3.2
123.00924	10.3
123.04539	31.9
124.04893	0.9
125.02470	1.6
132.02197	4.5
133.02969	2.4
134.03770	1.6
135.04565	1.0
136.01653	1.2
138.03255	17.4
145.02983	4.6
147.04568	1.7
147.64726	0.9
148.01677	1.9
150.03250	12.6
151.03941	1.3
153.05475	1.1
160.01707	3.0
161.02455	12.7
161.06113	1.4
162.03242	35.6
163.04034	13.2
163.07700	0.9
164.04523	0.9
165.01953	1.1
165.05603	3.0
167.03564	0.9
169.01384	1.1
174.06538	0.8
175.04030	1.1
176.08481	1.8
177.05592	39.8
178.02740	35.8
178.06000	2.1
179.03365	3.1
186.43382	1.0
193.05078	100.0
194.05411	5.8
195.06635	2.5
196.05461	1.0
199.59984	0.8
203.95879	0.9
212.82893	0.9
229.46809	1.3
264.07965	1.1
265.05072	1.2
296.07004	1.7
297.07715	1.1
300.02878	1.2
313.10687	1.5
326.11526	1.2
327.12512	3.0
353.12900	1.9
368.11188	1.1
425.94345	0.9
427.26318	0.9
440.11554	1.1
445.11499	1.4
455.14096	1.3
456.14731	1.9
459.13300	3.0
460.13678	5.6
461.14548	1.8
465.72733	0.9
472.14035	7.9
473.14789	1.2
474.15695	4.0
475.16306	2.8
487.16501	3.0
489.17883	4.2
490.18787	8.3
491.18796	1.5
502.18719	8.9
503.19186	1.5
536.16028	1.5
622.20477	1.4
652.22424	1.3
654.23206	1.1
684.24664	5.0
685.24438	1.8
696.24579	3.7
714.25604	54.0
715.26044	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	714.256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.7
63.26003	1.0
96.95925	1.0
108.02174	4.5
108.59184	0.9
116.92872	1.4
117.03480	2.5
119.05042	7.1
121.02952	3.9
122.03764	4.2
123.04552	9.2
128.52527	1.2
133.02953	1.1
136.01678	58.3
136.07671	2.2
137.02368	2.5
145.02979	4.9
147.04559	14.2
148.01678	3.7
149.02457	14.7
150.03238	30.3
151.04028	75.0
152.04401	3.8
153.05591	2.4
154.69501	1.2
161.02412	1.2
162.03094	1.2
163.04005	4.8
164.04842	2.0
165.05566	15.0
175.04018	100.0
176.04546	8.8
177.05634	1.7
188.04819	3.8
190.06371	24.5
191.03551	2.7
191.06807	2.0
192.06644	2.0
203.07176	1.6
204.04362	1.5
208.03796	3.6
216.04356	1.7
218.05850	35.3
219.06424	2.6
222.05359	48.7
223.05795	3.6
228.73830	1.3
231.06671	4.3
237.05370	1.3
253.05200	2.0
266.05859	2.4
271.02448	1.4
278.05841	1.8
279.06570	2.3
281.04678	3.1
281.08130	2.2
294.05475	2.4
295.09866	2.1
300.02780	2.7
301.03650	3.9
306.05261	1.7
307.05975	2.7
308.06979	1.4
309.04099	3.9
309.07742	5.4
309.41345	1.3
310.04840	1.8
313.10428	1.2
321.07745	5.4
322.07767	2.3
323.09122	6.3
324.06345	5.0
324.09955	4.3
325.07126	6.3
325.10678	1.5
328.11902	18.3
329.12256	2.1
335.09341	1.2
336.09894	2.2
337.07098	11.0
337.10617	1.5
338.07394	1.3
339.08752	12.5
340.09058	5.5
341.09961	2.1
351.08606	1.7
352.09174	5.9
354.10699	6.4
355.11899	6.8
367.11884	26.6
368.12161	3.6
383.11340	1.2
384.12109	1.7
426.11142	1.2
462.19391	1.6
473.12061	1.7
487.14651	1.2
489.16077	2.0
490.18942	1.8
503.17282	11.7
504.18671	2.3
515.17389	5.6
518.17999	2.6
532.19818	3.1
533.18365	8.6
534.19403	1.9
544.19550	1.7
562.20911	9.2
563.21265	2.2
678.22815	1.6
684.24719	8.5
685.24976	2.7
696.24670	4.0
714.25616	68.9
715.25842	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	715.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09886	1.1
57.03462	9.7
61.98839	13.4
63.62447	1.1
66.17115	1.1
67.01871	1.6
68.08423	1.1
68.98073	6.1
68.98497	5.7
69.03425	2.2
69.68655	1.3
79.01870	1.4
81.03460	3.9
83.01395	7.2
90.59383	1.1
93.03517	1.6
95.01400	1.3
95.05025	2.2
97.02972	3.8
107.05042	1.3
109.02937	3.1
113.06100	1.8
117.03338	1.3
120.01271	2.0
121.02998	3.5
123.00900	2.7
123.04536	3.4
125.02464	100.0
126.02792	4.7
132.02155	1.7
134.03748	2.0
135.04547	1.5
137.02466	52.9
138.02875	2.3
139.04068	1.6
144.01019	1.3
149.02461	4.0
150.03160	2.8
151.04039	7.9
153.01955	2.0
160.01657	7.7
161.02527	2.9
163.00471	2.8
164.01192	3.1
165.01961	11.8
165.05644	3.1
167.03517	14.5
168.03876	1.4
169.01445	54.5
170.01807	2.4
175.04018	6.4
179.03548	2.7
181.05081	5.2
183.04570	1.4
185.06105	3.2
187.03984	1.4
189.05531	2.2
193.01424	5.2
193.05058	2.9
195.04506	4.0
195.06567	1.4
196.05206	1.5
197.06129	3.8
198.03261	1.8
199.04042	2.6
201.05653	2.1
211.04089	4.8
212.04822	3.5
213.05537	10.6
214.05838	1.2
215.03557	2.1
217.05025	3.9
223.04045	2.6
224.04776	1.4
225.05609	16.8
226.06006	1.7
227.03476	4.4
227.07225	1.4
229.04990	2.5
235.04048	2.3
237.05493	2.5
239.03590	5.6
240.04192	2.0
241.05099	68.1
242.05513	5.7
243.03098	1.5
247.07742	1.4
249.05537	4.6
250.06277	1.4
251.03448	8.2
251.07259	1.2
252.04172	1.3
253.05128	13.7
256.03723	1.6
257.04593	4.7
262.06244	1.5
263.07150	4.5
264.07501	1.3
265.05029	7.7
267.06659	2.7
268.28760	1.4
269.04578	26.4
270.04895	2.1
273.05682	1.8
275.07214	3.1
277.04861	1.6
278.05600	1.9
279.06680	5.2
280.03818	1.6
281.04532	11.9
287.07297	1.4
289.08752	1.9
291.06708	4.2
292.07211	1.8
293.04614	2.8
293.08234	3.4
294.05484	1.6
297.07639	1.3
303.06595	4.8
305.08392	2.0
307.06256	2.6
307.09763	1.4
309.21518	1.2
311.09326	1.6
315.06570	2.1
317.04758	1.5
317.08228	2.9
319.06235	2.1
321.07733	4.9
329.08157	2.1
331.05655	3.0
333.07669	7.4
335.05573	3.8
335.09332	3.0
336.06155	2.0
337.09738	6.3
345.04092	1.4
345.07733	5.1
347.05664	3.4
349.07147	3.5
351.08655	1.4
357.07642	2.3
359.05640	4.9
361.07205	4.4
363.04892	2.7
363.08826	9.2
365.06506	2.2
373.07230	3.5
375.08923	1.5
377.06689	18.2
378.06699	2.0
379.08325	3.1
389.06628	9.6
391.08176	1.9
401.06793	4.0
407.07736	46.2
407.13123	2.4
408.08151	6.0
410.06665	1.5
419.07977	11.6
420.08057	1.7
425.08673	6.8
459.11136	2.7
483.10666	1.5
501.12192	1.6
509.08823	3.6
517.10333	3.3
527.09711	5.2
528.09863	1.6
533.10358	1.9
545.11078	15.6
546.11194	4.0
563.12122	26.2
564.12274	6.7
577.10034	6.2
715.13287	8.6
715.25238	2.3
716.14014	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	715.131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32889	1.6
55.39450	1.4
57.03458	10.8
61.98820	4.2
69.03467	3.9
69.78937	5.1
70.61754	1.4
81.03452	4.2
82.41018	1.4
83.01382	8.0
88.98756	1.3
92.42574	1.5
93.03409	1.7
95.01384	1.8
95.05022	3.3
97.02975	3.7
98.21864	2.1
99.04568	1.8
107.01417	3.9
107.05060	1.7
109.02951	5.5
116.92872	4.4
121.02979	3.9
123.00865	4.0
123.04506	1.7
124.01619	1.5
125.02460	100.0
126.02801	4.4
135.04573	1.9
137.02460	57.5
138.02950	2.3
139.03998	1.5
149.02435	5.6
151.03970	4.9
153.01944	2.2
161.02441	2.1
163.00368	2.3
163.03984	2.1
164.01161	1.9
165.01981	10.3
167.03510	15.6
167.04807	2.5
168.00594	1.8
169.01442	55.3
170.01764	2.7
173.06038	1.6
175.03973	1.7
177.01959	3.3
179.03502	3.4
181.05042	4.1
185.06039	3.2
193.01402	2.6
195.04532	1.9
196.05281	1.7
197.06071	5.9
199.03983	3.0
201.05554	1.7
211.04022	4.8
213.05569	11.4
215.03487	4.2
217.04985	1.7
223.04008	2.1
223.07565	1.8
225.05589	13.7
227.03500	5.3
229.05081	2.9
235.04184	1.5
237.05554	2.5
239.03523	4.6
239.07152	1.7
240.04195	4.7
241.05084	60.4
242.05455	5.6
249.05556	3.9
251.03413	9.0
251.07120	2.9
253.05054	12.5
255.06699	2.7
256.03720	2.1
257.04501	3.8
261.05655	2.3
263.07211	3.2
265.05096	7.4
265.08566	1.5
267.06668	2.7
269.04562	28.1
270.05038	4.5
271.06183	2.3
273.05438	2.4
277.08530	1.7
278.05609	2.6
279.06586	4.6
281.04681	11.2
281.07556	2.4
282.04871	2.3
285.07715	5.2
287.07083	2.3
291.06720	7.0
292.07745	1.7
293.04633	2.9
293.08078	2.5
295.06210	1.8
300.10104	4.5
303.06406	2.9
305.07880	2.3
307.06287	1.8
315.06641	3.6
317.04443	1.7
317.08197	2.4
320.06821	2.7
321.07718	5.6
331.04742	3.2
331.11899	5.8
333.07663	9.5
335.05441	4.1
335.09183	2.7
345.07800	2.3
347.05432	2.8
349.07159	2.1
357.07507	3.7
359.05621	4.5
361.07104	2.2
363.08902	7.2
365.06570	4.3
366.13171	2.6
371.05554	2.6
375.09064	2.1
377.06668	15.8
378.06888	2.3
379.08502	4.7
389.06570	10.5
390.06851	2.0
401.06458	4.8
407.07782	46.5
408.07953	7.3
419.07654	9.9
420.08008	2.6
425.08633	4.9
441.09766	2.3
483.11130	2.4
509.08569	3.1
527.09778	4.0
545.10938	16.9
546.11243	3.5
547.08704	2.2
563.12079	25.0
563.20795	2.4
564.12109	4.7
577.09686	6.1
715.12677	7.8
715.23218	4.4
716.12701	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	715.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27054	3.1
61.98819	3.0
67.75125	3.1
69.43761	12.8
69.83627	2.9
91.95497	2.7
92.05058	59.0
92.05602	4.3
95.01374	4.8
96.96079	3.6
101.65260	2.4
125.02491	6.8
136.04059	69.5
138.02000	17.2
169.01450	6.1
170.04576	16.2
199.83159	3.4
245.00815	4.1
256.39163	3.2
257.00961	5.0
275.01950	11.5
300.99942	49.5
301.03357	5.3
413.13632	100.0
414.13943	16.0
563.22321	4.2
589.96826	3.2
679.35925	4.0
715.21588	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	715.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74514	0.6
54.61939	0.6
61.98843	0.9
65.00331	1.1
65.79349	0.6
68.01094	0.5
70.29933	1.9
81.93970	0.6
85.02963	0.9
89.03990	0.6
96.90838	0.6
97.86246	0.6
98.22237	1.1
101.02486	0.7
107.01446	0.6
109.02945	1.3
111.00906	0.6
117.03474	2.1
119.01424	0.6
119.05039	1.0
121.02991	0.9
122.03783	0.6
123.00886	1.5
123.04486	0.8
125.02462	1.3
129.03496	1.6
133.02979	1.5
135.00916	1.5
135.04526	0.6
137.02454	5.1
144.10562	0.6
144.61726	0.6
145.02963	3.9
145.49292	0.6
147.00883	0.7
147.04555	2.1
149.02420	1.0
149.06068	1.3
157.02968	2.4
159.04596	2.8
161.02480	2.0
163.00386	21.8
163.04005	1.9
164.00748	1.3
165.01926	4.5
169.01506	0.8
171.10234	1.3
173.02475	4.7
175.00281	1.0
175.04013	3.0
176.01120	1.0
177.01924	2.0
178.99913	0.9
185.02435	5.4
187.03979	1.0
187.48161	0.6
189.01924	3.3
190.02629	2.3
190.99884	2.4
191.03578	4.0
192.00670	0.6
192.03900	1.3
193.01422	2.7
197.11781	0.9
201.01945	6.7
202.02489	0.7
202.99886	0.8
203.03548	8.2
204.04022	0.8
205.01460	0.7
205.05035	1.1
206.99416	2.2
208.00131	1.4
209.00864	4.5
209.11824	2.0
209.25537	0.6
211.13452	1.4
213.01982	3.4
217.01376	3.9
218.02002	1.7
218.99326	2.5
219.02940	2.7
220.03410	0.8
221.01089	0.7
222.01701	0.8
225.63895	0.7
229.01431	12.4
230.01889	1.5
230.60826	0.6
231.02979	6.0
232.14653	1.2
233.15479	3.4
234.15892	0.7
237.00404	1.5
245.00920	6.5
246.01350	1.6
247.02602	5.1
249.04027	1.4
257.00949	31.3
258.01434	3.4
261.00320	0.8
273.00421	8.6
274.00873	3.1
275.02008	50.3
276.02359	3.9
283.99677	1.8
293.03131	2.0
299.99063	1.3
300.99927	100.0
302.00250	10.1
316.14587	0.6
319.01074	3.1
353.05383	0.9
585.19531	3.9
586.20422	1.4
587.21625	0.9
615.21307	3.7
643.23474	1.2
651.21124	0.7
653.22345	1.4
669.22003	2.2
670.22137	1.2
671.23169	12.7
672.23584	2.6
697.21356	14.2
698.21814	4.1
715.22412	13.6
715.33917	0.7
716.23389	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	715.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.5
62.06498	0.3
67.37697	0.2
69.11427	0.7
69.11836	1.4
94.93281	0.3
95.01389	0.7
122.03755	2.2
123.00887	1.3
125.02449	1.4
133.02934	0.2
135.04425	0.3
137.02386	0.3
137.16058	0.2
145.02972	1.4
147.04498	0.3
157.02910	0.8
161.02487	0.6
163.00345	0.3
163.03992	0.5
166.99835	0.4
167.03566	0.3
169.01450	1.5
173.02457	1.5
175.03973	0.4
177.02060	0.2
180.68044	0.2
185.02464	2.7
189.01901	0.4
190.02698	0.3
191.03535	0.6
201.01913	2.5
203.03500	0.4
213.01857	0.3
217.01389	0.7
226.99890	0.3
228.00647	0.3
229.01422	4.4
230.01743	0.6
231.02908	0.6
231.11565	0.2
245.00887	1.5
247.02400	0.3
251.16612	1.2
257.00909	3.4
258.01508	0.7
259.02478	0.3
273.00443	1.1
273.03302	0.3
274.01126	0.7
275.02002	5.7
276.02280	0.5
283.99673	2.7
285.00137	0.3
299.99109	2.0
300.99911	100.0
302.00281	9.5
302.03259	0.2
349.62506	0.3
353.24280	0.3
715.22394	15.1
716.22949	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	715.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10132	2.0
57.03431	2.6
58.00580	2.4
59.01385	77.0
60.70846	2.0
69.39281	12.6
71.01387	65.7
72.99314	5.7
83.01362	2.3
83.31033	2.1
85.02954	8.9
87.00887	7.9
89.02455	81.0
95.01361	4.4
101.02455	39.7
106.49256	2.1
113.02472	27.4
119.03520	38.0
119.04970	1.8
121.02974	3.9
125.02500	10.0
131.03526	4.6
133.02911	2.3
134.03816	2.5
136.01671	31.8
143.03525	7.2
145.02965	12.4
146.03685	2.6
147.04527	3.5
149.04546	4.1
150.03194	4.2
151.04027	32.5
161.02489	11.4
161.04561	5.5
162.03246	100.0
163.03648	6.1
165.05559	5.5
168.00632	3.1
169.01437	6.8
177.05586	83.7
178.05934	4.6
179.05653	16.8
180.04208	2.3
183.02994	6.2
195.06636	8.2
257.55588	1.9
287.87259	2.4
357.13345	11.5
517.18683	5.5
518.18799	2.3
715.26129	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	715.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
101.02433	9.4
115.89060	8.1
222.89841	9.6
281.24927	39.8
310.51999	9.0
397.13461	57.5
398.13675	9.4
415.14688	38.2
434.53989	10.0
715.36615	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	39.0
65.00343	0.8
67.73231	0.6
69.49281	3.9
91.35830	0.6
117.03442	0.7
125.02470	3.0
134.03740	5.0
137.02477	0.9
145.03021	1.1
148.01666	1.1
150.03223	0.6
151.00409	2.4
151.04005	0.7
160.01654	1.3
161.02394	1.7
169.01483	2.5
175.04047	1.8
183.04430	0.7
185.56844	0.6
192.23174	0.6
193.05042	1.1
199.04056	2.3
212.98318	0.6
227.03545	2.7
228.04211	0.7
234.70134	0.5
239.74149	0.6
241.05075	0.7
243.02965	6.5
254.02274	1.6
255.02997	15.2
256.03534	1.8
270.05399	2.5
270.09042	1.1
271.02499	39.7
271.05746	1.3
272.03012	4.3
285.07739	6.1
286.08334	1.4
299.02017	11.0
300.02771	100.0
300.34482	0.7
301.03152	9.0
301.10724	2.9
304.11261	0.6
312.12448	1.3
314.04468	1.4
315.05136	83.9
316.05457	8.6
329.06296	0.8
331.11929	4.9
366.13461	2.3
459.09238	1.6
477.10437	8.8
478.10760	1.6
653.15155	61.8
654.15527	13.4
716.24774	0.7
717.21100	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	716.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70435	0.6
61.98836	100.0
62.18509	0.5
72.99306	0.5
82.74191	0.5
88.98792	0.6
96.00914	0.9
101.02774	0.5
108.02192	3.2
109.02981	0.5
117.03484	1.2
118.97079	0.5
123.04556	2.9
125.02481	1.4
133.03035	0.6
136.01718	1.0
145.02975	3.1
151.04016	0.9
154.53854	0.5
160.01718	1.4
160.04124	0.7
161.02460	2.6
169.01434	0.5
174.03276	0.6
175.04077	0.8
188.01254	0.6
189.01994	0.9
195.06660	0.8
202.01373	0.8
204.02972	3.1
205.03679	0.6
216.03113	2.1
220.06204	1.5
226.17140	0.6
232.02655	1.6
243.65117	0.5
245.03325	0.7
246.04068	0.8
249.02780	2.5
277.02411	2.2
297.04144	0.7
300.02927	0.6
312.06512	1.2
323.08124	2.2
324.08743	12.3
324.12277	0.8
325.09464	1.8
327.08932	1.2
337.09747	2.1
338.04483	0.8
338.10345	4.4
339.11044	0.7
340.11908	1.7
351.07382	3.4
366.09842	6.9
367.10300	0.9
368.11542	0.7
406.11710	0.6
490.15146	36.8
491.15552	7.9
529.16205	15.7
530.16882	2.7
653.21893	2.2
654.21844	1.0
716.23743	0.6
717.22931	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	716.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30483	0.9
69.59746	1.0
71.27708	2.1
72.00883	2.3
93.03450	4.4
95.01413	1.2
95.05024	1.7
102.36591	1.2
108.02174	6.3
119.05018	1.6
121.02961	8.8
122.03738	11.0
123.04547	13.9
124.01650	1.1
125.02415	1.8
133.02962	1.4
134.03688	1.2
135.04520	2.0
136.01671	72.2
136.07690	4.2
136.43695	1.2
137.01965	1.9
139.04065	1.4
145.02968	2.1
146.03719	1.6
147.04524	3.9
148.01680	3.7
148.05315	5.0
149.02452	37.5
149.06036	2.7
150.03244	70.1
151.04025	100.0
152.04358	4.9
153.05563	3.4
158.03793	1.3
159.04503	2.7
161.02373	1.9
161.06052	1.8
162.05583	5.4
162.06836	2.4
163.04027	4.5
164.04843	5.5
165.05583	44.8
166.05952	2.9
169.54439	1.0
177.01958	1.7
177.05606	10.9
178.05040	2.3
179.07077	1.1
180.04192	1.7
190.04950	1.4
191.03589	1.9
191.07056	1.6
192.04236	1.1
192.06567	1.8
194.05771	1.6
195.06651	12.5
203.07138	2.3
220.07410	1.8
224.06879	2.8
255.60005	1.1
279.06573	1.4
293.08151	2.2
295.06274	1.7
295.09683	2.4
296.06729	2.2
297.07617	2.0
297.11243	1.4
307.09616	1.8
308.10199	2.2
309.07568	1.8
309.11038	1.5
310.08163	1.8
311.09006	2.4
312.09967	1.0
312.12488	10.5
313.09708	2.1
323.09091	2.9
324.09677	2.2
325.10770	2.3
326.11588	5.1
327.08762	2.0
327.12262	3.4
328.11954	27.1
329.12180	3.2
339.08652	4.4
339.12360	1.8
341.13852	2.4
342.11029	3.4
352.12097	1.7
356.12317	1.9
357.13385	6.8
369.13437	11.4
370.13898	1.7
406.69629	1.1
431.14810	1.3
440.11325	1.4
455.13443	1.3
456.14572	1.3
459.13205	1.7
460.14017	3.5
461.15698	2.4
470.15961	1.3
472.14276	7.5
473.15265	1.5
474.16217	3.2
475.17133	4.1
476.17172	2.4
487.17340	5.9
488.17200	2.0
489.18121	6.2
490.18765	13.0
491.18802	2.4
502.18842	20.0
503.18991	4.8
505.18787	7.5
506.19406	3.2
514.18463	1.3
516.20300	2.3
517.18481	4.6
518.18744	1.8
534.21100	2.9
535.19885	18.6
536.19666	3.5
546.21179	4.6
574.21637	1.4
580.26587	1.1
638.24426	7.5
639.24127	2.3
650.24182	8.8
651.23523	2.6
668.24921	19.0
669.25275	3.9
680.24512	4.3
686.25995	9.4
687.26233	3.5
698.25739	9.2
699.26117	3.3
716.26654	4.8
717.26782	3.4
737.88611	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	716.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29733	0.6
61.98824	1.4
66.88441	0.5
67.96059	0.6
93.03461	4.7
95.01402	0.7
105.03534	0.7
121.02957	6.4
122.03754	14.2
123.00967	0.8
133.02992	2.3
133.05386	0.7
134.03706	0.8
135.04497	0.9
136.01711	1.9
149.02463	20.1
149.06123	1.2
150.03241	100.0
151.03586	5.0
161.06071	1.0
162.06786	0.7
163.07507	0.8
164.04848	3.1
165.05582	88.5
166.05923	5.4
174.06889	0.6
176.08447	1.4
179.07159	1.5
180.04294	6.6
181.04967	0.9
190.06302	0.8
192.06648	1.0
195.06636	51.1
195.15790	0.6
196.07004	2.6
218.57153	0.5
224.08482	2.8
237.39687	0.6
240.07925	0.9
252.07870	0.9
267.03040	1.4
267.10489	0.7
278.09268	0.7
279.06592	0.7
291.06635	1.4
295.06268	1.5
295.09378	0.7
296.06885	1.5
297.07608	1.8
298.08087	0.8
299.08871	0.7
306.08896	2.2
310.08313	0.8
312.09729	1.6
312.12756	1.2
313.10742	1.6
326.11591	1.7
326.20947	0.7
327.12366	5.5
328.12735	0.7
353.09018	1.4
353.12820	0.9
354.13477	1.8
357.13528	1.0
368.11481	1.6
373.13373	0.6
401.12772	0.9
429.12027	1.4
433.81909	0.6
440.11392	1.6
442.13199	1.0
445.11658	2.1
455.13614	2.2
456.14478	2.7
459.13074	0.9
460.14023	8.0
461.14133	1.1
463.48459	0.6
470.15924	3.5
472.13977	13.0
473.14499	2.6
474.15671	1.4
475.16278	3.1
487.16382	6.6
488.17188	2.8
489.17773	3.1
490.11093	0.8
490.18713	28.0
491.18915	5.6
502.18762	61.2
503.19077	13.7
518.17401	0.9
520.19916	3.1
521.20105	0.8
544.19928	0.9
574.20050	0.8
638.23889	2.7
639.24097	1.1
650.23956	2.4
651.24365	0.8
668.25073	4.3
669.25159	1.2
686.25604	2.0
698.25891	1.1
716.27179	9.4
717.27618	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	716.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88980	0.4
57.01941	0.5
61.98834	100.0
71.01397	2.7
75.00892	0.7
98.22173	2.7
109.06602	0.9
142.82434	0.5
169.24565	0.5
171.10312	1.1
207.10316	2.1
209.11865	0.9
211.13382	5.1
211.15102	0.5
212.13696	0.6
225.11409	1.0
227.13052	0.6
228.78073	0.5
253.09355	0.6
537.60828	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	716.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08244	0.4
54.24973	0.4
57.63198	0.4
59.01385	1.0
61.98832	2.3
64.19479	0.4
70.29816	1.3
70.30154	0.5
71.01381	1.6
74.26283	0.5
83.37267	0.4
89.02465	1.0
90.04270	0.4
101.02451	1.1
113.02489	0.8
119.82442	0.5
158.75264	0.4
167.14577	0.6
171.10298	0.5
183.13924	5.0
193.12387	1.5
196.70845	0.4
209.09276	0.4
209.11722	0.7
211.13417	100.0
212.13754	8.6
213.34824	0.4
235.08250	1.8
253.09305	4.2
387.25565	0.6
429.21448	1.1
447.22433	9.8
448.22705	1.9
567.27295	0.5
617.15588	0.5
623.34332	2.0
641.34991	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	716.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.0
61.98837	14.1
67.21244	1.0
71.01381	4.6
75.00871	2.3
161.04601	1.2
168.02818	1.2
171.10219	2.1
183.13896	5.0
186.76532	1.1
193.12404	1.9
207.10268	1.8
209.11848	1.9
211.13412	100.0
212.13734	9.0
223.13493	1.2
225.11476	2.4
228.75024	1.4
235.08244	3.3
253.09317	4.3
345.60681	1.1
427.95425	1.3
429.21127	1.2
447.22491	10.5
461.65323	1.2
620.47107	1.4
623.34192	2.1
641.35626	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	717.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	1.3
65.00316	2.9
69.13305	13.9
83.01399	2.2
93.81500	2.1
94.72015	1.3
98.22190	6.1
99.92597	16.3
107.01420	4.3
109.02996	2.8
112.23547	1.5
112.88868	1.4
116.92873	100.0
116.98349	1.8
117.92894	6.7
121.02977	5.8
121.15538	1.4
125.02470	2.1
140.69289	1.5
151.00378	22.2
155.63315	1.5
160.46361	1.5
163.00386	3.2
169.01408	3.1
178.99864	12.7
255.03110	2.4
264.69382	1.4
265.09958	1.6
267.78940	1.7
301.00424	3.6
301.03552	91.0
302.03848	10.1
324.93954	1.4
352.94022	1.6
353.70511	1.6
565.22504	2.2
599.10394	20.7
600.10706	6.0
663.00867	6.4
700.09406	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	717.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
62.22362	0.4
67.01899	1.0
69.03441	1.1
71.00570	0.8
71.01369	1.5
72.99287	0.7
79.01894	1.1
79.42326	0.5
80.10311	0.4
81.03445	0.6
83.01398	1.0
85.02956	1.0
87.00876	0.9
95.01392	2.8
97.02963	1.5
99.00904	0.5
101.02441	1.2
107.01398	10.9
109.02935	0.7
111.00907	3.2
113.02458	1.0
119.05014	0.6
122.03757	7.3
123.00902	13.0
124.01653	1.8
125.02457	61.8
126.02802	1.8
127.00408	1.3
135.04526	0.5
136.98819	2.0
137.02412	0.6
139.00385	5.4
140.01184	5.2
141.01929	1.8
149.06084	1.8
151.00407	6.9
153.01897	0.8
156.14801	0.4
157.62914	0.5
161.02467	0.5
163.04082	0.7
165.01811	0.5
166.99893	1.4
168.00647	7.9
169.01437	71.2
170.01802	3.0
175.03961	0.6
177.01981	0.5
179.03532	0.8
181.01402	0.9
191.03612	0.6
193.01414	0.9
193.05086	0.8
195.03149	0.7
196.29175	0.5
207.03065	0.6
209.04521	0.5
211.02493	0.8
215.22633	0.5
223.02614	0.6
227.83257	0.5
235.13728	0.5
236.14192	0.7
237.04079	1.7
250.15820	3.5
251.16496	6.4
252.16995	0.4
253.03610	0.7
295.04630	1.4
297.06204	1.3
301.00024	0.7
313.05643	10.0
314.06094	0.8
334.16931	0.4
347.74197	0.5
437.77979	0.4
503.13367	0.5
547.21838	0.7
553.12396	0.5
565.22906	12.3
566.23340	1.8
717.23993	100.0
718.24329	27.9
718.37225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91517	4.9
59.01387	46.1
61.98845	6.7
70.69800	4.8
70.70132	9.2
71.01398	32.3
73.02935	5.7
85.02956	6.1
89.02448	28.7
93.48977	4.8
97.02978	6.1
97.44289	5.0
101.02466	30.5
104.36961	5.1
113.02473	9.2
119.03543	10.8
125.02457	11.7
161.04594	6.9
179.05519	8.8
185.04410	5.7
200.38248	6.3
208.97217	6.9
235.08232	6.9
245.24239	5.1
253.09285	6.6
262.98737	4.9
277.21741	76.5
278.22375	6.0
397.13513	100.0
398.13864	9.8
415.14706	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	718.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
57.03437	1.3
57.78401	0.8
58.00595	1.5
59.01384	40.1
61.33262	1.1
61.98831	4.8
69.03448	3.4
71.01387	34.2
72.99299	3.2
73.02951	5.2
76.39958	0.9
78.95937	1.2
81.03463	1.2
83.01402	4.2
83.05013	1.1
85.02960	6.6
87.00879	7.6
88.74992	0.8
89.02451	30.2
95.01418	1.9
97.02974	4.0
99.00869	2.0
101.02455	25.0
103.04094	1.2
111.04541	1.3
113.02464	12.4
119.03487	10.3
120.60861	0.9
125.02450	11.3
127.04075	1.2
131.03474	1.2
137.02483	1.0
143.03532	5.0
161.04605	5.9
179.05621	6.0
221.06549	2.4
233.22896	1.0
235.08212	12.6
253.09314	3.0
263.07806	2.2
274.64825	0.9
277.21741	80.6
278.22144	8.8
281.74963	0.9
287.07794	3.1
305.08902	3.5
323.09781	1.6
397.13535	100.0
398.13885	12.7
415.14569	42.8
415.20236	1.5
416.15039	3.0
675.35730	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	719.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56657	1.2
68.21309	1.3
68.77001	1.2
79.37146	1.3
80.50709	1.2
81.44036	1.4
88.98799	4.4
91.03529	1.3
98.22535	2.8
107.01425	4.1
111.25153	1.2
116.34399	1.2
120.29876	1.3
123.00890	2.4
125.02445	17.7
135.48210	1.2
137.02371	1.2
151.00397	3.7
151.63956	1.4
155.68875	1.2
168.00627	1.5
169.01451	21.5
211.02420	2.7
216.92422	1.3
243.03040	4.5
246.52110	1.3
255.02994	14.5
256.03204	2.1
271.02417	28.4
272.03113	2.7
288.43137	1.3
299.02014	7.6
300.02774	100.0
301.03204	10.2
313.05664	8.9
313.29175	1.5
315.05136	67.6
316.05475	7.4
448.84848	1.6
477.10382	18.8
478.11099	2.6
629.11493	91.2
630.11749	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	719.168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52929	2.0
56.11270	1.8
56.41292	1.6
59.05217	1.5
61.50812	1.6
69.52795	9.6
71.82562	1.6
72.99306	11.8
73.02921	1.7
76.56962	1.5
81.07104	2.2
84.27510	1.5
99.08205	3.9
113.06122	2.3
115.07664	46.7
116.08099	1.7
128.30296	1.5
129.05597	22.1
141.92253	1.6
141.93495	1.6
143.07135	14.5
159.06650	2.3
166.02237	1.6
175.64589	1.7
205.07182	100.0
206.07527	6.3
305.75397	1.7
310.99384	1.6
319.36935	1.7
507.85022	1.9
508.78702	1.7
629.37769	2.3
641.50470	1.7
746.63092	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	719.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03961	1.0
68.18521	0.4
68.97588	3.5
93.03469	75.0
94.03779	2.9
113.05367	0.5
118.56944	0.5
125.02471	2.7
137.02460	100.0
138.02803	3.9
161.02496	0.5
169.01451	1.8
213.61447	0.5
527.77148	0.5
635.12457	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	719.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01379	5.9
61.98836	26.9
69.03109	0.8
69.03458	6.1
69.81031	0.9
70.07143	1.0
70.07481	3.2
71.01389	5.4
71.05022	1.8
73.02968	1.2
80.02696	1.3
80.96555	1.2
81.03459	1.5
83.01373	0.9
83.05039	6.0
84.02157	1.5
85.02975	2.2
87.00896	1.7
89.02471	3.2
96.96043	2.1
97.06627	1.1
98.21975	1.5
101.02439	5.1
113.02465	1.9
123.08179	1.4
125.06046	0.9
125.09764	1.7
135.08177	1.3
151.11317	2.5
153.12874	1.1
161.04526	1.3
161.09727	5.4
163.11313	4.6
165.12857	2.7
171.10271	1.8
179.10788	9.6
197.11848	77.1
198.12184	5.4
209.11850	71.6
210.12160	5.1
225.11337	1.0
227.12900	6.1
241.10847	3.9
253.09363	3.7
273.17053	1.3
289.77899	0.9
300.99857	1.1
477.19815	3.3
515.21771	1.1
572.95789	1.1
687.32355	100.0
688.21436	1.5
688.32794	29.0
719.35242	19.0
720.35767	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	719.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
59.48843	0.5
61.98834	6.5
71.01391	3.5
73.02959	0.6
80.02689	1.1
81.03462	1.5
83.01383	2.2
83.05045	4.4
84.02187	2.0
85.02974	0.5
87.00910	0.5
89.02447	2.2
94.98073	0.6
97.02962	1.0
97.06644	0.6
98.21728	0.7
98.22424	1.9
99.00851	0.5
101.02461	2.8
113.02460	1.9
113.59789	0.4
125.06075	0.6
125.09698	2.5
127.11324	0.4
133.87108	0.3
135.08179	0.6
147.11717	0.5
161.04550	2.0
163.11317	4.2
165.12791	2.2
169.01358	0.4
171.10292	1.9
181.12405	0.9
191.10764	2.4
195.10243	0.6
199.13383	0.5
209.11845	100.0
210.12166	6.7
211.13451	0.4
223.13310	0.6
226.12126	1.0
227.12909	12.4
228.13284	0.9
228.79956	0.4
235.08215	2.9
241.14441	1.1
243.16013	0.9
253.09305	12.2
254.09671	0.7
273.17099	79.3
274.17413	7.7
301.00064	0.8
388.92889	0.4
445.21024	0.9
465.28854	1.4
509.26587	0.7
515.58801	0.4
569.30933	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	719.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17300	0.6
59.01389	3.5
59.48808	0.9
61.98839	19.5
64.96702	0.6
71.01398	3.8
80.02670	1.7
81.03457	1.6
83.01387	2.7
83.05032	3.6
84.02193	1.2
85.02985	0.6
86.57132	0.8
89.02467	2.0
97.06586	0.9
98.22553	1.5
101.02457	2.5
113.02499	1.7
119.03483	0.8
125.02478	1.2
125.09761	2.7
127.11291	0.8
130.06221	0.6
134.03706	1.0
135.52264	0.7
157.30663	0.7
161.04550	1.7
163.11316	4.2
163.20863	0.6
165.12895	3.1
169.01387	1.4
169.12396	1.9
171.10277	3.1
181.12361	1.2
181.91479	0.7
191.10776	1.7
197.11868	2.0
199.13573	0.9
203.38274	0.8
209.11852	100.0
210.12186	7.6
211.13481	1.1
222.20621	0.8
223.13441	1.0
224.01596	0.7
226.12088	1.1
227.12918	10.6
228.13179	1.3
229.13541	0.9
235.08286	2.3
241.14536	1.7
253.09282	12.0
254.09705	1.4
261.27667	0.7
273.17102	86.7
274.17410	7.2
445.20731	1.3
465.28452	1.3
509.26221	1.4
516.55048	0.9
687.32349	1.3
719.35168	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	720.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.88972	0.1
63.11686	0.1
64.85991	0.1
71.01391	0.2
72.27113	0.1
85.05810	0.1
85.81849	0.1
87.00890	0.3
98.21748	0.4
98.22465	0.6
105.54218	0.1
115.00368	0.6
141.13068	0.1
155.29329	0.1
156.00685	0.3
157.01501	0.4
174.01778	1.0
175.02504	1.7
176.89522	0.1
197.11978	0.1
209.11890	0.2
211.13522	0.3
212.13776	0.1
347.25900	0.2
499.99951	0.1
544.30939	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	720.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95733	0.1
61.98836	100.0
62.98537	0.2
69.64597	0.6
82.95428	0.4
83.29969	0.1
115.11488	0.1
197.11981	0.2
199.13469	0.1
209.11856	0.7
211.13432	0.8
225.11430	0.3
483.36734	0.1
606.91736	0.1
689.34045	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	720.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.9
71.01382	28.9
73.02956	7.5
74.06068	4.6
74.22247	4.2
81.15686	4.0
85.02960	5.5
87.00867	4.8
89.02452	25.8
97.02946	4.7
101.02441	23.7
111.60812	4.3
113.02453	9.2
119.03535	9.3
125.02442	9.8
128.67346	3.4
136.04895	4.5
143.03519	4.5
169.01610	3.6
179.05586	6.5
188.29451	3.8
211.13399	10.6
221.35231	4.4
235.08313	15.5
249.55998	5.2
253.09566	3.9
279.23334	78.8
280.23627	11.2
291.19598	4.4
397.08688	8.0
397.13565	100.0
398.13788	10.0
415.14404	32.3
501.75476	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	720.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61322	0.4
56.07235	0.4
70.19341	1.4
81.03453	2.6
81.96737	0.5
83.05033	9.6
91.77571	0.5
98.17201	0.4
102.97630	0.5
106.74937	0.4
107.06179	0.5
125.02412	0.5
126.05663	0.4
147.37041	0.5
196.20007	0.5
207.15128	0.6
224.17702	1.7
225.16127	8.9
231.70062	0.5
242.18910	0.5
248.01956	0.5
287.08661	0.5
309.21747	0.5
341.29141	0.6
367.27133	0.8
372.41693	0.5
378.93582	0.5
440.67044	0.5
450.34314	0.9
451.32782	4.7
452.33255	1.2
520.27203	0.5
564.24561	0.5
659.48779	1.5
671.24109	0.6
677.49719	100.0
678.50073	30.3
736.45459	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	721.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.4
61.98822	1.2
71.01383	1.0
78.95909	4.4
79.63678	0.3
79.95747	3.4
94.98093	0.3
96.96020	100.0
96.96908	4.8
97.95937	0.4
98.21734	0.6
111.30740	0.3
112.67834	0.3
117.03490	0.4
145.02997	0.7
169.01337	0.4
207.10211	0.3
209.11847	1.1
228.67667	0.3
345.95651	0.3
351.98218	0.3
483.10184	0.7
510.08511	0.5
623.23615	0.6
646.16089	0.5
661.18823	6.5
662.19159	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	721.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53882	4.5
61.98841	100.0
75.61028	4.6
78.91883	6.9
98.21723	12.4
98.22435	26.0
98.28340	6.5
127.65590	5.9
134.42070	5.6
143.37163	5.5
147.18256	6.4
173.28264	5.9
209.11754	10.5
211.13394	17.6
239.70203	5.3
245.96846	5.1
361.53262	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	721.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.7
61.98837	100.0
63.47463	3.7
70.78364	9.2
70.78712	4.9
71.01387	55.9
80.96503	7.7
83.05055	5.0
99.00847	5.2
101.02454	4.3
109.06590	6.3
111.44899	3.9
123.14977	3.9
125.02463	4.4
152.53380	3.8
163.11319	7.0
165.12923	4.5
169.01450	6.4
171.10223	8.8
175.02480	11.5
197.11810	5.2
199.13467	6.8
199.87482	4.5
207.10260	22.0
209.11856	75.4
210.12180	11.9
211.13403	7.3
225.11357	26.0
227.12895	9.0
253.09387	8.7
264.31146	4.7
294.90671	4.1
344.78009	4.7
454.06500	4.9
461.20651	5.7
639.50806	4.2
689.33728	9.2
721.36340	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	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.2
59.01369	7.4
61.98830	12.6
71.01359	6.0
71.28693	5.8
76.92200	3.3
81.03468	3.7
83.05063	5.7
91.49942	3.9
95.01414	4.8
96.96003	5.3
97.02959	8.2
99.00896	17.3
101.02471	4.4
104.12386	4.0
105.23756	3.6
107.01405	6.5
125.02455	24.7
125.09748	8.4
151.03894	4.0
163.11256	15.4
169.01450	19.5
171.10260	14.4
181.12354	15.2
199.13438	8.6
207.10274	28.4
209.11855	53.5
210.12154	4.7
225.11362	46.7
227.12909	6.9
243.12354	25.8
253.09331	5.0
284.42218	4.1
300.99875	11.4
417.13724	3.5
461.20428	4.9
479.21304	11.0
499.60907	3.9
689.33936	100.0
690.34247	22.2
721.27338	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	722.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74976	1.9
54.76010	2.1
59.01388	30.1
59.80708	1.9
71.01389	21.0
71.26157	3.4
73.02945	3.0
83.01402	2.9
85.02956	4.0
87.00873	5.2
88.84274	2.2
89.02461	21.5
91.52408	2.0
97.02944	4.5
101.02453	19.8
104.44373	1.9
113.02476	14.6
119.03523	8.1
125.02460	8.6
128.95943	2.0
141.10533	2.1
143.03499	4.7
161.04561	5.4
179.05623	5.7
207.54997	2.2
209.11862	17.2
211.13467	2.4
213.28528	2.3
222.57742	2.5
225.11342	2.5
235.08243	13.4
253.09340	4.3
277.21713	12.5
281.24875	80.0
282.25180	10.0
287.07806	2.8
305.08817	4.0
323.09280	2.1
397.13513	100.0
398.14304	10.4
401.17953	2.4
415.14597	34.6
416.14774	3.4
459.79669	2.1
506.68152	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	723.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.4
61.14893	1.9
67.01885	6.9
69.03470	2.2
71.01384	2.9
71.25064	2.1
73.50841	2.7
79.01902	3.1
95.01400	37.0
95.01955	3.2
97.02950	4.2
98.22158	2.3
107.01419	11.4
109.02985	6.9
111.00890	3.9
113.18478	1.9
117.03506	4.6
121.02976	4.3
123.00899	74.4
125.02459	42.4
132.33527	1.8
133.02972	3.8
135.04517	2.5
137.02490	2.9
139.00403	10.2
143.01271	1.9
145.02956	10.4
147.00986	2.0
147.04523	6.7
149.02443	4.3
151.00418	4.4
157.02960	5.1
157.12379	9.0
160.01660	5.0
161.02483	13.6
162.03181	2.3
163.00406	11.7
163.04030	7.9
165.01947	5.9
166.99881	38.7
168.00545	3.3
169.01442	47.7
170.01764	2.5
171.00862	5.2
172.01691	5.2
173.02467	10.4
174.03159	2.2
175.04012	8.5
177.01965	4.7
177.88069	2.2
178.99751	2.5
185.11816	5.4
187.00398	2.7
188.01135	3.7
189.01910	8.2
190.02710	4.6
190.99919	2.5
191.03488	11.1
192.00616	2.2
199.00377	4.4
200.01202	5.4
201.01956	20.3
203.03523	9.4
203.12909	49.3
203.14807	2.7
204.13295	2.1
209.00911	2.8
214.99916	4.1
216.00772	2.9
217.01401	13.6
219.02994	4.5
226.99931	3.8
229.01404	19.6
230.99295	2.1
231.03027	3.7
235.02493	1.9
242.99538	4.8
243.02864	2.0
244.00121	4.6
245.00992	12.5
245.13948	29.8
246.01418	2.3
247.02580	16.5
248.02687	2.5
255.02986	9.1
257.01126	2.7
261.00568	2.9
263.01895	3.1
270.98950	9.9
271.02557	17.0
271.99649	7.7
272.02612	2.1
273.00391	16.5
275.02060	4.6
298.98300	6.4
299.99194	6.9
300.02811	31.7
300.99939	19.4
301.03543	20.9
302.00320	2.7
316.99500	2.1
371.03870	3.6
433.07773	38.8
433.13354	3.2
434.07959	4.6
499.08945	2.4
527.08698	3.4
553.06665	2.5
651.09900	3.4
667.08978	4.4
668.08655	2.5
679.09662	5.7
695.08630	6.7
705.07379	100.0
706.07477	23.7
723.08557	9.3
733.17487	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	723.085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	4.0
65.00291	1.6
67.01894	4.1
71.01373	2.4
71.25231	3.7
83.28111	1.9
85.02973	2.3
87.00901	2.1
95.01397	14.3
97.02896	1.8
98.25503	2.1
107.01415	5.6
108.02171	2.3
109.03000	3.3
111.00928	2.3
112.36850	1.8
117.03503	4.3
123.00906	23.4
125.02448	19.0
135.00827	2.2
139.00359	6.4
141.03456	2.4
143.01399	2.8
145.02980	7.7
147.04478	2.3
148.01688	2.7
151.00392	1.9
157.02829	2.4
159.00929	2.1
160.01672	3.8
161.02477	8.9
163.00439	3.0
163.03964	2.9
165.01942	1.9
166.99881	11.6
168.00624	2.0
169.01442	16.8
171.00932	4.4
172.01610	2.2
173.02437	5.2
175.04033	2.6
185.02435	2.4
187.00410	3.4
188.01093	4.1
188.03011	1.7
189.01965	5.7
190.99823	2.0
191.03458	2.2
199.00406	6.5
200.01067	5.5
201.01997	11.3
203.03328	2.8
214.99899	3.4
216.00571	2.6
217.01436	6.5
219.03008	2.4
226.99876	6.9
228.00589	2.0
229.01447	20.0
230.02145	2.3
231.02983	2.6
242.99393	3.8
244.00093	2.1
245.00891	7.3
247.02388	9.7
254.99326	5.1
257.01031	3.6
259.99796	2.6
261.00482	3.0
270.98877	12.2
271.99576	5.3
273.00494	8.6
298.98364	10.1
299.01404	2.0
299.99048	7.1
300.02133	1.9
300.99945	21.9
427.03009	5.7
428.03690	4.2
447.05133	2.0
495.26334	1.8
521.53455	2.3
541.10535	2.4
557.05029	2.3
569.05414	2.5
571.07483	2.2
595.03430	4.5
667.09155	7.2
679.08563	2.3
695.08484	6.0
696.09357	3.8
705.07446	100.0
706.07709	23.8
719.45856	2.1
751.09174	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	723.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.8
59.01391	2.4
71.01384	2.8
74.80859	1.5
83.01402	5.1
85.02959	100.0
86.03325	3.5
90.60193	1.6
101.02454	3.8
111.00893	13.2
119.05040	2.9
129.01955	48.0
130.02226	2.1
135.04539	14.8
147.02988	7.5
163.04037	3.3
173.00937	22.4
177.42253	2.0
179.03539	7.9
191.01993	81.5
192.02376	5.1
199.53853	1.5
205.03543	15.6
209.03052	4.0
223.04620	23.6
228.94818	2.3
353.05258	12.7
353.64807	1.7
369.08325	8.4
370.08667	2.5
453.83334	1.7
570.43756	1.6
672.79962	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	723.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.35931	0.5
57.03187	0.8
57.03453	11.8
59.01384	4.4
59.98779	0.5
61.29159	0.6
71.01382	2.3
71.26250	0.9
72.99329	1.1
75.00881	0.9
83.01392	2.2
84.02164	2.3
85.02956	100.0
86.03310	2.5
87.00893	1.1
103.00381	1.2
111.00862	0.8
129.01955	8.9
134.03789	2.8
135.04547	1.2
147.03014	15.1
149.06204	0.5
173.00934	2.5
179.03581	0.7
191.01990	56.4
192.02333	2.2
193.05141	1.8
209.03032	4.6
214.18361	0.5
223.04614	9.1
319.82983	0.5
353.05197	1.4
385.07764	18.5
386.08209	2.5
475.98090	0.6
500.35294	0.6
502.85419	0.5
540.66309	0.6
656.07581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47631	2.2
52.33501	2.2
59.01386	3.0
61.98832	18.3
68.21889	3.0
69.17576	2.3
71.01379	4.7
71.27380	2.2
71.27862	2.8
83.05041	4.2
89.02484	2.4
93.55204	2.7
96.95997	3.5
108.13085	2.2
125.02496	4.1
135.04494	3.5
169.01422	4.2
171.10312	4.0
189.45062	2.8
201.11330	21.3
209.11842	100.0
210.12149	7.0
227.12914	15.3
235.08365	2.5
253.09273	8.0
259.15491	5.6
300.99796	3.0
347.81580	2.6
388.23303	2.4
445.21027	3.2
540.81720	2.9
582.75165	3.1
651.95398	2.7
689.39740	2.7
712.26495	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	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
63.85702	1.9
65.79298	2.1
67.98880	2.0
70.80050	4.7
71.01402	3.2
73.73085	1.9
83.05024	4.0
101.02444	2.7
114.41481	2.1
122.65170	2.1
147.67200	2.3
149.74525	2.1
163.11325	3.0
199.78806	2.5
209.11844	81.3
210.12160	5.0
221.13078	2.1
227.12912	10.3
235.08223	8.5
253.09273	6.6
277.21747	100.0
278.22156	9.9
286.77039	2.3
287.54376	2.2
311.75229	2.1
487.25610	2.6
528.80585	1.9
707.01288	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	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33972	1.8
59.01361	4.9
60.61945	1.7
63.44598	1.5
71.01371	3.1
71.20505	2.1
83.05013	4.5
89.02480	1.9
95.07503	1.6
151.81985	1.5
161.04535	2.2
163.11302	2.1
165.12897	1.9
181.29454	1.6
209.11855	100.0
210.12178	6.4
227.12906	9.0
235.08238	4.6
253.09285	11.2
277.21753	78.4
278.22070	8.3
417.33066	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	723.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35276	3.0
61.13776	2.9
62.50885	2.6
69.64328	13.7
71.01386	4.3
73.21489	2.9
83.05035	3.4
94.87036	2.8
98.21870	3.2
142.10034	3.0
150.67728	2.6
152.08469	3.5
178.56931	2.7
203.65849	2.7
209.11841	100.0
210.12169	8.6
227.12912	15.9
253.09262	9.5
277.21762	47.6
278.22025	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	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
58.20633	0.2
59.01386	3.7
71.01384	2.9
71.26680	0.2
73.02959	0.7
80.02695	0.8
81.03476	0.8
83.01400	0.6
83.05034	3.3
84.02184	0.6
85.02964	1.0
87.00880	1.1
89.02450	2.1
89.90437	0.2
95.05016	0.4
97.05443	0.2
97.06588	0.4
101.02444	3.3
109.06640	0.4
112.00765	0.3
113.02473	1.7
119.03501	0.5
125.06114	0.4
133.05128	0.3
135.08173	0.3
143.03554	0.4
145.05080	0.7
161.04597	1.2
163.11317	2.7
165.12854	1.8
179.05615	0.3
179.15170	0.3
181.12364	0.4
191.10864	0.9
199.13466	0.6
209.11847	78.8
210.12190	5.7
221.46925	0.3
227.12901	10.3
228.13234	0.8
228.73331	0.2
233.22812	0.5
235.08231	5.5
253.09311	9.1
254.09698	0.7
259.20737	0.4
275.20163	0.3
277.21741	100.0
278.22086	12.5
278.25195	0.5
445.20636	0.5
450.24545	0.2
630.72913	0.3
723.43219	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	725.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98897	2.7
69.01475	30.3
72.02067	2.5
107.01411	6.2
117.12357	3.0
123.00919	3.9
125.02462	84.4
139.00388	2.6
151.00360	3.8
159.84091	2.6
168.99992	5.9
169.01437	100.0
170.01768	7.1
211.02512	6.5
223.65062	2.7
241.03572	2.8
271.04688	3.9
279.60553	3.2
313.05737	4.6
383.70792	3.1
423.05890	4.5
450.69736	3.1
465.06705	20.4
483.08054	5.7
578.18970	2.7
635.08972	64.1
636.09167	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	725.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09993	2.0
60.64248	1.7
69.22550	11.4
75.16785	1.8
93.25963	1.8
97.02974	2.5
101.88244	1.9
107.01398	6.5
123.00898	3.8
125.01538	3.9
125.02462	78.5
126.02782	3.3
151.93425	1.9
168.00616	4.9
169.01447	100.0
170.01746	5.0
178.75690	1.9
193.01408	3.5
211.02518	6.9
241.03525	4.1
271.04614	4.1
313.05707	5.7
361.35059	1.9
465.06732	6.2
483.07935	8.4
521.59735	2.2
635.08990	92.1
636.09320	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30907	10.1
71.01387	3.6
95.01411	1.7
96.77960	1.6
98.21892	3.2
98.22534	2.7
106.60202	1.4
107.01398	5.7
113.02441	2.0
123.00905	6.0
125.02464	41.5
126.02773	2.1
139.00310	2.1
140.01128	2.0
151.00397	2.9
168.00607	3.6
169.01445	60.5
170.01814	1.6
179.03545	1.8
193.01457	2.1
211.02518	4.5
216.47208	1.4
223.02565	2.3
295.04550	2.5
297.06064	2.3
313.05682	26.0
314.06174	3.2
330.03442	1.9
405.51749	1.5
458.86765	1.8
465.06763	100.0
466.07056	14.9
542.95715	1.5
635.08960	9.8
636.09009	3.1
640.52222	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	725.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48561	1.6
69.03449	1.6
71.01380	2.1
71.09026	2.7
72.97372	1.7
95.97644	1.5
101.02448	1.9
107.01397	7.7
113.02440	2.1
123.00909	5.1
125.02459	72.2
126.02808	3.4
139.00386	4.2
140.01184	3.5
147.04555	2.2
151.00432	3.2
162.14795	1.8
168.00661	3.9
169.01448	100.0
170.01834	4.0
172.50110	1.5
193.01512	2.4
193.45021	1.6
203.41827	1.7
211.02576	5.3
223.02483	2.1
244.02782	3.5
271.04602	3.6
313.05789	11.6
465.06741	20.6
466.06439	2.6
483.07733	13.7
509.84827	2.3
540.47119	1.9
635.09003	70.3
636.09119	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	725.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69202	1.2
57.03443	2.8
59.01369	1.5
71.01373	3.4
71.26647	2.0
77.15926	1.1
83.01380	1.1
85.02961	22.9
86.03294	1.3
95.01340	1.3
97.02975	1.6
101.02437	2.4
107.01395	10.1
108.04591	2.0
111.00882	2.4
113.02463	4.8
123.00887	6.8
124.01702	1.5
125.02459	69.5
125.16718	1.3
126.02793	2.3
127.00458	1.2
129.01930	6.3
132.58075	1.1
135.04494	1.4
139.00365	3.6
140.01158	2.0
147.03015	1.4
150.05623	2.4
151.00365	4.8
159.44739	1.3
165.02107	1.0
168.00626	4.8
169.01440	100.0
170.01743	3.5
173.00948	1.3
175.03998	1.1
177.01923	1.4
191.01979	10.8
192.02306	1.9
193.01416	3.1
205.03485	1.6
209.03069	11.9
211.02541	3.0
223.04613	2.1
236.66043	1.1
247.02391	1.4
271.04553	1.6
295.04584	1.4
300.99820	2.5
313.05719	15.1
331.06696	2.1
465.06644	5.7
483.07895	19.5
635.08954	77.8
636.09314	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	725.116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	5.3
71.26813	8.7
90.00481	3.9
95.01389	9.7
97.02970	4.6
108.02196	5.1
109.02969	15.5
123.00884	9.0
125.02454	100.0
126.02802	5.5
132.35017	4.4
135.00804	3.5
137.02463	7.9
145.02963	6.0
159.04543	7.2
161.02464	13.4
163.00381	17.9
163.03990	5.2
165.01819	4.7
169.01436	85.0
171.04552	6.1
173.02498	4.8
175.04044	7.2
176.01147	15.9
177.01979	25.0
183.04448	6.8
184.73674	4.6
185.02382	6.6
185.06073	5.8
187.03995	8.6
189.01909	10.1
199.04041	9.1
201.05545	7.7
211.04054	19.7
213.01877	7.7
213.05750	4.5
215.03539	8.9
216.00633	7.3
217.04984	9.1
223.72176	4.8
227.03497	16.0
239.03365	7.9
243.02681	6.7
245.04509	14.1
253.05190	8.1
255.03017	37.8
256.03726	13.8
257.04462	7.5
267.02994	8.6
268.03830	4.8
269.04517	6.0
279.03101	6.8
281.04688	10.8
282.01865	6.0
283.02509	73.9
284.03214	34.1
285.04007	69.0
286.04407	9.0
289.07199	5.6
293.04669	5.9
296.03281	5.8
297.04025	11.6
320.03421	13.4
321.04022	9.8
323.05624	7.5
325.03522	15.2
327.21771	5.4
365.06772	5.2
396.59805	4.6
402.46362	4.3
421.05350	4.9
429.06232	67.5
430.06555	16.7
447.07312	69.6
448.07578	14.7
511.10699	7.7
529.11609	5.7
555.09357	66.1
556.09460	13.1
573.10431	99.7
574.10736	19.9
599.08533	4.7
725.11414	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12407	13.3
69.12812	4.6
71.01385	6.9
72.08662	2.0
72.99320	1.7
83.01408	2.1
85.02953	2.3
85.76472	1.8
88.98809	9.1
95.01401	2.4
98.21796	3.7
101.02387	2.0
107.01431	10.0
111.00842	2.6
113.02464	4.2
116.92864	4.0
117.92909	2.5
118.92727	2.2
123.00893	13.6
124.01702	3.8
125.01553	4.2
125.02460	70.6
125.06142	2.5
126.02805	3.1
139.00395	8.0
140.01157	4.5
143.07198	5.2
151.00415	7.8
153.01984	2.1
166.99893	2.2
167.03452	3.2
168.00667	7.7
169.01439	100.0
170.01820	5.2
179.03554	2.1
183.02965	4.0
184.05322	1.9
193.01450	7.1
211.02556	5.5
223.02493	3.5
247.99579	1.8
295.04688	3.7
297.06174	3.8
300.99957	9.7
313.05655	35.2
314.05994	3.4
340.03220	1.9
443.70148	2.0
465.06717	59.4
466.07053	11.2
635.12561	90.5
636.13159	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
61.98831	1.9
65.00317	0.9
67.01881	2.8
68.99211	8.1
68.99809	0.9
69.03450	2.7
71.01369	3.1
72.09384	0.7
72.99291	1.4
73.02940	1.0
78.95867	0.8
79.01912	2.2
81.03492	1.5
83.01379	1.1
87.00903	0.9
89.40653	0.8
95.01404	8.2
96.96052	1.6
97.02962	3.2
101.02515	1.0
107.01396	23.1
108.01694	0.8
111.00890	5.0
119.05042	1.1
123.00894	24.9
124.01673	2.7
125.02455	100.0
126.02785	4.2
127.00444	2.0
135.04530	1.9
136.98828	3.9
138.99297	1.1
139.00366	9.7
140.01172	7.6
141.01952	2.3
147.04587	1.1
151.00400	6.3
153.02020	1.4
161.02463	1.0
163.04008	1.6
166.99841	7.4
167.99272	0.7
168.00635	12.3
169.01439	99.2
170.01843	4.5
171.10313	2.1
175.04022	2.2
193.05086	1.0
201.11452	1.1
209.11922	2.2
209.15210	0.8
211.02565	0.9
220.98610	0.8
225.11426	2.3
237.04083	0.9
249.04068	3.6
253.09189	0.8
295.04559	0.9
301.00143	1.2
313.05884	1.6
314.10434	0.8
368.54300	1.1
385.09338	2.7
386.10013	0.9
387.10712	1.2
403.10358	9.9
404.10663	1.8
421.11404	19.3
422.11575	3.8
555.11420	28.1
556.11646	5.4
573.12524	48.9
574.12830	8.3
725.13617	77.6
726.14014	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	725.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01380	9.8
61.07470	0.8
62.97421	0.8
68.99801	1.1
69.03432	1.3
69.24184	0.8
69.59377	3.4
71.01384	9.3
72.99314	3.3
73.02927	1.4
75.00877	11.5
75.10354	0.7
75.19225	0.7
78.22868	0.8
81.75007	0.7
83.01393	1.1
85.02960	13.0
87.00874	3.5
88.29920	0.7
89.02472	2.2
91.04019	1.1
93.03445	1.2
95.01402	3.4
99.00890	7.4
103.00381	1.9
113.02458	11.6
115.00340	1.8
117.01998	1.5
121.02964	59.8
121.22101	0.9
122.03294	2.8
125.02482	0.9
127.18189	0.9
128.89560	0.8
129.01955	1.3
163.04010	1.0
169.01382	1.2
174.77496	0.8
175.02443	2.4
189.04010	1.2
231.05093	4.2
249.06154	37.1
250.06511	1.6
275.02017	1.2
300.99854	5.3
371.09848	100.0
372.10147	11.3
589.58972	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	725.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97217	1.1
57.02851	1.2
59.01387	6.9
61.98838	20.3
69.17086	12.1
71.01385	14.4
78.27151	1.2
81.03478	2.4
81.97976	1.2
83.05025	5.9
83.52394	1.4
87.90399	1.3
89.02452	1.6
97.02928	2.2
99.00899	1.5
99.95123	1.3
101.02462	3.8
109.06596	16.9
113.02480	2.4
123.64548	1.5
135.08211	2.8
138.76920	1.3
142.02707	1.6
145.05025	1.4
149.57478	1.3
161.04608	1.8
163.11270	10.2
169.01308	1.7
170.38113	1.3
171.10294	4.8
181.12399	3.8
182.87201	1.3
189.09229	1.9
191.10864	1.7
197.11708	1.4
201.11449	1.7
207.10271	47.2
208.10533	2.4
209.11852	100.0
210.12195	6.0
211.13425	2.1
225.11328	30.8
226.11723	2.4
227.12915	16.0
228.13187	1.8
233.37610	1.3
235.08228	3.5
253.09296	12.0
281.49518	1.5
399.21860	2.5
417.22900	2.1
428.07693	1.4
435.23801	1.9
461.20258	7.9
635.30310	1.7
637.08136	1.7
653.31952	2.2
671.33124	6.3
672.33209	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	725.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15482	3.0
55.22473	3.1
59.01379	3.2
59.81426	3.1
61.98560	3.0
61.98825	20.1
65.68130	2.9
70.23715	11.9
71.01357	4.6
94.98463	3.4
96.96095	2.9
98.21958	4.8
101.02454	4.1
130.11525	3.0
180.93376	3.3
183.13855	4.7
204.02563	3.1
209.11858	60.4
211.13405	100.0
212.13754	10.0
227.12823	18.6
235.08238	8.0
253.09276	9.1
447.22296	14.2
467.61685	3.7
557.32294	4.0
621.32281	4.2
639.34320	5.9
657.35376	6.1
725.35272	26.2
726.35486	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	725.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91289	55.9
58.92502	52.3
67.12723	57.1
71.15953	68.5
92.39452	52.6
112.45021	60.8
112.65311	55.0
119.05027	96.6
163.04008	100.0
209.11836	88.4
211.13463	79.8
215.77101	51.0
508.31897	54.6
536.27240	60.0
546.34625	55.4
682.16803	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.5
60.94724	0.6
61.98832	1.4
69.03465	1.1
71.01395	3.8
71.50764	0.6
73.02943	0.8
83.01395	1.1
83.05048	0.7
85.02969	1.3
87.00881	1.0
89.02473	3.0
95.01447	0.7
96.96019	0.5
97.06571	0.6
100.02399	0.5
101.02463	5.0
113.02471	2.1
113.09743	0.9
115.07625	0.6
119.03515	0.8
119.04884	0.6
123.00870	1.0
125.02457	2.0
141.09200	1.0
145.05055	0.8
151.11325	0.5
153.12865	1.2
161.04536	1.5
165.12885	2.2
167.14381	0.8
169.01468	2.6
169.12367	6.4
171.10379	0.6
179.10759	1.1
181.12357	1.8
183.13882	0.7
185.11794	0.6
193.12270	0.8
195.13931	1.4
197.11848	100.0
198.12166	6.0
199.13391	0.7
209.11940	1.2
211.13426	2.4
221.15469	2.2
228.99350	0.6
229.14409	0.8
235.08252	4.9
245.19109	0.5
247.20622	1.8
253.09314	11.5
255.15979	0.8
273.18634	1.7
279.19696	0.6
281.21210	1.0
291.19705	23.4
292.20142	2.9
293.21295	0.7
309.20740	69.0
310.21088	7.8
315.02567	1.2
433.20776	4.2
451.26129	0.6
471.31354	0.6
527.29016	3.5
528.29041	0.8
545.29688	11.2
546.30017	1.6
583.31354	0.7
679.17181	0.6
707.40430	1.9
725.41119	5.0
726.41296	1.4
757.86273	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	727.1161
Annotation	hyemaloside A
Peak:m/z	Relative Intensity
65.52779	0.9
67.01890	1.9
69.03448	3.2
71.01378	3.4
79.01904	2.0
85.02975	1.1
87.00905	1.9
95.01383	5.9
96.35429	0.9
97.02964	3.9
107.01395	14.5
108.02194	4.0
109.02969	4.0
110.00108	1.0
111.00868	4.3
122.38223	1.0
122.53411	0.9
123.00900	27.2
124.01675	3.0
125.02463	96.9
126.02783	4.4
136.98825	2.8
139.00378	8.4
140.01184	7.2
141.01965	1.9
143.03529	1.0
145.02968	1.1
147.04539	1.1
149.02486	1.1
151.00400	5.0
163.04010	1.4
166.99864	7.1
168.00642	11.5
169.01440	100.0
170.01819	3.8
175.03995	2.2
177.02104	1.1
179.03595	1.0
191.03561	1.6
207.02982	1.2
211.02446	1.3
219.03030	1.3
229.01563	1.0
237.48174	1.1
247.02609	1.1
249.04141	2.2
273.00275	1.0
275.02170	1.8
279.05093	1.1
295.04803	2.5
297.05838	1.4
300.99924	2.1
313.05640	5.3
389.08643	1.6
405.08359	5.7
405.26346	0.9
423.09277	11.2
557.09302	22.8
558.09760	4.1
575.10522	35.4
576.10797	7.1
727.11572	72.7
728.11975	17.3
728.24200	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	727.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03465	9.2
59.01379	8.9
68.99807	1.7
70.24445	3.8
71.01385	7.7
72.99307	2.9
83.01405	2.7
84.02188	2.9
85.02956	98.6
86.03296	2.1
87.00853	6.0
89.02447	4.0
92.92494	1.0
95.01415	1.4
97.02993	1.4
103.00382	2.4
109.03004	1.3
109.15800	1.4
119.05032	1.4
129.01942	6.9
133.01437	4.8
135.04523	1.2
139.00333	1.4
147.02998	10.4
157.01428	1.2
170.07961	1.2
175.02525	2.4
179.03661	1.2
191.01990	45.0
192.02406	1.5
199.02473	2.1
204.47363	1.2
209.03041	100.0
210.03384	5.3
255.10298	2.0
303.07535	1.4
343.07950	1.6
355.06696	22.2
356.07132	2.9
371.05969	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	727.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.03444	6.7
57.47461	1.3
59.01379	9.7
67.01154	1.5
70.78653	3.2
71.01396	11.8
71.01730	2.1
72.99325	3.2
73.02948	2.5
80.36993	1.5
83.01372	2.1
84.02181	1.7
84.16061	1.4
84.79984	1.5
85.02958	100.0
86.03325	3.4
86.03948	1.5
87.00893	15.8
89.02467	3.7
95.01405	3.7
97.02946	2.8
101.02487	1.6
109.02949	2.7
127.03945	2.3
129.01936	5.9
129.07762	1.6
133.01424	3.5
135.04576	2.1
139.00360	2.1
147.02994	7.5
148.18445	1.4
154.84593	1.8
163.04068	1.6
175.02483	7.7
182.74796	1.4
191.02005	37.8
195.38654	1.7
199.02527	5.8
209.03044	95.4
210.03447	3.2
217.03514	4.0
255.10188	2.1
285.05954	2.1
303.07074	1.8
343.08185	2.8
345.08221	1.9
355.06680	13.6
371.06171	3.1
492.67438	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	727.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30759	1.5
55.01873	3.0
57.03449	9.9
59.01381	34.5
67.01893	4.1
68.99805	2.1
69.03455	9.5
70.04482	1.2
70.25253	4.5
71.01385	24.1
72.99306	1.5
73.02947	9.4
79.65081	1.5
81.03469	4.0
83.01390	6.0
83.05043	2.3
85.02959	82.7
86.03295	1.9
87.00888	100.0
93.03465	8.8
95.01389	21.9
97.02957	28.7
99.00924	2.7
99.04517	3.8
101.02452	2.5
103.04031	6.1
108.02182	2.3
109.02954	10.7
111.00877	8.5
113.02461	21.5
115.00366	12.6
121.03008	1.7
123.04512	1.3
125.02502	1.7
127.04045	16.4
129.01985	5.1
137.02489	3.6
139.00404	17.0
141.05569	1.8
145.05096	4.6
153.01923	1.5
155.03564	2.9
157.01451	9.8
169.05077	1.8
171.03040	1.9
173.04643	2.6
175.02501	58.9
179.03528	1.8
181.01425	2.5
181.04926	1.8
191.01950	12.3
199.02493	38.6
200.02881	3.2
201.47313	1.5
209.03081	29.2
210.03386	2.9
217.03557	21.5
253.03461	1.5
256.10110	1.6
285.06311	2.6
300.99802	2.3
303.07248	16.7
321.08167	8.3
345.08194	5.8
355.06662	2.6
387.09387	14.1
395.76785	1.6
405.10349	4.9
425.43991	1.8
557.41089	1.6
623.14789	5.6
639.31708	2.0
685.18610	2.1
709.18567	12.9
710.18433	2.0
727.19403	15.8
728.19550	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	727.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21910	5.1
59.01387	9.8
61.98827	13.3
65.97045	5.0
71.01372	11.0
71.25743	6.4
71.26172	6.7
87.00887	6.4
91.71786	5.0
92.05704	5.0
93.30218	6.0
95.01396	8.3
98.22320	5.9
101.02449	5.8
105.94149	5.0
106.28549	4.6
117.03455	6.9
125.02435	7.8
133.02989	7.7
145.02971	16.7
157.02882	8.3
160.01616	7.3
161.02480	28.8
163.03999	9.6
171.00835	13.2
171.10287	8.1
172.01549	10.0
173.02437	16.2
188.01135	9.2
189.01923	36.9
190.02588	9.1
191.03430	13.5
193.98589	12.9
197.02568	5.3
199.00308	14.6
200.01125	11.5
201.01962	31.9
201.11359	12.7
203.03441	9.2
205.01471	6.7
207.10228	12.3
208.98842	5.6
209.11810	25.1
210.12175	7.1
211.13391	44.6
214.99937	17.7
216.00482	9.7
217.01366	24.9
218.13109	7.9
225.11337	9.4
226.99832	13.1
227.12831	7.6
229.01373	26.4
233.00911	5.5
233.15424	22.5
235.08203	11.1
242.99335	24.8
244.00117	8.6
245.00873	25.6
247.02473	13.9
253.09171	12.2
254.99277	13.3
257.00864	12.1
259.99664	20.0
261.00534	8.5
270.98889	48.4
271.99564	13.3
273.00430	36.5
287.01917	11.3
298.98401	100.0
299.99008	17.5
300.99777	27.5
303.01089	6.7
305.03159	7.1
331.01019	9.8
350.07794	6.4
385.01941	10.4
411.60751	6.1
624.21295	6.9
639.20557	17.7
651.20520	19.0
651.39001	5.4
652.22302	5.7
664.31738	5.4
667.19958	53.2
677.18762	16.3
695.20288	47.7
696.20068	12.1
709.21423	53.4
710.21399	19.5
727.22607	22.7
728.22247	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	727.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85983	1.5
57.03447	1.4
69.05264	9.3
69.05685	3.3
82.95448	1.6
88.98818	14.2
108.80129	1.2
116.92841	2.0
124.98690	1.2
145.03015	2.3
168.16519	1.2
227.03569	1.9
238.78395	1.2
243.02950	7.0
244.03798	1.6
254.02271	2.2
255.02989	16.2
256.03610	2.5
271.02527	34.1
272.02985	4.4
299.01987	6.1
300.02783	100.0
301.03064	11.1
313.03543	1.4
315.05127	84.3
316.05588	9.0
486.16183	1.6
637.21851	2.2
727.26245	24.0
728.26978	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	727.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20655	0.6
55.25138	0.6
59.01384	100.0
60.01726	1.6
61.98824	1.7
68.10322	0.6
103.00469	9.3
103.01504	61.6
117.54784	0.8
137.83151	0.8
139.71797	0.7
145.02997	1.3
209.54254	0.7
228.68188	0.7
250.39806	0.7
267.06741	2.3
282.09100	2.7
297.11380	3.7
315.05634	0.7
430.13232	2.4
445.15665	1.1
460.17648	6.2
461.18088	1.1
535.57111	0.8
623.24139	11.5
624.24255	4.0
643.21930	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	727.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38278	2.1
55.45624	2.0
59.01386	2.3
60.05719	2.4
61.98820	2.8
83.05011	3.4
98.21790	4.5
98.22477	8.7
100.53071	2.1
101.66133	1.9
122.47356	2.0
125.02412	3.2
167.14502	2.4
169.01418	2.9
201.11331	31.9
209.11847	100.0
210.12144	8.9
227.12906	28.8
232.86705	1.9
235.08243	5.1
243.57964	2.3
253.09229	13.2
266.44623	2.4
275.02057	2.2
300.99869	3.3
390.02435	3.2
437.20026	3.3
445.20804	12.5
629.31689	4.0
637.33240	2.8
727.33063	17.7
728.32727	4.8
756.36530	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	727.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	24.4
76.99067	23.8
79.63274	23.2
85.35788	23.6
171.10295	100.0
198.88731	26.4
277.21832	78.2
309.20782	63.0
657.61523	29.3
727.42987	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56435	47.1
57.10133	40.9
95.13414	46.0
98.21729	100.0
107.40836	45.2
117.73694	41.7
145.19510	56.9
171.10306	91.3
213.08646	48.9
271.36780	46.4
504.84894	45.3
508.89459	50.0
574.17596	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35986	0.5
55.08266	0.6
63.96224	1.0
64.97030	2.8
71.26896	0.8
72.00911	3.1
79.95741	12.1
80.96528	7.0
85.02972	0.6
95.97623	27.9
96.96027	13.2
111.34535	0.5
118.06653	16.1
119.07037	0.7
139.29456	0.5
147.03381	0.9
147.04543	16.0
148.04857	0.9
150.50201	0.5
164.07178	41.9
165.07507	3.1
166.36966	0.6
169.01443	1.5
198.02341	0.8
225.97023	0.5
226.01802	2.0
244.02861	100.0
245.03185	6.6
247.02530	1.2
260.95447	0.6
275.02020	0.8
300.99829	1.0
483.07925	1.0
535.63995	0.6
613.04132	0.8
633.06897	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	728.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09075	0.4
63.96215	1.0
64.97034	3.1
71.25896	0.6
72.00916	5.2
79.95742	12.8
80.96526	7.5
85.02979	0.5
94.79102	0.4
95.97624	35.7
96.96021	7.4
118.06645	16.8
119.07040	0.8
125.02409	0.6
130.96289	0.4
147.04532	16.9
148.04903	1.2
162.05466	0.5
164.07181	44.6
165.07533	2.6
198.02327	1.4
210.13727	0.4
226.01846	2.4
231.03143	0.4
235.68242	0.4
244.02866	100.0
245.00888	0.7
245.03183	7.2
266.81799	0.4
273.66199	0.4
275.01950	0.5
290.33313	0.5
300.99902	0.5
376.02969	0.4
380.50110	0.4
418.64352	0.4
440.79245	0.4
613.04877	0.5
740.46057	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	728.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98515	5.1
61.98837	100.0
69.77324	6.6
69.77727	10.5
74.19337	2.6
74.21840	3.1
79.99026	2.7
81.76390	2.9
91.21548	2.9
98.22520	3.3
108.63625	3.1
119.26832	2.9
214.83612	2.9
228.49818	3.0
259.97110	3.0
535.69550	3.5
582.16589	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	728.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
61.69864	1.7
61.98818	7.5
70.81730	1.8
84.81841	1.7
85.00443	3.2
89.02432	2.6
98.21873	7.2
98.22543	3.8
101.02483	2.3
116.92844	2.4
125.02414	2.0
169.01498	2.7
175.48694	1.6
182.34819	1.8
183.13899	5.2
195.13890	6.8
205.12323	7.2
211.13420	100.0
212.13820	8.1
213.16531	1.9
223.11307	3.6
223.13416	59.4
224.13725	6.7
228.90982	2.2
235.08229	3.3
253.09242	5.7
274.58942	1.8
367.11914	2.0
385.19537	2.0
441.21719	2.2
447.22427	12.1
459.22446	12.3
464.84784	1.9
473.99329	1.9
520.95483	2.1
627.54279	2.2
635.34167	4.2
636.34894	2.8
653.35413	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	729.147
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03461	12.6
64.31644	1.3
69.24380	5.8
69.24802	4.5
81.03487	1.8
82.52026	1.2
83.01408	3.8
93.03457	1.8
97.02995	2.8
107.01346	1.5
107.05042	1.4
109.02956	15.3
121.02989	2.8
123.00914	1.7
123.04542	11.5
125.02467	100.0
126.02821	4.7
131.05058	1.6
133.02983	5.1
135.04539	3.1
137.02457	18.0
145.02991	4.7
146.03751	1.6
149.02484	4.5
150.03285	2.5
151.04036	12.8
151.28816	1.5
159.04486	6.9
161.02472	21.9
161.06129	4.8
162.02974	2.0
163.00410	2.8
164.01213	4.0
165.01956	3.9
166.24030	1.5
166.29646	1.4
169.01431	26.1
170.01756	2.8
175.03998	9.0
177.01959	9.0
179.03595	3.5
183.04568	2.7
187.04079	6.0
188.04668	1.6
196.89728	1.5
199.04048	3.8
203.03429	1.8
203.07195	7.1
205.01506	1.9
205.04999	6.6
211.04070	2.0
213.05554	2.4
217.05115	4.5
222.68565	1.4
227.03552	3.0
228.04219	2.4
229.05060	3.7
243.02992	7.6
244.03548	1.6
245.04518	7.3
245.08138	9.0
253.05168	3.3
255.03006	13.8
256.03799	6.9
257.04636	3.3
269.04651	4.8
270.05182	1.7
271.06140	8.6
273.04114	1.8
281.04575	2.8
285.04099	3.8
287.05530	7.0
289.07214	47.8
290.07553	5.8
299.05655	4.1
303.05112	4.6
329.06430	1.7
339.08722	3.0
381.10117	2.8
389.06830	8.3
407.07764	96.1
408.08176	15.5
409.87775	1.6
425.08838	5.4
433.09375	5.1
441.08319	9.6
451.10361	14.2
452.10715	3.1
541.11517	2.2
559.10101	4.7
571.14716	1.6
577.11957	5.6
578.13483	1.5
603.11530	2.1
634.23523	1.5
644.36560	1.9
729.14728	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	729.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84650	2.2
57.03456	14.1
65.20154	2.3
70.42505	6.9
72.83801	2.3
83.01394	5.3
109.02960	16.7
123.04538	10.5
125.02462	100.0
126.02823	4.1
133.02988	6.1
135.04543	3.7
137.02441	15.1
145.03041	3.8
149.02469	5.3
151.04031	11.9
159.04556	6.6
161.02437	24.7
161.06085	4.7
162.02896	2.4
164.01205	4.2
165.01953	4.2
167.03659	3.0
169.01463	24.3
169.02849	3.2
174.03435	2.1
175.04037	11.6
177.01988	10.2
179.03481	4.7
185.06114	2.6
187.04092	7.5
188.04779	3.7
201.05563	2.6
203.03510	2.5
203.07159	9.9
205.05107	4.1
217.05103	3.3
225.05629	2.3
229.05161	3.7
243.02988	4.6
245.04582	7.9
245.08269	10.0
255.03021	13.0
256.03824	4.1
269.04617	3.2
271.06061	11.2
281.04715	3.5
285.04123	3.7
287.05698	9.7
289.07211	57.0
290.07593	5.9
299.05728	3.6
339.08804	3.1
389.06812	4.6
393.35364	2.3
407.07751	79.5
408.08072	12.5
425.08966	6.7
433.09259	6.1
441.08194	13.5
451.10449	18.2
452.11197	3.6
577.13159	9.7
603.11249	3.0
729.15167	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	729.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	5.7
59.01392	1.6
69.03468	0.9
70.02968	2.9
71.01387	1.9
72.04568	1.2
74.02486	35.8
83.01397	1.9
85.02956	2.6
95.01390	1.0
97.02964	1.3
98.02489	7.4
107.01419	3.3
108.02203	3.5
109.02972	13.5
111.00920	1.3
113.02496	1.3
116.03568	15.9
121.02966	1.4
123.00893	8.8
123.04500	4.9
124.01711	1.2
125.02463	63.0
126.02796	3.0
128.03529	2.6
132.04564	11.7
133.02966	1.4
135.04613	1.3
137.02467	8.0
139.00394	4.0
140.01180	2.0
144.04581	2.9
145.02980	2.0
149.02470	2.6
151.00404	6.0
151.04004	4.9
159.04527	2.8
161.02457	10.4
161.06131	1.8
163.00313	0.9
163.04034	1.7
164.01151	1.6
165.01967	2.1
167.03574	1.1
168.00613	2.3
169.01443	39.1
170.01781	1.0
175.04039	3.8
177.01935	3.4
179.03490	2.5
183.04576	1.2
187.04044	4.0
188.04854	1.3
199.03984	1.1
201.06828	4.4
203.07156	2.5
205.01451	1.5
205.05078	2.3
217.05135	1.0
219.07750	1.7
227.03522	1.3
227.07133	1.0
229.05005	1.1
243.02988	3.0
245.04633	2.6
245.08087	4.7
253.05344	1.3
255.03072	4.3
256.03821	2.5
261.08832	36.8
262.09177	3.9
269.04611	2.3
271.06210	4.7
273.03964	1.3
281.04565	1.3
285.04010	1.5
287.05560	4.6
288.06049	1.0
289.04245	1.9
289.07230	24.0
290.07590	2.3
303.05130	1.6
312.04471	1.0
313.05652	5.9
381.09650	1.4
389.06644	2.3
407.07733	34.6
408.08185	5.5
423.09375	100.0
424.09702	15.1
424.15295	1.0
425.08749	3.4
433.09418	3.1
441.08347	3.5
451.10611	6.3
476.69705	1.0
559.10278	2.0
577.13593	4.7
578.13702	2.2
603.11853	1.4
749.50238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67893	3.5
55.00295	4.6
61.98838	8.0
69.11813	14.0
69.12232	22.2
72.17332	3.9
73.02024	3.8
76.00533	3.7
80.62961	4.1
81.24966	3.9
82.95412	3.9
85.74977	3.8
86.56559	3.6
91.36932	4.2
117.03469	5.9
122.03760	12.9
125.02480	9.2
133.03023	4.6
137.02470	6.1
145.02934	14.1
147.04489	6.5
161.02449	22.2
163.04013	6.7
169.01456	5.8
173.02449	18.7
177.01871	8.6
179.03484	4.6
189.01938	25.2
190.02675	12.6
191.03505	35.8
201.01883	11.5
203.03499	6.8
205.01460	9.0
217.01401	45.8
218.01978	12.6
219.02991	12.8
229.01401	12.7
245.00926	45.4
247.02510	27.2
251.16618	14.2
270.98813	5.4
273.00433	100.0
274.00864	8.7
298.98300	19.8
299.39597	4.2
300.99832	11.3
301.03009	4.9
490.20264	4.3
631.23987	11.3
659.23468	18.2
669.21478	4.4
670.21979	5.0
687.23047	76.2
688.23114	16.7
713.19977	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	732.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	4.0
63.02374	2.1
65.00314	2.4
79.51508	1.5
92.21655	1.2
96.95993	1.4
107.01382	2.1
107.74045	1.3
108.02240	1.5
109.02962	1.4
121.02976	1.7
125.02444	3.0
135.00900	2.2
145.02895	1.4
151.00381	9.2
161.02478	1.5
163.00427	3.7
177.01884	1.9
178.99898	5.3
187.00441	4.0
190.99982	1.6
203.22408	1.4
213.76842	1.3
213.99043	1.7
214.99944	3.5
227.03534	1.7
229.01418	1.6
242.99278	2.0
243.02991	7.3
247.02399	1.5
255.02995	18.6
271.02512	36.2
272.02948	5.7
283.02573	3.3
286.98477	2.5
298.10953	5.6
299.01791	1.4
299.99304	1.9
300.02780	62.2
301.00070	4.9
301.03497	65.3
302.03934	6.1
313.98813	1.4
424.57712	1.6
433.07761	100.0
434.08139	14.4
733.03174	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	732.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21593	0.2
59.01385	0.3
61.98835	100.0
62.98547	0.3
69.03338	1.8
71.01385	0.5
75.00861	0.2
82.65942	0.2
83.05040	0.2
83.92893	0.2
84.02165	0.2
89.02455	0.3
96.48391	0.2
101.02455	0.3
118.98634	0.2
125.02420	0.2
161.04556	0.2
163.11317	0.3
165.12904	0.4
171.10278	0.5
183.13934	0.5
209.11845	10.0
210.12254	0.7
211.13409	11.8
212.13695	1.0
222.83386	0.2
227.12881	1.8
235.08357	0.5
253.09247	1.1
296.88092	0.2
299.70584	0.2
317.98502	0.2
446.27451	0.2
447.22632	1.2
448.23096	0.2
613.01392	0.2
655.04315	0.2
753.32263	0.2
754.31653	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	732.382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83342	0.9
59.01381	2.8
59.84559	0.8
61.98837	100.0
65.94171	0.8
66.46465	0.9
68.14203	0.7
69.14176	3.1
69.14606	4.3
70.38853	0.8
70.83367	0.9
71.01398	2.9
75.00883	1.7
83.05045	2.5
89.02445	1.6
98.22550	1.7
101.02460	1.2
163.11287	2.1
165.12877	1.2
171.10323	1.6
179.05605	0.9
183.13918	2.3
197.11967	1.0
209.11855	63.7
210.12195	6.0
211.13420	67.1
212.13794	4.2
227.12924	11.1
230.67424	0.9
235.08237	2.1
253.09314	5.7
259.15393	1.0
281.81302	0.9
407.92612	1.0
417.62238	0.9
436.96378	0.8
444.48233	1.0
445.20950	1.8
447.22348	6.9
621.33044	1.5
639.34485	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	733.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38391	0.2
69.24848	0.2
69.66858	1.2
78.58035	0.2
79.95306	0.3
79.95747	3.8
94.71301	0.2
96.53129	0.2
96.96020	100.0
97.95943	0.3
98.21772	0.2
101.02449	0.2
107.01396	0.5
123.00954	0.3
125.02460	7.9
126.02778	0.3
168.00677	0.5
168.99997	0.5
169.01442	11.1
170.01805	0.9
180.04428	0.2
193.01257	0.2
211.02548	0.8
231.16757	0.3
265.46799	0.2
271.04636	0.7
295.04489	0.5
295.25900	0.2
300.62262	0.2
313.05795	0.5
423.05350	0.3
465.06769	0.7
471.67313	0.3
483.07788	0.9
635.08966	12.0
636.09344	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	733.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20588	0.1
56.70234	0.2
58.08650	0.2
61.07396	0.2
66.03537	0.2
71.01373	0.4
71.27177	0.3
79.95750	3.2
96.96022	100.0
97.95959	0.5
107.01424	0.4
111.00886	0.2
123.00883	0.8
125.02465	5.9
140.01155	0.2
142.31471	0.2
151.00409	0.6
151.04050	0.3
161.02464	0.3
167.03578	0.2
168.00699	0.3
169.01442	7.6
170.01784	0.3
175.04044	0.2
193.01443	0.6
211.02505	0.4
223.02504	0.3
224.97154	0.2
228.73105	0.2
236.64297	0.2
251.03717	0.2
266.98312	0.3
272.38098	0.2
278.76181	0.2
295.04614	0.3
297.06320	0.2
313.05640	2.7
314.05951	0.4
331.64166	0.2
341.97238	0.2
400.98621	0.2
442.99722	0.3
465.06754	12.9
466.07074	2.0
635.08893	3.0
636.09338	0.8
673.03870	1.5
674.03552	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	733.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	0.5
71.27807	0.3
77.26615	0.2
79.95747	3.2
81.97133	0.2
82.95403	0.3
85.02926	0.2
96.96018	100.0
97.95954	0.5
107.01401	0.6
111.00924	0.3
123.00896	0.6
125.02456	10.6
126.02797	0.5
139.00317	0.3
151.04008	0.2
153.01953	0.2
168.00621	0.6
169.01437	13.3
170.01762	0.7
189.19261	0.2
193.01451	0.5
211.02493	1.4
241.03572	0.2
271.04602	0.6
295.04675	0.2
302.34427	0.2
313.05725	0.8
392.47485	0.2
423.05621	0.3
465.06787	1.5
466.07318	0.3
483.08081	0.6
635.08917	13.5
636.09308	2.9
637.08826	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	733.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33301	6.4
59.01377	51.7
59.96187	5.5
68.40834	5.5
71.01397	32.8
71.26308	7.1
71.26688	7.4
72.99329	6.6
73.02951	14.9
83.01399	15.5
83.23630	5.2
85.02972	6.8
87.76915	6.8
88.43615	6.0
89.02467	6.3
96.96032	16.4
97.02977	6.8
99.00907	8.1
101.02479	28.2
108.02187	14.0
113.02444	26.8
123.00915	5.9
123.04585	7.3
125.02428	16.1
127.00371	7.6
143.03561	6.4
157.02980	6.4
158.03667	7.6
161.79013	6.3
169.01396	16.1
173.06042	9.5
200.01143	23.3
217.05157	8.4
228.00705	65.3
229.01450	61.8
237.05569	29.3
243.03012	100.0
244.03200	11.0
252.08064	7.8
264.04453	9.5
265.05063	30.5
266.05750	14.9
267.06534	20.5
279.06638	16.7
280.07458	28.8
281.05426	8.6
281.08221	59.4
282.08936	22.0
283.06146	24.6
291.03043	8.1
292.03860	11.6
293.04565	12.9
295.09763	44.2
296.06802	9.7
297.07480	7.1
297.10944	8.3
300.99954	18.9
305.08804	9.2
306.05338	14.6
307.05942	12.9
308.06891	17.8
323.09378	68.0
325.07172	11.7
326.07898	19.6
334.04962	9.9
339.08875	28.9
341.10318	69.9
342.10626	9.0
349.07104	50.2
350.07840	12.3
351.05096	10.9
366.07358	10.4
367.08243	89.5
368.08679	12.5
413.12515	10.4
467.13516	10.9
511.12637	14.0
571.17377	8.4
609.14435	7.8
629.19019	12.5
647.19916	8.9
674.20435	6.6
689.21106	52.3
690.21545	12.0
733.20026	54.8
734.20374	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81002	0.8
61.98830	2.8
65.00317	0.8
71.26327	1.1
78.87769	0.7
91.01925	1.4
97.02945	1.0
109.02966	1.8
117.03525	1.6
119.01431	0.9
119.05025	0.9
122.03758	4.8
123.00885	1.0
125.02411	1.1
129.03499	1.0
134.39220	0.8
135.04535	1.0
137.02451	6.1
145.02983	3.2
147.00877	1.1
147.04567	2.2
149.02441	1.5
149.06134	0.9
157.02977	2.8
159.04543	2.7
161.02483	1.6
163.00383	23.4
163.01677	1.8
163.03998	1.9
164.00986	1.8
165.01942	5.5
169.01463	1.9
173.02481	4.4
175.04012	2.5
177.01988	2.2
177.05505	1.1
178.99901	1.1
185.02464	5.8
187.04019	1.4
189.01949	1.8
190.02719	1.5
190.99867	2.4
191.03537	4.0
192.00490	0.8
193.01439	2.5
201.01945	7.9
203.03529	9.2
206.99303	2.6
208.00089	1.8
209.00932	3.1
213.01996	2.9
217.01457	2.1
218.02086	0.9
218.99403	1.8
219.03026	2.7
221.04604	1.0
229.01411	10.7
230.01953	2.6
231.02994	5.6
237.00456	1.6
238.50447	0.8
245.00880	6.3
246.01445	1.1
247.02551	4.3
249.04100	1.6
250.15723	1.0
251.16589	3.7
257.00940	34.5
258.01456	5.3
273.00427	5.6
274.00974	1.9
275.02002	52.8
276.02310	4.3
283.99615	1.4
293.02927	2.3
299.99222	1.2
300.99921	100.0
302.00253	7.4
303.75995	1.0
319.01053	3.6
353.05344	1.3
440.58810	0.8
506.92258	0.8
571.18231	2.0
603.20892	1.8
633.21899	1.7
687.23181	1.8
689.24640	10.6
690.25415	1.2
715.22504	14.1
716.22681	3.2
733.23499	16.3
734.23724	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	733.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01387	6.6
65.00317	0.7
67.01893	1.7
69.03463	1.5
71.01393	5.2
72.99314	1.1
73.02953	0.9
79.01902	2.7
81.03436	0.9
82.22090	0.6
82.32389	0.6
82.61468	0.6
83.01387	2.2
84.91107	0.5
85.02957	1.7
87.00906	1.0
89.02445	2.5
95.01384	3.4
97.02962	1.7
98.21741	1.3
101.02460	3.0
107.01410	8.8
109.03017	1.2
109.53473	0.6
110.00079	0.9
111.00898	5.1
113.02465	1.8
116.92918	1.2
119.03509	1.2
121.02975	1.3
123.00010	1.3
123.00900	24.2
123.04498	1.3
124.01714	6.3
125.02463	45.9
126.02805	2.0
127.00382	2.2
133.02994	0.8
136.97952	0.6
136.98836	3.8
137.02466	2.1
138.03244	8.8
139.00400	8.2
139.04019	6.2
139.39180	0.6
140.01184	6.7
141.01921	1.8
151.00410	6.7
151.04027	4.9
153.01978	1.7
153.05557	3.9
159.04550	0.7
161.02441	1.9
163.03970	0.7
165.01920	0.8
166.02734	0.7
166.99916	3.5
167.03500	1.5
168.00655	14.1
169.01442	42.1
170.01756	1.9
175.04054	0.7
177.04109	0.9
177.05624	0.9
181.01418	0.9
182.02225	2.3
183.03006	11.3
187.04024	2.7
188.04774	2.3
189.05592	1.9
197.04588	1.9
202.06329	1.0
203.07181	1.5
210.01709	4.4
211.02519	9.3
217.08815	0.7
225.04068	16.1
226.04410	0.9
235.02252	0.6
239.05606	2.2
241.03532	0.8
243.03079	0.9
245.04659	1.3
255.05104	1.1
264.91843	0.6
269.04572	1.2
270.98642	0.7
271.04614	8.1
272.05072	0.7
284.99011	0.7
285.06186	14.5
286.06558	1.3
287.05640	1.4
289.07162	1.4
297.06406	1.2
299.07941	0.8
301.03470	0.8
303.05145	3.1
307.29156	0.7
313.05939	1.5
341.10364	1.2
355.11844	1.0
358.10486	1.4
359.11377	2.0
371.11420	1.7
373.12988	2.2
404.14664	1.4
405.15625	0.8
515.60107	0.7
567.21167	2.1
643.09290	0.8
644.09100	1.0
733.23547	100.0
734.23853	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63809	4.2
58.13596	4.2
60.99315	21.2
61.98833	6.7
71.23294	4.7
88.98817	100.0
90.79678	4.7
96.96012	7.8
114.91626	4.4
120.08183	11.0
122.06144	44.6
125.02452	14.3
134.06110	4.5
152.07176	46.1
156.88594	4.5
169.01448	16.4
183.68979	4.5
209.11711	4.8
237.10309	7.6
239.11823	5.8
279.11414	21.5
280.12061	4.4
323.10516	5.7
324.10983	5.0
402.18039	7.5
470.64941	5.7
488.17722	5.8
489.19257	7.3
520.20770	11.7
567.26025	18.3
611.25269	81.0
612.25452	17.2
643.27527	65.3
644.27991	15.4
697.19556	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	733.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.9
61.98824	3.0
69.03485	0.9
69.38618	4.3
71.01379	2.0
98.22324	1.9
101.02451	1.1
105.15058	0.6
105.76847	0.8
125.02399	1.0
159.20912	0.6
169.01489	1.3
183.13963	5.5
193.12419	1.0
203.53464	0.7
211.13414	100.0
212.13728	7.0
217.52460	0.7
235.08252	2.2
253.09328	3.6
387.25592	0.8
447.22327	9.7
448.22751	2.2
496.32434	0.9
623.34448	2.1
641.35547	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	734.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41137	1.0
61.98822	4.3
70.79719	2.6
71.01378	1.7
71.04240	1.1
93.03476	2.1
94.71966	1.0
95.01392	1.1
95.27298	1.0
98.02467	1.0
104.70422	0.9
108.02174	5.0
108.42245	0.9
109.02986	1.2
110.02516	1.0
110.84923	1.0
117.03455	1.3
119.05008	1.4
121.02966	2.4
122.03771	5.6
123.00871	2.6
123.04510	1.5
124.01690	1.4
125.02451	3.5
132.02182	10.6
133.02985	1.9
133.05353	1.9
134.03761	8.8
135.04514	12.4
136.01685	8.9
137.02469	6.0
138.03139	1.4
139.03999	1.2
145.02936	1.5
146.03752	2.4
147.04518	3.7
148.05318	39.8
149.02415	7.2
149.05956	3.2
150.02016	1.7
150.03239	36.6
151.00426	11.6
151.04041	20.0
159.04520	3.0
160.01671	39.6
160.05313	9.4
161.02414	2.4
161.06003	1.3
163.03954	1.5
164.04826	4.9
165.01939	6.0
165.05579	30.1
166.02744	16.5
166.05885	1.1
169.01453	2.4
175.04016	53.3
175.07611	4.0
176.03487	4.1
177.04268	2.3
178.05098	21.8
178.06418	1.7
179.03593	1.9
179.05415	1.3
179.07071	1.6
180.04285	4.2
181.05074	23.5
190.05139	9.8
193.05092	8.4
193.08737	2.0
195.06638	20.0
196.03745	1.2
218.08176	2.0
225.07704	2.8
253.08730	1.2
257.04181	1.2
269.06808	2.2
271.06104	1.1
282.05316	2.9
285.07614	2.0
287.09421	2.4
297.07623	2.1
297.10281	10.8
300.09998	1.8
301.10977	1.3
311.11462	1.2
312.12473	100.0
313.12906	9.8
315.08951	1.4
326.14233	2.1
327.12344	4.8
328.12048	3.7
329.10425	1.6
338.14124	4.7
356.15088	8.7
375.14526	1.9
464.16968	3.9
490.18768	3.5
494.15961	1.3
499.14688	1.6
506.99341	1.1
508.19662	5.3
517.15588	1.9
520.19788	7.4
521.20117	1.9
536.19348	1.2
538.20734	5.9
559.16809	2.8
582.22870	1.6
643.82764	1.0
675.18811	4.1
686.25909	1.6
687.26526	1.4
693.20087	1.9
733.32275	1.1
735.21216	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	734.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13788	0.3
51.31384	0.3
61.98835	100.0
70.02571	0.5
70.02964	0.9
88.98869	0.4
111.84611	0.3
112.88078	0.3
146.00546	0.3
162.83185	0.3
197.11957	0.7
209.11937	0.7
211.13443	0.5
369.94864	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	735.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11469	1.8
69.11891	1.7
93.52694	0.4
96.33236	0.4
98.21880	0.8
98.22514	1.0
117.03469	0.7
133.02982	0.9
145.02980	2.0
152.64313	0.4
157.03026	0.7
161.02480	0.8
163.03957	0.6
173.02454	1.5
177.01967	0.4
185.02480	2.0
187.00439	0.5
189.01950	1.7
191.03450	0.5
201.01947	3.0
202.99928	0.4
203.54028	0.4
215.00020	0.6
217.01447	1.8
226.99951	1.4
229.01434	4.1
230.01959	0.8
242.99350	0.7
245.00938	3.5
247.02467	1.6
254.99422	0.5
257.00934	1.6
270.98782	3.4
271.99222	0.5
273.00406	1.6
275.01965	0.7
283.99744	2.7
288.99728	0.5
291.01410	0.5
299.99203	2.7
300.99924	100.0
302.00253	9.2
433.08368	0.4
664.32318	0.5
735.04321	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	735.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37348	3.0
65.00340	3.8
69.97527	8.3
69.97913	6.8
75.51016	3.2
83.01422	3.8
107.01400	9.9
109.02979	8.9
125.02446	12.0
125.22886	3.4
137.02435	21.6
144.55466	3.8
151.00424	29.6
169.01395	8.0
173.06151	4.5
178.99918	18.9
201.05562	11.5
211.04063	4.1
227.03503	5.3
245.04466	3.5
262.84143	3.1
273.04019	8.4
285.03769	3.9
317.03027	100.0
318.03448	7.4
417.08194	6.2
418.08005	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	735.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.4
61.98843	2.6
67.39355	0.6
71.01398	1.6
85.02975	0.7
88.98856	0.8
89.02448	0.6
96.96051	1.0
101.02451	1.0
108.02203	0.8
113.02463	1.2
117.03481	0.7
121.03010	0.8
122.03736	0.9
125.02462	1.8
132.02185	23.0
133.02983	1.2
134.03760	14.2
135.04588	4.6
136.01689	1.0
136.04883	1.3
137.02455	1.6
147.04550	0.9
148.05328	12.6
149.02480	2.1
149.05725	4.1
150.03244	5.6
151.03886	1.3
160.01677	79.7
161.02051	6.3
165.01959	3.1
165.05573	4.3
166.02728	1.0
166.05933	1.9
169.01456	1.4
175.04021	100.0
175.28949	0.7
176.04478	5.3
178.02724	2.4
178.05101	8.4
179.03503	1.0
179.05492	2.1
180.04271	1.6
181.04959	0.8
190.05061	2.5
193.05095	13.3
195.06625	4.6
196.06992	1.5
225.07623	1.7
226.08022	1.0
231.06781	0.6
235.06190	0.6
247.06206	0.7
265.07159	1.8
275.27505	0.6
297.10159	3.0
298.10556	1.2
312.12433	22.6
313.12784	18.8
314.13040	1.9
319.08386	0.7
328.12485	0.7
337.09357	1.2
361.09012	0.6
481.13315	1.0
499.14883	3.3
500.15033	0.7
513.13934	1.3
517.15582	3.9
539.21155	1.0
541.15424	2.2
559.16663	6.3
560.17023	1.1
675.19135	4.7
676.19678	1.4
693.19818	2.6
735.21320	4.7
736.21313	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	735.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
59.12896	0.3
71.01379	1.6
72.99303	0.3
74.44299	0.3
83.01371	0.7
85.02995	0.6
86.93810	0.3
89.02475	0.9
94.33573	0.3
98.22563	1.0
100.20539	0.3
101.02467	0.9
103.21947	0.3
113.02465	1.0
117.03508	0.8
119.03554	0.4
119.18949	0.3
121.16471	0.3
125.02464	0.7
125.43714	0.3
127.11613	0.3
132.02188	22.8
133.02921	1.2
133.79024	0.3
134.03749	16.4
135.04623	1.7
137.02463	1.0
147.02454	0.4
147.04527	0.6
148.05322	4.0
149.06099	2.9
150.03209	0.9
160.01674	78.3
161.02248	5.1
165.01968	0.4
165.05571	0.8
175.04015	100.0
176.04366	5.8
178.02835	2.1
178.05099	2.0
179.03487	1.0
179.05457	0.9
180.04376	0.5
190.05112	0.8
191.05588	0.3
191.07240	0.5
193.05077	14.6
194.05449	1.0
195.06619	0.8
196.06938	0.3
207.02808	0.3
217.04959	0.4
221.08142	0.4
228.87651	0.4
228.89963	0.3
233.04498	0.4
235.06157	0.6
247.06125	1.0
265.07156	1.8
268.20038	0.4
297.10129	0.7
298.10556	0.4
312.12442	7.9
313.12738	5.8
319.08182	0.8
337.09421	1.3
481.13867	1.4
499.14688	4.2
500.14948	0.4
513.14374	1.5
514.13892	0.3
517.15796	3.9
518.15704	0.4
541.15820	2.0
559.16748	5.0
560.16919	0.7
663.23279	0.3
675.08752	0.5
675.19360	6.6
676.19519	1.5
693.10242	0.4
693.20319	4.2
694.20294	0.8
735.21466	6.7
736.21960	1.9
753.93134	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	735.378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
61.98838	100.0
65.01485	1.8
65.32407	1.6
65.85931	2.1
71.01376	6.0
79.30229	1.7
80.91668	3.1
83.01431	1.8
89.02460	5.4
90.92763	1.5
98.21706	2.9
98.22390	8.7
101.02468	4.9
102.76064	1.7
113.02451	1.9
119.03564	2.6
125.02474	2.7
169.01527	3.6
171.10275	12.0
177.70294	1.7
209.11801	3.7
211.13434	2.8
228.71809	1.8
235.08192	3.3
253.09154	1.8
277.21701	10.3
278.22137	1.9
291.19644	4.5
309.20715	8.1
329.21048	2.1
379.74182	1.8
397.13580	13.7
415.14340	2.7
545.29950	4.5
692.73267	2.3
699.39319	5.2
717.37732	2.6
735.39001	4.6
736.39178	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	735.381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	2.4
59.01130	2.9
59.01392	31.9
61.98843	13.7
70.82179	5.0
71.01038	2.6
71.01391	32.3
72.99317	3.7
73.02928	5.6
73.16025	2.4
83.04999	2.3
84.02085	2.2
85.02952	6.3
87.00887	8.2
89.02451	31.7
91.98174	2.0
92.53453	2.1
95.01398	3.2
97.02937	6.7
101.02459	23.2
113.02442	13.1
115.04004	2.1
119.03491	7.2
125.02436	12.1
143.03503	5.3
161.04677	4.2
163.13646	3.2
168.95186	2.2
169.01442	5.7
179.05605	5.0
195.48106	2.5
207.10350	3.4
209.11790	4.5
211.13362	5.2
219.89613	2.4
221.06712	3.1
225.11397	8.1
225.58055	2.6
235.08139	13.2
253.09282	5.6
277.21786	73.1
278.21988	8.8
291.19678	7.4
305.09024	4.1
397.13535	100.0
398.13742	9.3
409.07147	2.3
415.14563	28.3
557.28192	2.7
735.39276	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	735.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.4
61.98826	14.4
65.24268	3.2
68.77821	3.5
69.03471	3.8
71.01389	22.1
71.25757	3.5
73.02939	4.8
74.22494	3.0
85.02951	8.0
87.00887	6.4
89.02422	4.7
94.00995	2.9
95.01411	3.9
101.02446	12.4
102.05235	3.6
113.02485	10.1
114.20559	3.0
125.02474	8.7
125.09744	10.5
145.05052	6.7
161.04567	3.6
163.11340	4.0
165.12827	4.1
166.20959	3.1
179.75238	3.6
181.12311	3.8
185.11876	6.2
207.10254	13.8
225.11345	9.8
233.15446	3.1
235.08327	10.9
245.70888	3.0
253.09245	3.5
289.18057	3.8
291.19763	25.7
291.22766	4.2
293.21213	3.7
313.17944	5.0
329.21381	26.5
329.24847	6.6
331.19260	4.1
336.30707	3.1
373.23770	10.8
391.25021	11.0
391.38846	3.9
391.80521	3.3
481.29620	22.7
499.30670	60.2
500.31073	13.2
517.31726	28.6
518.31982	5.4
609.32544	11.4
627.33832	5.9
648.11072	4.0
666.32056	4.6
717.38055	13.1
735.39746	100.0
736.40253	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	736.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	2.8
61.98843	8.4
67.01886	1.3
69.17799	11.0
71.01385	3.6
77.31508	1.2
79.01907	1.8
86.33697	1.1
89.45835	1.3
95.01386	2.9
96.96033	5.5
101.02435	2.0
107.01414	6.3
108.02189	1.3
109.02956	2.0
111.00871	2.4
123.00884	15.4
123.04501	1.2
125.02461	22.3
126.02773	1.5
136.98817	1.9
139.00392	6.1
140.01224	3.8
141.01915	2.1
151.00426	9.3
151.04100	1.3
159.05806	1.3
167.03497	1.2
168.00668	10.8
169.01445	19.6
170.01790	1.5
183.03062	2.5
211.02518	3.5
271.04648	5.0
297.06174	1.9
311.09134	1.5
344.12677	2.3
345.13477	2.7
359.15237	5.2
364.43808	1.6
507.18637	4.3
673.21393	100.0
674.21735	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28884	0.5
57.99510	0.5
59.01392	2.4
59.80233	0.6
61.98835	8.6
71.01378	1.7
72.99303	0.6
74.54494	0.5
89.02447	0.8
91.08054	0.5
96.96027	1.2
98.21713	0.9
101.02449	0.7
107.01374	2.7
109.29073	0.5
111.00875	1.7
121.03017	0.6
123.00897	2.4
124.01671	1.2
125.02463	23.1
126.02822	1.1
127.00340	0.7
136.98807	1.0
137.20067	0.5
138.99342	0.6
139.00374	2.0
139.04068	0.7
140.01149	2.8
149.02449	0.6
151.00356	1.5
151.04024	0.9
157.52084	0.5
165.01944	1.4
167.03485	2.1
168.00659	12.9
168.64020	0.6
169.01445	31.4
170.01793	1.4
183.02985	0.9
211.02499	66.9
211.86656	0.5
212.02873	3.6
225.03990	0.7
241.03606	1.4
250.36166	0.5
255.10271	0.8
271.04611	100.0
272.04977	7.9
278.53088	0.5
283.09863	5.4
285.06122	2.0
294.09161	0.7
298.12051	0.7
300.02731	0.8
300.99997	0.6
311.09280	11.1
312.09714	1.9
325.10831	1.5
326.11624	6.5
327.11945	1.3
331.06732	31.9
332.07074	2.8
341.13950	1.5
395.56747	0.5
505.10220	0.7
589.60132	0.6
673.21429	46.2
674.21893	12.9
677.49481	2.4
689.55054	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	736.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.4
61.98844	10.3
65.38366	1.9
79.01898	3.7
95.01357	6.1
107.01398	3.1
111.00904	3.2
123.00898	29.4
125.02467	18.8
127.74745	2.2
136.98749	2.6
139.00381	10.8
139.03996	3.3
140.01170	3.9
141.01897	2.3
151.00397	2.5
166.99872	12.5
169.01451	15.8
183.02988	2.1
195.02974	1.9
326.11859	4.4
327.12372	8.4
478.12628	27.9
479.12924	6.0
493.15125	100.0
494.15604	18.3
520.94971	2.3
673.21417	74.8
674.21667	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	736.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.98836	100.0
68.49632	1.2
69.46054	8.1
71.01375	1.3
76.00079	1.0
80.05078	2.2
80.96523	1.8
98.22511	1.8
101.02434	1.3
104.05048	1.3
122.06139	13.3
134.06111	3.4
148.04123	1.2
152.07182	18.7
171.10289	1.6
201.01863	1.2
201.11299	1.8
209.11848	6.7
213.10408	5.1
215.12961	1.6
225.10278	2.0
239.11928	3.7
241.13428	1.5
245.12956	2.8
247.28999	1.0
251.12036	1.4
253.09584	2.2
263.08380	1.1
265.09879	1.2
273.00366	1.4
273.17017	3.7
275.01947	1.7
278.07101	2.0
279.07706	2.3
285.12527	7.4
293.09357	4.1
293.12866	2.3
294.09863	1.4
295.10898	4.0
301.00110	1.7
307.11011	2.1
323.10333	1.9
337.08429	3.1
339.09698	1.6
358.15695	1.5
390.03094	1.2
400.16641	4.1
412.16440	1.3
459.18408	1.6
460.18832	2.3
504.17731	4.9
518.19336	4.0
550.21814	4.1
551.22363	1.5
565.24438	12.6
566.24933	1.3
597.27441	2.3
609.23663	7.8
610.24036	1.7
641.26208	33.3
642.26392	8.9
673.28998	20.7
674.29309	4.8
692.25952	1.8
737.29553	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	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.97204	8.5
71.01362	0.7
71.81670	0.8
78.95900	1.5
88.76279	0.8
96.95999	0.9
97.46092	0.9
152.17252	0.8
204.76508	0.8
277.21671	2.0
507.12323	0.9
561.54919	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	736.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52902	0.7
61.98838	100.0
68.99586	1.6
71.34625	0.9
71.51392	0.5
77.76839	0.6
96.96048	0.6
112.98602	1.5
119.27963	0.6
125.02488	0.7
145.02995	1.0
225.40921	0.6
334.14645	0.6
544.52679	0.7
576.98425	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	736.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76857	0.3
59.01386	0.4
61.98835	100.0
62.98540	0.4
63.04482	0.2
66.19794	0.3
71.01375	0.5
71.25136	0.2
73.80642	0.2
75.20742	0.3
83.05062	0.3
89.02432	0.3
93.26370	0.3
98.21943	1.6
98.22630	0.4
101.02450	0.4
114.83434	0.3
150.72218	0.3
155.24937	0.3
165.12892	0.5
171.10358	0.6
184.36151	0.3
207.10265	0.3
209.11862	4.4
211.13455	1.3
225.11366	0.7
227.13008	0.8
228.90680	0.3
235.08289	0.3
249.33101	0.3
253.09419	0.7
289.18323	0.7
291.19666	3.9
291.22406	0.3
293.21472	0.3
307.19247	0.6
309.20831	0.7
501.32480	0.4
505.41003	0.3
519.33575	0.3
524.95557	0.3
568.18109	0.3
719.40533	0.3
736.38757	0.3
737.41766	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	736.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51299	0.6
61.98834	100.0
70.62857	1.2
70.63221	0.7
70.80420	0.6
78.95906	0.7
96.21633	0.6
105.58768	0.5
125.42216	0.6
134.87700	0.6
163.64139	0.6
168.46538	0.5
169.01546	0.6
209.11893	1.2
211.13454	0.6
291.19818	1.3
301.18692	0.6
327.90561	0.6
462.52075	0.5
734.00153	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	737.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95828	0.7
57.01751	0.6
60.91883	0.6
71.01389	1.5
72.99303	1.1
79.95719	3.2
80.96519	2.0
81.92563	0.6
85.02971	1.0
95.01398	1.0
95.86868	0.7
96.96024	92.2
98.22579	1.0
107.01398	0.8
108.02199	2.5
109.02977	6.0
113.02422	1.0
122.97614	7.7
125.02464	0.9
135.00894	2.1
150.97086	5.6
152.54436	0.8
153.01958	10.3
170.09721	0.6
210.99207	45.5
211.99461	2.0
213.84299	0.7
237.06329	0.7
260.93604	0.6
285.06216	1.6
286.81650	0.7
300.99979	0.7
347.00851	14.0
348.01251	1.5
348.76511	0.6
365.01855	100.0
366.02234	9.6
412.87250	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	737.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07119	0.4
63.02375	0.5
67.14755	0.5
71.01385	14.6
71.28045	0.6
83.01395	0.9
84.35478	0.6
85.02923	0.6
89.00331	2.2
91.01904	0.8
95.01426	0.7
106.00616	2.1
107.01401	1.3
108.02193	1.4
109.02992	2.5
111.00879	1.2
115.00385	7.6
121.02966	34.2
122.03316	1.7
123.00884	5.7
123.04498	0.5
125.02457	9.3
125.75447	0.6
126.02820	0.6
127.00397	1.0
136.98836	1.2
138.03226	1.7
139.00351	2.3
140.01111	0.6
151.00394	2.9
151.04062	1.1
153.01984	1.4
153.05586	24.8
154.05923	1.7
164.23988	0.5
166.99814	1.2
168.00610	0.8
169.01439	12.9
182.02220	4.4
197.04564	100.0
198.04921	5.5
303.05051	1.0
304.05453	1.0
313.05695	10.4
313.09274	1.1
314.06091	0.6
319.58127	0.5
423.09360	38.4
424.09705	5.0
546.11633	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	737.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.8
60.92473	1.0
68.30084	1.0
69.60928	6.0
86.45777	1.2
96.95995	1.3
98.22293	2.3
107.01401	2.3
109.02937	2.0
121.02946	2.4
125.02434	2.7
127.11299	4.2
139.11320	2.1
151.00395	7.6
155.10760	2.3
157.12367	15.6
163.00383	2.6
169.01375	3.0
178.99899	4.1
185.11864	16.8
203.12903	100.0
204.13220	7.4
227.03395	1.9
243.02985	2.5
245.13977	55.3
246.14322	4.7
247.02585	1.3
255.03072	12.2
256.03473	1.3
271.02499	24.1
272.02893	2.4
275.01831	1.9
283.02435	2.1
299.99261	2.2
300.02802	49.7
300.99936	6.3
301.03455	36.0
302.03864	3.4
447.09390	81.2
448.09695	12.9
501.02908	1.4
534.43121	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	737.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
59.01384	26.9
64.30165	0.7
65.00298	1.1
70.04742	1.9
70.05135	1.6
71.05030	3.8
83.01408	1.1
94.13155	0.8
107.01412	2.1
109.02994	1.3
121.02976	1.9
127.11305	1.1
135.00903	1.1
137.09799	0.8
151.00407	8.6
155.10815	1.6
157.12367	15.3
162.39726	0.8
163.00349	2.0
169.01419	0.9
178.99876	4.1
185.11844	12.8
187.04065	0.9
199.32182	0.8
203.12897	100.0
204.13245	5.3
211.03943	1.3
226.02666	0.8
227.03581	1.9
231.03160	1.1
243.02998	4.4
244.03497	0.8
245.04553	0.8
245.13957	54.9
246.14371	5.0
254.02260	1.1
255.03012	13.5
256.03226	1.4
271.02515	26.0
272.02948	2.8
273.04019	1.0
283.02258	0.9
300.02777	51.5
301.00217	1.8
301.03503	41.2
302.03793	3.7
391.02502	0.8
447.09357	80.7
448.09686	11.4
468.62625	0.8
580.03229	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	737.353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66657	1.4
61.98836	100.0
69.68508	6.4
71.01382	3.3
79.95768	1.5
80.96525	6.3
89.05307	1.7
164.98643	1.7
190.70918	1.6
193.93163	1.7
197.11847	8.3
209.11868	20.0
210.12177	2.7
211.13419	4.5
223.13382	8.7
227.12946	2.6
235.08282	1.8
253.09445	2.3
291.19672	3.0
309.20792	3.8
321.85803	1.6
380.40933	1.6
457.55093	1.7
628.62628	1.7
737.34406	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	737.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.4
61.84634	1.0
61.98838	90.0
71.01392	1.7
80.96501	2.0
81.03446	1.5
83.05045	3.0
84.02186	1.4
98.22610	2.5
101.02463	1.5
129.18216	1.1
158.32443	1.1
163.11328	2.1
165.12904	2.0
169.12411	3.6
171.10307	1.9
191.10783	1.6
192.61571	1.2
201.11401	1.9
209.11850	100.0
210.12251	6.7
227.12965	11.7
228.13544	1.3
229.30247	1.5
235.08218	3.0
248.03300	1.1
253.09303	4.1
273.17105	2.7
275.01913	1.6
300.99741	1.3
333.81760	1.2
345.34564	1.2
370.27606	1.3
393.10312	1.2
445.20728	3.4
578.29614	1.3
737.30554	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	737.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	12.3
63.09842	7.5
63.22795	7.0
66.75073	8.0
69.10397	71.8
71.38737	8.1
81.63676	9.1
103.90069	8.3
138.22523	7.9
158.17358	8.1
173.61656	7.9
178.58200	8.2
194.87137	7.9
197.11812	42.5
277.21756	55.7
737.41187	100.0
738.41180	35.5
752.21112	8.7
769.96332	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	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09940	77.1
75.88411	9.7
133.28311	11.1
154.03160	11.1
154.51439	11.0
197.11865	83.9
228.56622	10.6
239.50877	9.8
277.21707	41.6
319.95004	10.7
433.59808	11.4
620.04517	11.1
737.40997	100.0
738.41602	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.61686	0.5
59.01387	5.1
61.27346	0.8
61.98824	0.8
69.62318	2.9
71.01392	4.2
71.05035	0.7
72.99300	0.6
73.02967	0.7
80.02696	1.1
80.15789	0.5
81.03448	1.3
83.01397	0.7
83.05025	4.7
85.02962	1.4
87.00876	0.5
89.02460	3.5
95.05048	1.3
97.02969	0.5
97.06602	0.5
101.02457	3.8
109.06610	1.2
111.08177	7.4
113.02454	2.1
113.09723	0.5
119.03527	0.5
123.08199	0.7
125.06126	0.7
125.09707	0.6
125.73507	0.5
137.09753	0.8
149.09709	0.5
161.04584	1.2
163.11287	3.8
165.12920	2.8
167.10770	1.6
171.10251	1.0
177.12834	1.5
179.10814	1.5
181.12349	0.9
191.10849	0.7
195.13925	5.2
196.14246	0.5
207.10310	3.1
209.11845	89.2
210.12189	7.0
211.13387	2.3
225.11392	1.5
227.12921	14.1
228.13304	1.0
235.08240	3.6
247.20676	2.0
253.09303	11.9
254.09628	0.5
273.18591	1.9
289.18085	0.7
291.19681	100.0
292.20035	11.3
293.21301	3.8
294.22040	0.6
329.21350	0.6
445.20374	1.1
461.20633	0.7
501.32004	1.0
504.76929	0.6
509.27441	0.7
527.28748	5.4
528.28851	0.9
719.39417	1.0
737.40698	2.1
738.40991	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	737.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.1
81.03458	6.5
83.05032	15.7
84.05338	0.4
92.31508	0.4
92.70212	0.3
98.22578	0.6
125.07191	1.5
129.08299	0.3
143.08206	0.6
145.21027	0.4
169.50188	0.4
207.14989	1.8
224.17783	2.2
225.16089	14.8
226.16478	1.3
228.70963	0.5
242.18777	0.6
309.21814	0.5
324.26740	0.6
333.22952	0.8
341.29254	0.9
367.27084	1.4
433.31668	1.3
450.34567	1.3
451.32947	7.7
452.33179	1.2
468.35760	0.4
550.43488	0.7
559.39386	0.6
593.44232	0.6
635.81372	0.4
659.48755	1.7
660.48969	0.5
677.49707	100.0
678.50006	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.8
58.02983	0.9
69.03457	1.3
70.44299	1.5
81.03481	0.7
91.05510	0.5
93.03480	0.9
95.01411	0.7
97.02963	1.0
107.01400	0.9
109.02955	0.7
121.02978	1.7
123.00896	1.6
124.01679	0.7
125.02457	93.3
126.02801	4.3
137.02502	3.1
139.04092	0.8
142.80496	0.4
143.31447	0.4
147.04486	2.7
149.02437	2.5
151.93620	0.5
160.01775	0.5
163.00490	0.6
164.01155	1.1
164.07169	6.2
165.01936	5.4
166.02718	1.1
166.99927	0.8
167.03528	5.6
169.01439	100.0
170.01782	3.9
175.03960	3.7
176.72778	0.5
177.01944	30.5
178.02313	2.0
197.04552	1.6
199.04013	1.8
206.08211	7.8
207.08636	0.7
213.05632	0.7
217.05112	1.5
229.01328	0.5
229.05305	0.6
236.08464	0.5
241.05127	2.2
243.03070	1.0
275.01971	0.6
277.03470	0.5
285.04150	4.8
300.99979	0.5
303.05133	20.4
304.05466	1.8
317.06711	2.1
319.04620	5.6
329.03067	2.4
335.07770	7.3
336.07990	0.7
339.56549	0.5
455.06244	2.4
487.08893	18.8
488.09180	2.9
573.52191	0.5
662.52332	0.6
734.32019	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	738.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15199	0.1
61.98835	100.0
62.98558	0.2
65.86203	0.1
67.72740	0.1
71.01376	0.1
72.38662	0.1
78.95951	0.2
89.02432	0.1
90.73937	0.1
98.21732	0.2
121.72257	0.1
123.25505	0.1
161.79955	0.1
209.11835	1.6
211.13525	0.3
227.12975	0.2
253.09329	0.2
279.22986	0.2
293.21268	0.7
399.14261	0.1
701.25110	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	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.1
61.98837	100.0
62.98534	0.2
66.46271	0.1
71.01388	0.1
75.67173	0.1
89.02435	0.1
116.03756	0.1
118.96267	0.1
133.38623	0.1
144.98380	0.1
169.01588	0.1
171.67006	0.1
277.21817	0.1
291.19751	0.1
400.14072	0.1
562.76044	0.1
725.60126	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	738.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73975	0.6
61.98835	100.0
68.63879	0.5
70.03302	0.5
98.21704	1.2
111.72860	0.7
120.33823	0.6
158.84975	0.6
209.93758	0.6
218.38741	0.6
228.90930	0.7
232.30850	0.6
328.38153	0.7
371.36328	0.6
527.39099	0.6
544.73486	0.7
739.43823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71729	3.3
60.72045	3.2
60.99297	2.9
65.86058	3.5
79.82758	3.0
83.77238	3.0
85.02931	3.9
88.66293	2.9
88.98806	8.9
92.02707	2.9
95.01393	12.9
98.22614	7.1
103.06555	3.2
119.04989	4.8
123.00912	27.6
125.02472	19.3
129.03439	3.0
131.05061	2.9
137.02486	5.2
139.00414	3.5
145.02963	9.2
147.04494	6.3
157.02933	7.8
161.02405	4.2
163.03995	7.1
165.01930	3.9
166.99875	12.1
169.01410	14.4
173.02443	9.2
175.03983	11.9
177.01979	4.8
185.02507	4.7
189.01897	6.7
189.44724	3.9
190.99863	3.5
191.03505	23.2
200.10590	3.8
201.01909	15.5
201.06889	3.8
203.03471	9.9
209.01022	4.8
215.97136	3.2
217.01407	10.4
219.02986	10.4
226.99916	4.7
229.01453	19.4
229.28334	3.2
231.03018	10.3
245.00908	13.9
246.01155	4.0
247.02480	41.9
248.02809	3.7
256.02606	3.6
263.01819	5.3
273.00446	18.7
275.02005	10.3
291.01511	7.9
298.98444	9.1
299.99161	3.7
301.00037	23.0
335.00507	7.8
464.70856	3.4
587.06866	4.6
603.06677	6.9
605.07715	5.9
608.02368	3.3
613.04712	100.0
614.05011	19.5
630.33386	3.3
631.05884	51.3
632.06152	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	739.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79826	2.1
60.99306	2.7
62.07989	2.4
63.70690	2.1
64.82366	2.1
69.03458	2.7
71.27480	3.5
79.01872	2.6
86.91923	2.5
88.98804	12.3
95.01395	15.0
107.01423	3.5
117.03496	3.2
119.05038	2.6
123.00909	35.0
125.02460	27.2
135.04488	2.4
137.02469	3.4
145.02972	8.8
145.04008	2.2
147.04509	6.7
151.03999	3.2
157.02972	8.7
161.02464	8.1
163.00420	5.0
163.04045	8.1
166.99884	11.2
169.01486	13.6
173.02444	13.7
175.04015	10.4
177.01949	4.0
189.01945	5.6
190.02779	2.9
191.03510	15.7
199.00481	3.9
201.02010	16.6
203.03569	11.6
209.01003	4.3
217.01456	9.9
219.02985	7.8
226.99854	4.3
229.01405	16.9
231.02997	10.3
235.02502	3.5
245.00902	10.9
247.02480	34.6
254.99257	2.7
263.01901	7.9
270.99060	4.9
273.00452	20.7
274.00854	4.2
275.01968	7.3
291.01462	9.3
298.98395	9.1
299.99005	3.8
301.00006	16.8
335.00446	5.5
340.99216	2.9
526.62567	2.9
603.06287	6.7
613.04742	100.0
614.04852	16.4
631.05884	51.5
632.06207	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	739.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33516	2.2
60.99312	3.4
67.01900	2.3
83.97998	2.2
86.28000	2.6
86.69935	2.2
88.97828	3.0
88.98819	10.6
90.34426	2.4
95.01411	9.8
96.86245	2.1
96.96013	2.7
107.01416	3.9
107.04722	2.2
108.85730	2.2
109.02937	2.7
111.25726	2.3
118.80188	2.7
123.00904	40.5
125.02459	21.0
133.02957	2.9
139.00366	5.2
145.02959	4.2
147.04482	5.7
151.04001	4.6
153.01825	2.9
157.02980	5.4
161.02519	5.7
163.00394	3.5
163.03996	3.4
165.01945	3.3
166.99832	14.3
169.01408	17.2
173.02463	10.6
175.04039	8.1
177.01944	5.5
185.02464	3.7
189.01994	5.2
191.03477	16.5
201.01956	18.3
203.03496	8.4
209.00941	3.4
217.01434	6.0
219.03004	8.9
226.99843	3.6
229.01472	14.6
231.03030	6.5
235.02441	4.0
245.00938	7.0
247.02505	31.8
261.00351	3.3
263.02039	3.8
270.33954	3.0
270.98782	5.5
273.00482	17.3
275.02087	6.8
285.27982	2.5
291.01398	6.3
298.98328	8.2
300.99927	14.9
303.05173	3.0
323.63425	2.5
335.00327	3.9
349.65747	2.6
378.10477	2.5
417.74490	2.6
557.99591	2.7
587.06769	4.5
603.06323	6.6
613.04742	100.0
614.05029	16.5
631.05945	47.1
632.06061	7.3
641.02625	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	739.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
63.40340	1.1
71.01386	1.4
77.03786	1.0
78.20642	1.0
80.01543	0.9
80.96524	1.3
82.08199	1.0
82.95433	2.8
91.03876	1.0
109.44651	1.0
112.98998	1.0
125.02470	1.9
139.46967	0.9
169.01468	2.2
169.97722	1.2
171.10310	1.6
176.41200	1.1
207.10304	3.4
209.11835	9.2
211.13451	1.4
223.13474	4.1
225.11296	2.0
227.12872	2.0
234.36363	1.1
244.31975	1.2
253.09366	1.5
306.74878	1.3
598.11310	1.3
635.31042	1.7
653.31732	1.5
671.32819	3.0
719.13965	1.3
739.32062	3.6
758.46869	1.2
760.87030	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	739.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74174	3.6
59.01386	41.8
64.08514	4.0
64.85628	3.6
71.01392	38.7
73.02970	4.1
75.61353	4.0
83.01424	4.8
84.64757	3.6
85.02966	7.3
85.18150	4.1
87.00893	10.5
89.02458	30.1
97.03000	5.5
98.21824	11.4
101.02467	29.9
113.02449	11.8
119.03532	8.0
125.02463	10.0
133.84709	3.8
161.04597	5.7
171.10292	15.5
193.08588	3.4
224.09712	4.2
225.11444	4.9
235.08267	13.2
253.09430	6.0
253.86896	3.9
277.21796	17.0
281.24872	99.2
282.25266	10.8
305.08804	4.7
397.13553	100.0
397.18863	5.3
398.13950	13.1
415.14627	34.1
501.50012	4.3
745.73877	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	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03201	0.2
55.01872	0.3
57.03445	0.4
58.00619	0.4
58.19912	0.2
59.01386	4.3
63.30143	0.3
69.03452	0.9
69.67494	1.4
71.01391	4.2
73.02949	0.9
73.27837	0.2
83.01373	0.5
83.05054	0.6
85.02943	1.0
87.00887	0.8
89.02450	2.7
91.47849	0.2
95.01394	0.4
97.02950	0.5
97.06615	0.8
98.22533	0.3
99.00865	0.3
101.02444	3.2
109.06577	0.3
110.42278	0.3
111.08176	1.1
113.02460	1.8
113.09735	0.7
115.07665	0.6
119.03529	0.7
125.06092	0.4
136.41116	0.2
141.09239	0.8
143.03490	0.5
145.05133	0.4
161.04584	1.4
163.11423	0.3
165.12869	1.7
167.10747	0.9
167.14424	1.9
169.12328	0.5
175.11101	0.3
179.05646	1.0
181.12396	1.5
183.13925	7.9
193.12343	2.5
193.15944	0.3
194.12730	0.3
195.13824	1.5
197.11839	4.8
209.11765	1.3
211.13412	100.0
212.13759	7.7
213.14937	0.4
221.15474	1.8
227.12964	0.4
229.14571	0.4
235.08257	3.1
240.13736	0.4
241.14340	0.5
247.20738	2.1
253.06615	0.5
253.09315	9.2
254.09697	0.6
255.16101	0.7
263.20224	0.7
265.18103	0.7
273.18756	1.4
281.21307	0.7
291.19687	22.4
292.20053	3.0
293.21228	0.8
309.20743	60.4
310.21097	6.9
311.22144	0.3
346.27884	0.3
447.22403	3.8
448.22714	0.5
485.32535	0.6
527.28784	2.3
545.29742	8.4
546.29755	1.6
597.32715	0.5
670.35449	0.4
721.41760	0.6
722.41852	0.4
739.42712	3.3
740.42432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
58.71430	0.4
59.01387	4.5
63.30132	0.4
69.57129	1.9
71.01387	3.5
73.02958	0.6
83.01400	0.6
83.05022	0.5
84.53686	0.3
85.02966	0.9
87.00899	0.8
89.02454	2.6
94.94724	0.4
95.01357	0.4
97.06589	0.7
101.02456	3.4
111.08144	0.5
113.02471	2.0
113.09749	1.3
115.07658	0.4
119.03496	0.7
123.00839	0.4
128.11502	0.3
141.09273	0.4
143.61600	0.3
145.05150	0.5
161.04561	1.4
165.12871	1.4
167.10873	0.6
167.14432	1.7
175.11234	0.4
179.05708	0.5
181.12315	2.0
183.12404	0.5
183.13928	6.0
184.14360	0.4
193.12384	2.0
195.13922	1.2
197.11896	0.4
209.11823	1.0
211.13419	100.0
212.13744	7.7
221.15573	1.8
235.08258	4.4
236.08450	0.4
239.12691	0.4
240.13550	0.4
247.20676	2.1
253.09325	9.3
254.09590	0.6
255.15881	0.8
265.18188	0.7
273.18716	1.8
281.21201	0.7
291.19693	22.4
292.19989	2.8
293.21106	0.7
309.20743	66.7
310.21069	9.8
311.22235	0.4
335.73859	0.4
447.22516	3.9
448.22717	0.6
467.31540	0.5
485.32642	0.7
503.34125	0.5
527.28711	2.8
528.28723	0.5
531.85156	0.4
545.29773	11.2
545.67517	0.4
546.29584	1.9
670.35480	0.7
721.41681	1.0
722.42297	0.6
739.42957	4.0
740.43158	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	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01139	0.4
59.01385	4.1
59.82946	0.3
69.03458	0.9
71.01389	4.9
73.02944	1.0
73.04048	0.4
83.01389	0.9
83.05019	0.4
84.02958	0.4
85.02954	1.1
87.00874	1.4
89.02455	3.2
95.01345	0.5
97.02997	0.4
97.06592	1.3
99.00909	0.4
101.02449	4.2
104.35252	0.4
106.68395	0.4
111.08171	0.9
113.02442	2.1
113.09775	1.2
115.07652	0.6
119.03518	0.9
123.00878	0.4
125.67008	0.4
135.73558	0.5
138.98047	0.3
139.11241	0.4
141.09219	0.8
151.11340	0.5
161.04538	1.3
165.12891	2.8
167.10826	0.6
167.14374	1.8
179.05678	1.1
181.12344	2.0
183.13907	7.4
184.14226	0.4
193.12363	3.5
195.13882	1.6
197.11807	2.5
209.11855	2.0
211.13408	100.0
212.13750	7.8
220.10901	0.4
221.15442	1.8
223.05881	0.3
226.90076	0.4
228.88754	0.4
229.14389	0.4
235.08247	4.7
236.08563	0.5
247.20695	1.9
248.20998	0.4
253.09315	10.4
254.09549	0.7
255.16019	0.7
263.20215	1.2
265.18042	0.6
265.21658	0.5
273.18600	2.0
281.21280	0.9
291.19684	26.5
292.20023	3.1
293.21167	1.3
309.20740	73.2
310.21094	8.7
311.22183	0.4
338.97681	0.4
447.22388	4.3
448.22827	0.6
485.32706	0.7
503.34027	0.5
527.28412	2.8
528.28625	0.5
545.29688	10.7
546.30212	2.5
646.87488	0.4
721.42206	0.9
739.42773	3.8
740.42316	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	740.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21826	0.2
55.32156	0.2
61.98836	100.0
62.74220	0.2
70.38302	0.4
70.57932	0.2
129.52385	0.2
130.34642	0.3
169.01373	0.2
211.13527	0.4
278.33630	0.2
340.41818	0.2
370.34393	0.3
488.04535	0.3
505.99097	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	740.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85457	0.1
59.01391	0.3
59.10854	0.1
61.98837	100.0
63.67813	0.1
83.05034	0.2
94.39733	0.1
98.22324	1.2
155.36862	0.1
229.69522	0.1
388.14392	0.1
392.20636	0.1
489.81241	0.2
602.16180	0.2
678.50494	0.2
679.50836	0.3
680.50769	1.8
740.49536	1.0
741.50244	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	741.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	57.4
64.77134	7.8
95.01397	11.7
107.01392	9.9
109.03006	11.5
123.00866	8.9
125.02485	61.0
140.31880	9.2
145.03008	11.9
159.04466	8.1
161.02458	17.4
169.01439	59.7
189.01888	10.5
211.03989	11.4
214.02736	10.8
215.00072	8.2
217.01411	29.9
227.03456	11.3
229.01488	21.7
245.00862	46.0
255.03044	17.4
270.98883	18.9
271.02148	11.6
273.00476	100.0
285.04172	10.0
297.00464	18.9
298.98273	28.5
299.01788	20.4
299.99091	17.8
309.00226	11.0
311.01862	9.0
321.03870	10.4
323.02002	15.8
323.05750	11.9
324.99966	61.7
335.01959	20.4
339.05194	13.8
347.01901	11.1
347.57666	10.1
348.02667	10.8
349.03543	16.6
351.01508	11.5
357.06281	12.1
365.03058	24.3
367.00790	14.8
377.02841	13.8
380.01709	12.7
391.00897	14.0
393.02539	17.8
501.08328	12.1
510.07739	9.1
511.06781	33.7
527.06360	39.8
545.07202	89.5
546.07483	21.9
549.82135	9.9
553.04340	9.0
555.05511	39.2
556.06110	10.0
571.05017	46.0
589.07062	28.7
697.08459	83.6
698.08472	16.4
723.06250	23.6
741.07916	41.4
742.06726	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	741.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00833	0.2
61.98829	0.6
73.02950	0.5
75.29154	0.2
91.55822	0.2
99.00894	0.7
99.92597	11.6
100.92609	0.6
106.59673	0.2
114.93429	0.6
116.92870	100.0
117.01955	1.2
117.92879	6.6
118.89973	0.4
135.31216	0.2
136.70470	0.2
145.02959	0.6
146.03300	0.2
190.36456	0.2
209.11870	0.4
272.27426	0.2
369.65057	0.2
595.12653	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	741.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04608	0.3
59.01375	1.0
60.76188	0.3
69.90047	0.7
69.90463	1.0
71.01386	9.7
72.99310	2.0
74.78042	0.3
78.95885	0.3
87.00883	0.4
89.02451	2.1
99.04652	0.3
101.02489	0.4
115.00385	32.2
116.00697	0.9
125.02482	2.1
131.03671	0.3
133.01442	100.0
134.01817	2.4
169.01448	6.2
170.01738	0.4
213.86270	0.3
275.02097	0.5
280.14316	0.3
285.02545	8.8
285.05634	0.6
286.02832	1.0
300.99930	0.5
400.65668	0.4
400.71915	0.3
401.75665	0.3
455.17703	3.3
475.32275	0.4
633.07269	0.8
634.08466	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	741.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	8.1
61.35421	6.5
61.98840	58.0
72.62561	5.9
74.05489	5.7
79.81367	7.0
92.83190	7.3
96.96003	16.0
98.22547	10.8
101.02452	6.9
113.63639	7.1
119.32236	6.7
133.21091	7.0
163.11342	7.4
169.01454	9.3
189.40520	7.5
199.13406	12.3
208.02081	6.5
209.11853	100.0
210.12227	7.6
225.11324	12.4
227.12917	80.8
253.09384	12.2
319.08911	6.6
435.27362	7.5
463.21738	19.6
499.15027	7.5
637.31976	24.0
655.33551	35.9
673.34454	13.8
741.33197	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	741.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63041	1.9
61.28722	1.5
61.98835	4.3
65.98222	1.8
66.66593	1.9
70.31387	5.2
70.95219	1.8
71.01381	2.1
80.52558	2.2
115.40456	1.7
116.92887	2.7
119.44713	1.7
159.13095	1.9
170.40167	2.2
209.11847	100.0
210.12183	6.8
227.12929	28.9
235.08385	3.0
253.09331	7.7
445.20779	8.2
446.21786	2.5
463.21982	3.0
506.99176	2.0
541.23175	1.9
542.64453	2.0
701.61310	2.2
741.34686	17.1
742.35034	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	741.35
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56840	7.9
59.01373	12.5
61.98848	68.2
65.47380	9.3
70.15081	30.1
71.64201	7.7
82.95435	16.2
85.00451	20.2
96.96015	22.2
98.21864	9.9
116.92889	67.4
152.69830	9.1
197.11906	10.8
199.13356	12.2
206.97278	9.1
209.11848	100.0
211.13322	19.5
227.12910	47.5
238.38182	7.6
253.09270	12.6
646.40887	10.3
655.33563	14.1
741.33765	30.5
742.32806	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	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.1
61.98837	40.0
63.99234	4.5
70.69794	5.7
71.01370	12.4
87.00864	2.8
89.02471	6.5
89.94503	2.4
96.51550	2.4
96.96042	3.6
97.06632	5.6
98.22144	3.0
101.02464	4.9
107.05675	2.4
113.02460	5.9
124.52448	2.3
135.00931	2.4
150.85419	2.6
151.11299	11.4
165.12932	3.2
169.12350	86.2
170.12665	5.5
171.10304	6.9
185.11821	14.8
195.10376	3.5
195.14021	3.1
197.11870	4.7
209.11813	5.6
210.12192	3.9
211.13460	15.7
212.13782	5.6
213.11337	19.1
227.12814	3.3
235.08443	3.2
249.86922	2.6
253.09325	6.0
291.19687	16.9
293.21161	6.0
294.21561	3.1
295.22586	5.0
309.20706	27.0
310.21069	6.5
424.92828	2.5
449.20383	10.6
541.40106	2.5
545.29718	3.7
573.22437	2.7
699.66711	2.6
741.40735	100.0
742.40900	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.4
61.98834	4.9
70.44757	2.4
70.45114	3.7
71.01034	1.4
71.01366	8.5
73.02944	1.6
82.95437	2.8
83.05038	3.4
85.00465	1.5
85.02952	2.7
89.02451	3.8
95.01361	1.3
98.22056	2.1
101.02455	5.7
110.90649	1.4
113.02459	4.2
125.09753	4.2
127.07646	2.3
151.11282	2.4
153.09212	12.0
153.12808	1.9
155.10849	1.7
161.04620	2.3
163.11287	3.8
165.12834	2.6
167.10846	1.9
169.01389	1.8
169.12396	6.9
171.10278	20.1
172.10612	1.8
178.10025	2.5
181.12346	1.9
185.11865	15.4
186.09990	1.4
191.10806	1.7
191.14557	1.6
195.10329	9.9
197.11845	100.0
198.12187	5.6
209.11847	30.0
210.12234	2.6
211.13419	9.4
213.11307	9.3
219.14059	1.4
221.20926	1.6
225.11337	4.6
235.08235	5.1
253.09265	12.6
284.92963	1.3
289.18201	7.0
291.19577	7.4
307.19159	41.4
308.19568	5.2
309.20743	14.4
310.21091	2.2
325.20193	16.6
326.20639	3.4
332.93222	1.5
433.20792	2.7
449.20135	2.1
525.26996	2.8
543.28094	12.1
544.28473	2.4
545.29370	1.9
561.29193	3.1
642.17145	1.4
649.72266	1.5
654.32385	2.2
655.32404	2.3
670.29425	1.8
723.39728	8.5
741.40771	15.7
742.40845	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	741.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
61.98827	3.5
62.55834	1.1
68.97637	11.6
71.01383	4.8
73.02938	1.6
83.05016	3.0
84.02213	1.5
87.00860	1.6
89.02476	2.4
101.02454	3.8
113.02448	2.5
119.03475	1.2
125.09766	2.0
126.81004	1.5
132.06927	1.2
143.28540	1.1
163.11266	2.4
165.12877	2.9
171.10249	2.4
190.46667	1.2
193.03987	1.2
201.09515	2.6
201.11353	37.4
202.11667	2.2
209.11848	81.6
210.12201	7.8
211.13414	1.1
227.12872	8.7
235.08243	7.0
236.08589	1.6
253.09297	14.8
254.09570	1.3
259.20801	1.4
273.56131	1.3
277.21762	100.0
278.22083	15.1
279.22543	1.6
326.63971	1.2
468.06918	1.2
567.06812	1.3
602.03064	1.5
617.21338	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	741.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95706	3.9
61.03680	3.2
69.31404	20.9
74.78980	3.5
77.97405	4.1
78.64964	3.3
78.95913	59.2
96.96970	5.6
98.22578	7.3
124.70419	3.5
152.99586	54.9
163.67311	3.9
171.00768	5.9
227.03217	4.5
253.21829	24.8
277.21777	94.9
278.22089	10.2
312.60498	3.7
504.99094	3.8
505.25751	100.0
506.26013	12.2
597.84656	3.7
627.89105	5.0
699.66547	3.9
741.47101	19.6
742.47693	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	742.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79322	0.3
61.98837	100.0
63.12846	0.3
75.82581	0.3
88.98853	0.5
98.21223	0.3
124.26420	0.4
144.70657	0.4
209.03529	0.3
209.11745	0.5
224.47830	0.3
414.83862	0.4
426.71899	0.4
469.84125	0.4
562.14148	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	743.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48427	0.2
58.00842	0.2
58.02435	0.3
65.30698	0.3
69.19703	1.9
83.04740	0.2
93.74657	0.3
100.97361	0.3
117.03486	0.4
118.79557	0.3
125.02454	1.4
129.03439	0.4
133.03014	0.3
134.91876	0.2
145.02977	1.1
147.04483	0.3
157.02962	0.6
161.02600	0.3
163.03970	0.4
165.20802	0.2
168.57893	0.2
169.01485	1.5
173.02460	1.1
185.02466	2.1
186.02747	0.5
189.01999	0.4
199.76869	0.3
200.01221	0.3
201.01929	2.4
217.01405	0.4
226.99944	0.5
228.00606	0.4
229.01427	3.4
244.00125	0.3
245.00961	1.5
254.99588	0.3
257.01013	1.6
273.00385	0.4
279.78641	0.3
283.99652	2.8
285.00009	0.4
286.27014	0.3
289.07217	0.5
299.99078	2.4
300.99921	100.0
302.00256	9.2
332.04108	0.4
352.98483	0.3
441.08487	0.3
564.21368	0.3
689.80658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	15.3
69.03444	3.4
70.32513	3.0
71.27137	4.9
83.01417	3.4
95.01376	3.2
97.03020	4.8
100.48153	2.9
101.12660	2.8
107.01416	5.4
109.02969	19.3
121.02982	6.5
123.00907	4.6
123.04565	11.1
125.01539	4.8
125.02460	100.0
126.02837	3.9
133.02968	9.6
135.04552	6.4
137.02458	31.8
145.02948	10.3
147.04523	3.4
148.18155	3.1
149.02466	11.7
151.04066	13.7
158.03812	3.5
159.04533	10.1
161.02469	14.7
161.06052	6.3
163.00400	13.2
163.04074	7.1
164.01227	14.0
165.01933	23.7
167.03522	12.1
169.01437	27.0
171.04492	4.1
173.06062	6.0
174.03265	3.5
175.04031	21.8
177.01952	52.9
177.03474	3.0
178.56419	3.3
179.03511	5.8
181.36203	2.9
183.04535	7.4
185.02577	3.5
187.04060	20.4
188.04723	9.8
189.01994	10.5
189.05588	12.1
190.02655	4.4
191.03557	8.1
199.04041	12.2
200.04832	3.7
201.01949	11.3
201.05594	18.6
203.07170	9.4
205.01462	5.1
205.04987	3.9
211.04074	12.2
213.05585	2.9
215.03511	7.6
217.05136	11.9
219.02991	17.6
227.03502	26.9
228.04263	6.2
229.01427	33.7
229.04951	17.5
230.02014	4.0
230.05540	2.9
231.02997	8.8
235.04128	3.7
239.03549	6.5
241.05183	7.6
243.02975	18.0
245.04575	6.9
245.08316	4.4
247.02536	4.1
253.05052	8.0
255.02980	16.1
256.03781	4.7
257.04681	15.6
261.03961	3.8
264.03836	3.3
269.04575	7.1
271.02838	2.8
271.06030	13.6
273.04111	10.2
279.06598	4.7
280.03925	3.8
281.04608	9.8
283.02545	11.2
283.05978	3.9
285.04150	5.7
289.07242	25.8
292.24048	3.2
293.04568	4.4
297.04031	4.5
301.03677	10.3
303.05225	8.1
311.05597	8.5
321.07852	7.2
327.05206	5.3
329.07129	3.5
336.39236	3.2
337.07269	4.5
347.05701	6.9
351.81241	3.0
355.04678	7.1
365.06702	10.1
383.07718	9.9
389.06726	6.6
391.04498	4.5
407.07779	60.3
408.08047	9.2
409.05777	20.8
427.06638	30.3
428.07028	3.9
461.09000	4.4
543.29547	3.2
545.10724	3.8
549.10242	4.4
555.55206	3.4
573.10315	18.0
574.11206	5.2
681.11957	5.1
699.13214	28.3
700.13757	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	743.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.9
62.14187	2.1
67.01879	3.7
69.03432	2.2
69.41871	13.1
79.01905	2.5
79.46633	1.8
81.03461	3.1
83.01393	4.9
91.76865	2.1
93.03451	3.8
94.70025	2.3
95.01392	15.8
97.02957	4.8
98.21848	4.0
105.03497	3.0
107.01427	2.8
108.02168	3.6
109.02959	21.7
119.01411	4.6
121.02983	13.3
123.00893	31.6
123.04552	11.6
125.02465	100.0
126.02797	4.2
131.05070	2.6
133.02985	6.4
135.00882	4.5
135.04544	7.2
136.26605	1.8
137.02464	32.3
139.00383	1.9
139.04016	3.2
140.86055	2.3
141.23096	2.0
145.02975	9.8
146.03712	2.7
147.00893	25.7
147.04510	2.2
149.02477	27.4
150.03217	3.9
151.00410	3.7
151.04021	20.2
159.04527	9.7
161.02509	17.2
161.06085	6.3
162.03065	2.1
163.00389	30.8
163.04016	7.0
164.01187	10.3
165.01949	23.4
166.99849	13.8
167.03511	4.7
169.01433	29.8
173.06152	2.7
175.00391	60.3
175.03970	18.6
176.01050	8.6
177.01942	75.6
178.02388	3.8
183.04486	3.4
185.02478	3.0
185.06117	2.8
187.04082	14.6
188.04701	2.1
189.02063	6.3
190.02948	2.6
191.03510	17.1
193.01424	2.3
195.06653	3.7
199.03973	5.2
201.01912	3.9
201.05550	5.4
203.03462	3.8
203.07130	5.6
205.01466	4.1
205.05052	7.9
211.04036	7.5
212.04800	2.9
213.05585	5.2
214.02827	2.6
215.03520	12.5
216.04097	3.3
217.01495	2.9
217.05133	7.6
219.02939	5.3
225.05658	3.1
227.03482	12.0
228.04222	4.5
229.01505	3.2
229.05171	10.4
231.02968	4.7
233.04605	4.8
239.03537	5.0
241.05130	4.3
243.02904	16.4
245.08192	4.5
249.06290	2.8
253.05045	4.6
255.03046	20.5
255.05539	2.8
255.06436	1.9
256.03705	9.1
257.04529	15.0
259.02435	3.9
261.04047	3.7
269.04565	5.6
271.02750	4.0
271.06271	10.6
272.03253	3.0
273.04059	11.3
275.01926	4.4
281.04584	6.0
282.05518	2.7
283.02524	9.6
283.05554	2.4
284.03137	3.6
285.04129	7.1
287.02136	3.2
287.05676	5.1
289.07187	21.7
295.02698	2.4
297.04074	2.8
299.02084	4.1
300.02725	3.6
301.03543	47.1
303.05106	7.5
309.04297	3.4
313.03659	7.0
315.01590	2.6
323.05710	4.5
325.03595	3.5
327.01581	2.8
327.05173	7.6
328.05130	2.4
345.02502	5.7
350.73123	2.1
371.09579	4.5
389.06747	13.7
405.05814	3.1
407.07794	33.1
408.08133	6.3
439.06866	16.6
441.08090	3.0
447.07346	8.8
448.08044	3.0
452.07620	5.8
453.08334	6.5
465.08185	15.2
479.06232	2.7
529.11633	2.8
555.09528	6.8
573.10352	7.2
591.11377	9.4
597.29150	2.2
617.09387	7.5
743.12683	78.9
744.12714	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03456	6.9
59.01382	4.8
63.05176	0.4
68.99812	0.6
70.60651	0.6
71.01392	5.1
72.99315	1.0
75.00869	0.7
83.01395	1.0
84.02172	1.7
85.02959	62.8
86.03298	1.7
87.00887	0.8
89.02453	1.9
103.00394	1.1
106.67528	0.4
111.00942	0.4
115.00348	0.8
129.01956	3.4
133.01468	3.2
135.04552	3.3
147.03009	5.2
159.14569	0.4
173.00963	0.9
175.89963	0.4
179.03575	2.1
189.41386	0.5
191.02003	17.8
192.02303	0.8
209.03047	100.0
210.03387	5.0
353.05063	1.3
371.06216	11.1
372.06534	1.2
648.11810	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	743.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99863	1.9
55.18742	1.7
59.01402	2.1
60.99315	23.7
61.98825	7.0
69.02271	17.2
88.98814	100.0
98.22618	3.1
113.92209	2.0
116.92889	4.1
125.02468	2.8
146.69412	1.7
150.03224	1.8
160.01538	1.7
165.05571	2.1
169.01433	2.3
195.06625	3.2
255.02928	6.0
271.02481	24.6
292.92041	1.6
299.01932	8.0
299.99533	1.7
300.02759	45.6
301.03171	5.3
315.05167	42.5
316.05420	6.1
477.10345	4.6
650.43274	2.3
653.15155	33.5
654.14978	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	743.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	68.5
70.87097	74.9
70.87442	58.7
107.95941	55.2
183.56865	50.5
255.23370	100.0
261.99869	47.2
509.29062	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55131	14.3
61.98834	25.4
69.40688	100.0
78.95921	80.8
152.99591	38.7
237.67578	15.4
259.78409	18.4
353.58759	18.1
743.44977	44.0
744.44739	16.4
768.99579	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	744.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53038	1.4
56.68629	1.2
61.98828	3.7
65.69881	1.3
68.57079	1.1
68.99823	14.2
70.61560	2.5
70.61902	1.4
93.03491	1.6
95.01390	3.9
95.99253	1.0
106.31565	1.0
109.02953	3.7
116.16810	1.0
121.02980	2.5
123.00905	10.7
125.02438	6.9
135.04477	1.3
137.02463	4.6
138.03235	23.8
139.04030	3.7
147.00980	1.7
148.05421	1.3
149.02426	2.9
150.03227	2.8
153.02003	6.1
153.05583	29.5
154.05923	2.1
160.01759	1.3
161.02496	1.5
161.06186	1.4
162.03261	1.5
162.06821	1.3
165.01978	7.0
165.05579	4.0
168.04289	17.4
169.01581	1.4
175.00343	10.8
176.01158	18.0
177.01967	13.0
177.05544	1.5
178.02705	9.4
179.03470	1.8
180.04298	3.1
190.02722	1.3
191.03525	16.0
192.04306	25.4
193.01433	20.3
193.05023	8.5
194.01924	1.6
195.06622	4.9
207.06648	29.1
208.03780	34.4
209.04463	3.7
223.06126	100.0
224.06531	7.5
225.07712	3.4
238.04895	2.1
295.06110	1.3
296.06952	2.1
298.08432	1.2
306.08881	1.2
312.09845	2.3
313.10892	2.9
327.12439	3.3
353.12759	2.0
440.11194	1.6
441.11908	1.4
445.11652	1.9
455.14053	2.0
456.14557	1.6
457.15503	1.6
459.13052	2.4
460.14188	4.5
465.93402	1.3
472.14029	7.4
474.15604	2.3
475.16611	3.3
487.16513	3.7
489.17719	5.7
490.18729	9.2
491.18823	1.9
500.17215	1.4
502.18698	12.7
503.18918	2.9
696.24817	1.9
714.25525	4.4
715.26465	1.6
726.25470	2.8
744.26611	48.8
745.27100	18.7
768.04980	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	744.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23163	2.2
59.01374	6.5
60.99302	2.3
61.98840	11.1
70.45035	6.3
71.01393	3.6
78.71444	1.9
83.05025	4.6
84.95108	2.0
85.00445	6.9
126.21117	1.8
138.59117	1.9
171.10291	2.8
184.18828	1.8
195.13884	8.0
197.11867	3.7
205.12364	5.8
206.17563	2.1
209.11842	100.0
210.12195	7.9
211.13380	4.2
212.80490	2.3
223.13394	68.7
224.13765	4.9
227.12885	17.2
235.08257	4.5
253.09290	11.6
305.33017	2.2
318.72604	2.0
445.20779	5.5
459.22571	10.9
460.22598	2.1
651.33942	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	745.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.9
58.82938	1.0
59.01425	1.0
62.45736	1.0
81.03482	1.8
83.01400	2.0
93.03444	1.7
95.01389	1.8
98.21790	4.5
105.03446	2.2
107.01489	1.1
109.02966	7.9
112.21788	1.0
121.02969	3.2
123.00951	1.9
123.04512	1.2
124.01677	1.4
125.02460	100.0
126.02831	4.8
131.04977	1.2
133.02950	2.1
137.02472	16.1
139.04002	5.5
149.02426	2.6
151.03999	5.3
154.63983	1.1
159.04576	1.7
161.02461	24.6
162.02887	1.8
163.04005	2.2
164.01152	4.4
165.01952	6.2
167.03558	7.2
169.01436	17.9
175.04015	10.0
177.01959	18.3
177.05611	3.4
179.03537	4.5
184.08789	1.3
187.04016	2.6
189.01930	1.3
193.01514	3.2
193.05133	1.3
197.04567	4.0
199.04070	3.5
201.01996	1.3
201.05609	2.2
203.03470	3.4
217.05075	5.0
219.03049	2.8
219.06696	3.5
221.04610	1.5
225.05585	2.2
227.03532	3.0
229.01112	1.8
229.05022	2.1
243.02983	10.2
245.04581	6.3
253.05104	1.2
255.02983	10.2
256.03671	2.7
257.04602	2.3
261.04025	2.6
261.07852	1.3
269.04544	13.4
270.04922	2.0
271.06326	1.4
273.04077	2.6
283.02573	4.6
285.04092	2.9
287.05661	17.1
288.06131	1.2
289.07278	4.3
297.04099	4.3
299.05569	2.6
303.04916	1.8
305.06668	15.9
306.06985	2.1
403.60535	1.3
405.06183	5.8
407.07779	7.1
408.08246	2.0
423.07260	43.1
424.07788	7.5
425.08878	1.8
431.12219	2.2
441.08420	5.1
449.08685	6.9
457.07660	2.1
460.12619	1.2
467.09903	7.9
557.10480	1.4
575.12164	7.1
576.12177	1.8
593.13147	11.4
594.13062	2.0
745.14813	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	745.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	0.7
57.03453	10.7
69.03461	1.0
71.26724	0.6
81.03436	1.4
83.01411	3.1
93.03445	1.8
95.01396	1.2
95.05037	0.7
97.02956	1.0
105.03460	2.1
107.05049	1.1
109.02968	7.2
110.18818	0.7
111.04531	0.7
111.45308	0.6
121.02963	1.0
123.00932	2.8
123.04519	0.9
124.01687	1.7
125.02460	100.0
126.02824	3.7
131.05026	1.7
133.02983	4.0
134.21114	0.5
135.04514	1.2
137.02464	14.3
138.03299	0.6
139.04037	5.1
145.03036	1.0
147.04518	1.1
149.02444	2.3
149.06113	0.7
150.03255	1.2
150.64258	0.6
151.00348	0.9
151.04018	6.4
155.05177	0.6
159.04568	2.4
161.02461	27.6
162.02983	2.2
163.00401	2.4
163.04008	2.2
164.01166	2.7
165.01953	6.1
166.02681	1.0
167.03535	6.5
169.01439	23.1
170.01772	1.5
171.04471	0.8
173.06030	0.7
175.04022	11.1
176.04378	0.8
177.01942	14.2
177.05573	2.4
178.02347	1.3
179.03470	5.2
183.04504	1.6
187.04108	1.7
189.01930	1.6
189.05574	0.7
191.03487	0.8
193.01454	2.0
193.05118	1.4
197.06073	1.0
199.04076	3.4
200.04762	0.8
201.01936	2.0
201.05629	2.1
202.02501	0.7
203.03523	2.7
204.04268	1.6
205.01495	0.7
211.03957	1.3
213.05676	1.5
215.03546	1.8
216.04102	0.6
217.05092	6.9
219.03098	2.8
219.06609	3.8
221.04593	1.7
225.05615	1.7
227.03566	3.7
229.01535	3.2
229.05025	2.1
241.05022	1.2
243.02992	12.1
243.06633	1.2
245.04596	5.2
245.08327	1.2
255.03038	9.8
256.03699	2.5
257.04480	1.4
258.84561	0.7
261.04086	2.6
269.04559	10.2
270.04916	1.0
273.04074	2.5
283.02563	5.0
284.02988	1.0
285.04089	3.0
285.07303	0.7
287.02493	0.7
287.05630	15.5
288.02951	0.7
288.06024	2.3
289.07275	3.2
297.04013	5.3
299.05573	1.8
300.99994	0.8
303.05002	1.0
305.06693	23.4
306.07013	2.1
319.04694	2.5
331.04752	0.8
337.07147	0.8
352.37845	0.7
379.08420	0.9
387.05478	1.0
389.07336	0.6
395.07779	0.7
405.06125	5.2
406.06610	1.2
407.07648	3.5
408.07947	0.7
413.08655	0.8
423.07251	52.4
424.07550	8.8
425.08826	3.7
426.09064	0.7
427.11673	0.7
431.07648	1.3
441.08405	3.1
449.08722	3.3
450.09274	1.0
457.07883	2.7
458.08243	0.7
467.09918	7.8
468.10141	1.1
557.10638	1.6
575.12445	3.4
576.09644	0.9
578.84930	0.6
593.13135	8.2
594.13477	1.1
619.10809	1.4
745.14294	2.0
746.14215	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	745.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	10.6
61.75718	1.1
69.03455	1.1
79.04294	0.9
81.03471	1.2
82.64047	0.9
83.01404	3.2
93.03475	3.5
97.02961	2.7
105.03442	1.2
107.05034	2.0
109.02962	15.1
121.02937	5.5
123.00851	1.7
123.04543	8.3
124.01681	1.2
125.02460	100.0
126.02783	3.0
128.03549	2.2
131.05029	1.2
133.02963	2.5
135.04518	4.3
137.02458	15.0
139.04074	2.2
141.00229	1.2
143.04674	3.6
145.02992	4.1
149.02454	9.0
149.06064	1.2
151.04024	9.9
159.04533	3.4
161.02478	2.6
161.06125	4.3
163.00400	3.2
163.04037	2.0
164.01180	2.7
165.01938	4.6
167.03490	1.6
169.01434	22.7
170.01929	1.2
175.00328	2.5
175.03954	8.1
176.01147	1.6
177.01941	73.4
178.02292	5.0
179.03459	2.4
183.01193	1.3
183.04457	2.4
185.02480	1.3
187.04053	6.0
188.04712	1.8
189.01994	1.1
190.02713	1.0
191.03455	2.3
193.01506	2.5
199.04022	2.9
199.07660	1.1
201.05594	3.5
203.03461	1.9
203.07164	6.3
205.01500	1.3
205.05031	4.8
211.04062	1.4
213.05495	1.8
215.03569	2.0
217.05141	2.3
218.05525	1.1
219.03067	1.9
221.08139	1.1
227.03534	3.5
227.07162	1.7
228.04219	2.0
228.72476	1.2
229.05022	3.2
230.05629	1.4
231.03020	1.6
243.03014	9.5
245.08189	7.8
253.05171	3.3
255.03015	12.2
256.03748	7.7
257.04565	3.4
259.06241	1.4
261.03943	3.1
269.04529	2.0
271.06165	11.1
272.06396	1.4
272.08917	3.9
273.04282	1.6
281.04544	2.8
283.02545	2.1
285.04034	4.2
289.07214	47.6
290.07550	2.3
297.03659	1.3
301.03732	1.4
303.05209	7.1
313.03619	1.3
315.05243	1.9
321.04340	2.9
339.08664	1.5
389.06653	7.2
390.07144	1.3
407.07751	85.9
408.08124	11.7
425.08762	2.4
441.08264	9.3
442.08655	2.9
449.08670	3.5
467.09903	8.9
468.10312	2.9
473.05566	10.7
559.08649	4.5
560.09381	1.4
568.83911	1.1
575.11932	3.2
576.12158	1.5
577.09760	3.9
581.56305	1.2
593.13043	9.0
594.13519	1.2
619.10767	3.3
699.31970	1.3
745.14172	4.4
746.15125	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	745.1415
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
56.41191	1.1
57.03455	10.9
69.27066	1.2
81.03459	2.7
83.01396	2.9
89.14453	1.2
93.03492	2.6
97.02953	3.2
98.22613	3.2
109.02975	16.4
110.03262	1.7
119.04964	1.3
119.42337	1.3
121.02942	6.8
122.03681	1.7
123.00890	2.6
123.04562	11.7
124.01676	1.7
125.02465	100.0
126.02804	3.7
133.02966	2.7
135.04567	2.2
137.02466	18.0
139.03998	2.5
149.02454	7.6
151.04018	10.3
151.05054	1.6
159.04541	2.1
161.02460	8.3
161.06085	2.7
163.00287	2.0
163.04027	5.6
164.01224	3.0
165.01929	5.1
166.02924	1.6
167.03540	7.4
169.01454	21.5
173.06140	1.8
175.04037	12.0
176.01161	1.8
177.01952	66.4
178.02327	5.5
179.03552	5.2
185.06058	1.4
187.04070	7.6
188.04648	2.2
189.01912	1.6
199.04007	1.4
201.01997	1.6
201.05641	2.2
203.03554	2.6
203.07126	6.1
205.05070	6.8
211.04065	1.8
212.04813	1.4
213.05531	3.3
217.05055	5.0
219.03157	1.5
219.06638	1.6
229.05057	4.9
229.51941	1.7
231.02925	3.1
240.04352	1.7
241.05135	2.3
243.03027	7.0
245.04469	2.3
245.08229	8.8
247.06029	1.6
253.05081	1.6
255.02927	7.9
256.03683	4.1
257.04388	1.7
261.03967	2.9
267.03052	2.4
269.04483	3.7
271.06107	2.9
273.04062	7.2
281.04602	3.2
283.02429	1.6
285.04071	19.4
286.04355	2.4
287.05667	2.8
289.07220	41.6
290.07562	3.6
297.04062	4.6
303.05139	13.1
315.05124	2.4
319.04596	5.7
339.08777	3.4
381.09698	2.5
407.07755	50.3
408.07913	7.1
419.07501	1.4
423.07352	8.5
425.08853	23.0
426.09091	4.1
437.08942	9.4
441.08246	4.4
449.08981	12.7
450.09402	2.2
467.09714	6.3
468.10028	1.6
489.12585	1.8
509.14615	1.4
531.13446	1.6
540.50922	1.6
543.78278	1.5
575.11981	11.3
576.12091	2.5
593.13129	30.1
594.13361	6.2
665.71088	1.6
745.14282	3.8
746.13849	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	745.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	10.6
67.01900	0.7
69.40221	3.1
76.24906	0.6
81.03450	2.0
83.01383	2.2
90.25076	0.7
93.03461	1.1
95.01384	1.0
97.02950	1.3
105.03499	2.5
107.05040	1.4
109.02974	4.6
109.35989	0.6
110.64414	0.8
111.04536	1.1
121.02963	1.0
123.00896	1.1
123.04525	1.7
124.01727	1.2
125.02464	100.0
126.02818	3.7
131.05057	0.8
133.02957	2.8
135.04500	0.9
137.02466	12.6
139.04018	3.3
145.02957	1.1
149.02429	1.7
151.04056	5.7
159.04601	0.9
161.02464	27.1
162.02849	1.7
163.00397	2.0
163.04044	1.4
164.01205	3.1
165.01976	5.7
167.03526	4.8
169.01453	20.4
170.01755	0.8
173.06157	0.9
175.04024	11.1
177.01942	13.7
177.05554	3.1
178.02370	1.2
179.03511	3.6
183.04510	0.9
187.04036	1.5
189.01917	1.4
191.03473	0.8
193.01450	3.0
193.05080	2.2
197.06099	1.0
199.04082	2.7
201.02014	1.4
201.05611	2.2
203.03520	2.7
205.01486	1.2
213.05647	1.2
215.03560	2.0
217.05081	5.2
219.03041	2.6
219.06702	2.9
221.04564	2.3
225.05583	1.7
227.03593	3.4
229.01443	4.1
229.05023	1.3
241.05086	0.8
243.02997	11.9
243.06676	1.3
245.04530	6.0
255.03079	7.2
256.03680	2.0
257.04617	1.8
261.04144	2.6
261.07718	1.1
269.04596	8.9
271.06152	0.9
273.04227	1.9
283.02637	4.1
283.05688	0.8
284.02820	0.8
285.04135	3.6
287.05634	18.5
288.05936	1.7
289.07278	3.7
297.04037	2.0
299.05469	1.3
303.05228	0.9
305.06702	21.9
306.07095	2.4
319.04712	1.5
331.04419	1.6
351.66183	0.7
379.08487	1.0
387.05231	1.9
389.01923	0.8
389.06833	0.8
401.85626	0.9
405.06152	5.5
406.06769	1.3
407.07767	8.8
408.08255	1.3
413.08575	1.0
423.07263	44.2
424.07574	7.0
424.20435	0.8
425.09076	3.1
426.09106	1.3
431.07748	2.2
432.08444	0.7
441.08423	2.3
449.08749	3.8
450.08908	1.0
457.07611	3.8
458.08066	1.1
467.09781	6.6
468.10260	1.2
557.10602	1.5
575.11633	6.3
576.12683	1.0
593.13190	7.1
594.13330	2.3
619.10889	1.9
745.14441	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	745.1415
Annotation	Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
Peak:m/z	Relative Intensity
57.03183	0.7
57.03453	10.7
69.03461	1.0
71.26724	0.6
81.03436	1.4
83.01411	3.1
93.03445	1.8
95.01396	1.2
95.05037	0.7
97.02956	1.0
105.03460	2.1
107.05049	1.1
109.02968	7.2
110.18818	0.7
111.04531	0.7
111.45308	0.6
121.02963	1.0
123.00932	2.8
123.04519	0.9
124.01687	1.7
125.02460	100.0
126.02824	3.7
131.05026	1.7
133.02983	4.0
134.21114	0.5
135.04514	1.2
137.02464	14.3
138.03299	0.6
139.04037	5.1
145.03036	1.0
147.04518	1.1
149.02444	2.3
149.06113	0.7
150.03255	1.2
150.64258	0.6
151.00348	0.9
151.04018	6.4
155.05177	0.6
159.04568	2.4
161.02461	27.6
162.02983	2.2
163.00401	2.4
163.04008	2.2
164.01166	2.7
165.01953	6.1
166.02681	1.0
167.03535	6.5
169.01439	23.1
170.01772	1.5
171.04471	0.8
173.06030	0.7
175.04022	11.1
176.04378	0.8
177.01942	14.2
177.05573	2.4
178.02347	1.3
179.03470	5.2
183.04504	1.6
187.04108	1.7
189.01930	1.6
189.05574	0.7
191.03487	0.8
193.01454	2.0
193.05118	1.4
197.06073	1.0
199.04076	3.4
200.04762	0.8
201.01936	2.0
201.05629	2.1
202.02501	0.7
203.03523	2.7
204.04268	1.6
205.01495	0.7
211.03957	1.3
213.05676	1.5
215.03546	1.8
216.04102	0.6
217.05092	6.9
219.03098	2.8
219.06609	3.8
221.04593	1.7
225.05615	1.7
227.03566	3.7
229.01535	3.2
229.05025	2.1
241.05022	1.2
243.02992	12.1
243.06633	1.2
245.04596	5.2
245.08327	1.2
255.03038	9.8
256.03699	2.5
257.04480	1.4
258.84561	0.7
261.04086	2.6
269.04559	10.2
270.04916	1.0
273.04074	2.5
283.02563	5.0
284.02988	1.0
285.04089	3.0
285.07303	0.7
287.02493	0.7
287.05630	15.5
288.02951	0.7
288.06024	2.3
289.07275	3.2
297.04013	5.3
299.05573	1.8
300.99994	0.8
303.05002	1.0
305.06693	23.4
306.07013	2.1
319.04694	2.5
331.04752	0.8
337.07147	0.8
352.37845	0.7
379.08420	0.9
387.05478	1.0
389.07336	0.6
395.07779	0.7
405.06125	5.2
406.06610	1.2
407.07648	3.5
408.07947	0.7
413.08655	0.8
423.07251	52.4
424.07550	8.8
425.08826	3.7
426.09064	0.7
427.11673	0.7
431.07648	1.3
441.08405	3.1
449.08722	3.3
450.09274	1.0
457.07883	2.7
458.08243	0.7
467.09918	7.8
468.10141	1.1
557.10638	1.6
575.12445	3.4
576.09644	0.9
578.84930	0.6
593.13135	8.2
594.13477	1.1
619.10809	1.4
745.14294	2.0
746.14215	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	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
58.00605	5.3
59.01384	97.1
61.98827	1.0
68.44284	1.0
71.01390	79.5
71.27158	1.6
72.01717	1.5
72.99318	7.5
73.02945	1.1
83.01391	4.1
85.02959	12.3
87.00864	3.8
89.02454	100.0
90.02782	1.4
93.03474	2.4
95.01408	3.7
96.96004	3.0
97.31240	0.9
97.87729	1.0
101.02452	43.2
102.02808	1.2
104.87096	1.2
108.02188	1.3
113.02461	29.0
114.02818	1.3
119.03516	44.1
120.03751	1.0
121.02943	4.0
122.03755	5.7
125.02445	4.0
131.03542	4.2
143.03525	6.5
149.02448	13.0
149.04532	2.3
150.03253	35.8
151.00294	1.6
151.03607	1.6
160.01671	1.4
161.02408	1.9
161.04562	5.2
164.01260	1.1
164.04784	1.8
165.05579	33.0
166.05945	1.5
167.03606	1.4
169.01392	3.9
177.01973	1.1
178.99872	1.4
179.05667	12.4
180.04347	1.2
195.06642	20.7
196.07018	1.6
205.04955	1.2
255.03143	1.2
268.07492	1.3
271.02512	3.5
279.06665	1.8
280.07474	1.7
283.09579	1.3
283.75098	1.0
296.06741	2.5
300.02631	7.2
301.03394	3.9
301.07846	1.0
308.07043	2.0
309.07358	1.3
311.09293	2.8
323.09229	4.1
324.06555	1.2
324.09982	1.9
338.11395	1.8
339.08783	16.1
340.09250	2.6
354.11151	6.8
369.13470	32.6
370.13748	4.9
396.11862	1.1
496.81247	1.1
517.18695	10.7
518.18964	2.2
544.82001	1.2
583.10663	5.8
584.11108	2.2
745.27527	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	746.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18387	1.1
57.03458	7.0
58.02972	4.9
58.03805	1.1
69.03462	2.8
71.01409	1.2
71.26936	1.6
74.02487	11.7
79.38979	1.0
81.03479	1.5
83.01410	6.3
86.02489	3.9
86.06120	1.6
93.02370	1.0
93.03488	3.0
95.01392	2.0
96.96029	5.8
97.02953	3.1
99.04478	1.5
99.05642	11.6
100.00430	1.2
101.07217	1.9
102.05630	1.1
107.01403	2.4
109.01254	1.5
109.02982	6.2
109.04086	1.6
111.00893	1.7
111.05661	1.8
112.04049	1.2
121.01228	1.6
121.02987	3.2
123.00847	1.3
123.04520	1.6
125.00665	3.6
125.02460	88.6
126.02806	4.7
128.03554	33.6
129.03879	1.4
133.03030	1.2
135.05673	2.9
137.00829	1.9
137.02463	48.3
138.02824	2.2
139.04031	2.9
141.00177	9.2
143.04637	44.1
143.05779	2.4
144.05005	1.5
145.03096	1.5
146.04590	3.0
149.00705	2.2
149.02467	22.3
149.03647	2.2
151.04016	3.0
153.00157	7.8
159.04503	3.2
161.02406	5.8
162.02864	1.1
164.01218	1.1
165.00175	32.8
165.01683	1.9
166.00430	1.2
166.09906	2.6
167.03491	6.8
167.04720	1.2
169.01440	73.0
170.01782	4.9
175.04037	2.5
177.00197	6.0
177.01959	5.0
177.42247	1.0
178.00882	1.4
178.02267	1.2
179.02052	1.2
179.03339	2.2
179.04813	6.3
180.99585	6.1
182.03758	1.7
183.01242	11.2
183.04573	3.6
185.05759	1.7
191.01744	3.0
193.01523	1.4
193.03365	3.5
196.57228	1.1
197.06009	2.4
199.04103	1.6
201.00217	2.0
201.05600	3.1
203.03526	1.8
204.03870	1.1
210.08900	8.8
215.01773	2.4
217.03325	6.1
223.04074	2.5
224.04770	3.3
225.05673	3.2
227.03430	2.9
233.02882	1.0
235.04462	3.2
251.03438	2.3
252.04042	1.8
254.07822	16.5
255.03127	1.3
257.02856	2.6
259.04315	2.1
261.02200	1.6
269.04568	10.1
270.05255	2.6
272.08902	100.0
273.09256	5.9
285.02225	14.4
287.05881	1.6
303.03329	86.8
304.03656	7.8
305.06665	2.2
306.07501	4.1
321.04401	91.5
322.04715	9.5
398.41071	1.3
407.07742	2.2
408.08026	1.7
423.07248	2.9
424.07797	6.0
429.06528	4.2
430.06787	1.7
473.05515	37.5
474.05759	5.7
566.30078	1.2
576.12756	6.8
594.13208	2.3
746.15393	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	746.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31427	1.8
61.82404	1.8
61.98836	35.3
71.01415	2.1
75.66454	1.7
77.27589	1.4
77.98606	1.4
82.15771	1.7
88.98804	1.8
99.92609	3.5
116.92868	24.8
117.92875	10.2
125.02421	6.1
134.89374	1.5
149.02431	2.7
150.03232	1.7
151.00375	2.1
153.46790	1.5
155.39424	1.6
156.51965	1.8
164.04724	1.7
165.01932	2.5
168.70557	1.8
169.01442	3.2
193.11832	1.6
205.05162	1.7
230.52568	1.8
243.03014	5.0
255.03052	18.2
271.02502	36.4
272.03082	5.6
299.01965	9.2
300.02777	100.0
301.03287	8.3
315.05136	88.9
316.05341	9.4
329.06857	2.0
477.10281	8.3
491.12323	2.1
608.35492	1.9
649.51923	1.7
683.16138	51.5
684.16669	14.5
692.54657	1.7
746.26813	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	747.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92012	0.2
69.57883	0.3
74.77551	0.2
79.95746	3.7
96.96021	100.0
97.95973	0.4
98.22600	0.6
120.10660	0.2
121.24280	0.2
123.00863	0.3
226.99846	0.3
247.02455	0.8
247.50789	0.2
300.99966	0.5
613.04810	1.5
614.04803	0.5
631.05792	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	747.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31680	0.6
69.15492	4.0
73.01421	0.4
75.06776	0.4
85.55239	0.5
99.92592	11.8
100.92609	1.1
116.92876	100.0
116.98307	0.5
117.92891	7.4
125.02454	2.6
149.02451	0.7
150.03226	1.8
156.60417	0.5
165.05548	1.0
169.01477	3.0
250.92918	0.5
251.93681	0.9
255.02953	0.8
271.02472	2.9
299.02106	0.7
300.02771	10.4
300.05981	0.8
301.03412	1.5
313.05615	1.5
315.05151	7.9
316.05545	0.8
359.14954	0.7
477.10400	3.0
478.10919	0.6
537.21460	1.3
585.23413	0.8
629.11548	16.7
630.12097	3.3
693.02026	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	747.1424
Annotation	Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03449	3.8
59.01380	4.2
62.97170	2.3
65.00325	7.9
65.53138	2.6
66.85300	2.3
69.80685	2.8
71.01395	3.4
95.01411	2.6
96.96017	8.3
98.22549	5.9
101.02435	4.2
104.38878	2.3
107.01409	16.9
109.02959	3.4
121.02946	4.4
123.00903	10.9
123.04538	2.5
125.02466	86.2
126.02829	3.9
137.02455	8.5
139.00272	3.1
149.02414	2.7
151.00397	59.0
151.04028	5.6
159.04565	2.4
161.02463	3.3
163.00385	4.6
165.01993	3.6
167.03502	4.9
167.11569	2.8
168.00638	4.7
169.01447	81.7
175.00281	3.6
175.04008	4.6
177.01927	14.9
178.99883	10.8
193.01402	5.6
193.04980	3.5
199.03905	2.3
203.03587	2.7
211.02513	6.8
215.03528	2.8
217.05083	2.4
227.03358	3.5
243.03027	5.1
255.02835	5.4
261.03909	3.6
271.02530	31.6
278.36359	2.3
283.02695	2.7
285.04153	4.4
287.05698	2.8
289.07025	3.3
299.02008	20.1
300.02792	37.5
301.00140	5.5
301.03519	66.9
302.03958	6.4
303.04883	3.2
305.06818	4.6
313.05716	26.9
314.06006	3.1
407.07690	5.4
408.08267	4.4
409.08511	3.8
421.07599	3.0
433.07675	5.1
463.08841	4.2
465.06900	9.2
615.09979	100.0
616.09863	21.1
722.88513	2.5
747.14117	87.0
748.14728	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.2
64.43103	1.3
71.26869	1.7
83.01340	1.5
96.96062	2.6
97.03020	1.8
107.01421	1.8
109.02971	1.7
123.00922	1.9
124.01744	1.4
125.02461	64.7
126.02789	2.1
137.02463	3.6
139.04053	1.3
139.05623	1.2
140.08904	1.2
149.02419	1.9
161.02489	3.6
165.01933	2.2
165.05719	1.4
167.03557	1.5
169.01447	100.0
170.01816	4.3
173.23347	1.2
177.01961	3.6
178.02486	1.2
178.28937	1.6
272.09131	1.6
287.05579	1.8
289.07184	3.0
299.99243	1.5
305.06604	2.4
380.96567	1.4
407.07690	1.8
408.08099	1.7
443.10193	1.3
457.07831	7.4
458.08286	1.6
474.06259	1.3
506.39124	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	747.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98821	1.2
65.69199	0.7
69.50509	4.9
71.01385	1.3
73.16251	0.7
85.02953	0.9
87.00860	0.8
89.03986	0.8
113.02512	1.1
117.03477	35.5
118.03834	1.6
119.05047	5.3
123.00974	0.8
125.02470	4.9
132.02170	4.4
134.03789	6.6
145.02969	100.0
146.03313	6.2
150.03232	1.1
160.01674	18.1
161.02411	1.2
163.04033	4.8
165.05568	0.9
168.00577	0.8
169.01456	4.9
175.04013	20.5
176.04387	1.1
193.05061	5.8
234.50983	0.8
255.03143	1.1
271.02512	1.8
289.07101	0.8
290.75861	0.9
300.02899	5.9
315.05243	4.8
483.13007	1.1
559.16663	1.6
571.16357	1.3
577.19415	2.3
583.16821	1.4
645.17908	1.0
653.10040	0.9
663.19092	1.0
705.20563	3.7
706.20612	1.2
716.79340	0.8
747.20532	9.0
748.22211	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	747.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01097	0.3
59.01378	5.3
67.01900	0.6
69.03477	0.5
70.61803	1.0
71.01386	5.3
72.99293	0.6
73.02952	1.0
79.01902	0.5
79.95751	1.6
82.00602	0.4
83.01406	0.8
85.02968	2.3
89.02447	3.5
95.01395	2.0
95.57970	0.4
96.96018	52.8
101.02458	2.8
105.58857	0.3
105.81847	0.3
107.01411	3.3
108.02197	3.0
109.02965	7.2
111.00874	1.4
113.02448	2.8
118.90230	0.3
119.03499	2.1
123.00899	7.8
124.01743	0.8
125.02459	19.6
126.02790	1.0
136.98833	0.8
137.02504	0.5
139.00385	3.1
140.01173	1.8
141.01964	0.7
148.41888	0.4
149.70157	0.4
151.00386	6.2
151.03995	0.5
161.04613	0.4
167.03537	0.3
168.00664	2.9
169.01440	31.2
170.01817	1.6
190.86302	0.4
203.73540	0.3
211.02405	0.4
223.02477	0.5
241.03447	0.5
247.02516	0.7
253.03563	0.6
289.03906	0.9
297.06519	0.4
313.05643	9.0
314.05826	0.7
323.13495	12.5
324.13766	1.7
408.08301	0.6
409.08005	0.4
423.09357	100.0
424.09680	13.0
575.00928	0.4
613.04718	1.3
631.06067	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	747.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98594	0.5
57.03449	0.5
59.01388	4.3
70.53141	0.9
70.53515	0.9
71.01389	6.3
74.02487	0.8
79.64017	0.5
81.03502	0.5
83.01395	1.0
85.02952	2.3
86.77753	0.4
87.00858	0.6
89.02450	3.1
92.35801	0.5
95.01389	1.6
96.96024	4.2
97.02959	0.8
101.02472	3.7
107.01416	3.2
108.02214	3.2
108.49419	0.5
109.02966	8.4
111.00908	0.8
113.02472	2.6
119.03503	1.4
121.03018	0.7
123.00909	7.9
124.01772	0.7
125.02459	22.7
126.02795	1.1
127.00343	0.6
129.96384	0.5
136.98758	0.5
137.02429	0.8
139.00388	3.2
140.01167	1.7
141.01927	0.9
151.00389	8.2
151.03992	0.9
161.04633	0.5
167.03563	0.5
168.00688	3.1
169.01447	34.5
170.01778	1.4
177.01926	1.4
193.05119	0.5
211.02431	1.0
227.82866	0.5
285.04221	0.6
289.04019	1.0
289.07120	0.6
305.06482	0.6
313.05692	7.7
314.06113	0.6
323.13501	12.0
324.13895	1.2
423.09372	100.0
424.09726	14.3
440.09171	0.5
441.09106	0.6
473.05420	0.7
531.94403	0.5
577.13312	0.7
635.53998	0.5
735.56445	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	748.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26175	1.8
61.98824	7.7
71.31012	2.1
71.58875	1.8
78.95911	2.3
96.71955	2.1
100.41167	1.8
169.01393	2.1
175.11276	1.6
183.13867	4.6
198.42957	2.2
211.13417	100.0
212.13782	6.6
235.08269	2.6
238.75331	2.0
253.09300	4.9
309.92368	1.8
447.22415	13.8
604.49725	2.3
623.34149	2.9
641.35077	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	749.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63681	0.5
69.09715	1.9
69.10145	2.5
102.81892	0.5
116.04841	0.5
121.99940	0.5
125.02420	0.7
145.02972	1.4
151.00366	1.3
160.65648	0.5
169.01408	0.7
173.02483	0.8
184.01898	0.6
185.02463	2.1
189.01910	0.5
199.00435	0.5
201.01945	2.2
226.99928	0.6
229.01405	3.6
245.00922	1.6
245.04637	0.7
255.02998	1.1
257.00891	2.1
271.02487	1.4
273.00797	0.5
273.03967	0.9
273.63315	0.5
283.99701	3.4
299.99078	2.4
300.02756	2.3
300.99921	100.0
302.00232	11.1
447.09369	4.7
448.09720	0.7
471.32025	0.5
494.24332	0.6
554.56873	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	750.1314
Annotation	Prunasin 2',3',6'-tri-O-gallate
Peak:m/z	Relative Intensity
54.49392	1.1
58.99237	1.0
61.98822	2.6
65.00303	1.9
65.02711	1.1
67.01913	2.0
69.03452	1.8
71.01392	3.7
79.01911	2.4
85.02949	1.8
95.01380	5.5
96.96048	1.3
97.02954	1.5
98.21831	3.4
98.22527	2.5
107.01392	20.2
109.02950	1.8
111.00902	5.1
115.73942	1.1
123.00900	21.3
124.01690	1.9
125.02460	98.4
126.02802	3.2
127.00315	1.1
135.04565	1.3
136.98808	2.5
139.00410	8.2
140.01192	9.8
141.01952	2.2
151.00412	7.3
161.02394	1.2
166.21358	1.1
166.99908	3.2
168.00662	15.3
169.01443	100.0
170.01802	4.8
175.03969	1.6
191.03500	1.8
193.01392	1.5
211.02534	3.2
228.75294	1.3
232.06767	1.1
233.08607	4.1
237.03969	1.3
241.03474	1.3
249.04030	1.2
279.05032	2.3
295.04773	2.9
297.06110	1.3
300.99951	1.2
313.05695	4.8
428.09738	5.9
446.11069	4.6
449.07178	2.5
580.10992	22.6
581.11456	4.7
598.02863	2.6
598.12067	30.0
599.12231	6.4
625.83521	1.2
750.13171	69.9
751.13348	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40887	4.9
60.35906	4.9
61.98858	26.3
82.52406	5.9
94.57316	5.7
111.64790	5.8
119.05066	8.1
123.04515	18.5
125.02491	8.8
136.01692	29.1
145.02975	10.2
149.02446	19.1
150.03267	49.0
151.04031	90.1
163.03995	7.3
165.01906	5.9
165.05571	24.5
169.01418	5.3
175.04047	54.1
190.06383	17.0
218.05905	13.5
222.05365	21.8
328.11896	100.0
329.12173	8.0
337.07095	10.3
340.09494	9.2
355.11938	12.1
367.11893	63.4
368.12405	9.3
500.17075	6.9
684.24200	12.9
714.25671	95.6
715.25732	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72897	3.4
61.98830	12.2
63.35935	3.2
78.53826	3.2
83.24648	3.1
99.44277	3.9
119.05030	4.0
122.03700	4.5
123.04552	8.3
136.01656	33.0
142.11034	3.0
145.02953	7.7
147.04562	6.7
148.05447	3.3
149.02493	7.7
150.03241	13.5
151.04027	72.3
165.05583	12.7
175.04024	62.3
186.68361	3.5
190.06303	20.8
209.11810	6.7
218.05898	19.5
222.05330	35.8
229.22574	5.5
231.06407	4.4
240.23868	3.9
309.04156	4.8
309.07626	5.3
312.12674	4.2
321.07751	4.0
324.06528	4.5
325.07370	3.5
328.11969	22.9
329.12363	3.4
336.10068	3.8
337.07199	7.5
339.08765	9.5
355.12164	3.8
367.11990	38.5
503.17203	11.5
503.59442	3.5
506.62018	4.1
533.18195	8.8
684.24390	12.5
714.25555	100.0
715.25879	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70501	2.7
80.17912	2.8
83.66940	2.7
111.08839	2.7
183.13873	5.3
211.13412	100.0
212.13754	6.3
235.08138	8.4
237.05780	3.2
253.09280	8.0
277.21747	96.2
278.22107	15.4
430.03922	2.9
447.22211	3.4
515.76477	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	751.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09846	1.1
69.10260	2.3
83.01421	0.4
83.54979	0.3
108.21609	0.4
109.02984	0.4
117.03481	0.7
124.91703	0.3
125.02466	3.3
129.03500	0.6
137.02483	0.8
145.02934	1.4
151.00369	0.4
151.03979	0.5
157.02890	0.5
161.02444	0.7
169.01407	2.2
173.02469	1.5
175.04205	0.4
177.01881	0.6
185.02434	2.0
189.01981	0.6
201.01978	1.7
217.01389	0.5
226.99927	1.0
229.01434	4.1
240.00870	0.4
245.00937	1.3
257.01004	1.8
259.02469	0.5
271.02493	2.1
273.00403	0.5
283.99643	2.4
287.02039	1.8
299.99152	3.0
300.99921	100.0
302.00235	9.2
316.02280	8.0
317.02844	2.4
325.50763	0.4
449.07251	10.4
450.07538	1.7
680.11432	0.4
715.28314	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	751.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87347	4.4
65.00330	5.3
65.09425	4.1
68.08361	5.4
69.55192	25.2
79.01913	6.1
80.48392	4.5
85.02952	6.5
93.03474	8.6
95.01406	30.0
97.70950	4.6
98.22116	12.2
101.02452	5.9
107.01405	7.7
111.00853	4.9
117.03454	9.8
119.05048	6.5
123.00890	64.1
125.02462	47.1
129.03467	5.6
137.02448	13.2
139.00385	8.1
143.01385	5.6
145.02980	26.2
147.04538	13.4
147.06104	4.4
153.05482	4.4
156.02029	4.7
157.02910	15.7
161.02467	20.0
163.00398	9.3
163.04062	13.8
166.99878	39.6
168.96400	5.8
169.01443	36.8
171.00851	10.4
172.42580	4.1
173.02466	20.7
175.04037	12.4
177.01944	14.1
177.14984	4.6
179.03433	4.6
183.51372	4.5
185.02495	5.9
189.01904	13.6
191.03493	37.2
199.00372	7.7
201.01945	37.7
203.03513	19.3
209.01079	6.7
211.02048	4.4
217.01433	17.8
219.03052	14.5
226.99901	17.3
229.01436	38.4
230.02107	8.6
231.02965	13.9
234.04578	5.7
235.02480	12.7
242.99507	6.7
245.00957	22.0
247.02502	68.3
261.00449	6.1
263.01886	22.4
270.98990	10.0
273.00388	59.8
274.00897	8.6
275.01886	8.3
291.01544	31.4
298.98257	24.4
299.99121	14.5
300.99982	46.7
315.01343	7.1
335.00403	14.7
355.04968	6.4
389.05231	8.2
399.03455	10.8
417.04407	7.0
595.03302	8.5
723.08698	5.9
733.06909	100.0
734.07318	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01388	4.9
61.98817	0.9
69.03457	2.0
71.01403	3.5
71.05019	0.9
71.96152	0.5
81.03419	0.5
83.61676	0.5
85.02972	1.3
87.00900	1.1
89.02455	3.2
89.02972	0.6
97.06633	0.6
101.02427	2.6
102.51835	0.6
109.06620	0.7
113.02448	1.4
119.03516	0.9
132.03519	0.6
143.03481	0.6
149.09766	0.6
161.04597	1.2
163.11325	1.4
165.12852	2.4
167.10815	3.2
171.10277	2.0
177.12866	0.8
179.10857	0.9
179.14439	3.5
181.12373	1.0
193.15971	0.5
195.12254	0.9
195.13921	10.4
197.11809	1.2
205.12350	10.1
206.12711	0.7
209.11916	2.0
223.13406	100.0
224.13731	9.2
229.60287	0.5
235.08263	3.7
247.20700	2.9
252.28506	0.6
253.09328	11.1
254.09572	0.6
291.19696	35.5
292.20038	3.8
309.20740	54.9
310.21048	5.9
323.22281	1.4
343.22803	1.4
459.22375	10.7
460.22617	1.4
510.01218	0.6
527.28363	0.7
539.24799	0.6
744.36401	0.6
751.41272	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	751.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
58.47501	0.6
59.01386	10.8
65.23434	0.8
69.03453	2.0
71.01384	7.2
71.05017	0.7
73.02948	1.0
74.38423	0.6
80.02696	0.7
83.01398	0.7
83.05019	0.7
85.02969	1.9
87.00888	0.9
89.02444	4.1
89.17963	0.5
97.02959	0.7
97.06609	1.4
98.21769	2.0
101.02471	5.4
107.12706	0.6
107.42939	0.6
109.06615	1.2
111.08214	1.0
113.02467	2.7
113.09746	0.8
115.07677	1.1
119.03465	1.1
141.09238	1.3
143.03511	0.9
145.05042	0.9
161.04527	2.3
165.12852	2.0
167.10818	3.3
167.14481	0.9
177.12846	0.9
179.05597	0.7
179.10669	1.4
179.14450	3.2
181.12334	2.1
193.12469	1.0
195.13901	12.7
195.50995	0.6
196.14302	0.9
201.05884	0.6
202.09685	0.6
205.12357	10.3
211.13365	2.3
221.11852	1.5
221.15567	2.9
223.13419	100.0
224.13773	8.1
228.82729	1.0
229.14566	0.8
235.08302	6.8
239.12965	1.0
247.20645	3.6
253.09317	10.7
255.16080	2.0
263.20221	1.5
273.18561	1.7
277.18060	2.0
281.21143	0.8
283.30490	0.6
291.19690	33.2
292.20013	4.5
293.21329	1.7
309.20749	94.6
310.21097	10.3
310.86151	0.6
373.23734	0.9
439.66217	0.6
459.22473	8.5
460.22876	1.5
497.33148	1.2
515.33801	1.0
516.33563	0.7
527.28925	3.3
532.64453	0.6
545.29706	12.3
546.30084	3.0
609.33130	1.3
651.77313	0.7
733.41669	1.5
751.42651	3.4
752.42871	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	752.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25370	0.3
59.01371	0.3
61.98836	100.0
69.62246	0.3
71.01373	0.6
71.27649	0.5
73.91408	0.3
74.39326	0.3
78.91914	0.3
79.87281	0.4
80.96535	0.7
83.60283	0.3
96.96084	0.4
121.78875	0.3
131.52782	0.3
153.06081	0.3
163.00336	0.3
169.01614	0.5
175.02538	0.5
209.11827	3.0
211.13420	0.5
225.11411	0.3
253.09203	0.4
307.19434	0.4
350.59357	0.4
359.56052	0.3
403.78287	0.4
544.03955	0.4
752.34009	0.4
753.33575	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	752.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40336	1.6
58.02049	1.6
61.98839	100.0
71.26683	2.7
88.58366	1.6
145.02977	2.8
145.11852	1.5
146.19089	1.6
147.53023	1.7
206.19496	1.8
209.11906	1.7
401.51459	1.8
626.31470	1.6
641.77722	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	753.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	3.5
71.26846	2.1
97.02967	2.3
99.92580	13.0
107.01422	5.4
115.92070	2.6
116.92875	84.4
117.64687	1.9
117.92897	5.5
120.35531	1.6
123.00896	11.2
123.57364	1.6
125.02461	52.1
137.02443	3.2
139.00377	3.8
140.01126	1.7
143.35220	1.7
149.02486	2.9
151.00362	5.3
165.01918	2.5
167.03514	3.7
168.00647	2.8
169.01447	68.0
170.01784	5.2
177.01918	2.7
193.01421	3.5
211.02498	3.7
251.93257	1.9
274.14764	1.9
295.04562	2.3
297.03717	2.0
306.08331	2.0
313.05737	22.5
314.06146	2.9
341.37427	1.8
362.13858	2.0
379.98816	2.8
386.21771	1.9
465.06775	100.0
466.07300	11.3
484.98123	7.3
516.96844	2.2
517.97852	2.1
530.98810	3.1
627.13489	4.1
629.65375	2.0
635.09009	10.5
636.08984	2.0
695.97327	2.5
698.99084	6.8
699.98376	2.2
773.68335	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	753.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07183	1.9
69.66367	9.5
84.13651	1.8
85.02962	2.7
97.19840	2.2
105.03456	2.4
117.03488	7.9
119.05047	3.3
121.02972	2.8
123.00851	2.5
129.03436	2.2
131.01468	2.5
131.05048	2.1
133.03004	12.5
135.04544	2.4
143.01443	2.8
145.02959	17.8
147.00977	2.4
147.04524	7.8
149.02493	2.3
156.55763	2.1
157.02957	3.8
159.00880	4.1
159.04581	3.2
160.01627	3.0
161.02460	19.2
163.00337	6.0
163.04077	10.4
169.02908	1.9
171.00867	8.9
172.01607	2.6
173.02441	24.8
174.02960	2.3
175.00400	3.2
175.03993	8.4
176.01093	4.3
177.02007	9.9
179.03444	3.7
185.02470	3.5
187.00403	12.9
188.01018	3.9
189.01955	32.5
190.02707	14.7
190.99841	2.3
191.03526	40.1
199.00397	7.4
199.04010	2.6
200.01053	3.3
201.01991	22.6
203.03520	11.0
205.01431	5.3
213.02055	2.9
214.99876	17.0
215.03532	2.6
216.00729	4.9
217.01447	55.1
218.02069	5.7
219.03021	23.7
220.03442	3.7
226.99902	11.2
229.01418	33.6
230.02057	4.8
231.03003	12.4
233.00740	3.8
242.99408	16.8
243.03033	2.6
244.00031	7.9
245.00932	65.2
246.01436	4.8
247.02515	100.0
248.02840	8.7
249.04030	4.0
254.99538	2.8
257.00912	3.1
259.02435	5.1
259.99643	4.9
261.00366	8.8
261.04047	3.7
263.02032	3.5
270.98865	81.5
271.99310	10.3
273.00443	49.7
274.00827	6.8
275.01938	10.1
286.98477	3.0
287.02020	4.4
287.98901	2.7
289.00006	6.9
289.03439	2.0
291.01523	17.1
298.98364	35.1
299.98947	11.4
300.99948	43.5
302.00339	4.6
303.01624	3.3
331.01065	3.0
333.02390	4.7
377.28351	2.0
403.03174	3.5
419.02435	2.4
430.24615	2.3
435.05347	3.6
443.02432	6.4
445.04160	4.3
451.05481	5.4
461.03882	3.6
463.05038	2.3
509.25568	2.7
679.06079	3.6
691.05481	5.4
725.06506	7.0
726.06433	3.1
735.04749	54.5
736.05200	16.2
753.05255	8.4
754.06628	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	753.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47020	0.8
62.19567	0.8
62.29167	0.8
65.00330	2.2
67.10132	0.8
69.12781	6.2
85.02962	0.9
89.04006	1.7
93.03493	1.2
95.01413	2.5
95.57473	0.9
98.12865	0.8
99.85707	0.8
100.57774	0.9
101.03963	1.2
103.01934	1.1
105.01095	0.9
105.03484	3.0
107.01379	0.9
107.05006	1.1
117.03498	8.1
119.01385	1.6
119.05061	4.7
121.02946	3.1
123.00904	3.6
123.04536	0.9
125.02448	2.9
129.03470	3.3
131.01425	3.0
131.05058	1.4
132.02200	1.6
133.02972	11.3
135.00893	1.1
135.04552	5.7
137.02501	2.6
143.01367	3.0
143.05115	0.9
145.02965	22.5
146.03404	1.6
147.00905	3.1
147.04530	9.4
148.01617	1.0
149.02443	2.6
151.03967	1.0
157.02921	4.3
159.00885	3.8
159.04497	2.9
160.01668	2.9
161.02461	22.2
162.02907	2.1
163.00421	4.9
163.04028	15.3
164.01187	1.1
164.04483	1.4
165.01933	3.0
169.01389	1.1
171.00871	7.1
171.04521	0.9
172.01613	1.4
173.02466	19.9
174.03067	2.9
175.00394	2.1
175.03996	10.1
176.01172	3.7
177.01952	9.4
178.02321	0.9
178.99844	1.2
179.03577	4.3
185.02440	5.1
187.00383	12.0
187.03992	2.7
188.01064	3.8
189.01952	30.9
190.02693	10.5
190.99893	3.0
191.03529	36.3
192.00508	1.2
192.03902	2.1
199.00359	6.2
200.00986	2.0
201.01968	23.2
202.02406	2.9
203.03560	11.3
204.04045	1.4
205.01443	5.6
207.02983	1.2
209.00935	2.7
213.01910	2.7
214.02708	1.2
214.99873	12.7
215.03432	2.0
216.00522	5.3
217.01425	45.6
218.02168	5.2
219.02991	20.5
220.03336	1.5
221.04564	1.4
222.01732	1.8
226.99925	6.6
227.03410	1.7
228.00539	2.4
229.01431	29.1
230.01938	4.4
230.99315	1.4
231.02988	12.2
232.03310	1.5
233.00928	3.3
235.02489	3.6
242.99356	18.9
243.03085	2.4
244.00064	5.8
245.00926	60.3
246.01373	7.3
247.02495	100.0
248.02831	8.1
249.03984	5.7
254.99385	1.4
257.00909	7.2
258.01654	3.5
258.98859	1.0
259.02432	3.5
259.99527	2.9
261.00464	12.5
261.03333	1.4
262.00830	1.5
263.01950	7.8
270.98868	72.5
271.99408	8.7
273.00436	48.2
274.00879	4.6
275.01981	20.9
276.02292	3.3
283.99692	2.1
285.04120	1.3
286.98340	3.2
287.01984	2.5
288.99875	8.6
289.03464	2.6
290.00317	1.2
291.01498	17.1
298.98364	25.1
299.01703	1.7
299.99033	8.2
300.99924	80.4
302.00244	9.6
303.00754	2.0
309.04062	1.3
316.99393	2.1
333.02490	4.4
401.01382	1.2
403.03232	1.6
407.05978	2.0
409.60312	1.0
417.04639	1.4
433.03943	1.1
435.05725	2.7
443.02899	2.0
445.04019	2.1
451.04932	2.7
461.03543	3.1
462.04196	1.2
463.05161	3.1
481.06128	1.0
505.02243	1.2
679.05536	1.2
681.07507	1.8
691.05750	3.1
707.05298	4.2
709.06659	2.6
725.06372	8.3
726.06354	2.2
735.04834	30.9
736.05188	9.1
753.05603	11.9
754.05902	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	753.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	15.1
60.42775	0.9
65.00317	1.2
71.26644	1.2
71.26984	1.5
81.03444	1.5
83.01386	3.4
85.73772	1.0
87.36436	1.1
88.50311	1.0
93.03404	1.5
96.95993	2.5
97.02966	2.1
104.51621	1.1
107.05037	1.6
108.02190	1.5
109.02980	10.5
117.03472	1.1
121.02943	3.0
123.00866	1.9
123.04536	9.3
125.02464	100.0
126.02780	2.7
132.02193	1.6
133.02991	4.9
134.03731	2.0
135.04549	2.9
137.02478	18.6
139.04007	1.7
145.02953	5.1
149.02461	4.7
149.06119	1.2
149.28197	1.0
150.03204	2.2
151.04031	7.1
152.04398	1.2
159.04538	5.1
160.01720	1.8
161.02466	29.0
161.06100	4.4
162.03052	3.6
163.00310	1.5
163.04039	3.7
164.01164	3.3
164.49228	1.3
165.01968	7.0
167.03503	1.3
169.01448	3.0
175.04033	11.3
177.01938	13.1
178.02560	1.1
179.03513	2.0
183.04532	1.2
185.06102	2.2
187.04082	6.4
188.04875	1.7
199.03996	1.9
201.05576	2.7
203.03441	1.3
203.07118	5.6
205.05078	4.0
211.04034	2.2
212.04671	1.2
213.05577	1.3
217.05078	3.4
219.03111	1.6
221.08383	1.3
225.05667	1.5
227.03584	2.4
227.07181	2.7
228.04390	1.7
229.05006	3.6
237.05629	2.1
243.02800	5.9
245.04602	4.2
245.08096	6.2
253.05098	1.8
255.03014	7.9
256.03635	3.3
257.90823	1.3
261.04089	1.2
269.04608	1.4
271.06213	8.5
273.04037	5.3
281.04684	2.2
283.02454	2.5
285.03918	2.8
287.05609	8.1
289.07233	35.8
290.07523	3.3
296.58701	1.2
297.04111	2.0
299.05679	4.8
321.07751	1.8
329.06653	1.2
339.08765	2.6
363.08899	1.5
381.09726	2.4
389.06772	6.4
407.07733	57.8
408.08078	9.0
425.08771	5.9
426.09244	2.0
433.09180	2.6
451.10266	12.7
452.10764	2.2
465.11948	2.6
559.12262	3.2
577.13501	11.4
578.13641	1.4
583.12323	2.2
601.13855	8.4
602.13367	1.7
627.15057	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	753.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01380	6.5
61.98837	21.1
66.01992	0.8
71.01385	6.0
73.02927	0.7
80.02670	1.2
81.03458	1.6
83.01393	1.3
83.05027	4.7
84.02197	0.9
85.02971	1.4
87.00895	1.3
89.02451	3.4
91.12707	0.7
95.05028	1.7
96.96027	1.3
97.02939	1.5
97.06580	1.3
98.21825	2.2
101.02464	4.5
109.06582	2.9
113.02459	2.2
113.12878	0.7
113.15586	1.0
121.06606	0.9
123.04567	1.6
123.08151	0.8
125.02413	0.9
125.09727	3.0
130.31343	0.9
131.02995	0.8
135.08203	0.9
137.09734	1.5
149.09659	0.8
161.04576	1.7
161.09735	1.1
163.11319	8.2
165.12880	3.6
171.10254	9.3
173.09648	0.9
174.35258	0.8
179.10858	0.9
181.12415	1.5
185.11887	4.7
191.10786	1.2
191.14447	5.6
197.11879	1.3
199.13353	1.0
201.09186	0.7
207.10254	4.8
209.11852	100.0
210.12201	8.6
211.13402	1.1
223.13504	1.3
225.11345	10.6
226.11797	1.1
227.12907	13.6
228.13246	0.9
235.08211	3.6
235.13255	0.9
245.19101	7.0
253.09332	12.0
254.62227	0.7
259.13470	0.7
261.54044	0.8
267.47220	0.7
271.17245	1.3
289.18118	56.1
290.18399	6.1
291.19678	2.9
307.19177	24.6
308.19394	2.5
309.21027	4.1
327.19742	2.6
345.20767	3.3
461.20523	1.6
481.29343	1.0
483.76080	0.8
525.27142	1.7
581.29633	1.5
717.38635	1.8
735.39758	6.0
736.40277	1.6
753.41064	4.4
754.41003	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	754.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98538	0.4
65.03082	0.3
71.26631	0.3
75.66740	0.3
80.96542	0.4
121.69215	0.3
125.02482	0.4
144.72755	0.3
161.78860	0.3
163.32179	0.3
169.01477	0.5
178.04303	0.3
209.12012	0.6
217.36574	0.3
273.00769	0.3
275.02121	0.5
301.00052	0.9
433.00372	0.4
525.32843	0.3
618.23242	0.3
655.82233	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	754.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.8
61.98837	100.0
70.76069	1.2
78.95940	0.7
81.01138	0.4
131.54745	0.5
203.84521	0.5
209.11784	0.5
211.13335	0.7
277.22049	0.6
291.19803	0.6
307.19067	0.5
309.20743	1.1
313.82895	0.5
693.70831	0.5
755.41791	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	755.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11023	1.0
61.80947	1.3
69.37136	1.3
71.26531	1.5
71.26896	1.4
80.26822	1.3
113.80814	1.3
117.03472	2.4
119.05029	3.8
123.00871	1.6
125.02495	2.4
133.02977	1.9
145.02974	8.4
147.04521	6.1
157.02934	1.9
159.04459	2.4
161.02394	3.4
163.04059	2.7
169.01407	1.8
173.02432	8.8
174.03214	1.5
175.00484	1.4
175.04013	7.0
177.01930	5.6
185.02493	5.9
189.01938	8.1
190.02748	8.2
191.01945	2.4
191.03543	23.7
192.03906	2.4
193.01430	1.5
201.01947	10.4
203.03516	12.6
205.01402	1.9
213.01918	2.3
217.01431	10.7
218.02126	5.8
219.02977	19.8
222.01675	2.3
226.48221	1.5
227.00093	1.7
229.01407	26.4
230.02077	2.4
231.02940	8.4
245.00912	11.6
246.01500	3.1
247.02483	62.1
248.02826	5.6
249.04073	5.3
257.00906	14.5
258.01535	5.6
259.02338	1.5
270.98822	2.2
273.00470	14.5
274.00879	2.2
275.02011	62.9
276.02271	5.1
283.99573	2.2
291.01392	4.8
298.98404	3.0
299.98901	3.9
300.99924	100.0
302.00339	10.4
333.02545	2.0
362.84589	1.4
393.04443	6.9
435.05640	4.1
453.06750	15.1
454.07034	2.2
613.40082	1.6
633.07581	1.5
737.06158	2.4
755.07324	24.6
756.08063	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	755.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99426	0.5
71.89455	0.5
82.98697	0.5
85.02972	0.7
93.03450	0.5
95.01411	1.0
98.22279	5.3
117.03455	0.9
119.05055	1.5
123.00891	1.0
124.01689	0.6
125.02469	3.1
129.03383	0.8
131.05054	0.7
133.02983	3.0
135.04503	0.7
141.03458	0.7
145.02953	3.8
147.04570	3.0
149.02380	1.0
157.02942	1.4
159.04504	1.4
161.02489	3.2
163.03958	2.7
169.01431	2.1
169.93359	0.6
173.02469	3.9
175.02716	0.6
175.04002	3.6
177.01891	1.8
185.02393	4.4
189.01894	3.9
190.02715	2.0
191.03548	4.8
195.53180	0.6
201.01974	5.1
202.02473	1.3
203.03511	6.1
205.01422	1.1
213.01837	0.9
214.02670	0.7
216.00594	2.3
217.01483	7.1
218.01991	1.7
219.02931	3.0
226.99925	1.3
228.00667	0.9
229.01411	10.7
230.01863	1.0
231.03038	4.1
233.00922	0.9
244.00146	2.7
245.00925	11.2
246.01546	1.6
247.02472	13.1
248.02806	1.9
249.04141	2.9
257.00928	11.0
258.01633	3.6
259.02292	1.0
270.98840	0.9
271.99380	0.7
273.00433	29.9
274.00964	5.1
275.01990	51.5
276.02365	4.2
283.99640	2.9
291.01511	6.4
299.99237	2.8
300.99908	100.0
302.00262	10.5
302.89999	0.6
319.00967	2.1
393.04684	2.0
417.04742	0.7
444.15408	0.6
481.06296	7.8
603.10101	1.2
755.07227	8.6
756.07983	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	755.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60710	0.4
67.19977	0.4
71.01398	0.5
71.89448	0.5
85.02950	0.5
97.79661	0.4
98.21739	1.1
117.03444	1.0
119.05032	1.0
121.02950	0.5
123.00892	1.5
125.02438	1.5
129.03462	0.8
131.05034	0.4
133.02948	1.5
135.04535	0.7
145.02959	4.2
147.04504	2.4
149.02431	1.2
153.67503	0.4
157.02950	1.6
159.00922	0.5
159.04495	1.0
161.02489	2.4
163.04021	2.7
169.01399	0.9
173.02444	3.7
175.04018	3.1
177.01903	1.7
178.51433	0.4
185.02370	3.2
187.04033	0.6
189.01971	4.4
190.02629	1.4
191.03528	3.7
201.01971	5.9
202.02455	0.5
202.20508	0.4
203.03528	5.4
204.03851	0.4
205.01482	0.7
213.01958	1.4
214.02728	0.6
216.00615	1.8
217.01421	6.4
218.01855	0.6
219.02995	3.2
226.99863	0.7
228.00575	1.0
229.01416	11.7
230.01939	1.1
231.02950	3.1
244.00076	2.9
245.00916	12.0
246.01418	1.5
247.02490	14.0
248.02847	1.7
249.04063	2.9
257.00909	10.0
258.01593	4.6
259.02356	0.7
270.98846	0.8
271.99298	1.0
273.00439	30.4
274.00839	3.5
275.01984	47.6
276.02332	4.4
283.99588	2.1
289.03445	0.5
291.01495	5.6
292.01843	0.8
299.99133	2.7
300.99911	100.0
302.00278	9.6
319.00909	1.9
349.93106	0.5
393.04581	2.1
435.05560	0.6
451.09128	0.7
453.06796	0.6
481.06329	7.2
482.06747	0.9
603.09967	1.6
743.69391	0.4
755.07739	7.2
756.08630	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	755.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85540	1.9
55.15342	1.7
59.01374	3.7
62.53286	1.4
67.01881	5.1
69.03432	2.0
71.01382	5.5
73.82372	1.8
79.01902	1.9
79.98488	1.5
85.02954	6.7
87.00885	1.7
89.02473	3.0
92.37702	1.5
95.01396	28.8
97.02971	3.0
99.00920	1.7
101.02431	5.2
107.01376	7.9
108.02172	4.1
109.02962	3.5
113.02461	2.2
117.03477	4.3
123.00899	59.2
125.02465	42.7
129.03563	1.5
132.02151	2.0
133.02924	1.8
136.17824	1.9
139.00369	8.0
141.01935	3.1
143.01381	1.7
145.02997	7.8
147.04520	2.8
153.97348	1.5
157.02977	3.3
159.04509	2.0
160.01637	1.9
161.02402	7.5
162.03291	1.8
163.00346	6.6
163.04005	6.7
165.02020	2.2
166.98492	2.0
166.99890	28.1
168.00645	2.3
169.00006	2.4
169.01439	38.2
170.01770	2.4
170.19092	1.6
171.00871	3.8
172.01720	2.4
173.02454	8.0
174.03091	2.8
175.03990	3.8
176.01202	2.5
177.01924	3.6
185.02332	2.4
187.00412	3.5
189.01987	8.9
190.02731	2.6
191.03485	6.6
192.00491	1.9
199.00316	3.2
200.01161	4.8
201.01936	12.1
202.02498	1.9
203.03477	5.2
203.93376	1.7
214.99849	2.1
217.01453	11.2
217.34222	1.7
218.02077	1.9
219.02925	2.3
226.99860	4.8
229.01381	10.8
230.01863	2.0
231.02765	1.8
235.02376	2.3
242.99168	2.9
245.00919	9.7
246.01520	3.5
247.02510	11.3
257.00882	2.6
270.98819	7.8
271.99707	4.5
273.00455	12.2
274.00903	2.6
275.02048	8.1
298.98453	8.5
299.99081	3.6
300.99963	31.4
302.00146	3.2
442.14694	2.0
553.06067	2.2
593.28174	9.6
635.09613	2.1
679.09766	8.8
695.08862	6.1
696.08942	3.7
705.07404	100.0
706.07678	28.2
723.08618	9.9
755.10352	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	755.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
61.98835	100.0
65.53976	3.0
71.01402	4.8
80.91684	6.1
80.96498	5.6
82.95417	26.3
84.05088	3.2
96.96008	9.2
102.12570	3.7
120.52094	3.4
122.85613	3.5
181.39029	3.2
209.11838	64.9
210.12138	7.5
211.13347	3.3
227.12929	12.4
253.09290	10.0
270.21405	3.2
273.17068	46.2
306.28323	3.5
309.20734	5.1
513.24518	3.5
755.35284	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68439	2.7
61.98833	9.7
65.98011	2.3
70.60300	7.4
71.01375	4.2
78.95922	5.1
79.63863	2.4
83.05026	3.5
89.02466	3.3
101.02448	3.2
163.11267	5.4
165.12863	4.5
171.10233	4.0
197.11794	8.5
209.11853	100.0
210.12117	7.8
211.13339	7.4
227.12938	14.2
235.08185	4.0
253.09314	15.2
291.19641	32.8
292.20117	4.5
293.21237	4.1
309.20724	42.2
310.20932	4.0
355.47415	3.1
477.12839	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	755.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.4
61.27936	1.7
70.76729	3.3
71.01391	4.0
72.77243	1.7
75.17838	1.7
77.76774	1.5
81.03475	2.0
83.05051	3.3
85.02940	2.4
89.02470	2.1
101.02441	5.6
105.34431	1.7
111.08131	1.8
136.58026	1.8
163.11319	3.9
165.12875	5.0
171.10179	2.2
194.07402	1.8
197.11780	3.6
209.11859	100.0
210.12248	5.2
211.13405	2.2
227.12920	19.9
235.08258	4.0
253.09325	13.4
273.18619	1.9
291.19751	26.9
292.19949	2.9
309.20755	62.6
310.21088	8.5
473.33588	1.8
545.29309	4.0
719.39661	2.0
755.39136	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
60.29874	1.1
61.98833	3.1
70.60271	2.2
70.60602	1.4
71.01379	4.1
78.95918	2.4
80.02671	1.7
81.03468	1.8
83.05028	4.9
85.02947	1.3
89.02484	2.7
93.52942	1.1
98.21889	1.2
99.75518	1.0
101.02451	3.1
102.41138	1.5
111.08170	1.6
113.02434	2.2
119.42358	1.3
163.11284	3.7
165.12877	5.3
171.10275	3.9
181.12376	1.2
191.10893	1.6
197.11804	5.5
199.13361	2.1
209.11847	100.0
210.12230	7.5
211.13274	2.3
227.12917	13.6
235.08228	1.6
247.20694	2.7
253.09244	10.0
273.18469	2.1
291.19647	37.3
292.20053	5.0
307.19022	1.2
309.20749	43.8
310.21030	6.2
336.93866	1.3
347.22314	2.3
427.72281	1.2
440.51337	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	756.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.0
59.01389	17.4
61.36453	2.0
61.98822	9.0
68.99572	3.9
71.01377	13.1
75.24379	2.3
82.95425	8.7
83.01368	3.3
87.00906	4.9
89.02478	2.7
96.02662	2.5
98.22155	12.3
99.00954	3.4
101.02451	9.4
103.01574	2.6
112.98772	7.2
113.02455	4.5
119.05048	19.5
120.05299	2.6
125.09740	18.1
125.59238	2.0
148.07718	2.1
149.45171	2.0
171.10266	2.9
171.98660	2.4
183.13879	2.9
184.14247	3.1
185.11819	3.3
197.11891	6.4
198.12326	2.0
199.13428	3.2
202.15955	2.6
202.61745	2.1
209.11864	27.6
210.12230	8.7
211.13460	5.0
212.14412	6.4
227.12923	10.2
228.65219	2.2
229.14470	2.9
230.15523	51.1
231.15887	4.0
235.08168	3.9
253.09293	8.8
291.19861	3.5
292.20419	3.1
296.06241	2.7
308.49020	2.4
309.20892	10.9
310.21030	5.9
311.22281	14.6
338.24969	8.4
356.25986	12.5
364.23151	3.3
382.23923	21.6
383.24124	5.1
400.24997	11.6
418.26169	6.5
432.55655	2.6
463.21289	2.7
517.71851	2.9
520.30713	28.7
521.31146	7.2
538.31866	15.5
539.32397	3.2
756.39966	100.0
757.40247	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23775	2.4
54.30323	2.5
57.03447	4.8
59.01388	16.9
61.98830	5.3
64.79636	3.5
70.76987	3.7
71.01402	19.1
80.34407	2.4
80.91685	3.7
82.95412	12.6
85.02968	4.2
87.00883	4.1
88.98797	3.6
89.02460	5.4
93.03448	3.4
94.88714	2.8
99.00878	6.9
101.02428	9.0
112.98809	5.9
113.02455	5.7
119.05048	20.4
125.02451	3.2
125.09737	15.1
144.56352	2.8
150.91484	3.0
171.10294	4.8
183.13879	7.6
197.11856	10.6
198.12155	4.8
202.16095	3.1
209.11853	35.6
210.12271	13.9
211.13351	8.8
212.14211	3.0
227.12875	14.0
228.13252	4.0
230.15501	49.3
231.15770	4.7
235.08228	5.0
253.09273	8.6
265.21683	3.2
291.19803	9.9
292.20029	4.8
293.21143	3.5
307.19269	3.6
309.20737	23.0
310.21002	15.2
311.22253	19.1
338.24942	8.1
356.26001	11.9
373.42215	2.7
382.23917	25.2
383.24265	4.3
400.24942	11.0
418.26019	5.3
520.30865	28.9
521.30927	7.3
538.31891	19.2
539.32220	5.3
738.41559	3.1
756.39905	100.0
757.39758	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
57.11928	0.6
61.38419	0.6
66.91934	0.6
69.74817	3.4
108.25593	0.6
109.03010	0.8
111.65221	0.6
119.05036	0.9
123.00942	0.7
125.02473	7.1
135.04579	0.7
138.58908	0.6
145.02931	1.2
145.25592	0.5
147.04543	1.9
161.02454	1.5
163.04030	1.5
169.01463	4.6
173.02463	3.5
175.03917	1.9
177.01967	1.4
189.01918	1.8
190.02715	2.4
191.03519	11.5
201.01997	1.4
203.03543	1.5
217.01454	4.9
218.01962	0.9
219.02950	5.3
229.01279	1.1
245.00906	6.0
246.01547	1.0
247.02487	100.0
248.02827	10.1
257.00601	0.9
264.02249	0.7
273.00470	11.3
275.01706	0.7
289.07269	1.0
291.01505	40.3
292.01807	2.9
300.99936	0.9
348.94446	0.6
359.46866	0.6
417.04565	3.4
435.05750	1.2
447.01025	0.7
453.06772	0.7
491.79758	0.6
605.07776	4.7
606.08191	0.9
667.58972	0.6
723.37292	0.8
757.08807	11.7
758.09540	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	757.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91947	0.5
70.01946	1.6
117.03445	0.8
119.05022	1.3
119.35239	0.4
123.00940	0.6
125.02444	4.9
131.05016	0.6
135.04547	0.5
145.02937	2.1
147.04552	2.1
159.04512	0.5
161.02467	1.4
163.04083	2.6
169.01445	4.1
173.02423	2.7
174.03151	0.5
175.03999	2.5
177.01938	0.8
189.01952	1.9
190.02725	2.3
191.03508	10.8
192.03888	0.9
201.01941	1.3
203.03496	1.5
205.01431	0.6
217.01413	5.4
218.01846	0.7
219.03008	6.2
220.03334	0.6
221.04385	0.4
229.01433	1.4
245.00928	5.4
246.01512	0.6
247.02483	100.0
248.02815	8.4
263.01968	0.6
273.00452	11.8
274.00717	1.2
275.01944	0.9
291.01495	35.7
292.01886	2.9
300.99960	0.9
417.04599	3.8
435.05783	1.2
587.06738	0.7
605.07660	3.1
606.07971	0.6
757.08929	11.5
758.09155	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	2.0
69.03448	1.5
71.01385	3.7
72.89314	1.3
75.39182	1.1
79.37463	1.4
81.03452	2.8
83.01393	1.8
85.02971	1.4
87.00894	1.5
88.88374	1.2
92.94807	1.1
95.01402	8.1
96.96008	1.6
97.02951	3.0
98.21821	4.9
98.22552	4.4
107.01400	13.2
109.02964	1.4
111.00903	3.9
112.01002	1.2
115.85255	1.4
121.20100	1.3
123.00902	23.2
124.01708	10.1
125.02460	96.0
126.02781	3.0
127.00397	1.9
135.04518	1.2
136.98897	2.3
139.00418	8.4
139.04001	1.8
140.01172	6.2
141.01965	1.4
145.02907	1.5
151.00400	5.3
154.99727	1.4
158.97282	1.3
161.02464	2.4
163.04056	1.9
166.99821	6.3
168.00658	11.0
169.01443	100.0
170.01834	4.5
175.04115	2.0
177.02003	1.5
183.03014	2.8
184.27580	1.2
191.03513	2.2
203.03632	2.0
211.02519	2.2
217.01479	1.4
219.02943	1.7
229.01317	1.5
237.04141	1.5
245.00885	2.0
247.02528	5.2
261.00381	2.7
273.00436	3.1
275.02078	2.7
295.04544	2.6
297.06412	2.7
299.99094	1.3
300.99973	4.5
313.05853	4.9
435.09488	2.5
449.07440	1.9
453.10477	4.3
465.06412	1.5
587.10461	18.5
588.10852	3.2
605.11542	25.0
606.11633	5.5
617.07666	4.7
618.08624	1.5
757.12640	73.2
758.12988	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43681	1.0
62.70733	1.1
66.62222	1.0
67.01904	1.9
68.67542	0.9
69.03468	3.4
69.29921	0.9
71.01382	2.2
72.99299	1.2
79.01919	2.2
85.02969	1.2
87.00890	2.6
95.01393	5.9
96.96028	2.3
97.02978	2.8
98.22160	10.3
105.73255	1.1
107.01395	13.9
109.02975	1.2
111.00900	5.6
114.04737	1.1
121.02998	1.4
123.00903	25.9
124.01709	7.7
125.02464	98.3
126.02834	3.3
127.00420	1.0
133.02953	1.4
136.98846	3.5
139.00381	9.2
139.04039	2.9
139.09995	1.0
140.01193	7.4
141.01878	1.7
145.02974	1.5
151.00421	3.0
151.04044	1.5
159.04491	1.2
161.02496	1.9
163.03992	1.6
166.99899	7.1
168.00661	12.8
169.01443	100.0
170.01831	3.7
179.03476	1.5
181.01514	1.9
181.12202	1.1
183.02974	1.2
191.03546	1.8
203.03528	2.0
217.01561	1.6
219.03009	1.4
229.31720	1.4
245.00993	3.0
247.02496	8.1
248.03333	1.3
249.04054	1.3
273.00421	7.4
275.01923	2.2
276.02390	1.5
291.01541	2.8
295.04630	3.5
297.06351	1.4
300.99969	6.1
302.00232	1.4
313.05646	5.3
340.87091	1.2
435.09491	3.7
453.10596	8.0
454.10657	1.6
483.08063	1.9
582.72638	1.1
587.10559	18.3
588.10901	4.5
605.11511	41.5
606.12006	8.7
757.12628	56.8
758.13080	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	757.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03452	8.2
59.01388	4.9
68.73700	0.4
71.01022	0.8
71.01383	6.9
71.26517	0.8
72.99308	1.5
73.75738	0.5
75.00880	1.7
83.01389	2.1
84.02197	1.5
85.02959	74.5
86.03294	2.7
87.00887	1.0
89.02443	2.5
101.02448	0.8
103.00391	1.5
111.00916	3.3
115.00364	0.9
129.01949	4.4
133.01407	3.5
134.03766	0.5
135.04544	3.8
147.02995	6.8
179.03484	2.3
191.02008	22.2
192.02328	1.0
201.01997	0.5
205.03549	2.0
209.03052	100.0
210.03406	3.9
223.04630	13.9
224.05002	1.0
229.01285	0.6
247.02499	1.3
275.01981	2.5
300.99854	2.4
353.05133	0.9
371.06198	10.0
372.06757	1.1
385.07928	2.5
742.26959	0.5
757.09265	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	757.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21276	4.6
59.01377	9.5
61.98842	79.8
65.26635	4.7
69.15875	40.9
71.01387	19.8
80.91701	8.1
82.95432	38.5
83.05068	6.7
84.95133	6.5
98.21977	16.8
99.00962	8.8
101.02428	7.1
107.59441	4.9
109.06604	9.2
113.02417	6.1
127.60748	5.9
163.11259	11.9
171.10309	8.8
181.12338	14.2
199.13480	12.2
207.10251	31.1
209.11880	100.0
210.12274	6.8
225.11308	59.3
227.12929	20.3
235.08113	8.4
243.12405	12.6
253.09302	8.8
461.20126	14.1
479.21661	11.4
535.92572	6.5
545.79614	6.8
671.33630	8.3
689.33813	24.8
721.37482	7.5
757.33270	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	757.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81718	7.2
59.01374	15.7
61.98841	55.2
70.59492	22.7
71.01404	9.5
72.08091	7.9
76.24725	7.4
82.95454	13.8
87.00918	10.6
94.15154	7.2
96.96029	33.2
98.22159	9.9
98.95602	15.7
116.92849	9.9
157.08647	9.0
169.12433	9.0
171.10295	16.1
183.13881	14.1
197.11703	10.2
209.11829	73.2
210.12190	22.2
211.13477	100.0
227.12988	8.4
253.09293	25.0
291.19714	11.4
292.20001	12.4
309.20712	24.5
310.21326	10.5
311.21268	13.5
327.21790	20.8
447.22443	13.3
539.94336	8.0
594.91797	9.4
758.39313	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48351	10.3
55.95860	11.1
58.85216	10.9
60.10597	12.1
60.31832	11.4
61.98849	98.8
70.01746	21.8
70.02138	25.1
82.07365	13.1
85.51586	10.9
112.98840	14.1
146.12599	11.6
201.47246	13.9
232.76613	12.0
467.31781	21.3
703.40643	100.0
704.40741	26.9
757.38684	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11949	2.5
59.01374	8.5
59.55875	2.4
61.98829	8.4
64.40103	2.6
71.01390	100.0
78.95896	5.9
84.62080	2.4
89.02473	2.7
101.02464	4.4
109.06625	5.2
113.02439	2.6
160.93294	2.4
171.10292	71.3
172.10585	3.1
199.09816	8.9
201.11343	9.3
207.10313	9.4
210.73586	2.8
225.11378	8.1
235.08235	4.8
253.09241	6.1
277.21765	78.4
278.22021	12.3
315.37973	2.8
757.43903	13.3
758.44220	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	759.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09129	0.4
63.81812	0.4
63.90310	0.4
65.00330	1.7
69.04236	2.1
69.04666	2.1
70.47630	0.4
71.58720	0.4
81.03448	0.5
83.01375	1.2
91.01910	1.8
93.03480	0.9
95.01393	0.7
97.02932	0.9
98.22613	0.8
105.03496	0.5
107.01395	1.4
109.02965	2.2
117.03492	1.0
119.01426	2.2
119.05029	0.7
121.02940	1.4
123.00878	0.8
123.04533	1.8
125.02463	5.9
126.02851	0.5
127.71996	0.4
133.02959	1.9
135.04520	1.3
137.02438	1.5
145.02991	2.3
147.00897	8.1
147.01962	0.8
147.04543	1.9
149.02419	2.4
150.03146	0.5
151.00377	2.9
151.04021	1.9
157.02921	0.9
159.04541	1.8
161.02472	9.3
161.06099	0.8
162.02898	0.4
163.00403	4.4
163.04028	3.7
164.01091	0.5
165.01945	3.0
169.01442	4.0
173.02397	2.3
175.00360	6.1
175.04010	4.7
176.01112	0.5
177.01944	3.9
181.01514	0.6
185.02470	0.8
185.06041	0.9
187.04022	1.5
189.01958	4.8
190.02573	0.8
191.03517	5.3
193.01390	0.6
201.01947	2.6
202.99866	24.9
203.03545	2.2
203.07202	0.6
204.00258	1.0
205.01405	2.7
205.05043	1.1
207.03043	0.6
209.06184	0.7
211.03967	0.7
217.01448	3.5
218.01866	0.5
219.03050	2.8
227.03505	0.8
229.01433	17.4
229.05072	1.3
230.01857	1.7
231.02948	1.2
233.00916	3.7
235.02582	0.6
243.02946	1.2
245.00914	5.9
245.08160	0.5
246.98848	100.0
247.02446	6.9
247.99208	6.2
248.02634	0.9
251.03554	0.6
253.05118	1.0
261.00403	23.4
262.00708	1.9
269.04510	0.7
271.06125	0.9
273.00409	11.8
274.00800	0.9
285.03964	0.8
288.99948	4.2
289.07175	2.1
291.01532	3.7
293.04834	0.6
297.03897	2.5
303.05237	0.6
310.04797	1.0
311.05609	0.8
313.03406	0.7
315.05133	9.0
316.05511	1.4
316.99490	1.0
329.06732	0.8
333.02405	0.4
333.06210	7.3
334.06339	0.6
359.07855	3.2
365.03156	0.7
367.04660	0.5
373.05740	0.6
375.70554	0.5
392.79105	0.5
473.97641	0.5
485.07230	1.7
501.08310	2.7
519.09302	4.9
520.09863	1.1
545.07257	1.7
563.08051	2.9
564.08398	0.6
583.03094	0.5
614.83820	0.5
697.08307	0.9
759.08252	2.8
760.09241	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	759.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15211	0.5
65.00333	1.8
65.94505	0.5
67.77764	0.6
81.24980	0.5
91.01883	1.5
93.03458	1.0
97.02962	1.0
105.03486	1.3
107.01411	1.9
109.02982	3.3
117.03507	1.0
119.01392	2.3
119.05016	0.6
120.96969	0.6
121.02985	1.7
123.00879	1.6
123.04539	2.2
125.02460	6.7
126.02792	1.3
133.02969	2.7
135.04521	1.6
137.02463	1.9
139.04066	0.9
145.02963	2.5
147.00909	8.0
147.04594	1.5
149.02483	2.6
151.00378	3.0
151.04053	1.9
159.04434	1.0
161.02469	10.2
162.02914	0.7
163.00407	4.0
163.04012	3.4
165.01961	3.6
169.01434	6.6
170.01833	1.0
171.83044	0.5
171.88995	0.6
173.02420	2.3
175.00406	4.7
175.04033	6.1
176.01172	0.8
177.01944	4.6
181.01451	1.3
185.02498	1.5
185.06116	0.8
187.04095	1.4
189.01949	4.0
190.02684	0.8
190.99893	0.9
191.03549	5.2
201.01945	3.2
201.05643	0.9
202.97977	1.2
202.99873	23.6
203.03519	1.9
204.00238	1.8
205.01434	1.8
205.05142	1.2
207.03021	0.7
217.01476	2.7
217.03351	0.7
218.02075	0.6
219.03027	3.3
229.01440	16.4
229.05069	2.0
230.01884	1.3
231.02953	0.7
233.00961	3.5
243.02995	1.2
245.00946	5.7
246.98854	100.0
247.02422	8.0
247.99190	6.5
253.05066	1.0
253.07678	0.7
261.00400	23.4
262.00739	1.8
271.02579	0.7
273.00439	11.6
274.00864	1.2
283.02368	0.6
288.99884	5.0
289.07196	2.2
291.01459	3.7
297.04083	2.4
309.04120	0.6
310.04578	1.1
311.05643	1.0
313.03665	0.7
315.05139	10.4
316.05386	1.4
316.99442	0.8
327.05005	1.1
329.06848	1.3
332.07455	0.8
333.06107	5.8
359.07773	1.6
365.02908	0.7
485.07150	1.6
501.08240	2.9
519.09290	5.4
520.09320	1.1
527.06201	0.7
545.07281	1.9
563.08630	3.5
607.12781	0.9
671.09998	1.2
677.25031	0.6
759.12177	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	759.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
63.02401	0.5
65.00325	2.9
65.03925	0.6
71.26427	0.7
75.02386	0.4
78.58150	0.5
80.18058	0.5
83.01382	1.8
89.03964	0.6
91.01892	2.4
93.03479	1.2
94.49104	0.5
95.01382	0.7
95.05044	0.6
97.02950	1.5
105.03468	2.3
107.01402	2.1
109.02962	5.4
117.03457	1.8
119.01398	2.5
119.05092	1.1
121.02973	3.4
122.03775	0.5
123.00872	1.6
123.04545	4.2
123.84000	0.5
125.02457	7.8
131.05090	0.6
132.02145	0.7
133.02974	5.8
135.00888	1.2
135.04552	3.7
137.02469	3.3
139.03999	1.1
145.02972	5.7
147.00885	7.3
147.04535	4.2
149.02444	4.4
150.03178	0.5
151.00360	7.0
151.04015	3.1
158.03729	0.7
159.04512	3.1
160.01674	0.6
161.02451	20.9
161.06061	1.0
162.02930	1.7
163.00374	7.5
163.04018	7.6
164.01176	1.4
165.01955	6.0
169.01430	4.8
171.92395	0.5
173.02444	5.1
174.03041	0.5
175.00366	5.1
175.03999	10.3
176.01077	1.8
176.04405	0.5
177.01924	6.7
181.01396	1.4
183.04572	0.9
185.02444	2.1
185.06055	1.2
187.04065	2.6
188.01169	0.9
189.01936	10.4
190.02596	1.6
190.99818	0.9
191.03531	7.8
193.01472	1.4
195.02899	1.0
199.04036	0.6
201.01984	4.3
201.05586	1.1
202.02513	0.5
202.99873	26.9
203.03464	4.2
203.07237	1.4
204.00316	2.0
204.03822	0.6
205.01407	4.6
205.05139	1.6
206.99422	1.1
207.02942	1.4
211.03958	0.9
215.03516	1.0
217.01425	6.2
218.02046	0.8
219.02972	5.3
225.05522	0.5
227.03571	0.7
228.00713	0.8
229.01434	23.6
229.04759	2.4
230.01849	2.0
231.03004	1.9
232.00182	0.6
233.00919	9.3
237.05573	0.8
243.02982	2.1
244.00046	0.8
245.00920	11.8
245.04547	0.6
245.08261	0.9
246.01256	0.8
246.98851	100.0
247.02478	13.2
247.06000	1.6
247.99167	7.2
248.02884	0.6
251.03482	0.7
253.05019	1.4
255.03012	0.6
259.99628	1.7
261.00409	63.4
262.00748	4.9
269.04636	1.1
271.02539	1.5
271.05777	0.8
273.00430	24.8
274.00867	2.7
275.01483	0.8
276.99939	1.7
281.04477	0.8
285.03802	0.7
288.99902	4.0
289.07233	2.1
291.01453	7.6
293.04761	0.5
295.02310	0.6
297.04031	3.7
298.98480	0.6
309.04065	1.0
310.04681	1.4
311.02142	1.2
311.05612	1.5
313.03516	1.1
315.05133	14.2
316.05533	1.6
316.99353	7.2
317.99738	0.9
321.04004	0.6
327.04980	3.1
328.05548	0.7
329.06717	1.3
333.06256	11.4
341.06775	1.1
343.04419	0.7
345.06302	2.0
346.63409	0.5
349.03842	0.7
354.64404	0.6
359.07791	6.3
360.08160	0.8
365.02908	0.8
367.04636	1.3
393.02209	0.7
399.07306	1.2
402.21484	0.5
411.03619	0.5
467.05865	0.9
485.07159	1.3
501.08313	5.2
502.08493	1.2
519.09283	10.1
520.09705	2.2
527.06061	1.6
545.07391	3.5
546.07959	0.6
563.08374	3.9
671.10602	0.9
697.08289	1.5
741.07227	0.8
759.08539	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	759.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.3
71.00549	8.0
74.02481	26.4
78.61675	3.1
83.01389	6.7
93.03451	4.9
95.01401	11.2
96.96039	4.6
97.02972	5.6
97.59129	3.2
98.02479	7.4
107.05010	4.1
109.02962	18.5
109.92074	3.5
116.03539	12.0
121.00761	2.8
121.02930	7.9
123.00911	21.9
123.04508	6.6
124.01675	10.1
125.02462	100.0
125.99899	3.2
126.02898	3.8
131.05061	4.4
132.04567	9.7
133.02988	5.7
137.02448	30.1
137.21057	3.1
139.04021	8.2
140.01154	3.8
145.02942	8.2
146.03790	4.1
147.00868	12.6
147.04617	4.4
149.02449	14.3
151.00362	9.2
151.03998	15.4
159.04442	7.0
161.02435	15.8
161.06082	4.7
163.00339	26.8
163.04077	6.3
164.01161	16.2
165.01933	32.3
166.02621	6.3
166.99889	9.0
167.03529	13.7
168.00688	5.2
169.01450	41.1
171.04483	3.9
173.02487	4.9
175.00414	34.9
175.03975	24.3
176.01067	10.1
177.01952	59.0
179.03506	4.5
185.02415	8.3
185.06117	3.1
187.04024	16.0
189.01987	8.3
189.05469	4.0
190.02655	6.2
191.03461	13.1
193.01370	4.0
199.04022	14.0
201.01857	9.1
203.03494	9.0
203.07062	5.2
205.05034	8.2
210.48390	3.3
211.04210	4.5
213.01968	9.3
214.02611	3.9
215.03487	18.0
217.01381	5.3
217.05064	6.1
218.02107	4.0
219.03029	5.5
227.03508	13.1
228.04099	5.5
229.01416	13.9
229.04939	9.5
231.03043	12.6
233.04503	10.3
235.06143	6.0
239.03564	5.9
241.01389	5.6
243.03018	36.4
244.03329	5.0
245.00861	3.9
245.04564	4.3
247.02539	7.8
253.01404	5.5
253.05119	5.6
255.02977	23.3
256.03641	7.5
257.04587	8.4
259.02499	24.0
261.04205	10.4
261.08829	21.0
269.04507	8.7
271.02563	5.5
271.06094	5.1
273.04007	10.1
275.01984	10.8
281.04260	3.6
283.02423	6.2
284.02887	4.1
285.00433	77.9
285.03702	7.6
286.00656	7.2
287.02051	6.9
287.05417	5.2
289.03931	8.5
289.07196	15.3
297.04037	6.3
299.01978	11.9
301.00232	6.3
301.03540	19.4
303.05020	5.2
305.06723	5.2
315.01416	8.9
325.00058	5.3
325.03607	4.2
335.05188	4.6
345.02423	7.6
363.05148	4.3
379.04572	7.6
381.06180	29.7
399.06665	3.4
407.03824	14.3
407.08575	18.9
423.07358	12.4
425.05283	28.8
435.03220	3.9
439.06546	5.0
451.03018	49.8
452.03207	9.7
453.10376	50.3
454.10779	9.5
571.09021	5.3
589.09216	4.6
615.07892	4.1
759.12292	27.8
760.12079	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	759.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.5
67.01889	1.1
70.02979	2.8
70.50439	0.9
71.01377	2.5
72.04544	1.4
74.02483	43.0
77.77159	0.7
81.03445	1.2
83.01413	0.9
84.04530	1.0
85.02952	1.2
95.01380	1.7
96.96026	6.0
98.02483	9.5
98.22535	3.0
102.45400	0.9
103.63364	0.8
107.01398	4.3
107.47798	0.9
109.02940	1.4
111.00887	3.0
113.02412	0.9
116.03552	19.9
123.00916	10.9
123.04554	0.9
124.01680	9.4
125.02464	29.7
126.02772	1.5
127.00280	0.9
128.03548	2.6
132.04581	13.3
136.98801	1.2
137.02434	2.3
139.00375	3.7
139.04001	6.4
140.01183	4.2
144.04572	3.4
147.00905	1.0
151.00340	5.2
159.04451	1.2
161.02399	1.1
163.03938	1.1
164.01080	0.9
165.01892	2.1
166.99878	0.9
167.03386	1.2
168.00694	5.3
169.01443	36.0
170.01808	1.6
175.00383	1.6
175.04033	1.3
177.01978	3.0
179.03546	1.1
180.17201	0.9
183.03001	3.8
191.03452	1.1
193.01402	1.0
201.06715	6.3
211.02451	0.9
217.05142	1.0
219.07768	1.7
219.12340	1.0
227.03500	1.0
229.01421	1.1
233.04506	1.0
243.02989	2.0
247.02205	0.9
247.96201	0.9
255.03004	1.2
259.02460	1.3
261.08820	36.2
262.09128	3.0
285.00394	3.6
285.03433	1.3
289.03790	2.7
289.07007	1.2
297.06122	1.1
297.68768	0.9
301.03470	0.9
313.05713	8.1
332.61603	0.9
381.05753	1.0
393.62518	1.0
407.08261	1.4
423.07416	1.0
425.05219	1.5
448.12186	1.0
451.03244	1.6
453.10413	100.0
454.10815	13.7
654.45685	0.9
759.11639	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	759.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20929	1.3
69.10989	11.0
71.01356	1.2
83.36641	1.4
96.96006	4.0
125.02496	4.4
161.02460	2.7
169.01474	1.5
171.04544	1.3
175.04019	1.2
229.01471	2.0
245.00992	1.4
246.98871	4.9
261.00125	1.3
265.09378	1.2
269.00916	5.1
271.02435	1.3
295.02484	3.3
297.00479	5.1
299.99146	100.0
300.99533	10.1
309.03958	1.4
315.01559	10.3
315.04901	2.1
335.60977	1.2
359.00439	12.7
359.07553	1.3
360.01144	1.5
419.47076	1.4
422.87680	1.5
643.24115	2.5
697.25037	1.7
741.23547	7.8
742.24683	1.7
759.25043	35.2
760.25281	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	759.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
61.98831	7.1
68.18433	2.1
69.15701	2.2
71.27589	2.3
79.40421	2.2
83.05031	3.1
94.87608	2.4
101.02457	2.7
113.02451	2.3
116.92903	3.4
148.02187	2.2
171.10306	4.7
201.11357	23.9
209.11845	100.0
210.12189	11.1
222.10735	2.1
225.11285	4.0
227.12921	20.7
228.13286	3.5
228.40617	2.3
235.08208	5.2
253.09508	10.5
275.01932	3.3
300.99857	3.9
437.20465	3.9
445.20782	13.0
446.21021	2.6
611.30292	3.1
613.89417	2.5
629.31952	4.2
637.32245	6.5
655.33392	3.7
673.34924	3.5
759.35590	16.0
760.36084	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	759.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28315	2.6
60.63459	3.1
61.98816	3.6
69.21119	24.5
78.95908	100.0
96.96963	7.7
99.70434	2.8
152.99600	56.4
173.02222	2.8
178.08116	3.4
209.11868	14.4
227.12801	5.3
241.03502	2.7
246.98938	3.7
249.22234	4.3
277.21744	25.8
278.22180	4.7
293.21225	35.0
311.22299	29.1
447.21634	37.6
448.21872	4.8
465.22760	11.2
759.44305	58.1
760.45544	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	759.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60834	31.2
62.53520	33.3
65.15062	30.2
70.50888	100.0
73.89548	31.4
78.92050	33.2
122.38511	31.5
123.09158	31.5
129.07776	34.0
133.90787	34.2
174.96771	30.4
227.12965	40.9
237.95369	32.9
277.21622	67.2
297.61588	34.2
434.92712	37.5
575.51935	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13602	0.5
63.96235	1.4
64.97024	3.3
72.00909	2.8
73.73447	0.6
75.68507	0.6
79.95742	13.7
80.96529	6.2
93.03477	2.7
95.97624	30.2
96.96011	1.4
99.64500	0.6
119.05040	6.2
121.02975	0.8
133.05347	0.7
134.05127	0.7
134.06140	11.8
135.06499	0.9
163.04044	10.7
164.04297	0.7
176.74561	0.6
180.06689	41.3
181.07004	3.2
191.71388	0.6
214.01628	0.7
217.24837	0.6
217.67728	0.6
218.18079	0.7
242.01337	1.1
260.02353	100.0
261.02658	8.3
262.02048	1.3
275.01950	0.8
418.14911	0.7
453.30151	0.6
473.82578	0.7
490.71805	0.6
491.61374	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	761.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	12.3
65.03965	0.9
68.57464	0.6
69.03445	1.1
71.28152	1.1
77.51081	0.8
81.03451	1.0
83.01403	2.5
85.02961	10.4
93.03461	2.6
95.01399	1.5
95.05048	0.8
95.85170	0.6
96.96021	3.5
97.02967	1.5
98.94476	0.7
105.03481	2.7
107.05048	1.4
109.02972	7.3
111.04543	1.6
117.03473	1.1
119.05006	0.8
121.02956	3.4
123.00873	3.5
123.04527	0.8
124.01672	1.7
125.02459	100.0
126.02807	4.2
131.05061	1.7
133.02963	4.0
134.03746	6.0
135.04526	0.7
137.02457	14.5
138.02815	0.7
139.04039	4.6
145.02975	2.0
147.00896	1.3
147.03008	2.2
147.04572	1.1
149.02425	5.5
149.06093	3.1
151.00395	1.0
151.04022	8.3
153.01942	0.9
159.04543	1.5
161.02461	19.1
162.03050	1.0
163.00395	5.4
163.04080	2.2
164.01146	2.6
165.01935	6.4
166.02557	0.8
167.03539	3.9
169.01453	14.8
173.06012	1.1
175.00366	2.6
175.04012	15.0
176.01120	1.7
176.04419	0.9
177.01950	70.5
177.05562	2.9
178.02362	4.1
179.03516	2.6
183.04610	1.0
187.04039	1.7
189.01962	2.3
190.02679	1.0
191.01981	6.8
191.03516	2.5
193.01483	3.4
193.05092	12.6
194.05347	1.1
199.03983	4.6
201.01952	2.3
201.05536	3.3
203.03496	2.9
205.01399	1.1
205.04916	0.9
211.04097	1.3
213.05499	0.9
214.02531	1.0
215.03540	3.0
217.01466	0.7
217.05052	9.2
219.02998	4.3
219.06654	2.4
221.04646	1.4
225.05673	1.0
227.03473	3.5
229.01450	4.1
229.05054	1.8
233.04539	1.0
241.05061	1.0
243.02988	17.2
243.06682	1.4
244.03532	1.8
245.04556	2.4
255.02997	12.9
256.03625	2.3
257.04565	3.1
261.04092	6.9
261.06989	1.2
269.04639	6.8
273.04050	2.0
282.01828	0.9
283.02490	6.7
285.04065	3.1
287.05624	11.4
288.02756	1.0
288.05954	1.3
297.03964	5.4
298.04761	1.4
299.05698	0.8
301.03540	5.5
303.05161	9.9
305.06677	20.7
306.07028	2.6
313.03580	1.7
315.05069	1.2
331.04675	1.7
337.07220	1.3
379.08301	1.3
387.05276	1.4
397.09540	1.0
405.06076	6.0
406.06625	1.0
423.07242	61.4
424.07504	10.5
439.06635	1.5
441.08319	5.5
447.07339	1.0
453.08191	1.9
457.07809	3.0
465.08267	4.3
466.08743	0.9
483.09222	5.9
484.09760	1.2
501.11829	0.8
575.08411	2.9
591.11523	5.3
592.11670	1.0
593.09790	1.7
609.12616	7.4
610.13007	1.9
635.09778	1.0
708.67322	0.9
761.13507	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	761.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02405	5.7
65.00328	7.3
83.01404	4.6
83.80892	1.1
88.53057	1.1
93.03474	3.8
107.01405	12.3
108.01793	1.5
121.02956	12.5
125.02448	1.7
127.92954	1.1
151.00391	40.6
152.00752	1.8
169.01553	3.5
178.99852	18.2
180.00310	2.0
198.03575	1.1
211.03954	2.0
227.03546	7.4
228.03622	1.6
229.05083	2.1
229.15843	1.3
245.04633	2.5
255.02991	11.8
256.03510	1.9
273.04111	4.0
284.03323	8.1
285.03995	13.4
301.03574	100.0
302.03848	8.5
326.62305	1.4
335.10999	1.2
459.09387	14.6
748.91302	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	761.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.85009	18.9
74.57058	17.2
82.08871	20.8
86.84648	19.0
98.21751	59.6
113.45014	20.2
155.89548	20.2
185.11826	24.4
194.33563	20.3
227.12950	25.6
228.74829	37.1
240.43941	22.1
277.21707	61.2
370.74850	22.6
460.55341	23.8
761.42755	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07462	0.6
70.81666	1.5
75.67038	0.7
76.84357	0.7
94.62675	0.7
96.96039	0.7
97.42294	0.7
117.03460	0.8
125.02435	0.7
145.02979	1.9
147.04510	1.0
157.02974	1.7
161.02443	1.1
163.04031	1.5
169.01439	1.6
171.00864	2.0
172.01604	0.9
173.02478	1.9
181.41063	0.6
185.02441	0.9
199.00423	2.5
200.01122	2.1
201.01956	2.8
216.00609	1.5
217.01279	1.3
226.99849	2.9
229.01382	5.8
230.02138	1.2
231.02992	2.2
242.99400	1.3
244.00133	1.8
245.00978	1.6
247.02507	2.6
257.01053	0.9
270.98874	2.5
271.02219	1.0
271.99716	0.9
273.00446	2.8
275.01971	1.1
298.98309	5.7
299.99142	100.0
300.99738	20.7
301.03214	1.0
302.00281	1.8
315.01495	85.6
316.01794	9.6
349.74957	0.8
417.04657	0.8
447.09351	3.0
745.03400	6.5
746.02960	1.3
763.03949	0.9
763.56604	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	763.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.5
59.01399	2.1
65.00318	2.2
68.99832	1.4
74.02478	10.1
79.01878	1.2
82.13685	1.1
83.01392	6.5
85.02992	1.4
91.20786	1.1
96.96040	5.3
97.02975	1.1
98.02506	1.3
105.03433	1.7
107.01337	2.9
109.02965	3.4
110.19066	1.0
116.03542	3.2
117.14671	1.1
121.02952	1.3
122.03751	1.5
123.00887	10.6
123.04533	30.4
125.02455	41.4
126.02820	1.9
132.04558	1.8
137.02405	1.6
139.00386	3.9
141.01956	1.5
149.02469	3.6
150.03255	4.2
151.00380	22.6
151.04018	97.8
151.15198	1.0
152.04356	5.0
153.01949	100.0
154.02275	3.6
161.02443	4.7
166.99655	1.1
169.01437	23.1
170.01874	1.0
177.01866	2.0
183.03024	1.6
192.28215	1.0
217.01314	1.3
219.12386	6.4
228.81004	1.1
229.00964	1.1
257.04489	4.7
261.08780	7.7
261.13458	4.8
275.05576	2.6
287.05719	7.0
303.05124	86.9
304.05481	7.7
305.06580	2.3
331.04483	1.4
362.56024	1.2
429.92099	1.2
457.07803	52.8
458.08255	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	763.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.9
60.99310	12.1
64.57355	1.6
71.01386	1.9
71.27335	2.4
79.34494	1.4
87.01426	1.4
88.14879	1.9
88.98816	60.2
96.96013	2.8
107.01422	2.0
123.00880	2.8
125.02467	22.7
139.00346	2.1
140.01166	3.3
151.00420	2.2
167.03590	1.7
168.00658	12.1
169.01447	26.0
180.76794	1.6
211.02492	53.8
212.02896	4.2
271.04620	100.0
272.04977	8.3
283.09711	3.5
311.09167	10.6
326.11731	9.3
331.06750	31.8
332.07202	3.3
341.13660	2.2
631.16840	1.7
673.21442	46.8
674.21881	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	763.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
60.99310	18.5
61.98827	1.6
71.26766	0.6
72.44981	0.5
86.13017	0.6
87.00871	0.8
88.98813	100.0
89.02441	1.3
89.99157	1.4
125.02413	0.6
127.20949	0.5
135.95383	0.6
171.10272	2.3
175.47050	0.6
209.11865	1.9
211.13428	1.8
384.81000	0.6
397.13458	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	763.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01386	18.2
67.01899	1.9
68.99847	1.6
70.71332	2.1
70.71676	2.7
71.01386	17.9
72.99306	4.9
73.02953	1.5
73.11146	1.3
74.96115	1.2
75.00889	6.9
83.01395	4.7
85.02962	13.2
86.03357	1.4
86.39792	1.2
89.02455	7.5
95.01373	7.4
97.03006	1.5
99.00906	6.1
111.00860	7.5
113.02465	10.4
139.00391	3.4
187.57948	1.4
354.49240	1.6
453.33737	3.1
455.35300	7.5
483.35156	2.0
537.35944	1.7
551.37787	3.9
552.37976	2.3
569.38513	2.8
581.47516	1.6
634.96588	1.4
639.40088	1.4
741.02234	1.6
763.42792	100.0
764.43158	38.4
779.45624	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	764.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.49903	6.8
69.50335	7.4
72.40477	2.0
91.58658	2.2
99.79568	2.3
133.72481	2.4
306.62231	2.4
326.64600	2.5
361.87250	2.9
724.79840	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	764.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
97.02921	9.0
99.00891	9.0
101.02435	6.5
116.49533	5.9
133.04985	6.0
146.63646	5.8
163.11333	10.0
181.12363	11.8
207.10287	53.2
208.10439	6.3
215.64561	5.9
225.11331	98.8
226.11612	9.5
243.12363	12.9
253.09064	6.7
277.21722	100.0
278.22052	12.5
461.20209	57.3
637.70520	6.5
721.41376	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	765.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07430	0.8
69.07833	2.8
78.46566	0.4
89.19123	0.4
95.01405	1.2
98.21788	0.8
110.41519	0.3
115.56948	0.3
116.51344	0.4
116.59558	0.4
123.00909	1.4
125.02443	1.6
129.03500	0.8
135.78448	0.4
139.22313	0.3
145.02954	0.8
147.04521	0.6
154.68929	0.3
157.02956	1.0
161.02509	0.7
163.04016	0.9
169.01407	1.6
171.00934	0.7
172.01614	0.7
173.02493	1.9
182.50014	0.3
185.02438	2.8
189.01898	0.5
200.01114	1.0
201.01921	3.5
202.02240	0.4
217.01434	0.6
217.23663	0.3
218.51762	0.4
226.99879	1.1
228.00562	0.8
229.01454	5.0
230.02014	0.6
231.02980	1.3
237.22083	0.4
245.01018	2.2
245.03230	0.5
247.02457	1.3
254.99138	0.4
257.00842	2.3
271.02530	1.1
273.00351	1.2
274.58969	0.4
275.02066	0.9
283.99698	2.7
298.98489	0.8
299.99191	3.9
300.99908	100.0
302.00269	11.4
316.02277	2.8
317.02719	0.7
337.38611	0.4
463.08978	4.5
464.09290	0.9
597.05115	1.0
732.89771	0.5
765.06195	2.2
766.05322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.0
67.01930	1.2
69.03450	1.2
69.65708	4.3
71.01384	2.4
73.95247	1.0
75.50816	0.9
79.01892	1.1
87.00877	1.2
95.01406	2.7
97.02946	2.3
98.21800	0.9
98.95675	0.9
101.02443	1.3
102.23443	0.8
107.01402	7.6
111.00890	2.1
113.02478	1.7
117.03432	1.1
123.00903	10.0
124.01694	1.7
125.02462	81.5
126.02820	3.3
136.98865	0.9
139.00359	2.9
140.01157	2.6
141.01929	0.8
145.02992	1.2
151.00418	2.0
158.78458	0.9
161.02448	1.1
166.99896	2.0
168.00681	5.5
169.01443	100.0
170.01765	4.1
177.01982	1.2
193.01486	1.8
201.01967	0.9
203.03473	1.1
208.54863	0.9
211.02580	6.9
229.01630	1.4
245.00903	2.1
247.02400	1.2
249.04099	2.0
271.04526	6.1
275.02036	2.0
291.10941	1.5
295.04538	1.0
298.98547	1.0
299.99158	1.2
300.99966	15.8
302.00320	3.0
313.05682	6.1
331.06866	1.2
357.14145	0.9
381.12137	1.0
383.09796	2.1
399.13303	1.5
401.10944	3.6
423.05966	1.2
425.10867	1.3
443.11963	1.7
461.13132	3.3
465.06589	1.0
483.07498	1.6
508.23895	1.1
509.50815	0.9
536.40527	0.8
553.11804	1.8
595.13129	4.7
613.14252	19.2
614.14777	2.6
644.28589	1.1
705.13428	3.6
721.63855	1.1
765.15308	61.4
766.15680	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	765.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	18.8
62.25322	0.6
70.85113	1.5
88.98812	100.0
89.02454	2.2
89.99155	0.8
94.94221	0.6
123.09687	0.6
138.68733	0.5
144.01208	0.6
234.83841	0.7
249.09216	0.7
310.49432	0.6
316.40811	0.6
330.64120	0.6
341.46063	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	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	18.2
61.98821	1.6
74.26826	0.5
88.00369	0.7
88.98812	100.0
89.02456	4.1
89.99144	0.7
93.93025	0.4
98.22169	3.6
99.46770	0.4
101.49135	0.4
112.36132	0.4
125.94730	0.5
211.85017	0.4
646.07764	0.4
714.60815	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	766.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54449	15.0
70.32232	12.4
71.26485	24.0
74.27246	13.5
75.52140	14.3
80.48372	15.4
169.04054	15.5
209.11888	67.5
227.12830	15.8
258.72485	14.9
270.12967	14.0
277.21698	100.0
328.51965	15.3
355.71643	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	766.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.6
71.01392	1.1
80.02743	0.9
81.03491	1.0
83.05018	2.8
90.54594	1.0
95.01446	1.0
96.92954	0.9
98.22639	2.0
101.02475	1.3
163.11304	1.8
165.12787	2.2
209.11852	100.0
210.12164	10.6
227.12903	12.2
235.08154	1.9
253.09317	8.4
277.21747	49.9
278.22153	5.8
417.17017	1.0
445.21017	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	766.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31734	23.9
62.07346	24.5
64.10896	23.7
66.06484	26.3
67.26043	22.3
67.95709	24.5
68.83759	20.0
68.85912	21.6
69.74895	56.9
69.75285	55.1
98.22536	32.4
209.11908	100.0
277.21710	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.111
Annotation	Quercetin 3-O-(2'',3''-digalloyl)-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.82555	0.6
56.12645	0.5
60.12049	0.6
63.02405	1.5
63.93956	0.5
65.00341	3.7
67.01896	0.6
69.03458	0.8
71.01391	5.5
81.03469	0.6
83.01411	2.5
85.02983	1.0
87.02946	0.6
93.03478	1.1
95.01419	1.6
96.96024	2.3
97.02917	1.2
101.02462	1.1
107.01401	15.0
109.02967	2.3
110.20222	0.5
111.00886	1.5
113.02473	1.6
115.37774	0.5
116.92898	0.5
121.02968	5.4
123.00891	8.9
123.04509	0.8
124.01703	1.3
125.02462	51.6
126.02808	2.1
127.00378	0.8
136.98842	1.3
137.02480	1.7
139.00386	4.3
139.04012	0.9
140.01204	2.6
141.01978	0.8
144.09596	0.5
149.02463	2.1
151.00383	25.9
151.03989	1.3
152.00691	1.1
153.01903	1.0
159.04608	0.7
161.02432	1.2
163.00359	1.9
163.03989	0.9
164.01112	1.0
165.01959	1.2
166.43674	0.5
166.99854	1.4
167.03517	1.7
168.00684	4.3
169.01445	67.5
170.01790	2.9
175.04053	0.6
178.99875	7.6
179.03528	1.3
181.01558	0.7
193.01434	4.1
203.03476	0.6
207.02995	0.7
211.02470	5.9
223.02531	1.3
227.03549	0.6
229.05164	0.8
236.62921	0.5
241.03557	1.2
243.02914	0.7
245.04546	1.2
253.03528	1.0
255.03056	2.1
256.03494	0.8
271.02478	2.7
273.04114	1.6
295.04712	1.8
296.05173	0.7
297.06155	2.2
299.01886	0.6
300.02853	5.3
301.03549	45.8
302.03879	4.6
313.05682	26.4
314.05981	1.7
450.80875	0.6
463.08673	1.2
465.06766	100.0
466.07080	15.8
615.09961	17.7
615.18872	0.3
616.10114	3.8
767.11151	4.9
768.11285	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	767.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	3.1
63.10524	1.9
65.00316	8.4
68.37305	1.7
71.27610	3.5
83.01398	4.6
107.01415	11.4
109.02978	2.7
121.02956	10.8
125.02471	7.6
149.02451	3.0
151.00395	41.7
165.56213	2.2
169.01454	5.5
178.99887	19.0
231.90002	1.8
233.08260	1.9
242.78703	1.7
264.29407	1.7
289.07196	3.3
301.03558	100.0
302.03802	8.3
355.91064	2.1
727.46094	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	767.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63199	0.4
71.01391	14.7
71.55690	0.4
83.01386	0.6
85.03006	0.5
87.00938	0.5
89.00327	1.7
91.01910	0.9
95.01412	0.7
98.22554	0.8
106.00618	1.8
107.01395	1.5
111.00874	1.4
115.00390	8.0
121.02973	34.8
122.03297	1.2
123.00903	5.7
124.01688	3.7
125.02473	8.3
126.54788	0.4
127.00385	1.4
133.01453	0.5
136.98837	1.1
138.03212	2.7
139.00409	2.4
139.04048	1.7
140.01158	0.8
151.00386	1.5
153.05588	27.5
154.05927	1.1
154.99921	0.5
166.99860	1.7
168.00641	2.0
169.01445	10.5
182.02225	4.6
183.02863	0.5
197.04572	100.0
198.04897	6.0
297.06171	0.6
313.05640	9.0
333.25793	0.5
388.04639	0.6
453.10440	34.2
454.10748	4.8
653.66199	0.5
693.39465	0.4
727.34827	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	767.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
57.54741	1.2
59.01388	10.4
61.98838	23.8
63.92780	1.2
69.03460	4.4
71.01383	10.1
71.05001	2.2
73.02966	2.0
81.03455	2.2
83.01382	2.3
83.05013	5.3
84.02171	1.8
85.02969	4.8
87.00917	2.3
89.02460	5.1
95.01378	1.9
95.05060	2.0
97.02937	2.9
97.06594	2.6
98.21715	2.4
98.22411	7.8
99.04494	3.1
99.08163	1.7
101.02467	7.3
109.06561	2.9
111.08169	1.7
112.05351	1.5
113.02471	3.3
115.07664	2.4
125.09721	6.0
127.07658	4.3
135.08173	4.4
141.09232	2.0
143.03551	1.4
149.09799	2.1
151.11372	1.8
153.09212	21.8
154.09547	1.8
161.04625	3.1
163.11334	5.1
165.12901	2.2
167.10809	4.3
171.10286	33.3
172.10666	2.2
178.09956	3.4
179.10825	2.9
179.14421	4.2
181.12323	1.9
185.11845	9.7
191.10838	3.3
195.13913	12.1
197.11850	11.7
205.12303	12.2
209.11842	60.9
210.12257	3.9
211.13432	4.2
221.11841	4.7
223.13412	100.0
224.13837	7.3
225.11363	2.8
235.08241	5.6
238.12163	2.9
238.83621	1.5
239.12849	2.4
245.19009	3.3
253.09334	17.2
263.20203	1.7
275.02014	1.5
279.19614	1.9
289.18155	15.1
290.18329	1.8
297.21027	2.6
301.00156	1.7
307.19171	97.1
308.19537	10.4
309.20840	3.8
325.20224	41.9
326.20547	3.9
407.19681	1.6
447.07071	1.5
459.22641	7.3
474.20642	1.9
475.20926	1.5
525.26910	6.5
543.28149	26.7
544.28613	6.7
561.29248	5.5
656.65741	1.4
680.34235	3.4
749.40875	14.7
750.41125	6.2
767.41754	7.5
768.41400	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	767.493
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	16.0
63.58823	0.2
63.79870	0.2
64.08625	0.2
66.92130	0.2
70.27200	0.2
71.36967	0.2
87.00908	0.3
88.00417	0.2
88.98815	100.0
89.02451	1.8
89.99156	1.3
98.21820	0.5
98.28098	0.2
125.02410	0.3
169.01556	0.2
271.02505	0.2
416.45050	0.2
431.92105	0.2
608.24963	0.2
626.84033	0.2
677.49872	0.7
777.01428	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	768.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.27848	0.6
94.25379	0.4
125.02471	1.8
169.01433	1.0
227.07993	0.4
269.70068	0.4
300.99805	0.5
319.69440	0.5
379.16721	0.5
549.97449	0.6
592.75189	0.5
705.34052	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	769.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76730	0.5
59.01383	3.6
67.70525	0.5
71.27499	0.9
72.99303	1.8
79.74725	0.5
87.00877	6.6
93.03489	1.0
95.01349	0.6
103.00377	3.4
109.03001	0.6
112.98814	7.3
113.52769	0.5
119.05038	53.1
120.05367	2.5
121.03009	0.6
123.00873	3.4
124.01699	2.5
125.02476	7.0
126.14032	0.5
130.99847	0.9
132.03026	0.8
139.04002	3.0
146.87166	0.6
149.00929	14.9
149.02200	1.0
151.00363	1.7
153.01936	6.7
156.90219	0.5
163.04018	100.0
164.04361	6.9
164.93510	0.5
165.01965	0.7
166.02711	1.7
167.03510	22.0
168.03885	1.2
169.01425	13.2
170.01830	0.7
177.01952	1.3
273.03809	0.6
295.04593	29.6
296.05011	2.8
303.05173	1.1
319.04593	18.4
320.04974	2.4
473.07217	6.6
474.07767	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	769.333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
71.01397	6.9
71.27771	1.5
72.18601	1.2
73.02950	2.6
78.98602	5.7
79.95747	13.3
80.96524	63.8
81.03474	1.9
85.02965	3.0
87.00891	2.7
94.98096	15.7
96.95992	2.4
97.02991	1.8
101.02467	3.1
106.98119	3.3
113.02390	1.1
122.97603	3.1
123.60856	1.2
125.02450	2.9
134.97620	4.2
136.99217	1.5
148.99112	6.2
152.98688	4.7
164.98657	10.2
187.49391	1.1
206.99757	1.7
209.11905	4.7
225.00774	19.1
288.63654	1.3
290.71481	1.4
300.99863	1.7
508.53903	1.2
509.17291	2.2
755.09277	1.3
769.33264	74.7
770.33606	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	6.1
71.27641	10.3
71.27987	10.4
78.95910	10.5
83.84589	7.6
169.46700	7.1
169.72911	7.0
209.11824	100.0
227.12976	17.0
227.75943	6.9
231.82832	7.6
291.19669	69.1
323.22391	17.2
533.46094	7.5
543.09564	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	770.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.69188	2.4
82.08535	0.9
136.28265	1.2
219.26003	1.1
651.79706	1.2
662.21307	1.2
725.07117	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	770.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22367	1.1
61.98836	100.0
62.48354	1.2
62.98117	1.1
66.99500	1.1
69.16663	1.2
70.86396	1.1
71.26521	2.5
82.88667	1.2
88.56544	1.2
90.43141	1.1
95.27915	1.2
114.04738	1.7
769.05176	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	771.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15812	2.9
70.01838	5.6
70.02214	4.6
91.62393	2.9
117.03474	6.8
119.05032	4.3
121.02954	3.2
133.02979	11.5
135.23900	3.1
135.92979	2.9
145.02991	12.0
147.04517	6.7
157.03001	6.1
159.04619	3.5
161.02475	16.4
163.04050	7.1
171.00851	6.3
173.02403	13.3
175.00337	3.6
175.03984	7.4
176.01120	4.1
177.01968	12.5
179.03488	4.6
185.02481	4.0
187.00381	11.3
189.01958	27.0
190.02686	13.6
191.03534	47.5
199.00412	8.1
200.01144	4.8
201.01857	20.0
203.03589	10.3
205.01402	6.9
213.01929	3.4
214.99890	16.5
216.00629	4.1
217.01427	46.3
218.02074	12.4
219.02995	22.3
222.01759	3.7
226.99902	11.6
229.01495	26.9
230.01984	4.9
231.03050	9.1
242.99324	16.8
243.03076	4.3
244.00012	5.4
245.00946	61.8
246.01428	6.7
247.02483	100.0
248.02855	8.0
259.02362	6.6
259.99615	3.3
261.00473	9.3
261.04156	4.2
263.02133	6.0
270.98871	51.7
271.99435	7.6
273.00427	43.9
274.00916	7.0
275.02011	13.0
288.99872	8.4
289.03253	5.0
291.01379	15.6
298.98367	31.0
299.99020	8.2
300.99954	36.3
333.02664	6.8
435.05670	6.1
443.03061	3.8
445.04227	3.9
491.99472	3.3
513.96332	3.2
529.14069	3.5
584.88928	3.4
725.06573	3.7
735.04742	73.4
736.05591	20.2
753.05969	18.6
754.06305	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	771.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41256	1.0
60.73167	0.9
62.03598	0.8
64.01909	0.8
69.24493	3.5
69.24916	4.2
86.06836	0.8
109.02885	0.9
112.57870	0.9
117.03489	2.3
119.05028	1.1
123.00919	1.0
125.02470	1.2
133.02951	3.4
135.04601	1.1
145.02988	7.6
147.04538	3.7
161.02455	6.2
163.00284	1.1
163.04060	5.2
166.36627	1.0
169.01465	1.2
171.00848	1.8
173.02486	9.1
175.03999	3.1
177.01868	1.2
187.00394	1.5
189.01920	10.5
190.02661	3.0
191.03529	12.7
201.02007	5.5
203.03539	3.5
205.01430	1.6
214.99788	2.3
217.01414	29.2
218.01956	3.6
219.02986	6.3
226.99721	1.7
229.01472	4.8
231.02898	1.1
242.99345	3.1
245.00926	39.6
246.01360	4.3
247.02490	98.8
248.02869	8.6
257.01129	1.4
270.98856	19.5
271.99411	2.7
273.00443	100.0
274.00784	9.3
275.02094	3.2
288.99954	2.3
291.01498	54.8
292.01804	6.0
298.98398	21.6
299.98776	1.6
301.00031	8.3
333.02661	5.7
435.05652	3.5
444.25058	1.0
451.05130	4.8
452.05609	1.3
453.06821	3.4
461.03448	1.4
479.05161	1.5
606.92969	1.1
735.04742	11.6
736.04822	3.3
753.05658	3.5
754.05695	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	771.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.3
65.00320	2.9
68.99802	2.0
69.26313	6.1
71.01389	8.2
78.51099	0.8
79.01902	0.9
81.03445	1.3
83.01387	6.7
89.00322	1.4
93.03491	0.9
95.01373	1.9
106.00632	1.0
107.01385	3.4
108.02145	1.0
109.02988	2.1
111.00896	1.7
115.00375	3.7
121.02969	26.8
122.03745	2.1
123.00909	13.5
123.04535	36.0
124.04858	1.0
125.02464	41.4
135.04509	0.9
137.02419	1.9
138.03229	1.2
139.00372	3.7
141.01920	1.4
144.49916	1.1
149.02490	4.5
150.03227	3.7
151.00403	23.7
151.04022	100.0
152.04370	5.5
153.01956	93.1
153.02960	1.2
153.04527	1.5
153.05563	19.7
154.02315	5.8
161.02464	4.3
164.01122	1.2
165.01837	1.0
166.99876	2.1
169.01453	17.8
177.01897	1.8
182.02153	4.7
183.03026	1.2
197.04573	60.3
198.04922	3.4
257.04559	3.1
259.69824	0.9
269.04480	1.1
275.05621	3.1
287.05618	7.9
294.40375	0.9
303.05133	82.9
304.05478	9.4
305.06586	1.5
313.05661	4.0
342.87869	1.0
457.07748	46.6
458.08005	10.4
464.99338	0.8
529.31403	1.0
711.04541	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	771.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
63.02428	0.7
63.81786	0.8
69.72900	0.9
71.01389	12.3
81.03463	0.9
83.01393	2.6
89.00343	2.5
91.01907	1.0
93.03455	0.8
95.01408	1.0
97.02945	1.7
98.21817	2.8
105.03477	2.0
106.00672	1.0
107.01408	1.3
109.02957	1.5
111.00919	1.3
115.00388	7.6
121.02972	33.6
123.00905	7.2
123.04545	13.1
125.02455	54.0
126.02785	2.1
127.00430	1.2
133.02986	1.2
137.02467	2.9
138.03290	1.5
139.00392	2.4
149.02493	2.6
150.03236	1.2
151.00385	9.2
151.04021	37.0
152.04366	1.7
153.01950	39.8
153.05585	24.1
153.45641	0.8
154.02351	2.1
154.05925	1.8
161.02481	5.8
165.01863	1.4
166.99883	2.3
169.01440	92.6
170.01802	3.9
182.02194	3.7
193.01430	1.7
197.04565	100.0
198.04877	5.1
203.03476	0.8
217.01489	0.9
229.28453	1.2
234.82967	0.8
245.00984	1.1
247.02527	1.7
257.04572	1.2
269.04581	1.8
270.98917	0.9
275.05594	1.0
287.05521	4.9
288.06216	1.0
300.99927	0.9
303.05136	35.0
304.05438	3.5
305.06705	4.6
313.05707	6.8
331.04794	1.7
457.07773	32.0
458.08127	5.5
536.51245	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	771.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	26.8
63.45075	27.1
68.00462	24.6
69.89516	100.0
103.02772	26.9
113.24303	23.0
338.78125	25.8
446.53574	27.8
449.53958	30.3
452.13693	28.3
462.22992	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.10854	0.5
59.01385	4.7
61.98832	3.7
71.01389	4.9
71.05022	1.4
72.99297	0.6
73.02943	1.2
80.02673	1.4
81.03455	1.3
83.01366	0.7
83.05042	6.0
84.02158	0.9
85.02953	1.6
87.00856	0.5
89.02461	3.3
95.01393	0.7
95.05045	1.6
97.02921	0.7
97.06596	1.1
101.02438	4.0
109.06601	0.8
111.08153	0.5
112.05266	0.5
113.02441	2.2
115.07695	0.8
119.03553	0.5
123.08152	0.6
125.06112	0.8
125.09727	3.1
127.07645	1.8
133.10291	0.5
135.08163	1.4
137.09653	0.4
140.45531	0.5
145.05078	0.6
149.70380	0.5
153.09229	9.8
155.10880	0.8
161.04539	2.1
163.11316	5.1
165.12827	2.8
171.10289	19.7
172.10686	0.6
178.10072	1.0
179.05702	0.5
179.10876	0.5
181.12331	1.3
185.11870	2.9
191.10741	2.4
191.14409	0.7
193.07838	0.5
197.11867	3.5
207.10277	0.8
209.11850	100.0
210.12180	7.3
211.13387	0.8
221.11841	0.7
223.13417	0.5
227.12900	14.2
228.13278	1.3
235.08215	2.9
238.12090	0.7
245.19127	1.6
253.09294	9.9
279.19333	0.5
289.18127	6.9
290.18439	0.8
297.20605	0.6
307.19171	33.2
308.19562	3.8
309.20746	0.9
325.20200	13.0
326.20581	1.6
335.22382	0.8
345.20792	1.0
354.93079	0.5
363.21884	0.7
397.61105	0.5
471.30579	0.7
500.16711	0.6
517.31805	0.6
525.26666	1.6
543.28058	6.2
544.28705	1.7
561.29230	1.8
599.30615	0.6
684.33527	1.8
735.39624	2.8
736.40417	0.9
753.40472	4.3
754.40845	1.4
771.41693	1.5
772.42438	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	771.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76976	1.6
59.01381	3.9
61.98827	4.9
62.38525	1.7
69.57078	8.2
70.75480	1.8
71.01383	3.0
75.80570	1.6
78.14302	1.5
81.30387	1.8
83.05017	4.7
84.15936	1.7
89.02470	2.7
92.76468	1.4
100.10558	1.6
101.02461	2.8
108.64678	1.6
113.02406	1.8
135.08105	1.4
145.02969	2.8
153.09229	10.3
163.11253	4.7
165.12854	3.7
171.10286	17.8
178.09933	1.7
179.05644	1.6
185.11760	2.7
191.10858	3.7
197.11844	2.0
209.11839	100.0
210.12212	7.5
222.89835	1.9
227.12874	8.6
228.13145	1.9
235.08301	3.1
253.09378	7.7
282.56934	2.0
289.18112	5.3
307.19147	29.4
308.19489	3.5
309.93402	1.7
325.20255	13.3
326.20587	2.2
525.26910	2.5
543.28058	6.6
621.31726	1.9
649.89856	1.9
656.09534	1.7
735.39587	2.4
753.40265	4.2
754.40894	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	771.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23374	1.2
57.12629	1.2
59.01385	4.7
61.98830	8.2
64.27538	1.3
65.57617	1.5
68.97804	6.0
68.98232	7.6
71.01389	5.4
89.02470	1.8
101.02457	4.0
113.02482	2.0
142.13586	1.4
145.05080	1.5
163.22816	1.4
165.12827	2.5
165.71088	1.4
167.14471	2.3
181.12358	1.7
182.42184	1.6
183.13933	7.3
193.12332	2.5
195.14000	3.0
209.11876	2.3
210.12247	1.5
211.13416	100.0
212.13708	8.6
225.11348	2.0
235.08310	4.2
247.20799	1.9
253.09302	9.1
281.21268	1.6
291.19675	27.6
292.20032	2.6
309.20746	74.6
310.21103	10.5
325.06158	1.6
334.36084	1.6
377.47894	1.6
447.22546	5.0
527.28699	3.3
545.29828	15.3
590.94757	1.5
739.43250	7.7
740.43005	3.0
771.41577	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	773.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31544	4.4
69.44704	8.6
69.45113	12.6
71.67429	3.2
105.14364	3.6
112.08507	3.8
117.03518	3.6
123.00856	4.3
125.02427	14.4
133.02962	8.7
137.02429	5.2
145.02966	10.4
147.04523	6.0
150.72940	3.5
161.02429	19.5
162.95374	3.6
163.04053	8.1
169.01437	15.4
173.02463	8.5
175.03992	11.7
177.01909	7.2
179.03520	4.1
187.04041	4.8
189.01926	19.8
190.02667	8.5
191.03516	28.2
201.02037	17.5
203.03485	16.9
213.75140	4.9
217.01443	26.0
219.03050	21.2
221.04507	7.1
229.01422	26.7
231.03015	11.8
233.00967	4.1
245.00800	21.8
247.02469	90.2
248.02664	7.3
249.04094	10.0
257.00949	14.9
261.00357	12.9
263.02002	10.1
273.00473	17.6
275.02011	58.0
276.02383	7.2
278.98126	3.7
288.99954	23.3
291.01379	12.8
293.03058	8.9
300.99945	100.0
302.00299	9.7
333.02457	8.1
336.97388	4.4
363.03653	6.9
393.04547	13.3
417.04724	4.4
435.05780	7.9
453.06799	21.7
479.04474	5.0
483.07910	7.6
605.07922	4.0
737.04932	5.1
755.07361	32.2
756.07452	8.8
773.09064	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	773.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77669	0.6
57.03462	0.8
59.01371	0.7
71.01373	0.9
72.83658	0.5
85.02962	6.6
87.91217	0.5
91.01920	0.5
92.59364	0.6
95.01382	1.0
97.96753	0.5
101.18666	0.4
108.87432	0.5
111.00893	0.8
117.03454	1.3
119.05021	1.0
121.02967	1.0
123.00872	1.1
125.02467	3.8
129.03479	0.8
131.04997	0.8
133.02956	2.5
135.04543	1.1
137.02419	0.7
144.25870	0.6
145.02945	3.0
147.02957	1.0
147.04541	2.5
149.02492	1.2
157.02983	1.2
159.04520	1.9
161.02420	3.5
163.00394	1.5
163.04001	3.0
169.01404	1.5
173.02411	3.1
174.03049	0.7
175.04005	3.2
177.01918	2.0
185.02396	3.9
189.01884	6.1
190.02654	1.1
191.01949	2.9
191.03503	3.8
193.01425	0.9
201.01981	5.4
203.03526	6.6
204.03825	0.7
205.01445	0.7
205.05087	0.6
213.01971	1.0
216.00679	2.3
217.01413	7.6
218.01994	1.5
219.02997	3.3
221.04677	1.0
229.01430	11.8
230.01840	1.2
231.02954	4.2
244.00188	4.4
245.00943	12.8
246.01442	2.1
247.02489	13.9
248.02809	1.3
249.04037	5.0
254.99246	0.5
257.00928	9.8
258.01608	3.9
270.98779	1.4
271.99298	0.9
272.97388	1.2
273.00427	34.7
274.00861	4.2
275.01990	51.7
276.02313	5.1
283.99683	2.2
291.01462	8.3
292.02023	0.6
293.03009	0.7
298.98096	0.6
299.99167	2.3
300.99918	100.0
302.00293	8.8
319.00925	3.9
393.04709	1.9
419.98676	0.5
435.05588	0.8
469.04178	0.5
481.06232	8.7
482.06738	1.1
755.07336	15.0
756.07581	3.1
773.09485	1.0
773.32617	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	773.085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.5
73.24010	1.1
81.03481	1.1
85.02963	1.7
95.01400	3.0
97.02993	1.6
98.21736	3.2
104.88184	1.1
105.03466	1.7
107.01462	1.0
107.05049	1.1
109.03065	1.3
111.00913	1.2
117.03489	3.2
119.05042	3.2
121.02924	1.6
123.00903	5.5
124.01598	1.1
125.02483	10.6
129.03493	1.5
131.05016	2.1
133.02960	3.2
135.04564	2.4
137.02440	4.7
139.00465	1.3
145.02974	7.2
147.00859	1.4
147.04529	9.5
149.02457	3.2
157.02956	1.4
158.03780	1.3
159.04556	7.8
161.02437	11.0
163.00354	9.3
163.04054	6.8
164.01089	2.5
165.01904	2.3
168.00658	1.4
169.01445	8.9
173.02505	10.1
174.03159	1.6
175.00584	1.5
175.04025	12.6
176.01048	1.0
177.01981	7.8
177.05602	2.2
179.03557	1.3
182.87692	1.0
185.02473	5.8
186.03067	1.3
187.04056	2.6
189.01955	17.1
190.02739	7.9
191.03528	21.2
192.03946	3.1
193.01408	5.4
201.01947	10.7
202.02473	1.8
203.03525	21.0
204.00548	1.1
204.03802	2.2
205.01357	2.8
205.05064	4.7
211.02368	1.3
213.01938	3.3
214.02538	1.6
216.56851	1.2
217.01442	22.8
218.02034	3.4
219.03000	13.8
221.01047	1.2
221.04573	15.2
222.01672	1.8
229.01442	20.7
229.33980	1.6
230.01889	2.7
231.02972	11.7
233.00945	1.3
235.02579	2.2
237.00398	2.3
245.00925	17.2
246.01498	3.6
247.02487	100.0
248.02820	9.1
249.04063	17.6
257.00937	18.8
258.01617	4.6
261.00452	10.1
263.01965	3.1
263.54193	1.1
273.00421	36.3
274.00839	3.9
275.02005	86.1
276.02356	6.6
283.99649	3.0
288.99939	15.8
290.00223	1.8
291.01508	20.6
292.01932	1.9
293.03088	9.2
299.98965	1.5
300.99933	81.7
302.00302	7.9
305.03113	1.4
318.19855	1.1
319.01038	3.8
324.40219	1.1
333.02463	2.3
337.02747	1.2
353.63477	1.1
363.03598	2.9
391.06827	3.8
393.04816	7.1
394.05414	1.3
417.04718	4.4
435.05771	19.1
436.05975	2.3
451.04895	1.5
453.06735	10.9
454.06973	1.8
483.08032	9.5
621.07709	1.9
650.16333	1.1
659.68616	1.2
673.06476	3.0
729.09607	4.2
730.09534	1.5
737.04797	1.8
755.07281	21.3
756.07214	5.2
760.07526	1.2
773.08502	21.4
774.08752	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	773.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71880	1.7
61.98825	1.5
63.02378	1.8
65.00316	8.5
69.06113	12.1
80.10512	1.1
83.01395	5.5
93.03452	2.2
95.01429	2.2
97.02967	2.7
98.22533	3.2
98.55605	1.3
107.01405	9.0
108.02231	2.0
109.02975	6.3
117.03511	4.0
117.98602	1.5
119.05060	2.7
121.02952	6.2
123.04548	2.0
125.02457	13.3
129.03488	2.3
130.08740	2.7
133.02960	2.5
135.00946	1.7
135.04591	1.5
137.02455	5.0
139.04004	1.4
145.02982	11.2
149.02464	6.1
151.00401	23.2
151.04033	3.6
157.03075	1.8
159.04521	4.8
161.02420	5.4
163.00368	4.1
163.04062	3.0
164.00870	1.3
165.01988	12.4
169.01434	7.7
173.02461	6.4
173.05963	1.7
174.03162	3.2
175.00427	1.6
175.03990	1.7
176.01169	2.2
177.01973	7.6
179.03598	1.4
183.04610	1.5
185.02538	4.3
185.06094	3.5
187.03973	7.4
188.04596	1.5
189.01929	4.5
190.02705	4.5
191.03561	2.2
192.00670	4.0
193.01251	1.9
193.26437	1.4
201.01993	12.1
202.02550	1.4
203.03510	3.2
205.01477	2.9
205.05038	4.2
217.01433	9.4
218.02240	6.5
226.99852	1.5
229.01413	23.3
229.04904	7.2
230.02060	3.0
231.03020	7.2
232.00168	17.8
233.00594	2.4
233.04526	2.2
245.01006	8.7
246.01622	1.7
247.02448	3.9
247.06165	2.2
249.04074	2.3
253.05235	4.1
254.99319	2.7
261.04080	6.9
262.04407	1.7
271.06155	4.2
273.00449	17.2
273.03775	2.5
277.03516	14.0
287.01984	11.2
297.04013	13.6
298.04642	1.9
303.05212	2.0
305.03036	100.0
306.03311	8.3
315.05121	53.1
316.05441	6.5
331.00723	1.8
333.06339	3.4
527.06006	1.7
538.14996	1.5
545.07312	9.5
559.08862	2.9
560.09106	1.6
577.10077	18.0
578.10242	3.1
603.08258	8.5
621.08893	59.9
622.09180	13.7
630.09290	1.5
773.09290	1.8
803.47052	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	773.374
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54100	3.3
61.98818	9.9
67.22549	3.0
70.21336	7.6
70.21735	6.7
71.01363	2.9
71.13186	3.4
83.05084	3.5
96.96009	7.6
171.10237	5.8
209.11836	100.0
210.12224	8.0
227.12897	27.1
238.38907	3.4
253.09378	5.9
267.72510	3.3
271.03751	3.2
327.21820	11.1
336.74008	3.0
445.20795	12.4
471.51044	4.0
685.14142	3.5
722.21143	3.8
773.37653	11.1
774.37079	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	773.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03450	1.1
58.00337	0.3
59.01381	4.2
61.98837	2.3
64.58625	0.4
68.86053	0.3
69.03471	0.8
70.18198	0.7
70.18551	0.9
71.01388	5.0
71.05047	0.3
72.99304	0.4
73.02960	0.9
80.02693	1.3
81.03458	1.5
82.95446	0.6
83.01397	0.7
83.05037	5.6
84.02193	0.9
85.02966	4.7
87.00887	1.0
88.83734	0.4
89.02441	3.2
95.01405	0.5
95.05042	1.0
95.73068	0.3
96.39578	0.3
96.96018	4.0
96.96994	0.4
97.02975	1.1
97.06589	2.0
97.64906	0.3
99.92605	0.5
101.02448	4.5
107.87396	0.3
109.06583	0.5
110.03735	0.3
113.02466	1.7
116.92880	3.6
119.03524	1.0
123.00924	0.3
125.02467	0.5
125.06113	0.5
125.09743	1.0
127.11317	0.8
130.56013	0.3
135.08170	0.8
137.09752	1.6
145.05109	0.7
155.10782	0.8
155.14366	0.4
161.04633	2.1
163.11295	4.2
164.11703	0.5
165.12845	2.6
171.10287	12.8
172.10580	0.5
177.12901	0.6
179.05627	0.7
181.12358	0.9
183.13992	1.9
183.70023	0.4
185.11815	0.9
191.10817	1.1
193.12306	0.6
197.11909	0.4
199.13383	0.5
201.11374	0.7
209.11845	100.0
210.12192	8.2
211.13412	9.5
212.13712	0.5
219.05084	0.3
221.11861	1.5
225.11391	0.7
227.12912	14.4
228.13185	1.2
229.14452	7.4
230.14751	0.5
235.08232	8.4
239.12904	1.2
244.05475	0.4
253.09302	17.5
254.09650	1.1
262.71915	0.4
291.19687	3.6
309.20731	7.4
310.21014	0.9
327.21780	60.4
328.22125	7.1
445.20581	1.4
446.21332	0.5
519.33136	1.1
537.34021	0.5
545.29742	0.9
563.30676	2.5
773.38171	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	775.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23187	0.7
65.00312	1.9
71.26309	1.3
89.66885	0.6
91.01904	2.4
91.02431	0.8
93.03448	0.6
95.01378	0.9
95.05032	0.7
105.03513	0.7
107.01407	2.3
109.02988	1.7
119.01417	2.3
120.43150	0.6
120.66267	0.7
121.02986	1.8
123.00928	0.9
124.01608	0.7
125.02466	10.1
133.02980	2.0
135.04523	0.8
137.02460	3.0
139.04062	1.2
145.02979	1.4
147.00906	8.0
147.04517	1.6
149.02437	1.3
151.00366	7.7
151.03934	1.2
157.02962	0.8
161.02440	11.7
162.02919	0.8
163.00380	5.4
163.04042	3.1
164.01100	2.0
165.01978	3.7
167.03493	2.3
169.01443	6.4
173.02438	1.9
175.00392	4.5
175.04018	4.6
176.01115	0.8
177.01910	3.3
179.03577	0.7
181.01488	1.3
189.01970	5.0
190.02620	0.7
191.03552	4.3
193.01387	1.8
201.01903	2.0
202.99873	23.3
203.03542	2.1
204.00246	1.3
205.01440	2.1
206.68143	0.7
217.01422	3.8
218.99492	0.7
219.03017	2.5
219.06606	0.8
227.03450	1.5
229.01450	12.5
230.01855	2.0
231.03044	0.9
233.00850	4.1
243.03107	1.1
245.00928	5.7
245.04565	3.3
246.98853	100.0
247.02444	6.2
247.99205	6.3
261.00391	24.5
262.00882	2.0
269.04590	1.6
271.02420	1.0
273.00409	10.2
274.00797	1.2
287.05649	1.0
288.99951	4.6
289.02597	0.9
290.00284	0.9
291.01535	3.1
300.99832	1.6
305.06720	1.0
309.51541	0.6
313.03580	2.1
316.99438	1.4
323.51007	0.8
326.04221	1.5
327.05151	1.3
331.04602	5.5
349.05624	7.1
350.05908	0.9
355.04645	0.9
357.06274	1.1
365.03116	0.8
367.04654	1.1
375.07236	2.1
517.07922	2.7
535.08795	2.8
543.05853	0.9
561.06659	2.3
579.07690	2.2
588.92096	0.8
606.05646	1.0
775.07465	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	775.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	36.4
87.00897	6.9
97.02962	5.6
131.77278	6.0
151.11285	10.1
160.03128	5.1
163.11401	5.5
164.87209	4.7
169.01367	5.1
169.12315	34.9
209.11865	100.0
210.12279	5.5
211.13405	16.1
223.52103	6.0
227.12935	17.3
235.08136	6.9
253.09273	13.2
289.18097	14.6
293.21304	61.8
294.21640	7.0
687.26526	6.4
739.39111	55.5
740.39453	16.2
775.40045	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	23.0
68.31790	4.0
69.47746	4.6
70.05302	4.8
71.01385	6.6
76.81844	4.6
98.21745	12.7
98.22430	25.4
108.37997	4.6
115.00390	12.6
138.11275	4.6
143.38007	5.0
157.65601	4.7
169.53644	4.9
171.10275	4.8
174.01697	6.6
175.02446	11.2
188.86951	4.7
209.11823	71.9
210.12239	6.8
211.13396	13.7
227.12820	22.3
253.09259	21.0
293.21259	100.0
293.24307	9.9
294.21646	10.3
309.20706	6.0
546.33783	5.5
549.60205	4.8
613.13464	5.1
679.19421	5.2
739.40796	6.5
775.40082	26.9
776.41107	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	775.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48341	52.3
60.38158	51.6
70.60393	100.0
70.60744	63.9
86.45215	48.4
90.89740	50.7
96.34607	51.5
102.45908	46.0
122.70103	48.8
158.77370	45.1
211.13351	65.4
277.21527	64.7
288.51883	49.9
327.02713	53.7
462.10321	49.8
516.02441	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
69.03456	1.2
71.27336	0.5
79.01908	0.4
81.03466	0.6
83.01392	0.7
89.63340	0.3
92.87068	0.3
94.72670	0.4
95.05016	0.5
97.02971	1.3
105.03487	0.4
107.01406	0.7
109.02983	1.0
113.65789	0.3
123.00935	1.0
125.02463	55.0
126.02783	2.0
137.02457	2.1
139.04028	0.4
161.02460	3.8
165.01932	1.1
165.98489	0.4
167.03502	1.3
169.01453	100.0
170.01807	4.6
177.05638	0.4
179.03510	0.9
192.99847	0.4
193.01430	1.9
201.05568	0.5
219.06703	0.5
221.04596	0.5
252.09036	0.4
269.04559	0.8
287.05673	1.2
305.06671	4.6
306.06949	0.4
331.04636	2.1
457.07788	10.2
458.08145	1.3
609.13922	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	777.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
71.27148	0.3
79.95741	1.7
96.63598	0.2
96.96019	100.0
97.95930	0.5
125.02465	1.0
169.01416	0.6
222.63588	0.2
239.09128	0.4
301.03708	0.2
319.04929	35.2
320.05212	2.5
414.13354	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	777.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61238	2.0
69.21295	3.6
69.21705	12.0
70.63206	1.7
98.22482	2.7
107.01395	3.4
121.02979	3.0
151.00369	10.4
159.16634	1.8
163.00410	3.4
169.54808	2.1
178.99910	6.1
201.01959	2.0
242.99203	2.5
243.03091	5.6
249.21884	1.6
255.03004	18.1
271.02509	28.3
272.02881	5.3
279.70175	1.9
299.99341	4.9
300.02777	58.1
300.99911	14.5
301.03482	52.5
302.03787	3.9
329.11188	1.8
405.04324	2.0
447.09341	100.0
448.09686	17.1
449.09995	2.6
475.05347	3.7
497.87723	2.0
746.56110	2.5
759.46381	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12987	2.3
66.80608	2.4
71.27368	3.3
71.27728	4.0
85.94232	2.9
96.96042	3.1
107.01425	4.5
113.75423	2.6
123.00876	5.4
124.01710	5.0
125.02467	39.4
139.00479	3.6
140.01201	6.0
163.47650	2.9
168.00693	10.4
169.01437	51.2
170.01826	3.5
191.02019	4.3
193.01505	15.6
211.02516	44.3
218.01746	3.0
271.04575	23.8
313.05692	11.5
461.68427	2.7
483.07745	100.0
484.08322	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	777.2257
Annotation	2',6'-Diacetyl-3,6-diferuloylsucrose
Peak:m/z	Relative Intensity
57.93606	0.9
59.01383	3.7
59.10250	0.8
71.01374	1.4
71.27157	1.2
81.92515	1.1
96.96078	1.0
113.02467	1.6
123.04617	1.0
125.02442	2.3
132.02187	29.0
134.03745	16.9
137.02467	1.8
149.06161	2.8
160.01677	85.9
161.00887	1.0
161.02122	5.8
169.01433	2.7
175.04022	100.0
176.04410	7.5
178.02756	2.2
179.03564	1.6
193.05083	15.0
194.05383	1.4
207.10214	1.0
248.45543	1.1
265.07214	2.3
271.06216	1.0
337.09442	2.6
441.22318	1.0
499.14447	1.2
513.14221	3.0
541.15729	2.7
559.16736	3.8
583.17029	1.9
601.17572	3.1
675.19415	2.3
691.99805	1.1
717.20160	3.3
718.20105	1.4
735.21442	5.3
736.21692	2.3
777.22760	8.8
778.22968	3.2
790.94098	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	777.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78626	7.6
59.01378	11.5
61.98835	63.6
63.49013	8.2
65.01338	8.2
85.00426	10.2
88.98817	35.9
98.22573	15.5
98.75214	8.0
98.88995	7.7
101.02465	10.1
102.43556	7.1
110.91732	7.0
115.70885	8.4
116.92866	13.3
126.94848	7.8
162.05658	7.4
171.10355	12.5
197.11853	100.0
209.11777	20.7
225.00699	8.4
228.74652	11.3
253.09325	18.1
289.18134	11.9
301.00034	10.7
307.19086	64.0
325.20297	29.6
525.27313	13.7
543.28186	32.5
723.39288	32.3
776.69690	9.4
777.38196	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	13.6
70.17638	23.9
70.18005	47.3
78.95908	47.3
82.95410	22.2
113.19408	12.6
129.47893	15.5
201.11313	46.8
209.11806	81.7
227.12810	24.7
256.36859	14.0
277.21890	100.0
279.00851	19.1
345.17978	15.6
397.73859	14.7
435.65854	14.6
562.45905	15.7
777.42468	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59851	0.6
61.03841	0.7
65.00311	4.0
69.11906	5.4
70.53240	0.6
79.01881	0.6
89.03956	1.0
91.01891	0.8
93.03468	1.0
95.01400	1.4
101.03981	0.8
103.01883	1.5
105.03479	1.6
115.01910	1.9
117.03470	4.7
119.05037	1.1
121.02966	1.5
123.00896	1.8
123.04469	0.8
124.01686	1.1
125.02458	3.2
129.03548	0.9
131.01372	4.3
132.02150	1.4
133.02971	6.0
135.04515	1.3
141.66469	0.7
143.01411	3.7
145.02960	14.4
147.00897	4.2
147.04550	3.2
147.17372	0.6
148.01608	1.2
149.02432	1.0
155.01465	0.8
157.02972	3.5
158.03610	0.6
159.00902	6.1
159.04529	2.0
160.01657	1.3
161.02457	13.2
162.02919	1.2
163.00406	4.1
163.04018	8.5
171.00906	6.4
172.01682	0.8
173.02441	8.3
174.02969	0.9
175.00339	1.9
175.03995	3.6
176.01085	1.2
177.01938	8.7
179.03456	0.9
185.02495	4.5
187.00377	19.5
188.00948	2.7
189.01935	15.8
190.02609	1.2
190.99883	4.8
191.03529	6.1
199.00436	3.8
200.01131	1.6
201.01939	11.3
202.02519	1.2
202.99883	2.2
203.03517	5.4
205.01419	1.1
211.04027	1.0
213.01953	1.1
213.99115	2.6
214.02727	1.5
214.99873	23.1
216.00491	4.8
217.01427	16.2
218.01808	1.8
218.99417	1.1
219.03000	2.5
226.99928	4.9
227.03568	1.4
228.00856	0.7
229.01430	13.3
230.02065	2.4
230.99376	1.9
231.03011	4.7
233.00929	2.3
235.02386	0.9
239.40089	0.8
242.99359	17.0
243.02940	0.9
243.99887	1.9
245.00925	19.5
246.01352	1.8
247.02504	7.4
249.04068	6.9
254.99329	1.4
257.00949	6.3
258.01566	2.4
258.98871	3.5
259.99536	4.2
261.00424	14.7
262.00961	0.8
263.01987	1.3
269.04294	0.7
270.98874	24.4
271.02029	1.0
271.99185	2.6
273.00421	24.9
274.00949	2.3
275.01993	28.4
276.02438	1.9
283.99557	3.2
285.00327	0.7
285.97641	2.8
286.98395	13.3
287.98651	0.9
288.99820	1.0
291.01495	3.8
297.03638	0.8
298.98358	32.6
299.98901	5.8
300.99915	100.0
302.00278	8.8
302.97766	0.9
303.98535	0.8
304.99310	0.9
311.05939	0.7
314.97989	1.0
315.01550	0.9
316.99359	2.6
387.03574	0.9
405.04672	5.3
406.04770	1.0
431.02396	4.9
447.65497	0.7
449.03577	6.8
733.03656	3.1
743.01324	2.0
744.02136	0.7
751.04401	8.5
752.04486	2.7
761.02856	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	779.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	3.6
69.19970	4.8
69.20390	4.1
73.61971	1.1
75.02410	1.8
75.33313	1.1
80.73349	0.9
98.22025	3.9
103.01907	2.1
105.03497	3.1
105.70798	1.0
110.69033	1.1
113.03988	1.1
115.01908	2.7
117.03483	7.4
119.01404	1.4
119.05003	1.2
123.00916	1.4
125.02487	1.7
129.03462	1.5
130.26358	1.0
131.01408	7.4
132.02194	1.8
133.02988	9.3
137.02533	1.2
143.01414	4.2
144.49178	1.0
145.02974	16.2
147.00873	3.8
147.04539	3.3
149.02443	1.3
157.02948	3.1
159.00847	4.8
159.04439	2.5
160.01715	2.3
161.02454	12.0
163.00374	4.4
163.04005	9.2
165.01924	1.7
171.00900	7.2
173.02480	11.3
175.00458	2.7
175.03987	3.3
176.01070	1.2
177.01953	10.3
179.03558	2.0
185.02473	3.9
187.00380	26.7
187.04085	1.7
188.01022	3.8
189.01961	16.1
190.02577	2.4
190.99863	3.8
191.03555	7.7
199.00354	4.1
200.01244	1.4
201.01950	13.9
202.99841	2.8
203.03442	6.0
205.01369	1.6
213.01964	1.1
213.99135	2.7
214.99878	27.6
216.00594	4.3
217.01425	18.1
218.99318	2.1
219.03021	2.6
226.99834	6.0
228.00504	2.1
229.01425	16.0
230.02092	2.0
230.99380	1.4
231.02994	3.7
233.00948	1.1
242.99341	19.9
243.99768	2.2
245.00931	20.0
246.01077	1.6
247.02527	9.1
249.04112	7.5
257.00922	8.1
258.01526	2.6
258.98849	3.4
259.99649	4.2
261.00467	14.3
270.98892	28.3
271.01965	2.0
271.99222	2.9
273.00430	23.8
274.00949	2.0
275.02029	30.4
276.02313	3.2
283.99698	3.0
285.97546	2.3
286.98389	14.7
289.00046	2.1
291.01605	3.1
298.98373	36.6
299.98938	8.1
300.99927	100.0
302.00299	8.4
304.99576	1.8
309.44278	1.1
316.99380	1.8
319.01047	1.3
388.68747	1.4
405.04660	3.4
431.02597	4.4
449.03592	7.3
733.03076	3.7
740.30341	1.3
743.01105	2.6
751.04242	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	779.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.1
63.02392	1.8
63.70305	0.9
65.00330	2.2
66.16502	0.9
69.77315	0.8
69.87240	4.5
71.01385	3.2
74.37981	0.9
83.01402	3.1
85.02980	1.7
91.43961	1.1
94.97157	1.1
98.21947	1.3
100.83788	1.1
105.69379	1.1
107.01421	8.1
109.02972	3.5
121.02948	7.5
125.02480	1.9
133.59348	1.1
145.02963	1.9
151.00383	33.0
152.00894	1.1
161.02527	1.7
163.00360	1.8
163.04036	1.5
169.01529	1.5
173.02490	1.4
175.02507	2.0
177.01787	1.3
178.99911	15.7
181.63115	1.0
183.04558	1.1
185.02475	3.5
187.00357	1.4
189.01942	1.3
191.63885	0.9
194.24860	1.0
201.01913	3.0
211.04037	2.0
214.99956	2.4
217.01402	1.5
227.03580	1.5
229.01428	4.9
229.05165	2.0
245.00874	2.2
245.04637	2.8
246.52536	1.0
255.03052	4.1
257.01019	2.5
261.00455	1.9
270.98917	1.5
273.00424	2.4
273.03989	2.5
275.01917	1.4
283.02481	2.8
283.99680	2.0
298.98505	1.8
299.99063	3.7
300.99954	60.0
301.03577	100.0
302.00247	6.0
302.03958	10.0
367.29294	1.2
477.06772	55.5
478.07156	7.2
757.50391	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	779.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
59.01118	0.8
59.01384	4.5
59.63515	0.7
59.75262	0.8
68.95139	7.0
68.95538	1.7
71.01388	2.0
72.99310	5.2
81.03488	0.7
85.02966	2.9
87.00886	8.6
95.01410	1.3
96.06721	0.9
101.02464	2.3
103.00385	2.6
103.46905	1.0
107.01412	3.8
111.00873	1.0
113.02486	2.4
119.05035	22.6
120.05335	0.8
123.00897	6.6
125.02459	36.5
126.02796	2.0
135.04535	1.0
139.00365	2.5
139.03941	0.8
140.01157	2.3
141.01857	1.1
149.00931	52.5
150.01295	1.1
151.00354	4.3
163.04027	25.0
165.01921	1.0
167.03502	1.8
168.00636	4.4
169.01437	54.2
170.01768	2.4
179.03589	1.1
181.01395	0.9
183.03047	1.7
193.01421	4.1
209.03020	3.2
211.02505	14.6
213.00134	1.1
231.01256	2.3
241.03590	0.9
245.02763	2.2
253.03595	1.2
270.98752	0.8
271.04602	9.8
295.04678	6.6
301.00015	1.0
313.05737	14.1
314.06149	1.7
331.06635	3.4
375.23575	1.0
483.07852	100.0
484.08130	15.7
594.58813	1.0
795.82666	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	779.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
71.27011	1.1
79.01895	0.9
93.03489	1.5
93.87679	0.6
95.01463	0.9
95.05037	0.9
99.03279	0.7
102.23924	0.6
105.03486	2.0
107.01402	1.1
108.02237	1.2
108.50590	0.7
109.02995	1.5
116.92896	1.7
121.02949	2.3
122.03738	2.3
123.00896	9.1
123.04541	46.8
124.04857	2.4
125.02452	6.2
133.03026	1.0
137.02527	1.0
139.00363	2.4
141.01953	0.9
149.02444	5.7
150.03258	7.2
151.00398	11.4
151.04024	100.0
152.04395	3.4
153.01974	8.8
154.49269	0.7
163.00391	1.5
165.01958	0.9
169.01422	3.3
177.01926	1.7
178.99922	2.1
227.03539	1.3
243.02995	3.0
251.59454	0.8
255.03033	7.3
255.78140	0.7
256.03284	1.0
257.04645	3.8
271.02502	15.9
272.02960	1.5
273.03711	0.7
275.05582	1.6
300.02795	24.5
301.03497	17.5
302.03851	1.9
303.05130	96.4
304.05496	8.5
309.32843	0.7
442.50134	0.7
475.08859	34.7
475.95581	0.7
476.09177	4.7
570.64478	0.7
779.21436	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	779.2198
Annotation	Hydropiperoside
Peak:m/z	Relative Intensity
57.94721	0.2
59.01385	0.5
66.11878	0.2
71.01393	0.4
71.02254	0.3
87.00894	0.3
89.02463	0.3
89.03967	0.3
93.03439	0.3
101.02459	0.3
113.02447	0.3
117.03482	35.2
118.03823	1.9
119.05042	8.0
120.05342	0.6
121.64863	0.2
145.02971	100.0
146.03296	5.5
159.04434	0.3
161.06087	0.3
163.04024	6.1
164.04402	0.5
173.06076	0.4
187.03975	1.0
205.05124	0.3
217.04991	0.4
235.06059	0.7
289.07297	0.4
302.87573	0.2
305.79617	0.3
307.08429	0.5
325.09155	0.4
453.11942	2.5
469.13406	0.5
487.14636	2.9
488.15057	0.3
590.44128	0.3
615.17517	1.1
615.50208	0.2
633.18335	11.8
634.18451	2.6
779.22009	6.8
780.22302	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	779.2198
Annotation	Hydropiperoside
Peak:m/z	Relative Intensity
55.43365	0.2
55.90881	0.3
57.43047	0.3
61.98832	0.4
69.63422	1.6
89.03997	0.6
100.35484	0.3
113.02410	0.3
117.03477	40.5
118.03818	1.3
119.05035	8.7
120.05411	0.4
125.24722	0.4
133.06572	0.4
138.58038	0.3
142.49652	0.3
145.02966	100.0
146.03322	5.6
146.88655	0.3
147.04498	0.3
163.04033	6.6
187.04041	0.6
217.05075	0.5
235.06140	0.4
264.26569	0.3
276.39084	0.3
453.12146	1.3
469.13495	0.7
487.14679	2.7
615.17889	0.7
633.18256	9.8
634.18567	1.9
769.43427	0.4
779.21973	5.9
780.22510	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	779.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74097	0.2
59.01388	0.5
61.98825	0.7
63.47300	0.2
69.07909	0.7
69.08328	1.0
71.01405	0.4
72.99294	0.2
75.74559	0.2
84.33968	0.2
89.02423	0.3
89.03986	0.3
93.03458	0.3
98.21770	0.3
113.02419	0.2
117.03481	38.9
118.03831	2.2
119.05042	8.3
120.05366	0.5
145.02974	100.0
146.03314	5.7
146.04240	0.1
146.04526	0.2
158.03769	0.2
159.04535	0.3
161.06073	0.3
163.04034	6.2
164.04391	0.5
173.06096	0.4
178.25044	0.2
187.04047	1.0
217.05035	0.3
235.06204	0.3
289.07285	0.4
307.08157	0.4
325.09476	0.4
453.11993	2.2
469.13663	0.5
487.14642	2.6
488.15308	0.3
511.92004	0.2
542.15454	0.2
604.43341	0.2
615.17560	1.1
616.17352	0.3
633.18298	11.3
634.18677	2.3
779.21997	5.5
780.22534	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	779.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84751	0.2
59.01379	0.3
61.98836	6.2
63.99273	0.3
70.44368	0.2
71.01386	0.3
73.99447	0.2
85.02983	0.2
93.03444	0.2
99.34918	0.2
113.02494	0.4
117.03480	43.5
118.03819	1.8
119.05045	9.4
120.05343	0.4
121.02917	0.2
139.70126	0.2
145.02968	100.0
146.03307	5.6
159.04492	0.2
161.06152	0.3
161.84531	0.2
163.04033	7.5
163.05417	0.4
173.06129	0.3
187.04005	0.8
207.28564	0.2
209.11798	0.3
217.05086	0.3
235.06068	0.7
289.07236	0.4
307.08234	0.6
315.86432	0.2
453.11838	2.5
454.12146	0.4
469.13525	0.7
470.22314	0.3
487.14490	2.6
488.15225	0.3
615.17267	1.3
633.18250	12.5
634.18573	2.4
779.21960	6.5
780.22369	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	779.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31768	0.2
59.01378	0.4
61.56600	0.1
61.66848	0.2
61.98843	0.4
69.36758	1.0
71.01389	0.3
85.02943	0.2
89.02473	0.2
89.03989	0.4
93.03470	0.3
101.02441	0.2
113.02464	0.3
117.03477	38.0
118.03811	1.6
119.05034	7.4
120.05358	0.4
125.02452	0.2
132.02196	0.2
133.06610	0.2
145.02968	100.0
146.03302	5.7
150.03238	0.2
159.04622	0.2
160.01700	0.4
161.02196	0.2
161.06140	0.2
163.04024	6.3
164.04344	0.3
169.01376	0.2
173.06172	0.3
175.04033	0.6
187.04062	1.1
191.07294	0.2
195.06749	0.2
217.05075	0.4
235.06134	0.4
235.93086	0.2
250.88443	0.2
262.75290	0.2
271.02478	0.4
289.07028	0.4
300.02902	0.5
307.08344	0.3
315.05206	0.8
453.11969	2.3
454.12506	0.4
469.13477	0.7
487.14484	2.6
488.15057	0.3
615.16583	0.9
616.17499	0.3
633.18250	10.5
634.18591	2.6
779.22137	5.2
780.22479	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	781.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.0
67.11480	1.0
69.14981	10.7
71.35683	1.1
77.27145	1.2
81.02328	1.3
92.53125	1.1
117.03476	4.9
117.70530	1.2
119.05035	1.9
125.02454	1.5
129.03490	3.7
132.02220	1.9
133.02965	5.1
135.04544	1.6
145.02966	12.7
146.03406	1.6
147.00798	1.4
147.04543	5.9
149.02431	1.2
157.03001	7.4
159.00943	1.9
159.04541	2.0
160.01712	1.7
161.02454	9.7
163.00441	1.7
163.04008	6.6
171.00887	10.4
172.01541	2.0
173.02451	12.3
174.02928	1.7
175.03995	4.2
177.01926	1.9
185.02457	5.0
187.00394	2.2
189.01907	8.7
190.02757	1.3
191.03539	6.4
199.00400	7.1
200.01137	4.1
201.00291	1.9
201.01971	17.8
202.02391	1.9
202.67006	1.1
203.03545	7.0
213.01910	1.5
214.99918	4.5
216.00516	2.4
217.01431	11.2
219.02948	2.8
222.01448	1.4
226.99904	9.8
228.00452	2.6
229.01440	26.8
230.02089	6.0
231.03032	9.1
242.99333	4.5
245.00960	15.7
246.01387	2.1
247.02527	13.9
249.04079	4.3
254.99368	5.1
257.00888	11.9
258.01620	4.1
261.00409	4.5
270.98880	13.9
271.99545	2.7
273.00455	26.2
274.00900	2.1
275.01996	29.9
276.02365	2.1
283.99649	2.7
289.00040	1.7
291.01315	1.6
298.98355	30.0
299.99094	13.6
300.99921	100.0
302.00302	8.5
316.99612	1.1
399.03946	1.5
417.04449	1.7
443.03082	1.6
461.03537	6.7
671.74554	1.4
719.05347	1.4
745.03137	26.1
746.03851	10.2
753.05804	2.0
763.04279	19.4
764.04272	4.2
781.05139	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	781.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65502	0.9
60.61529	0.8
65.00312	1.3
69.12530	6.4
69.12929	1.8
70.03291	0.9
80.16155	0.8
85.33481	0.8
89.03941	1.2
95.01371	1.9
98.22583	1.5
103.93001	1.1
105.03462	1.4
115.01912	1.2
117.03469	5.5
119.04990	2.1
123.00896	1.8
125.02443	2.0
129.03436	2.9
131.01433	1.1
131.05035	0.9
132.02145	1.1
133.02975	4.6
143.01401	1.2
145.02948	15.2
146.03346	1.2
147.04536	5.0
149.02422	1.4
151.00311	1.0
157.02940	5.4
159.00856	1.7
159.04564	2.5
160.01649	1.1
161.02464	8.7
163.00310	2.5
163.04027	8.1
165.01897	1.1
171.00902	6.8
172.01617	1.6
173.02467	14.3
174.02972	1.1
175.04048	5.8
177.01950	1.8
179.03445	1.0
184.01701	0.9
185.02466	6.5
187.00418	2.5
188.01091	1.1
189.01968	10.3
190.02667	1.4
191.03525	8.9
199.00351	8.9
200.00961	2.1
201.01936	17.3
202.02313	2.1
203.03516	9.5
204.00751	1.4
205.01466	2.1
210.07419	0.9
213.01906	2.9
214.02654	1.3
214.99873	2.9
216.00511	1.7
217.01418	13.7
218.01987	1.7
219.03017	3.3
226.99884	11.3
228.00471	2.6
229.01443	22.4
230.02002	3.2
230.99388	1.1
231.02997	9.7
233.98149	1.2
242.99370	5.4
243.02983	1.2
243.99959	1.4
245.00906	21.1
246.01505	2.8
247.02496	13.9
248.02989	0.9
249.03943	5.5
254.99310	3.2
257.00952	12.8
258.01477	3.0
261.00449	4.1
263.01974	2.0
270.98871	15.4
271.99368	2.9
273.00421	42.4
274.00870	3.9
275.01987	46.7
276.02292	4.0
283.99542	2.4
285.00159	0.9
288.99902	2.0
291.01440	3.1
298.98349	43.5
299.98941	12.6
300.99915	100.0
302.00262	10.6
316.99374	2.7
319.01044	1.2
417.04822	1.2
425.01889	1.4
443.02609	1.7
461.03561	2.9
618.06030	1.0
735.04346	1.7
744.90778	1.1
745.03101	11.8
746.03381	3.9
753.06476	1.2
763.04224	7.8
764.04419	3.2
781.04633	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	781.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49692	1.5
59.98172	1.3
71.01379	1.9
95.01436	1.5
109.02953	2.1
109.43569	1.4
117.03462	3.8
123.00900	5.0
125.02477	10.8
129.03503	1.8
133.02975	2.7
137.02438	2.0
144.55789	1.4
145.02963	10.9
147.04546	4.5
157.02997	5.3
159.04535	4.2
161.02466	7.8
163.00342	1.9
163.04057	6.8
167.03566	1.7
169.01416	4.3
169.02782	1.9
171.00876	4.7
173.02501	12.3
175.04042	6.5
176.01294	1.9
177.01929	3.5
179.03348	1.7
185.02490	4.6
187.00441	1.9
189.02022	8.6
190.02615	2.9
191.03592	7.9
199.00429	6.9
200.01134	2.8
201.01950	12.6
202.02437	1.9
203.03604	8.5
214.99876	3.0
215.40724	1.6
216.00671	1.9
217.01445	10.0
219.03040	3.0
226.99857	11.2
229.01443	21.0
230.01952	2.3
231.03029	10.3
242.99477	4.7
244.00137	1.7
245.00923	17.7
246.01274	1.9
247.02502	13.7
249.04106	6.6
254.99396	2.3
257.01004	9.4
258.01462	2.3
261.00623	1.9
270.98911	14.9
273.00458	23.3
274.00864	2.9
275.02032	32.5
276.02374	4.1
283.99664	3.1
288.99826	2.0
291.01633	3.3
298.98383	22.8
299.99124	11.0
300.99945	100.0
302.00269	10.4
316.99246	1.9
319.00684	2.1
354.38562	1.6
451.11798	1.6
461.03604	6.3
512.34778	1.8
667.57648	1.5
745.03223	17.8
746.03186	3.9
763.04163	10.3
764.04175	3.9
776.37091	1.8
781.04919	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	781.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46484	1.5
60.25708	1.5
61.98828	1.5
70.31588	2.7
71.01389	4.7
85.02991	2.4
95.01395	2.7
101.96123	2.3
107.01421	6.6
111.00869	1.9
123.00917	9.2
125.02470	55.4
137.02377	2.5
139.00391	3.6
140.01196	3.2
151.00420	6.4
157.27379	1.9
163.26523	1.8
165.01961	2.4
165.15956	1.7
167.03543	1.8
168.00703	3.8
169.01453	64.3
193.01479	3.4
196.94357	1.7
211.02536	3.9
243.02948	2.6
255.03238	2.4
271.02585	11.6
295.04370	1.8
297.06226	2.9
300.02737	18.3
301.03253	2.3
313.05682	22.2
314.06186	2.3
315.05215	11.9
465.06744	100.0
466.06882	13.4
629.11200	8.2
781.12683	18.4
782.13330	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	781.127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87586	0.3
56.11263	0.3
59.01380	0.6
61.95138	0.4
61.98849	0.6
65.00336	0.7
65.78934	0.5
67.01895	0.8
68.99838	0.5
69.03459	1.1
71.01396	6.3
72.94624	0.3
72.99300	0.6
79.01900	1.2
81.03457	0.7
83.01393	1.1
85.02960	1.5
87.00875	0.4
94.87447	0.4
95.01384	2.3
97.02969	1.6
101.02454	1.8
105.03471	0.5
105.54143	0.3
107.01403	9.7
109.02962	0.7
110.00072	0.4
111.00874	2.0
113.02469	1.7
121.02966	0.6
123.00905	10.2
124.01672	1.6
125.02465	57.5
126.02795	2.1
127.00410	1.2
136.98831	1.4
137.02480	1.5
138.03246	0.7
139.00403	4.6
139.03996	0.5
140.01180	3.5
141.00610	0.4
141.01915	1.5
145.02989	0.5
149.02454	1.6
151.00385	7.0
151.03973	0.6
153.01967	1.5
155.18379	0.4
161.02484	0.7
163.00336	0.4
165.02013	1.8
165.03142	0.4
165.05690	0.5
166.02649	0.5
166.99887	1.6
167.03499	1.8
168.00674	5.4
169.01450	83.1
170.01813	3.2
174.67920	0.4
177.01962	0.6
179.03534	1.5
181.01477	0.8
183.03091	0.5
191.03516	0.5
193.01442	5.9
195.02962	0.8
207.03090	0.8
211.02487	5.4
223.02513	2.4
226.02696	0.9
227.03575	0.4
229.22754	0.4
233.04648	0.5
235.02538	1.3
241.03613	1.6
243.03023	2.6
253.03554	1.7
254.02280	0.9
255.02992	1.3
271.02487	11.5
272.02963	1.2
295.04703	3.2
297.06216	3.3
300.02795	11.3
301.03159	1.2
313.05704	30.6
314.06073	3.2
315.05170	5.0
316.05386	0.9
326.78983	0.5
465.06784	100.0
466.07126	13.8
721.51715	0.5
781.12671	19.2
782.13153	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	781.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	1.3
59.01386	16.6
62.06285	0.8
66.14304	0.9
69.03452	1.2
71.01382	5.2
72.18567	0.9
73.02960	5.6
80.06091	0.9
81.03436	1.5
82.07711	0.9
83.05029	4.0
85.03001	1.3
87.00847	1.8
89.02467	2.3
93.03465	22.7
98.22614	2.1
101.02448	4.1
103.04015	2.5
107.01414	5.4
109.74772	1.1
111.00900	1.4
111.04542	9.0
115.04061	1.2
119.03474	1.1
123.00902	1.4
124.01684	3.0
125.02459	64.5
126.02789	3.1
129.05536	1.9
129.07040	1.0
131.03534	2.7
136.98755	1.4
137.02461	5.6
139.00340	1.6
140.01186	2.3
143.03511	3.6
155.03476	3.8
163.06064	3.1
168.00645	13.1
169.01437	100.0
170.01782	5.5
173.04578	1.1
205.07161	3.7
281.06549	1.5
318.39291	1.0
325.05673	58.7
326.06006	5.8
439.82648	1.1
455.17728	63.3
456.18054	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	781.4416
Annotation	lugdunin
Peak:m/z	Relative Intensity
60.94235	7.3
71.01382	9.6
79.95737	14.1
80.96519	100.0
94.98093	18.1
98.22562	11.4
115.81037	7.1
134.97693	7.4
142.04340	7.8
151.44614	6.3
164.98627	10.5
225.00732	12.0
461.98343	6.8
496.35272	7.0
781.43964	64.9
782.44086	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	782.434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58369	2.7
57.69622	2.7
59.01368	5.9
61.55722	3.5
64.05878	3.1
71.01384	5.9
82.33266	2.9
89.02474	3.7
101.02443	8.3
183.13918	6.8
193.12311	3.6
197.11830	9.0
197.26201	2.8
211.13411	100.0
212.13742	9.2
235.08301	3.5
253.09308	9.9
291.19647	25.1
309.20712	55.2
310.21091	6.5
447.22498	2.8
545.29626	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	782.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28266	8.9
98.21725	18.1
176.82135	9.1
211.13470	100.0
228.92258	14.5
271.30402	9.1
277.21820	56.3
782.41022	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	783.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06362	0.8
61.22972	1.0
67.01890	1.0
79.01835	0.9
79.08897	1.0
85.02973	1.4
88.26888	1.1
95.01393	8.5
98.22572	3.7
103.01923	1.0
107.01402	3.6
117.03468	3.2
119.05061	1.4
123.00905	15.3
125.02458	17.1
129.03458	2.2
133.02971	4.0
137.02440	1.5
139.00362	1.0
139.31339	1.1
140.01186	1.6
141.01889	1.0
141.03484	1.1
143.01390	1.5
145.02975	6.8
147.04536	3.9
149.02457	1.7
157.02940	4.2
159.00920	1.0
159.04440	1.6
160.01654	1.2
161.02539	6.0
163.00380	3.2
163.04065	4.9
165.02014	1.1
166.99890	6.3
168.00642	2.2
169.01437	13.5
171.00879	2.9
172.01657	2.4
173.02426	8.6
175.04005	5.2
176.01230	1.1
177.01866	1.7
185.02541	4.9
187.00450	1.8
189.01985	5.9
191.03513	9.7
199.00499	1.8
199.03885	1.1
200.01155	3.4
201.01962	13.3
202.02380	1.8
203.03488	8.0
205.01436	1.6
213.01915	1.3
214.99937	2.3
216.00478	2.0
217.01450	7.3
219.03000	3.9
221.00935	1.0
226.99907	3.0
228.00549	3.0
229.01422	17.4
229.27942	1.8
230.02068	5.1
231.03008	14.8
231.43750	1.2
232.03537	1.5
235.02510	2.6
241.16772	1.2
242.99318	4.1
244.00153	1.6
245.00920	12.8
246.01376	2.5
247.02480	12.9
249.04062	1.5
255.03055	1.4
257.00906	6.5
258.01489	1.3
261.00381	3.4
263.02060	1.8
270.98853	11.5
271.01764	1.4
271.99368	2.1
273.00476	18.9
274.00934	3.9
275.02051	18.0
276.02188	2.3
283.99744	2.1
288.99786	1.5
291.01498	3.8
298.98346	15.7
299.99014	10.2
300.99924	100.0
302.00223	13.1
303.00616	2.4
313.05542	1.5
316.99387	1.6
335.00430	1.3
372.79968	1.1
394.61493	1.1
399.03473	1.5
401.05411	1.3
417.04883	1.4
418.57849	1.1
427.03513	2.3
429.05017	1.4
433.04248	1.6
443.02414	1.6
445.04108	12.7
446.04224	1.3
463.05182	3.6
465.06921	1.8
497.38095	1.0
498.18027	1.1
553.05615	1.2
585.05786	1.5
586.06262	1.1
587.07416	1.2
595.03558	4.7
596.96295	1.6
597.05286	23.2
598.05548	4.2
613.05139	6.5
615.06787	6.6
616.06604	1.3
747.03668	2.1
755.07062	3.0
765.05707	21.3
766.06183	6.7
783.06781	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	783.069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27284	1.9
65.00358	1.9
67.01895	2.8
71.01383	2.1
72.98853	1.8
79.01884	2.8
81.03510	1.7
89.74846	1.6
91.01965	1.6
95.01402	26.3
97.76811	1.5
98.21717	4.0
101.03960	3.1
107.01402	6.1
111.00916	3.1
117.03466	8.2
117.82018	1.7
119.04995	4.3
123.00895	44.3
125.02471	36.5
129.03540	3.6
131.05046	1.8
132.02156	2.8
133.02962	5.8
135.04510	1.7
137.02444	3.3
138.03304	1.7
139.00415	3.0
141.03456	2.1
143.01443	2.2
145.02974	20.3
146.03265	1.8
147.00876	3.3
147.04501	11.4
149.02376	3.0
156.02104	1.8
156.49660	1.9
157.02956	14.2
158.03699	2.3
159.00833	2.8
159.04514	3.5
160.01724	2.1
161.02438	17.8
163.00377	4.4
163.04021	14.0
166.99902	14.8
168.00575	1.8
169.01447	31.2
171.00897	8.0
172.01628	5.7
173.02466	20.7
174.02907	3.5
175.04053	14.3
177.01875	4.9
179.03583	3.0
185.02463	6.2
187.00348	3.3
189.01939	10.8
190.02652	4.4
191.01949	2.7
191.03516	24.7
193.01385	2.2
199.00429	9.0
200.01117	10.2
201.01964	41.2
202.02371	5.1
203.03545	18.6
205.01454	4.3
207.02992	2.4
209.00858	3.9
214.02693	4.6
214.99832	4.1
216.00630	3.8
217.01425	16.4
219.03075	13.2
226.99867	16.1
228.00519	8.1
228.62158	1.8
229.01436	42.0
229.23119	2.3
230.02135	11.0
231.02957	29.8
232.03302	3.7
233.00545	2.2
235.02554	6.8
242.99432	4.2
244.00272	2.4
245.00952	23.8
246.01369	5.9
247.02507	45.5
248.02882	4.9
249.03896	2.6
254.99397	6.0
257.00928	14.3
258.01569	2.7
261.00354	4.4
263.01993	8.0
264.02481	2.3
270.98901	14.2
271.99530	4.7
273.00436	46.5
274.00864	8.6
275.02002	36.0
276.02286	4.9
291.01532	11.5
298.98364	25.9
299.99069	20.3
300.99927	100.0
302.00287	14.1
303.00604	3.0
316.99393	2.8
335.00436	8.7
399.03537	5.4
401.05289	2.8
409.48093	2.0
417.04486	3.8
427.03079	7.5
443.02145	3.9
445.04056	4.5
461.03430	2.2
595.03894	10.1
597.05243	30.2
598.05463	3.6
613.04852	11.9
727.07574	2.2
755.07178	7.7
765.05829	82.0
766.06274	26.4
783.06653	5.9
784.07617	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	783.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80273	0.4
70.85344	0.9
83.09624	0.5
91.35664	0.5
95.01369	1.0
101.70023	0.5
114.36640	0.6
119.05026	1.0
123.00874	1.6
125.02411	0.9
129.03438	1.1
145.02951	2.4
147.04518	2.1
149.56371	0.6
157.02919	1.6
159.04507	1.3
161.02486	0.9
163.03976	1.9
173.02420	3.7
173.86826	0.5
174.03162	0.5
175.04027	2.3
177.01920	1.2
185.02444	5.3
187.04068	0.7
189.01912	2.0
190.02669	0.9
191.03482	3.4
201.01952	6.5
203.03575	5.2
213.01859	1.1
217.01448	1.7
219.03024	1.1
226.99980	1.0
228.00505	0.8
229.01443	12.9
230.01874	1.1
231.02960	4.5
245.00903	3.2
247.02507	2.8
249.04071	2.9
257.00952	10.7
258.01581	3.2
273.00436	2.3
274.00946	0.7
275.02002	31.2
276.02277	1.9
283.99762	3.8
285.00092	0.7
285.06284	0.8
298.98428	0.9
299.99219	3.2
300.99915	100.0
302.00253	9.6
346.99905	0.6
393.04550	0.9
393.53830	0.5
415.12561	0.5
453.06711	1.2
463.04800	0.5
479.04892	1.3
481.06171	6.9
482.06509	1.2
520.18359	0.5
585.87158	0.6
761.94952	0.6
783.06934	20.2
784.07410	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	783.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26745	1.1
71.59384	0.7
71.91070	0.7
76.86843	0.7
95.01428	1.0
96.96017	0.8
111.52219	0.7
114.59542	0.7
123.00887	2.4
125.02446	3.2
133.02962	0.9
145.02974	2.8
147.04520	2.4
151.03979	1.5
152.01144	1.1
153.01945	1.4
155.17677	0.7
157.02980	2.1
159.04507	1.8
161.02429	1.3
163.03972	1.3
173.02428	4.2
175.03947	3.9
177.01941	1.9
185.02434	5.3
187.04065	1.6
189.01982	1.6
190.02788	1.6
191.03505	3.3
201.01985	7.8
203.03508	8.9
205.01460	0.9
213.01907	1.4
217.01433	1.9
219.03020	1.9
229.01413	14.5
230.01939	1.7
231.03014	5.2
245.00967	4.6
247.02487	4.9
249.04019	3.9
257.00946	12.4
258.01624	5.3
263.82007	0.8
273.00427	3.4
274.01169	0.9
275.02002	41.6
276.02463	3.5
283.99704	4.4
285.06177	1.0
291.01468	1.8
299.99167	5.0
300.99918	100.0
302.00281	9.1
303.05173	1.2
319.01181	0.8
343.00583	1.0
421.03821	1.1
453.06754	1.1
472.36026	0.8
481.06241	5.0
783.06885	23.1
784.07251	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	783.069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81694	0.5
62.33099	0.7
66.32603	0.7
67.91283	0.6
75.54539	0.6
95.01343	1.2
122.73676	0.7
123.00884	2.5
125.02422	1.1
129.03459	1.0
131.05116	0.6
133.03003	1.3
145.02957	3.0
147.04492	1.9
157.02934	1.9
159.04497	1.8
161.02415	0.7
163.03999	2.2
173.02426	2.7
175.04062	3.9
177.01888	1.5
181.33640	0.6
185.02498	4.8
189.01968	1.2
190.02614	0.8
191.03519	2.7
201.01950	5.7
203.03506	7.6
204.03864	0.7
213.01961	1.5
217.01434	1.2
219.03020	2.2
226.99937	0.7
229.01437	14.4
229.07596	0.6
230.01874	1.4
231.02980	5.2
232.03273	0.9
245.00893	3.2
246.01462	1.2
247.02609	3.0
249.04030	8.2
254.99530	0.6
257.00943	11.6
258.01535	4.8
259.02200	0.8
273.00452	1.5
274.01230	1.0
275.01990	48.8
276.02325	4.0
283.99759	3.5
291.01349	0.6
291.05115	0.6
298.98276	1.0
299.99203	3.4
300.99915	100.0
302.00259	10.1
319.00949	1.5
413.08630	0.6
421.04068	0.7
463.04926	1.6
481.06354	4.4
765.06256	0.7
783.06927	24.2
784.07312	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	783.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33965	0.7
60.00016	0.5
63.21217	0.6
71.27999	0.5
81.62951	0.6
85.03001	0.6
95.01372	1.5
97.16516	0.7
107.01282	0.6
112.20440	0.6
117.03429	0.9
119.04983	1.1
121.02991	0.8
123.00887	2.6
125.02453	3.6
128.76482	0.5
129.03484	0.7
133.02950	1.3
137.02521	0.6
145.02943	2.7
146.03224	0.6
147.00772	0.6
147.04501	2.3
157.02913	2.4
159.04558	1.4
161.02464	1.4
163.03973	2.1
165.01851	0.6
166.12602	0.6
169.01495	3.1
173.02438	3.5
175.04034	3.6
177.01929	1.7
185.02434	5.3
185.38954	0.8
187.04077	1.2
189.01871	1.7
191.03523	3.7
197.04555	1.1
200.01208	0.9
201.01952	6.7
202.02696	0.7
203.03522	8.2
205.01486	0.7
213.01967	1.6
214.02760	0.8
217.01340	1.1
219.02972	2.4
226.99940	0.8
228.00504	1.0
229.01436	15.1
230.01820	1.6
231.03011	7.0
232.03407	0.7
243.02733	0.6
244.00050	0.8
245.00926	4.1
247.02509	3.6
249.04092	6.1
254.99483	0.7
257.00949	11.9
258.01556	4.7
270.98862	1.8
271.99527	0.7
273.00464	3.0
274.01022	1.5
275.01984	47.8
276.02460	3.4
283.99606	3.3
298.98270	1.3
299.99063	4.1
300.99911	100.0
302.00281	9.0
319.01056	1.3
345.02304	0.6
450.99301	0.9
463.05316	1.1
469.09540	0.7
481.06354	6.1
482.06732	0.9
613.04340	1.0
765.05524	0.8
783.06879	21.1
784.07190	4.5
794.42487	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	783.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58130	0.6
68.63388	0.6
71.26315	1.3
95.01380	1.5
107.01393	0.8
112.79292	0.6
117.03473	1.2
119.05051	1.0
123.00898	3.7
125.02438	3.7
131.05104	0.8
133.02942	1.9
137.02457	1.8
145.02989	3.9
146.03235	0.7
147.04547	3.3
157.02951	2.3
158.03589	0.7
159.04544	3.3
161.02444	2.5
163.00378	1.6
163.04047	2.0
164.01129	0.7
167.03493	1.0
169.01463	1.4
172.01540	0.8
173.02454	4.7
174.03099	1.3
175.03996	4.7
177.01939	2.8
179.03473	0.8
185.02469	5.9
187.04024	1.6
188.00885	0.7
189.01912	3.1
190.02612	1.3
191.03522	5.0
193.01422	1.4
200.00989	0.9
201.01982	8.9
202.02393	1.2
203.03526	10.2
204.03809	0.7
205.01430	1.4
213.01973	2.1
214.02621	1.2
214.99756	0.8
216.00613	0.7
217.01445	3.6
218.01923	1.3
219.03055	3.0
221.04623	0.7
226.99937	1.0
229.01425	17.3
230.02000	3.1
231.03014	8.7
232.03392	0.8
245.00967	7.5
246.01295	1.4
247.02541	7.1
248.02972	0.8
249.04076	10.4
254.99249	0.7
257.00940	15.3
258.01538	5.0
261.00320	0.8
270.98935	1.7
271.99265	0.9
273.00394	5.2
274.00946	1.8
275.02002	68.9
276.02307	6.3
283.99658	2.8
291.01450	1.0
293.02695	0.8
298.98355	2.2
299.99072	3.1
300.02295	0.9
300.99924	100.0
302.00284	8.8
303.00351	2.2
319.00909	1.3
332.66989	0.7
419.92758	0.7
433.08047	0.8
463.05161	2.4
464.05032	0.8
465.06964	0.6
481.06110	1.6
482.07141	0.7
729.43628	0.7
755.06268	0.9
765.05603	3.3
766.06610	1.3
783.06915	15.3
784.07349	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	783.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44521	1.5
70.59821	2.5
70.60181	3.3
107.05120	1.4
108.02180	23.9
108.02839	2.3
109.02978	6.7
111.00919	1.4
119.05040	2.9
123.00927	1.7
133.02962	3.3
145.02988	7.5
147.04536	5.7
152.01184	20.6
153.01988	10.0
157.02965	2.5
159.04523	2.9
161.02431	5.2
163.04022	6.8
165.01962	3.2
165.05614	2.7
169.01454	2.0
171.00894	1.6
173.02425	7.5
175.04015	7.9
176.82382	1.4
177.01930	3.4
179.63266	1.5
185.02473	6.8
189.01997	8.6
190.02675	4.5
191.03516	27.7
192.04005	2.2
199.00247	1.7
201.01915	11.6
202.02519	1.5
203.03552	10.0
205.01424	3.4
209.00937	1.8
209.04671	1.6
213.02080	1.7
217.01450	15.0
219.03030	13.2
221.00931	1.9
221.04572	2.5
229.01448	19.8
230.01836	1.6
231.03073	4.9
235.02457	6.1
242.99583	1.7
245.00958	19.7
246.01482	2.3
247.02501	66.4
248.02829	6.4
249.04121	7.3
257.00983	9.4
258.01596	3.8
261.00464	2.7
263.01990	3.4
270.98959	5.9
273.00452	40.0
273.02881	1.4
274.00934	4.8
275.01990	44.5
276.02295	4.7
277.03571	4.2
283.99612	3.7
285.06204	34.5
291.01471	19.9
298.98364	7.2
299.98981	2.7
300.99927	100.0
302.00290	10.5
307.81274	1.6
319.04556	1.7
333.02560	6.2
337.05713	3.1
363.03711	6.2
365.05222	2.4
393.04617	32.3
393.09387	2.8
394.05038	3.8
397.07706	3.5
425.07288	2.8
435.05545	2.9
451.05179	3.5
453.06808	48.4
454.07068	8.5
479.04718	38.0
480.04724	8.1
481.06076	8.1
497.05862	10.9
647.46240	1.8
778.19916	1.6
783.06824	22.2
784.06940	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	783.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.6
69.88333	0.6
71.01387	12.9
71.21942	0.5
83.01394	0.7
89.00345	1.4
91.01898	1.5
95.01390	1.7
98.21668	0.8
98.37321	0.5
106.00619	2.2
107.01398	1.5
111.00885	1.5
114.75397	0.6
115.00378	7.0
119.05024	0.8
120.62565	0.5
121.02966	30.4
122.03309	1.2
123.00895	4.6
125.02467	8.2
133.01453	0.9
133.02992	0.7
136.98795	1.1
138.03230	2.3
139.00406	3.9
140.01167	9.4
145.02975	1.8
147.04539	1.1
151.00362	1.2
153.01971	0.8
153.05579	22.9
154.02736	1.3
154.05920	1.8
155.03517	11.4
155.05412	0.6
161.02631	0.6
163.03940	0.6
166.99870	2.3
167.03612	0.6
168.00613	1.2
169.01440	10.0
172.01527	0.7
173.02493	1.6
175.03943	0.9
177.01950	0.8
182.02213	4.6
185.02443	0.9
187.00475	0.6
189.01958	1.3
190.02727	0.6
191.03513	1.3
197.04562	100.0
198.04903	5.8
201.01926	2.2
203.03477	1.4
217.01440	1.5
219.03098	0.8
229.01447	3.4
231.02968	1.2
242.99292	0.7
245.00940	2.2
247.02504	1.8
257.00970	1.8
258.01675	1.1
270.98877	2.3
273.00461	2.2
275.02048	6.7
298.98428	3.4
299.99005	1.5
300.99905	16.7
302.00275	2.4
313.05682	9.4
314.06061	0.9
317.08871	1.4
353.89926	0.5
422.69547	0.6
469.09885	30.0
470.10135	3.3
481.05872	0.7
597.04840	1.0
613.05090	1.5
637.97760	0.6
651.94427	0.6
765.06464	1.2
783.06793	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	784.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98834	100.0
65.12667	0.2
65.13018	0.2
71.01384	0.4
80.96541	0.3
88.98844	0.3
96.96024	0.4
125.02476	0.4
126.90482	0.6
142.90060	0.2
169.01376	0.4
171.10326	0.7
181.76176	0.2
197.11914	0.9
200.09006	0.2
207.10338	0.3
209.11880	1.0
211.13553	0.4
214.80344	0.3
215.77417	0.3
221.11934	0.8
225.11424	0.3
229.14355	0.3
264.53497	0.2
273.00626	0.3
275.02084	0.6
301.00012	1.1
307.19489	0.3
327.21869	0.6
347.31216	0.2
376.02771	0.4
390.02563	0.5
390.52423	0.3
441.65408	0.3
525.49585	0.3
596.36725	0.3
785.40070	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	785.085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84448	1.3
69.84847	0.9
71.01359	0.5
75.19058	0.4
77.67930	0.4
79.35645	0.4
95.01413	0.7
97.38167	0.4
107.01377	0.6
108.49113	0.4
109.02946	0.4
117.03436	0.5
123.00917	2.1
125.02465	6.1
140.01157	0.4
145.02939	0.9
147.04538	0.9
149.02420	0.4
155.92836	0.4
157.03004	0.9
159.04549	0.6
161.02457	0.7
163.04022	0.7
164.01183	0.5
166.99930	0.5
169.01448	5.0
173.02510	1.1
175.03995	1.5
177.01930	0.8
183.03798	0.5
185.02434	2.0
189.01952	1.2
190.02625	0.5
191.03500	0.8
201.01945	2.7
203.03520	2.2
213.01973	0.6
217.01427	0.9
218.02180	0.5
219.02968	0.8
227.00002	0.5
229.01448	5.9
230.02292	0.5
231.03088	2.0
245.00943	3.0
246.01392	0.5
247.02438	1.3
249.04016	1.9
254.99556	0.4
257.00964	5.3
258.01563	1.5
273.00433	3.5
274.01065	1.8
275.01981	16.2
276.02350	1.4
283.99719	1.7
299.99152	3.3
300.99921	100.0
302.00290	10.3
313.05765	1.1
315.01315	0.5
419.06485	0.6
422.69989	0.5
437.07248	0.7
438.07471	0.6
445.04645	0.6
446.04681	0.5
463.05194	4.2
464.05557	0.8
465.06616	0.6
482.06018	0.4
615.06311	6.4
616.06390	1.3
633.06952	1.1
718.24817	0.4
785.08405	12.4
786.08734	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	785.085
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67188	0.4
62.80154	0.4
95.01386	0.6
98.21718	0.8
100.20458	0.4
107.01376	1.5
113.02428	0.5
123.00922	2.1
125.02458	12.3
129.22249	0.4
145.02950	1.5
147.04549	0.7
157.02913	1.1
159.04536	1.1
163.03999	1.5
168.00661	0.8
169.01450	14.8
170.01753	0.8
173.02432	1.6
175.03998	1.5
177.01967	0.9
185.02480	3.3
187.04002	0.6
189.01923	0.7
190.02650	0.7
191.03490	1.1
193.01416	0.9
201.01994	2.5
203.03513	3.2
211.02417	0.9
213.01938	0.8
217.01401	0.5
219.03052	0.5
228.00775	0.6
229.01398	5.6
230.01984	0.7
231.02962	3.4
245.00899	1.8
247.02510	0.6
248.03250	1.9
249.04068	6.2
250.04472	0.6
257.00909	3.2
258.01602	1.8
273.00320	1.1
274.01242	0.7
275.01996	13.9
276.02371	1.2
283.99683	2.2
291.01419	1.0
299.99118	2.4
300.99924	100.0
301.96863	0.6
302.00296	10.1
313.05811	1.0
331.06775	1.0
419.06201	1.1
463.05240	0.6
465.07309	0.6
483.07861	11.1
483.14359	0.8
484.08170	1.8
633.07544	0.7
785.08545	14.4
786.08771	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	785.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32033	0.5
66.44925	0.5
71.01388	1.6
75.22513	0.4
85.02956	0.8
95.01391	1.2
98.22555	1.0
105.08388	0.5
107.01403	2.2
111.00939	0.4
111.19263	0.4
113.02444	1.3
115.46456	0.4
115.48466	0.4
121.02942	0.5
123.00900	3.6
124.01673	1.2
125.02463	11.6
126.02836	0.6
133.02925	0.6
135.04420	0.5
139.00410	0.7
140.01138	0.6
145.02937	1.5
147.04555	2.0
151.00356	1.6
151.04047	0.5
157.03012	0.6
159.04527	2.2
161.02448	1.5
163.04071	1.1
168.00667	1.2
169.01445	12.5
172.85997	0.4
173.02435	1.4
175.04010	4.6
177.01933	1.4
179.03484	0.8
182.66522	0.4
185.02419	2.1
187.04031	1.1
189.01979	1.2
190.02718	0.7
191.03531	2.2
193.01442	0.5
196.12038	0.4
201.01944	3.1
202.02675	0.7
203.01576	0.5
203.03514	10.1
204.03847	1.0
205.01357	0.9
207.03011	1.1
211.02513	1.3
213.01945	1.7
214.02689	0.7
217.01454	0.9
218.02110	0.7
219.02977	1.6
228.67924	0.5
229.01434	9.7
230.02014	1.3
231.02972	7.2
232.03241	0.8
233.00891	0.4
235.02534	0.9
243.66827	0.4
245.00909	2.9
247.02542	2.2
249.04062	14.8
250.04440	1.2
257.00937	11.3
258.01630	5.4
259.02148	0.7
271.04572	1.6
273.00403	4.2
274.01224	3.1
275.01990	100.0
276.02335	9.7
283.99719	0.6
285.03513	0.5
293.03073	0.9
295.04767	1.5
299.99231	0.9
300.99905	22.6
302.00296	1.9
313.05637	4.2
319.00925	0.9
331.06775	1.1
335.04120	0.8
359.08286	0.5
391.06766	0.7
419.06238	10.5
420.06616	0.6
437.07266	17.1
438.07672	2.4
450.75018	0.4
453.10370	2.6
463.05011	0.8
465.06821	7.9
466.06946	0.9
481.05853	0.8
483.07593	1.5
571.07648	0.8
572.07880	0.5
589.08368	6.9
590.08673	1.3
633.07050	1.1
670.64630	0.5
741.09424	2.0
742.09552	0.6
785.08636	2.4
786.07965	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	785.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94058	1.2
55.74140	1.2
61.72447	1.1
66.89905	1.0
67.48500	1.4
69.15324	1.1
69.50908	2.6
69.51296	3.9
70.64674	1.3
71.01398	1.3
73.90043	1.2
85.02961	2.0
86.76313	1.2
89.64813	1.3
107.01363	1.3
108.02184	47.7
109.03018	8.2
112.13896	1.4
117.03508	1.4
123.00866	3.4
125.02482	9.0
137.02461	2.7
145.02927	2.1
147.04544	2.5
151.03914	1.7
151.99986	2.3
152.01175	38.1
153.01973	22.4
157.02980	2.0
159.04501	4.0
163.00374	9.8
163.04103	2.4
165.01950	1.2
165.05722	1.0
166.99925	1.2
169.01430	11.2
173.02490	1.8
175.04065	5.8
177.01968	3.4
185.02469	4.1
187.04066	2.9
189.01913	2.3
191.03503	3.0
193.01431	4.3
195.02766	1.2
199.47180	1.3
201.01868	6.2
203.03513	11.7
205.05087	3.6
209.00818	1.6
213.01904	1.7
217.01520	2.3
219.02974	3.9
221.04509	1.7
229.01445	16.4
230.01788	2.4
231.03011	12.1
237.00426	3.1
240.07407	1.3
245.00876	5.0
247.02451	7.3
248.02859	1.3
249.04016	15.2
250.04416	1.7
257.00900	14.7
258.01486	7.1
273.00406	4.1
274.01065	2.5
275.02017	83.9
276.02313	10.5
277.02591	2.1
279.01642	1.3
283.99689	1.6
285.06189	87.5
286.06506	7.4
293.03156	6.5
299.99078	2.3
300.99921	100.0
302.00238	19.1
303.00516	9.9
313.05750	1.6
319.01010	2.5
339.71851	1.3
379.02893	2.2
394.05325	1.7
395.05685	2.8
419.06259	4.1
437.07285	6.3
438.08466	1.4
439.05298	3.6
453.06451	1.8
454.07248	1.4
455.07639	3.6
465.06445	3.4
479.04501	1.5
481.06342	25.1
482.06668	4.7
483.07596	5.0
499.07339	29.1
500.07605	4.8
589.08331	2.3
633.07410	2.4
770.27026	1.5
785.07898	16.9
786.08276	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	785.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39872	0.4
60.77814	0.5
68.99807	0.6
80.11356	0.5
86.97861	0.4
115.61777	0.5
117.03489	2.3
119.05035	0.7
121.03005	0.8
123.00858	0.6
125.02473	0.6
129.03450	0.9
133.02971	1.2
136.56967	0.5
145.02956	5.8
147.04497	0.8
149.02466	1.0
151.00421	0.7
155.14658	0.5
157.02986	1.0
158.03706	0.7
161.02499	2.7
162.03185	0.8
163.04047	1.5
173.02463	6.5
174.03261	3.2
175.03967	0.9
176.01144	1.0
177.01959	1.6
177.05554	0.5
178.99736	0.5
179.03580	0.7
185.02437	0.8
189.01964	4.2
189.05492	0.6
190.02737	5.3
191.03403	1.1
192.00529	1.2
193.01439	2.1
201.01930	10.2
202.02638	1.5
203.03502	1.7
204.00687	0.8
205.01440	1.6
205.05113	0.7
217.01413	5.1
217.04913	0.8
218.02174	7.2
219.02885	0.8
228.69975	0.7
229.01433	13.8
230.02023	2.6
231.02960	2.7
232.00156	2.9
233.04564	2.5
235.02490	1.0
244.00136	0.7
245.00894	6.2
246.01663	3.1
247.02408	1.6
248.02870	0.6
249.03951	3.5
255.02719	0.5
261.00220	0.8
261.04016	10.7
262.04352	1.2
263.02127	0.8
271.02432	0.9
273.00403	6.9
277.03558	17.5
278.03824	2.0
300.02631	1.8
301.00177	0.9
301.03482	1.8
305.03049	38.1
306.03372	3.8
337.05667	100.0
338.06000	10.0
447.09570	2.8
449.68417	0.5
487.65036	0.5
751.93561	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	785.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01394	9.6
59.45172	1.2
61.98837	44.8
69.03455	7.4
70.06080	4.4
71.01390	10.4
71.05018	2.4
73.02941	2.5
76.82809	1.2
78.91909	1.3
83.01346	1.4
83.05051	2.1
85.02958	4.4
89.02460	3.4
95.01410	1.6
96.96030	5.7
97.06619	2.0
98.22213	3.0
99.00870	1.7
101.02452	5.9
113.02445	4.0
121.06626	1.9
125.02476	2.9
125.09745	5.3
127.07677	3.5
151.11324	4.9
153.09215	3.1
153.12851	1.9
161.04602	1.6
161.09747	5.1
163.11293	1.9
168.98325	1.3
169.01459	2.2
171.10364	6.6
178.10114	2.3
179.10808	11.1
185.11887	5.0
191.10728	1.7
191.14430	1.4
197.11842	82.4
198.12196	5.7
207.10342	2.9
209.11868	26.0
211.13470	1.7
221.11792	1.6
223.13412	2.5
225.11285	2.7
241.10944	4.6
247.02486	1.7
253.09268	4.6
275.02026	5.3
289.18213	3.9
300.99893	5.8
307.19312	11.0
325.20392	3.3
327.21716	1.8
477.19794	4.6
543.27612	2.0
767.38721	4.9
768.39240	2.5
785.39728	100.0
786.40051	30.9
819.97504	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	786.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25169	0.2
61.98835	100.0
62.63244	0.2
71.87830	0.2
76.40831	0.2
80.96532	0.3
96.95983	0.8
125.02451	0.4
125.25968	0.2
149.36784	0.2
169.01465	0.6
192.45915	0.2
193.93118	0.2
209.11978	0.2
235.58655	0.2
257.01190	0.2
300.99939	0.2
362.58691	0.2
492.66049	0.2
735.45703	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	786.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90513	0.1
56.18954	0.1
61.98837	100.0
62.98539	0.3
68.00802	0.1
70.81605	0.2
106.53712	0.1
259.53842	0.1
275.02127	0.1
787.63306	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	786.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
64.84203	1.0
71.25463	1.2
71.25829	1.4
94.81028	1.2
114.74364	1.1
140.63109	1.0
217.69995	1.3
397.02158	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	787.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24939	0.5
65.00332	0.6
67.01889	1.1
69.03444	1.9
69.17030	1.3
69.17433	4.1
71.01397	1.3
79.01883	0.9
83.01405	1.2
85.02938	1.0
95.01379	3.2
97.02959	2.8
99.00890	0.7
100.30985	0.7
107.01398	8.1
109.02968	0.9
111.00901	1.4
113.02477	1.5
121.02943	0.9
123.00896	8.3
124.01694	1.0
125.02460	80.5
126.02819	2.8
136.98853	1.2
137.02458	1.1
139.00409	2.7
140.01166	1.9
143.03548	0.9
149.02429	0.6
151.00406	2.7
161.02454	1.4
166.99887	2.0
168.00674	4.4
169.01442	100.0
170.01823	5.2
175.03978	0.6
177.01904	1.0
191.03575	0.8
193.01447	2.8
205.01414	1.1
205.05064	1.1
207.02919	0.6
211.02515	5.5
223.02553	1.4
235.02501	1.8
249.03940	0.8
271.04611	2.1
275.02054	1.2
277.03653	1.0
295.04700	6.2
300.99854	3.0
302.00226	1.9
303.00409	1.1
313.05728	6.1
447.05765	2.1
449.07114	1.0
465.06622	5.4
466.07272	1.2
483.07980	2.5
496.58096	0.8
561.56964	0.8
583.26263	0.7
617.07825	10.3
618.08569	1.1
634.98260	1.1
635.08954	23.8
636.09528	4.0
787.10071	28.0
788.10425	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	787.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00312	0.6
67.01882	1.2
69.03452	1.5
71.01379	2.1
79.01886	1.1
81.03472	1.1
85.02943	1.0
85.14164	0.7
95.01385	6.7
97.02963	2.5
101.02467	1.8
107.01411	8.2
107.05003	0.9
111.00886	2.2
113.02470	1.5
121.02946	0.7
123.00897	15.9
124.01665	2.6
125.02459	75.7
126.02785	2.8
133.02975	0.9
135.04517	1.1
136.98857	1.1
137.02472	1.4
139.00386	4.4
140.01181	4.1
141.01926	1.5
145.02971	0.8
147.04483	0.8
149.02480	1.1
151.00383	4.3
151.04050	0.8
161.02460	2.7
163.04031	2.3
165.01863	1.4
166.99905	4.8
167.03476	0.9
168.00661	8.1
169.01439	100.0
170.01744	4.3
175.03954	0.9
177.01921	2.6
179.03535	5.5
191.03503	2.7
193.01454	3.9
193.05080	0.9
205.01480	2.1
205.05083	0.9
207.03055	3.1
211.02478	5.1
215.03598	0.7
219.03227	0.6
219.42699	0.7
221.00917	2.0
221.04588	2.3
223.02589	1.3
229.29643	1.0
233.04576	1.2
235.02563	3.0
241.03618	1.7
249.04210	0.9
251.05823	0.9
271.04660	1.2
277.03610	1.4
279.05124	2.6
295.04666	6.7
296.04852	0.8
313.05655	18.4
314.06100	2.3
403.06879	2.4
421.07742	1.5
447.05505	5.3
448.06598	0.8
449.07477	2.8
465.06741	24.2
466.07172	2.8
494.24170	0.8
499.31851	0.8
573.08899	4.0
617.07843	48.6
618.08307	10.4
635.08923	6.5
636.08990	1.3
787.10046	16.1
788.09979	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	787.1006
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
59.74575	0.6
66.01634	0.7
67.01876	1.1
69.03447	2.4
70.87048	1.2
71.01398	0.9
79.01894	1.1
81.03472	0.7
85.02990	0.7
93.92696	0.7
95.01367	4.0
97.02959	2.6
101.02470	0.7
107.01411	8.5
109.02986	0.9
111.00889	2.4
113.02440	1.4
123.00903	9.2
124.01667	2.1
125.02460	88.3
126.02803	3.2
127.00368	1.3
136.98738	1.0
137.02440	1.2
139.00391	3.5
140.01167	2.6
146.07448	0.7
147.04381	0.9
149.02473	0.9
151.00392	1.8
161.02498	1.4
162.03339	0.8
166.99840	2.8
168.00691	6.3
169.01451	100.0
170.01778	4.0
179.03539	0.9
181.01500	1.6
193.01410	2.9
205.01489	1.5
207.02954	0.8
211.02510	4.9
223.02412	0.9
233.04626	0.8
235.02487	1.8
241.03610	1.2
253.03409	1.2
271.04443	1.2
277.03534	2.0
279.05240	0.8
295.04608	6.7
313.05676	7.7
423.05838	1.2
447.05722	2.2
448.06128	0.8
465.06671	8.1
466.06973	1.7
483.07791	1.1
617.07886	12.9
618.08698	3.4
635.09027	14.4
636.08997	3.2
787.10046	28.1
787.24774	1.4
788.10352	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	787.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07471	0.9
65.52725	1.0
67.01890	2.9
69.03451	2.7
71.01380	3.3
72.99313	1.1
79.01897	1.7
83.01402	1.1
85.02968	1.5
87.00877	2.0
95.01379	7.0
97.02972	3.7
107.01408	13.0
111.00868	4.7
113.02488	1.3
116.92860	1.2
117.11652	0.9
123.00902	24.3
124.01649	3.8
125.02460	91.2
126.02814	3.0
127.00395	1.5
136.98825	3.8
137.02493	1.2
139.00388	9.6
139.04045	1.1
140.01213	7.5
151.00377	5.1
151.04027	1.2
153.01956	2.7
154.02744	2.9
157.28716	0.9
160.20761	1.0
163.03943	1.1
165.40736	0.9
166.99879	6.5
167.33853	0.9
168.00653	10.4
169.01443	100.0
170.01808	4.1
171.63623	1.0
175.04008	1.7
177.01999	1.0
183.02983	3.0
191.03510	1.8
193.01466	3.1
193.05122	1.4
203.03676	1.2
211.02478	1.9
223.02452	1.2
232.68207	1.1
271.31177	1.0
279.05066	1.1
295.04730	3.4
297.06277	4.3
300.99799	1.2
313.05652	11.6
314.06009	1.2
433.07285	1.1
447.05502	1.6
449.07275	2.0
465.06906	4.5
465.51410	1.0
483.11359	1.7
617.07990	17.0
618.09277	3.2
635.12665	14.2
636.13196	2.8
711.20245	1.4
787.13702	58.0
788.14148	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	787.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30234	1.3
67.01900	2.2
69.03471	1.6
71.01382	3.2
76.46033	1.2
79.01860	1.6
80.06208	1.2
85.02980	2.3
95.01421	5.2
97.02956	3.4
98.22645	2.2
107.01380	11.4
107.19843	1.2
111.00912	4.6
123.00896	16.8
124.01715	2.7
125.02460	89.5
126.02810	3.4
136.98816	2.3
137.02464	2.1
139.00366	7.7
140.01187	5.5
142.88397	1.2
144.97545	1.4
149.02402	1.9
151.00369	6.9
151.29855	1.2
153.01912	1.3
165.02019	1.4
166.99846	6.0
168.00688	7.0
169.01439	100.0
170.01796	5.4
179.03459	1.4
191.03497	1.9
193.01434	4.1
211.02632	3.2
225.67967	1.3
228.87247	1.5
277.03519	1.3
295.04645	3.3
297.06253	4.8
300.99997	1.8
301.03360	1.9
313.05759	12.5
411.19498	1.6
420.63937	1.4
449.06946	3.2
465.06921	6.5
582.43463	1.4
617.07843	24.2
618.08331	5.7
635.12219	5.0
781.66547	1.6
787.13708	60.3
788.14026	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14445	8.9
61.98820	23.5
80.88987	8.5
98.22564	38.8
121.91402	9.8
125.02473	35.8
136.14268	10.5
151.79584	9.0
169.01436	26.4
206.39735	8.5
227.03517	41.3
230.10269	15.0
255.02888	52.0
256.03479	10.0
284.03329	58.1
285.04056	68.4
501.10458	100.0
791.88184	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	787.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33242	1.5
67.67514	1.5
73.54385	1.6
89.35061	1.8
148.01683	1.7
151.00316	6.2
178.99866	2.5
243.03018	9.2
255.02982	19.8
271.02478	47.3
272.02921	4.8
300.02780	100.0
301.03378	21.7
475.08386	3.2
517.09888	91.8
518.10583	14.2
573.37396	2.1
735.95215	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	787.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00555	0.9
59.01384	37.5
69.00916	2.0
69.01322	5.6
71.01397	6.9
72.99333	0.9
73.02576	1.0
73.02950	11.0
78.94122	0.8
83.15131	0.7
85.02952	4.4
87.00893	3.6
87.04520	2.1
89.02451	5.6
101.02454	12.0
103.04010	4.3
115.04044	3.6
119.03505	2.6
125.02452	22.5
129.05618	3.7
131.03503	6.4
143.03503	7.2
163.06116	7.8
169.01442	27.3
170.01727	1.5
194.35136	0.7
205.07162	10.4
206.07523	0.9
240.56471	0.7
262.76828	0.7
277.95749	0.7
321.33099	0.8
331.06732	6.3
405.69415	0.7
455.17740	100.0
456.18066	13.7
577.80457	0.8
689.29413	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	787.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56204	1.9
59.01382	21.7
61.98834	3.3
71.01385	21.2
71.26720	2.2
71.27132	2.0
73.02954	3.8
83.01421	2.3
85.02959	10.2
89.02462	12.6
95.01393	2.7
96.95981	2.2
101.02432	9.7
106.06650	3.7
113.02490	6.2
119.03535	4.7
122.06136	11.9
125.02472	6.2
134.06143	39.9
144.88513	2.3
149.02440	3.1
152.07204	6.4
160.04057	2.4
169.01384	5.4
190.05061	2.5
211.08853	3.0
213.10394	2.5
215.11958	4.2
225.10399	3.5
227.12018	2.8
237.07002	2.6
243.76727	2.1
251.08246	5.6
254.94489	2.2
263.08301	3.0
263.11954	2.2
264.09152	2.6
265.09860	5.8
277.09924	5.1
278.10464	4.1
283.10913	2.0
307.11069	2.7
314.12622	3.1
337.12146	2.8
346.90686	2.1
358.15649	4.4
359.16666	3.6
360.17233	3.6
373.13574	2.4
373.33228	1.9
384.17322	2.9
386.15137	7.6
398.15128	2.6
399.33075	2.2
408.23187	2.5
428.16193	3.7
460.18750	5.4
466.66293	2.2
472.18781	2.5
607.25348	2.5
664.25146	2.4
666.26416	10.7
667.27661	2.9
687.30170	4.3
713.28448	6.1
714.29102	3.5
725.37860	2.4
737.27924	2.2
755.29352	22.2
756.29688	5.3
769.31171	3.0
787.32050	100.0
788.32562	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	81.2
63.67760	64.2
71.25869	95.3
71.26302	81.6
83.96869	61.9
123.42050	84.9
133.48453	75.2
159.08044	72.3
169.01401	75.1
354.96542	85.1
371.13266	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	787.405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14570	7.0
59.01376	14.7
61.98840	100.0
67.89384	7.6
70.87579	7.9
70.87894	11.8
154.43123	7.4
199.79802	8.0
209.11890	15.9
211.13492	8.2
223.13388	59.8
246.47623	7.2
291.19604	48.3
309.20758	90.4
456.52612	8.5
466.42212	8.7
787.40045	31.7
788.40381	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	787.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
57.03456	2.1
59.01381	13.3
59.28507	1.8
61.68532	1.8
61.98835	52.9
65.85383	1.8
69.03429	2.8
70.18310	8.4
71.01380	13.5
71.05035	6.6
71.80325	1.9
73.02952	3.6
78.91891	2.1
80.33079	2.4
82.95434	5.6
83.05023	5.3
85.02953	6.9
87.00865	3.3
89.02468	5.3
96.96033	9.7
97.02969	7.7
97.06595	4.0
98.22268	3.7
99.00896	26.1
99.08207	2.0
100.21708	1.9
101.02457	8.7
109.06573	2.6
113.02485	2.6
116.92942	2.2
123.08205	3.4
124.16325	2.0
125.02472	4.3
125.09726	11.4
126.27183	1.8
127.07636	3.5
142.02705	2.7
153.09225	4.8
161.09840	2.0
163.11250	16.9
166.67706	2.4
169.01483	5.8
171.10283	26.8
181.12346	30.6
185.11844	4.9
197.11835	13.8
199.13419	17.6
201.11322	3.5
207.10278	39.4
208.10603	3.1
209.11842	35.9
210.12090	3.3
225.11328	54.5
226.11720	4.2
227.12975	4.5
235.08286	3.3
243.12378	38.6
253.09360	7.4
284.78958	2.2
300.99933	2.8
307.19095	9.9
325.20300	5.4
327.21844	2.8
341.23563	4.5
461.20255	4.9
479.21500	16.0
543.28473	3.2
561.29590	2.3
769.40393	15.6
770.39978	3.1
787.41364	100.0
788.41803	31.3
790.24219	2.7
805.51306	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	787.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20887	27.7
61.90390	34.0
71.26944	30.0
71.27324	43.1
75.94754	26.8
91.29934	30.2
96.75763	27.2
140.01334	29.4
140.52368	30.6
148.38786	32.6
173.89494	28.7
209.11855	93.6
291.19717	100.0
309.20728	63.2
309.68591	30.8
679.47498	33.0
752.73981	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	23.8
66.95827	9.8
68.99558	9.4
70.06084	8.7
71.28683	14.5
78.95921	18.7
80.91679	15.5
92.94267	7.9
98.45369	8.0
101.02428	10.7
125.02464	26.4
169.01472	21.0
209.11815	100.0
227.12871	16.0
251.25771	9.1
259.15604	12.0
291.19638	17.9
309.20792	64.4
316.77817	10.1
482.47330	9.7
524.35950	8.8
637.96149	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	788.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.01397	0.6
71.25008	0.4
99.74181	0.3
125.48549	0.3
209.12054	0.3
237.11096	0.3
487.14938	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	789.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18111	1.6
59.01364	3.6
69.03470	1.6
70.02979	2.1
71.01390	4.5
74.02482	24.1
85.02949	1.8
97.15514	1.3
98.02486	4.0
101.02415	2.8
107.01418	8.0
111.00875	3.9
116.03548	12.7
123.00874	9.5
124.01681	1.6
125.02463	78.3
126.02782	3.1
128.03496	1.5
132.04559	9.3
136.98804	2.1
137.02438	2.1
139.00423	7.2
140.01239	7.1
144.04585	1.6
151.00383	7.5
153.01929	2.8
154.02711	1.5
155.03523	2.5
165.01855	1.7
168.00682	10.2
169.01447	100.0
170.01804	4.5
179.03481	1.8
182.44402	1.3
183.02974	1.7
192.90077	1.4
193.01337	2.0
201.06718	3.3
211.02502	18.2
233.67014	1.6
241.03516	3.7
261.08810	17.0
271.04572	18.0
297.06430	2.0
313.05695	43.1
314.05923	4.5
331.06708	4.3
336.17664	1.4
349.61261	1.4
483.07901	92.0
484.08325	12.2
484.13016	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	789.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
66.25699	0.6
71.01376	1.6
71.26654	0.8
71.27010	0.7
71.75940	0.6
74.02482	4.6
95.01380	1.4
95.22282	0.7
101.02403	0.9
101.63415	0.7
102.94878	0.7
107.01392	5.0
111.00866	2.1
113.02509	0.8
116.03561	0.8
123.00890	4.6
124.01656	1.5
125.02467	41.8
126.02779	1.7
132.04546	0.7
136.98886	1.0
137.02400	1.3
139.00417	4.1
140.01138	3.2
146.49275	0.7
149.02341	1.1
151.00395	2.1
151.33923	0.8
153.01920	1.0
165.01962	1.3
166.99829	1.1
167.03497	2.2
168.00648	12.5
169.01445	56.0
170.01779	2.0
181.01474	1.4
183.02934	1.5
183.90436	0.7
193.01454	13.0
205.01108	0.7
211.02504	42.8
212.02789	2.8
241.03595	2.1
260.09592	0.7
261.08798	2.5
269.53204	0.7
271.04636	29.5
272.04816	1.5
295.04535	0.9
301.00012	1.2
313.05649	6.3
314.05939	1.1
331.06726	3.4
358.55991	0.7
439.08994	4.1
440.09650	0.8
445.83844	0.7
465.06683	1.6
483.07819	100.0
484.08203	14.3
496.30957	0.8
639.38611	0.8
725.77423	0.9
790.39093	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	789.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.5
65.99612	0.3
70.02979	1.6
71.27567	0.3
74.79203	0.3
75.00874	0.3
82.02981	1.6
83.01394	1.0
91.04969	0.3
91.05537	0.8
92.05074	8.3
96.00920	0.8
96.96029	1.4
97.01731	0.7
98.02486	11.2
99.00962	0.3
107.03793	0.4
109.01685	0.3
110.02514	1.5
111.03284	2.3
116.05102	0.3
117.03471	1.1
118.03037	0.4
118.06650	1.7
121.22376	0.3
126.74989	0.3
129.00648	0.4
130.06625	3.8
131.05000	0.5
132.00710	0.6
132.04610	0.4
135.03294	2.3
136.00238	0.3
136.04054	4.7
144.04585	0.4
146.06126	2.2
147.04532	1.2
148.07677	0.9
157.06631	0.4
158.02211	0.4
158.06108	0.5
158.09779	0.7
162.02002	0.9
164.07207	1.4
171.05588	0.3
173.07307	1.4
174.05618	9.9
175.05986	0.7
176.02010	0.7
176.03340	7.8
176.07176	1.4
177.03665	0.4
184.07722	2.3
189.00493	0.2
190.01260	2.5
190.05113	0.8
198.01788	1.6
198.05351	2.0
200.03409	0.3
200.07147	4.0
201.07947	0.3
202.08751	7.4
203.09050	0.4
208.19295	0.3
213.06465	1.1
214.04950	0.7
218.04633	3.7
219.04825	0.4
220.02333	3.3
224.06984	1.5
225.06543	0.8
240.06555	0.4
242.04440	1.7
242.08006	1.2
246.07697	0.7
257.05551	0.3
257.10657	0.3
268.05917	7.2
268.08612	0.5
269.05490	2.3
286.06992	3.9
288.10074	0.5
299.12030	0.3
302.05237	1.4
312.04855	2.5
313.05460	0.4
317.12637	0.9
330.06036	3.1
331.06403	0.6
343.10712	2.2
361.11633	2.6
362.11981	0.4
379.11453	0.5
383.12552	0.7
387.09702	1.0
405.10703	100.0
406.11014	12.8
423.10425	0.7
444.91080	0.3
591.20898	0.3
639.82990	0.3
771.20984	0.5
789.22864	2.6
790.22375	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	789.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77675	2.4
59.01373	6.6
61.98843	21.2
62.22171	2.2
69.40083	18.9
71.01372	9.8
78.95903	3.1
80.91703	6.6
82.95434	14.7
83.05006	4.6
89.02419	6.6
93.71127	2.5
96.96009	11.7
101.02448	3.4
106.49234	2.6
111.96851	2.5
113.02477	3.0
116.92874	6.1
125.09782	2.9
127.11255	4.1
153.09232	8.2
163.11317	5.4
171.10246	18.2
181.12338	5.1
185.11864	3.4
197.11876	5.8
201.11353	33.7
205.37663	3.2
207.10245	8.3
209.11855	100.0
210.12259	7.1
210.21245	2.6
211.13367	4.9
213.14958	3.6
225.11327	14.6
227.12941	15.9
235.08360	3.9
238.37512	2.5
243.12320	3.7
244.47818	2.6
253.09274	13.1
259.03671	2.7
289.18069	4.8
307.19171	32.0
308.19543	3.2
325.20270	15.0
327.21869	2.8
461.20313	3.0
543.28088	9.6
613.41583	3.2
689.33649	6.5
692.73047	3.1
753.40564	3.2
817.03046	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	791.096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91661	1.9
62.95013	1.9
77.70607	2.0
84.01283	2.0
85.02939	4.5
86.45578	1.7
98.21796	5.2
98.23287	1.8
108.22604	2.0
117.88512	2.2
119.05035	3.0
123.00877	2.4
125.02473	5.5
137.02469	2.8
145.02963	5.8
147.04561	5.8
149.02423	3.5
154.04874	2.2
157.02975	2.1
159.04497	2.2
161.02417	3.2
163.04033	4.2
163.70065	1.9
169.01443	4.6
169.02919	1.7
171.24988	2.2
173.02432	6.9
175.00459	2.3
175.04034	8.1
177.01971	8.1
178.97638	2.4
185.02425	4.1
189.01921	8.0
190.02745	10.3
191.01974	4.2
191.03531	32.5
201.01935	13.6
203.03546	11.6
204.99651	2.0
205.01460	5.8
205.05022	2.6
213.02049	2.4
217.01482	10.3
218.02187	7.7
219.02983	28.2
221.04465	2.6
222.01596	4.4
229.01419	27.6
230.01813	2.3
231.03041	6.6
245.00983	7.9
246.01743	4.3
247.02475	78.5
248.02841	8.0
249.03973	6.9
255.40646	2.0
257.01044	13.9
258.01508	5.3
263.01913	3.1
273.00360	7.1
275.01993	60.6
276.02344	5.8
283.99582	2.5
288.99902	2.1
291.01422	3.3
293.03079	2.3
299.99295	2.4
300.99918	100.0
302.00232	9.5
312.17810	2.4
328.47421	2.1
333.02646	2.5
336.21906	1.9
337.02164	3.7
393.04626	3.8
394.05444	2.4
435.05444	3.5
453.06784	17.9
454.06827	2.9
479.04535	4.1
519.61743	2.5
729.08783	2.9
755.07324	59.3
756.07465	15.4
773.08392	4.2
813.79236	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	791.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
65.00327	5.8
71.28331	2.1
75.96608	1.3
83.01386	4.6
93.03465	2.1
95.01419	1.3
97.02947	3.4
107.01413	6.0
109.02954	5.7
119.05073	1.7
121.02953	5.2
123.00921	2.4
123.04519	2.7
125.02456	15.6
133.02966	1.4
135.00833	1.3
135.04533	1.8
137.02452	4.8
139.03902	1.4
145.02969	2.9
147.04526	4.1
149.02475	5.1
151.00383	21.6
151.04063	4.0
159.04524	5.5
161.02464	5.8
161.06073	1.4
162.03125	1.3
163.00427	7.4
163.04047	2.8
165.01955	12.3
165.05571	1.4
169.01468	6.5
173.02477	3.0
175.04031	15.5
177.01904	7.0
179.34145	1.1
183.04424	1.6
185.02498	1.4
187.04042	7.6
189.01923	2.0
189.99123	1.6
191.03522	28.9
192.03833	2.0
193.01395	1.8
201.01897	4.0
201.05560	2.1
203.03549	14.7
204.00595	1.4
205.01491	2.6
205.05072	4.5
211.03976	3.2
217.01447	14.0
218.01909	1.3
219.03026	4.9
221.04700	1.3
225.05643	1.7
227.03535	1.7
229.01498	15.8
229.05069	9.1
230.01759	2.1
231.03061	5.6
232.00146	10.8
243.03064	2.4
245.00977	3.0
245.04520	2.0
247.02512	100.0
247.06441	2.7
248.02846	6.7
253.05118	3.1
261.00394	1.8
269.04483	2.1
271.02490	1.8
271.06216	1.9
273.00366	3.2
273.03625	2.2
279.05246	2.0
285.04019	1.7
289.07224	1.8
297.04071	12.2
299.01959	2.2
313.03635	1.8
315.05121	34.5
316.05331	3.7
333.06055	1.5
411.03506	3.0
467.06146	2.9
501.08536	4.1
502.08368	1.6
517.65350	1.6
519.09418	18.1
520.09723	2.5
545.07196	12.8
546.07587	2.4
563.08368	84.8
564.08746	19.5
654.45178	1.5
715.09277	7.0
716.09894	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	791.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65137	0.7
69.03453	2.9
70.41348	2.3
71.01368	1.7
81.03448	1.3
93.03474	4.4
95.01444	0.7
97.02970	2.1
106.82897	0.8
107.01406	1.2
111.04523	3.3
115.00401	0.9
121.02952	4.4
123.00907	1.1
124.01693	1.3
125.02466	80.9
126.02761	3.7
137.02483	2.2
139.00398	0.9
140.01135	0.9
140.07634	0.8
153.05597	2.2
155.03462	0.9
168.00656	2.9
169.01445	100.0
170.01767	4.6
197.04587	7.9
201.05597	4.0
236.88246	0.8
245.04645	1.0
307.04559	1.6
325.05685	6.4
448.76248	0.8
477.06793	68.8
478.07162	9.3
731.14679	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	791.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06126	40.5
61.01499	38.1
61.98820	47.1
70.91250	66.6
70.91588	47.2
73.79096	32.8
76.57786	35.7
78.41171	38.2
78.95891	77.6
116.92843	99.0
130.68477	38.0
152.99586	42.7
160.04985	36.5
197.11671	38.5
209.11784	100.0
309.20953	46.0
404.88489	41.7
456.53183	43.2
591.93231	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74080	100.0
77.63251	44.4
78.52948	42.0
79.22115	41.1
95.79319	47.6
112.80317	50.5
209.11937	57.0
277.21808	65.3
298.79904	48.5
300.45871	48.3
335.40128	48.2
392.41513	50.6
540.81305	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31205	1.5
57.03450	13.5
59.01389	1.6
64.25966	1.5
73.21179	1.5
81.12499	1.5
83.01385	3.7
93.03462	2.0
97.02985	2.7
107.01485	2.0
109.02952	14.5
117.09367	1.4
121.02979	3.6
123.00917	4.0
123.04553	9.7
125.02461	100.0
126.02786	3.7
133.03000	4.0
135.04518	3.7
137.02460	20.7
139.03989	2.4
145.02980	6.5
146.03737	1.8
146.91849	1.4
149.02437	3.8
151.04042	12.7
154.91814	1.5
159.04518	7.0
161.02470	24.0
161.06082	4.4
163.00407	3.7
163.03992	3.0
164.01202	2.6
165.01935	4.8
167.03448	2.0
169.01442	26.2
175.03984	10.4
176.01141	1.9
177.01950	11.2
179.03535	4.7
185.06126	3.7
187.03958	7.8
187.24971	1.8
193.01433	2.7
201.01935	2.3
202.06274	2.0
203.03416	2.5
203.07069	8.1
205.05075	4.7
211.03954	2.0
217.05150	2.4
219.03014	1.9
221.08267	1.9
227.03479	3.8
227.07294	1.9
229.05127	2.6
243.03008	6.9
245.04594	6.0
245.08229	11.5
253.04990	2.5
255.02998	8.0
256.00681	1.5
256.03723	6.8
269.04565	3.1
271.06140	9.3
273.04211	2.0
281.04584	3.0
283.02597	2.8
285.04050	4.3
287.05688	7.2
289.07242	45.0
290.07513	5.3
303.04984	2.2
389.06616	5.7
407.07770	76.7
408.08011	13.3
425.08856	5.9
433.09662	2.9
441.08313	19.2
442.08664	3.7
451.10382	14.5
452.10532	2.1
559.08154	8.9
560.08954	1.9
577.12689	12.2
578.13715	4.1
603.11755	5.4
729.14856	22.9
730.14618	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	793.112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
61.14991	1.0
62.20456	1.0
70.78445	1.3
70.78755	1.4
72.99303	1.5
87.00888	7.8
94.30083	1.0
95.67464	1.0
103.00388	3.5
111.81696	1.1
112.98827	9.5
119.05047	47.2
120.05351	2.9
149.00945	23.5
163.04030	100.0
164.04329	5.1
181.60748	1.1
295.04617	23.4
296.04871	3.0
300.99704	1.5
492.88721	1.1
518.97192	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	793.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
72.99313	6.7
81.40069	0.8
87.00882	13.5
98.22514	3.2
99.29018	0.9
103.00380	5.5
105.01968	0.9
112.98839	1.9
119.05039	43.8
120.05359	1.7
122.05217	0.8
130.99846	1.8
146.75331	0.8
149.00934	100.0
150.01270	2.7
163.04025	55.6
164.04350	2.8
225.46971	0.8
295.04614	13.6
296.04764	1.8
336.59921	0.8
410.45544	0.8
717.63464	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	793.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	12.9
62.27483	7.0
70.59332	19.0
71.01015	6.9
72.55212	7.1
104.88460	8.6
180.59386	8.2
197.11847	97.5
198.12051	7.8
201.72885	7.9
253.09338	14.8
291.19662	30.9
293.20975	8.1
309.20773	100.0
310.21048	15.2
362.72452	8.3
433.21249	8.0
527.28497	10.2
542.25275	8.3
545.29791	13.4
675.07703	8.9
725.41278	44.0
726.41510	12.1
793.41083	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	794.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21688	2.0
59.01375	6.4
61.98832	2.0
65.79610	1.6
69.03447	2.2
71.01380	3.9
80.98991	1.6
85.47823	1.7
89.02448	2.6
98.22609	3.9
101.02451	2.8
111.08157	7.6
112.62270	1.9
113.02464	2.5
157.64253	2.1
161.04640	2.1
167.10872	2.1
179.14456	3.4
183.91841	1.7
190.53108	1.8
195.13882	8.6
197.11861	40.5
198.12267	2.6
199.13374	2.2
205.12367	8.0
211.13452	5.9
223.13406	100.0
224.13719	8.6
235.08186	6.3
253.09326	22.1
254.09767	2.3
263.20013	2.9
291.19727	19.4
292.19937	1.8
300.99948	2.2
309.20743	63.8
310.21045	4.7
459.22375	13.6
460.22653	2.0
642.06500	2.1
810.33112	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	794.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.1
61.98817	6.7
62.81613	6.3
69.86153	6.8
70.37997	14.6
70.38383	9.7
71.01367	15.8
77.23850	6.1
83.05022	6.1
101.02415	9.1
143.18462	6.8
167.10861	6.9
169.01309	9.8
195.13956	14.4
205.12303	12.1
221.11855	28.7
223.13420	94.7
224.13725	7.5
235.08170	9.2
239.12926	12.6
247.02466	9.4
253.09259	13.2
291.19754	32.3
292.19897	8.3
293.21347	19.9
309.20700	100.0
310.20993	16.2
441.27313	7.1
545.29382	16.0
751.42102	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	794.435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38840	2.0
59.01381	7.4
61.98833	5.6
62.79738	2.2
71.01384	5.6
89.02453	4.6
98.22605	5.0
101.02452	5.1
119.03517	2.3
132.20750	2.1
161.04630	2.7
163.11320	3.5
165.12904	3.9
167.10844	4.0
179.14442	4.0
181.12375	3.3
195.13940	6.4
205.12381	8.1
223.13412	88.8
224.13768	6.9
229.23267	2.5
235.08292	3.0
247.20665	5.9
253.09282	13.7
273.18561	2.7
291.19684	70.7
292.20102	10.3
309.20740	100.0
310.21060	11.4
327.48734	2.4
362.92410	2.1
379.44565	2.1
403.91275	2.1
459.22226	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	795.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
62.43390	0.5
64.13053	0.5
65.00314	1.3
71.01388	12.6
71.02000	0.6
71.31311	0.6
71.61214	0.5
83.01401	1.4
89.00340	1.6
91.01881	0.7
95.01365	1.1
101.61906	0.6
106.00603	2.1
107.01428	1.0
109.02917	0.7
111.00876	0.8
115.00383	6.6
121.02967	32.3
122.03326	1.5
123.00886	3.2
125.02466	14.2
126.02806	0.7
126.85503	0.5
127.00405	0.5
136.98895	0.6
137.02469	1.9
138.03223	2.1
139.00394	0.8
139.03984	1.5
151.00404	3.7
152.01141	0.6
153.01964	3.0
153.05585	23.2
154.05939	1.2
159.04488	0.5
161.02507	0.6
165.01910	2.7
166.99890	1.9
167.03494	2.9
169.01427	3.2
169.28697	0.6
175.00461	0.6
177.01901	0.8
178.99883	4.5
182.02238	4.5
187.03961	0.6
191.03513	1.5
192.00803	0.6
193.01422	12.3
197.04565	100.0
198.04883	6.3
233.04576	1.3
255.02968	1.1
257.00882	0.7
275.05710	0.9
283.02386	4.0
301.03629	2.0
313.05673	6.5
355.06708	4.8
356.07111	0.8
393.11752	0.7
463.08862	10.2
464.09024	0.9
481.09943	22.3
482.10321	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	795.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
62.43390	0.5
64.13053	0.5
65.00314	1.3
71.01388	12.6
71.02000	0.6
71.31311	0.6
71.61214	0.5
83.01401	1.4
89.00340	1.6
91.01881	0.7
95.01365	1.1
101.61906	0.6
106.00603	2.1
107.01428	1.0
109.02917	0.7
111.00876	0.8
115.00383	6.6
121.02967	32.3
122.03326	1.5
123.00886	3.2
125.02466	14.2
126.02806	0.7
126.85503	0.5
127.00405	0.5
136.98895	0.6
137.02469	1.9
138.03223	2.1
139.00394	0.8
139.03984	1.5
151.00404	3.7
152.01141	0.6
153.01964	3.0
153.05585	23.2
154.05939	1.2
159.04488	0.5
161.02507	0.6
165.01910	2.7
166.99890	1.9
167.03494	2.9
169.01427	3.2
169.28697	0.6
175.00461	0.6
177.01901	0.8
178.99883	4.5
182.02238	4.5
187.03961	0.6
191.03513	1.5
192.00803	0.6
193.01422	12.3
197.04565	100.0
198.04883	6.3
233.04576	1.3
255.02968	1.1
257.00882	0.7
275.05710	0.9
283.02386	4.0
301.03629	2.0
313.05673	6.5
355.06708	4.8
356.07111	0.8
393.11752	0.7
463.08862	10.2
464.09024	0.9
481.09943	22.3
482.10321	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	795.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.4
67.01902	1.2
67.39561	0.9
69.03448	1.4
69.16392	6.0
71.01379	2.8
73.70370	0.7
79.01896	0.9
81.03419	1.0
85.02891	0.8
88.98835	0.9
95.01420	2.3
97.02966	1.8
101.58659	0.8
107.01400	31.8
108.01768	1.0
109.02959	1.1
111.00905	3.2
117.04819	0.8
121.02978	1.5
123.00902	11.4
124.01675	3.0
125.02466	84.5
126.02785	3.5
127.00392	1.9
134.03778	1.0
136.98814	2.9
137.02448	1.0
139.00394	6.2
139.04030	5.5
140.01184	6.9
141.01965	1.0
150.03259	1.5
151.00366	6.3
159.04523	1.9
160.05333	2.2
161.06062	1.4
166.99883	1.3
167.03648	0.9
168.00682	11.0
169.01447	100.0
170.01813	4.2
175.07668	1.1
177.05542	1.1
183.02997	23.3
192.04259	0.8
193.87556	0.9
211.02486	1.5
219.02797	0.9
222.15858	0.8
233.80936	0.9
241.03601	1.1
288.08447	0.9
297.11401	0.9
313.05707	12.6
314.06207	1.4
315.12341	1.9
327.07257	0.8
329.13934	2.5
481.15109	7.4
482.15424	1.5
625.19312	1.2
634.84985	1.0
643.20367	48.3
644.20728	11.0
795.21448	52.4
796.21729	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35932	0.3
59.01371	0.5
60.99311	18.0
61.98820	1.8
70.61313	1.1
85.00462	0.4
87.00879	0.5
88.98813	100.0
89.02451	1.5
89.99133	1.1
99.27964	0.5
110.56240	0.4
116.92908	0.5
125.02451	0.6
130.82498	0.4
133.19920	0.4
155.25717	0.4
169.01437	0.6
182.02339	0.4
209.11858	1.1
231.23463	0.4
275.01886	0.6
300.99924	0.9
337.75119	0.5
354.75870	0.4
452.45218	0.4
459.35626	0.4
606.31403	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	795.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
68.96638	1.5
73.02935	0.6
74.00827	0.1
75.00883	1.0
99.00889	0.2
99.92595	9.6
100.92614	0.5
105.90749	0.1
114.93425	0.3
115.00447	0.1
116.92873	100.0
117.01949	1.4
117.92881	5.6
125.02467	0.4
165.05653	0.2
167.40895	0.1
169.01419	0.4
170.01749	0.1
262.21579	0.1
305.65308	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	797.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77174	0.8
61.85523	1.0
65.00317	2.7
69.50839	4.5
69.51248	1.7
75.02408	1.0
80.95885	1.0
89.04001	0.9
93.03439	1.0
95.01433	1.0
98.22460	1.3
101.04031	1.1
105.03449	1.3
109.02941	1.1
115.01923	1.7
117.03509	5.7
119.01383	1.4
119.05057	2.5
121.02940	1.6
123.00936	1.7
123.92110	0.9
125.02464	1.4
129.03464	1.4
131.01399	4.0
133.02953	6.0
137.02490	1.1
137.87140	0.9
142.15163	0.9
143.01401	1.3
145.02956	12.2
146.03300	1.2
147.00899	3.6
147.04535	3.9
149.02469	1.3
157.02960	2.9
159.00873	4.5
159.04553	1.2
160.01660	1.5
160.43697	0.9
161.02434	10.8
163.00395	4.4
163.01686	0.9
163.04022	9.4
171.00890	3.4
173.02458	11.0
175.04071	5.1
177.01895	6.8
179.03511	1.7
185.02478	3.8
187.00374	15.7
187.04070	1.1
188.00932	1.7
189.01967	14.9
190.02623	2.8
190.99904	4.2
191.03528	11.0
199.00438	2.0
200.01141	1.6
201.01947	10.6
202.99916	1.7
203.03522	6.9
205.01416	1.7
213.01889	1.8
213.99081	2.0
214.02829	0.9
214.99872	19.6
215.01787	1.5
216.00584	3.9
217.01421	16.2
218.01978	1.6
218.99442	1.3
219.03024	4.9
221.04677	1.1
226.99829	4.4
229.01433	14.0
230.02023	1.5
231.03021	6.0
232.00032	1.2
233.00899	1.5
235.02499	3.5
241.01462	1.0
242.99373	15.8
243.03070	1.3
243.99933	2.5
244.98415	1.5
245.00917	25.3
246.01363	3.2
247.02475	19.9
249.04120	6.4
257.00928	7.3
258.01608	2.5
258.99051	1.8
259.02527	2.2
259.99557	2.4
261.00388	15.0
262.00751	1.3
263.02005	3.3
270.98874	26.5
271.02036	1.7
271.99356	2.9
273.00433	25.3
274.00946	2.5
275.02014	24.8
276.02286	2.9
283.99722	2.3
285.00293	1.5
286.98505	7.3
287.01343	1.4
288.99994	2.1
291.01373	6.0
298.98349	33.1
299.98990	8.8
300.99933	100.0
302.00189	9.3
306.13367	0.9
316.99481	2.0
405.04639	4.2
423.05362	1.0
431.02515	2.6
449.03668	7.3
707.05347	2.7
733.03461	4.2
743.01141	1.4
746.41077	1.1
751.04297	9.5
752.04498	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	797.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01384	0.3
65.23005	0.2
69.24933	1.3
74.00362	0.2
77.93625	0.2
79.95748	1.6
87.99607	0.2
96.96021	100.0
97.95360	0.1
97.95956	0.6
98.22587	0.3
115.12913	0.2
125.02470	1.5
126.02762	0.3
137.02522	0.2
140.15970	0.2
161.02409	0.3
169.01454	0.9
175.03976	0.2
178.43983	0.2
179.07152	0.3
180.71957	0.2
319.04941	27.4
320.05212	2.1
393.33713	0.2
564.25061	0.2
639.58594	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	797.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
66.73050	0.4
67.01873	0.7
69.03461	1.4
70.82565	0.4
71.01389	7.1
73.14588	0.3
81.03481	0.5
83.01346	0.4
85.02981	0.4
87.61681	0.4
89.00333	0.6
91.01889	0.6
95.01406	0.7
97.02954	0.9
98.22619	0.9
106.00606	0.8
107.01389	1.8
111.00866	0.6
115.00360	2.7
121.02971	14.4
122.03315	0.5
123.00892	3.0
124.01696	0.6
124.50130	0.4
125.02461	64.1
126.02809	2.4
127.00323	0.6
128.35852	0.4
136.98727	0.6
137.02428	0.6
138.03209	0.8
139.00391	1.6
140.01143	0.8
141.01971	0.4
145.77315	0.4
151.00392	1.9
151.04001	0.5
153.01967	0.5
153.05595	10.2
154.05969	0.4
166.99899	0.9
168.00685	1.5
169.01442	100.0
169.77069	0.4
170.01770	4.1
182.02260	2.2
197.04564	39.7
198.04892	2.4
211.02496	0.9
241.03421	0.5
245.00963	0.6
270.98828	0.6
297.36182	0.4
298.98380	0.7
300.99841	1.3
313.05682	28.1
314.05945	2.7
331.06741	3.0
332.07068	0.5
358.45117	0.4
465.06680	0.4
483.07855	68.0
484.08194	11.3
680.19977	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	797.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
66.51876	1.0
69.01115	1.3
69.01514	9.1
69.03455	1.2
71.01381	4.5
75.67844	0.9
81.71783	0.8
82.07766	0.9
85.02965	2.9
96.82632	1.0
97.02947	1.2
98.21783	1.6
101.02409	1.4
107.01399	5.0
111.00871	3.5
115.00343	1.7
121.02950	7.9
121.43420	0.8
123.00910	5.2
124.01705	2.3
125.02468	51.9
126.02779	2.6
136.98814	2.5
137.02386	1.4
139.00386	3.4
140.01155	3.3
142.44852	0.9
145.03049	1.0
151.00380	3.4
153.01823	1.4
153.05569	5.0
155.46774	0.9
163.04001	1.2
163.44023	0.9
165.01938	2.6
168.00673	13.3
169.01445	57.7
170.01785	3.3
182.02237	2.7
183.02950	1.5
193.01424	13.3
194.01830	1.1
197.04549	16.5
198.04808	1.3
211.02493	42.7
212.02798	3.4
214.89871	1.0
241.03468	1.3
271.04605	31.1
272.04877	1.6
273.00388	1.0
275.01843	1.2
287.07645	1.5
298.98309	2.5
300.99924	2.9
312.99860	1.0
313.05634	10.3
331.06723	4.9
439.08878	6.3
465.06711	3.2
483.07861	100.0
484.08279	17.0
626.64630	1.2
763.26532	1.0
797.13470	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	797.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82834	1.4
68.97469	14.6
68.97870	3.2
71.01388	14.5
71.11028	1.2
73.65947	1.2
88.20791	1.4
89.00330	1.8
96.96025	12.7
98.21799	2.8
106.00629	1.7
107.01405	2.1
115.00404	7.0
121.02975	36.8
123.00905	4.2
125.02463	8.2
128.67827	1.4
139.00417	4.5
140.01157	2.0
153.05605	28.6
154.02748	2.7
168.00633	1.4
169.01427	6.6
182.02220	4.6
197.04565	100.0
198.04900	6.4
225.04082	1.5
270.27399	1.8
313.05685	5.6
319.04968	3.8
370.19672	1.6
483.11487	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	798.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
59.89699	0.6
61.98851	0.6
63.50925	0.4
71.01389	2.2
80.02706	0.6
83.05030	2.7
84.02180	0.7
87.00874	0.8
89.02457	1.1
98.22527	1.2
101.02437	1.9
113.02475	1.6
119.03480	0.8
135.08147	0.6
161.04593	1.1
163.11290	1.7
165.12881	1.3
191.10847	0.6
209.11850	100.0
210.12183	8.4
227.12918	14.1
228.13261	1.4
228.86295	0.8
235.08243	5.1
253.09293	10.4
254.09598	0.6
259.15521	1.2
260.42480	0.4
277.21747	83.2
278.22086	11.5
278.55444	0.5
294.75983	0.5
445.20901	2.5
513.31073	1.2
514.30951	0.6
799.41724	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	799.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10988	1.5
65.00350	1.8
68.44016	1.3
95.01427	3.0
98.21732	3.9
105.03426	1.5
112.79333	1.9
117.03495	4.5
119.05012	3.1
123.00885	2.0
125.02465	5.2
129.03493	3.3
131.01407	1.4
133.02956	5.1
135.04503	1.7
137.02496	3.6
143.01376	2.1
145.02971	14.8
147.00926	1.5
147.04524	6.0
157.02969	5.4
159.00912	2.0
159.04489	3.8
159.29443	1.4
161.02455	10.1
163.00415	4.8
163.04042	5.9
164.01100	2.0
165.01982	2.1
169.01451	1.5
171.00940	3.3
172.01660	1.4
173.02443	15.5
174.03099	2.4
175.04053	9.1
177.01981	5.2
185.02531	2.8
187.00427	3.5
187.04094	1.8
189.01962	16.4
190.02617	2.8
190.99878	2.5
191.03542	11.9
199.00415	4.5
200.01120	3.4
201.01952	20.1
203.03508	14.8
205.05058	2.1
214.99950	3.5
216.00645	3.6
217.01456	20.1
218.02049	3.2
219.03030	7.0
221.04622	2.1
226.99808	7.2
227.03490	1.5
228.00691	3.1
229.01442	24.6
230.02087	4.2
231.02950	14.3
235.02591	1.8
242.99251	8.0
243.99966	2.4
245.00951	37.5
245.04813	1.8
246.01419	3.4
247.02512	26.7
248.02855	2.5
249.04053	15.2
254.99484	2.3
257.00928	16.7
258.01462	3.7
259.99814	2.4
261.00461	5.0
263.02094	2.4
270.98871	21.3
271.99429	2.9
272.97464	2.1
273.00436	58.5
274.00754	3.3
275.01999	60.1
276.02267	4.9
283.99829	2.4
288.99841	2.3
291.01456	8.7
293.02896	2.2
298.98337	40.7
299.99081	10.4
300.99924	100.0
302.00119	8.0
316.99423	2.6
319.01028	2.9
443.02579	1.8
445.04065	2.7
461.03690	5.8
463.05356	4.9
737.06128	2.5
745.03479	8.2
763.04504	8.1
781.04974	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	799.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	1.9
82.13844	1.3
96.96022	1.3
117.03503	2.9
119.05102	3.0
123.00871	1.5
123.04504	1.8
124.47874	1.2
125.02465	11.5
129.03465	2.6
133.02966	3.5
135.04628	1.5
137.02513	2.4
145.02930	9.3
147.04480	4.4
157.02948	2.8
159.04536	3.1
161.01334	1.6
161.02399	7.7
163.04013	5.4
169.01434	4.6
171.00890	4.8
173.02419	10.3
175.04015	5.4
177.01950	4.0
185.02489	5.1
187.00264	1.3
189.01956	6.8
190.02698	1.7
191.03540	7.3
194.09212	1.3
199.00424	4.2
200.01202	2.8
201.01956	10.9
203.03491	7.9
209.00995	1.5
210.74495	1.2
213.02011	2.2
214.99872	2.1
217.01396	10.6
219.03009	3.9
226.99947	6.8
228.00719	1.9
229.01466	19.5
230.01891	2.9
231.03017	8.6
242.99350	3.6
244.00099	1.9
245.00919	15.2
246.01390	2.3
247.02451	11.3
249.03966	6.3
254.99445	2.1
257.00986	10.0
258.01364	1.9
261.00336	2.2
270.98840	8.6
271.99451	2.7
273.00439	22.1
274.00955	1.8
275.01990	28.3
276.02377	3.0
283.99762	1.7
289.00067	2.3
291.01450	1.9
298.98380	23.3
299.99142	8.4
300.99927	100.0
302.00192	9.4
316.99503	1.9
461.03714	4.7
735.04608	2.1
745.03381	17.8
746.02838	3.9
753.05981	2.3
763.04523	15.1
764.04504	3.1
781.05103	8.9
782.04791	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	799.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	1.7
69.52517	7.0
71.17169	1.1
81.12914	1.1
84.53094	1.0
87.05328	1.1
95.01375	1.5
105.03433	1.2
117.03468	5.2
119.05044	2.5
121.02966	1.4
122.73796	1.2
123.00895	2.3
125.02467	2.7
129.03452	1.6
131.04997	1.3
131.44746	1.2
133.02966	4.4
137.02489	2.1
141.03506	1.3
145.03004	11.2
147.04576	5.7
149.02463	1.4
157.02939	4.0
159.00912	2.4
159.04544	2.5
161.02451	8.6
163.00352	3.3
163.03989	7.6
165.01979	2.1
171.00917	4.0
172.01460	1.8
173.02443	11.9
175.03976	7.1
177.01950	5.1
178.72401	1.3
179.03523	1.6
185.02440	6.5
187.00301	2.9
187.04039	1.5
189.01927	12.2
190.02768	1.7
191.03506	11.8
193.01421	1.5
199.00366	3.7
199.30289	1.2
200.01103	3.4
201.01901	13.0
202.02321	1.6
203.03491	13.0
206.99306	1.4
209.00824	1.8
213.01955	2.8
214.99806	3.7
216.00681	1.8
217.01460	13.3
218.01892	2.8
219.03001	5.1
221.04517	2.5
226.99933	8.0
228.00679	2.5
229.01421	21.6
230.01994	4.4
231.02950	13.0
242.99332	9.6
243.99974	2.2
245.00941	21.2
246.01407	2.6
247.02512	21.6
248.02852	2.3
249.04082	6.0
254.99344	3.3
256.00024	1.4
257.00916	14.2
258.01541	3.9
259.02344	1.7
259.80524	1.1
259.99670	1.9
261.00397	4.0
270.98880	22.5
271.99246	3.0
273.00427	36.4
274.00818	4.2
275.01999	48.4
276.02319	4.4
283.99686	2.9
288.99933	3.4
291.01437	5.4
298.98337	37.1
299.01715	2.1
299.98932	10.9
300.99908	100.0
302.00333	8.8
316.99295	2.1
319.01044	2.1
417.04453	1.7
433.03857	1.3
435.05734	2.2
461.03592	4.9
463.05179	2.8
463.30267	1.4
473.29733	1.2
504.68607	1.4
737.06183	2.0
745.03448	10.9
746.03540	2.8
753.04944	2.5
763.04327	11.5
764.04199	3.6
781.04993	5.3
782.05292	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	799.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66526	1.2
60.07692	1.2
70.75404	2.7
71.01377	2.3
71.28683	1.2
85.32039	1.4
95.01392	6.5
107.01374	1.5
108.02197	1.7
109.02966	1.9
115.00394	2.2
117.03493	4.9
119.05045	1.8
121.02929	1.2
123.00916	11.3
125.02417	4.5
128.71770	1.3
129.03462	2.2
133.01433	4.5
133.02998	4.5
135.04526	1.9
137.02458	1.6
145.02946	11.1
147.04547	7.8
149.02477	1.9
154.99879	1.4
157.02966	4.8
159.00905	1.9
159.04553	1.8
161.02437	8.8
163.00389	2.5
163.04004	7.4
165.01923	1.4
166.99878	2.7
168.00607	1.2
169.01437	4.9
171.00896	6.3
172.01724	2.4
173.02498	13.1
175.03986	7.0
177.01921	2.9
185.02509	6.0
187.03983	2.0
189.01909	9.6
190.02722	2.2
190.99956	1.2
191.03548	9.9
199.00375	5.6
200.01117	3.9
201.01939	16.4
203.03513	9.7
204.00497	1.6
205.01352	2.6
209.00943	1.3
213.02034	2.5
216.00629	1.8
217.01408	11.8
218.02054	2.5
219.02968	3.0
226.99876	7.1
228.00536	2.4
229.01436	23.0
230.02107	3.5
231.03004	11.9
242.99297	3.5
244.00056	2.2
245.00909	21.0
246.01442	2.0
247.02499	20.7
248.02757	2.0
249.04019	9.2
254.99294	3.7
257.00919	13.8
258.01553	2.8
261.00388	3.4
263.01971	2.7
270.98938	8.1
271.01523	1.5
271.99478	1.9
273.00418	38.3
274.00833	4.7
275.02023	41.5
276.02325	4.4
283.99683	2.8
291.01614	6.2
298.98413	19.7
299.98975	6.3
300.99921	100.0
302.00308	10.0
316.99548	1.9
417.04312	1.7
461.03717	4.4
530.58582	1.4
613.04749	12.6
614.05573	1.9
631.05847	2.5
633.07208	3.5
735.04272	1.6
737.06415	3.0
745.03204	13.6
746.03400	3.4
755.07452	6.5
763.04242	13.3
764.04236	4.1
781.05206	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	799.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53028	1.0
74.56212	1.0
77.39845	1.1
93.94168	1.1
95.01406	1.8
96.98145	1.2
98.84039	1.1
108.02187	66.1
109.03014	10.5
110.37776	1.1
117.03493	3.3
123.00931	2.2
125.02477	1.4
129.03441	1.2
133.02953	3.4
135.04558	1.8
137.02443	5.0
139.00250	1.1
145.02991	8.1
147.04533	3.6
149.02443	1.1
151.04030	1.8
152.01163	49.4
153.01971	25.4
154.02274	1.2
157.02979	2.5
159.04561	1.2
161.02448	3.4
163.04004	4.0
165.01997	2.0
169.01393	1.3
171.00891	2.4
173.02449	8.7
175.04008	3.5
177.01846	1.9
185.02423	3.3
187.00461	1.1
187.03932	1.4
189.01962	7.4
190.02631	1.2
191.03535	3.8
191.27766	1.1
193.01419	3.2
199.00366	3.0
200.01117	2.6
201.01953	10.3
203.03447	6.4
205.01572	1.1
213.01962	1.2
213.57892	1.0
214.99855	1.4
217.01483	8.3
218.99507	1.2
226.99918	2.6
228.00522	1.6
228.67255	1.4
229.01411	14.2
230.01971	2.0
231.03040	6.4
233.00914	1.2
237.00348	1.8
242.99356	3.0
245.00926	19.9
246.01436	1.2
247.02414	10.0
248.02916	1.4
249.04037	3.6
254.99477	2.4
257.00922	12.5
258.01590	3.0
261.00461	2.2
269.01111	1.3
270.98938	6.7
271.99438	1.9
273.00436	37.1
274.01083	5.6
275.01996	47.8
276.02301	3.9
279.01535	2.3
283.99786	2.4
285.06204	100.0
286.06592	7.4
288.99915	1.3
291.01517	4.7
298.98318	8.9
299.99078	3.5
300.99930	85.7
302.00354	9.5
316.99341	4.3
333.02542	4.3
417.17947	1.1
428.95966	1.1
447.76852	1.2
453.06888	3.0
461.03705	1.7
481.06281	25.7
482.06418	3.1
513.08795	11.9
514.08527	1.3
545.28369	1.4
613.55103	1.2
700.80927	1.1
706.49310	1.1
719.85834	1.1
745.02948	5.7
763.04327	5.2
764.04712	1.6
782.05627	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	800.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98553	0.2
70.73372	0.3
84.22000	0.1
96.96049	0.2
115.53649	0.1
117.81504	0.1
120.44460	0.1
125.02382	0.1
125.96161	0.1
169.01567	0.1
209.11909	0.2
243.15977	0.1
298.98392	0.1
300.99969	0.2
302.51480	0.1
794.40283	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	801.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21463	2.5
67.01903	3.4
70.42456	3.8
70.42811	6.4
76.50557	2.7
95.01411	10.5
98.22620	2.5
107.01382	5.2
117.03490	4.5
119.05049	3.9
123.00894	20.9
123.04657	2.4
125.02441	32.6
126.02755	2.5
129.03502	3.7
131.04962	2.4
133.02968	5.4
134.98575	3.3
137.02463	5.5
139.00406	3.0
145.02977	10.9
147.04556	9.5
149.02469	3.8
157.02965	9.0
160.01689	3.2
161.02466	10.6
163.04044	7.8
165.01956	6.0
166.99863	7.0
168.00685	3.4
169.01437	27.9
169.19780	3.3
172.01735	2.8
173.02412	15.5
175.04036	11.3
177.01926	6.3
181.36209	2.6
185.02365	5.0
189.01968	10.0
190.02686	7.5
190.99936	4.2
191.03494	17.2
199.00365	5.3
200.01051	3.1
201.01926	18.6
202.02332	3.8
203.03467	9.1
204.03951	2.6
205.01414	3.2
209.00920	8.7
214.99835	4.0
217.01436	18.2
219.02979	9.3
221.04591	3.6
226.99864	5.4
229.01453	29.4
230.02165	2.6
231.02986	15.5
242.99356	3.4
243.99890	3.8
245.00945	26.4
246.01277	5.0
247.02507	40.0
248.02997	6.0
249.03929	5.7
257.00940	14.3
258.01593	4.7
259.99991	2.9
263.02078	4.1
270.98840	18.8
273.00400	41.8
274.00876	5.6
275.02020	41.9
276.02237	5.7
283.99573	3.6
291.01514	11.0
298.98352	41.4
299.98904	15.6
300.99915	100.0
302.00284	16.4
316.44052	2.5
335.00711	3.1
350.73529	2.9
369.99069	2.3
393.89319	2.6
403.10455	2.7
435.06250	3.7
465.06647	5.5
481.06219	6.7
613.04419	3.8
657.07709	4.6
739.07318	3.4
747.02026	3.1
757.08685	3.3
758.06891	2.7
765.05890	38.5
766.06281	8.0
783.07031	19.0
784.07037	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	801.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	1.2
66.66856	0.9
67.01888	1.4
67.03692	0.9
69.03456	1.7
70.96600	0.9
71.01394	1.1
71.27234	1.5
73.02444	1.0
93.03439	1.1
95.01402	6.4
97.02930	1.7
107.01410	3.6
109.02963	1.9
111.00844	2.4
117.03513	1.9
119.05056	2.3
123.00908	12.5
124.01623	1.4
125.02465	39.9
126.02795	2.1
127.09613	0.9
129.03427	2.3
131.04942	1.1
133.02950	3.4
135.04544	1.9
137.02435	3.2
139.00409	1.8
140.01207	1.3
141.48547	1.2
145.02974	6.8
147.04556	5.2
149.02449	1.8
151.00388	1.5
151.04022	1.0
157.02956	4.6
158.03699	1.2
158.18692	0.9
159.04526	5.0
161.02441	4.6
162.02896	0.9
163.00391	4.2
163.04030	4.7
164.04428	1.0
165.01952	2.6
166.99887	2.7
168.00690	5.2
169.01450	43.4
170.01775	1.2
171.00958	1.5
173.02472	7.5
174.03151	1.3
175.04024	6.8
176.01089	1.5
176.04335	1.1
177.01927	5.1
177.98889	0.9
179.03564	1.3
183.02969	3.6
185.02477	5.9
187.03983	1.1
189.01979	5.7
190.02728	2.4
191.03537	7.2
193.01453	1.6
199.00446	1.6
200.01042	1.6
201.01981	12.0
202.02379	2.1
203.03557	13.5
205.01532	1.4
205.05125	1.0
209.01021	1.3
213.01799	2.1
214.02689	2.8
216.00706	1.5
217.01541	5.0
219.03062	4.8
221.04613	2.5
226.99889	3.4
228.00441	1.8
229.01448	16.8
230.02020	5.3
231.03036	12.8
232.03261	1.7
243.69745	1.0
245.00948	10.0
246.01382	2.5
247.02525	14.8
248.02882	3.0
249.04086	11.1
257.00943	14.1
258.01544	6.4
270.98795	4.8
271.99393	2.8
273.00439	15.1
274.00827	4.0
275.02005	58.9
276.02350	7.5
277.02591	1.4
283.99655	2.7
291.01401	2.6
293.02960	3.3
295.04602	2.4
298.98450	6.2
299.99002	6.9
300.99927	100.0
302.00256	15.3
303.00476	5.9
313.05765	2.7
319.01044	1.5
340.67081	1.0
445.04016	1.5
447.05692	1.6
463.05310	5.6
465.06570	3.5
468.37909	1.1
481.05966	2.4
597.04810	1.8
617.07458	2.4
631.08820	2.9
649.10040	4.0
739.07623	1.6
747.03845	1.7
765.05750	14.0
766.05835	3.6
782.93774	1.5
783.06836	13.1
784.06934	3.1
801.11945	10.6
802.10596	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	801.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74421	3.0
64.50404	3.1
65.00341	4.7
69.53188	19.3
86.79750	3.1
95.01401	18.5
107.01378	7.9
109.02988	3.8
111.00880	6.5
117.03455	8.6
119.05030	6.1
121.02924	3.3
123.00887	28.5
125.02468	64.3
126.02779	3.6
133.02945	7.1
135.04485	4.7
137.02402	6.3
139.00407	5.9
141.17241	4.2
145.02977	23.3
147.04573	17.2
149.02457	4.5
153.60268	2.9
157.02940	11.1
159.04549	5.3
161.02446	16.8
162.03006	4.6
163.00311	6.6
163.04018	13.8
166.99936	7.1
168.00636	6.3
169.01442	74.6
171.00894	8.1
173.02443	24.7
175.04065	15.9
177.01950	9.0
185.02396	6.8
187.18922	3.0
189.01944	20.5
190.02625	6.7
191.03514	35.3
199.00307	6.2
200.00871	4.6
201.01930	34.2
203.03508	18.5
205.05116	3.4
216.00429	4.1
217.01456	22.6
218.01944	8.0
219.03059	20.8
220.03383	3.3
221.04427	4.8
226.99860	16.4
229.01395	38.5
230.02000	6.4
231.03026	19.7
245.00880	37.4
246.01381	5.9
247.02487	82.2
248.02792	9.5
249.04126	5.9
254.99358	4.6
257.01038	11.5
258.01456	5.5
263.01987	6.3
270.98901	14.1
271.99588	6.5
273.00439	75.0
274.00760	13.2
275.01987	45.9
276.02258	11.8
277.02863	3.4
283.99493	3.9
289.00314	3.5
291.01514	22.9
295.04541	4.9
298.98367	36.2
299.98993	17.4
300.99893	100.0
301.97302	3.4
302.00275	21.6
303.00323	4.9
316.99179	3.7
423.05890	3.9
447.05630	4.0
465.06857	17.7
509.06265	4.3
536.59308	3.4
541.78418	3.4
569.04364	3.6
587.06610	4.5
597.05249	9.0
605.07941	6.6
613.04883	6.0
678.85651	3.2
723.99640	3.2
729.09729	4.0
739.08545	4.4
747.03851	3.9
748.02338	3.3
757.09497	15.6
758.08643	4.1
764.93506	4.1
765.06085	62.7
766.05640	13.5
783.07092	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	801.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
77.34602	1.0
86.27608	1.0
95.01395	2.5
119.05070	1.8
123.00894	4.7
124.01639	1.3
125.02454	11.8
129.03505	1.6
133.02972	2.3
137.02451	2.0
145.02982	3.2
147.04507	4.2
147.64748	1.0
153.01723	1.2
157.02956	1.9
157.99120	1.2
159.04529	3.5
161.02483	3.3
163.00407	1.6
163.04091	5.2
165.01762	1.2
165.05461	1.2
169.01454	9.0
169.15916	1.1
173.02469	5.2
175.03993	4.5
177.01999	2.2
177.05640	1.6
185.02441	4.9
189.01965	4.4
190.02705	2.5
191.03561	8.5
201.01945	9.0
203.03511	9.8
205.05046	1.4
213.01939	1.3
214.02777	1.3
217.01456	3.7
218.02046	1.4
219.02965	6.1
221.04633	1.9
226.99651	1.4
229.01457	14.0
231.02975	8.1
245.00946	6.0
247.02509	23.4
248.02803	2.2
249.04031	8.6
257.00955	12.7
258.01636	4.7
270.98813	3.5
273.00543	6.9
274.00949	2.7
275.01996	55.5
276.02347	4.9
276.15723	1.1
283.99710	2.1
291.01563	5.9
298.98312	6.6
299.99054	4.5
300.99933	100.0
302.00296	10.8
417.04861	1.5
463.05234	4.1
464.05109	1.3
465.34384	1.1
470.17606	1.3
481.06161	4.9
496.18616	1.2
517.24591	1.1
755.06085	1.2
757.08752	3.1
765.05450	2.1
782.93817	1.8
783.06982	22.7
784.06989	5.9
801.07562	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	801.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54622	2.0
61.98825	7.1
64.33254	2.1
70.46282	7.7
83.67293	2.8
96.95999	2.3
113.00503	2.5
117.03454	6.9
118.95519	2.3
119.05051	5.0
121.02934	4.3
130.17737	2.7
145.02937	13.8
150.03279	4.0
165.05644	2.8
170.18726	2.4
177.06674	5.3
180.04262	5.4
195.06619	4.2
225.05475	3.0
239.07088	2.9
240.04259	5.2
250.06328	2.9
281.08170	2.9
282.08719	2.9
295.09750	5.9
296.10608	17.2
297.10934	2.6
310.12134	6.6
311.14032	3.0
324.08832	3.8
338.10339	2.8
367.88031	2.4
440.14523	3.3
445.15582	4.5
458.16330	4.5
459.16605	3.2
460.17783	35.8
461.18304	6.5
471.15668	2.6
501.16577	3.1
558.40985	2.8
575.80804	2.7
580.23492	4.6
588.19928	6.6
592.23230	13.7
593.23773	5.8
605.22974	18.3
606.23370	4.3
623.23987	100.0
624.24396	24.1
771.29736	15.9
772.29285	8.0
783.29187	14.4
784.29144	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	802.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69721	0.2
56.34433	0.2
61.98837	100.0
71.01413	0.3
79.30611	0.2
79.95716	0.2
80.96542	1.4
85.02985	0.3
86.26051	0.2
94.98079	0.2
98.21944	0.9
98.22643	0.4
123.66093	0.2
125.02495	0.5
164.98730	0.2
169.01480	0.6
193.34145	0.2
200.24782	0.2
209.11766	0.2
211.13454	0.2
225.00826	0.3
246.74841	0.2
273.17068	0.2
275.02112	0.3
293.17542	0.2
300.99966	0.7
309.20761	0.3
335.09256	0.2
390.02493	0.3
390.52634	0.2
391.03238	0.2
517.82495	0.2
526.17413	0.2
526.25293	0.2
651.28168	0.2
803.38416	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	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89838	0.1
61.98837	100.0
62.98542	0.1
62.99245	0.2
68.95348	1.4
80.96512	0.2
91.64877	0.1
92.71899	0.1
132.00543	0.2
197.11943	0.2
211.13524	0.2
268.78799	0.1
275.02066	0.3
309.20773	0.2
381.80560	0.2
642.72400	0.2
657.45062	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	802.424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90047	0.1
58.04363	0.1
61.98837	100.0
62.98545	0.2
64.05267	0.1
69.81034	0.2
69.81438	0.3
72.17735	0.1
72.77941	0.1
87.55863	0.1
96.89076	0.1
151.36848	0.1
275.02133	0.1
300.99966	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	802.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.28778	6.8
69.29192	2.5
76.20842	1.0
78.95936	1.5
81.15252	1.2
98.21825	2.8
113.74195	1.2
117.45708	1.2
124.16309	1.1
182.47865	1.3
190.00024	1.4
242.50768	1.1
255.40691	1.2
276.63663	1.2
279.23303	2.2
328.94415	1.3
587.62952	1.4
605.05151	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	803.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82627	0.5
62.58834	0.5
66.02436	0.5
69.03447	0.6
70.85146	1.0
72.45625	0.5
81.64995	0.5
82.80901	0.5
85.02919	0.5
95.01401	1.0
107.01396	2.0
111.00907	0.9
119.04956	0.6
120.59606	0.6
123.00888	2.1
124.40213	0.5
125.02457	8.4
133.02966	0.5
135.04507	0.5
137.02455	0.9
139.00446	0.7
145.02963	1.6
147.04512	1.5
157.02924	0.9
159.04442	1.0
163.00389	1.1
163.03983	1.0
164.01236	0.6
165.02002	0.7
166.99829	0.6
168.00604	0.7
169.01431	8.0
171.38625	0.6
173.02454	2.3
175.03989	1.8
177.01959	0.9
177.85197	0.5
181.01511	0.5
185.02454	3.3
185.60669	0.5
189.01953	1.0
190.02649	1.1
191.03487	1.8
192.03824	0.8
193.01465	1.5
201.01994	4.2
203.03528	5.2
204.04070	0.6
205.04994	0.9
211.02466	0.8
217.01447	1.8
218.01811	0.6
219.02933	0.9
221.04593	0.8
227.00040	0.8
228.00572	0.7
229.01378	7.4
230.01816	1.3
231.02968	3.0
242.99321	1.0
245.01067	2.9
246.01491	0.6
247.02542	3.6
248.02823	1.3
249.04123	3.5
250.04453	0.7
257.00900	6.8
258.01559	2.1
270.98788	1.8
271.99234	1.3
273.00391	2.8
274.00858	1.7
275.01996	21.9
276.02365	3.2
277.02670	1.1
283.99698	1.8
293.03076	0.6
295.04312	0.6
298.98334	3.2
299.98840	5.1
300.99908	100.0
302.00253	12.7
303.00391	4.4
313.05637	1.9
319.00977	0.8
463.05063	1.6
465.06641	2.0
483.07495	1.5
615.06366	5.1
616.06250	0.8
633.07196	2.9
759.10474	0.7
785.08417	14.2
786.08838	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	803.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00222	0.7
62.21711	0.7
69.06946	5.0
69.07364	3.0
71.01398	1.0
85.02991	0.8
95.01393	2.2
98.21773	1.2
101.02428	1.1
107.01391	3.8
113.02450	1.0
119.05027	1.1
123.00878	5.3
125.02456	26.4
125.03339	1.6
126.02814	1.1
131.05045	1.3
133.02876	0.8
136.68134	0.9
145.03049	1.3
147.04532	2.4
159.04527	3.1
169.01431	29.5
170.01796	1.0
173.02470	1.1
175.04016	4.4
177.01903	1.6
185.02435	1.5
187.04042	1.3
191.03552	2.6
193.01486	1.4
201.01929	3.4
203.03528	14.4
204.03822	1.3
211.02573	2.2
213.01920	2.8
214.02734	1.0
219.03049	2.8
229.01436	13.3
230.02019	1.6
231.03011	14.3
247.02460	1.3
249.04048	39.8
250.04454	3.1
257.00916	12.4
257.52762	0.7
258.01611	6.6
271.04535	1.9
275.01984	100.0
276.02304	7.7
293.03134	1.4
300.99951	4.1
313.05655	1.2
325.05368	1.2
331.06738	2.9
419.06226	10.2
420.06561	1.6
483.00842	1.2
483.07828	21.1
484.08331	3.0
607.09247	2.7
626.52057	0.8
759.10632	13.2
760.10651	3.5
803.09412	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	803.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.7
57.94851	0.8
67.01900	1.1
69.03452	1.5
70.52137	0.9
71.26800	1.5
76.07520	1.0
83.01398	1.4
83.02161	0.9
93.03495	1.0
95.01373	0.9
97.02959	3.5
109.02980	6.9
111.00909	1.3
120.18725	0.9
121.02969	1.2
123.00881	2.3
123.04537	5.1
125.02465	78.7
126.02831	1.1
133.02974	1.5
135.04558	1.1
137.02441	7.0
145.03017	1.7
147.08212	0.9
149.02499	1.3
151.04021	7.7
159.04512	2.3
161.02475	2.8
161.06183	1.9
163.03882	1.1
164.01111	1.2
165.01912	2.9
166.99898	1.3
169.01447	100.0
170.01740	4.4
175.04022	2.2
177.01949	1.9
179.03633	2.0
185.06088	1.5
187.04086	1.4
187.11311	1.3
193.01437	4.4
203.07146	2.7
205.05090	1.5
211.15068	1.1
221.53662	1.0
227.07150	1.6
243.03006	1.7
245.04550	2.4
245.08176	5.2
256.06943	1.0
269.04507	2.4
271.06119	6.6
273.18570	2.4
287.05630	3.0
289.07220	30.7
290.07596	3.0
301.02884	1.0
301.14465	2.7
303.05051	6.1
317.17560	3.9
331.04657	2.5
343.15643	2.7
361.16595	72.3
362.17004	8.2
407.07599	1.6
441.08316	42.8
442.08694	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	803.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.3
59.94406	1.2
60.44995	1.3
66.51609	1.1
71.01388	8.5
71.27619	1.4
71.27991	2.0
72.99290	1.8
80.05055	3.1
85.02950	2.4
85.64526	1.2
89.02459	6.3
96.95994	2.0
101.02451	5.2
106.06619	3.4
113.02444	3.9
119.03510	2.8
120.08151	1.4
122.06144	6.5
125.02432	4.4
132.04584	1.8
134.06136	23.4
152.07155	3.3
160.03923	1.3
160.06401	2.3
169.01421	3.9
174.05591	2.2
190.05070	2.2
210.07036	1.3
213.10336	18.4
225.10330	2.2
239.11870	8.9
241.13515	7.7
251.11836	2.1
285.12473	18.6
286.12613	1.9
293.12976	1.4
295.10831	1.5
305.09094	2.1
328.11060	2.2
337.12012	2.0
344.13831	1.8
356.14108	1.6
358.15680	6.9
359.16168	1.8
363.51575	1.5
370.15714	2.1
384.13437	4.4
396.13745	2.2
398.15234	2.9
400.16739	6.2
410.14999	1.4
412.16708	7.0
413.16803	1.6
426.14392	1.4
517.17639	2.2
685.29248	1.6
727.29620	6.2
728.29199	1.9
743.29425	3.1
753.26611	1.7
771.28888	100.0
772.29065	32.9
803.31604	17.0
804.31720	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	803.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73464	2.9
59.01380	22.8
61.98840	18.5
71.01382	12.5
79.54642	2.4
80.05090	3.9
89.02458	8.0
96.96026	4.9
98.22526	7.6
101.02462	6.7
102.81844	3.0
106.06600	4.1
113.02470	3.4
116.92854	9.5
122.06106	9.9
125.02462	2.5
134.06104	24.1
145.03021	9.2
150.03232	2.9
160.06483	4.0
165.05644	2.9
206.36153	2.7
213.10246	14.7
223.80548	2.6
228.87611	3.8
239.11934	8.8
241.13509	7.2
285.12378	23.1
293.12943	2.6
319.81476	2.8
328.11118	3.1
340.14734	3.1
358.15610	6.2
370.11609	3.5
384.13626	4.1
400.16681	8.2
401.17102	3.5
412.16855	4.9
530.91388	3.2
727.29913	4.4
771.28833	100.0
772.29169	32.5
803.30975	18.5
804.31378	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	803.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69440	2.0
59.01385	45.3
60.00755	2.1
61.98838	61.1
71.01389	26.7
71.26656	3.0
72.99327	3.7
74.32688	1.9
78.91893	9.8
83.34527	2.2
85.02950	5.3
87.00909	3.6
88.04624	2.0
89.02449	21.1
91.53262	2.1
95.01412	4.3
96.96018	9.4
101.02441	16.6
106.06628	4.7
113.02451	7.2
119.03526	7.3
122.06138	10.5
125.02456	7.6
130.30470	2.3
134.06136	36.7
150.05716	2.7
152.07184	14.8
160.93706	2.0
166.99861	2.5
169.01430	6.4
209.11937	4.2
235.08789	5.7
237.10326	4.4
240.97438	2.2
248.09471	3.1
249.06879	3.5
249.10306	17.9
250.10944	3.7
251.11858	6.3
261.10440	2.5
262.07471	12.2
263.08295	25.5
263.10956	3.6
264.08823	8.6
265.09711	2.5
275.08292	5.8
276.09033	3.6
277.09808	32.5
278.10626	54.1
279.11304	29.3
280.11902	2.9
289.09915	4.2
290.10663	9.4
291.11429	16.2
292.11978	4.6
300.99826	8.1
314.12485	4.0
322.09592	5.4
382.15643	5.8
384.17108	3.1
395.12643	3.4
396.13278	3.8
398.14630	2.9
400.16409	4.6
410.14960	13.7
412.16867	5.2
419.30078	2.4
424.16711	3.0
425.17535	11.6
426.18350	5.1
444.19580	3.7
504.53687	2.3
591.22015	2.4
604.22559	6.1
605.23950	11.3
636.25635	3.8
649.22852	43.7
650.23669	11.8
681.25275	4.8
699.58191	2.2
727.29913	26.1
728.29919	6.9
759.31793	4.3
771.28839	100.0
772.29297	30.5
803.31573	37.9
804.31683	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	803.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	19.5
61.13054	6.4
61.98835	100.0
71.01382	16.1
72.06891	6.6
85.27361	7.1
89.02405	10.9
96.95972	13.0
98.22154	66.6
101.02419	13.6
104.69521	6.4
109.02982	6.5
117.03109	6.6
150.17856	6.1
152.14401	8.2
169.01427	7.0
171.10318	10.3
197.11661	11.9
209.11855	45.4
210.12173	11.5
211.13333	20.3
223.13380	51.0
225.11299	7.5
229.52435	9.8
233.26266	7.6
238.85985	7.8
253.09340	15.8
273.17188	19.7
274.17468	9.4
275.01929	7.5
289.18213	14.4
291.19656	13.3
292.20081	9.5
299.93048	7.8
307.19189	59.0
309.20740	23.4
310.21112	13.2
311.21225	9.0
325.20203	21.4
471.87573	7.1
543.27979	28.4
749.40948	29.8
767.41925	12.5
803.39972	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34381	0.7
59.01385	10.7
59.59366	0.9
60.10878	0.8
61.98840	6.7
66.51810	0.9
69.03455	1.4
70.70274	2.4
71.01383	13.3
73.02962	2.0
81.03469	1.0
83.01393	2.1
83.05051	2.1
84.99736	1.0
85.00426	1.0
85.02975	2.6
87.00889	4.1
89.02460	10.5
95.05067	1.4
96.96016	2.6
97.02972	2.4
101.02461	7.1
113.02426	4.3
116.17045	0.8
116.92868	1.5
119.03510	3.0
125.02464	3.4
125.09685	1.1
143.03506	1.3
153.09233	3.6
161.04587	1.8
163.11229	2.0
165.12869	1.7
170.51402	0.8
171.10281	7.0
177.86253	0.8
179.05658	2.8
183.13913	7.5
191.10719	0.9
193.12369	1.8
197.11891	1.4
209.11850	37.0
210.12169	2.7
211.13420	100.0
212.13770	7.9
213.81253	0.9
225.11336	0.8
227.12964	7.1
235.08272	3.6
238.22861	0.8
248.37872	0.8
253.09297	3.0
259.15463	4.5
287.07764	1.3
289.18152	3.3
301.00049	2.0
307.19150	8.8
325.20325	4.6
379.12543	3.7
397.13574	20.9
397.18768	1.2
398.13995	2.0
405.86371	1.1
415.14532	4.3
445.31949	0.9
543.28107	2.6
591.26459	3.9
609.27563	3.6
712.65485	1.1
753.40631	1.3
785.39661	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	804.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31742	0.3
61.98837	100.0
68.94650	1.1
68.95079	1.6
71.01428	0.4
80.96546	0.7
200.65057	0.3
263.64502	0.4
268.11279	0.3
301.00021	0.3
461.84546	0.3
805.41248	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	805.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63613	0.7
63.02418	0.9
65.00330	8.4
69.12492	8.3
83.01390	5.5
84.00623	0.8
93.03481	1.6
95.01395	1.6
97.02969	3.4
107.01402	7.6
108.02204	2.4
109.02985	6.9
111.00880	1.3
117.03490	2.5
121.02963	6.5
123.00890	2.1
123.04552	2.8
125.02455	10.5
131.01355	0.9
133.02995	3.1
135.00839	1.5
135.04561	1.2
137.02495	3.8
139.04042	1.5
142.48965	1.0
145.02972	10.5
147.04491	1.5
149.02443	5.3
151.00378	24.4
151.04044	3.1
152.00719	1.3
157.02979	2.3
158.15453	0.9
159.04547	3.3
161.02435	6.5
161.06126	1.8
162.03285	1.1
163.00388	7.7
163.04028	1.8
164.01176	1.4
165.01952	14.9
169.01482	2.3
171.00871	1.1
173.02438	8.7
173.06203	1.0
174.03177	2.6
175.00349	1.4
175.04012	1.0
176.01213	3.1
177.01939	7.0
177.05653	1.5
180.59543	0.8
183.04480	1.7
185.02490	3.8
185.06096	2.4
187.04059	7.7
188.04655	1.0
189.01990	5.2
189.99036	1.2
190.02724	5.9
190.99947	2.9
191.03529	1.4
192.00665	3.3
193.01494	1.3
194.94130	0.8
201.01967	14.8
201.05655	2.4
202.02693	1.9
203.03392	2.2
204.00630	1.8
205.01453	3.0
205.05128	2.7
211.03958	2.4
214.99796	1.3
217.01401	9.2
217.04973	1.0
218.02214	8.7
220.00252	1.2
225.05673	1.7
226.99919	2.7
227.03519	2.0
228.00702	1.2
229.01448	26.6
229.04991	8.7
230.01851	4.4
231.02962	6.2
232.00154	26.8
232.03720	1.1
233.00656	1.4
233.04581	2.7
245.00877	6.9
246.01732	4.1
247.02478	3.2
247.06126	2.8
249.04144	4.7
251.03545	1.6
253.05031	2.5
254.99455	3.4
255.03206	1.2
257.00931	1.4
259.02487	1.4
261.04016	9.0
267.02896	1.1
271.02759	0.8
271.06110	2.6
273.00436	14.4
273.03668	1.8
274.00858	1.4
277.03549	18.8
278.03809	1.8
285.04144	1.2
287.02026	11.9
288.02298	1.3
291.01431	1.1
295.02899	1.3
297.04044	16.5
300.23721	0.8
303.01538	1.8
303.05054	1.9
304.02319	1.0
305.03067	100.0
306.03357	9.9
310.66959	0.9
311.02084	1.2
315.05145	46.6
316.05356	5.4
331.01169	2.0
333.06195	3.2
369.14120	0.9
467.06284	2.1
469.03851	2.0
527.06122	2.6
545.07245	5.4
559.08722	3.4
577.09900	18.0
578.10260	3.5
589.06592	1.2
603.08087	11.1
604.08307	2.7
621.08917	81.0
622.09235	14.9
773.09808	6.2
774.10089	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	805.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74982	1.4
65.00326	8.7
72.88142	1.4
73.56007	1.2
83.01383	3.1
84.57952	1.4
92.88847	1.3
93.03447	2.6
97.02982	3.8
107.01417	6.7
108.02190	2.3
109.02959	6.7
117.03516	2.6
119.04982	1.7
121.02966	4.5
123.00928	2.2
123.04537	2.4
125.02448	5.9
133.02965	2.0
137.02452	3.1
145.02959	10.4
147.04565	1.8
149.02422	4.7
151.00392	18.0
151.03941	3.0
159.04556	4.3
161.02449	4.4
163.00400	7.1
164.01100	1.9
165.01961	11.1
165.98042	1.3
169.01450	2.2
169.87967	1.4
173.02414	5.8
174.03249	3.7
175.04021	1.7
176.01164	2.4
177.01942	8.6
183.04535	2.7
185.02422	2.3
185.05954	1.9
187.04056	8.3
189.02003	3.4
190.02669	4.8
190.99788	2.6
192.00670	3.4
193.01454	1.6
201.01915	11.4
201.05675	1.4
205.01494	2.0
205.05029	4.2
217.01421	10.1
217.04980	1.6
218.02219	7.5
226.99809	2.6
229.01447	26.0
229.04938	10.6
229.07121	1.8
230.02133	3.0
230.99213	1.6
231.03023	7.5
232.00156	23.1
233.00397	2.5
233.04520	1.8
243.02974	1.8
245.00902	5.6
246.01677	3.3
247.02519	2.6
247.06146	3.3
249.04053	5.4
253.05133	2.7
254.99408	3.0
261.04044	5.6
271.06088	2.4
273.00488	12.6
277.03574	17.7
287.02002	8.6
295.02478	1.9
297.04044	14.6
305.03043	100.0
306.03381	7.5
315.01514	3.0
315.05115	47.0
316.05426	5.6
331.00900	2.3
333.06085	3.7
527.06281	2.5
545.07471	3.4
559.08655	2.6
577.09991	16.1
578.10339	2.6
603.08014	11.9
604.08722	2.0
621.08936	71.1
622.09155	14.7
773.09637	6.0
792.76660	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	805.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18919	1.6
69.19321	4.3
78.07738	0.8
93.19131	1.0
125.02464	2.1
135.03131	0.9
160.01686	1.2
169.01393	1.3
172.01691	1.0
178.86214	0.8
200.01076	1.9
216.00615	2.4
242.99432	1.4
244.00111	2.0
256.03760	1.3
271.02527	2.2
298.98590	1.1
299.02008	2.4
299.99155	100.0
300.99673	13.8
315.05231	1.7
327.05005	1.4
329.06857	1.4
329.84912	0.9
469.13663	0.9
475.05252	76.7
476.05585	10.1
477.10660	4.8
562.63544	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	805.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.1
69.65184	2.8
69.65598	3.1
71.01365	2.3
71.89481	1.5
86.93264	1.2
95.01381	1.4
100.30952	1.4
123.00920	2.1
125.02456	9.4
126.02782	1.8
133.01453	1.2
149.00929	2.0
161.02496	1.4
169.01445	11.3
170.01830	2.1
175.03986	2.4
185.02417	1.5
189.01720	1.4
190.02696	1.9
191.03384	1.3
200.01114	1.4
201.01857	3.4
203.03461	4.5
204.03908	1.8
213.01913	1.3
217.01445	1.2
218.02176	2.6
229.01407	5.8
230.01881	2.2
231.02977	4.5
232.03397	1.8
235.02698	1.4
242.99496	1.2
245.00967	4.7
247.02454	3.3
249.04047	8.6
250.04353	3.4
251.04437	2.0
257.00949	9.4
258.01584	2.1
270.98837	18.0
271.99411	1.5
273.00439	6.2
274.01187	15.9
275.01984	37.8
276.02347	12.2
277.02567	6.3
283.99619	1.1
298.98361	22.4
299.99133	98.6
300.99890	86.8
301.04919	1.6
302.00159	7.4
312.99783	1.9
361.45535	1.1
437.07288	4.0
462.04474	9.7
463.05243	52.7
464.05515	7.8
481.06323	2.0
483.07925	1.9
485.08444	3.2
530.76367	1.3
625.10468	100.0
626.10828	14.6
643.11133	5.9
761.10608	3.3
805.16888	30.7
806.16986	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	805.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.8
63.81134	1.0
70.02979	2.7
70.30045	2.5
83.01374	1.4
84.53761	0.8
92.05067	29.2
96.00941	2.0
96.02262	0.8
97.01773	0.9
98.02486	24.5
99.97144	2.0
106.88973	0.8
110.02470	2.0
111.03284	8.3
115.96671	1.7
116.05097	0.9
118.06654	1.1
125.02451	0.8
130.06647	10.1
131.03793	0.7
131.04993	2.0
135.03308	2.9
136.04073	14.9
137.04431	1.1
146.06122	2.8
147.04546	6.5
148.07716	0.9
158.09767	1.4
162.02020	1.0
164.07166	7.4
170.14508	0.8
171.99292	1.3
173.07207	3.1
174.05621	22.0
175.05872	1.3
176.03661	1.4
176.07225	1.4
184.07704	9.4
187.57076	0.8
192.00754	2.2
197.11841	1.4
200.07196	1.1
202.08752	10.3
205.98689	1.3
210.00845	2.0
218.04614	9.6
219.00832	0.8
220.06145	1.7
229.03716	2.3
233.88835	0.7
235.00316	2.0
240.04329	1.4
241.03120	1.1
246.00999	1.6
246.07764	3.9
256.03745	1.3
257.02286	1.4
258.01678	1.1
264.87216	1.2
276.01981	3.0
284.03387	11.3
285.02704	2.3
293.34012	0.8
302.03949	2.8
303.03000	1.0
328.02228	5.1
359.07809	1.6
377.08612	3.0
383.12439	9.8
393.07663	1.6
395.09470	3.6
403.06628	0.9
421.08051	100.0
422.08344	13.6
439.08286	1.7
558.12384	1.0
586.15302	1.7
640.12598	1.5
787.18848	4.1
805.20453	35.7
806.20721	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	805.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95422	1.3
69.56142	5.6
69.56549	2.7
71.01368	2.2
72.19534	1.6
72.34692	1.5
97.02991	1.6
98.22472	1.7
109.02953	5.9
117.37321	1.5
123.00884	2.0
125.02478	7.8
126.39430	1.5
135.04532	2.4
137.02455	27.7
150.03265	3.2
151.00383	13.4
151.03984	4.1
152.04778	2.7
161.02458	2.4
164.01178	2.5
165.01947	100.0
165.05559	5.0
166.02740	34.7
167.03429	4.5
169.01428	3.8
175.04068	1.5
177.01930	2.6
177.05557	2.2
178.02596	1.7
179.03525	21.0
179.07062	2.5
180.04301	59.7
181.05092	40.3
182.05466	2.4
187.03874	1.7
194.05878	2.6
195.02982	3.6
195.06642	78.5
196.06944	6.1
205.05116	7.4
209.07982	1.8
210.05347	11.9
213.80937	1.6
220.07391	3.3
225.07713	60.1
225.59128	1.5
226.07948	3.3
387.10709	6.4
387.14603	6.9
402.13290	3.7
416.14816	4.5
417.15610	52.8
418.15744	6.6
434.59146	1.6
565.17761	2.1
595.12750	3.1
595.21875	47.9
596.22229	12.4
643.24042	22.5
644.24445	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	805.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56080	2.4
71.01368	0.9
85.02949	0.9
87.45210	0.8
95.05070	0.8
101.02354	0.8
109.02972	4.2
123.00909	2.4
124.01679	1.4
125.02464	1.4
128.73993	1.0
132.03055	0.9
135.04564	1.5
136.01692	1.3
137.02457	24.2
149.02495	1.5
150.03235	2.5
151.00398	9.8
151.03999	4.5
152.01117	1.3
152.04755	2.2
153.05533	1.0
161.02496	1.2
162.03310	0.9
163.04108	1.2
164.01198	2.1
165.01945	100.0
165.05627	2.5
166.02739	31.7
167.03471	3.4
169.01494	1.2
173.02481	1.0
175.04042	2.3
177.02025	2.1
177.05563	1.8
178.02774	0.8
179.03514	21.6
180.04303	54.6
181.05075	37.8
182.05399	1.4
184.03812	1.9
187.04056	2.0
192.04231	1.0
193.05141	1.4
194.05878	3.7
195.03137	2.0
195.06641	74.1
196.06964	3.4
203.03516	0.9
204.04395	0.9
205.05067	4.7
206.92210	0.8
207.06660	2.0
210.05388	9.6
218.47606	0.9
219.06580	0.9
220.07430	2.9
225.07706	58.9
226.08009	4.0
273.51736	0.9
300.99951	1.2
359.11435	2.2
366.59143	0.9
387.10242	5.1
387.15460	4.4
402.13263	3.6
403.14133	1.9
416.14908	3.6
417.15598	50.4
418.15945	6.2
550.18274	1.0
565.18262	2.5
595.21869	46.2
596.22058	10.8
613.22906	1.1
625.23047	1.0
643.24072	17.2
644.24274	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	805.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.9
59.01385	25.8
60.02399	2.0
61.98818	7.0
65.64368	2.0
66.13655	1.8
69.11001	5.6
69.11414	13.4
71.01386	15.5
72.99341	2.4
80.86128	2.3
85.02952	2.8
89.02442	10.0
92.66551	2.0
95.01393	2.5
101.02450	7.6
106.06632	5.7
113.02449	6.2
117.03457	2.0
119.03496	4.1
120.08192	11.3
122.06123	13.5
125.02460	7.9
134.06136	27.3
152.07159	3.5
168.21445	2.2
169.01405	5.8
170.04366	2.2
190.05167	3.1
211.02490	4.5
223.08835	3.7
237.10254	3.1
239.11887	5.4
244.33662	2.3
249.10367	2.8
251.08182	2.4
251.11945	4.8
263.08185	4.4
264.08966	7.6
265.09830	8.7
271.04584	8.2
271.10925	2.9
272.04947	2.9
277.09756	6.1
278.10410	2.5
279.11340	17.0
280.12033	3.8
281.12714	2.4
291.11325	4.7
292.12036	3.5
309.99084	2.4
324.11203	5.6
472.18518	3.9
490.19952	6.0
491.20505	2.9
623.24860	2.8
650.24561	3.9
651.24243	10.3
682.26147	5.3
773.30444	100.0
774.30560	27.9
805.33112	32.4
806.33252	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	805.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.2
59.01387	31.5
68.41658	1.1
69.17996	10.5
69.94602	1.2
71.01385	20.9
72.99301	1.8
85.02966	5.4
87.00886	2.1
89.02454	16.3
101.02431	8.8
101.12490	1.1
106.06591	5.6
113.02468	6.2
119.03526	5.1
120.08192	13.0
121.08549	1.7
122.06130	18.5
125.02467	2.0
134.06137	31.4
135.06497	1.8
136.07706	2.2
146.06133	1.3
152.07224	6.5
160.04013	1.7
161.35519	1.3
169.01517	2.0
190.05180	3.6
197.12048	1.4
209.12074	1.2
211.86024	1.1
223.08788	2.7
224.09473	2.3
235.08913	1.8
237.10368	4.3
238.10988	2.1
239.11888	7.9
249.06624	1.2
249.10364	2.8
250.07669	1.6
251.08353	3.8
251.11972	5.9
263.08347	5.5
263.11871	2.1
264.08990	11.9
264.11670	1.4
264.12790	1.4
265.09875	9.2
265.13260	1.4
266.10269	1.3
276.09036	1.5
277.09842	6.0
278.10687	4.4
279.11401	28.7
280.11816	5.6
281.13004	2.9
285.12845	1.4
287.46191	1.3
291.11438	7.1
292.12183	4.3
293.13000	4.0
298.66138	1.4
305.09424	2.8
307.11124	1.4
314.12463	2.0
323.10513	3.9
324.11121	3.3
326.12723	1.6
329.15350	1.5
337.11996	2.3
360.17419	1.2
372.17245	2.1
384.17365	3.3
384.83801	1.2
386.18826	1.5
387.19165	1.4
399.19565	1.3
402.17941	2.2
412.16901	1.5
414.18802	1.3
426.18265	2.5
443.87787	1.4
444.19333	2.2
445.20096	1.9
462.20313	2.4
471.17981	2.3
472.18552	3.4
473.19464	2.6
488.18054	2.3
490.19962	4.6
606.24915	3.5
607.25153	1.8
610.24481	1.5
650.23492	12.4
651.24188	18.4
652.25006	2.6
682.26385	14.3
683.26624	3.4
729.30920	1.8
755.30621	2.1
773.30414	100.0
774.30811	29.4
805.33063	39.2
806.33575	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	805.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60894	5.3
61.98840	96.9
70.29185	15.9
70.29565	7.2
71.01386	6.6
78.91880	8.2
80.44605	5.1
80.96526	15.3
85.02975	5.9
97.00355	5.2
209.11836	100.0
225.00807	5.6
227.12917	35.9
235.08298	8.6
240.50890	6.7
243.26929	6.8
253.09273	15.9
291.19720	55.9
292.20099	9.3
323.22302	70.6
324.22705	8.1
390.16724	5.9
527.28308	11.0
738.41711	6.2
805.40076	28.0
806.40936	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	805.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01388	11.3
68.94344	0.6
69.03471	1.0
71.01393	10.6
72.99319	0.6
73.02942	2.8
75.98463	0.7
83.01399	1.3
83.05008	0.8
85.02957	2.7
87.00890	2.2
89.02446	4.5
95.01384	1.2
97.02930	1.4
97.06591	1.5
98.21792	1.7
101.02452	9.9
113.02466	3.9
113.09750	2.1
115.07661	1.2
125.06133	0.7
127.07598	0.8
141.09198	1.2
145.05092	1.0
151.96037	0.7
161.04559	2.4
162.43185	0.7
165.12849	3.8
167.10796	1.1
167.14427	2.3
181.12337	4.1
193.12369	1.2
193.15950	0.9
195.13934	4.3
201.19771	0.6
211.13408	2.7
221.15517	4.2
228.81903	0.7
235.08276	4.5
245.19102	0.7
247.20732	3.5
253.09285	7.5
259.20724	1.0
273.18588	2.3
275.20203	0.7
277.21747	100.0
278.22037	10.7
281.21246	1.0
291.19678	32.3
292.20169	3.5
309.20731	40.8
310.21164	3.8
314.13504	0.7
344.46225	0.8
487.51300	0.7
527.28540	1.4
545.29724	2.1
546.29614	0.9
725.17645	0.8
805.50836	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	807.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.7
59.01392	2.8
65.00322	5.1
68.97610	23.8
71.01391	7.9
72.99304	3.0
78.95838	2.4
79.01882	2.2
85.02965	17.4
87.00873	10.0
95.01391	21.7
98.22526	4.5
107.01382	8.0
109.02956	3.6
115.00384	7.1
117.03476	2.1
119.05006	3.3
121.02933	2.8
123.00908	30.5
124.01682	2.3
125.02460	31.0
125.73949	2.1
129.03493	3.0
133.02966	2.5
135.04533	7.8
137.02478	7.4
139.00389	4.3
141.01920	2.2
145.02953	8.3
147.03062	4.7
147.04559	5.4
151.00389	2.5
157.02928	5.4
159.04527	4.1
160.63588	2.3
161.02487	10.6
163.00407	8.9
163.04016	8.1
164.98317	11.3
165.01970	9.2
166.99892	9.4
168.00702	3.1
169.01448	23.1
169.02698	3.2
171.00841	2.8
173.02437	8.1
175.02493	14.0
175.04054	10.9
177.01878	3.9
179.03558	3.7
185.02484	4.1
189.01979	7.0
191.00063	2.2
191.01964	11.4
191.03528	17.1
193.01541	3.1
201.01952	18.3
203.03517	18.6
209.00916	10.8
217.01410	9.8
219.03072	12.8
226.99934	3.5
229.01439	25.4
230.02098	4.7
231.03064	13.9
235.02600	3.3
245.00964	13.2
247.02533	39.0
249.04033	11.7
257.00937	6.8
258.01593	3.7
259.02667	2.7
263.01996	6.1
270.98831	3.9
273.00461	18.8
274.01016	2.8
275.02011	34.5
291.01550	9.3
291.04849	2.7
298.98318	12.0
299.99097	5.4
300.99942	62.1
302.00388	7.3
309.06281	14.7
323.48029	2.3
335.00470	5.2
335.04114	4.3
353.05276	4.7
403.03690	2.5
417.04785	3.5
453.10806	3.1
525.01477	2.5
587.06915	6.5
603.06348	7.0
613.04767	100.0
614.05109	16.1
631.05774	58.6
632.06281	10.3
633.07568	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	807.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	2.2
67.01897	2.2
67.71156	1.3
69.03473	2.7
70.83035	2.7
83.01416	3.2
85.02953	1.8
87.00903	1.9
95.01408	6.8
107.01391	2.2
109.02961	2.9
111.00907	4.5
113.02507	1.6
123.00931	2.7
125.02460	78.7
126.02798	3.9
133.02982	1.8
137.02463	5.6
139.00388	4.5
145.02971	3.9
147.04538	1.8
149.02483	2.0
151.69370	1.6
154.99895	3.8
157.01439	1.5
161.02426	3.0
163.00398	17.3
163.04184	2.1
164.98357	1.8
165.01935	9.1
166.99847	1.6
169.01443	94.9
170.01784	4.1
173.02449	2.7
175.04070	1.4
178.99944	1.9
185.02527	2.6
189.01964	3.0
190.99864	7.6
201.01941	4.8
203.03535	2.2
206.99385	3.1
208.00200	1.9
209.00946	14.4
210.01221	1.5
211.02463	2.0
213.01973	2.1
217.01416	3.4
229.01501	7.5
245.00964	10.5
247.02614	2.0
257.00964	4.8
273.00464	10.2
274.00970	2.2
275.02057	7.5
283.99683	1.8
285.00375	2.6
287.02087	3.0
297.00870	1.5
298.98450	2.7
299.99146	18.6
300.99924	100.0
302.00174	7.6
313.05978	1.7
315.01541	3.8
331.06766	1.8
335.04132	2.7
343.01004	5.2
353.05063	11.1
399.83322	1.5
445.04263	1.7
447.05771	4.2
461.03531	4.8
463.05212	50.6
464.05606	6.2
475.05255	12.2
491.04843	2.9
493.06641	2.8
501.02835	1.4
519.04211	1.7
523.07208	5.0
633.07043	3.4
671.05823	1.5
747.47559	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	807.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	2.9
61.98833	11.0
69.93587	1.8
71.27405	3.2
73.45783	1.6
85.34142	1.8
88.98816	15.5
90.98446	1.9
117.03448	2.7
118.10207	2.0
122.03732	3.2
125.02483	4.8
136.01669	2.5
137.02417	2.3
145.02943	12.1
146.03377	2.3
149.02385	4.9
150.03261	16.5
151.03909	3.4
162.03162	2.3
165.01973	9.4
165.05566	11.9
165.06729	1.8
169.01457	3.6
175.03951	11.9
177.05574	4.4
180.04285	11.8
192.33258	1.9
194.64236	2.2
195.06647	15.9
198.07597	1.8
204.86714	2.4
207.06531	2.7
218.05838	3.9
222.05333	4.9
225.07733	8.7
227.38222	2.0
237.05580	3.1
238.06419	2.4
249.05849	2.0
253.05028	3.3
263.90408	2.6
266.05856	6.3
278.05844	14.3
279.06708	4.5
281.04529	4.6
281.08136	5.2
293.08078	2.4
294.05328	3.8
306.05377	10.4
307.06064	8.7
309.04153	4.2
309.07657	3.9
310.04834	4.2
320.06949	2.5
321.07660	34.6
322.04935	3.8
322.08383	9.8
324.06274	4.3
325.07147	25.7
335.09341	4.5
336.10077	12.2
337.07175	27.1
337.10913	6.1
339.08838	8.1
340.09573	23.6
341.10147	3.4
347.29483	2.6
352.09552	6.9
354.11023	5.4
355.11890	59.4
356.12268	8.4
367.11899	100.0
368.12247	12.6
563.18579	4.1
581.20605	2.1
611.21161	8.0
729.25293	4.9
777.26349	3.4
790.26996	2.4
807.29681	3.9
808.28619	3.5
810.89960	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	807.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	2.9
61.98833	11.0
69.93587	1.8
71.27405	3.2
73.45783	1.6
85.34142	1.8
88.98816	15.5
90.98446	1.9
117.03448	2.7
118.10207	2.0
122.03732	3.2
125.02483	4.8
136.01669	2.5
137.02417	2.3
145.02943	12.1
146.03377	2.3
149.02385	4.9
150.03261	16.5
151.03909	3.4
162.03162	2.3
165.01973	9.4
165.05566	11.9
165.06729	1.8
169.01457	3.6
175.03951	11.9
177.05574	4.4
180.04285	11.8
192.33258	1.9
194.64236	2.2
195.06647	15.9
198.07597	1.8
204.86714	2.4
207.06531	2.7
218.05838	3.9
222.05333	4.9
225.07733	8.7
227.38222	2.0
237.05580	3.1
238.06419	2.4
249.05849	2.0
253.05028	3.3
263.90408	2.6
266.05856	6.3
278.05844	14.3
279.06708	4.5
281.04529	4.6
281.08136	5.2
293.08078	2.4
294.05328	3.8
306.05377	10.4
307.06064	8.7
309.04153	4.2
309.07657	3.9
310.04834	4.2
320.06949	2.5
321.07660	34.6
322.04935	3.8
322.08383	9.8
324.06274	4.3
325.07147	25.7
335.09341	4.5
336.10077	12.2
337.07175	27.1
337.10913	6.1
339.08838	8.1
340.09573	23.6
341.10147	3.4
347.29483	2.6
352.09552	6.9
354.11023	5.4
355.11890	59.4
356.12268	8.4
367.11899	100.0
368.12247	12.6
563.18579	4.1
581.20605	2.1
611.21161	8.0
729.25293	4.9
777.26349	3.4
790.26996	2.4
807.29681	3.9
808.28619	3.5
810.89960	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	807.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	11.5
68.99477	9.4
68.99857	37.1
72.36193	2.7
78.01495	2.9
82.99522	2.9
87.68296	3.0
93.03489	4.6
95.01402	3.0
108.02182	45.3
109.02986	12.7
109.38581	2.6
117.03481	27.6
119.05074	3.6
121.02954	9.7
122.03767	13.0
123.00896	19.2
123.04551	45.4
124.04859	3.2
125.02448	4.4
132.02211	6.0
133.02948	7.8
135.04436	3.3
136.01700	8.8
137.02443	4.9
138.03247	35.9
145.02980	51.8
145.11887	3.3
146.03374	3.4
148.01682	4.0
149.02451	18.1
149.06152	3.7
150.03242	67.4
151.00395	3.6
151.03978	8.6
159.80853	2.6
160.01636	5.4
161.02477	30.5
162.03256	65.7
163.04036	25.8
164.04828	7.4
165.01947	3.0
165.05588	44.2
166.02728	8.1
166.05896	2.8
169.01389	4.6
175.03992	5.5
176.01276	3.3
177.05580	66.5
178.02721	39.1
178.05901	5.1
179.03482	7.3
179.07138	27.4
180.04160	4.2
181.05070	8.4
191.03468	3.2
193.03322	5.1
193.05087	100.0
194.05612	9.1
195.06641	22.7
219.06641	3.6
262.75641	2.7
278.06012	2.7
308.84076	3.2
331.12134	3.2
337.07047	4.5
343.20691	3.1
397.09271	2.9
451.67673	2.9
477.12973	7.5
610.20685	26.8
611.21283	18.3
612.21924	3.9
759.26636	4.8
789.26709	3.7
807.29657	22.3
808.28961	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	807.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93950	12.2
61.98817	16.8
62.30600	12.3
68.78085	12.5
71.26547	18.5
71.26941	19.6
117.03472	63.6
121.02911	13.6
145.03001	100.0
146.03246	12.9
148.21738	14.1
150.03288	31.9
151.04109	14.4
153.35904	13.7
162.30270	12.9
209.11864	85.1
221.36140	14.8
221.59340	13.7
235.25851	14.4
307.19180	41.5
325.20230	28.7
341.82861	15.2
441.71640	15.2
528.99329	15.4
543.28479	27.0
581.15747	17.1
807.39551	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	807.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	13.2
61.98837	100.0
65.75525	12.1
66.90146	9.3
69.64975	33.8
69.65384	25.0
71.01351	14.9
82.55308	10.2
82.95432	16.5
83.92730	12.7
98.21899	17.7
101.02500	11.5
118.59645	11.2
153.60081	10.5
169.01414	13.0
171.10320	15.8
209.10153	11.8
209.11792	68.4
211.13342	63.4
217.83315	11.6
225.11282	17.6
227.12857	18.6
235.08444	13.3
253.09315	24.8
275.02075	11.3
291.19724	38.7
293.21362	36.3
309.20834	39.9
323.22183	36.2
446.56714	11.8
467.12128	11.2
807.41998	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07239	1.1
68.97002	3.1
68.97404	9.1
73.10631	1.1
95.21400	1.3
101.11414	1.2
108.18549	1.1
117.03466	2.0
124.01749	2.0
125.02345	1.7
133.26199	1.2
145.02957	6.5
152.12695	1.2
163.00343	1.3
166.64262	1.3
169.01430	2.6
178.99750	1.3
199.03960	1.5
214.02705	4.5
217.97252	1.1
226.20273	1.2
242.02194	5.1
243.02977	4.8
255.02963	5.4
259.02448	4.5
270.01694	4.0
270.99582	2.2
271.02499	39.7
272.02866	3.5
287.02008	16.8
288.02597	3.0
299.02042	3.4
300.02765	29.0
301.03253	2.7
305.65283	1.3
315.01447	2.6
315.05060	24.4
316.02264	89.8
316.05399	3.5
317.02628	9.7
331.04623	100.0
332.04919	10.3
477.10416	30.6
478.10739	2.4
480.07486	1.5
504.16446	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	809.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31548	0.2
59.01371	0.3
71.01374	0.7
84.54630	0.2
85.02952	0.3
87.00893	0.4
89.03989	0.3
93.03473	0.6
107.15460	0.2
113.02479	0.3
117.03481	40.7
118.03822	1.7
119.05046	4.3
132.02203	0.6
133.02965	0.5
134.03745	3.0
135.04578	0.2
137.02448	0.3
143.04971	0.4
145.02971	100.0
146.03311	5.1
149.06015	0.3
159.04549	0.3
160.01683	3.4
161.02464	1.4
161.06061	0.3
163.04033	2.7
164.04404	0.3
173.06114	0.4
175.04027	3.6
176.04800	0.5
178.02742	0.3
179.03535	0.4
187.03992	1.5
191.07198	0.6
193.05048	2.6
198.44133	0.2
217.05118	0.3
224.23439	0.2
233.17406	0.2
235.06136	1.3
265.07367	0.5
295.08206	0.5
307.08307	2.3
308.08752	0.4
323.07825	0.2
337.09183	0.3
355.10553	0.5
357.01740	0.2
469.13925	0.3
499.14417	0.4
501.13980	0.3
513.32019	0.2
517.15625	0.8
633.18219	0.3
645.18042	1.1
646.19257	0.3
663.19360	8.8
664.19763	2.1
809.22986	8.3
810.23218	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	809.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89532	0.2
59.01374	0.3
66.47688	0.2
71.01392	0.6
73.36790	0.3
87.00906	0.6
88.02464	0.3
93.03451	0.3
101.02448	0.5
113.02453	0.5
117.03481	42.8
118.03798	1.8
119.05042	8.5
132.02223	1.5
133.02974	1.0
134.03766	3.5
135.04555	0.8
137.02560	0.3
145.02971	100.0
146.03300	5.3
149.06100	0.5
160.01671	4.9
161.02496	2.1
163.04025	6.1
164.04321	0.4
175.04015	5.2
176.04680	0.7
179.03546	0.8
191.07184	0.9
193.05042	2.7
217.05057	0.6
235.06158	2.0
265.07190	0.4
286.45337	0.3
292.34171	0.3
307.08490	0.8
316.18954	0.2
323.07852	0.3
329.76135	0.3
355.10468	0.3
356.94183	0.3
370.16943	0.3
403.91794	0.3
444.58218	0.3
444.65448	0.3
453.12036	0.6
469.13489	0.6
487.14526	0.3
488.63196	0.3
615.16687	0.3
633.18127	0.6
645.17853	2.2
659.99878	0.3
663.19305	12.0
664.19830	2.5
769.86670	0.3
809.08820	0.5
809.23016	7.8
810.23358	2.3
823.55011	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	809.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10279	0.3
59.01382	0.3
61.98846	0.4
69.10011	1.6
69.10421	1.0
71.01384	0.5
82.65393	0.3
89.02431	0.5
89.04003	0.4
89.31995	0.3
93.03475	0.4
98.21793	0.6
101.02471	0.3
117.03477	38.1
118.03819	1.4
119.05038	4.3
132.02179	1.3
134.03745	2.8
135.04570	0.4
136.01624	0.4
145.02968	100.0
146.03307	5.4
149.06053	0.3
150.03249	0.6
160.01672	5.7
161.02463	0.6
163.04012	2.7
165.05479	0.4
175.04022	7.4
176.04361	0.6
177.05466	0.4
178.02696	0.5
179.03497	0.6
187.29909	0.3
191.07101	0.4
193.05061	2.7
195.06645	0.4
212.49678	0.3
217.05132	0.5
235.06183	0.5
307.08014	0.4
319.08096	0.3
465.44003	0.3
469.12671	0.3
483.13089	1.3
487.14758	0.9
499.14197	0.5
517.15582	1.5
633.18945	0.5
645.18365	1.6
663.19348	9.6
664.19598	1.8
809.22955	6.9
810.23169	2.5
838.45416	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	809.303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33712	0.6
61.98850	0.8
67.71809	0.6
69.80832	2.5
70.62074	0.5
79.25477	1.0
84.67995	0.6
93.03471	5.5
95.01367	0.6
98.22508	0.8
105.03395	0.6
108.02219	0.6
109.02962	1.6
117.03474	14.8
118.03835	0.7
119.05037	6.3
120.02168	0.6
121.02964	7.9
122.03765	16.6
123.00902	0.7
123.04559	1.8
125.02424	1.0
132.02177	6.3
133.02975	2.2
134.03799	3.6
135.04559	0.8
136.01669	6.1
137.02473	5.1
138.03256	0.6
145.02969	41.5
146.03551	2.2
147.04535	1.3
149.02455	32.6
149.06064	3.0
150.03238	100.0
151.00392	2.4
151.04041	17.6
152.04649	0.8
160.01677	19.4
161.02368	2.1
161.06099	1.4
162.03255	2.2
163.04045	5.5
164.04803	6.8
165.05582	91.7
166.02734	7.1
166.05902	4.6
175.04016	15.7
176.04477	1.4
177.01924	0.9
177.05612	3.1
178.02660	0.6
179.03564	0.9
179.07144	7.6
180.04294	6.8
181.05049	7.2
184.03708	1.0
192.04260	0.7
193.05060	1.7
195.06630	42.6
196.07004	2.1
205.05116	2.6
219.06642	1.0
220.07387	1.0
242.72374	0.7
276.33945	0.6
329.10461	0.7
341.10352	0.8
363.50290	0.6
373.12897	0.7
387.10202	1.0
387.14612	1.9
387.64709	0.7
402.13431	0.8
403.13953	1.0
416.14923	1.0
417.15622	7.5
418.15915	0.9
453.11847	0.9
487.14499	1.1
535.16431	1.4
550.18512	0.8
564.19745	1.3
565.20825	17.6
566.21210	3.8
595.21729	2.3
613.22931	2.7
615.16510	0.7
619.21600	1.0
633.18475	3.4
634.18994	0.8
663.19147	2.3
664.19348	0.8
713.26135	6.8
714.26263	2.0
743.27393	2.8
761.27649	1.1
809.21692	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	809.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.5
61.16953	0.5
61.98832	3.5
69.14660	2.7
69.15070	0.9
71.01350	0.4
77.03969	0.4
89.03948	0.5
91.00582	0.4
93.03469	5.5
95.05058	0.7
98.21719	0.4
108.02201	0.7
109.02985	1.4
117.03484	23.6
118.03813	1.2
119.05019	2.7
121.02979	6.2
122.03761	17.3
123.04559	1.3
124.01670	0.6
124.21819	0.4
125.02496	0.6
132.02184	1.2
133.03017	2.4
134.03764	3.5
135.04576	0.8
136.01689	3.8
137.02470	3.2
145.02971	53.7
146.03293	3.4
147.04546	0.5
149.02455	23.6
149.06104	1.4
150.03242	100.0
151.00401	1.6
151.03998	8.5
152.04646	0.8
159.04436	0.5
160.01662	3.9
161.02408	0.8
161.06087	0.7
163.04016	2.4
164.04822	5.1
165.01895	1.6
165.05586	98.4
166.02771	4.8
166.05925	5.1
175.04016	4.8
177.05650	1.2
179.03603	0.5
179.07164	5.1
180.04297	6.9
181.05087	6.3
187.04030	1.0
193.05080	1.9
195.06642	71.3
196.06990	4.5
205.05083	1.5
219.06567	1.0
220.07341	0.8
225.07648	0.8
329.10269	0.5
339.08377	0.5
372.12585	0.6
387.10483	0.5
387.14737	3.3
397.68640	0.4
402.13062	0.6
403.14096	0.6
416.14743	0.8
417.15631	8.1
418.16049	0.7
565.20837	12.1
566.20880	2.4
595.21826	1.1
613.22998	3.6
614.23108	0.5
663.19525	4.0
664.19409	1.1
713.26013	1.4
714.26440	0.8
761.27966	1.3
809.21765	3.0
810.23242	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	809.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.1
61.98835	18.9
63.09715	2.6
69.77731	13.1
71.01389	6.2
85.00462	3.8
85.13042	2.7
89.02465	3.2
97.06596	3.1
100.46204	2.7
101.02439	3.7
103.01504	6.7
115.64487	2.7
116.92879	19.5
125.02481	5.1
134.04753	3.5
146.03731	2.5
160.59122	2.4
161.04620	4.0
169.01385	3.2
171.10281	6.1
185.39075	2.9
209.11848	100.0
210.12199	7.9
211.13387	8.4
215.12843	3.1
227.12907	33.7
229.14343	5.5
235.08104	13.0
253.09258	28.3
273.90268	2.6
300.99792	3.3
309.20679	15.3
327.21768	85.9
328.22177	6.7
347.94534	2.5
413.85950	2.9
445.20801	10.3
545.29858	8.9
563.30542	8.5
564.30127	3.5
809.41052	27.8
810.40875	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	811.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.6
81.35769	1.6
89.04005	1.8
95.01384	2.6
98.22169	13.0
101.09372	1.6
105.03444	2.0
108.02201	1.4
110.72157	1.3
111.00854	1.5
117.03500	10.3
119.01376	2.4
119.05088	3.4
121.03057	1.4
123.00887	2.7
131.01376	4.9
132.02180	3.7
133.02991	11.4
137.02466	2.3
143.01378	3.9
145.01904	2.4
145.02965	27.7
146.03372	1.8
147.00897	4.6
147.04527	6.9
149.02415	2.5
157.02946	5.7
158.03757	1.4
159.00943	7.3
159.02202	1.4
159.04530	3.0
160.01646	3.2
161.02460	23.4
162.03099	1.9
163.00433	2.9
163.04073	12.2
164.98274	1.8
169.01430	1.6
171.00887	9.9
172.01537	2.4
173.02440	24.7
174.03139	3.0
175.00424	2.5
175.03981	7.0
176.01161	2.0
177.01923	11.6
178.99840	2.8
179.03487	2.4
185.02446	6.3
187.00375	18.5
188.01031	4.4
189.01936	28.7
190.02715	7.9
190.99808	3.3
191.03543	12.9
192.00655	1.6
199.00356	7.0
200.01123	3.1
201.01949	20.7
202.02264	1.6
202.99927	2.6
203.03491	10.8
205.01323	4.5
206.02168	2.3
207.03038	2.2
214.99870	21.6
215.03273	1.7
216.00612	7.7
217.01436	41.5
218.01959	3.7
219.02975	5.2
226.99812	9.4
228.00583	3.1
229.01454	23.2
229.22658	1.9
230.02051	4.0
230.99223	1.8
231.02866	8.3
233.00941	2.8
242.99353	27.6
243.99989	7.8
245.00926	76.4
246.01291	5.3
247.02509	26.0
248.02853	1.5
249.04034	4.8
254.99347	3.1
257.00970	8.2
258.98819	4.2
259.99643	2.7
261.00400	13.2
262.01031	2.2
263.02063	3.7
270.98865	87.8
271.99246	9.8
272.01782	1.5
273.00430	100.0
274.00925	11.9
275.02029	20.2
276.02267	1.9
277.03439	2.1
279.05106	1.5
286.98340	8.0
287.01761	2.5
288.99924	14.0
290.98251	1.9
291.01492	30.1
292.01678	2.2
298.98355	92.2
299.99005	17.6
300.99911	63.3
302.00211	4.3
303.01501	6.4
305.02863	3.6
314.97821	2.6
315.01337	1.7
316.99344	8.5
321.02536	1.8
349.02051	5.6
405.04623	2.1
417.04745	2.9
431.02560	4.2
433.04019	6.0
443.02719	5.1
461.03476	3.4
524.38245	1.7
607.26038	1.9
733.03040	3.0
751.03894	1.7
793.05286	10.6
794.04816	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	811.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52340	1.9
59.49007	2.4
65.00320	3.2
69.21053	16.8
71.01352	2.1
71.40502	2.0
75.82107	2.1
95.01401	2.9
98.22617	2.2
104.92712	1.9
107.66077	1.8
117.03477	9.0
118.95650	1.6
119.05017	3.0
123.00924	4.3
125.02391	2.5
129.03400	3.0
131.01410	4.0
133.02983	8.2
135.04468	2.3
136.02991	2.3
143.01363	6.6
145.02963	27.0
147.00914	2.8
147.04532	8.2
151.00386	2.5
157.02954	6.1
159.00906	3.2
160.01747	2.6
161.02432	22.9
163.04019	17.3
164.02692	2.5
164.98299	2.3
166.46814	2.2
171.00911	9.1
172.62585	2.2
173.02423	19.5
175.04028	8.0
177.01949	9.3
178.99884	3.3
179.03426	2.6
185.02501	6.2
187.00438	12.5
188.00989	3.4
189.01981	19.6
190.02696	7.1
191.03551	13.5
199.00388	8.5
200.01105	5.9
201.01958	19.0
203.03558	10.6
204.00781	2.8
205.01411	3.5
214.99905	25.0
216.00682	7.3
217.01413	35.2
218.01910	4.8
219.02982	5.6
226.99858	10.4
229.01457	23.2
231.02986	6.0
231.99989	2.8
233.00755	3.7
242.99377	23.1
244.00153	9.9
245.00934	57.9
246.01384	3.7
247.02449	23.5
248.02840	2.7
249.04102	4.3
254.99249	3.5
257.00897	6.0
258.98795	3.7
259.99768	3.5
261.00494	11.4
270.98889	76.0
271.01904	3.6
271.99316	9.0
273.00433	80.4
274.00778	5.0
274.99408	3.1
275.02029	25.8
277.03354	2.9
284.10086	2.4
286.98254	4.8
289.00046	9.1
291.01517	22.2
298.98373	100.0
299.98975	20.6
300.99893	70.5
302.00287	6.7
303.01514	9.4
305.03058	4.7
316.99396	7.7
349.01712	4.2
431.02121	2.4
433.04236	2.3
461.03522	3.3
707.05688	2.6
751.04102	4.8
761.02655	3.4
776.20319	2.5
793.05286	12.1
811.05817	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	811.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06912	0.7
59.01385	3.1
72.99326	5.9
79.28107	0.7
85.02995	0.8
87.00885	12.8
87.01402	1.1
87.71360	0.9
103.00381	3.2
107.05035	2.6
112.98829	1.5
126.87943	0.7
130.99884	0.8
134.03754	6.6
135.04541	82.7
136.04871	4.8
149.00931	100.0
150.01302	3.0
163.04001	0.7
169.01471	0.7
170.45969	0.8
179.03514	95.7
180.03850	4.9
213.65382	0.8
270.98846	1.7
275.01794	1.0
298.98337	3.0
300.99869	2.5
311.04129	12.6
312.04184	0.9
481.06152	1.2
612.13971	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	811.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.0
62.31217	2.0
70.96007	2.9
73.02950	3.0
73.75381	1.7
75.73584	2.0
85.59093	1.9
99.08152	19.9
113.06111	5.1
115.07668	80.3
116.08057	2.4
119.05043	53.5
120.05379	2.2
143.07130	15.0
159.06665	8.5
163.04021	100.0
164.04384	6.6
210.48363	1.8
214.16052	2.0
282.89560	2.3
351.10764	9.6
574.55182	2.1
618.02545	2.3
653.61548	2.2
675.30170	2.6
770.31586	2.2
789.12732	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	813.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94814	2.0
65.00347	3.2
66.04478	1.8
66.34148	2.0
67.01882	2.8
69.55818	12.4
71.01360	3.9
73.02963	2.2
76.24268	1.8
80.17240	1.7
84.27657	1.9
85.02944	5.5
89.03958	2.7
89.52478	2.0
91.01917	4.2
95.01392	6.8
99.00896	7.0
101.03950	3.5
103.01991	2.0
106.97556	2.3
108.02109	2.0
109.02950	6.3
117.03455	9.2
119.01386	6.7
119.05004	6.5
119.53099	2.0
121.02952	7.3
123.00877	3.9
123.04517	2.7
125.02452	9.6
129.03450	5.1
131.01401	4.3
131.05040	2.7
132.02122	2.4
133.03011	12.7
135.00937	2.8
135.04498	8.3
137.02458	33.4
139.00417	2.1
141.03552	2.5
143.01443	3.6
145.02963	33.9
146.03700	3.3
147.00885	5.9
147.04568	14.1
149.02437	24.1
151.04005	3.7
157.02960	14.3
158.03700	2.8
159.00847	3.1
159.04549	10.5
160.01596	2.9
161.02473	26.7
163.00401	30.8
163.04070	18.0
164.00795	2.3
165.01950	9.6
166.99901	3.0
169.01431	7.8
171.00908	9.3
172.01666	3.1
173.02444	29.6
174.03087	5.9
175.00410	3.3
175.04005	19.1
176.01160	4.9
177.01938	16.4
177.05518	5.6
179.03490	5.3
185.02452	9.0
187.00343	8.5
187.04025	7.5
188.01166	4.3
189.01933	29.1
190.02785	11.4
190.99901	14.3
191.03503	29.6
192.00528	3.0
193.01410	20.7
195.03088	2.5
199.00406	10.5
200.01094	5.8
201.01962	32.0
202.02538	4.9
202.99823	2.0
203.03555	35.4
205.01451	9.1
205.05069	9.5
206.02286	2.9
209.00883	5.1
213.01944	6.5
214.99850	9.5
216.00554	4.7
217.01414	36.9
218.01857	3.4
218.99432	4.3
219.03021	17.8
221.04485	3.7
226.99878	12.0
228.00595	4.1
229.01425	40.5
229.40797	2.1
230.02176	4.2
230.99437	2.3
231.03001	32.1
233.74600	2.1
235.02477	4.5
237.00439	14.3
237.07683	3.4
242.67589	2.5
242.99356	17.2
243.99988	7.4
244.98499	3.0
245.00954	53.0
246.01440	6.0
247.02484	63.1
248.02951	3.7
249.04085	12.7
254.99393	4.2
257.00937	11.0
259.99457	2.4
261.00461	14.3
261.03012	2.7
262.00674	2.6
263.01923	8.6
263.05627	5.9
270.98865	52.2
271.99377	9.2
273.00424	89.0
274.00867	9.0
275.02039	40.3
276.02264	2.9
279.05045	3.0
281.06839	3.5
288.99902	5.4
291.01541	29.0
292.01807	3.5
298.95636	1.8
298.98343	88.0
299.99033	24.8
300.99927	100.0
302.00241	8.4
303.01373	2.6
305.02960	4.7
307.04675	22.3
308.05142	3.0
315.98694	2.4
316.99374	8.3
325.05783	4.5
337.02740	2.5
349.01996	4.0
351.03641	25.1
387.03647	2.8
389.05246	2.7
399.03409	6.7
405.04425	2.4
417.04639	6.8
433.03955	5.0
443.02911	9.9
461.03738	6.3
463.05017	3.4
769.08539	4.4
785.07556	3.5
795.06854	49.2
796.07593	11.6
813.07660	8.5
814.08008	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	813.08
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49890	1.0
65.00317	2.5
69.24239	2.8
69.24648	4.7
78.94162	1.0
79.51765	1.1
80.50379	1.0
91.01888	1.1
95.01385	2.5
98.22579	2.4
107.01439	1.3
115.08667	1.0
117.03473	6.2
119.05000	3.4
121.02982	1.6
123.00892	4.0
125.02422	3.1
129.03499	2.8
131.01376	1.3
131.05070	1.6
133.02965	7.2
135.04573	1.3
137.02480	4.3
140.23672	1.1
143.01445	2.1
145.02954	15.3
146.03372	1.2
147.00987	1.7
147.04515	6.6
148.01685	1.6
149.02470	2.6
151.04031	1.4
157.02983	5.0
158.03734	1.8
159.00908	1.8
159.04494	4.5
160.01683	2.1
161.02495	12.2
163.00383	7.1
163.03998	9.0
164.01042	1.5
164.98294	1.4
165.01939	1.1
171.00870	3.5
172.01694	1.1
173.02461	16.1
174.02907	1.6
175.04012	10.0
176.01128	1.4
177.01967	7.5
179.03554	1.9
185.02525	5.7
187.00345	4.0
187.04048	2.1
188.01035	2.0
189.01955	16.7
190.02658	5.2
190.99849	2.8
191.03517	13.8
193.01389	2.4
199.00380	5.2
200.01141	3.7
201.01955	19.6
202.02470	1.8
203.03494	14.6
204.03932	1.6
205.01488	2.2
206.99469	1.7
207.02931	1.6
209.00865	1.2
213.01952	4.7
214.02599	1.8
215.00014	5.2
216.00575	2.9
217.01396	23.3
218.01938	2.6
219.03056	8.1
226.99866	5.6
228.00572	2.9
229.01430	25.2
230.01958	4.6
231.02980	12.5
232.03564	1.3
233.00874	1.7
235.02390	1.6
237.00371	1.8
242.99359	11.0
244.00099	3.6
245.00909	38.6
246.01392	4.9
247.02477	20.1
248.02937	2.7
249.04057	12.0
250.04312	1.2
257.00919	16.0
258.01642	5.6
259.99612	1.7
261.00378	4.5
263.01929	3.3
270.96216	1.9
270.98895	22.2
271.99313	4.1
273.00424	61.9
274.00955	6.6
275.01981	73.4
276.02298	6.1
283.99689	3.0
288.99707	1.6
291.01556	10.3
292.01926	1.7
298.98343	50.0
299.99023	14.0
300.99918	100.0
302.00320	9.8
303.01471	1.6
316.99414	3.5
319.01022	2.1
331.00949	2.0
333.02603	2.6
399.03619	2.3
405.04633	2.0
417.04593	3.0
425.01682	1.4
428.12494	1.1
433.04114	4.2
435.70724	1.4
443.02646	2.9
445.04279	1.4
461.03656	7.7
463.05289	5.3
687.63348	1.3
735.04272	1.3
745.03345	3.6
753.05914	1.7
763.04352	4.8
764.05389	1.9
781.05212	3.7
795.06689	6.2
796.06732	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	813.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26889	0.8
66.92081	1.0
80.87472	0.8
89.04028	1.0
95.01393	1.3
104.09093	1.0
104.39243	0.9
117.03528	2.2
119.05021	1.1
123.00896	1.7
125.02478	2.1
129.03546	1.3
133.02971	2.7
137.02446	1.1
145.02968	7.6
147.04541	3.1
157.02977	2.4
159.04544	2.4
161.02487	5.0
163.04044	2.9
171.00935	2.5
173.02419	7.3
174.02859	1.2
175.04051	5.2
177.01950	1.9
185.02458	4.4
187.00514	0.9
189.01953	6.5
190.02708	2.2
191.03571	3.7
199.00403	3.2
200.01056	2.1
201.01967	10.2
202.02618	1.3
203.03543	9.4
204.03854	1.0
205.01482	1.2
213.02025	1.9
216.00658	1.2
217.01443	5.5
219.02940	3.0
226.99869	4.6
229.01411	16.3
230.01883	1.6
231.03036	6.0
242.99237	1.6
244.00308	1.3
245.00951	15.1
246.01398	1.3
247.02443	5.9
249.04030	7.7
257.00952	9.0
258.01663	2.5
261.00354	1.5
270.98849	5.6
271.99582	1.4
273.00461	22.2
274.00983	3.9
275.01987	32.3
276.02319	3.0
283.99704	1.9
291.01501	4.2
298.98373	10.7
299.99054	5.6
300.99933	100.0
302.00208	9.1
461.04016	1.4
463.05396	2.2
479.04907	1.5
607.84174	1.0
745.03815	3.1
763.03937	3.9
781.05450	7.0
782.05731	2.2
795.05847	1.3
813.07996	8.2
814.08282	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	813.08
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.4
69.91163	4.4
69.93498	1.2
74.20747	1.2
95.01399	3.0
98.22562	1.9
98.64489	1.1
109.02934	1.5
111.00899	1.4
117.03454	5.2
122.52647	1.1
123.00894	5.1
125.02461	4.3
127.35919	1.2
129.03462	2.2
131.01398	1.7
131.04993	2.0
133.02936	4.8
135.04524	2.8
137.02486	2.9
145.02968	13.7
147.04518	4.0
149.02426	1.8
157.03008	6.1
158.03571	1.4
159.00842	1.9
159.04488	4.7
161.02425	9.4
163.00392	3.4
163.04010	6.4
165.01907	1.8
169.01578	1.3
171.00891	4.8
172.01630	1.7
173.02469	14.0
174.02950	1.9
175.03995	8.6
177.01987	5.3
179.03374	1.7
185.02429	8.8
187.00400	1.9
187.03940	1.6
189.01953	11.8
190.02655	3.4
190.99937	1.9
191.03545	11.8
199.00342	5.1
200.01140	2.6
201.01985	16.5
203.03523	13.4
204.03984	1.5
205.01448	2.7
213.02003	1.9
214.99863	3.1
216.00624	2.4
217.01437	17.0
219.02965	5.0
221.04509	1.6
226.99843	5.6
228.00459	1.9
229.01445	26.4
230.01965	4.2
230.99568	1.4
231.03035	11.7
235.02487	1.7
237.00444	1.6
237.39146	1.5
242.99258	6.6
244.00047	2.4
245.00954	22.3
246.01515	3.0
247.02516	18.1
248.03014	1.8
249.04088	7.5
254.99362	3.3
257.00980	15.7
258.01624	4.4
261.00314	3.8
263.01971	2.4
270.98871	20.2
271.99411	3.8
273.00418	34.9
274.00943	3.5
275.02017	44.6
276.02344	4.0
283.99609	2.4
291.01379	5.7
293.03030	1.7
298.98340	32.6
299.99033	12.3
300.99927	100.0
302.00214	8.7
305.02933	2.0
314.66043	1.3
316.99329	2.7
333.02664	2.6
349.02090	1.9
399.03503	1.8
417.04660	2.6
461.03598	5.2
538.32092	1.3
676.41199	1.7
681.95245	1.4
745.03180	8.1
746.03577	2.1
753.05084	1.8
763.04413	8.5
764.04175	1.7
781.05304	5.8
782.06201	2.5
795.06305	8.3
796.06860	2.8
813.08820	5.9
814.07715	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	813.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	1.2
93.03466	1.2
108.88625	0.9
116.64813	0.9
117.03491	3.3
119.05055	1.7
119.43920	0.9
123.00886	2.1
125.02440	1.9
129.03473	2.2
133.02957	1.9
138.20993	0.9
143.01385	1.4
145.02980	8.8
147.04498	3.3
149.02420	1.7
157.02945	3.3
159.00941	1.1
159.04535	2.7
161.02473	5.0
163.00365	1.7
163.04044	4.4
164.01237	1.1
171.00920	3.5
172.01596	2.1
173.02451	8.3
175.04005	4.8
177.01950	2.8
185.02443	5.1
187.00333	2.0
187.04024	2.1
189.01923	6.2
190.02655	3.8
191.03522	7.2
199.00386	3.4
200.01122	1.9
201.01938	12.1
202.02333	1.1
203.03523	8.9
205.01479	1.4
214.99899	1.2
216.00569	1.0
217.01372	9.3
218.02074	1.7
219.03072	2.2
226.99898	4.6
228.00641	2.1
229.01428	17.5
230.01933	2.9
231.02980	7.5
236.61156	0.9
242.99344	3.7
244.00009	1.2
245.00935	13.9
246.01457	2.0
247.02484	9.0
249.04037	7.8
254.99335	1.4
257.00909	8.6
258.01602	3.9
261.00385	2.1
263.01822	0.9
270.98849	10.2
271.99231	2.2
273.00446	17.8
274.00952	2.9
274.99063	2.0
275.02002	28.9
276.02283	2.7
283.99655	2.4
291.01532	3.0
298.98346	18.5
299.99008	10.0
300.99921	100.0
302.00253	10.4
308.93121	1.0
316.99506	1.2
319.00903	1.1
331.01138	0.9
445.04636	1.2
451.05185	2.1
461.03677	4.0
479.04791	1.5
514.27014	0.9
725.07147	1.1
745.03009	10.0
746.03619	3.3
753.05640	1.9
763.04474	11.9
764.04437	1.9
781.05554	8.5
782.06549	1.0
813.08087	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	813.08
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
69.03441	0.9
69.04350	7.5
70.68374	0.7
70.81141	0.7
85.02930	1.9
95.01378	1.8
108.02171	1.1
109.02984	1.4
117.03484	3.5
119.05018	1.5
121.02962	1.3
123.00913	3.3
123.04486	1.4
124.01693	1.0
125.02464	18.8
126.02874	1.6
129.03508	1.4
133.02974	3.0
135.04478	1.3
136.21202	0.7
137.02466	1.8
141.03494	0.9
141.21759	0.8
145.02946	8.8
146.03401	0.8
146.29678	0.8
147.04581	4.0
147.74132	0.8
149.02454	1.3
151.04028	1.2
157.02956	2.3
158.03688	0.9
159.04546	2.6
161.02460	5.8
162.02951	0.9
163.00333	1.5
163.04048	4.3
164.01199	1.2
169.01450	12.0
170.01726	1.4
171.00888	4.1
172.01642	0.7
173.02449	10.2
174.03169	1.5
175.03992	5.3
177.02016	4.1
178.02570	0.9
185.02423	5.9
186.03081	1.1
186.05476	0.9
187.00372	2.0
187.04033	1.1
188.01082	0.8
189.01915	7.7
190.02570	2.4
191.03525	6.1
199.00366	4.3
200.01036	1.8
201.01955	13.2
202.02687	1.3
203.03493	6.8
204.03867	0.8
205.01471	1.7
213.01949	2.5
214.99861	2.2
216.00612	1.9
217.01459	9.1
219.02950	3.5
221.04581	1.0
226.99879	6.1
228.00494	1.3
229.01447	20.3
230.02007	2.4
231.03027	7.7
233.00922	1.1
242.99397	2.9
243.03012	1.7
244.00113	1.5
245.00955	15.8
246.01398	2.1
247.02495	8.0
249.04068	4.5
254.99361	1.9
257.00925	12.5
258.01559	2.9
259.99557	1.4
261.00464	2.7
270.98779	6.2
271.99310	1.0
273.00449	19.2
274.01025	4.2
275.01999	38.3
276.02383	2.7
283.99591	2.2
287.02039	0.9
287.05551	1.2
289.07196	1.2
291.01425	4.0
298.98364	16.8
299.99063	9.2
300.99924	100.0
302.00262	10.6
303.01056	0.9
303.05270	1.7
316.99402	1.5
319.00897	1.2
331.01273	1.2
333.02655	1.2
396.99045	1.0
451.05032	1.7
461.03720	2.5
463.05130	1.5
479.05109	0.9
599.10815	0.9
612.04016	0.8
630.66144	0.8
735.05035	1.2
745.03052	8.4
746.03320	2.6
753.04980	1.4
763.04211	8.6
764.04364	3.2
781.05420	10.7
782.05304	3.3
813.08075	10.9
814.08069	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	813.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35214	0.3
63.20823	0.4
68.66906	0.3
70.10932	0.4
71.01369	0.4
71.25236	0.4
85.02936	0.4
88.00240	0.4
95.01398	1.1
98.22037	0.5
107.01387	0.6
111.00883	0.6
117.03477	0.9
123.00066	0.4
123.00869	1.8
125.02467	3.2
129.03529	0.4
133.02971	1.7
135.04559	2.2
137.02483	0.8
139.00356	0.5
145.02972	2.1
147.04541	0.9
157.02945	1.2
161.02435	2.6
163.00420	1.3
163.03993	1.2
166.99812	0.7
168.00635	0.5
169.01466	2.2
171.00894	0.4
173.02434	2.6
175.00395	0.5
175.04001	1.1
177.01987	0.8
179.03488	1.2
185.02455	2.4
187.00334	0.5
189.01923	1.7
191.03517	1.5
193.01382	0.6
201.01909	3.5
203.03523	1.7
205.05083	0.5
213.01932	0.6
214.99876	1.2
217.01450	2.1
219.02959	0.7
226.99876	0.7
228.99411	0.5
229.01454	5.2
230.01872	0.8
231.02945	1.8
232.03703	0.4
242.99275	1.2
243.99985	0.4
245.00920	4.2
247.02437	2.0
249.04004	1.4
257.00912	4.9
258.01398	0.8
261.00513	0.6
263.01932	0.4
270.98825	2.6
273.00446	4.5
274.01016	1.0
275.02002	7.9
276.02335	0.5
283.99631	1.6
289.00052	0.4
291.01447	0.6
298.98355	5.6
299.99164	3.1
300.02289	0.6
300.99927	100.0
302.00293	8.8
313.05670	1.2
315.01373	0.6
316.99277	0.4
356.23782	0.5
442.02432	0.5
447.05548	0.6
463.05093	1.1
600.25433	0.4
614.34509	0.4
615.06384	5.0
616.06177	0.9
795.10498	9.3
796.10986	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	814.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.98148	0.3
67.67627	0.3
69.54874	1.8
70.70634	0.3
71.02505	0.3
72.99311	0.3
75.00883	0.7
80.96540	1.1
94.51743	0.3
105.70593	0.3
119.19984	0.3
166.99352	0.4
169.12231	0.3
181.17484	0.3
209.11960	0.4
211.13391	2.2
230.48273	0.3
253.09398	0.5
309.20847	0.8
630.61938	0.4
815.38977	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	814.424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71913	0.1
61.98836	100.0
62.98555	0.2
64.98164	0.1
72.99337	0.2
75.00881	0.4
96.49653	0.1
111.53488	0.1
116.74837	0.1
164.20557	0.1
209.11914	0.2
211.13496	0.2
229.01886	0.2
244.15385	0.1
246.27721	0.1
257.22760	0.1
293.21140	0.2
339.49304	0.1
411.36490	0.1
844.10114	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	814.461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.98837	100.0
69.76520	0.5
69.76935	1.3
72.87510	0.3
75.00888	0.4
80.96542	0.5
89.26994	0.3
113.02522	0.5
117.80483	0.3
123.16431	0.3
150.56345	0.4
150.80013	0.3
183.13857	0.5
211.13399	9.2
212.13873	0.7
253.09384	0.6
291.19580	1.9
309.20767	6.3
310.21277	0.8
314.91202	0.4
447.22607	1.0
527.29193	0.5
545.29645	1.3
546.30170	0.5
607.30823	0.4
658.96979	0.4
739.42975	1.2
740.44678	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	815.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	2.9
70.09233	5.8
70.99787	1.5
71.39643	1.4
73.92982	1.5
87.27335	1.4
89.03982	3.0
89.79541	1.4
95.01398	3.1
103.05532	1.7
105.03450	2.0
108.02229	1.6
109.02968	2.2
117.03500	8.5
119.05036	5.5
123.00907	8.0
123.04594	2.4
124.01662	1.9
125.02453	12.7
131.01355	1.7
131.04994	2.0
132.02209	1.5
133.02979	9.1
135.04544	6.0
137.02516	3.1
143.01378	3.3
145.02966	17.3
147.00876	3.2
147.04521	9.4
149.02478	3.2
157.02957	2.6
159.00917	2.4
159.04509	4.8
160.01654	2.9
161.02467	23.7
162.03253	2.2
163.00388	3.9
163.04022	13.5
165.01883	2.5
165.52905	1.5
169.01443	7.2
171.00882	5.5
173.02431	18.4
174.03236	3.1
175.00346	2.7
175.04034	11.1
176.01189	1.9
177.01878	7.9
185.02455	3.7
187.00394	8.3
189.01953	24.4
190.02721	11.7
190.99899	2.8
191.03520	33.0
193.01462	2.5
199.00453	4.9
201.01988	19.8
202.02486	1.8
203.03517	17.0
205.01468	5.7
207.03006	2.3
209.00984	3.4
214.99942	10.3
215.03510	2.0
216.00548	4.5
217.01450	36.0
218.02036	2.6
219.03047	17.6
221.04683	3.1
226.99838	4.5
229.01439	19.1
230.02118	3.9
231.03027	12.5
233.00946	3.7
235.02538	6.2
239.03610	2.1
242.99362	13.5
243.03053	2.0
243.99976	3.9
244.98393	2.9
245.00928	52.5
246.01447	5.0
247.02475	72.4
247.05011	3.5
248.02881	4.1
249.04105	8.8
254.99268	1.9
257.00854	9.7
258.01556	3.2
258.99088	2.4
259.02261	2.5
259.99435	2.6
261.00360	14.6
263.01898	3.9
270.98853	34.8
271.99301	2.9
273.00430	55.3
274.00800	5.2
275.01996	30.2
276.02176	2.1
283.99680	2.0
286.98468	4.3
287.01944	1.6
289.00128	4.0
290.00107	2.0
291.01492	23.5
292.01993	3.2
298.98401	31.9
299.99008	9.6
300.99918	100.0
302.00153	9.0
303.01123	1.8
316.99582	2.4
333.02667	3.8
349.97375	1.6
363.03809	2.0
405.04742	2.3
417.04474	2.7
435.05878	4.3
449.03479	4.7
462.04150	1.9
463.04398	1.9
707.04846	3.4
725.05865	7.6
726.06757	2.3
733.03271	3.3
735.04755	10.8
736.04749	3.0
743.01593	3.0
751.04022	14.6
752.04230	2.7
753.05865	3.8
779.03772	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	815.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	2.0
68.40380	1.7
69.10690	4.4
69.11092	12.8
71.01371	1.8
71.54535	2.0
90.10600	1.8
91.05505	1.9
93.03475	1.9
95.01368	2.6
113.02499	2.0
113.44493	2.0
117.03497	7.1
119.05000	2.2
121.02971	2.5
123.00925	4.6
125.02468	5.3
129.03471	3.9
131.01419	2.7
131.04950	2.3
133.03017	10.7
135.04533	5.2
135.30266	1.7
137.02434	2.6
143.01448	3.0
145.02986	15.5
147.04538	11.9
149.02481	2.2
149.49678	1.9
157.02994	4.2
159.00879	3.1
159.04570	3.6
160.01718	2.4
161.02455	18.9
163.00356	5.3
163.04071	12.3
165.01950	2.6
171.00908	4.2
173.02431	17.4
174.03192	2.4
175.04016	9.2
176.01193	3.3
177.01965	6.0
179.03549	2.4
185.02451	4.6
187.00374	8.1
188.01004	2.4
189.01944	18.5
190.02641	6.5
191.03519	26.6
199.00302	3.7
201.01912	15.6
202.02376	2.7
203.00171	2.1
203.03554	11.9
205.01428	2.6
213.01868	2.3
214.99892	11.1
215.98009	2.3
216.00555	1.8
217.01434	27.9
218.02219	4.0
219.02937	10.8
226.99950	4.7
227.03490	3.0
229.01430	23.8
230.02161	4.1
231.03003	9.5
235.02463	4.3
242.99382	12.9
243.03041	3.4
244.00009	4.0
245.00912	35.5
246.01474	2.9
247.02518	53.1
248.02975	4.5
249.04089	6.6
257.01056	10.0
258.01602	4.2
259.02463	2.8
259.99786	3.2
261.00513	16.0
263.02036	4.6
270.98856	30.8
271.01639	3.8
273.00461	38.0
274.01010	4.7
275.02002	35.8
283.99738	2.5
285.04108	10.3
286.98346	6.1
288.99942	3.5
291.01532	14.6
298.98340	30.9
299.01938	11.1
299.98926	6.5
300.99951	100.0
302.00281	7.2
316.99484	2.2
333.02368	2.3
343.01016	6.5
357.06485	1.9
405.04370	2.2
449.03592	6.0
451.05072	2.1
507.60068	2.1
707.04700	5.6
725.06140	4.4
733.02582	4.3
735.04504	6.3
736.04437	2.2
751.04340	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	815.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00362	1.7
68.99936	19.9
117.03495	9.2
119.05019	5.6
121.02979	2.7
123.00890	3.0
125.02441	2.8
129.03445	2.4
133.02975	7.9
135.04585	3.2
143.01430	2.5
145.02943	19.6
147.00885	3.6
147.04559	9.2
149.02391	3.3
153.01938	1.8
157.03017	2.8
159.04514	2.6
161.02449	20.0
163.00400	2.5
163.04033	10.6
165.05544	1.9
165.59532	1.8
168.25763	1.9
171.00935	4.6
173.02457	14.3
174.03180	2.3
175.00340	2.4
175.03976	9.7
177.01958	6.6
179.03580	1.9
185.02457	5.4
187.00374	6.7
189.01944	20.5
190.02666	4.5
190.99852	3.3
191.03526	23.2
200.01154	2.7
201.01924	16.8
203.03526	11.1
205.01474	4.5
213.01784	1.8
214.99944	11.3
215.03456	2.4
216.00583	3.9
217.01434	23.4
218.02017	5.0
218.99310	2.4
219.03032	11.0
221.04547	2.1
226.99797	4.9
229.01472	16.9
230.01978	5.2
231.03029	7.7
233.00993	2.4
235.02396	3.7
242.99388	13.1
244.00121	2.2
245.00926	31.7
246.01331	2.7
247.02499	48.2
249.04079	9.5
254.99226	2.4
257.00992	5.3
258.01608	3.0
259.02515	3.0
259.99612	3.9
261.00433	13.7
263.02017	4.2
270.98874	26.6
271.99277	5.3
273.00430	37.2
274.00867	4.0
275.01941	30.0
276.02185	1.9
283.99615	2.4
285.04166	3.0
286.98343	4.4
289.00156	2.5
291.01517	15.7
298.98398	28.6
299.01740	3.9
299.98904	8.4
300.99911	100.0
302.00107	9.4
323.88208	1.9
333.02795	2.4
405.04697	4.9
417.05127	2.9
431.02884	2.3
449.03879	2.7
463.04730	2.1
691.05560	2.4
707.05273	2.7
725.07031	3.8
735.04761	5.1
751.04272	5.7
752.04315	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	815.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28542	1.2
65.00327	1.7
79.01899	1.3
89.97778	1.2
95.01410	7.4
107.01382	3.2
109.02936	1.3
117.03490	2.6
119.05029	1.4
123.00895	13.4
125.02470	27.8
126.02757	1.9
129.03482	1.5
133.02986	3.7
135.04605	1.3
137.02438	1.8
139.00359	2.1
144.70601	1.1
145.02982	7.9
147.04541	4.5
151.00365	2.2
157.02971	2.1
159.04546	1.8
161.02475	7.6
163.00392	2.4
163.04053	3.5
165.01953	1.2
166.99870	5.8
169.01456	27.7
173.02458	8.1
174.03076	1.6
175.04018	4.9
177.01978	3.9
185.02440	4.0
187.00401	2.7
189.01923	8.5
190.02696	5.3
190.99791	2.6
191.03499	5.2
193.01401	2.0
199.00410	2.8
200.01062	2.0
201.01971	12.9
202.02385	1.3
203.03520	7.0
205.01385	2.6
214.99918	3.3
216.00623	1.9
217.01437	12.6
218.02054	2.4
219.03033	3.6
226.99887	2.6
228.00499	1.3
229.01439	15.7
229.13515	1.6
231.02989	5.2
233.00996	1.8
235.02429	2.1
242.99315	9.7
243.03090	1.3
244.00101	3.7
245.00922	16.8
246.01503	2.4
247.02502	14.6
249.04068	5.0
254.99382	1.6
257.00888	7.6
258.01758	2.3
261.00430	3.4
270.98868	33.9
271.99377	4.1
273.00406	19.9
274.00848	3.9
275.01959	18.9
283.99564	2.9
288.99963	1.3
290.00870	1.2
291.01526	5.0
298.98355	59.6
299.98892	13.1
300.99927	100.0
302.00183	9.4
305.02991	4.0
313.05719	2.2
316.99457	1.7
331.01001	1.6
349.02191	2.8
465.06662	2.1
481.06546	6.6
489.63531	1.2
692.85400	1.3
755.06799	2.2
765.06366	8.3
783.06659	13.5
784.06897	4.5
815.09418	19.9
816.09540	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	815.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35387	4.8
95.01371	1.1
123.00912	1.0
125.02474	1.2
145.02962	3.4
147.04546	2.2
157.02977	2.6
159.04555	1.4
161.02467	1.9
163.04048	1.6
164.10574	0.8
173.02438	3.4
175.04008	2.8
185.02411	4.4
189.01933	1.9
190.02766	1.5
191.03481	3.4
199.00220	0.8
201.01945	7.4
203.03537	7.7
213.01967	1.6
217.01445	2.3
218.01947	1.0
219.03001	2.1
229.01439	16.0
230.01849	1.6
231.02936	5.4
244.00015	0.9
245.00902	4.0
247.02531	4.5
249.04066	6.2
257.00928	14.7
258.01724	4.4
268.29858	0.8
271.99954	1.0
273.00424	2.2
274.01184	2.0
275.01999	44.4
276.02374	4.5
283.99597	4.5
298.98248	0.8
299.99240	4.9
300.99911	100.0
302.00284	8.7
302.69461	0.7
312.92767	0.9
319.01080	0.9
481.06232	2.0
743.15729	0.8
783.06940	15.6
783.20782	0.7
784.06561	3.9
815.09631	18.0
816.09833	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	815.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.01129	1.1
59.01387	13.2
71.01399	2.3
73.00861	0.7
82.16236	0.7
85.02480	1.1
85.02960	15.8
89.02464	3.1
95.01344	1.0
101.02443	2.5
107.01395	0.8
113.02486	1.8
119.03513	2.5
123.00905	3.2
125.02450	10.6
129.01971	5.1
129.05568	2.3
135.04546	3.2
139.00404	1.0
140.01195	1.3
145.02977	1.5
147.03079	0.9
147.04501	0.9
151.00406	1.8
153.01936	0.7
157.02942	0.8
161.02419	1.7
163.03963	1.0
167.03499	0.8
168.00690	3.7
169.01439	17.2
173.00925	3.8
173.02373	1.7
175.04082	1.2
179.03481	1.0
185.02519	1.4
191.01999	15.1
191.03514	1.4
201.01917	2.5
203.03505	2.0
211.02501	18.0
217.01463	2.1
219.03142	1.0
226.99829	1.2
229.01416	5.4
231.03070	1.5
241.03603	1.0
245.00974	1.8
247.02510	3.3
249.04121	1.3
257.00995	3.8
258.01596	0.8
270.98773	1.1
271.04611	32.5
272.04944	1.9
273.00510	2.3
275.02054	8.4
282.05484	0.7
283.99490	1.8
291.01617	0.9
298.98395	3.0
299.99127	2.0
300.99915	40.2
302.00272	4.4
309.11975	7.6
331.06760	3.1
353.05182	1.6
399.13138	3.3
401.11020	3.6
461.13049	100.0
462.13272	9.0
481.06158	1.6
540.96686	1.0
775.98193	0.8
783.07111	2.1
844.56299	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	815.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01383	3.2
63.96247	2.4
65.75575	0.6
69.03451	0.8
69.12146	1.9
69.12568	3.1
71.01390	9.2
73.02961	2.5
78.95911	1.2
78.98601	8.2
79.95743	16.5
80.96526	100.0
81.03465	0.9
85.02944	3.6
87.00880	3.7
94.98096	22.9
96.96021	2.2
97.02954	1.6
99.00922	0.8
101.02454	3.9
106.98093	4.2
122.97593	3.7
125.02421	3.0
127.00105	1.1
127.04037	1.1
134.97589	6.3
136.99167	1.3
141.01736	1.9
146.97607	0.7
148.99161	7.8
152.98630	6.7
152.99710	0.9
164.98643	14.6
167.00360	0.7
195.56825	0.7
206.99675	3.5
225.00766	19.2
255.23404	1.9
256.23834	0.9
277.21902	2.3
305.02475	0.9
537.27881	1.2
559.25916	2.0
815.49951	96.4
816.50238	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96210	6.1
68.96634	6.3
69.98634	1.1
76.05974	1.3
98.21799	2.6
98.22449	3.1
120.68656	1.0
121.73556	1.1
125.02460	1.4
128.10791	1.9
130.08739	8.3
151.00401	2.0
161.02496	1.6
163.00272	1.4
169.01413	1.4
173.02376	1.2
191.03481	1.4
193.01479	1.1
201.01982	2.0
229.01390	2.2
240.23856	1.2
243.02998	5.3
245.00899	2.4
247.02441	2.8
255.03006	12.6
256.03299	1.6
270.99527	2.2
271.02533	28.8
272.02951	3.7
273.00433	3.2
275.01892	6.8
298.98715	1.9
299.01880	7.2
300.02783	100.0
300.99838	8.3
301.03152	10.3
315.05136	72.1
316.05472	7.1
338.19836	6.5
387.07504	1.1
477.10428	99.5
478.10837	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	816.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.4
61.98835	100.0
69.64136	1.7
71.01387	0.4
80.96535	0.6
81.40637	0.3
98.22172	0.8
98.63943	0.3
116.92886	0.7
197.11885	0.8
207.10234	0.4
263.02258	0.4
275.02002	0.5
291.19751	0.5
300.99957	0.8
309.20898	0.7
503.19965	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	817.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38454	1.4
67.00377	1.6
71.19309	1.4
82.79684	1.3
89.03983	2.7
95.01409	3.6
98.22602	3.9
98.47139	1.4
109.02956	3.2
110.95865	1.5
111.00894	1.8
117.03485	2.4
119.05040	4.3
121.02963	2.3
123.00902	5.2
125.02435	5.2
127.25156	1.4
129.03508	1.8
133.02965	7.3
135.04466	2.3
137.02470	5.4
145.02953	8.4
147.04538	6.7
149.02480	2.8
149.05994	2.5
151.04062	2.0
157.02977	4.2
159.04503	8.7
161.02464	8.1
163.00363	6.9
163.04016	8.1
164.01186	1.6
165.02022	1.8
165.05473	1.7
171.00940	1.7
173.02437	11.8
174.33974	1.5
175.04031	11.6
176.04404	1.5
177.01927	6.6
185.02477	6.5
187.03998	2.6
189.01938	8.6
190.02704	4.7
190.99869	1.9
191.03488	18.7
192.00645	2.0
193.01421	3.0
199.00299	2.9
200.01131	2.2
201.01981	15.0
202.02541	1.8
203.03523	14.0
205.01404	2.1
205.05023	3.7
213.01859	2.5
214.99870	2.7
217.01431	14.0
218.01993	3.1
219.02983	11.2
221.00922	2.0
221.04543	7.0
222.01398	1.5
226.99893	2.4
229.01436	28.6
230.01967	2.3
231.02969	15.7
242.99332	3.3
243.99866	2.0
245.00941	19.7
246.01459	2.7
247.02496	55.2
248.02827	4.8
249.04015	14.0
257.00949	14.9
258.01437	4.3
261.00278	3.8
263.01941	1.8
270.98825	12.0
271.99435	2.2
273.00443	30.3
274.00949	3.2
275.01996	64.9
276.02289	5.5
283.99677	4.2
291.01450	15.0
292.01990	1.5
293.03036	5.5
298.98392	23.2
299.99033	6.5
300.99905	100.0
302.00220	12.3
319.00839	4.0
333.02496	2.1
363.03598	1.9
379.03168	2.5
393.04688	8.9
417.04803	3.6
435.05777	4.1
453.06940	3.6
461.03726	2.3
514.70398	1.6
737.06079	6.4
738.07257	2.0
755.07233	12.6
756.07501	3.4
763.03516	3.2
765.57349	1.7
781.05475	4.3
799.06659	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	817.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	1.8
69.15178	11.7
69.15568	2.8
73.54687	1.5
87.24548	1.3
88.46950	1.6
94.57655	1.4
95.01391	5.5
97.03001	1.8
98.21764	3.2
109.02957	2.1
111.00890	2.0
117.03522	3.5
119.01425	2.2
119.05044	3.0
121.02987	2.0
123.00092	2.0
123.00912	6.4
124.01661	1.6
125.02467	12.2
131.05086	2.1
133.02954	6.7
135.04559	3.2
137.02463	5.3
139.74185	1.6
145.02969	12.8
147.04510	8.2
157.02997	3.9
159.00926	2.0
159.04541	7.0
161.02464	7.6
163.00337	8.7
163.03967	9.2
164.01103	1.6
165.05557	2.4
169.01401	4.6
171.00854	2.5
173.02405	14.3
175.04021	12.2
177.01952	6.0
185.02469	7.6
187.00430	2.3
187.03990	3.0
189.01961	14.4
190.02713	5.5
190.99895	1.8
191.03497	19.5
192.00697	1.5
192.03874	2.3
193.01440	3.3
199.00482	1.9
201.01939	16.3
202.02470	1.8
203.03526	19.6
205.01418	2.3
205.05101	3.7
208.00198	1.9
209.00815	1.8
209.49075	1.6
213.01895	2.6
217.01453	14.4
218.01999	3.3
219.01144	2.0
219.02959	10.4
221.04529	4.6
226.99783	3.1
228.00620	2.5
229.01421	23.8
230.79831	1.6
231.02959	14.5
233.00897	1.7
237.00473	2.6
242.99326	4.7
244.00096	2.5
245.00961	25.9
246.01414	3.6
247.02493	41.0
248.02893	3.0
249.04031	17.6
257.00955	15.8
258.01697	5.5
261.00369	4.3
263.02005	2.5
270.98889	13.9
273.00427	43.0
274.00888	6.2
275.01987	77.1
276.02335	6.5
291.01443	16.0
293.03073	5.7
298.98383	26.8
299.99069	7.2
300.99924	100.0
302.00281	10.6
319.01013	3.9
391.06879	2.0
393.04745	5.0
417.04529	3.6
433.04004	1.9
435.05853	7.6
461.03946	3.0
463.05200	2.5
681.04242	2.8
737.07037	2.2
755.07404	6.8
763.03979	6.1
781.04871	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	817.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09056	9.5
69.09480	5.1
81.92838	1.4
91.59291	1.9
92.68348	1.4
95.01402	2.3
98.22612	1.6
117.03452	4.0
121.02921	1.8
123.00895	6.5
125.02480	8.8
129.03477	3.0
131.05034	2.0
133.02968	3.9
135.04549	2.2
137.02422	4.3
145.02954	9.5
147.04553	7.4
149.02461	3.0
157.02989	3.3
159.04547	6.7
161.02419	6.0
162.03165	1.8
163.00423	7.2
163.04015	5.8
164.01088	1.8
165.01936	2.6
171.00838	3.5
173.02403	9.4
175.04027	10.4
175.08925	1.6
177.01941	6.2
185.02472	5.5
187.04008	3.2
189.01953	9.2
190.02631	5.1
191.03503	18.6
192.00713	1.4
193.01404	2.2
199.00336	1.9
200.01120	2.3
201.01990	12.8
203.03522	16.5
204.03842	2.2
205.05087	2.1
209.01004	2.1
213.01900	2.8
216.00562	1.7
217.01376	12.2
218.02031	1.9
219.02997	11.2
221.04510	5.0
226.99962	3.2
229.01459	19.7
230.01968	3.3
231.03003	13.7
235.02422	2.8
242.99339	3.7
245.00931	23.2
246.01385	3.3
247.02477	46.0
248.02924	2.6
249.04041	16.8
257.00940	13.7
258.01563	5.5
261.00378	2.1
263.02036	1.6
270.98880	11.4
271.99561	1.7
273.00427	40.0
274.00912	3.5
275.01999	81.3
276.02292	6.8
283.99768	2.4
288.99908	2.0
291.01483	10.6
293.03082	5.2
298.98352	14.0
299.99008	6.3
300.99911	100.0
302.00330	10.4
316.99680	1.7
319.00656	2.4
333.02618	2.7
393.04630	6.8
417.04916	2.8
435.05472	7.7
436.06296	1.8
453.06357	2.0
461.03549	1.8
463.05252	2.2
468.21426	1.6
654.04968	1.9
672.05408	1.7
737.06500	1.6
745.02228	3.8
746.02313	1.7
755.07178	10.4
756.07281	1.9
763.04352	3.5
781.04901	5.6
799.06531	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	817.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69793	1.4
66.91661	1.8
69.90268	5.5
69.90665	3.3
70.06693	1.4
74.97892	1.5
98.22491	2.0
107.01408	4.9
108.02215	2.2
109.02969	2.2
111.32822	1.7
121.03006	2.9
125.00851	1.5
125.02472	2.0
138.78792	1.5
145.02985	2.8
151.00401	16.6
159.23999	1.7
163.00391	2.7
163.04047	1.6
165.05678	1.6
169.01387	3.6
171.07843	1.8
175.03983	1.5
178.99850	8.5
183.04619	2.3
193.09012	2.9
199.04092	1.8
203.68044	1.6
227.03583	6.1
243.02986	13.1
245.04282	2.4
254.02251	2.3
255.02988	33.4
256.03662	2.6
267.65161	1.7
271.02512	82.9
272.02975	8.3
299.01923	3.9
300.02774	100.0
301.03488	56.2
302.03894	4.2
315.05237	4.3
463.08917	28.8
464.09201	4.6
477.10522	2.1
642.25061	2.0
787.18518	16.8
788.18774	6.9
799.18903	17.6
800.19165	6.3
817.20282	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	817.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
59.22085	0.5
63.21374	0.5
65.00319	1.5
67.09013	0.5
68.52661	0.5
76.61782	0.8
78.14101	0.6
83.01382	1.6
89.83143	0.6
90.66086	0.7
90.83823	0.6
98.22153	4.1
98.57011	0.6
98.60008	0.6
107.01406	2.4
108.02190	0.8
109.02968	2.0
116.20732	0.6
121.02955	2.2
135.00853	1.4
151.00378	10.7
152.00629	0.8
163.00410	3.0
178.99893	7.1
180.00131	0.6
192.00652	0.5
211.03944	1.4
226.02780	0.9
227.03549	1.9
229.05159	1.4
243.02979	5.1
245.04573	1.9
254.02255	1.4
255.00447	1.3
255.03006	18.5
256.03516	1.7
271.02515	33.5
272.02921	3.4
273.03983	1.9
283.02588	1.6
291.96136	0.6
299.02017	0.9
300.02777	66.8
301.03519	54.6
301.07166	1.0
302.03900	4.2
302.56479	0.6
389.52576	0.7
447.09369	100.0
448.09705	14.0
513.62097	0.6
705.60797	0.7
711.97729	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	818.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98534	0.2
67.68994	0.1
69.62376	0.5
79.95728	0.1
80.96532	0.3
98.21858	0.2
98.22443	0.2
98.37220	0.1
211.13472	0.1
225.00836	0.1
275.02042	0.1
301.00082	0.1
656.65894	0.1
678.21497	0.1
816.79639	0.1
819.38519	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	818.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98835	100.0
62.98541	0.1
71.01384	0.1
98.22546	0.2
99.00925	0.1
112.98857	0.2
134.53770	0.1
136.49577	0.1
142.81825	0.1
161.49759	0.1
173.02382	0.1
209.11882	0.1
309.20911	0.1
334.93979	0.1
338.90540	0.1
424.43988	0.1
482.19797	0.1
710.01563	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	818.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
71.25523	2.7
95.95839	1.6
101.98366	1.7
105.96632	1.5
112.12923	1.4
114.12329	1.5
145.60394	1.8
176.33224	1.5
214.12663	1.5
328.82614	1.8
466.77969	2.1
479.96759	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	818.455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98835	100.0
63.47788	0.2
71.01398	0.7
80.96516	0.5
84.88189	0.2
85.02976	0.2
89.02448	0.3
98.50439	0.2
101.02489	0.6
111.08182	0.7
111.80208	0.2
113.02438	0.3
121.63708	0.2
138.37354	0.2
165.12856	0.3
177.12825	0.2
195.14023	0.7
221.15503	0.3
235.08380	0.6
247.20782	0.5
253.09406	0.9
273.18735	0.4
291.19672	11.4
307.19305	0.2
309.20767	7.6
341.17068	0.2
515.03827	0.2
527.28955	0.7
545.29645	1.2
565.39050	0.2
617.85907	0.3
742.50842	0.3
801.48090	0.3
819.49969	0.4
820.70990	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	818.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.0
61.98838	86.7
65.42775	2.4
66.08691	2.8
78.91892	3.7
80.29153	2.5
80.96526	8.0
87.05645	6.2
96.96033	10.0
98.22608	5.6
121.04061	2.9
129.10370	21.8
130.08754	4.4
140.07091	4.2
144.42462	3.1
164.09567	6.6
165.10329	5.3
179.39081	2.8
191.62350	3.1
197.16557	7.5
200.14099	3.3
207.15079	16.9
224.17680	10.9
225.16109	4.3
242.18797	13.0
259.14606	4.6
291.19711	8.1
295.21518	6.6
300.99728	4.0
309.20761	3.9
313.22556	3.8
337.26080	12.8
355.27347	5.8
539.39587	3.4
574.37708	3.1
782.51923	100.0
783.52332	33.8
818.48981	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	819.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.1
71.26749	2.2
75.83131	1.0
83.01399	4.3
88.98800	1.7
93.03493	2.1
95.01406	1.5
97.02956	1.8
109.02961	13.5
111.94883	1.2
121.02976	2.6
123.00923	3.2
123.04532	7.8
124.01662	1.4
125.02461	100.0
126.02799	4.0
126.08932	1.1
133.02966	2.6
135.04546	3.0
137.02460	16.1
139.04051	1.8
145.02954	3.9
149.02426	5.0
151.04024	10.7
159.04536	3.1
161.02475	19.8
161.06116	3.6
162.02991	1.4
163.00409	2.0
163.04085	1.0
164.01167	3.3
165.01950	3.2
166.22305	1.2
167.03453	2.4
169.01447	28.6
170.01691	1.4
175.04022	9.0
177.01936	12.1
179.03500	4.3
185.06198	1.5
187.04024	4.4
188.04797	1.2
193.01569	2.5
195.04723	1.4
199.03938	2.1
201.05550	2.5
203.03525	1.7
203.07150	7.1
205.05083	4.1
211.04007	1.4
215.03532	1.2
217.05067	3.9
221.08220	1.2
225.05566	1.8
227.03511	2.0
227.07138	2.1
229.05099	2.8
230.24998	1.2
241.05052	1.9
243.02954	7.9
245.04514	5.4
245.08174	8.5
253.05141	1.4
255.03004	6.7
256.03714	4.5
257.04474	1.8
269.04614	3.5
271.06287	5.8
273.04007	1.5
281.04672	2.6
283.02542	1.4
285.04031	3.8
287.05664	6.8
289.07205	41.9
290.07541	4.4
297.04175	1.3
299.05728	1.7
303.05142	2.6
319.04825	1.4
339.08801	1.8
363.08865	1.8
381.09988	1.2
389.06815	3.0
398.34247	1.1
407.07755	62.3
408.08179	8.2
425.08810	4.8
433.09256	2.1
441.08286	16.8
442.08621	2.9
451.10284	9.2
452.10498	2.0
475.10272	1.2
559.08142	7.1
577.12604	9.8
578.13013	2.0
603.11530	6.7
729.14630	18.0
730.14935	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	819.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
59.55232	0.2
71.01385	0.8
72.97417	0.3
73.02962	0.6
80.91686	0.5
83.01385	0.6
85.02957	0.3
87.00887	0.6
88.98803	0.5
92.54077	0.3
97.02980	0.4
99.47702	0.3
101.02454	0.6
104.02692	0.8
106.04250	0.3
109.02972	0.3
113.02467	0.9
117.03490	1.1
119.05067	0.6
121.03018	0.3
125.02428	0.7
132.02187	33.9
133.02925	1.9
134.03752	16.5
135.04503	0.7
137.02470	0.8
145.02956	1.3
147.04518	0.5
149.02502	0.8
149.06105	2.4
150.03271	2.0
151.03949	0.3
160.01672	98.9
161.02100	7.0
165.05565	1.2
175.04015	100.0
176.04378	6.3
178.02704	2.5
179.03526	1.1
191.07306	0.3
193.05060	13.3
194.05405	0.8
195.06723	0.4
213.18248	0.3
217.04974	0.4
221.08382	0.4
235.06064	0.5
247.06117	1.0
257.08188	0.4
265.07095	1.0
267.06552	0.8
282.08942	0.8
283.09894	0.3
295.13834	0.3
297.11206	1.7
319.08246	1.7
337.09360	1.6
445.15097	0.4
460.17419	1.2
461.17740	0.4
477.63284	0.3
494.79001	0.3
513.13971	2.1
514.13446	0.4
514.85828	0.3
523.14661	0.4
541.15601	0.9
542.46930	0.4
559.16174	1.0
565.15271	0.4
568.86523	0.3
577.15070	0.3
583.16760	1.9
584.16309	0.4
601.17932	2.7
602.18225	0.7
623.23676	1.2
624.23627	0.4
625.17834	1.6
626.16986	0.4
643.18652	2.1
644.18811	0.4
717.20172	0.5
735.20782	1.2
759.21289	1.6
760.20953	0.5
777.22339	5.0
778.22278	1.3
819.22803	7.4
820.23206	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	819.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.3
60.40143	1.0
61.98849	1.6
64.69145	1.0
66.50827	0.9
69.23022	6.9
71.01378	2.0
73.02968	1.0
76.59259	0.9
80.16695	0.8
81.49608	0.9
88.98830	0.9
89.03960	1.2
98.22530	1.0
101.02444	1.4
109.02977	1.5
111.38662	1.0
112.98543	1.0
117.03504	2.5
119.05061	1.2
121.02982	1.1
123.00925	1.2
124.74495	0.9
125.02504	1.4
132.02193	30.7
133.02386	1.3
133.02969	1.2
134.03769	16.0
135.04536	1.8
137.02574	1.1
145.02991	3.8
146.03365	1.3
147.04498	1.1
148.05312	3.3
149.02449	1.6
149.06056	2.4
150.03194	2.4
151.04115	1.4
160.01680	94.4
161.02090	5.6
163.04086	1.4
164.04756	1.7
175.04028	100.0
176.04427	5.9
177.06740	1.0
178.02776	2.0
178.05124	1.4
180.88646	1.0
192.04332	1.2
193.05081	13.4
209.11786	2.1
212.04781	1.1
224.45267	1.0
240.04370	7.0
241.04826	1.9
255.06627	1.7
265.05008	1.8
267.06537	2.1
269.04578	2.6
281.04623	1.8
281.08047	1.3
283.06116	3.5
284.06885	1.6
295.06079	5.0
296.06906	1.9
298.08429	6.8
299.09241	5.4
310.08286	5.0
311.09189	4.3
312.12436	4.1
313.10803	10.7
314.11060	1.1
319.08240	2.4
325.10812	7.5
329.10306	2.8
339.08575	1.3
343.11575	1.4
394.55045	1.1
476.17218	6.5
477.17575	1.7
488.17245	7.1
489.20505	5.1
493.14893	2.9
504.94348	1.1
513.13904	2.4
541.15790	1.3
583.17255	1.5
601.18066	2.6
602.16858	1.2
625.17749	1.8
643.18146	2.6
735.21191	1.2
759.21075	2.7
777.21899	3.2
819.22772	8.4
820.23853	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	819.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.5
62.05403	0.3
67.01889	0.5
69.45795	0.5
71.01385	0.9
87.63695	0.4
89.02442	1.0
95.01407	0.7
95.05015	0.7
96.96028	0.8
101.02464	1.0
102.05539	0.4
108.04568	0.8
120.04585	3.5
121.05367	2.1
122.06142	7.0
125.02479	0.6
134.06126	3.8
135.06912	1.3
136.07700	12.7
137.08061	0.6
145.06244	0.5
146.04567	0.8
148.07698	0.6
158.02487	1.5
161.07257	1.2
162.05640	0.9
169.01395	0.8
171.11749	2.1
176.03513	0.4
185.08398	0.6
186.09306	0.8
190.05115	5.3
198.09258	1.6
199.10019	2.4
209.11900	0.4
214.07491	0.6
214.12395	11.5
214.14435	0.7
215.12651	1.1
226.07500	0.6
227.08264	3.5
228.08990	1.0
229.09859	5.1
229.13264	0.5
230.09961	0.5
230.11923	4.5
239.11893	0.7
241.09851	8.6
242.10614	16.5
243.11000	1.1
256.12253	0.6
257.12964	88.0
258.13293	8.3
275.98889	0.4
283.11118	1.0
300.11151	0.6
301.11948	100.0
302.12283	9.7
314.12341	0.8
337.12067	1.8
338.12814	0.6
388.35098	0.4
451.53937	0.5
469.33734	0.4
517.18286	19.1
518.18549	4.2
713.63110	0.4
747.28711	0.5
774.70099	0.5
775.32050	0.4
787.28180	1.1
819.30920	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	819.314
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21462	1.6
68.91806	1.7
68.96497	16.6
73.10494	1.4
80.95378	1.7
107.46738	1.6
108.02190	4.4
109.02984	7.5
122.03726	2.3
123.04505	2.8
125.02461	2.6
136.01634	2.9
145.02975	1.7
149.02435	4.5
150.03218	18.1
151.03960	2.9
159.04524	5.6
161.02469	3.8
164.07043	1.5
165.05652	7.2
209.11731	2.7
214.05118	10.1
266.05740	3.0
267.06641	12.1
268.07166	3.6
269.47800	1.4
281.08139	7.4
282.08911	6.2
283.09732	11.2
297.11435	2.6
322.07108	4.3
322.10901	6.6
326.10205	2.2
336.08887	2.1
336.12436	11.1
429.12161	4.1
430.12851	2.8
443.13541	2.7
444.14566	16.3
445.09784	1.6
445.15268	8.8
458.16269	3.3
460.17709	26.6
461.18332	3.7
474.19418	2.0
497.18961	1.6
608.22772	6.0
623.24048	100.0
624.24292	22.6
677.26086	2.1
701.56537	2.1
771.29456	8.1
837.38757	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	819.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
61.98829	11.2
68.99295	4.4
68.99580	53.2
71.01402	6.2
93.03470	6.0
108.02190	50.7
109.02950	20.7
112.98594	53.1
117.03481	13.0
119.05047	11.5
121.02943	27.2
121.71028	5.0
122.03725	11.7
123.04512	14.0
124.01535	4.9
132.02161	9.1
133.02924	12.0
134.03708	26.6
136.01686	50.2
145.02969	40.3
146.03658	11.5
148.05258	8.6
149.02457	67.8
149.06090	20.4
150.03238	88.8
151.04073	29.7
160.01620	18.1
161.06078	12.0
162.05611	6.1
163.04031	10.0
164.04779	9.5
165.05594	39.7
174.05618	6.8
175.04022	23.7
176.04427	6.4
177.06709	11.8
178.05014	5.5
190.40518	4.9
193.04938	6.6
195.06618	10.0
209.11728	9.1
211.13451	9.4
263.07199	6.3
264.07809	11.5
282.07742	8.1
294.07974	8.6
298.10681	7.9
311.13968	10.6
312.12366	7.3
402.13367	29.4
413.12753	15.3
415.14532	7.9
416.14972	40.1
417.15613	6.8
428.15121	12.5
430.16461	17.3
432.18427	53.4
443.13791	9.6
444.14554	6.7
450.76285	5.3
458.16107	40.7
459.16483	10.4
460.17941	9.3
470.14969	5.2
471.15494	14.1
503.17969	8.0
576.20032	7.7
580.23254	22.6
591.21027	17.7
621.22137	18.9
622.22852	22.0
623.23993	76.6
624.24121	23.4
658.50537	6.2
677.24792	18.7
739.26257	15.3
740.26617	9.5
771.29108	100.0
772.29626	27.2
783.29248	9.0
784.30524	7.9
801.30023	13.6
802.31238	6.6
819.31189	11.4
820.30609	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	821.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.1
59.01369	1.5
60.12241	0.5
67.01893	0.8
69.03468	0.6
69.36144	4.6
71.01386	1.4
72.99329	0.7
83.01401	0.8
84.02177	0.6
85.02958	29.6
95.01405	0.9
101.02481	1.0
107.01396	4.0
109.02945	0.7
111.00893	1.8
113.02429	0.8
117.03468	1.4
119.05087	0.7
123.00893	3.4
124.01671	2.5
125.02457	66.4
126.02784	2.1
136.98804	1.2
137.02521	0.8
139.00392	3.0
140.01155	2.2
145.02954	4.3
147.03046	4.0
147.42354	0.6
149.02464	0.7
151.00388	2.7
155.66452	0.6
163.04002	0.7
165.02000	0.8
167.03569	1.5
168.00658	9.8
169.01439	69.0
170.01778	2.3
175.14059	0.6
191.01976	16.6
191.03616	1.3
193.01410	8.1
211.02495	31.9
212.02876	1.8
241.03523	2.1
247.02550	0.8
271.04611	24.8
272.04974	1.9
275.01898	1.0
287.07886	3.6
300.99933	3.1
302.00336	1.0
313.05698	10.6
331.06735	10.3
332.07150	1.2
337.05737	1.1
439.08838	23.9
440.09152	2.9
465.06763	1.5
483.07837	100.0
484.08148	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	821.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52973	0.2
59.01383	0.5
61.98837	1.4
63.45070	0.2
68.99552	0.3
71.01380	0.3
79.24576	0.2
89.03983	0.4
93.03459	0.5
101.02448	0.3
101.91245	0.2
108.02186	0.4
112.98598	0.2
117.03480	43.6
118.03811	1.8
119.05041	10.2
120.05347	0.3
121.02979	0.3
133.02744	0.3
133.06575	0.3
145.02969	100.0
146.03302	5.2
149.02443	0.4
150.03178	0.7
151.03885	0.2
157.06627	0.2
161.06038	0.3
163.04033	6.7
164.04372	0.4
165.05540	0.5
173.06140	0.5
175.04001	0.3
187.04065	0.4
195.06677	0.3
217.05061	0.8
235.06154	0.5
289.07178	0.5
307.08289	0.5
307.34875	0.2
308.58829	0.2
367.09875	0.2
378.17484	0.2
433.18854	0.3
453.11969	1.8
454.12131	0.4
469.13596	0.3
529.15564	0.9
615.17157	0.9
623.23853	0.3
624.24249	0.4
625.24713	0.5
633.18420	1.4
634.18549	0.2
657.18298	0.9
658.18353	0.2
675.19421	5.5
676.20044	1.3
704.02271	0.2
761.20935	1.4
762.21338	0.3
773.30536	0.4
779.22150	0.3
821.22913	10.1
822.23541	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	821.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00622	1.0
59.01388	22.6
69.47523	3.2
69.47909	2.5
71.01383	12.1
80.05065	2.3
83.01398	1.4
85.02964	2.3
89.02461	9.8
93.46943	1.0
98.21722	1.0
101.02447	7.3
103.33881	1.2
104.05100	1.5
106.06635	5.7
108.04559	2.1
113.02453	3.2
119.03571	2.7
122.06119	4.9
125.02487	2.5
132.04561	1.8
134.06136	18.3
136.07643	2.8
141.08290	1.1
146.06152	2.1
150.05646	1.6
150.16414	1.2
151.00412	1.5
152.07193	4.4
153.43845	1.1
160.03987	1.8
169.01454	1.8
176.74571	1.2
178.99937	1.9
180.04210	1.2
180.06648	2.2
188.07222	5.7
190.05188	1.2
211.08745	1.7
223.08713	1.4
223.12341	1.4
224.09615	1.5
225.10320	4.1
227.11813	1.6
235.08888	1.4
236.09732	1.2
237.10275	1.7
239.08095	1.6
239.12015	1.6
249.10497	2.2
251.08253	4.3
251.11885	2.1
252.09163	2.2
253.09863	7.7
263.08173	2.9
264.08936	3.1
265.09885	3.5
267.11362	5.6
277.09845	4.2
279.07736	5.0
279.11166	5.7
289.37256	1.2
291.07907	1.3
292.08463	3.0
293.09393	6.5
294.09955	3.6
295.10925	10.7
296.11392	2.0
299.98965	2.0
300.99942	2.1
305.09338	2.7
307.10974	9.2
308.11417	1.6
309.12332	1.4
315.01782	1.6
315.32236	1.1
321.08707	6.3
333.08807	4.0
339.09836	6.1
351.09869	3.8
400.16843	1.6
414.18436	2.2
440.16104	3.3
458.17636	2.2
468.15906	2.8
485.03937	1.8
486.16345	3.2
487.17050	1.2
620.21948	2.8
622.23633	1.4
638.23431	5.4
648.21826	3.4
659.32581	1.8
666.23108	100.0
667.23413	24.2
698.25751	63.0
699.25952	17.0
771.28320	4.7
789.29321	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	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	18.0
60.36700	3.1
61.98833	11.4
69.16470	2.7
70.81050	3.7
70.81372	4.7
71.01378	15.4
71.05008	3.4
73.02964	5.3
80.96519	4.0
83.01407	3.7
83.05045	9.1
85.00474	5.2
85.02964	7.0
89.02470	4.8
95.05023	4.1
99.04539	7.2
101.02453	9.9
108.00485	2.7
109.06559	4.1
112.05334	2.9
113.02494	4.4
119.03486	3.7
125.09775	14.9
127.07666	4.2
135.08209	9.0
137.09767	3.5
153.09230	28.3
161.04605	3.7
163.11311	6.0
171.10301	42.1
178.10106	4.3
185.11844	9.8
191.10843	4.8
191.14497	3.2
197.11853	10.5
209.11861	89.0
210.12210	6.2
238.12299	3.5
245.19141	6.8
253.09354	13.4
263.20209	7.8
277.18759	6.0
277.21756	100.0
278.22086	10.0
281.05194	2.8
289.18069	22.0
290.61273	3.3
291.19595	3.3
307.19202	87.4
308.19531	9.3
325.20334	26.0
336.62827	2.9
525.27008	8.1
543.28241	20.8
544.28064	4.0
561.28455	5.1
645.42462	3.1
776.34924	3.2
803.49188	8.0
804.49658	3.5
821.43042	4.1
828.22961	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	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.1
59.01379	4.7
61.98832	2.8
70.81197	3.0
71.01396	4.5
73.02941	3.0
82.63123	1.3
83.05060	1.1
85.02952	2.1
87.00887	2.3
89.02469	2.2
96.25320	1.0
98.22162	1.2
101.02467	4.6
113.02463	2.6
125.09752	3.5
127.07702	1.4
135.08208	2.0
145.05074	1.4
148.97458	1.2
153.09232	11.1
161.04584	1.7
165.12843	1.3
171.10284	9.9
185.11891	1.9
191.10883	1.8
197.11880	1.9
209.11839	18.2
210.12209	1.1
235.08296	7.3
238.12042	1.3
253.09306	9.9
254.09845	1.5
263.20154	1.9
277.21765	100.0
278.22198	10.0
289.18167	7.3
295.70035	1.4
297.20294	1.0
307.19171	31.6
308.19595	4.0
309.20813	1.3
325.20206	12.6
525.26990	3.4
543.27985	2.2
561.28802	1.5
803.49945	5.9
821.50616	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	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.9
58.71869	0.6
59.01388	6.2
61.98843	1.5
65.81030	0.5
68.87655	0.5
70.89371	1.3
71.01395	5.7
73.02962	1.3
75.26497	0.9
78.95921	1.6
79.95745	1.0
85.02967	1.3
86.80910	0.6
87.00878	1.3
89.02464	2.7
95.01423	0.6
96.96022	20.1
96.96992	1.8
97.06594	1.1
101.02457	6.4
111.08160	0.6
113.02479	2.4
113.09750	1.9
115.07667	0.9
119.03538	1.3
125.06067	0.7
126.06925	0.8
139.11333	0.7
141.09251	0.7
161.04588	3.0
164.11502	0.6
165.12883	2.8
167.10774	1.0
167.14464	1.9
171.10352	1.1
179.05640	0.6
179.14444	0.8
181.12343	2.7
193.12352	1.9
195.13925	11.6
196.14412	1.1
211.13422	2.3
221.15582	3.2
223.13353	5.4
224.13795	1.0
228.13669	1.3
231.21259	0.7
235.08244	4.2
240.13605	0.7
241.14432	0.8
247.20619	3.4
253.09323	18.1
254.09639	0.9
256.13193	1.0
265.21725	1.3
273.18842	2.7
275.20114	6.6
277.21756	1.4
281.21161	0.6
291.19699	37.0
292.20065	4.2
293.21268	100.0
294.21582	11.2
309.20746	94.4
310.21082	11.5
311.22354	1.0
320.41998	0.5
440.22159	0.5
527.28699	3.1
529.30481	0.8
545.29791	14.1
546.29932	2.4
695.35114	0.7
752.43188	1.5
821.51508	4.5
822.50824	2.5
846.39935	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	821.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.3
61.98840	11.5
69.47195	6.6
70.54498	0.9
71.01384	4.6
80.96526	1.2
85.02959	1.5
89.02463	3.9
89.27969	0.9
96.96018	1.9
98.21854	1.8
101.02443	5.3
108.00264	1.0
109.06661	1.2
111.08233	1.2
113.02473	3.6
119.03521	2.2
125.09747	2.1
161.04590	3.0
163.11304	3.8
165.12854	7.1
169.12347	1.2
171.10280	1.7
177.12943	1.5
179.05623	1.1
179.14435	3.0
181.12335	3.2
183.13885	1.2
185.11801	1.0
189.85918	1.3
193.16037	2.5
195.13922	6.8
197.11838	4.8
209.11865	1.8
211.13461	1.4
223.13441	6.8
231.20909	1.1
235.08133	2.3
247.20679	8.1
253.09297	21.9
254.09653	1.8
273.18610	4.0
275.20203	6.4
291.19684	87.6
292.20081	10.7
293.21246	78.8
294.21509	9.8
304.31360	1.0
309.20743	100.0
310.21075	11.8
458.77127	1.1
527.28882	1.5
544.87109	1.1
585.41321	1.5
631.31738	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	822.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01382	2.1
62.78622	0.4
67.01884	0.5
69.03466	1.1
71.01398	0.5
71.27094	0.5
81.03482	2.0
83.01394	1.8
93.03492	0.6
95.01408	0.7
95.05050	1.1
97.02976	2.8
107.01415	1.5
108.02226	0.5
109.02972	8.4
111.00933	0.9
117.91383	0.4
121.02986	1.0
123.00896	1.1
123.04555	3.9
124.01709	0.7
125.02464	63.2
126.02817	2.6
135.04587	0.6
137.02466	6.8
139.00410	1.1
139.04016	1.2
140.01215	0.8
145.02975	1.9
149.02455	2.2
151.04024	4.9
159.04532	1.5
161.02405	0.6
161.06078	1.8
164.01201	0.7
165.01939	1.7
165.45634	0.4
166.99901	1.1
167.03535	0.8
168.00670	1.3
168.76001	0.4
169.01445	100.0
170.01776	4.3
173.06078	0.5
175.03986	0.8
175.07654	0.7
177.05533	0.4
178.99921	0.4
179.03525	2.0
183.04573	0.6
185.06039	0.8
185.64955	0.4
186.72629	0.4
187.04063	1.6
188.04803	1.0
191.03624	0.5
191.31261	0.4
193.01469	4.4
199.07591	0.6
201.05579	0.6
203.07143	4.8
205.01421	0.7
205.05061	3.4
214.23711	0.4
221.08186	1.2
227.07280	0.8
230.06798	0.6
245.08226	7.7
253.05113	1.0
258.01093	0.4
259.06244	0.7
271.06110	6.4
272.06619	0.7
288.50958	0.4
289.07217	38.4
290.07574	3.5
303.05081	2.0
318.07788	0.5
331.04605	2.0
332.04718	0.5
437.96417	0.4
441.08313	43.1
442.08633	7.1
580.62524	0.4
592.32306	0.4
630.91711	0.4
655.32977	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	823.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
63.02379	0.8
69.03785	4.2
69.04202	1.3
71.01397	5.5
72.99316	0.8
73.02979	0.6
75.00876	1.7
83.01397	0.9
85.02956	7.1
87.00895	0.9
87.43877	0.6
89.02451	0.8
91.01870	0.6
93.03496	1.1
95.01374	2.1
99.00885	3.0
103.00382	1.2
107.01398	0.9
109.02972	1.3
113.02465	10.0
115.00435	0.8
117.01938	0.6
125.02454	5.8
129.01996	0.9
135.00952	0.6
143.05075	0.7
145.02887	0.5
151.00392	1.1
155.10768	3.0
157.06587	0.9
158.11301	0.6
159.04494	1.2
161.02505	0.8
163.00394	1.6
167.05020	0.6
169.01425	1.9
175.02475	5.2
175.03871	0.9
185.06102	2.2
187.03958	3.2
188.04285	0.6
189.05568	1.3
195.04504	0.7
199.03951	0.7
199.09744	3.2
201.05530	1.1
211.03983	1.4
213.05611	2.4
227.03496	2.6
229.05067	9.1
239.03409	1.6
240.03990	0.8
241.05138	1.8
243.02870	1.2
255.02939	1.3
256.03754	0.6
257.04596	6.2
258.05017	0.6
267.03061	0.9
268.03815	0.7
285.04071	100.0
286.04446	9.1
361.14944	1.2
461.07303	33.6
462.07614	4.8
618.28235	0.8
627.00720	0.7
643.15131	0.7
677.73364	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	823.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	39.7
64.65849	16.9
69.19104	30.4
69.19506	91.9
78.95915	22.2
93.28416	14.1
99.92577	16.2
116.92878	100.0
141.77261	13.4
201.11311	13.4
209.11797	74.9
212.49681	13.8
227.12834	25.8
291.19745	21.3
292.12799	13.0
309.20773	87.6
313.71506	13.2
545.29559	24.0
667.34552	16.0
755.42102	17.5
823.41119	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51511	3.8
74.60945	1.2
81.03477	1.6
83.05048	2.5
85.02940	1.2
93.03471	19.6
95.01360	1.2
97.02991	1.3
107.01417	5.5
111.00875	1.9
111.04533	6.8
123.00922	1.8
123.71405	1.2
125.01525	2.6
125.02463	53.8
135.04482	1.2
137.02454	7.9
139.00371	1.7
147.53516	1.5
155.03513	5.4
159.04483	1.4
163.00371	2.6
168.00661	12.7
169.01440	100.0
170.01759	5.7
171.01959	1.5
173.04552	2.3
189.01892	1.4
201.01967	1.5
203.03491	2.4
205.05182	1.7
229.01501	3.0
237.00546	1.2
247.02449	3.0
249.04245	1.6
257.01093	3.4
273.00369	1.5
275.01938	11.9
293.03067	2.7
300.99890	18.7
302.00085	1.9
325.05673	66.0
326.05957	8.2
481.06140	14.4
482.06229	2.2
499.07211	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	825.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
61.98818	2.2
65.00326	0.9
66.49700	0.7
67.01880	3.0
69.03442	1.3
70.01884	2.9
70.19395	0.7
71.01362	2.6
72.99287	1.5
79.01894	2.2
83.01369	1.3
85.02956	1.0
88.04014	0.8
88.98789	1.1
89.02466	0.7
95.01402	7.1
97.02971	1.2
101.02419	0.8
107.01392	7.0
109.02966	1.1
110.00082	0.8
111.00884	6.5
117.03484	1.0
118.03862	0.7
122.03661	0.7
123.00006	1.5
123.00898	25.7
124.01685	3.8
125.02462	43.7
126.02806	2.1
127.00385	2.3
136.98814	4.2
137.02472	2.0
139.00394	11.4
139.04018	2.1
140.01193	8.8
141.01962	1.7
141.63481	0.7
145.02969	2.9
149.02420	1.3
150.03270	4.2
151.00389	5.4
151.03954	1.6
154.99855	1.0
161.02444	1.3
165.01947	2.0
165.05582	2.5
166.99869	9.5
167.03494	2.7
168.00658	22.8
169.01442	48.9
170.01814	2.1
177.01927	1.3
181.01454	1.2
181.05031	1.3
183.02986	2.9
192.04276	1.0
195.03073	1.4
195.06635	1.7
198.36981	0.7
211.02496	88.6
212.02823	4.7
219.03001	0.9
221.39987	0.8
241.03569	1.1
271.04620	100.0
272.04953	5.4
293.08292	1.3
294.09119	1.1
311.09229	4.5
312.09857	1.1
325.11151	0.9
326.11725	3.5
327.12402	6.1
328.12762	1.1
331.06732	15.1
332.07187	1.3
341.13934	1.4
463.10406	2.6
478.12732	19.8
479.13199	4.2
493.15100	46.3
494.15530	6.9
629.22644	2.5
673.21393	38.7
674.21790	8.8
825.22504	47.9
826.22931	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40571	0.6
71.27953	0.6
73.02943	2.9
77.60802	0.5
81.07114	0.8
83.05028	0.9
85.06590	1.1
93.03456	0.5
97.06618	0.9
99.08168	19.8
100.08516	0.9
101.06123	1.3
113.06087	6.7
115.07662	78.9
116.07997	3.1
119.05038	63.3
120.01268	4.3
120.05363	4.1
125.02445	1.9
125.06101	1.0
131.44055	0.5
143.07149	15.9
144.07504	0.7
159.06648	9.2
163.04027	100.0
164.04330	4.7
169.05119	0.6
175.04004	0.5
187.06154	1.7
209.11882	1.2
261.38104	0.5
264.76788	0.5
301.03677	0.8
345.24530	0.6
351.10880	11.3
352.11292	0.9
428.64032	0.5
438.81619	0.5
616.12439	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	827.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.2
61.98830	5.4
70.34632	2.5
71.01392	7.0
71.28920	1.2
83.05045	4.0
85.02963	2.3
88.98813	1.5
89.02454	3.9
98.21912	1.6
101.02477	3.7
105.55551	1.4
113.02474	1.7
113.09803	1.2
119.03524	1.4
127.07870	1.3
163.11317	4.1
164.16783	1.4
165.12863	4.7
169.01390	1.5
171.10316	6.0
181.12402	3.3
193.12315	1.8
199.13484	1.4
201.11363	2.8
209.11844	100.0
210.12221	7.3
225.11278	2.9
227.12909	19.5
235.08231	4.6
247.20767	2.1
253.09238	13.4
291.19678	22.0
292.20059	2.7
293.63403	1.4
307.19330	1.6
309.20737	68.1
310.21005	8.4
365.91467	1.4
527.28693	2.0
545.29865	8.1
674.43414	1.5
737.40253	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	829.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	1.4
69.05589	2.6
69.05992	9.7
81.03471	1.3
89.03983	1.4
93.03452	1.0
95.01394	2.3
109.03030	1.2
111.00909	1.7
114.53849	1.0
116.64420	0.9
117.03484	6.4
119.05034	4.0
121.02989	1.8
123.00903	3.5
123.04527	1.1
125.02469	13.3
129.03514	1.8
131.01480	1.8
132.02280	1.4
133.02979	5.5
135.04526	3.5
137.02425	2.2
143.01395	1.8
145.02968	18.1
146.03305	1.3
147.00862	2.1
147.04504	7.0
149.02556	2.1
151.00346	1.9
151.04041	1.9
157.02972	2.5
159.00845	1.9
159.04575	2.0
160.01663	2.4
161.02472	20.2
162.03250	1.8
163.00388	2.9
163.04002	8.0
164.01082	1.1
165.01932	1.4
165.05608	1.8
169.01434	9.1
171.00908	4.6
173.02454	16.2
174.03136	3.0
175.00345	1.9
175.04030	5.7
177.01961	4.8
178.99905	2.8
179.03494	1.4
183.35368	1.1
185.02451	3.0
187.00398	5.3
189.01959	22.8
190.02661	7.9
191.03520	14.8
191.05159	1.7
193.01443	1.7
199.00421	3.9
200.01103	1.8
201.01970	13.1
202.99899	1.1
203.03474	7.8
205.01436	2.7
207.03006	2.0
214.99834	6.4
216.00578	3.7
217.01434	32.0
218.01971	4.0
219.02966	9.5
221.04469	2.5
222.01666	1.4
227.00000	5.7
228.00647	2.9
229.01437	13.1
230.02010	1.7
230.99442	1.6
231.02998	3.7
235.02458	1.2
242.99329	7.6
244.00098	4.7
245.00923	59.6
246.01324	6.4
247.02486	35.6
248.02867	3.6
249.04117	4.3
254.99416	1.8
257.01010	3.6
259.99698	1.6
261.00378	8.4
261.04242	1.3
263.01776	1.8
269.04611	1.8
270.98865	25.5
271.99319	3.3
273.00427	100.0
274.00827	12.0
275.01978	17.8
276.02307	1.7
277.03555	1.5
283.99530	1.3
286.98196	2.2
288.99905	6.8
291.01508	24.9
291.40915	1.1
292.01877	2.2
298.98352	37.1
299.98923	6.8
300.99948	23.5
302.00317	1.8
303.01511	2.2
303.04910	1.2
305.02997	3.1
316.99362	9.4
317.99783	1.6
349.02029	4.8
363.03412	2.1
407.06464	1.8
417.04572	7.8
431.02921	1.3
433.04370	2.3
435.05756	19.4
436.06216	2.0
461.03424	1.6
607.44562	1.2
646.43268	1.1
725.06409	1.4
733.02808	1.6
735.04254	2.5
793.04865	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	829.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38677	2.2
65.00334	4.4
66.59080	2.2
69.15103	7.9
69.15530	11.7
85.18154	2.2
93.03490	2.6
95.01378	5.8
103.01962	2.7
105.03479	4.1
115.01899	2.2
117.03476	13.7
119.05035	7.4
121.02977	3.7
123.00930	3.8
123.04530	3.3
125.02459	7.3
131.01379	8.9
133.02954	16.6
135.04588	3.2
143.01376	7.3
145.02962	37.1
147.00896	9.2
147.04517	12.5
150.32248	2.3
157.02956	7.3
158.03659	3.0
159.00899	8.4
159.04529	5.3
160.01625	3.2
161.02466	41.7
162.03029	2.5
163.00395	6.9
163.03984	23.8
165.01878	3.8
169.01385	6.7
171.00888	15.0
172.01729	4.8
173.02443	29.3
174.03098	3.1
175.00374	4.5
175.04021	13.1
176.01122	3.5
177.01955	16.0
179.03519	6.5
185.02451	8.6
187.00392	26.4
187.04019	4.6
188.01105	5.2
189.01942	38.0
190.02583	10.4
190.99861	8.5
191.03485	35.7
192.01004	2.6
192.03677	2.4
199.00391	14.9
200.01103	6.4
201.01939	27.9
202.99905	2.6
203.03548	18.2
205.01514	5.5
213.01979	3.2
213.99135	3.3
214.02707	3.8
214.99887	36.7
215.03270	3.1
216.00514	10.0
217.01418	44.1
218.01761	3.3
219.03026	13.0
226.99934	13.3
228.00555	3.1
229.01434	32.2
230.02209	11.2
230.99442	3.6
231.02960	21.7
233.00908	6.9
235.02444	10.6
242.99365	34.6
243.99982	3.3
245.00923	52.9
246.01395	6.3
247.02515	49.1
248.02988	4.8
249.04060	7.6
254.99352	4.3
257.01035	12.8
258.01620	3.8
258.98779	6.0
259.02527	6.8
259.99585	7.0
261.00388	31.6
263.02023	8.7
270.98868	51.5
271.99353	6.8
273.00458	47.8
274.00745	5.4
275.02005	40.3
283.99747	3.7
285.97598	2.7
286.98422	24.5
288.99905	16.9
290.00522	2.4
291.01566	17.4
298.98383	68.3
299.98941	18.9
300.96518	5.2
300.99933	100.0
302.00229	9.5
307.00867	2.5
316.99249	5.6
333.02631	2.9
351.01160	2.4
403.02997	2.9
431.02609	4.6
443.02347	3.8
445.04251	3.9
461.03986	3.4
707.05121	4.3
733.03070	9.6
751.03961	7.8
765.05872	11.8
783.06659	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	829.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	5.1
70.04016	5.6
70.04404	6.1
70.80498	2.4
71.22046	2.3
71.71507	2.0
89.03984	2.8
95.01379	4.8
98.22149	5.7
105.03476	5.7
107.69585	2.7
108.79707	2.7
109.95915	2.9
115.01893	3.2
117.03462	12.9
119.05026	10.4
119.86171	2.4
121.02950	4.3
123.00876	4.8
125.01604	2.6
125.02467	10.9
129.03549	3.6
131.01387	7.3
133.03011	17.8
137.02451	6.0
143.01399	7.2
145.02963	33.6
147.00906	8.1
147.04524	11.0
149.02486	3.0
157.02905	6.3
159.00887	11.0
159.04533	5.3
160.01666	4.0
161.02460	43.5
163.00369	7.4
163.04045	21.5
169.01546	4.8
171.00938	13.0
173.02432	30.3
174.03140	3.3
175.00424	3.7
175.03979	17.8
176.01164	3.3
177.01938	19.3
178.02322	3.1
179.03467	6.0
184.85352	2.3
185.02502	5.9
187.00404	31.9
188.01205	3.2
189.01945	36.2
190.02693	9.8
190.99875	6.7
191.03531	34.6
199.00356	9.1
200.01108	3.5
201.01921	21.7
202.02518	2.4
202.99783	5.3
203.03549	16.1
205.01492	5.5
213.02089	4.3
213.99149	4.7
214.02710	4.1
214.99921	36.9
216.00560	8.4
217.01443	46.4
218.01920	6.3
219.02939	12.6
226.99930	13.7
228.00620	4.5
229.01445	34.7
230.02133	9.8
230.99417	4.3
231.03012	29.4
233.00850	7.2
235.02481	12.2
242.99341	31.1
243.02998	4.0
244.00056	4.5
245.00984	51.3
246.01387	6.0
247.02525	56.3
248.02820	4.3
249.04131	5.2
254.99330	5.1
257.00949	14.2
258.98846	5.1
259.02451	3.6
259.99493	4.5
261.00412	31.3
263.01929	7.0
270.98904	59.3
271.99432	8.2
273.00436	63.6
274.00790	7.1
275.02008	39.7
276.02258	3.7
279.01608	3.1
283.99622	4.1
285.97543	3.4
286.98373	23.2
288.99921	16.6
291.01447	17.6
298.98383	66.4
299.98944	16.8
300.99899	100.0
302.00333	11.8
316.99380	10.4
335.00394	3.2
403.02979	3.2
427.02991	4.6
443.02725	5.3
445.04483	4.1
461.03409	3.9
707.04901	4.7
725.06262	4.8
733.02966	9.6
739.06543	3.4
751.04083	9.5
765.05579	9.9
775.03638	2.8
779.02838	3.5
783.06879	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	829.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
67.01908	0.3
69.03468	1.5
71.01381	0.5
71.26743	0.3
73.95595	0.2
75.00864	0.3
81.03465	0.6
83.01385	0.7
85.02964	0.6
95.01409	0.5
96.96020	0.7
97.02939	1.5
105.03483	0.5
107.01395	0.7
109.02970	1.0
113.02506	0.4
121.02971	1.4
123.00900	0.9
123.04541	0.4
124.01705	0.5
125.02463	58.5
126.02799	2.3
137.02463	1.8
139.04016	0.7
146.31375	0.2
149.02457	0.3
151.04028	0.5
161.02437	3.8
162.02893	0.2
165.01955	1.2
166.99878	0.5
167.03511	1.4
169.01442	100.0
170.01770	4.3
177.01929	0.4
177.05551	0.5
178.57901	0.3
179.03534	0.8
193.01440	1.5
201.05626	0.2
203.03441	0.3
211.38554	0.3
219.06641	0.6
249.06190	0.4
259.27411	0.3
269.04538	0.8
287.05692	1.8
288.06146	0.4
293.43686	0.3
305.06720	4.7
306.07025	0.6
319.04666	0.5
331.04663	1.8
332.05045	0.4
337.15091	0.5
371.09790	1.0
457.07761	9.1
458.08057	1.3
551.02606	0.2
676.54797	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	831.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	2.4
67.01888	2.8
69.03461	1.4
69.28366	9.4
71.01381	3.0
75.73009	1.3
79.96723	1.6
85.02959	2.2
89.03998	1.6
90.36047	1.7
93.03465	4.3
95.01405	6.9
97.02925	2.2
98.94499	1.5
103.05539	2.0
105.03487	2.4
107.01414	3.0
107.04999	2.6
109.02964	5.1
111.00904	7.5
113.02383	1.4
117.03462	12.2
119.01408	2.9
119.05045	9.1
121.02972	5.7
123.00904	7.4
123.04523	2.1
125.02475	14.7
129.03407	4.1
130.04366	1.4
131.01361	1.5
131.05038	2.4
133.02962	8.1
135.04556	6.3
136.03976	2.0
137.02429	9.3
139.00386	3.7
143.01396	3.1
145.02972	30.2
146.03317	2.1
147.00894	5.6
147.04564	15.6
149.02461	6.7
151.00377	3.8
153.01859	2.3
154.99863	1.6
157.02942	3.0
159.00977	2.4
159.04536	6.9
160.01711	2.7
161.02470	26.8
162.03105	2.8
163.00386	10.7
163.04021	20.5
165.01950	5.4
165.05624	3.9
166.99867	1.9
169.01436	12.4
171.00861	5.1
172.01552	2.1
173.02441	19.5
174.03268	4.5
175.00323	3.1
175.04019	13.1
176.01221	4.1
177.01965	14.2
178.99876	2.7
179.03499	4.2
185.02496	3.5
187.00368	9.4
187.04088	2.7
189.01949	30.0
190.02715	11.6
190.99852	4.3
191.03526	56.4
192.00630	2.6
193.01437	7.9
193.05013	2.1
199.00383	3.8
200.01057	3.2
201.01961	17.9
202.02696	1.8
203.03546	14.1
205.01480	7.4
205.05066	2.6
207.03075	2.4
208.00029	1.8
209.00928	5.1
209.04558	1.8
213.01849	1.9
214.99875	8.4
216.00496	3.5
217.01436	39.4
218.02090	6.4
218.99394	2.3
219.03015	26.6
220.03482	2.0
221.00903	6.5
221.04593	5.3
222.01497	3.5
226.99892	3.5
229.01421	22.2
230.01982	3.8
231.02975	7.2
232.00002	1.6
233.00903	4.3
235.02496	16.3
237.00473	2.2
242.99297	13.2
243.03004	2.3
244.00116	2.8
245.00928	46.7
246.01405	4.7
247.02490	100.0
248.02882	5.7
249.03932	4.7
254.99483	3.3
257.00964	7.0
257.04309	1.6
258.01733	3.0
258.98782	1.7
259.02463	2.2
259.99619	3.4
261.00455	14.8
261.04120	2.9
263.02084	10.9
269.00775	1.9
270.98831	33.8
271.99429	5.2
273.00436	81.5
274.00858	8.6
275.01984	28.0
276.02344	3.7
277.03714	3.6
286.98349	5.3
287.02066	1.7
288.99884	8.0
289.03589	5.0
291.01523	30.5
292.01807	3.2
298.98340	56.3
299.99045	11.9
300.99924	76.1
302.00339	8.5
305.02945	3.7
307.04611	5.2
312.99982	1.8
315.01492	2.4
316.99445	5.2
319.01025	2.1
333.02481	11.6
351.03610	2.9
363.03534	2.8
369.01129	2.7
391.02756	1.8
405.04681	2.1
431.02512	2.8
433.04312	2.3
435.05603	4.3
467.03607	7.5
697.07220	3.2
723.04718	3.9
731.02686	2.1
769.08521	2.8
795.05566	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	831.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07922	2.4
66.99127	2.6
67.48347	2.2
95.01372	4.0
101.04005	2.6
111.00869	3.2
117.03471	8.6
118.65569	2.3
119.05026	4.8
121.02904	2.7
123.00862	3.7
125.02459	10.5
129.03482	5.6
133.02962	7.1
135.04495	2.8
137.02498	4.7
145.02963	20.9
147.04553	10.4
157.03008	11.6
159.00844	3.3
159.04510	6.6
161.02454	12.9
163.00372	8.5
163.04021	13.5
165.01971	4.1
171.00903	10.0
173.02466	23.0
174.03123	3.5
174.59538	2.9
175.04039	9.2
177.01981	6.8
185.02454	9.0
189.01907	15.4
190.02763	4.7
190.99933	3.6
191.03506	22.0
199.00417	13.2
200.01051	5.0
201.01912	23.9
202.02396	3.2
203.03542	19.9
213.02016	5.5
214.02672	3.0
214.99930	6.8
216.00684	4.0
217.01375	23.5
219.03001	9.6
226.99886	31.4
228.00613	3.6
229.01442	32.5
230.02092	6.6
231.02995	28.3
233.00853	3.3
242.99345	9.5
244.00018	2.4
245.00963	29.2
246.01332	4.4
247.02478	35.1
248.02824	3.6
249.04115	21.7
254.99361	7.5
257.00879	15.7
258.01645	5.2
261.00403	7.7
263.01926	5.9
270.98877	23.5
271.99374	3.3
273.00436	63.3
274.00891	6.6
275.02008	62.7
276.02295	4.2
283.99799	3.6
289.00015	3.9
291.01407	6.9
293.03079	3.8
298.98322	60.6
299.99072	20.0
300.99905	100.0
302.00317	9.5
302.34436	2.3
303.47479	3.1
316.99728	3.9
319.00983	3.9
335.00726	2.9
399.03372	6.0
433.03900	3.7
443.02689	6.8
461.03848	7.6
557.51617	3.1
735.03302	3.1
745.02917	12.0
746.03491	3.9
753.05414	7.0
763.04004	8.7
764.04901	3.2
777.05450	6.7
778.06982	3.0
781.04559	5.4
785.08362	2.9
795.07025	5.5
813.07709	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	831.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19496	1.8
65.00331	2.6
67.01894	2.0
67.67873	2.1
70.15103	2.3
70.38569	7.9
72.67576	2.4
89.03987	2.7
95.01401	3.2
111.00903	2.9
117.03458	7.8
119.05036	6.3
123.00886	4.8
125.02456	8.3
129.03438	5.5
131.05052	3.4
132.02130	2.7
133.02962	9.1
135.04559	3.6
137.02446	3.3
143.01393	3.2
145.02969	23.6
147.04526	12.6
149.02426	3.9
151.00357	3.6
151.03996	2.6
151.63425	2.2
157.02989	11.8
158.03761	3.1
159.00952	2.6
159.04500	8.9
160.01714	2.6
161.02417	14.7
163.00366	9.8
163.04057	15.3
165.01927	3.7
171.00905	12.5
172.01579	3.1
173.02441	23.7
175.00352	3.2
175.04008	15.5
177.01952	10.5
183.77605	2.9
185.02371	7.4
187.00420	5.2
189.01962	21.4
190.02617	6.1
190.99840	3.1
191.03502	18.8
193.01430	4.5
199.00345	16.4
200.01123	6.8
201.01949	35.2
202.02461	2.8
203.03513	28.8
204.03859	3.7
205.01425	3.2
209.00890	4.1
213.01849	3.1
214.99838	6.7
216.00542	5.1
217.01419	25.0
218.02058	3.7
219.03041	10.8
221.04669	4.8
226.99918	26.5
228.00388	2.7
229.01439	42.2
230.02113	9.1
231.02995	37.9
235.02478	2.5
242.99313	8.5
244.00102	3.2
245.00926	39.2
246.01363	4.2
247.02534	39.5
248.02753	3.0
249.04042	17.8
254.99306	6.7
257.00919	17.9
258.01480	2.5
261.00336	9.2
263.01892	5.2
270.98907	27.6
271.99338	3.8
273.00412	69.3
274.00894	8.0
275.02011	69.8
276.02405	5.5
283.99377	3.5
287.12271	2.3
288.99930	4.8
291.01431	9.3
298.98334	71.8
299.98828	15.2
300.99908	100.0
302.00162	9.7
316.99274	5.4
319.00705	5.4
325.17996	2.5
333.02573	2.8
399.03287	4.0
425.01880	2.1
443.02679	2.7
461.03549	7.6
463.05179	2.6
735.04364	5.9
737.06061	4.4
744.91949	2.3
745.03729	15.9
746.03815	7.3
753.05493	5.3
763.04187	13.8
764.03876	4.6
777.05231	7.9
781.05194	7.6
795.06482	2.9
813.08093	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	831.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	2.3
69.27852	9.2
76.20868	1.4
81.03484	1.2
83.01349	1.3
85.02922	1.4
89.03979	1.5
91.01903	1.3
93.03486	2.2
95.01407	3.0
98.22466	2.9
99.00946	1.8
109.02948	2.3
117.03485	4.6
119.05035	2.9
121.02999	1.5
123.00902	6.7
125.02456	16.2
126.02843	1.7
129.03517	2.2
131.05060	1.8
133.02972	4.4
135.00908	1.4
135.04543	4.6
137.02483	8.6
145.02969	12.3
147.00905	3.2
147.04578	8.4
148.01648	1.7
149.02486	3.5
151.03946	2.7
151.32426	1.3
157.02974	3.7
159.00899	1.4
159.04492	7.0
160.01643	2.3
161.02484	9.3
163.00389	9.6
163.04015	9.8
165.01942	3.5
169.01457	12.2
173.02444	10.6
175.04005	15.4
176.04288	1.8
177.01976	9.4
179.03575	2.3
185.02469	6.3
185.06111	1.4
187.04115	2.9
189.01938	12.6
190.02768	7.2
190.99884	3.8
191.03546	17.6
192.00658	1.4
192.03966	1.7
193.01381	4.0
199.00403	1.8
200.01076	2.7
201.01962	14.9
203.03540	28.2
204.03999	2.1
205.01416	1.7
207.02971	4.8
209.00882	2.4
213.01906	3.6
214.02678	1.9
214.99881	2.1
216.00623	2.0
217.01468	16.4
218.02187	2.8
218.99420	2.0
219.03001	8.3
221.01019	1.4
221.04555	4.7
222.01627	1.4
226.99823	3.1
229.01421	22.7
230.01819	4.4
231.03001	26.9
232.03389	1.7
233.00795	1.8
235.02444	1.6
237.00394	3.4
242.99345	4.1
244.00087	1.7
245.00932	25.1
246.01512	2.7
247.02489	40.1
248.02820	3.6
249.04089	9.2
251.01973	5.5
257.00946	14.1
258.01691	5.5
261.00323	2.6
263.01953	1.4
270.98856	12.6
271.99261	1.5
273.00433	40.2
274.00980	4.7
275.01996	75.4
276.02322	6.8
283.99823	2.8
291.01425	11.1
293.02771	1.8
298.98370	18.1
299.98969	7.9
300.99927	100.0
302.00107	9.0
307.04630	2.7
316.99643	1.7
319.01172	1.6
333.02603	3.9
351.03598	35.3
352.04102	3.6
363.03745	2.0
379.07025	1.4
393.04730	6.0
417.04651	5.1
435.05661	11.0
436.05478	1.7
441.08057	1.4
451.05850	1.7
453.06851	1.9
461.03784	1.9
463.05243	2.1
479.04468	4.0
572.10663	1.5
745.03320	2.2
746.03101	1.4
755.06982	4.8
756.07288	1.7
763.04236	3.1
781.05249	2.6
795.06915	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	831.091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	5.9
68.51200	3.6
68.96627	12.2
68.97034	26.8
71.01371	5.0
75.02410	4.0
84.72433	3.0
91.01897	3.8
93.03490	4.6
99.00892	7.9
109.02960	6.5
111.00922	6.2
117.03510	10.7
119.05032	10.0
119.44195	3.5
121.02976	10.5
123.00871	6.0
125.02467	15.0
129.03471	6.2
131.01393	4.0
131.05014	4.4
133.02985	12.3
135.00871	5.7
135.04567	8.9
137.02460	38.6
145.02974	31.0
147.04527	16.0
148.01717	3.7
149.02496	25.2
151.00345	4.3
157.02925	8.8
159.04515	16.7
161.02496	25.3
163.00349	35.7
163.04007	21.2
165.01952	14.5
165.05534	6.4
166.99907	4.1
169.01468	8.6
169.97021	3.4
171.00842	8.2
173.02434	21.3
174.03165	5.2
175.00479	3.7
175.04054	27.5
176.01088	5.6
177.01939	20.2
177.05641	6.3
181.60762	3.3
185.02481	6.5
187.00389	9.4
187.04073	6.0
189.01933	31.1
190.02711	13.3
190.99835	22.0
191.03522	34.8
192.03813	5.6
193.01430	32.6
199.00395	4.9
200.01193	7.9
201.01933	28.4
203.03516	40.5
205.01419	7.9
205.04961	6.2
209.00935	11.7
214.99960	10.8
216.00703	8.4
217.01472	40.1
218.02107	4.1
219.03011	22.4
221.00845	8.2
221.04636	12.5
226.99911	14.9
228.00679	4.7
229.01427	34.4
230.01941	5.8
231.03027	37.2
232.03331	4.4
233.00941	6.0
235.02460	5.6
237.00290	17.6
237.07832	4.5
242.99438	16.8
243.02753	4.7
244.00014	5.2
245.00940	50.8
246.01311	8.5
247.02490	100.0
248.02901	8.3
249.04121	9.4
257.01031	7.9
259.99524	4.3
261.00473	10.0
263.01999	13.1
263.05649	10.5
269.55908	3.7
270.98886	47.9
271.99234	7.9
273.00409	85.2
274.00919	8.5
275.01935	34.5
277.03690	4.0
285.64136	4.0
291.01526	36.7
298.98355	93.3
299.98987	18.9
300.99878	70.5
305.02789	4.2
307.04584	35.2
316.99628	6.5
325.05759	10.8
334.19894	3.3
351.03531	50.2
363.03659	4.1
399.03589	4.0
417.04767	12.7
433.04044	5.0
435.05710	11.8
443.02594	8.6
461.03793	9.3
610.99646	4.0
751.07361	4.9
769.09003	8.7
795.06915	70.2
796.07513	23.8
813.07788	12.9
814.07837	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	831.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.5
65.63448	1.3
70.09484	1.3
71.26390	2.1
72.72041	1.5
108.02173	1.7
117.03460	4.5
119.05068	3.9
121.84651	1.3
145.02985	11.2
163.04021	2.9
174.03233	1.8
175.03941	2.2
185.02197	2.1
199.90488	1.5
215.03304	2.5
227.03470	2.7
243.02948	5.4
254.02501	2.3
255.03096	15.6
255.61137	1.4
271.02521	38.0
272.02945	4.3
293.68185	1.4
299.02048	7.5
300.02774	100.0
301.03253	9.0
314.04153	1.5
315.05148	76.5
316.05386	8.1
353.10211	2.4
459.09436	1.9
477.10580	9.8
515.15430	2.8
633.77582	1.8
685.17255	2.3
801.20245	4.9
813.19849	6.5
831.20435	8.8
832.21460	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	833.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	2.1
65.03931	1.0
67.01888	1.1
69.07082	3.0
69.07504	6.0
71.01375	1.6
78.44711	0.8
83.01379	1.0
85.02951	2.0
89.03959	1.3
91.01877	1.6
93.03452	1.7
95.01403	2.4
97.02952	1.0
99.97836	0.8
103.05565	1.1
105.03443	1.3
107.01388	2.5
107.05067	1.0
109.02964	2.7
111.00896	4.8
111.16924	0.7
111.50658	0.8
111.91331	0.8
114.90688	0.8
117.03467	3.8
119.01391	1.1
119.05047	4.2
120.01308	0.8
121.02978	1.7
123.00928	4.2
123.01777	0.8
123.04491	0.9
124.01706	2.1
125.02456	10.1
129.01958	2.2
129.03468	1.6
131.05040	2.0
132.02167	1.5
133.02943	3.9
135.04509	3.5
137.02438	7.8
138.03152	0.8
139.00385	1.6
143.01479	1.1
145.02977	10.2
146.03590	0.8
147.00845	1.5
147.04538	8.1
149.02509	4.2
154.99828	1.1
157.02986	3.2
159.04541	6.6
160.22925	0.8
161.02486	8.7
162.02448	2.6
163.00394	14.7
163.04042	10.0
164.01006	1.5
165.01947	3.2
169.01416	3.9
171.00893	1.1
173.02481	9.5
174.03198	1.8
175.00348	1.5
175.04010	8.4
176.01166	1.1
176.04326	1.2
177.01961	7.0
177.05574	2.1
178.99896	1.7
179.03517	1.9
179.07207	1.2
185.02423	6.1
187.00381	3.7
187.04013	3.8
188.01105	0.9
189.01949	10.5
190.02686	4.6
190.99869	1.9
191.03535	19.3
192.00609	1.6
192.03813	1.5
193.01419	4.8
193.05093	1.2
199.00508	1.3
200.01021	1.5
201.01949	9.4
202.02501	2.1
203.03494	13.9
204.03958	1.0
205.01376	3.1
205.05118	4.1
206.99339	1.1
207.02997	1.9
209.00992	1.9
213.01907	2.4
214.99831	3.0
216.00594	3.1
217.01424	10.2
218.01894	1.9
218.99362	1.7
219.03011	8.0
221.04556	3.0
226.99992	2.1
228.00603	1.2
229.01460	16.5
230.01917	2.5
230.99522	1.1
231.03015	10.7
232.03322	1.0
233.00847	1.8
235.02570	7.6
237.00421	6.1
237.04050	2.8
241.59460	0.9
242.99384	3.6
243.99841	1.3
245.00938	16.8
246.01292	2.0
247.02551	13.7
248.02737	1.6
249.04114	15.4
250.04297	1.9
257.00940	15.7
257.32852	0.9
258.01514	6.2
259.99634	1.4
261.00412	7.1
263.02081	4.1
265.03604	0.9
270.98868	5.6
271.02255	1.1
271.99387	2.0
273.00455	16.0
274.00873	4.3
275.01993	77.2
276.02313	7.5
277.03183	1.5
283.99698	2.1
286.98288	2.5
288.99966	3.4
291.01492	2.6
292.02072	1.0
293.03036	12.7
298.98328	5.5
299.99014	3.8
300.99921	100.0
302.00247	11.4
303.00650	2.0
307.01047	1.8
307.04602	2.1
319.00961	5.2
335.04221	1.6
337.01968	1.8
337.05789	1.6
351.03305	1.1
365.04785	1.4
369.01129	1.7
379.03101	2.9
387.03217	1.2
405.04773	2.1
407.06326	1.2
415.02902	1.1
419.19168	1.2
423.05707	1.0
449.03903	1.6
451.05493	1.2
463.04892	1.1
725.05945	1.4
727.08466	1.7
751.04926	1.4
763.12134	1.1
815.07715	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	833.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99488	0.8
71.89515	0.7
83.21059	0.9
84.00655	0.8
95.01401	1.3
98.22177	5.9
98.35193	0.8
104.88926	0.8
109.02970	1.9
117.03493	1.3
119.01385	1.1
119.05008	1.0
121.02955	1.1
123.00895	2.7
124.01712	0.9
125.02486	5.3
129.03436	1.2
131.05058	1.1
133.02988	1.4
133.58426	0.8
137.02455	4.7
137.21719	0.8
145.02943	4.1
147.04530	3.0
149.02522	1.6
154.66078	0.9
157.02980	1.5
159.04544	5.0
161.02475	1.2
163.00369	6.4
163.04002	2.2
165.01953	1.9
173.02440	4.4
175.04018	4.5
177.01973	3.3
185.02431	6.8
187.04010	2.5
189.01912	2.6
190.02689	2.2
191.03543	5.8
193.01434	3.3
201.01935	7.1
202.02580	1.0
203.03514	12.3
205.01445	1.2
205.05074	1.5
209.00941	0.9
213.01817	1.5
217.01436	2.9
218.01932	0.9
219.03000	3.5
229.01440	16.1
230.01836	2.2
231.02995	12.5
237.00407	1.8
245.00793	6.0
247.02521	5.4
248.03255	1.2
249.04047	19.6
250.04402	2.0
257.00922	20.0
258.01624	6.2
259.02100	0.9
263.21262	0.9
273.00580	4.8
274.01062	1.8
275.01993	75.8
276.02267	9.3
283.99625	2.3
293.03088	6.7
299.99207	2.5
300.99915	100.0
302.00217	10.0
303.00342	1.5
319.00809	1.6
326.52295	0.8
333.02408	1.5
337.02097	0.8
379.02875	1.3
386.53864	0.9
406.08267	0.9
419.06088	1.2
463.05219	9.0
464.05356	1.5
481.06491	2.9
482.07251	1.2
533.25012	0.9
594.40503	1.0
701.06378	1.2
757.08325	1.0
783.07153	8.9
784.06573	1.9
801.08051	2.4
815.09369	1.7
830.99274	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	833.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11825	0.5
66.63411	0.5
67.71407	0.5
89.03989	0.7
95.01389	2.1
98.21777	1.7
99.00835	0.6
101.02454	0.8
109.02975	1.6
117.03474	1.3
119.05027	1.5
123.00877	3.4
124.01715	0.6
125.02460	5.1
129.01898	0.9
129.03470	1.3
131.05051	1.6
133.02960	1.0
135.04559	0.8
137.02461	3.7
141.03529	1.1
145.02983	2.4
147.04541	2.9
149.02495	1.5
151.03931	0.6
157.02931	1.1
158.03732	0.9
159.04539	5.1
161.02380	1.6
161.06078	0.8
163.00371	7.5
163.04030	2.0
164.01102	0.6
165.01936	1.2
168.75998	0.5
173.02408	4.2
174.03220	0.8
175.04016	7.1
176.01086	0.6
177.01982	3.9
177.05640	0.8
185.02451	5.3
187.04033	1.6
189.01897	2.1
190.02679	2.0
191.03558	3.1
193.01411	1.7
201.01939	7.6
202.02437	1.0
203.03511	12.1
204.03842	1.9
205.01450	1.0
205.05095	3.6
206.99338	0.9
213.01927	2.0
214.02582	0.7
217.01498	2.6
219.03015	3.2
221.04541	1.6
229.01410	15.2
230.02045	2.2
231.03014	15.3
232.03322	1.5
237.00386	3.2
245.00903	4.1
247.02475	5.4
248.02846	0.7
249.04053	22.3
250.04367	1.8
251.01724	0.7
257.00937	17.6
258.01593	5.3
273.00391	3.6
274.01080	1.3
275.01987	76.4
276.02319	6.8
283.99622	2.0
285.05255	0.8
293.03049	7.9
294.03369	0.8
299.99170	2.0
300.99905	100.0
302.00247	8.3
319.00952	2.3
330.88284	0.6
337.01840	0.9
351.03592	2.8
352.03693	1.4
353.04004	0.7
379.03067	2.6
421.04001	1.5
445.04233	0.8
445.52567	0.6
463.05219	9.9
464.05463	1.3
481.06296	2.8
499.07205	1.9
623.31598	0.7
701.06140	3.1
711.61737	0.6
739.07764	0.8
757.08856	0.9
783.07068	8.0
784.06604	2.1
801.07788	2.0
810.47278	0.7
815.08856	1.1
841.19104	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	833.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
69.25684	7.3
71.01379	1.3
73.51151	0.9
88.79685	0.8
90.25784	1.0
98.42441	1.0
100.08356	1.1
107.01412	2.0
108.02184	1.5
124.85500	0.9
148.01736	1.2
151.00371	5.6
159.30418	0.8
163.00407	1.4
169.01393	1.7
175.88448	0.8
178.99878	2.9
186.38608	0.9
187.03973	1.2
209.11830	1.8
227.03505	3.5
239.33360	1.0
243.03015	10.7
254.02248	2.0
255.03038	26.7
255.05655	1.7
256.03348	2.6
259.00421	1.1
271.02496	54.4
272.02988	5.4
300.02768	100.0
300.99869	0.7
301.03351	22.3
315.05118	9.1
475.09164	4.4
480.94717	0.9
517.09924	84.8
518.10156	15.2
817.73560	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	833.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
59.55133	1.0
61.98845	1.8
62.32882	0.9
83.80450	1.0
99.92585	1.1
116.92884	5.7
135.04405	1.0
145.02908	1.8
150.06918	1.5
190.05106	2.9
198.09346	2.7
212.05899	1.2
226.07440	2.3
228.09039	2.9
229.55217	1.5
239.11954	11.8
240.11961	1.0
241.09840	72.7
242.10184	5.9
243.11424	1.9
256.12192	39.5
257.12573	3.6
300.11221	8.1
301.11700	1.5
315.13531	100.0
316.13867	8.9
337.11987	3.3
436.74002	1.1
517.18188	13.3
518.18622	2.7
725.28357	1.3
757.30969	1.2
833.31067	2.3
833.45679	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	833.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	42.0
60.45231	3.3
63.89363	3.5
69.17217	26.8
71.01399	23.6
72.99307	5.0
73.02936	3.2
85.02945	4.5
89.02449	22.4
96.96027	3.4
98.22512	4.0
101.02456	13.3
106.06613	4.2
113.02431	7.5
119.03517	4.6
120.54227	3.3
122.06129	11.0
125.02467	4.6
134.06142	40.0
135.06490	3.5
152.07169	9.0
156.45583	3.5
186.05563	4.1
195.06490	3.4
207.72298	3.2
237.10358	7.3
250.07437	8.1
251.08076	3.7
255.02988	6.5
262.48764	3.5
263.08215	7.5
265.09766	26.4
271.02472	7.7
277.09903	16.6
278.07016	10.4
291.07785	3.4
292.08521	2.9
293.09357	100.0
294.09668	11.1
299.01923	9.8
299.05432	6.2
300.02676	6.0
305.09326	29.9
306.09641	4.4
314.12631	7.0
370.15820	3.1
380.72559	3.6
398.14941	13.9
410.15076	5.2
411.79135	3.3
430.18100	3.9
440.16171	11.0
522.12573	3.1
592.22931	10.2
620.22668	27.0
621.22974	5.2
634.23718	5.9
650.76282	3.6
664.21619	60.1
665.21863	12.4
679.23700	32.7
680.23969	5.1
696.24377	17.2
697.25177	5.1
710.25482	4.7
711.25885	10.7
725.28418	45.9
726.28589	10.7
757.30780	11.2
758.30676	3.8
801.16083	4.9
801.30005	80.0
802.30273	23.8
833.32574	32.5
834.32788	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	834.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.1
61.98835	100.0
62.14546	0.1
62.98538	0.1
69.52834	0.1
71.01389	0.6
76.43195	0.1
89.02435	0.2
98.22379	0.5
114.28162	0.1
116.92862	0.2
125.02456	0.2
149.77426	0.1
169.01526	0.1
178.89381	0.1
209.11880	0.6
211.13446	0.3
227.12988	0.3
273.00739	0.1
301.00024	0.1
314.53259	0.1
353.08536	0.1
397.13562	0.2
581.33636	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	834.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98837	100.0
62.72297	0.3
71.01410	0.3
72.00274	0.2
72.57442	0.2
82.95435	1.0
88.73085	0.3
96.96059	0.8
98.22615	0.6
171.10339	0.4
211.13367	0.3
212.13882	0.2
228.95532	0.3
232.92101	0.2
249.76889	0.3
289.18188	1.3
291.19836	1.1
307.19431	1.1
309.20773	2.0
531.35596	0.3
817.48029	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	835.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
70.52922	2.2
74.74099	1.0
79.65656	0.9
99.00912	1.1
105.03458	1.2
107.05017	2.1
113.02364	0.9
119.05028	2.1
121.02980	1.9
121.06608	2.2
131.05060	0.8
133.06613	7.7
135.04536	4.3
137.02451	2.0
143.05069	1.4
145.02989	3.1
146.03700	0.8
147.04558	0.8
149.02464	3.4
149.06094	3.2
151.04010	6.7
159.04546	5.3
161.02464	1.4
161.06091	13.7
162.03270	3.2
162.06483	1.1
163.04025	20.4
165.01952	1.4
169.01486	1.0
173.02403	1.3
175.04057	3.9
177.01953	1.4
177.05580	7.9
187.04001	8.5
190.02724	3.9
191.03455	1.5
193.01424	19.4
203.03505	5.1
204.04149	0.9
205.05060	24.2
206.02185	0.8
206.05362	1.4
217.01445	1.1
219.03101	2.0
229.01433	1.0
231.03004	2.9
233.00900	1.8
237.00375	1.6
245.00966	1.6
247.02438	5.4
248.02766	1.1
249.04071	15.9
257.00845	1.3
270.98947	1.9
273.00372	1.6
275.01993	3.7
291.01303	1.2
293.03049	3.1
298.98370	2.5
299.98618	0.8
300.99899	5.9
337.02029	100.0
338.02341	8.7
451.04996	1.1
479.04669	4.0
481.06613	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	835.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	6.6
66.62033	1.4
71.27436	1.9
74.31710	1.3
78.93034	1.1
101.07175	1.3
107.01393	4.8
111.00842	1.4
119.05024	4.6
121.02936	1.3
123.00890	3.1
124.01665	1.8
125.01535	2.8
125.02464	56.1
125.07225	9.1
126.02782	1.9
127.05154	11.0
128.03558	2.3
139.00397	3.2
139.04002	1.7
140.01192	2.4
143.08226	4.7
151.00325	2.4
167.03566	2.0
168.00677	9.2
169.01447	56.9
170.01727	2.4
187.97186	1.3
193.01443	10.7
211.02501	35.1
212.02829	2.1
221.12930	3.5
243.02663	1.4
247.10844	13.9
263.14011	2.2
265.12009	10.8
271.04611	24.2
287.07748	3.2
307.13043	50.7
308.13245	3.8
313.05734	9.2
331.06870	8.9
362.70410	1.2
382.05673	1.3
439.08826	16.7
440.09238	1.5
465.07077	1.4
483.07852	100.0
484.08237	15.6
510.10623	1.4
754.52051	1.4
775.63556	1.3
832.81268	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	835.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.2
62.19047	1.1
63.02430	1.2
64.52125	1.4
65.00321	2.5
69.09542	4.4
69.09959	5.3
80.94920	1.0
83.01392	3.0
89.02425	1.3
107.01402	4.5
108.02190	2.2
109.02971	2.4
121.02969	3.6
123.04490	1.3
125.02444	2.6
127.20116	1.1
134.06137	2.7
135.00830	1.7
145.03015	1.3
148.01685	2.5
149.02419	2.3
150.03233	2.2
151.00400	16.8
153.66196	1.2
161.02486	2.0
163.00365	4.3
165.05582	2.7
165.37987	1.1
169.01401	2.4
178.99873	5.4
199.04010	2.9
200.14603	1.4
201.01932	1.4
211.03978	1.6
215.03514	1.8
226.02716	3.3
227.03514	5.1
243.02977	19.9
244.03500	2.2
245.04541	2.8
254.02139	3.0
255.03014	39.9
255.05705	2.1
256.03336	4.2
271.02512	98.7
272.02911	11.4
273.03940	2.0
283.02518	1.5
299.02005	24.3
300.02774	100.0
301.03467	37.4
302.03671	2.9
313.03568	3.2
314.04315	2.5
315.05203	3.2
463.08789	4.0
534.92462	1.3
637.12402	1.9
638.12750	3.6
639.13770	14.2
640.13586	3.1
693.14740	11.0
694.14893	1.9
771.28931	2.8
787.18420	2.6
803.31067	3.4
817.19818	7.0
818.19849	2.7
835.20947	37.0
835.34082	1.7
836.21100	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	835.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	53.7
69.19161	44.5
69.19582	17.8
71.01408	39.2
72.99332	8.7
81.03456	39.2
82.39558	8.2
83.01417	10.6
89.02457	33.1
95.05025	13.4
96.96023	12.7
97.75632	6.8
101.02449	23.9
104.65574	7.6
106.06641	10.1
113.02463	11.9
119.03505	8.9
121.06587	7.4
122.06151	11.7
125.02484	54.7
134.06148	56.4
147.08183	10.3
150.05638	8.9
152.07182	16.5
169.01454	27.4
199.13477	11.2
209.11845	52.7
227.12924	31.0
247.66086	8.5
251.11932	12.2
279.11313	16.5
309.12289	11.1
310.13245	25.0
358.91638	8.4
370.43088	8.6
378.09879	7.7
425.17468	11.1
604.22693	12.6
605.23425	9.2
636.25287	14.7
637.26398	11.3
681.25238	64.1
682.25812	11.0
712.25482	11.2
727.29382	15.9
728.30737	10.8
759.31989	33.0
803.31744	100.0
804.31885	38.8
835.34906	28.4
835.50684	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	47.9
64.15425	4.5
71.01389	30.7
87.00925	6.3
89.02442	21.4
98.21720	12.5
101.02446	15.3
109.03061	5.2
112.25011	5.6
119.03476	5.8
122.06131	11.4
125.02442	7.5
134.06120	23.7
152.07144	8.2
158.78061	4.7
160.21761	5.1
169.01501	10.9
188.07091	6.3
190.05214	7.6
199.13451	11.2
209.11804	69.3
219.58670	5.3
227.12970	37.9
228.88278	6.4
251.08310	5.7
251.12013	6.0
253.09767	11.8
265.09647	7.2
277.10162	7.6
279.11218	7.0
293.09286	19.7
295.10834	12.2
300.99689	12.6
305.09415	6.2
307.10883	8.6
397.13425	18.6
572.67706	5.5
638.23090	7.5
649.22449	6.6
666.23132	47.7
667.23517	13.0
680.24652	12.1
712.27246	15.3
727.29865	7.3
771.28790	44.1
772.28137	10.2
803.31500	100.0
804.31641	38.1
835.34082	21.7
836.34210	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	835.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.9
59.01389	29.5
70.97803	2.8
71.01386	24.4
72.99309	2.6
73.02945	2.4
80.05068	4.4
83.01375	1.7
83.05046	3.4
85.02962	6.4
87.00878	2.2
89.02455	16.9
95.01391	2.4
96.96043	1.8
97.02977	2.4
98.22240	1.9
101.02445	12.7
104.05080	2.1
106.06638	5.0
113.02478	7.6
114.89243	1.6
119.03506	5.6
122.06139	9.4
123.04797	1.4
125.02463	5.7
129.32118	1.3
134.06134	29.4
134.07103	2.7
136.07713	1.7
146.06123	1.9
148.19493	1.2
152.07173	6.0
160.03897	1.4
163.04016	1.6
163.11256	2.7
169.01427	4.2
179.05620	2.2
180.06612	2.4
181.12405	2.2
188.07182	1.5
190.05093	2.4
190.81932	1.5
209.11852	51.8
210.12163	3.9
211.08766	3.1
211.10690	1.5
213.10349	5.6
223.08847	1.9
225.10390	3.1
227.13010	15.3
235.08487	2.0
237.10394	3.1
239.11928	5.2
241.13506	5.6
242.63968	1.5
249.10326	2.7
250.07242	1.4
250.11055	1.7
251.08214	3.2
251.11867	2.5
253.09889	3.9
262.07489	1.7
263.08234	3.2
263.11777	2.1
265.09848	5.5
266.10330	1.9
267.11472	4.2
276.09042	1.6
277.09750	5.0
278.07114	3.1
278.10629	6.8
279.07660	5.2
279.11340	6.8
280.08115	1.5
285.12411	7.8
291.07559	1.9
291.11069	2.1
292.08453	2.5
293.09366	12.8
293.12610	2.9
294.10007	4.9
295.10864	6.4
300.99948	3.1
305.09277	3.9
307.10950	8.7
309.12482	1.9
321.08688	3.6
329.16589	1.7
333.08841	2.4
337.08304	2.0
339.09891	5.3
351.09918	4.4
357.14954	1.7
358.15591	2.9
370.15652	1.7
372.17374	1.5
397.13641	13.4
398.14880	3.7
400.16718	6.8
410.15079	2.9
412.16611	5.0
415.14517	3.3
417.24460	1.7
442.17545	2.2
458.17383	1.6
466.53671	1.4
468.16022	2.8
486.17078	3.5
575.73096	1.4
595.25818	1.7
620.22504	3.9
621.23206	1.9
638.23590	6.4
648.22095	4.0
649.22235	5.6
666.23175	34.4
667.23468	7.1
680.24023	4.2
681.24792	2.9
712.27600	11.8
713.26868	3.3
727.29901	7.2
728.29816	2.4
771.28870	50.0
772.29126	14.1
803.31531	100.0
804.31824	30.4
835.34125	16.5
836.34570	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	835.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.4
59.01384	27.6
71.01393	16.5
72.99302	1.8
73.02954	1.1
74.38949	0.9
74.40901	0.9
80.05084	2.2
83.01407	1.7
85.02973	3.8
87.00883	1.0
89.02454	10.4
89.12121	1.0
96.96038	2.3
101.02449	9.4
106.06645	4.9
107.03787	1.1
110.32905	1.1
113.02495	5.4
119.03522	4.2
121.05334	1.1
122.06145	10.2
125.02354	1.0
130.06636	1.0
132.04547	1.7
134.06139	31.3
135.06517	1.2
136.07732	1.1
146.06131	1.5
148.04062	1.2
151.12753	0.9
152.07169	5.9
160.06375	1.4
169.16289	1.0
174.05627	1.4
180.06667	2.5
188.07248	2.7
190.05109	2.0
211.08810	1.8
213.10297	6.2
223.08788	1.1
223.12392	1.7
224.09602	1.2
225.10338	3.4
226.11189	1.2
227.11887	1.7
237.10278	2.6
238.07497	1.6
239.11903	6.5
241.13533	2.7
249.10339	2.8
250.07684	1.6
250.10512	0.9
251.08273	3.4
251.11882	4.7
252.08998	2.8
253.09831	4.8
263.08310	3.1
264.09006	2.0
265.09781	4.8
266.10535	1.3
267.11377	5.7
271.02548	1.1
277.09784	4.9
278.06985	2.7
278.10559	4.0
279.07758	6.1
279.11081	6.9
285.12512	9.8
291.07837	2.1
291.11136	1.8
292.08603	3.3
293.09473	10.7
293.12869	2.0
294.09991	3.8
295.10782	6.2
301.03354	1.3
305.09378	3.1
306.10141	1.8
307.10880	6.3
309.12640	1.2
314.12613	2.9
321.08813	3.7
323.10364	1.0
333.08807	1.5
337.08383	2.6
339.09842	4.9
342.12424	1.4
351.09772	2.8
358.15677	3.2
370.11682	1.4
370.15738	1.6
372.17197	1.1
384.13519	2.4
397.14081	1.2
398.15079	2.1
399.15839	1.8
400.16669	5.4
401.17261	2.0
410.15320	1.5
412.16690	3.7
413.17291	1.1
414.18420	1.3
425.17264	1.4
440.16061	1.2
458.17178	1.2
468.15762	2.5
486.16705	3.2
588.89276	1.0
620.22638	2.9
621.23041	1.5
638.23584	8.2
639.23273	1.6
648.21954	4.2
649.22858	3.5
666.23163	31.4
667.23376	6.9
680.24371	3.0
681.24713	1.3
698.25494	3.0
712.27319	6.7
713.27484	2.2
727.29700	6.5
728.29456	1.3
730.08911	1.2
771.28876	44.2
772.29126	14.2
803.31555	100.0
804.31769	29.8
804.43018	0.6
835.19403	1.8
835.34076	22.3
836.34235	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	835.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01130	4.5
59.01391	51.1
71.01397	33.2
71.25934	5.0
73.02958	4.2
80.05087	4.3
83.01381	5.0
85.02959	7.9
85.25401	3.0
86.89281	3.3
89.02453	25.5
101.02478	21.2
104.05032	4.3
106.06638	10.2
108.04529	3.3
113.02485	10.4
119.03493	5.1
122.06191	16.4
125.02455	6.1
134.06128	60.2
134.59929	3.9
135.00815	3.7
136.07661	4.8
146.06145	4.5
152.07166	8.7
160.04146	3.6
169.01451	3.3
180.06656	4.7
191.83293	3.1
209.11813	12.8
213.10326	12.5
215.12280	3.3
225.10356	5.7
227.13074	4.5
235.08746	4.5
237.10469	4.5
239.11958	12.4
241.13507	6.5
243.03195	3.5
251.08356	5.8
251.11880	5.2
252.08966	6.1
253.09862	11.2
254.10670	3.6
255.03055	9.4
263.08255	5.9
264.08908	4.3
265.09900	8.2
267.11490	10.9
271.02502	24.4
277.09775	5.6
278.06573	3.7
278.10550	7.1
279.07703	9.3
279.11285	9.1
285.12500	10.2
292.08545	5.6
293.09256	17.5
294.10211	6.4
295.10858	12.4
299.02036	5.4
300.02725	22.0
301.03406	8.9
305.09247	4.6
307.10947	10.7
321.08871	5.2
321.12411	4.9
351.10104	4.5
358.15625	8.8
397.13422	3.9
399.15649	4.1
400.16748	18.4
401.17233	5.6
401.83011	3.8
412.16644	9.2
475.17227	4.3
486.16605	4.4
592.19818	4.1
604.23053	4.2
638.23669	8.6
649.23071	5.0
666.23114	26.1
667.22577	7.2
680.24268	8.1
685.28918	5.0
698.25317	10.8
712.26880	17.4
713.27844	5.9
724.30676	3.7
727.29938	17.9
728.30005	4.6
759.31580	5.2
771.28790	89.8
772.29254	28.8
803.31537	100.0
804.31683	29.4
835.34125	85.5
836.34387	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	835.398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.5
59.01092	0.3
59.01386	8.8
69.03461	0.7
69.20058	1.0
69.20486	1.0
71.01392	9.2
72.46791	0.2
72.99307	0.8
73.02950	1.0
76.88493	0.2
80.02684	1.4
81.03454	2.0
83.01391	0.6
83.05037	5.5
84.02177	1.0
84.05340	0.3
85.02952	2.0
87.00874	2.0
89.02454	7.8
93.03476	0.4
95.01399	0.7
95.05050	0.6
96.96001	0.7
97.02953	1.3
99.00911	0.4
101.02457	6.7
109.06623	0.3
111.04510	0.2
112.98575	0.3
113.02464	3.8
114.04160	0.2
119.03518	2.0
122.64963	0.2
123.00909	0.5
123.35870	0.2
125.02463	3.5
125.06065	0.4
128.03545	0.3
131.03490	0.4
134.06157	0.3
135.08179	0.8
143.03494	1.0
146.04503	0.4
147.11790	0.2
149.04675	0.2
161.04553	1.8
163.11324	3.7
164.43880	0.2
165.12862	3.0
169.01471	0.6
171.10283	1.1
179.05667	2.1
181.12354	0.7
184.86330	0.3
191.07773	0.2
191.10779	1.1
198.51031	0.2
199.13405	1.3
207.10408	0.4
209.11848	100.0
210.12189	7.2
211.13434	0.5
217.07071	0.4
218.01765	0.2
221.06674	0.8
221.11783	0.4
223.13428	0.2
227.12907	17.2
228.13225	1.3
229.14420	0.5
235.08205	2.1
235.35226	0.3
239.85814	0.2
247.13408	1.0
251.12967	0.3
253.09238	0.5
260.17685	0.2
263.07916	0.2
265.14401	0.5
287.07761	0.8
300.99893	0.5
302.00256	0.2
305.08691	1.0
323.09915	0.6
343.93259	0.2
356.13205	0.2
379.12457	2.1
397.13522	17.6
398.13916	1.8
401.23218	0.4
415.14621	5.4
416.15173	0.5
531.58472	0.2
589.25165	0.3
607.26056	0.9
613.72614	0.2
625.26855	0.5
681.25275	0.5
731.70941	0.2
779.91724	0.3
799.37231	1.0
803.31262	0.6
804.30896	0.4
817.38757	1.0
818.38379	0.4
835.36230	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	835.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.8
64.71125	0.7
69.03437	0.8
71.01382	9.2
71.26983	1.1
72.99318	0.8
73.02946	1.6
75.94939	0.5
77.20695	0.5
80.02707	0.6
81.03470	2.2
83.01380	1.2
83.05038	6.0
84.02159	1.2
85.02958	1.6
87.00896	2.3
89.02459	7.5
89.48256	0.7
89.72441	0.5
95.05020	1.5
96.96017	0.7
97.02974	2.1
101.02469	6.5
111.04560	0.6
113.02483	3.9
119.03527	2.4
122.19175	0.6
125.02457	4.5
125.21661	0.6
135.02548	0.6
135.08229	0.5
143.03468	1.4
150.03333	0.6
161.04613	1.4
163.11314	3.6
165.12843	3.0
169.01450	1.7
171.10330	1.3
179.05655	2.1
186.87915	0.6
190.96378	0.6
191.10780	0.8
209.11850	100.0
210.12199	6.4
227.12912	17.6
228.13264	1.4
235.08194	1.8
247.13472	1.0
251.12883	0.6
379.12518	2.3
379.19098	0.7
397.13541	18.6
398.13910	2.0
415.14578	5.1
416.14978	0.8
775.34833	0.8
799.38000	1.7
835.40234	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	835.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	48.4
66.22271	25.2
78.95921	34.6
84.34037	24.5
85.22268	24.7
96.95998	26.9
122.06047	34.4
169.69873	34.7
216.73959	29.4
277.61981	26.7
289.18179	89.6
291.19736	100.0
309.20807	98.0
432.84421	29.0
447.62534	27.8
486.60410	29.6
577.63434	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.8
60.12107	0.7
61.98840	19.2
62.46122	0.7
71.01379	6.6
71.37016	0.7
79.95762	1.1
80.02651	0.9
80.03576	0.8
81.03447	1.3
82.95428	8.4
83.01385	0.9
85.00431	1.3
85.02943	1.7
87.00877	1.3
89.02457	4.0
93.03494	0.9
94.92538	0.9
95.01415	1.2
95.05051	2.0
96.88695	0.8
96.96001	1.0
97.02966	3.1
97.06590	2.4
99.00920	1.0
101.02457	6.2
111.04565	0.9
113.02454	2.8
115.07639	1.3
119.03475	0.8
123.00941	0.9
123.04517	1.5
123.08169	1.1
125.09721	2.9
135.51921	0.8
137.09723	2.5
139.11284	0.7
141.09253	1.5
141.12852	1.3
145.05066	1.5
149.06116	1.2
161.04588	3.4
163.11319	8.1
165.12880	3.6
167.14368	1.5
171.10312	6.5
181.12433	3.8
185.11848	6.8
191.14432	10.6
193.12410	1.1
195.13937	2.5
207.10257	4.4
209.11847	3.6
211.13399	1.6
217.15952	1.5
221.15421	2.8
223.13438	1.5
225.11356	5.1
235.08179	6.5
241.14462	1.1
245.19122	17.4
246.19595	1.9
247.20641	3.2
253.09317	19.5
255.15866	1.0
263.19995	1.4
265.21762	0.9
271.16989	1.8
273.18677	1.8
289.18140	100.0
290.18518	11.3
291.19690	31.5
292.20111	3.0
307.19189	50.7
308.19437	5.1
309.20755	92.8
310.21152	8.2
311.22211	1.2
312.92188	0.8
319.22385	1.3
325.20285	1.1
525.27399	4.7
527.28656	3.3
545.29706	5.0
581.38580	2.0
742.25146	0.8
766.41919	1.1
817.47345	5.3
818.47577	1.5
835.48083	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	835.486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.8
60.95182	0.7
61.98864	4.1
69.03461	0.9
71.01392	8.8
73.02940	1.5
80.96521	0.8
81.03481	1.2
81.87502	0.8
83.01392	2.0
83.05036	1.2
85.02957	1.8
87.00883	2.4
87.95989	0.8
89.02457	4.5
95.01415	1.4
95.05069	1.3
96.96035	2.1
97.02978	1.9
97.06610	4.2
98.21819	2.7
99.00894	1.1
101.02446	6.5
109.06607	2.0
111.08174	1.7
113.02467	3.3
113.09708	1.0
119.03506	0.9
121.06588	0.9
123.04510	2.8
123.08173	2.0
125.02460	0.9
125.06164	1.0
125.09766	5.3
135.08189	1.0
137.09795	2.0
141.09225	1.5
143.03432	1.3
143.07146	0.9
145.05092	2.0
161.04594	2.7
163.11296	5.0
165.12888	5.7
167.14409	1.2
169.12337	0.9
171.10289	1.2
181.12393	1.9
185.11836	7.1
191.10803	1.4
191.14421	5.9
193.12444	2.1
194.03226	1.0
195.13910	2.5
197.11903	2.3
207.10359	3.0
207.13907	1.1
209.11873	15.9
210.12134	0.9
211.13435	5.3
221.15514	2.1
223.46364	0.8
225.11305	2.1
227.12793	1.6
235.08148	4.8
237.11337	2.0
245.19127	11.6
246.19582	1.1
247.20651	3.2
253.09291	14.3
263.20117	4.2
271.17169	1.5
273.18637	1.3
281.21243	2.7
289.18118	43.8
290.18433	5.2
291.19684	35.3
292.20035	4.0
307.19177	45.2
308.19431	4.5
309.20749	100.0
310.21112	10.2
310.24417	1.3
315.19757	1.7
331.22690	1.3
352.30698	0.8
359.22269	1.0
403.33655	0.9
483.31116	2.1
501.32425	1.9
525.27203	0.9
527.29022	1.4
543.28546	1.1
545.29755	7.9
546.29883	1.5
559.95844	1.0
581.38788	1.4
599.39648	4.6
600.39893	1.7
609.33740	0.9
617.40417	2.4
719.39935	3.1
737.40839	4.0
817.47241	1.8
835.49591	6.9
836.48303	3.5
856.65558	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	835.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.6
61.98849	18.8
64.67407	2.4
69.47501	16.2
70.48872	2.3
71.01376	10.1
81.03445	2.8
85.02936	3.4
89.02467	4.7
92.92775	3.1
101.02447	9.3
109.06593	2.9
111.08178	2.8
125.09748	7.6
142.39996	2.1
145.76672	2.2
155.10797	2.4
161.04562	2.5
163.11232	5.6
165.12819	5.3
171.10367	3.1
179.10831	3.1
181.12352	4.0
185.11824	7.3
191.14473	5.6
195.13791	2.9
197.11833	7.4
207.10292	2.5
209.11885	16.2
211.13351	2.4
227.12917	3.1
235.08192	8.0
245.19119	10.1
247.20621	5.5
253.09329	18.1
263.20120	4.8
271.17099	3.2
273.18753	3.5
287.16464	2.9
289.18170	54.6
290.18393	5.5
291.19681	56.2
292.20105	5.1
293.21310	9.7
305.17633	6.9
307.19189	87.8
307.75122	2.6
308.19461	10.2
309.20767	100.0
310.21140	11.7
378.96478	2.6
423.91043	2.6
450.29718	2.5
527.29126	2.8
532.31000	2.8
543.28076	12.3
545.30182	5.3
673.50159	2.5
723.22559	2.6
817.47443	6.0
835.48450	9.3
836.48230	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	837.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
61.81327	0.5
65.03947	0.7
85.02956	1.5
87.67204	0.5
91.05553	0.7
93.03482	0.7
99.00889	1.3
105.03455	0.9
105.07101	0.7
107.05029	1.9
111.00847	0.5
115.05515	0.5
117.03442	1.0
119.05027	2.1
121.02968	2.1
121.06601	2.9
122.02142	0.6
123.00899	1.2
123.04529	0.9
125.02452	6.9
131.05038	2.0
133.06607	7.0
135.04532	4.0
137.02435	1.9
139.55681	0.5
143.05019	0.9
145.02965	4.0
146.03705	1.1
147.04518	0.9
149.02408	4.9
149.06120	2.9
151.04022	6.4
159.04527	6.2
160.05182	1.6
161.02403	1.2
161.06084	11.8
162.03232	3.6
162.06436	0.9
163.04015	18.5
164.01112	1.2
164.04364	1.2
165.01965	1.7
169.01408	5.2
173.02426	0.9
175.04007	2.3
177.01895	1.9
177.05573	5.8
182.74313	0.5
185.02470	1.0
187.04007	9.9
188.04358	0.8
189.02028	0.7
190.02710	4.7
191.01871	0.8
191.03471	1.9
193.01421	20.0
193.03200	1.1
194.01776	1.4
201.01895	1.0
203.03545	4.7
204.04051	1.0
205.05064	27.1
206.05438	1.7
211.02486	1.8
219.03018	1.4
221.04573	1.4
229.01424	1.9
231.02979	3.0
233.00919	1.3
237.00380	1.9
245.00844	0.8
247.02402	1.1
249.04054	19.9
250.04350	1.3
257.00928	2.5
258.01511	0.6
271.04559	0.9
275.02051	9.6
293.03082	4.8
300.99896	13.9
302.00159	1.1
313.05530	1.1
319.01025	1.1
337.02026	100.0
338.02332	10.0
339.02609	1.3
455.71750	0.6
481.05875	1.3
481.72644	0.6
483.07761	11.4
484.08228	1.7
757.08893	1.0
758.08917	0.6
783.07227	1.3
784.07825	0.7
801.08160	2.8
802.07593	1.2
819.09088	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	837.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
65.00320	1.0
67.01914	1.0
70.61214	2.1
71.01410	0.9
91.05538	1.5
99.00871	1.4
105.03467	2.0
105.07117	0.9
107.05046	3.0
109.02980	0.9
111.00874	1.3
117.03506	1.7
118.71925	0.9
119.05034	4.0
120.21395	0.8
121.03003	2.1
121.06565	5.4
123.00952	1.3
123.04539	3.0
124.43555	1.0
125.02470	2.6
131.05066	1.6
133.06609	9.8
135.04550	7.3
137.02457	3.3
143.05107	1.4
145.03001	6.5
146.03731	1.6
147.04520	1.9
149.02426	7.1
149.06073	3.0
151.04025	10.2
152.33389	0.9
159.04509	9.8
160.05280	1.9
161.02499	2.2
161.06102	19.9
162.03247	3.9
163.04028	34.3
164.04419	1.5
165.01926	3.6
169.01439	1.4
175.04041	4.3
177.01967	2.7
177.05576	8.2
187.04041	13.9
190.02740	7.2
191.03490	2.7
193.01433	29.6
194.01796	1.5
201.01978	2.6
203.03534	10.4
203.21164	1.1
205.05072	42.2
206.05341	1.6
210.62221	1.0
213.01949	1.2
219.03130	1.7
221.04539	1.9
229.01529	4.9
231.03004	7.3
233.00899	1.9
237.00458	4.3
245.00906	1.8
247.02493	2.4
249.04045	22.5
250.04424	1.6
257.00952	4.9
258.01758	1.7
275.01974	22.3
276.02341	2.0
291.01468	1.2
293.03140	6.0
300.99930	30.4
302.00327	2.8
303.00601	1.1
319.00952	1.5
337.02029	100.0
338.02390	9.2
481.06290	13.9
482.06393	2.1
647.70197	0.9
783.06799	2.3
801.07794	2.4
819.08008	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	837.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	11.8
63.03244	3.0
68.99816	16.2
75.45341	3.9
76.16592	3.3
79.84389	3.0
95.01392	4.6
96.96027	4.6
108.02177	7.7
109.02967	11.8
117.03513	8.8
119.05014	4.6
121.03006	6.6
122.03756	13.9
123.00896	11.7
124.01653	4.2
125.02475	10.9
127.95594	3.2
136.01595	4.3
137.02498	8.8
138.03235	26.2
145.02937	20.8
149.02470	22.4
150.03238	73.2
151.04047	8.5
153.01988	11.6
153.05573	39.6
164.04790	6.0
165.01974	9.7
165.05573	66.7
166.02701	5.2
168.04300	32.9
175.00346	14.2
176.01144	28.9
177.01929	21.5
178.02740	14.7
179.03459	4.9
179.07132	23.4
180.04309	11.3
181.05049	7.6
184.17390	3.9
191.03555	27.3
192.04266	41.5
193.01414	25.8
193.04974	20.7
195.06630	30.4
207.06636	46.2
208.03783	27.5
209.04596	5.4
223.06140	100.0
223.08327	5.9
224.06551	8.9
225.07819	4.3
640.21289	10.9
641.22229	16.1
664.67816	4.9
771.29022	15.1
772.29932	6.0
837.29822	32.6
838.29852	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	837.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47839	1.4
61.98835	11.3
65.80316	1.3
68.83267	1.2
68.99830	16.2
70.01169	6.1
87.57533	1.5
95.01402	5.1
97.02962	1.8
105.03420	1.5
108.02161	2.4
109.02962	5.0
117.03506	2.0
120.02175	1.4
121.02966	6.5
122.03745	6.6
123.00907	13.9
123.04532	1.5
124.01685	2.6
125.02458	10.9
133.02902	1.7
134.03757	2.2
136.01680	2.3
137.02438	10.0
137.99614	1.5
138.03232	25.2
139.04063	6.8
145.02998	6.4
146.03708	1.6
147.00919	2.3
149.02448	15.9
150.03253	42.1
151.00423	3.0
151.04030	8.7
153.01970	9.6
153.05595	40.4
160.01505	1.6
161.02481	3.2
162.03262	2.7
163.00406	2.8
163.04033	3.1
164.04858	4.3
165.01929	13.4
165.05577	35.7
165.13528	1.3
166.02698	5.8
166.05928	1.8
168.04300	31.9
175.00392	9.4
176.01170	29.6
177.01958	23.2
177.05629	3.4
178.02771	16.7
179.03514	3.1
179.07149	16.4
180.04265	8.5
181.05052	11.2
191.03505	26.6
192.04282	43.5
193.01436	21.5
193.05089	15.5
195.06619	16.6
205.05070	3.2
207.06654	46.7
208.03783	32.9
208.06873	2.3
209.04501	5.2
219.06702	2.1
223.06134	100.0
224.06461	8.6
225.07726	2.9
238.04834	1.6
282.18161	1.7
283.76260	1.9
347.11404	1.5
368.21295	1.6
417.15405	2.6
463.38675	1.6
466.55856	1.6
565.20789	3.3
610.21112	1.8
611.21515	2.2
623.22211	1.6
640.21881	16.2
641.22595	11.4
642.22571	2.6
789.27631	2.0
807.30084	1.8
819.28528	3.1
837.29962	25.4
838.28955	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	837.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98845	3.4
69.64861	5.2
69.65263	10.4
71.01392	3.8
74.40603	2.7
85.77461	2.7
123.61564	2.7
145.66962	2.4
163.11331	3.2
165.12878	4.6
209.11938	5.6
209.60617	2.2
223.13277	2.9
224.30450	2.4
225.69781	2.4
246.53587	2.4
247.20676	8.9
253.09351	9.6
273.18784	4.1
291.19702	85.9
291.22946	5.3
292.20105	8.4
293.21249	3.5
309.20767	100.0
310.21152	11.1
321.20526	2.8
353.42090	2.6
449.51166	2.6
544.74066	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	837.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	6.6
60.92348	3.1
78.95905	7.3
96.96027	8.3
98.21777	10.0
101.02473	3.6
113.09724	3.7
114.49454	3.2
181.12296	4.6
229.14790	3.2
247.20531	3.4
253.09348	6.1
273.18796	6.0
291.19678	41.0
309.20755	100.0
310.21124	11.2
369.56662	3.2
545.29492	16.5
695.38165	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	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.3
60.48737	0.2
69.03458	0.5
70.87130	0.5
71.01386	3.2
72.99333	0.3
73.02950	0.5
83.01453	0.3
83.05038	0.3
85.02979	1.0
87.00905	0.5
89.02451	1.9
93.03509	0.4
95.01422	0.4
95.05012	0.3
97.02984	0.4
97.06615	0.7
98.03748	0.3
100.01465	0.2
101.02464	2.4
111.08154	0.4
113.02441	1.3
113.09743	1.1
115.07616	0.3
119.03548	0.5
123.04587	0.3
123.08182	0.5
125.09747	0.3
127.07640	0.3
128.97340	0.2
129.01959	0.3
139.44005	0.2
141.09258	0.6
143.03589	0.3
145.03500	0.3
145.05096	0.5
153.12848	0.4
161.04526	1.2
163.11305	1.2
165.12862	3.7
167.10768	0.4
167.14439	1.0
171.10313	1.0
179.05646	0.5
179.14473	0.9
181.12378	2.0
183.13951	0.4
191.14493	0.3
193.12376	0.7
193.16010	1.0
195.13945	0.9
197.11858	0.5
198.02109	0.3
209.11852	0.5
209.66081	0.3
211.13412	1.3
217.16058	0.3
218.10678	0.3
219.17513	0.3
221.15457	1.6
223.13394	0.9
235.08281	1.4
240.13766	0.5
245.19125	0.4
247.20674	3.6
253.09326	7.3
254.09691	0.5
273.18689	2.1
281.21289	0.8
291.19684	41.4
292.20020	4.1
309.20731	100.0
310.21078	10.5
311.22153	0.3
318.54132	0.2
328.70520	0.3
373.70215	0.2
396.31613	0.3
402.21463	0.3
418.72864	0.3
429.30261	0.3
527.28693	1.8
545.29718	11.0
546.29987	1.5
768.42755	0.4
819.48920	0.5
837.50201	1.6
838.50208	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	837.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
59.03267	0.2
61.98832	0.8
68.99576	0.6
69.03446	0.6
71.01392	4.0
72.30335	0.2
72.99304	0.3
73.02941	0.6
75.00212	0.3
81.43135	0.2
83.01417	0.5
83.05006	0.3
85.02957	1.1
87.00873	0.8
89.02443	2.6
95.01395	0.4
95.05012	0.3
96.95997	0.3
97.02963	0.7
97.06593	1.1
99.00878	0.4
101.02453	3.6
109.06595	0.6
111.00873	0.3
111.08170	4.4
112.08543	0.3
112.98548	0.8
113.02457	1.8
113.09739	0.7
115.07667	0.5
119.03511	0.8
123.04486	0.2
123.08180	0.3
125.02477	0.3
125.06097	0.5
125.09730	0.3
127.07611	0.5
133.05144	0.2
137.09660	0.3
139.11328	0.4
141.09239	0.6
143.03491	0.3
145.05075	0.7
146.40318	0.2
151.11319	0.6
153.09224	0.4
153.12843	1.3
155.10849	0.2
161.04573	1.5
162.10445	0.3
163.11295	0.9
164.71561	0.2
165.12840	2.7
167.10770	0.8
167.14397	0.8
169.12349	2.5
171.10313	0.4
179.05673	0.5
179.10840	0.4
179.14420	0.8
181.12370	2.8
183.13959	0.5
193.12352	0.6
193.15997	0.8
195.13895	1.4
197.11845	26.4
198.12173	1.7
199.13452	1.2
207.13931	0.6
209.11885	0.6
209.15404	0.4
211.13414	4.3
221.11827	0.3
221.15477	1.7
223.13377	0.7
226.21487	0.3
227.12897	0.9
228.92561	0.4
229.14388	0.4
229.19620	0.4
231.02110	0.2
235.08218	2.9
236.08585	0.3
245.19118	0.4
247.20728	4.1
248.20955	0.4
251.16496	0.4
253.09303	10.8
254.09564	0.6
263.20178	1.7
265.18143	0.7
265.21545	0.5
273.18616	2.7
274.18890	0.3
281.21280	0.7
291.19687	40.6
292.20044	4.7
293.21255	0.5
307.19260	0.4
309.20734	100.0
310.21075	10.0
311.22336	0.8
322.34088	0.3
527.28864	1.9
527.36115	0.4
528.29358	0.4
545.29724	7.4
546.30261	1.3
583.40649	0.4
601.40857	0.4
837.50104	1.8
838.50043	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	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.7
61.77085	0.7
61.98824	0.9
65.04383	0.8
69.81397	0.8
71.01386	5.2
85.02963	1.3
87.00903	0.9
89.02437	2.8
96.96018	1.8
97.06564	1.0
98.21720	1.5
101.02459	2.9
106.20889	0.8
111.08186	1.6
111.45891	0.7
113.02440	1.8
113.09730	1.6
115.07591	1.2
140.09503	0.7
141.09267	1.0
151.11316	1.6
153.12914	1.6
155.10822	1.1
158.74106	0.7
161.04555	1.8
165.12862	2.5
167.10800	1.7
167.14378	1.4
179.14369	1.2
181.12357	6.4
183.13951	0.9
193.12297	1.0
195.13853	1.4
197.11856	1.5
201.11320	1.1
211.13457	2.4
221.15479	1.7
230.96422	0.9
235.08253	3.3
241.14523	1.5
247.20676	5.8
253.09311	6.5
265.21796	1.7
273.18726	2.6
281.21127	2.2
289.18036	1.0
291.19687	39.2
292.20135	3.9
307.19238	1.5
309.20734	100.0
310.21072	10.9
311.22272	2.4
527.28326	1.7
545.29688	13.4
546.30145	3.6
768.43512	1.2
837.49268	4.0
838.50098	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	839.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.1
68.07917	0.9
69.51966	5.3
71.01379	3.4
75.00889	1.0
76.48283	1.1
76.79928	0.9
79.83430	1.0
83.01381	1.7
84.02174	1.8
85.02956	77.2
86.03280	2.2
87.00906	1.1
95.56314	0.8
96.46257	1.1
98.21818	1.4
101.02443	1.6
107.01392	2.5
111.00909	1.7
113.02473	1.3
119.05040	2.0
123.00918	2.9
125.02460	52.2
126.02793	1.7
126.70216	0.8
127.00366	1.0
129.01952	5.2
136.98802	1.1
139.00330	1.9
140.01112	1.2
144.19916	0.9
147.02994	11.6
149.92705	0.9
151.00359	1.8
163.04010	1.6
168.00612	6.0
169.01439	56.2
170.01785	2.4
173.00922	1.4
176.95987	0.8
181.01424	1.0
181.56879	1.1
191.01993	36.0
193.01427	5.2
209.03043	11.9
211.02492	21.5
212.02812	2.3
223.55896	0.8
235.89861	1.1
241.03513	2.3
271.04587	20.6
287.07822	1.3
313.05771	7.1
327.53253	0.9
331.06677	5.0
337.05508	1.3
338.02359	1.1
355.06714	16.0
356.07117	2.3
423.05463	1.0
439.08966	8.7
440.09213	1.2
483.07846	100.0
484.08194	14.4
827.50842	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	839.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.9
71.01383	4.6
81.70165	1.0
84.27204	0.9
85.02960	42.1
96.96043	1.8
97.02963	1.6
101.02450	1.5
107.01411	4.4
113.02451	2.1
117.02761	0.9
119.05050	1.5
123.00938	2.9
125.02457	75.4
126.02814	2.3
129.02005	3.4
139.00414	2.0
147.03027	4.3
151.00383	2.2
151.04030	1.1
163.04001	2.7
168.00648	3.7
169.01440	100.0
170.01764	5.2
191.02005	17.6
191.03624	1.9
192.02263	1.5
193.01434	3.1
209.03044	12.9
211.02475	9.4
271.04529	7.8
275.01941	2.0
286.23059	1.1
301.00021	3.0
313.05731	6.6
331.06766	10.3
341.09250	2.5
355.06628	8.1
365.01825	2.6
439.08875	7.8
483.07861	82.7
484.08215	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	839.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
71.01398	1.6
71.27499	1.0
72.99307	0.9
83.01394	1.5
84.02182	2.7
85.02957	100.0
86.03297	2.8
87.00869	1.1
98.73444	0.6
103.00373	1.4
111.00889	0.8
125.02445	2.2
129.01956	9.3
134.03752	2.4
147.03012	16.4
169.01454	2.5
173.00877	2.1
183.56853	0.7
191.01991	63.1
192.02379	2.6
193.05106	2.1
209.03032	6.6
223.04640	1.5
318.36530	0.7
385.07813	18.9
386.08206	1.6
447.57056	0.8
453.10376	2.7
790.89264	0.7
833.34387	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	839.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.98836	100.0
64.84674	0.2
71.01385	0.6
71.27594	0.4
84.27267	0.3
87.00902	0.9
89.03996	0.6
93.03489	0.4
101.02463	0.7
104.02661	0.2
113.02427	0.4
117.03479	25.1
118.03800	1.2
119.05040	8.7
119.15762	0.3
121.03009	0.3
123.00921	0.4
125.02468	0.5
132.02188	9.3
133.03009	1.5
133.74493	0.2
134.03763	10.8
135.04636	1.4
137.02441	0.7
139.06554	0.3
145.02969	57.9
146.03297	3.3
147.04536	0.5
149.02374	0.3
149.06096	1.8
150.03233	0.6
151.04095	0.4
153.05547	0.5
159.04480	0.3
160.01675	29.2
161.02460	3.7
161.05998	0.4
162.03018	0.4
163.04028	5.0
164.04419	0.3
164.26007	0.2
165.01970	0.7
165.05501	0.5
168.04263	0.3
169.01425	0.4
173.06125	0.7
175.04018	30.8
176.04546	1.9
177.01952	0.5
177.05437	0.4
178.02727	1.6
179.03526	1.3
180.04187	0.2
187.03972	0.5
191.07089	1.4
192.04359	0.5
193.01515	0.4
193.05077	8.6
194.05429	0.5
200.12529	0.2
207.06656	1.2
208.03746	0.3
217.05066	1.0
220.03848	0.2
223.06189	0.7
235.06140	3.1
247.06093	0.3
265.07172	1.7
289.07193	0.3
295.08191	1.5
307.08292	0.7
319.08414	0.4
323.07739	0.3
337.09207	0.8
355.10287	0.4
483.12964	3.1
484.13284	0.4
499.14346	0.7
517.15564	0.9
645.18396	1.2
663.08722	0.4
663.19330	5.3
664.19958	1.2
675.19281	1.3
693.20343	4.9
694.20325	0.9
777.22125	1.1
839.24036	6.3
840.24017	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	839.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	5.4
64.46490	0.8
69.91296	1.2
69.91647	3.3
71.01355	1.5
75.25118	0.8
93.03436	1.4
110.02350	0.8
117.03485	27.9
118.03818	0.8
119.05030	7.4
121.03001	1.1
122.03782	1.9
125.02414	1.2
132.02190	29.9
133.03062	1.9
134.03741	9.5
136.01590	0.8
137.02460	2.5
145.02971	78.1
146.03287	3.8
149.02452	3.0
149.06084	2.6
150.03255	11.4
151.00351	0.8
151.03957	2.2
160.01678	90.4
161.02211	6.6
163.04050	5.4
165.01950	11.3
165.05597	11.3
166.02676	1.7
169.01419	1.0
175.04019	100.0
176.04358	6.4
178.02647	1.8
179.03479	3.5
180.04279	7.8
181.05110	1.9
191.07161	0.9
193.05095	10.3
195.06653	13.6
210.05264	1.7
211.05763	0.9
217.05052	3.0
225.07733	7.9
235.06174	1.0
265.07300	0.9
319.08221	1.2
337.09406	1.0
417.15564	3.0
483.13199	3.7
499.14655	2.1
517.15692	3.0
565.21222	1.3
595.21820	1.4
597.76770	0.9
645.18024	5.7
663.19360	21.4
664.19458	4.9
693.20630	3.8
839.24060	16.7
840.24670	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	840.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74265	1.5
70.02966	3.1
71.26809	1.6
72.00932	1.6
74.96217	1.5
87.00878	1.8
91.05537	1.6
95.01421	1.5
97.75997	1.2
107.05083	1.5
108.02192	3.0
109.02957	6.3
117.03467	3.8
119.05028	1.8
121.02946	2.3
123.00832	1.9
125.02461	2.4
125.15562	1.5
133.02962	3.3
135.04573	2.3
137.02412	1.6
145.02979	7.4
147.00967	1.3
147.04552	21.1
149.02437	1.5
161.02484	9.3
162.03267	1.3
163.00349	2.9
163.04028	3.3
164.07170	48.7
165.07582	3.0
173.02449	5.2
175.04082	2.9
176.01186	1.6
189.01988	11.6
190.02681	5.6
191.03542	21.0
192.03856	1.8
201.01974	7.1
203.03568	2.4
205.01447	3.2
206.08237	100.0
207.08583	6.7
216.00714	1.6
217.01439	25.3
218.01981	3.1
219.02937	5.0
226.99866	1.9
229.01274	6.7
235.02635	2.9
245.00908	25.9
246.01508	4.0
247.02425	13.3
257.00937	1.9
270.98965	4.7
273.00430	54.7
274.00735	4.2
275.02103	2.9
296.74954	1.5
298.98343	6.4
300.99838	5.6
301.99997	1.8
342.83334	1.5
391.81146	1.4
489.10065	7.2
517.09955	8.4
518.10437	2.4
527.08411	3.9
543.07654	3.8
545.09448	75.3
546.09949	15.7
571.07214	17.7
572.07239	1.7
589.08350	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	841.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58850	2.1
68.98025	4.7
68.98348	23.4
71.01392	3.6
74.27126	2.3
85.02963	3.7
85.14807	2.1
104.99400	2.3
107.01389	5.1
115.07684	7.6
123.00908	3.7
125.02463	68.4
126.02816	2.9
129.05618	6.6
143.07159	2.6
158.13831	2.2
169.01439	100.0
170.01793	4.0
205.07169	5.7
207.94142	1.9
211.02478	9.2
271.04611	5.0
295.04636	4.6
313.05655	12.4
345.97488	2.5
465.06741	20.1
466.07471	3.4
483.07953	2.9
556.32513	2.0
594.71942	2.7
635.08954	69.9
636.09106	15.4
709.31470	2.3
723.22485	2.3
759.10321	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	841.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	15.3
61.98829	29.8
69.07581	47.9
69.07989	13.5
71.01376	8.8
91.10954	7.0
92.85554	7.7
96.96020	10.9
105.13128	6.4
116.92867	37.8
126.25053	8.4
138.50348	7.0
156.81116	7.6
169.01372	9.3
170.94279	7.6
171.10272	24.3
201.11349	16.0
203.62766	8.1
209.11879	100.0
227.12877	24.0
233.43111	7.3
235.08258	14.1
253.09312	28.1
301.00076	15.1
307.19284	11.8
309.20908	7.4
327.21805	67.0
445.21088	11.4
548.72614	8.3
563.30786	12.5
625.43701	7.4
684.34119	8.5
718.70648	7.6
841.43323	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26804	58.8
71.27412	100.0
78.95921	62.5
93.76054	61.3
96.95986	61.9
277.21686	64.5
374.51682	80.5
793.33447	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22275	32.3
69.22674	100.0
74.21325	17.2
121.32062	20.4
129.83481	17.5
139.83269	15.9
189.00987	19.6
205.50928	15.4
245.58879	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	842.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.35698	0.2
63.21503	0.2
71.01406	0.2
85.02957	0.2
98.22593	0.6
117.03484	15.8
118.03816	0.8
119.05045	3.5
145.02969	52.1
146.03308	2.8
163.04033	3.6
164.04376	0.2
173.06082	0.3
187.03989	0.3
205.05104	0.2
217.04944	0.3
235.06161	0.2
260.07938	0.2
284.06985	0.2
289.07040	0.3
307.08337	0.4
453.11807	0.5
487.14340	0.6
615.17010	0.4
633.18188	7.3
634.18457	1.1
707.63373	0.2
779.22003	16.9
780.22241	4.9
808.08105	0.2
813.38049	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	842.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98839	100.0
62.98559	0.2
63.12935	0.2
64.73486	0.2
71.26388	0.3
72.92690	0.2
89.69439	0.2
96.27496	0.2
117.03482	8.2
117.04295	0.5
118.03845	0.4
119.05052	1.9
125.02495	0.4
145.02977	24.3
146.03304	1.3
163.04060	1.5
187.04063	0.3
213.49271	0.2
247.00310	0.2
293.34311	0.2
307.08417	0.3
344.11804	0.2
357.94312	0.3
453.12128	0.5
487.14737	0.3
615.17316	0.3
633.18359	4.2
633.28076	0.5
634.18683	0.8
656.13916	0.3
779.21985	6.2
780.22314	1.4
803.30762	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	842.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
72.99490	0.5
92.90572	0.7
98.22633	0.9
116.92896	0.9
117.03477	9.2
118.03818	0.5
119.05067	1.6
125.02464	0.8
145.02969	27.4
146.03362	2.2
150.03238	0.5
160.01697	1.1
163.04100	2.0
169.01620	0.6
175.04013	0.6
229.71661	0.7
231.73589	0.5
291.35895	0.6
540.35693	0.6
605.43469	0.5
633.18634	3.6
707.78333	0.6
779.21838	5.1
780.22870	1.4
804.00751	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	843.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13909	4.1
61.77594	4.6
65.00336	5.9
71.27135	9.8
71.74699	4.8
94.85471	4.7
100.88932	5.3
117.03456	13.9
129.03488	5.3
131.01392	5.9
133.02960	7.4
135.51033	4.4
145.03015	26.8
147.00908	11.5
147.04546	11.5
157.02985	9.4
159.00896	4.9
159.04465	5.1
161.02406	26.5
163.04027	16.4
165.39542	4.6
169.81039	4.5
171.00999	9.5
173.02437	22.6
174.37436	4.6
175.04007	11.6
177.01941	16.9
187.00388	24.7
188.01125	9.3
189.01932	29.1
190.02777	6.9
191.00043	6.3
191.03473	20.2
199.00389	17.7
200.01027	8.1
201.01929	23.6
203.03525	10.2
214.99904	40.2
216.00587	17.4
217.01443	40.8
219.02948	8.3
226.99889	22.5
229.01465	33.8
230.02243	6.4
231.02988	18.9
242.99361	29.3
244.00035	7.8
245.00891	75.1
247.02480	34.6
249.04057	5.3
254.99358	7.7
257.00858	6.6
258.98862	10.5
261.00281	16.1
263.01984	13.3
270.98859	90.3
271.98978	7.6
273.00427	100.0
274.00735	11.1
275.01901	27.0
286.98312	20.9
291.01505	49.6
298.98395	98.0
299.98935	28.7
300.99887	57.3
302.00089	5.4
303.01587	27.2
316.99481	13.8
317.99966	5.5
349.02197	6.5
362.56989	6.0
443.02335	7.9
461.03705	8.4
500.18210	5.3
733.03375	8.4
751.03479	6.1
793.05029	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.2
65.00334	3.1
71.25194	1.1
89.03990	2.2
93.03502	1.4
95.01417	2.6
101.03960	1.8
103.95076	1.3
105.03470	1.3
109.02939	1.8
111.00922	1.2
115.01897	1.6
117.03493	9.5
119.05051	2.8
121.02950	1.6
123.00903	5.5
125.02456	4.5
129.03485	3.0
130.04257	2.4
131.01425	2.1
133.02942	7.6
135.04518	4.2
142.37349	1.3
143.01370	3.0
145.02968	29.6
147.00906	2.4
147.04588	6.2
148.01596	1.4
149.02461	4.3
150.58565	1.3
151.00412	2.2
157.02946	4.6
159.00951	3.3
159.04521	3.8
160.01701	3.0
161.02461	22.0
162.03123	2.3
163.00424	2.7
163.04027	11.2
169.01498	5.8
171.00891	6.7
172.01669	2.4
173.02443	24.6
174.03122	3.6
175.04033	7.0
176.01103	1.2
177.01955	11.3
178.99878	4.1
179.03505	3.1
185.02464	5.1
187.00406	5.9
188.01134	1.5
189.01961	28.9
190.02690	12.5
191.03494	15.3
193.01427	1.5
199.00342	6.0
200.01135	3.2
201.01968	20.8
202.02446	3.4
203.03503	11.4
205.01442	3.5
207.02977	1.9
209.00900	1.3
214.99937	9.8
215.03659	1.2
216.00613	7.7
217.01428	41.8
218.02003	5.3
218.99464	1.7
219.02998	8.1
221.00957	1.4
226.99829	9.4
228.00529	4.3
229.01439	24.5
230.01927	2.6
231.02997	5.1
233.00877	2.8
233.04523	2.0
235.02547	1.7
242.99399	11.6
243.03110	1.9
244.00172	8.1
245.00925	80.7
246.01392	8.0
247.02490	24.0
248.02985	3.1
249.04095	7.2
254.99353	5.1
255.03142	1.6
257.00919	4.3
258.01721	1.6
259.02451	1.7
259.99673	3.2
261.00375	9.4
261.04065	2.8
263.01868	2.5
270.98886	51.5
271.01944	2.4
271.99271	6.4
273.00427	100.0
274.00867	9.6
275.01959	16.1
277.03635	3.5
279.05231	3.0
283.99731	2.3
286.98419	4.2
287.01978	2.5
288.99936	14.9
290.00592	2.8
291.01477	52.6
292.01978	5.7
298.98355	55.5
299.98984	13.5
300.99921	53.0
302.00262	4.2
303.01538	4.4
305.03104	12.6
306.03912	1.3
316.99374	8.6
323.03998	3.2
331.01083	5.9
349.02066	17.0
350.02368	1.4
373.80411	1.3
391.03195	1.3
405.04730	1.6
417.04733	1.4
431.02487	4.9
433.04349	5.7
443.02527	4.8
443.39395	1.3
461.03683	8.0
493.06363	2.7
591.25800	1.5
656.61371	1.4
689.04559	1.6
733.03162	1.8
761.02679	1.5
767.07806	2.1
779.03192	1.8
793.05157	9.8
794.05847	2.7
811.06171	3.1
843.08325	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	843.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.5
65.00344	1.0
67.01887	0.7
68.99804	1.8
69.30072	5.3
69.99191	0.7
71.01392	2.4
72.99322	0.8
75.00879	1.4
78.44910	0.7
83.01395	5.2
84.02162	2.3
85.02956	100.0
86.03309	2.1
87.00900	0.9
103.00378	1.7
109.02946	1.3
111.00908	2.6
115.00349	1.3
122.03757	1.6
123.00896	5.8
123.04530	17.1
125.02455	20.9
127.06945	0.6
129.01956	7.8
134.03761	3.1
135.04546	4.6
137.02451	1.6
147.03009	13.3
149.02449	2.1
150.03233	2.1
151.00372	11.7
151.04019	47.1
152.04343	2.0
153.01947	48.8
154.02303	1.7
161.02481	2.8
164.01123	0.8
169.01421	12.1
173.00969	1.3
174.01747	0.9
175.14021	0.8
178.42671	0.8
179.03476	3.4
183.02953	1.3
191.01985	53.2
192.02371	2.3
193.05049	1.2
206.86536	0.7
209.03040	7.4
213.59860	0.7
223.04594	9.9
248.50687	0.8
257.04593	2.2
275.05481	1.4
287.05569	4.3
300.99829	1.2
303.05124	42.8
304.05307	3.4
305.06766	1.0
385.07642	16.3
385.11560	2.0
386.07968	1.9
457.07788	30.0
458.08176	4.9
478.26892	0.8
767.66211	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	843.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77834	2.1
68.99822	2.0
69.03446	2.8
71.01379	4.3
71.27236	3.6
77.34019	2.2
83.01422	4.5
83.46657	2.2
95.01414	6.0
96.96042	3.6
105.01511	2.5
107.01418	12.7
111.00896	5.2
113.02515	2.6
121.02989	2.7
123.00903	37.6
123.04491	3.4
124.01625	2.2
125.02456	88.6
126.02836	3.8
127.00314	2.5
136.01654	4.6
136.98863	3.1
137.02496	5.6
139.00412	7.9
139.04100	2.7
140.01114	4.4
141.01936	4.3
149.02493	2.4
150.03241	14.1
151.00426	8.5
151.04004	15.3
162.03229	2.4
165.05595	9.2
166.99849	7.7
167.03642	2.7
168.00648	9.9
169.01442	100.0
170.01843	3.3
178.07738	2.3
180.04271	3.5
183.03004	9.1
195.06619	3.8
227.22379	2.6
235.34035	2.1
313.05685	32.6
317.06839	3.0
318.07446	5.7
331.08511	3.4
332.09055	31.4
333.09567	14.0
347.11441	5.6
356.74869	2.4
430.50571	2.3
434.79828	2.5
481.15497	4.1
493.15372	4.5
509.13193	3.9
529.17188	7.0
597.63763	2.7
691.22437	33.5
692.22662	7.6
843.23462	93.8
844.23810	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	5.3
82.58916	1.4
85.02944	2.6
89.03992	2.2
91.01918	3.2
93.03484	1.6
95.01404	3.8
95.05054	1.4
98.22314	8.9
99.00869	2.2
101.03996	1.4
105.03451	1.8
109.02964	5.6
111.00900	1.6
117.03527	7.4
117.63406	1.4
119.01390	2.2
119.05061	3.7
120.02261	1.4
121.02934	2.1
123.00896	5.9
124.01671	1.6
125.02461	7.1
126.60043	1.6
129.03467	2.8
133.02957	5.2
135.00928	1.3
135.04559	2.2
135.49017	1.5
137.02473	7.6
145.02937	14.3
146.03720	1.8
147.00854	4.2
147.04553	7.6
149.02467	9.4
151.00349	1.7
151.04057	2.3
157.02945	5.0
159.04506	4.6
160.01602	1.9
161.02460	14.5
161.99603	2.2
162.03139	2.6
163.00374	12.6
163.04034	9.1
164.01152	2.8
165.01942	5.3
169.01424	3.3
171.00900	3.7
172.01691	2.5
173.02434	14.4
174.03127	2.8
175.00360	2.8
175.04059	11.1
176.01109	3.4
177.01952	13.0
178.99884	2.4
179.03476	4.0
185.02452	6.3
187.03993	5.4
189.01968	14.1
190.02644	4.8
190.99855	4.1
191.03519	16.3
192.00725	3.6
193.01451	5.4
199.00394	4.0
200.01125	5.8
201.01941	21.0
202.02518	2.2
203.03516	20.3
205.01465	5.2
205.05072	5.2
207.02983	5.9
213.01897	2.3
214.99901	3.2
216.00691	2.7
217.01463	23.7
218.01767	2.0
218.99413	2.5
219.03038	9.1
221.00926	6.3
221.04539	2.1
226.99879	4.7
228.00558	3.3
229.01440	27.3
230.02036	6.4
231.03035	21.0
232.00108	2.9
233.98053	5.5
235.02425	2.6
237.00398	2.6
242.99348	4.6
244.00122	4.1
245.00937	27.9
246.01591	5.5
247.02531	23.4
248.03064	4.5
249.00410	8.7
249.04071	16.9
250.04514	1.8
251.01962	10.8
251.05644	2.0
252.02165	1.5
254.99188	2.1
255.09044	1.7
257.01004	12.6
258.01770	2.4
259.02560	2.5
261.00363	3.7
261.04062	4.5
263.01990	4.0
270.98898	17.1
271.99484	2.3
273.00427	41.9
274.01056	5.2
275.01978	35.6
276.02307	3.4
279.05133	2.1
283.99716	2.8
288.99857	1.6
289.03601	3.0
290.00708	1.6
291.01520	11.4
293.03131	2.1
298.98361	29.7
299.99017	8.8
300.99933	100.0
302.00311	8.5
305.03098	4.8
307.04514	4.3
316.99484	3.9
337.06012	2.9
349.02173	1.9
351.03534	7.0
363.03598	6.3
365.05121	29.9
366.05435	2.9
391.02725	1.6
401.01425	3.7
417.04541	5.3
419.02325	2.2
435.05728	1.7
451.05417	3.5
461.03659	54.4
462.03983	7.7
463.05124	7.0
479.04678	8.6
480.04837	1.7
543.09808	1.9
686.28058	1.6
739.08594	1.9
757.08282	2.7
795.06818	2.8
813.07190	1.6
827.09558	3.3
845.10950	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	845.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32432	1.8
65.00318	2.9
66.92787	1.9
69.82786	10.2
76.69392	2.1
91.01886	2.6
95.01400	2.6
101.03990	3.2
106.23457	2.1
115.01879	2.2
117.03491	8.8
118.66291	1.9
119.05049	7.4
121.02991	2.8
123.00906	3.9
125.02441	4.2
128.08217	2.0
129.03496	5.9
131.01483	2.2
133.02943	9.2
135.04559	2.4
137.02475	4.9
145.02994	25.2
147.04594	11.4
149.02411	2.7
157.02965	14.6
159.00923	2.5
159.04549	4.3
161.02467	19.7
163.00368	11.4
163.04005	12.4
165.01936	4.9
169.01425	2.1
171.00880	14.6
172.01665	3.4
173.02469	25.4
174.03055	2.7
175.04037	18.0
177.01962	11.2
185.02495	8.8
186.62080	2.7
187.00372	5.4
187.04060	3.9
188.01105	3.2
189.01968	20.8
190.02631	4.4
191.03540	25.5
192.03860	3.0
193.01385	4.1
199.00383	15.8
200.01180	8.2
201.01964	32.7
202.02505	3.7
203.00049	2.6
203.03526	20.4
204.03903	2.5
209.00977	2.8
213.01999	2.4
214.99886	7.4
215.03642	2.2
217.01462	26.3
218.01761	2.7
219.03064	11.9
226.99886	20.7
228.00513	6.4
229.01430	43.5
229.03568	3.1
230.02078	11.3
231.03027	26.4
232.03427	2.3
233.00842	3.6
235.02412	3.3
242.78813	2.3
242.99344	16.0
244.00121	5.3
245.00958	47.1
246.01668	3.2
247.02510	37.3
249.04083	16.1
254.99477	6.3
257.00931	20.7
258.01700	6.2
261.00360	10.3
263.02087	7.5
270.98886	35.1
271.99512	4.0
273.00446	84.4
274.00928	7.6
275.02008	86.9
276.02490	4.6
283.99780	3.8
288.99936	3.0
291.01447	14.2
298.98373	66.8
299.98959	19.5
300.99945	100.0
302.00174	10.1
307.04532	3.7
315.01492	2.2
316.99399	5.0
319.01028	3.9
333.02563	2.7
399.03616	7.0
425.01590	2.9
427.02954	2.2
433.04312	2.7
443.02582	6.4
445.04266	2.9
461.03568	8.6
702.87213	2.3
735.04834	7.4
745.03143	14.2
746.05042	3.0
753.05389	9.3
763.04089	11.1
764.04980	2.4
777.05200	6.8
781.06049	3.0
795.06787	17.6
796.07617	3.5
827.08704	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	845.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	7.5
71.01386	3.9
71.74395	2.5
107.01377	8.8
109.02959	5.3
121.02950	8.6
125.02492	13.9
151.00377	30.4
152.00793	2.7
163.00290	4.1
169.01430	11.5
170.45824	2.6
177.01939	4.2
177.62920	2.4
178.99901	14.6
203.03433	3.1
207.18445	2.5
242.60480	2.5
255.03040	3.6
273.04077	2.8
301.00073	6.1
301.03534	100.0
302.03955	8.5
320.05643	2.8
332.39319	2.4
477.06766	61.1
478.07050	7.7
785.59711	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	845.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.3
67.01910	0.2
69.03470	0.9
71.30781	0.3
74.33315	0.2
76.42396	0.2
79.01936	0.3
81.03452	0.6
83.01395	0.6
84.14243	0.2
85.02966	0.5
93.03519	0.2
95.01414	0.6
95.05021	0.2
97.02972	1.3
105.03476	0.5
107.01422	0.6
109.02991	0.8
123.00932	0.6
124.01674	0.6
125.02460	58.8
126.02811	2.4
137.02478	1.7
139.04041	0.9
149.02440	0.3
151.04012	0.3
161.02448	4.3
162.02937	0.3
163.04025	0.4
164.01149	0.5
165.01904	1.1
166.99884	0.3
167.03528	1.3
169.01442	100.0
170.01787	4.7
177.02039	0.5
177.05551	0.6
179.03528	0.7
193.01398	1.9
201.01962	0.3
201.05650	0.4
203.03593	0.3
219.06587	0.9
221.04492	0.3
229.01419	0.7
231.03047	0.6
245.00876	0.5
261.07715	0.4
269.04523	0.8
273.00427	0.7
275.01996	0.6
276.02155	0.2
287.05634	1.6
298.98441	0.7
300.99832	0.9
305.06662	5.2
306.06979	0.3
319.04553	0.4
331.04697	1.9
372.02460	0.2
387.16745	0.5
405.29910	0.3
457.07806	12.2
458.08243	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	845.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
60.99309	17.3
61.98838	2.5
67.48493	0.7
70.82188	1.7
82.67397	0.6
87.00864	1.3
88.98817	100.0
89.02447	1.6
89.99160	0.9
104.94957	0.7
125.02442	1.4
169.01439	2.5
171.10298	0.8
209.11830	1.1
211.13350	1.0
245.00789	0.8
247.34575	0.8
275.01929	0.8
301.00085	1.1
309.20599	1.2
322.52481	0.8
468.04562	1.2
502.73953	0.9
555.19354	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	847.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
74.32563	0.5
75.93610	0.5
78.95901	0.6
85.02943	1.3
95.01398	1.3
98.22516	1.0
114.69683	0.5
117.03494	1.0
119.05028	1.4
122.73653	0.4
123.00929	2.2
123.20940	0.5
125.02460	1.9
129.03484	0.9
131.05029	1.0
131.91557	0.4
132.02141	0.6
133.03008	1.1
135.04457	0.5
137.02490	1.2
145.02991	2.4
147.04492	2.6
152.99551	0.6
157.02931	1.5
159.04501	1.8
159.18274	0.5
161.02467	1.2
163.00455	0.8
163.03995	2.0
164.01125	0.6
169.01427	0.9
173.02489	3.5
175.03998	3.6
177.01979	2.1
185.02452	4.5
186.02946	0.6
187.04105	1.0
189.01974	1.8
190.02760	1.1
191.02043	0.8
191.03493	3.7
199.00400	0.8
201.01964	6.8
202.02394	0.7
203.03539	8.5
205.01450	1.2
213.01868	1.7
214.02728	0.7
214.99858	0.5
217.01427	2.0
219.02953	2.2
221.04466	0.5
226.99983	0.8
228.00583	0.7
229.01437	15.0
230.01953	1.5
231.02975	7.8
245.00909	4.3
246.01610	0.6
247.02536	4.2
248.03139	0.6
249.04054	9.1
250.04330	1.0
254.99280	0.7
257.00940	12.7
258.01688	4.2
259.02304	0.8
273.00397	2.7
274.01254	1.4
275.02002	48.5
276.02335	2.9
283.99619	3.4
284.99835	0.5
291.01440	0.7
298.98291	0.5
299.99088	3.5
300.99927	100.0
302.00247	9.9
319.01001	1.1
333.05838	1.1
421.04355	0.5
463.05112	0.9
481.06317	1.5
783.06976	29.7
784.07159	7.7
815.09570	11.8
816.09583	2.5
847.12128	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	847.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.6
68.95821	7.0
70.42998	0.6
71.01351	0.6
93.46371	0.7
95.01366	1.6
103.03297	0.5
109.02957	1.2
111.00848	0.6
117.03483	0.8
118.09458	0.7
119.05035	1.3
121.02958	1.0
123.00915	3.8
125.02477	3.4
129.03448	1.4
131.04997	0.8
133.02969	0.7
136.93109	0.6
137.02469	3.7
145.02995	3.3
147.04599	3.2
147.05518	0.6
149.02402	0.7
157.02879	1.9
158.03709	0.7
159.04558	2.9
161.02420	2.2
163.00343	1.0
163.03989	2.3
165.01918	2.1
169.01425	1.2
173.02425	4.6
174.03181	1.2
175.04033	4.4
177.01927	2.7
185.02478	5.6
187.03986	1.6
189.01891	1.7
190.02737	1.3
191.03543	4.7
193.01407	3.2
200.01222	0.6
201.01939	7.9
202.02554	1.3
203.03506	11.2
205.01389	0.8
209.00862	1.0
213.01924	2.2
214.02721	1.0
216.00623	0.9
217.01453	3.4
218.02124	1.1
219.02995	3.7
229.01453	16.7
230.01915	1.9
231.03011	12.2
232.03300	0.7
237.00328	3.1
245.00894	5.8
246.01396	1.3
247.02525	8.0
249.04057	17.9
250.04327	1.6
257.00934	17.9
258.01550	4.3
273.00424	5.8
274.01056	1.5
275.01993	79.5
276.02347	6.5
283.99670	2.0
291.01599	1.2
298.98331	2.2
299.99075	1.9
300.99924	100.0
302.00229	9.1
307.04584	2.3
319.01028	1.0
333.02484	0.8
351.03445	0.9
419.06329	0.8
445.04163	1.3
463.05258	13.8
463.11426	1.1
464.05453	1.3
471.89688	0.7
481.06375	1.7
739.08197	1.6
782.45392	0.6
783.06848	6.4
784.06927	1.2
815.08795	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	847.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46600	3.1
69.47008	1.5
90.67587	0.7
95.01405	1.1
116.64452	0.6
117.03438	1.2
119.05035	1.1
121.02961	1.0
123.00895	1.9
125.02446	2.0
129.03441	0.9
131.04999	0.8
133.02963	0.9
137.02496	1.6
141.03561	0.7
145.02985	3.8
147.04521	2.8
149.02397	1.3
157.02969	1.2
159.04486	1.9
161.02400	2.0
163.00467	0.7
163.04005	2.3
165.01952	0.9
169.01506	0.7
173.02429	4.9
175.04004	4.2
177.01932	2.5
185.02451	5.0
187.04108	0.8
189.01947	2.7
190.02701	1.8
191.03487	5.9
193.01370	1.2
201.01958	6.6
203.03523	9.5
205.01352	1.0
213.01930	1.8
217.01421	2.9
218.02042	1.2
219.02956	3.1
221.04637	0.9
226.99788	1.2
228.00462	0.6
229.01440	15.4
230.02007	1.3
231.02995	7.8
232.03357	1.0
236.39227	0.7
245.00890	4.9
247.02480	6.7
249.04063	9.0
257.00912	13.3
258.01733	4.7
259.02133	0.7
261.00534	0.9
270.98996	0.8
273.00391	3.3
274.01181	2.4
275.01987	49.6
276.02328	4.7
283.99646	4.5
291.01492	1.2
293.03070	0.6
298.98312	2.0
299.99197	4.5
300.99918	100.0
302.00256	8.9
463.05157	3.4
481.06415	1.7
693.91205	0.6
783.06927	20.1
784.06982	5.2
814.94623	1.1
815.09509	15.8
816.09857	4.4
847.11285	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	847.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13187	3.5
69.13615	2.3
83.99742	0.7
87.22456	0.5
90.45999	0.6
95.01418	0.9
115.64253	0.6
117.03468	1.1
119.05025	0.8
123.00890	2.7
125.02454	2.4
133.02960	1.2
135.04517	0.6
135.64792	0.6
137.02463	1.7
145.02968	3.1
147.04541	3.0
157.02956	2.4
159.04543	2.2
161.02446	1.3
163.00346	0.7
163.04062	2.0
163.45181	0.6
165.01910	0.7
173.02461	4.6
175.04012	3.1
177.01947	2.1
185.02458	4.7
187.03979	1.4
189.01924	2.2
190.02788	1.2
191.03555	4.0
193.01389	1.5
201.01961	7.7
203.03514	7.8
204.03821	0.7
205.01450	1.1
213.01971	2.5
214.02649	0.8
217.01401	2.9
218.02196	0.8
219.02975	2.5
229.01447	14.3
230.01816	1.8
231.03014	8.7
245.00948	4.8
247.02541	5.0
248.03088	1.0
249.04047	8.0
257.00940	14.4
258.01678	4.9
273.00345	3.2
274.01245	1.6
275.01996	50.5
276.02417	4.6
283.99719	4.1
291.01672	1.1
298.98251	1.0
299.99026	3.4
300.99933	100.0
302.00317	8.2
319.00903	1.1
391.13708	0.7
463.05338	1.2
481.06458	2.2
507.04465	1.0
783.06946	40.6
784.07019	10.9
815.08942	4.7
816.09521	2.0
849.59613	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	847.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01414	1.0
72.43702	0.8
90.70126	0.8
91.03145	0.8
95.01396	2.0
98.22159	7.6
101.02466	0.8
109.02968	2.4
114.99927	0.8
119.05019	1.4
119.24436	0.8
121.03047	0.7
123.00858	3.9
125.02454	4.1
129.03473	1.3
131.05032	0.9
133.02974	2.3
137.02470	9.7
145.02936	4.4
147.00912	1.1
147.04518	2.4
149.02432	2.5
157.02951	2.2
158.03705	1.0
159.04541	2.5
161.02449	1.7
163.00388	2.7
163.04024	2.6
165.01920	3.2
169.01396	2.4
173.02486	5.4
174.03197	0.8
175.04016	6.3
177.01987	3.8
185.02451	5.2
185.03918	0.8
187.00369	1.1
187.04036	1.3
189.01926	3.3
190.02719	1.7
190.99884	1.4
191.03487	4.0
193.01433	6.0
199.00357	0.9
201.01949	9.4
202.02417	1.4
203.03532	9.7
204.03752	1.5
205.05051	1.5
209.00989	1.0
213.01935	2.2
214.02682	1.0
214.99838	1.0
217.01476	5.8
218.02150	1.3
219.02983	3.6
226.00378	0.9
226.99829	1.1
228.00554	1.2
229.01418	15.5
230.01814	2.0
231.03000	10.4
232.03307	0.8
237.00380	5.6
245.00883	7.8
246.01294	1.1
247.02512	6.5
249.01801	1.3
249.04085	13.5
257.00943	16.9
258.01620	7.2
261.00272	1.7
270.98596	1.0
273.00409	7.4
274.01001	1.3
275.01999	65.8
276.02353	6.3
277.03003	0.8
282.98859	0.9
283.99619	2.2
291.01563	1.2
298.98315	2.3
299.99109	2.9
300.99918	100.0
302.00223	9.1
303.01135	2.3
305.02866	1.0
307.04660	1.9
319.00897	1.3
333.02658	1.9
397.31924	0.8
445.04507	1.0
463.05298	6.1
464.05417	1.0
481.06030	3.0
495.07690	1.9
708.15057	0.9
783.06976	5.6
784.07129	1.6
815.09186	5.4
816.09326	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	847.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
67.01900	2.7
85.02960	1.4
87.87126	1.3
92.05062	3.4
93.03462	1.7
95.01404	3.3
95.37301	1.1
98.00108	2.8
98.02497	3.9
98.21706	2.3
98.22395	5.6
99.00903	5.1
99.04573	2.3
103.05591	1.5
109.02968	5.0
111.01977	1.4
117.03461	1.5
118.25464	1.3
119.05096	2.9
121.02990	5.5
123.00900	7.7
123.08106	1.2
124.01707	2.7
125.02462	11.2
130.06606	2.2
131.05051	2.5
132.79964	1.2
133.03015	1.5
136.04057	2.8
137.02467	15.2
139.03983	1.3
145.02979	3.3
147.04527	6.5
149.02467	19.6
151.04053	4.1
157.03004	2.7
159.04529	6.8
161.02480	1.9
161.06055	1.6
163.00398	3.7
163.04012	6.0
164.01189	2.5
165.01965	4.1
169.01425	3.2
172.93105	1.1
173.02477	3.4
174.05644	2.1
175.04031	10.7
176.01199	2.0
177.01941	10.9
177.05635	2.6
180.06682	1.2
185.02487	5.2
187.03996	4.1
189.01964	4.6
190.02716	3.7
190.99852	2.3
191.03510	6.7
193.01392	6.4
197.71696	1.2
197.73541	1.1
201.01895	6.1
202.02512	1.2
203.03529	24.9
204.03984	3.5
205.01418	5.1
205.04988	9.2
209.00986	2.4
209.03062	2.5
213.01956	3.3
214.02568	1.3
216.00586	1.7
217.01413	4.0
218.04559	3.1
219.03024	2.9
221.04570	4.8
229.01489	12.6
230.01958	2.0
231.02992	42.2
232.03412	3.6
233.00963	1.5
237.00435	3.2
237.07741	3.2
245.00929	5.2
247.02467	10.1
248.02924	1.2
249.01469	2.7
249.04050	51.5
250.04469	3.9
251.05562	2.1
257.00955	14.5
258.01453	3.0
262.07233	3.0
263.05621	5.1
273.00464	2.8
275.02002	65.1
276.02353	4.9
278.74222	1.1
279.05182	3.4
281.06616	3.9
283.99728	2.9
293.02991	3.6
299.99142	2.6
300.99927	100.0
302.00333	9.5
307.04623	25.8
319.01129	1.6
325.05643	11.4
351.03613	28.4
352.03793	3.2
369.04782	2.6
399.12045	9.5
400.12497	2.2
419.06204	3.5
420.05624	1.5
445.04184	2.3
463.05353	9.0
464.05490	1.9
495.07822	5.0
513.08795	3.9
797.08295	4.9
798.07971	2.1
815.09473	14.7
816.09607	3.3
847.12128	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	847.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.9
69.03451	1.6
69.04440	1.6
69.04865	2.7
70.63611	0.4
73.02966	0.6
73.44231	0.4
81.03465	1.6
83.01364	2.1
95.01421	1.0
95.05059	1.7
97.02970	3.7
98.21726	0.8
105.01895	0.4
107.01415	1.5
108.02210	0.5
109.02966	9.1
111.00916	0.9
121.02989	1.5
123.00899	1.9
123.04543	5.6
124.01698	0.6
125.02460	70.4
126.02827	2.6
129.31140	0.4
135.04480	0.5
137.02477	6.4
139.00336	1.0
139.03989	2.0
139.11317	6.2
140.01141	1.1
145.02946	2.6
146.03653	0.5
149.02455	1.9
150.03258	0.7
151.00395	0.5
151.04013	5.7
159.04485	2.2
160.05266	0.7
161.02510	0.5
161.06088	2.0
164.01118	1.2
165.01935	2.0
166.99835	1.1
167.03595	0.7
168.00645	1.8
169.01439	100.0
170.01782	3.9
175.04068	0.8
175.07584	0.9
177.02051	0.4
179.03470	2.3
179.56664	0.4
181.12358	4.0
181.28529	0.4
182.12668	0.5
183.10283	9.9
184.10599	0.6
185.05998	0.9
187.04019	2.1
188.04826	1.3
193.01395	3.4
199.07561	0.5
199.13330	2.0
202.06372	0.6
203.07140	4.7
205.01378	0.6
205.05017	2.9
209.12064	0.4
221.08211	1.3
225.11342	3.3
227.07201	0.9
243.12383	50.3
244.12700	2.5
245.08221	7.5
246.08478	0.7
247.02440	0.6
253.05086	1.0
259.06168	0.9
271.06113	4.4
272.06488	0.5
285.13721	0.5
289.07190	37.9
290.07614	3.4
301.00037	1.1
303.05084	2.0
331.04721	1.4
332.05020	0.5
405.17688	19.3
406.18231	2.6
413.59723	0.4
441.08301	48.2
442.08658	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	847.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.2
71.01389	11.3
81.74234	1.4
81.94205	1.8
85.02969	3.3
89.02479	4.8
89.43113	1.5
101.02443	4.5
111.04518	2.0
113.02470	2.5
124.91192	1.6
124.99263	1.5
149.06139	2.2
150.06879	43.6
163.07686	5.6
163.84744	1.5
164.08525	8.5
177.09219	2.1
178.10088	1.7
179.10793	22.5
180.11143	2.0
199.64822	1.7
218.62819	1.6
229.83438	1.9
231.78632	1.7
259.23642	1.7
325.54074	1.7
364.22482	2.9
446.30478	2.5
461.32886	2.1
477.32614	4.1
505.31799	5.7
523.32794	7.8
531.80731	1.9
667.36859	2.4
685.38470	4.6
743.38745	1.8
847.43463	100.0
848.43427	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88348	2.0
71.01387	3.2
99.30887	2.0
107.42333	2.1
112.73735	1.9
113.60762	2.3
130.88983	1.9
235.08235	5.6
253.09254	11.0
277.21732	100.0
278.22125	10.6
291.19672	37.8
292.20074	2.7
309.20755	49.5
310.21085	3.6
402.26819	2.3
458.97946	2.9
724.34589	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	849.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56004	4.7
74.60965	4.8
88.59740	4.9
93.03468	6.1
95.30835	5.4
105.03459	6.2
106.91930	6.6
109.02950	9.6
117.03475	10.1
119.05032	11.5
123.00840	6.2
125.02458	18.0
131.05040	6.4
133.02966	5.9
135.04538	9.6
137.02449	6.3
145.02962	20.5
147.04552	15.2
149.02432	10.1
149.06119	7.3
151.03970	8.5
156.31442	6.1
157.02928	9.3
159.04539	15.3
161.02477	17.6
161.06093	17.0
162.03189	7.2
163.00429	10.4
163.04015	41.0
164.01082	5.5
165.01949	8.0
173.02438	25.6
174.77245	4.8
175.04015	32.6
177.01898	21.4
177.05492	9.5
185.02490	8.5
187.04007	18.5
188.00920	6.5
189.01978	17.3
190.02713	14.3
190.06105	5.0
191.03511	46.3
192.00647	4.9
193.01421	18.2
197.91205	4.8
199.00311	8.9
201.01965	32.3
203.03503	53.6
205.01471	9.2
205.05051	46.8
206.05418	6.3
209.00995	6.8
212.28526	5.3
217.01454	43.2
219.02888	21.2
221.04489	9.1
226.99866	15.3
229.01427	37.8
230.02043	7.9
231.02983	54.3
232.03438	6.6
235.02477	6.4
242.99205	8.1
245.01019	34.7
247.02489	86.8
249.03951	36.4
251.01971	10.5
257.00906	24.4
270.98929	28.2
273.00461	74.5
275.01978	82.2
276.02405	8.7
291.01468	21.4
293.02948	11.3
298.98322	44.3
299.99100	15.8
300.99924	97.8
302.00250	9.6
337.02042	100.0
338.02441	12.8
349.02017	5.8
351.03513	34.5
379.02695	6.5
395.17969	6.4
461.03436	6.1
479.04794	12.9
596.40430	6.2
737.06262	8.3
745.02667	8.1
755.06580	7.5
763.03082	8.6
777.05035	7.6
781.05481	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	849.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42617	0.6
70.60586	0.7
76.61980	0.6
79.88392	0.7
91.01910	0.7
98.21721	1.4
99.00887	1.5
108.30582	0.7
109.02964	1.1
116.80360	0.7
119.01423	1.0
119.05043	1.4
119.71924	0.6
121.02963	0.9
123.00920	0.7
131.05017	1.0
133.02922	1.6
135.04520	1.8
139.66032	0.8
145.02946	1.7
147.00830	2.1
147.04538	4.4
148.04950	0.6
149.02443	1.2
159.04514	3.7
161.02432	1.9
163.04030	4.8
169.01472	1.3
173.02484	0.9
175.00375	2.2
175.04033	8.6
177.01912	7.2
178.99904	1.3
179.03523	3.5
185.02417	1.0
185.60951	0.8
187.04051	6.3
189.01923	2.4
191.03548	3.3
192.00641	2.9
201.01953	1.6
203.03502	30.9
204.03867	1.2
207.03003	8.3
213.01945	2.1
217.01357	1.3
218.99493	1.5
219.02985	2.3
224.51938	0.8
229.01416	1.6
229.09357	1.0
231.02991	32.3
232.03401	2.1
235.06123	2.1
245.00957	1.8
245.90230	0.6
247.02499	3.4
251.02010	15.6
252.02129	0.9
263.05634	1.3
269.97855	0.6
270.98798	2.2
273.00476	2.3
275.01968	3.0
291.01398	1.4
298.98447	4.3
300.99927	3.0
307.04590	3.6
351.03595	100.0
352.03976	10.0
461.03601	2.0
479.04880	6.7
480.05045	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	849.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21791	1.0
99.00909	1.8
107.73325	0.6
109.02969	1.3
114.25423	0.6
119.05019	1.4
121.03000	0.8
125.02421	1.1
131.05034	1.6
133.02940	0.8
135.04543	2.2
135.25636	0.7
145.02968	1.8
147.00903	2.1
147.04559	3.3
148.01662	0.8
149.02432	0.9
151.04085	1.0
159.04532	4.4
161.02473	1.9
163.00383	1.0
163.04005	5.6
164.01042	0.6
169.01463	0.9
173.02423	1.0
175.00380	2.1
175.04022	8.4
176.04414	0.9
177.01932	6.4
179.03532	3.9
187.04012	5.5
189.01927	3.4
190.02686	1.5
191.03542	3.3
192.00641	2.1
201.01988	1.4
203.03525	29.1
204.03949	2.2
207.02979	8.6
213.01964	2.0
217.01402	1.4
218.99339	2.3
219.02908	1.5
229.01495	2.8
231.03006	31.1
232.03300	2.2
235.06100	2.1
245.00919	2.8
245.90239	0.6
247.02461	2.9
249.04118	0.8
251.01999	17.4
252.02281	0.8
263.05615	1.7
270.98846	2.1
273.00439	2.5
275.01944	4.6
291.01645	1.3
298.98328	4.1
300.99762	3.5
305.03110	0.9
307.04620	4.2
351.03601	100.0
352.03900	9.6
451.05209	0.8
461.03641	2.3
479.04666	7.5
480.04922	1.1
499.49460	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	849.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83847	2.5
72.70948	0.5
77.75475	0.6
79.56329	0.5
92.38886	0.5
94.85400	0.5
94.96090	0.6
95.63489	0.5
99.00912	1.8
109.02967	1.4
115.05486	0.8
119.01382	1.1
119.05087	1.0
121.02946	0.8
123.00893	0.6
125.02450	1.3
131.04974	1.0
133.02963	1.2
135.04517	1.8
143.05063	0.6
145.02943	2.3
147.00885	2.3
147.04520	4.1
148.01715	0.7
149.02463	0.9
158.70287	0.6
159.04510	5.2
161.02446	1.8
163.00381	0.7
163.04018	4.8
164.04491	0.7
169.01430	1.7
173.02443	0.9
175.00354	2.0
175.04010	10.3
176.01152	0.9
176.04453	0.7
177.01955	6.4
179.03506	4.5
185.02487	1.0
187.04050	6.2
189.01959	3.4
190.02670	1.5
190.99850	1.2
191.03516	3.3
192.00645	2.1
201.01849	2.3
203.03511	29.3
204.03917	2.5
207.02977	8.7
208.03230	0.5
213.01941	1.7
216.00592	0.7
217.01393	2.4
218.99429	1.6
219.03026	1.9
225.04099	0.7
229.01413	2.3
231.03001	38.6
232.03340	2.7
235.06104	2.2
242.99310	0.8
245.00836	1.7
247.02483	3.3
249.04095	0.8
251.01997	18.0
252.02353	1.0
257.01010	1.2
259.99783	0.7
261.03943	0.7
263.05576	1.5
270.98843	1.9
273.00400	2.6
274.00986	0.8
275.02020	5.5
291.01456	1.2
298.98486	3.0
299.98727	0.8
300.99963	4.3
305.03046	1.2
307.04480	4.1
316.40488	0.7
351.03580	100.0
352.03903	11.6
435.05426	0.7
451.05469	1.0
461.03796	1.4
479.04648	6.5
480.05127	0.9
625.70581	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	849.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	1.8
69.38001	11.2
69.77962	1.6
71.01014	1.4
71.37284	1.6
83.01381	2.5
93.03447	2.2
95.85861	1.6
97.02988	2.1
98.21850	2.8
109.02992	9.1
121.02925	1.8
123.01008	1.8
123.04504	6.0
125.02460	100.0
126.02792	4.6
133.02963	3.5
137.02438	10.9
145.02943	4.8
149.02423	3.7
149.65211	1.6
151.04048	4.7
159.04518	4.3
161.02463	25.1
161.06117	2.6
163.04013	3.6
164.01176	3.7
165.01904	3.8
169.01434	28.6
175.03996	6.4
177.01952	5.9
183.04559	2.2
183.08133	1.4
185.06154	2.3
187.04059	6.2
199.03996	4.1
201.05669	3.2
203.03346	1.9
203.07132	2.2
205.05038	2.1
211.03979	2.3
213.05554	1.6
217.05153	2.6
225.05603	2.3
227.03450	4.0
227.07204	2.0
229.05023	2.8
231.03079	3.0
241.05095	2.4
243.03064	3.2
243.06421	1.9
245.04465	6.0
245.08189	4.1
253.05255	2.3
255.03000	6.5
256.03781	3.1
257.04691	1.7
269.04562	22.8
270.05127	2.0
271.06131	9.0
273.04095	2.0
281.04544	3.5
281.93311	1.6
285.04095	3.1
287.05612	12.1
289.07208	13.2
299.05661	3.4
303.05182	2.9
321.32800	1.7
339.08878	1.8
363.08725	2.8
389.06598	2.4
395.08002	1.9
407.07773	41.3
408.08151	5.4
415.08481	1.6
419.07898	3.3
425.08722	4.2
425.38486	1.5
431.07864	2.7
433.09247	9.0
451.10284	6.3
454.22656	1.7
512.76154	1.8
527.09979	2.5
541.11157	6.7
542.12140	2.0
545.10480	9.0
546.10931	2.6
559.12622	17.6
560.12885	3.8
564.67706	1.7
571.12451	2.3
577.13300	7.0
616.65515	2.0
624.13507	1.6
679.14819	1.9
697.15479	10.3
698.15405	2.8
814.90680	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	849.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82871	1.3
69.09799	9.7
72.88741	0.9
92.95831	1.0
93.03472	1.3
96.96075	1.1
98.42606	1.2
108.02206	1.7
114.88812	0.9
121.03001	1.5
122.03815	1.2
125.02493	2.7
134.03807	1.7
149.02496	1.8
150.03239	5.1
151.00484	1.9
160.01726	1.5
165.05589	2.5
169.01456	1.4
179.85400	1.3
227.03581	2.2
243.02997	6.7
255.03058	17.4
256.03485	1.4
271.02515	37.4
272.02985	4.8
299.02020	8.3
300.02786	100.0
301.03183	9.3
314.04306	2.5
315.05148	83.4
316.05447	6.9
324.92975	1.2
459.09970	1.2
652.14362	1.2
653.15338	6.0
654.16272	1.3
849.22302	16.6
850.23102	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	849.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.3
66.48310	0.8
76.59055	0.8
88.98824	2.2
93.03475	2.7
99.92606	1.0
103.56124	0.9
108.02176	5.6
108.20234	0.9
109.02971	1.0
116.92867	8.3
117.03464	1.8
117.92886	1.6
119.05042	7.3
119.97888	1.0
121.02967	3.8
122.03781	3.6
123.04541	11.9
133.05385	5.8
133.06238	0.9
134.03720	3.1
135.04579	4.5
136.01677	100.0
136.07660	4.5
137.02298	4.0
145.02953	4.3
146.03725	1.5
147.04514	9.6
148.01662	3.5
148.05325	12.8
149.02466	14.1
149.06082	2.6
150.03244	35.7
151.04027	84.4
152.04382	3.8
153.05559	3.2
159.04532	1.6
160.04080	1.5
160.05362	1.0
161.06091	13.5
162.05650	2.2
162.06877	4.8
163.04048	4.9
163.07651	6.2
164.04819	2.2
165.05571	16.0
173.52869	1.1
176.03532	1.3
176.08446	10.9
178.05133	4.2
179.03563	1.5
189.04248	1.2
190.05074	3.0
190.06516	1.9
191.03584	1.7
191.05957	2.8
192.06706	2.8
194.05876	3.4
203.05861	1.1
204.06734	2.8
206.08243	3.9
218.08290	2.7
265.08612	1.1
267.94998	0.9
278.05829	2.3
295.06226	1.6
295.09430	1.8
297.10132	2.9
309.11105	1.6
310.11215	2.2
311.08636	1.1
311.11749	3.4
312.09390	1.8
312.12527	17.1
313.09802	1.1
326.11389	1.8
327.12234	2.0
328.11905	26.6
329.12228	2.6
337.07043	3.3
338.10760	1.1
339.11246	1.1
340.08118	1.1
340.12009	1.7
353.12900	5.0
368.11493	1.2
388.11911	1.2
404.60611	1.1
459.13452	6.4
460.14078	4.3
461.15512	1.7
471.15524	1.2
472.13840	5.3
473.14679	2.1
474.15677	7.1
475.16638	4.9
487.16565	1.9
488.17090	2.9
489.17981	18.7
490.18652	8.6
500.17313	1.2
502.18787	19.4
503.19022	2.7
504.20911	1.6
518.18195	1.4
520.19818	1.9
527.18237	1.8
534.21130	6.1
621.26776	1.6
638.23840	5.5
639.25293	2.0
647.23431	1.6
650.24158	5.6
651.23981	1.4
665.25677	1.4
667.26300	1.7
668.25195	12.2
669.24530	2.1
679.26520	3.0
680.27130	1.4
686.26227	13.9
687.26172	4.7
697.27832	9.6
698.27295	1.5
725.26514	1.3
801.30090	3.1
813.29053	1.4
819.30841	5.1
820.31653	2.0
831.31738	5.9
832.31262	2.1
849.32831	29.9
850.32922	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	849.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32569	1.3
65.25999	1.1
117.03518	2.8
121.00523	1.2
125.02423	1.9
129.32751	1.4
145.02971	7.7
146.03337	2.6
150.03235	1.6
199.04005	10.3
200.04671	2.7
211.04146	3.3
212.04697	2.2
227.03500	11.3
228.04317	5.5
229.04977	1.8
229.59106	1.6
240.04306	4.3
241.05020	3.2
242.05836	2.1
243.06688	4.0
255.03049	5.8
255.06694	8.8
256.03778	7.2
256.07202	2.9
257.04419	1.7
270.05359	19.3
270.08954	7.0
271.06152	38.3
271.09186	2.6
272.06784	7.2
285.07715	52.5
286.08426	28.1
287.09271	23.2
288.09708	2.4
300.02679	2.4
300.10049	30.2
301.10858	36.6
302.11252	3.6
315.05334	1.6
434.12640	2.0
449.14865	2.2
464.17191	100.0
465.17432	17.8
522.43408	1.5
671.18518	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	849.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94635	0.6
61.98824	0.6
92.22296	0.6
98.02483	1.0
116.92833	0.7
117.03475	0.8
123.04539	0.7
125.02440	0.7
133.63301	0.7
136.01668	1.8
145.02928	1.4
148.05283	0.8
149.02405	0.7
151.03998	1.6
159.04520	1.0
161.02437	0.9
162.05603	0.7
175.04015	1.7
176.04820	6.5
179.03482	0.8
187.04068	1.1
191.07147	6.7
197.06105	0.7
199.04016	12.2
200.04674	2.4
200.53076	0.6
201.05482	1.0
202.05220	0.6
203.07130	1.5
210.03210	1.7
211.04018	2.1
213.05571	2.6
215.07263	0.7
221.08228	4.9
223.03862	0.8
225.05565	0.7
227.03506	11.9
227.07071	0.7
228.04259	4.7
229.05069	1.4
239.03470	1.1
240.04259	2.6
241.05061	3.9
242.05928	2.9
243.06660	2.4
243.14209	0.6
253.05130	0.8
255.03078	5.7
255.06618	10.3
256.03824	6.0
256.07300	2.7
257.04514	3.5
257.08160	1.1
270.05359	17.5
270.08917	6.2
271.06134	37.2
271.09152	1.6
272.06772	7.0
285.07709	55.3
286.08417	30.1
287.09247	21.9
288.09711	2.0
298.10593	0.8
300.10043	31.4
301.10812	38.5
302.11154	3.0
312.04932	1.0
312.12411	1.5
328.12027	0.9
354.13593	2.1
366.13550	1.2
384.14468	3.8
419.09860	0.8
432.14078	0.8
434.12497	1.9
449.14789	2.8
464.17172	100.0
465.10974	1.0
465.17480	16.3
582.11230	0.6
747.30359	0.6
849.33435	0.7
862.67279	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	850.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98836	100.0
62.98534	0.1
70.81568	0.2
70.81917	0.1
72.39420	0.1
74.84965	0.1
79.95748	0.3
80.96516	1.0
94.98130	0.2
96.96002	0.2
125.02470	0.2
164.98656	0.1
169.01387	0.1
225.00861	0.3
275.02127	0.1
309.21088	0.1
535.94513	0.1
559.87622	0.1
728.13727	0.1
851.40961	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	850.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98545	0.2
62.99245	0.1
70.29906	0.3
70.30260	0.2
80.06776	0.2
90.22312	0.1
209.11971	0.2
336.31708	0.1
439.43716	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	851.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01421	2.7
66.18515	2.3
78.39312	2.0
79.80386	2.4
89.04018	2.2
89.29183	2.1
95.01415	2.4
105.03484	2.7
108.13071	2.1
109.02966	2.4
113.02464	3.7
114.79913	2.4
117.03476	7.2
119.05035	4.8
119.32954	2.3
121.02943	3.3
123.00894	4.1
125.02460	11.4
131.01353	3.1
133.02942	7.9
135.04539	5.4
137.02472	2.8
145.02957	17.6
147.04515	7.4
149.02472	5.5
151.03964	2.9
157.02960	3.9
158.03404	2.0
159.00818	4.1
159.04521	3.3
161.02478	20.1
163.00381	8.2
163.04048	13.0
169.01437	6.9
171.00813	4.5
173.02454	14.9
175.03958	11.0
176.01164	3.1
177.01938	9.5
179.03552	2.5
185.02400	5.7
187.00423	10.9
187.04071	2.8
189.01961	22.0
190.02620	8.1
191.03494	31.2
200.01108	3.9
201.01921	17.8
203.03488	13.4
205.01308	3.4
214.99837	9.0
216.00563	3.5
217.01410	32.1
218.02002	4.6
219.02995	12.3
221.04491	2.5
226.99852	4.6
227.03503	3.3
229.01442	22.5
229.05078	3.8
230.01956	4.8
231.03001	10.1
235.02420	3.1
242.99271	12.6
245.00903	34.3
246.01402	3.1
247.02469	51.9
248.02776	3.3
249.04008	8.4
257.00845	6.9
257.04449	2.3
258.01523	3.2
259.99661	5.0
261.00400	16.2
263.01974	5.9
270.98853	30.3
271.99164	5.7
273.00385	43.7
274.00726	5.4
275.01999	21.9
283.99777	4.1
285.04086	26.0
286.04382	3.2
286.98318	5.8
287.01736	2.6
288.99976	4.5
291.01447	13.6
298.98383	32.0
299.98917	6.9
300.99911	100.0
302.00223	9.4
423.05862	3.0
448.24887	2.4
449.03586	4.7
461.07410	6.6
707.05432	3.2
725.06232	9.8
726.06433	3.2
735.04736	19.2
736.05194	3.8
751.04303	21.9
752.03973	4.2
753.05090	8.0
779.03381	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	851.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.3
67.56863	1.1
70.50951	1.1
75.80883	1.2
93.03479	1.3
95.01378	3.9
99.00887	2.2
109.02946	2.3
117.02040	1.1
117.03483	1.5
119.05049	2.3
120.51068	1.3
121.02904	1.8
122.96344	1.2
123.00891	3.9
124.01682	2.7
125.02460	8.2
131.05037	3.0
133.02939	1.6
135.04507	1.3
137.02455	4.8
145.02950	3.4
147.00864	1.5
147.04506	4.1
149.02509	3.0
151.04044	1.6
159.04541	8.9
161.02505	2.5
161.06131	1.8
163.00412	6.2
163.04062	5.6
164.01146	1.9
165.01952	3.7
173.02449	2.9
174.03180	2.0
175.04004	9.9
177.01955	7.4
177.05548	5.5
179.03561	1.6
179.07181	2.0
185.02461	4.6
187.04021	3.6
189.01912	4.1
190.02730	3.8
190.99846	1.4
191.03522	9.8
193.01353	3.9
193.05119	1.5
201.01952	6.7
203.03503	27.3
204.03882	3.0
205.05090	13.1
206.05499	2.2
207.02951	2.0
213.01935	3.5
217.01434	2.9
219.03014	7.0
221.04504	4.7
229.01431	15.6
229.51207	1.8
230.02028	1.9
231.03014	27.5
232.03310	2.0
245.00920	4.9
247.02525	10.5
249.04082	29.0
251.02026	3.6
257.00919	17.4
258.01630	6.7
273.00537	2.5
275.01999	100.0
276.02280	8.2
283.99512	3.0
291.01563	2.5
293.03082	12.3
298.98380	1.4
299.99109	1.8
300.99927	72.0
302.00247	4.9
307.04565	2.3
319.01074	4.8
337.01981	3.0
351.03561	15.5
352.04013	2.3
453.06998	2.4
463.05380	6.0
481.06180	10.9
739.06378	1.6
757.09778	2.4
783.06860	10.2
784.07050	2.6
801.07996	14.5
802.08185	1.6
833.09949	4.4
851.12311	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	851.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
59.18219	3.1
70.17298	3.6
70.89190	6.5
73.70629	3.2
75.41108	3.3
81.03450	10.1
83.01385	12.4
93.03473	7.2
95.01412	4.1
95.05022	9.7
96.96017	5.3
97.02959	10.9
107.05051	4.5
109.02965	36.9
116.92896	7.3
120.02203	3.8
121.02985	10.1
122.03667	5.1
123.04568	25.8
124.01631	3.3
125.02467	100.0
130.89140	3.4
133.03003	6.3
135.04509	4.3
137.02457	52.0
139.04004	5.3
145.02974	5.8
149.02467	21.4
151.04028	24.6
159.04504	8.5
161.02484	9.5
161.06081	7.7
162.03247	3.7
163.00410	22.5
163.03990	6.4
164.01144	34.1
165.01964	28.2
167.03540	24.3
169.01413	16.9
173.06131	4.8
174.03148	4.3
175.04034	23.3
176.01140	6.3
177.01967	28.8
179.03535	7.5
185.06139	3.8
187.03981	13.5
188.04712	5.7
189.05577	4.9
190.05081	9.2
191.03508	5.4
199.04019	6.1
201.05614	16.3
203.03319	3.6
203.07150	11.7
205.01480	16.2
205.05064	9.5
211.03993	12.1
212.04745	5.2
213.05516	12.3
215.03448	10.6
217.05078	4.7
225.05609	8.4
227.03513	16.4
228.04326	3.9
229.05029	23.4
237.05740	4.0
239.03479	7.9
241.05043	29.0
242.10681	5.0
243.02975	9.0
245.08238	12.7
249.05602	6.2
251.03590	6.1
253.04872	9.6
255.03023	19.5
256.03723	6.0
257.04541	14.6
257.12924	26.7
261.05533	4.0
263.07138	4.4
265.05060	9.7
267.03082	7.1
268.03546	4.7
269.04553	24.3
271.06186	6.1
273.04053	4.6
279.02988	7.2
279.06647	6.5
281.04550	12.8
283.02774	3.4
285.03922	6.8
289.07242	76.8
289.28394	3.5
290.07584	7.1
293.04721	3.9
295.06256	3.7
297.04117	15.4
301.11911	25.2
303.06226	4.4
307.02740	3.9
307.06198	14.1
309.03922	5.0
309.07587	3.8
329.06470	4.2
331.06039	4.8
333.04111	6.5
333.07849	4.2
337.07285	6.1
337.11584	4.2
339.08960	8.2
349.07083	9.9
359.05511	4.6
361.07092	4.2
365.06757	6.7
375.05045	12.8
377.06631	5.3
379.08463	4.5
381.09555	5.2
389.06699	4.5
393.06207	28.9
394.06891	4.0
395.07672	11.3
405.06152	6.0
407.07703	82.2
408.07977	12.2
417.06149	13.1
423.07257	24.6
425.08978	24.2
435.07520	19.2
499.10788	4.1
517.11298	4.9
517.18231	14.1
539.09930	4.4
543.09467	9.5
551.08899	4.3
557.10736	4.1
561.10547	55.9
562.10815	13.5
563.11505	5.1
573.10260	7.8
579.08240	5.4
699.13214	6.9
725.15387	5.8
851.17438	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	851.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
61.98839	10.1
69.63049	1.3
71.01384	0.7
85.02965	0.3
87.00870	0.3
92.24845	0.3
97.48573	0.3
98.21764	0.3
101.02395	0.7
111.97728	0.3
113.15998	0.3
116.92848	0.4
117.03481	43.7
118.03842	1.6
119.05042	10.0
120.05429	0.4
121.02998	0.5
122.06231	0.3
122.38935	0.3
125.02410	0.5
132.02193	0.8
133.02979	1.4
134.03763	3.1
135.04536	1.4
136.01677	0.8
137.02547	0.4
138.03270	0.4
145.02971	100.0
146.03310	5.5
147.04529	0.4
148.05371	0.4
149.06052	0.5
151.04030	0.6
153.05605	0.6
160.01675	5.4
161.02461	3.4
161.06203	0.5
163.04048	6.4
163.90677	0.4
165.01904	0.6
175.04025	5.2
176.04706	0.5
177.01886	0.7
177.05573	0.4
179.03520	1.3
180.04243	0.3
187.03975	0.4
191.07187	0.8
192.04317	0.5
193.01424	0.6
193.05038	2.4
195.06686	0.5
207.06622	0.7
217.05034	0.5
223.06117	1.1
235.06128	1.5
245.46045	0.4
289.07190	0.5
295.08340	0.5
297.07437	0.4
298.38464	0.4
307.08429	0.8
312.12790	1.7
314.94461	0.4
337.09354	0.5
357.13416	0.4
401.12674	0.5
449.14603	0.8
453.11975	1.4
511.14014	0.4
558.76959	0.4
645.18390	1.4
663.19659	1.8
675.19067	0.7
687.18976	0.7
705.20532	8.4
706.20642	1.9
791.21783	1.6
792.22437	0.5
809.23016	0.9
851.23993	7.7
852.24915	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	851.2413
Annotation	Smilaside H
Peak:m/z	Relative Intensity
60.27980	0.6
60.88726	0.5
70.30105	1.1
70.30474	1.0
71.01364	1.1
73.23909	0.6
77.26378	0.5
86.23213	0.5
117.03482	46.8
118.03819	2.2
119.05049	12.0
132.02180	2.3
133.02960	1.6
134.03780	3.2
135.04552	1.0
145.02974	100.0
146.03339	4.0
160.01689	6.6
161.02510	4.7
163.04028	9.0
175.04033	7.1
176.04474	0.7
179.03532	1.5
191.07111	0.6
193.05066	2.3
205.05098	0.8
235.06178	1.4
252.80577	0.5
265.07416	0.6
265.10568	0.5
453.11969	1.1
479.90054	0.5
510.86017	0.5
632.70581	0.7
645.18243	0.8
663.18958	2.1
675.18976	1.4
687.19098	1.2
705.20441	6.7
706.20087	1.4
791.21869	0.8
792.22333	0.6
809.22894	1.9
810.24139	0.6
851.24182	10.5
852.24524	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	851.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	41.2
69.03947	28.0
71.01392	28.4
72.99289	4.8
80.05077	3.2
84.98517	3.5
85.02973	9.2
87.00928	3.5
89.02437	23.3
92.11671	3.1
98.21701	6.7
98.22372	12.8
101.02447	17.3
106.06649	4.6
113.02473	8.7
119.03511	7.5
122.06152	12.5
125.02406	4.1
132.04626	3.5
134.06137	40.1
146.04587	9.4
150.05600	4.0
152.07240	9.4
171.10237	3.5
213.10449	4.2
225.06767	5.1
227.08250	5.1
239.08255	3.8
239.11987	8.4
253.06239	4.4
257.13120	4.2
259.11093	3.7
265.06265	5.6
265.09766	6.3
267.07761	10.3
267.11401	6.8
279.07794	5.3
281.09351	10.9
282.10089	5.4
283.10922	14.9
293.09412	7.1
294.10062	6.0
295.11066	9.0
296.11142	3.6
330.16193	7.5
356.13763	3.5
372.17273	7.6
374.15680	4.2
416.16333	4.2
429.16922	3.8
433.56494	3.5
475.17279	7.5
504.23459	3.3
608.22815	3.8
610.24176	7.2
624.05182	4.2
638.23254	5.1
653.22400	22.3
654.23370	21.5
655.22778	5.3
685.24957	7.9
686.25531	6.6
699.30737	6.8
704.60468	3.4
715.27820	4.1
743.29645	35.4
744.29553	11.6
745.27032	6.4
775.32025	20.8
777.29620	9.6
778.30591	3.9
787.28003	10.2
788.29114	5.1
801.29407	5.3
819.31061	100.0
820.31165	24.9
851.33606	23.3
852.33905	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	851.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.1
61.98836	100.0
62.98539	0.8
71.01385	5.1
73.02960	0.9
79.95753	0.7
80.96519	0.8
81.03480	1.1
83.05050	1.7
85.02985	1.4
87.00903	0.7
89.02479	2.1
94.92565	0.8
94.98167	0.6
95.01428	0.8
95.05061	1.0
96.96040	2.4
97.02963	1.0
97.06633	0.8
99.95372	0.5
101.02498	2.4
108.39902	0.5
109.06606	1.2
112.05254	0.5
113.02489	1.5
115.07709	1.1
119.03503	0.6
120.52806	0.5
121.02949	0.6
121.06593	0.6
123.04572	1.5
123.08176	1.2
125.06121	0.9
125.09734	4.7
127.07719	1.7
135.08228	2.0
137.09776	1.9
141.09282	1.0
141.12901	1.3
149.06111	0.5
153.09242	7.4
154.09630	0.5
155.10860	0.7
161.04611	0.8
163.11330	5.3
165.12912	0.6
165.74666	0.5
171.10298	15.3
171.11646	1.1
172.10666	1.0
178.10017	1.2
179.05649	0.6
181.12384	1.4
185.11826	6.8
185.13220	0.6
191.10844	1.1
191.14453	4.9
197.11882	4.0
207.10358	2.4
209.11844	20.3
210.12192	0.8
211.13475	0.9
214.29720	0.6
219.13995	0.7
225.11427	2.4
228.93834	0.8
235.08316	2.1
235.20842	0.6
238.12227	0.7
241.14542	0.8
245.19131	8.1
245.21576	0.7
246.19400	0.8
247.17281	0.7
253.09309	7.1
271.17197	1.9
279.19928	0.7
287.16571	1.0
289.18115	37.2
290.18402	3.5
291.19910	1.3
297.20889	0.9
300.99844	0.8
301.18225	0.8
305.17844	1.2
307.19174	44.3
308.19589	4.8
309.20871	1.8
325.20270	10.1
326.20618	0.9
407.19373	0.6
425.27121	0.6
525.27844	1.9
537.29218	0.6
543.28174	5.3
543.35144	0.7
544.28949	1.2
561.29785	1.7
651.22449	0.7
756.06415	0.6
764.39197	1.1
815.46057	1.9
833.47284	4.7
834.47681	1.3
851.46454	1.9
852.46625	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	851.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.6
60.12685	2.1
61.91012	2.0
71.01388	8.9
89.02457	4.7
97.06627	3.4
101.02457	5.5
109.07855	2.6
113.02474	4.7
113.09737	3.3
115.07669	2.7
125.09768	2.9
141.09264	2.6
165.12877	9.3
167.14468	2.8
181.12358	5.2
193.12346	5.1
202.92126	2.2
211.13353	3.0
247.20634	9.3
253.09358	9.1
257.17245	2.0
273.18643	6.9
277.21725	2.6
291.19699	100.0
292.20007	10.5
309.20731	89.8
310.21176	9.2
323.22263	49.0
324.22678	2.9
362.31549	2.7
440.20419	2.2
527.28278	3.6
545.29059	11.0
546.29773	2.6
779.17841	3.1
851.51105	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	853.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21145	4.0
69.62630	19.5
80.11106	3.8
92.51583	5.2
106.62725	3.8
123.00914	8.1
125.02476	11.3
137.02478	4.3
145.02954	7.8
147.04576	6.7
159.04584	6.0
161.02466	4.7
163.00372	11.1
163.04015	6.2
173.02512	8.1
175.04059	11.8
189.01904	7.2
190.02823	6.4
191.03560	16.5
193.37094	4.3
201.01953	14.8
203.03529	18.0
204.03827	4.8
205.52097	4.4
217.01480	14.5
218.02179	4.5
219.02991	11.0
221.04532	7.3
229.01408	20.9
231.03004	17.0
244.00055	4.1
245.01021	21.9
247.02425	38.7
248.02902	4.7
249.04031	16.2
257.00919	14.3
258.01471	7.0
261.00430	5.1
270.98904	12.6
273.00388	28.7
274.00946	4.2
275.02008	75.3
276.02298	11.3
277.02551	4.8
282.46564	5.1
291.01553	9.1
293.03055	5.7
298.98419	22.7
299.99008	9.4
300.99918	100.0
302.00198	13.3
352.03851	4.9
373.01697	4.9
753.06909	5.5
755.07513	17.3
781.05017	15.1
782.05682	5.9
785.08307	5.8
799.06415	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	853.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22847	0.6
70.96452	1.7
71.01371	2.4
72.99321	1.5
75.00879	1.2
83.01388	1.2
84.02177	1.8
85.02957	100.0
86.03291	2.2
87.00866	1.1
103.00397	1.2
119.05045	3.0
125.02427	0.7
129.01947	6.0
133.01372	1.1
147.03009	12.5
163.03976	4.6
173.00972	0.8
191.01991	54.3
192.02335	1.5
203.03473	0.8
209.03043	39.2
210.03337	1.1
217.01398	1.1
238.88467	0.7
247.02574	1.1
273.00348	1.1
275.01920	0.8
300.99820	1.7
315.76355	0.8
326.27753	0.8
337.05695	1.7
352.15707	0.7
355.06711	21.3
356.07315	1.3
456.08252	0.8
616.63226	0.9
705.45905	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	853.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	15.0
64.83848	4.7
66.87509	4.6
70.01888	14.5
78.95899	8.5
89.02468	6.7
94.92488	7.4
101.02454	5.1
125.09765	8.0
140.05539	5.5
153.09232	11.7
163.11241	11.9
169.01448	5.8
171.10312	29.4
176.90173	8.4
178.65501	4.7
185.11856	8.7
209.11867	55.9
235.08075	7.1
253.09322	17.5
270.41495	5.6
282.33502	5.7
289.18149	15.9
291.19678	82.5
292.20126	8.1
307.15939	6.8
307.19217	75.7
308.19449	7.8
309.20734	100.0
325.20093	25.3
329.55396	5.5
431.40085	6.1
543.27985	17.6
835.48450	15.7
882.24823	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	853.496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.6
69.03445	1.2
71.01396	8.4
71.05025	1.1
72.10818	0.9
73.02939	1.8
76.15538	0.8
81.03453	1.1
83.01418	1.0
83.05041	3.4
85.00455	1.1
85.02976	1.9
87.00893	1.3
89.02454	5.5
95.01382	1.0
95.05012	1.8
97.02934	1.2
97.06596	4.2
99.04525	1.7
99.08143	0.9
101.02457	7.8
111.08167	1.4
112.05338	1.0
113.02466	2.7
113.09738	1.9
115.07689	3.3
117.18013	0.8
119.03500	1.6
123.08119	1.9
125.06100	0.9
125.09736	4.3
127.07674	3.2
135.08157	2.0
141.09216	2.2
145.05122	1.3
151.11356	1.0
153.09218	12.0
155.10773	1.4
161.04579	2.9
163.11273	3.6
164.14191	0.9
165.12823	5.7
167.10858	0.9
167.14413	1.9
171.10303	13.5
172.10722	1.0
178.09988	1.9
181.12349	4.1
183.14008	1.3
185.11856	3.9
191.10782	1.8
191.14420	0.9
193.12331	1.9
195.13969	2.6
197.11885	5.8
209.11856	32.1
210.12207	2.5
211.13405	5.0
213.14954	1.1
221.15489	3.1
229.14369	1.6
229.63115	1.0
235.08252	6.5
238.12102	2.3
240.13747	1.2
245.19089	3.4
247.20743	4.7
253.09261	11.0
255.15866	0.8
263.20197	2.3
265.21780	1.1
273.18674	2.9
279.19693	1.4
280.25183	1.0
281.21213	2.7
285.94138	0.9
289.18155	8.7
290.18344	1.5
291.19681	41.8
292.19910	4.0
305.17532	1.1
307.19171	42.8
308.19440	4.6
309.20737	100.0
310.21097	10.7
311.22308	2.6
325.20233	17.6
326.20587	1.6
395.55130	0.8
456.61319	0.9
525.27045	1.6
527.28052	1.4
543.27985	6.8
544.28394	1.5
545.29724	16.2
546.30109	2.5
561.28961	1.7
693.38562	2.5
699.40247	1.3
766.41211	3.7
767.41559	1.6
784.41718	1.1
817.47662	1.1
835.48212	8.7
836.48358	2.6
853.49048	3.1
854.50171	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	853.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	13.7
68.99575	100.0
71.01372	7.5
71.25812	3.3
85.00461	2.5
89.02444	2.5
101.02454	3.8
112.98578	91.3
113.02492	3.9
125.02453	2.3
127.07652	8.5
153.12852	5.1
161.04593	2.4
165.12830	4.2
167.10757	2.7
171.10255	4.8
183.13947	3.0
185.11902	3.6
197.11836	22.1
199.13373	7.9
209.11855	12.6
211.13443	5.8
215.12921	7.5
227.12959	12.7
229.14470	20.3
235.08153	4.1
245.19121	3.5
253.09282	9.3
263.20184	2.6
265.21692	15.5
289.18140	7.5
291.19693	23.1
297.20807	3.1
307.19168	17.8
309.17493	4.4
309.20746	41.5
310.21017	7.6
325.20340	5.3
327.21594	2.9
366.00497	2.9
433.21243	4.9
543.27979	2.7
545.29767	4.1
725.40973	3.1
786.10675	2.6
812.56506	2.7
830.48694	2.8
835.49347	3.8
853.49384	16.9
854.49292	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	855.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52750	0.9
69.03440	1.5
71.01393	6.0
75.00888	1.1
76.05993	0.9
83.01381	1.4
84.67836	0.9
85.02955	43.1
86.03294	1.3
89.02455	3.1
103.00396	1.7
107.01396	4.4
111.00921	1.5
113.02457	2.4
123.00909	2.8
125.02457	56.5
126.02792	1.8
127.27746	1.0
129.01941	2.2
133.01462	2.8
135.04533	1.4
147.02979	3.0
153.01898	2.1
168.00700	1.9
169.01433	82.7
170.01781	3.1
171.11917	1.1
191.01987	13.8
193.01384	2.7
201.16737	1.0
209.03035	73.3
210.03380	3.1
211.02475	4.3
271.04626	5.4
300.99994	1.1
313.05673	2.3
331.06699	8.4
355.06870	1.5
371.06161	3.9
406.60873	1.0
439.08585	1.2
483.07816	100.0
484.08203	12.2
556.43744	1.0
654.31415	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	855.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16951	6.4
71.01392	3.5
72.99312	1.8
74.17179	0.9
75.00876	1.3
83.01409	1.2
84.02175	2.4
85.02961	100.0
86.03303	2.7
89.02467	1.1
96.91611	0.9
103.00386	1.4
111.00869	1.0
115.00395	1.2
119.05018	4.2
125.02472	2.5
129.01985	5.4
147.03030	13.6
148.03369	1.4
163.04034	3.8
191.02002	48.8
192.02365	3.6
193.01286	1.3
203.03409	0.9
205.05037	1.6
209.03047	36.0
210.03499	1.4
247.02525	0.9
249.04114	1.8
257.01096	1.3
275.02008	5.0
293.02591	0.9
300.99823	4.7
302.00314	1.0
337.02014	4.8
337.05725	1.8
355.06754	17.2
356.07016	2.3
481.06073	1.8
483.07693	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	855.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	0.8
69.52623	2.1
69.53035	2.7
71.01398	4.4
72.99285	1.1
75.49577	0.8
83.01376	1.0
84.39481	0.8
85.02962	31.6
95.01384	1.2
101.02455	2.5
101.38313	0.8
102.32359	0.8
107.01403	4.5
111.00890	1.2
113.02462	1.8
123.00891	5.4
125.02460	35.9
126.02753	1.9
129.02017	1.0
133.01430	2.1
135.04509	2.4
137.02509	1.0
139.00369	2.3
140.01137	1.7
147.03006	2.7
151.00359	4.8
161.06097	1.1
163.04030	2.5
165.01930	1.2
167.03493	2.3
168.00676	4.6
169.01448	55.9
170.01755	3.3
179.03535	1.4
181.01581	0.9
183.02946	0.9
187.04016	1.5
191.02019	9.1
193.01418	5.8
205.05043	2.3
209.03036	37.5
210.03372	2.1
211.02440	11.2
241.03473	1.2
249.03999	1.3
253.03517	1.1
257.00824	0.9
271.04587	8.9
275.02026	4.6
276.02335	0.9
300.99948	4.5
313.05692	15.3
331.06641	3.9
337.01984	8.8
342.61545	0.8
371.06299	2.2
477.04257	1.0
483.07874	100.0
484.08163	13.4
579.07538	0.8
644.04816	0.9
783.07208	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	855.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.7
64.89096	0.7
65.00334	1.7
66.45849	0.6
69.11687	4.6
71.01384	2.3
73.02946	1.0
74.43098	0.7
78.60297	0.6
79.01913	0.8
83.01392	1.3
87.00863	0.7
95.01405	0.9
101.02450	1.6
107.01382	5.2
109.02955	1.8
111.00869	1.2
113.02460	1.0
121.02963	2.8
123.00896	9.7
125.02462	10.2
127.00444	0.7
135.01047	0.7
136.83546	0.8
139.00424	3.5
140.01146	1.8
141.01978	0.8
150.80234	0.8
151.00392	20.4
152.00739	1.0
157.51373	0.6
163.00395	1.7
163.95314	0.7
167.06761	0.8
168.00655	3.2
169.01448	13.6
170.01686	0.8
178.99898	6.0
183.04527	0.8
199.03938	0.9
211.04079	1.3
226.02901	0.7
227.03424	2.0
229.05043	0.8
239.77420	0.7
243.02969	6.0
244.03398	0.8
245.04510	1.9
254.02306	1.8
255.03000	19.0
256.03320	0.9
271.02496	36.0
272.02841	4.3
273.03897	0.8
283.02542	1.9
300.02777	71.1
301.03510	67.7
302.03879	6.3
313.05777	0.9
353.04160	0.7
421.11438	79.6
422.11673	10.2
433.07782	100.0
434.08078	15.7
450.77011	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	855.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	15.8
71.01413	12.8
75.65785	13.3
87.33914	11.0
96.96025	52.1
105.27498	14.7
170.23790	14.2
197.11798	14.9
222.72800	11.0
228.81158	18.7
231.93312	12.0
253.09131	12.6
291.19775	100.0
309.20605	60.1
346.67593	11.8
519.86853	12.2
646.13477	15.8
754.79651	12.9
783.47174	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	855.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	6.0
69.03455	1.5
71.01402	6.8
72.99328	0.9
73.02971	1.8
73.85057	0.8
79.50788	0.7
82.21822	0.7
82.95412	2.4
83.01426	1.1
83.05029	1.4
85.00462	2.1
85.02966	6.9
89.02450	4.1
95.05022	1.0
96.96022	6.2
97.06612	3.2
98.22372	4.4
99.92563	1.3
101.02446	5.1
112.98552	0.8
113.02474	3.5
113.09772	1.4
116.92880	5.5
119.03506	1.3
125.02448	1.0
125.09775	1.4
127.11290	2.0
137.09836	1.4
141.09276	0.9
151.11340	0.8
161.04538	2.3
165.12825	4.0
167.10695	0.9
167.14420	1.7
171.10281	15.9
177.12953	0.9
181.10913	0.8
181.12369	3.4
183.13911	3.9
185.11922	1.1
193.12376	3.0
195.13931	2.2
197.11874	1.5
209.11836	3.1
210.12213	1.2
211.13405	19.0
212.13757	1.2
221.11847	2.4
221.15443	2.3
229.14444	11.9
235.08305	8.1
239.12878	1.6
240.13625	1.3
247.20755	4.4
251.16013	0.8
253.09320	24.2
254.09515	1.1
273.18542	2.1
281.21274	1.2
291.19690	39.1
292.20120	4.0
293.21155	1.0
309.20740	100.0
310.21088	10.9
311.22586	0.9
327.21780	90.6
328.22031	9.4
351.21893	0.8
358.16144	0.8
369.23483	0.8
545.29724	18.0
546.29889	3.5
563.30841	4.7
564.31567	1.0
566.31091	0.9
619.41797	1.5
697.44806	0.9
855.51044	6.1
856.51282	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	857.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18784	11.0
72.99319	19.2
73.02950	1.5
76.32660	1.3
81.07098	2.1
85.02969	3.0
85.06544	1.4
99.08168	8.3
113.06103	4.7
115.07665	60.7
116.08009	2.4
123.00897	4.4
125.02477	9.5
126.02817	1.8
129.05592	34.0
130.05891	1.4
131.04916	1.7
143.07153	22.2
145.02963	2.2
147.04550	1.5
159.04530	1.9
159.06628	2.8
163.04033	2.2
169.01474	7.2
175.04060	2.5
177.02054	1.5
185.02472	3.2
187.04025	1.5
191.03561	2.4
201.02010	3.8
203.03554	9.3
205.07181	100.0
206.07501	8.2
209.03004	1.4
213.01958	1.8
219.02979	1.7
221.04591	1.9
229.01421	8.7
231.02960	12.2
245.00829	1.9
247.02454	4.2
249.04059	16.1
250.04503	1.7
257.00970	10.8
258.01477	2.3
259.02271	1.4
273.00412	1.9
274.01025	1.3
275.01993	44.0
276.02280	4.9
283.99698	1.8
300.99921	63.0
302.00269	4.9
342.41592	1.3
615.05560	2.0
633.07373	81.8
634.07776	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	857.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14310	5.7
62.75684	6.4
64.57775	7.7
70.59111	6.7
70.59473	16.7
73.80761	5.3
84.35520	5.5
84.47290	5.9
88.98809	7.3
89.02520	5.5
89.35443	6.0
94.25718	6.0
101.02476	5.5
111.24483	6.7
117.86175	5.8
145.28458	6.0
153.09229	11.2
209.11882	16.9
230.84781	6.4
235.08409	10.0
253.09380	15.3
277.21744	100.0
278.22025	8.7
289.18213	13.3
307.19147	44.5
325.20175	16.8
383.76553	6.9
456.88611	6.5
543.28516	9.6
734.41846	8.7
803.49884	28.5
821.51245	11.9
857.48877	15.9
858.47168	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	857.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82447	61.3
67.61035	78.3
70.77433	74.9
70.77761	100.0
77.41453	56.4
78.32864	58.3
98.21844	70.7
135.18753	75.0
382.25903	57.1
391.68118	62.1
451.88614	63.6
468.80246	72.8
514.44519	66.8
830.44958	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24723	11.3
69.25130	37.5
71.01384	12.6
85.00424	11.5
89.02444	15.0
99.92618	9.5
101.02466	16.1
103.01469	14.0
103.10647	6.3
113.02427	7.1
116.92869	58.6
158.72652	7.3
199.13429	100.0
235.08226	12.1
277.21844	40.2
277.24368	7.0
291.19714	17.5
293.21249	40.0
300.87607	6.9
309.20587	19.6
397.13559	31.0
415.14438	9.0
476.09265	7.3
610.07690	7.6
857.47363	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	859.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96922	0.6
71.01389	4.1
77.55946	0.6
80.02683	0.8
80.69841	0.5
81.03465	1.4
83.01416	0.5
83.05018	4.8
83.59258	0.5
84.95150	0.9
85.00443	2.3
85.02961	1.4
87.00886	1.1
88.98815	0.9
89.02442	2.4
95.01424	0.8
95.05042	0.5
97.02969	0.8
97.06606	0.6
101.02459	3.7
102.84979	0.5
109.06593	0.7
113.02443	2.1
113.09744	0.7
119.03553	0.9
120.01209	0.6
125.02464	1.1
125.06075	1.1
135.08200	0.6
139.11243	0.7
141.01997	0.6
141.09232	0.7
161.04591	1.7
163.11270	2.7
165.11528	0.9
165.12828	5.1
166.99878	0.7
167.14461	1.1
169.01410	1.6
171.10358	0.9
181.12404	2.6
191.10838	0.6
193.12317	1.1
195.13979	1.5
209.11842	100.0
210.12170	6.3
211.13446	2.9
212.13593	0.6
221.15492	1.9
227.12914	14.3
228.13261	0.7
235.08221	4.3
240.13666	0.7
247.20653	2.3
253.09299	8.8
254.09477	0.7
259.15594	1.7
263.20108	0.5
273.18668	2.3
281.21201	0.8
291.19684	25.1
292.20007	2.8
300.99887	1.5
309.20737	67.3
310.21106	5.5
363.76025	0.8
381.07883	0.6
445.20889	2.0
501.32718	0.5
527.29065	2.8
545.29620	12.1
546.30267	2.7
619.19537	0.6
683.61475	0.6
686.35828	0.6
719.39923	1.2
720.40393	0.8
737.41302	5.4
738.41644	1.1
755.42999	2.7
756.42596	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	861.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	2.9
70.76941	3.0
70.77271	2.2
71.01366	3.8
88.98838	4.2
96.95971	2.0
101.77670	1.4
102.34614	1.6
104.03567	3.1
107.01435	2.3
111.78199	1.4
123.00896	3.4
125.02461	8.2
129.65501	1.4
132.02188	33.0
133.02966	2.1
134.03781	14.2
147.04486	1.7
149.06128	2.3
160.01669	100.0
161.02162	6.3
169.01430	11.8
171.10307	6.2
175.04016	89.4
176.04330	4.0
177.10091	1.5
178.02715	1.5
191.03357	1.7
193.05058	13.5
209.11838	2.8
225.11270	2.9
229.01460	1.6
253.09250	2.2
273.00323	1.8
275.01813	2.3
291.19507	2.6
300.99783	9.6
302.00092	1.8
309.20819	5.4
453.03568	1.9
490.68445	1.7
513.14117	2.4
819.22961	2.8
861.24573	11.3
862.24744	4.8
864.67072	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	863.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
94.42753	5.6
98.21851	20.9
98.22541	12.1
123.00923	10.2
125.02486	7.9
137.02420	8.3
145.02968	12.1
147.04468	10.5
153.39890	5.8
161.02458	8.7
163.00356	13.1
163.03987	13.0
165.01913	6.4
173.02385	17.5
175.04048	8.5
177.02036	12.6
189.01930	13.4
191.03520	16.4
193.01442	9.3
201.01942	20.3
203.03595	15.3
217.01500	20.1
219.02904	6.6
229.01408	22.9
231.03075	23.5
244.00044	7.0
245.00903	20.3
247.02533	30.9
249.04027	18.2
251.02028	9.3
257.00891	10.4
268.77823	5.9
270.98810	11.7
273.00507	28.1
274.01056	7.5
275.02060	33.4
275.04639	5.5
276.02350	6.7
297.37204	6.1
298.98218	28.4
299.99075	12.5
300.99939	100.0
302.00287	10.5
333.63284	5.9
351.03455	12.4
363.03314	8.5
365.05167	30.0
445.99924	6.3
461.03766	70.2
462.03949	15.1
462.14224	5.7
479.04639	9.8
532.55200	5.9
687.91718	6.0
845.09314	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	863.262
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27033	1.1
83.01414	1.1
90.38717	0.9
107.01398	2.7
109.02987	1.1
120.54612	1.1
121.02966	1.6
125.02470	5.6
131.83177	1.0
135.00912	1.3
140.50328	0.8
151.00409	10.5
161.02496	1.6
162.02284	1.3
163.00385	3.4
169.01454	3.5
174.72166	1.0
178.99904	5.7
179.28645	1.0
226.02827	1.6
227.03522	1.1
229.04988	1.0
243.03035	6.6
245.04526	2.3
254.02493	1.3
255.03015	16.9
256.03265	1.6
271.02469	28.6
272.02927	3.1
283.02493	1.8
284.30847	1.1
300.02768	64.9
301.03528	62.1
302.03891	5.3
321.13956	0.9
433.07788	100.0
434.02704	1.5
434.08221	13.9
684.25684	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	863.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57822	1.7
71.01385	2.3
74.55421	1.5
78.98615	2.2
79.95724	9.2
80.96532	27.3
80.96992	2.9
81.70116	1.5
83.09267	1.6
94.98097	7.5
98.22504	5.6
98.48075	1.6
106.98068	1.9
113.23844	1.6
134.97617	2.6
148.99194	2.6
152.98672	3.2
161.16910	1.8
164.98712	5.3
208.41394	1.7
225.00758	12.4
228.74855	2.2
253.07271	1.6
265.03702	1.5
453.85294	1.8
608.36572	1.7
863.48358	100.0
864.48840	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	7.3
70.11348	5.4
76.17460	6.3
89.50023	5.8
153.09131	6.9
154.04738	5.8
169.68120	6.9
209.11911	16.8
210.12265	7.3
228.89270	7.0
229.94208	6.6
235.08197	8.7
253.09303	12.7
277.21744	100.0
278.22079	11.7
289.18274	8.5
307.19196	38.8
325.20178	12.1
596.56213	6.1
664.75751	6.1
803.49335	18.2
804.50269	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	865.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56474	0.7
69.22782	1.8
69.23212	3.7
76.55738	0.6
79.52289	0.6
81.03461	1.6
82.32718	0.6
83.01395	4.2
93.03453	1.6
93.09715	0.7
95.01368	0.6
95.05057	1.5
97.02965	2.1
97.53318	0.6
99.32600	0.6
105.03484	0.7
107.05041	1.9
108.02177	1.0
109.02970	10.8
109.32835	0.6
110.03239	0.7
117.03481	0.7
121.02956	3.0
122.03738	0.9
123.04518	6.4
125.02460	100.0
126.02789	2.9
131.05054	1.2
133.02960	5.2
135.04558	2.2
137.02460	12.7
139.04028	2.1
146.03806	0.7
147.04517	0.9
149.02437	3.1
150.03214	1.3
151.04016	10.9
154.57512	0.6
157.06459	0.7
157.85930	0.6
159.04500	2.5
161.02460	28.2
161.06104	1.3
162.03159	2.8
163.00397	2.8
163.04028	4.1
164.01184	4.9
165.01944	5.3
167.03584	1.7
169.01479	1.2
173.02542	0.9
173.06145	1.0
174.03287	1.1
175.02530	1.1
175.04013	14.6
175.07545	1.1
176.01147	1.3
177.01955	10.5
177.05612	1.0
179.03522	2.2
181.44920	0.6
183.04613	0.7
185.06061	0.6
187.03989	3.2
188.04811	1.7
189.02016	2.0
189.05511	0.7
191.03438	1.1
193.05119	1.0
199.04016	4.3
201.01898	0.8
201.05611	2.6
202.06461	1.0
203.03502	2.0
203.07135	3.2
205.01559	1.1
205.05107	3.3
211.04030	1.1
213.05620	1.4
214.02716	0.9
215.03459	1.0
215.07138	0.6
217.01762	0.7
217.05074	6.7
219.02936	4.1
219.06654	0.9
225.05647	0.9
227.03561	1.9
229.05086	2.2
231.02901	1.3
241.05035	1.0
243.03000	16.4
243.06636	1.5
244.03539	2.3
245.04523	8.5
245.08154	4.4
246.05063	1.4
253.05055	1.0
255.03021	6.5
256.03769	2.3
257.04660	1.4
261.04080	7.0
269.04611	2.6
270.18436	0.7
271.06134	0.8
273.04117	2.3
281.04608	2.0
282.01663	0.9
283.02472	2.5
285.04211	2.4
287.05640	24.8
287.08865	1.2
288.02881	1.0
288.06030	3.0
289.07236	18.6
290.07611	1.7
299.05624	3.3
315.08826	0.7
329.06546	1.1
339.08792	1.8
341.06616	1.4
363.05109	0.8
387.05051	0.9
395.07684	0.8
405.06107	4.8
407.07712	21.0
408.08023	2.6
413.08881	5.9
423.07101	3.9
425.08838	9.8
426.09412	1.8
435.07260	1.1
449.08743	6.8
451.10257	5.3
525.08331	2.1
543.09406	3.1
559.12463	0.9
561.10590	1.9
569.10889	1.5
575.11945	4.0
576.12695	1.5
577.13641	7.7
578.13788	1.5
587.12323	3.5
588.12842	0.9
695.14185	5.5
696.14471	1.5
713.14893	1.8
739.16028	1.4
865.19196	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	865.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64720	0.7
69.08164	5.5
69.08575	1.7
81.03452	1.8
83.01385	4.5
89.03954	1.1
93.03458	1.0
97.02948	2.2
98.21821	1.6
102.58990	0.7
107.05047	1.8
108.02166	1.1
109.02959	11.8
117.03520	0.9
120.02261	0.8
121.02965	3.4
122.03776	0.8
123.04558	8.0
125.02461	100.0
126.02799	3.7
131.05023	1.1
133.02971	6.2
134.75854	0.8
135.04509	2.8
137.02452	13.7
139.04001	2.1
143.04993	0.9
147.04501	1.5
149.02422	2.8
149.06093	1.1
150.03134	0.8
151.04008	11.1
159.04500	3.2
161.02461	34.6
161.06085	2.3
162.03072	1.6
163.00336	2.3
163.04037	4.7
164.01175	6.9
165.01920	5.0
167.03542	1.5
169.01512	0.9
174.03232	1.3
175.04008	15.7
177.01958	11.0
177.05550	1.9
178.02582	1.0
179.03494	1.6
185.06174	1.0
187.04007	3.3
188.04843	1.2
189.01912	1.6
193.05089	1.3
199.04034	3.4
201.02052	1.0
201.05637	2.2
202.06354	1.6
203.03481	2.9
203.07202	4.0
205.01407	2.2
205.05096	4.2
213.05496	1.2
215.03571	1.1
217.01646	0.9
217.05052	6.9
219.02931	3.0
225.05544	1.3
227.03566	1.9
227.07094	0.8
229.05063	1.7
231.02939	2.3
241.05040	0.9
243.03014	17.2
243.06641	1.6
244.03374	1.7
245.04550	11.4
245.08234	5.9
246.04903	1.1
253.05078	1.2
255.02983	6.3
255.06511	0.8
256.03732	2.7
257.04602	1.4
261.04089	4.8
269.04538	3.6
271.06192	0.8
273.04004	2.1
275.01810	1.0
281.04514	2.3
282.01944	1.1
283.02490	2.0
285.03983	2.4
286.04929	0.9
287.05643	29.1
288.05884	2.5
289.07217	23.3
290.07523	1.6
297.04132	0.9
299.05643	3.3
300.99808	1.2
327.05124	1.2
337.07159	1.4
339.08688	1.5
341.06558	1.1
362.34500	0.9
381.10022	1.4
391.04312	1.3
395.07272	1.1
405.06076	4.8
407.07779	21.8
408.08063	2.2
413.08871	5.5
417.06009	1.1
423.07150	2.9
425.08844	10.7
435.07068	1.1
449.08694	6.8
451.10263	6.9
452.10925	1.6
518.64746	0.9
525.08264	1.4
543.09595	2.5
559.12347	1.5
561.10352	1.5
569.10321	1.4
575.12140	4.4
576.12073	1.0
577.13721	8.1
578.13904	1.8
587.12152	2.7
695.14014	5.7
696.13794	1.1
713.15039	1.6
739.16809	1.0
788.72668	0.9
806.66394	0.8
865.19318	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	865.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55824	0.7
67.01899	1.4
70.45129	0.8
71.26706	1.4
81.03469	1.3
83.01401	3.2
88.75420	0.8
89.03999	0.8
93.03492	1.6
95.01422	1.1
95.05050	1.2
97.02969	2.6
107.05074	1.5
108.02182	0.9
109.02966	12.5
113.42741	0.7
121.03005	1.8
123.04560	6.3
125.02464	100.0
126.02814	2.2
133.02948	5.8
135.04561	2.9
137.02454	13.2
139.04015	1.5
143.04982	0.9
146.03743	1.0
149.02428	3.9
149.06071	0.8
151.04024	9.8
159.04552	3.3
161.02458	28.9
161.06033	1.2
162.03131	3.1
163.00378	2.2
163.04021	4.1
164.01193	5.4
165.01939	5.1
167.03572	2.0
169.01483	2.0
173.06071	1.0
175.04007	14.5
175.07555	0.9
177.01955	12.2
179.03589	2.2
183.04352	1.0
185.06027	1.3
187.04019	5.0
188.04849	1.6
189.01964	2.5
191.03554	1.3
199.04066	3.8
201.05649	1.8
202.06442	0.9
203.03519	1.7
203.07187	5.0
205.05023	3.9
211.04056	1.2
213.05609	1.3
215.03566	1.2
217.05109	6.6
219.03059	3.0
219.06657	1.0
225.05565	1.4
227.03595	1.9
229.05067	1.8
231.02910	1.5
241.05283	0.9
243.03017	17.2
243.06700	1.8
244.03423	1.7
245.04573	12.0
245.08170	4.6
247.06296	1.0
255.03036	6.7
256.03745	2.5
257.04391	1.9
258.92969	0.8
261.04099	4.4
269.04614	2.2
273.04196	1.7
281.04553	1.6
283.02432	1.9
285.04153	2.6
287.05634	27.5
288.06064	1.3
289.07205	21.4
290.07532	1.4
299.05618	2.6
301.07840	0.8
315.08954	1.5
329.06464	1.3
341.06912	1.7
363.05136	1.2
391.04614	1.0
395.08206	1.5
405.06168	4.7
407.07736	21.0
408.08218	3.1
413.08694	6.2
423.07138	5.4
425.08835	11.1
426.09418	1.4
449.08743	6.6
451.10388	6.7
452.11328	1.4
467.09280	0.9
525.08429	2.1
543.09381	3.0
559.12958	1.6
561.10840	1.2
575.11981	3.4
576.12317	1.5
577.13568	9.2
578.13977	2.2
587.12061	2.8
695.14136	6.3
713.14868	2.3
739.16229	2.0
865.19971	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	865.293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	12.1
68.99825	21.6
69.05962	6.6
69.06359	29.4
91.89638	2.8
95.01402	6.2
109.02953	4.3
117.03471	5.4
119.17567	3.1
121.02978	4.6
121.32607	3.3
122.03742	4.6
123.00869	23.7
125.02509	16.7
133.02968	3.9
136.01678	4.8
137.02402	6.6
138.03244	46.7
139.04002	10.5
145.02950	18.1
149.02502	9.4
150.03290	5.0
151.04005	4.2
153.01993	19.3
153.05602	57.2
160.01744	3.7
161.02464	4.8
162.03264	4.4
163.00500	4.2
163.04079	4.4
165.01880	15.4
166.02722	14.5
168.04298	31.4
175.00394	13.8
176.01158	42.3
177.01941	32.1
178.02672	20.7
180.04309	3.6
181.05106	9.3
191.03548	44.3
192.04312	60.4
193.01419	32.4
193.05096	20.6
194.02124	3.6
195.06735	5.1
205.05095	5.3
207.06633	69.9
208.03772	48.9
208.06955	7.3
209.04520	21.0
223.06142	100.0
224.06471	7.7
238.04724	3.7
328.11823	4.1
415.13959	4.8
477.51392	3.5
539.34216	3.6
556.59723	4.3
638.84644	3.7
640.21710	45.5
641.22113	20.1
823.17426	4.3
847.28613	6.8
865.28894	22.5
866.29236	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	865.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41951	1.9
68.98286	15.7
68.98708	8.2
71.01384	20.8
72.99332	2.9
75.00863	2.2
77.10979	2.1
85.02959	5.8
87.00905	2.9
89.02437	11.6
95.01431	3.0
95.30919	1.9
98.22292	11.4
101.02433	11.0
106.06668	11.7
113.02451	6.7
119.03533	4.3
122.06135	8.8
125.28325	2.0
128.97037	2.1
133.32948	2.1
134.06123	28.2
152.07159	5.4
156.19228	2.2
158.42647	2.1
171.10374	2.3
191.96184	2.1
194.06183	2.0
209.11736	2.5
210.07729	3.4
218.08209	4.3
225.10416	2.6
235.08887	3.3
237.10376	4.7
239.11891	2.9
241.09851	4.0
249.06706	4.3
250.07535	2.7
251.08086	3.3
257.12964	2.2
263.08145	4.6
264.09027	2.3
265.09946	16.8
266.10461	3.8
267.11270	2.6
277.10049	2.8
278.10361	2.5
279.07614	3.0
279.11084	3.8
293.09509	2.8
295.10886	2.5
300.11237	4.5
305.09338	3.6
307.10880	3.6
309.08807	5.8
309.12265	3.5
322.09222	2.7
323.10373	9.4
324.11069	4.6
325.11993	7.9
337.12021	5.4
356.14307	3.2
400.13065	3.7
411.14954	2.2
428.16080	3.1
454.17947	3.1
530.20734	2.2
660.36353	2.6
678.22937	3.0
695.22858	2.8
696.24146	31.2
697.24188	6.0
710.25757	11.5
711.24939	3.8
728.26581	4.0
742.28186	12.1
743.27191	2.5
757.31818	3.8
801.29962	84.3
802.30023	21.7
833.32562	100.0
834.32794	26.8
865.34833	22.9
866.35522	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	866.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65253	2.3
84.32467	2.5
91.37410	2.6
93.03465	2.3
95.01402	12.9
107.01420	3.0
122.67461	2.4
123.00900	25.7
125.02461	15.1
133.02940	2.9
136.45374	2.5
137.02483	4.6
139.00446	4.3
141.01903	2.7
145.02972	8.3
147.04556	8.5
157.02983	7.1
159.04680	2.7
161.02429	3.5
163.00417	6.5
163.04036	7.6
165.02054	2.7
166.99896	11.0
169.01463	12.6
172.88626	2.3
173.02448	11.9
175.04001	13.8
176.04391	3.4
177.01994	4.2
185.02477	4.3
189.01906	6.7
191.03520	19.4
193.01459	3.8
197.89857	2.5
199.00333	4.8
200.01237	2.7
201.01907	17.5
203.03500	14.3
205.05132	3.1
209.00929	4.1
213.92418	3.1
216.52892	2.7
217.01430	13.0
219.03030	9.2
226.99852	4.7
229.01439	22.9
229.31451	3.8
229.33487	3.4
230.01897	4.9
231.02925	14.4
232.03500	2.7
244.00388	2.7
245.00925	14.7
247.02512	42.5
248.02911	4.7
249.04140	3.6
250.24835	2.6
257.00958	6.1
261.00235	3.5
263.02060	7.3
273.00427	19.1
275.02063	19.2
276.02322	8.1
291.01501	8.7
298.75290	2.7
298.98489	8.9
300.99951	39.9
302.00327	15.7
335.00299	4.1
484.71103	2.6
587.06714	4.4
603.06573	4.1
605.07709	4.2
613.04742	100.0
613.14459	5.4
614.05298	17.5
631.05804	64.3
632.06006	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10922	0.6
61.98837	100.0
71.25554	1.1
71.25928	0.9
80.46017	0.7
85.11024	0.6
95.75639	0.6
117.03504	1.3
145.02968	3.3
177.91498	0.6
419.70752	0.7
766.37189	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	867.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17402	2.1
70.06484	6.5
84.38231	2.2
90.01757	2.2
106.97437	2.4
114.35405	2.1
117.03486	4.5
119.05056	3.9
123.00919	3.9
125.02483	2.4
130.82899	2.5
133.02953	3.8
137.02448	6.7
137.33194	2.3
145.02963	12.2
147.04523	5.6
148.05615	2.3
149.02475	5.3
157.81079	2.3
159.04610	5.2
161.02452	8.0
163.00397	10.2
163.04034	9.8
165.01979	3.6
169.01372	2.5
173.02480	12.2
175.04015	13.5
177.01913	4.9
185.02423	5.6
187.00385	2.8
189.01941	14.0
190.02776	4.1
190.99773	4.6
191.03532	19.5
193.01392	6.9
200.01294	4.4
201.01950	13.6
203.03494	17.7
205.01428	3.3
209.03815	2.4
214.99953	3.2
216.00757	2.2
217.01443	15.8
218.02052	2.6
219.02965	8.9
221.04567	5.4
226.99857	5.0
229.01410	25.1
231.02975	12.5
237.00401	3.7
242.99414	4.7
245.00952	23.9
246.01497	3.5
247.02484	40.6
248.02859	2.9
249.04057	10.5
257.00989	19.6
258.01566	6.7
261.00400	3.1
270.98901	14.5
271.01520	2.3
271.99588	2.4
273.00427	29.4
274.00848	5.0
275.02026	84.1
276.02328	6.5
278.40240	2.6
283.99698	3.9
291.01498	8.0
298.98364	19.9
299.99075	7.5
300.99930	100.0
302.00363	12.3
319.00864	2.8
333.02441	5.5
393.04581	5.2
417.04337	3.3
435.05719	9.1
544.43677	2.6
683.23676	2.6
684.20422	2.6
745.02838	3.1
755.07507	15.9
756.07483	3.0
763.03821	4.4
781.04962	4.3
787.10400	3.3
795.07349	12.5
813.06970	7.6
814.08301	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	867.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	1.1
67.01879	1.2
69.03448	2.3
69.20174	2.9
69.20602	2.9
73.14541	0.7
75.97382	0.7
79.01897	0.7
81.03485	1.1
83.01405	5.4
93.03457	1.1
95.01395	2.2
95.05010	0.9
97.02959	2.8
98.21816	1.6
107.01391	3.4
107.05043	1.4
109.02962	2.6
111.00892	1.0
121.02946	0.9
123.00916	4.1
123.04533	1.1
124.01676	1.7
125.02457	100.0
126.02805	3.3
129.32231	0.8
137.02457	19.1
138.02786	1.5
139.04071	1.5
145.02853	0.7
149.02448	5.5
151.04030	3.1
161.02469	2.1
164.01160	1.2
165.01912	4.4
166.99866	2.3
167.03514	2.0
169.01440	52.6
170.01785	2.1
181.05130	0.9
183.04494	1.2
189.05669	0.9
193.01440	2.3
196.05531	0.8
197.06116	1.7
199.04086	1.0
207.04492	0.9
209.06122	1.3
209.11554	0.8
213.05583	2.9
215.03574	1.5
217.05042	0.8
219.04482	0.8
223.04062	1.1
224.04817	0.9
225.05603	7.1
227.03548	1.3
229.05167	1.3
233.06117	1.5
235.04068	3.2
235.07547	0.9
236.04800	1.5
240.04366	1.4
241.05045	13.4
242.05537	1.3
243.03101	1.2
245.06261	1.0
247.07800	1.3
248.04665	1.0
249.05580	3.2
250.06168	1.1
251.03569	3.6
251.07146	1.9
252.04295	1.2
253.04991	6.1
254.05577	0.9
257.06085	1.5
260.04959	0.8
261.05701	2.2
262.06372	1.8
263.03516	3.3
263.07126	2.2
264.04147	1.4
265.05118	5.1
269.04465	7.4
273.05569	2.5
274.01382	0.8
274.06326	0.9
275.01923	1.4
275.07184	2.6
277.05069	2.5
278.05682	1.7
279.06662	5.4
281.04630	5.9
283.07675	0.8
285.05606	2.5
286.06320	2.2
287.02097	1.4
287.07187	3.3
288.04709	0.8
289.05133	3.9
289.08679	1.9
290.05804	1.0
291.06613	4.3
292.07336	1.3
293.04630	1.1
293.08273	1.3
298.06177	0.8
299.07239	1.5
301.05148	3.4
301.08636	1.4
302.05801	4.3
303.06683	8.1
303.09937	1.1
304.07059	1.3
305.04736	1.9
305.08176	1.7
311.07111	1.2
313.08670	1.0
314.05707	1.1
315.06656	3.2
316.04010	0.9
316.07285	0.9
317.04471	2.8
317.08255	4.3
318.05133	1.1
319.06195	2.0
321.07611	3.9
327.06689	2.5
328.07382	1.4
329.08231	3.7
331.06073	2.5
333.04047	1.3
333.07568	4.2
335.05609	2.0
335.09225	1.7
336.06317	1.1
337.07416	0.8
339.06683	1.1
341.04245	1.1
343.06210	1.6
345.03995	1.1
345.07721	7.7
346.08350	0.9
347.05548	2.0
349.07108	1.2
351.09039	1.0
355.06198	2.0
356.06799	0.9
357.07773	4.9
359.05658	3.0
361.06992	4.1
365.06540	2.1
369.11505	0.8
371.05417	5.4
371.09650	1.2
372.06305	0.8
373.07111	5.8
374.07614	0.9
375.05142	1.4
377.06989	2.5
379.08542	2.7
383.05417	3.4
389.06641	19.6
390.07095	3.2
397.11264	1.3
399.08676	1.9
401.06680	12.2
402.07126	2.4
407.07941	3.4
419.07797	1.8
423.09000	0.8
441.09796	5.9
442.10645	1.2
465.09702	3.4
471.39838	0.8
483.10831	9.5
484.11230	1.5
491.07971	0.9
509.08862	6.3
510.08893	1.1
515.09912	1.0
527.09894	16.3
528.10303	3.2
545.10919	12.2
546.10950	1.2
559.08881	11.9
560.09192	1.5
563.11932	3.3
571.09052	7.5
572.09601	1.4
577.09985	3.4
679.10974	1.7
697.12097	14.3
698.12268	4.1
715.12946	9.9
716.13428	2.9
834.28009	0.9
867.14264	7.0
868.14172	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	867.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	17.0
61.98843	1.3
69.03319	1.8
69.03723	5.8
88.98817	100.0
89.99156	0.9
92.05055	0.8
95.50665	0.7
98.02486	2.7
98.07964	0.7
98.21774	1.1
108.02181	0.9
116.05002	1.0
117.03506	2.8
119.05035	2.0
120.04655	0.6
121.02989	1.0
122.03757	0.9
123.04531	2.9
124.01765	0.7
124.61365	0.8
125.02463	1.9
132.02231	0.9
133.02986	7.6
133.05305	1.0
134.03792	2.1
135.04532	8.3
136.01666	9.0
136.03931	1.2
142.06665	4.6
145.02966	6.7
147.04555	2.1
148.01636	1.0
148.05328	21.0
149.02455	2.3
149.05725	0.8
150.03259	7.6
151.00439	0.8
151.04030	12.0
160.01700	1.9
160.05310	1.0
161.02464	14.4
163.04004	2.5
164.04796	1.0
165.01945	1.4
165.05573	4.0
166.02722	0.7
174.05562	1.2
175.04089	1.9
176.03542	2.1
178.05121	13.0
178.06540	1.4
179.03436	1.1
180.04343	1.0
181.05060	2.7
190.05101	5.2
191.03586	0.8
193.04977	0.8
207.06721	1.1
218.04663	1.0
225.07739	1.2
253.06042	0.9
253.08675	1.0
263.08054	2.0
297.10126	5.3
312.12445	47.8
313.12781	4.3
328.11935	13.1
338.14017	1.1
345.07635	0.9
356.15079	1.2
369.76871	0.9
444.11722	13.0
445.12146	1.5
651.56934	0.8
675.19269	1.9
867.23779	2.7
868.24048	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	867.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.3
85.86317	1.3
88.98816	4.3
108.02206	5.1
119.05071	3.0
121.02931	3.6
122.03765	3.6
123.00850	1.3
123.04547	10.6
125.02469	2.0
132.68277	1.5
133.05391	1.7
134.03761	4.3
135.04538	16.0
136.01677	32.6
136.07687	2.3
137.02383	1.3
141.40486	1.2
143.99695	1.2
145.02988	3.8
147.04541	4.3
148.01678	2.1
148.04147	3.1
148.05322	49.9
149.02420	6.8
149.05969	2.3
150.03250	21.6
151.00366	7.3
151.04028	41.1
152.04378	2.6
152.93007	1.2
153.05548	1.3
159.04597	2.8
160.05266	7.5
161.06137	2.3
162.05576	1.4
163.04018	4.8
164.04771	2.1
165.01950	3.4
165.05595	12.3
166.02774	12.8
169.01416	1.7
175.07700	2.0
176.03558	3.5
177.04291	3.0
178.05122	28.9
178.06390	1.7
179.03598	1.1
179.05385	1.5
180.04326	1.5
181.05103	18.8
188.02562	1.2
190.05104	10.2
191.03572	2.5
192.06653	2.5
195.06638	2.1
206.04634	1.3
207.06703	1.8
235.35414	1.3
253.08810	1.6
282.05420	1.5
293.08218	4.2
297.07321	2.0
297.10196	11.2
298.10721	3.0
309.94788	1.4
312.12469	100.0
313.09714	2.2
313.12845	9.6
327.12421	1.8
328.11948	35.4
329.12317	4.0
338.14130	7.2
356.15063	8.8
358.13077	2.6
373.12909	2.1
506.18195	2.2
508.19827	2.2
520.19800	1.9
524.19086	1.4
536.19659	1.9
538.21100	1.8
554.20081	2.1
789.47833	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	867.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	3.2
63.60793	1.8
68.39361	1.6
68.99565	1.7
69.24851	3.9
69.25257	10.8
71.01382	9.9
73.02942	2.0
76.09030	1.6
80.02679	2.6
83.01389	2.2
83.05034	7.2
85.02975	1.9
87.00883	3.3
89.02465	10.9
98.21796	3.3
101.02466	7.4
102.81896	1.5
103.17104	1.6
105.43434	1.6
112.98579	2.1
113.02466	2.6
119.03534	3.7
124.88938	1.4
125.02488	4.7
151.58411	1.6
161.04535	2.0
163.11383	4.0
165.12865	4.2
166.65997	1.6
179.05605	2.8
181.05249	1.6
209.11864	100.0
210.12201	7.4
227.12921	20.6
228.13153	1.9
233.17496	1.6
259.15567	6.8
275.02216	2.4
279.50687	1.7
301.00015	5.1
379.12561	3.9
380.29138	1.6
397.13562	24.9
415.14563	6.0
427.09372	1.8
445.65198	1.8
581.78882	1.8
721.61865	1.9
867.22754	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	868.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.21191	1.4
110.45805	0.4
133.74628	0.4
185.49345	0.5
214.51122	0.4
242.28203	0.4
246.72856	0.4
259.48355	0.4
510.56400	0.4
610.73499	0.6
788.53375	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	868.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93288	0.2
61.98836	100.0
70.14188	0.4
70.14558	0.6
80.96558	0.3
103.62663	0.2
197.34290	0.2
228.14830	0.2
228.33777	0.2
524.41522	0.2
842.08582	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	868.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.56781	21.2
69.57193	6.7
83.89540	3.7
135.46167	4.2
214.51463	3.4
256.99756	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	869.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41464	0.5
62.60881	0.5
65.64669	0.5
66.58459	0.4
69.10995	0.5
71.01385	5.5
72.99316	1.5
75.00869	0.7
83.01369	0.9
84.02179	1.4
85.02959	57.1
85.52023	0.5
86.03311	1.4
87.00885	0.7
89.02437	2.4
103.00385	1.1
104.48074	0.5
125.02472	0.5
129.01949	3.2
133.01433	3.2
135.04536	3.0
147.03023	6.3
163.04037	0.5
173.00958	0.6
179.03529	1.6
191.01987	18.3
203.03534	0.8
203.27232	0.5
209.03041	100.0
210.03426	3.0
229.01393	0.7
231.03232	0.5
249.04066	0.9
257.00943	1.0
275.01981	2.3
300.99973	3.0
302.00177	0.5
325.92053	0.5
337.02032	1.0
353.05353	0.9
371.06177	8.3
372.06580	1.2
443.36404	0.5
479.04547	1.3
776.08209	0.6
815.09351	0.7
863.26385	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	869.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10913	0.6
65.00319	2.2
65.03943	0.6
67.01887	1.0
69.07050	5.3
83.01376	0.9
91.01921	0.9
93.03472	9.4
98.22485	1.0
109.02936	1.3
111.00904	10.0
115.05541	2.0
117.03479	13.3
119.05042	100.0
120.05386	4.0
121.02936	1.7
121.57889	0.5
123.04545	0.6
135.00912	2.3
143.05045	40.1
144.05392	1.6
144.09897	0.6
145.02974	40.6
146.03307	1.8
151.00337	1.0
153.01941	1.3
156.05873	2.8
156.06883	0.6
157.06590	6.5
159.04581	0.9
159.08163	14.0
159.09433	1.1
160.08458	0.7
161.06097	9.8
163.03990	1.0
167.05066	0.9
169.06598	1.7
171.04556	0.7
184.05310	1.6
185.06099	35.4
186.06487	2.3
187.04062	4.1
187.07639	1.1
192.84943	0.6
200.41591	0.6
203.07166	11.5
204.07472	0.8
211.07660	7.5
212.08058	0.7
223.07909	0.8
227.07173	1.5
229.05075	41.1
230.05371	3.6
234.50684	0.5
237.09239	12.8
238.09518	0.8
255.02884	1.3
255.06644	16.4
256.06958	1.8
263.10837	2.4
271.02585	4.2
287.10754	0.6
289.08832	0.6
299.05707	3.3
300.02765	5.7
301.03485	4.9
305.11847	23.2
306.12155	2.9
307.09821	16.5
308.10062	2.1
349.10837	51.8
350.11203	7.1
361.69461	0.6
393.09848	39.1
394.10294	5.5
475.08829	7.3
476.09070	1.0
511.45328	0.6
656.05640	0.8
779.66241	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	869.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.7
69.16106	3.6
73.27477	0.5
79.41822	0.5
93.03473	12.0
94.03801	0.6
109.02987	0.7
111.00924	0.6
115.05560	0.6
117.03480	13.2
119.05044	100.0
120.05392	4.2
121.02967	2.0
123.04604	0.7
125.02482	0.9
133.06604	1.1
135.00887	1.3
143.05043	21.7
144.05412	1.1
145.02971	41.6
146.03355	1.9
156.05830	2.2
157.06625	5.9
159.04507	1.1
159.08173	20.8
160.08440	1.0
161.06085	9.1
171.04497	0.9
178.99838	0.7
184.05334	2.0
185.06097	37.8
186.06458	2.4
187.03992	5.4
187.07680	2.9
199.07654	0.8
203.07217	3.4
211.07805	1.0
213.05469	0.6
229.05067	6.5
230.05573	0.8
237.09212	13.4
238.09618	0.9
243.02980	1.5
255.02869	2.7
255.06677	4.3
261.09213	0.7
263.10864	1.6
271.02548	5.9
272.02866	0.9
287.10715	1.0
289.08911	0.9
300.02765	12.5
301.03409	2.8
305.11874	31.3
306.12134	3.0
307.09784	18.1
308.10022	1.6
349.10837	49.0
350.11154	6.1
393.09851	74.2
394.10083	9.1
475.08920	12.8
476.09091	1.1
566.80737	0.7
587.07141	0.5
685.97614	0.6
843.33124	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	869.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	20.0
61.98824	0.3
61.99647	0.2
64.21626	0.1
66.38602	0.2
78.21318	0.1
88.98816	100.0
89.99181	0.9
98.22603	0.4
115.88931	0.1
117.03477	3.2
118.03782	0.2
119.05008	0.6
122.89432	0.2
132.02142	0.6
134.03752	0.3
145.02965	8.6
146.03296	0.3
148.91011	0.3
160.01685	1.7
161.02322	0.2
163.04030	0.5
165.01889	0.3
171.53972	0.2
175.04015	1.4
178.92084	0.2
179.46892	0.1
180.04286	0.2
181.04884	0.2
195.06496	0.2
225.07622	0.2
453.11581	0.2
631.27380	0.2
633.18176	1.3
668.18146	0.2
693.18695	0.3
779.21954	2.6
780.20642	0.5
869.09210	0.6
869.25409	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	869.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	1.2
62.73592	0.4
67.56012	0.4
68.82774	0.4
69.03349	1.8
69.03777	2.4
71.01385	1.5
73.64285	0.5
87.00889	0.5
88.98829	1.6
89.03979	0.7
98.52637	0.5
101.02445	0.7
101.58938	0.4
104.02667	0.6
104.30912	0.5
113.02477	0.5
117.03460	1.3
132.02188	30.0
133.02922	1.8
134.03754	17.5
135.04605	2.0
137.02432	1.1
145.02975	0.7
147.04546	0.6
149.06085	2.2
160.01674	100.0
161.02139	6.0
164.95880	0.4
165.01944	2.7
166.02754	0.6
175.04015	97.4
176.04385	5.7
177.02016	0.5
178.02736	2.3
179.03574	2.4
180.04292	1.0
181.05070	1.2
191.07146	1.6
193.05072	15.3
194.05447	1.0
195.06659	1.7
195.36307	0.4
207.06667	0.8
216.62146	0.4
217.05104	0.7
225.07706	1.8
235.06131	3.1
247.06123	0.6
265.07202	1.8
295.08484	1.0
319.08252	0.7
337.09320	1.5
355.10306	0.7
403.13986	0.6
417.15665	0.9
481.13593	0.8
499.14706	2.5
513.13715	0.7
517.15704	1.2
653.45959	0.5
675.19312	5.2
676.19458	1.6
693.20483	15.3
694.20496	3.5
869.25092	7.3
870.25769	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	869.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	12.4
66.40032	6.3
71.01378	6.7
105.16513	5.0
108.92287	5.9
125.09734	10.2
153.09235	23.4
163.11166	6.6
171.10304	41.2
185.11891	9.1
197.11862	9.5
209.11842	72.1
245.19135	5.6
253.09390	12.0
289.18106	18.8
307.19177	100.0
308.19470	8.0
325.20212	31.6
327.88504	6.4
402.09930	5.5
543.28027	21.0
833.46216	9.5
851.47235	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	869.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17096	0.9
61.98822	4.5
66.54840	0.9
69.03435	1.4
71.01392	6.8
83.05032	2.0
84.02161	3.4
85.02944	2.2
87.00863	1.8
89.02459	5.8
89.13557	1.1
95.01374	1.1
95.04966	1.4
96.96011	6.8
97.02971	2.2
97.06591	7.6
98.21752	3.3
99.04547	1.2
101.02460	6.7
103.95847	1.0
111.08170	1.7
113.02468	3.5
113.09722	1.8
115.07654	1.9
116.92864	10.2
119.03506	1.4
123.00903	3.1
125.02461	4.9
125.09695	1.5
128.03543	1.8
137.09727	1.4
139.00369	1.3
141.09238	1.5
146.04597	3.6
155.84798	1.0
161.04549	3.4
165.12822	3.8
169.01436	4.5
171.10269	18.5
181.12354	3.2
183.13858	2.3
185.11887	1.1
193.12355	8.8
195.13927	3.1
197.11868	4.8
209.11839	2.2
211.13440	6.1
221.11951	1.1
221.15445	1.9
225.14963	12.2
229.14502	2.4
235.08203	5.6
243.16005	5.4
247.20631	4.2
253.09293	16.5
273.18652	3.5
275.02069	2.8
289.18372	1.1
291.19711	43.7
292.20114	4.7
300.99908	3.5
309.20740	100.0
310.21072	10.3
311.22247	1.1
323.22308	6.3
327.21765	6.4
341.23334	83.1
342.23624	9.9
453.03937	1.2
467.03455	1.7
467.53790	2.3
468.04340	2.1
527.28650	1.4
535.90088	1.3
545.29724	17.6
546.29938	2.8
619.37097	1.0
633.43542	1.4
643.09851	1.0
869.53412	5.9
870.52618	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	871.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17257	0.6
66.01582	0.8
68.26371	0.6
71.01385	7.5
71.13902	0.6
71.66502	0.6
72.99301	1.4
75.00862	1.3
82.51345	0.6
83.01393	1.5
84.02160	1.4
85.02956	46.4
86.03288	1.3
87.00857	1.2
89.02431	3.8
103.00346	1.3
125.02474	1.3
129.01932	2.1
132.95093	0.7
133.01445	4.9
135.04521	2.9
147.03012	3.1
153.01909	1.8
169.01492	1.4
179.03383	0.7
191.01985	12.5
209.03032	100.0
210.03354	3.3
228.87874	1.0
242.98494	0.5
275.01923	1.3
359.06256	1.0
371.06100	6.8
372.06345	0.7
569.52112	0.6
583.34991	0.6
619.86530	0.7
747.16754	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	871.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69905	1.7
82.45695	1.8
83.06154	1.7
113.32346	2.1
125.02426	2.5
181.33900	2.0
224.28180	2.1
227.03479	18.6
228.03853	2.8
229.04958	3.1
255.02986	35.0
256.03543	4.1
282.10657	2.7
284.03232	47.2
285.04037	35.5
417.08316	100.0
418.08600	11.7
437.25748	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	871.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99580	26.9
71.01385	8.7
85.00446	16.8
88.30776	6.4
98.21738	19.8
112.98561	21.2
116.92866	18.1
163.11429	7.2
169.01460	13.2
171.10304	11.7
185.11873	10.6
191.14389	7.5
217.11211	8.4
235.08202	12.9
245.19133	16.6
253.09337	30.0
289.18106	61.0
290.18381	11.8
291.19781	41.3
291.22592	7.3
307.19150	85.8
308.19910	10.1
309.20654	100.0
325.16916	7.6
391.76630	8.6
545.29468	12.3
568.81097	7.3
599.39282	9.9
635.58026	8.4
818.03650	8.1
835.48016	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	871.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95493	2.1
61.98841	12.0
69.99625	6.5
71.01372	9.1
78.95917	2.9
82.95422	11.9
83.01385	2.9
83.05031	3.4
85.02950	8.4
87.00874	2.8
87.51511	2.3
89.02440	6.7
96.96024	44.6
96.96967	2.9
97.02963	2.8
97.06620	5.3
98.22073	4.5
101.02444	9.6
113.02402	2.9
116.92841	2.9
125.02457	2.8
125.09711	4.0
137.09721	3.0
153.09232	15.6
155.10860	2.7
161.04521	3.2
163.11299	2.7
165.12828	3.2
169.01465	2.9
171.10284	39.8
183.13934	2.9
185.11838	8.0
197.11781	5.8
209.11832	38.8
210.12143	2.6
211.13387	19.6
221.11769	3.7
225.11301	4.5
229.14499	13.3
235.08200	8.7
245.19008	4.0
253.09261	24.6
275.02005	2.3
279.19797	2.5
289.18076	10.7
291.19705	6.5
297.20898	2.9
307.19199	65.1
308.19562	5.6
309.20847	10.5
325.20224	31.5
326.20639	2.6
327.21762	100.0
328.22165	11.7
344.21640	2.2
525.27521	2.5
543.28314	19.1
545.29248	2.4
561.29163	4.8
563.30640	3.4
635.41339	2.9
784.40875	3.2
853.49268	8.5
854.49664	5.2
871.50427	3.5
872.51636	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	872.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.27589	0.4
71.27945	0.3
79.53528	0.3
88.98867	0.4
89.02484	0.4
99.00822	0.3
117.03474	9.6
118.03867	0.5
119.05033	1.6
132.02223	1.1
134.03770	0.7
145.02968	27.4
146.03300	1.4
151.04054	0.4
160.01671	5.0
161.02379	0.4
163.04047	1.5
175.04025	4.7
176.04428	0.4
180.04486	0.3
187.04195	0.3
193.05130	0.5
227.49069	0.3
322.58643	0.3
463.49777	0.4
487.14835	0.3
503.09726	0.3
537.42181	0.3
633.17993	1.4
645.19116	0.3
663.19440	3.6
781.41583	0.3
809.23096	7.6
810.24066	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	872.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
117.03481	9.9
119.05073	1.7
125.02483	0.5
134.03819	0.8
144.30267	0.4
145.02969	27.1
146.03339	1.2
160.01717	1.1
161.02452	0.5
163.04065	1.5
163.85699	0.4
164.63956	0.4
169.01431	1.0
175.04076	1.5
180.81175	0.5
187.08200	0.5
190.74678	0.4
193.05136	0.7
228.76897	0.6
246.12263	0.4
368.11545	0.5
453.12363	0.8
489.20413	0.5
663.19543	4.0
664.19708	0.7
809.23236	8.3
810.23431	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	873.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55619	13.3
69.37318	12.9
71.27314	25.2
71.41471	14.0
71.67661	15.5
79.53439	13.8
82.28025	14.7
121.79574	16.5
155.97444	14.6
174.12392	17.1
223.77127	15.1
270.03818	16.5
291.19611	45.1
309.20721	100.0
486.00967	15.8
746.48785	17.8
873.48486	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.8
63.68004	1.3
71.27514	1.8
74.11424	1.3
78.95921	2.8
79.95722	4.2
96.96025	100.0
117.03477	33.4
119.05048	6.9
132.02188	12.3
133.02960	1.9
134.03763	11.4
135.04512	1.9
145.02972	80.1
146.03340	3.9
149.06073	2.9
160.01683	45.5
161.02371	3.9
163.04019	4.9
169.01424	1.5
175.04013	37.2
176.04433	2.8
178.02698	2.4
179.03479	1.8
180.58427	1.6
193.05093	8.1
235.06250	1.9
278.43323	1.8
483.12854	1.7
645.18420	3.0
663.19592	6.7
693.20978	8.7
839.24213	21.1
840.24323	4.2
874.64313	1.6
875.20331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76603	0.2
63.78057	0.2
68.96406	0.3
78.95927	1.0
79.95754	3.8
94.98061	0.5
96.96025	100.0
97.95966	0.3
98.21768	0.7
115.87362	0.2
117.03481	1.9
119.05033	1.4
145.02972	7.5
157.42923	0.2
159.04463	0.2
163.04039	0.8
175.04102	0.2
193.01778	0.2
218.99823	0.7
229.16585	0.4
245.43823	0.2
247.02956	0.4
261.00919	0.9
273.00735	1.1
287.02563	0.3
293.40530	0.2
295.06680	0.6
321.04633	0.7
339.05673	0.3
345.02802	0.2
365.03378	0.4
372.11591	0.3
491.06635	0.2
633.18018	0.5
671.13092	0.8
748.45612	0.3
779.22052	0.9
780.22455	0.3
817.16687	2.8
818.16779	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	878.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	3.5
63.16455	1.5
65.64871	1.7
66.23080	1.8
72.46038	1.5
78.34404	1.7
87.54610	1.6
93.03434	1.7
95.01416	1.9
98.22154	13.3
104.30055	1.8
105.03490	2.1
107.05037	1.5
117.03477	7.1
119.05059	3.9
120.08002	1.7
121.02977	2.0
122.38612	1.5
123.00869	2.6
123.15138	1.5
125.02469	2.0
129.03477	2.6
131.01425	2.5
133.02986	8.8
135.04510	2.2
143.01350	1.9
145.02985	14.3
147.00839	3.0
147.04553	7.0
149.02469	3.6
157.02940	3.7
159.00922	2.8
159.04474	3.7
160.42732	1.5
161.02415	14.8
163.00397	5.3
163.04041	12.0
169.01373	1.6
171.00868	4.4
173.02451	12.6
175.03999	7.0
176.01213	2.3
177.01949	8.4
179.03487	2.0
185.02463	3.5
187.00377	12.7
189.01964	21.0
190.02730	4.7
191.03534	24.8
199.00314	2.2
200.01128	1.8
201.01955	13.9
202.99863	1.6
203.03452	9.1
205.01382	2.4
214.02690	2.1
214.99893	12.5
216.00497	3.3
217.01460	24.8
218.01900	3.2
219.03070	10.9
221.04565	2.0
226.99818	3.2
228.99463	2.5
229.01511	21.7
230.02121	2.8
231.03024	9.6
235.02454	4.7
242.99333	10.4
244.00180	2.0
245.00931	31.7
246.01456	3.8
247.02501	44.4
248.02971	3.8
249.04155	7.4
257.00980	9.5
258.01764	2.9
261.00430	14.3
263.01877	3.2
270.02148	2.0
270.98895	31.3
271.99377	2.6
273.00430	39.4
274.00912	3.4
275.01993	24.7
276.02365	2.9
283.99759	2.2
286.98337	5.6
288.99857	2.9
291.01511	13.0
298.98349	30.4
299.98935	8.1
300.99939	100.0
302.00281	6.8
316.99570	1.6
361.46924	1.7
407.06400	2.1
423.05576	1.7
435.05716	1.9
449.03824	3.8
571.74200	1.8
681.07397	1.8
691.05151	2.4
707.04858	5.0
716.48492	1.8
725.06183	9.9
733.02954	5.2
735.04926	16.8
736.04901	3.2
743.02917	2.4
751.04364	24.2
752.04071	4.4
753.05817	7.3
761.01770	2.1
779.03809	11.4
780.04211	2.2
789.30084	2.0
797.04181	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	880.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	10.4
71.15575	1.3
93.31799	1.4
95.01382	2.3
96.95998	3.7
98.21779	5.4
101.04008	1.8
117.03426	3.0
119.05067	3.2
123.00903	3.4
125.02475	5.3
129.03506	2.4
131.05031	1.8
133.02980	3.4
135.04576	2.5
137.02467	4.8
145.02965	8.8
147.04564	6.8
149.02469	2.5
149.96375	1.3
157.03012	2.0
159.04526	6.5
161.02451	6.7
163.00368	4.6
163.04073	6.6
164.01111	2.0
165.05742	1.4
172.01669	1.4
173.02438	8.6
175.04021	10.6
176.01080	1.9
177.01947	6.0
183.27238	1.6
185.02478	5.3
189.01982	11.2
190.02692	4.0
191.03491	16.0
193.01416	3.0
199.00308	2.5
201.01964	13.4
203.03510	14.1
204.04037	1.9
205.05026	1.9
207.67171	1.3
209.00865	2.5
213.01965	1.9
217.01434	14.6
218.02042	3.3
219.03015	8.3
221.04529	5.5
226.99858	3.3
229.01413	22.4
230.02010	3.5
231.03021	16.0
235.02460	1.9
242.99377	3.5
245.00926	21.9
246.01495	2.1
247.02461	40.9
248.02722	2.5
249.04065	12.3
254.99387	1.7
257.00955	17.3
258.01581	3.8
263.02057	3.1
270.98816	10.8
271.99265	1.8
273.00433	34.3
274.00952	5.1
275.02011	62.8
276.02356	6.8
291.01520	8.8
293.03085	4.7
298.98434	18.5
299.99048	6.7
300.99905	100.0
302.00241	9.0
319.01059	4.4
333.02628	1.9
393.04968	2.2
397.56400	1.8
417.04544	4.1
435.05768	5.6
453.06921	3.2
461.03714	3.2
463.05338	2.9
479.04828	1.9
672.05823	2.8
681.03845	1.6
727.07489	1.6
737.06360	4.9
745.02417	3.2
755.07385	17.2
756.07416	3.1
763.04169	5.1
764.04565	3.3
773.08319	2.0
781.05042	14.5
782.05103	3.7
799.06415	13.7
800.06824	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	880.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23804	0.2
63.96242	0.8
64.97038	2.5
66.80611	0.2
72.00911	4.3
75.10952	0.2
75.67509	0.3
79.95743	12.5
80.96526	7.6
80.96912	0.1
81.46955	0.3
93.14796	0.2
95.97624	30.5
96.96028	0.5
110.52930	0.2
115.46782	0.2
115.47587	0.3
118.06647	14.9
119.06994	0.4
119.90441	0.2
125.02429	0.3
134.96745	0.3
147.04546	15.7
148.04868	0.6
149.39084	0.2
162.05658	0.4
164.07182	41.9
165.07556	2.1
169.01465	0.4
182.02814	0.4
196.97319	0.2
198.02318	1.1
222.46535	0.2
226.01765	2.2
228.91402	0.2
244.02863	100.0
245.03168	5.5
247.02054	0.2
275.02072	0.5
300.99857	0.4
320.68756	0.2
335.21545	0.2
635.08862	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	880.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	0.8
67.33966	0.7
70.54516	0.8
70.54849	1.2
71.01377	1.0
82.54839	0.7
82.89451	0.7
83.09103	0.5
85.02950	2.3
93.03467	7.9
95.10173	0.7
98.22500	0.9
99.04491	0.8
107.01397	3.1
111.00881	0.8
111.04529	2.2
111.65787	0.6
114.18539	0.7
125.02457	38.7
126.02763	0.8
126.60078	0.7
130.18057	0.7
137.02441	2.5
143.03485	0.8
155.03534	2.7
169.01437	100.0
170.01729	3.4
173.04556	19.4
174.04865	1.1
191.02058	0.8
191.05617	14.7
193.01514	1.1
282.68408	0.9
307.44852	0.9
318.84451	0.8
325.05661	8.6
343.06699	35.7
344.07080	2.6
347.46021	0.7
495.07828	58.5
496.08206	7.1
552.39691	0.8
665.94702	0.9
779.18909	0.8
867.45288	0.7
893.54291	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	880.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	25.1
70.55099	11.0
77.99288	4.6
101.02435	6.9
104.91525	4.2
163.11203	3.9
165.12915	6.8
181.12328	4.4
220.09399	3.8
247.20767	6.7
253.09207	9.7
291.19659	74.2
292.20010	8.7
301.00220	4.8
309.20718	100.0
310.21033	5.5
448.02115	4.5
472.17828	4.3
816.59991	4.4
900.40662	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	881.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08864	1.1
98.22630	2.4
109.02956	1.6
123.04541	1.2
125.02462	20.5
129.82059	0.9
135.04492	1.0
137.02467	1.3
151.00385	2.2
151.04030	1.9
161.02451	2.6
162.91481	1.0
163.00508	1.5
164.01172	1.4
169.01476	10.2
175.03870	1.4
177.01984	1.6
178.26389	1.0
226.46553	1.1
229.11937	1.5
243.03021	1.3
245.04494	1.2
255.02945	2.5
269.04547	3.7
270.98874	11.4
271.02432	4.4
271.98984	1.3
289.07224	2.4
298.98386	18.0
299.99173	78.0
300.02750	8.6
300.99533	6.8
301.03479	5.9
303.05325	1.2
314.00677	14.0
315.01489	72.7
316.01822	7.6
407.07718	4.7
433.07623	8.0
434.08084	1.5
447.05695	100.0
448.06137	15.6
532.32892	1.2
729.14386	2.0
845.60858	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	881.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.1
81.03475	1.8
83.01379	3.5
89.03984	0.8
90.55567	0.7
93.03489	0.7
95.01407	1.0
95.05050	1.3
97.02976	2.4
105.03461	0.8
107.01439	1.2
109.02969	14.5
115.58851	0.7
117.03464	0.9
121.02966	1.8
123.00930	2.0
123.04519	7.8
124.01654	1.0
125.02462	100.0
126.02804	2.4
131.05034	1.2
133.02985	3.9
135.04530	3.1
137.02460	11.3
139.04037	1.2
145.02995	5.9
146.03711	0.9
147.04576	1.0
149.02420	4.5
151.04022	8.2
159.04547	6.5
161.02467	22.5
161.06078	3.6
162.03030	1.3
163.00389	2.0
163.04059	3.5
164.01225	3.2
165.01926	2.9
167.03511	1.1
168.00728	0.8
169.01442	22.7
170.01828	1.2
173.06062	1.4
174.03276	1.0
175.04007	7.1
177.01917	5.4
177.05663	1.0
179.03500	1.2
182.79555	0.7
183.04550	2.3
185.02391	0.9
185.06102	2.6
187.04005	5.0
188.04767	1.1
189.02007	0.8
189.05637	1.3
193.01457	3.3
196.05377	0.9
197.06117	2.2
199.04097	3.6
199.07669	0.8
201.01924	1.9
201.05623	3.4
202.06267	0.9
203.03479	0.7
203.07126	3.6
205.01509	1.2
205.05074	4.2
210.07011	0.7
211.04025	2.0
212.04713	1.0
213.05597	2.2
214.02756	0.9
215.03586	1.5
217.05104	2.7
221.08249	0.7
225.05647	4.1
227.03488	3.2
227.07216	1.6
228.04350	1.6
229.05113	2.7
231.03044	2.9
231.06473	0.7
237.05547	1.1
239.03584	1.1
239.07246	1.0
241.05070	2.5
243.03021	6.3
243.06648	1.1
244.03693	0.6
245.04544	5.9
245.08177	4.7
247.06192	1.1
253.05086	2.6
255.02968	6.3
255.06593	1.1
256.03888	3.9
257.04541	3.9
259.05960	0.8
267.03079	1.5
267.06854	0.8
269.04565	27.5
270.05045	2.4
271.06155	9.2
272.06702	1.3
273.04044	1.5
281.04541	3.4
283.02563	1.4
283.06027	1.5
285.04083	4.4
287.05664	14.1
288.05939	1.3
289.07230	23.6
290.07477	2.0
297.04126	2.3
297.07498	1.0
299.05573	1.2
303.05206	2.6
309.07700	0.8
311.05612	1.5
313.03522	2.0
321.07730	2.4
339.08896	1.6
344.19272	0.9
363.08905	1.5
381.09705	1.2
383.17099	0.7
389.06543	3.8
395.07928	2.2
407.07739	49.6
408.07986	7.6
415.08206	1.8
419.07852	4.5
425.08871	2.8
431.07660	1.8
433.09238	6.3
434.09689	1.0
437.09012	1.7
439.06888	0.7
441.08276	6.3
442.08813	0.9
449.08820	2.0
451.10483	5.0
541.11560	7.9
542.11792	1.9
552.01825	0.7
559.12860	18.9
560.13214	4.1
577.13800	6.8
578.12323	0.8
601.09888	0.9
603.11365	4.3
604.11572	1.2
702.62280	0.9
711.13391	3.0
712.13361	0.9
729.01630	0.9
729.14624	15.3
730.14490	3.8
881.15326	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	881.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77126	0.8
69.03470	1.0
69.96859	3.9
71.00186	0.9
83.01410	4.0
95.01410	1.2
95.05053	1.5
97.02977	2.4
107.01414	2.4
108.02130	1.0
109.02971	15.9
115.75342	0.9
117.03461	1.1
121.03010	2.5
122.03793	1.2
123.00909	2.7
123.04549	10.5
125.02464	100.0
126.02819	3.2
133.02957	3.8
134.03719	1.2
135.04536	4.6
137.02467	12.3
139.04050	1.1
145.02995	4.7
146.03787	1.8
147.04611	1.1
149.02437	4.7
149.73505	1.0
151.04031	10.2
152.44057	0.9
159.04572	7.2
161.02477	22.3
161.06104	4.3
162.03125	1.5
163.00352	1.2
163.04091	4.7
164.01192	4.7
165.01909	2.6
167.03578	0.9
169.01431	27.3
175.04025	8.4
176.01097	1.0
177.01949	7.1
177.05516	1.2
179.03581	1.7
183.04514	2.3
185.06056	2.5
187.04073	5.5
188.04681	1.3
189.02017	1.2
189.05629	1.1
193.01460	2.7
199.04057	3.6
201.01892	1.3
201.05612	3.5
202.06450	1.1
203.03574	1.8
203.07198	2.9
205.01289	1.4
205.05087	3.7
211.04056	1.4
212.04784	1.4
213.05615	2.5
215.03481	1.7
217.05077	2.7
225.05649	4.5
226.02695	1.4
227.03526	3.9
227.07135	2.2
228.04121	1.7
229.05025	4.9
231.03062	2.9
237.05585	1.2
241.05113	3.5
243.03111	5.7
243.06664	1.5
245.04553	8.3
245.08218	5.9
253.05132	3.2
254.05595	1.4
255.03008	8.5
255.05562	1.0
255.06644	1.0
256.03754	3.5
257.04572	4.6
269.01846	1.8
269.04593	26.9
270.04932	2.4
271.06180	8.9
272.06281	1.3
273.04111	2.6
281.04547	4.3
283.02823	1.1
283.06366	1.5
285.03937	5.1
287.05634	13.4
288.05927	1.3
289.07242	25.0
290.07709	1.5
297.04279	2.4
299.05869	1.5
303.05151	4.1
309.04022	1.7
309.07776	2.5
311.05725	1.7
313.03836	2.2
321.07706	2.2
323.05563	1.5
363.08664	1.5
369.09967	1.1
381.09842	1.1
389.06729	5.0
391.08258	1.3
395.07632	1.8
402.95007	1.0
407.07764	67.4
408.08035	8.8
415.08475	2.1
419.07770	4.0
425.08847	3.5
431.07959	1.7
433.09476	6.8
434.09323	1.1
437.08780	1.9
441.08585	5.5
449.08878	2.1
451.10358	5.6
508.16833	1.2
515.13708	1.1
541.11432	11.8
542.11877	1.9
559.12897	20.1
560.12592	3.5
577.11615	7.6
601.09430	1.7
603.11975	5.1
711.13647	4.5
729.14746	21.8
730.15100	5.7
766.19958	1.2
881.15240	2.2
882.16632	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	881.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96226	1.1
64.55617	0.8
64.97017	3.8
65.00332	2.1
67.01889	1.3
68.99825	2.0
72.00916	5.6
79.95299	1.5
79.95746	17.0
80.96080	1.7
80.96521	10.4
81.95316	1.2
82.96098	1.1
83.01392	5.6
92.18003	1.2
93.03473	1.2
95.01405	2.2
95.97622	43.6
97.97209	2.8
105.03489	1.2
107.01395	4.8
107.05036	0.9
108.02196	1.7
109.02982	5.0
118.05851	1.7
118.06645	21.7
119.06944	3.8
121.02959	1.9
122.03756	1.5
123.00900	13.6
123.03618	1.9
123.04532	33.3
125.02462	54.1
126.02815	2.2
127.77679	1.0
133.02966	1.2
135.04533	0.9
137.02467	2.8
139.00365	2.9
139.03952	1.5
141.01974	1.5
147.04558	20.1
148.04839	5.5
149.02448	5.1
150.03214	4.1
151.00400	27.2
151.04025	97.7
152.04356	4.2
152.46559	1.1
153.01955	98.0
154.02274	3.7
161.02443	4.1
164.01201	1.2
164.07182	50.6
165.07538	14.9
166.99869	1.5
168.00650	1.4
168.99988	1.8
169.01443	35.2
170.01764	1.5
175.04086	1.0
177.01952	3.5
183.03003	1.8
198.02220	1.4
226.01773	2.3
228.83723	1.3
243.03015	1.3
244.02855	100.0
245.03149	31.8
246.02386	8.8
257.04587	3.3
269.04407	1.2
273.00549	1.2
275.05634	2.2
287.05597	6.2
300.99857	1.1
303.05136	90.5
304.05396	7.2
305.06671	3.0
313.05765	1.2
331.04202	1.0
423.09390	20.1
424.09631	2.7
457.07803	55.3
458.08224	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	881.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	1.7
65.24339	0.7
70.57705	0.8
80.02702	0.7
83.01388	1.1
95.42892	0.8
97.76350	0.7
107.01443	4.7
108.02181	1.4
109.02952	3.0
117.72568	0.7
119.01385	0.7
121.02941	4.2
122.77618	0.7
125.02470	4.5
129.68626	1.0
135.00906	1.0
148.01657	1.5
149.02431	1.0
151.00391	17.3
161.02483	0.8
163.00401	4.0
169.01445	1.6
178.99852	9.5
199.04045	1.5
201.05582	1.1
211.03978	2.0
226.02670	1.3
227.03590	3.6
229.05051	2.0
239.03377	1.2
243.02991	9.7
244.03355	0.9
245.04486	2.8
245.39546	0.8
254.02240	1.5
255.02988	28.7
255.05708	1.4
256.03464	1.6
271.02502	50.5
272.02957	4.8
273.03979	1.6
283.02606	2.4
299.01935	1.1
300.02774	100.0
301.03525	84.7
301.07217	1.1
302.03955	6.7
330.67661	0.9
354.98187	0.8
358.74698	0.9
373.11371	0.8
427.00369	0.8
433.07800	71.7
434.08005	7.7
447.09354	73.6
448.09616	9.5
472.01434	0.9
881.97113	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	881.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.1
67.01885	1.2
69.03491	0.7
71.27116	0.8
71.27470	0.7
81.03452	1.8
83.01392	3.7
91.05528	0.6
93.03474	2.6
95.01429	0.7
95.05069	1.5
95.97639	1.2
97.02950	2.2
107.05029	2.5
108.02184	1.2
109.02965	13.0
112.65957	0.7
117.03452	1.1
121.02942	5.3
123.00900	0.7
123.04535	7.8
124.01624	1.0
125.02460	100.0
126.02790	4.2
131.05054	1.1
133.02953	4.9
135.04556	1.3
137.02460	15.9
139.04022	3.2
143.05083	0.7
145.02982	1.3
147.04553	1.6
149.02443	9.2
149.06123	1.2
151.04019	11.4
159.04532	2.9
161.02458	17.2
161.06094	2.0
162.03119	1.3
163.00386	2.2
163.04018	5.1
164.01157	4.2
165.01947	5.8
165.05540	1.3
166.02414	0.6
167.03462	2.3
169.01445	2.7
171.04544	0.8
173.06073	1.2
174.03221	1.1
175.04005	14.5
176.01073	1.1
176.04323	0.6
177.01945	67.5
178.02327	3.4
179.03505	2.5
184.81982	0.7
187.04044	5.7
188.04680	1.8
189.02002	2.8
189.05612	0.8
190.02689	0.8
191.03497	2.4
193.05087	1.3
197.06117	0.9
199.04016	4.6
201.01913	1.3
201.05568	1.8
203.03546	2.5
203.07179	4.9
205.05061	4.3
211.04013	1.2
213.05568	1.5
215.03427	2.1
215.06964	0.6
216.04126	0.6
217.01462	0.8
217.05034	7.9
218.05547	0.6
219.03038	6.6
219.06525	0.9
221.08440	1.0
225.05624	1.1
227.03539	2.0
228.04355	0.9
228.21342	0.7
229.05086	2.9
231.02995	2.1
239.03233	0.6
241.05119	0.9
243.02994	17.4
243.06659	1.0
244.02933	4.2
245.01117	1.2
245.04694	4.0
245.08185	7.0
246.04784	0.8
246.08618	0.7
247.05977	0.7
255.03011	9.2
255.05951	0.8
255.06725	0.8
256.03830	3.4
257.04547	3.1
259.02606	0.9
259.06198	0.7
261.04062	9.1
261.08459	0.7
269.04553	3.5
271.06152	1.1
273.03967	3.7
281.04581	2.3
283.02505	1.9
284.03085	0.8
285.04132	3.2
286.04385	0.7
287.05643	11.7
287.08789	0.6
288.06171	0.9
289.07202	30.0
290.07632	2.9
297.04147	1.1
299.05481	0.8
303.05133	11.7
305.06729	0.9
315.05103	1.9
315.08777	1.6
327.05161	1.6
339.08661	2.9
341.06815	2.5
375.05151	0.8
381.09894	2.2
383.08014	0.8
391.04309	0.9
395.07721	1.7
397.05872	1.0
407.07730	31.5
408.08203	4.9
413.08786	9.0
414.09329	1.2
421.05548	1.4
423.07098	1.8
425.08853	14.4
426.09100	1.6
439.07031	1.1
441.08173	1.3
449.09094	1.2
465.08362	3.2
467.09909	7.6
468.10547	1.2
509.11053	0.7
525.08337	2.3
543.09302	4.8
544.09662	1.1
559.09613	1.1
561.10437	2.6
569.11047	1.2
575.11761	1.0
587.11890	2.9
591.11438	2.1
592.11505	0.8
593.12982	10.4
594.13422	1.9
603.11896	1.0
695.14111	1.9
711.13483	3.4
712.14197	0.8
712.38806	0.7
713.15112	3.3
729.14355	1.7
755.15839	1.8
881.18652	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	881.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.9
65.03957	0.9
69.03450	1.2
69.67858	2.4
69.68269	1.5
81.03461	1.3
83.01388	4.4
93.03474	1.8
95.01390	1.2
97.02976	1.8
107.05038	2.1
108.02203	0.8
109.02963	16.1
120.02013	0.8
121.02986	4.0
122.03684	0.8
123.04543	7.6
125.02461	100.0
126.02788	3.4
131.05045	1.5
133.02972	5.7
135.04543	2.8
135.84227	0.7
137.02449	15.2
138.75575	0.7
139.04042	3.1
145.02931	2.0
147.04533	1.0
149.02466	7.1
150.03235	0.9
151.04019	14.0
152.91093	0.9
153.61736	0.8
159.04572	3.7
161.02452	23.9
161.06082	3.2
162.03101	1.5
163.00401	3.7
163.04066	3.9
164.01135	4.4
165.01958	5.1
167.03496	1.9
169.01463	10.5
173.06084	1.2
174.03340	1.2
175.04013	13.8
175.07619	1.0
176.01123	1.3
176.04482	1.0
177.01953	40.3
177.05504	1.1
178.02301	1.4
179.03464	1.9
183.04500	1.5
185.06152	1.5
187.03998	5.6
188.04694	1.1
189.01910	2.0
189.05586	1.1
191.03488	1.5
193.01437	1.1
193.05109	1.0
197.06041	1.5
199.04018	6.3
201.01984	2.1
201.05574	4.2
203.03487	2.6
203.07153	2.8
205.01401	1.4
205.05066	4.7
211.03999	1.5
213.05522	1.5
214.02782	1.6
215.03514	1.6
217.01425	1.1
217.05075	8.9
219.03040	3.6
225.05658	2.3
227.03441	3.3
227.07143	1.2
229.05042	3.6
231.02954	1.9
241.05019	1.8
243.02986	25.3
243.06647	1.6
244.03407	2.1
245.04510	7.9
245.08188	4.5
253.05016	1.2
255.03006	6.2
256.03659	3.3
257.04611	1.9
261.04025	8.5
267.03043	1.0
269.04596	12.3
270.04904	1.7
271.02979	1.0
271.06131	4.6
271.32196	0.9
273.04034	1.8
281.04498	3.0
282.01657	1.6
283.02539	1.9
285.03973	4.3
287.05637	14.2
288.06012	1.6
289.07214	22.5
290.07593	1.5
295.06168	1.4
297.04321	1.4
299.05560	3.2
300.06357	0.9
303.05127	10.7
304.05405	0.9
327.05066	1.5
341.06863	0.9
363.05157	2.2
372.77878	0.8
374.04727	0.9
379.08185	0.9
381.10187	1.1
387.04739	1.1
389.06635	1.8
395.07529	1.1
405.06229	6.0
407.07718	35.5
407.13116	1.9
408.07986	3.8
423.07425	4.8
425.08984	5.9
429.08295	2.7
433.09302	3.2
441.08234	2.3
449.08435	1.1
451.10522	8.0
455.51590	0.8
465.08267	2.9
525.07922	2.4
541.11267	3.4
543.09436	4.5
544.09729	1.1
553.26135	0.9
559.12958	6.7
560.12500	1.0
561.09906	0.9
577.13983	6.6
578.13959	1.6
591.11047	1.9
603.11298	2.9
638.64960	1.0
640.92719	0.9
695.14124	6.0
696.13855	1.4
711.13696	2.0
729.14545	5.3
730.15039	1.5
843.72113	0.9
881.18414	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	881.2516
Annotation	Smilaside E
Peak:m/z	Relative Intensity
61.98824	1.1
69.15644	4.8
69.16051	1.6
70.60459	0.7
71.01369	1.2
87.00898	1.1
97.55319	0.7
101.02440	1.1
117.03478	43.8
118.03805	2.2
119.04253	1.3
119.05049	12.5
121.03013	0.7
125.02479	0.8
132.01237	1.5
132.02187	23.4
133.03058	3.9
134.03770	15.9
135.04501	3.0
137.02467	0.7
139.80402	0.7
145.02971	100.0
146.03300	4.9
149.06058	2.3
159.12692	0.6
160.01677	74.9
161.02444	15.0
163.04033	8.8
164.04315	0.9
169.42062	0.7
175.04021	69.2
176.04446	3.8
177.05609	0.8
178.02742	1.1
179.03465	2.2
191.07129	1.2
193.05075	11.0
194.05429	0.8
217.05080	0.7
235.06200	2.8
303.03864	0.7
307.08408	1.1
337.09161	1.8
391.51547	0.7
483.13220	2.0
498.61057	0.8
499.14063	0.8
645.18622	2.9
657.17706	0.8
663.19733	2.8
675.19171	1.3
687.19324	2.4
693.20111	1.3
705.20343	11.3
706.20441	2.0
735.21442	4.5
736.22943	1.0
737.58258	0.9
791.96466	0.8
821.23303	3.6
822.23138	0.9
839.23456	3.7
840.23804	1.1
881.25317	13.3
882.25549	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	881.2516
Annotation	Smilaside E
Peak:m/z	Relative Intensity
61.98837	14.0
70.62497	0.9
71.01376	1.3
78.28077	0.9
83.01393	1.4
89.03991	1.0
93.67098	0.9
101.02469	1.1
117.03483	40.8
118.03792	1.3
119.05048	15.0
125.02506	1.4
132.02184	25.2
133.02946	4.0
134.03755	17.8
135.04550	2.8
145.02971	100.0
146.03302	4.7
149.06079	3.2
159.04503	1.0
160.01678	74.5
161.02451	9.3
161.06107	0.9
163.04012	9.8
175.04022	63.8
176.04457	3.0
177.05731	1.0
178.02786	2.4
179.03537	3.1
191.07233	1.7
193.05064	11.2
207.06636	1.1
235.06091	3.0
289.07321	1.6
295.08179	1.3
307.08273	1.2
337.09317	1.3
441.21463	1.1
483.12885	4.3
484.14017	1.4
645.18091	3.6
663.19556	2.4
664.19659	1.2
675.19104	2.1
687.19464	2.1
693.20221	1.1
705.20068	9.4
706.20349	2.8
735.21387	3.7
736.22113	2.3
821.23047	4.8
822.23529	1.6
839.23541	2.9
845.70697	1.2
881.25232	10.7
882.25232	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	881.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	15.3
71.01394	25.4
72.99303	10.9
75.00882	28.1
83.05035	8.7
85.02956	10.7
87.00887	23.6
89.02466	9.5
98.21818	10.1
98.22478	7.3
101.02438	13.5
109.03004	6.1
113.02464	5.3
115.00386	38.8
123.04551	5.8
123.16956	3.1
125.02459	6.0
135.03053	5.2
148.05278	3.4
163.11264	4.8
169.01453	5.8
169.04979	3.7
171.10291	27.4
175.02516	60.4
176.02808	5.8
197.11870	36.0
198.12086	3.7
204.44119	3.4
209.11870	100.0
210.12218	6.8
227.12862	15.0
239.12958	8.2
253.09360	5.9
267.12372	4.0
285.13373	7.8
326.76355	4.0
333.65421	3.5
407.19412	3.6
451.02536	4.8
485.08597	3.5
521.22565	6.8
541.99329	4.8
627.96722	3.7
713.33954	12.7
731.34991	36.8
732.35089	10.6
761.36053	4.5
803.36963	8.5
849.37415	27.7
850.37469	5.3
881.39661	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	882.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98551	0.1
63.21123	0.1
69.49043	0.1
95.05930	0.1
98.21745	0.3
117.03473	0.7
118.03848	0.1
119.05027	0.3
132.02177	1.0
134.03748	0.7
145.02954	1.3
146.03345	0.4
155.03543	0.2
158.14482	0.1
160.01672	3.0
161.02136	0.4
163.04132	0.2
175.04018	3.6
175.05495	0.2
176.04428	0.4
193.05109	0.5
248.68242	0.1
350.20322	0.1
369.16309	0.1
559.16998	0.1
706.20587	0.2
777.22540	0.3
813.89020	0.1
819.23462	1.0
820.24554	0.2
882.25995	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	883.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	5.8
68.96121	27.3
87.74631	2.4
103.00388	92.7
117.03484	38.9
119.05047	12.1
145.02985	100.0
146.03278	7.5
148.85727	3.0
160.01686	3.4
163.04015	7.1
179.97697	2.9
633.17908	12.7
779.21973	26.7
780.22723	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	884.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.39944	0.3
71.01375	0.4
98.22530	0.9
117.03484	12.7
118.03850	0.5
119.05044	3.5
120.57838	0.2
125.02438	0.3
145.02971	33.4
146.03325	1.5
149.02484	0.3
150.03326	0.8
151.03992	0.3
163.04019	2.5
165.05605	0.4
173.06154	0.3
185.09741	0.3
289.07288	0.4
294.88000	0.3
438.36050	0.4
453.11917	0.5
675.19360	2.1
821.23059	10.1
822.23224	3.0
904.08777	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	884.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.55098	0.2
70.67268	0.2
71.03023	0.3
71.03359	0.4
79.92994	0.2
79.95786	0.2
80.96544	0.4
94.32956	0.2
103.92825	0.2
118.62002	0.2
512.07947	0.2
595.07056	0.2
884.46613	0.2
885.47021	0.8
896.69165	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	884.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.07901	0.3
66.47039	0.3
71.20385	0.5
72.98235	0.3
74.18271	0.3
74.80820	0.4
80.96543	0.7
111.74496	0.3
116.92860	0.5
264.68863	0.3
705.92072	0.4
775.31354	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	884.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.11380	0.5
70.26131	0.5
71.20176	0.7
84.01586	0.5
87.00925	0.6
111.71716	0.5
116.92910	1.2
240.15329	0.6
323.77075	0.6
324.20251	0.5
355.10159	0.5
885.47015	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	885.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91993	0.6
68.99837	0.7
71.01395	6.2
72.99326	1.1
75.00892	0.8
84.02172	1.8
85.02959	58.9
86.03286	1.9
87.00871	1.1
89.02454	2.5
98.22577	1.0
103.00354	1.3
129.01944	2.9
133.01431	3.6
135.04547	4.2
147.03012	6.7
169.72455	0.6
179.03523	1.8
191.01991	17.0
192.02318	1.1
209.03040	100.0
210.03340	4.8
353.04752	0.7
371.01941	0.9
371.06238	9.8
372.06226	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	885.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.9
61.99970	0.5
69.03439	0.7
70.22614	0.5
71.01389	12.1
72.99300	1.2
73.02943	1.4
79.95778	0.5
80.02673	1.1
81.03454	2.0
83.01394	1.8
83.05025	4.9
83.46705	0.4
84.02167	0.7
84.05299	0.5
85.02944	3.0
87.00875	3.4
87.60126	0.4
89.02454	11.5
89.59171	0.4
95.01395	1.4
95.05026	0.7
96.44218	0.4
97.02984	2.0
101.02457	8.6
104.23018	0.4
105.03191	0.4
109.02960	0.4
109.06613	0.5
113.02451	5.6
119.03521	4.5
124.89320	0.4
125.02467	5.9
125.06082	0.6
126.02812	0.5
131.03491	0.9
133.05113	0.4
134.89534	0.5
135.08142	0.5
142.70447	0.5
143.03494	2.8
145.10265	0.4
149.04683	0.4
161.04582	2.9
163.11337	3.8
165.12918	2.0
165.80017	0.5
167.03508	0.7
169.01393	0.7
179.05638	4.2
190.70079	0.5
191.10733	0.9
199.06097	0.6
209.11844	100.0
210.12169	6.5
211.13483	0.4
217.07181	0.7
221.06731	1.5
227.12891	15.4
228.13301	0.8
235.08257	5.3
245.43314	0.6
251.12953	0.8
253.09357	1.0
277.21750	44.2
278.22107	4.0
287.07745	1.4
291.23486	0.6
305.08661	2.0
309.20956	0.5
323.09921	0.7
341.92575	0.4
379.12521	4.6
397.13538	36.2
398.13843	2.4
415.14542	9.9
416.14951	0.8
417.53510	0.5
464.67032	0.4
559.69775	0.4
600.20697	0.5
607.25708	1.2
610.57910	0.4
885.48193	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	885.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71737	2.0
71.01391	13.9
71.27154	3.2
73.02939	2.9
81.03458	2.0
83.05006	2.8
85.02950	5.0
87.00868	3.3
89.02454	14.7
89.37168	1.6
101.02489	9.4
113.02467	4.1
119.03518	2.7
125.02425	6.3
143.03386	2.4
161.04535	2.5
163.11259	2.7
165.12878	2.7
179.05659	2.2
188.38036	2.0
188.59216	1.9
205.25488	1.7
209.11845	100.0
210.12227	4.5
227.12866	11.3
235.08208	4.4
277.21738	37.1
278.21954	3.1
379.12567	2.1
397.13608	27.3
398.14124	3.1
415.14655	4.2
459.02216	2.0
482.27100	2.0
621.74554	2.0
636.87640	2.2
811.75287	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	885.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.1
69.03455	1.0
69.69540	0.5
69.69817	2.8
71.01388	17.4
72.63053	0.5
72.99306	1.6
73.02962	2.5
80.02673	1.3
81.03466	2.2
83.01380	1.9
83.05029	5.4
84.02155	0.7
85.02958	4.2
86.48717	0.5
87.00872	4.0
89.02454	16.7
95.01396	1.1
95.05063	0.8
95.87199	0.5
97.02937	2.6
98.22450	0.7
99.00879	1.1
101.02458	13.3
101.07462	0.5
111.00832	0.7
111.04504	0.9
113.02470	7.8
115.03995	0.7
119.03519	4.5
125.02455	6.4
125.06124	0.7
131.03499	1.0
135.08121	0.8
143.03506	2.2
161.04570	3.3
163.11292	4.1
165.12927	2.6
179.05638	4.1
191.10904	0.8
198.32552	0.6
209.11852	100.0
210.12158	5.7
221.06583	1.6
227.12917	10.6
228.13292	1.0
232.94382	0.6
235.08200	4.9
253.09196	0.6
263.07666	0.7
277.21756	50.4
278.22137	4.8
287.07806	1.5
305.08804	1.7
323.09830	1.0
379.12473	3.2
397.13538	29.9
398.13770	3.2
415.14624	8.2
416.14728	1.2
675.35651	0.7
694.42535	0.6
885.47363	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	886.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06673	1.1
69.38167	6.4
71.01377	1.3
77.56512	1.0
85.02969	1.2
87.00887	1.2
95.01355	1.4
97.02962	1.4
101.47036	1.0
107.01404	6.5
113.02490	1.1
123.00913	4.6
125.02460	66.2
126.02779	2.8
133.54581	1.0
136.98773	1.4
140.01181	1.3
168.00766	2.6
169.01440	90.8
170.01808	4.0
191.03609	1.3
193.01437	2.2
211.02487	9.2
235.09692	1.3
239.44954	1.4
241.03435	1.5
241.48199	1.2
271.04553	3.2
295.04736	1.7
308.07785	2.5
313.05759	4.3
329.18707	1.3
353.98941	1.5
387.27179	1.2
423.05621	1.3
465.06802	4.3
483.07733	6.1
635.08929	100.0
636.09283	16.7
721.14117	1.2
886.76331	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	886.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.0
68.01425	1.2
69.21199	3.9
69.21604	1.3
71.01390	3.2
73.02902	1.0
83.01398	1.7
85.02951	1.2
85.23776	0.6
91.06772	0.5
96.96014	0.6
98.02464	0.6
98.21856	1.3
98.22453	1.3
99.00832	0.6
99.04530	15.4
100.04840	1.1
101.02435	4.1
106.97757	0.6
107.01399	1.7
109.02960	1.7
113.02451	1.4
121.02960	2.4
123.06672	0.6
125.02452	10.9
130.06549	0.7
132.04587	0.7
135.00844	0.6
139.66521	0.6
143.03519	1.4
147.04536	2.8
148.01633	1.3
151.00378	13.1
151.44843	0.6
161.04602	5.2
163.00394	2.6
174.05659	0.9
178.99857	5.4
187.04007	0.7
188.05666	1.2
190.99974	0.7
203.05673	0.8
211.04053	1.3
227.03513	2.1
228.61052	0.7
230.06749	3.9
239.03333	0.7
243.02951	5.0
244.03300	1.0
245.04561	1.6
254.02106	1.6
255.03004	18.7
256.03397	1.5
271.02509	34.3
272.02969	3.6
273.04001	1.7
276.08795	3.7
283.02542	1.5
294.09778	1.2
300.02774	60.9
301.03531	49.0
302.03879	3.1
336.11053	3.9
394.15247	1.5
438.14026	10.9
439.10025	0.8
447.09363	100.0
448.09741	13.7
782.97485	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	887.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	31.3
68.99569	15.3
71.01378	20.4
72.44107	12.7
85.00445	23.0
95.17152	12.9
96.96002	14.7
116.92872	83.6
122.34177	12.9
125.02460	16.5
169.01482	16.1
171.10350	15.1
209.11868	100.0
215.73486	11.7
253.09425	19.0
255.51091	12.8
277.21719	20.7
289.18069	31.5
291.19647	18.2
300.99780	20.9
307.19153	99.6
309.20822	18.5
325.20117	25.4
331.91629	11.7
375.64960	12.3
379.11023	12.6
397.13345	14.9
535.20020	13.9
543.27869	26.9
624.12811	17.3
833.46967	22.7
887.45319	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	3.6
70.58330	2.7
70.58661	5.4
71.01385	9.5
73.02921	3.0
85.00445	7.5
85.02926	3.8
89.02446	4.4
95.01424	3.0
96.32148	2.3
96.96021	5.3
97.06526	2.6
99.92596	11.2
101.02440	7.9
113.02451	5.0
116.92116	3.4
116.92883	54.9
123.00882	2.9
125.02539	5.8
125.09733	5.6
153.09215	12.1
157.48943	2.6
163.11215	2.9
169.01366	5.8
171.10298	26.5
185.11856	7.5
191.14363	3.4
197.11781	4.3
201.11363	4.0
209.11815	29.0
210.12267	2.6
211.13365	3.5
227.12836	2.8
235.08266	9.3
245.19098	8.1
253.09375	19.6
289.18127	44.9
290.18616	5.7
291.19690	9.4
300.99908	4.3
305.17709	8.6
307.19159	100.0
308.19534	17.1
309.20618	16.5
325.20215	27.5
419.18164	3.0
520.69476	3.6
525.26971	5.6
543.28027	16.4
544.28540	4.1
559.38440	3.0
723.38965	4.4
753.39996	7.4
764.39618	6.7
782.39746	3.4
815.45392	6.6
816.45502	4.1
833.46796	25.1
834.46741	8.7
851.48370	13.1
852.48566	5.5
887.45197	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	887.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	100.0
64.80037	6.5
80.96534	13.1
88.66538	7.1
117.96565	8.4
169.92435	6.5
187.08737	7.6
209.11819	19.6
260.40503	7.9
289.42587	7.6
291.19791	15.2
308.52744	7.5
309.20737	64.5
323.22333	76.6
324.22552	8.5
545.29681	14.2
851.51740	18.7
852.52374	10.4
887.47919	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65344	0.2
81.03455	0.3
90.26292	0.2
97.02965	0.6
107.01450	0.3
108.54770	0.2
109.02959	1.0
123.00912	0.3
123.04536	1.0
125.01534	0.6
125.02457	11.6
126.02804	0.5
133.10173	0.3
137.02467	1.0
145.02982	0.4
149.02449	0.4
151.03984	0.6
161.02411	0.4
161.06013	0.4
165.01921	0.3
167.03558	0.3
169.01436	15.4
170.01729	0.5
177.01878	0.3
187.04025	0.4
193.01375	0.6
203.07143	0.6
205.04984	0.5
214.99858	0.3
228.07274	0.3
229.20216	0.4
242.02168	0.3
242.99280	1.4
245.04482	0.3
245.08064	0.5
258.01740	2.2
270.98865	20.7
271.06082	0.8
271.99292	1.5
283.99677	3.6
284.02802	0.4
285.00412	6.8
285.03674	0.3
286.01193	4.3
286.04596	0.4
289.07230	5.7
290.07312	0.5
293.89764	0.3
297.00226	0.6
298.98349	34.7
299.98901	5.4
300.99750	0.7
303.05255	0.5
312.96301	0.6
312.99927	10.3
313.03464	0.6
314.00705	49.4
315.01129	4.3
316.06107	0.3
331.04617	0.3
399.45102	0.3
441.02289	0.4
441.08347	7.1
442.08661	1.0
447.05713	100.0
448.06049	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	889.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	2.0
71.26609	1.8
83.01404	4.0
93.03470	4.1
95.01391	1.9
97.02966	1.7
100.98840	1.8
107.01396	1.8
109.02961	15.3
111.00926	2.1
117.03444	1.9
121.02998	12.6
123.00904	4.8
123.04567	9.0
124.01611	1.8
125.02465	100.0
126.02798	5.9
132.02235	1.9
133.02959	7.3
135.04550	2.8
137.02483	18.4
137.91321	1.6
139.04051	3.6
147.04529	1.6
149.02481	8.3
151.00375	1.8
151.04016	5.8
159.04517	3.4
160.01659	3.8
161.02461	54.1
161.06062	2.3
162.03224	8.1
163.00409	13.3
163.04071	4.1
164.01160	12.7
165.01947	24.0
167.03484	3.5
169.01418	17.0
171.04556	2.0
173.02425	2.6
174.03246	3.5
175.00206	1.8
175.03993	26.2
176.01189	9.3
176.04384	2.1
177.01924	22.7
179.03558	2.9
187.04022	4.1
189.01993	1.8
189.05444	1.5
191.03529	2.4
197.06155	3.3
199.04062	9.8
200.04581	2.1
201.01923	4.4
201.05554	4.2
202.99944	2.0
203.03461	4.4
203.07178	3.3
205.01437	6.1
205.05022	4.7
209.06094	2.6
211.02393	3.1
211.04153	4.0
213.05536	4.9
214.02460	2.2
215.03572	2.7
217.05046	12.1
218.02222	2.3
219.06651	3.1
225.05611	7.7
227.03523	5.1
227.07059	1.9
231.03011	2.8
239.03349	1.9
240.04256	2.6
241.05106	10.8
243.02937	7.7
243.06641	5.5
245.04579	5.2
245.08098	2.4
253.05066	6.9
255.03047	12.5
255.06752	2.8
256.03653	3.4
257.04572	3.4
265.05042	2.0
267.03049	4.0
269.04575	26.1
270.04907	2.0
281.04590	9.2
283.02536	4.2
283.06100	5.5
284.03293	3.3
285.04059	8.3
287.05707	19.1
289.07172	8.2
297.04013	17.9
298.04678	6.6
299.05704	1.8
307.06256	3.6
308.03076	3.3
309.04086	5.3
313.05618	2.0
319.06046	3.7
325.03574	4.0
327.05060	6.2
328.05148	2.0
331.06741	8.1
361.07114	2.0
371.09860	3.6
387.04807	2.8
388.05759	2.9
407.07623	6.6
415.03912	2.4
431.07486	3.7
433.09305	3.2
446.41724	1.8
448.07764	2.3
449.02499	3.3
449.08813	65.9
450.09021	9.1
471.10797	2.2
481.10059	2.7
539.09863	15.2
557.10657	3.7
611.10529	12.0
612.10736	4.8
737.14203	7.4
738.14447	2.6
763.15277	84.7
764.15643	16.9
889.18671	19.9
890.18646	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	889.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27396	13.5
68.96011	47.6
68.96428	100.0
99.67041	14.8
100.03268	14.3
115.65573	14.0
116.92896	68.3
118.38615	15.9
120.41011	12.6
165.56482	17.9
189.29860	12.9
209.11794	14.1
307.19165	31.0
307.36319	14.2
309.20776	26.5
325.20496	16.4
396.35022	15.1
601.72052	15.3
835.49756	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	889.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93077	0.7
61.98824	1.2
69.80789	2.4
69.81216	1.4
73.02953	0.9
87.00858	0.9
89.02441	0.7
90.74452	0.6
99.92600	13.6
114.03223	0.6
116.92876	100.0
116.97250	0.8
117.01951	1.9
117.92892	5.2
119.32414	0.7
171.10178	1.0
197.11848	2.6
209.11746	0.8
211.13467	0.9
227.12885	3.0
229.14436	1.9
235.08124	0.9
253.09389	2.8
289.18097	1.0
291.19684	2.2
307.19186	3.6
309.20786	8.7
316.08734	0.9
385.71902	0.9
427.62497	0.8
534.80902	0.8
543.28235	1.5
545.29803	1.8
558.04718	0.8
581.86047	0.8
725.41382	1.1
737.42236	1.1
755.41840	1.9
770.89886	0.9
835.47424	2.4
836.46252	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	891.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	15.9
71.26620	0.8
71.26978	0.9
81.03459	1.1
83.01402	3.3
84.24359	0.6
89.00343	2.0
91.01877	0.9
93.03487	1.0
95.05025	1.1
95.61300	0.6
97.02964	2.0
102.27335	0.6
106.00610	2.9
106.37282	0.6
109.02972	7.6
111.00910	0.8
115.00393	7.9
117.60990	0.7
121.02971	42.5
122.03313	2.1
123.00904	2.9
123.04535	6.0
124.01648	0.6
125.02464	45.8
126.02720	1.0
127.00386	1.1
133.02988	3.0
135.04613	0.9
136.98845	1.0
137.02464	9.2
138.03226	2.5
139.04008	0.8
145.02879	0.8
149.02441	1.7
150.03238	0.8
151.04008	7.0
153.05588	31.7
154.05925	1.9
159.04457	1.5
161.02460	11.8
161.06079	1.8
162.03120	1.1
163.00410	1.0
163.04053	1.2
164.01166	1.6
165.01933	3.0
166.99915	1.8
167.03543	0.7
169.01459	2.7
175.04004	5.2
175.07603	1.0
177.01923	3.7
179.03528	1.9
182.02238	7.1
187.04051	3.2
188.04721	1.1
197.04568	100.0
198.04900	5.1
202.06340	0.8
203.07184	4.0
204.07457	0.8
205.01373	1.6
205.05107	3.7
211.04031	1.0
215.03563	0.8
227.03621	1.0
229.05144	1.5
243.02904	3.0
245.04562	2.9
245.08191	7.4
247.06174	0.8
255.03014	5.2
256.03494	1.4
257.04584	0.9
260.04010	0.7
269.04617	1.8
271.06091	1.5
273.04089	2.1
281.04694	1.8
285.04034	2.5
287.05615	6.4
288.05936	0.8
289.07202	31.8
290.07651	3.4
299.05646	2.5
310.27652	0.8
313.05722	5.4
339.08868	1.4
381.10162	0.9
389.06848	1.1
407.07739	34.9
408.08228	4.3
425.08823	25.7
426.09189	4.0
441.08078	0.8
451.10352	8.7
452.10611	1.3
559.12665	1.6
577.13629	14.0
578.13763	2.5
739.18390	0.9
754.67749	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	891.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02985	0.5
71.26280	0.5
71.26658	0.5
72.00898	1.7
74.02477	0.7
83.01373	0.6
84.00923	0.7
87.44525	0.5
92.05073	36.6
93.03461	1.5
93.05404	1.1
96.36181	0.5
98.02489	50.8
99.02823	1.2
107.01429	0.9
110.29809	0.4
111.03283	3.0
112.04067	5.1
119.05051	7.3
120.05298	0.6
123.00875	0.4
124.01674	0.8
125.02467	5.6
130.06642	13.9
131.05040	1.8
131.06961	0.7
135.04588	0.5
136.04059	23.2
137.02440	1.3
137.04442	0.6
144.04579	0.5
145.02945	0.7
146.06120	1.1
151.00354	2.6
151.04121	0.5
152.01210	0.7
156.03069	1.1
157.06583	3.0
159.04504	0.5
161.02460	0.7
163.02744	0.6
163.04037	8.3
164.01187	0.5
169.01424	4.7
172.07684	1.4
173.07257	2.3
174.05621	28.0
175.05975	1.5
176.03464	0.5
178.99873	2.7
180.06682	25.0
181.07030	1.0
200.07181	9.8
201.07520	0.6
204.04308	0.5
214.02763	2.3
218.04616	21.5
218.08008	5.1
219.04956	1.7
242.02188	1.4
243.02972	1.7
259.02481	2.6
262.07230	22.7
263.07562	1.4
270.01688	2.2
271.02518	14.3
272.02887	1.6
273.00421	0.5
287.01996	7.9
288.02576	1.5
300.99860	0.5
303.05319	0.6
316.02252	32.0
317.02872	7.2
318.03555	0.6
319.04874	0.7
337.12115	0.6
339.23044	0.4
381.10968	0.8
399.12003	100.0
400.12375	11.8
400.20392	0.5
491.08368	33.5
492.08676	5.2
578.76929	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	891.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.9
71.01387	1.5
77.63885	0.5
81.03442	0.8
83.01400	1.0
85.80380	0.5
94.52972	0.5
95.01405	0.6
95.05038	0.7
97.02954	1.6
98.97575	0.5
99.04530	0.6
107.01405	0.8
109.02957	3.8
111.00845	0.6
113.02486	0.7
113.66588	0.5
121.02952	1.1
122.11838	0.5
123.00916	1.0
123.04523	2.4
124.01689	0.8
125.02458	36.9
126.02792	1.4
135.04558	0.6
137.02475	3.9
139.00351	0.5
139.04111	0.6
140.01154	0.9
145.02960	1.0
149.02432	1.2
151.03999	3.4
161.02457	0.8
161.06076	1.6
165.01990	0.7
165.12877	0.7
167.03525	1.3
169.01437	42.8
170.01724	1.6
177.01979	1.1
179.03441	1.1
182.72002	0.5
185.06006	0.6
187.04059	0.9
188.04706	0.6
193.01416	1.8
202.06342	0.7
203.07175	2.2
205.05067	1.5
207.13945	3.0
209.11882	4.3
225.14983	5.4
227.12898	26.6
228.13199	1.5
245.08170	3.1
251.12802	0.9
269.13940	7.2
271.06073	2.9
273.00525	0.7
287.15027	100.0
288.15387	6.8
289.07202	13.6
290.07556	1.5
303.05246	1.5
312.78244	0.5
316.02335	0.8
318.65704	0.5
329.16061	2.0
365.90784	0.5
389.18134	1.0
441.08319	15.2
442.08594	2.1
449.07193	1.4
449.20306	27.8
450.20737	3.9
827.18951	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	892.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	3.2
70.04660	3.0
70.04987	4.3
81.69392	1.8
95.01399	3.4
111.00845	1.9
112.45777	2.2
117.03494	6.8
123.00869	3.5
125.02484	4.0
126.82918	2.4
129.03534	2.4
131.01416	2.8
133.02991	8.2
135.04538	4.3
137.02542	4.9
145.02963	19.9
147.01001	2.1
147.04518	9.2
149.02425	7.1
157.02972	4.0
159.01085	2.4
159.04489	4.1
160.01649	2.5
161.02463	18.4
162.02878	1.9
163.00349	5.3
163.04022	12.6
165.01910	2.3
169.01367	2.4
171.00897	3.5
173.02443	19.5
175.04016	7.6
177.01938	7.8
185.02502	4.5
187.00360	11.2
189.01949	25.8
190.02681	6.4
191.03555	14.8
196.75659	2.1
199.00381	5.6
200.01234	2.6
201.01959	19.9
202.02689	2.8
203.03535	12.5
205.01497	5.8
206.02249	2.3
207.02910	2.1
210.82953	1.9
213.01817	2.3
214.99883	17.2
216.00603	7.0
217.01416	37.6
218.01985	3.5
219.03030	9.1
221.04562	3.0
227.00009	2.4
228.00536	2.9
229.01434	25.0
230.02179	3.3
231.02982	5.8
233.00958	5.5
235.02441	2.3
242.99374	15.9
244.00105	7.0
245.00928	71.1
246.01375	7.0
247.02486	33.9
248.02858	3.3
248.23654	2.2
249.04070	6.4
254.99255	3.0
257.00919	8.0
258.01636	2.5
259.99631	4.1
261.00409	10.2
270.98856	56.3
271.01529	2.1
271.99362	3.1
273.00427	100.0
274.00742	10.7
275.02036	27.4
276.02454	4.4
286.98428	4.6
288.99954	8.8
290.00543	2.5
291.01505	24.4
298.98355	56.4
299.99091	14.3
300.99905	63.8
302.00299	7.3
303.01596	3.3
305.03131	3.7
316.99429	10.5
349.02075	7.6
405.04993	2.6
417.04535	6.8
431.02554	2.6
433.03851	3.5
435.05487	9.9
443.02271	4.0
457.84314	2.0
461.03653	5.4
735.04724	4.1
751.04254	8.3
752.04364	5.3
761.02014	4.6
779.03870	6.4
780.03674	3.4
793.05383	20.4
794.05334	4.1
811.06030	16.4
812.06097	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	893.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02420	0.5
65.00336	1.7
70.31544	0.7
70.31920	0.9
71.01373	1.2
73.02938	1.7
83.01396	0.9
89.53841	0.4
93.15320	0.7
101.02451	1.6
107.01395	2.3
108.02197	0.7
109.02970	2.2
121.02956	1.7
125.02498	1.0
148.01688	0.8
149.02275	0.5
149.04559	0.5
151.00385	11.5
163.00395	3.4
165.01894	0.4
169.01340	1.1
178.99904	5.4
180.00208	0.5
187.03969	0.6
199.03986	0.5
201.05640	0.5
211.04008	1.1
212.04828	0.5
215.03497	0.6
226.02614	1.1
227.03621	2.5
229.05034	0.9
239.03532	0.5
243.02992	8.2
244.03500	0.8
245.04608	1.2
254.02213	1.9
255.02998	20.1
255.05724	1.0
256.03430	1.9
271.02512	37.3
272.02991	3.0
273.04025	1.0
283.02438	0.7
299.02094	1.1
300.02777	67.8
301.03519	50.0
301.07239	0.8
302.03891	3.8
415.06717	1.0
433.08215	2.1
475.08832	100.0
476.09177	13.2
517.87378	0.4
552.75684	0.5
575.26196	0.5
610.43768	0.5
884.26099	0.5
900.28522	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	893.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	0.5
69.03455	1.6
69.10361	3.0
70.31439	0.3
81.03462	1.4
81.23087	0.3
82.17863	0.3
83.01404	1.3
95.01423	0.6
95.05037	1.0
97.02966	2.6
107.01427	1.3
109.02958	7.4
111.00880	0.6
121.02972	0.8
123.00890	0.9
123.04557	4.0
124.01695	0.7
125.02461	63.8
126.02814	2.1
135.04541	0.5
136.98880	0.4
137.02467	7.1
139.00392	1.0
139.04024	0.7
140.01212	1.3
145.02997	2.2
146.03647	0.4
149.02469	2.3
151.04030	5.0
159.04520	1.3
161.06081	1.9
162.03242	0.5
164.01155	1.4
165.01945	2.3
166.99828	1.5
167.03613	0.4
168.00638	1.6
169.01442	100.0
170.01822	3.2
175.04079	0.7
175.07668	0.4
175.11705	0.3
179.03522	2.2
185.06129	0.7
187.04015	1.9
188.04800	1.5
193.01450	3.6
194.01828	0.3
202.06375	0.4
203.07161	4.4
204.07533	0.5
205.01448	0.5
205.05061	2.6
216.68782	0.3
221.08218	0.8
227.03455	0.3
227.07141	0.9
231.03085	0.6
245.08205	7.8
246.08649	0.5
253.05092	1.4
259.06076	1.0
270.04938	0.3
271.06146	5.1
272.06491	0.3
287.05746	0.4
289.07205	36.8
290.07513	2.8
303.05084	1.8
331.04736	1.7
397.08853	0.4
441.08322	46.7
442.08658	6.6
451.08667	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	894.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	1.7
65.43952	1.8
89.15041	1.8
93.69698	1.5
96.96037	4.6
109.02979	2.4
115.27309	1.6
117.03530	2.3
119.05027	3.1
123.00902	3.2
125.02473	4.6
133.02974	3.2
135.04576	2.3
137.02454	6.2
145.02979	10.9
147.04552	6.9
149.02487	3.3
157.02963	3.4
159.04538	1.8
161.02498	8.4
163.00400	10.5
163.04002	7.6
165.01926	2.4
169.01379	1.7
171.00826	2.5
173.02466	9.6
174.03270	2.5
175.04015	10.2
177.01944	5.7
178.02600	1.9
185.02443	5.6
187.00427	2.5
187.03896	1.6
189.01999	10.7
190.02707	5.1
190.99866	4.8
191.03505	13.0
193.01427	4.6
199.00372	3.2
201.01982	14.8
202.02464	3.2
203.03514	11.8
204.03836	1.9
205.01491	3.2
209.00957	2.1
213.01952	2.4
217.01468	12.8
218.02011	2.2
219.03017	11.3
221.04604	5.6
226.99954	3.1
229.01466	24.0
230.01881	3.1
231.02965	11.2
233.00783	2.2
235.02487	1.8
237.00407	3.4
242.99397	4.0
245.00900	23.4
246.01585	3.2
247.02466	31.2
248.03047	2.9
249.04155	8.6
257.00946	15.2
258.01617	6.9
261.00439	3.5
270.98917	13.7
273.00430	42.7
274.00864	4.4
275.01999	65.2
276.02295	4.6
291.01495	6.6
298.98346	22.5
299.99014	9.6
300.99921	100.0
302.00269	8.4
333.02527	3.1
341.31424	1.7
345.69229	1.6
393.04721	2.6
401.21436	1.7
417.04807	3.5
435.05658	7.2
458.95151	2.3
461.03616	2.1
479.04895	2.6
745.02203	1.8
755.07477	12.1
756.07477	3.0
763.03839	6.3
781.05243	7.6
787.09662	2.2
795.07111	15.9
796.07330	3.4
812.23828	1.8
813.07947	13.2
814.08051	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	894.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96239	0.7
64.08140	0.2
64.97025	3.0
68.53111	0.2
71.27935	0.4
72.00919	4.4
75.94131	0.2
79.95741	14.1
80.96519	8.4
91.05567	0.2
95.97621	35.9
96.96033	0.2
118.06644	16.9
119.06958	0.6
125.02471	0.3
147.04535	18.4
148.04840	0.6
162.05603	0.5
164.07178	46.7
165.01854	0.2
165.07532	2.3
169.01364	0.4
171.14633	0.2
182.02963	0.3
183.92540	0.2
198.02306	1.4
226.01799	2.3
244.02853	100.0
245.03156	5.8
286.44614	0.2
579.14044	0.2
717.45996	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	894.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.7
69.04411	4.6
69.04836	2.9
71.01372	3.1
80.80498	0.8
81.03435	1.2
83.01366	0.9
85.04554	1.0
94.64053	0.8
95.01417	1.0
97.02960	1.7
107.01399	5.4
108.02186	10.7
109.02997	5.2
111.00927	2.0
121.02959	1.6
123.00921	5.1
123.04510	2.9
124.01704	1.0
125.02461	63.9
126.02808	2.7
126.70899	0.7
137.02470	5.5
138.01987	89.5
139.00365	2.2
139.02318	3.4
140.01132	1.2
144.67027	0.9
145.02979	1.4
149.02409	1.5
151.00391	3.3
151.04008	1.8
151.55135	0.9
159.04468	1.5
161.02480	1.5
161.06104	1.1
164.01118	1.0
165.01926	1.5
166.99843	1.2
167.03511	0.9
168.00674	1.3
169.01440	100.0
170.01778	4.1
179.03499	2.6
187.03995	1.7
191.38678	0.9
193.01480	1.9
199.04027	2.8
203.07137	3.6
205.05069	2.4
211.02448	2.1
227.03474	2.1
227.07196	1.1
241.03630	0.9
243.02974	2.2
245.08209	3.5
256.03729	0.8
271.06085	2.6
289.07214	24.9
290.07367	1.6
303.05133	1.6
313.05673	47.2
314.05966	3.9
331.04565	2.0
378.25146	0.9
441.08328	24.1
442.08514	3.6
452.08380	88.4
453.08630	9.5
457.48749	0.9
573.10547	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	895.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	1.0
64.82077	0.5
65.00326	0.9
69.04383	1.9
69.04807	2.9
71.01385	4.1
71.56729	0.5
82.78230	0.5
83.01409	1.1
85.02956	4.1
87.00871	0.8
93.03455	1.2
95.01380	1.3
96.96001	1.9
98.22586	0.6
99.00897	1.4
103.00392	0.7
107.01409	3.7
108.02177	1.1
109.02969	2.5
113.02469	6.9
115.62728	0.5
118.79718	0.7
121.02975	2.5
125.02442	2.3
135.00891	1.6
143.05064	0.7
148.01674	1.0
150.99188	0.8
151.00394	13.0
153.01964	0.9
159.04539	1.1
161.02484	1.0
163.00371	3.9
169.01419	1.1
169.06599	0.8
171.04608	0.8
173.06055	0.7
175.02481	2.2
178.99869	5.3
183.04498	0.8
185.06050	1.3
186.06459	0.6
187.04037	1.8
189.05573	1.0
195.04446	0.8
197.06067	0.9
199.04057	1.2
201.05574	1.7
211.04068	2.6
213.05515	1.2
215.03674	0.7
226.02728	1.0
227.03596	3.6
229.05052	6.9
230.05312	0.6
235.02553	0.6
239.03548	1.5
241.04878	1.0
243.02963	6.9
245.04550	1.2
254.02258	1.4
255.03014	18.2
255.05710	1.1
256.03528	1.9
257.04575	4.4
266.02148	0.5
271.02509	38.1
272.02966	4.0
273.04135	1.6
283.02451	1.7
285.04068	58.0
286.04367	3.9
300.02774	64.6
301.03519	63.7
302.03891	5.4
336.72327	0.6
433.07782	100.0
434.08072	13.5
461.07333	19.7
462.07782	2.6
503.12103	0.7
555.08990	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	895.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	1.6
68.99097	3.7
68.99519	4.4
71.01393	4.5
75.18228	0.9
85.02950	4.5
95.01373	1.4
99.00899	2.3
103.00395	0.9
107.01394	3.1
108.92971	0.7
109.02950	2.5
113.02464	7.5
121.02956	1.3
125.02469	2.5
135.00858	1.0
143.05061	1.1
148.01677	0.8
151.00383	9.1
159.04512	1.2
163.00389	3.3
167.03468	0.8
169.01424	1.6
175.02467	2.7
178.99861	3.4
185.06053	1.3
187.04027	2.7
190.62561	0.9
193.99939	0.8
199.04060	1.5
201.05565	1.1
211.04079	2.0
213.05614	1.1
226.02795	1.2
227.03481	3.0
229.05072	7.5
239.03456	1.4
243.02986	7.3
245.04440	0.8
254.02069	1.4
255.03011	17.3
256.03323	2.5
257.04550	4.3
271.02499	36.1
272.03036	3.9
273.04050	0.9
283.02679	2.0
285.04065	60.7
286.04333	5.0
299.01871	1.0
300.02768	74.2
301.03491	46.5
302.03809	2.5
339.21030	0.9
433.07803	100.0
434.08133	13.5
461.07321	19.6
462.07852	2.2
601.82581	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	895.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.8
65.00322	3.2
68.99224	7.1
68.99815	0.8
69.49870	0.7
71.01368	3.3
71.04369	0.6
71.23947	0.7
79.01884	0.9
81.03450	2.1
83.01402	3.2
85.02962	3.5
86.20894	0.8
91.01891	0.8
91.45707	0.7
93.03458	5.6
95.01401	2.1
96.96017	1.4
97.02948	3.9
98.21822	1.9
99.00896	1.1
103.00407	0.8
105.03455	1.2
107.01396	5.5
109.02976	1.4
113.02444	5.1
117.03516	0.8
119.05037	34.6
120.05329	1.4
121.02970	5.3
123.00866	1.8
123.04516	0.7
125.02451	15.0
126.02703	0.8
135.00920	0.8
136.01489	0.8
137.02470	2.4
143.05014	4.1
143.08066	0.8
145.02950	3.1
146.03275	0.8
149.02489	4.7
151.00392	15.1
155.03531	1.4
159.04510	1.6
161.06085	1.6
161.53137	0.8
163.00397	5.9
163.04001	1.3
164.01025	0.9
164.73125	0.8
165.01947	8.7
167.03490	3.5
169.01430	2.5
175.02461	1.9
177.01985	2.7
179.03477	1.6
185.06038	2.5
186.81590	0.7
187.04024	5.7
191.03542	1.8
193.01427	26.9
194.01797	1.1
199.07552	0.9
205.01353	1.0
207.02977	2.1
211.03947	1.5
219.02995	2.0
223.02481	3.0
225.05534	1.0
227.03520	2.1
227.07185	1.7
229.05070	5.3
241.08693	1.4
243.02925	4.4
245.08142	0.9
248.85159	0.8
255.03030	6.6
257.04547	2.4
269.08218	1.7
271.02505	13.1
271.06094	8.2
272.03040	1.4
283.06143	1.3
285.04068	46.0
286.04315	3.3
299.99319	1.9
300.02753	31.8
301.03424	10.7
302.03983	1.1
313.07196	100.0
314.07507	10.2
317.55869	0.7
325.07111	2.6
343.08215	23.7
344.08453	1.9
355.08371	1.6
415.10568	3.0
433.07199	21.2
433.11490	45.6
434.12717	6.5
461.07355	17.1
462.07703	1.7
711.86743	1.0
820.10834	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	897.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26630	2.0
71.86397	1.1
74.19388	1.3
81.03480	1.2
83.01401	3.9
86.32791	1.2
93.03448	1.7
95.01418	2.2
96.96033	1.3
97.02959	1.5
107.01382	1.9
109.02976	11.8
121.03007	6.1
123.00900	3.6
123.04546	7.6
125.02460	100.0
126.02819	3.4
131.05045	2.0
133.02971	3.9
135.04549	3.9
137.02443	12.6
139.04027	2.4
145.02969	4.3
147.00993	1.4
147.04584	1.3
149.02446	8.1
150.03224	1.3
151.04042	8.9
159.04564	6.7
159.05714	1.3
159.08499	1.2
161.02478	13.7
161.06090	3.5
163.00438	3.7
163.04022	4.4
164.01169	2.0
165.01981	5.2
167.03516	5.2
169.01437	21.4
175.00313	2.0
175.04033	14.5
177.01944	45.8
177.05539	2.4
178.02428	2.2
179.03488	1.9
183.04544	2.7
185.06087	3.1
187.04044	6.4
189.01944	2.7
191.03511	2.0
193.01392	2.5
199.04106	6.8
201.01945	3.8
201.05614	3.6
203.03506	2.1
203.07143	3.0
205.05058	3.0
211.04083	2.0
212.04668	1.8
213.05554	2.7
214.02765	1.7
215.03506	2.5
217.05075	5.8
219.06444	2.0
225.05644	2.4
227.03514	4.5
227.07265	2.0
228.04303	1.6
229.01450	1.6
229.05040	5.1
231.03050	2.4
237.05547	1.5
241.05090	4.5
243.02979	11.4
245.04553	4.2
245.08264	5.6
249.06186	2.1
253.05330	2.5
255.03014	11.8
256.03793	3.3
257.04584	4.8
259.06009	1.4
261.04068	2.6
267.02963	1.9
269.04550	11.4
271.06241	7.7
273.04071	4.1
281.04602	4.2
283.02664	3.6
283.06049	1.9
285.04068	26.4
286.04633	3.6
287.05612	8.3
289.07233	26.0
290.07584	3.0
297.04102	4.2
303.05106	10.3
309.04037	1.4
310.04321	1.4
333.07495	1.7
337.07251	1.8
339.08798	1.5
363.08884	1.3
371.09802	2.4
379.16171	1.3
389.06714	4.3
395.07968	1.8
407.07751	52.2
408.08099	6.7
419.07834	5.0
423.07230	15.8
424.07397	3.5
425.08798	2.8
431.07834	5.1
433.20230	1.5
437.08725	3.7
441.08380	6.8
449.08701	12.3
450.09363	1.7
467.10223	6.0
512.67163	1.2
525.16260	1.8
531.13263	1.7
557.10919	8.4
558.11554	2.3
559.08850	2.6
575.12006	20.0
576.12366	4.3
577.09985	3.5
593.12891	8.6
594.13574	2.0
601.10040	1.9
619.10968	3.2
718.46277	1.3
727.12872	3.1
745.14252	14.5
746.14319	3.6
794.00159	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	897.153
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86770	1.3
81.03465	1.4
83.01409	4.7
89.03963	1.7
93.03456	2.0
93.56961	1.4
95.01407	2.6
97.02987	3.5
104.34982	1.4
107.01431	2.0
109.02960	15.2
114.77976	1.3
115.72945	1.3
121.02990	4.0
123.00912	2.8
123.04531	8.4
125.02462	100.0
126.02847	4.1
133.02959	2.3
135.04555	4.4
135.93317	1.2
137.02461	15.9
139.04024	1.9
143.04985	1.8
145.02979	3.5
147.04488	2.4
147.88942	1.3
149.02446	9.6
151.00363	2.3
151.04045	10.0
159.04518	6.5
161.02455	7.8
161.06110	3.3
163.00412	3.4
163.04031	4.0
164.01198	1.5
165.01898	3.5
166.02788	1.8
167.03532	3.2
167.04915	1.4
169.01431	26.4
170.01772	1.6
173.06030	1.4
175.00375	2.0
175.03981	14.5
177.01947	62.6
178.02286	2.1
179.03522	1.8
183.04572	2.3
185.06049	4.7
187.04018	9.2
189.01941	2.0
191.03482	1.7
193.01488	3.1
199.04013	5.4
200.04475	1.3
201.01947	2.5
201.05586	4.7
203.03499	2.2
203.07144	3.9
205.05098	3.0
209.06059	1.3
211.03987	2.2
213.05679	2.6
215.03539	3.4
217.05022	3.5
225.05568	1.5
225.16130	1.3
227.03546	5.5
229.05121	4.9
231.03018	4.2
231.06592	1.6
241.05122	4.0
243.03009	10.3
243.06654	1.6
245.04597	1.8
245.08157	6.2
253.05043	3.3
255.03049	14.3
256.03757	5.3
257.04581	3.7
259.06287	2.7
261.04086	3.7
267.03012	2.9
269.04575	2.2
271.02502	4.8
271.06018	7.6
273.04105	3.3
281.04608	2.6
283.02521	3.0
284.02911	1.3
285.04086	25.7
286.04541	2.4
287.05609	3.0
289.07190	27.4
290.07498	3.1
297.04117	6.5
298.04410	1.5
299.05847	1.6
300.02817	9.0
301.00232	2.2
301.03409	8.2
303.05038	12.7
319.04840	2.8
327.05090	1.6
339.08835	1.5
381.09668	2.5
389.06677	4.9
407.07742	69.6
408.08130	10.3
419.07529	6.4
423.07306	3.9
425.08768	1.9
431.07593	7.5
432.08612	1.4
433.08182	7.8
437.08691	4.3
438.09183	1.5
441.08276	9.3
442.08218	2.0
449.08749	12.7
450.09225	2.2
463.08493	4.7
467.09738	5.2
468.10648	1.4
531.34283	1.5
557.11060	10.9
558.10541	1.8
559.08801	6.6
575.12012	19.6
576.12305	3.0
577.10034	7.1
589.09497	2.0
593.13434	6.6
594.13141	2.0
601.09399	2.8
619.10742	6.5
620.11517	1.8
630.79852	1.5
727.13556	7.6
728.13202	2.7
745.13983	22.8
746.14392	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	897.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.9
69.22035	4.1
69.22444	1.4
70.09823	0.6
81.03461	1.5
83.01393	2.7
93.03451	1.6
95.01396	1.0
95.05012	1.1
97.02956	1.7
98.21760	1.3
105.03449	2.0
107.01358	1.5
107.05047	0.8
109.02966	9.7
111.04520	1.0
119.05096	0.8
121.02975	1.7
123.00900	2.7
123.04553	1.7
124.01713	1.5
125.02458	100.0
126.02802	4.1
128.38896	0.6
131.05042	0.8
133.02962	3.6
135.04520	0.7
137.02460	10.9
139.04007	3.7
145.02998	1.6
147.04543	1.2
149.02455	3.5
151.00397	1.3
151.04044	6.2
153.01906	0.8
155.05106	0.9
159.04495	3.1
161.02460	29.9
161.06110	1.1
162.02968	2.1
163.00356	1.8
163.03964	3.1
164.01213	3.3
165.01945	4.3
167.03506	5.3
169.01439	23.6
169.06628	0.7
170.01830	1.6
171.04558	0.9
173.06059	1.1
174.03120	1.1
175.03996	9.4
177.01961	12.6
177.05519	3.2
179.03494	3.0
183.04553	2.6
185.02420	0.9
185.06125	0.7
187.04053	2.6
189.01942	1.9
189.05583	1.0
193.01486	3.5
195.04436	0.6
197.06110	1.7
199.03992	4.5
201.01936	2.0
201.05659	4.4
203.03508	3.7
205.01291	1.5
205.05069	1.4
211.03998	1.0
213.05540	2.2
214.02594	0.7
215.03514	1.7
217.05054	5.5
219.03024	2.3
219.06686	2.8
221.04494	0.9
223.04071	0.8
225.05617	4.9
227.03476	4.3
229.01419	2.3
229.05011	3.8
231.03008	1.7
241.04976	3.5
243.02963	8.5
243.06676	1.4
245.04570	9.4
251.03528	1.5
253.05008	1.4
255.02954	7.2
256.03812	2.2
257.04611	3.2
261.04001	1.0
265.05084	0.7
267.02985	2.0
267.06622	1.0
267.37006	0.7
268.03802	1.0
269.04568	34.3
270.04947	2.5
271.02719	1.0
271.06107	0.9
273.01358	0.7
273.03906	3.1
280.03955	0.8
281.04568	1.8
282.01999	0.7
283.02597	3.5
283.05832	0.9
284.03159	0.7
285.04025	7.2
286.04742	1.8
287.05640	21.9
288.02905	0.9
288.05994	2.2
289.07117	1.4
293.04703	1.0
295.02451	0.7
297.04111	4.7
299.05667	1.8
300.02881	1.3
303.05280	1.9
305.06723	9.9
307.06320	1.2
309.04181	1.5
309.07712	2.4
311.05692	1.2
313.03528	1.7
319.04684	1.8
323.05292	1.0
337.07083	1.7
339.05191	1.3
348.12360	0.6
379.08325	2.9
389.06357	0.8
395.07758	5.7
396.07986	0.8
405.06107	5.0
407.07809	4.1
408.08469	0.6
423.07245	52.0
424.07590	6.3
425.08704	0.9
431.07690	3.2
435.07309	3.6
439.06573	1.3
441.08157	1.9
447.07303	2.3
449.08777	8.3
450.09201	1.5
453.07983	0.7
457.07687	2.1
465.07993	1.0
467.10098	3.1
476.42719	0.6
513.12006	1.0
539.09991	1.3
556.00482	0.7
557.10956	12.3
558.11316	2.8
575.12079	20.9
576.12500	4.2
593.13391	6.6
594.13464	0.9
619.10852	1.8
727.13135	3.2
728.13989	1.0
745.14203	7.9
746.14270	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	897.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
70.42242	2.3
70.42583	1.5
81.03444	1.4
83.01388	3.6
93.03476	2.4
95.01414	1.5
97.02992	1.8
105.03510	1.6
109.02325	1.7
109.02978	13.1
121.00801	1.1
121.02982	4.4
123.00935	2.9
123.04543	8.8
124.01620	1.2
125.02464	100.0
126.02825	3.3
131.05017	1.2
133.02997	3.8
134.05241	1.0
135.04532	4.7
137.02457	13.0
139.04045	1.6
143.05049	1.4
145.02985	4.9
146.03763	1.8
147.04512	1.7
149.02466	10.2
151.04019	10.8
159.04593	5.6
161.02460	11.2
161.06067	3.3
162.03169	1.2
163.00417	4.1
163.04028	4.2
164.01173	1.8
165.01936	3.8
167.03534	3.5
169.01456	17.9
175.00446	1.2
175.04025	13.4
177.01955	59.7
178.02258	2.0
179.03482	1.9
183.04393	2.4
185.06116	3.6
187.04036	6.2
189.01823	1.3
189.68703	1.1
191.03435	1.4
193.01442	4.0
199.04063	5.3
201.01964	2.8
201.05566	2.4
203.03497	1.3
203.07201	3.6
205.05086	4.3
211.04028	3.5
213.02061	1.1
213.05562	2.7
214.02730	1.2
215.03516	2.1
217.05005	5.8
219.02916	2.1
219.06499	1.2
221.08118	1.2
225.05608	1.5
227.03532	3.4
227.07114	2.1
229.05086	4.4
231.03040	2.3
231.06535	1.3
233.01268	0.9
239.03487	1.2
241.05177	4.2
243.03036	9.9
245.04514	2.9
245.08189	6.3
249.53658	1.1
253.05000	2.7
255.03053	10.8
256.03708	5.8
257.04596	3.6
259.05954	1.6
261.03925	2.2
267.03058	2.2
269.04587	7.8
271.06131	7.8
273.04108	3.7
279.03098	1.3
281.04633	3.3
283.02554	3.7
284.03320	2.1
285.04059	30.9
286.04364	2.9
287.05588	4.9
289.07193	30.6
290.07379	2.2
297.04077	4.0
301.03812	1.6
303.05133	11.2
313.07159	1.1
321.07730	2.0
327.05289	1.5
339.08847	3.3
363.08951	1.3
375.09161	1.4
389.06555	3.0
407.07761	60.5
408.08060	9.1
419.07889	5.5
423.07251	9.6
424.07642	1.9
425.08896	2.5
431.07742	5.8
432.07855	1.3
435.07401	1.2
437.08701	3.0
441.08353	8.0
442.08334	1.3
449.08783	12.2
450.09250	2.3
460.22540	1.1
467.10010	5.0
513.12305	2.5
531.13232	1.2
557.10889	10.6
558.11469	1.6
559.09027	4.9
575.12140	20.1
576.12195	4.6
577.09766	4.2
593.12897	7.8
601.09521	1.9
619.11053	3.8
727.12915	4.0
745.14001	16.4
746.14508	4.8
776.63623	1.2
921.70685	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	897.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99575	0.2
73.02950	0.1
80.22815	0.1
99.92595	12.1
100.92609	0.6
100.93291	0.1
114.05775	0.1
114.93428	0.5
116.92873	100.0
117.03448	0.6
117.92883	5.4
119.05046	0.3
145.02966	1.8
161.02444	0.1
169.01320	0.2
236.83659	0.1
450.82327	0.1
633.18695	0.2
754.71729	0.1
779.21643	0.4
879.15002	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	898.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51918	29.8
78.26044	36.0
98.21810	100.0
220.33313	40.3
220.35600	36.1
229.98318	36.1
236.30869	39.9
274.14841	38.7
899.45300	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77403	1.2
69.71514	5.3
83.31052	1.3
86.33020	1.1
87.47406	1.2
93.03481	5.9
98.22453	2.1
106.04266	1.7
108.02184	1.9
117.03490	6.9
119.05041	18.3
121.02939	3.7
133.02966	4.9
134.03763	43.8
135.04556	18.5
137.02426	3.9
143.05070	8.7
145.02963	15.1
149.06093	30.5
150.03188	1.7
150.06416	1.8
155.05026	1.7
156.05814	5.9
157.06583	10.1
158.03723	6.0
159.04552	1.5
159.08113	7.9
160.01695	4.9
161.02466	15.9
161.06107	10.5
162.03204	4.5
163.04053	1.5
169.06625	1.5
171.04550	1.6
172.05231	1.7
173.02457	2.3
173.06044	5.2
174.03232	15.1
175.04007	11.5
185.06094	17.0
187.04025	15.5
194.02228	3.5
198.06853	3.8
199.04039	14.0
200.04710	3.1
202.06332	1.6
215.07124	3.3
217.05080	1.4
227.07170	2.4
229.05075	4.5
240.08061	2.4
243.03114	1.7
251.07169	4.1
255.02911	2.6
255.06676	2.2
267.10327	11.6
271.02496	7.4
277.08636	2.1
293.11905	2.5
300.02774	11.7
301.03476	7.8
320.10464	7.3
330.08841	1.4
335.12918	93.2
336.13254	11.4
337.10791	19.5
338.11136	2.2
379.11932	59.3
380.12100	7.3
423.10907	100.0
424.11292	12.6
425.51746	1.3
456.31836	1.3
475.08862	17.8
476.09384	2.3
510.39966	1.7
602.40826	1.4
721.97144	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	899.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27764	1.5
93.03477	4.2
109.02974	1.5
111.00894	1.1
111.19387	1.0
117.03475	3.8
119.05044	12.7
121.02991	2.9
123.32903	1.0
125.02493	1.8
130.50677	1.0
133.02980	3.9
134.03757	41.5
135.04581	13.6
137.02464	3.4
139.04013	1.3
143.05025	8.4
145.02968	18.4
148.05324	2.9
149.06085	23.0
150.03297	1.8
150.06436	1.2
151.00395	2.6
156.05843	4.3
157.06589	7.7
158.03722	7.3
159.04451	1.8
159.08197	6.3
160.01732	5.5
161.02434	14.1
161.06105	9.2
162.03209	1.9
163.03989	1.4
165.05560	1.3
169.01453	1.2
171.04456	1.7
172.05243	2.7
173.02487	2.5
173.06129	5.4
174.03239	11.4
175.03990	9.7
178.05151	1.2
179.00012	1.4
185.06097	14.8
187.04016	14.5
188.04433	1.4
194.02216	5.4
195.06642	1.5
197.06113	1.4
198.06880	3.5
199.04047	13.1
199.07674	1.5
200.04776	2.8
201.05582	2.3
202.06316	1.9
203.07172	1.5
207.98140	0.9
211.04163	1.2
212.04802	1.0
215.07118	2.2
217.05063	2.0
227.07132	2.8
229.05101	2.8
240.07896	1.8
243.02930	1.3
251.07080	1.9
255.03076	2.5
255.06595	2.4
259.06085	1.1
267.10306	13.7
271.02356	7.4
285.07834	1.3
293.12085	1.2
300.02716	11.5
301.03619	8.5
302.09775	1.4
305.08206	1.7
312.12518	4.5
319.09805	2.9
320.10547	6.6
321.10840	1.3
335.12918	88.7
336.13287	9.8
337.10779	18.7
379.11908	55.7
380.12219	7.6
423.10898	100.0
424.11246	14.9
475.08847	14.6
476.09183	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	900.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51205	1.5
71.01375	4.0
71.27272	2.3
73.61349	1.6
74.06589	2.0
78.19029	1.8
78.44853	1.6
80.66393	1.4
85.19343	1.6
88.04052	28.9
88.33517	1.5
88.50014	1.5
95.01392	9.8
96.96019	9.6
98.19710	1.5
105.03403	1.7
107.01394	3.6
113.02502	1.8
114.01958	2.1
115.00381	6.4
117.03442	3.0
119.05057	3.0
123.00896	25.8
125.02456	16.6
132.03040	38.2
135.04535	1.9
137.02460	3.3
139.00377	3.6
145.02963	7.6
147.04552	6.8
149.02472	1.6
157.02945	6.2
161.02457	5.2
163.00415	2.2
163.04005	4.5
165.01970	2.6
165.91333	1.6
166.99898	10.2
169.01450	14.2
171.00978	3.1
173.02530	8.1
175.04060	8.5
177.01949	5.4
189.01918	4.5
191.03481	17.7
199.00417	2.4
201.01901	14.6
203.03592	9.2
209.00969	5.6
217.01425	10.1
219.02992	9.6
226.99937	3.4
229.01465	16.2
230.01826	2.5
231.02995	7.1
235.02446	3.2
245.01010	10.1
247.02515	34.9
248.02815	2.6
250.07211	22.7
254.99281	2.1
257.00815	2.7
261.00427	1.6
263.02017	5.8
270.98810	4.0
273.00439	18.6
275.02127	8.2
291.01514	7.8
298.98196	11.3
299.98956	5.0
301.00015	15.0
302.00275	1.8
305.02972	1.6
316.99496	1.7
335.00623	4.8
350.58112	1.6
391.70465	2.1
417.05099	2.8
587.06781	4.5
603.06573	4.3
605.07660	6.0
613.04773	100.0
614.04926	15.3
631.05853	55.7
632.06201	7.3
846.40503	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	900.148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41353	9.3
79.51611	1.3
93.03435	1.9
93.59664	1.3
95.01377	5.6
96.96024	5.5
97.02977	1.5
98.22476	2.8
101.03938	1.7
107.01400	4.3
109.02990	1.5
110.29640	1.2
111.00908	2.0
117.03442	4.2
119.05028	4.2
121.02971	3.2
122.52277	1.6
123.00918	8.2
123.04539	1.4
125.02463	32.2
126.02785	2.5
129.03514	1.8
131.05058	1.9
133.02943	4.9
135.04532	3.4
137.02443	3.4
145.02972	16.8
147.04517	12.6
149.02492	2.1
151.00446	1.7
157.02963	5.3
159.04515	2.6
160.01646	2.0
161.02454	12.1
162.03191	2.1
163.00392	2.3
163.04039	8.7
164.07159	5.2
165.02119	1.9
166.84964	1.8
166.99826	3.9
168.00626	2.5
169.01430	37.8
171.00888	5.1
173.02454	15.4
175.04042	10.7
177.01944	5.4
179.03554	2.2
185.02399	2.8
187.00310	1.7
189.01936	20.7
190.02702	8.3
191.03520	29.6
199.00368	5.3
199.04269	1.8
200.01189	2.3
201.01935	21.0
203.03502	11.8
205.01431	2.8
206.08241	6.8
211.02446	3.7
214.99936	2.2
216.00668	2.5
217.01442	23.9
218.01993	3.4
219.03047	12.8
219.51465	1.7
220.03323	2.0
221.00885	2.2
221.04710	2.6
226.99979	10.0
229.01428	26.6
230.01970	2.6
231.02972	4.4
235.02458	3.1
242.99271	5.2
244.00140	3.8
245.00909	37.8
246.01434	3.5
247.02496	95.4
248.02823	7.8
254.99391	3.2
261.00391	5.5
263.02106	3.2
270.98935	8.1
271.99170	1.9
273.00443	100.0
274.00714	8.0
275.02042	5.1
279.94531	1.8
289.03461	2.6
290.00732	2.8
291.01514	13.2
295.04477	2.9
298.98361	30.8
299.98984	5.4
300.99872	27.5
302.00192	3.5
313.05652	12.3
316.99411	5.9
331.48639	1.4
333.02463	4.9
357.04663	11.7
409.08475	1.7
453.06641	3.8
461.17615	1.5
559.06891	1.8
561.08722	3.0
569.05591	2.8
577.08569	4.2
587.06818	5.5
603.06299	6.4
605.07892	39.4
606.07947	6.5
613.04718	97.5
614.05103	18.3
631.05756	77.8
632.06195	10.7
649.07642	7.3
650.07434	2.2
846.82373	1.7
886.99579	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	900.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98542	91.0
62.99253	48.3
70.14507	100.0
71.01427	32.5
80.96522	92.0
113.92487	25.7
173.72047	30.4
174.12579	27.1
219.37163	28.5
219.41052	26.4
239.01694	30.8
281.65640	26.6
309.20969	31.4
397.68658	30.2
826.62677	40.5
828.84595	36.7
901.46265	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54768	75.0
70.55134	84.0
71.01382	56.2
78.98673	35.9
80.96538	100.0
94.98114	40.9
115.00383	39.6
175.02466	91.0
190.37300	40.9
225.00867	37.6
233.56738	41.8
249.11536	37.2
266.35110	36.7
277.21680	57.4
278.22189	48.5
507.00839	51.3
692.20129	37.1
782.43457	41.2
901.46460	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42811	10.3
67.66808	10.8
69.05307	100.0
81.16428	10.4
88.03768	9.2
94.84875	9.5
137.74887	9.0
198.10519	9.4
246.82616	11.7
389.80536	11.3
417.79230	10.1
531.12518	13.0
751.05322	15.2
764.99292	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	900.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80191	10.7
70.81232	24.5
71.01392	24.6
79.95743	26.2
80.96520	100.0
87.23708	10.2
94.98125	33.1
112.01116	10.0
148.99124	11.9
164.98677	13.4
194.22853	10.9
225.00781	25.7
277.21860	22.0
277.97910	13.1
278.22165	13.0
337.07843	13.7
509.96619	11.8
544.06470	11.8
655.57172	12.4
829.66284	12.2
901.46631	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85039	100.0
80.96544	54.6
130.36940	24.2
138.31474	21.3
143.42921	23.3
219.08673	25.8
694.13318	24.5
901.45557	82.7
902.33282	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02742	1.5
70.03004	1.8
70.55408	1.5
72.00910	2.1
81.74287	1.6
92.05064	55.6
96.95999	2.2
97.04905	1.4
98.02481	21.4
106.09548	1.3
110.02498	1.8
111.03270	16.7
125.02455	5.2
130.06630	16.5
131.04985	1.7
136.04042	33.0
146.06157	2.7
147.04521	13.6
150.30003	1.5
156.08231	3.4
157.06503	1.8
164.07167	32.8
165.07553	1.4
169.01459	2.0
171.31052	1.3
173.07132	1.4
174.05612	38.1
175.05943	2.0
184.07695	15.8
185.07922	1.6
202.08749	9.4
218.04582	33.7
246.07718	38.8
247.08086	3.1
254.56342	1.5
271.02560	2.1
300.02795	5.2
304.45609	1.5
321.12521	1.5
365.11456	2.5
383.12503	100.0
384.12967	12.2
517.09851	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	901.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96224	2.0
63.99255	2.9
68.99506	1.7
70.33810	1.5
71.01388	15.3
73.02978	1.6
78.98611	7.6
79.95748	27.7
80.96526	95.2
85.02955	2.6
87.00902	3.1
94.98090	19.3
96.96045	1.8
97.02956	3.4
98.22643	2.5
101.02489	4.4
106.98106	2.6
122.97618	3.7
125.02454	4.5
134.97624	5.1
134.98705	1.5
136.99185	1.9
141.49673	1.6
148.99168	6.9
152.98663	6.2
161.04585	1.7
164.98624	15.2
186.27043	1.7
206.99712	4.4
225.00769	26.8
247.36746	1.8
274.71191	1.9
277.21710	2.3
283.04999	4.1
341.05338	2.2
364.43832	1.6
397.42667	2.1
591.24866	1.7
616.95789	2.3
901.46320	100.0
902.46857	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30149	0.8
69.03448	1.4
71.01385	16.0
73.02961	2.5
80.96532	0.9
81.03463	1.3
83.01395	1.6
85.02960	4.8
87.00890	2.8
89.02447	17.2
95.01406	2.4
95.68019	0.8
96.96020	2.9
97.02958	3.2
99.00866	1.2
101.02449	14.6
107.61918	1.0
113.02461	7.3
113.09769	1.0
116.92865	3.2
119.03499	4.3
125.02441	6.1
143.03522	3.3
149.04622	1.1
161.04585	3.6
165.12865	1.6
167.14371	1.9
169.01402	2.5
179.05615	5.8
181.12383	2.3
183.13910	5.6
193.12405	2.9
195.13893	2.0
197.11893	3.7
209.11853	3.1
211.13403	83.7
212.13704	6.2
221.06676	1.8
221.15488	1.2
227.12869	1.1
235.08176	4.8
247.20712	2.0
253.09351	1.7
273.18637	3.3
281.21329	1.1
287.07739	1.0
291.19678	28.4
292.20059	3.7
293.21268	3.6
300.99887	1.3
305.08759	1.5
309.20740	100.0
310.21069	10.3
323.09860	1.7
379.12512	2.2
397.13525	36.4
398.13794	2.8
415.14600	13.2
435.09940	0.9
609.27551	2.9
610.27930	1.4
689.34045	8.2
690.33929	2.1
707.35022	12.4
708.35040	3.6
883.47559	1.0
901.47742	8.9
902.48132	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99575	4.7
69.03470	1.8
71.01393	28.6
72.99290	2.6
73.02951	2.7
79.95750	2.5
81.03456	2.2
83.01407	2.7
85.02958	3.8
87.00898	5.2
89.02453	18.4
95.01391	2.4
96.96024	2.1
97.02943	2.5
97.10368	1.4
98.21863	4.6
98.22527	2.8
100.96857	1.4
101.02470	14.7
112.98618	3.0
113.02477	8.2
113.09751	1.7
116.92854	2.1
119.03502	6.0
123.00896	2.0
125.02505	7.0
131.03502	1.4
143.02414	1.3
143.03508	3.1
161.04597	4.3
165.12909	4.0
167.14488	3.2
169.01501	1.9
179.05612	8.2
181.12326	3.6
183.13942	7.9
193.12315	2.9
197.11829	1.6
209.11900	4.5
211.13411	92.4
212.13777	4.8
221.06683	2.9
221.15501	4.1
235.08250	2.6
240.13663	1.4
247.20782	2.5
259.92822	1.5
273.18732	2.1
281.21262	1.9
291.19717	37.4
292.20050	3.1
293.21213	3.1
297.72263	1.3
300.99918	2.3
305.08597	1.8
309.20749	100.0
310.21063	9.1
323.09720	1.5
397.13547	36.1
398.13950	1.9
415.14584	10.5
503.33633	2.3
517.70752	1.5
609.27454	4.4
615.64630	1.4
626.07263	1.5
638.45959	1.9
657.38177	1.7
689.33588	6.6
707.35052	13.2
708.35321	2.5
867.42676	1.4
901.47888	9.7
902.48810	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	901.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	4.0
71.01390	39.5
71.82525	3.7
72.14542	3.9
72.99311	5.0
73.02956	5.6
73.06466	3.9
75.24180	3.7
75.86650	4.0
78.98586	6.1
79.95732	13.9
80.96522	50.9
83.07394	3.8
85.02947	11.2
87.00874	8.9
89.02459	20.3
94.98093	13.0
95.01376	6.5
97.02990	6.6
99.00885	9.2
101.02450	15.2
113.02448	5.9
116.92859	13.5
119.03474	6.5
125.02431	6.7
134.97626	6.3
161.04506	7.0
164.98586	6.3
171.10277	37.8
177.24365	3.8
181.12427	7.9
199.13469	9.4
204.42889	5.0
207.10229	11.9
211.13376	16.2
215.51215	4.1
225.00748	14.9
225.11314	31.2
227.12894	11.5
229.44029	4.2
235.08211	5.4
243.12389	11.4
277.21753	42.2
278.21982	4.7
291.19681	11.7
293.21365	25.4
294.21707	4.6
314.13608	5.2
379.12711	7.7
397.13553	31.8
415.14493	13.4
619.11102	5.0
650.05133	4.6
901.47174	100.0
902.47601	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78658	0.3
69.03466	1.3
71.26949	0.6
81.03482	1.3
83.01389	1.5
85.32973	0.3
95.01415	1.0
95.05061	0.8
97.02975	2.9
107.01389	1.6
108.02219	0.3
109.02963	6.8
110.03316	0.4
111.00883	0.5
118.99569	0.3
121.02963	1.1
123.00933	2.0
123.04558	4.5
124.01705	0.8
125.02464	63.0
126.02796	1.8
127.00423	0.5
133.02975	0.6
135.04544	2.6
136.04947	0.4
137.02452	6.4
137.03401	0.5
139.00424	0.7
139.04062	1.0
140.01178	1.1
145.02956	2.5
146.03700	0.5
148.05263	0.4
149.02448	2.6
150.03209	0.6
151.00444	0.6
151.04027	4.1
159.04535	1.4
161.02481	0.8
161.06129	1.9
162.03229	0.5
164.01192	1.2
165.01923	1.8
166.99840	1.9
167.03571	0.5
168.00667	1.3
169.01448	100.0
170.01788	3.8
175.04080	0.7
175.07651	0.4
178.05127	0.6
179.03543	1.9
183.04543	0.4
185.06090	0.7
187.04086	1.8
188.04704	0.9
193.01419	4.0
201.05492	0.5
203.07153	4.2
205.01459	0.6
205.05113	2.4
206.05309	0.4
217.05138	0.4
221.08232	1.0
227.07172	1.3
245.04460	0.6
245.05499	0.4
245.08191	6.9
253.05054	1.1
259.06143	1.0
270.01947	0.5
271.06143	5.5
272.06601	0.5
287.05621	0.6
289.07211	38.3
290.07510	2.9
298.10861	7.1
299.01962	0.6
299.11450	0.5
301.03497	0.5
303.05136	1.8
331.04642	2.2
441.08313	45.9
442.08627	5.9
453.05710	0.4
460.15988	0.6
461.07413	1.7
463.08893	0.9
528.61127	0.3
761.95337	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	903.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15337	1.8
69.69958	9.9
73.79212	1.9
74.16563	1.8
76.41887	2.2
77.56338	2.1
94.75861	2.1
125.02413	2.5
138.77255	1.7
151.00366	8.9
163.00389	2.9
165.02061	3.0
169.01443	2.7
178.99866	3.9
181.05096	3.1
215.98393	2.3
243.03009	4.3
255.03017	14.5
271.02502	28.6
272.02939	2.7
299.99457	3.4
300.02777	58.4
301.03503	52.3
302.03711	4.7
337.72195	2.2
433.07794	100.0
434.08249	13.8
773.75641	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	903.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25587	0.6
67.26302	0.6
69.03462	1.3
71.01376	3.1
71.27290	1.0
75.00908	1.0
81.03439	0.8
82.70504	0.7
83.01433	1.9
85.02957	3.5
87.00892	1.1
93.03470	1.2
95.01409	3.1
95.73267	0.7
97.02976	2.1
99.00861	1.3
107.01396	2.2
109.02977	7.9
111.00932	0.9
113.02467	5.9
121.02973	1.8
123.00916	2.1
123.04501	4.9
125.02464	72.8
126.02798	3.6
129.09554	0.7
135.00864	1.0
135.04517	1.1
137.02469	6.6
139.00406	0.8
139.04004	1.0
140.01164	0.9
142.03101	0.7
143.05011	0.7
145.02960	3.7
149.02492	2.1
150.03252	0.8
151.00455	1.5
151.04030	4.2
153.02063	0.8
159.04552	2.9
161.02487	1.6
161.06117	2.2
162.02417	0.8
163.00488	0.9
163.04036	0.8
164.01181	1.9
165.01935	2.3
166.99873	1.3
169.01445	100.0
170.01747	3.5
175.02496	2.9
175.03972	1.6
179.03522	2.7
185.06105	2.4
187.04077	3.4
188.04674	1.4
189.05556	1.0
193.01459	3.9
201.05664	1.5
202.06314	0.7
203.07155	4.1
205.05121	2.9
211.03999	1.7
212.28221	0.7
213.05623	1.7
227.03542	1.7
227.07129	0.8
229.05081	7.8
239.03658	0.9
241.05214	0.8
245.08218	7.6
253.05025	1.2
255.02901	1.0
257.04584	3.2
271.06180	5.1
285.04077	50.7
286.04413	4.2
287.05466	1.3
289.07227	44.5
290.07443	3.4
303.05161	1.7
331.04642	1.3
397.09186	1.1
405.92764	0.8
441.08322	47.0
442.08688	5.4
461.07324	14.0
462.07675	1.9
791.01263	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	903.294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45424	6.6
71.01391	5.8
73.02954	2.2
83.01402	1.4
83.12549	0.8
85.02956	2.8
94.75278	1.1
95.01369	1.2
96.95984	1.1
98.21812	0.9
101.02450	3.9
107.01395	1.2
113.02411	1.4
125.02477	1.0
127.53913	0.9
151.00407	1.8
161.04587	3.2
169.01405	1.6
183.04433	1.0
227.03528	43.7
228.03944	2.3
229.04985	2.6
251.91953	0.9
255.03011	59.8
256.03662	7.1
257.04538	1.7
284.03296	64.9
285.03998	26.9
286.04401	2.2
315.18167	6.9
357.19110	1.0
501.10468	100.0
502.10742	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	903.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01801	2.2
71.01374	6.4
81.03433	2.3
83.05031	6.2
83.79748	2.3
89.02465	6.6
98.01418	1.9
101.02481	5.6
117.83373	2.0
119.03493	3.0
125.02442	5.7
163.11255	2.4
169.01480	4.9
179.05608	3.3
182.73672	2.1
209.11853	100.0
210.12166	7.7
227.12874	23.8
379.12610	5.3
397.04794	2.4
397.13541	31.7
415.14627	7.8
430.14899	2.6
464.17725	2.4
589.24835	5.1
607.26025	6.1
799.36627	3.8
903.40100	12.5
904.39752	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	905.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76117	1.3
65.00319	3.1
75.42097	1.2
87.02374	1.5
88.98809	13.5
89.03989	1.7
95.01364	1.4
98.21747	2.8
105.03469	1.7
117.03481	6.0
119.01415	3.8
119.05058	4.1
123.00864	4.9
125.02440	3.7
127.01933	1.4
129.03436	2.0
131.01367	3.4
131.05099	1.8
133.02979	7.9
135.04521	2.5
137.02475	1.9
143.01395	6.5
145.02994	13.8
147.00905	6.1
147.04515	6.5
148.53062	1.2
149.02463	3.2
155.01410	2.4
157.02908	2.7
159.00850	5.0
160.01663	1.6
161.02441	14.1
163.00380	4.0
163.04013	8.9
169.01410	1.3
171.00874	7.7
173.02472	10.1
175.03999	5.3
177.01955	4.7
182.18974	1.6
185.02432	4.5
187.00372	14.8
189.01953	15.6
190.02693	4.9
190.99869	2.3
191.03517	15.7
192.03746	1.4
193.01300	1.9
199.00381	4.5
200.01039	2.7
201.01933	12.3
203.03569	7.4
205.01299	1.9
213.01784	1.8
214.99895	17.5
216.00661	3.6
217.01413	23.7
218.02063	2.6
219.03018	9.3
226.99857	4.7
229.01447	15.5
230.02107	3.5
231.03004	6.1
233.00836	1.8
234.01759	1.7
235.02650	1.9
242.99394	13.1
244.00085	4.8
245.00923	40.9
246.01282	2.7
247.02502	41.8
248.02713	3.6
249.04048	6.0
257.01010	7.9
258.01587	1.8
259.99634	3.6
261.00443	11.3
263.02094	2.9
270.98874	100.0
271.99280	8.5
273.00455	45.4
274.00873	4.6
275.02026	20.8
283.99530	2.0
286.98337	4.4
288.99905	4.1
290.00781	1.4
291.01440	16.6
298.98380	25.8
299.99081	7.7
300.99924	81.1
302.00238	6.9
316.99561	2.2
356.18961	1.2
435.06030	2.0
439.03268	1.4
449.03821	3.0
451.05487	1.9
452.45294	1.4
585.75690	1.8
613.04608	1.6
631.05536	3.4
707.05347	3.7
725.06323	8.2
726.06482	1.9
733.02972	3.7
735.04919	12.4
736.04797	3.1
737.38745	1.6
751.04083	16.9
752.04419	2.5
753.05316	5.5
761.03680	1.7
779.02881	6.3
781.62555	1.4
797.04645	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	905.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	0.8
69.03452	0.9
70.57467	1.8
83.01376	1.2
97.02951	2.2
103.75375	0.7
107.01404	3.0
108.00356	0.8
108.02200	1.0
109.02966	8.1
121.02946	2.6
123.00839	1.2
123.04555	3.6
124.72552	0.7
125.02460	56.6
126.02769	1.6
137.02457	4.6
139.04109	0.9
145.02975	2.6
148.01677	0.8
149.02455	1.9
151.00407	8.1
151.03976	3.4
159.04495	1.2
161.06076	2.0
163.00453	2.4
164.01183	1.3
164.36159	0.7
165.01939	1.5
166.99826	1.8
167.71945	0.6
168.00664	1.2
169.01440	76.1
170.01773	2.2
175.03992	1.1
178.99873	4.4
179.03537	1.6
185.06128	0.9
187.04007	1.8
188.04802	1.4
193.01440	3.4
203.07190	4.4
205.05067	1.5
211.04156	0.7
226.02777	1.0
227.03511	2.0
227.07144	0.9
243.03018	6.6
245.04565	1.5
245.08205	6.2
253.04953	0.9
254.02260	1.7
255.03017	17.6
271.02527	39.4
271.06055	4.1
272.02927	3.1
272.06500	0.8
273.03848	1.1
283.02570	1.3
289.07220	29.9
290.07544	2.6
299.02109	1.5
300.02774	79.0
301.03491	34.1
302.03885	2.4
303.05106	1.4
331.04578	1.9
441.08316	29.8
442.08572	3.9
463.08884	100.0
464.09167	10.9
892.40479	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	905.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18328	1.4
70.18723	1.6
72.00909	1.2
80.07320	0.6
84.00903	1.0
92.05070	33.5
93.03466	2.2
93.05373	0.9
98.02486	47.8
99.02820	1.5
111.03258	2.4
112.04069	4.3
119.05032	8.7
130.06644	13.7
131.05064	1.3
136.03009	1.1
136.04066	22.7
137.86269	0.7
144.04572	1.4
146.06110	0.7
150.20090	0.7
156.03040	1.0
157.06618	1.5
163.04021	7.2
172.07693	1.2
173.07213	2.0
174.05617	27.1
175.04019	0.7
175.05902	1.4
180.06683	23.5
181.07019	1.1
199.05104	0.9
200.03703	0.7
200.07185	9.2
201.07521	0.9
217.01508	0.9
218.04613	23.0
218.08049	6.1
219.04933	1.8
227.12917	1.7
262.07230	20.9
263.07364	1.1
270.98795	3.3
300.02835	2.1
300.99936	2.1
337.11908	0.9
399.12003	100.0
400.12262	10.6
505.10022	1.5
630.34259	0.7
786.49866	0.8
867.32831	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	905.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43627	3.9
69.99838	8.4
70.00209	17.0
71.01393	10.1
80.96519	4.6
89.02464	7.6
100.01686	5.4
101.02457	6.8
103.01501	12.2
113.02449	4.8
116.92859	14.5
125.06054	7.0
125.09683	5.6
130.35373	3.9
139.07666	5.5
153.09235	5.0
165.90070	4.4
169.08728	22.8
171.10326	26.6
176.66399	5.1
197.11810	15.0
201.11401	8.0
207.10184	6.3
209.11870	60.2
225.11363	10.5
235.08260	10.2
253.09334	21.5
256.02631	4.0
287.16595	8.4
291.19641	32.5
291.97574	4.3
300.99814	8.0
305.17596	60.8
306.18021	5.6
307.19046	14.8
309.20755	100.0
310.21054	11.1
323.18634	10.6
341.23233	6.7
404.22592	5.2
500.28433	5.0
541.26422	20.3
542.26068	4.9
545.29657	12.9
699.39777	11.1
753.41180	6.3
782.40570	12.5
833.47150	6.3
851.46704	6.9
905.49158	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	905.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39558	6.1
70.81357	14.1
88.69942	6.7
89.02455	7.4
95.05005	8.0
99.69468	7.3
103.01515	21.5
116.92886	8.8
152.85469	6.7
171.10274	29.5
178.22398	7.2
179.05678	8.5
201.11346	8.3
209.11787	17.0
212.62607	7.9
216.50534	7.3
225.14998	8.3
227.00325	6.9
253.09322	26.6
291.19724	27.5
309.20776	100.0
341.23376	81.5
545.29773	14.0
577.32233	10.7
699.40131	10.4
869.52887	33.5
870.53839	8.0
905.48975	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44980	0.6
65.00316	0.9
67.06123	0.6
69.03437	0.9
70.76257	1.3
71.38957	0.5
79.01945	0.7
83.01395	2.1
95.01360	1.0
95.05030	0.6
97.02975	1.8
105.03450	1.0
107.01383	2.1
109.02969	1.0
123.00894	1.3
124.01711	1.6
125.02461	79.0
126.02799	2.2
137.02472	2.5
139.04021	1.0
143.69841	0.7
149.02451	2.5
151.00392	4.8
151.03996	0.9
152.01141	0.8
153.01939	2.5
161.02472	3.9
164.01151	0.9
165.01938	1.2
167.03481	1.3
169.01443	100.0
170.01807	3.3
173.06236	0.7
177.01909	1.0
177.05698	0.8
178.99846	3.5
179.03522	2.1
181.71602	0.7
193.01466	1.5
215.07095	0.7
219.06636	0.8
225.05528	1.2
241.05078	0.7
243.06575	1.8
259.06113	16.6
259.08667	1.2
260.06479	1.4
269.04550	14.4
270.04861	1.7
287.05603	9.7
305.06635	5.3
312.05878	0.7
331.04471	1.5
449.10910	36.0
450.11243	3.4
457.07816	12.9
458.08240	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	909.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
88.00380	0.5
88.98804	2.9
89.95222	0.6
91.48448	0.6
95.01404	0.7
97.03002	0.9
98.21704	1.3
107.01410	1.8
109.03005	0.8
117.03481	1.1
117.54327	0.7
119.05031	1.9
123.00892	1.6
125.02461	15.4
133.03017	1.2
135.04544	0.9
137.02521	0.7
145.02942	3.4
147.04529	2.7
149.02440	0.7
157.02948	0.9
160.01738	0.7
161.02434	1.5
163.04048	2.8
169.01431	12.6
173.02414	4.2
174.03125	1.1
175.00363	0.8
175.04041	3.8
176.01106	0.8
177.01938	2.9
189.01913	4.1
190.02728	6.9
191.03525	24.6
192.03758	1.1
193.01443	1.2
201.01939	3.5
203.03598	3.6
204.03653	0.7
205.01454	2.6
206.02150	0.7
217.01456	7.4
218.02109	4.2
219.03011	20.6
220.03278	1.1
221.04475	0.8
222.01801	1.9
229.01488	9.2
230.01817	1.2
231.02869	0.8
235.02489	1.5
245.00909	7.1
246.01643	3.4
247.02492	100.0
248.02831	8.2
263.02002	2.8
273.00461	9.4
274.00714	1.0
275.01935	3.6
291.01511	17.5
292.01846	2.1
295.04605	0.9
299.99149	1.7
300.99832	6.7
302.00000	0.9
303.00613	0.8
333.02377	1.5
361.05649	1.2
414.22571	0.9
417.04672	22.6
418.05020	2.3
433.04156	1.2
435.05969	1.5
551.04730	3.8
739.08185	2.0
757.08740	4.8
758.09711	0.9
909.09967	19.5
910.10504	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	909.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24670	0.2
93.44365	0.3
98.21883	1.7
98.22614	0.7
105.03406	0.3
107.01410	0.3
109.02892	0.2
114.47544	0.3
115.28683	0.3
119.05048	0.7
121.02927	0.3
125.02441	1.2
135.04541	0.4
145.02983	1.4
147.04544	1.7
159.04578	0.6
161.02444	0.8
163.04041	1.2
167.18079	0.3
169.01421	1.1
173.02448	1.7
174.03221	0.3
175.04051	1.6
189.01920	1.1
190.02731	1.7
191.03520	10.1
192.03735	0.5
201.01936	0.8
203.03569	1.4
205.01295	0.3
217.01416	3.6
218.02090	0.7
219.03003	4.3
220.03400	0.6
221.04581	0.7
229.01414	0.6
245.00931	4.7
246.01564	0.9
247.02489	100.0
248.02818	6.8
273.00449	8.5
274.00702	0.6
291.01498	31.3
292.01813	2.4
300.99771	0.6
302.90988	0.2
417.04633	9.8
418.05133	1.2
435.05701	0.8
551.04474	0.7
587.06830	0.5
605.07068	0.4
625.24005	0.3
739.07703	0.7
748.27063	0.3
757.08722	2.6
758.09216	0.8
896.97717	0.3
909.10016	3.8
910.09979	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	909.1
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.0
71.01397	1.2
71.26521	1.7
95.01394	2.1
97.02974	1.1
102.74904	1.0
107.01420	3.5
111.00820	1.0
117.03542	1.3
119.05094	2.1
121.02899	1.0
123.00905	3.4
125.02464	30.2
131.05023	2.2
133.03004	2.3
135.04532	1.6
137.02515	1.6
145.02939	4.2
147.04506	4.4
157.02992	1.4
159.04533	1.2
161.02477	3.8
163.04034	3.9
164.01271	1.1
165.01991	1.4
169.01439	30.4
173.02402	4.8
175.00325	1.7
175.04034	4.0
177.01938	3.6
180.41846	1.1
189.01926	6.5
190.02666	9.1
191.03502	32.5
192.03816	1.8
193.01361	2.4
201.01901	5.6
203.03479	5.1
204.00624	1.2
205.01456	4.1
207.03235	1.5
217.01399	10.8
218.02266	6.4
219.00848	1.7
219.02983	27.4
220.03328	2.7
221.04597	2.9
222.01630	3.9
229.01381	11.4
231.02911	1.4
235.02510	2.5
245.01019	9.5
246.01624	2.6
247.02489	100.0
248.02788	7.4
263.01990	3.9
269.04556	1.2
273.00369	8.4
275.01840	5.5
291.01480	10.1
291.71725	1.4
295.04620	1.6
300.99966	3.4
302.00122	1.1
333.02872	1.6
348.47482	1.1
361.05411	1.4
361.60532	1.0
417.04639	27.0
418.05319	2.4
435.05969	2.5
465.06793	1.2
529.26782	1.1
551.04779	4.9
729.61224	1.3
739.07617	3.6
757.08966	7.3
897.16351	1.2
909.10126	30.8
910.10480	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	910.138
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96236	1.6
64.97024	4.9
67.58040	0.4
70.66705	0.3
72.00913	4.4
73.61693	0.3
74.79047	0.4
79.95739	15.9
80.96522	8.8
95.97620	39.6
96.96038	0.5
98.21895	1.6
98.22593	0.8
100.46101	0.4
117.03567	0.4
119.05047	5.5
125.02415	1.4
133.05350	7.7
135.21182	0.4
148.07706	8.0
149.07980	0.4
169.01411	1.5
177.05583	13.7
178.05945	1.3
191.03474	1.4
191.49367	0.4
192.03949	0.5
192.06680	1.2
194.08235	47.9
195.08611	2.2
210.92227	0.4
219.03011	1.4
228.03352	1.0
247.02464	3.0
248.02812	1.8
255.67798	0.4
256.02829	1.1
274.03925	100.0
275.04242	5.9
300.99725	0.5
417.04449	0.7
418.04483	0.5
465.06891	1.1
635.08582	0.4
795.16638	0.4
872.37628	0.5
910.09186	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	911.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45292	0.6
71.26838	0.9
80.05897	0.6
107.10090	0.5
125.02442	5.0
125.10680	0.5
156.38483	0.6
161.02477	0.8
169.01399	3.4
188.13786	0.6
242.99277	0.9
247.02504	2.0
248.02940	0.9
258.01730	2.3
270.95840	0.9
270.98856	18.0
271.02383	2.0
271.99243	0.9
276.11734	0.6
283.99683	3.2
285.00424	7.3
286.01099	4.0
287.05670	0.7
289.07123	1.4
293.04990	0.6
298.98343	36.4
299.98923	5.7
300.02744	2.8
300.99878	0.7
301.03448	1.1
312.99969	8.4
314.00699	55.3
315.01074	5.3
405.01669	0.7
441.08685	0.8
447.05731	100.0
448.06058	11.7
463.08963	3.7
557.28192	0.7
610.21942	0.7
635.78314	0.6
755.26959	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	911.19
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00303	0.7
71.27206	0.6
74.29541	0.5
77.07873	0.5
83.01379	0.8
85.77386	0.4
89.36360	0.4
107.01398	3.4
108.02160	1.0
109.02944	1.7
121.02962	2.4
125.02439	0.7
135.00887	0.8
148.01686	0.9
149.02484	0.5
151.00395	11.2
163.00363	2.5
164.01157	0.5
167.04939	0.4
167.66991	0.4
169.01418	0.7
175.03946	0.6
178.99886	5.5
180.16658	0.4
199.03979	0.8
201.05560	0.7
203.03571	0.7
211.03934	1.5
215.03400	0.8
226.02641	1.8
227.03534	3.4
229.05055	0.9
239.03450	0.7
243.02983	6.7
244.03497	0.7
245.04622	1.2
254.02245	1.9
255.03014	17.9
256.03375	1.5
271.02496	41.6
272.02869	4.5
273.03922	1.5
283.02469	1.6
299.02014	13.7
300.02765	75.3
301.03522	67.5
301.07150	1.2
302.03873	5.7
315.05133	7.6
315.31604	0.5
347.02255	0.6
433.07809	100.0
434.08124	12.1
462.08188	2.3
477.10443	20.1
478.11020	2.3
647.01569	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	911.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	3.2
66.41268	0.9
67.01907	1.5
68.99829	1.8
69.15193	4.3
69.15617	4.0
72.30843	0.9
79.01881	1.2
81.03457	1.3
83.01389	7.0
85.02959	1.0
95.01367	1.7
97.02976	2.0
105.03467	1.5
107.01380	5.1
108.02228	1.5
108.57980	0.9
109.02962	4.2
115.69194	1.0
119.79799	1.3
120.62354	1.0
121.02953	1.9
122.03782	1.7
123.00907	14.6
123.04541	37.7
124.01689	1.9
124.04903	0.9
125.02464	48.0
126.02802	1.8
133.03050	1.2
137.02315	1.1
139.00381	3.2
139.04031	1.4
140.01204	1.1
141.01976	1.9
149.02469	4.6
150.03250	6.3
151.00389	27.5
151.04022	91.1
152.04373	4.4
153.01953	100.0
154.02316	4.3
161.02466	4.5
165.01933	2.3
169.01450	29.0
170.01802	1.2
177.01910	2.1
179.03522	1.3
183.03015	1.8
213.38809	1.1
248.73093	1.0
257.04602	2.6
263.27774	1.0
273.00479	2.5
275.05518	2.2
287.05606	9.0
300.99985	2.6
301.03592	1.1
303.05133	92.8
304.05490	8.0
305.06668	2.3
313.05832	1.8
348.40146	1.1
453.04810	1.8
453.10464	18.5
454.10876	2.7
457.07782	56.4
458.08093	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	911.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57250	0.9
69.57665	1.7
71.01386	1.2
78.04324	0.4
85.02975	0.9
87.00911	0.6
97.32752	0.5
98.22411	0.6
117.03474	1.2
124.52534	0.5
130.70535	0.5
132.02188	33.7
133.03065	3.2
134.02734	1.0
134.03757	18.3
135.04588	3.2
136.01677	0.6
137.02435	0.8
145.02995	0.7
147.04492	0.8
149.06105	2.5
150.03220	0.6
160.01674	100.0
161.02420	9.8
162.02908	0.5
175.04018	90.4
176.04355	5.0
178.02704	2.4
179.03540	2.5
191.07135	1.1
193.05072	14.3
194.05447	0.6
195.01808	0.5
207.06516	0.7
217.05077	0.6
235.06126	1.8
247.06102	0.7
265.07193	1.8
295.08237	0.5
319.08112	0.6
326.85806	0.5
337.09296	1.7
366.87997	0.4
388.47742	0.4
413.06097	0.5
420.54053	0.5
420.69125	0.4
481.13684	0.6
513.13995	1.7
541.15833	1.0
544.14783	0.5
559.16626	0.6
657.18481	1.2
675.19727	4.1
676.19342	0.8
693.20221	3.3
717.20520	3.0
735.21442	7.9
736.21655	2.0
785.46350	0.6
851.23901	3.0
852.23651	1.4
852.53729	0.5
869.24481	1.8
870.25073	0.7
911.26251	7.2
912.26306	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	911.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	0.9
71.27287	1.0
88.98817	6.6
113.02530	0.7
117.03489	1.4
132.02188	34.0
133.02945	2.7
134.03760	16.0
135.04532	2.4
136.01730	0.9
137.02455	0.7
145.02988	1.3
147.04587	1.1
149.06099	3.1
150.03223	1.0
151.04039	0.9
160.01677	100.0
161.02371	6.7
163.03964	0.8
165.05585	0.7
175.04019	93.7
176.04352	3.5
177.01840	0.7
178.02774	3.3
179.03519	1.7
191.07214	0.9
193.05086	10.2
207.06525	0.7
216.09645	0.7
235.06137	1.5
265.07175	1.6
319.25104	0.7
337.09222	1.9
481.12738	0.7
499.13864	0.9
513.13678	1.4
675.19147	4.4
693.20367	4.5
717.19550	2.4
735.21326	9.1
736.21375	2.1
851.24005	4.6
869.24542	1.0
911.26343	5.7
912.26434	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	913.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39771	3.7
71.50518	1.2
83.01394	2.5
93.03451	1.4
105.03442	3.4
107.01416	1.5
109.02979	6.1
117.47471	1.3
119.05067	2.1
121.02977	4.2
123.00926	2.7
124.01637	3.4
125.02461	100.0
126.02778	1.7
131.05058	2.0
132.02185	1.7
133.02989	2.4
137.02461	10.3
139.04016	5.0
143.05035	1.7
149.02460	6.0
151.04002	8.5
153.01981	6.3
155.21289	1.2
161.02452	19.8
162.02852	1.9
163.00374	4.7
163.04012	3.9
164.01192	2.5
165.01955	5.0
166.02742	1.4
167.03523	6.5
169.01454	10.8
171.04543	1.4
175.04015	17.0
177.01949	68.4
177.05507	2.6
178.02354	2.4
179.03453	2.1
183.04495	2.1
187.04033	3.3
189.01927	2.1
189.05576	1.4
191.03511	3.6
193.01477	3.0
193.05020	1.3
199.04048	6.4
201.01950	4.4
201.05594	2.6
203.03517	3.6
205.05078	1.9
211.03976	2.3
213.05655	1.5
215.03517	2.1
217.05087	7.6
218.05429	1.4
219.03038	3.4
219.06767	1.9
227.03557	3.9
229.01468	3.9
229.05075	3.6
231.02893	3.2
239.03481	1.5
241.05048	4.6
243.02982	13.6
245.04570	3.7
247.02371	1.3
255.02992	7.4
256.03668	3.7
257.04514	3.4
261.03998	4.0
267.03015	2.0
269.04535	8.9
273.04056	6.7
283.02579	6.8
283.05798	1.8
285.04080	36.8
285.07318	1.9
286.04440	3.8
287.05640	9.8
289.03510	1.8
295.02652	1.7
297.04068	7.7
301.03528	3.6
303.05109	7.6
305.06793	9.5
309.04361	1.9
315.05200	2.0
319.04730	3.2
337.07114	1.8
367.08371	1.5
369.75522	1.4
379.08374	3.6
405.06201	4.7
411.07367	5.0
421.05756	2.3
423.07281	68.9
424.07608	4.8
435.07190	5.1
441.08340	4.7
447.07233	8.5
457.07770	2.1
465.08133	9.4
483.09283	2.0
555.09290	1.4
558.46039	1.4
573.10535	11.3
574.10870	1.8
591.11627	23.9
592.11981	3.7
593.09375	1.7
609.12665	6.8
610.12421	1.4
613.04498	1.8
617.09589	1.7
743.12427	2.9
761.13171	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	913.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78352	1.1
68.99560	1.1
69.03449	3.8
71.01032	1.7
71.01392	21.7
72.99320	2.2
73.02938	3.0
81.03432	1.1
83.01392	2.4
84.61501	1.0
85.02969	6.7
87.00886	5.1
89.02456	18.8
95.01413	2.5
97.02961	3.2
98.22160	7.1
101.02457	18.1
109.06644	1.0
111.00880	3.0
111.04578	1.2
113.02454	9.5
113.09725	1.4
119.03511	5.1
125.02467	6.1
139.07823	1.0
141.09245	1.4
143.03496	2.6
161.04538	3.5
165.12840	2.4
167.10797	4.2
167.14363	1.3
177.12869	1.8
179.04311	1.0
179.05643	6.4
179.10919	1.6
179.14432	3.3
181.12318	2.2
193.12303	1.7
195.13907	11.7
205.12349	7.3
211.13379	4.7
221.06754	2.5
221.11858	3.2
221.15417	2.7
223.13409	68.8
224.13699	4.5
235.08237	4.4
239.12883	1.7
247.20634	3.9
255.16052	2.6
263.20148	1.6
273.18619	3.2
281.21222	1.2
289.18250	1.2
291.19690	35.8
291.22922	2.2
292.20059	3.1
293.21292	4.2
309.20749	100.0
310.21091	8.9
328.01193	1.2
379.12311	2.1
397.13568	34.4
398.13629	2.6
415.14719	10.4
497.32651	2.3
621.27472	5.5
622.28186	1.6
689.33789	6.4
690.34509	1.8
707.34760	11.2
708.35217	2.5
895.46710	1.7
913.48077	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	914.237
Annotation	Unknow
Peak:m/z	Relative Intensity
82.59843	0.4
86.69852	0.4
88.98843	0.4
98.43805	0.4
105.91441	0.5
110.03155	0.5
117.03476	39.5
118.03802	1.4
119.05036	8.6
120.05374	0.7
123.58375	0.4
132.02180	1.5
133.02950	1.9
134.03717	3.1
135.04518	1.4
145.02965	100.0
146.03307	3.9
149.06125	0.6
160.01663	6.1
161.02473	5.6
161.06061	0.5
163.04034	8.1
175.04022	8.6
176.04607	1.1
177.05606	0.7
178.02802	0.6
179.03531	1.2
191.07199	0.8
193.05038	2.9
198.49173	0.5
217.05064	0.7
235.06148	2.7
265.06912	0.5
307.08365	0.7
645.18518	0.7
663.19165	1.9
675.19446	1.2
687.19879	0.7
705.09528	0.6
705.20514	7.0
706.20538	1.5
791.21991	0.7
809.23621	2.6
810.23462	1.2
834.74921	0.6
851.24066	28.9
852.24463	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	915.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.4
69.03461	1.4
70.19009	0.9
71.01389	3.3
73.02959	4.1
79.01926	0.3
81.03449	0.4
83.01395	1.6
85.02966	0.5
86.68197	0.3
89.02473	0.5
95.01418	0.8
97.02991	1.4
101.02445	4.0
113.02470	1.4
123.00932	0.3
124.01665	0.6
125.02460	55.3
126.02791	1.4
131.03529	0.2
136.02350	0.2
137.75385	0.3
143.03488	0.5
146.53943	0.2
147.39365	0.3
149.04576	0.6
161.04601	1.2
168.00633	0.5
169.01442	100.0
170.01781	3.3
193.85674	0.2
286.49933	0.2
407.18054	0.3
413.60571	0.3
497.16699	20.3
498.16943	3.0
550.45825	0.3
620.13062	0.3
710.68182	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	916.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25953	100.0
83.35526	60.7
93.47615	65.9
101.24839	64.7
112.80924	66.7
129.42847	84.0
141.33427	63.8
428.47235	72.8
637.25238	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64674	71.9
73.02934	72.1
78.10779	81.7
80.96534	100.0
83.04966	74.1
84.88486	71.4
99.75436	77.2
116.51426	76.2
117.63011	66.3
164.53139	80.0
252.74103	84.3
359.63818	85.0
827.16736	87.1
917.44550	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27349	9.2
90.96604	4.5
93.03462	5.9
107.01398	5.9
109.02955	11.2
110.78939	4.8
123.00896	8.2
123.04540	10.8
125.02465	100.0
126.02776	5.3
137.02455	17.3
137.49915	4.0
149.02483	6.5
151.00409	11.9
151.03983	13.9
159.04495	7.1
161.02466	11.6
163.00362	10.0
165.01834	7.5
169.01439	67.2
170.01794	9.0
175.04001	11.1
177.01906	6.5
185.02275	4.8
193.01379	8.6
203.07263	5.5
215.63954	5.1
217.01437	4.8
219.03139	5.3
227.03445	8.9
231.03012	8.0
245.00980	5.4
247.02541	28.4
253.04971	4.9
255.03049	11.7
269.04517	13.3
271.06186	7.1
273.00397	10.0
284.03183	6.3
285.03998	9.3
289.07205	13.0
290.07462	5.1
291.01431	9.9
297.04218	6.1
303.05099	6.2
315.05161	18.4
316.05554	5.3
362.31039	4.5
407.07742	30.1
417.08432	9.5
559.12512	5.7
711.12952	7.1
729.14392	19.4
730.15240	5.8
881.15906	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	917.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45097	0.9
68.08824	0.8
69.03463	1.2
69.79520	1.6
69.79926	2.6
71.01392	15.7
72.99310	2.1
73.02962	2.3
80.02675	1.7
81.03462	2.3
83.01395	1.9
83.05030	5.8
85.02957	3.0
87.00891	3.9
89.02466	14.1
95.01414	1.0
95.05058	1.0
96.96024	10.4
97.02973	2.5
98.21934	1.2
98.22443	0.8
99.00893	1.6
101.02455	11.1
111.00885	1.1
111.08233	1.0
113.02471	5.7
119.03493	4.4
119.32634	0.9
125.02442	7.2
125.06052	0.9
125.09699	1.0
135.08176	1.5
141.02020	1.2
141.12917	0.8
143.03520	1.4
161.04579	3.1
163.11327	7.9
165.12856	6.5
169.01376	1.4
169.32899	0.7
171.10284	3.5
179.05640	3.6
179.14418	1.4
181.12395	2.3
191.10846	1.6
193.16008	2.0
197.11853	3.7
199.13428	1.3
209.11848	100.0
210.12187	6.1
211.13379	4.2
221.06776	1.9
223.13405	2.5
225.11308	1.3
227.12914	14.4
229.14432	1.0
235.08263	5.5
247.20680	4.7
273.18491	1.4
279.74289	0.9
287.07751	1.0
291.19675	50.9
292.19992	5.2
299.99252	1.1
301.00055	1.5
305.08899	1.5
307.19318	1.6
309.20743	88.0
310.21033	7.5
311.20383	1.0
323.09793	1.4
329.21298	2.0
347.22415	1.5
379.12631	1.7
397.13568	33.4
398.13913	3.2
415.14600	13.7
416.14828	1.3
490.38885	0.9
493.33475	0.9
501.32632	1.0
607.26166	1.1
650.74774	1.2
899.46094	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	917.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.7
70.59415	2.1
71.01389	21.6
72.99302	1.9
73.02932	2.5
75.00892	0.9
80.02684	1.3
81.03447	2.0
83.01387	2.5
83.05039	7.1
84.02172	0.7
84.78874	0.7
85.02960	5.2
86.94955	0.7
87.00890	4.6
89.02456	16.9
95.01385	1.7
95.05010	1.0
96.96022	1.7
97.02967	3.1
97.06606	1.3
99.00872	1.3
100.01732	0.8
101.02451	15.8
109.06564	0.9
111.08163	1.6
113.02474	7.4
113.09753	1.3
115.07642	1.5
116.92871	1.2
119.03540	5.0
125.02456	6.0
125.06030	1.3
125.09696	1.0
131.03523	1.0
135.08148	1.6
141.01913	0.9
143.03514	2.1
161.04572	3.2
163.11311	6.8
165.12865	5.7
167.14424	2.1
171.10248	1.9
179.05637	6.3
181.12350	3.3
191.10794	1.7
193.12361	1.6
193.15839	1.0
195.13950	1.3
197.11850	3.6
199.13457	0.8
201.11325	1.4
207.10219	0.7
209.11850	100.0
210.12187	5.7
211.13423	8.0
221.06664	3.2
221.15582	1.7
223.07372	0.7
225.11479	1.3
227.12927	17.5
228.13298	1.2
235.08215	3.8
241.14473	0.9
247.20677	2.4
251.61703	0.7
253.09361	1.2
263.07739	0.9
273.18521	2.2
275.02008	0.8
281.21078	1.0
291.19693	30.8
292.20038	3.7
305.08826	1.4
307.19302	2.9
309.20743	90.0
310.21106	9.3
323.10028	1.3
325.20255	0.9
347.22510	0.9
375.36084	0.7
379.12509	1.9
397.13519	34.2
398.13855	2.9
415.14636	10.7
416.14905	1.6
483.31787	0.7
513.07861	0.7
607.26208	1.1
689.33844	3.6
707.34930	8.3
708.35303	1.9
899.46228	3.3
900.46509	0.9
917.46625	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	919.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	3.6
69.24530	2.7
69.24933	1.0
71.01399	2.8
72.99293	0.5
75.00874	0.6
82.45104	0.5
83.01383	2.2
85.02959	1.6
88.43848	0.4
91.01909	0.6
93.03481	0.7
93.49927	0.6
95.01402	0.6
99.00916	0.5
103.00354	0.5
107.01414	7.2
108.39223	0.5
109.02959	4.6
113.02475	1.4
119.01395	0.5
121.02969	6.4
125.02444	3.0
131.42786	0.5
135.00871	0.7
145.03062	0.4
148.01683	0.8
149.02432	1.1
150.45334	0.5
151.00392	31.5
152.00735	1.1
159.04543	0.6
161.02496	0.6
163.00403	5.0
167.05023	0.6
169.01479	3.0
170.01686	0.6
173.06032	0.6
175.02512	1.2
178.99876	15.1
180.00146	0.5
183.04494	0.9
187.03960	1.0
193.01424	0.7
201.05592	1.2
211.04036	1.3
214.02774	0.6
227.03519	2.0
229.05078	1.9
243.02988	0.7
245.04581	3.8
255.03000	4.1
256.03610	0.8
257.04477	0.8
271.02515	1.4
273.04016	2.1
283.02444	2.4
300.02853	1.1
301.03561	100.0
302.03867	7.6
377.59735	0.5
397.34830	0.4
477.06775	68.3
478.07092	7.7
506.81140	0.5
518.77777	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	919.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	4.4
66.30677	0.4
66.34675	0.5
71.01383	2.6
71.26987	0.7
72.58605	0.4
72.99281	0.5
83.01395	2.4
85.02946	1.6
93.03452	1.1
93.81989	0.4
103.00372	0.6
107.01414	7.1
109.02930	3.9
112.04144	0.4
113.02474	1.6
119.01397	0.9
121.02968	7.0
123.04545	0.7
125.02475	3.0
135.00908	0.7
135.04483	0.5
137.02444	0.8
143.04965	0.5
149.02434	1.4
151.00383	31.4
152.00723	0.7
152.03026	0.5
153.41885	0.5
159.04498	0.7
161.02478	0.9
162.97722	0.4
163.00389	4.2
164.01147	0.6
165.01924	0.5
169.01437	5.0
175.02499	1.3
175.03937	0.7
178.99873	16.0
181.34251	0.5
183.04527	1.0
185.06047	0.5
187.04028	1.0
193.01498	0.8
201.05574	1.1
203.07202	0.5
205.05193	0.6
211.03967	1.8
227.03502	1.7
229.05032	1.8
239.03691	0.6
243.03029	0.7
245.04529	4.2
255.02962	4.2
256.03607	0.9
257.04547	0.9
271.02505	0.8
272.03250	0.6
273.04077	3.2
283.02435	2.9
289.07291	1.1
299.99106	1.5
300.02676	0.6
301.03558	100.0
302.03885	7.7
315.01578	1.2
477.06766	62.3
478.07095	7.9
617.12097	0.5
734.75623	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	921.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.3
67.01887	2.9
69.30700	11.0
71.01377	1.5
93.03475	4.0
95.01392	12.0
107.01414	2.1
111.00833	1.4
117.03450	3.8
121.02973	2.1
123.00901	24.4
125.02471	18.1
133.03006	3.0
137.02487	7.6
137.97334	1.6
139.00372	2.2
143.01369	1.9
145.02969	7.1
147.00826	1.9
147.04549	5.0
148.01764	1.8
149.02400	3.0
157.02997	3.5
159.04553	2.2
161.02455	10.2
163.04054	4.3
165.02032	2.3
166.99898	11.9
168.00639	1.5
169.01393	12.9
171.00893	4.4
173.02464	8.0
175.04021	3.8
177.01953	3.6
177.05579	1.6
179.03491	2.5
185.02451	5.1
187.00369	4.3
188.01277	1.6
189.01921	8.3
190.02728	3.6
191.03520	13.3
193.01427	2.1
199.00381	3.0
200.01088	1.9
201.01938	10.2
203.03508	8.1
205.01421	2.1
209.00818	2.0
213.02010	1.4
214.99899	5.4
216.00557	2.1
216.38159	1.5
217.01414	11.3
219.03070	7.4
226.99895	5.4
228.00714	1.6
229.01433	14.3
231.03030	5.5
235.02385	2.9
242.99321	8.8
244.00166	3.3
245.00909	18.6
246.01384	3.1
247.02458	30.4
248.02856	2.1
249.03983	2.3
254.99356	3.0
257.00897	4.8
259.99527	1.9
261.00327	2.2
263.01965	2.3
270.98849	31.1
271.99292	5.1
273.00409	27.5
274.00992	1.8
275.01929	10.9
283.99753	2.0
287.95920	1.7
291.01413	9.7
298.98343	38.3
299.98969	14.3
300.99936	100.0
302.00351	8.5
302.57001	1.6
328.77859	1.5
417.04276	1.9
433.08029	2.5
638.02875	1.7
715.05597	3.9
717.07404	11.9
718.07458	3.3
769.08960	2.0
795.06439	4.2
875.09589	3.8
876.08881	2.3
884.93646	1.7
885.07941	12.3
886.07520	2.3
903.09521	8.8
904.09192	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	921.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18269	8.1
69.18675	2.8
78.53434	1.3
90.60548	1.5
94.41734	1.3
94.59696	1.4
97.10209	1.5
125.02476	10.5
128.01482	1.4
137.35088	1.4
148.78523	1.2
161.02487	1.8
169.01457	12.2
170.01781	1.6
191.03531	2.1
201.01860	1.5
216.00684	2.1
216.67523	1.3
229.01419	2.8
239.53687	1.6
240.49995	1.5
247.02478	4.3
257.01001	1.9
257.21924	1.8
273.00308	2.3
299.99146	66.9
300.99890	52.2
302.00272	4.8
412.89651	1.5
453.06985	3.7
463.05246	100.0
464.05612	10.7
510.21255	1.6
673.02448	1.8
848.95599	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	923.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25214	1.7
88.98814	26.6
95.01365	1.3
98.22284	0.9
106.38500	1.1
117.03457	2.0
119.01421	0.9
119.05053	1.9
123.00932	2.0
125.02449	1.4
133.02965	3.6
137.02463	1.3
145.02960	4.1
147.04520	3.1
149.02444	1.5
149.78664	1.0
159.04495	1.3
161.02448	4.6
163.00397	2.2
163.04037	3.5
169.01474	1.6
171.00893	4.1
173.02467	5.8
175.04057	2.9
187.00301	1.8
189.01955	6.7
190.02666	2.3
191.03506	12.2
192.03931	1.1
199.00365	3.4
201.01961	5.6
202.02525	0.9
202.99797	0.9
203.03497	3.7
205.01405	1.4
206.20297	1.0
209.19513	1.0
214.99939	1.2
217.01440	15.2
218.01961	2.0
219.03014	7.7
226.99820	5.3
229.01506	6.5
230.02188	1.1
231.02956	3.2
233.00691	1.2
242.99307	3.2
245.00917	18.2
246.01497	3.6
247.02486	100.0
248.02831	6.3
249.04123	3.5
254.99373	1.3
257.00928	5.2
261.00525	1.9
263.01959	1.1
270.98868	15.5
271.99396	1.4
273.00436	40.8
274.00873	3.7
275.01971	12.4
276.02380	1.6
283.99701	1.0
288.99783	2.0
291.01498	47.0
292.01868	3.3
298.98413	13.7
299.99033	3.9
300.96503	2.1
300.99908	31.8
302.00180	2.5
319.00879	1.3
399.03470	2.9
417.04575	9.0
418.05191	1.0
435.05692	3.3
587.06848	1.2
719.05054	1.0
735.04816	5.4
783.05896	2.0
870.12152	1.0
887.06189	2.2
905.06885	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	923.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
77.18226	1.8
83.95906	1.9
95.01399	2.8
98.22155	11.2
103.15319	1.8
113.73960	2.1
117.03471	1.8
121.03027	1.7
123.00894	4.2
125.02451	7.3
131.01361	2.8
135.04523	2.6
137.02443	2.2
143.01379	3.3
145.02966	8.8
147.00815	4.6
147.04498	1.9
149.02454	2.0
158.39934	2.1
159.00806	2.2
161.02466	6.4
163.00414	7.4
163.04044	3.1
169.01462	6.5
171.00908	5.8
173.02467	7.2
175.04106	2.1
177.01759	1.8
187.00418	4.7
189.01935	12.6
191.03503	5.8
199.00317	2.8
201.01935	6.2
203.03662	2.1
209.00989	2.7
214.99893	6.7
216.00662	6.4
217.01439	14.7
226.99916	4.7
229.01472	4.0
231.02945	3.3
241.05356	1.8
242.99341	9.3
244.00119	6.1
245.00945	32.8
247.02464	26.1
248.02849	2.6
248.85748	1.7
249.04022	3.9
257.00903	2.8
259.99527	1.9
261.00342	2.9
270.98868	100.0
271.99191	11.4
273.00464	46.4
273.02869	1.2
274.00861	4.0
275.01974	6.6
287.99075	3.6
288.99875	13.1
291.01553	8.8
298.98578	11.6
299.99130	19.3
300.99936	71.8
302.00217	10.1
303.00540	2.9
361.28513	2.2
433.04138	4.1
475.05203	12.1
476.05777	3.2
603.06543	2.7
605.08179	4.0
613.04956	8.2
631.05786	4.2
735.04541	8.6
887.07233	3.1
923.07935	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	923.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91985	0.7
69.04083	2.0
69.04502	4.1
69.40503	0.7
83.63603	0.6
93.43192	0.7
95.01408	0.7
105.03442	0.6
117.03461	0.9
119.05008	1.4
121.03007	0.8
123.00887	1.5
125.02428	2.6
133.02979	1.3
135.04608	0.9
143.01421	0.9
145.02942	4.6
147.00943	0.9
147.04526	1.8
151.00369	0.7
155.01389	0.8
159.00890	1.1
161.02502	3.8
163.03990	3.1
165.01964	0.7
169.01393	1.6
171.00882	2.7
173.02435	4.8
175.04036	2.6
177.01949	1.4
187.00420	1.5
189.01961	5.2
190.02719	2.8
191.03510	11.4
198.85202	0.8
199.00394	3.4
201.01949	3.3
203.03426	1.6
205.01396	0.9
214.99866	1.3
216.00577	0.9
217.01451	12.9
218.02051	2.1
219.02988	6.5
226.99840	5.2
229.01431	3.0
242.99414	1.9
244.00117	1.6
245.00935	17.0
246.01540	3.0
247.02490	100.0
248.02882	6.4
249.04073	1.0
261.00244	0.9
263.43265	0.6
270.98862	19.2
271.99316	1.4
273.00443	36.8
274.00787	3.5
275.01892	1.3
288.99973	1.4
291.01508	52.9
292.01767	3.6
298.98340	14.8
299.98840	2.0
300.99942	8.5
302.00195	1.5
399.03601	3.0
417.04745	8.5
418.05106	1.4
435.05499	3.8
536.66888	0.8
569.05701	1.3
587.06610	2.3
605.08032	2.0
613.05090	1.3
631.05615	1.4
689.56183	0.7
735.04620	1.9
887.07233	1.0
905.08209	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	923.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72793	0.4
68.64301	0.3
69.61968	0.8
69.62373	1.7
74.83986	0.4
93.14357	0.5
98.22485	0.7
169.01360	0.6
172.01642	0.7
200.01149	0.9
201.01826	0.6
216.00575	1.8
228.00565	0.5
229.01326	1.1
242.99269	1.2
244.00069	1.5
244.56590	0.4
245.00706	0.6
247.02364	0.5
257.73660	0.4
270.98926	0.8
271.02457	0.5
271.99609	0.4
282.98846	0.6
298.98441	1.0
299.99127	100.0
300.99844	41.0
301.02960	0.8
302.00186	2.4
363.38525	0.4
447.09210	1.3
475.05222	86.8
476.05576	11.0
504.91135	0.4
607.33795	0.5
862.50232	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	923.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.7
67.01870	1.2
68.99826	1.3
71.26874	0.8
71.27251	1.3
71.61945	0.6
81.03454	1.3
83.01395	6.3
85.02956	0.7
95.01436	0.7
96.96045	1.8
97.02950	0.8
103.24470	0.6
105.03490	1.1
107.01401	3.2
108.02220	0.8
109.02969	3.9
121.02966	2.1
122.03758	1.4
123.00893	8.7
123.04536	28.2
124.04785	0.6
125.02458	57.3
126.02799	1.9
126.60600	0.6
133.02980	1.0
137.02477	1.7
139.00420	2.5
139.04012	1.2
141.01978	1.7
147.04558	0.7
149.02483	5.4
150.03232	4.6
151.00388	27.4
151.04015	82.7
152.00800	1.9
152.04318	3.6
153.01945	85.0
154.02275	3.0
161.02481	4.2
163.00398	1.7
164.01138	1.1
165.01973	0.9
166.99895	0.7
169.00000	1.1
169.01440	19.7
170.01732	0.9
175.04056	3.7
176.01143	1.7
177.01945	6.5
178.99837	3.5
179.03442	0.8
181.01477	0.8
183.02998	1.6
189.05568	1.0
191.03577	0.8
199.04056	2.1
213.05447	0.7
217.05055	2.4
241.05060	2.1
257.04553	4.7
259.06180	1.1
269.04532	0.8
275.05630	4.8
285.04062	21.0
286.04373	2.2
287.05655	5.4
296.68921	0.7
301.00024	0.8
303.05127	100.0
304.05447	7.7
305.06595	2.1
331.04572	0.7
397.76022	0.6
447.08990	1.2
457.07751	49.8
458.08121	6.5
465.10242	8.6
466.10812	1.2
496.65714	0.7
825.24835	0.8
935.30609	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	923.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	1.5
72.84371	0.5
85.02966	0.7
88.42750	0.5
91.79912	0.5
93.03462	0.7
97.02967	0.8
100.94891	0.5
101.02458	1.1
113.02393	0.5
116.92909	0.7
117.03485	23.5
118.03846	0.7
119.05048	12.8
121.03010	0.6
123.04558	0.6
125.02470	0.7
127.09260	0.5
132.02187	35.4
133.03033	5.3
134.03775	12.9
135.04567	2.5
137.02414	0.7
145.02968	51.0
146.03325	1.8
147.04579	0.9
149.06116	2.3
160.01677	100.0
161.02454	14.3
161.31757	0.5
163.04019	9.1
175.04016	80.5
176.04410	4.2
177.05618	0.8
178.02710	1.5
179.03525	2.2
191.07123	1.2
193.05072	9.4
194.05663	0.7
217.05162	1.0
230.08600	0.9
235.06189	2.9
247.06001	1.0
259.06311	0.6
289.07309	1.6
307.08118	0.8
319.07959	0.7
439.12085	0.5
483.13055	2.4
565.27649	0.6
603.27814	0.5
687.19019	1.8
705.20459	2.6
706.20056	1.0
729.19763	2.3
730.20319	0.6
735.21222	1.0
747.21564	9.8
748.21112	1.4
752.88940	0.6
777.21692	2.0
821.22314	0.6
836.73169	0.7
863.22894	1.7
881.25323	4.7
882.24310	1.6
923.26117	15.0
924.26196	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	924.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97029	4.8
68.07538	0.2
71.27164	0.4
72.00917	3.4
79.95743	18.5
80.96523	8.6
84.23086	0.2
95.97623	35.1
96.96042	0.3
98.22251	0.2
103.61954	0.2
106.04243	0.3
109.40868	0.2
117.46957	0.3
118.35955	0.2
119.05037	4.3
121.02961	0.4
125.02414	0.7
133.03081	0.2
133.05357	7.6
133.06439	0.4
134.06097	0.4
145.50288	0.2
148.07709	9.9
149.07968	0.5
155.80525	0.2
169.01483	0.4
177.05585	13.9
178.05939	0.6
191.03601	0.3
192.06683	0.8
194.08240	44.2
195.08586	2.4
217.01547	0.3
228.01241	0.3
228.03456	0.9
245.00807	0.4
247.02510	0.7
256.02945	1.6
273.00406	0.6
274.03931	100.0
275.04272	5.2
300.99805	0.4
893.46191	0.2
948.66028	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	924.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70905	9.8
79.47107	4.5
81.04167	4.7
82.82961	4.2
87.56331	4.9
88.74152	5.5
97.09979	4.8
117.03474	21.8
125.27782	4.5
132.02197	42.2
134.03749	12.1
145.02979	27.0
160.01671	100.0
161.02138	12.7
175.04013	84.9
176.63391	5.1
193.05058	13.2
235.06032	5.4
250.26280	4.7
440.70453	5.2
861.24866	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91976	0.5
82.25697	0.4
105.03489	0.8
109.02954	1.3
117.03502	0.6
119.04967	0.8
121.02965	0.7
123.00942	0.9
125.02462	13.5
126.02818	0.8
133.03000	0.9
135.04523	0.7
137.02420	0.8
145.02939	3.0
147.04529	1.9
151.00356	0.7
151.04012	1.9
153.77759	0.4
159.04503	0.9
161.02489	2.7
163.03996	2.6
169.01433	7.0
173.02422	3.4
174.03264	0.7
175.04070	2.2
177.01891	1.3
179.03421	0.5
185.02525	0.5
189.01944	2.3
190.02733	1.9
191.03520	9.3
192.03864	0.7
193.01381	0.7
201.01961	2.0
203.03522	1.5
205.01453	0.5
205.05183	0.5
217.01419	10.3
218.02022	0.7
219.02977	5.8
229.01402	1.9
231.03003	1.6
243.02881	0.9
245.00923	10.0
245.03520	0.6
245.04642	0.9
246.01518	2.0
247.02487	100.0
248.02808	6.2
249.03986	1.8
257.00851	1.1
269.04608	0.8
273.00443	24.9
274.00705	2.4
275.02066	3.4
287.05814	0.5
289.07248	1.0
291.01495	36.8
292.01904	2.6
300.99994	6.5
301.03336	1.0
302.00269	0.5
303.05103	1.0
319.00931	0.6
333.02615	0.6
351.08072	0.5
363.03378	0.7
380.88962	0.5
387.04605	0.5
393.05124	0.6
417.04630	3.1
435.05704	4.1
437.34497	0.5
441.08206	0.5
453.06891	2.8
486.50943	0.6
520.60175	0.6
545.05701	1.6
587.07141	1.0
605.08002	9.8
606.07977	1.3
907.08423	3.4
908.08826	1.0
925.09564	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	925.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00275	1.5
83.01361	1.0
90.66031	0.4
93.03419	0.5
107.01397	3.6
108.02130	1.1
109.02947	3.0
110.10531	0.5
111.13913	0.4
121.02971	3.5
125.02448	4.8
126.02743	0.4
135.00853	0.9
137.02347	0.6
139.03995	0.5
146.84558	0.4
148.01611	1.3
149.02357	0.8
151.00385	15.1
151.03885	0.6
152.00694	0.5
159.04440	0.7
161.02452	0.8
163.00381	3.5
163.78932	0.4
164.01073	0.5
169.01430	4.7
171.04527	0.5
175.03900	1.0
178.98427	0.5
178.99857	6.7
187.03944	0.7
190.99866	0.5
199.03915	1.3
201.05499	1.0
211.03957	1.4
215.03474	1.1
226.02643	0.6
227.03539	2.4
228.95053	0.5
229.01437	0.5
229.05042	1.1
231.25909	0.6
239.03345	0.7
242.02115	0.8
243.02997	7.9
244.03207	1.1
245.04529	2.3
247.02472	0.8
254.02223	0.8
255.02972	18.7
256.03363	1.6
257.04465	0.9
271.02493	33.9
272.02887	3.0
273.00595	0.4
273.03976	1.4
283.02441	2.2
284.03165	0.5
285.03809	0.7
286.04929	0.5
289.07007	0.5
299.01904	1.7
299.99188	8.4
300.02707	65.1
300.99664	9.0
301.03464	61.7
301.99899	4.2
302.03851	4.6
303.00424	0.9
303.04996	0.7
314.04343	2.5
315.04987	0.7
447.09348	100.0
448.09659	11.4
475.05328	4.0
476.05435	4.1
477.05066	9.1
477.11304	3.0
478.11362	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	925.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31959	1.5
71.01375	0.3
77.01164	0.2
84.91566	0.2
85.03007	0.3
87.00860	0.3
89.03986	0.5
93.03473	0.3
98.21762	0.4
109.65784	0.2
113.02536	0.3
115.14039	0.2
117.03478	46.9
118.03819	1.9
119.05037	11.1
120.05412	0.3
131.04985	0.2
133.06616	0.6
136.01692	0.3
145.02969	100.0
146.03310	4.1
146.04384	0.3
159.04506	0.4
161.06085	1.1
163.04030	7.5
164.04425	0.4
173.06143	0.3
177.05603	0.3
187.04016	1.1
205.04996	1.1
217.05049	0.5
235.06137	0.7
265.07248	1.3
285.29095	0.2
289.07178	0.5
301.00275	0.3
307.08267	0.6
382.34589	0.2
432.59689	0.2
453.11966	1.8
481.40021	0.2
615.17297	0.8
616.16479	0.3
633.18335	3.3
634.18658	0.4
761.20795	0.9
779.21985	11.7
780.22369	2.3
925.25665	6.0
926.26190	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	925.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.2
71.54881	2.9
72.54387	3.4
72.90447	3.4
81.03493	5.0
83.05090	3.0
89.02448	3.6
96.62844	3.4
96.96005	3.3
98.21886	17.4
98.22606	8.1
101.02448	5.2
113.02449	7.0
115.81581	3.3
116.92887	3.6
125.06171	3.3
125.09749	5.4
127.07635	5.0
139.66335	3.1
153.09236	9.2
161.04631	3.9
165.12881	5.6
169.01381	8.4
171.10291	14.5
180.61432	2.9
181.12344	6.6
185.11845	7.0
188.96254	3.0
197.11891	8.1
209.11826	53.3
210.12212	3.6
211.13452	5.1
235.08264	7.2
247.20592	5.1
253.09303	14.3
273.18582	3.5
289.18112	15.4
291.19714	46.3
301.00046	5.5
307.19193	76.1
308.19684	5.9
309.20734	100.0
310.21017	13.8
325.20300	21.5
527.28412	5.3
543.28058	19.3
545.29913	14.7
635.64673	3.4
766.41473	8.4
835.48633	7.6
880.44641	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	927.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	2.8
71.01390	2.8
83.01387	2.6
85.02958	1.2
87.00867	0.4
91.01871	0.5
93.03458	0.8
93.49929	0.3
95.01403	0.6
99.00876	0.8
107.01399	6.4
107.04897	0.3
109.02968	3.2
113.02458	1.4
115.00400	0.3
119.01456	0.5
121.02973	6.2
121.62969	0.3
125.02464	0.6
135.00893	0.7
139.04030	0.7
148.01733	0.6
149.02440	0.9
151.00383	28.7
152.00742	0.8
159.04477	0.5
159.10176	0.3
163.00377	4.4
169.01431	1.5
173.06140	0.3
175.02475	1.4
175.03909	0.5
178.99869	13.7
180.00243	0.4
183.04555	0.6
185.02466	0.4
187.03964	0.7
190.99973	0.6
192.00652	0.3
193.01337	0.6
201.05624	0.8
203.03552	0.8
211.04071	1.7
212.04617	0.4
214.02748	0.6
215.03561	0.4
227.03563	1.7
229.05026	2.1
239.03517	0.7
243.02946	0.6
245.04536	3.0
247.02554	1.1
255.02927	3.9
256.03610	0.7
257.04681	0.7
259.02335	0.6
266.02344	0.6
270.01694	0.4
271.02448	3.2
273.04044	2.7
283.02484	2.6
287.02094	1.7
300.02805	0.7
301.03555	100.0
302.03903	7.9
316.02234	6.4
317.02905	1.9
373.03860	0.3
449.07266	5.1
450.07529	1.0
460.63205	0.4
477.06775	59.7
478.07077	7.5
539.53094	0.4
557.50934	0.4
799.49835	0.5
905.59698	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	927.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	0.7
68.99676	0.3
68.99961	3.7
82.00574	0.3
83.01397	0.4
83.17437	0.3
92.09989	0.5
107.01385	1.3
108.02213	0.8
109.02909	1.0
118.29746	0.3
121.02947	1.5
125.02484	2.2
135.00867	0.6
137.02455	0.5
145.02907	0.4
148.01642	1.1
149.02390	0.4
149.58177	0.3
151.00375	7.6
163.00449	1.8
169.01517	1.8
178.99876	3.7
183.04524	0.4
187.04034	0.5
199.03986	0.5
226.02669	1.0
227.03505	1.4
229.04988	0.4
236.49130	0.3
243.03018	6.9
245.04659	0.8
254.02150	1.4
255.03006	16.1
256.03345	1.5
271.02512	37.4
272.02933	4.0
273.04013	1.0
283.02518	1.1
299.01996	1.1
300.02780	79.4
301.03479	31.7
301.07162	0.4
302.03836	2.2
329.13647	0.5
463.08887	100.0
464.09171	11.3
622.06665	0.4
627.08746	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	927.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	1.9
67.01890	0.8
73.37411	0.8
83.01375	0.9
93.03463	4.6
107.01431	1.3
111.00913	4.5
115.05540	1.0
117.03467	7.0
119.05036	49.1
120.05376	1.2
124.01694	2.4
125.02484	0.9
128.50410	0.8
134.82655	0.8
135.00911	1.5
137.02435	1.1
143.05048	20.3
144.05389	1.6
145.02959	19.0
149.59746	0.9
151.00420	4.4
152.01190	1.9
153.01996	1.2
156.05888	1.3
157.06624	3.1
158.03746	0.9
159.04402	0.9
159.08159	6.4
161.06108	5.0
163.00363	1.0
164.01135	1.3
169.01472	1.5
169.06564	1.1
171.04527	0.9
178.99893	3.5
185.06105	14.7
185.90424	0.9
186.06432	1.2
187.04004	2.2
187.07671	1.0
203.07198	6.6
211.07663	3.2
214.02786	5.2
215.03545	0.9
227.03543	1.2
227.07123	1.1
229.05077	16.2
237.09227	5.5
242.02222	5.8
243.03015	4.1
255.06686	6.6
259.02493	5.2
263.10873	0.8
270.01758	7.2
271.02499	37.3
272.02792	2.8
287.01974	22.9
288.02573	2.7
299.05515	1.8
305.11835	10.1
306.12329	1.4
307.09775	8.1
316.02246	93.1
317.02740	12.3
349.10822	18.3
350.11160	2.6
393.09869	15.1
394.10031	1.0
491.08087	1.3
533.09387	100.0
534.09784	14.6
879.17804	0.8
931.46295	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	927.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21369	1.0
87.00891	1.5
88.98818	100.0
89.02454	2.6
89.99151	1.2
99.95836	0.9
116.35804	0.8
239.61852	0.9
258.23947	0.7
397.13269	1.0
573.35510	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	931.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	1.1
69.10297	0.5
70.91997	0.5
70.92316	0.9
75.02406	0.5
89.03993	0.8
95.01407	1.9
99.02425	0.5
101.03991	0.5
103.01922	0.7
105.03473	0.8
115.01878	1.2
117.03468	3.6
119.01390	1.0
119.05062	1.1
121.02963	1.2
123.00899	3.8
125.02453	2.3
127.30503	0.4
129.03467	1.0
131.01385	3.6
133.02982	3.2
140.74063	0.4
143.01390	3.0
143.05034	0.5
145.02977	8.4
146.03294	0.6
147.00890	1.9
147.04546	1.9
149.02469	1.2
157.02965	2.2
159.00853	4.2
159.04535	0.6
160.01654	1.1
161.02454	6.7
163.00383	1.4
163.04027	3.7
166.99898	1.1
169.01489	2.8
171.00883	5.6
172.01666	1.0
173.02455	7.6
174.03053	0.5
175.00420	0.9
175.04039	1.5
176.01190	0.6
177.01920	4.1
179.03502	1.1
185.02477	2.7
187.00374	9.8
187.04015	0.6
188.00984	1.4
189.01950	9.2
190.02628	1.3
190.99898	1.2
191.03537	2.7
192.00615	0.5
199.00325	4.6
200.01164	2.0
201.01968	9.1
202.02525	0.8
202.99879	0.9
203.03578	2.4
205.01456	0.6
213.01892	1.0
214.99886	14.7
216.00604	3.7
217.01413	11.8
218.01929	1.1
219.03030	1.2
223.41295	0.4
226.99858	5.2
227.03453	0.5
228.00534	1.7
229.01421	10.1
230.02017	1.5
230.99400	1.2
231.02914	2.7
233.00937	1.6
240.00572	0.5
242.99350	23.9
244.00002	3.0
245.00923	23.0
246.01379	1.6
247.02486	4.8
248.02861	0.6
249.04044	1.9
254.99318	2.5
255.03207	0.7
257.00967	4.4
258.01764	1.4
258.98914	1.6
259.99631	1.6
261.00421	6.6
263.01923	0.9
269.04611	0.5
270.98865	70.0
271.99316	5.7
273.00427	48.2
274.00818	4.9
275.01987	11.4
276.02319	0.8
281.04590	0.6
283.02438	0.7
283.99680	1.8
285.00333	0.7
286.98337	5.9
287.99048	0.5
288.99985	2.9
289.02716	0.5
291.01495	1.9
298.98352	100.0
299.98938	16.1
300.99921	53.7
302.00287	4.2
302.97897	0.7
304.99533	0.6
313.00006	0.6
316.99432	8.8
317.99847	0.9
319.00833	0.6
340.99530	1.0
389.05389	1.1
399.03494	0.8
417.04675	0.7
427.03226	0.7
431.02554	0.7
433.04016	0.8
443.02692	1.6
461.03656	2.2
595.03198	2.3
601.04614	0.6
707.05994	0.5
727.02606	1.2
733.04010	0.7
743.01367	0.7
745.02600	1.0
763.04614	0.8
885.06134	0.6
913.03766	2.2
931.04846	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	931.049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	1.1
65.25437	0.5
67.01910	0.6
75.02406	0.6
79.50137	0.5
83.93697	0.6
86.75159	0.6
88.99149	0.5
95.01409	1.8
98.22619	1.2
103.01906	0.8
105.03432	1.0
115.01873	0.8
117.03468	3.9
119.01384	0.7
119.05024	0.9
123.00956	2.7
125.02461	1.9
131.01442	2.7
132.02170	0.9
133.02986	3.5
134.39745	0.6
143.01402	2.4
145.02965	7.1
147.00868	1.7
147.04552	1.3
149.02451	0.9
157.02951	2.0
159.00867	2.8
160.01628	1.1
161.02478	7.6
163.00365	1.3
163.04068	2.8
165.12370	0.5
166.99921	1.6
169.01447	2.0
171.00909	5.0
172.01688	0.9
173.02426	7.6
174.02910	0.9
175.00362	0.8
175.04076	1.5
176.01144	0.9
177.01942	2.9
185.02446	2.2
187.00369	11.2
188.00932	1.0
189.01939	8.3
190.02580	0.9
190.99861	1.6
191.03560	2.8
199.00397	4.0
200.01141	2.3
201.01952	8.2
202.99866	0.9
203.03564	2.1
205.01460	1.2
213.01871	1.3
213.99327	0.6
214.02811	0.7
214.99878	13.7
216.00546	3.2
217.01442	10.3
219.02892	0.6
226.99860	4.0
227.03458	0.8
228.00647	1.2
229.01427	9.3
229.25398	0.9
230.02155	1.0
230.99413	1.1
231.02986	1.5
233.00938	0.8
239.03456	0.9
242.99362	20.9
244.00070	3.3
245.00920	18.8
246.01448	1.1
247.02533	4.1
249.04024	1.6
254.99319	1.6
257.00964	4.6
258.98904	1.8
259.99695	1.5
261.00452	6.4
270.98859	59.5
271.99298	4.3
273.00433	44.7
274.00845	3.9
275.01984	12.3
276.02386	0.8
283.02444	0.9
283.99777	0.8
285.00336	0.7
286.98398	6.1
287.98849	0.8
288.99966	1.6
290.00656	0.8
291.01212	2.6
297.97690	0.7
298.98355	100.0
299.98938	14.2
300.99908	49.2
302.00269	4.4
316.99396	7.7
383.03830	0.7
431.02155	0.6
433.04013	0.9
443.02899	1.4
461.03433	2.1
572.50879	0.6
583.04041	0.7
595.03668	3.0
689.04401	0.9
717.03735	1.1
727.01740	0.8
745.03058	2.3
746.02936	0.9
758.28833	0.7
763.03857	0.9
885.04437	0.7
895.02295	0.9
903.05530	0.7
913.03577	2.6
931.05603	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	931.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	2.2
69.08505	3.6
69.08930	5.1
75.02370	1.0
95.58195	1.0
107.01410	2.2
111.53233	0.9
115.01913	1.5
117.03474	3.9
119.01321	1.0
119.05067	0.9
123.00888	2.7
125.02451	2.8
128.87697	1.0
129.03503	2.2
131.01390	3.9
133.02956	4.3
135.00948	1.0
143.01431	2.2
145.02980	7.5
147.00945	2.3
147.04524	1.7
151.00424	1.8
157.02950	1.6
159.00897	3.0
160.01530	1.6
160.41226	1.1
161.02457	5.6
163.00385	2.6
163.03989	5.6
166.99838	1.1
169.01517	1.7
171.00885	5.0
173.02469	7.0
175.04013	3.0
177.01976	7.3
185.02475	3.4
187.00378	14.7
187.03906	1.0
188.00974	1.8
189.01945	8.6
190.02750	1.6
190.99879	2.1
191.03571	2.9
199.00476	3.4
200.01228	2.3
201.01982	8.6
202.99806	1.9
203.03586	1.7
206.66174	1.0
213.99097	3.7
214.99875	20.5
215.26003	0.9
216.00478	3.3
217.01398	10.0
218.01869	1.2
219.02992	2.2
226.99930	3.7
229.01408	11.2
230.02028	1.5
230.99426	1.7
231.03070	2.4
231.99936	1.3
233.00940	1.5
238.24277	1.0
242.99359	11.4
243.02983	1.4
243.99968	1.6
245.00900	14.3
247.02455	4.4
248.03078	1.4
249.04092	2.1
254.99371	1.4
255.02983	2.6
257.00903	3.9
258.98816	4.3
259.99408	1.7
261.00372	6.1
263.01993	1.4
270.98874	28.6
271.02451	3.3
271.99103	2.8
273.00409	17.0
274.00864	1.8
275.01959	7.6
283.99637	3.6
285.97632	2.0
286.98257	6.9
291.01794	0.9
293.75513	1.2
298.98364	41.0
299.99026	10.7
300.02768	7.7
300.99942	100.0
302.00296	9.1
302.03732	1.5
316.99268	2.3
387.03751	1.0
397.12692	1.1
431.02521	2.7
447.09409	13.9
448.09497	1.3
449.03751	1.3
483.18735	4.2
507.76855	1.2
601.05139	8.4
751.05054	1.3
885.03784	3.0
903.04578	2.8
913.03137	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	931.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02817	36.2
93.03476	3.7
107.81094	4.2
115.07158	3.3
125.02461	8.4
129.71681	3.5
137.02556	5.4
151.00354	6.1
151.62207	4.3
160.21687	3.6
163.71530	4.1
169.01418	8.9
171.77226	3.9
186.93715	3.4
197.50404	4.0
207.76515	4.4
243.02966	5.7
251.12897	10.2
255.03026	21.7
271.02460	45.0
298.98532	5.0
300.02771	79.8
301.03491	20.3
470.38174	4.1
517.09900	100.0
518.10400	11.5
716.44965	4.4
736.79602	4.7
904.21686	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	932.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76713	49.1
70.77029	26.4
71.01392	70.2
89.02454	41.8
96.96025	95.1
98.22307	33.3
101.02455	40.9
113.02491	21.7
169.64488	23.4
171.10243	34.4
197.11787	34.8
209.11845	57.6
211.13438	69.0
225.11481	25.3
279.50671	22.8
291.20001	34.3
300.99915	45.5
302.13959	23.5
341.23358	100.0
397.13620	44.4
415.14642	33.8
447.02884	23.5
470.42188	21.8
516.29254	23.0
545.06232	22.3
602.61639	27.8
732.26007	27.7
932.45111	27.3
933.45917	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33482	0.5
68.73886	0.6
78.05444	0.5
89.03922	0.7
95.01408	3.0
101.03981	1.0
105.03419	0.7
117.03481	2.1
119.05038	1.3
123.00867	4.1
125.02459	2.0
129.03482	1.5
131.01442	0.8
131.05049	0.6
133.02954	2.4
135.04544	0.8
143.01421	1.0
145.02960	6.7
147.00761	0.7
147.04543	2.6
148.61638	0.6
157.02956	2.4
159.00902	0.8
159.04453	1.0
161.02409	3.5
163.00400	1.2
163.04047	2.9
165.05728	0.6
166.99850	2.4
169.00206	0.6
169.01292	3.1
171.00891	2.8
172.01643	1.0
173.02467	7.3
175.04102	3.1
177.01988	1.4
185.02449	4.5
186.03085	0.7
187.00369	2.6
187.03923	0.8
189.01959	6.3
190.02669	1.3
191.03493	4.3
199.00409	1.7
200.01094	1.4
201.01949	7.8
202.02402	0.8
203.03426	3.8
205.01379	0.8
213.01978	1.0
214.02628	0.6
214.99796	2.8
216.00720	1.8
217.01410	8.0
218.01915	0.8
219.03015	2.1
226.99895	2.7
228.00751	1.4
229.01414	12.7
229.27106	0.7
230.01910	0.9
231.02957	4.0
242.99342	6.8
244.00053	2.0
245.00931	16.4
246.01431	1.4
247.02454	7.4
249.04140	1.1
254.99368	1.4
257.00961	8.7
258.01645	1.7
261.00500	1.9
269.01007	0.6
270.98849	20.1
271.99356	2.1
273.00449	25.9
274.01080	3.4
275.01987	32.7
276.02457	1.7
283.99649	2.4
291.01505	1.4
298.98349	39.2
299.98993	10.7
300.99918	100.0
302.00198	7.1
315.01428	1.0
316.99402	2.6
337.03232	0.7
343.00775	1.3
383.04178	1.1
417.04733	0.7
443.02524	1.6
445.03964	2.4
461.03433	1.0
463.05121	3.1
479.45410	0.7
595.04059	3.9
597.04681	0.8
613.04785	1.1
630.30701	0.7
658.07684	0.8
735.03857	0.7
745.02936	1.8
747.04352	2.0
915.05267	3.7
916.05444	1.2
933.06128	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	933.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.4
69.62012	1.1
95.01405	1.3
103.01893	0.2
105.03454	0.4
107.01385	0.3
115.01900	0.3
115.44732	0.2
117.03500	1.6
117.50489	0.3
119.05043	0.6
123.00880	2.8
124.05982	0.2
125.02459	2.4
129.03488	0.6
131.01363	0.5
132.02158	0.3
133.02994	1.5
135.04570	0.5
143.01341	0.3
145.02966	5.1
147.00809	0.6
147.04561	1.3
149.02454	0.3
151.00446	0.4
157.02953	1.3
159.00838	0.5
159.04515	0.6
160.01680	0.5
161.02467	2.9
162.02728	0.2
163.00362	0.4
163.04018	1.6
166.99869	1.7
169.01453	3.4
171.00845	1.4
172.01648	0.7
173.02443	4.2
175.00406	0.3
175.04076	1.3
177.01944	0.9
184.01546	0.3
185.02457	3.3
187.00371	1.3
187.04134	0.6
188.01141	0.5
189.01941	4.0
190.02661	0.6
190.99953	0.3
191.03557	2.1
199.00427	1.2
200.01158	1.1
201.01947	5.2
203.03557	1.2
205.01459	0.7
213.01924	0.5
214.02603	0.2
214.99861	1.4
216.00609	1.2
217.01427	6.1
218.02045	0.7
219.02985	1.0
226.99879	1.6
227.03535	0.4
228.00600	0.6
229.01424	6.6
230.02020	0.8
230.99472	0.3
231.03008	1.9
232.00092	0.3
233.00894	0.6
240.00639	0.3
242.99368	2.9
243.03099	0.3
244.00064	0.9
245.00922	9.7
246.01337	0.9
247.02483	3.8
248.03050	0.3
249.04018	0.3
254.99380	0.8
257.00943	5.7
258.01508	0.9
259.02609	0.4
261.00491	1.4
263.01978	0.3
270.98859	7.8
271.99557	1.2
273.00439	13.7
274.00995	1.3
275.01984	9.7
276.02362	0.3
283.02866	0.3
283.99643	2.8
285.00452	0.3
286.98511	0.3
288.99936	0.4
291.01520	0.9
298.98361	12.1
299.99133	7.7
300.99921	100.0
301.96826	0.4
302.00266	6.6
309.04135	0.3
312.99808	0.4
315.01389	0.4
316.99313	1.5
343.01071	0.8
389.05148	0.3
405.04581	0.5
417.04462	0.3
433.04361	1.1
443.02628	1.6
445.04202	2.7
446.04556	0.3
461.03549	3.5
462.03949	0.3
463.05057	2.6
479.04755	0.4
569.05469	0.3
613.04321	0.5
735.05139	0.4
745.02979	0.3
747.05011	1.9
748.05048	0.4
763.04346	0.5
765.05432	0.6
915.05176	0.5
933.05383	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	933.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.5
71.01383	0.7
89.03962	0.8
95.01384	1.9
99.92575	2.9
105.03439	0.6
116.92872	24.4
117.03465	3.5
117.92876	1.4
119.04983	1.0
122.90173	0.7
123.00907	4.2
125.02462	2.6
129.03484	1.5
131.01430	1.1
132.02164	1.0
133.02951	2.0
135.04501	0.7
143.01410	0.8
145.02962	7.5
147.04523	2.5
151.00374	0.7
157.02988	3.2
159.00931	1.4
159.04521	1.0
161.02461	4.6
163.00378	1.4
163.04019	3.2
165.01932	0.6
166.99953	1.2
169.01463	1.5
171.00858	3.7
172.01674	1.7
173.02448	8.8
175.04013	3.1
177.01927	1.7
179.03517	1.0
185.02475	4.3
187.00426	2.4
188.01164	0.7
189.01944	5.0
190.02594	1.5
190.99835	0.9
191.03496	3.7
199.00369	4.3
200.01132	2.6
201.01964	10.4
202.02463	0.9
203.03491	4.3
205.01437	1.0
213.01999	1.5
214.99971	3.2
216.00471	1.7
217.01419	8.0
218.02040	1.3
219.02962	2.0
226.99867	7.1
228.00558	2.0
228.82373	0.8
229.01454	14.3
230.01958	1.8
231.02994	4.1
232.00012	0.7
242.99339	6.2
244.00050	1.5
245.00911	15.0
246.01447	1.7
247.02502	6.8
248.02866	0.7
249.03999	2.1
254.99388	3.1
257.00919	7.9
258.01477	1.1
261.00400	2.6
270.98880	15.4
271.99457	2.8
273.00427	19.9
274.01086	2.5
275.01993	23.3
276.02429	1.3
283.99625	2.4
286.98502	0.7
291.01566	1.5
291.65985	0.7
298.98349	30.9
299.99030	13.0
300.02481	1.1
300.99921	100.0
302.00232	8.5
303.00858	0.9
315.01312	0.9
316.99377	2.1
319.00873	0.8
343.01007	1.1
443.02554	2.0
445.04086	1.8
451.96973	0.6
461.03519	1.5
463.05325	1.7
476.17136	0.7
595.03802	1.9
613.04669	4.3
614.05194	0.8
631.05768	1.6
667.72711	0.8
729.03882	1.0
745.03369	1.3
746.03314	0.9
747.04712	1.5
897.04077	7.9
898.04327	2.2
915.05225	3.7
916.05859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	1.2
83.01408	1.4
85.02963	1.1
93.03492	0.7
95.01406	1.3
97.02954	0.8
109.02997	1.0
113.02465	1.8
115.89587	0.7
121.02925	1.3
123.00921	1.9
123.04528	3.1
125.02457	100.0
126.02795	2.8
133.02982	1.2
137.02444	3.2
149.02496	1.4
150.03189	0.8
151.00325	1.4
151.04015	7.6
159.04558	1.6
161.02455	22.2
162.03038	1.2
163.00423	1.3
164.01176	6.1
165.01924	5.6
167.03523	0.8
169.01439	27.1
170.01875	0.8
177.01935	1.0
183.04564	1.2
187.04060	0.9
197.04550	0.9
199.03979	0.8
201.05525	1.5
213.05531	1.2
225.05602	2.4
227.03514	2.6
228.93454	0.8
229.05029	2.6
241.05023	1.1
243.06485	1.0
246.69516	0.7
255.03134	1.0
257.04697	1.4
269.04596	5.7
270.04950	0.8
270.98895	0.9
273.00449	0.9
275.02176	1.1
285.04056	20.4
286.04544	1.0
287.05630	31.2
288.06021	2.0
298.98376	0.9
300.99973	4.2
301.07233	2.6
303.05136	7.0
313.03516	3.6
319.08194	9.6
439.06693	4.0
440.07315	0.9
461.07159	6.3
462.07794	0.9
471.09360	30.0
472.10022	3.6
615.59930	0.7
928.66010	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	933.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53778	0.3
67.01884	0.5
68.98942	0.5
68.99339	2.8
69.03453	1.2
78.54009	0.3
79.01894	0.5
81.03458	1.4
83.01402	1.4
93.03491	0.5
95.01368	0.7
95.05049	1.1
97.02961	3.0
107.01410	1.6
109.02965	7.7
111.00890	0.9
121.02953	1.2
123.00879	1.7
123.04539	4.6
124.01698	0.9
125.02460	67.9
126.02789	2.3
135.04526	0.7
136.98831	0.5
137.01469	0.5
137.02464	6.6
138.02843	0.4
139.00380	1.0
139.04025	0.9
140.01170	1.1
145.02972	2.3
146.03830	0.3
147.04544	0.3
149.02502	1.8
150.03194	0.5
151.04010	4.6
159.04482	1.1
160.05296	0.5
161.02419	0.6
161.06134	1.6
162.03236	0.6
164.01151	0.8
165.01944	1.3
166.99873	1.5
167.03444	0.5
168.00650	1.4
169.01439	100.0
170.01790	3.9
173.06041	0.4
175.04044	0.8
175.07501	0.4
179.03546	2.6
185.06122	0.8
187.04008	1.7
188.04718	1.2
193.01418	4.2
199.07625	0.4
201.05545	0.4
202.06412	0.8
203.07133	4.3
205.01500	0.6
205.05081	2.6
209.26144	0.3
217.08673	0.3
221.08183	0.4
227.07217	1.0
231.03030	0.5
245.08211	7.3
246.08398	0.6
253.05054	1.0
259.06064	1.1
269.98093	0.6
271.06110	5.6
272.06610	0.6
287.05560	0.4
289.07202	38.2
290.07559	3.3
297.97495	0.6
303.05118	2.3
312.99921	1.1
315.04977	0.4
328.02222	0.8
331.04556	2.4
397.09152	0.8
441.08298	40.9
442.08722	5.1
452.88992	0.4
491.08218	1.3
619.91632	0.4
703.42645	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	933.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	0.9
68.99839	1.2
69.14378	1.1
71.01387	10.3
71.27343	1.0
71.27748	1.1
81.03432	1.0
83.01380	2.9
95.01398	1.6
100.02648	1.0
100.35878	0.8
105.03471	1.1
107.01347	1.6
109.02969	0.9
115.00388	6.6
122.03767	1.0
123.00901	27.2
123.04533	15.5
125.02457	19.7
136.54851	1.0
137.02489	1.8
138.03246	33.4
139.03568	1.4
149.02438	2.5
150.03265	1.9
151.00400	9.7
151.04030	45.3
153.01956	39.7
153.05565	13.4
154.02344	1.1
161.02484	2.8
163.04070	0.9
164.92342	1.1
166.99890	11.2
169.01416	9.5
173.02475	1.3
177.01953	0.9
181.01506	0.9
182.02231	40.9
183.02594	1.6
189.01874	1.4
197.04567	100.0
198.04909	4.0
201.01877	1.4
217.01476	1.0
229.01440	2.4
245.00880	1.6
254.04855	0.9
257.01007	1.7
257.04663	1.5
261.00406	0.9
270.98801	2.7
273.00443	3.0
274.01025	1.2
275.01944	2.3
275.05576	0.9
287.05673	2.2
298.98291	4.4
299.98978	1.7
300.99969	22.4
302.00293	2.0
303.05154	37.8
304.05307	2.3
359.09872	68.8
360.10199	5.5
453.09579	1.1
457.07816	27.6
458.08130	3.2
475.10663	2.9
686.71844	1.1
713.72980	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	933.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.5
71.01388	9.3
71.34174	0.6
72.99319	1.5
73.02953	8.0
85.02940	3.9
86.00100	0.8
87.00888	5.3
87.04517	2.4
89.02450	4.5
101.02454	11.1
103.04014	4.9
111.04560	1.1
113.02467	1.4
115.04011	3.1
119.03521	1.8
121.02684	1.0
124.11148	0.6
125.02441	2.1
129.05612	3.3
131.03514	5.1
141.01706	3.3
143.03510	6.9
144.03845	0.5
145.05055	1.8
147.06635	1.7
153.01625	0.6
163.06140	7.2
169.01401	0.7
174.74686	0.6
177.07578	0.6
205.07167	9.2
227.05540	1.3
250.12120	0.5
275.02084	0.7
287.06360	1.9
300.99966	3.4
331.10086	1.6
339.45618	0.6
376.17157	0.6
390.01611	0.6
451.18411	0.7
455.17746	100.0
455.66376	0.6
456.18042	10.2
477.07407	0.6
477.15808	4.2
754.82452	0.7
933.34302	3.8
934.34668	0.8
948.99707	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	933.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.3
71.01389	18.9
71.05052	0.9
72.99305	1.2
73.02946	2.1
80.02684	2.1
81.03483	1.9
81.56439	1.2
83.01408	1.6
83.05047	5.4
85.02971	3.8
86.05839	0.9
86.07217	1.0
87.00891	3.4
89.02448	12.3
95.01418	1.6
95.05061	2.3
96.96021	2.7
97.02977	2.3
97.06638	1.4
101.02450	11.2
113.02460	6.1
119.03530	2.9
123.00834	1.0
125.02463	5.5
125.09722	2.0
127.07696	1.8
135.08197	2.4
137.02472	1.3
137.03455	1.0
143.03568	1.8
153.09247	9.0
160.66992	1.0
161.04587	2.2
163.11304	6.2
165.12914	3.7
169.01498	2.3
171.10281	21.0
172.10570	1.5
175.02467	1.0
178.10039	1.2
179.05623	3.4
185.11876	2.6
191.10880	2.9
197.11795	3.1
207.10313	1.3
209.11853	100.0
210.12251	5.4
225.11227	1.3
227.12941	13.8
235.08276	2.8
263.83078	0.9
289.18188	4.4
298.98163	1.3
299.99063	1.1
300.99957	5.6
307.19183	41.9
308.19553	3.4
309.20517	1.2
325.20215	25.0
326.20438	2.4
379.12448	2.1
397.13531	27.4
415.14774	9.6
425.20172	1.0
607.26044	1.1
687.32629	3.2
705.33496	6.1
706.33582	1.0
723.33978	2.2
846.39819	1.1
897.44489	2.7
915.45776	4.5
916.47504	1.4
933.46375	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	934.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97778	9.3
68.98100	100.0
84.85252	9.4
95.01426	12.3
103.25343	7.6
108.02198	22.0
109.02964	23.6
125.02544	12.6
169.01476	26.2
189.60423	9.2
209.11844	10.9
226.45566	8.2
273.00314	10.7
300.99930	22.2
580.22809	10.7
634.34363	10.1
680.60480	10.1
682.24036	10.2
739.26904	19.8
765.24243	12.4
771.29242	34.8
772.29449	12.0
903.32605	10.2
934.34454	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	934.357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82890	3.8
75.64892	3.9
76.35496	5.5
91.48158	4.5
93.03459	6.9
107.03777	5.8
108.02200	10.3
108.04561	6.3
117.03606	4.1
119.05058	14.0
121.02969	15.6
122.03804	5.0
123.04490	6.1
134.02501	8.5
134.06166	7.0
136.01772	4.5
145.02994	9.8
148.01707	14.6
148.05354	6.2
150.03232	11.7
151.03995	8.5
153.05577	5.6
159.04398	4.8
163.04036	7.9
165.05530	6.1
177.06697	11.8
193.25697	3.9
229.89511	6.8
240.04211	7.5
241.59462	4.6
311.14059	8.1
312.12405	8.6
400.09558	6.8
415.12036	7.2
417.18381	5.7
430.14130	27.0
431.19839	8.9
445.16580	33.8
446.16800	4.6
457.18051	4.9
551.25806	11.8
578.18451	8.6
580.23322	7.4
602.96729	5.1
608.22980	19.4
615.49188	6.8
623.24127	5.4
711.26770	6.8
739.26550	8.0
743.29645	40.2
744.29944	8.7
771.29437	68.8
772.29474	18.9
797.27197	9.6
861.49957	4.6
902.32568	12.9
934.17053	6.5
934.35492	100.0
935.35602	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53245	2.1
69.53654	1.8
71.01373	0.8
85.92534	0.6
95.01385	3.1
97.02982	0.9
98.22450	0.9
107.01392	1.7
111.00934	0.7
117.03481	2.1
119.05035	1.2
121.02938	0.6
123.00903	7.8
125.02469	18.4
129.03456	0.7
133.02962	3.4
135.04530	0.8
139.00403	0.8
145.02963	7.4
147.00948	0.7
147.04515	2.6
149.02451	1.8
157.02966	2.1
159.04597	1.2
160.01630	0.9
161.02463	4.9
163.00377	0.6
163.04021	3.9
166.99886	2.7
169.01447	20.9
171.00970	1.0
173.02457	6.9
174.02946	0.8
175.04015	2.1
177.01990	2.0
185.02457	3.7
187.00365	1.8
189.01950	9.3
190.02620	1.4
191.03578	3.6
192.03952	0.7
193.01463	1.0
199.00497	0.8
200.01007	0.9
201.01933	6.5
202.02356	1.0
203.03494	2.7
205.01488	0.8
207.02972	0.8
213.01921	1.1
214.02672	0.7
214.99904	2.2
216.00662	3.0
217.01456	10.3
218.01884	1.3
219.02946	1.8
221.04691	0.7
226.99901	1.9
228.00673	1.6
229.01453	11.0
230.01869	2.0
231.03015	2.3
242.99356	3.0
244.00090	3.6
245.00931	21.5
246.01480	2.6
247.02492	10.3
248.02913	1.0
249.03979	2.2
257.00891	6.0
258.01498	0.7
261.00491	1.7
263.01840	0.7
270.98856	10.6
271.99374	3.6
273.00446	42.9
274.00867	5.7
275.02002	15.0
276.02301	2.4
276.81006	0.7
277.03009	0.6
283.99701	2.7
288.99988	1.4
290.00519	1.5
291.01514	6.7
295.04620	1.3
298.98386	12.3
299.99091	8.0
300.99930	100.0
302.00281	19.0
303.00470	6.3
313.05569	1.2
316.99380	2.7
317.99966	0.6
346.30380	0.8
417.04639	1.8
433.03848	0.8
442.50800	0.8
445.04050	1.4
463.05276	3.5
465.06720	3.7
527.19189	0.9
587.06854	2.5
617.07977	9.1
618.08069	0.8
633.07318	2.2
739.08881	3.3
935.07074	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	935.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20295	0.9
69.20716	0.8
89.03960	0.3
95.01396	0.5
107.01418	0.3
109.02923	0.3
117.03469	0.6
119.05051	0.4
123.00941	1.1
125.02460	4.3
129.03445	0.5
133.02942	0.8
137.02446	0.3
145.02963	2.5
147.04506	1.1
149.02505	0.4
151.00337	0.2
157.02930	0.9
159.04506	0.7
161.02420	0.9
163.00365	0.3
163.04092	1.0
166.99788	0.2
169.01431	5.8
170.01825	0.3
173.02461	2.5
175.04063	1.6
177.01927	1.0
185.02452	3.3
189.01924	1.5
190.02676	0.7
191.03474	2.2
193.01366	0.3
200.01144	0.3
201.01945	3.6
202.02556	0.3
203.03496	1.6
205.01494	0.2
211.03972	0.3
213.02031	0.6
214.99928	0.3
216.00656	0.6
217.01474	2.4
218.02133	0.5
219.03053	1.3
221.04501	0.4
226.99849	0.7
228.00734	0.5
229.01436	7.0
230.01836	0.6
230.99335	0.2
231.02937	1.6
238.02585	0.2
244.00206	0.5
245.00923	4.0
246.01462	0.4
247.02493	4.8
248.03004	0.7
249.04021	1.8
254.99281	0.3
257.00931	6.4
258.01645	1.5
270.98911	0.6
271.99402	0.4
273.00436	4.8
274.01099	1.6
274.44131	0.3
275.01996	15.7
276.02332	1.1
283.99683	2.6
285.00076	0.3
291.01508	0.9
298.98428	0.7
299.99124	5.6
300.99918	100.0
302.00250	9.1
302.02939	0.1
303.00427	0.8
315.01422	0.5
319.00970	0.5
343.00861	1.2
393.17401	0.2
419.06143	0.5
435.05536	0.6
445.03687	0.3
463.05237	5.6
464.05557	0.8
534.54791	0.2
605.08307	0.3
633.07178	0.6
737.05884	0.5
765.05835	0.9
863.26440	0.3
907.07977	0.7
908.08148	0.3
935.08105	1.1
936.08423	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	935.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00308	0.8
69.03447	0.6
77.73845	0.6
92.64785	0.5
95.01385	4.1
97.02963	1.0
97.28681	0.6
98.22510	2.1
107.01432	2.7
109.02988	0.7
114.04726	0.6
117.03516	1.7
119.05011	1.1
123.00904	7.8
124.29853	0.5
125.02462	22.1
129.03491	0.9
131.04964	0.7
133.02956	2.1
135.04552	1.0
139.00368	1.5
140.01163	0.9
141.01886	0.9
143.01402	0.7
145.02965	6.0
147.04529	2.1
149.02512	1.4
151.00401	1.4
151.03897	0.7
157.02965	1.6
159.00867	1.0
159.04491	0.9
160.01666	1.1
161.02434	6.0
163.00343	0.7
163.04031	2.7
163.37137	0.7
166.99846	3.9
168.00597	1.3
169.01440	21.1
170.01782	1.1
171.00900	1.3
173.02473	5.0
175.03993	2.2
177.02029	1.3
179.03593	0.9
185.02435	2.9
187.00371	1.9
188.01117	0.8
189.01947	7.0
190.02530	1.1
191.03546	3.6
193.01381	1.0
199.00375	1.1
200.01286	1.1
201.01949	6.2
203.03502	3.4
205.01434	0.7
213.01958	1.0
214.02216	0.6
214.99860	2.0
216.00610	2.3
217.01424	8.6
218.01784	1.0
219.03040	2.1
226.99852	1.0
228.00626	1.9
229.01410	8.7
230.02068	0.8
231.03091	3.3
233.00829	0.7
235.02338	0.8
242.99348	6.2
244.00034	4.2
245.00914	14.8
246.01436	2.0
247.02501	6.7
248.02769	0.8
249.04106	1.0
252.91145	0.7
257.00848	4.2
258.01535	0.8
261.00317	1.3
263.01840	0.7
270.98853	13.6
271.99509	3.5
273.00430	33.4
274.00879	2.6
275.02051	8.8
276.02176	1.1
283.99677	3.6
285.00180	0.7
288.99841	1.4
290.00494	0.8
291.01501	6.1
295.04721	1.8
298.98376	21.6
299.99036	8.2
300.99918	100.0
302.00269	9.3
313.05731	3.0
316.99371	2.0
391.12860	0.6
417.04785	2.0
428.72525	0.6
445.04105	0.7
463.05493	1.4
465.06741	14.3
466.07156	1.4
493.09702	0.7
587.06683	1.0
597.05176	1.2
617.07861	9.2
618.08466	1.2
633.07440	1.7
709.06720	0.7
739.07770	3.0
747.04688	1.2
749.06158	6.6
750.06018	1.3
765.04962	1.7
767.07361	6.0
768.06824	1.5
891.09229	1.2
917.06024	1.8
935.08160	3.3
936.08264	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	937.097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08162	16.4
71.96790	1.5
85.02972	1.7
88.98844	2.2
89.96781	1.8
95.01394	4.2
97.02951	2.2
98.21821	3.5
101.02386	1.5
101.87733	1.6
106.16811	1.6
106.73988	1.7
107.01392	3.8
107.74187	1.9
109.02953	2.6
119.05052	2.1
123.00885	9.2
125.02467	30.3
133.02975	3.2
145.02974	4.9
147.04506	4.8
153.01950	1.7
159.04459	2.3
161.02464	5.1
163.04019	4.4
169.01450	33.4
173.02440	5.2
175.03992	5.4
177.01903	2.2
185.02377	2.5
189.01898	5.9
190.02623	3.0
191.03510	7.9
193.01459	2.3
199.00517	2.4
201.01956	10.1
203.03490	14.0
205.01588	1.7
213.02000	3.2
217.01442	8.3
218.01967	2.8
219.02974	5.4
221.04523	2.5
229.01462	18.5
230.01814	2.2
231.02985	14.9
245.00870	13.7
246.01483	2.2
247.02477	38.7
248.02911	4.3
249.04053	33.7
250.04488	2.3
257.00934	13.7
258.01624	5.1
258.11331	1.6
270.98846	6.6
273.00403	24.5
274.01041	5.9
275.01993	93.1
276.02319	7.6
291.01474	14.1
292.01877	2.2
295.04663	3.0
298.98331	10.8
299.99002	6.5
300.99905	100.0
302.00290	16.5
303.00513	7.1
313.05728	4.0
401.05194	2.2
417.04776	3.1
419.06161	19.1
435.21210	1.8
463.05283	3.3
465.06656	7.4
571.07587	4.2
589.08105	2.8
617.07904	9.5
635.08331	4.9
733.06696	4.1
741.09204	3.4
751.07379	1.8
767.08246	2.3
785.07715	5.2
893.10223	2.5
919.07074	1.9
937.09485	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	937.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.8
77.75459	0.5
85.02944	1.4
89.06502	0.6
89.13157	0.6
95.01402	2.3
98.22528	1.1
107.01387	2.2
107.84681	0.6
109.02991	0.7
113.02452	1.0
116.95078	0.6
119.05030	0.7
123.00900	6.5
124.01662	0.9
125.02464	21.4
131.05031	0.7
133.02951	0.7
140.01114	1.0
145.02980	1.6
147.04527	2.4
149.02473	0.6
151.00301	1.0
158.03764	0.7
159.04523	2.7
161.02464	1.5
163.04039	2.3
164.01187	0.7
164.04683	0.7
165.01964	0.7
166.99864	1.1
168.00656	1.5
169.01440	26.7
170.01706	0.8
173.02409	2.4
174.03267	0.7
175.04010	5.6
177.01958	2.5
185.02428	3.3
187.04077	1.3
189.01978	2.1
190.02615	1.1
191.03500	4.3
193.01485	0.7
201.01976	4.4
202.02716	0.9
203.03522	11.2
203.05296	1.1
204.03857	1.2
205.01357	0.8
213.01970	2.5
217.01385	1.6
219.03011	2.6
221.04559	1.2
229.01425	9.8
230.02019	1.9
231.02997	12.3
244.00058	0.6
245.00917	3.7
247.02486	4.6
248.03175	3.0
249.04074	33.8
250.04440	1.6
257.00922	11.1
258.01669	6.2
273.00433	3.5
274.01047	1.7
275.01996	100.0
276.02261	6.3
279.05078	0.9
283.99716	1.5
291.01294	1.0
293.03009	1.1
295.04535	1.7
299.99219	1.0
300.99927	29.4
302.00317	3.5
303.00433	1.7
313.05688	2.7
319.00916	1.3
401.05365	0.9
419.06250	23.6
420.06757	2.4
437.07172	0.8
447.05316	0.9
463.05377	2.9
464.05896	0.8
465.06912	7.3
571.06927	2.7
589.08136	2.9
617.07928	8.8
618.08228	1.8
635.09125	3.2
741.09381	7.7
742.09955	1.3
785.08112	1.2
893.10675	3.0
894.11230	1.3
937.08472	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	937.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	0.3
67.01907	0.3
69.03458	0.7
69.09047	2.2
69.09453	0.8
71.01376	0.8
75.71181	0.3
79.01916	0.4
85.02981	0.6
95.01390	2.9
97.02953	0.6
98.22623	0.4
107.01403	3.6
107.05042	0.3
109.02987	0.3
111.00895	0.6
112.83601	0.3
113.02444	0.8
117.03441	0.6
119.05035	0.7
121.02989	0.4
123.00907	6.5
124.01667	1.2
125.02463	23.2
126.02789	0.8
129.03412	0.6
129.37920	0.3
131.05075	1.0
133.02927	0.7
135.04556	0.8
136.98814	0.4
137.02502	0.8
139.00372	1.2
140.01151	0.7
141.01924	0.3
145.02960	1.2
147.04547	2.6
147.25359	0.3
149.02463	0.7
151.00412	0.8
151.03928	0.6
157.02980	0.9
158.03697	0.6
159.04527	2.8
161.02487	1.4
163.04005	1.1
164.04732	0.4
164.16782	0.3
165.01886	0.5
166.99791	0.7
168.00661	0.8
169.01443	28.0
170.01736	1.2
173.02437	2.2
174.03206	0.5
175.04018	5.1
176.04314	0.3
177.01953	1.8
177.05557	0.5
179.03523	0.5
185.02469	2.6
186.03091	0.4
187.04047	1.5
189.01907	1.4
190.02753	1.4
191.03505	2.8
193.01439	0.7
201.01970	3.2
202.02713	0.5
203.03522	12.2
204.00571	0.3
204.03828	0.7
205.01450	1.1
205.05009	0.6
207.03069	0.7
211.02408	0.4
213.01918	2.3
214.02658	0.8
217.01396	1.4
218.02148	0.6
219.03041	2.4
221.00897	0.4
221.04538	1.0
228.00607	0.5
228.99161	0.5
229.01447	10.1
230.01967	1.1
231.02989	12.6
232.03348	1.0
233.04568	0.5
235.02412	0.6
242.54332	0.3
245.00977	2.5
246.01512	0.6
247.02477	3.6
248.03268	3.0
249.04063	39.9
250.04442	2.7
257.00943	11.5
258.01617	5.5
259.02115	0.5
273.00455	4.7
274.01196	2.2
275.01999	100.0
276.02347	6.8
277.03497	0.6
283.99634	1.0
291.01505	1.0
293.03043	1.4
295.04742	2.9
299.99188	1.2
300.99936	24.1
302.00165	1.8
313.05826	2.6
319.01068	1.0
321.02499	0.5
357.06320	0.5
401.05139	1.1
419.06259	21.7
420.06641	2.6
437.07294	1.1
447.05783	0.8
463.05191	3.4
465.06769	6.0
466.07010	0.7
483.07858	0.6
526.00726	0.4
555.07751	0.4
571.07074	2.2
589.08264	2.5
617.07861	9.2
618.07959	1.6
635.09009	3.4
636.09723	0.6
741.09570	6.6
742.09546	1.2
778.57184	0.4
785.08240	1.4
893.10809	3.3
894.10278	0.5
937.09436	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	937.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00351	0.4
69.03493	0.5
71.07644	0.4
71.08014	0.7
85.02958	0.8
93.03481	0.4
94.37157	0.4
95.01394	1.6
97.03008	0.6
101.02491	0.5
105.32114	0.4
107.01402	2.9
109.02969	0.7
111.00896	0.6
113.02460	1.1
117.03488	0.5
119.05002	0.4
121.02978	0.6
123.00888	3.4
124.01721	0.5
125.02470	14.7
129.03503	0.8
132.02214	0.4
133.02959	0.8
137.02454	1.4
139.00369	0.6
140.01085	0.7
145.02960	2.3
147.04497	0.9
149.02400	0.5
151.00410	1.1
153.01961	0.4
157.02982	0.9
159.04547	1.1
161.02464	1.2
163.04019	1.3
165.40817	0.4
167.03595	0.5
168.00647	1.0
169.01450	13.4
170.01755	0.7
173.02463	2.1
175.04034	1.4
177.01967	1.6
185.02419	2.7
187.03973	0.5
189.01903	1.5
190.02629	0.7
191.03508	1.3
193.01396	0.9
201.01970	3.0
203.03470	2.6
213.01976	0.9
216.00685	0.6
217.01427	1.1
221.00876	0.5
226.99840	0.6
227.03539	0.5
229.01451	5.8
230.02098	0.5
231.03040	2.9
239.03516	0.4
244.00104	0.4
245.00975	3.3
246.01627	0.5
247.02582	1.0
248.03302	1.0
249.04062	5.5
257.00952	4.3
258.01614	1.3
269.04620	0.5
270.98767	0.6
271.99530	0.4
273.00403	2.6
274.01123	1.1
275.01984	14.6
276.02142	0.9
283.99753	3.1
291.01392	0.4
295.04791	0.5
298.98453	0.4
299.99106	3.8
300.99933	100.0
302.00278	7.5
313.05820	3.1
316.02249	0.8
319.01147	0.6
419.06271	1.4
425.04468	0.4
445.03952	0.6
447.06125	0.7
449.07080	0.9
465.06717	11.1
466.07098	1.2
477.06879	0.6
483.07642	0.5
597.05518	0.7
617.07831	0.6
627.72888	0.4
767.07501	6.7
768.07550	1.5
785.07971	0.5
825.29431	0.5
825.45294	0.4
886.08258	0.5
937.09747	5.3
938.09113	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	937.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	1.1
71.01353	1.7
79.01923	1.2
84.31381	1.0
85.02940	1.4
88.98807	4.5
95.01405	5.1
97.02936	2.0
98.21769	3.5
98.22491	5.1
107.01418	3.6
109.02966	2.3
111.00938	0.9
113.02454	1.1
116.92884	1.5
117.03492	2.4
119.05044	1.6
121.02906	1.2
123.00897	11.6
124.01694	1.6
125.02461	28.0
131.05038	1.7
133.02968	3.0
135.04517	2.0
139.00410	2.3
145.02972	5.7
146.03561	1.0
147.04495	4.4
151.00395	2.0
153.01953	1.8
157.02956	2.9
159.04500	2.9
161.02484	4.9
163.00345	1.0
163.03976	3.1
165.01881	1.9
166.99820	1.5
168.00706	1.1
169.01443	24.3
171.00858	2.1
173.02415	5.8
175.03969	6.2
177.01958	3.2
179.03473	1.4
185.02426	5.6
189.01979	5.5
190.02643	3.5
191.03525	8.2
193.01500	2.0
201.01965	8.6
203.03528	13.0
205.05133	1.7
207.02975	1.4
213.01880	2.3
214.99896	1.6
216.00777	1.3
217.01465	7.9
218.02000	2.4
219.02971	5.7
221.04579	1.6
226.99933	1.6
229.01431	14.6
230.02075	2.4
231.03035	14.4
232.03438	1.2
242.99373	2.2
244.00125	1.4
245.00925	11.2
246.01456	2.2
247.02496	31.4
248.03139	4.9
249.04048	30.0
250.04295	1.3
257.00952	13.4
258.01553	5.7
261.00409	1.7
263.02054	1.2
270.98889	10.6
273.00439	19.6
274.01144	4.8
275.01990	91.7
276.02304	8.3
283.99637	3.2
291.01483	13.5
292.01761	1.1
293.02942	1.7
295.04584	1.8
298.98312	13.6
299.99017	6.2
300.99921	100.0
302.00287	12.4
303.00391	5.4
313.05688	2.4
417.04828	2.9
419.06250	16.9
420.06650	2.0
447.04703	1.2
449.07086	3.0
463.05185	3.0
465.06921	7.0
571.07208	2.1
589.08215	2.1
617.07703	5.7
618.07837	1.3
635.08234	2.7
733.06793	3.2
734.07306	2.1
741.09302	4.7
742.08704	1.6
751.07025	1.3
767.06366	1.7
785.08240	6.9
786.08643	1.3
888.75018	1.2
893.10803	2.4
901.07239	2.3
919.08087	4.4
937.08929	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	939.1113
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.72826	0.7
67.01891	2.2
69.03460	2.5
69.10146	5.4
69.10553	1.4
71.01382	1.5
71.46811	0.7
79.01898	2.9
81.03455	1.1
85.02962	1.4
95.01405	13.9
97.02965	2.8
98.85459	0.8
107.01404	9.2
109.02993	1.4
111.00906	3.3
113.02513	0.7
117.03451	1.0
123.00900	32.9
123.04494	0.8
124.01672	3.5
125.02460	99.2
126.02799	3.5
127.00360	1.6
133.02991	1.8
135.04559	2.0
136.98825	1.9
137.02484	2.0
139.00398	8.1
140.01207	4.4
141.01942	1.8
143.05064	1.1
145.02972	2.4
149.02466	1.1
151.00366	2.6
151.04060	2.4
159.04552	2.2
161.02443	4.3
163.00394	0.8
163.04005	1.6
164.01222	0.9
166.99867	14.0
167.03534	0.9
168.00653	9.6
169.01442	100.0
170.01790	3.6
171.04671	1.0
173.02588	0.8
175.04054	2.2
177.01981	4.1
177.05559	0.9
179.03488	2.3
187.04021	2.3
189.05600	2.9
190.02629	1.2
191.03499	2.9
192.04245	0.8
193.01460	3.5
199.03906	1.1
203.03503	2.6
205.01472	3.4
205.05124	2.2
205.09575	1.0
207.03008	2.2
211.02470	5.0
215.03455	2.4
217.05092	2.7
221.00966	1.1
223.10381	0.8
233.04573	2.5
235.06042	0.8
243.03186	0.8
259.02515	2.1
261.04102	2.5
267.48950	0.8
277.03525	3.6
279.05124	2.5
285.04102	2.9
295.04691	3.3
297.06549	0.9
298.98340	1.4
300.99994	1.1
313.05566	4.5
314.00742	2.6
429.04517	1.5
431.06036	5.1
447.05362	8.4
448.05530	1.1
449.07220	1.3
465.07083	4.9
599.06964	3.9
600.07214	1.0
601.08276	3.7
617.07794	11.5
618.08118	1.8
635.09326	2.3
769.08997	49.0
770.09094	9.9
787.09778	5.5
788.09094	1.0
939.11169	13.6
940.10828	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	939.11
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	1.2
67.01899	2.0
69.03449	1.6
71.01374	4.0
71.27332	1.4
72.99297	1.1
75.00871	1.1
79.01899	1.5
81.03446	1.2
83.01427	1.2
85.02952	2.5
85.06256	1.0
87.00883	1.1
93.03475	1.5
95.01410	8.8
97.02962	2.2
101.02438	1.6
107.01405	7.8
107.02035	1.1
109.02946	1.8
111.00897	2.5
113.02443	2.3
119.05002	1.7
121.02947	1.1
123.00903	20.9
124.01661	2.7
125.02457	85.1
126.02763	3.4
127.00343	1.1
131.05084	0.9
133.02873	1.6
136.98810	2.2
137.02443	1.8
139.00409	4.8
140.01154	3.9
141.01906	1.5
145.02979	2.2
151.00375	5.4
151.03990	1.9
153.01953	1.5
159.04524	1.9
161.02444	4.3
163.04089	1.6
165.01949	2.1
166.99869	7.4
167.03493	2.3
168.00624	8.3
169.01436	100.0
169.20598	1.0
170.01782	4.1
173.02347	1.5
175.02498	1.0
175.03978	2.4
179.03490	6.1
187.03981	1.8
189.01878	1.7
190.02750	1.3
191.03453	3.7
193.01414	5.0
203.03548	2.5
204.03868	1.3
205.01360	2.2
205.05006	1.6
207.02948	3.1
211.02454	5.2
216.35771	1.0
217.01320	1.8
219.03012	2.2
221.00804	1.3
221.04614	1.8
226.17493	1.5
227.03526	1.0
229.01466	1.2
229.05089	1.9
231.03030	1.6
233.00250	1.1
235.02525	1.9
241.03566	1.4
245.00925	2.2
247.02524	5.6
248.03093	1.8
249.04114	2.3
251.05557	1.4
257.04868	1.2
259.99646	2.0
261.04150	1.2
270.98935	1.6
273.00403	2.2
275.02014	6.4
276.02228	1.8
277.03442	2.7
279.05087	3.1
285.04089	13.8
286.04504	1.9
291.01334	1.7
295.04550	5.4
297.06039	1.2
300.99860	6.0
301.03571	4.8
302.00293	2.0
303.01135	3.0
313.05704	14.9
318.83319	1.1
384.30179	1.0
403.06863	1.9
447.05722	2.5
449.07394	1.8
461.07321	4.0
465.06708	13.8
466.06784	1.9
477.06607	3.2
477.19772	1.5
481.09567	1.2
599.06830	1.7
617.07831	35.1
618.08569	5.7
635.08972	5.7
734.69397	1.3
769.09045	12.1
770.09204	1.8
787.10034	53.4
788.10547	12.1
939.10590	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	939.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.5
70.39948	1.6
71.01365	1.5
82.30018	0.5
82.95260	0.6
85.02947	1.3
95.01429	0.7
97.02961	1.5
101.02474	0.8
104.89249	0.6
107.01394	5.8
113.02466	1.6
118.91091	0.5
123.00898	2.0
124.01610	0.7
125.02460	70.1
126.02810	2.7
137.02432	0.8
139.00429	1.1
140.01151	0.7
151.00412	1.8
168.00729	2.1
168.54066	0.6
169.01442	89.3
170.01747	3.4
193.01468	2.2
211.02502	5.5
217.57001	0.6
271.04578	5.7
275.01913	1.0
300.99942	1.3
302.00259	0.9
313.05682	3.3
331.06723	8.2
332.07321	0.7
455.17941	0.9
483.07855	100.0
484.08224	10.6
522.98016	0.9
533.09460	0.7
775.14618	0.7
776.24548	0.6
897.83398	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	939.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.4
69.61000	1.6
69.61417	0.7
76.85268	0.6
82.93808	0.4
85.49202	0.4
88.98801	0.6
98.21777	0.5
107.01371	0.5
108.02178	1.8
109.03021	0.5
135.00896	0.7
137.48148	0.5
145.02979	0.4
148.01723	1.3
151.00362	0.9
159.04568	0.9
164.01163	0.6
174.03201	0.4
180.50432	0.4
199.03952	0.5
211.04028	0.4
214.04909	0.5
215.03508	0.6
226.02759	0.9
227.03471	1.1
243.03003	8.2
244.03494	0.7
254.02234	1.4
255.03018	17.2
256.03409	1.3
271.02505	42.3
272.02975	4.2
282.09283	0.7
283.09625	0.7
299.01959	0.8
300.02792	98.8
301.03104	7.0
315.05151	100.0
316.05487	8.7
330.40851	0.4
337.67734	0.4
460.17801	1.2
534.35071	0.4
623.23944	7.8
624.24567	1.3
740.52747	0.4
887.56525	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	939.6432
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91967	0.7
83.05046	0.9
104.00788	0.7
119.06865	0.7
125.02464	0.9
169.01471	1.7
179.91873	0.7
275.02219	0.9
301.00040	1.3
301.37106	0.7
627.13239	0.9
657.49017	0.7
903.66779	4.0
904.66431	0.9
939.64246	100.0
940.64551	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26289	3.7
90.67889	2.2
95.01382	4.4
101.59493	2.1
105.03465	5.1
107.01385	3.3
111.00863	2.8
117.03453	4.5
119.05024	2.7
123.00890	8.5
124.01632	2.3
125.02463	33.3
131.05092	2.1
133.02975	15.7
135.04608	2.9
145.02982	16.7
147.04509	7.9
149.02443	3.1
153.95888	2.0
159.04486	6.6
161.02461	56.4
163.00439	2.6
163.04002	13.6
165.01907	2.6
169.01471	23.2
170.01843	2.0
171.64230	2.2
173.02466	13.9
175.04015	13.9
177.01910	7.9
185.02434	5.7
189.01947	51.7
190.02605	4.4
191.03534	31.8
193.01450	3.0
201.01903	7.7
203.03496	17.5
205.01466	3.9
207.03003	7.1
217.01433	56.0
218.01843	2.5
219.03026	16.7
221.04578	27.4
229.01413	16.7
230.01962	2.7
231.02965	8.9
233.00822	6.4
234.01640	2.5
235.02478	10.0
245.00928	34.2
246.01459	2.8
247.02489	60.3
248.02858	4.2
249.04050	7.4
257.00900	13.5
258.01535	4.1
261.00424	56.8
262.00830	5.0
263.01959	25.8
270.98862	3.7
273.00455	7.8
275.01990	53.2
283.19537	2.1
288.99933	100.0
290.00323	8.1
291.01425	18.8
298.98157	2.7
299.99030	3.1
300.99948	70.7
302.00269	5.9
307.00931	2.9
313.05722	3.5
319.01294	2.1
331.06595	4.8
391.06757	4.2
417.04752	6.9
433.04208	26.0
465.06671	4.7
470.11871	2.6
561.05707	3.7
621.07446	31.9
622.08057	5.0
633.07361	10.6
713.10278	4.5
757.08655	4.0
909.10352	4.8
923.07837	19.6
924.07745	7.5
971.23328	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	941.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	2.2
81.03476	1.5
83.01382	3.2
88.41669	1.2
95.01353	1.1
97.02954	1.2
105.03478	1.5
107.01398	3.5
109.02995	2.6
123.00887	9.1
123.04533	18.4
125.02458	80.1
126.02799	3.2
137.02423	1.8
139.00374	2.4
140.01218	1.3
149.02390	2.6
150.03244	1.6
151.00420	11.7
151.04019	50.0
152.04367	2.6
153.01942	49.8
154.02295	2.9
161.02492	2.2
168.00659	2.0
169.01440	100.0
170.01840	3.5
203.03476	1.8
257.04495	1.5
262.49506	1.3
275.88788	1.2
287.05670	4.5
303.01566	2.1
303.05124	43.7
304.05563	3.1
313.05685	24.3
331.06931	1.8
434.66934	1.2
457.07785	26.9
458.08356	3.5
483.07852	86.0
484.08017	10.9
490.35114	1.7
649.10687	1.4
735.98090	1.4
827.42487	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	941.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.7
69.03445	0.9
71.01396	0.9
71.98358	0.8
75.55092	0.7
82.30946	0.6
83.01396	0.9
95.01408	1.8
97.02966	1.3
107.01408	5.7
111.00897	1.1
123.00893	5.3
123.04508	3.6
124.01687	3.2
125.02457	100.0
126.02801	2.8
139.00386	2.7
140.01201	1.6
140.53491	0.7
149.02406	0.9
151.00381	4.5
151.04022	10.8
153.01938	7.7
160.78836	0.7
165.01926	0.9
168.00638	9.3
169.01440	86.5
170.01813	3.4
184.68921	0.6
193.01416	5.8
211.02489	16.7
229.93277	0.8
241.03571	1.2
257.04550	0.8
271.04611	13.2
287.07748	8.6
303.05118	7.3
313.05667	8.9
331.06760	20.9
332.07291	1.9
342.90332	0.7
345.24649	0.7
383.20322	0.7
439.08847	49.4
440.09222	5.1
457.07788	5.0
465.06723	2.1
483.07852	85.1
484.08286	9.2
635.08667	0.8
644.51508	0.9
843.76404	0.7
931.89301	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	941.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50159	0.2
69.15338	1.9
71.01385	2.6
83.01394	2.5
85.02961	1.7
87.00861	0.3
91.01911	0.5
93.03452	1.4
95.01369	0.7
99.00858	0.5
100.42448	0.2
103.00359	0.5
107.01409	7.4
108.02193	0.2
109.02960	3.8
112.74101	0.2
113.02487	1.9
117.02019	0.2
119.01366	0.6
121.02065	0.3
121.02969	6.4
122.03300	0.4
123.00841	0.3
125.02441	1.1
125.82078	0.2
135.00946	0.7
137.02458	0.3
139.04037	0.7
139.34531	0.3
149.02415	1.5
151.00386	30.0
152.00780	1.0
159.04501	0.7
161.02408	0.6
163.00362	4.0
163.04031	0.4
164.01097	0.4
165.01955	0.4
167.05040	0.5
169.01497	1.5
171.04564	0.3
173.05977	0.4
175.02464	0.9
175.03951	0.6
178.99879	14.9
180.00186	0.6
183.04492	0.7
185.06030	0.4
187.04059	0.7
190.99840	0.5
192.00655	0.5
193.01384	0.9
199.04019	0.6
201.05582	0.9
203.03444	0.8
211.03981	1.6
212.04565	0.3
213.01942	0.4
214.02710	0.7
217.04993	0.3
227.03563	1.6
228.04222	0.4
229.05078	1.6
231.02902	0.3
239.03494	0.8
240.04233	0.4
243.03000	0.4
245.04604	3.6
246.04887	0.4
247.02179	0.3
251.04135	0.3
255.02998	4.8
256.03693	0.7
257.04593	0.7
259.02463	0.5
266.02194	0.5
270.01633	0.3
271.02484	4.0
272.03094	0.5
273.04083	2.6
283.02515	2.2
284.03018	0.3
287.01965	1.3
300.02734	0.4
301.03552	100.0
302.03882	7.2
316.02234	6.9
317.02640	1.5
379.71234	0.3
463.08951	5.2
464.09280	0.5
477.06778	58.5
478.07120	6.8
649.33075	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	941.166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81956	0.3
69.29913	1.2
69.30333	0.7
79.95714	1.3
84.89469	0.3
96.96022	70.8
97.06600	0.6
98.21912	0.8
118.68506	0.3
125.02434	0.9
126.02727	0.3
135.08208	0.3
147.08202	1.0
165.09274	0.5
169.01405	0.8
189.01845	0.3
207.10136	0.3
208.31657	0.3
223.02426	0.3
225.11339	21.3
226.11652	1.5
249.04034	0.6
275.02011	1.1
276.02292	0.7
277.02545	0.7
278.02817	0.3
280.08551	0.3
300.99826	0.6
305.07031	100.0
306.07391	7.2
465.06769	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	941.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.3
71.01379	1.3
71.26989	0.9
83.01369	1.6
85.02967	1.0
86.04588	0.7
95.01379	1.4
96.96018	7.2
97.02990	1.6
98.95613	0.8
107.01401	4.1
111.00888	1.3
113.02494	0.9
113.25684	0.7
114.11926	0.8
123.00891	4.7
123.04525	9.3
124.01662	1.4
125.02459	78.7
126.02784	2.6
137.02449	1.1
138.45348	0.6
139.00389	1.6
140.01114	1.1
149.02481	1.4
150.03250	1.3
151.00412	6.5
151.04021	22.3
151.05244	1.1
152.04291	0.9
153.01950	20.7
154.02303	0.8
161.02420	1.5
166.99823	0.7
167.03473	0.9
168.00659	3.6
169.01437	100.0
170.01744	3.1
193.01454	1.9
195.32086	0.8
200.31821	0.7
211.02449	6.8
217.46657	0.7
247.02386	1.3
260.05618	0.7
271.04593	3.5
289.04001	1.2
295.04672	1.8
303.05103	19.4
304.05746	1.1
313.05676	14.5
314.05835	1.2
331.06668	1.5
423.06042	1.0
457.07852	12.2
458.08188	1.7
465.06625	5.2
483.07800	36.1
484.08243	3.6
635.08923	59.6
636.09338	7.8
703.93530	0.8
705.69196	0.7
806.34296	0.8
851.49103	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	941.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83141	0.5
67.01898	0.9
69.03461	1.0
69.58298	2.6
69.58692	1.0
71.01382	1.8
73.55436	0.6
79.01945	1.3
83.01431	0.7
85.02969	2.6
95.01402	1.5
97.02970	2.2
99.07935	0.5
101.02468	1.6
104.56647	0.6
107.01404	10.1
111.00922	1.7
113.02451	3.9
123.00905	6.4
124.01719	0.8
125.02463	72.2
126.02827	2.5
127.00386	0.6
129.98613	0.5
136.98831	1.1
139.00439	2.8
140.01205	2.8
141.01904	0.8
143.03479	1.1
151.00395	5.0
161.02420	0.6
165.01834	0.7
167.03545	0.6
168.00676	5.8
169.01442	99.7
170.01787	3.8
179.03459	1.0
193.01454	2.1
206.02219	0.5
211.02516	2.7
212.02943	0.6
221.04686	0.5
233.04686	0.6
253.03500	1.1
260.86365	0.6
271.04636	1.8
295.04785	1.6
313.05643	10.6
314.06058	1.0
331.06787	4.0
342.82095	0.6
465.06818	8.3
466.07114	0.8
483.07877	15.4
484.08279	1.9
525.22742	0.6
584.39410	0.5
635.08960	100.0
636.09247	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	941.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00509	2.1
69.00914	0.3
69.77227	0.2
70.02262	0.2
77.49068	0.2
88.98813	100.0
89.99139	1.3
99.92633	0.3
116.92873	1.3
117.03477	1.7
119.05036	0.3
122.89431	0.3
132.60823	0.2
132.66483	0.3
136.03754	0.2
139.96326	0.3
144.91988	0.2
145.02962	3.5
148.91049	0.6
151.03957	0.3
160.68225	0.3
161.02458	0.3
163.03964	0.5
175.03937	0.3
195.06631	0.3
227.16258	0.3
242.99760	0.3
308.80334	0.2
373.03741	0.3
413.23752	0.3
437.00073	0.3
502.18701	0.8
531.16498	0.3
686.05780	0.3
702.22601	0.3
851.23834	0.8
905.15765	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	941.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24013	1.3
75.23652	1.3
77.49514	1.2
88.98819	4.7
116.92857	6.8
117.03484	53.2
117.92892	1.6
118.03813	1.9
118.92691	1.4
119.05050	13.5
125.02434	1.2
132.02193	1.9
133.02979	20.1
134.03706	2.6
135.04547	21.7
135.61316	1.3
145.02972	100.0
146.03308	4.4
149.06126	1.7
156.82196	1.2
161.02470	66.4
162.02805	3.7
163.04045	7.5
177.05576	6.0
179.03517	18.6
221.04581	6.3
230.16554	2.0
251.05525	1.8
281.06726	3.6
323.07928	6.0
503.14114	2.6
649.17572	4.6
666.63214	1.4
791.94208	1.3
795.21259	23.5
796.22186	4.8
941.25116	29.4
942.25549	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	941.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
72.57331	1.0
93.46181	1.3
98.21713	2.6
103.00376	7.8
103.01506	100.0
134.03702	1.1
135.01234	1.1
171.09616	1.1
206.73578	1.2
229.15697	1.6
247.90724	1.1
262.11749	1.6
309.20676	2.5
332.41556	1.2
370.74686	1.3
821.19989	1.2
891.69458	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	941.522
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26049	2.0
103.00377	6.9
103.01505	100.0
116.92885	2.4
123.55439	1.3
127.06713	1.3
143.89253	1.1
309.20831	3.5
338.32071	1.4
375.26984	1.3
513.63416	1.4
726.55597	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	944.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02957	2.1
89.40154	1.8
91.99934	1.7
93.03452	2.5
98.22513	4.8
98.44195	1.7
109.02967	12.5
113.20658	1.7
123.00867	3.2
123.04562	5.7
125.02459	100.0
126.02805	5.4
133.02910	1.8
135.04550	4.8
137.02428	15.6
145.03017	5.6
149.02417	5.5
151.04031	8.4
159.04541	5.8
161.02461	27.5
161.06093	3.4
163.00450	2.5
163.04135	3.1
164.01215	3.1
165.01949	2.4
169.01465	24.2
172.49583	2.0
175.04033	6.4
177.01988	5.2
183.04517	2.3
185.06163	3.0
187.04048	6.8
199.04002	3.4
201.05569	3.3
203.07104	3.8
205.05103	4.3
217.04980	2.7
225.05643	3.6
227.03441	3.3
228.88739	3.0
241.05183	3.4
243.03036	6.5
245.04532	6.5
245.08218	4.1
253.04999	2.2
255.02985	7.4
256.03604	4.4
269.04587	28.2
271.06100	9.7
281.04514	3.9
285.04074	2.8
287.05597	16.3
289.07166	23.0
300.99957	5.9
303.05103	2.6
389.06763	3.4
395.07959	2.5
407.07764	49.5
408.08179	7.5
433.09448	4.3
439.06958	3.3
441.08469	6.6
449.08502	2.3
451.10388	3.8
458.51236	2.2
541.11670	11.8
559.12708	21.2
560.12811	3.7
577.12885	6.0
603.11108	4.4
711.13641	8.4
729.14771	37.5
730.14789	6.7
755.84247	2.4
778.19580	2.1
881.15253	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	944.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08128	11.7
69.08528	3.2
73.64095	1.4
97.78386	1.4
98.21763	3.3
100.61395	1.7
106.83510	1.5
111.46774	1.6
117.03484	13.9
119.05056	12.7
125.02438	1.6
132.02173	28.7
133.02928	4.0
134.03760	13.5
135.04471	3.0
136.01645	1.8
142.44321	1.6
145.02962	47.5
149.06071	2.9
151.04012	3.0
157.23305	1.4
160.01671	98.7
161.02467	17.2
163.04057	10.9
165.05566	2.0
175.04028	100.0
176.04477	7.5
179.03517	2.7
193.05142	8.0
235.06046	3.4
328.11902	2.0
340.29373	1.7
379.99365	1.7
483.12930	3.3
663.19196	2.4
687.19806	2.6
705.20471	17.1
706.20502	3.4
735.20959	2.2
821.22736	5.2
839.24213	9.4
840.23846	2.2
881.25092	49.8
882.25793	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	945.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34030	0.9
71.01388	3.0
79.98547	1.0
89.02449	3.2
96.96011	2.5
98.21634	0.9
101.02457	1.9
107.01391	4.2
111.00927	1.4
113.02441	2.9
119.03526	1.0
123.00915	3.7
124.01711	1.3
125.02457	63.6
126.02770	1.1
127.22434	1.0
139.00374	3.0
140.01205	2.1
151.00403	3.3
165.01854	1.7
168.00626	11.0
169.01433	75.7
170.01758	2.3
171.89656	1.0
181.01363	1.2
193.01457	5.6
204.47604	0.9
211.02502	36.2
211.04572	1.9
212.02800	1.2
229.01614	1.2
229.21800	1.8
241.03505	2.7
249.27029	1.0
271.04611	47.6
272.04950	2.9
279.52182	1.0
287.07806	2.3
301.00046	1.4
309.11874	6.5
313.05664	7.0
331.06747	8.0
338.09787	1.0
389.17230	1.1
399.12930	2.5
401.11017	5.3
423.05487	1.4
436.44632	1.0
439.08875	11.8
454.39481	1.0
461.13040	75.4
462.13400	8.8
483.07797	100.0
484.08105	10.8
776.49347	1.1
942.19092	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	945.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34030	0.9
71.01388	3.0
79.98547	1.0
89.02449	3.2
96.96011	2.5
98.21634	0.9
101.02457	1.9
107.01391	4.2
111.00927	1.4
113.02441	2.9
119.03526	1.0
123.00915	3.7
124.01711	1.3
125.02457	63.6
126.02770	1.1
127.22434	1.0
139.00374	3.0
140.01205	2.1
151.00403	3.3
165.01854	1.7
168.00626	11.0
169.01433	75.7
170.01758	2.3
171.89656	1.0
181.01363	1.2
193.01457	5.6
204.47604	0.9
211.02502	36.2
211.04572	1.9
212.02800	1.2
229.01614	1.2
229.21800	1.8
241.03505	2.7
249.27029	1.0
271.04611	47.6
272.04950	2.9
279.52182	1.0
287.07806	2.3
301.00046	1.4
309.11874	6.5
313.05664	7.0
331.06747	8.0
338.09787	1.0
389.17230	1.1
399.12930	2.5
401.11017	5.3
423.05487	1.4
436.44632	1.0
439.08875	11.8
454.39481	1.0
461.13040	75.4
462.13400	8.8
483.07797	100.0
484.08105	10.8
776.49347	1.1
942.19092	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	946.6718
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	6.3
83.05038	13.9
87.00510	0.4
108.04600	0.8
123.00987	0.5
125.07249	0.9
126.05628	0.6
143.08270	0.6
169.01367	0.4
207.15025	1.0
224.17731	2.2
225.16115	8.8
229.20377	0.5
301.00027	1.0
309.21991	0.6
323.09799	0.4
324.26752	0.8
331.05139	0.4
333.23108	0.6
341.29364	0.7
346.88190	0.4
352.15213	0.5
408.40359	0.5
422.13232	0.5
433.31757	1.4
450.34671	1.2
451.32797	6.0
452.33237	0.7
677.49622	1.7
903.66614	100.0
904.66876	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02430	0.7
81.44044	0.9
89.03970	1.1
95.01407	2.8
107.01323	0.8
115.01924	1.4
117.03465	4.0
117.58537	0.7
119.01427	1.0
123.00904	3.5
123.04563	0.9
125.02454	3.2
129.03526	1.0
131.01376	2.4
132.02202	0.9
133.02959	2.9
135.04381	0.8
143.01405	2.4
145.02997	9.9
147.00890	2.3
147.04536	2.3
149.02393	1.3
157.02927	1.7
159.00928	2.9
159.04474	0.8
159.93336	0.8
160.01653	1.7
161.02472	8.8
163.00404	1.9
163.04041	4.7
166.99927	1.5
169.01471	4.2
170.83763	0.9
171.00905	3.5
172.01688	1.1
173.02472	8.3
174.02994	0.8
175.00459	0.9
175.04008	3.7
176.01115	1.3
177.01985	4.2
179.03526	1.0
185.02406	2.4
187.00369	10.2
188.01120	1.6
189.01930	8.8
190.02599	1.5
191.03566	5.4
199.00392	5.1
200.01164	3.0
201.01932	9.1
202.02060	1.0
203.03490	3.6
205.01411	1.2
207.03070	0.9
213.01912	1.3
214.99883	16.7
216.00594	3.3
217.01424	13.9
218.02031	0.9
219.02971	2.0
226.99896	5.1
228.00586	1.5
229.01457	12.0
230.99391	1.0
231.02977	3.5
233.00858	1.4
242.99365	19.8
243.03114	0.9
243.99939	2.7
245.00912	25.3
245.03354	1.5
246.01431	2.3
247.02499	9.8
248.02844	1.2
249.04018	2.6
254.99388	2.9
257.01004	5.1
258.01590	1.2
258.98831	1.6
259.99622	1.9
261.00421	6.8
263.01968	1.0
270.98862	68.5
271.99304	4.6
273.00433	45.2
274.00940	3.5
275.01974	14.8
283.99649	2.3
286.98407	6.5
287.99173	1.0
288.99957	3.0
291.01523	2.9
298.98355	100.0
299.98932	15.9
300.99915	67.5
302.00378	4.8
316.99438	9.0
317.99576	1.1
381.03003	0.9
420.25906	1.0
443.02808	1.3
461.03668	1.9
478.74380	0.8
498.78555	0.8
583.03613	1.0
595.03888	2.8
676.44781	0.9
717.04010	0.9
745.02838	2.4
885.03821	1.3
895.03406	0.9
903.04572	1.1
913.03680	4.1
914.04779	1.2
931.04681	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	949.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04539	5.8
69.04959	2.6
69.66169	0.7
74.64174	0.8
77.24502	0.8
95.01392	2.6
97.79848	0.8
117.03466	4.1
119.05090	1.1
123.00916	4.8
125.02489	4.0
129.03474	2.3
130.08597	0.9
131.01430	2.0
133.02948	4.5
143.01404	2.9
145.02972	11.8
147.00964	1.8
147.04535	3.3
149.02501	1.8
157.02950	2.8
159.00917	2.9
159.04474	1.0
160.01590	1.3
161.02477	8.9
163.00366	2.3
163.04039	5.3
166.99808	1.8
169.01448	3.4
171.00871	6.1
172.01582	1.3
173.02422	8.6
174.03113	1.3
175.00435	1.6
175.03958	2.2
177.01965	3.4
179.03517	1.1
185.02466	2.5
187.00354	10.0
188.01042	2.6
188.51520	0.8
189.01935	12.6
190.02679	1.7
190.99953	0.9
191.03523	6.4
199.00470	4.4
200.01151	2.6
201.01949	9.7
202.99942	1.4
203.03531	2.6
205.01439	1.4
213.01912	1.4
214.99886	16.9
216.00620	2.1
217.01448	14.7
218.01968	1.2
219.02911	2.3
226.99861	5.3
228.00638	2.1
229.01439	11.4
230.02162	1.3
230.99312	1.2
231.03033	2.8
233.00932	1.5
234.29170	0.8
235.02521	1.6
242.99367	21.5
243.99982	3.1
245.00925	27.7
246.01292	1.8
247.02461	9.4
249.03976	1.0
254.99454	1.7
257.00940	4.3
258.01773	0.8
258.98837	1.8
259.99759	1.8
261.00433	5.9
262.01050	1.3
263.01865	1.5
270.98853	71.5
271.99319	6.7
273.00427	48.2
274.00879	4.8
275.01990	11.6
276.02249	1.2
283.02820	0.8
283.99655	2.7
286.98328	6.2
288.99957	3.2
291.01514	3.3
298.98349	100.0
299.98938	16.9
300.99921	64.3
302.00253	3.8
305.35962	0.8
315.01538	1.0
316.99432	8.3
317.99945	1.4
389.63385	0.8
417.04660	0.8
431.02554	1.4
433.03998	1.0
443.02460	1.7
461.03629	1.8
583.04285	1.3
595.03729	2.6
745.02539	2.2
885.04810	1.3
903.05499	1.4
913.03424	3.0
914.03064	1.1
931.04205	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	949.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.9
69.60323	0.9
71.01380	1.4
73.99928	0.8
83.01396	1.2
85.91460	1.1
95.01373	1.5
97.02954	1.6
101.02457	1.3
107.01392	8.1
109.02932	1.6
121.02932	1.1
123.00929	4.6
123.04536	2.0
125.02459	86.0
126.02808	3.2
137.02473	3.6
139.00404	1.1
140.01196	2.2
147.39948	1.0
149.02432	1.2
151.00386	2.3
151.04053	2.0
161.02486	3.4
167.03445	1.2
168.00644	4.3
169.01436	94.5
170.01732	3.8
175.03928	1.4
179.03487	1.2
183.02872	1.2
193.01454	3.2
195.25377	0.9
211.02448	5.9
241.03577	1.9
245.08298	1.2
271.04630	4.0
287.05600	1.4
289.07196	4.7
295.04562	2.0
306.63239	1.0
313.05838	6.2
378.41803	0.9
407.07544	6.9
423.05832	2.3
425.08740	5.1
451.10236	1.8
458.83627	1.0
465.06854	7.3
483.07617	6.3
577.13104	1.3
635.08948	100.0
636.09210	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	949.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89442	1.2
71.26740	1.9
74.47707	1.3
81.03435	1.8
81.93476	1.2
83.01400	3.8
93.03494	2.0
95.01396	1.9
97.02955	2.6
107.01442	1.7
109.02982	14.7
112.22166	1.4
121.02962	5.9
121.34247	1.5
123.04543	11.7
125.02466	100.0
126.02821	4.1
131.47992	1.3
133.02979	3.6
137.02458	16.4
138.11063	1.6
139.04048	1.5
145.02957	1.5
149.02467	3.4
150.86649	1.3
151.04044	11.1
159.04599	2.7
161.02460	22.8
161.06155	1.8
162.03195	1.9
163.00424	2.6
163.04037	3.4
164.01138	4.0
165.01958	3.4
169.01463	14.3
175.04042	7.8
175.07666	1.7
177.01976	6.0
179.03494	4.9
187.04036	7.2
188.04774	2.2
195.86394	1.5
203.03448	1.9
203.07185	8.6
205.01450	1.8
205.05113	7.3
215.03522	1.7
221.08215	1.6
229.05083	2.9
231.03152	1.7
243.03006	3.8
245.04514	6.5
245.08203	13.0
255.02989	7.5
256.03769	4.3
257.04550	1.5
269.04739	1.3
273.04062	3.4
281.04657	2.2
283.02634	2.0
285.04034	5.1
287.05585	12.3
289.07227	50.8
290.07574	3.4
295.91391	1.5
297.03830	1.6
299.05719	6.6
339.08713	3.8
371.10098	1.5
381.09818	1.9
407.07748	62.0
407.65375	1.3
408.07962	6.9
425.08829	55.3
426.09113	7.5
451.10425	13.9
452.10593	3.2
465.07074	1.7
559.12085	1.9
577.13654	31.7
578.13824	5.8
582.95148	1.3
635.08813	15.8
635.90955	1.7
636.09454	2.6
673.63434	1.6
720.40552	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	949.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02476	5.7
70.02871	4.8
71.01375	3.1
121.10645	2.7
125.02490	6.1
151.00427	4.4
169.01465	3.4
200.64058	2.8
243.03004	9.4
255.03004	21.2
270.99377	3.8
271.02438	32.1
272.03021	5.6
273.00311	3.7
297.45349	3.0
298.98471	3.7
299.99271	4.2
300.02747	82.3
300.05945	5.7
301.00021	4.9
301.03409	21.3
475.09146	4.4
475.91943	3.2
517.09888	100.0
518.10260	11.7
960.05872	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	949.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	0.5
71.01029	0.6
71.01388	9.5
71.27713	0.6
72.99302	1.5
73.02955	8.9
75.00907	0.4
80.66044	0.4
81.03416	0.4
82.45595	0.4
85.02954	3.9
87.00891	4.8
87.04511	1.7
89.02445	5.8
97.02979	0.5
101.02451	12.2
103.04019	5.7
111.04520	0.9
113.02466	1.4
115.04030	2.8
119.03508	2.1
125.02461	3.5
127.04024	0.6
129.05574	2.9
131.03517	5.0
143.03503	7.4
145.05086	2.2
163.06142	8.0
169.01440	2.7
205.07170	9.7
211.02505	1.0
214.31415	0.4
265.09253	0.5
270.98914	0.5
271.04459	2.0
273.00690	0.4
298.98373	0.7
300.99905	1.3
303.04141	0.5
331.06735	1.4
341.58682	0.4
370.17358	0.5
373.07761	0.6
389.13309	0.4
433.10120	0.5
444.47235	0.4
454.06256	0.4
455.17728	100.0
456.18073	8.4
485.49310	0.4
493.12213	2.2
657.13654	0.4
683.92859	0.4
840.20459	0.4
949.31012	1.0
950.33661	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	949.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56101	19.9
71.01401	21.0
73.63300	3.5
79.95734	5.2
80.96538	8.0
83.01417	5.4
83.05029	10.5
85.02956	8.8
87.00893	7.4
89.02468	20.4
97.02994	4.9
101.02467	17.3
110.32845	4.0
113.02499	8.8
119.03514	9.1
125.02465	8.6
125.37805	3.7
129.01921	6.8
135.08185	4.2
161.04614	5.2
163.11281	6.4
165.12819	8.6
181.12248	4.4
201.11276	4.5
205.04967	3.8
209.11835	97.5
210.12158	6.3
211.13387	8.9
221.15459	6.9
224.61446	3.7
227.12914	16.2
236.10553	6.7
259.15439	6.2
291.19702	40.8
298.98361	3.5
300.99805	7.6
309.20746	100.0
310.21140	7.2
323.22351	5.2
397.13416	26.8
415.14511	9.6
516.98260	3.9
541.08740	4.1
607.25879	4.6
689.33331	7.2
707.34821	17.1
784.05798	3.8
899.46210	6.8
949.46558	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	951.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27076	4.8
70.48994	0.6
81.76134	0.6
94.34335	0.6
95.01402	1.6
98.21732	0.6
105.69763	0.6
111.00913	0.9
117.03489	1.9
123.00903	2.7
124.01610	0.6
125.02485	2.9
126.55076	0.6
133.02963	1.9
144.47855	0.6
145.02986	4.4
147.04526	1.5
149.02393	0.7
157.02959	1.8
161.02489	3.1
163.00366	0.7
163.04001	1.7
166.99837	1.0
169.01460	2.4
173.02463	5.3
175.03972	1.4
177.01955	1.4
184.61363	0.7
185.02440	2.8
187.00368	2.3
189.01988	4.3
190.02574	0.8
191.03519	2.8
200.01175	0.6
201.01952	3.8
203.03494	2.2
205.01367	0.9
213.01935	1.3
214.99886	2.0
216.00671	1.5
217.01424	6.3
218.02029	1.1
219.02979	1.3
226.99832	1.5
228.00536	1.0
229.01392	7.3
230.02094	0.7
231.03023	1.7
233.00813	0.9
242.99376	3.4
244.00058	1.3
245.00909	11.8
246.01323	1.3
247.02437	5.4
249.04120	1.8
257.00952	3.9
261.00415	1.8
269.00894	0.6
270.98883	11.2
271.99313	1.3
273.00430	18.0
274.01080	2.7
275.01965	12.0
276.02222	0.7
283.99698	3.0
288.99847	0.7
291.01495	2.0
298.98340	17.4
299.99152	8.2
300.99915	100.0
302.00266	6.7
316.99426	2.2
343.00894	0.8
417.04300	1.1
433.03857	0.9
443.02298	0.7
445.04254	2.3
461.03595	2.4
463.05283	3.1
613.04504	1.6
765.05334	1.0
933.06299	7.5
934.06635	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	951.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44274	0.5
69.47556	1.1
69.47964	1.8
95.01405	1.4
98.22081	1.3
102.31739	0.5
117.03476	1.9
119.05070	0.9
123.00892	2.0
125.02477	2.0
125.85615	0.6
133.02983	1.7
135.04482	0.7
145.02968	4.7
147.00882	0.9
147.04538	1.6
157.02911	1.4
159.00830	0.5
161.02478	3.2
163.04019	2.1
163.97639	0.5
166.99896	1.7
169.01440	3.2
171.00876	0.7
173.02470	4.6
175.03960	1.4
177.01985	0.8
185.02460	1.9
187.00385	1.4
188.01274	0.7
189.01952	4.4
190.02747	1.5
191.03534	3.4
200.01065	0.6
201.01935	5.2
202.02599	0.6
203.03505	1.8
205.01526	0.6
207.03206	0.5
214.99870	2.2
216.00728	1.0
217.01439	5.6
219.02979	1.4
226.99846	1.1
227.03548	0.6
228.00606	1.0
229.01450	6.5
229.91005	0.5
231.02870	2.7
233.00917	0.8
242.99319	4.7
244.00136	0.6
245.00945	11.4
246.01288	1.1
247.02470	5.4
248.02931	0.7
249.04056	2.2
257.00858	4.1
258.01624	0.7
261.00375	1.5
270.98843	13.4
271.99493	1.5
273.00470	17.0
274.00964	1.7
275.01981	8.8
276.02127	0.6
283.99634	2.3
288.99789	0.9
291.01526	1.4
294.68259	0.6
298.98376	14.7
299.01764	1.1
299.99100	8.1
300.99933	100.0
302.00232	6.4
315.01437	0.6
316.99411	2.4
343.00803	0.7
389.05319	0.7
433.04013	0.9
443.02490	0.8
445.04135	2.3
461.03751	3.2
463.05151	2.9
541.98981	0.6
613.04431	1.0
649.77289	0.6
765.05743	2.1
915.05469	1.0
933.06342	9.0
934.07135	3.1
951.06818	0.9
967.52283	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	951.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
94.67104	0.7
95.01388	3.4
98.21969	5.6
102.44998	0.9
117.03482	3.0
119.05020	1.5
123.00889	4.0
125.02444	4.6
129.03448	1.5
131.01398	1.6
131.05055	1.0
132.02141	1.0
133.02963	2.0
137.02458	1.1
143.01382	1.6
145.02991	7.4
147.00897	0.9
147.04517	2.9
149.02504	1.2
157.02963	3.5
159.00922	1.4
159.04533	1.5
160.01633	0.8
161.02443	5.4
163.00403	1.7
163.04028	4.7
166.99902	1.9
169.01408	2.7
169.02922	1.1
171.00842	3.7
172.01651	1.8
173.02432	9.6
175.00366	0.9
175.04027	3.4
177.01904	1.3
185.02486	4.4
187.00368	2.5
189.01923	6.1
190.02798	1.3
190.82596	0.8
191.03542	5.7
192.00769	0.8
193.01563	0.9
198.89789	0.7
199.00412	5.1
200.01064	2.7
201.01976	12.3
202.98073	0.9
203.03497	4.9
205.01367	0.9
205.05287	1.0
213.02026	0.7
214.02519	0.9
214.99864	3.4
216.00641	2.3
217.01430	8.2
219.02969	2.6
226.99904	6.9
228.00546	2.5
229.01445	16.8
230.02026	2.8
230.99503	0.8
231.03027	7.0
233.97951	0.8
238.41937	0.8
242.99341	6.9
244.00041	1.3
245.00929	11.2
246.01352	1.5
247.02463	9.3
248.02917	1.0
249.04111	2.0
254.99414	2.7
257.00964	6.8
258.01572	2.1
258.98871	0.7
261.00427	2.6
270.98859	16.0
271.99353	3.3
273.00427	18.1
274.00949	2.5
275.02011	15.1
279.91049	0.9
283.99567	3.9
288.99881	0.8
291.01459	2.2
298.98392	23.7
299.99054	13.4
300.99927	100.0
302.00217	8.1
316.99432	1.6
349.29083	0.8
417.04684	0.9
445.04309	1.8
461.03717	1.4
560.41687	0.8
613.04688	4.7
631.05713	2.0
729.01532	1.1
745.03235	1.3
763.04083	1.5
897.04535	11.2
898.04065	2.7
915.05743	5.0
916.05316	1.3
917.72772	0.8
933.05658	2.9
934.07037	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	951.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
75.72198	0.7
82.07296	0.9
94.46401	0.8
95.01387	2.5
111.00908	0.9
117.03464	3.1
119.05058	1.2
123.00905	5.7
125.02449	2.7
129.03485	1.1
133.02931	2.8
137.02435	1.4
143.01360	1.1
145.02975	8.4
147.04497	2.0
157.02954	3.3
160.01648	1.5
161.02461	5.2
163.00360	2.2
163.03979	4.0
166.99930	1.5
169.01416	3.3
171.00900	5.7
172.01575	1.9
173.02463	8.5
175.04010	4.5
176.01021	0.9
177.01877	2.0
185.02435	3.9
187.00366	1.9
187.04013	1.0
189.01965	5.4
190.02583	1.5
190.99811	1.1
191.03523	4.9
199.00366	5.2
200.01164	2.7
201.01955	11.6
202.02618	1.3
203.03485	5.4
205.01447	1.0
205.05118	1.6
213.02042	1.4
214.99829	2.7
216.00700	1.8
217.01454	6.6
219.02939	1.7
226.99854	6.7
228.00499	1.8
229.01425	15.6
230.01994	2.7
231.03065	6.8
231.76807	0.9
232.03670	0.8
235.02161	1.0
240.50093	0.8
242.99348	5.3
244.00032	1.4
245.00937	11.2
246.01291	1.3
247.02469	8.8
248.02942	1.3
249.04033	1.9
254.99487	1.2
257.00974	7.3
258.01617	2.2
261.00467	2.3
270.98871	13.6
271.99585	2.5
273.00452	15.8
273.03265	1.7
274.01050	1.9
275.02017	15.0
278.63568	0.8
283.99615	3.5
291.01459	2.1
298.98340	22.4
299.99039	12.3
300.99921	100.0
302.00311	8.7
316.99435	1.1
445.04166	1.1
461.03528	1.1
613.04932	4.8
631.05640	2.6
745.02765	1.2
887.04608	1.0
889.06653	1.1
897.04449	11.0
898.03748	3.0
915.05194	3.6
916.05792	1.4
933.07330	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	951.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82334	0.3
69.17635	2.9
72.45387	0.3
83.01402	0.4
93.15316	0.4
98.22614	0.4
107.01398	1.5
108.02192	1.2
109.02942	0.7
115.20646	0.3
121.02959	1.0
125.02440	1.1
133.49934	0.4
134.04248	0.3
135.00883	0.4
145.15710	0.4
148.01674	1.5
151.00388	5.3
163.00369	1.9
164.01114	0.5
169.01414	0.6
178.12378	0.3
178.99904	3.1
184.67923	0.3
196.53366	0.3
199.03941	0.8
211.03998	0.7
215.03516	0.6
225.07933	0.4
226.02748	1.2
227.03596	1.8
243.03030	8.1
244.03596	0.8
245.01028	0.4
245.04550	0.8
246.04898	0.4
254.02290	2.1
255.03004	22.9
256.03363	1.6
271.02509	46.5
272.02927	4.5
283.02475	0.4
298.98624	0.8
299.02032	1.2
300.02780	91.6
300.99939	3.4
301.03351	20.7
302.03976	1.6
312.17203	0.4
456.18350	0.4
475.08853	100.0
476.09161	10.7
650.34253	0.5
808.18909	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	953.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52864	2.4
88.86644	0.4
95.01375	0.8
109.02970	0.4
116.02188	0.4
117.03464	1.1
123.00901	1.5
125.02449	3.6
135.04535	0.4
137.02490	0.5
145.02980	2.7
147.04527	1.1
149.02431	0.6
157.02977	1.4
159.04482	1.3
161.02409	1.4
163.00366	0.6
163.04031	1.3
169.01488	3.5
173.02463	3.4
174.03111	0.5
175.04030	2.1
177.01952	1.5
185.02426	3.6
187.04036	0.8
189.01932	1.8
190.02669	1.3
191.03467	2.5
193.01459	0.9
200.01109	0.6
201.01978	4.7
203.03534	3.5
205.01411	0.7
213.01903	1.2
216.00630	0.7
217.01451	3.1
218.02135	0.7
219.02995	1.9
228.00639	0.9
229.01421	8.6
230.01819	0.9
231.03001	3.1
243.03065	0.4
244.00058	0.9
245.00912	6.4
246.01349	0.7
247.02525	3.3
248.02934	0.7
249.04036	2.3
257.00931	6.2
258.01584	1.9
259.02145	0.5
270.98932	1.3
271.99356	0.7
273.00455	6.1
274.01093	2.4
275.01987	20.4
276.02426	1.9
283.99664	1.6
285.00018	0.6
291.01511	0.9
298.98462	1.1
299.99121	6.7
300.99918	100.0
302.00244	9.5
303.00510	1.9
315.01422	1.2
320.01495	0.4
343.01096	2.1
379.11850	0.4
438.84067	0.4
463.05197	4.3
464.05551	0.8
600.62573	0.4
615.06226	0.4
617.07501	0.7
718.26868	0.5
765.05640	1.9
871.37122	0.4
935.08044	10.6
936.08313	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	953.09
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02248	1.6
67.03188	1.4
71.05623	3.4
79.01904	1.8
90.45512	1.9
95.01395	6.5
96.22909	1.5
97.02953	2.2
107.01382	7.0
107.05011	1.5
109.84275	1.6
113.02503	1.6
113.16857	1.6
117.03450	4.7
119.05034	2.3
123.00907	15.6
124.01645	3.1
125.02460	53.9
126.02852	1.9
133.02948	5.4
135.04536	3.4
137.02446	2.3
139.00264	2.2
145.03004	12.2
147.04543	7.5
149.02466	3.9
151.00375	3.8
159.04541	3.7
161.02441	9.1
163.04016	7.4
164.01106	1.9
165.05573	2.5
166.99884	5.8
168.00597	3.8
168.99982	3.2
169.01433	62.5
170.01752	3.2
173.02438	12.4
175.04002	9.4
177.01935	5.2
177.05501	1.8
179.03442	2.2
185.02364	1.8
189.01939	18.6
190.02649	6.6
190.99866	1.7
191.03497	14.1
192.04152	2.5
193.05072	2.2
199.00348	1.8
199.15544	1.7
201.01859	6.9
203.03560	12.0
205.01431	3.9
211.23814	2.0
216.00558	5.4
217.01399	20.6
218.01996	3.7
219.03040	16.5
221.04555	15.7
222.01765	1.7
229.01442	6.0
230.01903	2.4
231.02980	2.4
233.04614	2.4
235.02438	3.8
242.99286	2.5
244.00142	9.7
245.00919	37.5
246.01418	4.5
247.02502	47.4
248.02840	5.3
256.89929	1.8
257.00955	2.6
263.01801	4.9
265.03522	4.4
270.98877	14.6
271.99564	4.7
273.00433	100.0
274.00824	9.9
275.01953	7.2
276.02542	2.0
277.03485	3.0
290.00497	2.9
291.01535	37.7
292.01852	2.7
295.04523	5.6
298.98325	15.8
299.98975	3.9
300.99930	40.5
302.00235	7.1
303.00391	3.0
313.05530	5.6
316.99356	7.0
373.05188	1.9
391.06760	3.6
417.04498	12.8
435.05914	3.5
463.05276	2.2
465.06805	16.6
551.04535	2.6
561.08539	2.0
587.06647	5.8
616.98322	3.1
617.07861	49.4
618.08124	6.7
713.10114	2.5
739.08032	16.3
740.08856	2.4
891.08521	5.5
909.08484	2.6
935.07709	3.8
936.07306	2.3
953.08905	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	953.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01903	0.7
71.38213	0.6
95.01388	5.1
95.54063	0.7
97.02938	0.8
98.22559	0.9
101.02415	0.7
107.01386	2.9
113.02416	1.1
117.03451	1.4
119.05038	1.0
123.00900	9.3
125.02451	18.3
129.03479	0.7
132.02132	1.0
133.02979	1.3
135.04523	0.6
139.00334	1.7
140.01160	0.9
145.02963	3.3
147.00842	1.0
147.04539	1.8
151.00369	0.8
157.02905	0.9
161.02472	3.1
163.00404	0.9
163.04030	2.8
166.99879	3.3
168.00636	2.6
169.00015	1.0
169.01437	17.0
169.02817	1.5
170.01857	0.7
172.01587	0.7
173.02431	3.1
174.03058	0.7
175.00255	0.7
175.04018	2.0
177.01907	1.2
177.05606	0.6
185.02463	2.5
187.00407	1.2
189.01900	3.8
190.02731	1.8
191.03534	5.4
193.01486	0.9
199.00372	0.8
200.01114	0.9
201.01897	5.1
203.03513	3.1
203.41385	0.7
205.04970	0.7
206.04431	0.7
214.99773	1.7
216.00726	0.9
217.01434	6.9
219.02953	2.6
221.04669	1.1
226.99745	0.8
228.00626	1.0
229.01434	8.2
230.01936	0.9
231.02881	3.0
235.02452	1.4
242.99384	4.4
244.00143	1.5
245.00919	8.3
246.01558	1.0
247.02472	14.7
249.03998	1.4
257.00983	2.3
259.02539	0.9
261.00345	1.2
263.01904	1.2
270.96188	1.1
270.98889	14.0
271.99432	2.8
272.97473	0.7
273.00433	16.3
274.00931	2.7
275.02002	4.1
283.99652	2.1
291.01450	3.3
298.98358	20.9
299.01727	1.4
299.99094	7.4
300.99921	100.0
302.00229	6.4
313.05716	2.3
427.03094	1.0
435.05945	1.0
465.06805	12.7
466.07135	1.6
587.06720	1.7
615.06921	0.8
617.07642	1.5
713.87390	0.8
739.07458	2.4
747.04694	0.9
749.06396	11.5
750.06274	2.4
765.05518	2.5
767.07397	9.8
768.07556	2.0
907.10223	0.8
917.07123	1.0
935.08398	5.0
936.08057	1.6
984.97809	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	953.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01915	1.9
73.93217	1.1
76.74515	1.0
85.02968	1.8
85.28687	1.1
89.03961	2.1
95.01408	7.8
97.02964	2.5
105.03468	2.5
106.75049	1.4
107.01405	7.4
111.00887	2.0
117.03477	6.1
119.05002	3.1
121.02924	1.6
123.00900	16.1
124.01688	1.5
125.02468	45.3
125.34317	1.4
129.03456	2.8
129.43416	1.2
133.02998	6.3
135.04524	1.9
137.02466	2.0
139.00389	4.2
140.01176	1.9
143.01413	2.2
145.02959	17.3
147.04539	4.2
149.02466	2.3
151.00410	3.0
157.02953	5.0
159.00877	2.2
159.04533	2.3
161.02434	10.3
163.00418	3.7
163.04016	6.8
165.01917	1.2
166.99876	5.8
168.00639	2.6
169.01443	42.8
171.00888	7.4
172.01706	2.0
173.02449	15.6
175.04012	4.0
177.01967	3.7
179.03575	1.9
181.06584	1.3
185.02412	5.2
187.00383	2.5
189.01970	17.6
190.02643	4.4
191.03502	7.8
193.01506	2.4
193.17781	1.3
199.00395	4.8
200.01161	4.4
201.01964	17.0
202.02448	2.0
203.03506	5.3
204.03983	1.4
205.01421	3.8
209.00880	1.3
211.02437	1.6
214.02679	1.4
214.99930	3.1
215.03610	1.8
216.00665	3.1
217.01431	23.2
218.01775	2.3
219.03015	4.8
221.04494	1.6
226.99843	7.3
227.03369	1.8
228.00618	2.7
229.01437	19.0
230.02065	3.5
231.03038	8.6
235.02438	3.0
242.99391	5.7
244.00146	4.9
245.00931	45.5
246.01318	3.2
247.02507	24.1
254.99297	2.7
255.03018	2.4
257.00851	8.7
261.00406	4.4
265.04944	1.6
267.02994	1.8
270.98883	15.9
271.99506	3.3
273.00427	68.2
274.00934	9.1
275.02002	16.2
279.02768	1.8
283.02164	1.7
283.99631	3.0
288.99911	1.7
291.01440	5.7
295.04852	1.9
298.98401	25.4
299.01718	2.0
299.99020	15.8
300.99927	100.0
302.00110	8.2
311.01978	1.4
313.05847	2.4
315.01517	1.5
316.99295	9.8
381.02310	1.4
463.05682	1.9
465.07053	6.7
571.07678	2.1
597.05157	3.9
615.05823	1.8
617.07745	13.0
618.07440	2.1
691.32556	1.5
739.06903	1.5
747.04523	3.8
749.06281	18.1
750.06488	4.4
765.05701	3.7
767.07556	18.7
768.07196	3.9
917.06580	12.6
918.06305	3.9
935.08588	7.0
936.07617	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	953.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.3
71.26556	0.2
71.26971	0.4
71.89459	0.2
77.79456	0.3
79.01884	0.2
89.03960	0.2
91.01879	0.3
93.03477	0.5
95.01394	1.3
97.02989	0.3
105.03455	0.3
107.01381	0.4
107.05050	0.2
109.02969	1.1
111.00871	0.7
115.05529	0.3
117.03484	0.7
119.01337	0.5
119.05029	1.4
121.02975	1.2
121.06583	0.5
123.00912	2.0
123.04525	0.4
124.01672	0.9
125.02467	6.2
129.03452	0.5
130.01266	0.3
131.01328	0.3
131.05049	1.0
133.02942	0.9
133.06581	0.9
135.04494	0.6
137.02457	2.9
138.03252	0.4
139.04037	0.5
145.02965	1.9
146.03775	0.5
147.00836	0.3
147.04555	3.0
149.02458	3.8
149.06087	1.7
150.03166	0.3
151.04025	0.7
157.02936	1.0
158.03806	0.5
159.04526	4.3
160.01590	0.3
161.02475	1.5
161.06055	1.3
162.03262	0.6
163.00383	1.5
163.04041	1.8
164.01141	0.7
165.01936	1.6
165.05675	0.3
167.03571	0.3
169.01451	5.8
169.02831	0.2
173.02502	2.2
174.03149	0.3
175.00468	0.4
175.04013	6.7
176.01111	0.5
177.01964	3.7
177.05560	2.6
179.03517	0.4
179.07077	0.3
185.02419	2.7
187.04031	2.8
189.00375	0.3
189.01895	1.8
190.02728	1.9
190.99930	1.2
191.03519	2.7
192.00626	0.3
192.99757	0.4
193.01443	5.9
193.05061	0.9
199.00224	0.4
200.01305	0.4
201.01949	3.5
202.02534	0.5
203.03525	12.0
204.04021	0.9
205.01501	2.3
205.05074	9.5
206.05315	0.4
209.01053	0.4
213.02039	0.7
214.02617	0.4
216.00677	0.4
217.01463	1.9
218.99426	0.8
219.02998	1.6
221.01041	0.3
221.04581	3.2
221.72226	0.2
226.99889	0.7
228.00696	0.3
229.01436	6.7
229.03583	0.5
230.01985	0.8
230.99405	0.4
231.00877	0.5
231.03006	8.2
232.03439	0.6
233.00920	0.3
237.00363	2.2
243.02905	0.4
245.00911	2.7
246.01527	0.4
247.02464	5.2
248.03151	0.9
249.04054	4.2
250.04492	0.5
257.00931	4.8
258.01633	1.0
265.03613	0.9
270.98914	0.5
273.00424	2.7
274.01062	1.1
275.01993	17.7
276.02261	1.5
283.99646	2.6
285.00143	0.4
291.01443	0.9
291.04883	0.3
293.03067	4.6
298.98480	0.5
299.99164	3.3
300.99924	100.0
302.00262	8.0
303.00519	0.3
315.01364	0.3
319.00970	5.2
320.01431	0.4
337.02036	6.5
337.05994	0.4
343.01294	0.3
381.04636	1.0
393.08020	0.4
409.07684	0.3
419.06125	0.6
437.07507	0.6
445.04224	0.7
453.07068	0.6
463.05243	3.2
481.06189	2.5
499.07217	0.6
575.10504	0.4
615.06140	1.1
616.06421	0.5
633.07294	1.7
651.08051	0.4
705.96588	0.3
765.05798	0.6
783.06683	0.9
784.08533	0.3
801.07117	0.6
909.09735	0.6
935.08093	1.5
936.07703	0.4
953.09308	5.3
954.09729	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	953.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01750	3.3
70.02156	5.3
96.57656	1.5
101.02486	1.8
108.92008	1.8
116.92857	2.6
125.02477	2.5
132.02180	35.6
133.02980	2.7
134.03757	19.3
135.04488	5.9
139.96904	1.7
147.04582	2.3
149.06111	2.9
151.74042	1.7
160.01669	100.0
161.02409	10.5
175.04010	87.4
176.04433	5.3
179.03569	3.3
191.07077	2.0
193.05017	13.5
207.06523	1.7
240.21635	2.1
247.02203	1.8
265.07077	2.2
300.99942	13.6
337.09152	1.7
416.16605	2.0
478.13080	2.0
577.98987	1.8
717.18909	2.7
735.21655	3.2
747.02515	2.2
759.21490	3.7
777.21979	7.2
778.23425	2.3
903.34351	1.9
911.26056	3.6
953.27765	10.3
954.26624	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	953.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	16.0
80.96519	3.0
81.03445	3.4
85.00442	4.8
85.02951	4.9
87.00855	3.7
89.02470	11.1
96.96046	4.4
98.21820	10.1
99.92581	3.9
101.02448	7.3
113.02498	3.4
116.92880	19.7
119.03500	4.0
125.02496	4.6
156.34514	3.0
161.04535	4.0
169.01491	3.7
171.10269	4.9
175.02483	7.5
179.05618	7.4
209.11848	67.9
210.12180	4.2
211.13452	7.5
227.12901	24.0
234.62701	3.4
235.08235	4.6
253.06792	3.8
275.01874	3.6
291.19760	22.8
300.99875	14.4
302.00397	3.5
303.42090	3.1
309.20740	100.0
310.21207	4.7
333.30798	2.8
352.80228	3.0
397.13531	36.7
415.14581	9.8
475.33759	3.0
495.98340	3.3
610.47760	3.8
689.33716	10.9
707.35016	24.5
753.94312	4.0
899.46777	14.9
917.47345	12.2
918.46533	3.3
953.45233	17.7
954.44482	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	955.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81915	0.4
69.03461	0.7
71.01381	1.2
73.56903	0.4
79.01865	0.5
85.02932	0.9
93.03484	0.5
95.01398	3.0
97.02966	1.3
97.63911	0.5
107.01423	2.9
109.82107	0.4
113.02422	0.7
119.05035	0.7
121.02943	0.5
121.06639	0.7
123.00893	7.3
124.01668	1.7
125.02462	26.0
131.05048	0.8
133.02963	0.9
135.04564	0.7
137.02461	0.7
139.00362	1.0
140.01181	0.8
143.03572	0.5
145.02972	1.9
147.04530	2.8
149.02419	0.7
151.00389	1.1
157.02982	1.0
158.03745	0.9
159.04524	4.2
161.02419	1.5
163.00414	0.7
163.04022	1.5
165.01926	0.6
166.99850	1.5
167.03551	0.5
168.00635	1.7
169.01442	25.8
170.01755	0.7
173.02451	2.0
174.03062	0.6
175.04033	5.8
177.02000	3.3
177.05583	0.9
185.02411	2.3
186.02940	0.5
187.03986	2.5
189.01944	1.9
190.02699	1.2
191.03592	3.6
193.01416	1.0
197.68045	0.4
201.01988	3.7
202.02605	0.7
203.03531	14.6
204.03851	1.3
205.01459	0.7
205.05045	2.6
213.01997	2.2
214.02594	0.9
217.01462	1.6
219.02989	3.0
221.04619	2.1
222.72083	0.5
229.01413	9.6
230.01913	1.4
231.03003	14.7
232.03522	1.1
235.02417	1.0
245.00932	3.0
246.01447	0.6
247.02574	4.0
248.03209	3.0
249.04056	38.2
250.04459	2.1
257.00900	11.5
258.01721	5.6
259.02225	1.1
273.00354	4.2
274.01108	2.8
275.01990	100.0
276.02292	7.0
277.03085	0.9
283.99539	1.0
291.01273	0.6
293.03070	2.3
295.04733	2.4
299.99097	1.3
300.99918	25.5
302.00269	6.8
303.00388	3.2
313.05740	3.1
319.01004	1.5
356.12653	0.4
366.95261	0.5
401.05011	0.6
419.06226	21.8
420.06525	2.2
437.07513	0.8
447.05969	1.3
463.05139	3.5
464.05475	0.6
465.06750	7.1
466.07227	0.8
494.46097	0.5
571.07312	2.6
572.07397	0.8
589.07965	1.7
616.98224	0.9
617.07861	13.1
618.08148	2.0
635.09100	2.8
636.09113	0.8
741.09625	7.8
742.09705	1.5
767.06384	0.8
785.08282	1.7
786.09210	0.6
893.10547	6.0
894.10602	1.0
937.10010	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	955.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.7
67.62664	0.7
69.07594	0.7
71.01367	0.9
78.02243	0.8
84.59361	0.6
85.02950	1.7
95.01411	4.6
97.02976	0.9
98.22523	2.6
107.01407	3.8
109.02929	0.8
113.02478	1.1
119.05039	1.0
123.00888	8.1
124.01706	1.4
125.02461	33.9
126.02825	1.0
130.84402	0.8
131.05020	1.0
133.02956	1.1
135.04575	0.8
137.02403	0.9
139.00349	1.1
145.02957	1.8
147.04526	2.7
154.46544	0.7
157.03027	1.2
159.04556	4.4
161.02438	1.6
163.04012	1.7
166.99922	1.1
168.00667	1.6
169.01439	33.7
170.01752	2.0
173.02484	1.2
175.04039	7.6
177.01944	2.7
185.02484	3.5
187.04042	2.2
189.01909	2.1
190.02670	1.4
191.03491	3.8
193.01428	2.0
201.01962	5.1
202.02576	1.1
202.55154	0.8
203.03517	19.0
204.03864	2.0
205.01413	1.1
205.05034	1.1
211.02516	1.0
213.01921	2.8
214.02829	1.4
217.01424	1.1
218.02042	0.8
219.02974	2.7
221.04564	2.1
229.01437	15.5
230.01991	2.0
231.02994	21.7
232.03435	1.7
235.02524	1.8
245.00970	2.2
246.01454	0.8
247.02483	5.7
248.03085	1.5
249.04073	52.1
250.04408	3.2
257.00949	13.0
258.01642	7.1
259.69049	0.8
261.04111	0.9
273.00412	7.2
274.01016	2.7
275.02002	100.0
276.02377	8.3
277.03119	1.3
279.05237	1.5
291.01501	2.1
293.02979	1.9
295.04526	1.1
298.98602	0.9
299.99072	0.9
300.99918	18.5
302.00247	8.7
303.00479	5.1
331.06516	1.0
419.06229	30.3
420.06543	2.1
437.07333	1.0
463.05231	3.0
464.05417	1.0
465.06647	1.9
483.07712	4.7
553.06555	1.7
571.07202	0.9
613.04968	5.1
631.05963	2.2
635.08997	13.2
636.09491	1.7
759.10651	3.8
760.14026	0.9
911.11597	9.4
912.11700	2.5
937.07666	2.6
938.10040	1.1
955.10205	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	955.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03473	1.0
69.65297	3.5
71.01389	1.4
71.12992	0.7
82.03810	0.5
85.02951	1.6
95.01399	3.7
97.02966	0.9
107.01398	3.7
109.16826	0.6
112.62582	0.6
113.02423	0.9
123.00914	7.2
124.01685	2.0
125.02462	37.4
126.02796	1.1
129.03459	0.7
131.05013	2.1
133.02959	1.6
135.04565	0.7
145.02979	2.4
147.04509	2.4
149.02470	1.0
151.00374	0.9
151.04031	0.9
157.02992	1.4
158.03709	0.7
159.04512	4.9
161.02426	2.5
163.04037	2.2
164.01083	0.7
165.01945	1.4
168.00533	0.9
169.01437	37.7
170.01785	1.6
173.02451	2.3
175.04045	6.9
176.04298	0.8
177.01952	3.8
177.05621	0.6
185.02527	3.2
186.02892	0.9
187.04041	1.8
189.01985	2.1
190.02673	2.3
191.03482	3.3
193.01439	3.2
201.01961	5.4
202.02583	0.9
203.03528	18.1
204.03856	0.9
207.02945	1.2
211.02571	1.5
213.01926	4.0
214.02675	1.0
217.01450	2.5
219.03041	3.4
221.04558	2.2
229.01436	13.5
230.02057	1.9
231.03004	21.1
232.03438	1.5
244.38046	0.7
245.00838	3.3
246.01416	1.0
247.02498	4.6
248.03017	1.2
249.04059	54.6
250.04456	3.3
257.00943	15.0
258.01633	7.3
259.01892	1.0
261.03848	1.5
271.04715	0.8
273.00391	6.6
274.01059	2.0
275.01999	100.0
276.02316	8.3
277.02786	1.4
279.05164	0.7
283.99622	0.7
291.01572	1.6
293.03110	2.4
295.04633	1.6
299.99289	1.3
300.99896	22.9
302.00232	9.8
303.00433	5.8
313.05518	0.8
321.02704	1.1
419.06238	28.0
420.06375	3.9
463.05292	3.0
464.15390	0.7
465.06525	1.4
483.08038	3.5
553.06262	1.6
571.07361	0.8
635.08661	10.9
636.09375	2.1
759.10419	3.5
911.12036	8.5
912.11780	2.1
937.08405	2.9
955.09198	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	955.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44238	1.1
68.98579	16.4
82.41154	1.2
88.38657	1.4
91.39710	1.3
97.67834	1.3
98.21795	2.4
102.28745	1.3
104.07085	1.5
118.79422	1.4
227.03505	18.6
229.05153	1.7
255.02988	29.9
256.03604	4.0
284.03259	33.4
285.04044	41.1
286.04404	2.8
415.82141	1.5
459.09375	100.0
460.09879	11.7
783.53204	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	955.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40088	0.4
68.98073	3.1
68.98492	1.6
71.01385	5.2
72.99306	1.1
73.02952	5.8
81.79143	0.4
85.02947	2.6
86.00132	0.7
87.00889	3.5
87.04539	0.7
89.02450	4.2
97.55880	0.5
101.02458	7.4
103.04023	3.9
113.02489	1.2
115.04013	2.3
119.03504	1.4
125.02451	1.1
129.01964	0.7
129.05609	2.9
131.03494	3.9
137.02502	1.7
143.03513	5.4
145.05008	1.1
155.86363	0.5
159.04536	1.6
163.00424	3.4
163.06155	6.0
165.01912	0.6
175.04042	0.9
177.01952	1.0
185.02455	0.6
191.03474	0.9
193.01492	1.5
201.01988	1.2
203.03505	1.9
205.05196	1.1
205.07147	8.5
206.07414	0.5
213.70360	0.5
217.01506	0.6
219.03120	0.8
221.04672	0.8
229.01463	3.1
231.03082	2.1
237.00369	0.7
245.00896	0.8
247.02496	1.3
249.04047	1.9
257.00943	3.7
258.01605	0.9
265.09280	0.7
273.00458	0.7
275.02014	9.5
276.02295	0.6
293.03064	1.6
300.99936	12.6
302.00290	1.6
310.05353	0.5
320.73514	0.5
399.05850	0.6
455.17737	100.0
456.18097	10.5
479.04980	0.5
481.06241	8.8
482.06738	0.6
499.07263	4.7
500.07748	0.8
504.94461	0.4
573.84503	0.6
781.79852	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	955.267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	0.5
70.79571	0.3
71.01387	2.7
83.01394	0.5
83.93343	0.3
85.02945	0.3
87.00877	0.5
89.02461	0.4
89.03979	0.8
93.03453	1.3
95.01437	0.3
97.02955	0.5
97.23230	0.3
98.22526	1.0
99.00878	0.9
101.02460	0.7
113.02467	1.0
115.00402	2.0
116.92879	0.6
117.03481	45.2
118.03825	1.3
119.05047	14.2
121.02961	0.7
123.04550	0.6
125.02463	0.7
127.41400	0.3
129.85091	0.3
130.04294	0.4
132.02188	0.8
133.02963	0.4
134.03743	0.8
135.04550	0.4
143.05052	0.7
145.02969	100.0
146.03310	3.5
147.04555	0.5
150.03226	0.6
151.04048	0.6
155.77177	0.3
157.01411	0.5
158.03716	0.4
159.04572	0.4
160.01662	2.4
162.03311	0.5
163.04031	12.7
164.04356	0.5
169.06584	0.3
173.06111	0.6
175.03995	2.7
176.04646	0.3
187.04128	0.5
193.05014	0.8
197.06082	1.3
205.05023	0.6
207.06558	0.3
217.05130	0.7
225.05615	3.4
226.06380	19.0
227.06895	1.4
228.02054	0.4
235.06119	0.9
240.07976	0.7
241.08737	5.5
245.04637	0.4
250.06401	0.4
251.07079	1.1
252.07832	0.5
274.27914	0.4
278.05978	0.4
279.06790	0.7
280.07382	1.2
289.07166	0.7
293.08258	0.5
295.09738	1.2
306.05402	0.8
307.08380	0.5
321.07562	0.9
323.09204	0.4
339.08832	1.3
353.10269	0.7
357.09686	1.5
367.11868	0.5
451.12369	0.6
453.11813	1.5
469.13293	1.0
519.14252	0.4
549.12640	1.0
551.11920	1.4
567.13635	4.2
568.14331	0.4
593.13196	0.4
597.14435	0.4
615.16791	1.5
633.17511	0.4
663.19171	0.7
713.17236	10.9
714.17529	1.8
715.18414	0.7
717.71771	0.3
809.23004	4.5
810.23212	1.3
955.26678	9.5
956.27448	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	955.2668
Annotation	Vanicoside B
Peak:m/z	Relative Intensity
71.01406	0.2
78.92359	0.2
87.00909	0.3
89.04006	0.5
93.03477	0.4
98.21781	0.8
113.02497	0.2
117.03479	51.6
118.03824	2.1
119.05040	9.0
120.05365	0.3
131.05025	0.4
132.02203	0.9
133.02992	0.7
133.06596	0.3
134.03752	2.1
135.04547	0.7
145.02969	100.0
146.03316	4.6
147.04494	0.2
149.06075	0.4
159.02809	0.2
159.04465	0.2
160.01694	3.0
161.02460	2.3
161.06122	0.4
163.04028	5.8
173.06084	0.4
175.04022	3.1
176.04735	0.3
178.02771	0.3
179.03502	0.8
187.04042	0.7
191.07184	0.8
193.05046	1.9
205.05072	0.3
217.05168	0.4
221.04471	0.2
229.53931	0.4
235.06114	1.1
289.07291	0.3
295.08203	0.5
307.08304	0.2
321.67200	0.2
323.07773	0.2
390.58542	0.2
453.11841	1.5
454.11856	0.2
645.18585	0.6
663.19415	2.0
791.21606	0.7
809.23059	8.5
810.23230	1.9
955.26886	5.1
956.27356	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	957.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.6
74.02455	0.6
88.04065	0.7
91.14958	0.5
95.01392	2.7
96.04945	0.5
100.24435	0.4
104.83548	0.5
106.20331	0.5
113.89291	0.6
115.00396	0.5
117.03477	0.8
121.02992	0.6
123.00878	3.0
125.02458	3.1
129.03419	0.6
132.02165	0.6
132.03055	2.7
133.02956	0.9
137.02510	1.3
145.02957	2.6
147.04558	1.1
149.02477	0.6
157.02965	1.3
159.04521	1.5
161.02448	1.6
163.00403	0.6
163.04002	1.5
164.67522	0.5
165.01895	0.9
169.01508	2.6
171.00941	0.6
173.02411	3.5
175.00238	0.5
175.04002	2.3
177.01935	1.5
185.02457	4.1
189.01921	1.7
190.02776	0.7
191.03503	2.2
193.01521	0.9
199.00420	0.9
200.01167	0.9
201.01959	5.7
202.02516	0.6
203.03510	3.5
205.01414	1.3
209.00974	1.1
213.01981	1.1
217.01439	1.7
219.02975	1.2
226.99849	1.6
229.01442	11.5
230.01944	0.8
231.02991	3.5
242.99179	0.7
245.00951	3.7
246.01454	0.7
247.02461	2.9
249.04012	3.3
250.04265	0.7
257.00946	8.2
258.01596	1.8
270.98782	1.3
273.00323	3.7
274.01056	1.0
275.01996	20.5
276.02289	2.8
277.02432	0.5
283.99738	3.5
298.98383	2.4
299.99075	4.0
300.99927	100.0
302.00253	8.1
303.00522	1.6
308.07840	2.1
326.26294	0.6
327.56775	0.5
481.06207	3.6
613.04785	4.5
614.05261	1.2
615.04883	0.7
631.05634	1.7
633.07312	5.8
673.06213	0.7
721.08636	0.6
745.03088	1.2
763.04108	1.5
781.05328	3.2
783.06970	4.0
795.07526	0.9
821.04633	1.0
897.06561	0.9
957.08252	1.6
958.07953	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	957.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.6
74.02455	0.6
88.04065	0.7
91.14958	0.5
95.01392	2.7
96.04945	0.5
100.24435	0.4
104.83548	0.5
106.20331	0.5
113.89291	0.6
115.00396	0.5
117.03477	0.8
121.02992	0.6
123.00878	3.0
125.02458	3.1
129.03419	0.6
132.02165	0.6
132.03055	2.7
133.02956	0.9
137.02510	1.3
145.02957	2.6
147.04558	1.1
149.02477	0.6
157.02965	1.3
159.04521	1.5
161.02448	1.6
163.00403	0.6
163.04002	1.5
164.67522	0.5
165.01895	0.9
169.01508	2.6
171.00941	0.6
173.02411	3.5
175.00238	0.5
175.04002	2.3
177.01935	1.5
185.02457	4.1
189.01921	1.7
190.02776	0.7
191.03503	2.2
193.01521	0.9
199.00420	0.9
200.01167	0.9
201.01959	5.7
202.02516	0.6
203.03510	3.5
205.01414	1.3
209.00974	1.1
213.01981	1.1
217.01439	1.7
219.02975	1.2
226.99849	1.6
229.01442	11.5
230.01944	0.8
231.02991	3.5
242.99179	0.7
245.00951	3.7
246.01454	0.7
247.02461	2.9
249.04012	3.3
250.04265	0.7
257.00946	8.2
258.01596	1.8
270.98782	1.3
273.00323	3.7
274.01056	1.0
275.01996	20.5
276.02289	2.8
277.02432	0.5
283.99738	3.5
298.98383	2.4
299.99075	4.0
300.99927	100.0
302.00253	8.1
303.00522	1.6
308.07840	2.1
326.26294	0.6
327.56775	0.5
481.06207	3.6
613.04785	4.5
614.05261	1.2
615.04883	0.7
631.05634	1.7
633.07312	5.8
673.06213	0.7
721.08636	0.6
745.03088	1.2
763.04108	1.5
781.05328	3.2
783.06970	4.0
795.07526	0.9
821.04633	1.0
897.06561	0.9
957.08252	1.6
958.07953	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	957.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01392	1.2
101.25726	0.3
117.03500	0.9
123.00909	0.7
125.02468	0.9
129.03494	0.3
133.03006	0.7
135.04346	0.3
137.02493	0.5
139.00348	0.3
141.96376	0.3
145.02953	1.9
147.04543	1.0
149.02426	0.3
153.02097	0.3
157.02946	0.9
159.04517	0.4
161.02469	0.8
163.00383	1.1
163.04062	1.1
164.98260	0.4
165.01927	0.9
169.01434	0.4
172.01776	0.4
173.02434	2.6
175.03995	1.0
177.02003	0.7
185.02466	3.2
187.04082	0.3
189.01952	0.9
191.03542	1.2
193.01651	0.3
199.00372	0.6
200.01186	0.4
201.01967	3.0
202.02357	0.3
203.03531	2.5
205.01524	0.6
208.00058	0.4
209.00879	0.9
213.01878	1.1
217.01439	1.2
218.01871	0.3
219.02991	0.8
221.00858	0.8
226.99951	1.1
229.01442	7.4
229.54053	0.5
230.01869	0.3
231.03009	1.6
244.00069	0.3
245.00932	3.2
246.01111	0.4
247.02469	1.1
249.04045	1.4
251.02036	0.6
251.55699	0.4
254.99559	0.4
257.00940	5.1
258.01675	1.2
259.01959	0.3
270.98886	1.1
273.00424	1.8
274.01212	0.4
275.01990	13.6
276.02341	0.9
283.99615	3.3
285.00403	0.4
291.01471	0.4
298.98331	1.7
299.99185	3.5
300.99924	100.0
302.00287	7.8
303.00381	0.5
311.04276	0.5
319.00754	0.4
479.04663	0.6
481.06305	3.1
482.06708	0.4
593.07684	0.4
745.02460	0.4
763.03918	1.1
781.05322	1.7
782.05328	0.9
783.07269	2.1
784.06409	0.5
821.04626	1.0
897.06464	0.5
957.07764	1.1
963.73743	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	957.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26125	0.9
71.26480	1.0
77.85565	0.7
83.01359	0.9
95.01409	2.5
111.00909	0.9
117.03479	1.7
123.00883	1.8
125.02443	3.5
126.02765	1.0
133.03008	1.5
137.02431	1.0
139.00363	1.1
145.02946	5.1
147.04539	2.6
149.02397	0.9
157.02960	3.5
159.04488	1.9
161.02457	2.3
163.00375	1.3
163.03976	3.3
164.98296	0.8
165.01956	1.0
169.01393	2.2
170.01866	0.8
173.02425	5.5
175.04015	5.1
175.05334	0.8
177.01982	2.6
185.02461	6.8
187.04057	1.5
189.01913	3.8
190.02684	1.1
191.03511	4.6
193.01439	1.3
201.01988	10.2
202.02571	0.9
203.03473	7.6
205.01285	1.3
209.00902	2.7
213.01888	1.1
217.01442	3.7
218.01706	1.1
219.02994	1.8
221.01050	1.1
226.99942	1.2
228.00644	1.2
229.01427	19.2
230.01877	2.7
231.02965	5.8
232.03354	0.9
233.01025	1.0
242.99290	0.9
245.00922	8.1
247.02452	6.5
249.04039	5.1
257.00931	16.7
258.01541	5.2
270.98828	3.4
271.99442	1.0
273.00455	7.5
274.00998	2.4
275.02011	72.9
276.02310	6.0
283.99573	4.0
285.00235	1.0
291.01297	1.0
298.98322	4.7
299.99045	5.3
300.99918	100.0
302.00250	10.0
303.00171	1.5
319.01056	1.0
481.06204	3.6
496.91446	0.9
593.07001	0.9
619.05219	1.0
673.06726	2.6
745.03290	1.5
749.08630	0.9
763.03973	2.2
779.87213	0.8
781.05188	2.1
783.07172	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	959.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51709	0.5
68.96821	1.2
68.97224	5.4
69.03452	1.3
71.01365	1.3
73.02975	0.8
81.03472	0.7
83.01373	0.9
85.02960	2.4
95.01408	1.5
97.02970	2.2
101.02437	2.2
107.01395	9.7
111.00888	2.0
113.02495	2.7
123.00899	6.3
124.01697	1.4
125.02460	69.5
126.02782	1.7
136.98813	0.9
139.00380	2.4
140.01184	3.4
149.02464	0.7
151.00427	3.4
163.04024	0.8
166.99904	0.6
167.03471	0.6
168.00670	5.2
169.01443	99.2
170.01794	3.4
177.01881	0.9
179.03557	1.1
182.54507	0.6
183.03000	0.6
189.01913	0.6
191.03468	1.2
193.01447	2.2
201.02069	0.8
203.03569	1.4
205.01276	0.6
211.02541	3.1
217.01526	0.7
223.02617	1.0
229.01428	1.5
232.03325	0.6
235.02541	0.7
236.25371	0.6
245.00957	0.6
247.02403	0.7
249.04063	1.0
251.05363	0.5
253.03464	0.7
257.00861	1.0
259.01617	0.9
271.04785	3.1
275.02039	6.9
276.02362	2.8
277.02451	1.3
280.97772	0.8
295.04712	0.9
300.99945	10.5
302.00229	6.6
303.00354	3.2
313.05670	11.1
331.06604	4.1
465.06656	5.0
483.07846	16.1
484.08170	1.3
601.08508	0.6
633.07733	1.3
634.08185	1.3
635.08948	100.0
635.98657	0.9
636.09253	18.0
654.59937	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	959.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.8
69.03473	1.2
71.01381	1.6
71.26045	0.5
81.03461	0.6
83.01396	0.5
85.02954	2.3
85.94143	0.4
95.01386	1.9
97.02973	1.4
101.02460	1.7
107.01405	8.8
107.47160	0.4
108.03362	0.4
109.03055	0.4
111.00891	1.9
113.02466	3.8
117.87603	0.4
121.76088	0.4
123.00892	5.2
124.01692	0.9
125.02464	63.4
126.02798	2.2
132.02972	0.4
136.98802	0.8
137.02446	1.0
139.00374	3.4
140.01228	2.3
141.01854	0.5
143.03491	0.6
145.03003	0.7
151.00378	2.7
161.02480	1.1
163.04034	0.9
165.02031	0.6
166.99849	0.7
167.03580	0.8
168.00661	4.7
169.01443	90.2
170.01791	3.5
173.02374	0.5
175.04045	0.6
177.02013	0.5
179.03476	0.6
185.02492	0.7
189.01933	0.7
191.03525	1.4
193.01453	2.2
201.01967	0.9
203.03494	1.0
211.02477	2.8
219.02925	0.8
223.02559	1.2
229.01443	1.3
230.01619	0.7
231.02217	0.5
235.02527	0.7
245.00935	0.6
247.02435	1.0
249.03969	0.5
253.03604	0.6
257.00864	1.3
258.01248	0.6
264.73178	0.5
271.04660	2.5
275.02005	6.8
276.02322	3.0
277.02563	1.2
295.04767	1.1
299.99020	0.6
300.99908	11.7
302.00299	4.9
303.00409	2.4
313.05728	9.6
314.06058	1.1
331.06708	3.0
354.72205	0.4
465.06787	4.6
483.07855	14.2
484.08194	1.9
633.07373	1.6
634.07544	0.6
635.08948	100.0
636.09326	15.5
636.17279	0.3
785.07367	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	963.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10003	4.2
69.10426	4.1
92.09038	0.9
95.01409	3.6
98.22652	1.9
115.01893	1.2
117.03465	2.7
123.00923	6.2
125.02454	2.3
129.03423	1.1
131.01418	1.9
133.02968	3.3
135.04520	1.2
143.01387	3.1
145.02974	10.7
147.00865	1.6
147.04521	3.6
149.02481	1.0
157.02963	2.6
159.00844	2.3
161.02470	10.3
163.00430	1.8
163.04028	5.1
166.99864	2.4
169.01418	2.1
171.00890	8.2
172.01610	1.8
173.02434	9.1
174.03146	1.1
175.04037	3.8
176.01108	1.6
177.01953	3.2
178.40570	1.0
179.03526	3.8
185.02435	4.0
187.00415	8.5
188.00998	1.3
189.01947	10.5
190.02693	2.2
190.99864	2.0
191.03525	9.5
193.01459	1.2
199.00360	6.9
200.01099	2.9
201.01953	14.0
203.03497	2.7
205.01500	1.3
213.01962	1.3
214.99866	9.8
216.00662	2.5
217.01445	31.2
218.01878	2.7
219.02911	4.6
226.99924	8.0
228.00569	2.4
229.01428	16.4
230.02153	1.5
231.02998	3.6
233.00952	1.7
235.02425	1.1
242.99371	19.9
244.00012	5.4
245.00937	18.3
246.01605	1.6
247.02441	10.3
249.04079	1.5
254.99318	3.5
257.00995	5.1
259.99533	2.0
261.00421	6.6
263.01947	3.6
270.98868	61.1
271.99399	6.1
273.00424	34.2
274.00781	4.0
275.02036	5.1
277.03412	1.1
286.98560	1.8
287.01974	1.3
288.99741	3.1
291.01495	3.5
298.98355	100.0
299.99014	18.7
300.99915	68.1
302.00278	4.8
303.01514	3.2
316.99411	13.5
335.00482	2.4
339.67673	1.0
349.02136	1.4
353.08716	1.4
399.03503	3.5
417.04620	1.5
425.01575	1.4
595.03711	2.1
689.04248	1.4
717.04279	1.6
745.02747	1.4
777.05811	1.9
895.02460	1.5
913.03204	3.2
945.06598	8.3
946.06647	2.4
963.07452	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	963.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
75.59534	0.4
89.03983	0.7
93.03474	0.8
95.01385	2.8
105.03510	1.0
107.01405	0.8
115.01965	1.5
117.03489	3.8
119.01425	1.5
119.05041	1.2
121.03036	0.5
123.00898	4.7
123.04609	0.5
124.01667	0.6
125.02468	3.9
129.03418	1.3
131.01421	2.2
132.02219	1.2
133.02966	4.0
135.04572	0.7
143.01425	3.5
145.02969	12.0
147.00948	2.2
147.04492	2.4
149.02470	1.2
157.03008	2.8
159.00903	3.2
159.04556	1.1
160.01677	1.9
161.02444	9.3
163.00417	1.7
163.04021	3.4
166.99887	2.0
169.01443	3.4
171.00897	6.7
171.04475	0.9
172.01645	2.0
173.02437	8.6
174.03053	0.9
175.00414	0.8
175.04054	2.0
176.01161	0.7
177.01942	3.3
178.99870	0.8
179.03539	1.4
185.02544	3.1
187.00380	11.0
188.01115	2.6
189.01955	11.3
190.02686	2.3
190.99899	0.9
191.03517	3.4
192.00655	0.8
195.04544	0.7
197.05988	0.5
199.00397	5.0
200.01140	2.5
201.01958	11.2
203.00058	1.1
203.03577	2.7
205.01572	0.9
213.01936	1.0
214.99870	14.7
215.03238	0.6
216.00600	3.7
217.01431	15.7
218.02084	1.1
219.03017	1.3
226.99872	6.4
228.00697	3.0
229.01433	10.3
229.38562	0.5
230.01920	1.2
230.99390	1.4
231.02940	3.8
232.00226	1.0
233.00951	1.7
239.03642	0.6
242.99361	22.7
243.03050	0.9
244.00078	3.8
245.00923	26.9
246.01445	2.5
247.02457	9.0
248.03088	0.8
249.03998	1.3
254.99283	2.8
257.00879	4.3
258.98822	1.6
259.99667	2.9
261.00397	6.6
263.01840	0.8
267.02948	1.1
267.65475	0.6
270.98865	72.0
271.99268	6.5
273.00430	51.3
274.01019	3.8
275.01971	8.8
281.04636	0.6
283.02582	0.7
283.99670	1.5
286.98352	6.3
287.99091	0.6
288.99878	3.7
290.00339	0.9
291.01416	4.8
295.02399	0.7
297.97552	0.7
298.98352	100.0
299.99002	18.5
300.02475	1.2
300.99905	56.0
302.00150	3.5
302.98111	0.6
303.01498	1.6
305.03128	0.7
314.97827	0.8
315.01437	0.6
316.99405	9.8
317.99661	1.2
331.01001	1.1
332.98935	0.6
343.00839	0.8
349.01947	1.9
386.25171	0.6
399.03680	1.3
425.01279	0.7
426.66586	0.6
433.03702	0.8
443.02481	1.7
461.03537	1.6
595.03320	3.0
640.04523	0.6
715.00989	0.7
727.02167	0.6
733.04565	0.8
743.00763	0.7
745.02740	1.9
841.04779	0.7
885.04352	2.5
895.01227	0.7
903.04749	1.3
913.04388	4.8
931.05347	0.7
944.06494	0.6
945.05164	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	963.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01921	0.8
68.21662	0.7
75.02426	0.8
80.72530	0.6
95.01395	2.5
97.02895	0.8
98.22153	6.0
103.01929	0.8
105.03512	0.8
107.01374	0.7
109.02975	0.6
115.01915	0.9
117.03485	3.1
119.01358	1.1
119.05057	1.2
123.00905	5.0
125.02433	2.4
129.03484	1.8
131.01402	2.3
131.05122	0.7
133.02956	3.3
143.01392	2.9
143.62587	0.6
145.02959	9.7
147.00874	2.4
147.04527	2.0
148.01680	0.8
149.02449	1.6
151.00267	0.8
154.35622	0.7
157.02972	2.5
159.00864	3.1
159.04530	1.5
160.01602	1.0
161.02460	9.4
162.03111	1.4
163.00389	1.5
163.04021	4.1
166.99875	2.8
169.01396	2.5
171.00888	6.2
172.01605	1.5
172.82607	0.7
173.02475	9.1
174.03191	1.0
175.00314	1.5
175.04027	2.5
176.01219	1.3
177.01918	3.3
178.99841	1.8
184.01692	0.7
185.02444	3.8
187.00380	8.6
187.03993	0.9
188.01083	1.6
189.01932	9.6
190.02711	4.7
190.99847	1.4
191.03485	4.1
199.00360	4.4
200.01143	4.4
201.01950	10.6
202.02394	0.9
202.99780	1.1
203.03468	3.1
205.01393	2.0
213.01935	0.8
214.99886	12.8
216.00633	4.3
217.01424	13.1
218.02025	2.0
218.99397	1.0
219.03001	1.8
226.99883	5.9
227.03535	1.1
228.00630	2.7
229.01419	12.3
230.02164	1.9
230.99365	0.9
231.02965	4.2
233.00955	1.6
235.02318	0.8
242.99355	21.8
243.03061	0.9
244.00050	4.6
245.00940	19.7
246.01395	1.5
247.02475	7.8
248.02924	0.8
249.04111	1.3
254.99350	3.6
255.02933	0.8
257.00980	5.3
258.01694	1.2
258.98825	1.4
259.99631	3.2
261.00427	5.8
263.02097	0.9
270.98859	65.1
271.99316	6.2
273.00433	46.2
273.02695	1.1
274.00909	4.2
275.02005	11.8
283.02359	0.8
283.99646	2.3
286.98340	4.1
287.01810	1.5
288.99927	2.9
291.01376	3.5
298.98358	100.0
299.98950	18.4
300.99921	69.3
302.00177	5.2
303.01468	4.1
305.03107	2.3
315.01672	0.9
316.99402	11.5
317.99762	1.2
321.02499	1.1
331.00964	3.1
347.00494	1.1
349.01950	5.8
383.04083	0.8
387.03656	0.7
399.03494	1.5
425.01749	0.8
427.03165	1.2
433.04318	1.0
443.02628	1.5
461.03787	1.5
491.82883	0.8
493.06519	0.9
595.03772	2.8
601.04614	1.0
684.00183	0.8
727.02173	0.9
745.03534	1.8
746.02734	0.7
777.06506	1.2
822.51691	0.9
885.03766	1.4
895.02606	1.3
913.03931	4.9
914.04047	1.5
945.05762	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	963.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88722	0.7
68.99622	1.7
69.00041	4.9
71.01366	1.0
78.60493	0.6
80.04345	0.6
81.42557	0.6
87.08652	0.6
96.96027	2.2
112.54661	0.6
117.03499	0.8
123.00911	0.7
125.02443	0.9
135.04602	0.9
145.03006	1.5
147.04504	1.5
157.02989	1.1
159.04561	1.0
161.02467	0.9
163.03983	1.2
165.77690	0.6
169.01372	0.6
173.02463	3.6
175.03986	2.4
179.03683	0.7
185.02423	4.3
187.04085	0.7
189.01791	1.2
191.03484	2.2
201.01971	5.8
203.03549	4.6
205.01514	0.7
209.32779	0.6
213.01949	1.5
217.01422	2.9
219.02971	1.4
229.01457	10.5
230.01933	1.3
231.03006	3.6
245.00986	4.2
247.02496	4.3
248.02950	0.7
249.04131	1.3
257.00925	13.6
258.01700	3.1
273.00500	3.3
274.01062	1.4
275.01996	52.4
276.02341	4.5
283.99664	2.2
299.98990	1.5
300.99933	100.0
302.00253	8.0
325.07443	0.6
361.01984	0.7
421.04343	4.3
479.04596	1.0
480.05057	1.0
481.06271	57.5
482.06665	8.4
616.93970	0.7
653.97906	0.7
969.81421	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	963.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47240	0.5
71.25986	0.5
71.26334	0.7
74.47917	0.5
79.14963	0.5
96.96014	1.0
117.03492	0.5
123.00941	0.5
125.02401	0.6
145.02963	2.8
147.04501	1.1
157.02972	1.0
159.04555	1.0
161.02531	1.0
163.04028	1.6
173.02467	3.3
175.04021	1.7
177.02010	0.7
181.58812	0.5
185.02432	4.1
187.03873	0.6
189.01923	1.7
190.02654	0.7
191.03554	2.3
201.01973	5.8
202.02472	0.9
203.03503	5.3
205.01437	0.6
213.01950	2.0
217.01433	2.0
218.02094	0.6
219.03011	2.0
226.99841	0.6
229.01414	11.8
230.01956	1.4
231.02931	3.0
245.00945	5.7
247.02458	5.6
249.04021	2.1
257.00940	15.8
258.01672	3.9
273.00510	3.2
274.01202	1.5
275.02002	55.3
276.02295	4.4
283.99612	2.1
299.99216	1.7
300.99924	100.0
302.00296	8.3
323.41531	0.7
357.84689	0.5
361.02209	1.4
377.04749	0.6
394.08710	0.5
421.04077	4.3
455.46765	0.6
481.06271	60.6
482.06641	6.9
652.61237	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	963.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67289	0.5
71.01378	1.1
96.95992	0.6
106.41666	0.5
117.03450	0.9
123.00858	0.7
123.79105	0.6
125.02427	0.8
129.03513	0.8
145.02943	2.1
147.04518	1.3
157.02917	0.9
159.04517	1.1
161.02385	0.7
163.04036	1.1
173.02460	3.7
175.04022	1.9
177.01988	0.7
179.03484	0.7
185.02432	3.2
189.01930	2.0
190.02660	0.7
191.03545	2.6
193.01428	0.5
201.01958	5.1
203.03517	6.1
213.01932	1.5
217.01416	1.9
219.03015	2.1
229.01430	12.2
230.01752	0.9
231.02998	3.9
245.00951	4.2
246.01276	0.6
247.02475	5.7
249.04095	1.8
257.00934	12.5
258.01645	4.0
273.00482	3.6
274.01166	1.5
275.01999	60.2
276.02271	4.2
283.99704	2.0
299.99011	0.9
300.99921	100.0
302.00229	7.9
332.69260	0.5
361.02231	0.7
391.02954	0.8
421.04343	3.7
453.06512	0.7
481.06293	62.5
482.06619	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	963.133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.2
69.21001	6.4
71.01375	3.6
85.02940	1.1
95.01396	12.2
96.96014	0.9
107.01386	1.8
111.00883	1.3
117.03466	2.6
119.05050	2.5
121.02964	12.9
123.00891	26.2
124.01187	1.1
125.02462	13.3
129.03471	2.6
131.05078	0.9
133.02971	1.4
135.04572	1.5
137.02446	1.8
139.00403	2.9
141.01907	1.4
145.02968	9.1
147.04517	4.9
153.05582	8.8
157.02943	4.8
159.04523	1.0
161.02478	5.3
163.00377	2.6
163.04016	3.7
165.01949	1.6
166.99864	8.8
169.01422	10.1
171.00827	1.3
173.02477	8.5
174.03006	1.1
175.04012	6.8
177.01955	3.1
179.03470	1.2
182.02211	1.1
185.02464	2.1
187.00473	1.2
189.01976	3.6
190.02725	1.5
190.99846	1.2
191.03522	12.1
197.04556	27.0
199.00317	2.7
200.01067	2.6
201.01978	12.8
203.03532	6.5
209.00865	3.0
216.00528	1.1
217.01399	6.2
219.03047	6.9
226.99857	3.7
229.01411	12.6
230.02022	2.9
231.02991	6.4
235.02391	2.0
242.99298	3.1
245.00937	7.4
247.02486	27.6
257.01004	1.9
263.01904	5.3
270.98862	3.2
273.00433	15.4
274.00955	1.1
275.01950	4.3
291.01309	5.9
298.98322	7.7
299.99011	3.6
300.99899	12.1
313.05725	2.4
316.99307	1.9
317.03183	1.2
335.00427	3.6
403.03342	1.1
443.02679	1.5
453.95319	1.2
461.03482	2.1
509.43192	1.1
547.20221	1.1
587.07074	5.1
596.95642	1.1
603.06665	7.8
605.07971	1.4
613.04724	100.0
614.05194	16.1
631.05798	47.4
632.06256	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	963.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	1.4
71.01379	5.2
79.01891	2.5
85.02950	2.6
95.01409	10.2
96.96001	1.5
98.22622	2.3
107.01414	3.0
117.03461	3.2
117.51264	1.4
119.05048	1.5
121.02961	10.9
123.00895	25.9
125.02450	23.5
129.03453	2.1
129.32539	1.2
132.57959	1.3
133.02936	2.8
135.04604	2.0
137.02417	2.2
139.00412	2.5
145.02971	7.7
147.04510	4.9
149.02522	1.9
153.05602	7.6
154.20564	1.2
157.02945	6.7
161.02460	7.6
163.00366	3.4
163.04025	6.7
164.01054	1.8
165.01910	3.0
166.99887	12.2
169.01454	18.6
171.00912	3.1
173.02451	10.2
175.04039	7.4
177.01927	3.5
179.03522	2.4
185.02419	2.6
189.01971	6.3
190.02771	2.4
190.99884	1.4
191.01933	2.3
191.03493	17.2
192.00702	1.3
193.01392	1.5
197.04558	24.3
199.00267	2.4
200.01218	2.8
201.01924	14.8
203.03522	8.2
207.47060	1.2
209.00954	3.2
214.02817	1.5
217.01517	8.2
219.03020	7.2
226.99817	4.9
228.00639	1.5
228.82831	1.8
229.01405	14.4
230.02075	3.4
231.03041	6.2
235.02458	2.9
242.99332	2.1
245.00880	9.9
247.02463	31.3
248.02750	2.0
257.00955	3.9
263.01962	4.4
270.98828	6.2
271.99615	1.5
273.00421	24.7
274.00845	1.9
275.01990	5.6
291.01553	6.8
298.96167	1.0
298.98407	11.2
299.99075	3.9
300.99847	18.3
301.99966	1.9
313.05939	2.0
335.00470	3.9
342.72559	1.4
417.04453	4.2
443.02512	2.8
445.04169	2.8
461.03601	3.0
462.03192	1.4
463.05042	2.6
465.06967	1.5
537.77588	1.8
587.06769	4.3
603.06140	5.8
605.07880	2.3
613.04742	100.0
614.04974	18.0
631.05786	54.1
632.06348	8.1
635.08661	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	963.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.6
69.19248	5.7
69.19669	5.8
75.77142	1.6
81.03471	2.4
83.01411	2.4
97.02917	1.9
107.01392	2.5
109.02966	5.5
123.04521	4.2
125.02465	73.7
126.02795	3.0
137.02448	7.2
139.04059	1.9
145.02991	1.8
145.35719	1.3
151.03999	5.7
152.70877	1.5
159.04631	1.9
160.05299	1.7
161.02527	1.8
165.01888	2.7
166.99881	2.2
167.03577	1.4
169.01445	100.0
170.01776	4.3
177.01949	1.7
179.03508	1.9
193.01434	3.8
203.07095	4.3
205.05112	3.9
245.08263	6.1
253.05080	1.9
271.06085	5.6
278.55646	1.5
289.07214	38.0
290.07510	3.3
303.05206	2.9
429.36691	1.8
437.64832	1.7
441.08298	45.5
442.08490	6.0
811.28772	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	963.6873
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	7.0
83.05034	15.1
83.34946	0.3
84.05373	0.4
96.96020	0.3
98.22527	1.2
100.07746	0.3
107.06180	0.4
108.04588	0.6
125.02472	1.3
125.07220	0.9
141.00688	0.3
143.08267	0.5
149.09727	0.3
169.01469	1.3
207.15063	1.7
217.01460	0.3
224.17673	2.4
225.16084	11.2
225.18285	0.7
226.04298	0.3
229.14253	0.4
229.16251	0.6
242.18845	0.5
270.98877	0.6
273.00500	0.5
275.01996	0.5
290.22357	0.4
290.36029	0.3
298.98309	0.5
300.99985	3.4
302.00357	0.5
309.21909	1.1
317.73035	0.3
324.26718	0.6
333.22961	0.4
341.29248	1.1
367.27234	0.7
407.34167	0.4
433.31918	1.6
450.34747	1.2
451.32947	7.0
452.33362	0.6
535.39600	0.4
550.43719	0.4
567.46149	0.8
593.44067	0.6
677.49835	1.6
694.91888	0.3
882.10291	0.4
903.66608	100.0
904.66913	28.1
946.11298	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	965.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11524	0.4
69.11839	3.7
73.24567	0.4
79.93380	0.4
93.03465	0.6
95.01376	1.5
96.95999	0.4
105.03448	0.4
107.01369	0.5
109.02923	0.7
117.03479	1.8
119.05049	0.7
121.02941	0.6
123.00873	2.0
124.01664	0.5
125.02464	7.1
129.03534	0.7
133.02945	1.7
137.02441	1.2
145.02968	4.0
147.04485	1.4
150.03192	0.4
157.02905	1.4
159.00826	0.6
159.04567	0.8
160.01695	0.8
161.02460	3.8
163.00362	0.6
163.04005	1.8
165.01917	0.6
166.99806	0.8
169.01471	4.9
169.02852	0.7
171.00865	1.4
173.02507	4.0
174.03142	0.6
175.04028	1.6
177.01947	1.9
185.02487	3.0
187.00305	1.3
188.01337	0.6
189.01982	3.8
190.02684	1.7
191.03464	2.0
193.01521	0.4
200.01257	0.4
201.01953	5.3
203.03484	1.6
205.01376	0.8
213.01831	0.5
214.99820	1.3
215.03606	0.5
216.00549	0.5
217.01448	5.7
219.02925	1.0
226.99948	1.2
228.00613	0.8
229.01457	6.2
231.03018	1.6
242.99344	2.6
243.02943	0.9
244.00137	2.0
245.00955	9.4
246.01550	0.9
247.02481	1.9
249.04074	1.9
254.99432	0.8
257.00977	3.9
258.01520	0.8
259.99649	0.5
261.00528	1.0
270.98889	8.5
271.99500	0.9
273.00449	14.1
274.00961	1.3
275.01996	8.7
276.02292	0.8
277.03571	0.6
279.25989	0.5
283.99652	1.7
285.00360	0.4
287.02036	0.7
287.05368	0.4
288.99951	0.6
291.01556	1.1
298.98367	10.3
299.99112	6.2
300.02411	0.6
300.99921	100.0
302.00220	6.1
303.01508	0.4
305.02811	0.6
316.99405	1.8
331.01025	0.6
349.02075	1.8
417.04230	0.5
433.04074	0.8
445.04144	1.2
461.03687	2.1
463.05185	1.3
493.06305	0.8
551.79834	0.5
613.04901	1.2
765.05536	0.5
933.06512	5.8
934.06775	1.0
965.09033	3.6
966.08203	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	965.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04106	0.4
89.03983	0.4
95.01417	0.9
116.46140	0.4
117.03468	1.6
119.05000	0.4
121.85732	0.5
123.00932	1.9
125.02467	2.9
129.03545	0.5
133.02977	1.3
145.02986	4.1
147.00899	0.6
147.04529	1.3
157.02954	1.4
159.04489	0.9
160.01709	0.6
161.02458	4.1
163.00433	0.6
163.03978	1.4
166.99832	1.2
169.01443	3.7
171.00945	0.8
172.01747	0.6
173.02475	3.4
175.00488	0.4
175.04034	1.1
177.01930	1.0
178.99849	0.9
185.02461	2.9
187.00360	1.3
187.03943	0.6
189.01959	4.5
190.02690	2.3
191.03526	1.9
199.00409	0.7
199.03963	0.4
200.01141	0.8
201.01939	4.7
202.02859	0.4
203.03508	2.3
213.01985	0.7
214.99857	1.4
216.00606	1.3
217.01416	5.9
218.02199	0.9
219.03011	0.9
226.99850	1.0
227.03461	0.4
228.00761	1.0
229.01424	7.5
230.01959	0.8
230.15840	0.5
231.02972	1.3
233.00949	0.8
242.99287	2.3
244.00075	1.6
245.00935	8.6
246.01486	1.2
247.02477	2.1
249.04048	1.7
254.99319	0.7
257.00891	3.5
258.01645	0.8
259.02408	0.6
261.00363	1.3
270.98889	7.8
271.99530	1.6
273.00443	12.0
274.01047	2.0
275.02014	8.1
277.03638	0.5
283.99780	2.9
287.01920	0.9
288.99991	0.6
291.01425	1.0
298.98355	9.4
299.99084	6.0
300.99924	100.0
302.00272	7.9
303.01440	1.2
305.03101	1.3
316.99438	1.7
319.01044	0.6
321.47031	0.4
331.00952	1.5
343.01135	0.5
349.01984	2.6
405.04620	0.4
417.04718	0.6
433.04364	0.5
443.02554	0.9
445.04126	2.0
461.03607	2.6
463.05392	2.8
483.48862	0.4
493.06375	0.7
613.04749	1.6
615.06653	0.5
631.04730	0.7
711.23352	0.6
765.06506	0.7
933.06409	8.5
934.06842	1.5
965.09100	4.5
966.08856	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	965.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
80.70044	0.4
87.71578	0.4
95.01390	1.8
98.21909	2.1
98.22598	0.9
99.55543	0.4
105.03413	0.4
107.01376	1.1
117.03468	1.8
119.05052	0.5
123.00911	2.0
125.02475	3.1
129.03490	0.6
131.01411	0.7
133.02982	2.0
135.04535	0.5
143.01431	0.4
145.02966	5.9
147.00931	0.4
147.04532	1.9
149.02469	0.4
151.00311	0.5
153.89186	0.4
155.01355	0.4
157.02963	1.4
159.00887	1.2
159.04501	0.4
160.01689	0.9
161.02495	3.7
162.03044	0.4
163.00371	1.0
163.03984	2.4
165.02007	0.5
166.99831	0.9
169.01460	5.1
171.00853	1.9
172.01703	1.2
173.02437	5.4
174.03012	0.4
175.04024	1.3
177.01941	1.1
179.03598	0.4
185.02451	3.3
187.00378	1.5
187.04039	0.5
188.01207	0.6
189.01944	4.5
190.02705	1.9
190.99905	0.5
191.03525	3.0
199.00417	1.2
200.01157	1.1
201.01941	7.0
203.03542	2.6
203.90013	0.4
205.01486	0.9
213.01968	1.1
214.99873	1.9
215.03383	0.4
216.00597	1.2
217.01454	7.3
218.01918	0.5
219.02971	1.4
226.99867	1.5
228.00595	1.2
229.01436	8.9
230.02061	1.0
231.02901	2.7
233.00909	0.8
242.99370	2.7
244.00020	1.8
245.00928	13.4
246.01398	1.3
247.02460	4.4
249.04031	2.3
254.99345	0.9
257.00964	5.4
258.01630	1.6
261.00354	2.0
270.98868	8.7
271.01575	0.8
271.99527	1.9
273.00424	19.8
274.00989	2.5
275.01999	13.0
276.02249	1.0
283.99579	2.7
287.01999	0.4
291.01474	1.6
298.95023	0.8
298.98373	12.6
299.99063	7.1
300.99921	100.0
302.00287	7.7
303.01367	0.4
305.03085	0.5
316.99307	1.8
331.00803	0.9
343.01086	0.7
349.01981	1.3
417.04556	0.4
445.04205	1.1
453.99478	0.5
461.03726	0.6
463.05243	1.1
493.06436	0.7
595.04059	0.4
613.04797	0.9
615.06201	0.5
626.79480	0.4
627.86530	0.4
752.14539	0.4
765.06122	0.5
777.35205	0.4
897.04364	1.3
915.04968	2.0
933.06714	1.7
947.07483	0.5
965.08954	4.4
966.09387	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	966.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20902	43.0
81.03490	4.5
83.05048	10.8
98.22384	15.9
108.13075	4.9
123.00907	11.5
125.02486	16.7
128.03604	7.4
169.01443	14.9
173.02394	6.6
177.00192	5.0
189.01938	6.0
191.03403	6.4
201.02002	11.8
203.03488	10.8
207.15239	5.3
217.01396	7.9
229.01422	12.1
245.00868	9.1
247.02501	9.3
266.02222	6.3
270.98834	20.5
273.00543	14.4
274.00793	5.4
275.02054	17.8
281.79425	5.3
298.98297	20.7
299.98874	18.2
300.99911	100.0
302.00336	17.3
306.07745	16.6
642.61688	5.5
783.09766	7.1
905.66986	11.1
906.67651	52.6
935.08612	9.7
966.66534	66.3
967.65961	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90649	0.8
69.39230	4.5
85.73927	0.8
106.09868	0.7
107.01418	1.3
123.00867	2.3
125.02463	7.7
133.02988	2.2
145.02953	5.5
147.04521	1.2
151.00397	1.0
157.02965	0.8
159.00993	0.9
159.04536	1.3
161.02458	2.8
163.04002	2.7
169.01431	9.8
171.00887	2.0
173.02440	5.4
175.04044	2.2
177.01924	1.0
185.02522	3.8
187.00298	1.9
188.01083	0.8
189.01941	5.9
190.02718	1.6
191.03444	3.4
199.00328	1.3
200.01122	1.6
201.01950	7.3
203.03510	4.1
213.01920	1.2
214.99854	3.1
216.00610	1.9
217.01431	8.8
218.02049	1.1
219.02960	2.2
226.99826	1.4
228.00560	1.1
229.01427	8.0
230.01996	1.1
231.02948	2.8
242.99356	4.2
244.00021	1.3
245.00931	12.2
246.01465	1.3
247.02524	7.9
249.04054	1.5
254.99380	1.4
257.00928	6.0
258.01385	1.6
259.02176	1.2
261.00381	2.0
270.98880	16.6
271.99454	2.5
273.00421	23.4
274.00861	1.5
275.02008	12.8
276.02338	1.6
283.99655	2.7
286.98242	1.4
291.01483	3.5
298.98337	27.9
299.98996	8.6
300.99918	100.0
301.47275	1.0
301.97107	1.4
302.00262	9.7
303.00531	1.1
309.43185	0.8
316.99435	3.9
343.00977	1.1
461.03366	1.5
463.05219	3.9
493.06171	1.2
544.09583	1.0
578.68707	1.0
617.07733	3.5
913.03180	3.7
931.05457	1.2
935.08154	3.8
953.76917	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	967.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21166	1.9
69.21574	6.0
71.71629	0.9
95.01403	3.5
97.02966	1.5
100.23883	0.8
101.54462	0.9
105.03469	1.5
107.01424	1.9
109.02966	0.9
113.02470	1.1
115.00416	1.1
117.03491	3.5
119.05009	1.4
121.02968	1.0
123.00914	4.6
125.02467	14.1
131.01520	1.2
133.02966	3.1
135.04510	2.3
137.02454	3.3
141.01828	1.0
145.02969	9.7
147.00916	1.1
147.04527	4.0
149.02454	2.6
151.00317	1.1
157.02963	2.3
159.00917	1.6
159.04514	2.5
160.01645	1.1
161.02470	8.3
163.00365	1.3
163.04036	5.4
165.02000	1.3
166.99881	1.4
169.01450	16.3
171.00909	1.6
172.01665	0.9
173.02478	10.0
175.04054	5.3
177.01836	2.0
177.05644	1.1
185.02431	3.6
187.00374	2.6
189.01962	11.4
190.02718	4.2
191.03532	9.8
192.00832	1.1
192.03917	1.0
193.01447	2.6
199.00374	1.2
200.01102	1.8
201.01959	8.6
203.03508	6.3
204.03842	1.2
205.01443	2.5
213.01944	1.4
214.99814	2.5
216.00552	3.3
217.01474	14.7
218.01976	2.6
219.03029	5.0
221.04594	1.8
226.99869	2.7
227.07391	0.9
228.00597	1.6
229.01454	11.7
230.02060	2.0
231.03009	4.3
231.87172	1.0
235.02403	1.5
237.00362	1.1
242.99327	4.7
244.00153	5.0
245.00931	24.3
246.01398	2.3
246.05267	1.0
247.02515	28.9
248.02879	2.1
249.04019	2.5
254.99449	1.1
257.00897	5.7
261.00436	2.6
261.04037	1.0
263.01947	1.5
270.98868	14.9
271.99399	2.9
273.00433	56.5
274.00848	5.4
275.01965	15.0
276.02353	2.1
277.03165	1.4
283.99677	2.9
288.99963	1.4
291.01483	10.5
295.04868	1.0
298.98380	21.0
299.99026	10.2
300.99924	100.0
302.00275	11.7
303.00546	2.7
313.05566	1.4
316.99445	5.6
349.02032	2.6
351.03644	1.2
417.04852	2.5
435.05679	1.7
463.05591	1.9
465.06589	2.0
587.06763	2.5
617.07861	9.6
618.07849	1.3
633.08057	1.2
709.06110	1.1
739.07642	3.7
797.08105	1.3
877.08374	1.1
891.09119	2.2
913.03796	1.9
935.07654	3.4
967.09406	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	967.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.4
69.03730	1.3
69.04123	6.9
95.01403	4.3
97.02963	1.8
101.95937	0.8
107.01409	3.7
111.00919	1.3
113.02470	1.0
117.03500	2.6
118.14159	1.0
119.05051	0.9
121.02996	1.3
123.00902	9.6
125.02464	32.7
126.02768	1.5
129.03468	1.3
133.02968	5.9
135.04549	1.2
136.98860	0.9
139.00362	2.8
140.01111	1.5
141.01927	1.6
145.02994	8.9
147.00902	1.1
147.04523	2.1
149.02446	3.2
151.00352	2.4
151.04031	0.9
157.02948	1.0
159.00932	1.0
160.01674	1.0
161.02460	7.8
163.04041	3.1
166.99893	4.9
168.00653	2.0
169.01453	40.4
170.01799	1.5
171.00934	1.6
173.02472	8.5
175.04044	3.0
177.01935	1.6
178.99782	1.0
179.03606	0.8
187.00407	1.3
189.01950	16.6
190.02629	2.0
191.03517	2.9
193.01376	1.7
200.01192	1.0
201.01979	5.8
203.03528	2.7
205.01408	2.3
214.99971	1.7
216.00618	5.9
217.01427	18.8
218.01883	1.1
219.02985	2.9
221.00885	1.0
228.00523	1.9
229.01408	3.5
231.03033	2.7
233.00844	0.9
235.02452	1.0
242.99437	3.8
244.00166	9.4
245.00929	39.3
246.01524	3.3
247.02477	16.4
249.04193	1.4
257.00937	2.0
261.00500	1.3
270.98871	12.4
271.99539	3.9
273.00433	100.0
274.00827	8.0
275.01959	3.7
277.03525	2.6
279.39273	0.9
288.99802	1.1
290.00714	2.6
291.01492	14.4
292.01834	1.1
295.04669	2.7
298.98404	14.1
299.99115	4.4
300.99896	16.0
302.00363	1.4
305.03064	1.6
313.05765	4.6
316.99426	5.0
321.02576	1.0
349.02097	3.2
417.04596	5.3
447.05734	1.8
461.54132	0.9
465.06857	8.9
466.06943	1.3
569.05566	1.8
587.06622	4.2
617.07849	31.3
618.08484	5.7
633.07251	1.9
703.43530	1.0
739.07715	10.7
740.08405	2.5
891.08868	5.3
892.08667	2.0
935.06866	2.1
967.10065	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	967.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01388	0.9
101.41626	0.3
109.02972	0.3
117.03463	0.8
119.05029	0.6
121.02970	0.6
123.00889	1.7
125.02458	5.1
129.03476	0.8
133.02950	0.7
135.04538	0.3
137.02460	0.4
145.02951	2.6
147.04539	1.9
149.02438	0.7
150.03223	0.3
157.02956	1.0
158.03680	0.3
159.04532	0.9
160.01724	0.3
161.02478	1.4
163.00403	0.6
163.04007	1.6
165.01848	0.4
169.01436	4.5
172.01611	0.3
173.02464	3.2
174.03116	0.5
175.04050	1.7
177.01987	1.4
185.02461	3.8
185.03969	0.5
187.00343	0.3
187.03992	0.4
189.01959	1.9
190.02681	0.9
190.99837	0.5
191.03514	2.4
193.01367	0.6
199.03903	0.3
200.01096	0.6
201.01962	5.2
202.02548	0.3
203.03534	3.7
205.01297	0.4
213.01965	0.8
214.99786	0.3
216.00653	0.5
216.04121	0.3
217.01430	2.4
218.02020	0.4
219.03052	1.3
226.99911	0.7
227.03517	0.3
228.00633	0.4
229.01436	9.1
230.01894	0.9
231.02989	3.2
232.03259	0.5
243.02878	0.4
244.00215	0.5
245.00922	5.9
245.04593	0.3
246.01370	0.7
247.02473	2.6
248.03195	0.3
249.03944	1.9
255.02975	0.3
257.00922	7.3
258.01581	1.9
259.02271	0.3
261.00348	0.3
270.98889	0.5
271.02499	0.3
271.99478	0.4
273.00439	4.0
274.01111	1.9
275.01999	20.6
276.02393	1.2
282.99133	0.4
283.99625	3.4
285.00436	0.4
285.03394	0.3
291.01526	0.7
298.98477	0.5
299.99115	6.6
300.99915	100.0
302.00275	8.1
303.00571	0.7
303.04889	0.4
306.08286	0.3
313.03430	0.4
314.00726	0.5
315.01471	1.1
319.00888	0.6
341.02823	0.3
343.00900	1.5
385.01770	0.2
419.05988	0.3
419.34354	0.3
445.03983	0.4
463.05270	5.9
464.05609	0.6
615.06488	0.8
633.07288	1.0
756.22009	0.3
765.06360	1.8
766.06586	0.4
935.07990	13.1
936.08337	3.7
967.10052	1.0
968.09424	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	967.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04830	5.2
71.83562	0.7
79.01907	1.1
85.29432	0.7
95.01397	5.0
97.02976	0.7
101.92534	0.7
107.01398	3.9
111.00887	1.0
113.02463	1.3
117.03430	1.3
123.00897	9.2
124.01665	1.0
125.02464	22.6
129.03473	1.1
133.03023	1.4
135.04459	1.3
137.02448	1.6
139.00381	1.6
140.01131	1.5
145.02975	5.6
147.00906	1.2
147.04546	1.5
149.02444	1.3
151.00371	1.0
157.02975	1.1
159.04498	1.0
161.02484	3.8
162.03285	1.0
163.00378	1.4
163.04036	3.1
164.01163	1.0
166.99924	3.7
168.00629	2.0
169.01447	22.1
171.00864	1.1
172.01765	1.1
173.02536	4.6
174.03172	1.2
175.03992	2.7
176.01230	1.0
177.01947	2.5
178.99904	1.4
185.02492	2.6
187.00403	1.6
187.04070	0.8
189.01976	6.1
190.02719	3.2
190.99867	1.1
191.03528	4.8
192.00710	0.8
193.01413	2.3
194.99393	1.0
199.00403	1.2
200.01184	1.4
201.01933	6.0
202.02402	1.1
203.03511	3.0
205.01364	1.2
206.02232	0.8
207.03018	0.8
209.00824	0.9
214.02750	0.9
214.99849	2.5
215.03447	0.8
216.00470	1.4
217.01462	7.7
218.02182	0.8
219.03008	2.0
226.99910	1.5
228.00729	1.7
229.01465	9.4
230.02090	2.0
231.03040	3.9
235.02527	1.4
242.99356	5.1
243.03040	1.0
244.00027	2.0
245.00891	8.8
246.01453	1.7
247.02524	8.0
249.04100	1.7
254.99283	1.1
257.01016	4.5
261.00430	2.0
261.04092	1.1
264.51425	0.8
270.98862	16.7
271.99445	2.9
273.00415	13.9
274.00839	1.3
275.01932	5.8
276.02383	0.9
277.03671	1.4
283.99692	2.4
291.01434	2.4
298.98395	27.9
299.99069	9.2
300.99936	100.0
302.00287	8.1
303.01242	0.8
305.03012	2.7
308.68863	0.9
313.05722	3.9
316.99319	1.4
331.01151	1.5
349.02100	2.4
442.46924	0.9
465.06802	16.4
466.07022	1.6
488.67426	0.8
493.06375	2.0
542.50104	0.7
617.07367	1.7
645.07574	1.5
709.07281	1.8
737.06104	1.0
739.07507	0.9
747.04144	1.9
749.06464	13.4
750.06787	2.0
753.08282	1.0
765.06317	3.3
766.05536	0.8
767.07526	11.8
768.07928	1.4
792.48993	0.9
797.08630	5.5
815.08881	1.1
907.08282	1.0
917.06238	2.6
918.07336	1.0
935.08038	7.8
936.08191	1.7
967.09625	1.8
983.57617	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	967.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39552	0.3
71.18410	0.3
77.83943	0.3
85.43645	0.3
95.01396	0.9
98.21729	0.7
105.11002	0.3
110.22056	0.3
117.03475	1.0
119.05003	0.9
121.02934	0.3
123.00917	1.5
125.02463	3.0
125.83482	0.3
125.84370	0.3
129.03485	0.5
133.02979	1.3
135.04550	0.4
135.91399	0.3
137.02463	0.4
145.02982	2.9
147.03493	0.3
147.04453	1.5
149.02501	0.5
157.02948	0.9
159.04494	0.9
161.02461	2.3
163.00354	0.4
163.04059	1.9
165.01926	0.4
169.01479	3.1
171.00839	0.4
173.02437	3.7
174.03120	0.4
175.04062	1.9
176.01149	0.5
177.01907	0.8
185.02457	3.0
186.02940	0.3
187.00349	0.5
189.01909	2.9
190.02657	1.1
190.99884	0.4
191.03519	2.7
200.01178	0.7
201.01971	5.0
202.02541	0.7
203.03549	3.0
205.01442	0.9
213.01976	1.1
214.02776	0.5
215.98421	0.3
216.00566	1.0
217.01421	4.0
218.01968	0.7
219.03018	1.5
226.99864	0.6
228.00659	0.5
229.01456	8.9
230.01990	1.1
231.03033	2.9
242.99356	1.0
243.03181	0.5
244.00143	0.8
245.00935	6.1
246.01436	1.1
247.02547	4.7
248.03091	0.9
249.04037	2.2
257.00940	6.3
258.01636	1.8
261.00372	0.7
270.98892	2.3
271.02225	0.6
271.99387	0.9
273.00439	5.9
274.01169	2.5
275.02014	20.4
276.02365	1.9
283.99588	2.6
285.00180	0.6
288.99924	0.3
291.01489	1.4
298.98434	2.4
299.99161	7.7
300.99930	100.0
302.00262	9.3
303.00455	1.6
315.01471	1.0
319.00803	0.6
329.02960	0.4
340.35922	0.4
343.01001	1.9
367.41360	0.4
409.84882	0.3
419.06436	0.4
445.04239	0.6
462.99402	0.6
463.05280	6.7
464.05502	0.5
615.06421	0.5
633.07330	0.8
735.04260	0.5
765.05707	2.0
935.07971	14.1
936.08838	3.7
967.09711	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	967.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45641	2.1
80.16718	0.4
81.95360	0.3
89.03954	0.6
91.16006	0.3
95.01392	1.5
105.03459	0.7
109.02964	0.5
111.00909	0.4
116.63735	0.4
117.03477	2.2
119.05040	1.3
121.02968	0.5
123.00910	1.9
125.02439	3.2
129.03503	0.7
131.01373	0.5
133.02943	2.0
135.04521	0.8
135.26108	0.3
143.01367	0.4
145.02982	5.6
146.03325	0.4
147.00809	0.6
147.04552	2.5
149.02409	1.2
157.02939	1.9
158.03633	0.4
159.00853	0.9
159.04535	0.9
160.01689	0.6
161.02480	5.1
163.00371	0.8
163.04024	2.9
165.01944	0.5
166.99905	0.5
169.01447	3.8
170.44466	0.4
171.00899	1.0
172.01576	0.7
173.02455	6.1
174.03044	0.9
175.00302	0.5
175.04031	3.4
177.01947	1.8
179.03551	0.9
185.02457	3.8
187.00354	2.0
187.04039	0.7
189.01958	5.8
190.02684	1.7
190.99799	0.5
191.03520	5.9
193.05000	0.4
199.00403	0.8
200.01154	1.2
201.01955	6.4
202.02487	0.9
202.99957	0.5
203.03500	3.9
205.01448	1.1
211.03999	0.4
213.01871	1.2
214.99902	2.7
216.00638	1.3
217.01433	8.5
218.02040	1.7
219.02962	2.7
221.04601	0.8
222.35170	0.4
226.99818	1.4
227.03503	0.6
228.00529	0.8
229.01456	8.7
230.01970	0.7
230.99498	0.5
231.03073	2.8
231.99881	0.6
233.00888	0.8
241.01480	0.4
242.99332	2.2
243.99995	1.4
245.00928	12.6
246.01511	2.0
247.02490	13.1
248.02948	1.1
249.04080	2.2
254.99358	0.5
255.03154	0.4
257.00937	7.3
258.01547	2.2
259.02432	0.5
259.99640	0.5
261.00385	1.9
263.01862	0.9
270.98883	6.8
271.02170	0.5
271.02698	0.4
271.99329	1.2
273.00439	20.0
274.01010	3.2
275.01968	19.9
276.02283	1.8
283.99692	3.0
286.98624	0.8
288.99963	0.9
291.01443	4.4
298.98373	8.7
299.99124	8.5
300.99918	100.0
302.00275	9.6
303.00452	1.4
315.01483	0.9
316.99393	2.3
319.00836	0.6
343.01019	2.2
419.06271	0.5
435.05573	1.3
463.05270	4.3
464.05069	0.4
587.05988	0.5
633.07642	0.6
689.04022	1.3
707.05377	0.7
717.03418	0.7
719.04956	1.3
735.05469	2.0
736.05591	0.4
737.06464	0.6
753.04993	0.5
765.05505	1.5
853.01208	0.5
903.05365	0.6
904.06299	0.5
905.06433	0.7
934.89569	0.8
935.07782	9.8
936.08765	2.3
967.10364	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	967.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78727	1.3
69.01857	15.4
70.24917	1.4
71.01385	18.6
72.99321	2.3
73.02953	1.8
85.02941	4.3
87.00901	4.1
89.02447	12.5
95.01412	1.9
97.02968	3.2
101.02457	10.9
108.46307	1.5
113.02471	6.9
117.51661	1.4
119.03520	3.8
125.02452	5.8
143.03522	2.6
161.04497	1.8
163.11298	4.7
165.12846	5.6
179.05611	4.5
179.14357	3.4
181.12337	2.3
209.11711	2.0
235.08206	5.9
244.35536	1.3
247.20619	4.6
253.08998	1.9
273.18643	2.2
277.21744	42.1
278.22128	3.0
291.19678	71.9
292.20038	4.6
304.71094	1.6
309.20737	100.0
310.21176	6.8
323.09653	1.7
379.12283	2.5
397.13513	23.4
398.13766	4.0
415.14398	9.4
510.23474	1.5
856.50183	2.0
951.57990	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	969.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43455	1.6
70.43789	0.8
95.01399	1.3
107.01405	0.8
111.48105	0.6
117.03468	1.1
119.05060	0.9
123.00895	2.3
125.02447	5.9
131.05090	0.9
133.02985	1.2
137.02466	1.6
139.13925	0.6
143.01424	0.8
145.02969	5.2
147.04526	1.6
157.02985	1.3
159.00935	1.0
159.04520	1.0
161.02467	2.4
163.00423	1.5
163.04024	2.0
166.99847	1.9
167.03569	0.7
169.01476	5.4
173.02426	4.9
174.02876	1.0
175.03984	2.2
177.01913	1.9
185.02423	3.6
186.02760	1.1
187.00378	1.0
188.01247	0.8
189.01952	5.3
190.02480	1.2
191.03474	3.1
201.01971	5.9
202.02301	1.2
203.03499	3.1
205.01428	1.1
213.02013	0.8
214.99947	1.4
216.00620	1.0
217.01421	6.1
218.01987	1.0
219.03053	1.8
226.99966	2.4
228.00598	1.3
229.01416	8.9
230.01851	2.1
231.02928	2.5
235.02567	0.7
242.99384	3.0
244.00073	1.4
245.00967	9.6
246.01334	2.0
247.02477	5.8
248.02771	1.7
249.04045	2.2
254.99150	0.8
257.00943	5.7
258.01440	2.3
259.01773	0.9
261.00385	2.2
270.98917	6.1
271.99405	1.0
273.00446	13.4
274.00995	2.5
275.02032	15.1
276.02298	3.7
277.02545	1.5
283.99612	2.9
285.00137	1.0
291.01395	1.8
298.98434	10.5
299.99118	9.0
300.99918	100.0
302.00262	21.8
303.00418	8.8
316.99188	1.1
319.01086	1.0
343.01019	1.5
360.44116	0.9
443.02237	1.0
445.04239	3.2
461.03568	3.2
463.05093	3.7
464.05493	1.2
465.05756	0.8
484.63724	0.9
613.04895	1.5
747.04358	1.1
765.05573	1.0
767.06525	1.1
870.73950	0.8
905.06104	1.0
907.07526	1.0
915.06171	1.3
933.06268	3.1
934.07428	1.3
937.08258	7.9
938.07849	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	969.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01406	1.2
117.03465	2.1
123.00918	2.8
125.02461	3.9
145.02959	4.6
147.04550	1.4
157.02937	2.0
159.04547	1.5
161.02425	2.5
163.04013	2.0
166.99876	1.6
169.01448	5.0
173.02429	3.4
175.04027	1.7
177.01949	1.5
185.02409	2.9
187.00417	1.4
189.01953	4.2
190.02649	2.5
191.03444	3.7
193.01443	1.2
199.00455	1.3
201.01973	5.0
203.03487	2.9
205.05141	1.1
217.01472	5.1
219.03020	1.3
226.99834	1.3
229.01379	9.0
230.01750	2.0
231.02934	2.9
242.99217	1.9
245.00914	9.1
246.01428	1.4
247.02481	6.4
249.04002	4.1
257.01004	5.2
258.01587	2.2
270.98886	6.1
271.99261	1.3
273.00439	12.5
274.01071	1.8
275.01996	17.5
276.02325	3.4
277.02512	2.2
283.99615	2.7
291.01498	1.6
298.98370	8.7
299.99060	7.4
300.99933	100.0
302.00262	21.7
303.00467	8.0
316.99213	1.3
433.04123	1.7
445.04221	2.0
461.03586	2.3
463.05154	3.3
465.06055	2.8
477.41898	1.1
613.04602	2.7
765.05621	2.7
767.06598	1.2
786.47595	1.1
847.17883	1.1
902.68994	1.3
907.08704	1.1
915.04639	1.5
933.06189	2.7
934.07007	1.1
937.09564	6.0
948.44104	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	969.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
76.63690	1.2
77.65028	1.4
117.03471	1.5
123.00908	3.8
125.02487	5.0
135.04558	1.8
137.02492	1.9
141.73840	1.3
145.02980	4.5
146.87254	1.5
147.04489	3.7
157.02966	2.5
158.03777	1.3
159.04544	1.4
161.02472	4.1
163.04031	5.9
169.01460	4.6
173.02472	5.6
175.04053	5.2
177.02054	1.8
177.05551	1.7
185.02486	3.5
187.04077	2.2
189.01956	5.5
190.02568	2.3
191.03494	4.4
193.01404	3.3
197.47404	1.2
199.00534	2.0
200.01225	2.4
201.02005	7.5
203.03557	6.2
205.05048	2.3
211.07292	1.3
213.01981	1.7
214.99997	1.4
216.00603	2.9
217.01434	8.3
218.01872	1.9
219.02907	2.6
229.01448	13.3
230.01688	2.0
230.99315	1.7
231.02931	5.2
233.00967	1.7
245.00935	14.5
247.02483	9.3
249.04037	4.8
250.04362	2.0
257.00998	7.2
258.01434	2.8
270.98947	8.7
273.00485	18.7
274.00937	3.8
275.02002	27.2
276.02283	5.8
283.99716	3.4
291.01566	2.5
298.98392	14.5
299.99121	10.5
300.99924	100.0
302.00259	24.6
303.00516	11.9
319.01053	2.3
337.02014	4.9
435.05905	1.7
445.04184	2.5
461.03738	2.0
463.05283	3.0
613.05048	2.2
682.51477	1.6
765.04761	1.5
767.05194	1.7
781.05157	2.3
855.72205	1.5
889.07507	1.9
915.04791	4.2
933.06274	2.0
937.08136	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	969.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19096	0.8
71.01386	1.4
79.89285	0.9
82.20605	0.8
85.02946	1.1
95.01381	1.7
98.21931	4.8
98.22623	1.9
107.01384	1.9
113.02451	1.6
123.00909	5.2
125.02464	18.8
137.02397	1.2
143.00969	0.8
145.02963	2.3
147.04546	1.5
151.00336	1.3
151.04044	0.8
157.02977	1.3
159.04546	2.2
161.02390	1.8
163.00322	0.7
163.04068	1.7
166.99748	1.0
168.00673	1.5
169.01450	16.0
173.02483	2.3
175.04016	2.6
175.30850	0.8
177.01956	2.0
185.02477	3.1
187.04095	0.9
189.01917	1.6
190.02730	1.3
191.03520	2.0
201.01979	4.3
203.03523	7.2
213.01993	1.2
217.01465	2.5
219.03021	2.6
229.01451	8.7
230.02026	1.4
231.03021	8.5
232.03644	0.9
245.00909	3.0
246.01651	1.2
247.02477	3.4
248.03381	1.1
249.04056	16.3
250.04388	1.7
255.65903	0.9
257.00974	6.8
258.01605	2.8
273.00424	3.6
274.00894	1.0
275.01999	30.8
276.02237	1.9
283.99695	3.8
285.00113	1.2
299.99072	4.3
300.99939	100.0
302.00275	6.9
303.00537	0.9
313.05667	2.9
331.06610	1.2
394.13849	0.8
419.06171	3.2
465.07101	1.8
483.07886	1.9
520.17163	1.1
539.79974	0.9
635.08850	5.8
785.08307	3.2
937.09479	31.0
938.10321	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	969.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19096	0.8
71.01386	1.4
79.89285	0.9
82.20605	0.8
85.02946	1.1
95.01381	1.7
98.21931	4.8
98.22623	1.9
107.01384	1.9
113.02451	1.6
123.00909	5.2
125.02464	18.8
137.02397	1.2
143.00969	0.8
145.02963	2.3
147.04546	1.5
151.00336	1.3
151.04044	0.8
157.02977	1.3
159.04546	2.2
161.02390	1.8
163.00322	0.7
163.04068	1.7
166.99748	1.0
168.00673	1.5
169.01450	16.0
173.02483	2.3
175.04016	2.6
175.30850	0.8
177.01956	2.0
185.02477	3.1
187.04095	0.9
189.01917	1.6
190.02730	1.3
191.03520	2.0
201.01979	4.3
203.03523	7.2
213.01993	1.2
217.01465	2.5
219.03021	2.6
229.01451	8.7
230.02026	1.4
231.03021	8.5
232.03644	0.9
245.00909	3.0
246.01651	1.2
247.02477	3.4
248.03381	1.1
249.04056	16.3
250.04388	1.7
255.65903	0.9
257.00974	6.8
258.01605	2.8
273.00424	3.6
274.00894	1.0
275.01999	30.8
276.02237	1.9
283.99695	3.8
285.00113	1.2
299.99072	4.3
300.99939	100.0
302.00275	6.9
303.00537	0.9
313.05667	2.9
331.06610	1.2
394.13849	0.8
419.06171	3.2
465.07101	1.8
483.07886	1.9
520.17163	1.1
539.79974	0.9
635.08850	5.8
785.08307	3.2
937.09479	31.0
938.10321	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	971.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48380	4.0
83.52444	0.7
83.58609	0.7
91.05545	1.2
93.03477	1.4
95.01373	1.6
98.22522	0.9
99.00905	2.1
105.03471	2.2
105.07119	0.8
107.05034	2.7
109.02979	1.5
115.05586	1.0
117.03461	1.9
119.05045	3.3
121.02946	2.7
121.06631	3.5
123.00901	2.6
123.04530	2.8
125.02460	7.8
131.05048	2.1
133.02968	1.0
133.06610	10.3
135.04544	7.9
137.02420	3.4
143.05060	1.4
145.02986	6.5
146.03725	2.5
147.04518	2.0
149.02457	5.7
149.06107	4.3
151.04022	11.7
151.07632	0.7
159.04526	10.1
160.05095	1.1
161.02478	3.2
161.06108	16.8
161.39671	0.7
162.03261	5.1
163.00478	0.8
163.04024	26.6
164.01187	1.1
164.04460	0.7
165.01962	3.6
169.01456	4.6
173.02461	2.6
175.04012	3.5
177.01956	2.8
177.05560	8.7
185.02466	2.9
187.04025	14.6
189.01935	2.3
190.02734	8.6
191.03503	3.5
193.01425	29.8
194.01781	1.1
201.02014	3.8
203.03514	6.2
204.04120	1.4
205.05066	32.3
206.05435	1.9
213.01993	1.3
217.01381	2.2
219.03000	2.4
221.04611	2.1
229.01495	5.2
231.02992	4.7
233.00908	2.2
237.00365	2.1
245.00977	6.5
247.02502	4.2
248.03165	1.1
249.04076	23.1
250.04355	1.5
257.00934	3.7
258.01654	1.3
273.00464	6.6
274.01147	2.7
275.01996	17.2
276.02277	1.3
283.99652	2.3
285.03961	1.0
291.01514	1.3
293.03000	4.0
294.31876	0.8
299.99112	2.8
300.99930	84.6
302.00253	6.3
320.74838	0.7
337.02045	82.2
338.02441	5.5
419.06506	0.9
463.05075	4.5
464.64117	0.7
465.07156	1.1
633.07385	100.0
634.07715	13.2
818.88495	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	971.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99110	11.3
68.99538	14.3
83.01410	2.7
92.85876	2.2
107.01437	2.3
109.02965	14.7
113.18863	2.2
121.02946	3.1
122.04808	2.1
123.00983	2.2
123.04493	6.4
125.01540	4.8
125.02461	100.0
126.02839	3.1
126.68433	2.3
133.02975	4.1
135.04550	3.0
137.02448	10.1
145.02979	3.4
149.02527	4.9
151.04021	10.0
159.04539	8.0
161.02480	24.7
161.06107	3.3
164.01035	2.8
169.01436	29.9
175.04037	5.6
177.01976	6.4
187.03979	3.4
193.01457	2.7
199.04027	4.6
201.05466	3.8
205.05005	3.8
225.05547	4.2
227.03473	4.0
229.05087	3.3
241.04849	2.9
243.02933	7.0
245.04573	3.8
245.08115	3.4
253.04921	2.4
255.02997	6.5
257.04596	3.1
267.03006	3.6
269.04562	35.1
270.04855	4.5
271.06143	8.2
281.04678	4.0
285.04187	4.8
287.05612	16.6
288.06271	2.6
289.07236	21.6
300.99808	2.9
309.86124	2.3
363.08316	2.2
389.06509	4.7
407.07739	53.0
408.08221	5.3
419.07587	4.1
433.09109	5.6
441.08133	7.8
451.10242	3.6
504.45288	2.6
541.11511	9.5
559.12866	21.1
560.12585	3.2
577.12433	5.3
603.11072	3.1
711.13068	7.4
729.14764	34.9
730.14771	8.2
818.75269	2.6
881.14978	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	971.263
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01338	0.5
71.04543	0.4
71.04849	0.8
88.98792	0.6
93.03493	0.6
101.98695	0.4
105.03469	1.0
115.01910	0.9
116.92939	0.5
117.03477	15.6
119.05041	8.3
132.02194	6.0
133.02974	53.4
134.03642	1.8
135.04527	1.5
137.01508	0.5
145.02969	32.4
146.03308	1.7
147.04594	0.5
149.06055	0.5
150.03156	0.5
160.01642	3.0
161.02463	100.0
162.02815	4.7
163.04037	5.1
173.06042	0.6
175.04070	3.5
178.02766	0.5
179.03543	0.8
191.07202	1.0
193.05061	1.3
235.06087	1.3
273.39761	0.4
323.08066	0.5
391.18033	0.5
453.11908	1.0
628.63629	0.5
633.18286	0.7
663.19525	2.4
751.74237	0.5
795.20911	1.0
809.23175	8.8
810.23108	1.3
825.22296	3.6
826.23285	0.7
971.26129	11.6
972.26276	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	971.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15100	9.9
69.15515	17.4
71.01389	100.0
72.99307	3.9
73.02953	47.6
83.01385	17.3
85.02956	26.2
87.00887	5.3
87.04488	4.5
89.02451	62.5
95.01406	5.6
99.00874	7.6
101.02460	99.7
113.02460	46.1
119.03524	34.0
125.02455	6.4
131.03488	7.0
143.03526	20.3
149.04559	22.9
161.04558	36.8
178.04660	3.6
179.05653	45.0
203.05577	4.6
221.06845	7.4
381.22806	17.6
399.23914	65.2
400.24387	4.7
441.25092	28.1
706.42102	3.1
935.35925	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	973.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42392	20.1
71.62937	3.1
98.21852	7.1
123.00894	6.5
124.01611	4.2
125.02467	44.5
169.01424	35.0
175.03943	6.9
177.01930	8.0
201.02023	4.8
203.03503	12.3
229.01401	11.3
231.02988	14.6
247.02538	4.8
249.04089	34.5
257.00903	11.9
258.01657	5.7
273.00418	7.6
275.01996	100.0
300.99994	25.8
333.75388	4.2
419.06293	17.8
433.04587	5.0
465.06940	5.9
502.07468	4.0
571.07739	6.2
617.07983	11.1
741.09338	8.4
807.31604	4.1
893.10419	9.5
937.08087	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	973.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06062	7.9
69.06494	8.2
83.02431	1.7
87.00646	1.5
95.01408	7.7
109.03021	1.9
109.86050	1.9
117.03490	3.4
119.05011	3.7
121.03004	3.5
123.00907	2.8
125.02482	12.0
133.02972	6.0
137.02444	4.7
139.00359	1.8
143.40936	1.7
145.02980	14.4
147.00996	1.6
147.04558	6.4
149.02480	4.0
151.00351	2.0
157.02931	4.5
159.00809	2.3
159.04553	2.6
161.02467	11.9
163.00423	4.5
163.04037	9.2
164.98315	6.1
165.01991	4.9
169.01460	7.6
171.00925	5.7
173.02490	13.7
175.02657	2.5
175.04044	9.0
176.71449	2.2
177.01933	8.4
179.03455	2.2
185.02466	4.3
187.00383	5.2
189.01999	14.1
190.02675	8.4
190.99854	2.1
191.03514	27.2
192.03862	2.6
197.32204	1.7
199.00417	5.2
201.01941	16.6
202.02631	2.0
203.03503	10.9
205.01419	3.9
209.00961	4.8
213.02014	2.4
214.99805	2.9
216.00620	2.4
217.01439	20.4
218.02097	5.5
219.02983	14.1
221.00938	2.1
221.04660	1.8
223.36267	1.9
226.99841	5.2
229.01398	19.0
230.01956	3.2
231.03128	8.4
235.02489	2.9
242.99307	11.2
243.03125	3.4
244.00003	2.0
245.00934	31.0
246.01573	1.7
247.02490	60.7
248.02902	4.9
249.04079	9.2
254.99272	3.3
257.00961	7.3
259.02548	4.1
259.99625	2.2
261.00488	4.2
264.41940	2.0
269.00894	1.9
270.98874	26.4
271.99524	2.2
273.00424	52.2
274.00989	4.6
275.02048	20.8
276.02393	2.3
283.99768	2.4
287.01859	3.0
289.00125	3.8
289.03403	2.3
291.01556	16.9
298.98376	41.9
299.01706	3.8
299.99045	10.3
300.02191	2.1
300.99930	100.0
302.00342	7.3
316.99487	3.5
333.02655	5.1
340.99289	5.5
376.59677	1.9
396.14127	1.9
435.05920	3.5
443.02701	2.8
453.06802	7.4
461.03668	5.0
463.05154	2.3
477.11993	2.0
645.07495	4.3
707.05438	3.0
725.06317	4.4
733.02734	2.5
735.05402	10.7
736.05414	3.7
743.01465	2.9
745.02826	5.7
751.04321	2.5
753.05505	3.6
755.07135	8.6
763.03864	3.4
848.32190	2.3
937.06696	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	973.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52379	8.6
69.52789	3.8
73.45431	1.7
91.68291	1.7
95.01389	13.2
97.02967	2.2
99.19896	1.6
107.01408	3.6
117.03479	3.0
123.00903	28.1
125.02454	15.7
133.03023	2.3
137.02437	2.5
139.00359	2.9
141.01974	2.4
145.02975	7.8
147.04539	6.4
157.02951	6.5
159.00879	2.7
159.04561	3.3
161.02472	6.5
163.00345	2.8
163.04105	9.0
165.01944	3.2
166.99854	8.7
169.01498	9.5
173.02446	7.7
175.04028	8.3
177.01968	5.2
185.02463	3.2
189.02000	5.1
189.82079	1.7
191.03531	14.5
193.01430	2.0
199.00356	2.3
201.01981	15.3
203.03535	14.7
205.01299	2.1
217.01448	7.4
219.03049	8.4
226.99997	2.4
229.01424	13.0
230.01886	5.4
231.02977	11.3
235.02457	3.6
244.02859	2.1
245.01012	8.6
247.02504	31.7
248.02921	2.9
249.03996	3.9
250.04332	3.6
257.00922	4.6
258.01306	3.1
263.02020	5.9
270.98828	2.8
273.00433	16.2
274.00955	2.7
275.01974	25.5
276.02274	11.3
277.02557	5.4
291.01456	6.9
298.98328	7.6
299.99014	3.2
300.99933	28.6
302.00232	8.1
303.00537	6.3
328.33813	1.7
335.00696	3.3
489.64740	2.0
527.54193	2.1
569.35181	1.7
587.06677	3.7
603.06232	5.5
613.04767	100.0
614.05194	13.5
631.05841	58.0
632.06085	7.5
635.08246	2.4
790.86804	2.0
911.10028	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	974.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
95.43888	1.9
113.02419	2.0
117.03468	12.6
118.03848	2.1
119.05072	1.9
121.02956	2.6
121.78815	1.6
132.02194	31.6
133.02974	2.3
134.03761	16.6
135.04488	4.3
145.02979	28.8
146.03314	6.5
149.06114	4.2
160.01682	100.0
161.02467	10.4
163.04019	2.3
175.04024	91.1
176.04393	5.0
178.02768	3.0
179.03552	3.6
193.05061	16.0
228.98447	1.7
229.45955	1.7
235.06137	3.5
294.37704	1.6
331.96930	1.7
399.94669	1.8
675.19702	3.6
693.20636	4.9
717.20581	4.1
735.21442	16.0
736.21490	4.5
851.24054	8.1
852.25598	2.1
869.24457	6.6
911.09949	2.6
911.26349	32.8
912.25934	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	975.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65933	4.4
93.02044	0.9
95.01379	4.0
109.02975	1.0
120.75805	1.0
123.00900	1.9
124.80709	1.0
125.02472	2.4
131.04994	1.1
133.03006	2.1
137.02472	2.2
145.02957	3.4
147.04526	3.5
149.02480	1.1
153.86137	0.9
157.02960	1.5
159.04541	2.9
161.02440	2.5
163.00375	3.6
163.03999	3.0
164.98363	2.1
165.01936	2.0
171.00949	1.5
173.02460	4.3
175.02641	1.2
175.03949	4.8
177.01955	3.4
185.02440	3.8
187.03992	1.1
189.01927	4.3
190.02698	1.0
190.99887	1.5
191.03516	4.1
193.01448	1.3
198.66110	0.9
199.00328	1.6
200.01167	1.3
201.01953	6.8
203.03516	9.5
205.01494	1.3
205.05191	1.9
209.00826	2.7
209.75369	0.9
213.01949	2.9
214.99748	1.1
217.01416	4.7
219.02962	2.8
221.00848	1.2
226.99911	1.8
229.01428	17.0
230.02005	1.6
231.03009	7.8
233.00880	1.2
237.00305	1.0
242.99420	1.8
245.00929	9.3
246.01295	1.5
247.02487	8.2
248.02730	1.1
249.04053	8.7
257.00934	15.0
258.01617	4.6
258.98438	0.9
270.98853	4.7
273.00467	12.5
274.01175	2.6
275.02008	69.8
276.02255	5.1
283.99588	3.5
291.01471	2.3
293.03036	2.6
298.98352	10.3
299.99045	5.3
300.99924	100.0
302.00327	8.2
319.00891	7.0
461.03476	1.2
463.05191	3.1
481.06223	3.5
673.07501	1.3
681.03613	1.8
737.05786	2.1
745.03296	1.3
763.03979	4.3
781.04950	6.0
783.06891	9.4
784.06360	1.4
897.06281	1.2
905.97504	1.1
957.08582	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	977.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.8
69.05605	3.0
73.38866	0.3
73.65596	0.3
74.64230	0.3
79.59526	0.4
81.03475	1.6
83.01399	1.4
86.17210	0.3
93.03468	0.4
95.01411	0.9
95.05046	0.9
97.02966	3.7
107.01421	1.5
109.02969	7.4
111.00894	0.9
119.51555	0.3
121.02976	1.2
123.00894	1.8
123.04540	5.2
124.01717	0.5
125.02461	69.7
126.02804	1.3
133.03061	0.4
133.78003	0.3
135.04543	0.9
136.98804	0.4
137.02466	7.1
139.00423	0.8
139.04030	1.1
140.01190	0.5
145.02960	2.7
146.03650	0.3
147.04485	0.3
149.02448	2.1
150.03224	0.8
151.04027	4.5
159.04539	2.3
161.02434	0.6
161.06067	2.3
162.03293	0.6
164.01187	1.4
165.01945	2.0
166.99892	1.3
167.03491	0.5
168.00648	1.0
169.01442	100.0
170.01779	2.7
175.04008	0.8
175.07671	0.4
179.03455	2.4
185.06108	1.0
187.04016	1.7
188.04762	1.8
193.01428	4.1
194.01636	0.4
201.05624	0.5
202.06342	0.4
203.07135	5.0
205.05046	2.7
221.08255	1.0
227.07207	1.0
231.02826	0.5
245.08189	7.3
246.08644	0.6
247.06047	0.4
253.05116	1.3
259.06107	1.1
271.06107	4.6
287.05643	0.4
289.07196	36.8
290.07553	2.8
299.17517	0.3
303.05145	1.8
316.67957	0.3
331.04691	2.3
397.09415	0.5
441.08316	43.0
442.08661	4.3
549.52832	0.4
782.93274	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	977.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.8
69.05605	3.0
73.38866	0.3
73.65596	0.3
74.64230	0.3
79.59526	0.4
81.03475	1.6
83.01399	1.4
86.17210	0.3
93.03468	0.4
95.01411	0.9
95.05046	0.9
97.02966	3.7
107.01421	1.5
109.02969	7.4
111.00894	0.9
119.51555	0.3
121.02976	1.2
123.00894	1.8
123.04540	5.2
124.01717	0.5
125.02461	69.7
126.02804	1.3
133.03061	0.4
133.78003	0.3
135.04543	0.9
136.98804	0.4
137.02466	7.1
139.00423	0.8
139.04030	1.1
140.01190	0.5
145.02960	2.7
146.03650	0.3
147.04485	0.3
149.02448	2.1
150.03224	0.8
151.04027	4.5
159.04539	2.3
161.02434	0.6
161.06067	2.3
162.03293	0.6
164.01187	1.4
165.01945	2.0
166.99892	1.3
167.03491	0.5
168.00648	1.0
169.01442	100.0
170.01779	2.7
175.04008	0.8
175.07671	0.4
179.03455	2.4
185.06108	1.0
187.04016	1.7
188.04762	1.8
193.01428	4.1
194.01636	0.4
201.05624	0.5
202.06342	0.4
203.07135	5.0
205.05046	2.7
221.08255	1.0
227.07207	1.0
231.02826	0.5
245.08189	7.3
246.08644	0.6
247.06047	0.4
253.05116	1.3
259.06107	1.1
271.06107	4.6
287.05643	0.4
289.07196	36.8
290.07553	2.8
299.17517	0.3
303.05145	1.8
316.67957	0.3
331.04691	2.3
397.09415	0.5
441.08316	43.0
442.08661	4.3
549.52832	0.4
782.93274	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	980.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26653	5.1
83.01395	4.6
96.96017	8.2
97.02951	4.0
107.01435	4.7
109.02982	15.6
123.00901	2.5
123.04539	9.2
125.02461	100.0
133.02972	7.0
135.04538	4.0
137.02467	24.6
140.46849	2.6
145.03027	4.7
151.00403	17.9
151.03992	8.6
159.04558	7.0
161.02451	23.7
161.06076	4.0
162.03043	2.7
163.00439	3.2
163.04022	4.3
164.01176	4.3
165.01923	5.2
169.01457	25.0
175.04054	9.8
177.01941	9.7
178.99881	11.8
187.04030	7.6
189.02011	2.8
198.73659	2.7
199.04047	3.4
203.07152	6.0
205.05066	5.6
217.05212	4.0
227.03418	2.7
229.04980	3.4
236.33682	2.7
243.02971	9.7
245.04579	6.5
245.08217	10.3
245.62131	2.6
247.06192	2.5
249.95702	2.8
253.05069	3.9
255.03018	12.0
256.03735	5.3
269.04803	3.5
271.06168	8.2
273.00357	2.9
281.04568	5.6
285.03976	5.9
287.05621	5.7
289.07205	40.2
290.07654	5.5
297.04120	3.1
299.01959	2.7
300.99887	10.9
317.03036	34.6
335.00546	2.6
381.09125	2.6
389.06671	5.6
407.07733	95.8
408.08072	9.6
425.08896	6.1
433.08636	3.0
441.08282	19.0
449.71021	3.1
451.10376	11.6
469.38434	2.9
493.06412	27.6
559.07874	13.9
577.13513	14.0
603.11304	8.1
729.14679	33.4
730.14673	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	981.086
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.5
71.26945	2.0
93.03482	1.8
95.01395	3.7
97.02961	1.9
107.01427	2.3
109.02997	2.1
111.00849	1.6
117.03477	3.9
119.05024	2.6
121.02970	1.9
123.00878	9.2
123.04539	3.5
124.01646	2.3
125.02456	66.0
125.42680	1.6
126.02758	3.1
127.23147	1.5
128.11372	1.4
131.01347	2.9
132.02170	2.2
133.02966	6.8
136.11563	1.5
137.02470	4.0
143.01393	4.2
145.02972	11.9
147.00877	2.9
147.04535	2.2
149.02490	4.8
151.04016	6.4
157.02965	2.6
159.00916	3.5
159.04474	3.5
161.02483	19.7
162.02829	1.8
163.00328	3.6
163.04033	5.8
164.01096	2.8
165.01869	2.0
166.99802	2.9
167.03481	3.1
169.01434	42.3
170.01715	2.4
171.00879	6.8
172.01656	2.1
173.02483	11.6
174.03134	2.0
175.03958	7.1
177.01959	11.9
185.02443	3.3
187.00409	11.8
188.01140	3.0
189.01985	15.2
190.02621	2.8
191.03458	7.1
199.00410	5.0
199.04022	2.0
200.01131	4.3
201.01984	11.7
213.01962	1.6
214.99890	18.6
216.00629	6.2
217.01408	18.5
218.01994	1.7
219.02994	3.5
226.99870	7.4
227.03447	1.8
228.00592	2.7
229.01414	16.3
231.03030	4.3
242.99373	22.0
243.02989	6.1
244.00110	2.4
245.00941	28.8
245.04547	3.4
246.01326	2.9
247.02522	13.2
254.99373	4.4
255.03056	1.9
257.00772	7.5
258.01379	2.1
261.00443	8.5
269.04486	7.2
270.98859	69.0
271.99301	6.7
273.00446	53.5
274.00836	3.5
275.01978	18.5
281.04617	2.2
285.00092	1.9
285.04056	2.1
286.98361	6.9
287.05579	6.1
288.99911	2.4
289.07202	4.2
291.01468	4.4
295.02325	1.9
298.98364	100.0
299.99088	22.6
300.99908	78.9
301.02734	1.3
302.00293	8.4
303.01218	2.1
303.05026	7.0
309.21658	2.0
315.01407	1.7
316.99536	12.2
331.01010	2.9
395.07663	2.3
403.40402	1.7
433.04236	1.7
461.03860	2.9
632.54498	1.9
689.05603	2.2
742.22382	2.1
745.02881	2.6
749.05017	1.7
763.03308	2.0
885.02240	2.9
903.05170	2.9
913.04108	8.9
914.02911	3.0
931.04663	4.4
932.05701	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	981.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96257	1.7
71.06314	4.5
95.01412	5.1
105.03452	2.0
117.03456	8.4
119.05045	3.7
119.87353	1.8
123.00911	8.0
125.02455	6.7
129.03421	2.3
132.02161	2.0
133.02951	8.0
135.04533	3.3
143.01411	2.6
145.02979	18.0
147.00909	2.5
147.04518	5.8
149.02414	2.9
149.50035	1.7
157.02905	4.2
159.00862	4.1
159.04468	2.5
161.02451	21.6
162.03224	2.0
163.04063	10.7
166.99808	4.5
169.01431	6.8
171.00900	10.9
172.01665	4.9
173.02490	15.9
174.03139	2.7
175.02728	1.8
175.03934	8.6
176.01201	3.1
177.01941	7.2
179.03642	1.9
185.02448	6.2
187.00394	8.8
188.01138	3.8
189.01968	21.2
190.02654	8.4
191.03511	21.8
199.00351	6.6
200.01146	4.7
201.01936	23.8
202.02708	2.5
203.03523	7.8
205.01436	5.2
213.01939	2.2
214.99925	13.7
216.00621	7.2
217.01462	34.2
218.02122	4.3
219.02983	10.6
226.99925	9.6
227.03467	1.9
228.00491	4.1
229.01448	26.2
230.01976	4.4
230.99376	2.5
231.03003	7.6
231.99983	1.9
233.00967	2.7
242.99370	19.3
243.03085	2.6
244.00102	11.4
245.00919	43.6
246.01611	6.3
246.99982	3.4
247.02502	64.6
248.02875	3.9
249.03978	2.6
254.99326	6.0
257.00928	8.4
258.01443	2.4
259.02484	2.0
259.99673	4.2
261.00327	12.6
261.04190	1.8
263.01843	4.4
270.98911	38.4
271.99539	7.9
273.00433	64.1
274.00949	7.4
275.02054	15.1
283.99646	3.5
286.98361	5.0
287.01904	3.6
288.99939	7.6
291.01456	17.2
298.98367	53.6
299.99084	29.4
300.99918	100.0
302.00208	6.2
303.01459	7.8
305.02911	8.3
311.05563	1.9
314.00458	1.8
315.01303	2.8
316.99454	3.3
326.31738	1.8
331.00867	10.6
333.02838	2.7
343.01141	3.0
349.02014	3.7
409.62006	1.9
435.05490	3.7
443.02457	3.0
493.06042	2.0
595.03040	2.1
601.05170	2.2
707.05847	3.4
717.03711	4.0
719.05585	3.0
735.04230	5.4
745.02264	3.2
775.04285	3.1
777.05792	4.9
778.05750	1.9
793.05164	5.0
795.07037	2.7
877.07751	2.2
887.05682	8.8
888.05646	2.5
895.02515	2.5
905.07031	2.0
913.03632	18.5
914.03577	5.4
931.05798	4.0
945.06482	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	982.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40658	5.8
71.09592	15.1
86.02468	7.7
96.96024	6.6
115.96658	6.3
125.02413	13.4
128.03552	28.1
133.55431	6.1
143.04665	36.5
158.95908	7.5
160.00742	11.1
169.01430	16.0
184.06226	5.8
189.84019	6.6
191.18399	6.9
250.14017	6.7
272.08810	19.2
280.63135	6.7
285.04086	10.7
288.06540	9.9
301.04053	8.1
306.07727	100.0
308.69006	6.3
459.09705	14.8
523.21967	11.9
915.27869	7.8
924.70190	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	983.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	3.4
71.01392	28.9
73.02935	3.2
78.95924	2.6
85.02962	7.3
87.00894	6.4
89.02455	15.5
96.96022	28.1
96.96973	3.3
97.02979	3.5
97.06601	2.0
98.21703	4.5
101.02463	18.1
111.08176	2.3
113.02459	7.6
113.09786	3.4
116.92838	3.6
119.03540	6.2
125.02480	4.5
131.03630	1.9
141.09291	2.0
143.03482	2.9
161.04607	3.4
165.12869	2.5
167.14348	2.2
179.05664	4.7
179.14569	1.9
181.12291	3.9
195.13910	10.5
196.30550	2.1
197.11954	3.0
211.13396	1.9
221.06705	4.0
223.13417	4.7
225.15105	2.1
228.81155	2.3
247.20644	2.4
273.18610	2.4
275.20197	4.0
281.21194	2.2
291.19690	39.3
292.19986	4.2
293.21240	88.2
294.21576	7.2
309.20746	100.0
310.21066	7.0
379.12363	2.4
397.13489	29.1
415.14694	14.8
468.81747	1.9
689.33765	5.9
691.35675	2.4
707.35315	13.0
983.55927	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	984.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27740	3.3
73.76392	2.7
74.82700	2.7
80.36949	2.5
80.60025	2.6
111.25711	2.3
121.02890	3.3
125.02471	5.4
146.09566	3.1
151.00377	9.8
178.99939	7.9
243.02992	7.5
255.02991	20.3
271.02496	45.5
272.02814	3.5
300.02753	74.4
301.03543	60.0
302.03961	5.9
310.32285	3.0
313.26016	3.0
408.22482	2.7
475.08832	100.0
476.09006	14.7
620.42114	3.2
660.24438	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	985.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64628	0.4
71.01386	0.6
73.02930	0.7
93.03476	0.7
95.01353	0.9
99.00912	1.0
109.02949	0.7
111.00896	0.7
117.03522	0.7
119.05031	1.3
121.02955	0.8
121.06607	0.8
123.00894	1.1
124.01662	0.8
125.02464	5.0
131.05005	1.0
133.02959	0.8
135.04494	1.0
137.02475	1.4
145.02925	2.3
147.00905	0.8
147.04536	3.5
148.01604	0.6
149.02460	2.0
149.06053	0.8
157.02942	0.9
159.04518	3.5
160.01701	0.5
161.02451	1.6
161.06033	1.2
162.03220	0.6
163.00417	0.9
163.03992	3.2
164.01137	1.5
165.01959	1.0
165.05638	0.5
169.01465	5.3
173.02449	2.0
175.04034	5.0
176.01065	0.9
177.01979	2.5
177.05568	2.4
180.50084	0.6
185.02457	1.9
187.04027	2.8
189.01962	3.0
190.02690	2.2
190.99786	0.7
191.03519	5.3
192.00471	0.5
192.03899	0.5
193.01382	2.6
201.01953	3.2
203.03516	12.6
204.04002	0.9
205.01494	0.7
205.05078	9.9
206.05356	0.9
207.02994	1.6
209.00859	0.6
213.01947	1.3
217.01428	2.2
219.02959	2.1
221.04607	1.1
226.99869	0.8
229.01443	6.7
230.01888	0.7
231.00871	1.0
231.03012	14.2
232.03329	1.1
235.02403	0.7
237.00435	0.8
244.00276	0.6
245.00885	4.6
247.02504	4.3
248.03189	0.9
249.04056	3.9
251.02080	2.4
255.02769	0.7
257.00949	5.8
258.01593	1.5
263.05670	0.9
265.03394	0.6
270.98856	0.8
273.00418	3.7
274.01175	1.3
275.02011	17.3
276.02365	1.1
283.99701	2.5
293.02985	2.7
299.99207	3.4
300.99911	100.0
302.00272	7.5
307.04645	6.3
319.00967	4.1
325.05576	2.8
337.02133	3.1
346.05328	0.5
351.03595	8.1
352.03757	0.5
369.04385	0.9
419.05939	0.6
445.04086	1.9
463.05377	3.8
481.06299	1.9
513.08752	1.0
529.89526	0.5
607.08807	0.6
615.06470	1.1
633.07703	3.5
646.30756	0.6
783.06873	0.8
784.08380	0.6
789.09595	0.6
815.09937	0.9
935.07129	3.3
936.08362	0.8
953.09143	5.9
954.09406	1.4
985.11249	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	985.117
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15271	0.9
71.26404	1.3
77.68129	0.9
90.45345	0.7
117.03502	0.9
125.02459	3.3
135.04524	1.4
137.02446	1.1
145.02948	3.3
147.04544	1.9
159.04565	1.0
161.02391	1.4
163.00389	1.0
163.04050	1.7
165.01868	1.0
169.01483	6.1
173.02441	3.8
175.04004	3.4
177.01997	1.5
185.02434	4.2
187.04085	1.2
189.01973	1.9
190.02689	0.9
191.03564	4.0
193.01505	1.1
194.02039	0.9
201.01970	4.3
203.03522	5.9
205.01433	1.5
205.05086	2.3
205.42804	0.8
206.05521	0.9
217.01472	1.6
219.03030	2.3
229.01437	7.5
231.03046	6.3
240.83296	0.9
245.00882	4.7
247.02466	5.5
248.03128	1.2
249.04068	2.0
257.00943	7.0
258.01489	1.5
270.98853	1.3
273.00504	4.6
274.00830	1.4
275.02023	15.9
276.02390	1.4
283.99707	2.9
291.01547	2.1
298.98413	1.7
299.99100	6.0
300.99936	100.0
302.00214	7.8
303.00470	1.6
332.84924	1.0
343.01160	1.3
351.03635	2.7
424.86673	1.0
463.05127	3.8
633.07208	3.4
765.05933	1.7
783.07623	1.6
903.60846	1.1
907.08710	1.1
935.08154	6.3
936.07837	2.0
940.93152	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	985.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	0.9
71.26311	0.8
79.05499	0.5
85.66599	0.5
91.05530	0.6
95.01411	0.9
97.45539	0.5
107.01434	0.9
109.02940	0.7
117.03476	1.5
119.05036	0.8
121.02992	0.7
123.00870	2.1
124.01694	1.1
125.02470	5.3
129.03526	0.6
131.05051	1.4
133.02982	1.4
133.06624	0.6
135.04579	0.9
137.02429	2.8
145.02977	4.2
146.03485	0.7
147.04507	2.7
149.02422	2.2
149.06075	1.1
151.03972	0.7
157.02943	0.8
158.03761	0.6
159.04532	3.3
160.01637	0.6
161.02451	3.3
161.06100	1.0
163.00392	1.9
163.04033	3.0
164.01105	0.6
165.01945	1.7
169.01445	3.9
173.02408	4.0
175.04048	5.5
176.04558	0.5
177.01953	2.9
177.05553	1.8
185.02414	4.4
187.00313	0.6
187.03944	2.7
189.01903	3.5
190.02794	3.1
190.99867	0.5
191.03526	4.3
192.00697	0.9
192.03929	0.7
193.01454	3.8
200.01239	0.7
201.02019	5.2
202.02530	1.1
203.03499	10.3
204.03957	1.3
205.01385	1.3
205.05077	6.1
208.00044	0.6
209.00894	1.1
213.01927	1.5
215.03445	0.7
216.00491	1.5
216.10162	0.5
217.01459	4.0
218.02132	0.9
219.03021	3.0
221.04614	1.2
226.99869	0.9
228.00612	0.8
229.01424	12.6
230.01991	1.5
230.99423	0.5
231.03003	8.6
237.00404	1.3
242.02481	0.6
242.99399	1.1
243.99980	0.7
245.00922	7.6
246.01357	0.8
246.12125	0.6
247.02480	8.6
248.02852	1.4
249.04080	4.0
257.00943	7.9
258.01566	1.7
259.02368	0.7
261.00467	0.8
265.03479	1.0
270.98941	2.1
271.99402	1.0
272.57678	0.5
273.00446	6.7
274.01175	3.0
275.02005	24.7
276.02286	1.7
283.99722	3.0
291.01492	1.2
293.03079	1.4
298.98358	1.7
299.99115	8.2
300.99918	100.0
302.00253	7.9
303.00446	1.1
315.01398	1.9
316.99438	0.8
319.00922	4.3
343.00925	3.7
437.07529	0.6
439.05634	0.7
463.05167	2.5
481.06204	1.3
499.06989	0.9
536.13422	0.5
574.67218	0.6
607.09540	0.8
617.07977	1.2
633.07483	4.0
651.08740	0.6
683.05096	1.5
739.07727	3.0
755.06958	1.0
765.06378	1.1
783.07037	11.8
784.07263	1.8
801.08069	4.1
802.08417	0.6
907.07928	1.2
909.10028	1.6
935.07971	7.0
936.08069	2.2
953.09131	2.3
991.70575	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	985.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29664	0.5
71.01415	0.3
87.00895	0.4
89.03989	0.6
93.03434	0.3
97.02968	0.2
101.02426	0.3
101.56026	0.2
112.52388	0.2
113.02493	0.2
116.02673	0.3
117.03481	50.7
118.03793	1.7
119.05040	4.7
120.05418	0.2
130.04179	0.2
132.02182	3.9
133.02992	1.4
134.02737	0.3
134.03755	5.3
135.04573	1.2
136.01776	0.2
137.02429	0.3
145.02969	100.0
146.03302	3.8
147.04567	0.2
149.06085	1.2
159.04518	0.4
160.01674	13.1
161.02464	3.3
163.04008	2.9
171.04524	0.3
173.06102	0.3
175.04022	11.4
176.04628	0.8
177.05559	0.3
178.02748	1.1
179.03479	1.3
187.04097	1.0
191.07199	0.8
192.19058	0.2
193.05081	3.9
194.05518	0.2
205.05081	0.3
217.05049	0.6
220.03773	0.2
235.06096	1.4
247.06398	0.3
250.95879	0.2
265.07233	0.6
295.08194	0.9
323.07925	0.4
337.09271	0.4
483.13022	2.2
545.65192	0.2
645.18451	1.1
646.18231	0.3
663.19659	2.2
675.19623	0.5
693.20294	2.3
694.21222	0.2
791.21655	0.4
809.23065	2.3
810.24103	0.3
821.23535	1.4
822.22620	0.3
839.24091	13.1
840.24396	2.7
985.27722	7.7
986.28241	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	985.2777
Annotation	Lapathoside A
Peak:m/z	Relative Intensity
71.01376	0.7
80.96012	0.2
85.02911	0.2
85.35330	0.2
87.00892	0.4
89.03977	0.9
93.03483	0.5
98.22601	0.5
101.02463	0.2
113.02466	0.3
117.03483	52.5
118.03821	1.9
118.32192	0.2
119.05042	7.6
120.05375	0.4
132.02190	10.0
133.03026	1.8
133.06595	0.4
134.03761	5.9
135.04559	1.6
143.04987	0.2
145.02971	100.0
146.03311	3.8
147.04530	0.4
148.05399	0.2
149.06090	1.0
158.03754	0.3
159.04477	0.3
160.01680	29.6
161.02464	4.7
161.06081	0.3
163.04041	4.2
171.04518	0.2
173.06053	0.3
175.04024	23.1
176.04478	1.3
177.05516	0.4
178.02756	0.8
179.03499	1.3
187.03998	0.8
191.07138	1.2
193.05069	4.4
193.06770	0.3
205.05165	0.2
207.06729	0.3
217.05135	1.0
229.77199	0.4
235.06096	1.8
238.45598	0.2
265.07248	0.4
266.07455	0.2
289.07352	0.3
295.08279	1.0
307.08386	0.3
323.07742	0.3
329.34631	0.2
355.10193	0.2
452.41443	0.2
453.12131	1.0
483.12988	1.2
633.18073	0.2
645.18262	1.2
663.19397	2.3
664.19946	0.5
675.19525	0.6
693.20514	1.5
694.20740	0.2
791.21954	1.0
809.23041	5.8
810.23254	1.1
821.22565	1.4
839.24036	10.0
840.24384	2.4
985.27789	8.6
986.27881	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	987.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05513	0.4
91.05511	0.6
93.03487	0.9
95.01408	0.7
98.22641	0.7
99.00903	1.2
105.03466	1.4
105.07079	1.0
107.05042	2.2
109.02959	0.7
111.00891	0.4
115.05493	0.7
117.03474	1.6
117.07108	0.4
117.71243	0.3
119.05035	1.9
121.02935	1.7
121.06634	2.9
123.00904	0.5
123.04559	2.0
125.02460	2.9
131.05035	1.2
133.02988	0.7
133.06607	7.8
134.07007	0.4
135.04544	4.6
137.02437	1.7
143.05051	1.0
145.02960	3.9
146.03699	1.1
147.04520	1.0
148.01619	0.5
149.02469	3.5
149.06113	2.4
150.06503	0.3
151.04013	7.3
151.07671	0.3
157.82130	0.3
159.04523	5.4
159.56375	0.3
160.05273	1.4
161.02448	1.9
161.06093	13.0
162.03224	3.6
163.04024	20.1
164.01126	0.9
164.04353	1.0
165.01942	2.1
166.99925	0.7
167.03592	0.3
169.01427	2.7
173.02469	0.6
175.04001	1.9
177.01901	1.3
177.05576	5.9
187.04004	8.8
188.04474	0.4
189.01942	0.9
190.02733	4.8
191.03535	1.9
193.01421	21.1
194.01747	0.6
195.02957	0.4
201.01968	0.8
203.03549	3.1
204.04233	0.6
205.05067	25.2
206.05421	1.5
217.01439	1.0
219.02963	0.9
221.04553	1.1
229.01477	0.5
231.02998	1.5
233.00920	1.5
237.00339	1.6
245.00943	1.2
247.02371	1.5
249.04051	19.3
250.04305	1.0
257.00906	0.5
261.00443	0.7
270.98782	0.5
273.00381	1.8
275.01984	1.1
291.01187	0.5
293.03091	3.7
298.98309	1.3
299.99103	1.0
300.99832	2.8
319.00940	0.5
337.02032	100.0
338.02359	7.0
414.45810	0.4
445.04199	1.1
445.46429	0.3
461.03696	2.0
463.05328	1.5
588.82867	0.3
595.08557	0.3
613.04907	1.6
631.05890	0.7
633.07452	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	987.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	1.8
71.25596	2.7
75.30058	1.4
83.63383	1.3
85.02953	24.3
93.03429	2.0
95.01392	9.4
101.03982	1.7
107.01401	4.1
109.02991	1.8
117.03493	3.5
119.05017	5.0
123.00906	23.4
125.02470	17.3
129.01903	1.4
129.03481	2.6
133.02980	3.2
135.04562	2.1
136.63934	1.4
137.02455	1.9
139.00417	1.8
145.02989	9.6
147.03024	2.4
147.04518	5.6
149.02438	3.0
155.91026	1.3
157.02954	6.0
159.00929	2.3
159.04552	2.5
161.02458	7.0
161.06137	1.6
163.00415	4.7
163.04047	10.7
165.01991	2.5
166.99910	9.0
169.01404	18.1
171.00786	1.7
173.02496	9.8
175.04036	9.2
177.01910	2.7
177.05666	2.2
179.03432	1.6
185.02475	2.3
187.00371	1.7
187.04028	1.7
189.01953	5.7
190.02621	3.2
191.00008	2.0
191.01962	9.9
191.03529	15.4
193.01357	3.4
196.48073	1.4
199.00342	2.2
200.01151	2.4
201.01933	15.1
203.03572	8.5
205.05070	2.8
209.00883	4.6
209.02994	24.0
211.02299	1.5
214.02739	1.7
217.01482	10.9
219.03047	8.9
221.04544	2.1
226.99895	4.9
229.01410	16.5
230.02107	3.2
231.03011	10.1
235.02512	3.8
245.00899	16.5
246.01277	1.5
247.02472	42.1
248.02719	2.4
249.03969	4.6
257.00882	4.7
261.00339	2.4
263.01892	5.0
270.98868	5.2
271.99591	1.6
273.00464	21.8
274.00879	2.1
275.01965	14.5
276.02310	1.7
291.01382	8.3
298.98364	12.3
299.99017	4.3
300.99942	37.8
302.00107	6.7
316.99164	3.1
335.00415	5.3
337.02014	11.6
338.02533	1.6
355.06909	1.9
417.04605	3.6
445.04544	3.1
461.03467	1.9
463.05060	1.9
587.06763	3.9
603.06268	6.2
605.07654	1.9
613.04797	100.0
614.05115	16.7
631.05829	45.4
632.05939	5.9
635.08698	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	987.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	1.5
79.01923	1.4
84.02184	1.5
85.02959	38.0
86.03291	1.6
91.25822	1.2
93.03440	1.6
95.01414	8.4
99.00906	1.2
105.03460	2.8
105.07142	1.4
106.30221	1.1
107.01397	2.4
107.05019	2.3
111.00902	1.8
117.03497	7.2
119.05016	3.7
121.02979	2.8
121.06624	2.5
123.00899	22.7
123.04493	1.5
125.02460	12.9
129.03450	2.7
131.05026	2.1
133.02927	2.8
133.06599	8.7
135.04544	6.3
137.02423	3.4
139.00375	2.8
145.02959	17.3
147.03056	7.1
147.04498	5.5
149.02466	5.7
149.06087	2.8
151.04027	6.9
157.02966	4.3
158.03665	1.4
159.00896	2.4
159.04477	7.2
161.02492	5.7
161.06113	12.0
162.03209	2.4
163.00417	2.3
163.04034	26.5
164.01125	1.4
164.04346	1.5
165.01939	5.1
166.99857	8.7
169.01457	14.8
171.00850	3.3
172.01636	1.4
173.02473	8.6
175.04033	10.1
177.01904	4.6
177.05663	8.3
185.02452	3.4
187.03986	6.4
189.01941	6.7
190.02728	5.4
191.00050	1.7
191.01961	26.5
191.03535	15.6
193.01447	20.0
194.01764	1.5
199.00386	2.8
200.01198	1.9
201.01933	13.0
203.03508	10.9
205.01437	1.3
205.05089	26.8
209.00945	3.4
216.00838	1.3
217.01427	8.1
219.03061	7.7
226.99878	4.0
229.01436	12.9
229.45309	1.5
230.02020	2.6
231.03020	10.1
235.02435	3.4
237.00452	2.0
242.99274	1.7
244.00122	1.5
245.00926	13.2
247.02486	30.6
248.02808	1.9
249.04071	21.7
257.00903	2.3
261.00482	2.7
263.01959	4.6
270.98883	4.0
273.00439	24.0
274.01147	1.8
275.01971	12.7
291.01447	7.7
292.24554	1.3
293.02982	3.5
294.99048	1.3
298.98294	10.0
299.98987	4.6
300.99881	25.9
302.00089	2.8
316.99396	2.4
335.00400	4.1
337.02036	98.3
338.02423	6.9
343.01395	1.3
399.03430	1.7
403.03238	1.5
417.04745	1.5
443.02634	1.7
445.04022	3.8
461.03775	4.4
463.05301	2.4
587.06848	4.6
603.06531	5.5
604.06390	1.4
605.07666	1.4
613.04755	100.0
614.05237	14.5
631.05811	48.6
631.14648	0.8
631.16541	1.3
632.06476	7.3
633.07349	3.7
635.09064	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	987.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95783	21.0
68.96189	3.4
82.77521	2.1
98.22564	3.8
100.93154	2.4
115.07087	2.5
125.02453	3.7
151.00424	4.1
156.11711	2.2
169.01414	5.8
184.50183	3.0
208.66600	2.2
227.03380	2.4
243.02911	7.4
255.03027	25.8
271.02505	51.4
272.03009	5.2
300.02780	91.9
301.03345	20.8
404.76135	2.4
475.08853	100.0
476.09259	8.7
538.35260	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	987.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26946	8.1
149.50410	7.7
151.00410	11.8
199.65576	6.1
245.40868	6.5
255.02962	16.4
271.02521	31.9
271.06912	8.4
300.02786	49.0
301.00415	6.2
301.03442	39.6
475.08865	100.0
476.09198	7.1
527.74640	6.3
783.49359	8.1
1001.42371	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	987.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	0.6
85.02970	0.4
89.03970	0.6
98.21693	0.5
101.02460	0.3
108.02174	0.4
117.03480	49.9
118.03817	1.8
119.05046	7.3
120.05310	0.3
125.02453	0.7
134.89333	0.4
136.01707	0.8
138.65015	0.3
143.05046	0.5
145.02971	100.0
146.03304	4.1
148.05280	0.4
149.02489	0.3
150.03242	0.6
151.04013	0.6
160.01639	0.6
163.04033	5.3
165.05606	0.4
173.06039	0.5
174.03322	0.8
175.04024	0.5
177.05576	0.4
187.04019	0.9
190.32614	0.4
191.07199	0.5
217.05026	0.9
229.54070	0.5
235.05931	0.4
237.05528	0.4
239.07202	0.5
249.05583	0.9
249.39867	0.4
255.06670	0.3
263.07443	0.5
265.05191	0.7
266.05765	0.4
267.06641	1.4
268.07300	0.5
277.04999	0.6
280.07330	0.5
281.08347	0.4
282.09036	0.4
283.09967	0.4
289.07532	0.4
293.04800	0.6
294.05566	0.6
294.09045	0.5
295.06146	0.6
297.11261	0.5
307.08179	2.2
308.06879	0.8
309.07864	1.5
310.08398	0.6
323.09152	2.5
338.08115	2.9
339.08527	0.5
341.10303	1.2
343.11874	0.5
353.10413	6.2
354.10809	0.7
383.11606	0.6
395.11221	0.6
409.46939	0.3
453.12048	0.7
483.12628	0.3
487.14520	1.0
623.23047	0.4
633.18231	2.2
677.20471	0.8
805.23560	0.7
811.24725	3.5
812.24731	0.9
823.24738	5.1
824.24402	1.1
841.24884	0.5
957.10468	0.6
957.28436	7.2
958.28461	2.3
969.28174	3.9
970.27802	1.8
987.28894	1.0
1017.09229	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	988.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78048	1.6
70.78399	1.0
71.67072	0.7
98.21911	0.9
114.04861	0.8
117.03485	45.6
118.03823	2.8
119.05037	9.4
120.05378	1.3
120.17130	0.7
132.02188	4.0
133.02574	1.2
145.02974	100.0
146.03297	9.8
147.03548	1.7
149.02452	0.7
150.03267	1.4
160.01671	8.6
161.02112	3.2
163.04031	8.4
165.05603	2.1
175.04025	6.6
176.04317	4.0
205.05078	1.5
206.89082	0.8
235.06129	0.8
255.06726	0.9
267.07489	0.8
453.11823	1.3
633.18262	2.1
779.22028	15.5
780.22229	2.6
811.24542	0.9
812.23090	0.9
925.25854	21.9
926.26636	5.6
988.28815	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	989.149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.1
70.24043	1.6
71.01376	1.6
75.31421	0.4
75.78452	0.4
79.01899	0.6
83.01410	0.8
85.02954	6.5
90.48787	0.5
93.03509	0.7
95.01398	1.9
97.02966	1.8
98.21913	0.6
99.00889	0.8
101.02440	1.0
101.47393	0.4
105.03402	0.4
107.01402	10.3
107.05067	0.7
108.08289	0.4
111.00896	1.5
113.02428	3.1
119.05032	0.7
121.02978	0.6
121.06620	0.6
121.92397	0.4
123.00900	5.3
123.04546	0.7
124.01648	1.1
125.02460	62.2
126.02806	1.9
129.01915	1.1
133.06615	2.0
135.04533	1.8
136.98837	1.0
137.02454	1.0
139.00432	2.2
140.01158	1.8
141.01912	0.5
145.03012	1.4
146.03864	0.6
149.02454	1.6
149.06133	1.4
151.00397	2.9
151.04025	2.1
155.18565	0.5
159.04521	1.8
161.02475	0.9
161.06122	3.2
162.03185	0.6
162.06444	0.7
163.00378	0.5
163.04002	4.3
164.04382	0.5
165.01918	1.6
166.99834	0.6
167.03560	1.0
168.00659	4.1
169.01439	85.0
170.01762	2.7
173.00873	0.5
173.02396	1.0
175.04002	1.0
177.01965	1.1
177.05554	1.4
179.03473	1.3
187.04056	1.9
188.04468	0.5
189.02011	0.6
190.02715	1.4
191.01988	3.7
191.03494	1.0
193.01434	7.1
194.01761	1.2
201.01988	0.8
203.03497	2.1
204.04202	0.5
205.01448	0.7
205.05080	7.7
206.05365	1.2
211.02441	3.0
217.01468	1.0
219.02980	0.5
221.04553	0.7
223.02534	0.6
229.01413	1.5
231.03108	1.1
235.02538	0.5
237.00403	0.7
245.00774	0.6
247.02437	0.9
249.04092	5.1
250.04457	0.8
253.03371	0.8
257.00983	1.1
271.04559	2.1
273.00485	0.9
275.02023	5.2
293.03180	0.7
295.04510	1.2
298.98465	0.6
300.99911	9.3
302.00403	0.9
313.05722	11.3
331.06772	2.6
337.02026	21.0
338.02319	6.0
339.02496	3.8
463.05286	1.5
465.06760	4.2
483.07870	12.8
484.08047	1.6
540.63660	0.6
585.59979	0.5
593.03937	0.5
633.07495	5.6
634.07629	1.3
635.08936	100.0
636.09302	14.2
636.17505	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	989.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26445	1.2
72.99290	0.9
83.01398	1.5
84.02181	1.5
85.02960	72.3
86.03321	1.7
95.01401	3.6
95.39674	0.8
99.00924	0.8
103.00413	1.4
105.03533	1.3
107.01424	2.7
107.05054	1.3
109.02959	1.6
111.00913	3.2
113.96549	1.0
117.03497	5.8
119.05061	3.1
121.03009	1.1
123.00901	6.1
124.01707	1.1
125.01543	1.3
125.02466	24.9
129.03548	0.9
131.05049	1.5
133.02979	2.1
133.06621	4.0
135.04533	2.7
137.02452	4.2
145.02963	15.5
146.03279	1.0
147.03021	12.7
147.04449	4.3
149.02466	3.0
149.06134	2.4
151.04025	3.0
157.02939	1.6
159.04533	7.4
161.02487	2.2
161.06078	4.9
162.03198	1.4
163.00395	4.1
163.04025	12.9
164.04506	0.9
165.01967	4.0
166.99774	1.3
168.00577	1.3
169.01448	27.1
170.01802	1.7
173.01134	1.0
173.02464	4.0
175.03979	7.0
177.01984	3.8
177.05580	4.4
179.07138	1.1
181.33191	1.0
185.02473	4.8
187.04057	5.7
188.04454	1.1
189.02011	2.6
190.02672	4.3
191.01996	52.1
191.03497	5.4
192.02232	2.1
193.01450	13.8
194.01813	1.1
201.01962	7.5
202.02448	1.9
203.03548	13.3
204.04019	2.0
205.01379	1.5
205.05075	16.2
206.05421	1.6
207.03128	0.9
213.01976	2.6
217.01459	3.2
218.01895	1.0
219.02985	5.3
221.04587	3.1
229.01428	19.0
230.01837	2.5
230.62164	1.0
231.02986	12.6
233.01004	1.4
237.00450	4.1
245.00926	4.7
247.02542	8.7
248.02841	1.9
249.04065	20.7
250.04391	1.4
257.00949	17.0
258.01727	4.6
273.00488	5.7
274.01157	2.9
275.02002	85.7
276.02341	6.3
283.99615	3.1
291.01523	1.6
293.03082	7.5
293.06781	3.5
294.03424	1.1
298.98395	2.5
299.99103	2.9
300.99927	87.3
302.00262	10.1
303.00717	1.5
313.05630	2.6
319.00925	1.8
337.02084	32.1
337.05768	3.6
338.02365	7.1
339.02603	2.9
463.05234	8.6
481.06284	1.3
545.37799	0.9
573.09326	0.9
589.08014	1.2
607.09619	4.8
613.05109	2.6
614.04974	3.9
615.05127	6.9
632.06244	2.1
633.07379	100.0
634.07678	15.6
635.08624	3.2
651.08398	15.6
652.08862	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	991.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24967	0.7
75.99084	0.7
82.73588	0.7
96.29708	0.7
98.21793	1.6
107.31103	0.8
122.35667	0.6
125.02475	1.4
142.64621	0.8
170.69334	0.8
186.51118	0.7
214.07376	0.7
227.03671	1.2
243.03079	3.7
244.03522	0.9
255.03015	9.8
256.03214	1.2
271.02484	25.3
272.02939	2.1
299.02017	7.0
300.02768	69.7
301.03336	5.1
315.05127	58.7
316.05502	3.6
358.11612	0.9
462.07962	1.2
477.10437	100.0
478.10675	10.1
573.35846	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	991.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00296	1.3
93.03495	0.6
98.21880	0.5
117.03480	49.7
118.03824	2.1
118.58589	0.5
119.05037	7.7
119.83996	0.4
132.02174	1.7
133.02972	0.6
134.03777	2.8
135.04532	0.7
143.82428	0.5
145.02971	100.0
146.03322	3.7
149.06116	1.0
160.01666	5.5
161.02466	2.7
163.04044	5.3
175.04045	5.6
176.04510	0.7
177.05658	0.6
179.03563	1.1
184.21645	0.4
187.04060	1.1
191.07143	0.9
193.05083	1.7
217.05067	0.8
235.06129	1.4
246.12555	0.4
274.18933	0.5
445.11301	0.5
453.12173	0.9
663.19128	2.0
791.21619	1.3
809.22968	16.8
810.23499	2.6
955.26733	21.1
956.27368	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	993.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.4
69.05375	0.3
69.55751	1.7
73.17022	0.3
79.05532	0.4
81.14063	0.3
91.05554	0.4
91.22736	0.4
93.03466	0.7
95.01403	0.5
97.43811	0.3
99.00918	0.9
105.03461	1.2
105.07104	1.2
107.05045	1.8
108.14345	0.3
109.02977	0.5
111.00874	0.5
115.05506	0.3
117.03472	1.0
119.05047	2.0
120.44733	0.4
121.03004	1.6
121.06610	2.9
123.00831	0.6
123.04517	1.1
124.01688	0.4
125.02468	0.9
131.05028	0.9
133.03008	0.5
133.06616	7.7
135.04541	4.6
137.02452	2.1
143.05020	1.3
145.02959	3.8
146.03749	1.7
147.04530	0.7
149.02460	4.1
149.06110	3.3
151.02878	0.6
151.04028	7.6
151.07597	0.4
152.04407	0.5
158.03734	0.4
159.04532	5.7
160.05237	1.1
161.02431	1.1
161.06097	12.1
161.07426	0.6
162.03255	3.8
162.06432	0.8
163.04027	19.3
164.01175	0.9
164.04358	0.6
165.02014	1.9
169.01559	0.5
175.04065	2.3
177.01945	1.1
177.05586	5.7
187.04005	9.5
188.04453	0.8
189.01929	0.7
190.02707	4.3
191.03458	1.4
193.01425	19.3
194.01823	0.7
195.02930	0.4
201.01842	0.4
203.03551	3.1
204.04285	0.7
205.05070	25.5
205.94229	0.3
206.05394	1.2
219.03008	1.2
221.04520	1.1
231.03046	1.6
233.00920	1.5
237.00409	2.3
244.36195	0.3
245.00867	0.5
247.02513	0.5
249.04051	17.0
250.04356	0.9
261.00531	0.6
275.02094	2.4
289.94296	0.3
291.01602	0.4
293.03146	3.2
300.99896	3.2
337.02036	100.0
338.02380	7.2
413.92429	0.3
448.58954	0.3
479.04779	0.7
481.06046	0.6
634.58759	0.4
645.13171	0.4
783.05817	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	993.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24564	5.6
83.01392	2.9
85.16812	0.6
93.03463	1.3
107.01389	9.2
109.02988	3.3
119.05024	2.1
121.02964	7.8
125.02458	0.7
135.00894	0.7
139.03999	1.0
143.05013	0.8
151.00380	29.5
157.61723	0.7
161.02426	0.9
163.00362	3.6
165.87939	0.6
169.01425	3.3
178.99875	14.9
183.04752	0.7
187.03903	0.6
193.01529	0.7
200.66226	0.7
211.04163	0.7
227.03519	1.5
229.05090	1.9
242.08179	0.7
245.04518	2.0
255.02977	2.9
271.02530	2.0
273.04120	2.6
283.02524	1.2
300.02750	1.7
301.03561	100.0
302.03857	7.8
345.54071	0.7
583.37848	0.8
599.10474	41.9
600.10742	6.3
812.34869	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	995.6119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05019	4.4
78.95908	9.4
81.33646	0.6
86.67499	0.4
89.56730	0.7
126.32462	0.4
140.01212	2.4
152.99545	1.2
155.26175	0.5
184.78426	0.4
196.03745	0.6
204.16663	0.5
214.04884	2.1
220.02525	0.5
279.23312	100.0
280.23651	7.5
476.27850	44.9
477.28131	4.7
630.82935	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	997.2792
Annotation	Vanicoside A
Peak:m/z	Relative Intensity
71.01376	0.4
71.26629	0.1
85.02967	0.2
87.00866	0.3
89.03978	0.9
93.03467	0.5
95.01379	0.2
97.02973	0.3
113.02509	0.4
116.02731	0.3
116.85487	0.2
117.03481	59.3
118.03812	2.2
119.05041	10.6
119.05915	0.4
120.05419	0.4
121.02996	0.3
123.04596	0.2
125.02516	0.2
126.77422	0.2
132.02182	2.2
133.02991	2.4
134.03769	2.2
135.04585	1.0
137.02357	0.2
140.42134	0.2
143.05070	0.4
145.02969	100.0
146.03296	3.5
147.04530	0.3
149.06041	0.3
158.03740	0.2
159.04546	0.4
160.01671	6.2
161.02467	5.7
161.06104	0.2
162.02882	0.4
163.04033	6.4
171.04660	0.2
173.06114	0.5
175.04015	4.9
176.04761	0.4
177.05563	0.4
178.02707	0.2
179.03513	1.3
185.06169	0.3
187.04144	0.4
191.07161	0.6
193.05072	1.3
217.05107	0.7
229.05341	0.2
235.06165	0.9
289.07364	0.6
295.08270	0.3
307.08160	0.2
319.08362	0.2
323.07611	0.2
337.09393	0.3
372.56595	0.2
412.07669	0.2
453.12033	1.5
525.14337	0.2
599.16986	0.2
624.50555	0.2
645.17743	0.5
657.18152	0.2
663.19623	0.3
675.19415	0.5
687.19226	0.5
705.20190	1.7
706.20801	0.2
785.40723	0.2
791.22125	1.3
803.22192	0.3
809.22632	1.1
821.22986	1.8
822.22473	0.4
833.23523	1.1
834.23773	0.2
851.24164	8.6
852.24280	2.0
937.24988	0.8
955.27277	0.6
997.27753	13.1
998.28040	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	997.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45924	0.8
89.03992	0.6
89.19499	0.3
93.03453	0.5
115.17921	0.3
117.03482	51.7
118.03816	1.1
119.05044	5.9
132.02185	1.3
133.02942	1.0
134.03745	2.0
135.04550	0.9
142.18091	0.3
145.02971	100.0
146.03300	3.5
149.06151	0.5
159.04526	0.3
160.01712	3.1
161.02477	1.8
161.06143	0.5
163.04045	3.9
175.04033	3.0
176.04662	0.5
179.03467	0.6
191.07233	0.5
193.05081	1.0
217.05028	0.5
235.05988	1.1
271.06140	0.5
282.72919	0.4
289.07141	0.4
291.48477	0.3
295.08160	0.7
323.07718	0.4
327.61087	0.3
370.71350	0.4
453.12289	0.6
495.13120	1.1
627.17517	0.4
645.18011	0.9
649.27924	0.3
675.18671	0.4
687.19067	0.5
705.20660	2.4
706.20709	0.4
787.56799	0.3
791.21503	2.4
792.21906	0.5
809.23608	0.6
833.23389	0.5
851.24170	10.4
852.23700	2.0
934.35168	0.5
937.25531	0.9
997.27551	5.5
998.27972	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	999.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
183.90138	13.7
214.94102	11.2
228.94901	12.5
287.54584	11.9
291.19666	41.4
304.48697	10.8
309.20737	100.0
310.21500	14.5
397.13333	30.5
648.11945	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	999.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01032	0.7
71.01388	9.6
72.99280	1.0
73.02939	1.6
75.00211	0.5
76.20983	0.4
81.03453	0.6
83.01376	1.0
84.34412	0.4
85.02960	2.8
87.00881	2.6
89.02454	6.5
95.01419	0.6
95.05007	0.8
96.96011	1.0
97.02953	2.1
97.06599	0.7
98.21753	1.4
98.22469	2.3
99.00867	0.5
100.97467	0.4
101.02455	6.9
103.66147	0.4
108.41073	0.4
109.02927	0.5
109.06583	1.1
113.02462	4.0
119.03521	1.9
123.04529	0.5
123.08101	0.6
125.02470	2.4
125.06065	0.5
125.09724	1.6
131.03494	0.6
143.03510	1.5
148.08920	0.6
151.33867	0.4
153.12836	0.5
161.04559	2.1
162.03360	0.4
162.10556	0.4
163.11314	3.7
165.09192	0.5
165.11589	0.5
165.12871	6.7
166.13043	0.4
171.10286	1.7
177.12860	0.7
179.05632	2.6
179.14439	2.3
181.12334	2.0
182.13054	0.4
185.11772	0.9
193.15976	2.0
197.11888	2.9
209.11771	2.1
211.13350	0.8
219.17628	0.8
221.06647	0.6
223.13448	2.1
225.11707	0.4
235.08223	2.5
247.20705	8.5
248.21004	0.7
273.18652	2.7
289.18259	0.9
291.19690	75.8
292.20053	6.9
293.21234	1.7
305.08652	0.6
305.21179	0.6
307.19171	0.9
309.20746	100.0
310.21085	8.3
323.09814	0.5
325.20309	0.6
344.40906	0.4
351.21906	0.6
379.12415	0.6
397.13550	16.9
398.13821	0.8
415.14636	10.0
416.14981	0.6
638.63831	0.5
689.33319	0.9
981.53436	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	999.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	11.6
72.99296	1.2
73.02937	1.6
73.22424	0.3
83.01379	1.6
85.02957	3.4
87.00880	2.8
89.01955	0.6
89.02455	8.8
95.01403	1.0
95.05036	0.5
96.96023	0.8
97.02953	1.7
97.06598	1.2
99.00871	0.8
99.04511	0.5
101.02451	8.5
109.06568	0.5
111.00870	0.4
111.04565	0.4
111.08143	1.1
113.02458	4.1
113.09740	2.2
115.07660	1.3
119.03469	2.3
123.00885	0.3
123.08167	0.7
125.02440	2.4
125.06071	0.5
131.03484	0.5
137.06206	0.4
139.11311	0.7
141.01903	0.8
141.09239	1.6
143.03500	1.4
151.11157	0.5
153.12897	0.5
153.89313	0.4
155.10762	0.4
161.04565	1.5
163.11238	0.9
163.46518	0.4
165.12834	3.7
167.10765	0.8
167.14404	1.4
179.05632	3.1
179.14551	0.4
181.12326	3.1
183.13885	1.1
188.34076	0.4
193.12361	1.7
193.15967	1.1
195.13910	2.7
197.11790	1.6
200.88872	0.4
211.13432	3.5
213.15012	0.9
217.76472	0.3
218.10962	0.3
221.06641	1.3
221.15517	2.4
225.15201	0.4
227.49217	0.5
228.93457	0.5
229.14450	0.6
235.08272	1.9
237.22247	0.5
240.13643	0.6
241.14438	0.5
245.19133	0.7
247.20676	4.3
253.09361	0.6
255.15947	0.9
263.07687	0.6
263.20236	1.0
265.21606	0.6
273.18619	3.5
281.21118	1.7
287.07727	0.5
289.18051	1.0
291.19690	36.2
292.20123	3.1
292.23227	0.5
305.08731	0.4
307.19159	1.6
309.20731	100.0
310.21060	8.6
311.22284	2.8
363.25470	0.5
397.13535	13.6
398.14099	0.8
415.14545	5.7
583.40326	0.4
653.30359	0.4
689.33936	5.1
690.34149	1.4
707.35095	11.5
708.35217	1.6
722.63910	0.4
857.45612	0.7
930.48676	0.9
931.48383	0.4
963.52997	0.5
981.54266	1.9
999.55359	5.8
1000.55750	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	999.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	9.1
72.99294	0.8
73.02934	1.1
81.03475	0.3
83.01376	1.0
85.02954	2.6
87.00882	1.9
89.02455	6.3
91.89716	0.3
95.01390	0.8
97.02965	1.7
97.06607	0.9
98.21731	0.7
99.00928	0.3
99.05721	0.3
101.02464	6.7
109.06608	0.5
111.08144	0.7
113.02469	3.0
113.09731	0.7
115.07682	0.6
119.03519	2.2
119.70540	0.3
123.00903	0.4
123.04539	0.5
123.08187	0.4
125.02468	2.4
125.06052	0.4
125.09718	0.6
131.03539	0.7
137.09842	0.3
139.11285	0.4
141.01884	0.4
141.09137	0.5
143.03513	1.4
143.04521	0.3
147.82405	0.3
153.12932	0.4
161.04597	1.6
163.11313	1.7
165.12854	4.9
167.10812	0.5
167.14389	1.0
171.10304	0.5
174.20660	0.3
177.12877	0.5
179.05655	2.7
179.14417	0.9
181.12309	1.7
193.12331	0.8
193.15962	1.0
195.13907	1.1
197.11839	1.3
209.11919	0.7
211.13422	1.4
221.06723	1.2
221.15514	1.3
223.13414	1.4
235.08284	1.6
245.19028	0.3
247.20731	5.0
248.20924	0.4
253.09383	0.4
253.59201	0.3
263.07849	0.4
263.20209	0.7
273.18628	2.7
281.21313	0.7
289.18161	0.4
291.19693	50.3
292.20068	4.4
306.07748	0.6
309.20746	100.0
310.21106	7.3
311.22147	0.8
323.09946	0.5
335.14066	0.3
379.12115	0.4
397.13538	13.7
398.13867	1.0
414.02106	0.3
415.14594	7.1
415.88971	0.3
416.15170	0.5
689.34088	2.6
707.34888	3.4
708.35925	0.5
823.88666	0.3
981.53479	0.8
982.54169	0.5
999.55658	1.8
1000.54877	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	999.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01019	1.7
71.01384	13.0
72.99324	0.9
73.02930	0.9
77.69939	0.9
81.90307	0.8
84.97996	0.9
85.02966	2.6
86.66166	0.9
87.00871	2.0
89.02448	7.5
96.96029	2.2
97.03001	1.4
98.21737	2.1
100.08112	0.9
101.02455	6.9
102.94224	1.1
111.08121	1.2
113.02469	3.8
115.07616	1.1
119.03505	3.0
125.02482	2.5
127.11311	0.9
141.09265	1.0
143.03554	2.1
153.12820	1.8
161.04637	1.8
165.12914	2.0
179.05623	4.0
179.14386	1.6
179.31158	1.0
181.12402	2.6
195.13954	1.8
195.25658	0.9
195.65273	0.9
197.11902	1.3
207.13847	1.4
211.13426	1.6
221.06677	1.7
235.08282	1.9
241.14629	1.0
247.20703	3.6
263.20340	1.4
265.21777	1.1
273.18811	2.5
281.21155	0.9
290.63699	1.1
291.19724	31.8
292.20065	3.2
307.19208	1.5
309.20758	100.0
310.21088	8.9
311.22360	2.7
384.00201	1.1
397.13544	15.6
415.14651	6.0
467.32965	1.1
515.27075	1.0
689.33447	4.6
707.35107	11.2
708.34625	1.8
981.54669	1.8
999.55371	5.7
1000.55444	2.4
END